#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2c3u n LYS 3 N 0.00 -0.85 0.00 1.61 5.02 -1.26 -2.23 118.16 120.45 2c3u n LYS 3 Ca 0.00 -0.82 0.00 0.00 -2.02 0.00 0.00 58.31 55.47 2c3u n LYS 3 Cb 0.00 -0.59 0.00 0.00 -0.02 0.00 0.00 35.03 34.42 2c3u n LYS 3 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 2c3u n LYS 4 N -2.33 0.00 -2.84 1.97 4.81 -1.13 -4.82 118.16 113.83 2c3u n LYS 4 Ca 0.07 0.00 -0.35 0.00 -0.87 0.00 0.00 58.31 57.16 2c3u n LYS 4 Cb 0.24 0.00 -0.07 0.00 0.02 0.00 0.00 35.03 35.22 2c3u n LYS 4 CO 0.00 0.00 0.00 -1.64 1.17 0.00 0.00 177.40 176.93 2c3u s MET 5 N 0.00 4.38 -0.14 1.64 -1.94 -1.26 -1.24 119.30 120.73 2c3u s MET 5 Ca 0.00 1.18 -0.28 0.00 -1.71 0.00 0.00 55.69 54.87 2c3u s MET 5 Cb 0.00 -2.52 0.07 0.00 2.01 0.00 0.00 34.83 34.39 2c3u s MET 5 CO 0.00 0.15 0.70 1.41 -0.01 0.00 0.00 175.02 177.27 2c3u s MET 6 N -2.57 0.96 -0.24 2.03 0.00 0.14 -4.93 119.30 114.69 2c3u s MET 6 Ca 0.55 0.58 -0.00 0.00 0.00 0.00 0.00 55.69 56.82 2c3u s MET 6 Cb -0.14 0.46 0.03 0.00 0.00 0.00 0.00 34.83 35.18 2c3u s MET 6 CO 0.19 -0.23 -0.09 0.95 0.00 0.00 0.00 175.02 175.83 2c3u s THR 7 N -0.51 2.58 0.00 10.11 -4.23 -1.26 0.55 115.64 122.87 2c3u s THR 7 Ca -0.06 -1.17 0.00 0.00 -1.18 0.00 0.00 61.69 59.28 2c3u s THR 7 Cb -0.02 -2.33 0.00 0.00 1.34 0.00 0.00 72.50 71.49 2c3u s THR 7 CO 0.06 0.19 0.00 0.35 -0.54 0.00 0.00 174.62 174.68 2c3u n THR 8 N 4.60 0.00 -3.90 3.99 -2.24 -0.78 -4.90 114.28 111.05 2c3u n THR 8 Ca -0.17 0.00 -0.25 0.00 -2.27 0.00 0.00 64.05 61.36 2c3u n THR 8 Cb 0.46 0.00 -0.03 0.00 -2.10 0.00 0.00 70.33 68.67 2c3u n THR 8 CO 0.00 0.00 0.00 1.51 -0.57 0.00 0.00 175.07 176.01 2c3u s ASP 9 N -0.82 4.65 0.28 3.42 3.84 -1.25 -0.79 116.67 125.99 2c3u s ASP 9 Ca 0.00 -1.14 0.00 0.00 -0.00 0.00 0.00 52.55 51.41 2c3u s ASP 9 Cb 0.00 0.08 0.52 0.00 -1.38 0.00 0.00 42.92 42.14 2c3u s ASP 9 CO 0.00 -0.91 1.84 1.23 -0.00 0.00 0.00 175.17 177.32 2c3u h GLY 10 N 0.94 1.59 0.55 2.12 0.00 -1.24 0.91 103.07 107.94 2c3u h GLY 10 Ca -0.39 -0.42 -0.03 0.00 0.00 0.00 0.00 47.33 46.50 2c3u h GLY 10 CO 0.60 0.18 -0.27 3.43 0.00 0.00 0.00 176.54 180.47 2c3u h ASN 11 N 0.99 -0.65 -0.50 0.19 -0.26 -1.74 -0.52 115.58 113.09 2c3u h ASN 11 Ca 0.48 0.02 0.00 0.00 -0.56 0.00 0.00 56.30 56.25 2c3u h ASN 11 Cb 0.44 0.17 -0.03 0.00 -1.06 0.00 0.00 38.32 37.84 2c3u h ASN 11 CO -0.25 -0.46 0.33 0.71 -1.06 0.00 0.00 177.43 176.70 2c3u h THR 12 N -0.75 1.13 -0.75 2.81 1.35 -1.83 0.21 112.91 115.08 2c3u h THR 12 Ca -0.08 -0.24 -0.02 0.00 -0.55 0.00 0.00 66.41 65.52 2c3u h THR 12 Cb 0.58 0.39 -0.04 0.00 -1.73 0.00 0.00 68.15 67.35 2c3u h THR 12 CO 0.12 0.13 0.37 0.00 -0.25 0.00 0.00 175.52 175.89 2c3u h ALA 13 N 1.68 1.24 0.13 6.62 0.00 -0.71 -0.90 119.26 127.32 2c3u h ALA 13 Ca 0.18 -0.14 -0.29 0.00 0.00 0.00 0.00 54.91 54.66 2c3u h ALA 13 Cb -0.08 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 17.41 2c3u h ALA 13 CO -0.04 0.59 -1.40 1.79 0.00 0.00 0.00 179.25 180.19 2c3u h THR 14 N 1.06 1.31 0.00 0.00 1.35 0.28 -3.22 112.91 113.70 2c3u h THR 14 Ca 0.26 -2.91 -0.01 0.00 -0.55 0.00 0.00 66.41 63.20 2c3u h THR 14 Cb 0.09 2.85 -0.00 0.00 -1.73 0.00 0.00 68.15 69.36 2c3u h THR 14 CO -0.04 0.85 -0.07 0.00 -0.25 0.00 0.00 175.52 176.01 2c3u h ALA 15 N 0.52 1.19 -0.23 6.62 0.00 -0.48 -0.56 119.26 126.32 2c3u h ALA 15 Ca -0.20 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 54.65 2c3u h ALA 15 Cb 2.00 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 19.77 2c3u h ALA 15 CO 0.18 0.09 0.13 1.25 0.00 0.00 0.00 179.25 180.90 2c3u h HIS 16 N 0.00 0.31 -0.02 0.00 6.17 -1.17 -1.85 115.15 118.58 2c3u h HIS 16 Ca -0.00 -0.00 -0.11 0.00 0.71 0.00 0.00 60.37 60.97 2c3u h HIS 16 Cb 0.28 -0.10 0.01 0.00 2.52 0.00 0.00 27.41 30.12 2c3u h HIS 16 CO 0.00 0.25 -0.40 0.28 0.71 0.00 0.00 177.93 178.77 2c3u h VAL 17 N 0.28 1.47 -0.84 5.26 2.07 -1.46 -3.22 116.25 119.81 2c3u h VAL 17 Ca 0.08 -1.93 0.10 0.00 0.82 0.00 0.00 66.70 65.77 2c3u h VAL 17 Cb 0.03 2.58 -0.08 0.00 -1.52 0.00 0.00 31.29 32.30 2c3u h VAL 17 CO -0.01 0.55 0.48 0.00 0.02 0.00 0.00 177.57 178.60 2c3u h ALA 18 N 0.33 1.21 -0.21 1.67 0.00 -1.10 -0.99 119.26 120.17 2c3u h ALA 18 Ca -0.04 0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 2c3u h ALA 18 Cb 1.11 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.76 2c3u h ALA 18 CO 0.08 0.09 0.11 -0.92 0.00 0.00 0.00 179.25 178.61 2c3u h TYR 19 N 0.79 0.29 -0.87 0.00 3.20 -1.44 -2.38 116.97 116.56 2c3u h TYR 19 Ca 0.41 -0.01 0.02 0.00 3.14 0.00 0.00 58.73 62.29 2c3u h TYR 19 Cb 0.41 -0.09 -0.05 0.00 1.54 0.00 0.00 36.73 38.54 2c3u h TYR 19 CO -0.06 0.27 0.57 0.00 -1.64 0.00 0.00 178.16 177.30 2c3u h ALA 20 N 0.99 1.12 -0.01 1.82 0.00 -1.34 -3.10 119.26 118.74 2c3u h ALA 20 Ca 0.07 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.93 2c3u h ALA 20 Cb 0.08 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 17.54 2c3u h ALA 20 CO -0.01 0.46 -0.03 -1.33 0.00 0.00 0.00 179.25 178.34 2c3u n MET 21 N -4.51 1.58 -4.39 0.00 2.81 -0.46 -1.33 117.12 110.83 2c3u n MET 21 Ca 0.10 -0.93 -0.29 0.00 -1.81 0.00 0.00 57.70 54.78 2c3u n MET 21 Cb 0.05 -1.48 -0.13 0.00 -0.71 0.00 0.00 33.22 30.95 2c3u n MET 21 CO 0.00 0.00 0.00 -1.12 1.51 0.00 0.00 175.97 176.36 2c3u s SER 22 N -2.05 3.39 -0.18 7.83 0.01 -0.91 -4.83 113.70 116.95 2c3u s SER 22 Ca 0.36 -0.75 0.17 0.00 1.31 0.00 0.00 55.95 57.05 2c3u s SER 22 Cb 0.21 -0.25 -0.24 0.00 0.21 0.00 0.00 66.02 65.94 2c3u s SER 22 CO 0.35 0.17 0.09 -0.62 0.41 0.00 0.00 173.24 173.64 2c3u n GLU 23 N 0.82 0.84 -4.07 12.44 1.02 -0.46 -4.81 120.64 126.43 2c3u n GLU 23 Ca -0.17 -0.02 -0.13 0.00 -0.02 0.00 0.00 57.16 56.82 2c3u n GLU 23 Cb 0.53 -1.49 -0.12 0.00 -0.02 0.00 0.00 31.44 30.34 2c3u n GLU 23 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 2c3u s VAL 24 N -2.52 0.42 -0.04 2.62 1.01 -0.63 -1.78 120.40 119.48 2c3u s VAL 24 Ca -0.09 -0.77 -0.02 0.00 0.00 0.00 0.00 61.98 61.09 2c3u s VAL 24 Cb 0.06 -0.46 0.03 0.00 0.00 0.00 0.00 36.38 36.01 2c3u s VAL 24 CO 0.79 -0.25 0.07 0.00 0.00 0.00 0.00 175.10 175.72 2c3u s ALA 25 N -0.99 0.10 -0.27 5.51 0.00 -0.34 -1.74 121.76 124.04 2c3u s ALA 25 Ca -0.07 0.31 -0.08 0.00 0.00 0.00 0.00 51.96 52.11 2c3u s ALA 25 Cb -0.07 -0.56 -0.02 0.00 0.00 0.00 0.00 23.12 22.47 2c3u s ALA 25 CO 0.00 -0.39 0.11 0.00 0.00 0.00 0.00 175.76 175.47 2c3u s ALA 26 N 1.88 3.23 0.23 0.00 0.00 -1.17 -2.01 121.76 123.91 2c3u s ALA 26 Ca 0.01 -1.20 0.11 0.00 0.00 0.00 0.00 51.96 50.88 2c3u s ALA 26 Cb -0.12 -2.21 -0.05 0.00 0.00 0.00 0.00 23.12 20.75 2c3u s ALA 26 CO -0.04 -0.61 -0.21 0.42 0.00 0.00 0.00 175.76 175.32 2c3u s ILE 27 N 1.63 2.31 -0.22 0.00 1.09 0.11 -4.57 121.20 121.56 2c3u s ILE 27 Ca 0.06 -2.18 -0.15 0.00 -1.10 0.00 0.00 60.65 57.27 2c3u s ILE 27 Cb -0.16 -2.16 0.06 0.00 -1.06 0.00 0.00 42.46 39.15 2c3u s ILE 27 CO 0.05 -0.28 0.55 -0.47 -0.10 0.00 0.00 174.94 174.69 2c3u s TYR 28 N -2.12 -0.74 0.09 3.97 5.04 -1.26 -0.65 117.35 121.68 2c3u s TYR 28 Ca 0.24 1.61 -0.30 0.00 -2.44 0.00 0.00 57.07 56.18 2c3u s TYR 28 Cb -0.06 0.35 -0.05 0.00 0.35 0.00 0.00 41.96 42.54 2c3u s TYR 28 CO 0.11 -0.37 0.97 -1.25 -1.34 0.00 0.00 175.55 173.66 2c3u s PRO 29 N 1.01 4.67 -0.23 4.97 0.04 -1.26 -4.86 135.00 139.34 2c3u s PRO 29 Ca -0.06 1.45 -0.14 0.00 0.04 0.00 0.00 61.00 62.29 2c3u s PRO 29 Cb -0.06 -3.39 0.07 0.00 0.04 0.00 0.00 34.50 31.16 2c3u s PRO 29 CO -0.09 0.17 0.56 -1.50 0.04 0.00 0.00 177.00 176.17 2c3u s ILE 30 N 0.18 -0.01 0.32 0.56 2.07 -1.26 -4.99 121.20 118.06 2c3u s ILE 30 Ca 0.48 0.04 -0.29 0.00 -1.41 0.00 0.00 60.65 59.47 2c3u s ILE 30 Cb -0.23 -0.81 -0.10 0.00 0.13 0.00 0.00 42.46 41.45 2c3u s ILE 30 CO 0.30 0.02 1.22 -0.89 -1.91 0.00 0.00 174.94 173.67 2c3u s THR 31 N 1.35 3.02 -0.54 4.00 2.01 -1.26 -0.46 115.64 123.76 2c3u s THR 31 Ca -0.08 1.02 0.13 0.00 0.31 0.00 0.00 61.69 63.07 2c3u s THR 31 Cb -0.06 -3.65 0.70 0.00 0.01 0.00 0.00 72.50 69.50 2c3u s THR 31 CO -0.14 0.23 1.58 -0.81 -0.69 0.00 0.00 174.62 174.79 2c3u n PRO 32 N 0.89 4.19 0.06 4.92 -0.04 -1.26 -4.87 135.00 138.88 2c3u n PRO 32 Ca -0.00 -2.71 0.12 0.00 -0.04 0.00 0.00 63.50 60.88 2c3u n PRO 32 Cb 0.43 -2.09 0.26 0.00 -0.04 0.00 0.00 33.50 32.06 2c3u n PRO 32 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 2c3u n SER 33 N 0.65 0.65 -0.32 3.54 3.41 0.39 -4.42 113.62 117.53 2c3u n SER 33 Ca 0.24 0.19 0.14 0.00 -0.26 0.00 0.00 58.87 59.18 2c3u n SER 33 Cb 1.02 -0.07 0.30 0.00 -0.26 0.00 0.00 64.21 65.20 2c3u n SER 33 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 2c3u h SER 34 N 0.00 -0.28 -1.01 4.04 0.02 -1.68 -1.08 113.55 113.56 2c3u h SER 34 Ca 0.00 0.25 0.25 0.00 -0.84 0.00 0.00 61.79 61.45 2c3u h SER 34 Cb 0.69 0.40 -0.09 0.00 0.14 0.00 0.00 62.40 63.55 2c3u h SER 34 CO 0.00 -0.29 0.65 0.74 -1.14 0.00 0.00 176.83 176.79 2c3u h THR 35 N 0.07 0.57 0.26 -2.27 2.02 -1.90 -2.20 112.91 109.46 2c3u h THR 35 Ca 0.58 -0.14 -0.01 0.00 0.77 0.00 0.00 66.41 67.61 2c3u h THR 35 Cb 1.22 0.13 0.00 0.00 -1.74 0.00 0.00 68.15 67.76 2c3u h THR 35 CO -0.81 0.07 -0.13 0.24 0.37 0.00 0.00 175.52 175.26 2c3u h MET 36 N 0.40 -0.34 -0.62 6.66 2.86 -1.50 -0.34 114.93 122.05 2c3u h MET 36 Ca 0.56 0.02 -0.02 0.00 -2.06 0.00 0.00 59.70 58.21 2c3u h MET 36 Cb 1.41 0.08 -0.03 0.00 0.06 0.00 0.00 31.60 33.12 2c3u h MET 36 CO -0.26 -0.13 0.32 0.78 1.06 0.00 0.00 176.91 178.68 2c3u h GLY 37 N -0.49 0.92 1.28 8.32 0.00 -1.58 -1.81 103.07 109.70 2c3u h GLY 37 Ca -0.04 -0.41 -0.14 0.00 0.00 0.00 0.00 47.33 46.74 2c3u h GLY 37 CO 0.06 0.40 -0.34 0.83 0.00 0.00 0.00 176.54 177.48 2c3u h GLU 38 N 0.86 0.80 -0.56 4.80 5.08 -1.20 -1.73 114.58 122.64 2c3u h GLU 38 Ca 0.22 -0.39 -0.04 0.00 -1.00 0.00 0.00 59.36 58.14 2c3u h GLU 38 Cb 0.05 -0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.28 2c3u h GLU 38 CO -0.03 1.02 0.18 0.93 -1.00 0.00 0.00 179.01 180.10 2c3u h GLU 39 N 0.67 0.87 -0.59 2.33 4.39 -0.70 -0.68 114.58 120.88 2c3u h GLU 39 Ca 0.07 -0.19 0.02 0.00 0.34 0.00 0.00 59.36 59.60 2c3u h GLU 39 Cb 0.89 -0.13 -0.04 0.00 -0.10 0.00 0.00 28.75 29.38 2c3u h GLU 39 CO 0.08 0.79 0.36 0.00 -1.16 0.00 0.00 179.01 179.08 2c3u h ALA 40 N 1.04 0.76 -0.47 3.43 0.00 -1.13 0.14 119.26 123.03 2c3u h ALA 40 Ca 0.18 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 55.03 2c3u h ALA 40 Cb 0.28 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 2c3u h ALA 40 CO -0.01 0.10 0.14 0.22 0.00 0.00 0.00 179.25 179.71 2c3u h ASP 41 N 0.72 0.68 -0.42 0.00 1.82 -1.07 -0.25 116.42 117.90 2c3u h ASP 41 Ca 0.23 -0.21 0.01 0.00 -0.39 0.00 0.00 57.03 56.67 2c3u h ASP 41 Cb 0.01 -0.18 -0.02 0.00 0.68 0.00 0.00 39.33 39.81 2c3u h ASP 41 CO -0.09 0.71 0.27 0.44 -1.61 0.00 0.00 179.24 178.96 2c3u h ASP 42 N 0.62 0.46 -0.69 2.28 5.19 -0.39 -1.74 116.42 122.15 2c3u h ASP 42 Ca 0.15 -0.01 -0.06 0.00 -0.62 0.00 0.00 57.03 56.49 2c3u h ASP 42 Cb 0.27 -0.11 -0.03 0.00 0.18 0.00 0.00 39.33 39.64 2c3u h ASP 42 CO -0.00 0.33 0.19 -0.50 -3.12 0.00 0.00 179.24 176.14 2c3u h TRP 43 N 0.55 1.15 -0.69 4.55 6.55 -0.50 -1.40 115.95 126.17 2c3u h TRP 43 Ca 0.16 -0.13 -0.01 0.00 0.95 0.00 0.00 58.89 59.86 2c3u h TRP 43 Cb -0.04 -0.33 -0.03 0.00 -0.86 0.00 0.00 29.16 27.89 2c3u h TRP 43 CO -0.05 0.93 0.40 0.00 -1.05 0.00 0.00 178.44 178.66 2c3u h ALA 44 N 1.14 0.88 -0.21 1.49 0.00 -0.70 -0.45 119.26 121.40 2c3u h ALA 44 Ca 0.22 -0.10 -0.10 0.00 0.00 0.00 0.00 54.91 54.94 2c3u h ALA 44 Cb 0.34 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 2c3u h ALA 44 CO -0.00 0.37 -0.30 0.00 0.00 0.00 0.00 179.25 179.32 2c3u h ALA 45 N 1.20 1.09 0.00 0.00 0.00 -0.97 -2.60 119.26 117.98 2c3u h ALA 45 Ca 0.24 -0.36 0.00 0.00 0.00 0.00 0.00 54.91 54.79 2c3u h ALA 45 Cb 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.68 2c3u h ALA 45 CO -0.04 0.57 0.00 1.04 0.00 0.00 0.00 179.25 180.81 2c3u n GLN 46 N -4.10 0.12 0.00 0.00 6.02 -0.56 -4.89 117.38 113.97 2c3u n GLN 46 Ca -0.01 0.23 0.00 0.00 -0.01 0.00 0.00 57.00 57.21 2c3u n GLN 46 Cb 0.43 -1.68 0.00 0.00 1.02 0.00 0.00 30.24 30.01 2c3u n GLN 46 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2c3u n GLY 47 N 0.69 1.04 3.74 1.08 0.00 -0.91 -5.06 105.19 105.77 2c3u n GLY 47 Ca 0.04 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.65 2c3u n GLY 47 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2c3u s ARG 48 N -0.59 4.22 0.04 1.61 3.52 -0.23 -4.93 118.95 122.60 2c3u s ARG 48 Ca 0.00 2.37 0.02 0.00 -0.13 0.00 0.00 55.73 57.99 2c3u s ARG 48 Cb 0.00 -3.11 -0.04 0.00 -1.56 0.00 0.00 34.95 30.24 2c3u s ARG 48 CO 0.00 -0.52 0.08 0.15 -0.81 0.00 0.00 175.30 174.21 2c3u s LYS 49 N 0.06 2.98 0.00 5.12 -0.14 -1.26 -4.19 119.74 122.30 2c3u s LYS 49 Ca 0.63 -0.60 0.00 0.00 -1.36 0.00 0.00 55.97 54.65 2c3u s LYS 49 Cb -0.44 -2.79 0.00 0.00 -1.68 0.00 0.00 37.83 32.92 2c3u s LYS 49 CO 0.40 0.60 0.00 0.27 -0.76 0.00 0.00 175.35 175.87 2c3u n ASN 50 N 0.75 0.00 0.04 2.83 0.23 0.18 -4.81 115.26 114.48 2c3u n ASN 50 Ca -0.10 -0.89 0.06 0.00 -0.53 0.00 0.00 54.58 53.12 2c3u n ASN 50 Cb 0.52 0.00 0.27 0.00 -2.08 0.00 0.00 39.78 38.49 2c3u n ASN 50 CO 0.00 0.00 0.00 2.30 -0.93 0.00 0.00 177.26 178.63 2c3u n ILE 51 N -1.47 1.28 0.12 1.53 -5.35 -0.44 -1.00 119.36 114.03 2c3u n ILE 51 Ca 0.00 0.37 0.12 0.00 -0.27 0.00 0.00 62.75 62.97 2c3u n ILE 51 Cb 0.00 -1.25 0.26 0.00 -1.74 0.00 0.00 39.64 36.90 2c3u n ILE 51 CO 0.00 0.00 0.00 0.49 -1.76 0.00 0.00 176.55 175.28 2c3u n PHE 52 N -1.69 0.66 -1.14 4.28 3.01 -1.26 -4.93 117.46 116.38 2c3u n PHE 52 Ca 0.02 -0.33 -0.05 0.00 1.01 0.00 0.00 57.45 58.10 2c3u n PHE 52 Cb 0.11 0.00 -0.02 0.00 -0.01 0.00 0.00 39.48 39.56 2c3u n PHE 52 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2c3u n GLY 53 N 1.56 0.75 3.55 1.37 0.00 -0.17 -5.03 105.19 107.22 2c3u n GLY 53 Ca 0.21 -0.85 -0.25 0.00 0.00 0.00 0.00 46.02 45.13 2c3u n GLY 53 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2c3u s GLN 54 N -2.41 1.98 0.27 1.61 -1.52 -1.26 -4.75 119.66 113.58 2c3u s GLN 54 Ca 0.00 -1.46 -0.25 0.00 -1.95 0.00 0.00 55.36 51.70 2c3u s GLN 54 Cb 0.00 -2.03 -0.09 0.00 -0.22 0.00 0.00 33.01 30.67 2c3u s GLN 54 CO 0.00 0.38 0.88 0.95 -0.25 0.00 0.00 175.29 177.26 2c3u s THR 55 N -2.08 4.27 0.40 -0.19 -4.23 -1.26 0.51 115.64 113.07 2c3u s THR 55 Ca 0.28 1.76 -0.26 0.00 -1.18 0.00 0.00 61.69 62.28 2c3u s THR 55 Cb -0.07 -4.05 -0.09 0.00 1.34 0.00 0.00 72.50 69.63 2c3u s THR 55 CO 0.16 0.26 1.34 -0.22 -0.54 0.00 0.00 174.62 175.62 2c3u s LEU 56 N -1.78 4.22 -0.50 4.79 2.96 -1.26 -4.93 118.68 122.19 2c3u s LEU 56 Ca 0.45 2.73 -0.17 0.00 -0.22 0.00 0.00 54.13 56.93 2c3u s LEU 56 Cb -0.20 -3.87 0.07 0.00 0.50 0.00 0.00 46.19 42.69 2c3u s LEU 56 CO 0.25 -0.88 0.52 -0.89 -1.32 0.00 0.00 176.35 174.03 2c3u s THR 57 N -1.23 5.06 -0.07 3.68 2.01 -0.73 -4.92 115.64 119.43 2c3u s THR 57 Ca 0.57 -0.84 0.03 0.00 0.31 0.00 0.00 61.69 61.76 2c3u s THR 57 Cb -0.40 -4.23 -0.02 0.00 0.01 0.00 0.00 72.50 67.86 2c3u s THR 57 CO 0.52 -0.72 -0.16 -0.63 -0.69 0.00 0.00 174.62 172.93 2c3u s ILE 58 N 2.12 2.83 0.02 1.82 1.09 -1.26 -1.19 121.20 126.62 2c3u s ILE 58 Ca 0.09 -0.79 0.01 0.00 -1.10 0.00 0.00 60.65 58.87 2c3u s ILE 58 Cb -0.22 -2.12 -0.01 0.00 -1.06 0.00 0.00 42.46 39.05 2c3u s ILE 58 CO 0.09 0.57 -0.04 -0.13 -0.10 0.00 0.00 174.94 175.32 2c3u s ARG 59 N -0.29 0.34 -0.17 2.79 1.81 -0.85 -5.00 118.95 117.57 2c3u s ARG 59 Ca 0.02 -0.43 -0.08 0.00 -1.72 0.00 0.00 55.73 53.51 2c3u s ARG 59 Cb -0.13 -0.16 -0.05 0.00 -0.45 0.00 0.00 34.95 34.16 2c3u s ARG 59 CO 0.03 0.03 0.11 -2.00 -0.68 0.00 0.00 175.30 172.79 2c3u s GLU 60 N -0.88 3.94 0.29 3.54 2.12 -1.26 -0.71 118.70 125.74 2c3u s GLU 60 Ca -0.07 -0.24 0.03 0.00 0.36 0.00 0.00 54.97 55.06 2c3u s GLU 60 Cb -0.06 -3.30 0.05 0.00 0.26 0.00 0.00 34.13 31.08 2c3u s GLU 60 CO -0.00 0.41 0.40 -1.33 -0.54 0.00 0.00 175.26 174.20 2c3u n MET 61 N 3.15 0.68 0.09 4.30 2.81 0.18 -4.92 117.12 123.41 2c3u n MET 61 Ca -0.17 -1.43 0.12 0.00 -1.81 0.00 0.00 57.70 54.41 2c3u n MET 61 Cb 0.53 -0.16 0.23 0.00 -0.71 0.00 0.00 33.22 33.11 2c3u n MET 61 CO 0.00 0.00 0.00 -0.56 1.51 0.00 0.00 175.97 176.92 2c3u h GLN 62 N 0.00 0.00 -1.99 0.03 -0.00 -1.91 -3.46 115.11 107.77 2c3u h GLN 62 Ca -0.14 0.00 0.25 0.00 -0.00 0.00 0.00 58.65 58.76 2c3u h GLN 62 Cb 0.59 0.00 -0.09 0.00 -0.00 0.00 0.00 27.48 27.98 2c3u h GLN 62 CO 0.18 0.00 0.66 -1.54 -0.00 0.00 0.00 178.83 178.13 2c3u s SER 63 N -4.56 -0.09 0.44 0.06 1.04 -1.26 -2.38 113.70 106.94 2c3u s SER 63 Ca 0.07 -0.32 0.21 0.00 0.48 0.00 0.00 55.95 56.39 2c3u s SER 63 Cb 0.12 0.34 1.01 0.00 0.10 0.00 0.00 66.02 67.59 2c3u s SER 63 CO 0.68 -0.64 1.90 -0.33 0.98 0.00 0.00 173.24 175.84 2c3u h GLU 64 N 2.00 0.00 -0.41 4.02 3.07 -1.93 -0.49 114.58 120.84 2c3u h GLU 64 Ca -0.27 0.00 -0.06 0.00 -0.50 0.00 0.00 59.36 58.53 2c3u h GLU 64 Cb 1.22 0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 29.11 2c3u h GLU 64 CO 0.28 0.26 0.03 0.00 -1.40 0.00 0.00 179.01 178.18 2c3u h ALA 65 N 1.74 0.55 -0.70 3.43 0.00 -1.86 0.58 119.26 123.00 2c3u h ALA 65 Ca -0.00 -0.24 -0.04 0.00 0.00 0.00 0.00 54.91 54.63 2c3u h ALA 65 Cb 0.59 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.19 2c3u h ALA 65 CO 0.03 0.30 0.28 0.78 0.00 0.00 0.00 179.25 180.65 2c3u h GLY 66 N 0.54 1.11 0.91 0.00 0.00 -1.69 -2.22 103.07 101.72 2c3u h GLY 66 Ca 0.12 -0.58 -0.08 0.00 0.00 0.00 0.00 47.33 46.78 2c3u h GLY 66 CO 0.02 0.55 -0.13 0.00 0.00 0.00 0.00 176.54 176.97 2c3u h ALA 67 N 1.29 0.42 -0.55 3.60 0.00 -0.70 -2.42 119.26 120.89 2c3u h ALA 67 Ca 0.24 -0.32 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 2c3u h ALA 67 Cb 0.19 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.85 2c3u h ALA 67 CO -0.02 0.30 0.32 0.00 0.00 0.00 0.00 179.25 179.85 2c3u h ALA 68 N 0.76 1.53 -0.43 0.00 0.00 -0.71 0.92 119.26 121.32 2c3u h ALA 68 Ca 0.07 -0.07 -0.14 0.00 0.00 0.00 0.00 54.91 54.76 2c3u h ALA 68 Cb 0.65 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 2c3u h ALA 68 CO 0.04 0.41 -0.28 0.78 0.00 0.00 0.00 179.25 180.20 2c3u h GLY 69 N 0.81 1.03 1.51 0.00 0.00 -1.27 -1.48 103.07 103.66 2c3u h GLY 69 Ca 0.20 -0.97 -0.11 0.00 0.00 0.00 0.00 47.33 46.44 2c3u h GLY 69 CO -0.04 0.88 -0.29 0.00 0.00 0.00 0.00 176.54 177.10 2c3u h ALA 70 N 0.82 0.98 -0.36 3.60 0.00 -0.88 -0.57 119.26 122.84 2c3u h ALA 70 Ca 0.09 -0.38 -0.02 0.00 0.00 0.00 0.00 54.91 54.60 2c3u h ALA 70 Cb 0.87 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.52 2c3u h ALA 70 CO 0.08 0.60 0.15 0.28 0.00 0.00 0.00 179.25 180.36 2c3u h VAL 71 N 0.49 1.18 -0.74 0.00 2.07 -0.69 0.18 116.25 118.74 2c3u h VAL 71 Ca 0.06 -0.55 0.00 0.00 0.82 0.00 0.00 66.70 67.03 2c3u h VAL 71 Cb 0.75 0.88 -0.04 0.00 -1.52 0.00 0.00 31.29 31.37 2c3u h VAL 71 CO 0.06 0.20 0.47 -0.74 0.02 0.00 0.00 177.57 177.58 2c3u h HIS 72 N 0.43 0.95 -0.37 1.57 6.17 -0.99 -1.69 115.15 121.22 2c3u h HIS 72 Ca 0.12 0.01 -0.02 0.00 0.71 0.00 0.00 60.37 61.19 2c3u h HIS 72 Cb 0.17 -0.32 -0.02 0.00 2.52 0.00 0.00 27.41 29.77 2c3u h HIS 72 CO -0.01 0.62 0.14 0.78 0.71 0.00 0.00 177.93 180.17 2c3u h GLY 73 N 1.01 0.60 1.05 5.26 0.00 -0.49 -0.05 103.07 110.45 2c3u h GLY 73 Ca 0.27 -0.34 -0.05 0.00 0.00 0.00 0.00 47.33 47.21 2c3u h GLY 73 CO -0.05 0.32 0.28 0.00 0.00 0.00 0.00 176.54 177.08 2c3u h ALA 74 N 0.98 1.01 -0.26 3.60 0.00 -0.75 -0.58 119.26 123.26 2c3u h ALA 74 Ca 0.12 -0.21 -0.10 0.00 0.00 0.00 0.00 54.91 54.73 2c3u h ALA 74 Cb 0.21 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 17.69 2c3u h ALA 74 CO -0.01 0.67 -0.21 -0.07 0.00 0.00 0.00 179.25 179.62 2c3u h LEU 75 N 1.14 0.63 -1.71 0.00 3.38 -1.15 -1.41 115.31 116.20 2c3u h LEU 75 Ca 0.26 -0.46 -0.01 0.00 0.09 0.00 0.00 57.88 57.76 2c3u h LEU 75 Cb 0.26 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.82 2c3u h LEU 75 CO -0.02 0.96 0.07 0.00 0.09 0.00 0.00 178.44 179.54 2c3u h ALA 76 N 0.70 1.77 -0.34 1.53 0.00 -0.79 -1.94 119.26 120.20 2c3u h ALA 76 Ca 0.05 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 2c3u h ALA 76 Cb 0.76 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.46 2c3u h ALA 76 CO 0.06 0.19 0.01 0.00 0.00 0.00 0.00 179.25 179.50 2c3u n ALA 77 N -2.50 3.33 -1.26 0.00 0.00 -0.24 -0.97 120.51 118.86 2c3u n ALA 77 Ca -0.00 -1.11 0.00 0.00 0.00 0.00 0.00 53.44 52.33 2c3u n ALA 77 Cb 0.12 -1.08 0.00 0.00 0.00 0.00 0.00 19.45 18.49 2c3u n ALA 77 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2c3u n GLY 78 N 0.33 0.44 3.23 0.00 0.00 -0.73 -4.75 105.19 103.72 2c3u n GLY 78 Ca 0.16 -0.96 -0.30 0.00 0.00 0.00 0.00 46.02 44.93 2c3u n GLY 78 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2c3u s ALA 79 N -2.00 1.96 0.21 4.61 0.00 -0.57 -4.75 121.76 121.22 2c3u s ALA 79 Ca 0.00 -0.94 -0.30 0.00 0.00 0.00 0.00 51.96 50.71 2c3u s ALA 79 Cb 0.00 -0.60 -0.10 0.00 0.00 0.00 0.00 23.12 22.42 2c3u s ALA 79 CO 0.00 0.39 1.43 -0.51 0.00 0.00 0.00 175.76 177.06 2c3u s LEU 80 N -0.16 4.39 0.02 0.00 1.43 -1.26 -3.88 118.68 119.21 2c3u s LEU 80 Ca -0.02 2.57 0.00 0.00 -1.03 0.00 0.00 54.13 55.65 2c3u s LEU 80 Cb -0.12 -3.61 -0.02 0.00 0.03 0.00 0.00 46.19 42.47 2c3u s LEU 80 CO 0.03 -0.68 -0.03 -0.89 0.23 0.00 0.00 176.35 175.01 2c3u s THR 81 N 0.32 0.13 0.35 5.49 2.01 -1.26 -1.35 115.64 121.33 2c3u s THR 81 Ca 0.61 -0.83 0.05 0.00 0.31 0.00 0.00 61.69 61.83 2c3u s THR 81 Cb -0.40 -0.26 -0.03 0.00 0.01 0.00 0.00 72.50 71.82 2c3u s THR 81 CO 0.39 -0.44 0.18 0.42 -0.69 0.00 0.00 174.62 174.48 2c3u s THR 82 N -1.31 0.34 0.08 -0.82 -4.23 -0.71 -2.69 115.64 106.30 2c3u s THR 82 Ca -0.14 -2.00 -0.26 0.00 -1.18 0.00 0.00 61.69 58.11 2c3u s THR 82 Cb -0.09 -2.44 0.08 0.00 1.34 0.00 0.00 72.50 71.39 2c3u s THR 82 CO -0.01 0.00 0.78 0.28 -0.54 0.00 0.00 174.62 175.13 2c3u s THR 83 N -3.41 0.00 -0.06 3.99 -1.32 -1.20 -3.06 115.64 110.57 2c3u s THR 83 Ca 0.32 -0.08 0.03 0.00 -1.21 0.00 0.00 61.69 60.76 2c3u s THR 83 Cb 0.03 -1.10 0.01 0.00 -1.51 0.00 0.00 72.50 69.93 2c3u s THR 83 CO 0.19 0.00 -0.14 -0.36 -2.21 0.00 0.00 174.62 172.10 2c3u s PHE 84 N -3.39 1.57 0.12 9.09 0.40 -1.26 -1.79 117.98 122.71 2c3u s PHE 84 Ca 0.04 -0.53 -0.04 0.00 -0.60 0.00 0.00 56.93 55.80 2c3u s PHE 84 Cb -0.01 -1.11 0.02 0.00 0.51 0.00 0.00 43.02 42.43 2c3u s PHE 84 CO -0.09 -0.23 0.22 -2.37 0.70 0.00 0.00 175.22 173.45 2c3u n THR 85 N 3.52 0.00 -3.65 0.64 5.66 -0.89 -4.64 114.28 114.92 2c3u n THR 85 Ca -0.21 -0.34 -0.01 0.00 -3.05 0.00 0.00 64.05 60.45 2c3u n THR 85 Cb 0.52 0.30 -0.01 0.00 -1.55 0.00 0.00 70.33 69.60 2c3u n THR 85 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2c3u s ALA 86 N -1.43 -2.05 0.00 1.79 0.00 -1.26 -2.34 121.76 116.47 2c3u s ALA 86 Ca 0.05 0.65 0.00 0.00 0.00 0.00 0.00 51.96 52.66 2c3u s ALA 86 Cb -0.01 0.39 0.00 0.00 0.00 0.00 0.00 23.12 23.50 2c3u s ALA 86 CO 0.04 -0.99 0.00 0.45 0.00 0.00 0.00 175.76 175.26 2c3u n SER 87 N -0.44 0.00 -0.21 0.00 2.88 -1.25 0.78 113.62 115.37 2c3u n SER 87 Ca -0.07 0.00 0.18 0.00 -1.33 0.00 0.00 58.87 57.65 2c3u n SER 87 Cb 0.62 0.00 0.51 0.00 -0.75 0.00 0.00 64.21 64.59 2c3u n SER 87 CO 0.00 0.00 0.00 1.56 -1.23 0.00 0.00 175.04 175.37 2c3u h GLN 88 N 0.00 0.39 -0.28 -1.46 1.08 -1.88 -1.50 115.11 111.46 2c3u h GLN 88 Ca 0.00 -0.02 -0.03 0.00 -1.45 0.00 0.00 58.65 57.15 2c3u h GLN 88 Cb 0.00 -0.09 -0.01 0.00 -0.05 0.00 0.00 27.48 27.33 2c3u h GLN 88 CO 0.00 0.26 0.07 0.78 -0.95 0.00 0.00 178.83 178.99 2c3u h GLY 89 N 0.40 0.49 1.16 3.46 0.00 -0.05 -2.76 103.07 105.76 2c3u h GLY 89 Ca 0.43 -0.31 -0.04 0.00 0.00 0.00 0.00 47.33 47.41 2c3u h GLY 89 CO -0.15 0.29 0.30 -2.00 0.00 0.00 0.00 176.54 174.98 2c3u h LEU 90 N 0.29 0.98 -0.95 3.11 5.85 -0.11 -2.35 115.31 122.13 2c3u h LEU 90 Ca 0.09 -0.14 0.09 0.00 0.84 0.00 0.00 57.88 58.76 2c3u h LEU 90 Cb 0.29 -0.25 -0.07 0.00 0.37 0.00 0.00 40.66 41.00 2c3u h LEU 90 CO 0.00 0.87 0.59 -0.07 -0.34 0.00 0.00 178.44 179.49 2c3u h LEU 91 N 1.05 0.90 -1.37 2.25 3.38 -1.22 0.33 115.31 120.63 2c3u h LEU 91 Ca 0.25 0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.25 2c3u h LEU 91 Cb 0.19 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 40.78 2c3u h LEU 91 CO -0.02 0.53 0.00 -0.07 0.09 0.00 0.00 178.44 178.97 2c3u h LEU 92 N 1.01 0.00 0.00 1.67 3.38 -1.15 -2.61 115.31 117.61 2c3u h LEU 92 Ca 0.44 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.41 2c3u h LEU 92 Cb 0.31 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.06 2c3u h LEU 92 CO -0.22 0.00 -0.94 0.23 0.09 0.00 0.00 178.44 177.60 2c3u n MET 93 N -2.67 0.52 -0.37 1.13 2.81 0.07 -4.14 117.12 114.48 2c3u n MET 93 Ca 0.00 0.11 0.00 0.00 -1.81 0.00 0.00 57.70 56.00 2c3u n MET 93 Cb 0.21 -1.78 0.06 0.00 -0.71 0.00 0.00 33.22 31.00 2c3u n MET 93 CO 0.00 0.00 0.00 -0.89 1.51 0.00 0.00 175.97 176.59 2c3u n ILE 94 N -2.52 -0.50 -0.34 2.02 2.08 -0.99 -0.71 119.36 118.41 2c3u n ILE 94 Ca 0.01 2.28 0.03 0.00 0.56 0.00 0.00 62.75 65.63 2c3u n ILE 94 Cb 0.52 -3.04 0.18 0.00 -0.75 0.00 0.00 39.64 36.56 2c3u n ILE 94 CO 0.00 0.00 0.00 -0.65 0.56 0.00 0.00 176.55 176.46 2c3u h PRO 95 N 0.00 0.99 0.00 0.38 0.11 -1.81 -1.03 132.00 130.64 2c3u h PRO 95 Ca 0.36 -0.06 -0.07 0.00 0.11 0.00 0.00 66.00 66.34 2c3u h PRO 95 Cb 0.61 -0.22 -0.01 0.00 0.11 0.00 0.00 31.00 31.48 2c3u h PRO 95 CO -0.98 0.65 -0.35 -0.91 -0.21 0.00 0.00 178.00 176.20 2c3u h ASN 96 N 1.02 0.00 -0.69 -2.05 2.35 -1.21 -3.15 115.58 111.85 2c3u h ASN 96 Ca 0.43 0.00 -0.06 0.00 -0.55 0.00 0.00 56.30 56.12 2c3u h ASN 96 Cb 0.29 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 38.63 2c3u h ASN 96 CO -0.21 0.35 0.20 0.24 -1.65 0.00 0.00 177.43 176.37 2c3u h MET 97 N 0.00 1.08 -0.91 0.81 2.86 0.23 0.24 114.93 119.25 2c3u h MET 97 Ca -0.00 -0.24 0.01 0.00 -2.06 0.00 0.00 59.70 57.40 2c3u h MET 97 Cb 1.05 -0.15 -0.05 0.00 0.06 0.00 0.00 31.60 32.51 2c3u h MET 97 CO 0.05 0.94 0.60 1.88 1.06 0.00 0.00 176.91 181.44 2c3u h TYR 98 N 1.02 1.15 -0.47 -0.22 -1.99 -1.46 -1.20 116.97 113.81 2c3u h TYR 98 Ca 0.22 0.02 -0.11 0.00 2.00 0.00 0.00 58.73 60.86 2c3u h TYR 98 Cb 0.32 -0.39 -0.01 0.00 2.00 0.00 0.00 36.73 38.65 2c3u h TYR 98 CO 0.02 0.73 -0.14 0.87 -0.00 0.00 0.00 178.16 179.65 2c3u h LYS 99 N 1.24 0.92 -0.25 4.88 1.79 -1.38 0.30 116.57 124.08 2c3u h LYS 99 Ca 0.33 -0.36 -0.12 0.00 -2.18 0.00 0.00 60.65 58.32 2c3u h LYS 99 Cb -0.13 -0.05 -0.01 0.00 -1.58 0.00 0.00 32.23 30.46 2c3u h LYS 99 CO -0.07 1.02 -0.35 0.82 -1.08 0.00 0.00 179.45 179.79 2c3u h ILE 100 N 0.77 1.29 0.18 1.86 2.04 -0.09 -0.30 117.51 123.26 2c3u h ILE 100 Ca 0.12 -1.48 -0.33 0.00 1.00 0.00 0.00 64.86 64.17 2c3u h ILE 100 Cb 0.69 1.48 0.01 0.00 -0.74 0.00 0.00 36.82 38.27 2c3u h ILE 100 CO 0.05 0.47 -1.59 0.77 0.00 0.00 0.00 178.15 177.85 2c3u h SER 101 N 0.46 0.59 -0.58 1.72 4.64 -1.24 -1.99 113.55 117.15 2c3u h SER 101 Ca 0.05 -0.77 0.07 0.00 -0.47 0.00 0.00 61.79 60.66 2c3u h SER 101 Cb 0.83 -0.19 -0.03 0.00 -0.31 0.00 0.00 62.40 62.69 2c3u h SER 101 CO 0.07 1.64 0.39 1.23 -0.87 0.00 0.00 176.83 179.28 2c3u h GLY 102 N 0.93 0.67 -3.12 -0.77 0.00 -0.30 -0.39 103.07 100.09 2c3u h GLY 102 Ca -0.28 -0.21 0.00 0.00 0.00 0.00 0.00 47.33 46.84 2c3u h GLY 102 CO 0.20 0.16 0.00 1.18 0.00 0.00 0.00 176.54 178.08 2c3u n GLU 103 N -4.48 4.17 -4.08 4.80 1.02 -0.13 -4.97 120.64 116.96 2c3u n GLU 103 Ca 0.08 -2.70 -0.46 0.00 -0.02 0.00 0.00 57.16 54.06 2c3u n GLU 103 Cb 0.26 -2.09 0.02 0.00 -0.02 0.00 0.00 31.44 29.61 2c3u n GLU 103 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 2c3u n LEU 104 N 0.66 -0.28 -4.65 -4.62 4.77 -0.15 -4.96 117.00 107.77 2c3u n LEU 104 Ca 0.24 -1.30 -0.35 0.00 -0.03 0.00 0.00 56.01 54.57 2c3u n LEU 104 Cb 1.01 -1.63 -0.10 0.00 -2.33 0.00 0.00 43.42 40.38 2c3u n LEU 104 CO 0.27 0.80 -0.29 -0.76 -1.33 0.00 0.00 177.39 176.08 2c3u s LEU 105 N -7.46 3.63 0.00 2.23 1.43 -0.75 -4.71 118.68 113.04 2c3u s LEU 105 Ca 0.48 0.11 -0.01 0.00 -1.03 0.00 0.00 54.13 53.67 2c3u s LEU 105 Cb -0.26 -1.86 -0.05 0.00 0.03 0.00 0.00 46.19 44.04 2c3u s LEU 105 CO 0.97 0.30 1.57 -0.81 0.23 0.00 0.00 176.35 178.61 2c3u n PRO 106 N 2.68 0.79 -2.06 1.29 -0.04 -1.26 -2.63 135.00 133.76 2c3u n PRO 106 Ca -0.18 -0.19 -0.31 0.00 -0.04 0.00 0.00 63.50 62.78 2c3u n PRO 106 Cb 0.53 -1.39 -0.00 0.00 -0.04 0.00 0.00 33.50 32.60 2c3u n PRO 106 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 2c3u s GLY 107 N 2.13 1.84 -0.06 0.55 0.00 -1.26 -4.66 107.32 105.85 2c3u s GLY 107 Ca 0.13 0.05 -0.00 0.00 0.00 0.00 0.00 44.72 44.89 2c3u s GLY 107 CO 0.00 0.32 -0.01 0.14 0.00 0.00 0.00 173.10 173.55 2c3u s VAL 108 N -2.93 0.43 -0.15 1.40 1.01 -1.09 -0.93 120.40 118.13 2c3u s VAL 108 Ca 0.57 0.03 -0.04 0.00 0.00 0.00 0.00 61.98 62.54 2c3u s VAL 108 Cb -0.11 -0.53 -0.03 0.00 0.00 0.00 0.00 36.38 35.71 2c3u s VAL 108 CO 0.45 0.24 -0.03 -0.36 0.00 0.00 0.00 175.10 175.40 2c3u s PHE 109 N 1.57 3.05 -0.21 5.22 2.99 0.07 -3.25 117.98 127.41 2c3u s PHE 109 Ca -0.01 -0.24 -0.06 0.00 0.00 0.00 0.00 56.93 56.62 2c3u s PHE 109 Cb -0.13 -1.96 -0.03 0.00 0.00 0.00 0.00 43.02 40.90 2c3u s PHE 109 CO -0.03 0.01 0.02 -1.01 -0.00 0.00 0.00 175.22 174.20 2c3u s HIS 110 N 0.30 3.06 -0.00 0.36 3.76 -0.74 -0.63 115.29 121.41 2c3u s HIS 110 Ca -0.03 -0.41 0.05 0.00 -0.15 0.00 0.00 55.06 54.52 2c3u s HIS 110 Cb -0.14 -2.11 -0.01 0.00 1.11 0.00 0.00 32.58 31.42 2c3u s HIS 110 CO 0.03 -0.23 -0.15 0.14 -0.85 0.00 0.00 174.74 173.68 2c3u s VAL 111 N 1.07 1.15 -0.53 -0.90 -7.23 0.22 -2.10 120.40 112.08 2c3u s VAL 111 Ca 0.03 -0.70 -0.20 0.00 -1.81 0.00 0.00 61.98 59.29 2c3u s VAL 111 Cb -0.14 -0.98 0.06 0.00 0.56 0.00 0.00 36.38 35.88 2c3u s VAL 111 CO 0.02 0.27 0.72 0.42 -0.31 0.00 0.00 175.10 176.21 2c3u s THR 112 N -0.44 4.74 -0.09 5.32 -4.23 -0.99 -1.96 115.64 117.99 2c3u s THR 112 Ca 0.05 -0.38 -0.33 0.00 -1.18 0.00 0.00 61.69 59.85 2c3u s THR 112 Cb -0.06 -4.39 -0.10 0.00 1.34 0.00 0.00 72.50 69.29 2c3u s THR 112 CO -0.00 -0.94 1.96 0.00 -0.54 0.00 0.00 174.62 175.10 2c3u n ALA 113 N 6.53 1.16 -2.78 3.99 0.00 0.76 -4.49 120.51 125.68 2c3u n ALA 113 Ca -0.05 0.19 -0.15 0.00 0.00 0.00 0.00 53.44 53.43 2c3u n ALA 113 Cb 0.45 -2.59 -0.13 0.00 0.00 0.00 0.00 19.45 17.18 2c3u n ALA 113 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 2c3u s ARG 114 N 4.56 0.51 0.52 0.00 3.52 -1.00 -0.34 118.95 126.71 2c3u s ARG 114 Ca 0.94 -0.42 -0.20 0.00 -0.13 0.00 0.00 55.73 55.92 2c3u s ARG 114 Cb -0.60 -0.43 -0.09 0.00 -1.56 0.00 0.00 34.95 32.27 2c3u s ARG 114 CO 0.48 0.11 0.76 0.00 -0.81 0.00 0.00 175.30 175.83 2c3u n ALA 115 N 2.40 -0.54 -2.76 6.12 0.00 -0.28 -3.65 120.51 121.79 2c3u n ALA 115 Ca -0.16 0.08 -0.35 0.00 0.00 0.00 0.00 53.44 53.01 2c3u n ALA 115 Cb 0.57 -1.95 -0.05 0.00 0.00 0.00 0.00 19.45 18.01 2c3u n ALA 115 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 2c3u s ILE 116 N -1.52 5.31 -0.06 0.00 -1.09 -1.26 -4.68 121.20 117.90 2c3u s ILE 116 Ca 0.68 0.16 -0.30 0.00 -2.23 0.00 0.00 60.65 58.96 2c3u s ILE 116 Cb -0.49 -3.57 -0.03 0.00 -1.58 0.00 0.00 42.46 36.79 2c3u s ILE 116 CO 0.54 0.36 1.24 0.00 -1.23 0.00 0.00 174.94 175.85 2c3u s ALA 117 N -1.30 3.53 0.00 9.38 0.00 -1.26 -4.77 121.76 127.34 2c3u s ALA 117 Ca 0.27 0.65 0.00 0.00 0.00 0.00 0.00 51.96 52.88 2c3u s ALA 117 Cb -0.13 -3.54 0.00 0.00 0.00 0.00 0.00 23.12 19.45 2c3u s ALA 117 CO 0.16 -0.83 0.00 0.00 0.00 0.00 0.00 175.76 175.09 2c3u n ALA 118 N 5.38 0.26 0.27 0.00 0.00 -1.26 -4.87 120.51 120.30 2c3u n ALA 118 Ca 0.12 0.00 0.15 0.00 0.00 0.00 0.00 53.44 53.71 2c3u n ALA 118 Cb 0.46 0.00 0.74 0.00 0.00 0.00 0.00 19.45 20.65 2c3u n ALA 118 CO 0.00 0.00 0.00 1.12 0.00 0.00 0.00 177.50 178.62 2c3u h HIS 119 N 0.00 0.00 -2.97 0.00 2.07 -1.90 -3.45 115.15 108.90 2c3u h HIS 119 Ca 0.00 0.00 0.04 0.00 -2.85 0.00 0.00 60.37 57.56 2c3u h HIS 119 Cb 0.00 0.00 -0.08 0.00 2.57 0.00 0.00 27.41 29.90 2c3u h HIS 119 CO 0.00 0.08 0.23 0.00 -3.07 0.00 0.00 177.93 175.17 2c3u s ALA 120 N -3.91 -1.37 0.14 6.11 0.00 -1.26 -4.33 121.76 117.13 2c3u s ALA 120 Ca -0.01 -0.01 -0.06 0.00 0.00 0.00 0.00 51.96 51.88 2c3u s ALA 120 Cb 0.11 0.85 -0.06 0.00 0.00 0.00 0.00 23.12 24.03 2c3u s ALA 120 CO 0.55 -0.94 0.40 -1.17 0.00 0.00 0.00 175.76 174.60 2c3u s LEU 121 N -2.86 4.27 -0.13 0.00 0.20 -1.26 -4.29 118.68 114.61 2c3u s LEU 121 Ca 0.07 0.67 -0.07 0.00 0.69 0.00 0.00 54.13 55.49 2c3u s LEU 121 Cb -0.04 -3.28 0.05 0.00 -0.43 0.00 0.00 46.19 42.49 2c3u s LEU 121 CO -0.00 0.07 0.31 -0.55 -0.29 0.00 0.00 176.35 175.88 2c3u s SER 122 N -2.27 -0.35 0.00 3.68 0.15 -1.26 -5.01 113.70 108.64 2c3u s SER 122 Ca 0.40 0.66 0.27 0.00 0.70 0.00 0.00 55.95 57.98 2c3u s SER 122 Cb -0.12 0.55 0.93 0.00 -1.71 0.00 0.00 66.02 65.66 2c3u s SER 122 CO 0.23 -0.17 1.67 2.30 1.20 0.00 0.00 173.24 178.47 2c3u n ILE 123 N 4.17 0.00 -2.24 6.45 -5.35 -1.26 -4.37 119.36 116.75 2c3u n ILE 123 Ca -0.24 -0.25 -0.25 0.00 -0.27 0.00 0.00 62.75 61.73 2c3u n ILE 123 Cb 0.54 0.58 0.07 0.00 -1.74 0.00 0.00 39.64 39.09 2c3u n ILE 123 CO 0.00 0.00 0.00 -0.36 -1.76 0.00 0.00 176.55 174.43 2c3u s PHE 124 N -2.07 2.86 0.04 4.28 0.08 -1.26 -4.40 117.98 117.50 2c3u s PHE 124 Ca 0.35 0.38 -0.29 0.00 0.12 0.00 0.00 56.93 57.49 2c3u s PHE 124 Cb 0.21 -3.17 -0.04 0.00 -0.57 0.00 0.00 43.02 39.44 2c3u s PHE 124 CO 0.36 -1.39 0.93 0.20 -0.10 0.00 0.00 175.22 175.22 2c3u s GLY 125 N -4.52 2.91 0.08 4.36 0.00 -1.19 -1.13 107.32 107.83 2c3u s GLY 125 Ca 0.60 0.50 -0.26 0.00 0.00 0.00 0.00 44.72 45.56 2c3u s GLY 125 CO 0.44 1.50 1.15 0.51 0.00 0.00 0.00 173.10 176.70 2c3u s ASP 126 N 0.49 -0.03 -0.15 1.64 3.84 -1.09 0.31 116.67 121.67 2c3u s ASP 126 Ca 0.47 -0.38 0.15 0.00 -0.00 0.00 0.00 52.55 52.79 2c3u s ASP 126 Cb -0.22 0.32 0.71 0.00 -1.38 0.00 0.00 42.92 42.35 2c3u s ASP 126 CO 0.27 -0.63 1.60 1.41 -0.00 0.00 0.00 175.17 177.83 2c3u n HIS 127 N -0.68 1.62 -0.01 2.11 8.25 -0.35 -2.38 115.22 123.78 2c3u n HIS 127 Ca -0.03 -0.60 0.04 0.00 -0.26 0.00 0.00 57.72 56.87 2c3u n HIS 127 Cb 0.60 -0.34 0.41 0.00 1.12 0.00 0.00 29.99 31.79 2c3u n HIS 127 CO 0.00 0.00 0.00 1.96 0.64 0.00 0.00 176.34 178.94 2c3u h GLN 128 N 3.75 0.56 0.05 -0.41 4.20 -1.80 -2.14 115.11 119.32 2c3u h GLN 128 Ca 0.00 -0.03 -0.00 0.00 0.06 0.00 0.00 58.65 58.67 2c3u h GLN 128 Cb 1.58 -0.13 0.00 0.00 0.30 0.00 0.00 27.48 29.23 2c3u h GLN 128 CO 0.32 0.37 -0.03 0.38 -0.67 0.00 0.00 178.83 179.21 2c3u h ASP 129 N 0.58 -0.06 -0.56 1.46 -0.00 -1.78 -2.99 116.42 113.07 2c3u h ASP 129 Ca 0.16 -0.56 0.00 0.00 -0.00 0.00 0.00 57.03 56.63 2c3u h ASP 129 Cb -0.06 0.02 -0.03 0.00 -0.00 0.00 0.00 39.33 39.26 2c3u h ASP 129 CO -0.03 0.65 0.36 0.16 -0.00 0.00 0.00 179.24 180.38 2c3u h ILE 130 N -0.91 1.15 0.00 4.15 -0.00 -1.86 -0.84 117.51 119.20 2c3u h ILE 130 Ca -0.01 -0.29 -0.05 0.00 -0.00 0.00 0.00 64.86 64.51 2c3u h ILE 130 Cb 0.62 0.33 -0.01 0.00 -0.00 0.00 0.00 36.82 37.76 2c3u h ILE 130 CO 0.01 0.15 -0.23 1.88 -0.00 0.00 0.00 178.15 179.96 2c3u h TYR 131 N 0.76 0.00 0.00 0.16 0.99 -1.49 -1.62 116.97 115.77 2c3u h TYR 131 Ca 0.20 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.93 2c3u h TYR 131 Cb -0.07 0.00 0.00 0.00 1.00 0.00 0.00 36.73 37.66 2c3u h TYR 131 CO 0.00 0.23 0.00 0.00 -0.00 0.00 0.00 178.16 178.39 2c3u h ALA 132 N 1.77 1.00 -0.32 3.88 0.00 -0.99 -2.63 119.26 121.97 2c3u h ALA 132 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2c3u h ALA 132 Cb 0.52 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.31 2c3u h ALA 132 CO 0.03 0.00 0.00 0.00 0.00 0.00 0.00 179.25 179.28 2c3u n ALA 133 N -1.94 2.25 0.24 0.00 0.00 -0.62 -4.65 120.51 115.78 2c3u n ALA 133 Ca 0.00 -1.26 0.15 0.00 0.00 0.00 0.00 53.44 52.34 2c3u n ALA 133 Cb 0.21 -0.44 0.81 0.00 0.00 0.00 0.00 19.45 20.03 2c3u n ALA 133 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 177.50 177.57 2c3u h ARG 134 N 1.89 0.00 -0.54 0.00 0.11 -1.35 -2.27 114.38 112.22 2c3u h ARG 134 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 2c3u h ARG 134 Cb 0.79 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.87 2c3u h ARG 134 CO 0.02 0.00 0.00 0.00 0.10 0.00 0.00 179.97 180.09 2c3u n GLN 135 N -2.56 2.87 0.04 0.08 0.00 -1.26 -4.47 117.38 112.08 2c3u n GLN 135 Ca -0.02 -2.41 0.13 0.00 0.00 0.00 0.00 57.00 54.70 2c3u n GLN 135 Cb 0.06 -1.46 0.54 0.00 0.00 0.00 0.00 30.24 29.37 2c3u n GLN 135 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.06 177.31 2c3u n THR 136 N 1.05 0.24 -0.12 -0.39 -2.24 -0.85 -4.90 114.28 107.06 2c3u n THR 136 Ca 0.19 -0.09 0.00 0.00 -2.27 0.00 0.00 64.05 61.87 2c3u n THR 136 Cb 0.56 -0.55 0.00 0.00 -2.10 0.00 0.00 70.33 68.24 2c3u n THR 136 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2c3u n GLY 137 N 1.38 0.66 3.81 3.38 0.00 -1.26 -4.03 105.19 109.13 2c3u n GLY 137 Ca 0.06 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.74 2c3u n GLY 137 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2c3u s PHE 138 N -2.18 3.29 0.42 1.61 0.40 -1.26 -4.73 117.98 115.53 2c3u s PHE 138 Ca 0.00 1.63 -0.22 0.00 -0.60 0.00 0.00 56.93 57.75 2c3u s PHE 138 Cb 0.00 -2.93 -0.11 0.00 0.51 0.00 0.00 43.02 40.49 2c3u s PHE 138 CO 0.00 -0.27 0.96 0.00 0.70 0.00 0.00 175.22 176.61 2c3u s ALA 139 N -2.00 3.04 -0.13 5.36 0.00 0.30 -4.79 121.76 123.54 2c3u s ALA 139 Ca 0.61 0.44 -0.00 0.00 0.00 0.00 0.00 51.96 53.01 2c3u s ALA 139 Cb -0.13 -3.17 0.03 0.00 0.00 0.00 0.00 23.12 19.85 2c3u s ALA 139 CO 0.17 0.08 -0.07 -1.64 0.00 0.00 0.00 175.76 174.31 2c3u s MET 140 N -3.05 1.51 -0.12 0.00 -1.94 0.13 -0.05 119.30 115.77 2c3u s MET 140 Ca 0.61 -0.32 0.03 0.00 -1.71 0.00 0.00 55.69 54.30 2c3u s MET 140 Cb -0.11 -1.69 0.01 0.00 2.01 0.00 0.00 34.83 35.04 2c3u s MET 140 CO 0.15 -0.31 -0.23 -1.17 -0.01 0.00 0.00 175.02 173.46 2c3u s LEU 141 N 1.69 2.11 -0.09 -0.03 0.20 -0.68 -0.95 118.68 120.93 2c3u s LEU 141 Ca 0.04 -0.58 -0.05 0.00 0.69 0.00 0.00 54.13 54.23 2c3u s LEU 141 Cb -0.13 -1.43 -0.04 0.00 -0.43 0.00 0.00 46.19 44.16 2c3u s LEU 141 CO -0.08 0.11 0.11 0.00 -0.29 0.00 0.00 176.35 176.21 2c3u s ALA 142 N 0.62 3.75 -0.04 5.97 0.00 0.80 -1.71 121.76 131.15 2c3u s ALA 142 Ca -0.12 -0.71 0.05 0.00 0.00 0.00 0.00 51.96 51.19 2c3u s ALA 142 Cb -0.17 -1.83 -0.02 0.00 0.00 0.00 0.00 23.12 21.10 2c3u s ALA 142 CO 0.03 0.64 -0.19 -1.54 0.00 0.00 0.00 175.76 174.69 2c3u s SER 143 N -1.18 3.62 -0.06 0.00 1.04 -0.62 -4.73 113.70 111.78 2c3u s SER 143 Ca 0.17 -0.31 0.13 0.00 0.48 0.00 0.00 55.95 56.42 2c3u s SER 143 Cb -0.12 -0.65 0.42 0.00 0.10 0.00 0.00 66.02 65.77 2c3u s SER 143 CO 0.06 0.33 1.35 -1.54 0.98 0.00 0.00 173.24 174.43 2c3u n SER 144 N 2.38 3.40 -3.64 7.02 3.41 -1.26 -4.47 113.62 120.45 2c3u n SER 144 Ca -0.17 -2.30 -0.06 0.00 -0.26 0.00 0.00 58.87 56.09 2c3u n SER 144 Cb 0.52 -0.36 -0.02 0.00 -0.26 0.00 0.00 64.21 64.09 2c3u n SER 144 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 2c3u s SER 145 N -1.22 -0.26 0.19 4.04 1.04 -1.26 -3.82 113.70 112.41 2c3u s SER 145 Ca 0.32 -0.22 -0.13 0.00 0.48 0.00 0.00 55.95 56.40 2c3u s SER 145 Cb 0.20 0.44 0.18 0.00 0.10 0.00 0.00 66.02 66.94 2c3u s SER 145 CO 0.16 -0.77 1.74 0.58 0.98 0.00 0.00 173.24 175.93 2c3u h VAL 146 N 2.00 0.81 -0.53 5.02 2.07 -1.91 0.33 116.25 124.03 2c3u h VAL 146 Ca -0.23 -0.12 -0.01 0.00 0.82 0.00 0.00 66.70 67.16 2c3u h VAL 146 Cb 1.24 0.44 -0.03 0.00 -1.52 0.00 0.00 31.29 31.42 2c3u h VAL 146 CO 0.28 0.06 0.30 -0.61 0.02 0.00 0.00 177.57 177.63 2c3u h GLN 147 N 0.34 0.74 -0.34 1.57 5.75 -1.95 -2.74 115.11 118.48 2c3u h GLN 147 Ca 0.24 -0.08 -0.07 0.00 -0.15 0.00 0.00 58.65 58.60 2c3u h GLN 147 Cb 0.27 -0.15 -0.02 0.00 1.07 0.00 0.00 27.48 28.65 2c3u h GLN 147 CO -0.26 0.56 -0.08 0.93 -2.65 0.00 0.00 178.83 177.33 2c3u h GLU 148 N 0.72 0.57 -0.91 1.69 5.08 -1.69 -2.70 114.58 117.33 2c3u h GLU 148 Ca 0.19 -0.16 0.06 0.00 -1.00 0.00 0.00 59.36 58.46 2c3u h GLU 148 Cb 0.02 -0.06 -0.06 0.00 0.50 0.00 0.00 28.75 29.15 2c3u h GLU 148 CO -0.03 0.66 0.58 0.00 -1.00 0.00 0.00 179.01 179.21 2c3u h ALA 149 N 1.38 1.27 -0.22 3.43 0.00 -0.08 0.16 119.26 125.20 2c3u h ALA 149 Ca 0.10 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.97 2c3u h ALA 149 Cb 0.47 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 2c3u h ALA 149 CO 0.03 0.34 0.04 1.25 0.00 0.00 0.00 179.25 180.90 2c3u h HIS 150 N 1.05 0.39 -0.22 0.00 -0.00 -1.39 -2.00 115.15 112.97 2c3u h HIS 150 Ca 0.40 -0.05 -0.04 0.00 -0.00 0.00 0.00 60.37 60.68 2c3u h HIS 150 Cb 0.18 -0.11 -0.01 0.00 -0.00 0.00 0.00 27.41 27.47 2c3u h HIS 150 CO -0.02 0.49 -0.01 -0.44 -0.00 0.00 0.00 177.93 177.95 2c3u h ASP 151 N 0.17 0.39 0.18 3.26 3.32 -1.10 -2.87 116.42 119.77 2c3u h ASP 151 Ca 0.07 -0.32 -0.08 0.00 0.02 0.00 0.00 57.03 56.71 2c3u h ASP 151 Cb 0.31 -0.10 -0.01 0.00 0.22 0.00 0.00 39.33 39.74 2c3u h ASP 151 CO 0.00 0.61 -0.32 0.24 -1.72 0.00 0.00 179.24 178.06 2c3u h MET 152 N 0.15 0.21 -0.59 3.56 2.86 -0.76 -1.27 114.93 119.08 2c3u h MET 152 Ca 0.06 -0.08 -0.06 0.00 -2.06 0.00 0.00 59.70 57.56 2c3u h MET 152 Cb 0.42 -0.01 -0.03 0.00 0.06 0.00 0.00 31.60 32.04 2c3u h MET 152 CO 0.01 0.51 0.11 0.00 1.06 0.00 0.00 176.91 178.61 2c3u h ALA 153 N 1.49 1.08 -0.23 6.32 0.00 -1.30 0.74 119.26 127.37 2c3u h ALA 153 Ca 0.03 -0.24 -0.09 0.00 0.00 0.00 0.00 54.91 54.61 2c3u h ALA 153 Cb 0.65 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 18.21 2c3u h ALA 153 CO 0.05 0.60 -0.20 1.25 0.00 0.00 0.00 179.25 180.95 2c3u h LEU 154 N 0.90 0.57 -0.65 0.00 6.46 -1.22 -2.57 115.31 118.80 2c3u h LEU 154 Ca 0.19 -0.46 -0.01 0.00 -0.12 0.00 0.00 57.88 57.47 2c3u h LEU 154 Cb 0.37 -0.16 -0.03 0.00 -0.73 0.00 0.00 40.66 40.11 2c3u h LEU 154 CO 0.01 0.91 0.36 0.58 -0.62 0.00 0.00 178.44 179.68 2c3u h VAL 155 N 0.23 1.20 -0.16 1.05 2.07 -0.99 -2.38 116.25 117.27 2c3u h VAL 155 Ca 0.04 -0.49 0.02 0.00 0.82 0.00 0.00 66.70 67.09 2c3u h VAL 155 Cb 0.74 0.35 -0.02 0.00 -1.52 0.00 0.00 31.29 30.84 2c3u h VAL 155 CO 0.05 0.22 0.05 0.00 0.02 0.00 0.00 177.57 177.90 2c3u h ALA 156 N 1.18 0.17 -0.09 1.67 0.00 -0.79 0.48 119.26 121.88 2c3u h ALA 156 Ca 0.23 0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.16 2c3u h ALA 156 Cb 0.02 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 17.83 2c3u h ALA 156 CO -0.04 -0.39 0.05 0.45 0.00 0.00 0.00 179.25 179.32 2c3u h HIS 157 N 0.12 0.13 -0.45 0.00 -0.00 -1.38 -0.37 115.15 113.20 2c3u h HIS 157 Ca 0.07 -0.00 -0.00 0.00 -0.00 0.00 0.00 60.37 60.43 2c3u h HIS 157 Cb 0.05 -0.04 -0.02 0.00 -0.00 0.00 0.00 27.41 27.40 2c3u h HIS 157 CO -0.12 0.17 0.26 -0.07 -0.00 0.00 0.00 177.93 178.18 2c3u h LEU 158 N 0.05 0.54 -0.79 2.43 3.38 -1.25 -1.70 115.31 117.98 2c3u h LEU 158 Ca 0.03 -0.06 -0.08 0.00 0.09 0.00 0.00 57.88 57.86 2c3u h LEU 158 Cb 0.08 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.67 2c3u h LEU 158 CO -0.00 0.45 0.07 0.00 0.09 0.00 0.00 178.44 179.05 2c3u h ALA 159 N 1.12 0.99 -0.38 1.53 0.00 -0.80 -2.37 119.26 119.35 2c3u h ALA 159 Ca 0.16 -0.27 -0.00 0.00 0.00 0.00 0.00 54.91 54.80 2c3u h ALA 159 Cb 0.01 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.55 2c3u h ALA 159 CO -0.03 0.63 0.23 0.00 0.00 0.00 0.00 179.25 180.08 2c3u h ALA 160 N 1.15 0.48 -0.44 0.00 0.00 -0.78 0.23 119.26 119.89 2c3u h ALA 160 Ca 0.18 -0.05 0.03 0.00 0.00 0.00 0.00 54.91 55.07 2c3u h ALA 160 Cb 0.44 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 18.04 2c3u h ALA 160 CO 0.01 -0.03 0.23 0.82 0.00 0.00 0.00 179.25 180.28 2c3u h ILE 161 N 0.49 0.98 0.10 0.00 5.03 -0.93 -1.18 117.51 122.00 2c3u h ILE 161 Ca 0.14 -0.16 -0.26 0.00 -0.12 0.00 0.00 64.86 64.46 2c3u h ILE 161 Cb -0.00 0.49 -0.00 0.00 -3.03 0.00 0.00 36.82 34.27 2c3u h ILE 161 CO -0.03 0.08 -1.18 -0.08 -0.68 0.00 0.00 178.15 176.27 2c3u h GLU 162 N 0.45 0.21 0.00 2.37 4.81 -1.21 -3.36 114.58 117.86 2c3u h GLU 162 Ca 0.19 -0.35 -0.01 0.00 -0.13 0.00 0.00 59.36 59.06 2c3u h GLU 162 Cb 0.08 0.13 -0.00 0.00 0.63 0.00 0.00 28.75 29.59 2c3u h GLU 162 CO -0.12 1.17 -0.79 0.66 -0.73 0.00 0.00 179.01 179.20 2c3u h SER 163 N 0.06 0.00 -0.55 1.04 4.64 -0.51 -3.48 113.55 114.75 2c3u h SER 163 Ca -0.10 0.00 -0.24 0.00 -0.47 0.00 0.00 61.79 60.98 2c3u h SER 163 Cb 1.92 0.00 -0.09 0.00 -0.31 0.00 0.00 62.40 63.92 2c3u h SER 163 CO 0.19 0.02 -0.21 0.59 -0.87 0.00 0.00 176.83 176.54 2c3u n ASN 164 N -2.78 -4.60 -4.32 4.97 4.13 -0.45 -4.93 115.26 107.28 2c3u n ASN 164 Ca 0.01 0.29 -0.35 0.00 1.68 0.00 0.00 54.58 56.21 2c3u n ASN 164 Cb 0.56 -3.12 -0.14 0.00 -1.54 0.00 0.00 39.78 35.54 2c3u n ASN 164 CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 2c3u s VAL 165 N -2.36 3.30 0.62 2.41 1.01 -1.25 -3.27 120.40 120.86 2c3u s VAL 165 Ca 0.00 -0.52 -0.18 0.00 0.00 0.00 0.00 61.98 61.27 2c3u s VAL 165 Cb 0.00 -2.48 -0.02 0.00 0.00 0.00 0.00 36.38 33.87 2c3u s VAL 165 CO 0.00 0.44 1.26 -2.16 0.00 0.00 0.00 175.10 174.65 2c3u s PRO 166 N 1.29 2.74 0.10 2.72 0.04 -1.08 -4.44 135.00 136.37 2c3u s PRO 166 Ca 0.03 1.98 0.10 0.00 0.04 0.00 0.00 61.00 63.15 2c3u s PRO 166 Cb -0.14 -1.90 -0.04 0.00 0.04 0.00 0.00 34.50 32.47 2c3u s PRO 166 CO -0.02 -1.43 -0.24 -0.06 0.04 0.00 0.00 177.00 175.28 2c3u s PHE 167 N -1.46 2.37 -0.26 0.56 0.40 -0.11 -0.54 117.98 118.94 2c3u s PHE 167 Ca 0.80 -0.36 0.02 0.00 -0.60 0.00 0.00 56.93 56.80 2c3u s PHE 167 Cb -0.35 -1.33 0.06 0.00 0.51 0.00 0.00 43.02 41.91 2c3u s PHE 167 CO 0.37 0.28 -0.10 1.41 0.70 0.00 0.00 175.22 177.89 2c3u s MET 168 N -1.79 2.30 -0.22 0.44 -2.45 0.93 -0.75 119.30 117.76 2c3u s MET 168 Ca 0.14 -1.31 -0.14 0.00 -1.25 0.00 0.00 55.69 53.12 2c3u s MET 168 Cb -0.10 -2.92 -0.04 0.00 1.25 0.00 0.00 34.83 33.01 2c3u s MET 168 CO 0.05 -0.56 0.33 -1.58 1.05 0.00 0.00 175.02 174.31 2c3u s HIS 169 N 1.13 3.34 0.07 4.11 2.46 0.20 -1.69 115.29 124.91 2c3u s HIS 169 Ca -0.08 0.48 0.03 0.00 0.47 0.00 0.00 55.06 55.96 2c3u s HIS 169 Cb -0.20 -2.46 -0.03 0.00 -0.13 0.00 0.00 32.58 29.77 2c3u s HIS 169 CO -0.05 -0.01 -0.09 -0.59 -2.47 0.00 0.00 174.74 171.54 2c3u s PHE 170 N 1.31 0.84 0.02 3.88 -0.12 -0.69 -0.61 117.98 122.62 2c3u s PHE 170 Ca 0.15 -0.61 -0.07 0.00 -0.05 0.00 0.00 56.93 56.35 2c3u s PHE 170 Cb -0.14 -0.49 -0.00 0.00 -0.63 0.00 0.00 43.02 41.76 2c3u s PHE 170 CO 0.07 -0.07 0.14 -0.59 -0.05 0.00 0.00 175.22 174.73 2c3u s PHE 171 N -2.01 0.09 0.14 3.49 -0.12 -0.83 -1.59 117.98 117.16 2c3u s PHE 171 Ca -0.02 -0.29 -0.33 0.00 -0.05 0.00 0.00 56.93 56.24 2c3u s PHE 171 Cb -0.06 -0.07 -0.13 0.00 -0.63 0.00 0.00 43.02 42.14 2c3u s PHE 171 CO -0.01 -0.36 1.69 -0.25 -0.05 0.00 0.00 175.22 176.25 2c3u n ASP 172 N 1.00 3.51 -4.69 1.98 10.43 -1.26 -0.17 116.55 127.34 2c3u n ASP 172 Ca -0.20 1.05 -0.44 0.00 2.57 0.00 0.00 54.79 57.77 2c3u n ASP 172 Cb 0.57 -1.48 -0.04 0.00 1.84 0.00 0.00 41.12 42.02 2c3u n ASP 172 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 2c3u n GLY 173 N 3.79 1.31 5.00 0.44 0.00 0.54 -1.85 105.19 114.41 2c3u n GLY 173 Ca 0.17 0.63 0.00 0.00 0.00 0.00 0.00 46.02 46.82 2c3u n GLY 173 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2c3u n PHE 174 N 3.58 0.00 -0.05 1.61 3.72 -1.26 -3.18 117.46 121.87 2c3u n PHE 174 Ca 0.16 0.00 0.24 0.00 -0.05 0.00 0.00 57.45 57.80 2c3u n PHE 174 Cb 0.32 0.00 0.72 0.00 -0.94 0.00 0.00 39.48 39.58 2c3u n PHE 174 CO 0.00 0.00 0.00 -0.09 -0.05 0.00 0.00 176.76 176.62 2c3u h ARG 175 N 0.00 0.00 0.00 -1.08 9.65 -1.95 -0.99 114.38 120.01 2c3u h ARG 175 Ca 0.00 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.88 2c3u h ARG 175 Cb 0.00 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 28.58 2c3u h ARG 175 CO 0.00 0.00 -0.95 2.41 2.80 0.00 0.00 179.97 184.23 2c3u n THR 176 N -4.16 0.00 0.04 0.20 -1.04 -0.77 -4.48 114.28 104.06 2c3u n THR 176 Ca 0.13 0.00 -0.01 0.00 -2.04 0.00 0.00 64.05 62.12 2c3u n THR 176 Cb 0.76 -0.52 0.27 0.00 -1.82 0.00 0.00 70.33 69.01 2c3u n THR 176 CO 0.00 0.00 0.00 0.77 -0.64 0.00 0.00 175.07 175.20 2c3u h SER 177 N 0.00 0.41 -0.24 8.00 4.64 -1.42 -2.12 113.55 122.83 2c3u h SER 177 Ca 0.00 -0.11 0.00 0.00 -0.47 0.00 0.00 61.79 61.21 2c3u h SER 177 Cb 0.95 -0.11 0.00 0.00 -0.31 0.00 0.00 62.40 62.93 2c3u h SER 177 CO 0.00 0.61 0.00 1.41 -0.87 0.00 0.00 176.83 177.98 2c3u n HIS 178 N -4.19 0.31 -3.03 4.77 8.25 -0.38 -2.66 115.22 118.29 2c3u n HIS 178 Ca 0.00 -0.29 -0.40 0.00 -0.26 0.00 0.00 57.72 56.77 2c3u n HIS 178 Cb 0.34 -0.01 -0.05 0.00 1.12 0.00 0.00 29.99 31.38 2c3u n HIS 178 CO 0.00 0.00 0.00 -2.00 0.64 0.00 0.00 176.34 174.98 2c3u s GLU 179 N -1.03 4.46 -0.12 -0.41 2.12 -1.17 -4.67 118.70 117.89 2c3u s GLU 179 Ca 0.22 1.01 -0.03 0.00 0.36 0.00 0.00 54.97 56.53 2c3u s GLU 179 Cb 0.13 -3.34 -0.03 0.00 0.26 0.00 0.00 34.13 31.15 2c3u s GLU 179 CO 0.17 0.37 0.02 0.96 -0.54 0.00 0.00 175.26 176.23 2c3u s ILE 180 N -0.32 4.42 0.04 -3.70 -5.25 -0.16 -3.50 121.20 112.73 2c3u s ILE 180 Ca 0.36 -0.19 -0.01 0.00 -0.99 0.00 0.00 60.65 59.82 2c3u s ILE 180 Cb -0.21 -2.90 -0.04 0.00 2.95 0.00 0.00 42.46 42.27 2c3u s ILE 180 CO 0.22 0.56 -0.03 -1.10 -1.79 0.00 0.00 174.94 172.81 2c3u s GLN 181 N -0.48 0.55 -0.34 0.37 -1.52 0.03 -1.46 119.66 116.81 2c3u s GLN 181 Ca 0.09 -1.09 -0.22 0.00 -1.95 0.00 0.00 55.36 52.19 2c3u s GLN 181 Cb -0.12 0.19 0.00 0.00 -0.22 0.00 0.00 33.01 32.86 2c3u s GLN 181 CO 0.02 -0.10 0.72 0.21 -0.25 0.00 0.00 175.29 175.89 2c3u s LYS 182 N -3.41 3.81 0.38 2.91 2.20 -1.14 -1.87 119.74 122.62 2c3u s LYS 182 Ca 0.02 0.31 0.04 0.00 -0.36 0.00 0.00 55.97 55.98 2c3u s LYS 182 Cb 0.04 -3.78 -0.01 0.00 -1.51 0.00 0.00 37.83 32.57 2c3u s LYS 182 CO -0.08 -0.73 0.14 0.44 -0.36 0.00 0.00 175.35 174.75 2c3u n ILE 183 N 5.61 0.00 -5.01 5.43 -5.35 0.19 -4.83 119.36 115.39 2c3u n ILE 183 Ca 0.01 -2.20 -0.32 0.00 -0.27 0.00 0.00 62.75 59.97 2c3u n ILE 183 Cb 0.48 0.80 -0.15 0.00 -1.74 0.00 0.00 39.64 39.03 2c3u n ILE 183 CO 0.00 0.00 0.00 -0.70 -1.76 0.00 0.00 176.55 174.09 2c3u s GLU 184 N -3.43 3.00 0.30 6.28 2.12 -1.26 -0.69 118.70 125.02 2c3u s GLU 184 Ca 0.20 -0.78 0.10 0.00 0.36 0.00 0.00 54.97 54.84 2c3u s GLU 184 Cb 0.01 -2.41 -0.05 0.00 0.26 0.00 0.00 34.13 31.94 2c3u s GLU 184 CO 0.14 0.30 -0.06 0.14 -0.54 0.00 0.00 175.26 175.24 2c3u s VAL 185 N 0.09 2.85 0.11 3.70 -7.23 -0.38 -4.96 120.40 114.59 2c3u s VAL 185 Ca -0.09 -2.09 0.02 0.00 -1.81 0.00 0.00 61.98 58.02 2c3u s VAL 185 Cb -0.15 -2.66 -0.04 0.00 0.56 0.00 0.00 36.38 34.09 2c3u s VAL 185 CO 0.05 -0.32 0.21 -0.76 -0.31 0.00 0.00 175.10 173.97 2c3u s LEU 186 N -3.64 4.21 0.77 1.32 1.43 -1.26 -2.82 118.68 118.70 2c3u s LEU 186 Ca 0.32 0.15 -0.11 0.00 -1.03 0.00 0.00 54.13 53.46 2c3u s LEU 186 Cb -0.04 -2.81 0.05 0.00 0.03 0.00 0.00 46.19 43.42 2c3u s LEU 186 CO 0.18 0.12 1.08 -1.81 0.23 0.00 0.00 176.35 176.15 2c3u s ASP 187 N -2.82 4.62 0.29 2.29 1.01 -0.95 -4.94 116.67 116.17 2c3u s ASP 187 Ca 0.34 1.62 0.03 0.00 0.71 0.00 0.00 52.55 55.25 2c3u s ASP 187 Cb -0.12 -2.38 0.44 0.00 1.01 0.00 0.00 42.92 41.88 2c3u s ASP 187 CO 0.27 -1.93 1.73 1.88 0.21 0.00 0.00 175.17 177.33 2c3u h TYR 188 N -1.06 0.49 -0.56 4.23 -1.99 -1.98 -2.88 116.97 113.22 2c3u h TYR 188 Ca -0.45 -0.10 -0.02 0.00 2.00 0.00 0.00 58.73 60.15 2c3u h TYR 188 Cb 1.24 -0.12 -0.03 0.00 2.00 0.00 0.00 36.73 39.82 2c3u h TYR 188 CO 0.55 0.66 0.26 0.00 -0.00 0.00 0.00 178.16 179.63 2c3u h ALA 189 N 1.34 1.41 -0.37 3.88 0.00 -1.97 -0.00 119.26 123.54 2c3u h ALA 189 Ca 0.06 -0.12 -0.15 0.00 0.00 0.00 0.00 54.91 54.70 2c3u h ALA 189 Cb 0.66 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 2c3u h ALA 189 CO 0.05 0.47 -0.34 -0.44 0.00 0.00 0.00 179.25 178.98 2c3u h ASP 190 N 0.79 0.95 -0.61 0.00 3.32 -1.89 -1.62 116.42 117.35 2c3u h ASP 190 Ca 0.20 -0.46 -0.00 0.00 0.02 0.00 0.00 57.03 56.79 2c3u h ASP 190 Cb 0.10 -0.27 -0.03 0.00 0.22 0.00 0.00 39.33 39.35 2c3u h ASP 190 CO -0.02 1.21 0.38 0.24 -1.72 0.00 0.00 179.24 179.32 2c3u h MET 191 N 0.70 0.82 -0.95 3.56 2.86 -1.25 -2.42 114.93 118.24 2c3u h MET 191 Ca 0.06 -0.07 0.02 0.00 -2.06 0.00 0.00 59.70 57.65 2c3u h MET 191 Cb 0.93 -0.18 -0.05 0.00 0.06 0.00 0.00 31.60 32.37 2c3u h MET 191 CO 0.09 0.58 0.63 0.00 1.06 0.00 0.00 176.91 179.26 2c3u h ALA 192 N 1.20 1.22 0.00 6.32 0.00 -0.85 -2.44 119.26 124.70 2c3u h ALA 192 Ca 0.22 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.07 2c3u h ALA 192 Cb -0.04 -0.38 0.00 0.00 0.00 0.00 0.00 17.79 17.37 2c3u h ALA 192 CO -0.04 0.58 0.00 0.66 0.00 0.00 0.00 179.25 180.45 2c3u h SER 193 N 1.27 0.00 0.40 0.00 4.64 -0.77 -2.25 113.55 116.84 2c3u h SER 193 Ca 0.36 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.68 2c3u h SER 193 Cb -0.12 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 61.97 2c3u h SER 193 CO -0.09 0.00 -0.64 0.18 -0.87 0.00 0.00 176.83 175.41 2c3u n LEU 194 N -2.75 0.62 -4.73 5.97 4.32 -0.92 -4.93 117.00 114.58 2c3u n LEU 194 Ca -0.01 -0.10 -0.42 0.00 -0.02 0.00 0.00 56.01 55.46 2c3u n LEU 194 Cb 0.13 -0.19 -0.03 0.00 -1.62 0.00 0.00 43.42 41.72 2c3u n LEU 194 CO 0.19 0.14 1.16 -0.69 -1.22 0.00 0.00 177.39 176.97 2c3u s VAL 195 N -3.02 2.68 -0.71 4.08 1.01 -0.85 -4.92 120.40 118.68 2c3u s VAL 195 Ca 0.10 0.52 -0.27 0.00 0.00 0.00 0.00 61.98 62.33 2c3u s VAL 195 Cb 0.17 -3.33 0.01 0.00 0.00 0.00 0.00 36.38 33.23 2c3u s VAL 195 CO 0.74 0.06 1.46 0.21 0.00 0.00 0.00 175.10 177.57 2c3u s ASN 196 N 0.80 5.89 0.24 3.32 3.84 -1.26 -4.88 114.94 122.88 2c3u s ASN 196 Ca 0.65 -0.23 -0.06 0.00 0.21 0.00 0.00 52.86 53.42 2c3u s ASN 196 Cb -0.42 -2.55 0.28 0.00 -0.55 0.00 0.00 41.25 38.00 2c3u s ASN 196 CO 0.37 -2.00 1.89 1.56 -2.79 0.00 0.00 177.10 176.12 2c3u h GLN 197 N 11.51 1.09 0.01 0.43 1.08 -1.96 -1.70 115.11 125.57 2c3u h GLN 197 Ca -0.26 -0.07 -0.00 0.00 -1.45 0.00 0.00 58.65 56.87 2c3u h GLN 197 Cb 1.08 -0.25 0.00 0.00 -0.05 0.00 0.00 27.48 28.27 2c3u h GLN 197 CO 1.26 0.72 -0.00 0.87 -0.95 0.00 0.00 178.83 180.73 2c3u h LYS 198 N 1.13 -0.01 -0.79 1.46 6.56 -2.00 -0.83 116.57 122.09 2c3u h LYS 198 Ca 0.36 0.00 -0.02 0.00 -1.06 0.00 0.00 60.65 59.93 2c3u h LYS 198 Cb 0.01 0.00 -0.04 0.00 -0.57 0.00 0.00 32.23 31.63 2c3u h LYS 198 CO -0.12 -0.00 0.41 0.00 -2.06 0.00 0.00 179.45 177.68 2c3u h ALA 199 N 0.97 1.25 -0.56 3.86 0.00 -1.86 -1.49 119.26 121.43 2c3u h ALA 199 Ca -0.00 -0.13 -0.06 0.00 0.00 0.00 0.00 54.91 54.72 2c3u h ALA 199 Cb 0.02 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.47 2c3u h ALA 199 CO 0.00 0.60 0.10 1.25 0.00 0.00 0.00 179.25 181.21 2c3u h LEU 200 N 1.10 0.83 -0.75 0.00 5.85 -0.91 -1.14 115.31 120.29 2c3u h LEU 200 Ca 0.28 -0.17 -0.12 0.00 0.84 0.00 0.00 57.88 58.71 2c3u h LEU 200 Cb 0.05 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 40.85 2c3u h LEU 200 CO -0.04 0.83 -0.39 0.00 -0.34 0.00 0.00 178.44 178.50 2c3u h ALA 201 N 1.28 0.93 -0.36 1.25 0.00 -0.58 -2.59 119.26 119.17 2c3u h ALA 201 Ca 0.18 -0.43 -0.12 0.00 0.00 0.00 0.00 54.91 54.54 2c3u h ALA 201 Cb 0.35 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 2c3u h ALA 201 CO 0.00 0.63 -0.28 0.93 0.00 0.00 0.00 179.25 180.53 2c3u h GLU 202 N 0.41 0.76 0.17 0.00 5.08 -0.90 -1.57 114.58 118.53 2c3u h GLU 202 Ca 0.04 -0.33 0.00 0.00 -1.00 0.00 0.00 59.36 58.07 2c3u h GLU 202 Cb 0.86 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 30.08 2c3u h GLU 202 CO 0.07 0.95 -0.17 0.35 -1.00 0.00 0.00 179.01 179.21 2c3u h PHE 203 N 0.65 -0.45 -0.85 4.33 3.57 -0.92 -0.79 116.94 122.49 2c3u h PHE 203 Ca 0.08 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.57 2c3u h PHE 203 Cb 0.80 0.18 -0.04 0.00 2.79 0.00 0.00 35.95 39.68 2c3u h PHE 203 CO 0.04 -0.26 0.48 0.00 -2.23 0.00 0.00 178.31 176.34 2c3u h ARG 204 N -0.37 1.17 0.00 1.11 3.08 -1.35 -2.65 114.38 115.36 2c3u h ARG 204 Ca 0.00 -0.12 -0.10 0.00 0.07 0.00 0.00 59.98 59.83 2c3u h ARG 204 Cb 0.35 -0.24 -0.01 0.00 0.08 0.00 0.00 29.97 30.15 2c3u h ARG 204 CO -0.04 0.84 -0.48 0.00 -1.07 0.00 0.00 179.97 179.21 2c3u h ALA 205 N 1.35 1.12 -0.01 0.04 0.00 -0.98 -2.78 119.26 118.00 2c3u h ALA 205 Ca 0.30 -0.44 0.00 0.00 0.00 0.00 0.00 54.91 54.77 2c3u h ALA 205 Cb 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.71 2c3u h ALA 205 CO -0.05 0.61 -0.24 0.36 0.00 0.00 0.00 179.25 179.93 2c3u n LYS 206 N -3.85 0.72 -1.23 0.00 2.85 -0.33 -4.94 118.16 111.39 2c3u n LYS 206 Ca -0.01 -0.38 -0.30 0.00 -1.05 0.00 0.00 58.31 56.56 2c3u n LYS 206 Cb 0.52 -1.49 0.13 0.00 -0.65 0.00 0.00 35.03 33.54 2c3u n LYS 206 CO 0.00 0.00 0.00 -1.12 -0.05 0.00 0.00 177.40 176.23 2c3u s SER 207 N -2.54 3.67 0.26 -5.58 0.01 -1.02 -4.97 113.70 103.52 2c3u s SER 207 Ca 0.24 1.53 -0.30 0.00 1.31 0.00 0.00 55.95 58.73 2c3u s SER 207 Cb 0.19 -2.21 -0.11 0.00 0.21 0.00 0.00 66.02 64.10 2c3u s SER 207 CO 0.52 -2.52 1.52 -0.04 0.41 0.00 0.00 173.24 173.13 2c3u s MET 208 N -4.94 4.20 -0.29 12.44 -1.94 -0.15 -4.94 119.30 123.68 2c3u s MET 208 Ca 0.63 2.43 -0.16 0.00 -1.71 0.00 0.00 55.69 56.88 2c3u s MET 208 Cb -0.18 -3.07 0.17 0.00 2.01 0.00 0.00 34.83 33.76 2c3u s MET 208 CO 0.57 -0.53 1.09 1.21 -0.01 0.00 0.00 175.02 177.35 2c3u s ASN 209 N 0.49 -0.33 0.18 3.03 3.84 -1.26 -4.73 114.94 116.15 2c3u s ASN 209 Ca 0.62 0.54 0.18 0.00 0.21 0.00 0.00 52.86 54.40 2c3u s ASN 209 Cb -0.45 1.11 0.80 0.00 -0.55 0.00 0.00 41.25 42.16 2c3u s ASN 209 CO 0.44 -0.09 1.54 -0.81 -2.79 0.00 0.00 177.10 175.40 2c3u n PRO 210 N 3.39 0.11 0.04 0.43 -0.04 -1.26 -1.23 135.00 136.44 2c3u n PRO 210 Ca -0.18 0.45 0.13 0.00 -0.04 0.00 0.00 63.50 63.86 2c3u n PRO 210 Cb 0.57 -1.76 0.43 0.00 -0.04 0.00 0.00 33.50 32.70 2c3u n PRO 210 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 2c3u n GLU 211 N -1.97 0.11 -2.79 0.54 1.02 -1.26 -4.21 120.64 112.08 2c3u n GLU 211 Ca 0.01 0.07 -0.10 0.00 -0.02 0.00 0.00 57.16 57.12 2c3u n GLU 211 Cb 0.14 -1.61 0.07 0.00 -0.02 0.00 0.00 31.44 30.01 2c3u n GLU 211 CO 0.00 0.00 0.00 -2.39 1.18 0.00 0.00 177.13 175.92 2c3u n HIS 212 N -1.80 -2.62 -1.49 -0.32 1.44 -0.83 -5.16 115.22 104.45 2c3u n HIS 212 Ca 0.06 -2.25 -0.31 0.00 -2.01 0.00 0.00 57.72 53.21 2c3u n HIS 212 Cb 0.38 1.37 0.07 0.00 0.12 0.00 0.00 29.99 31.93 2c3u n HIS 212 CO 0.00 0.00 0.00 -1.25 -2.81 0.00 0.00 176.34 172.28 2c3u s PRO 213 N 0.06 2.57 0.36 -1.40 0.04 -0.36 -4.58 135.00 131.69 2c3u s PRO 213 Ca 0.26 0.93 -0.03 0.00 0.04 0.00 0.00 61.00 62.20 2c3u s PRO 213 Cb 0.28 -1.95 0.01 0.00 0.04 0.00 0.00 34.50 32.88 2c3u s PRO 213 CO -0.09 -1.36 0.52 -3.38 0.04 0.00 0.00 177.00 172.72 2c3u s HIS 214 N -3.03 1.00 -0.08 0.56 -3.43 -1.26 -5.04 115.29 104.00 2c3u s HIS 214 Ca 0.59 -1.27 0.03 0.00 -0.80 0.00 0.00 55.06 53.61 2c3u s HIS 214 Cb -0.15 0.01 0.01 0.00 -1.43 0.00 0.00 32.58 31.02 2c3u s HIS 214 CO 0.55 -1.20 -0.19 0.54 -2.00 0.00 0.00 174.74 172.44 2c3u s VAL 215 N -2.90 1.64 0.22 -5.38 0.11 -1.26 -5.01 120.40 107.82 2c3u s VAL 215 Ca 0.29 -0.77 0.10 0.00 -2.93 0.00 0.00 61.98 58.67 2c3u s VAL 215 Cb -0.01 -1.44 -0.04 0.00 -1.53 0.00 0.00 36.38 33.35 2c3u s VAL 215 CO 0.20 0.47 -0.14 0.00 -3.33 0.00 0.00 175.10 172.30 2c3u s ARG 216 N 0.49 1.87 -0.35 1.54 1.70 -1.26 -4.81 118.95 118.14 2c3u s ARG 216 Ca -0.17 -1.47 -0.00 0.00 -0.47 0.00 0.00 55.73 53.62 2c3u s ARG 216 Cb -0.17 -1.99 -0.00 0.00 -0.57 0.00 0.00 34.95 32.21 2c3u s ARG 216 CO 0.07 0.39 0.29 0.41 -1.08 0.00 0.00 175.30 175.38 2c3u n GLY 217 N -0.19 0.22 3.92 3.88 0.00 -1.26 -5.05 105.19 106.71 2c3u n GLY 217 Ca -0.09 -0.26 -0.28 0.00 0.00 0.00 0.00 46.02 45.39 2c3u n GLY 217 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2c3u s THR 218 N -3.11 2.10 -0.17 2.61 -4.23 -1.26 -5.06 115.64 106.52 2c3u s THR 218 Ca 0.02 -0.11 -0.03 0.00 -1.18 0.00 0.00 61.69 60.39 2c3u s THR 218 Cb -0.00 -2.98 -0.02 0.00 1.34 0.00 0.00 72.50 70.84 2c3u s THR 218 CO 0.22 0.00 -0.06 0.00 -0.54 0.00 0.00 174.62 174.24 2c3u s ALA 219 N -3.50 2.86 0.11 3.99 0.00 -1.26 -5.11 121.76 118.84 2c3u s ALA 219 Ca 0.63 -0.93 0.10 0.00 0.00 0.00 0.00 51.96 51.76 2c3u s ALA 219 Cb -0.10 -1.52 -0.04 0.00 0.00 0.00 0.00 23.12 21.47 2c3u s ALA 219 CO 0.48 0.04 -0.24 -0.65 0.00 0.00 0.00 175.76 175.40 2c3u s GLN 220 N 0.67 1.61 0.65 0.00 -0.21 -1.26 -5.13 119.66 116.00 2c3u s GLN 220 Ca -0.03 -1.24 0.01 0.00 0.02 0.00 0.00 55.36 54.11 2c3u s GLN 220 Cb -0.15 -1.99 0.10 0.00 1.00 0.00 0.00 33.01 31.96 2c3u s GLN 220 CO 0.02 0.47 0.91 -0.80 -2.12 0.00 0.00 175.29 173.77 2c3u s ASN 221 N -1.94 4.70 0.60 5.90 0.02 -1.26 -4.82 114.94 118.15 2c3u s ASN 221 Ca 0.15 -0.32 0.31 0.00 -1.02 0.00 0.00 52.86 51.97 2c3u s ASN 221 Cb -0.10 -0.22 1.79 0.00 0.02 0.00 0.00 41.25 42.74 2c3u s ASN 221 CO 0.07 -1.60 2.17 -0.65 0.02 0.00 0.00 177.10 177.11 2c3u h PRO 222 N -0.27 0.00 -0.32 -0.60 0.11 -2.01 -2.48 132.00 126.43 2c3u h PRO 222 Ca -0.37 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.74 2c3u h PRO 222 Cb 1.28 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.37 2c3u h PRO 222 CO 0.44 0.00 0.18 0.38 -0.21 0.00 0.00 178.00 178.79 2c3u h ASP 223 N 0.00 0.37 0.00 -2.05 3.04 -2.05 -3.37 116.42 112.37 2c3u h ASP 223 Ca 0.05 -0.02 0.00 0.00 -3.24 0.00 0.00 57.03 53.82 2c3u h ASP 223 Cb 0.29 -0.09 0.00 0.00 -1.04 0.00 0.00 39.33 38.49 2c3u h ASP 223 CO -0.00 0.30 -0.18 2.30 -2.04 0.00 0.00 179.24 179.61 2c3u n ILE 224 N -4.46 0.00 -0.11 4.15 -5.35 -1.01 -4.89 119.36 107.69 2c3u n ILE 224 Ca 0.02 -0.15 -0.05 0.00 -0.27 0.00 0.00 62.75 62.29 2c3u n ILE 224 Cb 0.09 0.72 0.01 0.00 -1.74 0.00 0.00 39.64 38.71 2c3u n ILE 224 CO 0.00 0.00 0.00 0.22 -1.76 0.00 0.00 176.55 175.01 2c3u h TYR 225 N 0.00 -0.28 -0.43 4.28 3.20 -1.62 -1.51 116.97 120.61 2c3u h TYR 225 Ca 0.00 0.04 0.06 0.00 3.14 0.00 0.00 58.73 61.96 2c3u h TYR 225 Cb 0.00 0.18 -0.05 0.00 1.54 0.00 0.00 36.73 38.40 2c3u h TYR 225 CO 0.00 -0.19 0.14 0.35 -1.64 0.00 0.00 178.16 176.81 2c3u h PHE 226 N -0.04 0.24 -0.65 -3.82 -0.00 -1.86 -0.07 116.94 110.74 2c3u h PHE 226 Ca 0.18 0.02 -0.04 0.00 -0.00 0.00 0.00 57.97 58.14 2c3u h PHE 226 Cb 0.32 -0.04 -0.03 0.00 -0.00 0.00 0.00 35.95 36.19 2c3u h PHE 226 CO -0.36 0.08 0.25 1.96 -0.00 0.00 0.00 178.31 180.23 2c3u h GLN 227 N 0.30 0.96 -0.46 1.11 7.50 -1.82 -2.35 115.11 120.34 2c3u h GLN 227 Ca 0.21 -0.16 -0.07 0.00 0.50 0.00 0.00 58.65 59.12 2c3u h GLN 227 Cb 0.21 -0.16 -0.02 0.00 0.05 0.00 0.00 27.48 27.56 2c3u h GLN 227 CO -0.22 0.79 -0.00 0.78 -1.50 0.00 0.00 178.83 178.67 2c3u h GLY 228 N 1.03 0.82 1.80 3.46 0.00 -0.18 -2.52 103.07 107.49 2c3u h GLY 228 Ca 0.22 -0.55 -0.09 0.00 0.00 0.00 0.00 47.33 46.91 2c3u h GLY 228 CO -0.02 0.51 -0.34 -0.09 0.00 0.00 0.00 176.54 176.60 2c3u h ARG 229 N 0.72 0.23 0.00 4.80 9.65 -0.55 -3.20 114.38 126.03 2c3u h ARG 229 Ca 0.14 -0.09 0.00 0.00 -1.10 0.00 0.00 59.98 58.93 2c3u h ARG 229 Cb 0.44 -0.01 0.00 0.00 -1.39 0.00 0.00 29.97 29.01 2c3u h ARG 229 CO 0.02 0.54 -0.45 0.93 2.80 0.00 0.00 179.97 183.81 2c3u h GLU 230 N 0.20 0.00 0.00 0.20 4.39 -1.17 -3.37 114.58 114.83 2c3u h GLU 230 Ca 0.03 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.73 2c3u h GLU 230 Cb 0.70 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.35 2c3u h GLU 230 CO 0.05 0.00 0.00 0.00 -1.16 0.00 0.00 179.01 177.90 2c3u h ALA 231 N 2.45 1.00 -0.00 3.43 0.00 -1.45 -2.13 119.26 122.56 2c3u h ALA 231 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2c3u h ALA 231 Cb 0.78 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.57 2c3u h ALA 231 CO 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 179.25 178.95 2c3u n ALA 232 N -1.88 3.09 -0.35 0.00 0.00 -1.26 -4.44 120.51 115.66 2c3u n ALA 232 Ca -0.01 -0.27 0.11 0.00 0.00 0.00 0.00 53.44 53.27 2c3u n ALA 232 Cb 0.10 -1.24 0.23 0.00 0.00 0.00 0.00 19.45 18.54 2c3u n ALA 232 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.50 176.59 2c3u h ASN 233 N 0.14 -0.67 -0.84 0.00 -0.26 -1.67 0.22 115.58 112.50 2c3u h ASN 233 Ca 0.00 0.29 0.12 0.00 -0.56 0.00 0.00 56.30 56.15 2c3u h ASN 233 Cb 0.48 0.55 -0.06 0.00 -1.06 0.00 0.00 38.32 38.23 2c3u h ASN 233 CO 0.00 -0.35 0.55 -0.65 -1.06 0.00 0.00 177.43 175.92 2c3u h PRO 234 N 0.00 0.69 -0.62 0.81 0.11 -1.85 -1.61 132.00 129.53 2c3u h PRO 234 Ca 0.56 -0.04 -0.10 0.00 0.11 0.00 0.00 66.00 66.53 2c3u h PRO 234 Cb 1.04 -0.16 -0.02 0.00 0.11 0.00 0.00 31.00 31.98 2c3u h PRO 234 CO -0.98 0.46 0.01 1.88 -0.21 0.00 0.00 178.00 179.16 2c3u h TYR 235 N 0.71 1.18 0.00 0.65 0.05 -0.88 -2.79 116.97 115.88 2c3u h TYR 235 Ca 0.41 -0.20 -0.08 0.00 0.05 0.00 0.00 58.73 58.90 2c3u h TYR 235 Cb 0.59 -0.31 -0.01 0.00 1.01 0.00 0.00 36.73 38.01 2c3u h TYR 235 CO -0.00 1.03 -0.39 1.88 -1.05 0.00 0.00 178.16 179.63 2c3u h TYR 236 N 0.98 0.00 0.00 4.88 -1.99 -1.28 -2.69 116.97 116.88 2c3u h TYR 236 Ca 0.18 0.00 -0.11 0.00 2.00 0.00 0.00 58.73 60.80 2c3u h TYR 236 Cb 0.55 0.00 -0.02 0.00 2.00 0.00 0.00 36.73 39.27 2c3u h TYR 236 CO 0.04 0.39 -0.52 -0.07 -0.00 0.00 0.00 178.16 178.00 2c3u h LEU 237 N 0.00 0.00 0.00 3.88 3.38 -1.11 -3.29 115.31 118.18 2c3u h LEU 237 Ca -0.00 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.89 2c3u h LEU 237 Cb 1.00 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.74 2c3u h LEU 237 CO 0.05 0.52 -1.30 0.29 0.09 0.00 0.00 178.44 178.09 2c3u n LYS 238 N -3.80 0.62 -0.36 1.13 5.02 -1.07 -4.39 118.16 115.32 2c3u n LYS 238 Ca -0.01 0.12 0.07 0.00 -2.02 0.00 0.00 58.31 56.47 2c3u n LYS 238 Cb 0.55 -1.78 0.24 0.00 -0.02 0.00 0.00 35.03 34.02 2c3u n LYS 238 CO 0.00 0.00 0.00 -0.39 -0.52 0.00 0.00 177.40 176.49 2c3u h VAL 239 N 0.00 0.94 -0.88 -0.18 -1.51 -1.54 -1.77 116.25 111.31 2c3u h VAL 239 Ca -0.08 -0.35 0.03 0.00 -1.23 0.00 0.00 66.70 65.08 2c3u h VAL 239 Cb 1.25 -0.15 -0.05 0.00 -2.13 0.00 0.00 31.29 30.21 2c3u h VAL 239 CO 0.02 0.18 0.57 -0.65 -1.23 0.00 0.00 177.57 176.46 2c3u h PRO 240 N 1.01 1.07 0.00 5.19 0.11 -1.77 0.96 132.00 138.57 2c3u h PRO 240 Ca 0.48 -0.06 -0.10 0.00 0.11 0.00 0.00 66.00 66.43 2c3u h PRO 240 Cb 0.45 -0.24 -0.01 0.00 0.11 0.00 0.00 31.00 31.31 2c3u h PRO 240 CO -0.25 0.71 -0.47 0.78 -0.21 0.00 0.00 178.00 178.57 2c3u h GLY 241 N 1.10 0.00 1.07 -0.55 0.00 -1.61 -1.35 103.07 101.73 2c3u h GLY 241 Ca 0.35 0.00 -0.16 0.00 0.00 0.00 0.00 47.33 47.52 2c3u h GLY 241 CO -0.12 0.00 -0.45 -2.22 0.00 0.00 0.00 176.54 173.75 2c3u h ILE 242 N 0.00 1.29 -0.20 2.60 5.03 -0.56 -1.63 117.51 124.04 2c3u h ILE 242 Ca -0.00 -1.64 -0.02 0.00 -0.12 0.00 0.00 64.86 63.07 2c3u h ILE 242 Cb 0.88 1.64 -0.01 0.00 -3.03 0.00 0.00 36.82 36.31 2c3u h ILE 242 CO 0.06 0.53 0.03 0.58 -0.68 0.00 0.00 178.15 178.67 2c3u h VAL 243 N 0.56 1.23 -0.69 1.67 2.07 -0.61 -0.95 116.25 119.53 2c3u h VAL 243 Ca 0.02 -0.76 0.00 0.00 0.82 0.00 0.00 66.70 66.79 2c3u h VAL 243 Cb 1.05 1.34 -0.03 0.00 -1.52 0.00 0.00 31.29 32.13 2c3u h VAL 243 CO 0.10 0.23 0.43 0.00 0.02 0.00 0.00 177.57 178.36 2c3u h ALA 244 N 0.83 0.87 -0.68 1.67 0.00 -1.27 -0.77 119.26 119.91 2c3u h ALA 244 Ca 0.06 -0.07 0.03 0.00 0.00 0.00 0.00 54.91 54.94 2c3u h ALA 244 Cb 0.33 -0.28 -0.04 0.00 0.00 0.00 0.00 17.79 17.79 2c3u h ALA 244 CO 0.00 0.32 0.42 1.49 0.00 0.00 0.00 179.25 181.49 2c3u h GLU 245 N 0.93 0.79 0.00 0.00 4.81 -1.13 -2.31 114.58 117.68 2c3u h GLU 245 Ca 0.25 -0.05 -0.07 0.00 -0.13 0.00 0.00 59.36 59.36 2c3u h GLU 245 Cb -0.06 -0.18 -0.01 0.00 0.63 0.00 0.00 28.75 29.13 2c3u h GLU 245 CO -0.05 0.53 -0.33 1.88 -0.73 0.00 0.00 179.01 180.30 2c3u h TYR 246 N 0.82 0.00 -0.31 0.92 -1.99 -0.64 -1.32 116.97 114.44 2c3u h TYR 246 Ca 0.28 0.00 -0.12 0.00 2.00 0.00 0.00 58.73 60.89 2c3u h TYR 246 Cb 0.04 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 38.76 2c3u h TYR 246 CO -0.05 0.33 -0.30 0.52 -0.00 0.00 0.00 178.16 178.67 2c3u h MET 247 N 0.00 0.66 -0.20 4.88 2.86 -0.63 -1.41 114.93 121.09 2c3u h MET 247 Ca -0.00 -0.29 -0.16 0.00 -2.06 0.00 0.00 59.70 57.18 2c3u h MET 247 Cb 0.97 -0.02 0.00 0.00 0.06 0.00 0.00 31.60 32.62 2c3u h MET 247 CO 0.04 0.88 -0.52 1.96 1.06 0.00 0.00 176.91 180.34 2c3u h GLN 248 N 0.56 0.70 -0.58 1.72 4.20 -1.18 -0.65 115.11 119.88 2c3u h GLN 248 Ca 0.07 -0.49 -0.04 0.00 0.06 0.00 0.00 58.65 58.25 2c3u h GLN 248 Cb 0.80 0.08 -0.03 0.00 0.30 0.00 0.00 27.48 28.63 2c3u h GLN 248 CO 0.07 1.11 0.22 0.87 -0.67 0.00 0.00 178.83 180.42 2c3u h LYS 249 N 0.40 0.87 -0.59 1.46 1.57 -1.15 -0.07 116.57 119.06 2c3u h LYS 249 Ca -0.01 -0.17 -0.09 0.00 -1.87 0.00 0.00 60.65 58.51 2c3u h LYS 249 Cb 1.13 -0.14 -0.02 0.00 0.08 0.00 0.00 32.23 33.28 2c3u h LYS 249 CO 0.11 0.76 -0.00 0.28 -0.57 0.00 0.00 179.45 180.03 2c3u h VAL 250 N 0.80 1.26 -0.28 0.50 2.07 -1.26 -2.58 116.25 116.76 2c3u h VAL 250 Ca 0.19 -1.13 -0.02 0.00 0.82 0.00 0.00 66.70 66.55 2c3u h VAL 250 Cb 0.22 0.81 -0.02 0.00 -1.52 0.00 0.00 31.29 30.79 2c3u h VAL 250 CO -0.01 0.41 0.07 0.00 0.02 0.00 0.00 177.57 178.06 2c3u h ALA 251 N 1.05 1.60 0.00 1.67 0.00 -0.60 0.02 119.26 122.99 2c3u h ALA 251 Ca 0.17 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.96 2c3u h ALA 251 Cb 0.54 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.21 2c3u h ALA 251 CO 0.03 0.31 0.00 0.66 0.00 0.00 0.00 179.25 180.24 2c3u h SER 252 N 0.40 0.00 0.00 0.00 4.64 -0.60 0.44 113.55 118.43 2c3u h SER 252 Ca 0.10 0.00 -0.36 0.00 -0.47 0.00 0.00 61.79 61.06 2c3u h SER 252 Cb 0.15 0.00 -0.07 0.00 -0.31 0.00 0.00 62.40 62.18 2c3u h SER 252 CO -0.00 0.00 -2.35 0.18 -0.87 0.00 0.00 176.83 173.78 2c3u n LEU 253 N -2.75 0.06 -0.04 5.97 4.77 -0.34 -4.72 117.00 119.96 2c3u n LEU 253 Ca -0.00 -0.00 -0.01 0.00 -0.03 0.00 0.00 56.01 55.97 2c3u n LEU 253 Cb 0.18 0.46 -0.12 0.00 -2.33 0.00 0.00 43.42 41.61 2c3u n LEU 253 CO 0.21 0.50 -0.85 0.35 -1.33 0.00 0.00 177.39 176.26 2c3u n THR 254 N -2.74 0.56 -0.69 -5.08 -2.24 -0.16 -4.95 114.28 98.98 2c3u n THR 254 Ca -0.32 -0.50 0.00 0.00 -2.27 0.00 0.00 64.05 60.95 2c3u n THR 254 Cb 1.14 -0.29 0.00 0.00 -2.10 0.00 0.00 70.33 69.08 2c3u n THR 254 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2c3u n GLY 255 N 1.89 0.80 3.26 3.38 0.00 0.15 -5.01 105.19 109.67 2c3u n GLY 255 Ca -0.15 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.49 2c3u n GLY 255 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2c3u s ARG 256 N -0.31 2.57 0.19 1.61 0.52 -1.26 -5.07 118.95 117.20 2c3u s ARG 256 Ca 0.00 -1.29 -0.09 0.00 -0.52 0.00 0.00 55.73 53.83 2c3u s ARG 256 Cb 0.00 -3.55 -0.07 0.00 0.52 0.00 0.00 34.95 31.85 2c3u s ARG 256 CO 0.00 -0.77 0.49 -1.12 0.02 0.00 0.00 175.30 173.92 2c3u s SER 257 N 1.61 6.61 0.07 0.23 0.01 -1.26 -4.24 113.70 116.73 2c3u s SER 257 Ca 0.00 0.83 -0.03 0.00 1.31 0.00 0.00 55.95 58.07 2c3u s SER 257 Cb -0.21 -2.19 -0.03 0.00 0.21 0.00 0.00 66.02 63.80 2c3u s SER 257 CO 0.02 -0.01 0.03 -0.31 0.41 0.00 0.00 173.24 173.39 2c3u s TYR 258 N -1.71 0.50 0.21 2.43 1.51 -1.26 -5.12 117.35 113.91 2c3u s TYR 258 Ca 0.44 -1.00 0.02 0.00 -1.01 0.00 0.00 57.07 55.52 2c3u s TYR 258 Cb -0.12 -0.33 -0.05 0.00 -0.11 0.00 0.00 41.96 41.35 2c3u s TYR 258 CO 0.22 -0.44 0.02 0.15 -1.11 0.00 0.00 175.55 174.39 2c3u s LYS 259 N -3.93 1.26 0.27 -0.62 1.02 -1.26 -4.74 119.74 111.74 2c3u s LYS 259 Ca 0.09 -1.64 -0.01 0.00 0.02 0.00 0.00 55.97 54.44 2c3u s LYS 259 Cb 0.07 -0.38 0.50 0.00 -0.52 0.00 0.00 37.83 37.50 2c3u s LYS 259 CO -0.08 -0.16 1.81 -0.07 -0.92 0.00 0.00 175.35 175.93 2c3u h LEU 260 N 2.54 0.75 -7.60 3.17 4.07 -1.94 -3.39 115.31 112.91 2c3u h LEU 260 Ca -0.38 0.06 -0.39 0.00 0.08 0.00 0.00 57.88 57.25 2c3u h LEU 260 Cb 1.22 -0.08 -0.35 0.00 1.08 0.00 0.00 40.66 42.52 2c3u h LEU 260 CO 0.63 0.39 -0.76 -0.36 -1.08 0.00 0.00 178.44 177.25 2c3u s PHE 261 N -5.98 0.55 0.02 1.13 0.08 -1.26 -0.72 117.98 111.80 2c3u s PHE 261 Ca -0.12 -0.11 0.05 0.00 0.12 0.00 0.00 56.93 56.88 2c3u s PHE 261 Cb 0.21 -0.61 -0.03 0.00 -0.57 0.00 0.00 43.02 42.02 2c3u s PHE 261 CO 0.79 -0.21 -0.13 -0.51 -0.10 0.00 0.00 175.22 175.06 2c3u s ASP 262 N 1.30 4.13 -0.06 1.36 1.11 -0.22 -4.75 116.67 119.54 2c3u s ASP 262 Ca -0.05 -0.31 0.01 0.00 0.18 0.00 0.00 52.55 52.38 2c3u s ASP 262 Cb -0.13 -0.80 -0.03 0.00 1.07 0.00 0.00 42.92 43.02 2c3u s ASP 262 CO -0.02 0.27 -0.08 -0.47 1.18 0.00 0.00 175.17 176.04 2c3u s TYR 263 N -0.95 2.89 0.00 4.23 6.14 -1.26 0.64 117.35 129.04 2c3u s TYR 263 Ca 0.16 -0.01 0.01 0.00 0.64 0.00 0.00 57.07 57.87 2c3u s TYR 263 Cb -0.11 -1.69 -0.01 0.00 0.42 0.00 0.00 41.96 40.57 2c3u s TYR 263 CO 0.06 0.30 -0.04 0.54 0.64 0.00 0.00 175.55 177.05 2c3u s VAL 264 N -0.79 0.32 -0.07 3.14 0.11 -0.23 -5.00 120.40 117.87 2c3u s VAL 264 Ca 0.12 -0.27 0.00 0.00 -2.93 0.00 0.00 61.98 58.90 2c3u s VAL 264 Cb -0.11 -0.29 0.00 0.00 -1.53 0.00 0.00 36.38 34.45 2c3u s VAL 264 CO 0.01 0.02 0.00 0.61 -3.33 0.00 0.00 175.10 172.41 2c3u n GLY 265 N 2.80 0.50 3.71 6.54 0.00 -1.26 -0.35 105.19 117.12 2c3u n GLY 265 Ca -0.14 -2.29 -0.42 0.00 0.00 0.00 0.00 46.02 43.17 2c3u n GLY 265 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2c3u s ALA 266 N -1.99 3.60 0.53 4.61 0.00 -0.67 -4.89 121.76 122.95 2c3u s ALA 266 Ca 0.00 1.10 0.29 0.00 0.00 0.00 0.00 51.96 53.35 2c3u s ALA 266 Cb 0.00 -3.55 1.69 0.00 0.00 0.00 0.00 23.12 21.26 2c3u s ALA 266 CO 0.00 -0.66 2.19 -1.35 0.00 0.00 0.00 175.76 175.94 2c3u h PRO 267 N 6.95 0.00 -0.39 0.00 0.11 -1.96 -1.07 132.00 135.64 2c3u h PRO 267 Ca -0.42 0.00 -0.18 0.00 0.11 0.00 0.00 66.00 65.51 2c3u h PRO 267 Cb 1.21 0.00 -0.11 0.00 0.11 0.00 0.00 31.00 32.21 2c3u h PRO 267 CO 0.87 0.04 -0.01 -0.40 -0.21 0.00 0.00 178.00 178.29 2c3u n ASP 268 N -3.79 2.76 -4.74 -2.05 5.75 -1.26 -4.71 116.55 108.51 2c3u n ASP 268 Ca -0.03 -3.66 -0.42 0.00 -0.01 0.00 0.00 54.79 50.67 2c3u n ASP 268 Cb 0.13 -0.64 -0.00 0.00 -1.03 0.00 0.00 41.12 39.58 2c3u n ASP 268 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2c3u n ALA 269 N -1.04 1.86 -0.07 2.12 0.00 -0.41 -4.84 120.51 118.12 2c3u n ALA 269 Ca 0.34 0.35 -0.04 0.00 0.00 0.00 0.00 53.44 54.09 2c3u n ALA 269 Cb 1.07 -2.34 -0.16 0.00 0.00 0.00 0.00 19.45 18.02 2c3u n ALA 269 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2c3u n GLU 270 N 0.50 0.68 -4.08 0.00 1.02 0.15 -2.29 120.64 116.62 2c3u n GLU 270 Ca 0.03 -0.06 -0.32 0.00 -0.02 0.00 0.00 57.16 56.79 2c3u n GLU 270 Cb 0.37 -1.52 -0.16 0.00 -0.02 0.00 0.00 31.44 30.11 2c3u n GLU 270 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 2c3u s ARG 271 N -2.79 2.56 0.06 3.49 0.52 -1.08 0.74 118.95 122.45 2c3u s ARG 271 Ca -0.09 -1.01 0.09 0.00 -0.52 0.00 0.00 55.73 54.19 2c3u s ARG 271 Cb 0.08 -2.65 -0.03 0.00 0.52 0.00 0.00 34.95 32.87 2c3u s ARG 271 CO 0.85 -0.37 -0.25 0.08 0.02 0.00 0.00 175.30 175.62 2c3u s VAL 272 N 1.24 2.07 -0.00 3.52 1.01 -0.12 -2.28 120.40 125.84 2c3u s VAL 272 Ca -0.01 -1.43 0.01 0.00 0.00 0.00 0.00 61.98 60.56 2c3u s VAL 272 Cb -0.16 -1.79 -0.04 0.00 0.00 0.00 0.00 36.38 34.40 2c3u s VAL 272 CO -0.09 0.28 0.01 -0.63 0.00 0.00 0.00 175.10 174.67 2c3u s ILE 273 N -0.86 4.20 -0.17 2.22 -1.09 -0.72 -1.12 121.20 123.66 2c3u s ILE 273 Ca 0.11 -0.58 0.01 0.00 -2.23 0.00 0.00 60.65 57.96 2c3u s ILE 273 Cb -0.10 -2.88 0.02 0.00 -1.58 0.00 0.00 42.46 37.93 2c3u s ILE 273 CO 0.03 0.38 -0.17 -0.69 -1.23 0.00 0.00 174.94 173.25 2c3u s VAL 274 N -1.09 1.89 0.29 2.92 1.01 -0.32 -0.03 120.40 125.06 2c3u s VAL 274 Ca 0.20 -0.87 -0.00 0.00 0.00 0.00 0.00 61.98 61.31 2c3u s VAL 274 Cb -0.12 -1.74 -0.02 0.00 0.00 0.00 0.00 36.38 34.50 2c3u s VAL 274 CO 0.10 0.48 0.33 -0.55 0.00 0.00 0.00 175.10 175.46 2c3u s SER 275 N 1.35 0.84 -0.15 3.32 0.15 -0.92 -0.52 113.70 117.77 2c3u s SER 275 Ca 0.04 -1.48 -0.12 0.00 0.70 0.00 0.00 55.95 55.09 2c3u s SER 275 Cb -0.13 0.55 0.04 0.00 -1.71 0.00 0.00 66.02 64.77 2c3u s SER 275 CO -0.12 -1.09 0.39 -0.32 1.20 0.00 0.00 173.24 173.30 2c3u s MET 276 N -3.57 0.44 0.15 5.44 1.75 -1.26 -1.97 119.30 120.28 2c3u s MET 276 Ca 0.35 0.59 0.00 0.00 -1.25 0.00 0.00 55.69 55.38 2c3u s MET 276 Cb 0.02 0.16 0.00 0.00 2.84 0.00 0.00 34.83 37.86 2c3u s MET 276 CO 0.19 -0.08 0.00 0.41 -0.65 0.00 0.00 175.02 174.89 2c3u n GLY 277 N 3.19 -1.99 0.40 2.11 0.00 -1.26 -4.50 105.19 103.13 2c3u n GLY 277 Ca -0.15 -1.96 0.21 0.00 0.00 0.00 0.00 46.02 44.12 2c3u n GLY 277 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2c3u h SER 278 N 0.00 0.00 -0.31 1.61 4.64 -1.78 -1.62 113.55 116.09 2c3u h SER 278 Ca 0.00 0.00 0.08 0.00 -0.47 0.00 0.00 61.79 61.40 2c3u h SER 278 Cb 0.00 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.08 2c3u h SER 278 CO 0.00 0.00 0.22 0.77 -0.87 0.00 0.00 176.83 176.95 2c3u h SER 279 N 0.00 0.04 -0.36 4.97 4.64 -1.86 -2.03 113.55 118.95 2c3u h SER 279 Ca 0.22 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.53 2c3u h SER 279 Cb 1.25 -0.01 -0.02 0.00 -0.31 0.00 0.00 62.40 63.31 2c3u h SER 279 CO -0.00 0.03 0.20 0.00 -0.87 0.00 0.00 176.83 176.19 2c3u h GLU 281 N 0.54 -0.34 -0.57 0.00 4.39 -1.57 -0.09 114.58 116.95 2c3u h GLU 281 Ca 0.14 0.02 -0.08 0.00 0.34 0.00 0.00 59.36 59.78 2c3u h GLU 281 Cb 0.04 0.08 -0.02 0.00 -0.10 0.00 0.00 28.75 28.74 2c3u h GLU 281 CO -0.02 -0.15 0.04 1.15 -1.16 0.00 0.00 179.01 178.86 2c3u h THR 282 N -0.46 1.25 -0.41 1.13 2.02 -1.34 -1.17 112.91 113.94 2c3u h THR 282 Ca -0.04 -1.05 0.01 0.00 0.77 0.00 0.00 66.41 66.11 2c3u h THR 282 Cb 0.35 0.78 -0.02 0.00 -1.74 0.00 0.00 68.15 67.51 2c3u h THR 282 CO 0.06 0.38 0.26 0.40 0.37 0.00 0.00 175.52 176.99 2c3u h ILE 283 N 0.88 1.08 -0.71 3.11 1.08 -0.62 -2.23 117.51 120.11 2c3u h ILE 283 Ca 0.17 -0.18 -0.06 0.00 -0.39 0.00 0.00 64.86 64.40 2c3u h ILE 283 Cb 0.47 0.51 -0.03 0.00 -3.07 0.00 0.00 36.82 34.70 2c3u h ILE 283 CO 0.02 0.10 0.20 -0.08 -0.69 0.00 0.00 178.15 177.70 2c3u h GLU 284 N 0.52 1.10 -0.62 2.37 4.81 -0.61 -1.10 114.58 121.06 2c3u h GLU 284 Ca 0.15 -0.24 0.06 0.00 -0.13 0.00 0.00 59.36 59.20 2c3u h GLU 284 Cb -0.04 -0.16 -0.05 0.00 0.63 0.00 0.00 28.75 29.13 2c3u h GLU 284 CO -0.05 0.95 0.33 1.49 -0.73 0.00 0.00 179.01 181.00 2c3u h GLU 285 N 1.06 0.60 -0.60 1.92 4.81 -0.93 -1.18 114.58 120.25 2c3u h GLU 285 Ca 0.23 -0.04 -0.09 0.00 -0.13 0.00 0.00 59.36 59.33 2c3u h GLU 285 Cb 0.32 -0.14 -0.02 0.00 0.63 0.00 0.00 28.75 29.54 2c3u h GLU 285 CO -0.00 0.40 0.01 0.28 -0.73 0.00 0.00 179.01 178.96 2c3u h VAL 286 N 0.62 1.27 -0.09 0.32 2.07 -1.08 -2.76 116.25 116.60 2c3u h VAL 286 Ca 0.28 -1.14 0.03 0.00 0.82 0.00 0.00 66.70 66.69 2c3u h VAL 286 Cb 0.18 0.80 -0.04 0.00 -1.52 0.00 0.00 31.29 30.71 2c3u h VAL 286 CO -0.18 0.41 -0.14 0.40 0.02 0.00 0.00 177.57 178.09 2c3u h ILE 287 N 0.96 0.64 -0.66 4.57 1.08 -0.24 0.87 117.51 124.72 2c3u h ILE 287 Ca 0.17 0.00 0.09 0.00 -0.39 0.00 0.00 64.86 64.74 2c3u h ILE 287 Cb 0.55 0.64 -0.07 0.00 -3.07 0.00 0.00 36.82 34.86 2c3u h ILE 287 CO 0.03 0.00 0.30 0.78 -0.69 0.00 0.00 178.15 178.56 2c3u h ASN 288 N -0.18 0.35 0.61 1.72 -0.26 -1.15 0.49 115.58 117.17 2c3u h ASN 288 Ca 0.08 0.07 -0.03 0.00 -0.56 0.00 0.00 56.30 55.86 2c3u h ASN 288 Cb 0.29 0.02 0.01 0.00 -1.06 0.00 0.00 38.32 37.58 2c3u h ASN 288 CO -0.20 0.20 -0.30 -0.74 -1.06 0.00 0.00 177.43 175.34 2c3u h HIS 289 N 0.51 -0.77 -0.50 1.19 2.76 -1.10 -2.79 115.15 114.45 2c3u h HIS 289 Ca 0.33 -0.02 -0.05 0.00 -2.20 0.00 0.00 60.37 58.43 2c3u h HIS 289 Cb 0.37 0.25 -0.02 0.00 1.55 0.00 0.00 27.41 29.57 2c3u h HIS 289 CO -0.13 -0.43 0.12 -0.07 -1.30 0.00 0.00 177.93 176.12 2c3u h LEU 290 N -0.97 0.76 -1.12 0.26 4.07 -0.59 -3.13 115.31 114.59 2c3u h LEU 290 Ca -0.08 -0.23 0.02 0.00 0.08 0.00 0.00 57.88 57.66 2c3u h LEU 290 Cb 0.68 -0.20 -0.05 0.00 1.08 0.00 0.00 40.66 42.17 2c3u h LEU 290 CO 0.14 0.80 0.60 0.00 -1.08 0.00 0.00 178.44 178.89 2c3u h ALA 291 N 0.99 1.38 0.00 1.53 0.00 -0.09 -0.08 119.26 122.99 2c3u h ALA 291 Ca 0.16 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.01 2c3u h ALA 291 Cb 0.33 -0.35 0.00 0.00 0.00 0.00 0.00 17.79 17.77 2c3u h ALA 291 CO 0.00 0.56 0.00 0.00 0.00 0.00 0.00 179.25 179.81 2c3u n ALA 292 N -2.40 1.60 0.02 0.00 0.00 -1.05 -0.14 120.51 118.53 2c3u n ALA 292 Ca 0.11 -0.04 0.06 0.00 0.00 0.00 0.00 53.44 53.57 2c3u n ALA 292 Cb 0.05 -1.12 0.12 0.00 0.00 0.00 0.00 19.45 18.50 2c3u n ALA 292 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2c3u n LYS 293 N -1.20 2.17 0.00 0.00 5.02 -0.06 -4.98 118.16 119.12 2c3u n LYS 293 Ca 0.04 -1.79 0.00 0.00 -2.02 0.00 0.00 58.31 54.55 2c3u n LYS 293 Cb 0.05 -1.25 0.00 0.00 -0.02 0.00 0.00 35.03 33.80 2c3u n LYS 293 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2c3u n GLY 294 N 0.55 0.59 3.75 0.72 0.00 0.80 -5.05 105.19 106.54 2c3u n GLY 294 Ca 0.10 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.71 2c3u n GLY 294 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2c3u s GLU 295 N -0.92 4.23 -1.19 1.61 2.02 -1.15 -4.92 118.70 118.37 2c3u s GLU 295 Ca 0.00 2.38 -0.05 0.00 0.02 0.00 0.00 54.97 57.32 2c3u s GLU 295 Cb 0.00 -3.08 0.22 0.00 0.10 0.00 0.00 34.13 31.37 2c3u s GLU 295 CO 0.00 -0.46 1.89 1.63 0.02 0.00 0.00 175.26 178.34 2c3u n LYS 296 N 2.10 4.44 -4.53 1.61 4.76 -1.26 -4.29 118.16 120.99 2c3u n LYS 296 Ca 0.06 -4.00 -0.26 0.00 -2.87 0.00 0.00 58.31 51.24 2c3u n LYS 296 Cb 0.40 -2.66 -0.10 0.00 -1.84 0.00 0.00 35.03 30.83 2c3u n LYS 296 CO 0.00 0.00 0.00 0.96 -1.37 0.00 0.00 177.40 176.99 2c3u s ILE 297 N -1.75 2.21 0.31 -0.18 -0.00 -1.26 0.31 121.20 120.84 2c3u s ILE 297 Ca 0.41 -2.10 -0.11 0.00 -0.00 0.00 0.00 60.65 58.85 2c3u s ILE 297 Cb 0.12 -2.78 0.04 0.00 -0.00 0.00 0.00 42.46 39.85 2c3u s ILE 297 CO -0.02 -0.13 0.60 0.61 -0.00 0.00 0.00 174.94 176.00 2c3u n GLY 298 N -0.88 1.30 3.17 6.27 0.00 -0.96 -1.67 105.19 112.42 2c3u n GLY 298 Ca -0.05 -1.23 -0.13 0.00 0.00 0.00 0.00 46.02 44.61 2c3u n GLY 298 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2c3u s LEU 299 N 0.00 0.90 -0.28 0.99 2.96 0.52 -1.76 118.68 122.02 2c3u s LEU 299 Ca 0.13 0.57 -0.05 0.00 -0.22 0.00 0.00 54.13 54.56 2c3u s LEU 299 Cb -0.04 0.97 0.01 0.00 0.50 0.00 0.00 46.19 47.64 2c3u s LEU 299 CO 0.10 -0.10 0.03 -0.63 -1.32 0.00 0.00 176.35 174.43 2c3u s ILE 300 N 0.17 3.63 -0.20 6.68 1.01 0.95 -1.07 121.20 132.37 2c3u s ILE 300 Ca -0.00 -0.77 -0.22 0.00 0.00 0.00 0.00 60.65 59.66 2c3u s ILE 300 Cb -0.02 -2.86 -0.02 0.00 0.01 0.00 0.00 42.46 39.57 2c3u s ILE 300 CO 0.00 0.13 0.67 -0.54 0.00 0.00 0.00 174.94 175.20 2c3u s LYS 301 N 1.45 4.21 -0.18 2.79 1.02 0.21 -2.16 119.74 127.08 2c3u s LYS 301 Ca 0.02 0.68 -0.16 0.00 0.02 0.00 0.00 55.97 56.53 2c3u s LYS 301 Cb -0.17 -3.59 -0.04 0.00 -0.52 0.00 0.00 37.83 33.51 2c3u s LYS 301 CO 0.00 -0.28 0.40 0.54 -0.92 0.00 0.00 175.35 175.09 2c3u s VAL 302 N 2.04 5.21 -0.12 3.17 0.11 -0.83 -1.06 120.40 128.92 2c3u s VAL 302 Ca 0.30 0.74 -0.12 0.00 -2.93 0.00 0.00 61.98 59.98 2c3u s VAL 302 Cb -0.16 -3.74 -0.04 0.00 -1.53 0.00 0.00 36.38 30.92 2c3u s VAL 302 CO 0.10 0.28 -0.23 0.54 -3.33 0.00 0.00 175.10 172.47 2c3u n ARG 303 N 4.20 0.36 -3.02 1.54 3.00 0.10 -4.66 116.66 118.18 2c3u n ARG 303 Ca -0.08 0.20 -0.43 0.00 -0.01 0.00 0.00 57.85 57.52 2c3u n ARG 303 Cb 0.51 -1.20 -0.05 0.00 0.00 0.00 0.00 32.46 31.72 2c3u n ARG 303 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.63 176.46 2c3u s LEU 304 N -7.06 4.59 0.11 0.55 2.96 -0.84 -0.14 118.68 118.84 2c3u s LEU 304 Ca -0.19 -0.67 0.10 0.00 -0.22 0.00 0.00 54.13 53.16 2c3u s LEU 304 Cb 0.03 -2.61 -0.16 0.00 0.50 0.00 0.00 46.19 43.94 2c3u s LEU 304 CO 0.28 -1.03 1.13 0.22 -1.32 0.00 0.00 176.35 175.63 2c3u h TYR 305 N 9.13 0.00 -2.94 5.38 3.20 -1.37 -3.44 116.97 126.93 2c3u h TYR 305 Ca -0.27 0.00 -0.20 0.00 3.14 0.00 0.00 58.73 61.40 2c3u h TYR 305 Cb 1.09 0.00 -0.31 0.00 1.54 0.00 0.00 36.73 39.05 2c3u h TYR 305 CO 0.82 0.88 -0.50 1.03 -1.64 0.00 0.00 178.16 178.75 2c3u s ARG 306 N -2.75 0.19 0.59 1.82 1.81 -1.15 -3.69 118.95 115.77 2c3u s ARG 306 Ca -0.00 0.64 -0.18 0.00 -1.72 0.00 0.00 55.73 54.46 2c3u s ARG 306 Cb 0.09 -0.08 -0.04 0.00 -0.45 0.00 0.00 34.95 34.48 2c3u s ARG 306 CO 0.81 -0.22 1.17 -2.14 -0.68 0.00 0.00 175.30 174.24 2c3u s PRO 307 N 1.79 3.06 -0.45 3.54 0.02 -1.26 -0.69 135.00 141.00 2c3u s PRO 307 Ca -0.05 1.70 -0.19 0.00 0.02 0.00 0.00 61.00 62.48 2c3u s PRO 307 Cb -0.11 -1.95 0.03 0.00 0.02 0.00 0.00 34.50 32.49 2c3u s PRO 307 CO -0.09 -1.11 0.59 0.12 -0.33 0.00 0.00 177.00 176.18 2c3u s PHE 308 N -1.75 3.08 -0.51 6.54 5.36 -1.24 -4.93 117.98 124.52 2c3u s PHE 308 Ca 0.74 -0.27 -0.18 0.00 -0.96 0.00 0.00 56.93 56.26 2c3u s PHE 308 Cb -0.27 -3.29 0.07 0.00 -0.34 0.00 0.00 43.02 39.18 2c3u s PHE 308 CO 0.32 -0.88 0.59 0.08 -1.46 0.00 0.00 175.22 173.87 2c3u s VAL 309 N 2.61 4.95 0.33 3.12 1.01 -1.26 -4.92 120.40 126.23 2c3u s VAL 309 Ca 0.18 -0.68 0.04 0.00 0.00 0.00 0.00 61.98 61.51 2c3u s VAL 309 Cb -0.16 -4.29 0.29 0.00 0.00 0.00 0.00 36.38 32.22 2c3u s VAL 309 CO 0.16 -0.80 1.92 0.28 0.00 0.00 0.00 175.10 176.65 2c3u h SER 310 N 8.97 0.79 -0.18 3.32 0.02 -1.99 -2.37 113.55 122.11 2c3u h SER 310 Ca -0.28 0.01 0.02 0.00 -0.84 0.00 0.00 61.79 60.70 2c3u h SER 310 Cb 1.10 -0.16 -0.02 0.00 0.14 0.00 0.00 62.40 63.46 2c3u h SER 310 CO 0.97 0.49 0.07 -0.08 -1.14 0.00 0.00 176.83 177.14 2c3u h GLU 311 N 0.89 0.16 -0.07 3.45 4.81 -1.99 -0.78 114.58 121.04 2c3u h GLU 311 Ca 0.38 -0.01 -0.06 0.00 -0.13 0.00 0.00 59.36 59.54 2c3u h GLU 311 Cb 0.31 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.64 2c3u h GLU 311 CO -0.15 0.11 -0.22 0.00 -0.73 0.00 0.00 179.01 178.02 2c3u h ALA 312 N 1.11 1.51 -0.33 2.92 0.00 -1.88 -0.49 119.26 122.10 2c3u h ALA 312 Ca 0.08 -0.24 -0.08 0.00 0.00 0.00 0.00 54.91 54.67 2c3u h ALA 312 Cb 0.04 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 2c3u h ALA 312 CO -0.07 0.36 -0.11 0.35 0.00 0.00 0.00 179.25 179.77 2c3u h PHE 313 N 0.11 0.74 0.00 0.00 3.57 -0.89 -2.76 116.94 117.71 2c3u h PHE 313 Ca 0.02 -0.17 -0.10 0.00 3.53 0.00 0.00 57.97 61.25 2c3u h PHE 313 Cb 0.45 -0.18 -0.01 0.00 2.79 0.00 0.00 35.95 39.00 2c3u h PHE 313 CO 0.00 0.85 -0.48 0.74 -2.23 0.00 0.00 178.31 177.19 2c3u h PHE 314 N 0.43 0.00 -0.00 0.41 -1.00 -0.81 -2.16 116.94 113.81 2c3u h PHE 314 Ca 0.08 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.86 2c3u h PHE 314 Cb 0.63 0.00 -0.00 0.00 3.61 0.00 0.00 35.95 40.19 2c3u h PHE 314 CO 0.05 0.48 0.01 0.00 -1.61 0.00 0.00 178.31 177.24 2c3u h ALA 315 N 1.52 1.19 -0.02 2.45 0.00 -0.81 -1.33 119.26 122.27 2c3u h ALA 315 Ca -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2c3u h ALA 315 Cb 0.91 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.70 2c3u h ALA 315 CO 0.06 -0.01 -0.12 0.00 0.00 0.00 0.00 179.25 179.18 2c3u n ALA 316 N -2.16 2.73 -2.62 0.00 0.00 -0.83 -4.95 120.51 112.68 2c3u n ALA 316 Ca -0.03 -0.62 -0.40 0.00 0.00 0.00 0.00 53.44 52.39 2c3u n ALA 316 Cb 0.08 -0.63 -0.07 0.00 0.00 0.00 0.00 19.45 18.83 2c3u n ALA 316 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 2c3u s LEU 317 N -1.76 4.07 0.23 0.00 0.20 -0.50 -4.67 118.68 116.25 2c3u s LEU 317 Ca 0.20 0.57 -0.31 0.00 0.69 0.00 0.00 54.13 55.28 2c3u s LEU 317 Cb 0.15 -2.75 -0.11 0.00 -0.43 0.00 0.00 46.19 43.05 2c3u s LEU 317 CO 0.31 -0.34 1.58 -2.84 -0.29 0.00 0.00 176.35 174.76 2c3u s PRO 318 N 2.42 4.18 0.58 0.98 0.02 -1.26 -4.88 135.00 137.04 2c3u s PRO 318 Ca 0.23 2.47 0.33 0.00 0.02 0.00 0.00 61.00 64.06 2c3u s PRO 318 Cb -0.15 -3.09 1.79 0.00 0.02 0.00 0.00 34.50 33.07 2c3u s PRO 318 CO 0.09 -0.61 2.18 0.00 -0.33 0.00 0.00 177.00 178.34 2c3u h ALA 319 N 5.85 1.22 -0.00 -1.55 0.00 -1.90 -1.82 119.26 121.05 2c3u h ALA 319 Ca -0.45 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.42 2c3u h ALA 319 Cb 1.21 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.99 2c3u h ALA 319 CO 0.86 0.06 -0.06 -1.13 0.00 0.00 0.00 179.25 178.98 2c3u n SER 320 N -3.46 0.12 -4.68 0.00 3.41 -1.26 -4.85 113.62 102.89 2c3u n SER 320 Ca -0.02 0.02 -0.42 0.00 -0.26 0.00 0.00 58.87 58.18 2c3u n SER 320 Cb 0.17 -0.29 -0.03 0.00 -0.26 0.00 0.00 64.21 63.80 2c3u n SER 320 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2c3u s ALA 321 N -2.75 3.69 -0.05 7.33 0.00 -0.69 -4.24 121.76 125.05 2c3u s ALA 321 Ca 0.22 1.31 0.14 0.00 0.00 0.00 0.00 51.96 53.62 2c3u s ALA 321 Cb 0.20 -3.76 -0.21 0.00 0.00 0.00 0.00 23.12 19.35 2c3u s ALA 321 CO 0.51 -1.27 0.23 1.63 0.00 0.00 0.00 175.76 176.86 2c3u n LYS 322 N 6.15 0.86 -3.83 0.00 5.02 0.23 -4.80 118.16 121.79 2c3u n LYS 322 Ca 0.18 -0.09 -0.15 0.00 -2.02 0.00 0.00 58.31 56.22 2c3u n LYS 322 Cb 0.40 -1.34 -0.16 0.00 -0.02 0.00 0.00 35.03 33.91 2c3u n LYS 322 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 2c3u s VAL 323 N -2.79 0.01 -0.01 -0.18 1.01 -0.57 -4.01 120.40 113.86 2c3u s VAL 323 Ca -0.06 0.15 0.01 0.00 0.00 0.00 0.00 61.98 62.09 2c3u s VAL 323 Cb 0.08 -0.11 0.00 0.00 0.00 0.00 0.00 36.38 36.34 2c3u s VAL 323 CO 0.58 0.09 -0.05 -0.51 0.00 0.00 0.00 175.10 175.22 2c3u s ILE 324 N 0.88 0.38 -0.08 2.22 2.07 -0.70 -0.95 121.20 125.03 2c3u s ILE 324 Ca -0.08 -0.18 0.04 0.00 -1.41 0.00 0.00 60.65 59.02 2c3u s ILE 324 Cb -0.11 -0.34 -0.00 0.00 0.13 0.00 0.00 42.46 42.14 2c3u s ILE 324 CO -0.02 0.12 -0.21 0.42 -1.91 0.00 0.00 174.94 173.33 2c3u s THR 325 N 0.04 1.82 -0.25 4.00 -4.23 -0.28 -0.69 115.64 116.06 2c3u s THR 325 Ca -0.00 -0.90 -0.15 0.00 -1.18 0.00 0.00 61.69 59.46 2c3u s THR 325 Cb -0.04 -1.58 -0.04 0.00 1.34 0.00 0.00 72.50 72.19 2c3u s THR 325 CO -0.00 0.51 0.35 -0.69 -0.54 0.00 0.00 174.62 174.25 2c3u s VAL 326 N 0.22 5.21 -0.24 2.29 1.01 0.04 -1.18 120.40 127.74 2c3u s VAL 326 Ca -0.12 0.55 -0.15 0.00 0.00 0.00 0.00 61.98 62.26 2c3u s VAL 326 Cb -0.16 -3.68 -0.04 0.00 0.00 0.00 0.00 36.38 32.50 2c3u s VAL 326 CO 0.06 0.21 0.36 -0.76 0.00 0.00 0.00 175.10 174.97 2c3u s LEU 327 N 1.75 4.09 -0.14 3.92 1.02 0.32 -1.51 118.68 128.13 2c3u s LEU 327 Ca 0.15 0.36 -0.01 0.00 0.02 0.00 0.00 54.13 54.65 2c3u s LEU 327 Cb -0.15 -2.43 -0.02 0.00 0.02 0.00 0.00 46.19 43.62 2c3u s LEU 327 CO 0.09 -0.12 -0.12 -1.81 0.02 0.00 0.00 176.35 174.41 2c3u s ASP 328 N 1.35 4.09 -0.60 2.29 1.01 -0.07 -4.55 116.67 120.19 2c3u s ASP 328 Ca 0.16 -0.31 -0.03 0.00 0.71 0.00 0.00 52.55 53.08 2c3u s ASP 328 Cb -0.15 -1.63 0.21 0.00 1.01 0.00 0.00 42.92 42.35 2c3u s ASP 328 CO 0.09 0.16 2.39 -1.14 0.21 0.00 0.00 175.17 176.88 2c3u n ARG 329 N 3.60 2.50 -3.87 8.23 0.63 -1.26 -2.92 116.66 123.58 2c3u n ARG 329 Ca -0.18 -2.78 -0.09 0.00 -0.92 0.00 0.00 57.85 53.88 2c3u n ARG 329 Cb 0.53 -2.16 -0.00 0.00 0.45 0.00 0.00 32.46 31.27 2c3u n ARG 329 CO 0.00 0.00 0.00 -0.08 -2.51 0.00 0.00 177.63 175.04 2c3u s THR 330 N -3.47 0.00 -0.06 5.15 -1.32 -1.26 -1.21 115.64 113.47 2c3u s THR 330 Ca 0.55 -1.09 -0.02 0.00 -1.21 0.00 0.00 61.69 59.91 2c3u s THR 330 Cb 0.40 -2.56 0.03 0.00 -1.51 0.00 0.00 72.50 68.87 2c3u s THR 330 CO -0.26 0.00 0.06 -0.75 -2.21 0.00 0.00 174.62 171.45 2c3u s LYS 331 N -2.96 -0.02 -0.51 7.08 2.47 -1.26 -4.84 119.74 119.69 2c3u s LYS 331 Ca 0.16 0.31 0.00 0.00 -1.56 0.00 0.00 55.97 54.89 2c3u s LYS 331 Cb -0.05 -0.68 0.13 0.00 -1.46 0.00 0.00 37.83 35.78 2c3u s LYS 331 CO 0.11 -0.36 0.29 -1.21 0.16 0.00 0.00 175.35 174.33 2c3u s GLU 332 N 2.15 2.13 0.08 4.03 2.02 -1.26 -5.07 118.70 122.78 2c3u s GLU 332 Ca 0.05 -2.35 -0.36 0.00 0.02 0.00 0.00 54.97 52.32 2c3u s GLU 332 Cb -0.12 -3.50 -0.16 0.00 0.10 0.00 0.00 34.13 30.44 2c3u s GLU 332 CO -0.04 -1.10 1.41 -2.30 0.02 0.00 0.00 175.26 173.25 2c3u n PRO 333 N 3.66 1.34 0.00 0.39 -0.02 -1.26 -1.69 135.00 137.42 2c3u n PRO 333 Ca 0.05 0.48 0.00 0.00 -2.02 0.00 0.00 63.50 62.01 2c3u n PRO 333 Cb 0.37 -2.15 0.00 0.00 -0.02 0.00 0.00 33.50 31.70 2c3u n PRO 333 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2c3u n GLY 334 N 2.79 2.76 3.78 -1.23 0.00 -1.26 -5.03 105.19 107.00 2c3u n GLY 334 Ca 0.19 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.85 2c3u n GLY 334 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2c3u s ALA 335 N -2.04 2.88 -0.72 4.61 0.00 -0.68 -4.90 121.76 120.91 2c3u s ALA 335 Ca 0.00 0.77 0.15 0.00 0.00 0.00 0.00 51.96 52.88 2c3u s ALA 335 Cb 0.00 -3.32 0.66 0.00 0.00 0.00 0.00 23.12 20.46 2c3u s ALA 335 CO 0.00 -0.52 1.45 -0.35 0.00 0.00 0.00 175.76 176.34 2c3u n PRO 336 N -0.81 0.08 0.00 0.00 -0.04 -1.26 -4.80 135.00 128.16 2c3u n PRO 336 Ca 0.09 0.43 0.00 0.00 -0.04 0.00 0.00 63.50 63.98 2c3u n PRO 336 Cb 0.50 -1.68 0.00 0.00 -0.04 0.00 0.00 33.50 32.28 2c3u n PRO 336 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2c3u n GLY 337 N -0.60 0.77 3.80 0.55 0.00 -1.26 -5.09 105.19 103.36 2c3u n GLY 337 Ca 0.01 -0.68 -0.30 0.00 0.00 0.00 0.00 46.02 45.05 2c3u n GLY 337 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2c3u s ASP 338 N 0.00 4.20 0.12 1.61 1.01 -1.26 -4.77 116.67 117.58 2c3u s ASP 338 Ca 0.00 1.19 -0.25 0.00 0.71 0.00 0.00 52.55 54.20 2c3u s ASP 338 Cb 0.00 -1.87 -0.06 0.00 1.01 0.00 0.00 42.92 42.00 2c3u s ASP 338 CO 0.00 -2.14 1.42 -0.65 0.21 0.00 0.00 175.17 174.02 2c3u h PRO 339 N -1.21 -0.05 -0.59 8.23 0.11 -1.99 -1.86 132.00 134.64 2c3u h PRO 339 Ca -0.48 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.62 2c3u h PRO 339 Cb 1.29 0.01 -0.03 0.00 0.11 0.00 0.00 31.00 32.38 2c3u h PRO 339 CO 0.60 -0.04 0.32 1.25 -0.21 0.00 0.00 178.00 179.93 2c3u h LEU 340 N -0.06 0.74 -0.25 2.35 5.85 -1.94 -1.77 115.31 120.24 2c3u h LEU 340 Ca 0.11 -0.10 0.05 0.00 0.84 0.00 0.00 57.88 58.79 2c3u h LEU 340 Cb 0.35 -0.19 -0.05 0.00 0.37 0.00 0.00 40.66 41.14 2c3u h LEU 340 CO -0.69 0.62 -0.05 0.22 -0.34 0.00 0.00 178.44 178.20 2c3u h TYR 341 N 0.80 -0.11 -0.75 1.25 3.20 -1.82 -0.68 116.97 118.85 2c3u h TYR 341 Ca 0.21 0.02 0.06 0.00 3.14 0.00 0.00 58.73 62.16 2c3u h TYR 341 Cb 0.05 0.09 -0.06 0.00 1.54 0.00 0.00 36.73 38.35 2c3u h TYR 341 CO -0.01 -0.10 0.45 -0.07 -1.64 0.00 0.00 178.16 176.79 2c3u h LEU 342 N 0.01 0.69 -0.33 2.82 4.07 -0.99 0.12 115.31 121.69 2c3u h LEU 342 Ca 0.12 0.02 -0.02 0.00 0.08 0.00 0.00 57.88 58.08 2c3u h LEU 342 Cb 0.18 -0.12 -0.01 0.00 1.08 0.00 0.00 40.66 41.79 2c3u h LEU 342 CO -0.25 0.44 0.14 0.44 -1.08 0.00 0.00 178.44 178.13 2c3u h ASP 343 N 0.82 0.46 -0.59 -0.43 3.32 -0.61 -1.63 116.42 117.76 2c3u h ASP 343 Ca 0.33 -0.16 -0.03 0.00 0.02 0.00 0.00 57.03 57.19 2c3u h ASP 343 Cb 0.17 -0.12 -0.03 0.00 0.22 0.00 0.00 39.33 39.58 2c3u h ASP 343 CO -0.17 0.49 0.23 0.58 -1.72 0.00 0.00 179.24 178.66 2c3u h VAL 344 N 0.39 1.23 -0.57 -1.35 2.07 -0.69 -1.71 116.25 115.63 2c3u h VAL 344 Ca 0.11 -0.71 0.06 0.00 0.82 0.00 0.00 66.70 66.98 2c3u h VAL 344 Cb 0.18 0.59 -0.05 0.00 -1.52 0.00 0.00 31.29 30.48 2c3u h VAL 344 CO -0.01 0.28 0.27 0.00 0.02 0.00 0.00 177.57 178.13 2c3u h SER 346 N 0.51 1.08 -0.61 0.00 4.64 -0.71 -2.06 113.55 116.40 2c3u h SER 346 Ca 0.26 -0.05 0.03 0.00 -0.47 0.00 0.00 61.79 61.57 2c3u h SER 346 Cb 0.21 -0.27 -0.04 0.00 -0.31 0.00 0.00 62.40 61.99 2c3u h SER 346 CO -0.20 0.81 0.37 0.00 -0.87 0.00 0.00 176.83 176.94 2c3u h ALA 347 N 1.38 0.80 -0.40 5.18 0.00 -0.45 -1.44 119.26 124.32 2c3u h ALA 347 Ca 0.33 -0.01 -0.09 0.00 0.00 0.00 0.00 54.91 55.14 2c3u h ALA 347 Cb -0.10 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.50 2c3u h ALA 347 CO -0.07 0.10 -0.12 0.74 0.00 0.00 0.00 179.25 179.91 2c3u h PHE 348 N 0.73 0.89 -0.01 0.00 -1.00 -1.00 -0.89 116.94 115.67 2c3u h PHE 348 Ca 0.25 -0.20 -0.09 0.00 2.81 0.00 0.00 57.97 60.74 2c3u h PHE 348 Cb 0.04 -0.21 -0.01 0.00 3.61 0.00 0.00 35.95 39.37 2c3u h PHE 348 CO -0.06 0.93 -0.44 -0.39 -1.61 0.00 0.00 178.31 176.74 2c3u h VAL 349 N 0.59 1.32 -0.11 -0.55 -1.51 -1.27 -1.98 116.25 112.74 2c3u h VAL 349 Ca 0.10 -1.50 -0.18 0.00 -1.23 0.00 0.00 66.70 63.88 2c3u h VAL 349 Cb 0.65 1.80 -0.00 0.00 -2.13 0.00 0.00 31.29 31.61 2c3u h VAL 349 CO 0.04 0.43 -0.68 -0.08 -1.23 0.00 0.00 177.57 176.05 2c3u h GLU 350 N 0.01 0.46 -0.50 5.19 4.81 -1.10 -2.78 114.58 120.66 2c3u h GLU 350 Ca -0.00 -0.35 -0.06 0.00 -0.13 0.00 0.00 59.36 58.82 2c3u h GLU 350 Cb 0.78 0.07 -0.02 0.00 0.63 0.00 0.00 28.75 30.20 2c3u h GLU 350 CO 0.06 0.98 0.07 -0.09 -0.73 0.00 0.00 179.01 179.30 2c3u h ARG 351 N 0.33 0.79 -5.91 1.92 2.43 -0.79 -3.47 114.38 109.68 2c3u h ARG 351 Ca -0.02 -0.18 -0.41 0.00 -0.81 0.00 0.00 59.98 58.56 2c3u h ARG 351 Cb 1.25 -0.11 0.11 0.00 -0.42 0.00 0.00 29.97 30.80 2c3u h ARG 351 CO 0.12 0.75 -0.70 0.41 -1.51 0.00 0.00 179.97 179.04 2c3u n GLY 352 N -0.78 -0.52 0.00 2.80 0.00 -0.78 -4.96 105.19 100.95 2c3u n GLY 352 Ca 0.03 0.23 0.00 0.00 0.00 0.00 0.00 46.02 46.29 2c3u n GLY 352 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2c3u n GLU 353 N -4.88 0.00 -1.98 1.61 1.02 -1.26 -5.09 120.64 110.07 2c3u n GLU 353 Ca -0.02 0.00 -0.41 0.00 -0.02 0.00 0.00 57.16 56.71 2c3u n GLU 353 Cb 0.57 0.00 -0.02 0.00 -0.02 0.00 0.00 31.44 31.97 2c3u n GLU 353 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2c3u s ALA 354 N -2.00 3.63 -0.58 0.62 0.00 -1.26 -4.97 121.76 117.20 2c3u s ALA 354 Ca 0.00 1.37 0.00 0.00 0.00 0.00 0.00 51.96 53.33 2c3u s ALA 354 Cb 0.00 -3.57 0.15 0.00 0.00 0.00 0.00 23.12 19.70 2c3u s ALA 354 CO 0.00 -0.79 0.36 -1.64 0.00 0.00 0.00 175.76 173.70 2c3u s MET 355 N -0.59 2.31 0.00 0.00 -1.94 -1.26 -5.01 119.30 112.82 2c3u s MET 355 Ca 0.59 -2.56 0.00 0.00 -1.71 0.00 0.00 55.69 52.01 2c3u s MET 355 Cb -0.43 -3.56 0.00 0.00 2.01 0.00 0.00 34.83 32.85 2c3u s MET 355 CO 0.46 -1.14 0.38 -0.35 -0.01 0.00 0.00 175.02 174.35 2c3u n PRO 356 N 3.34 0.52 -2.47 2.03 -0.04 -1.26 -4.93 135.00 132.19 2c3u n PRO 356 Ca 0.07 0.00 -0.03 0.00 -0.04 0.00 0.00 63.50 63.49 2c3u n PRO 356 Cb 0.36 -1.25 -0.03 0.00 -0.04 0.00 0.00 33.50 32.54 2c3u n PRO 356 CO 0.00 0.00 0.00 1.17 -0.04 0.00 0.00 175.50 176.63 2c3u n LYS 357 N 0.46 -4.87 -4.62 0.54 3.00 -1.26 -3.16 118.16 108.25 2c3u n LYS 357 Ca 0.00 3.60 -0.34 0.00 -0.00 0.00 0.00 58.31 61.58 2c3u n LYS 357 Cb 0.19 -4.90 -0.12 0.00 0.00 0.00 0.00 35.03 30.20 2c3u n LYS 357 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.40 177.82 2c3u s ILE 358 N -0.63 3.64 0.10 3.15 1.01 -1.26 -1.72 121.20 125.49 2c3u s ILE 358 Ca -0.16 -0.49 0.10 0.00 0.00 0.00 0.00 60.65 60.10 2c3u s ILE 358 Cb 0.01 -2.50 -0.04 0.00 0.01 0.00 0.00 42.46 39.94 2c3u s ILE 358 CO 0.43 0.58 -0.25 -0.76 0.00 0.00 0.00 174.94 174.94 2c3u s LEU 359 N -0.55 2.27 -0.08 2.97 1.02 0.13 -4.98 118.68 119.46 2c3u s LEU 359 Ca 0.08 -0.69 0.02 0.00 0.02 0.00 0.00 54.13 53.56 2c3u s LEU 359 Cb -0.12 -1.14 -0.02 0.00 0.02 0.00 0.00 46.19 44.92 2c3u s LEU 359 CO 0.02 0.17 -0.12 0.00 0.02 0.00 0.00 176.35 176.44 2c3u s ALA 360 N -1.01 2.75 0.01 4.21 0.00 -1.26 -0.78 121.76 125.68 2c3u s ALA 360 Ca 0.11 -0.93 0.01 0.00 0.00 0.00 0.00 51.96 51.16 2c3u s ALA 360 Cb -0.10 -1.12 -0.01 0.00 0.00 0.00 0.00 23.12 21.90 2c3u s ALA 360 CO 0.05 0.48 -0.05 0.20 0.00 0.00 0.00 175.76 176.43 2c3u s GLY 361 N -0.46 0.26 -0.07 0.00 0.00 -0.57 -1.42 107.32 105.07 2c3u s GLY 361 Ca 0.06 -0.31 0.01 0.00 0.00 0.00 0.00 44.72 44.49 2c3u s GLY 361 CO 0.02 -0.29 -0.09 -1.60 0.00 0.00 0.00 173.10 171.13 2c3u s ARG 362 N -0.42 2.76 0.26 2.90 3.52 -0.02 -0.89 118.95 127.05 2c3u s ARG 362 Ca -0.01 -0.60 -0.11 0.00 -0.13 0.00 0.00 55.73 54.88 2c3u s ARG 362 Cb -0.03 -2.55 -0.00 0.00 -1.56 0.00 0.00 34.95 30.81 2c3u s ARG 362 CO -0.00 0.61 0.48 1.52 -0.81 0.00 0.00 175.30 177.10 2c3u s TYR 363 N -0.67 0.46 -0.72 5.12 1.13 -1.15 -1.48 117.35 120.04 2c3u s TYR 363 Ca 0.10 -0.81 0.00 0.00 -1.41 0.00 0.00 57.07 54.95 2c3u s TYR 363 Cb -0.11 0.16 0.00 0.00 -1.10 0.00 0.00 41.96 40.91 2c3u s TYR 363 CO 0.01 -1.02 0.00 0.41 -2.51 0.00 0.00 175.55 172.44 2c3u n GLY 364 N -0.41 0.33 3.70 5.49 0.00 -1.26 -4.45 105.19 108.60 2c3u n GLY 364 Ca -0.01 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.58 2c3u n GLY 364 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2c3u n LEU 365 N -1.84 3.56 -3.83 0.99 4.32 -1.26 -2.39 117.00 116.55 2c3u n LEU 365 Ca -0.08 1.19 -0.26 0.00 -0.02 0.00 0.00 56.01 56.85 2c3u n LEU 365 Cb 0.34 -1.49 0.02 0.00 -1.62 0.00 0.00 43.42 40.67 2c3u n LEU 365 CO 0.11 -0.42 -0.03 0.61 -1.22 0.00 0.00 177.39 176.44 2c3u n GLY 366 N 1.08 -0.36 2.50 -0.72 0.00 -1.19 -1.30 105.19 105.20 2c3u n GLY 366 Ca 0.06 0.15 -0.20 0.00 0.00 0.00 0.00 46.02 46.03 2c3u n GLY 366 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2c3u n SER 367 N -2.95 -5.45 -4.72 1.61 7.64 0.15 -4.53 113.62 105.37 2c3u n SER 367 Ca -0.17 0.33 -0.43 0.00 1.01 0.00 0.00 58.87 59.62 2c3u n SER 367 Cb 0.62 -4.73 -0.01 0.00 -1.01 0.00 0.00 64.21 59.07 2c3u n SER 367 CO 0.00 0.00 0.00 1.17 -3.01 0.00 0.00 175.04 173.20 2c3u n LYS 368 N -2.56 2.38 -1.62 1.43 3.00 -0.42 -4.86 118.16 115.52 2c3u n LYS 368 Ca -0.21 0.84 -0.44 0.00 -0.00 0.00 0.00 58.31 58.50 2c3u n LYS 368 Cb 0.67 -2.53 -0.01 0.00 0.00 0.00 0.00 35.03 33.15 2c3u n LYS 368 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.40 177.79 2c3u n GLU 369 N 1.40 1.56 -3.61 1.64 -0.58 -1.26 -4.22 120.64 115.56 2c3u n GLU 369 Ca 0.07 0.55 -0.28 0.00 -0.42 0.00 0.00 57.16 57.07 2c3u n GLU 369 Cb 0.36 -1.98 -0.12 0.00 -0.57 0.00 0.00 31.44 29.13 2c3u n GLU 369 CO 0.00 0.00 0.00 0.12 -0.48 0.00 0.00 177.13 176.77 2c3u s PHE 370 N -1.08 1.80 0.68 -0.32 2.19 -1.26 -4.65 117.98 115.34 2c3u s PHE 370 Ca 0.58 -2.44 -0.03 0.00 0.33 0.00 0.00 56.93 55.37 2c3u s PHE 370 Cb -0.66 -1.59 0.08 0.00 -1.31 0.00 0.00 43.02 39.55 2c3u s PHE 370 CO 0.60 -0.76 0.96 -1.54 1.83 0.00 0.00 175.22 176.31 2c3u s SER 371 N 0.04 4.71 0.33 6.13 1.04 -1.26 -4.77 113.70 119.92 2c3u s SER 371 Ca 0.24 0.08 0.02 0.00 0.48 0.00 0.00 55.95 56.76 2c3u s SER 371 Cb -0.12 -0.68 0.59 0.00 0.10 0.00 0.00 66.02 65.91 2c3u s SER 371 CO -0.09 -1.61 1.96 -0.65 0.98 0.00 0.00 173.24 173.83 2c3u h PRO 372 N -0.45 0.91 -0.51 4.02 0.11 -1.97 -1.44 132.00 132.67 2c3u h PRO 372 Ca -0.42 -0.05 -0.01 0.00 0.11 0.00 0.00 66.00 65.63 2c3u h PRO 372 Cb 1.29 -0.20 -0.03 0.00 0.11 0.00 0.00 31.00 32.17 2c3u h PRO 372 CO 0.51 0.60 0.26 0.00 -0.21 0.00 0.00 178.00 179.15 2c3u h ALA 373 N 1.55 1.50 -0.26 -0.75 0.00 -1.93 0.24 119.26 119.61 2c3u h ALA 373 Ca 0.31 -0.10 -0.16 0.00 0.00 0.00 0.00 54.91 54.97 2c3u h ALA 373 Cb 0.07 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 2c3u h ALA 373 CO -0.09 0.41 -0.48 0.52 0.00 0.00 0.00 179.25 179.61 2c3u h MET 374 N 0.71 0.70 -0.66 0.00 2.86 -1.65 -0.65 114.93 116.24 2c3u h MET 374 Ca 0.18 -0.41 -0.08 0.00 -2.06 0.00 0.00 59.70 57.33 2c3u h MET 374 Cb 0.06 0.03 -0.03 0.00 0.06 0.00 0.00 31.60 31.72 2c3u h MET 374 CO -0.03 1.02 0.09 0.28 1.06 0.00 0.00 176.91 179.34 2c3u h VAL 375 N 0.56 1.26 -0.29 -2.22 2.07 -0.62 -1.18 116.25 115.84 2c3u h VAL 375 Ca 0.03 -1.06 0.03 0.00 0.82 0.00 0.00 66.70 66.52 2c3u h VAL 375 Cb 1.03 0.65 -0.03 0.00 -1.52 0.00 0.00 31.29 31.43 2c3u h VAL 375 CO 0.10 0.40 0.10 0.50 0.02 0.00 0.00 177.57 178.69 2c3u h LYS 376 N 1.03 0.23 -0.24 1.57 1.63 -0.69 -0.17 116.57 119.93 2c3u h LYS 376 Ca 0.20 -0.01 0.06 0.00 -0.85 0.00 0.00 60.65 60.05 2c3u h LYS 376 Cb 0.46 -0.05 -0.06 0.00 -0.60 0.00 0.00 32.23 31.98 2c3u h LYS 376 CO 0.02 0.15 -0.18 0.77 -3.45 0.00 0.00 179.45 176.75 2c3u h SER 377 N 0.23 -0.59 -0.50 4.20 0.02 -0.55 0.24 113.55 116.61 2c3u h SER 377 Ca 0.13 0.12 0.06 0.00 -0.84 0.00 0.00 61.79 61.25 2c3u h SER 377 Cb 0.09 0.29 -0.05 0.00 0.14 0.00 0.00 62.40 62.88 2c3u h SER 377 CO -0.13 -0.22 0.22 0.58 -1.14 0.00 0.00 176.83 176.14 2c3u h VAL 378 N -0.18 0.90 -0.65 2.27 2.07 -0.60 0.12 116.25 120.18 2c3u h VAL 378 Ca 0.14 -0.15 -0.09 0.00 0.82 0.00 0.00 66.70 67.42 2c3u h VAL 378 Cb 0.38 0.43 -0.02 0.00 -1.52 0.00 0.00 31.29 30.56 2c3u h VAL 378 CO -0.34 0.08 0.07 1.88 0.02 0.00 0.00 177.57 179.27 2c3u h TYR 379 N 0.43 1.19 -0.08 1.57 -1.99 -0.21 -2.51 116.97 115.36 2c3u h TYR 379 Ca 0.23 -0.18 -0.07 0.00 2.00 0.00 0.00 58.73 60.71 2c3u h TYR 379 Cb 0.19 -0.32 -0.01 0.00 2.00 0.00 0.00 36.73 38.59 2c3u h TYR 379 CO -0.13 1.01 -0.27 -0.44 -0.00 0.00 0.00 178.16 178.33 2c3u h ASP 380 N 1.02 0.14 -0.89 3.88 3.32 -0.01 -2.78 116.42 121.11 2c3u h ASP 380 Ca 0.19 -0.04 -0.01 0.00 0.02 0.00 0.00 57.03 57.19 2c3u h ASP 380 Cb 0.49 -0.04 -0.04 0.00 0.22 0.00 0.00 39.33 39.96 2c3u h ASP 380 CO 0.02 0.42 0.51 -1.13 -1.72 0.00 0.00 179.24 177.34 2c3u h ASN 381 N 0.13 1.09 0.41 6.45 -1.24 -0.33 0.20 115.58 122.30 2c3u h ASN 381 Ca 0.02 -0.08 -0.03 0.00 0.71 0.00 0.00 56.30 56.91 2c3u h ASN 381 Cb 0.55 -0.28 -0.00 0.00 0.73 0.00 0.00 38.32 39.32 2c3u h ASN 381 CO 0.04 0.86 -0.15 0.24 -1.29 0.00 0.00 177.43 177.12 2c3u h MET 382 N 1.23 0.00 0.00 6.67 2.86 -1.36 0.42 114.93 124.75 2c3u h MET 382 Ca 0.32 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.96 2c3u h MET 382 Cb -0.01 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.65 2c3u h MET 382 CO -0.05 0.15 -1.43 -1.13 1.06 0.00 0.00 176.91 175.51 2c3u n SER 383 N -3.69 0.55 0.00 1.22 3.41 -0.92 -4.82 113.62 109.37 2c3u n SER 383 Ca -0.02 -0.52 0.00 0.00 -0.26 0.00 0.00 58.87 58.07 2c3u n SER 383 Cb 0.27 1.41 0.00 0.00 -0.26 0.00 0.00 64.21 65.63 2c3u n SER 383 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2c3u n GLY 384 N 1.39 0.67 0.31 5.00 0.00 0.67 -4.94 105.19 108.29 2c3u n GLY 384 Ca 0.00 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.07 2c3u n GLY 384 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2c3u h ALA 385 N -1.37 1.75 -4.98 4.61 0.00 -1.80 -3.47 119.26 114.00 2c3u h ALA 385 Ca 0.00 -0.03 -0.29 0.00 0.00 0.00 0.00 54.91 54.59 2c3u h ALA 385 Cb 0.00 -0.15 0.13 0.00 0.00 0.00 0.00 17.79 17.77 2c3u h ALA 385 CO 0.00 0.21 -0.60 1.63 0.00 0.00 0.00 179.25 180.49 2c3u n LYS 386 N -4.48 -5.86 -2.03 0.00 5.02 0.10 -4.94 118.16 105.98 2c3u n LYS 386 Ca 0.04 0.69 -0.41 0.00 -2.02 0.00 0.00 58.31 56.60 2c3u n LYS 386 Cb 0.09 -5.27 -0.02 0.00 -0.02 0.00 0.00 35.03 29.82 2c3u n LYS 386 CO 0.00 0.00 0.00 0.21 -0.52 0.00 0.00 177.40 177.09 2c3u s LYS 387 N -5.48 4.28 0.25 1.97 2.20 -1.26 -5.01 119.74 116.69 2c3u s LYS 387 Ca 0.18 2.30 0.06 0.00 -0.36 0.00 0.00 55.97 58.16 2c3u s LYS 387 Cb -0.08 -3.08 -0.03 0.00 -1.51 0.00 0.00 37.83 33.12 2c3u s LYS 387 CO 0.60 -0.35 0.24 1.21 -0.36 0.00 0.00 175.35 176.69 2c3u s ASN 388 N 0.03 5.74 -1.36 1.43 3.84 -1.26 -4.56 114.94 118.79 2c3u s ASN 388 Ca 0.55 -0.16 -0.06 0.00 0.21 0.00 0.00 52.86 53.40 2c3u s ASN 388 Cb -0.42 -1.52 0.00 0.00 -0.55 0.00 0.00 41.25 38.76 2c3u s ASN 388 CO 0.48 -0.05 0.45 1.41 -2.79 0.00 0.00 177.10 176.60 2c3u n HIS 389 N -1.25 -1.63 -2.79 0.43 8.25 -0.51 -4.93 115.22 112.79 2c3u n HIS 389 Ca -0.08 0.64 -0.20 0.00 -0.26 0.00 0.00 57.72 57.82 2c3u n HIS 389 Cb 0.58 -3.54 0.05 0.00 1.12 0.00 0.00 29.99 28.20 2c3u n HIS 389 CO 0.00 0.00 0.00 -0.59 0.64 0.00 0.00 176.34 176.39 2c3u s PHE 390 N -3.90 2.31 0.04 4.41 -0.12 -0.90 -4.91 117.98 114.92 2c3u s PHE 390 Ca 0.11 -0.30 0.05 0.00 -0.05 0.00 0.00 56.93 56.74 2c3u s PHE 390 Cb -0.04 -2.61 -0.02 0.00 -0.63 0.00 0.00 43.02 39.72 2c3u s PHE 390 CO 0.90 -0.99 -0.15 0.95 -0.05 0.00 0.00 175.22 175.88 2c3u s THR 391 N -2.72 1.17 -0.05 -4.49 -4.23 -0.24 -0.84 115.64 104.24 2c3u s THR 391 Ca 0.59 -1.03 0.02 0.00 -1.18 0.00 0.00 61.69 60.10 2c3u s THR 391 Cb -0.08 -1.06 0.01 0.00 1.34 0.00 0.00 72.50 72.71 2c3u s THR 391 CO 0.38 0.02 -0.09 -0.69 -0.54 0.00 0.00 174.62 173.70 2c3u s VAL 392 N -0.85 0.88 0.00 2.29 1.01 -0.55 -1.55 120.40 121.63 2c3u s VAL 392 Ca 0.02 -0.36 0.00 0.00 0.00 0.00 0.00 61.98 61.64 2c3u s VAL 392 Cb -0.08 -0.81 0.00 0.00 0.00 0.00 0.00 36.38 35.49 2c3u s VAL 392 CO 0.01 0.29 0.00 0.61 0.00 0.00 0.00 175.10 176.01 2c3u n GLY 393 N 3.66 1.39 3.27 4.51 0.00 -1.26 -4.34 105.19 112.42 2c3u n GLY 393 Ca -0.22 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.65 2c3u n GLY 393 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2c3u s ILE 394 N -2.01 0.34 -0.40 -0.61 -0.00 -1.26 -4.95 121.20 112.31 2c3u s ILE 394 Ca 0.00 -2.00 -0.06 0.00 -0.00 0.00 0.00 60.65 58.59 2c3u s ILE 394 Cb 0.00 -2.58 0.08 0.00 -0.00 0.00 0.00 42.46 39.96 2c3u s ILE 394 CO 0.00 0.00 0.21 -0.70 -0.00 0.00 0.00 174.94 174.45 2c3u s GLU 395 N -4.07 2.42 -1.09 0.37 2.12 -1.26 -4.70 118.70 112.49 2c3u s GLU 395 Ca 0.38 -1.53 -0.15 0.00 0.36 0.00 0.00 54.97 54.03 2c3u s GLU 395 Cb 0.07 -3.64 0.17 0.00 0.26 0.00 0.00 34.13 30.99 2c3u s GLU 395 CO 0.13 -0.94 1.27 0.34 -0.54 0.00 0.00 175.26 175.53 2c3u s ASP 396 N 1.91 6.92 0.00 -1.70 3.68 -1.26 -1.85 116.67 124.38 2c3u s ASP 396 Ca 0.03 -2.69 0.29 0.00 2.13 0.00 0.00 52.55 52.30 2c3u s ASP 396 Cb -0.22 -2.38 1.17 0.00 -1.45 0.00 0.00 42.92 40.04 2c3u s ASP 396 CO -0.00 -0.82 1.81 -0.90 0.13 0.00 0.00 175.17 175.39 2c3u n ASP 397 N 5.67 1.13 -0.10 -0.34 5.75 -1.26 -0.98 116.55 126.42 2c3u n ASP 397 Ca 0.30 -1.28 -0.18 0.00 -0.01 0.00 0.00 54.79 53.62 2c3u n ASP 397 Cb 0.45 0.01 -0.13 0.00 -1.03 0.00 0.00 41.12 40.42 2c3u n ASP 397 CO 0.00 0.00 0.00 1.33 -0.11 0.00 0.00 177.20 178.42 2c3u n VAL 398 N -0.19 1.55 0.44 2.12 0.24 -1.26 -4.63 118.33 116.59 2c3u n VAL 398 Ca 0.19 -0.60 0.05 0.00 -2.04 0.00 0.00 64.34 61.93 2c3u n VAL 398 Cb 0.31 -1.44 -0.04 0.00 -1.47 0.00 0.00 33.84 31.20 2c3u n VAL 398 CO 0.00 0.00 0.00 0.35 -2.14 0.00 0.00 176.83 175.04 2c3u n THR 399 N -3.28 0.00 -2.79 3.34 -2.24 -1.26 -5.03 114.28 103.03 2c3u n THR 399 Ca -0.42 -0.32 -0.17 0.00 -2.27 0.00 0.00 64.05 60.87 2c3u n THR 399 Cb 1.01 1.04 0.02 0.00 -2.10 0.00 0.00 70.33 70.30 2c3u n THR 399 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2c3u n GLY 400 N 1.11 -0.23 0.20 3.38 0.00 -0.15 -4.93 105.19 104.59 2c3u n GLY 400 Ca 0.02 -0.11 0.12 0.00 0.00 0.00 0.00 46.02 46.06 2c3u n GLY 400 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2c3u n THR 401 N -4.19 0.00 -2.94 2.61 -2.24 -1.25 -4.96 114.28 101.31 2c3u n THR 401 Ca -0.09 -0.10 -0.34 0.00 -2.27 0.00 0.00 64.05 61.24 2c3u n THR 401 Cb 0.60 0.50 -0.06 0.00 -2.10 0.00 0.00 70.33 69.26 2c3u n THR 401 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 2c3u s SER 402 N -2.65 7.02 -0.02 3.42 1.04 -1.26 -1.08 113.70 120.17 2c3u s SER 402 Ca 0.19 1.58 -0.18 0.00 0.48 0.00 0.00 55.95 58.02 2c3u s SER 402 Cb 0.18 -2.49 -0.05 0.00 0.10 0.00 0.00 66.02 63.76 2c3u s SER 402 CO 0.59 -0.18 0.51 -0.76 0.98 0.00 0.00 173.24 174.39 2c3u s LEU 403 N -2.64 4.42 0.46 2.42 1.02 -0.59 -4.88 118.68 118.89 2c3u s LEU 403 Ca 0.54 1.04 -0.23 0.00 0.02 0.00 0.00 54.13 55.50 2c3u s LEU 403 Cb -0.13 -2.77 -0.07 0.00 0.02 0.00 0.00 46.19 43.23 2c3u s LEU 403 CO 0.18 0.17 1.16 -2.16 0.02 0.00 0.00 176.35 175.72 2c3u s PRO 404 N -0.38 3.74 -0.13 1.29 0.04 -1.26 -4.75 135.00 133.55 2c3u s PRO 404 Ca 0.27 1.76 0.02 0.00 0.04 0.00 0.00 61.00 63.10 2c3u s PRO 404 Cb -0.17 -2.39 0.01 0.00 0.04 0.00 0.00 34.50 31.99 2c3u s PRO 404 CO 0.15 -0.56 -0.18 0.08 0.04 0.00 0.00 177.00 176.53 2c3u s VAL 405 N -1.56 1.74 -0.51 -0.36 1.01 -1.26 -4.81 120.40 114.66 2c3u s VAL 405 Ca 0.64 -0.78 -0.17 0.00 0.00 0.00 0.00 61.98 61.67 2c3u s VAL 405 Cb -0.28 -1.57 0.08 0.00 0.00 0.00 0.00 36.38 34.61 2c3u s VAL 405 CO 0.34 0.49 0.52 -0.62 0.00 0.00 0.00 175.10 175.82 2c3u s ASP 406 N 0.97 6.18 0.00 3.32 3.68 -1.26 -4.94 116.67 124.62 2c3u s ASP 406 Ca -0.05 -1.32 0.13 0.00 2.13 0.00 0.00 52.55 53.44 2c3u s ASP 406 Cb -0.15 -2.23 0.80 0.00 -1.45 0.00 0.00 42.92 39.89 2c3u s ASP 406 CO -0.03 -0.81 1.33 0.59 0.13 0.00 0.00 175.17 176.38 2c3u n ASN 407 N 5.61 0.00 -0.29 -0.34 3.02 -1.26 -2.54 115.26 119.46 2c3u n ASN 407 Ca -0.11 -1.06 0.13 0.00 -0.03 0.00 0.00 54.58 53.51 2c3u n ASN 407 Cb 0.43 0.00 0.61 0.00 -0.61 0.00 0.00 39.78 40.22 2c3u n ASN 407 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2c3u n ALA 408 N -0.78 2.60 -1.67 5.41 0.00 -1.26 -4.87 120.51 119.94 2c3u n ALA 408 Ca 0.10 -0.35 -0.42 0.00 0.00 0.00 0.00 53.44 52.78 2c3u n ALA 408 Cb 0.05 -1.27 0.01 0.00 0.00 0.00 0.00 19.45 18.24 2c3u n ALA 408 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2c3u n PHE 409 N -0.26 1.87 -1.94 0.00 -0.00 -1.05 -4.92 117.46 111.16 2c3u n PHE 409 Ca 0.19 0.54 -0.33 0.00 -0.00 0.00 0.00 57.45 57.84 2c3u n PHE 409 Cb 0.24 -2.34 0.03 0.00 -0.00 0.00 0.00 39.48 37.41 2c3u n PHE 409 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 2c3u s ALA 410 N -1.19 2.58 0.31 3.13 0.00 -1.26 -4.97 121.76 120.37 2c3u s ALA 410 Ca 0.60 0.58 -0.29 0.00 0.00 0.00 0.00 51.96 52.85 2c3u s ALA 410 Cb -0.54 -3.31 -0.11 0.00 0.00 0.00 0.00 23.12 19.16 2c3u s ALA 410 CO 0.59 -1.05 1.53 0.34 0.00 0.00 0.00 175.76 177.17 2c3u s ASP 411 N -2.43 6.42 0.00 0.00 -1.08 -1.26 -4.92 116.67 113.40 2c3u s ASP 411 Ca 0.68 2.93 0.06 0.00 -0.52 0.00 0.00 52.55 55.70 2c3u s ASP 411 Cb -0.20 -2.64 0.13 0.00 -1.46 0.00 0.00 42.92 38.75 2c3u s ASP 411 CO 0.37 -0.85 0.98 0.35 0.52 0.00 0.00 175.17 176.54 2c3u n THR 412 N 1.61 0.62 -1.98 1.71 -2.24 -1.26 -5.03 114.28 107.71 2c3u n THR 412 Ca 0.05 -0.81 -0.37 0.00 -2.27 0.00 0.00 64.05 60.65 2c3u n THR 412 Cb 0.39 0.74 0.02 0.00 -2.10 0.00 0.00 70.33 69.38 2c3u n THR 412 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 2c3u s THR 413 N -0.83 2.51 0.74 4.28 -4.23 -1.26 -4.82 115.64 112.03 2c3u s THR 413 Ca 0.11 0.37 -0.16 0.00 -1.18 0.00 0.00 61.69 60.84 2c3u s THR 413 Cb 0.07 -3.18 -0.01 0.00 1.34 0.00 0.00 72.50 70.71 2c3u s THR 413 CO 0.09 -0.02 0.70 -2.65 -0.54 0.00 0.00 174.62 172.20 2c3u n PRO 414 N -0.96 0.31 -1.67 3.99 -0.02 -1.26 -4.86 135.00 130.54 2c3u n PRO 414 Ca 0.10 0.15 -0.46 0.00 -2.02 0.00 0.00 63.50 61.27 2c3u n PRO 414 Cb 0.47 -1.99 -0.04 0.00 -0.02 0.00 0.00 33.50 31.91 2c3u n PRO 414 CO 0.00 0.00 0.00 1.17 1.98 0.00 0.00 175.50 178.65 2c3u n LYS 415 N -1.32 2.13 -0.59 -0.52 4.81 -1.26 -2.36 118.16 119.05 2c3u n LYS 415 Ca 0.11 0.77 0.00 0.00 -0.87 0.00 0.00 58.31 58.32 2c3u n LYS 415 Cb 0.50 -2.54 0.00 0.00 0.02 0.00 0.00 35.03 33.01 2c3u n LYS 415 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2c3u n GLY 416 N 3.43 0.67 3.67 3.14 0.00 -1.26 -4.71 105.19 110.12 2c3u n GLY 416 Ca 0.17 -0.37 -0.39 0.00 0.00 0.00 0.00 46.02 45.43 2c3u n GLY 416 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2c3u s THR 417 N -2.00 5.08 -0.11 2.61 2.01 -0.99 -4.27 115.64 117.98 2c3u s THR 417 Ca 0.00 1.05 -0.17 0.00 0.31 0.00 0.00 61.69 62.88 2c3u s THR 417 Cb 0.00 -3.88 -0.05 0.00 0.01 0.00 0.00 72.50 68.58 2c3u s THR 417 CO 0.00 0.17 0.44 -0.63 -0.69 0.00 0.00 174.62 173.91 2c3u s ILE 418 N 1.60 5.18 -0.13 1.82 1.09 0.11 -4.94 121.20 125.94 2c3u s ILE 418 Ca 0.26 0.87 0.02 0.00 -1.10 0.00 0.00 60.65 60.71 2c3u s ILE 418 Cb -0.16 -3.77 0.01 0.00 -1.06 0.00 0.00 42.46 37.48 2c3u s ILE 418 CO 0.10 0.38 -0.20 -1.10 -0.10 0.00 0.00 174.94 174.02 2c3u s GLN 419 N 0.33 2.73 0.10 2.79 -0.21 -1.26 -1.40 119.66 122.74 2c3u s GLN 419 Ca 0.24 -0.75 0.09 0.00 0.02 0.00 0.00 55.36 54.96 2c3u s GLN 419 Cb -0.15 -2.23 -0.03 0.00 1.00 0.00 0.00 33.01 31.59 2c3u s GLN 419 CO 0.10 -0.02 -0.23 0.00 -2.12 0.00 0.00 175.29 173.01 2c3u s GLN 421 N -1.80 1.17 -0.08 0.00 -0.21 -0.37 -0.64 119.66 117.72 2c3u s GLN 421 Ca 0.09 -0.38 0.01 0.00 0.02 0.00 0.00 55.36 55.11 2c3u s GLN 421 Cb -0.10 -1.06 0.02 0.00 1.00 0.00 0.00 33.01 32.86 2c3u s GLN 421 CO 0.04 0.14 -0.11 -0.06 -2.12 0.00 0.00 175.29 173.18 2c3u s PHE 422 N 0.16 1.53 -0.34 0.91 0.40 -0.53 -1.21 117.98 118.91 2c3u s PHE 422 Ca -0.03 -0.65 -0.10 0.00 -0.60 0.00 0.00 56.93 55.55 2c3u s PHE 422 Cb -0.09 -1.16 0.01 0.00 0.51 0.00 0.00 43.02 42.28 2c3u s PHE 422 CO 0.01 -0.37 0.18 -1.58 0.70 0.00 0.00 175.22 174.16 2c3u s TRP 423 N 0.99 3.20 0.39 0.36 0.52 0.08 0.59 118.94 125.08 2c3u s TRP 423 Ca -0.08 -0.71 0.04 0.00 0.02 0.00 0.00 56.10 55.37 2c3u s TRP 423 Cb -0.15 -2.39 -0.05 0.00 -1.15 0.00 0.00 33.47 29.73 2c3u s TRP 423 CO -0.00 -0.53 0.06 0.20 0.02 0.00 0.00 176.95 176.70 2c3u s GLY 424 N 1.59 2.45 -0.16 0.98 0.00 0.17 -0.67 107.32 111.68 2c3u s GLY 424 Ca 0.04 -1.60 -0.05 0.00 0.00 0.00 0.00 44.72 43.10 2c3u s GLY 424 CO 0.07 -1.93 0.00 -2.27 0.00 0.00 0.00 173.10 168.96 2c3u s LEU 425 N -3.62 3.49 0.13 0.66 2.96 -1.26 -0.98 118.68 120.05 2c3u s LEU 425 Ca 0.28 -0.03 -0.35 0.00 -0.22 0.00 0.00 54.13 53.81 2c3u s LEU 425 Cb 0.06 -1.86 -0.16 0.00 0.50 0.00 0.00 46.19 44.74 2c3u s LEU 425 CO 0.14 0.19 1.28 0.61 -1.32 0.00 0.00 176.35 177.24 2c3u n GLY 426 N 3.43 0.33 1.81 7.98 0.00 0.11 -1.02 105.19 117.84 2c3u n GLY 426 Ca -0.17 0.63 0.00 0.00 0.00 0.00 0.00 46.02 46.48 2c3u n GLY 426 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2c3u n ALA 427 N 2.13 0.00 1.22 4.61 0.00 -1.26 -4.56 120.51 122.64 2c3u n ALA 427 Ca 0.17 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.74 2c3u n ALA 427 Cb 0.22 0.00 0.28 0.00 0.00 0.00 0.00 19.45 19.95 2c3u n ALA 427 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 2c3u n ASP 428 N 0.00 2.27 0.00 0.00 5.75 -0.19 -4.96 116.55 119.42 2c3u n ASP 428 Ca 0.00 -1.73 0.00 0.00 -0.01 0.00 0.00 54.79 53.05 2c3u n ASP 428 Cb 0.00 0.03 0.00 0.00 -1.03 0.00 0.00 41.12 40.12 2c3u n ASP 428 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2c3u n GLY 429 N 1.28 0.60 0.12 6.12 0.00 -1.26 -4.04 105.19 108.01 2c3u n GLY 429 Ca 0.16 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.04 2c3u n GLY 429 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 2c3u h THR 430 N 0.00 0.89 -0.11 2.61 2.02 -1.93 -1.76 112.91 114.63 2c3u h THR 430 Ca 0.00 -0.22 0.03 0.00 0.77 0.00 0.00 66.41 67.00 2c3u h THR 430 Cb 0.00 1.03 -0.04 0.00 -1.74 0.00 0.00 68.15 67.40 2c3u h THR 430 CO 0.00 0.05 -0.12 0.58 0.37 0.00 0.00 175.52 176.40 2c3u h VAL 431 N -0.32 0.68 -0.45 3.16 2.07 -1.95 -0.51 116.25 118.93 2c3u h VAL 431 Ca -0.02 0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.58 2c3u h VAL 431 Cb 0.25 0.68 -0.07 0.00 -1.52 0.00 0.00 31.29 30.62 2c3u h VAL 431 CO 0.04 0.00 0.02 1.23 0.02 0.00 0.00 177.57 178.88 2c3u h GLY 432 N -0.15 0.48 1.30 2.17 0.00 -1.97 0.14 103.07 105.05 2c3u h GLY 432 Ca 0.08 0.03 -0.02 0.00 0.00 0.00 0.00 47.33 47.43 2c3u h GLY 432 CO -0.20 -0.10 0.34 0.00 0.00 0.00 0.00 176.54 176.58 2c3u h ALA 433 N 1.38 1.36 -0.25 3.60 0.00 -0.81 -0.92 119.26 123.62 2c3u h ALA 433 Ca 0.22 -0.11 -0.04 0.00 0.00 0.00 0.00 54.91 54.98 2c3u h ALA 433 Cb 0.32 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 2c3u h ALA 433 CO -0.35 0.51 -0.01 -0.91 0.00 0.00 0.00 179.25 178.49 2c3u h ASN 434 N 0.92 0.44 -0.82 0.00 2.35 0.17 0.13 115.58 118.77 2c3u h ASN 434 Ca 0.23 -0.32 0.01 0.00 -0.55 0.00 0.00 56.30 55.67 2c3u h ASN 434 Cb 0.06 -0.12 -0.04 0.00 0.05 0.00 0.00 38.32 38.26 2c3u h ASN 434 CO -0.03 0.65 0.54 0.11 -1.65 0.00 0.00 177.43 177.05 2c3u h LYS 435 N 0.22 1.09 -0.40 0.81 1.57 -0.68 -0.24 116.57 118.95 2c3u h LYS 435 Ca 0.07 -0.07 -0.12 0.00 -1.87 0.00 0.00 60.65 58.66 2c3u h LYS 435 Cb 0.43 -0.24 -0.01 0.00 0.08 0.00 0.00 32.23 32.49 2c3u h LYS 435 CO 0.01 0.73 -0.22 1.96 -0.57 0.00 0.00 179.45 181.36 2c3u h GLN 436 N 1.12 0.79 0.00 3.15 1.08 -0.84 -2.62 115.11 117.78 2c3u h GLN 436 Ca 0.30 -0.32 -0.07 0.00 -1.45 0.00 0.00 58.65 57.12 2c3u h GLN 436 Cb -0.11 -0.04 -0.01 0.00 -0.05 0.00 0.00 27.48 27.27 2c3u h GLN 436 CO -0.06 0.94 -0.32 0.00 -0.95 0.00 0.00 178.83 178.44 2c3u h ALA 437 N 1.06 1.32 -0.36 3.87 0.00 0.35 -0.85 119.26 124.66 2c3u h ALA 437 Ca 0.10 -0.29 -0.13 0.00 0.00 0.00 0.00 54.91 54.59 2c3u h ALA 437 Cb 0.74 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.47 2c3u h ALA 437 CO 0.06 0.39 -0.27 0.82 0.00 0.00 0.00 179.25 180.25 2c3u h ILE 438 N 0.00 1.28 0.65 0.00 1.08 -0.73 -2.53 117.51 117.27 2c3u h ILE 438 Ca -0.00 -1.43 -0.03 0.00 -0.39 0.00 0.00 64.86 63.01 2c3u h ILE 438 Cb 0.62 1.41 0.01 0.00 -3.07 0.00 0.00 36.82 35.78 2c3u h ILE 438 CO 0.04 0.47 -0.31 0.11 -0.69 0.00 0.00 178.15 177.77 2c3u h LYS 439 N 0.61 -0.84 -0.71 2.37 6.56 -1.15 -0.36 116.57 123.04 2c3u h LYS 439 Ca 0.07 0.06 0.08 0.00 -1.06 0.00 0.00 60.65 59.80 2c3u h LYS 439 Cb 0.84 0.19 -0.11 0.00 -0.57 0.00 0.00 32.23 32.59 2c3u h LYS 439 CO 0.07 -0.53 -0.53 0.82 -2.06 0.00 0.00 179.45 177.22 2c3u h ILE 440 N -1.14 0.02 -0.68 1.86 1.08 -1.22 0.38 117.51 117.80 2c3u h ILE 440 Ca -0.09 0.00 -0.04 0.00 -0.39 0.00 0.00 64.86 64.34 2c3u h ILE 440 Cb 0.70 0.02 -0.03 0.00 -3.07 0.00 0.00 36.82 34.44 2c3u h ILE 440 CO 0.15 0.00 0.25 0.40 -0.69 0.00 0.00 178.15 178.25 2c3u h ILE 441 N -0.18 1.25 -0.56 -0.67 2.04 -1.51 -2.33 117.51 115.54 2c3u h ILE 441 Ca 0.15 -0.80 -0.10 0.00 1.00 0.00 0.00 64.86 65.11 2c3u h ILE 441 Cb 0.52 0.50 -0.02 0.00 -0.74 0.00 0.00 36.82 37.08 2c3u h ILE 441 CO -0.78 0.32 -0.03 1.23 0.00 0.00 0.00 178.15 178.89 2c3u h GLY 442 N 0.97 1.09 2.00 5.37 0.00 0.13 -2.42 103.07 110.22 2c3u h GLY 442 Ca 0.22 -0.83 0.00 0.00 0.00 0.00 0.00 47.33 46.73 2c3u h GLY 442 CO -0.01 0.76 0.00 -0.55 0.00 0.00 0.00 176.54 176.73 2c3u h ASP 443 N 0.89 0.00 0.00 0.19 3.45 -0.22 -3.34 116.42 117.38 2c3u h ASP 443 Ca 0.15 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.61 2c3u h ASP 443 Cb 0.58 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.35 2c3u h ASP 443 CO 0.03 0.00 -0.03 0.59 -1.57 0.00 0.00 179.24 178.26 2c3u n ASN 444 N -2.45 1.93 -3.71 6.45 3.02 -0.88 -5.06 115.26 114.56 2c3u n ASN 444 Ca 0.04 -2.47 -0.12 0.00 -0.03 0.00 0.00 54.58 52.00 2c3u n ASN 444 Cb 0.40 -0.22 -0.06 0.00 -0.61 0.00 0.00 39.78 39.30 2c3u n ASN 444 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 2c3u s THR 445 N -1.78 0.00 -2.20 3.41 -4.23 -0.92 -5.02 115.64 104.89 2c3u s THR 445 Ca 0.15 -1.59 0.20 0.00 -1.18 0.00 0.00 61.69 59.27 2c3u s THR 445 Cb 0.13 -2.44 0.46 0.00 1.34 0.00 0.00 72.50 71.99 2c3u s THR 445 CO 0.01 0.00 1.44 0.47 -0.54 0.00 0.00 174.62 176.00 2c3u n ASP 446 N -0.81 2.83 -4.77 3.99 10.43 -1.26 -4.83 116.55 122.14 2c3u n ASP 446 Ca 0.00 -1.94 -0.38 0.00 2.57 0.00 0.00 54.79 55.04 2c3u n ASP 446 Cb 0.62 -0.28 -0.03 0.00 1.84 0.00 0.00 41.12 43.28 2c3u n ASP 446 CO 0.00 0.00 0.00 -0.76 -1.07 0.00 0.00 177.20 175.37 2c3u s LEU 447 N -1.27 4.26 0.22 0.64 1.43 -1.26 -4.90 118.68 117.80 2c3u s LEU 447 Ca 0.37 2.26 -0.16 0.00 -1.03 0.00 0.00 54.13 55.56 2c3u s LEU 447 Cb 0.20 -3.98 -0.08 0.00 0.03 0.00 0.00 46.19 42.36 2c3u s LEU 447 CO 0.27 -0.52 0.66 -0.36 0.23 0.00 0.00 176.35 176.64 2c3u s PHE 448 N -1.42 3.57 0.04 0.29 0.40 0.15 -4.75 117.98 116.26 2c3u s PHE 448 Ca 0.55 1.22 0.06 0.00 -0.60 0.00 0.00 56.93 58.16 2c3u s PHE 448 Cb -0.29 -2.50 -0.02 0.00 0.51 0.00 0.00 43.02 40.72 2c3u s PHE 448 CO 0.36 0.32 -0.17 0.00 0.70 0.00 0.00 175.22 176.43 2c3u s ALA 449 N -1.61 1.45 -0.03 5.36 0.00 -1.26 -2.06 121.76 123.61 2c3u s ALA 449 Ca 0.44 -0.93 -0.02 0.00 0.00 0.00 0.00 51.96 51.45 2c3u s ALA 449 Cb -0.15 -0.26 0.01 0.00 0.00 0.00 0.00 23.12 22.73 2c3u s ALA 449 CO 0.20 0.30 0.07 -1.14 0.00 0.00 0.00 175.76 175.19 2c3u s GLN 450 N -1.14 0.06 -0.00 0.00 0.74 0.21 -2.90 119.66 116.62 2c3u s GLN 450 Ca 0.04 0.12 -0.01 0.00 0.05 0.00 0.00 55.36 55.57 2c3u s GLN 450 Cb -0.08 -0.02 -0.00 0.00 1.10 0.00 0.00 33.01 34.01 2c3u s GLN 450 CO 0.01 -0.04 0.02 0.20 -0.55 0.00 0.00 175.29 174.93 2c3u s GLY 451 N 0.27 0.02 -0.06 2.59 0.00 -0.54 -0.50 107.32 109.09 2c3u s GLY 451 Ca -0.02 -0.02 -0.06 0.00 0.00 0.00 0.00 44.72 44.62 2c3u s GLY 451 CO -0.01 -0.04 0.17 -0.47 0.00 0.00 0.00 173.10 172.74 2c3u s TYR 452 N -0.21 -0.18 -0.04 1.90 5.04 -0.45 -0.99 117.35 122.42 2c3u s TYR 452 Ca -0.02 0.44 0.05 0.00 -2.44 0.00 0.00 57.07 55.10 2c3u s TYR 452 Cb -0.02 0.06 -0.01 0.00 0.35 0.00 0.00 41.96 42.35 2c3u s TYR 452 CO -0.00 -0.09 -0.18 -0.06 -1.34 0.00 0.00 175.55 173.88 2c3u s PHE 453 N 0.09 1.75 -0.13 4.97 0.40 -1.26 -1.37 117.98 122.43 2c3u s PHE 453 Ca -0.00 -0.46 -0.04 0.00 -0.60 0.00 0.00 56.93 55.83 2c3u s PHE 453 Cb -0.01 -1.17 -0.03 0.00 0.51 0.00 0.00 43.02 42.32 2c3u s PHE 453 CO 0.00 -0.13 0.01 -1.12 0.70 0.00 0.00 175.22 174.68 2c3u s SER 454 N -0.10 5.22 0.00 1.36 0.01 -1.00 -5.01 113.70 114.18 2c3u s SER 454 Ca -0.01 0.06 0.00 0.00 1.31 0.00 0.00 55.95 57.31 2c3u s SER 454 Cb -0.11 -1.68 0.00 0.00 0.21 0.00 0.00 66.02 64.44 2c3u s SER 454 CO 0.02 0.27 0.00 -1.22 0.41 0.00 0.00 173.24 172.72 2c3u n TYR 455 N 2.84 0.00 -4.25 2.43 4.02 -1.26 -2.02 117.16 118.92 2c3u n TYR 455 Ca -0.18 0.00 -0.19 0.00 -0.01 0.00 0.00 57.90 57.52 2c3u n TYR 455 Cb 0.53 0.00 -0.11 0.00 -0.02 0.00 0.00 39.34 39.74 2c3u n TYR 455 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 176.86 176.19 2c3u s ASP 456 N 0.34 2.11 0.44 7.72 3.68 -1.23 -4.84 116.67 124.90 2c3u s ASP 456 Ca 0.00 -0.78 0.27 0.00 2.13 0.00 0.00 52.55 54.17 2c3u s ASP 456 Cb 0.00 -0.09 0.72 0.00 -1.45 0.00 0.00 42.92 42.10 2c3u s ASP 456 CO 0.00 -0.10 1.74 0.28 0.13 0.00 0.00 175.17 177.23 2c3u h SER 457 N 3.66 0.00 -3.75 -0.34 0.02 -1.95 -3.43 113.55 107.75 2c3u h SER 457 Ca -0.41 0.00 -0.51 0.00 -0.84 0.00 0.00 61.79 60.03 2c3u h SER 457 Cb 1.19 0.00 0.01 0.00 0.14 0.00 0.00 62.40 63.75 2c3u h SER 457 CO 0.48 0.00 0.47 -0.54 -1.14 0.00 0.00 176.83 176.10 2c3u s LYS 458 N -3.34 4.64 0.10 3.45 -0.14 -1.26 -4.95 119.74 118.23 2c3u s LYS 458 Ca 0.05 1.78 0.18 0.00 -1.36 0.00 0.00 55.97 56.62 2c3u s LYS 458 Cb 0.07 -3.21 -0.10 0.00 -1.68 0.00 0.00 37.83 32.91 2c3u s LYS 458 CO 0.61 0.19 0.89 0.87 -0.76 0.00 0.00 175.35 177.16 2c3u h LYS 459 N 4.11 0.00 -5.24 1.68 1.57 -1.82 -3.41 116.57 113.46 2c3u h LYS 459 Ca -0.46 0.00 -0.47 0.00 -1.87 0.00 0.00 60.65 57.85 2c3u h LYS 459 Cb 1.21 0.00 -0.29 0.00 0.08 0.00 0.00 32.23 33.24 2c3u h LYS 459 CO 0.68 0.24 -0.81 0.45 -0.57 0.00 0.00 179.45 179.44 2c3u s SER 460 N -5.72 1.60 -1.78 0.86 0.15 -1.26 -4.73 113.70 102.82 2c3u s SER 460 Ca -0.02 -0.27 0.00 0.00 0.70 0.00 0.00 55.95 56.36 2c3u s SER 460 Cb 0.09 -0.17 0.00 0.00 -1.71 0.00 0.00 66.02 64.23 2c3u s SER 460 CO 0.80 0.15 0.00 0.61 1.20 0.00 0.00 173.24 176.00 2c3u n GLY 461 N 2.64 -0.16 3.88 9.45 0.00 -1.26 -4.95 105.19 114.79 2c3u n GLY 461 Ca -0.15 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.58 2c3u n GLY 461 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2c3u s GLY 462 N -2.14 1.63 0.04 -0.02 0.00 -1.26 -4.73 107.32 100.83 2c3u s GLY 462 Ca 0.00 -0.30 -0.12 0.00 0.00 0.00 0.00 44.72 44.30 2c3u s GLY 462 CO 0.00 0.00 0.40 -0.26 0.00 0.00 0.00 173.10 173.24 2c3u s ILE 463 N -3.19 5.07 -0.04 0.90 -4.36 -1.26 0.07 121.20 118.39 2c3u s ILE 463 Ca 0.55 0.64 0.06 0.00 -0.26 0.00 0.00 60.65 61.64 2c3u s ILE 463 Cb -0.11 -3.67 -0.01 0.00 1.25 0.00 0.00 42.46 39.92 2c3u s ILE 463 CO 0.51 0.43 -0.21 -0.89 0.24 0.00 0.00 174.94 175.02 2c3u s THR 464 N -1.24 1.74 -0.15 8.37 2.01 -0.16 -3.51 115.64 122.71 2c3u s THR 464 Ca 0.28 -0.91 -0.01 0.00 0.31 0.00 0.00 61.69 61.36 2c3u s THR 464 Cb -0.15 -1.47 0.04 0.00 0.01 0.00 0.00 72.50 70.94 2c3u s THR 464 CO 0.15 0.49 -0.01 -0.51 -0.69 0.00 0.00 174.62 174.05 2c3u s ILE 465 N -0.25 0.74 0.06 1.82 1.10 -0.86 0.45 121.20 124.27 2c3u s ILE 465 Ca 0.01 -0.42 -0.17 0.00 -0.51 0.00 0.00 60.65 59.56 2c3u s ILE 465 Cb -0.11 -1.02 -0.06 0.00 0.15 0.00 0.00 42.46 41.42 2c3u s ILE 465 CO 0.01 0.05 0.52 -0.44 -2.11 0.00 0.00 174.94 172.97 2c3u s SER 466 N 1.79 6.96 -0.27 4.50 0.01 0.20 -2.37 113.70 124.52 2c3u s SER 466 Ca 0.01 1.15 0.02 0.00 1.31 0.00 0.00 55.95 58.44 2c3u s SER 466 Cb -0.15 -2.32 0.07 0.00 0.21 0.00 0.00 66.02 63.83 2c3u s SER 466 CO -0.07 0.27 -0.05 -1.00 0.41 0.00 0.00 173.24 172.80 2c3u s HIS 467 N -1.14 2.96 0.02 2.43 3.76 -0.47 -1.45 115.29 121.39 2c3u s HIS 467 Ca 0.28 -2.21 0.07 0.00 -0.15 0.00 0.00 55.06 53.05 2c3u s HIS 467 Cb -0.18 -1.97 -0.03 0.00 1.11 0.00 0.00 32.58 31.51 2c3u s HIS 467 CO 0.17 -0.85 -0.21 -0.51 -0.85 0.00 0.00 174.74 172.49 2c3u s LEU 468 N 1.20 2.41 -0.00 0.89 1.43 0.19 -1.35 118.68 123.45 2c3u s LEU 468 Ca -0.03 -0.46 0.02 0.00 -1.03 0.00 0.00 54.13 52.63 2c3u s LEU 468 Cb -0.19 -1.43 -0.01 0.00 0.03 0.00 0.00 46.19 44.59 2c3u s LEU 468 CO -0.07 0.28 -0.06 -0.13 0.23 0.00 0.00 176.35 176.60 2c3u s ARG 469 N -1.19 0.48 -0.01 1.70 0.52 0.35 0.12 118.95 120.91 2c3u s ARG 469 Ca 0.13 -0.25 0.01 0.00 -0.52 0.00 0.00 55.73 55.10 2c3u s ARG 469 Cb -0.10 -0.45 0.00 0.00 0.52 0.00 0.00 34.95 34.92 2c3u s ARG 469 CO 0.03 0.12 -0.04 -0.06 0.02 0.00 0.00 175.30 175.36 2c3u s PHE 470 N -0.23 0.46 0.20 -0.53 0.40 -0.49 -0.62 117.98 117.17 2c3u s PHE 470 Ca 0.01 -0.09 -0.23 0.00 -0.60 0.00 0.00 56.93 56.03 2c3u s PHE 470 Cb -0.03 -0.34 0.05 0.00 0.51 0.00 0.00 43.02 43.21 2c3u s PHE 470 CO -0.00 -0.04 0.75 0.20 0.70 0.00 0.00 175.22 176.83 2c3u s GLY 471 N 0.09 -0.28 0.35 4.36 0.00 -0.88 0.07 107.32 111.04 2c3u s GLY 471 Ca -0.01 0.08 0.19 0.00 0.00 0.00 0.00 44.72 44.98 2c3u s GLY 471 CO -0.00 0.02 1.49 0.83 0.00 0.00 0.00 173.10 175.44 2c3u h GLU 472 N 2.00 0.00 -6.30 2.90 5.08 -1.84 0.46 114.58 116.87 2c3u h GLU 472 Ca -0.24 0.00 -0.61 0.00 -1.00 0.00 0.00 59.36 57.51 2c3u h GLU 472 Cb 1.26 0.00 -0.10 0.00 0.50 0.00 0.00 28.75 30.41 2c3u h GLU 472 CO 0.28 0.24 -0.63 0.15 -1.00 0.00 0.00 179.01 178.04 2c3u s LYS 473 N -3.09 2.57 0.27 2.33 -0.14 -1.26 -4.80 119.74 115.61 2c3u s LYS 473 Ca 0.05 -0.98 -0.28 0.00 -1.36 0.00 0.00 55.97 53.40 2c3u s LYS 473 Cb 0.06 -2.48 -0.15 0.00 -1.68 0.00 0.00 37.83 33.59 2c3u s LYS 473 CO 0.71 0.48 0.96 -2.30 -0.76 0.00 0.00 175.35 174.45 2c3u n PRO 474 N -0.01 1.17 -3.17 -1.68 -0.02 -1.26 -4.75 135.00 125.28 2c3u n PRO 474 Ca -0.10 0.41 -0.43 0.00 -2.02 0.00 0.00 63.50 61.37 2c3u n PRO 474 Cb 0.54 -1.75 -0.07 0.00 -0.02 0.00 0.00 33.50 32.20 2c3u n PRO 474 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 2c3u s ILE 475 N -0.97 4.90 -1.22 4.25 -1.09 -1.26 -4.90 121.20 120.91 2c3u s ILE 475 Ca 0.61 -0.02 0.16 0.00 -2.23 0.00 0.00 60.65 59.16 2c3u s ILE 475 Cb -0.74 -4.16 0.49 0.00 -1.58 0.00 0.00 42.46 36.47 2c3u s ILE 475 CO 0.59 -0.55 1.41 0.00 -1.23 0.00 0.00 174.94 175.16 2c3u n GLN 476 N 6.08 2.96 -2.42 2.79 6.02 -1.26 -4.89 117.38 126.66 2c3u n GLN 476 Ca -0.03 -2.43 -0.40 0.00 -0.01 0.00 0.00 57.00 54.13 2c3u n GLN 476 Cb 0.48 -1.50 -0.01 0.00 1.02 0.00 0.00 30.24 30.23 2c3u n GLN 476 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 177.06 176.48 2c3u n SER 477 N 0.88 4.47 -3.50 1.08 7.64 -1.26 -2.82 113.62 120.10 2c3u n SER 477 Ca 0.18 -2.87 -0.40 0.00 1.01 0.00 0.00 58.87 56.80 2c3u n SER 477 Cb 0.59 -1.74 -0.01 0.00 -1.01 0.00 0.00 64.21 62.04 2c3u n SER 477 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 2c3u n THR 478 N 6.65 4.78 -3.44 0.44 -2.24 -1.26 -4.77 114.28 114.43 2c3u n THR 478 Ca 0.48 -3.80 -0.11 0.00 -2.27 0.00 0.00 64.05 58.36 2c3u n THR 478 Cb 0.46 -2.29 -0.02 0.00 -2.10 0.00 0.00 70.33 66.38 2c3u n THR 478 CO 0.00 0.00 0.00 -0.72 -0.57 0.00 0.00 175.07 173.78 2c3u s TYR 479 N 0.19 -0.49 0.89 4.78 -0.85 -1.26 -4.76 117.35 115.85 2c3u s TYR 479 Ca 0.56 0.31 -0.11 0.00 -0.52 0.00 0.00 57.07 57.31 2c3u s TYR 479 Cb 0.17 0.55 0.13 0.00 0.38 0.00 0.00 41.96 43.19 2c3u s TYR 479 CO -0.07 -0.76 1.10 -0.51 -1.52 0.00 0.00 175.55 173.79 2c3u s LEU 480 N -2.65 2.53 0.08 -3.49 1.43 -1.26 -4.97 118.68 110.35 2c3u s LEU 480 Ca 0.02 1.81 -0.30 0.00 -1.03 0.00 0.00 54.13 54.62 2c3u s LEU 480 Cb -0.01 -4.25 -0.06 0.00 0.03 0.00 0.00 46.19 41.91 2c3u s LEU 480 CO -0.12 -2.75 1.11 -0.69 0.23 0.00 0.00 176.35 174.13 2c3u s VAL 481 N -2.79 4.20 -0.01 -1.59 1.01 -1.26 -4.91 120.40 115.05 2c3u s VAL 481 Ca 0.64 1.68 0.00 0.00 0.00 0.00 0.00 61.98 64.30 2c3u s VAL 481 Cb -0.20 -4.07 -0.00 0.00 0.00 0.00 0.00 36.38 32.10 2c3u s VAL 481 CO 0.58 0.19 0.01 -0.46 0.00 0.00 0.00 175.10 175.41 2c3u n ASN 482 N 3.39 2.08 -3.58 3.32 0.23 -1.26 -4.86 115.26 114.58 2c3u n ASN 482 Ca 0.06 -0.29 -0.28 0.00 -0.53 0.00 0.00 54.58 53.53 2c3u n ASN 482 Cb 0.47 1.00 -0.12 0.00 -2.08 0.00 0.00 39.78 39.06 2c3u n ASN 482 CO 0.00 0.00 0.00 -0.13 -0.93 0.00 0.00 177.26 176.20 2c3u s ARG 483 N -1.44 1.21 0.47 -3.83 0.52 -1.26 -4.28 118.95 110.34 2c3u s ARG 483 Ca 0.00 -2.13 -0.18 0.00 -0.52 0.00 0.00 55.73 52.90 2c3u s ARG 483 Cb 0.00 -2.00 -0.09 0.00 0.52 0.00 0.00 34.95 33.38 2c3u s ARG 483 CO 0.01 -1.27 0.96 0.00 0.02 0.00 0.00 175.30 175.02 2c3u s ALA 484 N 0.09 3.07 -0.15 2.13 0.00 -1.25 -4.74 121.76 120.91 2c3u s ALA 484 Ca 0.24 0.25 0.17 0.00 0.00 0.00 0.00 51.96 52.62 2c3u s ALA 484 Cb -0.11 -3.11 -0.25 0.00 0.00 0.00 0.00 23.12 19.66 2c3u s ALA 484 CO -0.09 -0.08 0.27 -0.25 0.00 0.00 0.00 175.76 175.61 2c3u n ASP 485 N -1.19 0.21 -3.79 0.00 10.43 0.42 -1.18 116.55 121.45 2c3u n ASP 485 Ca 0.06 0.10 -0.20 0.00 2.57 0.00 0.00 54.79 57.32 2c3u n ASP 485 Cb 0.54 0.87 -0.17 0.00 1.84 0.00 0.00 41.12 44.20 2c3u n ASP 485 CO 0.00 0.00 0.00 -0.47 -1.07 0.00 0.00 177.20 175.66 2c3u s TYR 486 N -2.65 0.45 -0.05 1.24 5.04 -1.06 -1.16 117.35 119.15 2c3u s TYR 486 Ca -0.08 -0.04 0.04 0.00 -2.44 0.00 0.00 57.07 54.54 2c3u s TYR 486 Cb 0.07 -0.59 -0.00 0.00 0.35 0.00 0.00 41.96 41.79 2c3u s TYR 486 CO 0.84 -0.22 -0.18 0.08 -1.34 0.00 0.00 175.55 174.73 2c3u s VAL 487 N 1.52 1.51 -0.04 3.14 1.01 -0.40 -1.24 120.40 125.90 2c3u s VAL 487 Ca -0.02 -0.74 0.03 0.00 0.00 0.00 0.00 61.98 61.24 2c3u s VAL 487 Cb -0.13 -1.31 0.00 0.00 0.00 0.00 0.00 36.38 34.95 2c3u s VAL 487 CO -0.03 0.43 -0.13 0.00 0.00 0.00 0.00 175.10 175.38 2c3u s ALA 488 N 0.16 1.19 -0.34 5.51 0.00 -0.35 -0.79 121.76 127.14 2c3u s ALA 488 Ca -0.07 -0.48 0.01 0.00 0.00 0.00 0.00 51.96 51.42 2c3u s ALA 488 Cb -0.13 -0.44 0.09 0.00 0.00 0.00 0.00 23.12 22.63 2c3u s ALA 488 CO 0.03 0.18 0.06 0.00 0.00 0.00 0.00 175.76 176.04 2c3u n HIS 490 N 4.42 0.00 -3.74 0.00 8.25 0.15 -1.85 115.22 122.45 2c3u n HIS 490 Ca -0.03 0.00 -0.28 0.00 -0.26 0.00 0.00 57.72 57.15 2c3u n HIS 490 Cb 0.42 -0.06 -0.16 0.00 1.12 0.00 0.00 29.99 31.31 2c3u n HIS 490 CO 0.00 0.00 0.00 1.21 0.64 0.00 0.00 176.34 178.19 2c3u s ASN 491 N -2.12 3.11 0.36 0.41 3.04 -1.26 -4.80 114.94 113.69 2c3u s ASN 491 Ca 0.43 -0.95 0.14 0.00 0.04 0.00 0.00 52.86 52.52 2c3u s ASN 491 Cb 0.22 -0.65 1.00 0.00 -1.54 0.00 0.00 41.25 40.28 2c3u s ASN 491 CO 0.39 -0.32 1.75 1.55 -3.04 0.00 0.00 177.10 177.42 2c3u h PRO 492 N 8.22 0.47 -0.95 0.43 0.13 -1.79 -1.48 132.00 137.02 2c3u h PRO 492 Ca -0.16 -0.03 0.15 0.00 -0.87 0.00 0.00 66.00 65.09 2c3u h PRO 492 Cb 1.10 -0.11 -0.08 0.00 0.13 0.00 0.00 31.00 32.05 2c3u h PRO 492 CO 0.36 0.31 0.60 0.00 -0.23 0.00 0.00 178.00 179.04 2c3u h ALA 493 N 1.67 1.72 -0.24 -0.56 0.00 -1.95 -0.98 119.26 118.92 2c3u h ALA 493 Ca 0.63 0.03 0.02 0.00 0.00 0.00 0.00 54.91 55.58 2c3u h ALA 493 Cb 1.39 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 19.03 2c3u h ALA 493 CO -0.39 0.01 0.16 1.88 0.00 0.00 0.00 179.25 180.92 2c3u h TYR 494 N 0.79 0.22 -0.97 0.00 0.99 -1.69 -3.19 116.97 113.13 2c3u h TYR 494 Ca 0.49 0.01 0.32 0.00 2.00 0.00 0.00 58.73 61.54 2c3u h TYR 494 Cb 0.69 -0.08 -0.18 0.00 1.00 0.00 0.00 36.73 38.17 2c3u h TYR 494 CO -0.00 0.13 0.20 1.55 -0.00 0.00 0.00 178.16 180.04 2c3u n VAL 495 N -4.50 -0.41 -1.53 -2.88 3.14 -0.37 -1.14 118.33 110.63 2c3u n VAL 495 Ca 0.01 2.07 -0.19 0.00 -2.96 0.00 0.00 64.34 63.26 2c3u n VAL 495 Cb 0.14 -3.13 0.12 0.00 -1.06 0.00 0.00 33.84 29.91 2c3u n VAL 495 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 2c3u n GLY 496 N -1.40 5.46 0.00 7.55 0.00 -1.20 -4.54 105.19 111.05 2c3u n GLY 496 Ca 0.28 -1.83 0.00 0.00 0.00 0.00 0.00 46.02 44.47 2c3u n GLY 496 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 2c3u n ILE 497 N -0.98 0.00 -4.30 -0.61 -5.35 -0.29 -5.11 119.36 102.71 2c3u n ILE 497 Ca 0.47 0.00 -0.22 0.00 -0.27 0.00 0.00 62.75 62.73 2c3u n ILE 497 Cb 1.01 0.14 -0.13 0.00 -1.74 0.00 0.00 39.64 38.92 2c3u n ILE 497 CO 0.00 0.00 0.00 -0.31 -1.76 0.00 0.00 176.55 174.48 2c3u s TYR 498 N 0.00 1.54 -1.29 4.28 4.12 -0.89 -4.93 117.35 120.18 2c3u s TYR 498 Ca 0.00 -0.42 -0.17 0.00 0.02 0.00 0.00 57.07 56.51 2c3u s TYR 498 Cb 0.00 -0.87 0.00 0.00 -1.52 0.00 0.00 41.96 39.57 2c3u s TYR 498 CO 0.00 0.12 2.07 -3.47 0.02 0.00 0.00 175.55 174.29 2c3u n ASP 499 N 1.36 3.77 -0.23 2.29 -0.08 -1.26 -4.79 116.55 117.60 2c3u n ASP 499 Ca -0.20 -2.82 0.03 0.00 -1.51 0.00 0.00 54.79 50.30 2c3u n ASP 499 Cb 0.54 -1.58 0.15 0.00 2.34 0.00 0.00 41.12 42.57 2c3u n ASP 499 CO 0.00 0.00 0.00 0.40 0.12 0.00 0.00 177.20 177.72 2c3u h ILE 500 N 4.49 0.71 -0.08 5.18 1.08 -1.89 -2.81 117.51 124.19 2c3u h ILE 500 Ca 0.50 -0.15 0.00 0.00 -0.39 0.00 0.00 64.86 64.82 2c3u h ILE 500 Cb 0.70 0.24 0.00 0.00 -3.07 0.00 0.00 36.82 34.69 2c3u h ILE 500 CO 1.79 0.08 0.00 0.18 -0.69 0.00 0.00 178.15 179.51 2c3u n LEU 501 N -4.99 1.41 -4.65 1.44 4.32 -1.26 -4.94 117.00 108.32 2c3u n LEU 501 Ca 0.12 -0.53 -0.62 0.00 -0.02 0.00 0.00 56.01 54.95 2c3u n LEU 501 Cb 0.34 -0.05 -0.09 0.00 -1.62 0.00 0.00 43.42 42.01 2c3u n LEU 501 CO 0.20 0.27 0.96 1.21 -1.22 0.00 0.00 177.39 178.80 2c3u n GLU 502 N 0.12 0.23 -0.52 3.23 2.13 -1.06 -0.75 120.64 124.01 2c3u n GLU 502 Ca 0.18 0.08 0.00 0.00 0.66 0.00 0.00 57.16 58.08 2c3u n GLU 502 Cb 0.31 -1.61 0.00 0.00 0.27 0.00 0.00 31.44 30.41 2c3u n GLU 502 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2c3u n GLY 503 N 3.06 0.88 3.65 8.31 0.00 -1.26 -4.81 105.19 115.02 2c3u n GLY 503 Ca 0.26 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.82 2c3u n GLY 503 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 2c3u n ILE 504 N -2.00 0.89 -2.02 -0.61 0.13 0.07 -3.79 119.36 112.03 2c3u n ILE 504 Ca 0.00 -0.22 -0.34 0.00 -1.10 0.00 0.00 62.75 61.09 2c3u n ILE 504 Cb 0.00 -1.32 0.02 0.00 -0.84 0.00 0.00 39.64 37.50 2c3u n ILE 504 CO 0.00 0.00 0.00 -0.54 2.80 0.00 0.00 176.55 178.81 2c3u s LYS 505 N -0.35 3.15 0.34 9.51 1.02 -0.33 -4.88 119.74 128.20 2c3u s LYS 505 Ca 0.70 1.40 -0.29 0.00 0.02 0.00 0.00 55.97 57.80 2c3u s LYS 505 Cb -0.70 -2.00 -0.11 0.00 -0.52 0.00 0.00 37.83 34.51 2c3u s LYS 505 CO 0.50 -0.97 1.41 -0.51 -0.92 0.00 0.00 175.35 174.86 2c3u s ASP 506 N -2.37 6.56 0.00 2.83 -0.00 -1.26 -0.78 116.67 121.65 2c3u s ASP 506 Ca 0.68 2.85 0.00 0.00 -0.00 0.00 0.00 52.55 56.08 2c3u s ASP 506 Cb -0.20 -2.65 0.00 0.00 -0.00 0.00 0.00 42.92 40.07 2c3u s ASP 506 CO 0.35 -0.72 0.00 0.61 -0.00 0.00 0.00 175.17 175.41 2c3u n GLY 507 N 0.90 0.87 3.58 0.21 0.00 -0.31 -4.98 105.19 105.46 2c3u n GLY 507 Ca 0.02 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.75 2c3u n GLY 507 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2c3u s GLY 508 N -2.00 1.56 -0.07 -0.02 0.00 0.04 -4.46 107.32 102.37 2c3u s GLY 508 Ca 0.00 -0.19 0.04 0.00 0.00 0.00 0.00 44.72 44.57 2c3u s GLY 508 CO 0.00 0.47 -0.18 -0.51 0.00 0.00 0.00 173.10 172.88 2c3u s THR 509 N -2.69 2.69 -0.19 0.90 -4.23 -0.31 -1.22 115.64 110.58 2c3u s THR 509 Ca 0.67 -0.84 0.00 0.00 -1.18 0.00 0.00 61.69 60.34 2c3u s THR 509 Cb -0.22 -2.04 0.04 0.00 1.34 0.00 0.00 72.50 71.62 2c3u s THR 509 CO 0.61 0.57 -0.08 0.12 -0.54 0.00 0.00 174.62 175.30 2c3u s PHE 510 N -0.35 2.22 -0.11 3.99 5.36 -0.81 -1.28 117.98 127.01 2c3u s PHE 510 Ca 0.03 -1.47 -0.05 0.00 -0.96 0.00 0.00 56.93 54.47 2c3u s PHE 510 Cb -0.12 -1.54 -0.04 0.00 -0.34 0.00 0.00 43.02 40.97 2c3u s PHE 510 CO 0.02 -0.71 0.08 0.54 -1.46 0.00 0.00 175.22 173.69 2c3u s VAL 511 N 1.46 4.99 0.00 3.12 0.11 0.03 -1.99 120.40 128.12 2c3u s VAL 511 Ca -0.01 0.02 0.05 0.00 -2.93 0.00 0.00 61.98 59.10 2c3u s VAL 511 Cb -0.16 -3.16 -0.01 0.00 -1.53 0.00 0.00 36.38 31.52 2c3u s VAL 511 CO -0.08 0.60 -0.16 -0.22 -3.33 0.00 0.00 175.10 171.92 2c3u s LEU 512 N -0.84 2.07 -0.28 2.54 2.96 0.06 -1.33 118.68 123.85 2c3u s LEU 512 Ca 0.13 -0.33 -0.11 0.00 -0.22 0.00 0.00 54.13 53.60 2c3u s LEU 512 Cb -0.12 -0.77 -0.05 0.00 0.50 0.00 0.00 46.19 45.75 2c3u s LEU 512 CO 0.03 0.16 0.20 0.21 -1.32 0.00 0.00 176.35 175.63 2c3u s ASN 513 N -0.57 6.04 -0.04 3.68 3.04 -0.77 -1.95 114.94 124.38 2c3u s ASN 513 Ca 0.05 0.02 -0.31 0.00 0.04 0.00 0.00 52.86 52.66 2c3u s ASN 513 Cb -0.06 -2.12 0.12 0.00 -1.54 0.00 0.00 41.25 37.64 2c3u s ASN 513 CO -0.00 -0.05 1.23 -0.94 -3.04 0.00 0.00 177.10 174.31 2c3u s SER 514 N 1.68 -0.09 0.00 -4.21 1.04 -1.02 -3.06 113.70 108.04 2c3u s SER 514 Ca 0.08 -0.12 0.21 0.00 0.48 0.00 0.00 55.95 56.59 2c3u s SER 514 Cb -0.16 0.19 0.55 0.00 0.10 0.00 0.00 66.02 66.70 2c3u s SER 514 CO 0.10 -0.34 1.46 -0.81 0.98 0.00 0.00 173.24 174.64 2c3u n PRO 515 N -0.39 2.45 -1.21 4.02 -0.04 -1.26 -3.00 135.00 135.57 2c3u n PRO 515 Ca -0.06 -2.23 -0.24 0.00 -0.04 0.00 0.00 63.50 60.93 2c3u n PRO 515 Cb 0.62 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 32.47 2c3u n PRO 515 CO 0.00 0.00 0.00 0.91 -0.04 0.00 0.00 175.50 176.37 2c3u n TRP 516 N 1.34 1.09 -0.06 0.54 8.01 -1.26 -4.62 117.44 122.48 2c3u n TRP 516 Ca 0.21 -2.13 0.00 0.00 -1.31 0.00 0.00 57.50 54.27 2c3u n TRP 516 Cb 0.54 -1.87 0.30 0.00 -2.01 0.00 0.00 31.31 28.27 2c3u n TRP 516 CO 0.00 0.00 0.00 0.77 -1.01 0.00 0.00 177.69 177.45 2c3u h SER 517 N 3.72 0.60 -3.60 -0.99 0.02 -1.97 -3.33 113.55 108.01 2c3u h SER 517 Ca 0.46 -0.07 -0.51 0.00 -0.84 0.00 0.00 61.79 60.82 2c3u h SER 517 Cb 0.97 -0.15 -0.03 0.00 0.14 0.00 0.00 62.40 63.33 2c3u h SER 517 CO 0.86 0.56 0.19 -0.94 -1.14 0.00 0.00 176.83 176.37 2c3u s SER 518 N -6.64 7.30 0.56 3.07 1.04 -1.26 -4.92 113.70 112.84 2c3u s SER 518 Ca -0.09 1.62 0.27 0.00 0.48 0.00 0.00 55.95 58.24 2c3u s SER 518 Cb 0.16 -2.49 1.47 0.00 0.10 0.00 0.00 66.02 65.26 2c3u s SER 518 CO 0.77 0.12 1.98 0.25 0.98 0.00 0.00 173.24 177.33 2c3u h LEU 519 N 3.89 0.00 -0.02 2.42 5.85 -1.96 0.17 115.31 125.65 2c3u h LEU 519 Ca -0.47 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.24 2c3u h LEU 519 Cb 1.20 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 42.23 2c3u h LEU 519 CO 0.66 0.00 -0.03 1.05 -0.34 0.00 0.00 178.44 179.78 2c3u h GLU 520 N 0.00 0.05 0.09 1.25 4.11 -1.94 -1.76 114.58 116.38 2c3u h GLU 520 Ca 0.23 -0.03 -0.00 0.00 0.07 0.00 0.00 59.36 59.62 2c3u h GLU 520 Cb 1.02 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.28 2c3u h GLU 520 CO -0.00 0.58 -0.04 -0.44 0.07 0.00 0.00 179.01 179.17 2c3u h ASP 521 N -0.47 -0.10 -0.66 3.06 3.32 -1.52 -1.75 116.42 118.30 2c3u h ASP 521 Ca 0.00 -0.17 0.13 0.00 0.02 0.00 0.00 57.03 57.01 2c3u h ASP 521 Cb 0.57 0.03 -0.10 0.00 0.22 0.00 0.00 39.33 40.05 2c3u h ASP 521 CO 0.01 0.12 0.12 -0.03 -1.72 0.00 0.00 179.24 177.73 2c3u h MET 522 N -0.31 0.23 0.00 3.56 4.05 -0.80 0.36 114.93 122.01 2c3u h MET 522 Ca -0.01 -0.01 -0.06 0.00 -0.28 0.00 0.00 59.70 59.34 2c3u h MET 522 Cb 0.27 -0.05 -0.01 0.00 -0.80 0.00 0.00 31.60 31.01 2c3u h MET 522 CO 0.02 0.15 -0.26 -0.44 0.23 0.00 0.00 176.91 176.60 2c3u h ASP 523 N 0.23 0.00 0.02 1.39 3.45 -1.18 -0.83 116.42 119.49 2c3u h ASP 523 Ca 0.36 0.00 -0.00 0.00 0.43 0.00 0.00 57.03 57.81 2c3u h ASP 523 Cb 0.57 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.34 2c3u h ASP 523 CO -0.47 0.26 -0.01 0.50 -1.57 0.00 0.00 179.24 177.95 2c3u h LYS 524 N 0.00 -0.02 0.13 3.56 3.64 0.53 -3.39 116.57 121.02 2c3u h LYS 524 Ca -0.00 0.00 -0.32 0.00 -1.27 0.00 0.00 60.65 59.06 2c3u h LYS 524 Cb 0.60 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.42 2c3u h LYS 524 CO 0.03 0.73 -1.62 0.45 -2.27 0.00 0.00 179.45 176.78 2c3u h HIS 525 N -0.83 0.50 -2.78 1.91 3.86 -1.00 -3.45 115.15 113.36 2c3u h HIS 525 Ca -0.00 -0.37 -0.54 0.00 -1.16 0.00 0.00 60.37 58.30 2c3u h HIS 525 Cb 0.76 -0.02 -0.00 0.00 1.06 0.00 0.00 27.41 29.21 2c3u h HIS 525 CO 0.19 1.46 0.94 -1.17 0.86 0.00 0.00 177.93 180.21 2c3u s LEU 526 N -7.03 4.32 1.16 2.43 2.96 -0.32 -4.89 118.68 117.32 2c3u s LEU 526 Ca -0.11 2.20 -0.13 0.00 -0.22 0.00 0.00 54.13 55.87 2c3u s LEU 526 Cb 0.06 -3.55 0.28 0.00 0.50 0.00 0.00 46.19 43.48 2c3u s LEU 526 CO 0.85 -0.81 1.00 -2.65 -1.32 0.00 0.00 176.35 173.41 2c3u n PRO 527 N 5.95 -2.36 -0.01 0.98 -0.02 -1.26 -4.81 135.00 133.48 2c3u n PRO 527 Ca 0.15 -0.66 -0.17 0.00 -2.02 0.00 0.00 63.50 60.80 2c3u n PRO 527 Cb 0.43 -2.17 -0.10 0.00 -0.02 0.00 0.00 33.50 31.64 2c3u n PRO 527 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 2c3u h SER 528 N -2.64 0.56 -0.99 2.55 4.64 -1.93 -3.13 113.55 112.60 2c3u h SER 528 Ca -0.61 -0.72 0.14 0.00 -0.47 0.00 0.00 61.79 60.14 2c3u h SER 528 Cb 1.33 -0.17 -0.09 0.00 -0.31 0.00 0.00 62.40 63.16 2c3u h SER 528 CO 0.48 1.20 0.62 1.23 -0.87 0.00 0.00 176.83 179.50 2c3u h GLY 529 N -0.03 1.64 1.02 -0.77 0.00 -1.93 0.75 103.07 103.75 2c3u h GLY 529 Ca -0.06 -0.39 -0.10 0.00 0.00 0.00 0.00 47.33 46.78 2c3u h GLY 529 CO 0.11 0.09 -0.10 -2.22 0.00 0.00 0.00 176.54 174.43 2c3u h ILE 530 N 0.90 1.27 -0.09 2.60 1.08 -1.95 -0.43 117.51 120.90 2c3u h ILE 530 Ca 0.52 -1.21 -0.00 0.00 -0.39 0.00 0.00 64.86 63.78 2c3u h ILE 530 Cb 0.64 1.13 -0.00 0.00 -3.07 0.00 0.00 36.82 35.51 2c3u h ILE 530 CO -0.29 0.41 0.05 0.11 -0.69 0.00 0.00 178.15 177.74 2c3u h LYS 531 N 0.69 0.12 -0.90 2.37 1.57 -1.16 0.59 116.57 119.84 2c3u h LYS 531 Ca 0.11 -0.01 0.10 0.00 -1.87 0.00 0.00 60.65 58.98 2c3u h LYS 531 Cb 0.64 -0.02 -0.08 0.00 0.08 0.00 0.00 32.23 32.84 2c3u h LYS 531 CO 0.04 0.11 0.55 -0.09 -0.57 0.00 0.00 179.45 179.49 2c3u h ARG 532 N 0.09 0.88 -0.12 3.15 2.43 -0.77 0.12 114.38 120.17 2c3u h ARG 532 Ca 0.03 -0.05 -0.12 0.00 -0.81 0.00 0.00 59.98 59.03 2c3u h ARG 532 Cb 0.02 -0.20 0.00 0.00 -0.42 0.00 0.00 29.97 29.38 2c3u h ARG 532 CO -0.01 0.58 -0.40 1.15 -1.51 0.00 0.00 179.97 179.79 2c3u h THR 533 N 0.91 1.37 -0.69 0.20 2.02 -0.42 -0.93 112.91 115.38 2c3u h THR 533 Ca 0.43 -1.72 0.07 0.00 0.77 0.00 0.00 66.41 65.96 2c3u h THR 533 Cb 0.37 2.14 -0.06 0.00 -1.74 0.00 0.00 68.15 68.86 2c3u h THR 533 CO -0.24 0.51 0.38 0.40 0.37 0.00 0.00 175.52 176.94 2c3u h ILE 534 N 0.07 0.95 0.48 3.11 1.08 0.80 -2.40 117.51 121.59 2c3u h ILE 534 Ca -0.02 -0.24 -0.02 0.00 -0.39 0.00 0.00 64.86 64.19 2c3u h ILE 534 Cb 1.03 0.20 0.00 0.00 -3.07 0.00 0.00 36.82 34.98 2c3u h ILE 534 CO 0.08 0.13 -0.23 0.00 -0.69 0.00 0.00 178.15 177.44 2c3u h ALA 535 N 1.37 -0.73 -0.07 1.87 0.00 -0.75 -2.28 119.26 118.67 2c3u h ALA 535 Ca 0.32 -0.14 0.02 0.00 0.00 0.00 0.00 54.91 55.11 2c3u h ALA 535 Cb 0.23 0.25 -0.00 0.00 0.00 0.00 0.00 17.79 18.26 2c3u h ALA 535 CO -0.20 -0.68 0.10 -0.91 0.00 0.00 0.00 179.25 177.55 2c3u h ASN 536 N -1.02 0.00 -0.18 0.00 -0.26 -1.19 -1.33 115.58 111.61 2c3u h ASN 536 Ca -0.07 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.67 2c3u h ASN 536 Cb 0.49 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.75 2c3u h ASN 536 CO 0.11 0.00 0.00 0.29 -1.06 0.00 0.00 177.43 176.77 2c3u n LYS 537 N -3.67 2.40 -3.97 0.81 5.02 -0.91 -4.96 118.16 112.89 2c3u n LYS 537 Ca -0.01 -2.08 -0.29 0.00 -2.02 0.00 0.00 58.31 53.92 2c3u n LYS 537 Cb 0.19 -1.48 -0.00 0.00 -0.02 0.00 0.00 35.03 33.71 2c3u n LYS 537 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 2c3u n LYS 538 N 1.41 -4.13 -1.70 1.97 4.01 -0.50 -1.16 118.16 118.07 2c3u n LYS 538 Ca 0.16 0.48 -0.32 0.00 -0.51 0.00 0.00 58.31 58.12 2c3u n LYS 538 Cb 0.60 -5.03 0.05 0.00 -0.51 0.00 0.00 35.03 30.14 2c3u n LYS 538 CO 0.00 0.00 0.00 -0.51 -1.11 0.00 0.00 177.40 175.78 2c3u s LEU 539 N -7.08 3.30 -0.79 -0.35 1.43 -0.88 -3.77 118.68 110.54 2c3u s LEU 539 Ca 0.36 1.84 -0.16 0.00 -1.03 0.00 0.00 54.13 55.15 2c3u s LEU 539 Cb -0.19 -4.53 0.18 0.00 0.03 0.00 0.00 46.19 41.68 2c3u s LEU 539 CO 0.87 -1.56 0.80 -0.54 0.23 0.00 0.00 176.35 176.16 2c3u s LYS 540 N -4.44 3.46 0.13 1.70 1.02 -0.36 -4.96 119.74 116.30 2c3u s LYS 540 Ca 0.63 -2.10 -0.27 0.00 0.02 0.00 0.00 55.97 54.26 2c3u s LYS 540 Cb -0.17 -4.49 -0.07 0.00 -0.52 0.00 0.00 37.83 32.58 2c3u s LYS 540 CO 0.46 -1.42 0.84 0.12 -0.92 0.00 0.00 175.35 174.42 2c3u s PHE 541 N 1.14 3.85 -0.05 3.18 5.36 -1.26 -1.92 117.98 128.29 2c3u s PHE 541 Ca 0.18 1.67 -0.01 0.00 -0.96 0.00 0.00 56.93 57.82 2c3u s PHE 541 Cb -0.13 -2.88 0.03 0.00 -0.34 0.00 0.00 43.02 39.70 2c3u s PHE 541 CO -0.06 0.38 0.01 0.71 -1.46 0.00 0.00 175.22 174.80 2c3u s TYR 542 N -0.61 0.39 0.08 10.12 1.51 -0.84 -0.20 117.35 127.79 2c3u s TYR 542 Ca 0.40 -0.00 0.04 0.00 -1.01 0.00 0.00 57.07 56.49 2c3u s TYR 542 Cb -0.23 -0.56 -0.04 0.00 -0.11 0.00 0.00 41.96 41.03 2c3u s TYR 542 CO 0.27 -0.21 0.03 1.21 -1.11 0.00 0.00 175.55 175.75 2c3u s ASN 543 N 1.56 5.25 -0.20 2.29 2.47 -1.26 -0.76 114.94 124.28 2c3u s ASN 543 Ca -0.02 -0.09 -0.07 0.00 0.42 0.00 0.00 52.86 53.10 2c3u s ASN 543 Cb -0.13 -1.33 0.09 0.00 -1.45 0.00 0.00 41.25 38.43 2c3u s ASN 543 CO -0.03 0.19 0.43 -0.51 -3.72 0.00 0.00 177.10 173.46 2c3u s ILE 544 N -1.32 -0.55 -1.33 -5.21 1.10 -0.82 -4.73 121.20 108.34 2c3u s ILE 544 Ca 0.26 0.15 -0.15 0.00 -0.51 0.00 0.00 60.65 60.40 2c3u s ILE 544 Cb -0.12 -0.67 0.09 0.00 0.15 0.00 0.00 42.46 41.91 2c3u s ILE 544 CO 0.19 0.06 1.85 -0.67 -2.11 0.00 0.00 174.94 174.26 2c3u n ASP 545 N 5.19 4.69 -0.14 4.50 -0.08 -1.16 -2.45 116.55 127.11 2c3u n ASP 545 Ca -0.11 -2.93 0.14 0.00 -1.51 0.00 0.00 54.79 50.38 2c3u n ASP 545 Cb 0.50 -1.66 0.49 0.00 2.34 0.00 0.00 41.12 42.79 2c3u n ASP 545 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2c3u h ALA 546 N 6.82 2.05 -0.60 -1.67 0.00 -1.93 -0.68 119.26 123.26 2c3u h ALA 546 Ca 0.46 -0.00 -0.10 0.00 0.00 0.00 0.00 54.91 55.26 2c3u h ALA 546 Cb 0.77 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.47 2c3u h ALA 546 CO 1.57 -0.23 -0.02 0.28 0.00 0.00 0.00 179.25 180.85 2c3u h VAL 547 N 0.44 1.27 0.02 0.00 2.07 -1.85 -1.62 116.25 116.57 2c3u h VAL 547 Ca 0.34 -1.18 -0.00 0.00 0.82 0.00 0.00 66.70 66.68 2c3u h VAL 547 Cb 0.72 0.82 0.00 0.00 -1.52 0.00 0.00 31.29 31.31 2c3u h VAL 547 CO -0.11 0.43 -0.01 0.50 0.02 0.00 0.00 177.57 178.40 2c3u h LYS 548 N 0.96 -0.02 -0.00 1.57 3.11 -1.55 -2.19 116.57 118.45 2c3u h LYS 548 Ca 0.17 0.00 0.03 0.00 -2.81 0.00 0.00 60.65 58.04 2c3u h LYS 548 Cb 0.58 0.01 -0.04 0.00 -1.00 0.00 0.00 32.23 31.77 2c3u h LYS 548 CO 0.03 0.49 -0.25 0.82 -2.81 0.00 0.00 179.45 177.74 2c3u h ILE 549 N -0.55 0.43 -0.42 2.00 1.08 -1.22 0.22 117.51 119.06 2c3u h ILE 549 Ca -0.00 0.00 0.09 0.00 -0.39 0.00 0.00 64.86 64.55 2c3u h ILE 549 Cb 0.52 0.43 -0.08 0.00 -3.07 0.00 0.00 36.82 34.63 2c3u h ILE 549 CO 0.00 0.00 -0.13 0.00 -0.69 0.00 0.00 178.15 177.34 2c3u h ALA 550 N 0.46 0.24 -0.41 1.87 0.00 -1.34 -0.42 119.26 119.66 2c3u h ALA 550 Ca 0.06 0.16 0.01 0.00 0.00 0.00 0.00 54.91 55.14 2c3u h ALA 550 Cb 0.47 0.36 -0.02 0.00 0.00 0.00 0.00 17.79 18.59 2c3u h ALA 550 CO -0.22 -0.47 0.27 1.15 0.00 0.00 0.00 179.25 179.98 2c3u h THR 551 N -0.03 1.10 -0.06 0.00 2.02 -0.80 0.28 112.91 115.42 2c3u h THR 551 Ca 0.20 -0.19 0.04 0.00 0.77 0.00 0.00 66.41 67.23 2c3u h THR 551 Cb 0.34 0.50 -0.05 0.00 -1.74 0.00 0.00 68.15 67.20 2c3u h THR 551 CO -0.45 0.10 -0.24 0.44 0.37 0.00 0.00 175.52 175.74 2c3u h ASP 552 N 0.56 -0.72 0.28 4.18 5.19 0.96 -0.66 116.42 126.20 2c3u h ASP 552 Ca 0.15 0.11 0.00 0.00 -0.62 0.00 0.00 57.03 56.67 2c3u h ASP 552 Cb -0.06 0.31 0.00 0.00 0.18 0.00 0.00 39.33 39.76 2c3u h ASP 552 CO -0.04 -0.30 0.00 1.33 -3.12 0.00 0.00 179.24 177.11 2c3u n VAL 553 N -5.36 0.18 -0.16 -1.35 0.24 -0.36 -4.88 118.33 106.63 2c3u n VAL 553 Ca -0.04 0.05 0.00 0.00 -2.04 0.00 0.00 64.34 62.31 2c3u n VAL 553 Cb 0.28 -0.67 0.00 0.00 -1.47 0.00 0.00 33.84 31.98 2c3u n VAL 553 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2c3u n GLY 554 N 0.60 0.63 0.00 7.63 0.00 -0.25 -4.77 105.19 109.02 2c3u n GLY 554 Ca 0.13 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.18 2c3u n GLY 554 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2c3u n LEU 555 N 0.00 0.00 -2.34 0.99 4.77 0.90 -4.80 117.00 116.51 2c3u n LEU 555 Ca 0.00 0.00 -0.17 0.00 -0.03 0.00 0.00 56.01 55.81 2c3u n LEU 555 Cb 0.00 0.00 0.02 0.00 -2.33 0.00 0.00 43.42 41.11 2c3u n LEU 555 CO 0.00 0.00 -0.02 0.61 -1.33 0.00 0.00 177.39 176.65 2c3u n GLY 556 N -0.45 -0.26 2.24 -0.72 0.00 -1.19 -3.18 105.19 101.65 2c3u n GLY 556 Ca 0.04 -0.09 0.00 0.00 0.00 0.00 0.00 46.02 45.98 2c3u n GLY 556 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2c3u n GLY 557 N -1.32 1.30 3.64 -0.02 0.00 -1.25 -4.83 105.19 102.70 2c3u n GLY 557 Ca -0.10 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.49 2c3u n GLY 557 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2c3u s ARG 558 N -0.25 3.98 0.00 1.61 0.52 -1.19 -4.66 118.95 118.95 2c3u s ARG 558 Ca 0.00 1.33 0.29 0.00 -0.52 0.00 0.00 55.73 56.82 2c3u s ARG 558 Cb 0.00 -3.85 1.18 0.00 0.52 0.00 0.00 34.95 32.80 2c3u s ARG 558 CO 0.00 -1.03 1.84 0.44 0.02 0.00 0.00 175.30 176.56 2c3u n ILE 559 N 6.04 0.00 -0.14 1.52 -6.64 -1.26 -4.42 119.36 114.45 2c3u n ILE 559 Ca 0.15 -0.05 -0.04 0.00 -1.77 0.00 0.00 62.75 61.03 2c3u n ILE 559 Cb 0.46 -0.10 0.05 0.00 -1.44 0.00 0.00 39.64 38.60 2c3u n ILE 559 CO 0.00 0.00 0.00 -0.55 -1.77 0.00 0.00 176.55 174.23 2c3u h ASN 560 N 0.49 0.20 -0.63 7.28 7.08 -1.92 -1.82 115.58 126.27 2c3u h ASN 560 Ca 0.00 0.05 -0.05 0.00 -3.08 0.00 0.00 56.30 53.22 2c3u h ASN 560 Cb 0.38 0.02 -0.03 0.00 -2.08 0.00 0.00 38.32 36.61 2c3u h ASN 560 CO 0.00 0.15 0.22 -0.03 -2.08 0.00 0.00 177.43 175.69 2c3u h MET 561 N 0.36 0.99 -0.09 4.14 4.05 -1.94 -0.60 114.93 121.84 2c3u h MET 561 Ca 0.21 -0.19 -0.02 0.00 -0.28 0.00 0.00 59.70 59.42 2c3u h MET 561 Cb 0.19 -0.16 -0.00 0.00 -0.80 0.00 0.00 31.60 30.83 2c3u h MET 561 CO -0.20 0.83 -0.03 0.82 0.23 0.00 0.00 176.91 178.56 2c3u h ILE 562 N 0.96 1.30 -0.10 1.77 5.03 -1.74 -1.53 117.51 123.20 2c3u h ILE 562 Ca 0.22 -0.99 -0.04 0.00 -0.12 0.00 0.00 64.86 63.93 2c3u h ILE 562 Cb 0.25 1.78 -0.01 0.00 -3.03 0.00 0.00 36.82 35.80 2c3u h ILE 562 CO -0.01 0.28 -0.13 0.24 -0.68 0.00 0.00 178.15 177.84 2c3u h MET 563 N -0.16 0.16 -0.44 2.37 2.86 -1.23 0.44 114.93 118.93 2c3u h MET 563 Ca 0.02 -0.03 -0.04 0.00 -2.06 0.00 0.00 59.70 57.59 2c3u h MET 563 Cb 0.45 -0.02 -0.02 0.00 0.06 0.00 0.00 31.60 32.07 2c3u h MET 563 CO 0.01 0.30 0.13 0.37 1.06 0.00 0.00 176.91 178.78 2c3u h GLN 564 N 0.15 0.69 -0.16 1.72 5.75 -0.98 -1.09 115.11 121.19 2c3u h GLN 564 Ca 0.03 -0.15 -0.00 0.00 -0.15 0.00 0.00 58.65 58.38 2c3u h GLN 564 Cb 0.34 -0.10 -0.01 0.00 1.07 0.00 0.00 27.48 28.78 2c3u h GLN 564 CO 0.02 0.68 0.09 1.15 -2.65 0.00 0.00 178.83 178.12 2c3u h THR 565 N 0.57 1.08 -0.56 2.39 2.02 -0.16 -1.69 112.91 116.56 2c3u h THR 565 Ca 0.14 -0.21 0.11 0.00 0.77 0.00 0.00 66.41 67.22 2c3u h THR 565 Cb 0.28 0.93 -0.11 0.00 -1.74 0.00 0.00 68.15 67.51 2c3u h THR 565 CO -0.00 0.08 -0.21 0.00 0.37 0.00 0.00 175.52 175.75 2c3u h ALA 566 N 1.01 0.22 0.23 6.16 0.00 -0.63 -0.04 119.26 126.21 2c3u h ALA 566 Ca 0.06 0.20 0.01 0.00 0.00 0.00 0.00 54.91 55.18 2c3u h ALA 566 Cb 0.04 0.55 -0.03 0.00 0.00 0.00 0.00 17.79 18.36 2c3u h ALA 566 CO -0.01 -0.52 -0.32 0.35 0.00 0.00 0.00 179.25 178.75 2c3u h PHE 567 N -0.08 -0.86 -0.90 0.00 3.57 -0.70 -0.13 116.94 117.85 2c3u h PHE 567 Ca 0.26 0.01 0.07 0.00 3.53 0.00 0.00 57.97 61.84 2c3u h PHE 567 Cb 0.48 0.35 -0.07 0.00 2.79 0.00 0.00 35.95 39.50 2c3u h PHE 567 CO -0.53 -0.44 0.56 0.74 -2.23 0.00 0.00 178.31 176.42 2c3u h PHE 568 N -0.61 1.04 -0.02 0.41 0.04 -0.54 0.14 116.94 117.40 2c3u h PHE 568 Ca 0.00 0.03 -0.22 0.00 2.80 0.00 0.00 57.97 60.58 2c3u h PHE 568 Cb 0.59 -0.33 0.02 0.00 2.20 0.00 0.00 35.95 38.42 2c3u h PHE 568 CO -0.23 0.51 -0.86 -0.22 -0.60 0.00 0.00 178.31 176.91 2c3u h LYS 569 N 1.01 0.62 -0.00 1.51 3.64 -0.80 -3.39 116.57 119.15 2c3u h LYS 569 Ca 0.40 -0.64 0.00 0.00 -1.27 0.00 0.00 60.65 59.14 2c3u h LYS 569 Cb 0.21 0.17 0.00 0.00 -0.41 0.00 0.00 32.23 32.20 2c3u h LYS 569 CO -0.19 1.24 -0.66 1.28 -2.27 0.00 0.00 179.45 178.86 2c3u n LEU 570 N -3.99 1.05 -0.11 5.20 4.32 -0.08 -4.57 117.00 118.81 2c3u n LEU 570 Ca -0.10 -0.58 -0.03 0.00 -0.02 0.00 0.00 56.01 55.28 2c3u n LEU 570 Cb 0.79 0.00 0.20 0.00 -1.62 0.00 0.00 43.42 42.79 2c3u n LEU 570 CO 0.52 0.23 0.95 0.00 -1.22 0.00 0.00 177.39 177.88 2c3u h ALA 571 N 2.53 1.21 0.00 -1.18 0.00 -1.12 -3.47 119.26 117.23 2c3u h ALA 571 Ca 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.70 2c3u h ALA 571 Cb 0.45 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.03 2c3u h ALA 571 CO 0.00 0.53 0.00 0.41 0.00 0.00 0.00 179.25 180.19 2c3u n GLY 572 N -0.82 0.59 0.07 0.00 0.00 -1.26 -4.88 105.19 98.89 2c3u n GLY 572 Ca 0.03 -0.56 -0.08 0.00 0.00 0.00 0.00 46.02 45.41 2c3u n GLY 572 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 2c3u h VAL 573 N 0.00 1.17 -3.99 1.61 -1.51 -1.90 -3.47 116.25 108.16 2c3u h VAL 573 Ca 0.00 -2.97 -0.21 0.00 -1.23 0.00 0.00 66.70 62.29 2c3u h VAL 573 Cb 0.00 2.58 -0.19 0.00 -2.13 0.00 0.00 31.29 31.55 2c3u h VAL 573 CO 0.00 0.67 -0.71 -0.76 -1.23 0.00 0.00 177.57 175.54 2c3u s LEU 574 N -6.32 2.35 0.27 4.19 1.43 -1.26 -5.12 118.68 114.21 2c3u s LEU 574 Ca -0.02 -0.72 -0.29 0.00 -1.03 0.00 0.00 54.13 52.06 2c3u s LEU 574 Cb 0.09 -0.01 -0.09 0.00 0.03 0.00 0.00 46.19 46.21 2c3u s LEU 574 CO 0.82 -0.36 1.19 -2.16 0.23 0.00 0.00 176.35 176.07 2c3u s PRO 575 N -2.50 4.52 0.20 1.29 0.04 -1.26 -4.78 135.00 132.52 2c3u s PRO 575 Ca -0.03 1.94 -0.11 0.00 0.04 0.00 0.00 61.00 62.84 2c3u s PRO 575 Cb -0.03 -3.17 0.27 0.00 0.04 0.00 0.00 34.50 31.61 2c3u s PRO 575 CO -0.03 0.02 1.25 0.34 0.04 0.00 0.00 177.00 178.62 2c3u n PHE 576 N 1.48 0.14 0.01 0.56 -0.00 -1.26 -0.84 117.46 117.55 2c3u n PHE 576 Ca 0.01 0.99 -0.04 0.00 -0.00 0.00 0.00 57.45 58.40 2c3u n PHE 576 Cb 0.44 -0.87 -0.03 0.00 -0.00 0.00 0.00 39.48 39.02 2c3u n PHE 576 CO 0.00 0.00 0.00 0.93 -0.00 0.00 0.00 176.76 177.69 2c3u h GLU 577 N 0.00 -0.17 -0.56 -4.13 4.39 -1.99 -1.40 114.58 110.72 2c3u h GLU 577 Ca 0.33 0.01 0.03 0.00 0.34 0.00 0.00 59.36 60.07 2c3u h GLU 577 Cb 0.53 0.04 -0.04 0.00 -0.10 0.00 0.00 28.75 29.18 2c3u h GLU 577 CO -0.81 -0.12 0.33 -0.22 -1.16 0.00 0.00 179.01 177.03 2c3u h LYS 578 N -0.18 0.63 0.00 2.33 3.64 -1.80 -2.12 116.57 119.08 2c3u h LYS 578 Ca 0.01 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.35 2c3u h LYS 578 Cb 0.20 -0.14 0.00 0.00 -0.41 0.00 0.00 32.23 31.88 2c3u h LYS 578 CO -0.11 0.42 0.00 0.00 -2.27 0.00 0.00 179.45 177.49 2c3u n ALA 579 N -2.29 -0.09 -0.29 5.00 0.00 -0.02 0.72 120.51 123.54 2c3u n ALA 579 Ca 0.05 0.00 0.16 0.00 0.00 0.00 0.00 53.44 53.65 2c3u n ALA 579 Cb 0.09 0.18 0.43 0.00 0.00 0.00 0.00 19.45 20.14 2c3u n ALA 579 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2c3u h VAL 580 N 0.00 0.71 0.41 0.00 2.07 -1.34 0.66 116.25 118.77 2c3u h VAL 580 Ca 0.00 -0.20 -0.02 0.00 0.82 0.00 0.00 66.70 67.30 2c3u h VAL 580 Cb 0.00 0.08 0.00 0.00 -1.52 0.00 0.00 31.29 29.85 2c3u h VAL 580 CO 0.00 0.11 -0.22 -0.78 0.02 0.00 0.00 177.57 176.69 2c3u h ASP 581 N 0.58 -0.54 -0.27 0.57 -0.00 -1.07 -1.77 116.42 113.93 2c3u h ASP 581 Ca 0.51 0.03 0.03 0.00 -0.00 0.00 0.00 57.03 57.59 2c3u h ASP 581 Cb 1.02 0.15 -0.03 0.00 -0.00 0.00 0.00 39.33 40.47 2c3u h ASP 581 CO -0.25 -0.36 0.08 0.25 -0.00 0.00 0.00 179.24 178.95 2c3u h LEU 582 N -0.59 0.07 -0.46 2.28 5.85 0.21 -1.99 115.31 120.67 2c3u h LEU 582 Ca -0.05 0.03 0.08 0.00 0.84 0.00 0.00 57.88 58.78 2c3u h LEU 582 Cb 0.47 0.03 -0.07 0.00 0.37 0.00 0.00 40.66 41.46 2c3u h LEU 582 CO 0.07 0.07 0.06 0.25 -0.34 0.00 0.00 178.44 178.55 2c3u h LEU 583 N 0.19 -0.07 -0.97 2.25 6.46 -0.85 -1.74 115.31 120.58 2c3u h LEU 583 Ca 0.12 0.09 -0.01 0.00 -0.12 0.00 0.00 57.88 57.96 2c3u h LEU 583 Cb 0.10 0.14 -0.04 0.00 -0.73 0.00 0.00 40.66 40.13 2c3u h LEU 583 CO -0.14 -0.01 0.53 0.11 -0.62 0.00 0.00 178.44 178.31 2c3u h LYS 584 N 0.18 1.24 -0.63 1.25 1.57 -0.82 -1.50 116.57 117.86 2c3u h LYS 584 Ca 0.23 -0.12 -0.03 0.00 -1.87 0.00 0.00 60.65 58.85 2c3u h LYS 584 Cb 0.32 -0.25 -0.03 0.00 0.08 0.00 0.00 32.23 32.35 2c3u h LYS 584 CO -0.33 0.88 0.25 0.87 -0.57 0.00 0.00 179.45 180.55 2c3u h LYS 585 N 1.26 0.91 0.00 3.15 1.57 -0.62 -1.32 116.57 121.52 2c3u h LYS 585 Ca 0.32 -0.14 -0.05 0.00 -1.87 0.00 0.00 60.65 58.91 2c3u h LYS 585 Cb -0.02 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 32.12 2c3u h LYS 585 CO -0.06 0.74 -0.25 0.66 -0.57 0.00 0.00 179.45 179.98 2c3u h SER 586 N 0.90 0.00 -0.64 0.86 4.64 -0.68 -1.44 113.55 117.20 2c3u h SER 586 Ca 0.21 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 61.48 2c3u h SER 586 Cb 0.17 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.23 2c3u h SER 586 CO -0.02 0.25 0.20 0.40 -0.87 0.00 0.00 176.83 176.79 2c3u h ILE 587 N 0.00 1.25 -0.07 0.95 1.08 -0.24 0.85 117.51 121.33 2c3u h ILE 587 Ca -0.00 -0.84 -0.06 0.00 -0.39 0.00 0.00 64.86 63.57 2c3u h ILE 587 Cb 0.74 0.59 0.00 0.00 -3.07 0.00 0.00 36.82 35.08 2c3u h ILE 587 CO 0.03 0.32 -0.18 0.45 -0.69 0.00 0.00 178.15 178.08 2c3u h HIS 588 N 0.91 0.31 0.02 1.37 3.86 -1.25 -3.30 115.15 117.08 2c3u h HIS 588 Ca 0.21 -0.12 0.01 0.00 -1.16 0.00 0.00 60.37 59.30 2c3u h HIS 588 Cb 0.29 -0.05 -0.03 0.00 1.06 0.00 0.00 27.41 28.67 2c3u h HIS 588 CO 0.02 0.79 -0.33 -0.22 0.86 0.00 0.00 177.93 179.05 2c3u h LYS 589 N -0.26 -0.42 0.00 2.45 3.64 -1.11 -3.38 116.57 117.50 2c3u h LYS 589 Ca -0.00 0.03 -0.23 0.00 -1.27 0.00 0.00 60.65 59.17 2c3u h LYS 589 Cb 0.79 0.09 0.11 0.00 -0.41 0.00 0.00 32.23 32.81 2c3u h LYS 589 CO 0.04 -0.28 0.12 0.00 -2.27 0.00 0.00 179.45 177.07 2c3u n ALA 590 N -2.77 -1.60 -0.40 5.00 0.00 0.28 -4.74 120.51 116.28 2c3u n ALA 590 Ca -0.05 -0.95 0.00 0.00 0.00 0.00 0.00 53.44 52.44 2c3u n ALA 590 Cb 0.25 -0.06 0.00 0.00 0.00 0.00 0.00 19.45 19.64 2c3u n ALA 590 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 2c3u n TYR 591 N -3.58 0.00 -0.61 0.00 4.01 -1.26 -4.70 117.16 111.01 2c3u n TYR 591 Ca 0.09 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.83 2c3u n TYR 591 Cb 0.33 0.01 0.00 0.00 -0.31 0.00 0.00 39.34 39.38 2c3u n TYR 591 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2c3u n GLY 592 N 0.00 0.00 0.14 2.72 0.00 -1.26 -4.76 105.19 102.04 2c3u n GLY 592 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.91 2c3u n GLY 592 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 2c3u h LYS 593 N 0.00 0.39 -4.25 1.61 2.10 -1.91 -3.39 116.57 111.12 2c3u h LYS 593 Ca 0.00 -0.11 -0.67 0.00 -2.00 0.00 0.00 60.65 57.87 2c3u h LYS 593 Cb 0.32 -0.04 -0.38 0.00 -0.90 0.00 0.00 32.23 31.22 2c3u h LYS 593 CO 0.00 0.54 -0.61 0.15 -2.00 0.00 0.00 179.45 177.52 2c3u s LYS 594 N -5.13 1.84 0.99 0.07 1.02 -1.26 -5.07 119.74 112.21 2c3u s LYS 594 Ca -0.14 -2.08 0.00 0.00 0.02 0.00 0.00 55.97 53.77 2c3u s LYS 594 Cb 0.07 -3.39 0.00 0.00 -0.52 0.00 0.00 37.83 33.99 2c3u s LYS 594 CO 0.73 -1.04 0.00 0.41 -0.92 0.00 0.00 175.35 174.54 2c3u n GLY 595 N 4.03 0.30 0.55 -3.33 0.00 -1.26 -3.66 105.19 101.82 2c3u n GLY 595 Ca 0.03 -0.69 0.12 0.00 0.00 0.00 0.00 46.02 45.48 2c3u n GLY 595 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2c3u n GLU 596 N -0.27 1.40 0.39 1.61 -0.58 -1.26 -4.40 120.64 117.53 2c3u n GLU 596 Ca 0.00 -1.11 -0.18 0.00 -0.42 0.00 0.00 57.16 55.46 2c3u n GLU 596 Cb 0.00 -1.48 -0.09 0.00 -0.57 0.00 0.00 31.44 29.30 2c3u n GLU 596 CO 0.00 0.00 0.00 -0.22 -0.48 0.00 0.00 177.13 176.43 2c3u h LYS 597 N 2.70 -0.94 -0.18 3.49 3.64 -2.01 0.11 116.57 123.38 2c3u h LYS 597 Ca 0.00 0.06 -0.02 0.00 -1.27 0.00 0.00 60.65 59.43 2c3u h LYS 597 Cb 0.75 0.21 -0.01 0.00 -0.41 0.00 0.00 32.23 32.78 2c3u h LYS 597 CO 0.00 -0.61 0.02 0.82 -2.27 0.00 0.00 179.45 177.42 2c3u h ILE 598 N -1.06 1.10 0.64 2.00 2.04 -1.78 -2.70 117.51 117.76 2c3u h ILE 598 Ca -0.10 -0.37 -0.03 0.00 1.00 0.00 0.00 64.86 65.36 2c3u h ILE 598 Cb 0.77 0.94 0.01 0.00 -0.74 0.00 0.00 36.82 37.80 2c3u h ILE 598 CO 0.16 0.13 -0.31 0.58 0.00 0.00 0.00 178.15 178.72 2c3u h VAL 599 N 0.25 0.29 -0.82 1.67 2.07 -1.70 -3.07 116.25 114.94 2c3u h VAL 599 Ca 0.06 -0.21 0.19 0.00 0.82 0.00 0.00 66.70 67.56 2c3u h VAL 599 Cb 0.13 0.36 -0.12 0.00 -1.52 0.00 0.00 31.29 30.14 2c3u h VAL 599 CO -0.00 0.02 0.27 0.50 0.02 0.00 0.00 177.57 178.39 2c3u h LYS 600 N -1.01 0.31 -1.00 1.57 1.63 -0.53 0.17 116.57 117.72 2c3u h LYS 600 Ca -0.09 -0.02 0.10 0.00 -0.85 0.00 0.00 60.65 59.80 2c3u h LYS 600 Cb 0.70 -0.07 -0.08 0.00 -0.60 0.00 0.00 32.23 32.18 2c3u h LYS 600 CO 0.14 0.21 0.63 0.52 -3.45 0.00 0.00 179.45 177.50 2c3u h MET 601 N 0.32 1.01 -0.05 1.90 2.86 -1.44 0.57 114.93 120.10 2c3u h MET 601 Ca 0.49 -0.06 -0.12 0.00 -2.06 0.00 0.00 59.70 57.95 2c3u h MET 601 Cb 0.90 -0.23 0.01 0.00 0.06 0.00 0.00 31.60 32.34 2c3u h MET 601 CO -0.54 0.67 -0.43 -0.91 1.06 0.00 0.00 176.91 176.76 2c3u h ASN 602 N 1.04 0.46 -0.51 1.22 4.21 -0.66 0.02 115.58 121.35 2c3u h ASN 602 Ca 0.47 -0.70 0.04 0.00 1.21 0.00 0.00 56.30 57.33 2c3u h ASN 602 Cb 0.39 -0.14 -0.04 0.00 -1.12 0.00 0.00 38.32 37.41 2c3u h ASN 602 CO -0.23 1.09 0.26 0.74 -1.29 0.00 0.00 177.43 178.00 2c3u h THR 603 N -0.13 0.97 -0.38 2.81 2.02 -0.55 -0.64 112.91 117.01 2c3u h THR 603 Ca -0.04 -0.18 0.02 0.00 0.77 0.00 0.00 66.41 66.98 2c3u h THR 603 Cb 1.11 0.41 -0.03 0.00 -1.74 0.00 0.00 68.15 67.90 2c3u h THR 603 CO 0.09 0.09 0.21 0.44 0.37 0.00 0.00 175.52 176.72 2c3u h ASP 604 N 0.51 0.33 -0.59 4.18 3.45 0.15 -1.24 116.42 123.22 2c3u h ASP 604 Ca 0.22 0.01 0.09 0.00 0.43 0.00 0.00 57.03 57.78 2c3u h ASP 604 Cb 0.12 -0.06 -0.07 0.00 -0.56 0.00 0.00 39.33 38.77 2c3u h ASP 604 CO -0.15 0.24 0.22 0.00 -1.57 0.00 0.00 179.24 177.98 2c3u h ALA 605 N 1.18 0.75 0.85 3.45 0.00 0.04 0.23 119.26 125.76 2c3u h ALA 605 Ca 0.16 0.07 -0.04 0.00 0.00 0.00 0.00 54.91 55.10 2c3u h ALA 605 Cb 0.03 0.04 0.01 0.00 0.00 0.00 0.00 17.79 17.87 2c3u h ALA 605 CO -0.09 -0.18 -0.41 0.28 0.00 0.00 0.00 179.25 178.85 2c3u h VAL 606 N 0.41 0.15 -0.46 0.00 2.07 -0.66 0.57 116.25 118.34 2c3u h VAL 606 Ca 0.29 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.90 2c3u h VAL 606 Cb 0.34 0.15 -0.10 0.00 -1.52 0.00 0.00 31.29 30.16 2c3u h VAL 606 CO -0.28 0.00 -0.27 0.44 0.02 0.00 0.00 177.57 177.48 2c3u h ASP 607 N -1.15 -0.90 0.60 0.57 3.45 -0.89 0.13 116.42 118.23 2c3u h ASP 607 Ca -0.12 0.19 -0.04 0.00 0.43 0.00 0.00 57.03 57.49 2c3u h ASP 607 Cb 0.88 0.46 -0.01 0.00 -0.56 0.00 0.00 39.33 40.11 2c3u h ASP 607 CO 0.19 -0.28 -0.21 -0.61 -1.57 0.00 0.00 179.24 176.76 2c3u h GLN 608 N -0.17 0.00 -0.17 3.56 4.15 -0.89 -2.52 115.11 119.07 2c3u h GLN 608 Ca 0.21 0.00 -0.12 0.00 0.77 0.00 0.00 58.65 59.51 2c3u h GLN 608 Cb 0.50 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.19 2c3u h GLN 608 CO -0.56 0.21 -0.36 0.00 -1.93 0.00 0.00 178.83 176.19 2c3u h ALA 609 N 1.79 0.27 -0.76 3.38 0.00 0.15 -2.04 119.26 122.05 2c3u h ALA 609 Ca -0.00 -0.44 -0.01 0.00 0.00 0.00 0.00 54.91 54.46 2c3u h ALA 609 Cb 0.57 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.28 2c3u h ALA 609 CO 0.03 0.34 0.43 0.28 0.00 0.00 0.00 179.25 180.33 2c3u h VAL 610 N 0.19 1.22 0.14 0.00 2.07 -0.65 -0.78 116.25 118.45 2c3u h VAL 610 Ca 0.00 -0.53 -0.01 0.00 0.82 0.00 0.00 66.70 66.99 2c3u h VAL 610 Cb 0.96 0.20 0.00 0.00 -1.52 0.00 0.00 31.29 30.93 2c3u h VAL 610 CO 0.08 0.24 -0.07 0.74 0.02 0.00 0.00 177.57 178.58 2c3u h THR 611 N 1.04 0.99 0.00 2.57 2.02 -1.44 -3.16 112.91 114.93 2c3u h THR 611 Ca 0.27 -0.57 -0.02 0.00 0.77 0.00 0.00 66.41 66.86 2c3u h THR 611 Cb 0.01 1.34 -0.00 0.00 -1.74 0.00 0.00 68.15 67.75 2c3u h THR 611 CO -0.05 0.13 -0.09 0.28 0.37 0.00 0.00 175.52 176.17 2c3u h SER 612 N -0.46 0.00 -0.76 4.18 0.02 -1.29 -3.40 113.55 111.84 2c3u h SER 612 Ca -0.02 0.00 -0.46 0.00 -0.84 0.00 0.00 61.79 60.47 2c3u h SER 612 Cb 0.37 0.00 -0.06 0.00 0.14 0.00 0.00 62.40 62.84 2c3u h SER 612 CO 0.03 0.09 1.36 -0.22 -1.14 0.00 0.00 176.83 176.95 2c3u s LEU 613 N -6.60 3.37 0.08 5.07 2.96 -0.31 -4.93 118.68 118.32 2c3u s LEU 613 Ca -0.01 -1.58 0.10 0.00 -0.22 0.00 0.00 54.13 52.42 2c3u s LEU 613 Cb 0.11 -2.58 -0.03 0.00 0.50 0.00 0.00 46.19 44.19 2c3u s LEU 613 CO 0.56 -2.20 -0.25 -1.10 -1.32 0.00 0.00 176.35 172.04 2c3u s GLN 614 N 5.73 1.53 -0.30 1.98 -1.52 -1.26 -4.99 119.66 120.84 2c3u s GLN 614 Ca 0.61 -1.19 -0.30 0.00 -1.95 0.00 0.00 55.36 52.53 2c3u s GLN 614 Cb -0.01 -1.84 -0.07 0.00 -0.22 0.00 0.00 33.01 30.87 2c3u s GLN 614 CO 0.04 0.45 2.25 -1.91 -0.25 0.00 0.00 175.29 175.87 2c3u n GLU 615 N 1.39 1.59 -1.79 2.91 2.13 -1.26 -4.48 120.64 121.13 2c3u n GLU 615 Ca -0.18 0.40 -0.42 0.00 0.66 0.00 0.00 57.16 57.62 2c3u n GLU 615 Cb 0.53 -3.03 -0.03 0.00 0.27 0.00 0.00 31.44 29.18 2c3u n GLU 615 CO 0.00 0.00 0.00 0.12 -0.41 0.00 0.00 177.13 176.84 2c3u s PHE 616 N 8.53 1.52 -0.20 4.31 5.36 0.72 -4.94 117.98 133.28 2c3u s PHE 616 Ca 1.04 -0.16 -0.19 0.00 -0.96 0.00 0.00 56.93 56.65 2c3u s PHE 616 Cb -0.47 -4.12 -0.03 0.00 -0.34 0.00 0.00 43.02 38.06 2c3u s PHE 616 CO 0.38 -4.85 0.57 0.15 -1.46 0.00 0.00 175.22 170.01 2c3u s LYS 617 N 4.46 4.20 0.09 10.12 -0.14 -1.26 -4.57 119.74 132.63 2c3u s LYS 617 Ca 0.84 0.50 0.06 0.00 -1.36 0.00 0.00 55.97 56.01 2c3u s LYS 617 Cb -0.38 -3.57 -0.04 0.00 -1.68 0.00 0.00 37.83 32.15 2c3u s LYS 617 CO 0.37 -0.20 -0.07 1.52 -0.76 0.00 0.00 175.35 176.21 2c3u s TYR 618 N 1.78 2.82 0.59 3.18 -0.85 -1.26 -5.04 117.35 118.57 2c3u s TYR 618 Ca 0.26 -0.11 -0.17 0.00 -0.52 0.00 0.00 57.07 56.53 2c3u s TYR 618 Cb -0.16 -1.47 -0.04 0.00 0.38 0.00 0.00 41.96 40.67 2c3u s TYR 618 CO 0.10 0.44 1.08 -1.25 -1.52 0.00 0.00 175.55 174.40 2c3u s PRO 619 N -2.20 3.27 0.00 -3.49 0.04 -1.26 -4.90 135.00 126.46 2c3u s PRO 619 Ca 0.22 1.34 0.11 0.00 0.04 0.00 0.00 61.00 62.71 2c3u s PRO 619 Cb -0.11 -2.02 0.56 0.00 0.04 0.00 0.00 34.50 32.97 2c3u s PRO 619 CO 0.15 -0.87 1.26 -3.47 0.04 0.00 0.00 177.00 174.11 2c3u n ASP 620 N -1.86 0.00 0.17 6.66 2.03 -1.26 -2.47 116.55 119.82 2c3u n ASP 620 Ca 0.10 0.15 0.03 0.00 0.52 0.00 0.00 54.79 55.59 2c3u n ASP 620 Cb 0.52 -0.30 0.40 0.00 -0.72 0.00 0.00 41.12 41.02 2c3u n ASP 620 CO 0.00 0.00 0.00 0.28 -1.92 0.00 0.00 177.20 175.56 2c3u h SER 621 N 0.00 0.09 -0.56 1.67 0.02 -2.00 -2.82 113.55 109.94 2c3u h SER 621 Ca 0.00 -0.02 0.11 0.00 -0.84 0.00 0.00 61.79 61.04 2c3u h SER 621 Cb 0.11 -0.02 -0.03 0.00 0.14 0.00 0.00 62.40 62.60 2c3u h SER 621 CO 0.00 0.34 0.38 -0.50 -1.14 0.00 0.00 176.83 175.91 2c3u h TRP 622 N 0.08 0.29 0.00 3.45 4.06 -1.81 -2.22 115.95 119.80 2c3u h TRP 622 Ca 0.01 0.01 0.00 0.00 2.06 0.00 0.00 58.89 60.97 2c3u h TRP 622 Cb 0.49 -0.09 0.00 0.00 -1.00 0.00 0.00 29.16 28.56 2c3u h TRP 622 CO 0.00 0.13 0.45 1.63 -3.56 0.00 0.00 178.44 177.10 2c3u n LYS 623 N -4.45 0.06 -2.02 0.49 5.02 -1.06 -1.25 118.16 114.94 2c3u n LYS 623 Ca 0.09 0.50 -0.02 0.00 -2.02 0.00 0.00 58.31 56.86 2c3u n LYS 623 Cb 0.44 -2.13 0.04 0.00 -0.02 0.00 0.00 35.03 33.35 2c3u n LYS 623 CO 0.00 0.00 0.00 -0.40 -0.52 0.00 0.00 177.40 176.48 2c3u n ASP 624 N -1.87 -0.38 -4.68 4.39 5.68 -0.84 -4.89 116.55 113.96 2c3u n ASP 624 Ca -0.00 -2.08 -0.43 0.00 -0.50 0.00 0.00 54.79 51.77 2c3u n ASP 624 Cb 0.47 0.20 -0.01 0.00 -1.14 0.00 0.00 41.12 40.63 2c3u n ASP 624 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2c3u n ALA 625 N -0.59 1.13 -1.70 2.12 0.00 -0.38 -4.84 120.51 116.24 2c3u n ALA 625 Ca -0.13 0.38 -0.43 0.00 0.00 0.00 0.00 53.44 53.26 2c3u n ALA 625 Cb 0.85 -2.25 -0.03 0.00 0.00 0.00 0.00 19.45 18.02 2c3u n ALA 625 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 2c3u n PRO 626 N 1.11 2.58 -1.54 0.00 -0.04 -1.26 -4.91 135.00 130.95 2c3u n PRO 626 Ca 0.08 0.93 -0.36 0.00 -0.04 0.00 0.00 63.50 64.11 2c3u n PRO 626 Cb 0.34 -2.76 0.09 0.00 -0.04 0.00 0.00 33.50 31.13 2c3u n PRO 626 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2c3u s ALA 627 N 1.14 2.20 0.50 0.55 0.00 -1.26 -4.80 121.76 120.08 2c3u s ALA 627 Ca 0.76 1.10 -0.00 0.00 0.00 0.00 0.00 51.96 53.83 2c3u s ALA 627 Cb -0.56 -3.54 0.02 0.00 0.00 0.00 0.00 23.12 19.04 2c3u s ALA 627 CO 0.34 -1.83 0.15 -0.85 0.00 0.00 0.00 175.76 173.56 2c3u n GLU 628 N -2.36 0.44 0.00 0.00 0.28 -1.26 -5.10 120.64 112.64 2c3u n GLU 628 Ca 0.15 -0.38 0.00 0.00 -0.16 0.00 0.00 57.16 56.78 2c3u n GLU 628 Cb 0.49 -0.11 0.00 0.00 1.43 0.00 0.00 31.44 33.25 2c3u n GLU 628 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 177.13 177.22 2c3u n THR 629 N -1.67 0.00 -2.74 3.84 -2.24 -1.26 -5.10 114.28 105.11 2c3u n THR 629 Ca 0.02 0.00 -0.08 0.00 -2.27 0.00 0.00 64.05 61.72 2c3u n THR 629 Cb 0.08 0.00 0.06 0.00 -2.10 0.00 0.00 70.33 68.37 2c3u n THR 629 CO 0.00 0.00 0.00 2.29 -0.57 0.00 0.00 175.07 176.79 2c3u n LYS 630 N 0.00 0.76 -0.35 -0.78 2.85 -1.26 -5.01 118.16 114.37 2c3u n LYS 630 Ca 0.00 -1.68 -0.03 0.00 -1.05 0.00 0.00 58.31 55.55 2c3u n LYS 630 Cb 0.00 -1.33 -0.05 0.00 -0.65 0.00 0.00 35.03 33.00 2c3u n LYS 630 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 2c3u n ALA 631 N 1.48 3.04 -2.68 0.58 0.00 -1.26 -4.85 120.51 116.82 2c3u n ALA 631 Ca 0.08 -0.50 -0.43 0.00 0.00 0.00 0.00 53.44 52.59 2c3u n ALA 631 Cb 0.64 -2.03 -0.02 0.00 0.00 0.00 0.00 19.45 18.04 2c3u n ALA 631 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.50 175.67 2c3u s GLU 632 N 1.79 4.36 1.02 0.00 4.04 -1.26 -5.04 118.70 123.60 2c3u s GLU 632 Ca 0.18 1.36 -0.12 0.00 0.04 0.00 0.00 54.97 56.44 2c3u s GLU 632 Cb 0.09 -3.58 0.20 0.00 0.02 0.00 0.00 34.13 30.86 2c3u s GLU 632 CO 0.00 -0.43 1.08 -2.14 -1.84 0.00 0.00 175.26 171.93 2c3u s PRO 633 N 2.44 0.23 0.37 -4.83 0.02 -1.26 -5.00 135.00 126.97 2c3u s PRO 633 Ca 0.46 1.05 -0.25 0.00 0.02 0.00 0.00 61.00 62.28 2c3u s PRO 633 Cb -0.17 -1.67 -0.10 0.00 0.02 0.00 0.00 34.50 32.58 2c3u s PRO 633 CO 0.13 -3.01 1.00 1.41 -0.33 0.00 0.00 177.00 176.20 2c3u s MET 634 N -4.65 4.35 0.17 5.54 -2.45 -1.26 -5.03 119.30 115.97 2c3u s MET 634 Ca 0.67 1.40 -0.20 0.00 -1.25 0.00 0.00 55.69 56.31 2c3u s MET 634 Cb -0.22 -2.61 0.07 0.00 1.25 0.00 0.00 34.83 33.31 2c3u s MET 634 CO 0.61 0.04 0.96 -2.37 1.05 0.00 0.00 175.02 175.31 2c3u n THR 635 N 0.13 0.00 -0.79 10.11 5.66 -1.26 -5.10 114.28 123.03 2c3u n THR 635 Ca 0.04 -0.53 -0.32 0.00 -3.05 0.00 0.00 64.05 60.19 2c3u n THR 635 Cb 0.50 0.72 0.16 0.00 -1.55 0.00 0.00 70.33 70.16 2c3u n THR 635 CO 0.00 0.00 0.00 0.20 -3.05 0.00 0.00 175.07 172.22 2c3u s ASN 636 N -3.27 3.05 0.09 1.09 -0.87 -1.26 -4.86 114.94 108.90 2c3u s ASN 636 Ca 0.21 2.25 -0.03 0.00 -1.57 0.00 0.00 52.86 53.72 2c3u s ASN 636 Cb -0.03 -2.57 -0.26 0.00 -0.02 0.00 0.00 41.25 38.37 2c3u s ASN 636 CO 0.05 -3.03 1.17 1.05 -2.57 0.00 0.00 177.10 173.78 2c3u h GLU 637 N -1.64 0.24 -0.45 -0.60 9.09 -2.02 0.41 114.58 119.61 2c3u h GLU 637 Ca -0.44 -0.39 -0.11 0.00 0.05 0.00 0.00 59.36 58.46 2c3u h GLU 637 Cb 1.28 0.15 -0.01 0.00 -1.65 0.00 0.00 28.75 28.51 2c3u h GLU 637 CO 0.42 1.18 -0.16 0.35 0.05 0.00 0.00 179.01 180.85 2c3u h PHE 638 N 0.07 1.02 -0.11 2.06 3.57 -1.97 0.45 116.94 122.03 2c3u h PHE 638 Ca -0.11 -0.24 -0.11 0.00 3.53 0.00 0.00 57.97 61.04 2c3u h PHE 638 Cb 1.92 -0.24 -0.01 0.00 2.79 0.00 0.00 35.95 40.40 2c3u h PHE 638 CO 0.05 1.02 -0.44 0.35 -2.23 0.00 0.00 178.31 177.07 2c3u h PHE 639 N 0.73 0.30 -0.06 0.41 3.57 -1.91 0.59 116.94 120.58 2c3u h PHE 639 Ca 0.11 -0.09 -0.11 0.00 3.53 0.00 0.00 57.97 61.41 2c3u h PHE 639 Cb 0.72 -0.07 0.01 0.00 2.79 0.00 0.00 35.95 39.40 2c3u h PHE 639 CO 0.05 0.65 -0.38 -0.22 -2.23 0.00 0.00 178.31 176.19 2c3u h LYS 640 N 0.21 0.36 0.00 1.11 3.64 -0.52 -0.93 116.57 120.44 2c3u h LYS 640 Ca 0.02 -0.31 -0.12 0.00 -1.27 0.00 0.00 60.65 58.97 2c3u h LYS 640 Cb 0.86 0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 32.73 2c3u h LYS 640 CO 0.07 0.96 -1.52 0.09 -2.27 0.00 0.00 179.45 176.78 2c3u n ASN 641 N -4.38 0.61 -0.00 4.20 3.02 0.15 -4.50 115.26 114.37 2c3u n ASN 641 Ca -0.09 0.26 -0.02 0.00 -0.03 0.00 0.00 54.58 54.70 2c3u n ASN 641 Cb 0.54 0.66 -0.01 0.00 -0.61 0.00 0.00 39.78 40.36 2c3u n ASN 641 CO 0.00 0.00 0.00 0.52 -2.62 0.00 0.00 177.26 175.16 2c3u n VAL 642 N -2.71 0.72 -0.18 2.41 0.31 0.20 -4.69 118.33 114.40 2c3u n VAL 642 Ca -0.09 0.25 -0.11 0.00 -0.01 0.00 0.00 64.34 64.39 2c3u n VAL 642 Cb 0.75 -1.55 0.01 0.00 -0.91 0.00 0.00 33.84 32.13 2c3u n VAL 642 CO 0.00 0.00 0.00 1.62 -1.32 0.00 0.00 176.83 177.13 2c3u h VAL 643 N -0.20 1.27 -0.50 2.52 3.04 -1.55 -2.86 116.25 117.97 2c3u h VAL 643 Ca 0.00 -1.25 -0.05 0.00 -1.01 0.00 0.00 66.70 64.38 2c3u h VAL 643 Cb 0.20 1.02 -0.02 0.00 -2.01 0.00 0.00 31.29 30.48 2c3u h VAL 643 CO 0.00 0.44 0.11 0.50 -1.01 0.00 0.00 177.57 177.61 2c3u h LYS 644 N 0.85 0.81 -0.80 4.17 3.64 -1.42 0.35 116.57 124.16 2c3u h LYS 644 Ca 0.13 -0.20 0.10 0.00 -1.27 0.00 0.00 60.65 59.41 2c3u h LYS 644 Cb 0.67 -0.10 -0.06 0.00 -0.41 0.00 0.00 32.23 32.33 2c3u h LYS 644 CO 0.05 0.79 0.52 -1.35 -2.27 0.00 0.00 179.45 177.19 2c3u h PRO 645 N 0.69 0.71 -0.05 1.90 0.11 -1.78 -1.12 132.00 132.46 2c3u h PRO 645 Ca 0.15 -0.04 -0.14 0.00 0.11 0.00 0.00 66.00 66.08 2c3u h PRO 645 Cb 0.36 -0.16 0.01 0.00 0.11 0.00 0.00 31.00 31.32 2c3u h PRO 645 CO 0.00 0.47 -0.52 0.82 -0.21 0.00 0.00 178.00 178.56 2c3u h ILE 646 N 0.73 1.41 0.00 4.15 2.04 -1.15 0.73 117.51 125.42 2c3u h ILE 646 Ca 0.37 -1.94 -0.00 0.00 1.00 0.00 0.00 64.86 64.29 2c3u h ILE 646 Cb 0.46 2.42 -0.00 0.00 -0.74 0.00 0.00 36.82 38.97 2c3u h ILE 646 CO -0.14 0.57 -0.00 -0.07 0.00 0.00 0.00 178.15 178.50 2c3u h LEU 647 N -0.04 0.00 -3.66 1.44 3.38 0.28 -1.49 115.31 115.21 2c3u h LEU 647 Ca -0.05 0.00 -0.20 0.00 0.09 0.00 0.00 57.88 57.72 2c3u h LEU 647 Cb 1.20 0.00 -0.12 0.00 0.09 0.00 0.00 40.66 41.83 2c3u h LEU 647 CO 0.10 0.00 0.22 0.35 0.09 0.00 0.00 178.44 179.21 2c3u n THR 648 N -3.10 2.85 -2.42 0.22 -2.24 -0.48 -4.93 114.28 104.16 2c3u n THR 648 Ca -0.02 -1.79 -0.18 0.00 -2.27 0.00 0.00 64.05 59.79 2c3u n THR 648 Cb 0.11 -0.35 -0.00 0.00 -2.10 0.00 0.00 70.33 67.99 2c3u n THR 648 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2c3u n GLN 649 N -0.33 -1.84 -0.08 -0.78 1.13 -0.56 -4.82 117.38 110.09 2c3u n GLN 649 Ca 0.39 0.85 0.04 0.00 -1.94 0.00 0.00 57.00 56.33 2c3u n GLN 649 Cb 1.31 -5.34 0.08 0.00 0.11 0.00 0.00 30.24 26.40 2c3u n GLN 649 CO 0.00 0.00 0.00 1.04 -1.44 0.00 0.00 177.06 176.66 2c3u n GLN 650 N -2.83 2.13 -0.34 -1.09 1.13 0.24 -4.71 117.38 111.92 2c3u n GLN 650 Ca -0.19 -1.61 0.18 0.00 -1.94 0.00 0.00 57.00 53.44 2c3u n GLN 650 Cb 0.65 -1.17 0.39 0.00 0.11 0.00 0.00 30.24 30.23 2c3u n GLN 650 CO 0.00 0.00 0.00 0.78 -1.44 0.00 0.00 177.06 176.40 2c3u h GLY 651 N 1.36 1.89 1.44 1.08 0.00 -1.75 0.63 103.07 107.73 2c3u h GLY 651 Ca 0.00 -0.28 0.02 0.00 0.00 0.00 0.00 47.33 47.08 2c3u h GLY 651 CO 0.00 -0.30 0.26 -0.55 0.00 0.00 0.00 176.54 175.95 2c3u h ASP 652 N 0.50 0.00 0.37 0.19 3.32 -1.92 -0.67 116.42 118.22 2c3u h ASP 652 Ca 0.65 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.70 2c3u h ASP 652 Cb 1.30 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.85 2c3u h ASP 652 CO -0.51 0.00 -0.34 0.29 -1.72 0.00 0.00 179.24 176.95 2c3u n LYS 653 N -3.17 0.45 -2.40 3.56 5.02 0.21 -4.85 118.16 116.99 2c3u n LYS 653 Ca -0.01 -0.26 -0.42 0.00 -2.02 0.00 0.00 58.31 55.61 2c3u n LYS 653 Cb 0.34 -1.49 -0.03 0.00 -0.02 0.00 0.00 35.03 33.82 2c3u n LYS 653 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2c3u s LEU 654 N -2.72 4.31 0.69 -0.35 1.02 -0.26 -4.97 118.68 116.39 2c3u s LEU 654 Ca 0.19 1.93 -0.11 0.00 0.02 0.00 0.00 54.13 56.15 2c3u s LEU 654 Cb 0.19 -3.56 0.00 0.00 0.02 0.00 0.00 46.19 42.83 2c3u s LEU 654 CO 0.59 -0.59 1.06 -2.16 0.02 0.00 0.00 176.35 175.28 2c3u s PRO 655 N 2.00 3.02 0.51 1.29 0.04 -1.26 -4.70 135.00 135.89 2c3u s PRO 655 Ca 0.58 0.71 0.35 0.00 0.04 0.00 0.00 61.00 62.67 2c3u s PRO 655 Cb -0.27 -2.02 1.82 0.00 0.04 0.00 0.00 34.50 34.07 2c3u s PRO 655 CO 0.25 -0.98 2.05 -0.39 0.04 0.00 0.00 177.00 177.97 2c3u h VAL 656 N -0.62 0.00 0.00 -0.36 -1.51 -1.76 -0.66 116.25 111.34 2c3u h VAL 656 Ca -0.45 -0.06 0.00 0.00 -1.23 0.00 0.00 66.70 64.96 2c3u h VAL 656 Cb 1.22 0.87 0.00 0.00 -2.13 0.00 0.00 31.29 31.25 2c3u h VAL 656 CO 0.61 0.00 0.00 0.77 -1.23 0.00 0.00 177.57 177.72 2c3u h SER 657 N 0.00 0.00 0.95 4.19 4.64 -1.92 -2.54 113.55 118.86 2c3u h SER 657 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2c3u h SER 657 Cb 0.07 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.16 2c3u h SER 657 CO 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 175.96 2c3u n ALA 658 N -1.85 2.28 -2.61 5.18 0.00 -0.25 -4.88 120.51 118.38 2c3u n ALA 658 Ca 0.01 -0.10 -0.25 0.00 0.00 0.00 0.00 53.44 53.11 2c3u n ALA 658 Cb 0.22 -1.45 -0.08 0.00 0.00 0.00 0.00 19.45 18.14 2c3u n ALA 658 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 2c3u s PHE 659 N -2.99 2.66 0.06 0.00 0.40 -0.96 -5.06 117.98 112.10 2c3u s PHE 659 Ca 0.14 -0.22 -0.30 0.00 -0.60 0.00 0.00 56.93 55.95 2c3u s PHE 659 Cb 0.18 -1.23 -0.05 0.00 0.51 0.00 0.00 43.02 42.43 2c3u s PHE 659 CO 0.51 0.58 1.04 -1.21 0.70 0.00 0.00 175.22 176.83 2c3u s GLU 660 N -3.28 4.57 0.38 0.44 0.41 -1.26 -4.94 118.70 115.01 2c3u s GLU 660 Ca 0.29 1.54 0.13 0.00 -0.41 0.00 0.00 54.97 56.52 2c3u s GLU 660 Cb -0.07 -3.39 0.96 0.00 -1.78 0.00 0.00 34.13 29.84 2c3u s GLU 660 CO 0.18 -0.01 1.83 0.00 -0.49 0.00 0.00 175.26 176.76 2c3u h ALA 661 N 6.29 2.02 -0.37 5.21 0.00 -1.95 -0.18 119.26 130.28 2c3u h ALA 661 Ca -0.42 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.53 2c3u h ALA 661 Cb 1.22 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.96 2c3u h ALA 661 CO 0.75 -0.34 0.00 -0.40 0.00 0.00 0.00 179.25 179.26 2c3u n ASP 662 N -4.59 3.33 0.00 0.00 3.85 -1.26 -4.93 116.55 112.95 2c3u n ASP 662 Ca 0.21 -2.37 0.00 0.00 -0.71 0.00 0.00 54.79 51.91 2c3u n ASP 662 Cb 0.66 -0.51 0.00 0.00 -1.35 0.00 0.00 41.12 39.92 2c3u n ASP 662 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 2c3u n GLY 663 N 0.63 0.37 3.77 6.12 0.00 -0.08 -4.83 105.19 111.16 2c3u n GLY 663 Ca 0.16 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.84 2c3u n GLY 663 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2c3u s ARG 664 N -0.75 2.86 0.11 1.61 1.70 -1.26 -4.90 118.95 118.32 2c3u s ARG 664 Ca 0.00 1.48 0.07 0.00 -0.47 0.00 0.00 55.73 56.81 2c3u s ARG 664 Cb 0.00 -1.95 -0.04 0.00 -0.57 0.00 0.00 34.95 32.39 2c3u s ARG 664 CO 0.00 -1.22 -0.18 -0.06 -1.08 0.00 0.00 175.30 172.76 2c3u s PHE 665 N -2.17 1.63 0.55 5.89 0.40 -1.26 -4.61 117.98 118.41 2c3u s PHE 665 Ca 0.69 -0.46 -0.15 0.00 -0.60 0.00 0.00 56.93 56.41 2c3u s PHE 665 Cb -0.22 -0.87 -0.07 0.00 0.51 0.00 0.00 43.02 42.37 2c3u s PHE 665 CO 0.39 0.20 1.00 -1.25 0.70 0.00 0.00 175.22 176.26 2c3u s PRO 666 N -2.21 3.82 0.66 0.24 0.04 -1.26 -5.05 135.00 131.24 2c3u s PRO 666 Ca 0.08 0.89 -0.12 0.00 0.04 0.00 0.00 61.00 61.89 2c3u s PRO 666 Cb -0.08 -2.12 -0.01 0.00 0.04 0.00 0.00 34.50 32.33 2c3u s PRO 666 CO 0.04 -0.38 1.05 -0.51 0.04 0.00 0.00 177.00 177.24 2c3u s LEU 667 N -4.43 3.22 -1.58 -3.56 1.02 -1.26 -4.43 118.68 107.66 2c3u s LEU 667 Ca 0.58 1.59 0.00 0.00 0.02 0.00 0.00 54.13 56.32 2c3u s LEU 667 Cb -0.10 -4.49 0.00 0.00 0.02 0.00 0.00 46.19 41.61 2c3u s LEU 667 CO 0.39 -1.23 0.00 0.61 0.02 0.00 0.00 176.35 176.14 2c3u n GLY 668 N -2.03 0.82 0.00 -3.19 0.00 0.87 -4.88 105.19 96.77 2c3u n GLY 668 Ca 0.07 -0.23 0.07 0.00 0.00 0.00 0.00 46.02 45.93 2c3u n GLY 668 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2c3u n THR 669 N -3.15 0.90 0.68 2.61 -2.24 -1.06 -2.47 114.28 109.55 2c3u n THR 669 Ca -0.17 0.23 0.13 0.00 -2.27 0.00 0.00 64.05 61.96 2c3u n THR 669 Cb 0.58 -0.96 0.45 0.00 -2.10 0.00 0.00 70.33 68.30 2c3u n THR 669 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 2c3u n SER 670 N -1.48 0.63 -0.09 3.42 3.41 -1.12 -3.57 113.62 114.83 2c3u n SER 670 Ca 0.04 0.57 0.16 0.00 -0.26 0.00 0.00 58.87 59.38 2c3u n SER 670 Cb 0.17 -0.73 0.57 0.00 -0.26 0.00 0.00 64.21 63.96 2c3u n SER 670 CO 0.00 0.00 0.00 1.56 -0.16 0.00 0.00 175.04 176.44 2c3u h GLN 671 N 0.00 0.27 -0.31 4.33 1.08 -1.77 -2.54 115.11 116.17 2c3u h GLN 671 Ca 0.00 -0.02 0.00 0.00 -1.45 0.00 0.00 58.65 57.18 2c3u h GLN 671 Cb 0.65 -0.06 0.00 0.00 -0.05 0.00 0.00 27.48 28.02 2c3u h GLN 671 CO 0.00 0.18 0.00 1.19 -0.95 0.00 0.00 178.83 179.25 2c3u n PHE 672 N -4.44 0.39 -0.10 2.96 3.01 -1.23 -4.51 117.46 113.53 2c3u n PHE 672 Ca 0.11 -0.22 -0.12 0.00 1.01 0.00 0.00 57.45 58.24 2c3u n PHE 672 Cb 0.51 -0.00 -0.04 0.00 -0.01 0.00 0.00 39.48 39.94 2c3u n PHE 672 CO 0.00 0.00 0.00 0.93 1.01 0.00 0.00 176.76 178.70 2c3u h GLU 673 N 4.08 0.63 -6.02 -1.08 5.08 -1.63 -3.47 114.58 112.17 2c3u h GLU 673 Ca 0.00 -0.28 -0.25 0.00 -1.00 0.00 0.00 59.36 57.83 2c3u h GLU 673 Cb 0.92 -0.02 -0.00 0.00 0.50 0.00 0.00 28.75 30.15 2c3u h GLU 673 CO 0.00 0.86 -0.55 1.63 -1.00 0.00 0.00 179.01 179.96 2c3u n LYS 674 N -4.39 -0.75 0.06 2.33 4.76 -1.26 -4.82 118.16 114.09 2c3u n LYS 674 Ca -0.03 0.30 -0.02 0.00 -2.87 0.00 0.00 58.31 55.69 2c3u n LYS 674 Cb 0.38 -1.05 0.23 0.00 -1.84 0.00 0.00 35.03 32.75 2c3u n LYS 674 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2c3u h ARG 675 N 0.35 0.36 -5.90 1.97 3.08 -1.92 -3.48 114.38 108.84 2c3u h ARG 675 Ca -0.32 -0.14 -0.37 0.00 0.07 0.00 0.00 59.98 59.21 2c3u h ARG 675 Cb 0.69 -0.02 0.11 0.00 0.08 0.00 0.00 29.97 30.83 2c3u h ARG 675 CO 0.19 0.63 -0.83 0.41 -1.07 0.00 0.00 179.97 179.30 2c3u n GLY 676 N -0.35 -0.53 0.68 0.04 0.00 0.36 -4.93 105.19 100.47 2c3u n GLY 676 Ca -0.01 0.23 0.09 0.00 0.00 0.00 0.00 46.02 46.34 2c3u n GLY 676 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2c3u n VAL 677 N -4.06 0.00 -2.37 1.61 0.24 -1.26 -4.98 118.33 107.50 2c3u n VAL 677 Ca -0.24 -0.47 -0.40 0.00 -2.04 0.00 0.00 64.34 61.20 2c3u n VAL 677 Cb 0.66 1.36 -0.03 0.00 -1.47 0.00 0.00 33.84 34.35 2c3u n VAL 677 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2c3u s ALA 678 N -1.65 3.34 -0.08 2.33 0.00 -1.25 -4.94 121.76 119.51 2c3u s ALA 678 Ca 0.20 0.96 -0.25 0.00 0.00 0.00 0.00 51.96 52.88 2c3u s ALA 678 Cb 0.15 -3.36 -0.27 0.00 0.00 0.00 0.00 23.12 19.64 2c3u s ALA 678 CO 0.27 -0.34 0.89 0.82 0.00 0.00 0.00 175.76 177.41 2c3u h ILE 679 N 2.82 1.62 -4.17 0.00 5.03 -1.90 -3.42 117.51 117.49 2c3u h ILE 679 Ca -0.48 -2.31 -0.57 0.00 -0.12 0.00 0.00 64.86 61.39 2c3u h ILE 679 Cb 1.22 3.14 -0.30 0.00 -3.03 0.00 0.00 36.82 37.85 2c3u h ILE 679 CO 0.65 0.63 -0.84 0.20 -0.68 0.00 0.00 178.15 178.11 2c3u s ASN 680 N -6.54 2.19 0.15 1.72 0.01 -1.26 -1.28 114.94 109.92 2c3u s ASN 680 Ca -0.16 -0.35 0.09 0.00 -0.71 0.00 0.00 52.86 51.73 2c3u s ASN 680 Cb -0.00 -0.40 -0.04 0.00 0.41 0.00 0.00 41.25 41.22 2c3u s ASN 680 CO 0.76 0.20 -0.20 0.68 -1.51 0.00 0.00 177.10 177.03 2c3u s VAL 681 N -0.24 1.87 0.46 1.60 -7.23 0.82 -3.90 120.40 113.79 2c3u s VAL 681 Ca 0.02 -1.81 -0.23 0.00 -1.81 0.00 0.00 61.98 58.15 2c3u s VAL 681 Cb -0.09 -1.80 -0.07 0.00 0.56 0.00 0.00 36.38 34.98 2c3u s VAL 681 CO 0.01 -0.19 1.18 -2.16 -0.31 0.00 0.00 175.10 173.62 2c3u s PRO 682 N -2.48 3.72 -0.19 4.82 0.04 -1.26 -0.98 135.00 138.67 2c3u s PRO 682 Ca 0.13 1.82 0.01 0.00 0.04 0.00 0.00 61.00 63.00 2c3u s PRO 682 Cb -0.07 -2.41 0.02 0.00 0.04 0.00 0.00 34.50 32.08 2c3u s PRO 682 CO 0.06 -0.60 -0.19 -1.14 0.04 0.00 0.00 177.00 175.18 2c3u s GLN 683 N -2.70 2.93 0.24 4.56 0.74 0.14 -4.87 119.66 120.71 2c3u s GLN 683 Ca 0.64 -0.87 -0.30 0.00 0.05 0.00 0.00 55.36 54.88 2c3u s GLN 683 Cb -0.30 -2.60 -0.09 0.00 1.10 0.00 0.00 33.01 31.12 2c3u s GLN 683 CO 0.36 -0.24 1.23 -0.46 -0.55 0.00 0.00 175.29 175.63 2c3u s TRP 684 N 1.27 3.33 -0.61 1.67 -0.00 -1.26 -1.75 118.94 121.59 2c3u s TRP 684 Ca 0.04 1.43 0.04 0.00 -0.00 0.00 0.00 56.10 57.61 2c3u s TRP 684 Cb -0.14 -3.50 0.15 0.00 -0.00 0.00 0.00 33.47 29.99 2c3u s TRP 684 CO -0.12 -1.40 0.40 0.08 -0.00 0.00 0.00 176.95 175.91 2c3u s VAL 685 N -0.52 2.57 0.18 5.86 1.01 0.40 -4.96 120.40 124.94 2c3u s VAL 685 Ca 0.51 -3.78 0.15 0.00 0.00 0.00 0.00 61.98 58.86 2c3u s VAL 685 Cb -0.35 -2.73 0.15 0.00 0.00 0.00 0.00 36.38 33.46 2c3u s VAL 685 CO 0.42 -0.94 1.39 1.55 0.00 0.00 0.00 175.10 177.51 2c3u h PRO 686 N 5.84 0.00 0.00 2.72 0.13 -1.94 -1.55 132.00 137.20 2c3u h PRO 686 Ca 0.07 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 65.15 2c3u h PRO 686 Cb 0.82 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.94 2c3u h PRO 686 CO 0.68 0.00 -0.23 0.93 -0.23 0.00 0.00 178.00 179.15 2c3u h GLU 687 N 0.00 0.00 -0.01 0.86 3.07 -1.94 -3.25 114.58 113.32 2c3u h GLU 687 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 2c3u h GLU 687 Cb 0.70 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.61 2c3u h GLU 687 CO 0.00 0.23 -0.14 0.09 -1.40 0.00 0.00 179.01 177.79 2c3u n ASN 688 N -3.31 1.24 -4.70 1.42 5.03 -0.59 -5.02 115.26 109.34 2c3u n ASN 688 Ca 0.01 -1.12 -0.42 0.00 0.87 0.00 0.00 54.58 53.92 2c3u n ASN 688 Cb 0.48 0.37 -0.03 0.00 -1.02 0.00 0.00 39.78 39.58 2c3u n ASN 688 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 2c3u n ILE 690 N 4.44 0.83 -3.66 0.00 -5.35 -1.26 -4.97 119.36 109.39 2c3u n ILE 690 Ca 0.12 -0.78 -0.29 0.00 -0.27 0.00 0.00 62.75 61.52 2c3u n ILE 690 Cb 0.45 0.36 0.04 0.00 -1.74 0.00 0.00 39.64 38.75 2c3u n ILE 690 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2c3u n GLN 691 N 1.16 -1.59 -0.05 6.28 6.02 -1.26 -4.93 117.38 123.00 2c3u n GLN 691 Ca 0.19 0.50 -0.00 0.00 -0.01 0.00 0.00 57.00 57.68 2c3u n GLN 691 Cb 0.51 -4.35 -0.15 0.00 1.02 0.00 0.00 30.24 27.26 2c3u n GLN 691 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2c3u n ASN 693 N -2.47 -3.72 0.02 0.00 5.03 -1.26 -4.42 115.26 108.45 2c3u n ASN 693 Ca -0.18 0.11 -0.10 0.00 0.87 0.00 0.00 54.58 55.28 2c3u n ASN 693 Cb 0.84 -1.61 0.04 0.00 -1.02 0.00 0.00 39.78 38.03 2c3u n ASN 693 CO 0.00 0.00 0.00 1.56 -1.83 0.00 0.00 177.26 176.99 2c3u h GLN 694 N 0.15 0.52 -0.20 3.52 4.20 -1.95 -2.96 115.11 118.40 2c3u h GLN 694 Ca -0.09 -0.35 0.02 0.00 0.06 0.00 0.00 58.65 58.29 2c3u h GLN 694 Cb 0.35 0.05 -0.02 0.00 0.30 0.00 0.00 27.48 28.16 2c3u h GLN 694 CO 0.14 0.97 0.05 0.00 -0.67 0.00 0.00 178.83 179.32 2c3u h ALA 696 N 1.14 1.13 -0.74 0.00 0.00 -1.84 -2.64 119.26 116.30 2c3u h ALA 696 Ca 0.09 -0.30 -0.03 0.00 0.00 0.00 0.00 54.91 54.67 2c3u h ALA 696 Cb 0.07 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.68 2c3u h ALA 696 CO -0.11 0.54 0.36 0.35 0.00 0.00 0.00 179.25 180.40 2c3u h PHE 697 N 0.54 1.05 0.00 0.00 3.57 -1.29 -3.15 116.94 117.66 2c3u h PHE 697 Ca 0.09 -0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.55 2c3u h PHE 697 Cb 0.56 -0.33 0.00 0.00 2.79 0.00 0.00 35.95 38.97 2c3u h PHE 697 CO 0.02 0.76 -0.32 0.28 -2.23 0.00 0.00 178.31 176.82 2c3u h VAL 698 N 1.05 0.00 -2.61 1.41 2.07 -1.09 -3.47 116.25 113.62 2c3u h VAL 698 Ca 0.26 -0.82 -0.53 0.00 0.82 0.00 0.00 66.70 66.43 2c3u h VAL 698 Cb 0.10 1.64 0.03 0.00 -1.52 0.00 0.00 31.29 31.54 2c3u h VAL 698 CO -0.03 0.00 1.06 0.00 0.02 0.00 0.00 177.57 178.62 2c3u n PRO 700 N 5.86 0.66 0.00 0.00 -0.02 -1.26 -3.62 135.00 136.61 2c3u n PRO 700 Ca 0.17 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.65 2c3u n PRO 700 Cb 0.40 -1.39 0.00 0.00 -0.02 0.00 0.00 33.50 32.49 2c3u n PRO 700 CO 0.00 0.00 0.00 0.72 1.98 0.00 0.00 175.50 178.20 2c3u n HIS 701 N -0.89 0.00 -1.87 6.00 8.25 -1.26 -4.63 115.22 120.82 2c3u n HIS 701 Ca 0.12 0.00 -0.11 0.00 -0.26 0.00 0.00 57.72 57.47 2c3u n HIS 701 Cb 0.06 0.00 -0.02 0.00 1.12 0.00 0.00 29.99 31.14 2c3u n HIS 701 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 2c3u n SER 702 N 0.00 -3.93 0.00 0.41 2.88 -1.24 -1.70 113.62 110.04 2c3u n SER 702 Ca 0.00 0.10 0.14 0.00 -1.33 0.00 0.00 58.87 57.78 2c3u n SER 702 Cb 0.34 -2.87 0.85 0.00 -0.75 0.00 0.00 64.21 61.78 2c3u n SER 702 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2c3u n ALA 703 N -0.48 2.58 -4.02 -1.46 0.00 -1.26 -4.64 120.51 111.23 2c3u n ALA 703 Ca -0.13 -0.18 -0.33 0.00 0.00 0.00 0.00 53.44 52.81 2c3u n ALA 703 Cb 0.51 -1.47 -0.15 0.00 0.00 0.00 0.00 19.45 18.34 2c3u n ALA 703 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 2c3u s ILE 704 N -2.00 2.27 -0.42 0.00 1.01 -1.26 -0.46 121.20 120.34 2c3u s ILE 704 Ca 0.43 -1.22 -0.09 0.00 0.00 0.00 0.00 60.65 59.77 2c3u s ILE 704 Cb 0.20 -2.15 0.07 0.00 0.01 0.00 0.00 42.46 40.60 2c3u s ILE 704 CO 0.33 0.25 0.26 -0.22 0.00 0.00 0.00 174.94 175.56 2c3u s LEU 705 N 1.23 5.12 0.34 2.97 2.96 0.07 -4.72 118.68 126.64 2c3u s LEU 705 Ca -0.01 -1.47 -0.28 0.00 -0.22 0.00 0.00 54.13 52.15 2c3u s LEU 705 Cb -0.16 -1.99 -0.10 0.00 0.50 0.00 0.00 46.19 44.44 2c3u s LEU 705 CO -0.08 -0.53 1.26 -2.84 -1.32 0.00 0.00 176.35 172.84 2c3u s PRO 706 N 1.43 4.34 -0.09 0.98 0.02 -1.26 -1.59 135.00 138.83 2c3u s PRO 706 Ca 0.03 2.11 0.03 0.00 0.02 0.00 0.00 61.00 63.20 2c3u s PRO 706 Cb -0.23 -3.03 0.00 0.00 0.02 0.00 0.00 34.50 31.27 2c3u s PRO 706 CO 0.02 -0.16 -0.20 0.08 -0.33 0.00 0.00 177.00 176.41 2c3u s VAL 707 N -1.18 1.78 -0.30 3.83 1.01 0.26 -4.91 120.40 120.89 2c3u s VAL 707 Ca 0.50 -0.85 -0.01 0.00 0.00 0.00 0.00 61.98 61.61 2c3u s VAL 707 Cb -0.38 -1.56 0.10 0.00 0.00 0.00 0.00 36.38 34.55 2c3u s VAL 707 CO 0.49 0.50 0.09 -0.22 0.00 0.00 0.00 175.10 175.96 2c3u s LEU 708 N 0.45 2.09 0.17 3.92 2.96 -1.26 -0.96 118.68 126.05 2c3u s LEU 708 Ca -0.17 -1.56 0.08 0.00 -0.22 0.00 0.00 54.13 52.26 2c3u s LEU 708 Cb -0.17 -0.83 -0.04 0.00 0.50 0.00 0.00 46.19 45.65 2c3u s LEU 708 CO 0.07 -0.41 -0.18 0.00 -1.32 0.00 0.00 176.35 174.52 2c3u s ALA 709 N 1.65 2.01 -0.21 5.97 0.00 -0.59 -4.68 121.76 125.91 2c3u s ALA 709 Ca 0.09 -1.50 -0.11 0.00 0.00 0.00 0.00 51.96 50.44 2c3u s ALA 709 Cb -0.17 -0.18 -0.05 0.00 0.00 0.00 0.00 23.12 22.72 2c3u s ALA 709 CO -0.24 0.22 0.16 -1.59 0.00 0.00 0.00 175.76 174.30 2c3u s LYS 710 N -2.87 4.15 0.01 0.00 -2.85 -1.26 0.92 119.74 117.84 2c3u s LYS 710 Ca 0.16 -0.21 0.01 0.00 -1.00 0.00 0.00 55.97 54.93 2c3u s LYS 710 Cb -0.05 -3.47 0.04 0.00 -2.06 0.00 0.00 37.83 32.29 2c3u s LYS 710 CO 0.07 0.19 0.04 -0.85 0.10 0.00 0.00 175.35 174.90 2c3u n GLU 711 N 3.85 -0.00 0.14 1.78 0.28 -1.26 0.90 120.64 126.32 2c3u n GLU 711 Ca -0.15 0.03 0.04 0.00 -0.16 0.00 0.00 57.16 56.92 2c3u n GLU 711 Cb 0.52 -0.06 0.47 0.00 1.43 0.00 0.00 31.44 33.79 2c3u n GLU 711 CO 0.00 0.00 0.00 0.93 -0.16 0.00 0.00 177.13 177.90 2c3u h GLU 712 N 0.00 0.22 0.00 3.44 4.39 -1.97 -2.67 114.58 117.99 2c3u h GLU 712 Ca 0.02 -0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.69 2c3u h GLU 712 Cb 0.07 -0.04 0.00 0.00 -0.10 0.00 0.00 28.75 28.68 2c3u h GLU 712 CO -0.01 0.27 0.00 0.39 -1.16 0.00 0.00 179.01 178.50 2c3u n GLU 713 N -4.38 0.17 -0.24 2.33 1.02 0.26 -3.41 120.64 116.39 2c3u n GLU 713 Ca -0.01 0.19 0.12 0.00 -0.02 0.00 0.00 57.16 57.44 2c3u n GLU 713 Cb 0.18 -1.72 0.25 0.00 -0.02 0.00 0.00 31.44 30.13 2c3u n GLU 713 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 2c3u n LEU 714 N -2.02 3.62 -0.21 -4.62 4.32 -1.01 -4.65 117.00 112.44 2c3u n LEU 714 Ca 0.05 -1.65 -0.10 0.00 -0.02 0.00 0.00 56.01 54.30 2c3u n LEU 714 Cb 0.37 -0.32 -0.06 0.00 -1.62 0.00 0.00 43.42 41.79 2c3u n LEU 714 CO 0.27 0.82 0.54 0.58 -1.22 0.00 0.00 177.39 178.38 2c3u h VAL 715 N 4.44 0.05 -0.63 4.08 2.07 -1.62 -1.05 116.25 123.59 2c3u h VAL 715 Ca 0.00 0.00 -0.18 0.00 0.82 0.00 0.00 66.70 67.34 2c3u h VAL 715 Cb 0.99 0.05 -0.11 0.00 -1.52 0.00 0.00 31.29 30.71 2c3u h VAL 715 CO 0.00 0.00 0.23 0.61 0.02 0.00 0.00 177.57 178.43 2c3u n GLY 716 N -1.38 3.30 3.77 2.17 0.00 -1.26 -4.97 105.19 106.81 2c3u n GLY 716 Ca 0.00 -0.83 -0.39 0.00 0.00 0.00 0.00 46.02 44.80 2c3u n GLY 716 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2c3u s ALA 717 N -2.59 3.29 0.94 4.61 0.00 -0.40 -4.98 121.76 122.64 2c3u s ALA 717 Ca 0.46 0.96 -0.14 0.00 0.00 0.00 0.00 51.96 53.25 2c3u s ALA 717 Cb 0.37 -3.37 -0.02 0.00 0.00 0.00 0.00 23.12 20.11 2c3u s ALA 717 CO 0.12 -0.38 0.12 -2.30 0.00 0.00 0.00 175.76 173.31 2c3u n PRO 718 N 0.57 -0.17 -0.31 0.00 -0.02 -1.26 -4.84 135.00 128.97 2c3u n PRO 718 Ca 0.02 -0.02 0.02 0.00 -2.02 0.00 0.00 63.50 61.50 2c3u n PRO 718 Cb 0.45 -1.64 0.21 0.00 -0.02 0.00 0.00 33.50 32.50 2c3u n PRO 718 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2c3u h ALA 719 N -1.32 1.45 -0.45 3.55 0.00 -2.00 -2.58 119.26 117.92 2c3u h ALA 719 Ca -0.44 -0.04 -0.18 0.00 0.00 0.00 0.00 54.91 54.26 2c3u h ALA 719 Cb 1.29 -0.30 -0.11 0.00 0.00 0.00 0.00 17.79 18.67 2c3u h ALA 719 CO 0.32 0.44 0.23 0.27 0.00 0.00 0.00 179.25 180.51 2c3u n ASN 720 N -4.46 3.43 -3.41 0.00 2.04 -1.26 -4.58 115.26 107.02 2c3u n ASN 720 Ca 0.13 -2.72 -0.39 0.00 -0.44 0.00 0.00 54.58 51.15 2c3u n ASN 720 Cb 0.14 -0.65 -0.00 0.00 -2.53 0.00 0.00 39.78 36.73 2c3u n ASN 720 CO 0.00 0.00 0.00 0.33 -0.44 0.00 0.00 177.26 177.15 2c3u n PHE 721 N -0.13 2.54 -1.67 -2.53 7.35 -0.98 -4.98 117.46 117.06 2c3u n PHE 721 Ca 0.26 -2.70 -0.45 0.00 -0.76 0.00 0.00 57.45 53.80 2c3u n PHE 721 Cb 1.00 -1.69 -0.03 0.00 0.35 0.00 0.00 39.48 39.11 2c3u n PHE 721 CO 0.00 0.00 0.00 2.41 -0.76 0.00 0.00 176.76 178.41 2c3u n THR 722 N 1.35 0.81 -3.71 -2.13 -1.04 -1.26 -4.99 114.28 103.30 2c3u n THR 722 Ca 0.59 -0.20 -0.15 0.00 -2.04 0.00 0.00 64.05 62.25 2c3u n THR 722 Cb 0.27 -1.47 -0.15 0.00 -1.82 0.00 0.00 70.33 67.17 2c3u n THR 722 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2c3u s ALA 723 N 0.08 -0.24 0.83 2.41 0.00 -1.26 -4.77 121.76 118.81 2c3u s ALA 723 Ca 0.70 0.65 -0.12 0.00 0.00 0.00 0.00 51.96 53.19 2c3u s ALA 723 Cb -0.66 -0.63 0.09 0.00 0.00 0.00 0.00 23.12 21.92 2c3u s ALA 723 CO 0.48 -0.34 1.11 -0.51 0.00 0.00 0.00 175.76 176.50 2c3u s LEU 724 N 1.67 2.44 -0.16 0.00 1.43 0.54 -4.68 118.68 119.92 2c3u s LEU 724 Ca -0.04 1.21 -0.25 0.00 -1.03 0.00 0.00 54.13 54.02 2c3u s LEU 724 Cb -0.12 -3.74 -0.02 0.00 0.03 0.00 0.00 46.19 42.34 2c3u s LEU 724 CO -0.06 -2.13 0.82 -1.83 0.23 0.00 0.00 176.35 173.38 2c3u s GLU 725 N -5.19 4.31 -0.03 1.70 -1.05 -1.26 0.21 118.70 117.38 2c3u s GLU 725 Ca 0.62 1.00 -0.37 0.00 -0.15 0.00 0.00 54.97 56.07 2c3u s GLU 725 Cb -0.14 -3.56 -0.15 0.00 -0.44 0.00 0.00 34.13 29.83 2c3u s GLU 725 CO 0.54 -0.30 1.59 0.00 0.95 0.00 0.00 175.26 178.04 2c3u n ALA 726 N 5.11 -0.01 -1.98 -0.84 0.00 0.04 -4.78 120.51 118.05 2c3u n ALA 726 Ca 0.04 0.43 -0.31 0.00 0.00 0.00 0.00 53.44 53.59 2c3u n ALA 726 Cb 0.49 -2.24 -0.03 0.00 0.00 0.00 0.00 19.45 17.67 2c3u n ALA 726 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 2c3u s LYS 727 N 2.03 3.88 0.00 0.00 1.02 -1.26 -4.63 119.74 120.78 2c3u s LYS 727 Ca 0.89 0.76 0.00 0.00 0.02 0.00 0.00 55.97 57.64 2c3u s LYS 727 Cb -0.89 -2.24 0.00 0.00 -0.52 0.00 0.00 37.83 34.17 2c3u s LYS 727 CO 0.51 -0.17 0.00 0.41 -0.92 0.00 0.00 175.35 175.18 2c3u n GLY 728 N -1.44 2.32 0.32 -3.33 0.00 -1.26 -4.52 105.19 97.28 2c3u n GLY 728 Ca 0.05 -1.43 0.14 0.00 0.00 0.00 0.00 46.02 44.78 2c3u n GLY 728 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 2c3u h LYS 729 N 0.00 0.00 0.00 1.61 3.11 -2.01 -1.64 116.57 117.64 2c3u h LYS 729 Ca 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.84 2c3u h LYS 729 Cb 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 31.23 2c3u h LYS 729 CO 0.00 0.00 -0.34 0.93 -2.81 0.00 0.00 179.45 177.23 2c3u h GLU 730 N 0.00 0.00 -2.26 1.90 3.07 -1.96 -3.36 114.58 111.98 2c3u h GLU 730 Ca 0.11 0.00 -0.60 0.00 -0.50 0.00 0.00 59.36 58.37 2c3u h GLU 730 Cb 0.46 0.00 -0.41 0.00 -0.84 0.00 0.00 28.75 27.96 2c3u h GLU 730 CO -0.00 0.00 -0.56 1.28 -1.40 0.00 0.00 179.01 178.33 2c3u n LEU 731 N -2.24 4.30 0.03 1.33 4.77 -0.62 -4.94 117.00 119.63 2c3u n LEU 731 Ca 0.04 -5.58 -0.02 0.00 -0.03 0.00 0.00 56.01 50.43 2c3u n LEU 731 Cb 0.44 -0.63 -0.01 0.00 -2.33 0.00 0.00 43.42 40.90 2c3u n LEU 731 CO 0.34 2.22 0.17 0.50 -1.33 0.00 0.00 177.39 179.29 2c3u h LYS 732 N 3.54 -0.10 0.00 3.23 3.64 -1.72 -3.35 116.57 121.81 2c3u h LYS 732 Ca 0.17 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.56 2c3u h LYS 732 Cb 0.56 0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.41 2c3u h LYS 732 CO 0.84 -0.06 0.00 0.41 -2.27 0.00 0.00 179.45 178.37 2c3u n GLY 733 N 0.92 -0.74 3.86 5.01 0.00 -1.26 -4.65 105.19 108.33 2c3u n GLY 733 Ca -0.01 -0.11 -0.31 0.00 0.00 0.00 0.00 46.02 45.59 2c3u n GLY 733 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2c3u s TYR 734 N -2.00 3.44 -0.01 1.61 1.51 -1.26 -4.43 117.35 116.22 2c3u s TYR 734 Ca 0.27 1.19 0.01 0.00 -1.01 0.00 0.00 57.07 57.53 2c3u s TYR 734 Cb 0.12 -2.55 -0.04 0.00 -0.11 0.00 0.00 41.96 39.39 2c3u s TYR 734 CO 0.20 -0.13 -0.00 0.15 -1.11 0.00 0.00 175.55 174.66 2c3u s LYS 735 N -3.72 2.81 0.04 -0.62 -0.14 0.26 -0.78 119.74 117.58 2c3u s LYS 735 Ca 0.54 -0.58 0.08 0.00 -1.36 0.00 0.00 55.97 54.64 2c3u s LYS 735 Cb -0.10 -2.68 -0.03 0.00 -1.68 0.00 0.00 37.83 33.34 2c3u s LYS 735 CO 0.28 0.64 -0.20 0.12 -0.76 0.00 0.00 175.35 175.42 2c3u s PHE 736 N -1.05 2.49 -0.24 3.18 5.36 0.13 -1.54 117.98 126.31 2c3u s PHE 736 Ca 0.19 -0.30 -0.20 0.00 -0.96 0.00 0.00 56.93 55.65 2c3u s PHE 736 Cb -0.11 -1.45 0.06 0.00 -0.34 0.00 0.00 43.02 41.18 2c3u s PHE 736 CO 0.09 0.21 0.63 0.50 -1.46 0.00 0.00 175.22 175.19 2c3u s ARG 737 N -1.35 0.71 -0.58 10.12 3.52 -0.14 -0.34 118.95 130.90 2c3u s ARG 737 Ca 0.14 0.94 -0.15 0.00 -0.13 0.00 0.00 55.73 56.52 2c3u s ARG 737 Cb -0.10 0.30 0.14 0.00 -1.56 0.00 0.00 34.95 33.73 2c3u s ARG 737 CO 0.04 -0.10 0.53 0.42 -0.81 0.00 0.00 175.30 175.37 2c3u s ILE 738 N 0.64 5.17 -0.12 4.11 -1.09 -1.26 0.91 121.20 129.55 2c3u s ILE 738 Ca -0.02 -1.68 -0.22 0.00 -2.23 0.00 0.00 60.65 56.50 2c3u s ILE 738 Cb -0.05 -4.30 -0.03 0.00 -1.58 0.00 0.00 42.46 36.50 2c3u s ILE 738 CO -0.04 -0.89 0.64 -1.58 -1.23 0.00 0.00 174.94 171.84 2c3u s GLN 739 N 1.36 4.34 -0.14 2.79 2.00 -0.62 -4.81 119.66 124.57 2c3u s GLN 739 Ca 0.06 0.71 -0.16 0.00 -2.00 0.00 0.00 55.36 53.97 2c3u s GLN 739 Cb -0.27 -3.49 -0.04 0.00 0.80 0.00 0.00 33.01 30.01 2c3u s GLN 739 CO 0.01 -0.03 0.38 0.42 -0.50 0.00 0.00 175.29 175.56 2c3u s ILE 740 N 1.19 5.25 -1.01 -2.34 -1.09 -1.26 -0.75 121.20 121.18 2c3u s ILE 740 Ca 0.32 0.74 -0.13 0.00 -2.23 0.00 0.00 60.65 59.35 2c3u s ILE 740 Cb -0.16 -3.72 0.22 0.00 -1.58 0.00 0.00 42.46 37.21 2c3u s ILE 740 CO 0.14 0.37 1.06 0.21 -1.23 0.00 0.00 174.94 175.49 2c3u s ASN 741 N 0.49 6.99 0.42 3.58 3.04 0.39 -4.70 114.94 125.15 2c3u s ASN 741 Ca 0.21 -2.95 0.09 0.00 0.04 0.00 0.00 52.86 50.25 2c3u s ASN 741 Cb -0.14 -2.28 0.91 0.00 -1.54 0.00 0.00 41.25 38.21 2c3u s ASN 741 CO 0.07 -0.59 2.04 0.71 -3.04 0.00 0.00 177.10 176.29 2c3u h THR 742 N 4.56 1.10 0.00 -5.21 1.35 -1.89 -1.18 112.91 111.64 2c3u h THR 742 Ca 0.18 -0.29 -0.14 0.00 -0.55 0.00 0.00 66.41 65.61 2c3u h THR 742 Cb 0.95 0.75 -0.02 0.00 -1.73 0.00 0.00 68.15 68.10 2c3u h THR 742 CO 0.99 0.11 -0.68 -0.07 -0.25 0.00 0.00 175.52 175.62 2c3u h LEU 743 N 0.39 0.00 0.00 3.87 3.38 -1.95 -3.24 115.31 117.76 2c3u h LEU 743 Ca 0.10 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.07 2c3u h LEU 743 Cb 0.05 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.80 2c3u h LEU 743 CO -0.01 0.68 -1.10 0.47 0.09 0.00 0.00 178.44 178.56 2c3u n ASP 744 N -3.52 0.64 -4.75 -0.43 8.00 -1.07 -0.48 116.55 114.94 2c3u n ASP 744 Ca -0.00 0.09 -0.38 0.00 0.71 0.00 0.00 54.79 55.21 2c3u n ASP 744 Cb 0.72 0.73 0.03 0.00 -0.02 0.00 0.00 41.12 42.58 2c3u n ASP 744 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2c3u n MET 746 N -0.89 1.32 -2.53 0.00 2.81 -1.26 -3.93 117.12 112.64 2c3u n MET 746 Ca 0.09 -1.18 -0.11 0.00 -1.81 0.00 0.00 57.70 54.69 2c3u n MET 746 Cb 0.45 -1.26 0.01 0.00 -0.71 0.00 0.00 33.22 31.71 2c3u n MET 746 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2c3u n GLY 747 N 0.92 0.03 0.20 3.03 0.00 -1.25 -4.55 105.19 103.57 2c3u n GLY 747 Ca 0.08 -0.35 -0.18 0.00 0.00 0.00 0.00 46.02 45.57 2c3u n GLY 747 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2c3u n GLY 749 N 0.82 0.51 0.09 0.00 0.00 -1.26 -3.39 105.19 101.97 2c3u n GLY 749 Ca -0.09 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.83 2c3u n GLY 749 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 2c3u h ASN 750 N 0.00 0.18 -0.01 1.61 4.21 -1.86 -0.63 115.58 119.09 2c3u h ASN 750 Ca 0.00 -0.02 0.03 0.00 1.21 0.00 0.00 56.30 57.52 2c3u h ASN 750 Cb 0.00 -0.05 -0.05 0.00 -1.12 0.00 0.00 38.32 37.11 2c3u h ASN 750 CO 0.00 0.15 -0.25 0.00 -1.29 0.00 0.00 177.43 176.04 2c3u h ALA 752 N 0.46 1.08 0.00 0.00 0.00 -1.84 -0.68 119.26 118.28 2c3u h ALA 752 Ca 0.07 -0.12 -0.04 0.00 0.00 0.00 0.00 54.91 54.81 2c3u h ALA 752 Cb 0.47 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 2c3u h ALA 752 CO -0.23 0.59 -0.20 0.22 0.00 0.00 0.00 179.25 179.62 2c3u h ASP 753 N 1.17 0.00 0.00 0.00 3.58 -0.65 -3.06 116.42 117.46 2c3u h ASP 753 Ca 0.30 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.75 2c3u h ASP 753 Cb 0.02 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.07 2c3u h ASP 753 CO -0.05 0.20 -1.23 0.00 -2.88 0.00 0.00 179.24 175.28 2c3u n ILE 754 N -3.72 0.00 -1.59 2.25 3.06 -0.26 -4.94 119.36 114.17 2c3u n ILE 754 Ca -0.01 -0.13 -0.53 0.00 -2.50 0.00 0.00 62.75 59.58 2c3u n ILE 754 Cb 0.31 0.75 -0.07 0.00 0.54 0.00 0.00 39.64 41.18 2c3u n ILE 754 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 2c3u h PRO 756 N 9.92 -0.03 -6.45 0.00 0.11 -1.91 -3.45 132.00 130.19 2c3u h PRO 756 Ca -0.38 0.00 -0.61 0.00 0.11 0.00 0.00 66.00 65.12 2c3u h PRO 756 Cb 1.31 0.01 0.12 0.00 0.11 0.00 0.00 31.00 32.54 2c3u h PRO 756 CO 0.99 -0.02 0.03 -0.35 -0.21 0.00 0.00 178.00 178.43 2c3u n PRO 757 N -3.41 1.17 -0.08 1.05 -0.04 -1.26 -4.87 135.00 127.56 2c3u n PRO 757 Ca 0.00 0.41 0.01 0.00 -0.04 0.00 0.00 63.50 63.88 2c3u n PRO 757 Cb 0.06 -1.78 0.31 0.00 -0.04 0.00 0.00 33.50 32.06 2c3u n PRO 757 CO 0.00 0.00 0.00 0.87 -0.04 0.00 0.00 175.50 176.33 2c3u h LYS 758 N 1.70 0.70 -4.11 0.54 1.57 -1.96 -3.06 116.57 111.96 2c3u h LYS 758 Ca -0.40 -0.08 -0.77 0.00 -1.87 0.00 0.00 60.65 57.54 2c3u h LYS 758 Cb 1.35 -0.14 -0.22 0.00 0.08 0.00 0.00 32.23 33.30 2c3u h LYS 758 CO 0.59 0.54 1.04 -0.85 -0.57 0.00 0.00 179.45 180.19 2c3u n GLU 759 N -4.39 3.52 -0.73 3.15 0.00 -1.26 -5.00 120.64 115.93 2c3u n GLU 759 Ca 0.04 -4.10 -0.26 0.00 0.00 0.00 0.00 57.16 52.84 2c3u n GLU 759 Cb 0.12 -2.82 -0.02 0.00 0.00 0.00 0.00 31.44 28.71 2c3u n GLU 759 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.13 178.76 2c3u n LYS 760 N 4.14 0.00 0.00 3.44 4.76 -1.16 -4.73 118.16 124.62 2c3u n LYS 760 Ca 0.32 0.00 0.11 0.00 -2.87 0.00 0.00 58.31 55.87 2c3u n LYS 760 Cb 0.40 -0.59 0.14 0.00 -1.84 0.00 0.00 35.03 33.15 2c3u n LYS 760 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2c3u n ALA 761 N 0.24 3.83 -3.69 7.82 0.00 -1.26 -4.78 120.51 122.67 2c3u n ALA 761 Ca 0.09 -0.45 -0.24 0.00 0.00 0.00 0.00 53.44 52.84 2c3u n ALA 761 Cb 0.10 -0.99 -0.17 0.00 0.00 0.00 0.00 19.45 18.39 2c3u n ALA 761 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2c3u s LEU 762 N -2.88 1.27 -0.01 0.00 1.43 -1.26 0.15 118.68 117.38 2c3u s LEU 762 Ca 0.13 -0.23 0.03 0.00 -1.03 0.00 0.00 54.13 53.03 2c3u s LEU 762 Cb 0.17 -0.68 -0.01 0.00 0.03 0.00 0.00 46.19 45.71 2c3u s LEU 762 CO 0.71 -0.07 -0.11 -0.69 0.23 0.00 0.00 176.35 176.42 2c3u s VAL 763 N 1.24 0.87 0.15 -1.59 1.01 -0.71 -4.77 120.40 116.59 2c3u s VAL 763 Ca -0.05 -0.45 -0.30 0.00 0.00 0.00 0.00 61.98 61.18 2c3u s VAL 763 Cb -0.14 -0.74 -0.07 0.00 0.00 0.00 0.00 36.38 35.44 2c3u s VAL 763 CO -0.02 0.25 1.13 -0.04 0.00 0.00 0.00 175.10 176.41 2c3u s MET 764 N -0.14 4.55 0.04 2.72 1.00 -1.26 0.28 119.30 126.48 2c3u s MET 764 Ca 0.02 1.74 -0.02 0.00 0.00 0.00 0.00 55.69 57.43 2c3u s MET 764 Cb -0.05 -3.29 -0.02 0.00 0.00 0.00 0.00 34.83 31.46 2c3u s MET 764 CO -0.00 -0.02 0.02 -0.65 0.00 0.00 0.00 175.02 174.37 2c3u s GLN 765 N -0.02 0.52 0.28 2.03 -1.52 -0.16 -4.92 119.66 115.87 2c3u s GLN 765 Ca 0.52 -0.89 -0.30 0.00 -1.95 0.00 0.00 55.36 52.73 2c3u s GLN 765 Cb -0.29 0.19 -0.11 0.00 -0.22 0.00 0.00 33.01 32.57 2c3u s GLN 765 CO 0.34 -0.11 1.62 -2.14 -0.25 0.00 0.00 175.29 174.75 2c3u s PRO 766 N -2.80 4.12 0.26 2.91 0.02 -1.26 -0.13 135.00 138.12 2c3u s PRO 766 Ca -0.03 2.59 -0.10 0.00 0.02 0.00 0.00 61.00 63.48 2c3u s PRO 766 Cb -0.00 -3.03 0.40 0.00 0.02 0.00 0.00 34.50 31.89 2c3u s PRO 766 CO -0.06 -0.66 1.57 1.25 -0.33 0.00 0.00 177.00 178.78 2c3u h LEU 767 N 5.22 -0.90 -2.00 -5.54 5.85 -1.44 0.14 115.31 116.64 2c3u h LEU 767 Ca -0.46 0.28 0.15 0.00 0.84 0.00 0.00 57.88 58.69 2c3u h LEU 767 Cb 1.22 0.59 -0.02 0.00 0.37 0.00 0.00 40.66 42.81 2c3u h LEU 767 CO 0.82 -0.31 0.39 -2.24 -0.34 0.00 0.00 178.44 176.76 2c3u h ASP 768 N -0.00 0.00 0.09 1.25 3.04 -1.90 0.14 116.42 119.04 2c3u h ASP 768 Ca 0.44 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 54.23 2c3u h ASP 768 Cb 0.67 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.96 2c3u h ASP 768 CO -0.96 0.00 -0.00 0.35 -2.04 0.00 0.00 179.24 176.59 2c3u n THR 769 N -4.34 0.00 0.00 1.15 -2.24 0.49 -4.23 114.28 105.11 2c3u n THR 769 Ca 0.10 -0.02 0.00 0.00 -2.27 0.00 0.00 64.05 61.86 2c3u n THR 769 Cb 0.61 -0.41 0.00 0.00 -2.10 0.00 0.00 70.33 68.43 2c3u n THR 769 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2c3u n GLN 770 N -0.96 1.92 0.00 -0.78 1.13 0.41 -4.91 117.38 114.20 2c3u n GLN 770 Ca 0.22 0.00 -0.10 0.00 -1.94 0.00 0.00 57.00 55.18 2c3u n GLN 770 Cb 0.15 -0.93 -0.03 0.00 0.11 0.00 0.00 30.24 29.54 2c3u n GLN 770 CO 0.00 0.00 0.00 0.07 -1.44 0.00 0.00 177.06 175.69 2c3u h ARG 771 N 0.00 -0.32 -0.68 -1.09 0.11 -1.55 -1.48 114.38 109.37 2c3u h ARG 771 Ca 0.00 0.02 0.15 0.00 0.10 0.00 0.00 59.98 60.25 2c3u h ARG 771 Cb 0.86 0.07 -0.12 0.00 1.11 0.00 0.00 29.97 31.90 2c3u h ARG 771 CO 0.00 -0.21 -0.02 -0.44 0.10 0.00 0.00 179.97 179.39 2c3u h ASP 772 N -0.33 -0.35 -0.05 0.08 3.32 -1.88 0.75 116.42 117.95 2c3u h ASP 772 Ca 0.10 0.18 -0.08 0.00 0.02 0.00 0.00 57.03 57.25 2c3u h ASP 772 Cb 0.48 0.32 0.00 0.00 0.22 0.00 0.00 39.33 40.36 2c3u h ASP 772 CO -0.32 -0.15 -0.28 0.00 -1.72 0.00 0.00 179.24 176.77 2c3u h ALA 773 N 1.63 0.11 0.00 3.45 0.00 -1.88 -3.37 119.26 119.20 2c3u h ALA 773 Ca 0.36 -0.43 -0.12 0.00 0.00 0.00 0.00 54.91 54.71 2c3u h ALA 773 Cb 0.59 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.36 2c3u h ALA 773 CO -0.60 0.13 -0.59 1.96 0.00 0.00 0.00 179.25 180.15 2c3u h GLN 774 N -0.25 0.00 0.39 0.00 1.08 -0.72 -3.20 115.11 112.41 2c3u h GLN 774 Ca -0.02 0.00 -0.02 0.00 -1.45 0.00 0.00 58.65 57.16 2c3u h GLN 774 Cb 0.94 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.37 2c3u h GLN 774 CO 0.06 0.59 -0.21 0.28 -0.95 0.00 0.00 178.83 178.60 2c3u h VAL 775 N 0.00 0.58 0.00 -0.54 2.07 0.34 0.21 116.25 118.90 2c3u h VAL 775 Ca -0.01 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.51 2c3u h VAL 775 Cb 1.41 0.58 0.00 0.00 -1.52 0.00 0.00 31.29 31.75 2c3u h VAL 775 CO 0.08 0.00 0.00 1.55 0.02 0.00 0.00 177.57 179.22 2c3u h PRO 776 N -0.55 0.00 -0.01 1.57 0.13 -1.73 -1.98 132.00 129.42 2c3u h PRO 776 Ca -0.05 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 65.01 2c3u h PRO 776 Cb 0.44 0.00 0.01 0.00 0.13 0.00 0.00 31.00 31.57 2c3u h PRO 776 CO 0.07 0.00 -0.26 -0.91 -0.23 0.00 0.00 178.00 176.67 2c3u h ASN 777 N 0.00 0.24 -0.70 1.44 -0.26 -1.39 -2.38 115.58 112.53 2c3u h ASN 777 Ca 0.00 -0.76 -0.06 0.00 -0.56 0.00 0.00 56.30 54.91 2c3u h ASN 777 Cb 0.47 -0.07 -0.03 0.00 -1.06 0.00 0.00 38.32 37.63 2c3u h ASN 777 CO 0.00 0.97 0.20 0.25 -1.06 0.00 0.00 177.43 177.79 2c3u h LEU 778 N -0.47 1.05 -2.34 1.61 7.12 -0.52 0.17 115.31 121.92 2c3u h LEU 778 Ca -0.03 -0.21 -0.01 0.00 0.13 0.00 0.00 57.88 57.77 2c3u h LEU 778 Cb 1.01 -0.27 -0.00 0.00 -0.53 0.00 0.00 40.66 40.86 2c3u h LEU 778 CO 0.05 0.99 -0.03 -0.33 -0.13 0.00 0.00 178.44 178.99 2c3u h GLU 779 N 1.06 0.00 0.07 1.25 4.39 -1.38 0.15 114.58 120.11 2c3u h GLU 779 Ca 0.23 0.00 -0.29 0.00 0.34 0.00 0.00 59.36 59.64 2c3u h GLU 779 Cb 0.33 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.96 2c3u h GLU 779 CO -0.00 0.03 -1.54 -0.92 -1.16 0.00 0.00 179.01 175.41 2c3u h TYR 780 N 0.00 0.26 -0.67 4.33 3.20 -0.68 -3.37 116.97 120.04 2c3u h TYR 780 Ca -0.00 -0.19 -0.01 0.00 3.14 0.00 0.00 58.73 61.67 2c3u h TYR 780 Cb 0.20 -0.01 -0.03 0.00 1.54 0.00 0.00 36.73 38.43 2c3u h TYR 780 CO 0.00 1.61 0.37 0.00 -1.64 0.00 0.00 178.16 178.49 2c3u h ALA 781 N -0.20 1.39 -0.01 1.82 0.00 -0.22 -1.15 119.26 120.88 2c3u h ALA 781 Ca -0.36 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.45 2c3u h ALA 781 Cb 1.65 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 19.17 2c3u h ALA 781 CO -0.05 0.51 0.05 0.00 0.00 0.00 0.00 179.25 179.76 2c3u h ALA 782 N 1.47 1.18 -0.02 0.00 0.00 -0.89 0.18 119.26 121.20 2c3u h ALA 782 Ca 0.24 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.15 2c3u h ALA 782 Cb 0.02 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.81 2c3u h ALA 782 CO -0.04 -0.06 -0.03 0.54 0.00 0.00 0.00 179.25 179.66 2c3u n ARG 783 N -3.24 1.63 -3.31 0.00 1.74 -0.44 -4.84 116.66 108.20 2c3u n ARG 783 Ca -0.03 -0.99 -0.39 0.00 -0.77 0.00 0.00 57.85 55.68 2c3u n ARG 783 Cb 0.12 -1.48 -0.07 0.00 -1.02 0.00 0.00 32.46 30.02 2c3u n ARG 783 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 2c3u s ILE 784 N -2.06 5.15 0.15 0.55 1.01 0.62 -5.02 121.20 121.61 2c3u s ILE 784 Ca 0.36 0.87 -0.34 0.00 0.00 0.00 0.00 60.65 61.53 2c3u s ILE 784 Cb 0.21 -3.80 -0.15 0.00 0.01 0.00 0.00 42.46 38.73 2c3u s ILE 784 CO 0.35 0.23 1.45 -2.65 0.00 0.00 0.00 174.94 174.32 2c3u n PRO 785 N 4.48 1.75 -2.26 2.79 -0.02 -1.26 -4.90 135.00 135.58 2c3u n PRO 785 Ca -0.06 0.63 -0.42 0.00 -2.02 0.00 0.00 63.50 61.63 2c3u n PRO 785 Cb 0.51 -2.32 -0.03 0.00 -0.02 0.00 0.00 33.50 31.64 2c3u n PRO 785 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 2c3u s VAL 786 N 0.54 3.58 -1.23 -1.45 1.01 -1.26 -4.86 120.40 116.73 2c3u s VAL 786 Ca 0.78 1.12 -0.12 0.00 0.00 0.00 0.00 61.98 63.77 2c3u s VAL 786 Cb -0.77 -3.72 0.18 0.00 0.00 0.00 0.00 36.38 32.07 2c3u s VAL 786 CO 0.43 0.08 1.59 0.29 0.00 0.00 0.00 175.10 177.49 2c3u n LYS 787 N 4.01 3.49 0.15 2.72 4.76 -1.26 -4.77 118.16 127.26 2c3u n LYS 787 Ca 0.11 -3.77 0.13 0.00 -2.87 0.00 0.00 58.31 51.91 2c3u n LYS 787 Cb 0.44 -2.97 0.41 0.00 -1.84 0.00 0.00 35.03 31.06 2c3u n LYS 787 CO 0.00 0.00 0.00 0.66 -1.37 0.00 0.00 177.40 176.69 2c3u h SER 788 N 6.58 0.00 0.69 4.39 4.64 -1.84 -3.27 113.55 124.74 2c3u h SER 788 Ca 0.34 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.66 2c3u h SER 788 Cb 0.78 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.87 2c3u h SER 788 CO 1.38 0.00 -0.83 -0.62 -0.87 0.00 0.00 176.83 175.89 2c3u n GLU 789 N -2.51 0.31 -0.12 4.77 4.71 -1.26 -4.44 120.64 122.10 2c3u n GLU 789 Ca 0.04 0.05 -0.11 0.00 -0.01 0.00 0.00 57.16 57.13 2c3u n GLU 789 Cb 0.39 -1.66 0.02 0.00 -1.01 0.00 0.00 31.44 29.18 2c3u n GLU 789 CO 0.00 0.00 0.00 -0.24 0.09 0.00 0.00 177.13 176.98 2c3u h VAL 790 N 0.00 1.27 -3.10 2.62 3.04 -1.94 -3.46 116.25 114.68 2c3u h VAL 790 Ca 0.00 -1.45 -0.40 0.00 -1.01 0.00 0.00 66.70 63.84 2c3u h VAL 790 Cb 0.76 1.25 -0.14 0.00 -2.01 0.00 0.00 31.29 31.15 2c3u h VAL 790 CO 0.00 0.49 -0.71 -0.76 -1.01 0.00 0.00 177.57 175.58 2c3u s LEU 791 N -8.94 2.49 0.14 3.16 1.43 -1.26 -4.99 118.68 110.72 2c3u s LEU 791 Ca -0.11 -1.06 -0.34 0.00 -1.03 0.00 0.00 54.13 51.59 2c3u s LEU 791 Cb 0.12 -0.50 -0.14 0.00 0.03 0.00 0.00 46.19 45.70 2c3u s LEU 791 CO 0.87 -0.29 1.56 -2.65 0.23 0.00 0.00 176.35 176.06 2c3u n PRO 792 N -0.34 2.02 -0.31 1.29 -0.02 -1.26 -4.86 135.00 131.52 2c3u n PRO 792 Ca -0.08 0.73 0.03 0.00 -2.02 0.00 0.00 63.50 62.16 2c3u n PRO 792 Cb 0.61 -2.48 0.18 0.00 -0.02 0.00 0.00 33.50 31.79 2c3u n PRO 792 CO 0.00 0.00 0.00 -0.09 1.98 0.00 0.00 175.50 177.39 2c3u h ARG 793 N 5.87 0.82 -0.73 -0.52 2.43 -1.86 -2.50 114.38 117.89 2c3u h ARG 793 Ca -0.45 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 58.67 2c3u h ARG 793 Cb 1.26 -0.19 0.00 0.00 -0.42 0.00 0.00 29.97 30.63 2c3u h ARG 793 CO 0.88 0.54 0.00 -0.40 -1.51 0.00 0.00 179.97 179.48 2c3u n ASP 794 N -4.71 3.49 -4.92 -3.80 3.85 -1.26 -2.93 116.55 106.27 2c3u n ASP 794 Ca 0.14 -2.47 -0.30 0.00 -0.71 0.00 0.00 54.79 51.46 2c3u n ASP 794 Cb 0.28 -0.57 -0.04 0.00 -1.35 0.00 0.00 41.12 39.44 2c3u n ASP 794 CO 0.00 0.00 0.00 -0.94 -1.01 0.00 0.00 177.20 175.25 2c3u s SER 795 N -0.48 6.38 0.14 -1.12 1.04 -0.94 -4.81 113.70 113.91 2c3u s SER 795 Ca 0.30 0.33 -0.31 0.00 0.48 0.00 0.00 55.95 56.74 2c3u s SER 795 Cb 0.22 -1.98 -0.08 0.00 0.10 0.00 0.00 66.02 64.28 2c3u s SER 795 CO 0.10 0.10 1.56 0.25 0.98 0.00 0.00 173.24 176.23 2c3u h LEU 796 N 2.74 -1.73 -0.28 2.42 6.46 -1.90 0.11 115.31 123.12 2c3u h LEU 796 Ca -0.46 0.23 -0.06 0.00 -0.12 0.00 0.00 57.88 57.48 2c3u h LEU 796 Cb 1.17 0.71 -0.01 0.00 -0.73 0.00 0.00 40.66 41.81 2c3u h LEU 796 CO 0.73 -0.41 -0.04 0.50 -0.62 0.00 0.00 178.44 178.60 2c3u h LYS 797 N -0.41 0.52 -0.77 1.25 3.64 -1.92 -3.27 116.57 115.61 2c3u h LYS 797 Ca 0.09 -0.19 0.01 0.00 -1.27 0.00 0.00 60.65 59.29 2c3u h LYS 797 Cb 0.61 -0.04 -0.04 0.00 -0.41 0.00 0.00 32.23 32.35 2c3u h LYS 797 CO -0.57 0.71 0.51 0.78 -2.27 0.00 0.00 179.45 178.61 2c3u h GLY 798 N 0.29 1.09 1.93 5.01 0.00 -1.60 -2.76 103.07 107.02 2c3u h GLY 798 Ca 0.07 -0.40 -0.02 0.00 0.00 0.00 0.00 47.33 46.98 2c3u h GLY 798 CO 0.02 0.38 -0.08 1.48 0.00 0.00 0.00 176.54 178.35 2c3u h SER 799 N 1.02 0.08 0.00 0.19 4.64 -0.68 -0.89 113.55 117.93 2c3u h SER 799 Ca 0.29 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.60 2c3u h SER 799 Cb -0.08 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 61.98 2c3u h SER 799 CO -0.07 0.18 0.00 0.00 -0.87 0.00 0.00 176.83 176.07 2c3u n GLN 800 N -4.39 0.99 -0.70 4.77 1.13 -1.04 -2.04 117.38 116.08 2c3u n GLN 800 Ca -0.02 0.00 0.08 0.00 -1.94 0.00 0.00 57.00 55.12 2c3u n GLN 800 Cb 0.18 -1.48 0.34 0.00 0.11 0.00 0.00 30.24 29.39 2c3u n GLN 800 CO 0.00 0.00 0.00 1.19 -1.44 0.00 0.00 177.06 176.81 2c3u n PHE 801 N -0.98 1.59 -4.33 1.08 0.99 -0.34 -4.62 117.46 110.85 2c3u n PHE 801 Ca 0.23 -0.80 -0.25 0.00 -0.00 0.00 0.00 57.45 56.63 2c3u n PHE 801 Cb 0.10 -0.43 -0.09 0.00 -1.00 0.00 0.00 39.48 38.06 2c3u n PHE 801 CO 0.00 0.00 0.00 -0.65 -0.00 0.00 0.00 176.76 176.11 2c3u s GLN 802 N -2.80 2.00 -0.12 -1.08 -1.52 -0.87 -2.45 119.66 112.81 2c3u s GLN 802 Ca 0.49 -1.40 -0.29 0.00 -1.95 0.00 0.00 55.36 52.21 2c3u s GLN 802 Cb 0.39 -2.07 -0.02 0.00 -0.22 0.00 0.00 33.01 31.09 2c3u s GLN 802 CO 0.13 0.40 1.23 -1.21 -0.25 0.00 0.00 175.29 175.59 2c3u s GLU 803 N -3.10 4.28 0.09 2.91 2.02 -1.26 -5.00 118.70 118.64 2c3u s GLU 803 Ca 0.27 1.65 -0.30 0.00 0.02 0.00 0.00 54.97 56.61 2c3u s GLU 803 Cb -0.08 -3.68 -0.05 0.00 0.10 0.00 0.00 34.13 30.42 2c3u s GLU 803 CO 0.16 -0.60 1.00 -1.25 0.02 0.00 0.00 175.26 174.59 2c3u s PRO 804 N 2.96 4.63 -0.17 0.39 0.04 -1.26 -4.48 135.00 137.11 2c3u s PRO 804 Ca 0.55 1.50 0.16 0.00 0.04 0.00 0.00 61.00 63.25 2c3u s PRO 804 Cb -0.23 -3.38 0.76 0.00 0.04 0.00 0.00 34.50 31.70 2c3u s PRO 804 CO 0.17 0.10 1.68 1.28 0.04 0.00 0.00 177.00 180.27 2c3u n LEU 805 N 3.08 5.20 -3.39 -3.56 4.32 -1.26 -4.74 117.00 116.65 2c3u n LEU 805 Ca 0.04 -2.70 -0.14 0.00 -0.02 0.00 0.00 56.01 53.19 2c3u n LEU 805 Cb 0.49 -0.63 -0.09 0.00 -1.62 0.00 0.00 43.42 41.57 2c3u n LEU 805 CO 0.52 0.72 -0.14 -0.32 -1.22 0.00 0.00 177.39 176.96 2c3u s MET 806 N -2.31 0.32 0.10 3.23 1.75 -1.26 -0.41 119.30 120.72 2c3u s MET 806 Ca 0.53 0.10 0.04 0.00 -1.25 0.00 0.00 55.69 55.11 2c3u s MET 806 Cb 0.37 -0.66 -0.03 0.00 2.84 0.00 0.00 34.83 37.35 2c3u s MET 806 CO 0.20 -0.89 -0.11 -1.21 -0.65 0.00 0.00 175.02 172.36 2c3u s GLU 807 N 2.42 0.86 -1.55 4.11 2.02 -0.21 -4.77 118.70 121.58 2c3u s GLU 807 Ca 0.10 -1.12 -0.10 0.00 0.02 0.00 0.00 54.97 53.87 2c3u s GLU 807 Cb -0.14 -0.65 0.08 0.00 0.10 0.00 0.00 34.13 33.52 2c3u s GLU 807 CO -0.26 0.12 0.66 1.19 0.02 0.00 0.00 175.26 176.99 2c3u n PHE 808 N 0.72 -1.79 -1.37 1.61 0.99 -0.69 -4.41 117.46 112.52 2c3u n PHE 808 Ca -0.17 0.79 -0.29 0.00 -0.00 0.00 0.00 57.45 57.78 2c3u n PHE 808 Cb 0.57 -3.47 0.17 0.00 -1.00 0.00 0.00 39.48 35.76 2c3u n PHE 808 CO 0.00 0.00 0.00 -1.54 -0.00 0.00 0.00 176.76 175.22 2c3u s SER 809 N -3.77 2.67 -0.16 4.37 1.04 -1.26 -4.83 113.70 111.76 2c3u s SER 809 Ca 0.41 0.89 0.03 0.00 0.48 0.00 0.00 55.95 57.76 2c3u s SER 809 Cb -0.22 -1.37 0.31 0.00 0.10 0.00 0.00 66.02 64.84 2c3u s SER 809 CO 0.89 -3.07 1.25 0.61 0.98 0.00 0.00 173.24 173.91 2c3u n GLY 810 N -1.78 2.70 3.76 7.32 0.00 -1.25 -4.93 105.19 111.01 2c3u n GLY 810 Ca 0.08 -0.44 -0.32 0.00 0.00 0.00 0.00 46.02 45.35 2c3u n GLY 810 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2c3u s ALA 811 N -1.54 2.31 1.09 4.61 0.00 -1.26 -3.02 121.76 123.95 2c3u s ALA 811 Ca 0.24 0.40 -0.12 0.00 0.00 0.00 0.00 51.96 52.48 2c3u s ALA 811 Cb 0.19 -3.30 0.24 0.00 0.00 0.00 0.00 23.12 20.25 2c3u s ALA 811 CO 0.06 -1.61 1.06 0.00 0.00 0.00 0.00 175.76 175.26 2c3u s SER 813 N -2.65 6.88 -0.55 0.00 0.01 -1.26 -2.44 113.70 113.67 2c3u s SER 813 Ca 0.68 2.31 0.00 0.00 1.31 0.00 0.00 55.95 60.25 2c3u s SER 813 Cb -0.24 -2.59 0.00 0.00 0.21 0.00 0.00 66.02 63.40 2c3u s SER 813 CO 0.62 -0.59 0.00 0.61 0.41 0.00 0.00 173.24 174.29 2c3u n GLY 814 N 3.10 0.77 3.62 3.44 0.00 -1.26 -4.85 105.19 110.00 2c3u n GLY 814 Ca 0.09 -0.53 -0.47 0.00 0.00 0.00 0.00 46.02 45.11 2c3u n GLY 814 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2c3u n GLY 816 N 1.97 -0.75 0.13 0.00 0.00 -0.81 -4.12 105.19 101.60 2c3u n GLY 816 Ca 0.13 -0.27 -0.23 0.00 0.00 0.00 0.00 46.02 45.64 2c3u n GLY 816 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2c3u n GLU 817 N -0.71 0.63 0.16 1.61 1.02 -1.26 -4.38 120.64 117.71 2c3u n GLU 817 Ca 0.20 0.29 0.09 0.00 -0.02 0.00 0.00 57.16 57.72 2c3u n GLU 817 Cb 0.21 -1.59 0.60 0.00 -0.02 0.00 0.00 31.44 30.65 2c3u n GLU 817 CO 0.00 0.00 0.00 1.79 1.18 0.00 0.00 177.13 180.10 2c3u h THR 818 N -0.51 0.97 -0.81 2.62 1.35 -1.86 -2.07 112.91 112.60 2c3u h THR 818 Ca -0.55 -0.04 -0.04 0.00 -0.55 0.00 0.00 66.41 65.22 2c3u h THR 818 Cb 1.72 0.85 -0.04 0.00 -1.73 0.00 0.00 68.15 68.95 2c3u h THR 818 CO -0.20 0.02 0.34 -0.65 -0.25 0.00 0.00 175.52 174.79 2c3u h PRO 819 N 0.12 1.20 0.19 4.72 0.11 -1.78 -2.13 132.00 134.43 2c3u h PRO 819 Ca 0.08 -0.20 -0.01 0.00 0.11 0.00 0.00 66.00 65.97 2c3u h PRO 819 Cb 0.16 -0.20 0.00 0.00 0.11 0.00 0.00 31.00 31.07 2c3u h PRO 819 CO -0.01 0.95 -0.09 1.88 -0.21 0.00 0.00 178.00 180.52 2c3u h TYR 820 N 1.17 -0.24 -0.49 0.65 -1.99 -1.63 -2.77 116.97 111.67 2c3u h TYR 820 Ca 0.27 -0.01 -0.06 0.00 2.00 0.00 0.00 58.73 60.93 2c3u h TYR 820 Cb 0.19 0.08 -0.02 0.00 2.00 0.00 0.00 36.73 38.97 2c3u h TYR 820 CO 0.02 -0.09 0.04 -0.39 -0.00 0.00 0.00 178.16 177.74 2c3u h VAL 821 N -0.33 1.23 -0.29 -2.88 -1.51 -1.47 -2.13 116.25 108.88 2c3u h VAL 821 Ca -0.03 -0.92 0.05 0.00 -1.23 0.00 0.00 66.70 64.58 2c3u h VAL 821 Cb 0.25 0.82 -0.05 0.00 -2.13 0.00 0.00 31.29 30.18 2c3u h VAL 821 CO 0.04 0.33 -0.00 -0.09 -1.23 0.00 0.00 177.57 176.62 2c3u h ARG 822 N 0.74 0.08 -0.26 5.19 2.43 -1.27 -0.44 114.38 120.85 2c3u h ARG 822 Ca 0.15 -0.00 -0.14 0.00 -0.81 0.00 0.00 59.98 59.18 2c3u h ARG 822 Cb 0.39 -0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 29.91 2c3u h ARG 822 CO 0.01 0.05 -0.42 -0.39 -1.51 0.00 0.00 179.97 177.72 2c3u h VAL 823 N 0.08 1.30 -0.82 0.20 -1.51 -1.27 -2.06 116.25 112.17 2c3u h VAL 823 Ca 0.14 -1.59 0.17 0.00 -1.23 0.00 0.00 66.70 64.18 2c3u h VAL 823 Cb 0.19 1.55 -0.10 0.00 -2.13 0.00 0.00 31.29 30.79 2c3u h VAL 823 CO -0.24 0.51 0.35 0.40 -1.23 0.00 0.00 177.57 177.35 2c3u h ILE 824 N 0.51 0.61 0.00 7.19 2.04 -0.62 0.36 117.51 127.59 2c3u h ILE 824 Ca 0.04 -0.16 -0.07 0.00 1.00 0.00 0.00 64.86 65.68 2c3u h ILE 824 Cb 0.94 0.11 -0.01 0.00 -0.74 0.00 0.00 36.82 37.12 2c3u h ILE 824 CO 0.08 0.08 -0.32 0.71 0.00 0.00 0.00 178.15 178.70 2c3u h THR 825 N 0.46 1.02 0.00 -0.27 1.35 -0.44 -1.16 112.91 113.86 2c3u h THR 825 Ca 0.47 -1.20 0.00 0.00 -0.55 0.00 0.00 66.41 65.13 2c3u h THR 825 Cb 0.76 1.69 0.00 0.00 -1.73 0.00 0.00 68.15 68.87 2c3u h THR 825 CO -0.44 0.32 0.00 1.56 -0.25 0.00 0.00 175.52 176.71 2c3u h GLN 826 N 0.00 0.00 0.00 4.72 4.20 0.18 0.10 115.11 124.32 2c3u h GLN 826 Ca -0.00 0.00 -0.38 0.00 0.06 0.00 0.00 58.65 58.33 2c3u h GLN 826 Cb 0.66 0.00 -0.07 0.00 0.30 0.00 0.00 27.48 28.37 2c3u h GLN 826 CO 0.04 0.00 -2.40 1.28 -0.67 0.00 0.00 178.83 177.08 2c3u n LEU 827 N -2.79 1.25 0.00 1.46 4.32 -0.54 -4.77 117.00 115.94 2c3u n LEU 827 Ca 0.00 -0.04 0.00 0.00 -0.02 0.00 0.00 56.01 55.95 2c3u n LEU 827 Cb 0.24 -0.10 0.00 0.00 -1.62 0.00 0.00 43.42 41.94 2c3u n LEU 827 CO 0.23 0.68 0.07 0.49 -1.22 0.00 0.00 177.39 177.64 2c3u n PHE 828 N -2.97 0.00 -0.28 -1.77 3.01 -0.61 -4.92 117.46 109.91 2c3u n PHE 828 Ca -0.38 -0.00 0.07 0.00 1.01 0.00 0.00 57.45 58.15 2c3u n PHE 828 Cb 1.09 -0.00 0.14 0.00 -0.01 0.00 0.00 39.48 40.70 2c3u n PHE 828 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2c3u n GLY 829 N -0.00 -1.25 0.13 1.37 0.00 0.35 -0.75 105.19 105.04 2c3u n GLY 829 Ca 0.00 0.82 0.11 0.00 0.00 0.00 0.00 46.02 46.95 2c3u n GLY 829 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 2c3u n GLU 830 N -5.23 0.17 -0.56 1.61 0.00 -1.26 -2.42 120.64 112.94 2c3u n GLU 830 Ca 0.14 0.48 0.05 0.00 0.00 0.00 0.00 57.16 57.83 2c3u n GLU 830 Cb 0.45 -1.87 0.09 0.00 0.00 0.00 0.00 31.44 30.10 2c3u n GLU 830 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.13 180.02 2c3u n ARG 831 N -2.20 0.70 -4.16 3.44 1.85 0.07 -4.34 116.66 112.03 2c3u n ARG 831 Ca 0.01 -2.11 -0.25 0.00 -1.00 0.00 0.00 57.85 54.50 2c3u n ARG 831 Cb 0.17 -0.93 -0.06 0.00 -1.05 0.00 0.00 32.46 30.58 2c3u n ARG 831 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 2c3u s MET 832 N -1.51 2.65 -0.03 2.89 0.23 -1.13 -0.10 119.30 122.30 2c3u s MET 832 Ca 0.23 -1.05 0.04 0.00 -1.03 0.00 0.00 55.69 53.88 2c3u s MET 832 Cb 0.23 -2.47 -0.03 0.00 -1.53 0.00 0.00 34.83 31.03 2c3u s MET 832 CO -0.03 0.45 -0.13 -0.06 -2.03 0.00 0.00 175.02 173.21 2c3u s PHE 833 N -1.87 2.72 -0.13 3.16 0.40 -0.52 -1.31 117.98 120.44 2c3u s PHE 833 Ca 0.30 -0.14 -0.00 0.00 -0.60 0.00 0.00 56.93 56.48 2c3u s PHE 833 Cb -0.09 -1.61 0.02 0.00 0.51 0.00 0.00 43.02 41.85 2c3u s PHE 833 CO 0.21 0.22 -0.10 0.42 0.70 0.00 0.00 175.22 176.68 2c3u s ILE 834 N -0.79 1.22 -0.48 0.64 1.01 0.41 -1.00 121.20 122.20 2c3u s ILE 834 Ca 0.12 -0.41 -0.12 0.00 0.00 0.00 0.00 60.65 60.25 2c3u s ILE 834 Cb -0.11 -1.20 0.11 0.00 0.01 0.00 0.00 42.46 41.28 2c3u s ILE 834 CO 0.02 0.40 0.38 0.00 0.00 0.00 0.00 174.94 175.73 2c3u s ALA 835 N 1.63 3.46 -0.24 9.38 0.00 -0.24 -0.85 121.76 134.90 2c3u s ALA 835 Ca 0.05 -2.42 -0.13 0.00 0.00 0.00 0.00 51.96 49.46 2c3u s ALA 835 Cb -0.13 -2.94 -0.04 0.00 0.00 0.00 0.00 23.12 20.01 2c3u s ALA 835 CO -0.09 -1.87 0.30 1.21 0.00 0.00 0.00 175.76 175.31 2c3u s ASN 836 N 2.81 6.24 0.54 0.00 3.84 0.11 -1.79 114.94 126.69 2c3u s ASN 836 Ca 0.04 0.27 -0.21 0.00 0.21 0.00 0.00 52.86 53.18 2c3u s ASN 836 Cb -0.26 -2.18 -0.05 0.00 -0.55 0.00 0.00 41.25 38.21 2c3u s ASN 836 CO 0.02 -0.06 1.20 0.00 -2.79 0.00 0.00 177.10 175.46 2c3u s ALA 837 N 1.50 2.75 0.40 1.71 0.00 -0.14 -4.14 121.76 123.84 2c3u s ALA 837 Ca 0.13 1.00 -0.27 0.00 0.00 0.00 0.00 51.96 52.82 2c3u s ALA 837 Cb -0.15 -3.43 -0.09 0.00 0.00 0.00 0.00 23.12 19.45 2c3u s ALA 837 CO 0.08 -0.96 1.38 0.99 0.00 0.00 0.00 175.76 177.25 2c3u s THR 838 N -1.57 2.36 -5.00 0.00 2.01 -1.18 -4.03 115.64 108.23 2c3u s THR 838 Ca 0.71 0.34 0.00 0.00 0.31 0.00 0.00 61.69 63.05 2c3u s THR 838 Cb -0.30 -3.20 0.00 0.00 0.01 0.00 0.00 72.50 69.01 2c3u s THR 838 CO 0.34 0.06 0.00 0.61 -0.69 0.00 0.00 174.62 174.94 2c3u n GLY 839 N 0.62 -0.25 0.21 4.40 0.00 -1.26 -4.83 105.19 104.07 2c3u n GLY 839 Ca 0.03 -1.52 -0.02 0.00 0.00 0.00 0.00 46.02 44.51 2c3u n GLY 839 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2c3u h SER 841 N 0.05 0.00 0.69 0.00 4.64 -1.92 0.41 113.55 117.43 2c3u h SER 841 Ca 0.26 0.00 -0.19 0.00 -0.47 0.00 0.00 61.79 61.39 2c3u h SER 841 Cb 0.40 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.46 2c3u h SER 841 CO -0.49 0.00 -1.43 0.77 -0.87 0.00 0.00 176.83 174.81 2c3u h SER 842 N 0.00 0.00 0.06 4.97 4.64 -1.08 -1.97 113.55 120.17 2c3u h SER 842 Ca 0.08 0.00 -0.18 0.00 -0.47 0.00 0.00 61.79 61.21 2c3u h SER 842 Cb 0.44 0.00 0.02 0.00 -0.31 0.00 0.00 62.40 62.55 2c3u h SER 842 CO -0.00 0.66 -0.76 0.40 -0.87 0.00 0.00 176.83 176.26 2c3u h ILE 843 N 0.00 1.43 0.00 0.95 1.08 0.12 -0.54 117.51 120.55 2c3u h ILE 843 Ca -0.18 -2.27 -0.12 0.00 -0.39 0.00 0.00 64.86 61.90 2c3u h ILE 843 Cb 1.66 2.80 -0.02 0.00 -3.07 0.00 0.00 36.82 38.19 2c3u h ILE 843 CO 0.05 0.66 -0.59 4.11 -0.69 0.00 0.00 178.15 181.69 2c3u h TRP 844 N -0.13 0.00 -0.04 1.37 5.08 -0.49 -3.14 115.95 118.59 2c3u h TRP 844 Ca -0.11 0.00 -0.16 0.00 1.08 0.00 0.00 58.89 59.70 2c3u h TRP 844 Cb 1.50 0.00 -0.01 0.00 -3.00 0.00 0.00 29.16 27.65 2c3u h TRP 844 CO 0.16 0.56 -0.69 0.78 -1.28 0.00 0.00 178.44 177.98 2c3u h GLY 845 N 3.45 0.24 -5.10 11.11 0.00 -1.38 -3.33 103.07 108.05 2c3u h GLY 845 Ca -0.01 -0.33 -0.26 0.00 0.00 0.00 0.00 47.33 46.73 2c3u h GLY 845 CO 0.07 0.29 -0.51 0.00 0.00 0.00 0.00 176.54 176.39 2c3u n ALA 846 N -2.46 -0.07 -2.55 3.60 0.00 -0.21 -4.19 120.51 114.62 2c3u n ALA 846 Ca -0.03 -1.66 -0.43 0.00 0.00 0.00 0.00 53.44 51.33 2c3u n ALA 846 Cb 0.67 -1.10 -0.07 0.00 0.00 0.00 0.00 19.45 18.95 2c3u n ALA 846 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 2c3u s SER 847 N -1.41 6.29 0.31 0.00 0.01 -1.19 -4.89 113.70 112.81 2c3u s SER 847 Ca 0.24 -0.48 -0.28 0.00 1.31 0.00 0.00 55.95 56.74 2c3u s SER 847 Cb 0.32 -2.30 -0.13 0.00 0.21 0.00 0.00 66.02 64.12 2c3u s SER 847 CO -0.06 -0.77 1.11 0.00 0.41 0.00 0.00 173.24 173.94 2c3u n ALA 848 N 6.16 0.36 0.61 1.44 0.00 -1.26 -1.05 120.51 126.76 2c3u n ALA 848 Ca -0.03 0.37 0.11 0.00 0.00 0.00 0.00 53.44 53.89 2c3u n ALA 848 Cb 0.47 -2.11 0.27 0.00 0.00 0.00 0.00 19.45 18.09 2c3u n ALA 848 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 2c3u n PRO 849 N 0.64 2.20 -2.82 0.00 -0.04 -1.26 -5.02 135.00 128.70 2c3u n PRO 849 Ca 0.08 -1.82 -0.42 0.00 -0.04 0.00 0.00 63.50 61.29 2c3u n PRO 849 Cb 0.34 -1.45 -0.04 0.00 -0.04 0.00 0.00 33.50 32.30 2c3u n PRO 849 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2c3u s SER 850 N -1.41 6.71 -0.33 3.54 0.15 -0.21 -4.82 113.70 117.32 2c3u s SER 850 Ca 0.36 0.66 0.01 0.00 0.70 0.00 0.00 55.95 57.68 2c3u s SER 850 Cb 0.20 -2.46 0.08 0.00 -1.71 0.00 0.00 66.02 62.14 2c3u s SER 850 CO 0.28 -0.80 0.04 -0.04 1.20 0.00 0.00 173.24 173.92 2c3u s MET 851 N 3.36 1.94 0.24 5.44 -1.94 -1.26 -3.56 119.30 123.52 2c3u s MET 851 Ca 0.38 -1.63 0.04 0.00 -1.71 0.00 0.00 55.69 52.77 2c3u s MET 851 Cb -0.13 -3.21 0.27 0.00 2.01 0.00 0.00 34.83 33.78 2c3u s MET 851 CO 0.17 -0.83 1.58 -1.00 -0.01 0.00 0.00 175.02 174.93 2c3u h PRO 852 N 7.81 0.25 -6.77 2.03 0.13 -1.77 -2.77 132.00 130.91 2c3u h PRO 852 Ca -0.12 -0.16 -0.52 0.00 -0.87 0.00 0.00 66.00 64.32 2c3u h PRO 852 Cb 1.04 0.02 0.05 0.00 0.13 0.00 0.00 31.00 32.24 2c3u h PRO 852 CO 0.55 0.75 0.65 0.71 -0.23 0.00 0.00 178.00 180.43 2c3u s TYR 853 N -3.82 3.17 0.23 1.56 1.51 -1.26 -1.05 117.35 117.70 2c3u s TYR 853 Ca -0.04 1.30 0.00 0.00 -1.01 0.00 0.00 57.07 57.33 2c3u s TYR 853 Cb 0.12 -3.64 -0.04 0.00 -0.11 0.00 0.00 41.96 38.29 2c3u s TYR 853 CO 0.80 -1.88 0.13 -1.59 -1.11 0.00 0.00 175.55 171.89 2c3u s LYS 854 N -0.89 1.32 0.32 -0.62 -2.85 0.46 -0.09 119.74 117.39 2c3u s LYS 854 Ca 0.53 -1.71 0.01 0.00 -1.00 0.00 0.00 55.97 53.79 2c3u s LYS 854 Cb -0.38 0.09 -0.03 0.00 -2.06 0.00 0.00 37.83 35.44 2c3u s LYS 854 CO 0.45 -0.38 0.52 0.95 0.10 0.00 0.00 175.35 176.98 2c3u s THR 855 N -3.96 5.13 0.33 3.79 -4.23 -1.26 -4.46 115.64 110.98 2c3u s THR 855 Ca 0.38 -0.50 -0.04 0.00 -1.18 0.00 0.00 61.69 60.36 2c3u s THR 855 Cb 0.07 -3.85 0.07 0.00 1.34 0.00 0.00 72.50 70.13 2c3u s THR 855 CO 0.14 -0.50 0.45 -0.46 -0.54 0.00 0.00 174.62 173.71 2c3u n ASN 856 N -1.63 0.24 -0.02 3.99 0.23 0.16 -4.84 115.26 113.39 2c3u n ASN 856 Ca -0.05 -1.29 0.18 0.00 -0.53 0.00 0.00 54.58 52.89 2c3u n ASN 856 Cb 0.56 -0.32 0.64 0.00 -2.08 0.00 0.00 39.78 38.58 2c3u n ASN 856 CO 0.00 0.00 0.00 0.08 -0.93 0.00 0.00 177.26 176.41 2c3u h ARG 857 N 0.00 0.10 -0.07 -3.83 0.11 -2.00 0.23 114.38 108.93 2c3u h ARG 857 Ca -0.15 -0.01 0.00 0.00 0.10 0.00 0.00 59.98 59.93 2c3u h ARG 857 Cb 0.45 -0.02 0.00 0.00 1.11 0.00 0.00 29.97 31.51 2c3u h ARG 857 CO 0.12 0.07 0.00 1.28 0.10 0.00 0.00 179.97 181.54 2c3u n LEU 858 N -4.41 1.32 0.00 0.08 4.32 -1.26 -4.91 117.00 112.13 2c3u n LEU 858 Ca 0.10 -0.49 0.00 0.00 -0.02 0.00 0.00 56.01 55.60 2c3u n LEU 858 Cb 0.55 -0.04 0.00 0.00 -1.62 0.00 0.00 43.42 42.31 2c3u n LEU 858 CO 0.36 0.25 0.00 0.61 -1.22 0.00 0.00 177.39 177.38 2c3u n GLY 859 N 1.12 0.56 3.89 -0.72 0.00 0.07 -5.04 105.19 105.06 2c3u n GLY 859 Ca 0.18 -0.24 -0.33 0.00 0.00 0.00 0.00 46.02 45.63 2c3u n GLY 859 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2c3u s GLN 860 N -0.57 3.62 -0.12 1.61 -0.21 -1.26 -4.76 119.66 117.98 2c3u s GLN 860 Ca 0.00 -0.05 -0.33 0.00 0.02 0.00 0.00 55.36 54.99 2c3u s GLN 860 Cb 0.00 -2.98 0.14 0.00 1.00 0.00 0.00 33.01 31.18 2c3u s GLN 860 CO 0.00 0.56 1.39 0.20 -2.12 0.00 0.00 175.29 175.32 2c3u s GLY 861 N -2.03 -0.42 0.08 3.09 0.00 -1.26 0.41 107.32 107.17 2c3u s GLY 861 Ca 0.34 1.10 -0.36 0.00 0.00 0.00 0.00 44.72 45.81 2c3u s GLY 861 CO 0.20 0.26 1.51 -1.05 0.00 0.00 0.00 173.10 174.03 2c3u n PRO 862 N -0.39 1.66 -2.93 2.90 -0.02 -1.02 -4.74 135.00 130.45 2c3u n PRO 862 Ca -0.07 0.60 -0.43 0.00 -2.02 0.00 0.00 63.50 61.58 2c3u n PRO 862 Cb 0.62 -2.32 -0.05 0.00 -0.02 0.00 0.00 33.50 31.74 2c3u n PRO 862 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2c3u s ALA 863 N 1.17 3.23 -0.13 3.55 0.00 -0.43 -4.95 121.76 124.21 2c3u s ALA 863 Ca 0.84 -1.36 -0.05 0.00 0.00 0.00 0.00 51.96 51.39 2c3u s ALA 863 Cb -0.82 -3.61 -0.04 0.00 0.00 0.00 0.00 23.12 18.65 2c3u s ALA 863 CO 0.45 -2.25 0.05 -0.46 0.00 0.00 0.00 175.76 173.55 2c3u s TRP 864 N 3.54 3.28 -0.06 0.00 -0.00 -1.26 -0.45 118.94 123.99 2c3u s TRP 864 Ca 0.26 0.19 -0.12 0.00 -0.00 0.00 0.00 56.10 56.43 2c3u s TRP 864 Cb -0.14 -1.93 0.02 0.00 -0.00 0.00 0.00 33.47 31.42 2c3u s TRP 864 CO 0.17 0.38 0.28 0.20 -0.00 0.00 0.00 176.95 177.99 2c3u s GLY 865 N -0.39 -0.16 -0.23 5.86 0.00 -0.03 -4.97 107.32 107.40 2c3u s GLY 865 Ca 0.09 0.51 0.02 0.00 0.00 0.00 0.00 44.72 45.34 2c3u s GLY 865 CO 0.02 0.35 -0.14 0.21 0.00 0.00 0.00 173.10 173.54 2c3u s ASN 866 N -0.64 3.87 0.00 1.64 2.47 -1.26 0.07 114.94 121.10 2c3u s ASN 866 Ca -0.07 -1.08 0.00 0.00 0.42 0.00 0.00 52.86 52.12 2c3u s ASN 866 Cb -0.04 -1.49 0.00 0.00 -1.45 0.00 0.00 41.25 38.27 2c3u s ASN 866 CO 0.02 -0.12 0.00 -0.24 -3.72 0.00 0.00 177.10 173.04 2c3u n SER 867 N 4.53 0.00 -2.75 -4.21 2.88 -1.26 -5.02 113.62 107.79 2c3u n SER 867 Ca -0.16 0.00 -0.13 0.00 -1.33 0.00 0.00 58.87 57.24 2c3u n SER 867 Cb 0.45 0.00 -0.04 0.00 -0.75 0.00 0.00 64.21 63.88 2c3u n SER 867 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 2c3u n LEU 868 N -0.20 0.00 0.10 2.46 4.77 -1.26 -4.99 117.00 117.87 2c3u n LEU 868 Ca 0.00 -1.64 -0.21 0.00 -0.03 0.00 0.00 56.01 54.13 2c3u n LEU 868 Cb 0.00 0.54 -0.15 0.00 -2.33 0.00 0.00 43.42 41.48 2c3u n LEU 868 CO 0.00 -0.25 -0.33 0.15 -1.33 0.00 0.00 177.39 175.62 2c3u h PHE 869 N 1.35 0.69 0.00 -1.77 3.57 -1.93 -3.12 116.94 115.73 2c3u h PHE 869 Ca -0.17 -0.50 0.00 0.00 3.53 0.00 0.00 57.97 60.83 2c3u h PHE 869 Cb 0.64 -0.03 0.00 0.00 2.79 0.00 0.00 35.95 39.35 2c3u h PHE 869 CO 0.00 1.51 -0.23 1.05 -2.23 0.00 0.00 178.31 178.41 2c3u h GLU 870 N 0.10 0.00 -0.21 1.11 9.09 -1.95 -3.40 114.58 119.33 2c3u h GLU 870 Ca -0.26 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.15 2c3u h GLU 870 Cb 2.08 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 29.18 2c3u h GLU 870 CO 0.20 0.00 0.00 -0.40 0.05 0.00 0.00 179.01 178.86 2c3u n ASP 871 N -2.76 3.23 -0.17 3.06 3.85 -1.26 -4.28 116.55 118.22 2c3u n ASP 871 Ca 0.04 -2.73 -0.02 0.00 -0.71 0.00 0.00 54.79 51.37 2c3u n ASP 871 Cb 0.50 -0.41 0.06 0.00 -1.35 0.00 0.00 41.12 39.92 2c3u n ASP 871 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 2c3u h ALA 872 N 1.35 0.45 -0.19 2.12 0.00 -1.76 -0.05 119.26 121.17 2c3u h ALA 872 Ca 0.00 0.18 0.02 0.00 0.00 0.00 0.00 54.91 55.11 2c3u h ALA 872 Cb 1.13 0.33 -0.02 0.00 0.00 0.00 0.00 17.79 19.23 2c3u h ALA 872 CO 0.11 -0.41 0.08 0.00 0.00 0.00 0.00 179.25 179.04 2c3u h ALA 873 N 1.50 0.22 -0.64 0.00 0.00 -1.88 -1.49 119.26 116.97 2c3u h ALA 873 Ca 0.27 0.01 -0.03 0.00 0.00 0.00 0.00 54.91 55.16 2c3u h ALA 873 Cb 0.42 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.16 2c3u h ALA 873 CO -0.49 -0.34 0.26 0.93 0.00 0.00 0.00 179.25 179.61 2c3u h GLU 874 N 0.18 0.94 -0.39 0.00 3.07 -1.67 0.46 114.58 117.17 2c3u h GLU 874 Ca 0.08 -0.15 -0.00 0.00 -0.50 0.00 0.00 59.36 58.79 2c3u h GLU 874 Cb 0.03 -0.16 -0.02 0.00 -0.84 0.00 0.00 28.75 27.76 2c3u h GLU 874 CO -0.07 0.76 0.24 -0.92 -1.40 0.00 0.00 179.01 177.62 2c3u h TYR 875 N 0.92 0.51 -0.60 4.33 3.20 -0.74 -0.37 116.97 124.22 2c3u h TYR 875 Ca 0.22 0.00 -0.10 0.00 3.14 0.00 0.00 58.73 61.99 2c3u h TYR 875 Cb 0.17 -0.17 -0.02 0.00 1.54 0.00 0.00 36.73 38.25 2c3u h TYR 875 CO 0.01 0.35 -0.00 0.78 -1.64 0.00 0.00 178.16 177.66 2c3u h GLY 876 N 0.52 1.15 1.40 1.82 0.00 -0.67 -2.04 103.07 105.24 2c3u h GLY 876 Ca 0.14 -0.84 0.02 0.00 0.00 0.00 0.00 47.33 46.65 2c3u h GLY 876 CO -0.03 0.77 0.36 -2.75 0.00 0.00 0.00 176.54 174.90 2c3u h PHE 877 N 0.97 0.63 -0.34 5.60 3.57 -0.44 -0.02 116.94 126.91 2c3u h PHE 877 Ca 0.17 0.02 -0.06 0.00 3.53 0.00 0.00 57.97 61.63 2c3u h PHE 877 Cb 0.56 -0.21 -0.01 0.00 2.79 0.00 0.00 35.95 39.07 2c3u h PHE 877 CO 0.04 0.38 -0.01 0.78 -2.23 0.00 0.00 178.31 177.27 2c3u h GLY 878 N 0.67 0.66 0.88 2.40 0.00 -0.41 0.15 103.07 107.42 2c3u h GLY 878 Ca 0.21 -0.50 0.03 0.00 0.00 0.00 0.00 47.33 47.08 2c3u h GLY 878 CO -0.05 0.46 0.46 -0.33 0.00 0.00 0.00 176.54 177.07 2c3u h MET 879 N 0.41 0.87 -0.74 4.80 2.86 -0.70 -0.69 114.93 121.74 2c3u h MET 879 Ca 0.09 -0.05 0.00 0.00 -2.06 0.00 0.00 59.70 57.69 2c3u h MET 879 Cb 0.47 -0.20 -0.04 0.00 0.06 0.00 0.00 31.60 31.90 2c3u h MET 879 CO 0.02 0.58 0.47 -0.97 1.06 0.00 0.00 176.91 178.07 2c3u h ASN 880 N 0.90 0.86 -0.69 1.22 -0.73 -0.60 -1.50 115.58 115.03 2c3u h ASN 880 Ca 0.29 -0.03 -0.04 0.00 1.87 0.00 0.00 56.30 58.39 2c3u h ASN 880 Cb 0.01 -0.21 -0.03 0.00 0.27 0.00 0.00 38.32 38.36 2c3u h ASN 880 CO -0.11 0.63 0.28 0.24 -0.37 0.00 0.00 177.43 178.10 2c3u h MET 881 N 1.00 1.03 -0.19 6.67 2.86 0.20 -0.14 114.93 126.36 2c3u h MET 881 Ca 0.27 -0.19 -0.00 0.00 -2.06 0.00 0.00 59.70 57.72 2c3u h MET 881 Cb -0.09 -0.17 -0.01 0.00 0.06 0.00 0.00 31.60 31.39 2c3u h MET 881 CO -0.06 0.85 0.11 1.03 1.06 0.00 0.00 176.91 179.91 2c3u h SER 882 N 0.98 0.23 -0.46 1.22 0.87 -0.73 0.09 113.55 115.74 2c3u h SER 882 Ca 0.23 -0.06 0.02 0.00 -1.23 0.00 0.00 61.79 60.75 2c3u h SER 882 Cb 0.21 -0.06 -0.03 0.00 -0.44 0.00 0.00 62.40 62.08 2c3u h SER 882 CO -0.02 0.21 0.28 0.24 -0.53 0.00 0.00 176.83 177.01 2c3u h MET 883 N 0.22 0.54 -0.37 2.24 2.86 -1.06 0.24 114.93 119.60 2c3u h MET 883 Ca 0.07 -0.03 0.05 0.00 -2.06 0.00 0.00 59.70 57.72 2c3u h MET 883 Cb 0.03 -0.12 -0.04 0.00 0.06 0.00 0.00 31.60 31.53 2c3u h MET 883 CO -0.01 0.36 0.11 0.35 1.06 0.00 0.00 176.91 178.78 2c3u h PHE 884 N 0.56 0.20 -0.24 -0.22 3.57 -0.54 0.79 116.94 121.06 2c3u h PHE 884 Ca 0.18 0.02 -0.08 0.00 3.53 0.00 0.00 57.97 61.62 2c3u h PHE 884 Cb 0.00 -0.04 -0.01 0.00 2.79 0.00 0.00 35.95 38.70 2c3u h PHE 884 CO -0.07 0.07 -0.15 0.00 -2.23 0.00 0.00 178.31 175.93 2c3u h ALA 885 N 1.25 0.34 -0.18 2.41 0.00 -0.52 -1.65 119.26 120.90 2c3u h ALA 885 Ca 0.17 -0.33 -0.18 0.00 0.00 0.00 0.00 54.91 54.57 2c3u h ALA 885 Cb 0.16 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.87 2c3u h ALA 885 CO -0.19 0.23 -0.62 0.00 0.00 0.00 0.00 179.25 178.67 2c3u h ARG 886 N 0.23 0.64 0.00 0.00 3.08 -0.87 -1.67 114.38 115.79 2c3u h ARG 886 Ca 0.05 -0.44 -0.08 0.00 0.07 0.00 0.00 59.98 59.57 2c3u h ARG 886 Cb 0.68 0.07 -0.01 0.00 0.08 0.00 0.00 29.97 30.78 2c3u h ARG 886 CO 0.04 1.06 -0.38 0.00 -1.07 0.00 0.00 179.97 179.62 2c3u h ARG 887 N 0.47 0.00 -0.07 0.04 3.08 -0.90 -1.16 114.38 115.83 2c3u h ARG 887 Ca -0.01 0.00 -0.15 0.00 0.07 0.00 0.00 59.98 59.89 2c3u h ARG 887 Cb 1.20 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.24 2c3u h ARG 887 CO 0.12 0.38 -0.63 1.15 -1.07 0.00 0.00 179.97 179.93 2c3u h THR 888 N 0.00 1.39 0.05 2.04 2.02 -1.17 -0.76 112.91 116.49 2c3u h THR 888 Ca -0.00 -2.02 -0.00 0.00 0.77 0.00 0.00 66.41 65.15 2c3u h THR 888 Cb 1.13 2.02 0.00 0.00 -1.74 0.00 0.00 68.15 69.56 2c3u h THR 888 CO 0.05 0.60 -0.03 -0.74 0.37 0.00 0.00 175.52 175.77 2c3u h HIS 889 N 0.20 -0.07 -0.29 3.16 -0.00 -0.97 -1.39 115.15 115.79 2c3u h HIS 889 Ca -0.01 -0.00 0.06 0.00 -0.00 0.00 0.00 60.37 60.42 2c3u h HIS 889 Cb 1.15 0.02 -0.06 0.00 -0.00 0.00 0.00 27.41 28.52 2c3u h HIS 889 CO 0.03 0.16 -0.14 1.25 -0.00 0.00 0.00 177.93 179.23 2c3u h LEU 890 N -0.30 -0.46 -0.93 0.26 5.85 -1.02 0.19 115.31 118.91 2c3u h LEU 890 Ca -0.01 0.11 0.10 0.00 0.84 0.00 0.00 57.88 58.92 2c3u h LEU 890 Cb 0.26 0.26 -0.08 0.00 0.37 0.00 0.00 40.66 41.47 2c3u h LEU 890 CO 0.01 -0.17 0.57 0.00 -0.34 0.00 0.00 178.44 178.51 2c3u h ALA 891 N 1.14 1.35 -0.34 1.25 0.00 -1.02 0.43 119.26 122.08 2c3u h ALA 891 Ca 0.15 0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.07 2c3u h ALA 891 Cb 0.32 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 2c3u h ALA 891 CO -0.35 0.21 0.19 0.22 0.00 0.00 0.00 179.25 179.52 2c3u h ASP 892 N 0.94 0.42 -0.66 0.00 1.82 -0.07 0.16 116.42 119.02 2c3u h ASP 892 Ca 0.44 -0.07 -0.08 0.00 -0.39 0.00 0.00 57.03 56.93 2c3u h ASP 892 Cb 0.38 -0.11 -0.03 0.00 0.68 0.00 0.00 39.33 40.26 2c3u h ASP 892 CO -0.24 0.37 0.09 -0.07 -1.61 0.00 0.00 179.24 177.78 2c3u h LEU 893 N 0.43 1.07 -0.08 2.28 4.07 0.41 -1.90 115.31 121.59 2c3u h LEU 893 Ca 0.12 -0.26 -0.00 0.00 0.08 0.00 0.00 57.88 57.82 2c3u h LEU 893 Cb 0.04 -0.28 -0.00 0.00 1.08 0.00 0.00 40.66 41.49 2c3u h LEU 893 CO -0.02 1.07 0.05 0.00 -1.08 0.00 0.00 178.44 178.45 2c3u h ALA 894 N 1.05 0.10 -0.65 1.53 0.00 0.33 -0.96 119.26 120.67 2c3u h ALA 894 Ca 0.20 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.09 2c3u h ALA 894 Cb 0.46 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.19 2c3u h ALA 894 CO 0.02 -0.38 0.42 0.00 0.00 0.00 0.00 179.25 179.30 2c3u h ALA 895 N 0.99 1.52 -0.53 0.00 0.00 -0.53 -1.71 119.26 118.99 2c3u h ALA 895 Ca 0.03 -0.05 -0.11 0.00 0.00 0.00 0.00 54.91 54.78 2c3u h ALA 895 Cb 0.03 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.54 2c3u h ALA 895 CO -0.01 0.44 -0.08 0.87 0.00 0.00 0.00 179.25 180.47 2c3u h LYS 896 N 0.89 0.98 0.00 0.00 1.57 -0.90 -2.64 116.57 116.46 2c3u h LYS 896 Ca 0.24 -0.36 -0.03 0.00 -1.87 0.00 0.00 60.65 58.63 2c3u h LYS 896 Cb -0.09 -0.07 -0.00 0.00 0.08 0.00 0.00 32.23 32.15 2c3u h LYS 896 CO -0.05 1.03 -0.15 0.00 -0.57 0.00 0.00 179.45 179.71 2c3u h ALA 897 N 0.92 1.55 -0.20 3.86 0.00 -0.34 -1.16 119.26 123.88 2c3u h ALA 897 Ca 0.14 -0.14 -0.04 0.00 0.00 0.00 0.00 54.91 54.87 2c3u h ALA 897 Cb 0.64 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.39 2c3u h ALA 897 CO 0.04 0.19 -0.07 -0.07 0.00 0.00 0.00 179.25 179.34 2c3u h LEU 898 N 0.00 0.29 -5.10 0.00 3.38 -0.97 -2.71 115.31 110.21 2c3u h LEU 898 Ca -0.00 -0.05 -0.72 0.00 0.09 0.00 0.00 57.88 57.19 2c3u h LEU 898 Cb 0.31 -0.08 -0.25 0.00 0.09 0.00 0.00 40.66 40.73 2c3u h LEU 898 CO 0.02 0.41 0.99 -0.62 0.09 0.00 0.00 178.44 179.33 2c3u n GLU 899 N -4.30 3.11 -3.55 1.13 1.02 -0.44 -4.90 120.64 112.71 2c3u n GLU 899 Ca -0.00 -3.45 -0.13 0.00 -0.02 0.00 0.00 57.16 53.57 2c3u n GLU 899 Cb 0.24 -2.29 -0.03 0.00 -0.02 0.00 0.00 31.44 29.34 2c3u n GLU 899 CO 0.00 0.00 0.00 -1.13 1.18 0.00 0.00 177.13 177.18 2c3u n SER 900 N -0.13 -0.98 -1.47 1.62 3.41 -1.02 -5.01 113.62 110.05 2c3u n SER 900 Ca 0.52 -2.56 -0.09 0.00 -0.26 0.00 0.00 58.87 56.48 2c3u n SER 900 Cb 0.30 1.88 0.08 0.00 -0.26 0.00 0.00 64.21 66.20 2c3u n SER 900 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 2c3u n ASP 901 N -1.78 3.28 -4.75 4.04 3.85 -1.26 -4.93 116.55 115.00 2c3u n ASP 901 Ca 0.02 -2.63 -0.37 0.00 -0.71 0.00 0.00 54.79 51.10 2c3u n ASP 901 Cb 0.47 -0.63 0.03 0.00 -1.35 0.00 0.00 41.12 39.64 2c3u n ASP 901 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 2c3u s ALA 902 N -1.34 2.70 0.92 2.12 0.00 -1.26 -4.94 121.76 119.95 2c3u s ALA 902 Ca 0.23 1.16 -0.12 0.00 0.00 0.00 0.00 51.96 53.23 2c3u s ALA 902 Cb 0.19 -3.50 0.09 0.00 0.00 0.00 0.00 23.12 19.90 2c3u s ALA 902 CO 0.05 -1.23 0.80 -1.13 0.00 0.00 0.00 175.76 174.25 2c3u n SER 903 N -1.24 -0.77 -0.33 0.00 3.41 -1.26 -4.70 113.62 108.74 2c3u n SER 903 Ca 0.12 0.39 -0.00 0.00 -0.26 0.00 0.00 58.87 59.12 2c3u n SER 903 Cb 0.47 -1.35 0.13 0.00 -0.26 0.00 0.00 64.21 63.20 2c3u n SER 903 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 2c3u h GLY 904 N -1.66 1.32 0.82 5.00 0.00 -1.99 -1.32 103.07 105.24 2c3u h GLY 904 Ca -0.43 -0.42 -0.01 0.00 0.00 0.00 0.00 47.33 46.46 2c3u h GLY 904 CO 0.38 0.33 -0.12 -0.55 0.00 0.00 0.00 176.54 176.59 2c3u h ASP 905 N 1.07 -0.27 -0.26 0.19 3.45 -1.99 -0.80 116.42 117.81 2c3u h ASP 905 Ca 0.37 -0.12 0.06 0.00 0.43 0.00 0.00 57.03 57.77 2c3u h ASP 905 Cb 0.08 0.07 -0.07 0.00 -0.56 0.00 0.00 39.33 38.85 2c3u h ASP 905 CO -0.14 -0.04 -0.20 0.58 -1.57 0.00 0.00 179.24 177.87 2c3u h VAL 906 N -0.51 0.46 -1.00 -1.35 2.07 -1.87 0.42 116.25 114.47 2c3u h VAL 906 Ca -0.03 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.58 2c3u h VAL 906 Cb 0.38 0.46 -0.07 0.00 -1.52 0.00 0.00 31.29 30.53 2c3u h VAL 906 CO 0.05 0.00 0.64 0.11 0.02 0.00 0.00 177.57 178.39 2c3u h LYS 907 N -0.19 1.05 -0.64 1.57 1.57 -1.18 0.32 116.57 119.07 2c3u h LYS 907 Ca 0.14 -0.06 -0.04 0.00 -1.87 0.00 0.00 60.65 58.82 2c3u h LYS 907 Cb 0.41 -0.24 -0.03 0.00 0.08 0.00 0.00 32.23 32.45 2c3u h LYS 907 CO -0.38 0.70 0.25 1.49 -0.57 0.00 0.00 179.45 180.94 2c3u h GLU 908 N 1.08 0.96 -0.27 3.15 4.81 0.41 0.12 114.58 124.84 2c3u h GLU 908 Ca 0.46 -0.18 -0.11 0.00 -0.13 0.00 0.00 59.36 59.41 2c3u h GLU 908 Cb 0.32 -0.15 -0.00 0.00 0.63 0.00 0.00 28.75 29.55 2c3u h GLU 908 CO -0.21 0.81 -0.25 0.00 -0.73 0.00 0.00 179.01 178.63 2c3u h ALA 909 N 1.10 0.39 -0.45 2.92 0.00 0.38 -1.04 119.26 122.55 2c3u h ALA 909 Ca 0.21 -0.38 0.02 0.00 0.00 0.00 0.00 54.91 54.76 2c3u h ALA 909 Cb 0.22 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.89 2c3u h ALA 909 CO -0.02 0.37 0.28 -0.07 0.00 0.00 0.00 179.25 179.81 2c3u h LEU 910 N 0.37 0.45 -1.24 0.00 4.07 -0.23 0.20 115.31 118.93 2c3u h LEU 910 Ca 0.05 0.00 -0.06 0.00 0.08 0.00 0.00 57.88 57.95 2c3u h LEU 910 Cb 0.80 -0.10 -0.01 0.00 1.08 0.00 0.00 40.66 42.43 2c3u h LEU 910 CO 0.06 0.33 -0.12 -0.61 -1.08 0.00 0.00 178.44 177.02 2c3u h GLN 911 N 0.56 0.38 -0.31 1.13 5.75 -0.68 -0.73 115.11 121.20 2c3u h GLN 911 Ca 0.18 -0.10 -0.17 0.00 -0.15 0.00 0.00 58.65 58.42 2c3u h GLN 911 Cb -0.00 -0.05 -0.00 0.00 1.07 0.00 0.00 27.48 28.50 2c3u h GLN 911 CO -0.07 0.50 -0.46 0.78 -2.65 0.00 0.00 178.83 176.93 2c3u h GLY 912 N 0.85 0.94 0.81 2.39 0.00 -0.14 -2.67 103.07 105.24 2c3u h GLY 912 Ca 0.07 -1.04 -0.00 0.00 0.00 0.00 0.00 47.33 46.36 2c3u h GLY 912 CO 0.02 0.94 -0.01 -0.25 0.00 0.00 0.00 176.54 177.24 2c3u h TRP 913 N 0.64 -0.03 -0.73 5.60 7.01 -0.20 -2.10 115.95 126.13 2c3u h TRP 913 Ca 0.03 -0.00 0.14 0.00 2.11 0.00 0.00 58.89 61.16 2c3u h TRP 913 Cb 1.06 0.01 -0.09 0.00 -2.10 0.00 0.00 29.16 28.04 2c3u h TRP 913 CO 0.07 0.16 0.28 -0.07 -2.79 0.00 0.00 178.44 176.10 2c3u h LEU 914 N -0.23 0.26 -1.27 0.65 -0.00 -1.16 0.81 115.31 114.37 2c3u h LEU 914 Ca -0.00 0.11 -0.03 0.00 -0.00 0.00 0.00 57.88 57.95 2c3u h LEU 914 Cb 0.21 0.09 -0.00 0.00 -0.00 0.00 0.00 40.66 40.96 2c3u h LEU 914 CO 0.01 0.10 -0.14 0.00 -0.00 0.00 0.00 178.44 178.41 2c3u h ALA 915 N 1.53 1.03 -0.04 1.53 0.00 -1.29 -3.20 119.26 118.83 2c3u h ALA 915 Ca 0.40 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 55.18 2c3u h ALA 915 Cb 0.59 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.36 2c3u h ALA 915 CO -0.40 0.18 0.00 0.41 0.00 0.00 0.00 179.25 179.44 2c3u n GLY 916 N 0.07 4.07 0.34 0.00 0.00 -0.03 -4.83 105.19 104.80 2c3u n GLY 916 Ca 0.00 -0.70 0.13 0.00 0.00 0.00 0.00 46.02 45.45 2c3u n GLY 916 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 2c3u h LYS 917 N 0.23 0.02 -0.62 1.61 2.10 0.55 0.11 116.57 120.57 2c3u h LYS 917 Ca 0.00 -0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 2c3u h LYS 917 Cb 0.84 -0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.17 2c3u h LYS 917 CO 0.02 0.01 0.00 0.09 -2.00 0.00 0.00 179.45 177.57 2c3u n ASN 918 N -5.48 5.22 -4.25 7.07 5.03 -1.26 -4.11 115.26 117.48 2c3u n ASN 918 Ca 0.22 -2.77 -0.34 0.00 0.87 0.00 0.00 54.58 52.55 2c3u n ASN 918 Cb 0.71 -0.65 -0.15 0.00 -1.02 0.00 0.00 39.78 38.67 2c3u n ASN 918 CO 0.00 0.00 0.00 -0.62 -1.83 0.00 0.00 177.26 174.81 2c3u s ASP 919 N -0.75 4.02 0.25 6.41 -1.08 0.38 -4.98 116.67 120.92 2c3u s ASP 919 Ca 0.50 -0.53 -0.04 0.00 -0.52 0.00 0.00 52.55 51.96 2c3u s ASP 919 Cb 0.37 -1.67 0.50 0.00 -1.46 0.00 0.00 42.92 40.66 2c3u s ASP 919 CO 0.17 -0.03 1.66 -0.65 0.52 0.00 0.00 175.17 176.84 2c3u h PRO 920 N 8.06 0.20 0.56 4.34 0.11 -1.87 0.91 132.00 144.30 2c3u h PRO 920 Ca -0.41 -0.01 -0.03 0.00 0.11 0.00 0.00 66.00 65.66 2c3u h PRO 920 Cb 1.15 -0.04 0.01 0.00 0.11 0.00 0.00 31.00 32.22 2c3u h PRO 920 CO 0.61 0.13 -0.27 0.82 -0.21 0.00 0.00 178.00 179.08 2c3u h ILE 921 N 0.20 0.10 -0.51 4.15 5.03 -1.95 -3.02 117.51 121.51 2c3u h ILE 921 Ca 0.44 -0.45 -0.10 0.00 -0.12 0.00 0.00 64.86 64.63 2c3u h ILE 921 Cb 0.78 0.15 -0.02 0.00 -3.03 0.00 0.00 36.82 34.71 2c3u h ILE 921 CO -0.58 0.02 -0.09 0.11 -0.68 0.00 0.00 178.15 176.93 2c3u h LYS 922 N -1.16 0.96 -0.95 2.37 1.79 -1.80 -0.33 116.57 117.45 2c3u h LYS 922 Ca -0.08 -0.35 0.01 0.00 -2.18 0.00 0.00 60.65 58.06 2c3u h LYS 922 Cb 0.61 -0.06 -0.05 0.00 -1.58 0.00 0.00 32.23 31.15 2c3u h LYS 922 CO 0.13 1.02 0.63 0.66 -1.08 0.00 0.00 179.45 180.80 2c3u h SER 923 N 0.82 1.09 -0.21 0.86 4.64 -0.62 0.65 113.55 120.78 2c3u h SER 923 Ca 0.13 -0.03 -0.18 0.00 -0.47 0.00 0.00 61.79 61.25 2c3u h SER 923 Cb 0.64 -0.27 0.00 0.00 -0.31 0.00 0.00 62.40 62.46 2c3u h SER 923 CO 0.04 0.79 -0.56 0.50 -0.87 0.00 0.00 176.83 176.73 2c3u h LYS 924 N 1.29 0.74 0.14 4.77 3.64 -1.38 0.32 116.57 126.09 2c3u h LYS 924 Ca 0.35 -0.53 0.00 0.00 -1.27 0.00 0.00 60.65 59.21 2c3u h LYS 924 Cb -0.14 0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 31.76 2c3u h LYS 924 CO -0.08 1.15 -0.12 1.49 -2.27 0.00 0.00 179.45 179.62 2c3u h GLU 925 N 0.47 -0.27 0.00 1.90 4.81 -0.32 0.11 114.58 121.28 2c3u h GLU 925 Ca -0.01 0.02 -0.19 0.00 -0.13 0.00 0.00 59.36 59.05 2c3u h GLU 925 Cb 1.18 0.06 -0.02 0.00 0.63 0.00 0.00 28.75 30.61 2c3u h GLU 925 CO 0.12 -0.18 -0.86 1.88 -0.73 0.00 0.00 179.01 179.24 2c3u h TYR 926 N -0.28 0.19 -0.50 0.92 -1.99 -0.97 -3.13 116.97 111.21 2c3u h TYR 926 Ca -0.00 -0.11 -0.04 0.00 2.00 0.00 0.00 58.73 60.59 2c3u h TYR 926 Cb 0.25 -0.02 -0.02 0.00 2.00 0.00 0.00 36.73 38.94 2c3u h TYR 926 CO -0.11 0.92 0.18 0.78 -0.00 0.00 0.00 178.16 179.93 2c3u h GLY 927 N 2.06 0.82 1.52 3.88 0.00 -0.79 -2.03 103.07 108.53 2c3u h GLY 927 Ca -0.03 -0.47 0.02 0.00 0.00 0.00 0.00 47.33 46.85 2c3u h GLY 927 CO 0.13 0.44 0.28 -0.55 0.00 0.00 0.00 176.54 176.83 2c3u h ASP 928 N 0.68 0.41 -0.40 0.19 3.32 -0.79 -1.07 116.42 118.76 2c3u h ASP 928 Ca 0.16 -0.01 -0.14 0.00 0.02 0.00 0.00 57.03 57.06 2c3u h ASP 928 Cb 0.24 -0.10 -0.01 0.00 0.22 0.00 0.00 39.33 39.68 2c3u h ASP 928 CO -0.01 0.29 -0.31 0.11 -1.72 0.00 0.00 179.24 177.61 2c3u h LYS 929 N 0.48 0.92 -0.43 3.56 1.57 -1.35 -2.79 116.57 118.54 2c3u h LYS 929 Ca 0.16 -0.45 0.02 0.00 -1.87 0.00 0.00 60.65 58.51 2c3u h LYS 929 Cb 0.06 -0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.34 2c3u h LYS 929 CO -0.04 1.10 0.26 -0.07 -0.57 0.00 0.00 179.45 180.13 2c3u h LEU 930 N 0.74 0.42 -1.19 2.94 -0.00 -0.61 0.27 115.31 117.88 2c3u h LEU 930 Ca 0.08 0.00 0.18 0.00 -0.00 0.00 0.00 57.88 58.14 2c3u h LEU 930 Cb 0.89 -0.09 -0.09 0.00 -0.00 0.00 0.00 40.66 41.38 2c3u h LEU 930 CO 0.08 0.30 0.61 0.11 -0.00 0.00 0.00 178.44 179.54 2c3u h LYS 931 N 0.52 0.66 0.08 1.13 1.57 -1.12 0.21 116.57 119.62 2c3u h LYS 931 Ca 0.17 -0.04 -0.00 0.00 -1.87 0.00 0.00 60.65 58.90 2c3u h LYS 931 Cb -0.00 -0.15 0.00 0.00 0.08 0.00 0.00 32.23 32.16 2c3u h LYS 931 CO -0.07 0.44 -0.04 0.87 -0.57 0.00 0.00 179.45 180.08 2c3u h LYS 932 N 0.68 -0.10 -0.77 3.15 1.57 -0.99 -3.07 116.57 117.04 2c3u h LYS 932 Ca 0.52 0.01 0.04 0.00 -1.87 0.00 0.00 60.65 59.35 2c3u h LYS 932 Cb 0.91 0.02 -0.05 0.00 0.08 0.00 0.00 32.23 33.19 2c3u h LYS 932 CO -0.28 0.36 0.48 -0.07 -0.57 0.00 0.00 179.45 179.37 2c3u h LEU 933 N -0.95 0.78 -1.49 2.94 3.38 -0.14 -2.83 115.31 117.01 2c3u h LEU 933 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 2c3u h LEU 933 Cb 0.51 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.10 2c3u h LEU 933 CO 0.02 0.53 0.00 0.18 0.09 0.00 0.00 178.44 179.26 2c3u n LEU 934 N -4.63 2.19 -4.63 1.67 4.77 0.70 -4.96 117.00 112.10 2c3u n LEU 934 Ca 0.09 -1.03 -0.46 0.00 -0.03 0.00 0.00 56.01 54.59 2c3u n LEU 934 Cb 0.11 -0.22 -0.03 0.00 -2.33 0.00 0.00 43.42 40.95 2c3u n LEU 934 CO 0.32 0.51 0.83 0.00 -1.33 0.00 0.00 177.39 177.73 2c3u n ALA 935 N 0.68 0.30 0.00 -1.18 0.00 -1.07 -1.59 120.51 117.65 2c3u n ALA 935 Ca 0.15 0.42 0.00 0.00 0.00 0.00 0.00 53.44 54.01 2c3u n ALA 935 Cb 0.37 -2.15 0.00 0.00 0.00 0.00 0.00 19.45 17.67 2c3u n ALA 935 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2c3u n GLY 936 N 1.82 2.76 3.72 0.00 0.00 -1.26 -4.98 105.19 107.25 2c3u n GLY 936 Ca 0.12 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.72 2c3u n GLY 936 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2c3u s GLN 937 N 0.00 4.13 0.00 1.61 2.00 -0.62 -4.91 119.66 121.87 2c3u s GLN 937 Ca 0.00 2.58 0.00 0.00 -2.00 0.00 0.00 55.36 55.94 2c3u s GLN 937 Cb 0.00 -3.07 0.00 0.00 0.80 0.00 0.00 33.01 30.74 2c3u s GLN 937 CO 0.00 -0.72 0.44 1.63 -0.50 0.00 0.00 175.29 176.14 2c3u n LYS 938 N 3.69 0.24 -4.36 1.67 5.02 -1.26 -4.59 118.16 118.57 2c3u n LYS 938 Ca 0.14 -0.48 -0.25 0.00 -2.02 0.00 0.00 58.31 55.70 2c3u n LYS 938 Cb 0.36 -0.56 -0.12 0.00 -0.02 0.00 0.00 35.03 34.69 2c3u n LYS 938 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2c3u s ASP 939 N -0.09 3.00 0.77 4.39 1.11 -1.26 -4.78 116.67 119.81 2c3u s ASP 939 Ca 0.00 -0.81 0.00 0.00 0.18 0.00 0.00 52.55 51.92 2c3u s ASP 939 Cb 0.00 -0.20 0.00 0.00 1.07 0.00 0.00 42.92 43.79 2c3u s ASP 939 CO 0.00 0.07 0.00 0.61 1.18 0.00 0.00 175.17 177.03 2c3u n GLY 940 N 0.52 0.87 0.34 0.21 0.00 -1.26 -1.67 105.19 104.19 2c3u n GLY 940 Ca -0.15 -0.82 -0.12 0.00 0.00 0.00 0.00 46.02 44.93 2c3u n GLY 940 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2c3u h LEU 941 N 0.00 -0.95 -1.34 0.99 3.38 -1.98 -1.43 115.31 113.98 2c3u h LEU 941 Ca 0.00 0.12 0.18 0.00 0.09 0.00 0.00 57.88 58.27 2c3u h LEU 941 Cb 0.00 0.38 -0.08 0.00 0.09 0.00 0.00 40.66 41.05 2c3u h LEU 941 CO 0.00 -0.39 0.59 -0.07 0.09 0.00 0.00 178.44 178.66 2c3u h LEU 942 N -0.49 0.57 -0.43 1.67 4.07 -1.96 0.71 115.31 119.45 2c3u h LEU 942 Ca 0.05 0.05 -0.06 0.00 0.08 0.00 0.00 57.88 58.01 2c3u h LEU 942 Cb 0.56 -0.05 -0.02 0.00 1.08 0.00 0.00 40.66 42.23 2c3u h LEU 942 CO -0.25 0.24 0.05 1.23 -1.08 0.00 0.00 178.44 178.64 2c3u h GLY 943 N 0.57 0.78 0.98 0.83 0.00 -0.37 0.21 103.07 106.07 2c3u h GLY 943 Ca 0.48 -0.53 -0.04 0.00 0.00 0.00 0.00 47.33 47.24 2c3u h GLY 943 CO -0.23 0.49 0.16 1.46 0.00 0.00 0.00 176.54 178.43 2c3u h GLN 944 N 0.57 0.80 -0.74 4.80 4.20 -0.14 -1.79 115.11 122.81 2c3u h GLN 944 Ca 0.13 -0.17 -0.06 0.00 0.06 0.00 0.00 58.65 58.60 2c3u h GLN 944 Cb 0.41 -0.12 -0.03 0.00 0.30 0.00 0.00 27.48 28.04 2c3u h GLN 944 CO 0.01 0.74 0.22 0.82 -0.67 0.00 0.00 178.83 179.96 2c3u h ILE 945 N 0.71 1.26 -0.87 2.54 2.04 -0.79 -2.77 117.51 119.62 2c3u h ILE 945 Ca 0.17 -0.93 -0.01 0.00 1.00 0.00 0.00 64.86 65.09 2c3u h ILE 945 Cb 0.28 0.46 -0.04 0.00 -0.74 0.00 0.00 36.82 36.77 2c3u h ILE 945 CO -0.01 0.36 0.48 0.00 0.00 0.00 0.00 178.15 178.99 2c3u h ALA 946 N 1.12 1.22 0.00 1.87 0.00 -0.18 -1.82 119.26 121.47 2c3u h ALA 946 Ca 0.24 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 55.03 2c3u h ALA 946 Cb 0.32 -0.35 0.00 0.00 0.00 0.00 0.00 17.79 17.76 2c3u h ALA 946 CO -0.01 0.64 0.00 0.00 0.00 0.00 0.00 179.25 179.88 2c3u n ALA 947 N -2.41 2.11 -1.01 0.00 0.00 -0.71 -3.14 120.51 115.35 2c3u n ALA 947 Ca 0.09 -0.10 0.06 0.00 0.00 0.00 0.00 53.44 53.49 2c3u n ALA 947 Cb 0.09 -1.32 0.29 0.00 0.00 0.00 0.00 19.45 18.52 2c3u n ALA 947 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 2c3u n MET 948 N -1.19 3.38 0.04 0.00 2.00 -0.68 -4.71 117.12 115.96 2c3u n MET 948 Ca 0.11 -2.96 0.19 0.00 0.00 0.00 0.00 57.70 55.04 2c3u n MET 948 Cb 0.13 -1.97 0.71 0.00 0.00 0.00 0.00 33.22 32.08 2c3u n MET 948 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 175.97 176.63 2c3u h SER 949 N 2.33 0.00 0.00 7.83 4.64 -1.67 0.15 113.55 126.83 2c3u h SER 949 Ca 0.03 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.35 2c3u h SER 949 Cb 1.66 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.75 2c3u h SER 949 CO 0.34 0.00 0.00 -0.90 -0.87 0.00 0.00 176.83 175.40 2c3u n ASP 950 N -4.27 0.00 -0.04 4.97 5.68 -1.26 -2.18 116.55 119.45 2c3u n ASP 950 Ca 0.08 -1.48 0.02 0.00 -0.50 0.00 0.00 54.79 52.92 2c3u n ASP 950 Cb 0.56 0.00 -0.01 0.00 -1.14 0.00 0.00 41.12 40.53 2c3u n ASP 950 CO 0.00 0.00 0.00 0.18 -1.33 0.00 0.00 177.20 176.05 2c3u n LEU 951 N -0.62 0.45 0.19 -2.12 4.77 0.52 -4.81 117.00 115.38 2c3u n LEU 951 Ca 0.05 -0.61 -0.15 0.00 -0.03 0.00 0.00 56.01 55.27 2c3u n LEU 951 Cb 0.02 0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 41.04 2c3u n LEU 951 CO 0.03 0.10 0.62 1.88 -1.33 0.00 0.00 177.39 178.70 2c3u h TYR 952 N 0.20 -0.99 -3.36 -1.77 0.99 -1.45 -3.42 116.97 107.16 2c3u h TYR 952 Ca 0.00 0.01 -0.55 0.00 2.00 0.00 0.00 58.73 60.19 2c3u h TYR 952 Cb 0.12 0.40 -0.04 0.00 1.00 0.00 0.00 36.73 38.21 2c3u h TYR 952 CO 0.00 -0.49 0.06 0.95 -0.00 0.00 0.00 178.16 178.68 2c3u s THR 953 N -5.98 4.62 0.21 -2.88 -4.23 -1.26 -4.64 115.64 101.47 2c3u s THR 953 Ca -0.17 1.43 -0.32 0.00 -1.18 0.00 0.00 61.69 61.45 2c3u s THR 953 Cb 0.06 -4.01 -0.14 0.00 1.34 0.00 0.00 72.50 69.76 2c3u s THR 953 CO 0.63 0.52 1.41 1.17 -0.54 0.00 0.00 174.62 177.81 2c3u n LYS 954 N 1.84 1.93 -3.13 3.99 4.81 -1.26 -4.98 118.16 121.37 2c3u n LYS 954 Ca -0.08 0.69 -0.25 0.00 -0.87 0.00 0.00 58.31 57.80 2c3u n LYS 954 Cb 0.50 -2.35 -0.01 0.00 0.02 0.00 0.00 35.03 33.19 2c3u n LYS 954 CO 0.00 0.00 0.00 0.15 1.17 0.00 0.00 177.40 178.72 2c3u s LYS 955 N -0.09 3.51 -0.31 1.64 -0.14 -1.26 -4.82 119.74 118.27 2c3u s LYS 955 Ca 0.72 -0.14 0.03 0.00 -1.36 0.00 0.00 55.97 55.21 2c3u s LYS 955 Cb -0.69 -2.56 0.08 0.00 -1.68 0.00 0.00 37.83 32.97 2c3u s LYS 955 CO 0.47 0.03 -0.02 0.45 -0.76 0.00 0.00 175.35 175.53 2c3u s SER 956 N -4.03 4.66 -0.25 2.83 0.15 0.86 -5.00 113.70 112.91 2c3u s SER 956 Ca 0.43 -1.76 -0.22 0.00 0.70 0.00 0.00 55.95 55.09 2c3u s SER 956 Cb -0.10 -1.61 -0.01 0.00 -1.71 0.00 0.00 66.02 62.59 2c3u s SER 956 CO 0.39 -0.30 0.71 -0.69 1.20 0.00 0.00 173.24 174.56 2c3u s VAL 957 N 1.02 4.92 0.06 4.45 1.01 -1.26 -1.44 120.40 129.16 2c3u s VAL 957 Ca 0.01 1.31 0.10 0.00 0.00 0.00 0.00 61.98 63.39 2c3u s VAL 957 Cb -0.20 -4.01 -0.03 0.00 0.00 0.00 0.00 36.38 32.14 2c3u s VAL 957 CO -0.06 -0.02 -0.27 0.26 0.00 0.00 0.00 175.10 175.01 2c3u s TRP 958 N 2.65 2.32 -0.23 5.22 0.52 -0.17 -0.73 118.94 128.52 2c3u s TRP 958 Ca 0.30 -0.41 0.01 0.00 0.02 0.00 0.00 56.10 56.01 2c3u s TRP 958 Cb -0.15 -1.37 0.03 0.00 -1.15 0.00 0.00 33.47 30.83 2c3u s TRP 958 CO 0.08 0.16 -0.12 0.42 0.02 0.00 0.00 176.95 177.51 2c3u s ILE 959 N -0.85 2.41 -0.04 2.03 -1.09 0.17 -1.08 121.20 122.74 2c3u s ILE 959 Ca 0.12 -1.15 -0.02 0.00 -2.23 0.00 0.00 60.65 57.37 2c3u s ILE 959 Cb -0.10 -2.20 -0.04 0.00 -1.58 0.00 0.00 42.46 38.54 2c3u s ILE 959 CO 0.03 0.27 0.10 -0.36 -1.23 0.00 0.00 174.94 173.74 2c3u s PHE 960 N 1.26 3.37 -0.15 3.97 2.99 -0.74 -0.20 117.98 128.48 2c3u s PHE 960 Ca -0.00 0.29 -0.33 0.00 0.00 0.00 0.00 56.93 56.89 2c3u s PHE 960 Cb -0.16 -1.80 0.13 0.00 0.00 0.00 0.00 43.02 41.19 2c3u s PHE 960 CO -0.08 0.59 1.13 0.20 -0.00 0.00 0.00 175.22 177.07 2c3u s GLY 961 N -1.49 -0.32 0.78 4.36 0.00 -1.01 -0.96 107.32 108.68 2c3u s GLY 961 Ca 0.20 1.53 -0.08 0.00 0.00 0.00 0.00 44.72 46.38 2c3u s GLY 961 CO 0.11 0.53 1.06 0.61 0.00 0.00 0.00 173.10 175.41 2c3u n GLY 962 N -0.07 -0.50 0.21 0.20 0.00 -1.26 -1.18 105.19 102.60 2c3u n GLY 962 Ca -0.02 -1.85 -0.06 0.00 0.00 0.00 0.00 46.02 44.09 2c3u n GLY 962 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 2c3u h ASP 963 N -1.10 0.49 -0.28 1.61 2.03 -1.83 -2.11 116.42 115.23 2c3u h ASP 963 Ca -0.35 -0.22 0.01 0.00 -0.73 0.00 0.00 57.03 55.74 2c3u h ASP 963 Cb 1.08 -0.14 -0.02 0.00 -0.83 0.00 0.00 39.33 39.42 2c3u h ASP 963 CO 0.29 0.86 0.16 1.23 -1.03 0.00 0.00 179.24 180.76 2c3u h GLY 964 N 1.13 0.39 0.98 7.15 0.00 -1.92 0.27 103.07 111.07 2c3u h GLY 964 Ca 0.03 -0.12 -0.00 0.00 0.00 0.00 0.00 47.33 47.24 2c3u h GLY 964 CO 0.08 0.10 -0.01 -0.25 0.00 0.00 0.00 176.54 176.46 2c3u h TRP 965 N 0.33 -0.03 -0.31 5.60 7.01 -1.88 -1.26 115.95 125.41 2c3u h TRP 965 Ca 0.11 -0.00 -0.16 0.00 2.11 0.00 0.00 58.89 60.95 2c3u h TRP 965 Cb 0.01 0.01 -0.00 0.00 -2.10 0.00 0.00 29.16 27.08 2c3u h TRP 965 CO -0.08 0.00 -0.45 0.00 -2.79 0.00 0.00 178.44 175.13 2c3u h ALA 966 N 0.93 0.47 0.00 2.65 0.00 -1.08 0.40 119.26 122.64 2c3u h ALA 966 Ca -0.00 -0.47 -0.07 0.00 0.00 0.00 0.00 54.91 54.36 2c3u h ALA 966 Cb 0.04 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 2c3u h ALA 966 CO 0.01 0.62 -1.21 0.66 0.00 0.00 0.00 179.25 179.32 2c3u n TYR 967 N -4.08 0.94 0.00 0.00 4.02 0.92 -3.68 117.16 115.28 2c3u n TYR 967 Ca -0.04 0.29 0.00 0.00 -0.01 0.00 0.00 57.90 58.14 2c3u n TYR 967 Cb 0.57 -1.00 0.00 0.00 -0.02 0.00 0.00 39.34 38.90 2c3u n TYR 967 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 176.86 175.60 2c3u n ASP 968 N -2.75 0.00 -0.26 7.72 10.43 -0.49 -4.72 116.55 126.48 2c3u n ASP 968 Ca -0.04 0.00 0.06 0.00 2.57 0.00 0.00 54.79 57.38 2c3u n ASP 968 Cb 0.67 0.00 0.29 0.00 1.84 0.00 0.00 41.12 43.92 2c3u n ASP 968 CO 0.00 0.00 0.00 -0.29 -1.07 0.00 0.00 177.20 175.84 2c3u h ILE 969 N 0.00 1.01 -0.48 0.53 2.10 -1.33 -2.47 117.51 116.87 2c3u h ILE 969 Ca 0.00 -0.31 0.00 0.00 1.08 0.00 0.00 64.86 65.63 2c3u h ILE 969 Cb 0.00 0.04 0.00 0.00 -1.09 0.00 0.00 36.82 35.77 2c3u h ILE 969 CO 0.00 0.16 0.00 0.61 -1.08 0.00 0.00 178.15 177.84 2c3u n GLY 970 N -1.42 2.04 0.15 8.18 0.00 0.14 -4.56 105.19 109.72 2c3u n GLY 970 Ca 0.13 -0.68 -0.07 0.00 0.00 0.00 0.00 46.02 45.41 2c3u n GLY 970 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 2c3u h TYR 971 N 3.91 0.19 -0.99 1.61 3.20 -1.27 0.18 116.97 123.79 2c3u h TYR 971 Ca 0.00 0.02 0.11 0.00 3.14 0.00 0.00 58.73 62.00 2c3u h TYR 971 Cb 0.92 -0.04 -0.08 0.00 1.54 0.00 0.00 36.73 39.07 2c3u h TYR 971 CO 0.32 0.08 0.62 0.78 -1.64 0.00 0.00 178.16 178.31 2c3u h GLY 972 N 0.25 1.60 1.03 1.82 0.00 -1.80 0.59 103.07 106.55 2c3u h GLY 972 Ca 0.15 -0.42 -0.17 0.00 0.00 0.00 0.00 47.33 46.88 2c3u h GLY 972 CO -0.16 0.19 -0.56 -1.33 0.00 0.00 0.00 176.54 174.67 2c3u h GLY 973 N 1.01 0.77 0.98 4.60 0.00 -1.67 -2.72 103.07 106.05 2c3u h GLY 973 Ca 0.48 -1.00 -0.01 0.00 0.00 0.00 0.00 47.33 46.80 2c3u h GLY 973 CO -0.25 0.90 0.28 -2.00 0.00 0.00 0.00 176.54 175.47 2c3u h LEU 974 N 0.40 0.62 -0.32 3.11 5.85 0.11 -1.27 115.31 123.81 2c3u h LEU 974 Ca -0.02 -0.08 0.02 0.00 0.84 0.00 0.00 57.88 58.64 2c3u h LEU 974 Cb 1.19 -0.16 -0.03 0.00 0.37 0.00 0.00 40.66 42.03 2c3u h LEU 974 CO 0.12 0.52 0.16 -0.78 -0.34 0.00 0.00 178.44 178.12 2c3u h ASP 975 N 0.67 0.25 -0.53 1.25 1.82 -0.95 -0.78 116.42 118.14 2c3u h ASP 975 Ca 0.18 0.01 -0.08 0.00 -0.39 0.00 0.00 57.03 56.75 2c3u h ASP 975 Cb 0.03 -0.03 -0.02 0.00 0.68 0.00 0.00 39.33 39.99 2c3u h ASP 975 CO -0.03 0.18 0.02 -0.74 -1.61 0.00 0.00 179.24 177.07 2c3u h HIS 976 N 0.34 1.00 -0.44 0.28 2.76 -1.25 -1.87 115.15 115.97 2c3u h HIS 976 Ca 0.13 -0.17 -0.09 0.00 -2.20 0.00 0.00 60.37 58.05 2c3u h HIS 976 Cb 0.04 -0.26 -0.01 0.00 1.55 0.00 0.00 27.41 28.72 2c3u h HIS 976 CO -0.09 0.91 -0.07 0.28 -1.30 0.00 0.00 177.93 177.66 2c3u h VAL 977 N 0.80 1.27 -0.29 5.26 2.07 -1.03 -2.13 116.25 122.19 2c3u h VAL 977 Ca 0.15 -1.17 -0.06 0.00 0.82 0.00 0.00 66.70 66.45 2c3u h VAL 977 Cb 0.50 1.12 -0.02 0.00 -1.52 0.00 0.00 31.29 31.37 2c3u h VAL 977 CO 0.02 0.40 -0.07 -0.07 0.02 0.00 0.00 177.57 177.87 2c3u h LEU 978 N 0.67 0.45 -1.24 2.57 3.38 -1.06 -2.27 115.31 117.81 2c3u h LEU 978 Ca 0.12 -0.10 -0.01 0.00 0.09 0.00 0.00 57.88 57.98 2c3u h LEU 978 Cb 0.60 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 41.23 2c3u h LEU 978 CO 0.04 0.58 -0.02 0.00 0.09 0.00 0.00 178.44 179.12 2c3u h ALA 979 N 1.48 1.00 0.00 1.53 0.00 -1.05 -2.99 119.26 119.23 2c3u h ALA 979 Ca 0.09 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.98 2c3u h ALA 979 Cb 0.41 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.20 2c3u h ALA 979 CO 0.02 0.03 -0.00 0.66 0.00 0.00 0.00 179.25 179.96 2c3u h SER 980 N 0.00 0.00 -0.03 0.00 4.64 -0.77 -3.46 113.55 113.93 2c3u h SER 980 Ca -0.00 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.31 2c3u h SER 980 Cb 0.60 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.68 2c3u h SER 980 CO 0.00 0.00 -0.01 0.61 -0.87 0.00 0.00 176.83 176.56 2c3u n GLY 981 N -0.81 0.44 3.93 -0.77 0.00 -1.13 -5.03 105.19 101.83 2c3u n GLY 981 Ca -0.02 -0.13 -0.25 0.00 0.00 0.00 0.00 46.02 45.62 2c3u n GLY 981 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2c3u s GLU 982 N -0.74 2.96 -1.19 1.61 2.02 -1.26 -4.27 118.70 117.83 2c3u s GLU 982 Ca 0.00 -0.23 -0.20 0.00 0.02 0.00 0.00 54.97 54.56 2c3u s GLU 982 Cb 0.00 -2.40 0.05 0.00 0.10 0.00 0.00 34.13 31.89 2c3u s GLU 982 CO 0.00 -0.53 1.66 0.34 0.02 0.00 0.00 175.26 176.75 2c3u s ASP 983 N -4.27 6.58 0.13 -0.19 3.68 -1.26 -1.67 116.67 119.65 2c3u s ASP 983 Ca 0.52 -2.01 0.04 0.00 2.13 0.00 0.00 52.55 53.23 2c3u s ASP 983 Cb -0.10 -2.58 -0.04 0.00 -1.45 0.00 0.00 42.92 38.75 2c3u s ASP 983 CO 0.42 -1.44 -0.11 0.68 0.13 0.00 0.00 175.17 174.85 2c3u s VAL 984 N 5.03 1.13 -0.15 1.11 -7.23 -1.24 -4.65 120.40 114.39 2c3u s VAL 984 Ca 0.53 -1.86 0.01 0.00 -1.81 0.00 0.00 61.98 58.85 2c3u s VAL 984 Cb 0.02 -1.63 0.02 0.00 0.56 0.00 0.00 36.38 35.35 2c3u s VAL 984 CO 0.02 -0.62 -0.17 0.20 -0.31 0.00 0.00 175.10 174.22 2c3u s ASN 985 N -2.80 2.80 -0.17 4.85 0.01 0.09 -2.03 114.94 117.69 2c3u s ASN 985 Ca 0.12 -0.53 -0.05 0.00 -0.71 0.00 0.00 52.86 51.69 2c3u s ASN 985 Cb -0.01 -1.27 -0.03 0.00 0.41 0.00 0.00 41.25 40.36 2c3u s ASN 985 CO 0.01 -0.02 -0.01 0.68 -1.51 0.00 0.00 177.10 176.26 2c3u s VAL 986 N 1.29 4.12 -0.27 1.60 -7.23 0.18 0.43 120.40 120.53 2c3u s VAL 986 Ca 0.02 -0.27 0.01 0.00 -1.81 0.00 0.00 61.98 59.93 2c3u s VAL 986 Cb -0.13 -2.83 0.06 0.00 0.56 0.00 0.00 36.38 34.03 2c3u s VAL 986 CO -0.09 0.47 -0.08 0.12 -0.31 0.00 0.00 175.10 175.22 2c3u s PHE 987 N 0.49 3.26 -0.26 2.82 5.36 0.72 -1.11 117.98 129.27 2c3u s PHE 987 Ca -0.01 -2.18 -0.10 0.00 -0.96 0.00 0.00 56.93 53.68 2c3u s PHE 987 Cb -0.14 -1.99 -0.05 0.00 -0.34 0.00 0.00 43.02 40.51 2c3u s PHE 987 CO 0.02 -0.85 0.16 0.08 -1.46 0.00 0.00 175.22 173.17 2c3u s VAL 988 N 1.15 5.22 -0.62 3.12 1.01 0.35 -2.41 120.40 128.21 2c3u s VAL 988 Ca -0.08 0.14 -0.18 0.00 0.00 0.00 0.00 61.98 61.86 2c3u s VAL 988 Cb -0.20 -3.46 0.12 0.00 0.00 0.00 0.00 36.38 32.85 2c3u s VAL 988 CO -0.04 0.30 0.68 -0.04 0.00 0.00 0.00 175.10 176.00 2c3u s MET 989 N 1.44 3.12 -0.53 2.72 1.00 -0.33 -1.02 119.30 125.70 2c3u s MET 989 Ca 0.07 -1.57 -0.26 0.00 0.00 0.00 0.00 55.69 53.92 2c3u s MET 989 Cb -0.15 -4.33 0.03 0.00 0.00 0.00 0.00 34.83 30.38 2c3u s MET 989 CO 0.08 -1.47 1.03 0.34 0.00 0.00 0.00 175.02 174.99 2c3u s ASP 990 N 3.47 6.44 0.00 3.03 -1.08 -0.35 -3.10 116.67 125.07 2c3u s ASP 990 Ca 0.11 -0.03 0.21 0.00 -0.52 0.00 0.00 52.55 52.32 2c3u s ASP 990 Cb -0.23 -2.48 0.34 0.00 -1.46 0.00 0.00 42.92 39.09 2c3u s ASP 990 CO 0.03 -1.26 1.30 0.35 0.52 0.00 0.00 175.17 176.11 2c3u n THR 991 N 6.45 0.43 -2.75 1.71 -2.24 -1.26 -1.29 114.28 115.33 2c3u n THR 991 Ca 0.06 -0.71 -0.20 0.00 -2.27 0.00 0.00 64.05 60.93 2c3u n THR 991 Cb 0.48 1.04 0.01 0.00 -2.10 0.00 0.00 70.33 69.75 2c3u n THR 991 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2c3u n GLU 992 N 1.28 -3.07 -3.61 -0.78 1.02 -1.26 -4.86 120.64 109.35 2c3u n GLU 992 Ca 0.16 0.80 -0.04 0.00 -0.02 0.00 0.00 57.16 58.06 2c3u n GLU 992 Cb 0.55 -5.52 -0.02 0.00 -0.02 0.00 0.00 31.44 26.43 2c3u n GLU 992 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 2c3u s VAL 993 N -2.96 0.00 -0.92 2.62 0.11 -1.26 -4.07 120.40 113.91 2c3u s VAL 993 Ca 0.15 0.00 -0.24 0.00 -2.93 0.00 0.00 61.98 58.97 2c3u s VAL 993 Cb -0.07 -1.00 0.05 0.00 -1.53 0.00 0.00 36.38 33.83 2c3u s VAL 993 CO 0.19 0.00 1.37 -0.31 -3.33 0.00 0.00 175.10 173.02 2c3u s TYR 994 N -2.18 2.49 -0.00 1.54 1.51 0.11 -4.55 117.35 116.28 2c3u s TYR 994 Ca 0.10 -0.63 -0.04 0.00 -1.01 0.00 0.00 57.07 55.48 2c3u s TYR 994 Cb -0.01 -4.64 -0.02 0.00 -0.11 0.00 0.00 41.96 37.17 2c3u s TYR 994 CO -0.04 -1.95 0.61 0.77 -1.11 0.00 0.00 175.55 173.83 2c3u h SER 995 N 9.81 -0.13 -0.80 2.29 0.02 -1.93 0.33 113.55 123.13 2c3u h SER 995 Ca 0.04 0.00 0.14 0.00 -0.84 0.00 0.00 61.79 61.14 2c3u h SER 995 Cb 1.02 0.03 -0.14 0.00 0.14 0.00 0.00 62.40 63.46 2c3u h SER 995 CO 1.36 -0.05 -0.26 -3.20 -1.14 0.00 0.00 176.83 173.54 2c3u n ASN 996 N -2.70 -0.42 0.00 3.07 5.15 -1.26 -0.91 115.26 118.20 2c3u n ASN 996 Ca -0.02 1.39 0.10 0.00 -0.60 0.00 0.00 54.58 55.45 2c3u n ASN 996 Cb 0.06 -0.36 0.58 0.00 -0.53 0.00 0.00 39.78 39.53 2c3u n ASN 996 CO 0.00 0.00 0.00 0.35 1.40 0.00 0.00 177.26 179.01 2c3u n THR 997 N -5.24 0.00 0.00 -0.44 -2.24 -1.26 -4.84 114.28 100.26 2c3u n THR 997 Ca 0.10 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.88 2c3u n THR 997 Cb 0.36 -0.33 0.00 0.00 -2.10 0.00 0.00 70.33 68.26 2c3u n THR 997 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2c3u n GLY 998 N 0.78 1.71 2.25 3.38 0.00 -0.08 -4.82 105.19 108.40 2c3u n GLY 998 Ca 0.15 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.08 2c3u n GLY 998 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2c3u n GLY 999 N 0.00 0.38 3.83 -0.02 0.00 0.11 -4.83 105.19 104.66 2c3u n GLY 999 Ca 0.00 -0.36 -0.33 0.00 0.00 0.00 0.00 46.02 45.33 2c3u n GLY 999 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2c3u s GLN 1000N -5.37 4.16 0.33 1.61 1.11 -0.91 -2.16 119.66 118.43 2c3u s GLN 1000Ca 0.19 1.03 -0.29 0.00 0.01 0.00 0.00 55.36 56.30 2c3u s GLN 1000Cb -0.09 -2.22 -0.11 0.00 -1.01 0.00 0.00 33.01 29.59 2c3u s GLN 1000CO 0.24 -0.03 1.45 0.45 0.01 0.00 0.00 175.29 177.41 2c3u s SER 1001N -2.30 6.51 0.33 5.90 0.15 -0.49 0.09 113.70 123.89 2c3u s SER 1001Ca 0.60 2.88 0.08 0.00 0.70 0.00 0.00 55.95 60.21 2c3u s SER 1001Cb -0.09 -2.65 -0.06 0.00 -1.71 0.00 0.00 66.02 61.50 2c3u s SER 1001CO 0.16 -0.77 -0.06 -0.94 1.20 0.00 0.00 173.24 172.83 2c3u s SER 1002N -0.05 3.28 0.00 5.45 1.04 -1.26 -4.76 113.70 117.41 2c3u s SER 1002Ca 0.54 -1.23 0.14 0.00 0.48 0.00 0.00 55.95 55.89 2c3u s SER 1002Cb -0.44 -0.27 0.74 0.00 0.10 0.00 0.00 66.02 66.15 2c3u s SER 1002CO 0.55 -0.31 1.35 0.29 0.98 0.00 0.00 173.24 176.09 2c3u n LYS 1003N -0.73 0.25 0.00 4.02 5.02 -1.26 -0.54 118.16 124.93 2c3u n LYS 1003Ca -0.05 0.12 0.13 0.00 -2.02 0.00 0.00 58.31 56.49 2c3u n LYS 1003Cb 0.64 -1.50 0.33 0.00 -0.02 0.00 0.00 35.03 34.48 2c3u n LYS 1003CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2c3u n ALA 1004N -1.22 3.29 -2.29 7.82 0.00 -1.26 -0.45 120.51 126.40 2c3u n ALA 1004Ca 0.08 -0.36 -0.42 0.00 0.00 0.00 0.00 53.44 52.74 2c3u n ALA 1004Cb 0.10 -1.15 -0.03 0.00 0.00 0.00 0.00 19.45 18.37 2c3u n ALA 1004CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 2c3u s THR 1005N -2.79 3.71 0.77 0.00 2.01 0.30 -4.67 115.64 114.98 2c3u s THR 1005Ca 0.17 1.20 -0.11 0.00 0.31 0.00 0.00 61.69 63.26 2c3u s THR 1005Cb 0.18 -3.77 0.05 0.00 0.01 0.00 0.00 72.50 68.98 2c3u s THR 1005CO 0.62 0.07 1.08 -2.16 -0.69 0.00 0.00 174.62 173.53 2c3u s PRO 1006N 1.45 2.30 0.24 4.92 0.04 -1.26 -3.99 135.00 138.70 2c3u s PRO 1006Ca 0.62 0.86 -0.31 0.00 0.04 0.00 0.00 61.00 62.20 2c3u s PRO 1006Cb -0.32 -1.93 -0.13 0.00 0.04 0.00 0.00 34.50 32.16 2c3u s PRO 1006CO 0.28 -1.52 1.39 2.41 0.04 0.00 0.00 177.00 179.60 2c3u n THR 1007N -3.40 0.96 -0.69 1.26 -1.04 -1.25 -2.24 114.28 107.88 2c3u n THR 1007Ca 0.08 -0.24 0.00 0.00 -2.04 0.00 0.00 64.05 61.84 2c3u n THR 1007Cb 0.55 -1.44 0.00 0.00 -1.82 0.00 0.00 70.33 67.61 2c3u n THR 1007CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2c3u n GLY 1008N 2.13 0.89 3.75 3.41 0.00 -0.18 -4.87 105.19 110.32 2c3u n GLY 1008Ca 0.12 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.74 2c3u n GLY 1008CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2c3u s ALA 1009N -2.87 3.36 -0.18 4.61 0.00 -0.95 -4.52 121.76 121.21 2c3u s ALA 1009Ca 0.00 0.73 -0.16 0.00 0.00 0.00 0.00 51.96 52.53 2c3u s ALA 1009Cb 0.00 -3.26 -0.04 0.00 0.00 0.00 0.00 23.12 19.82 2c3u s ALA 1009CO 0.00 0.05 0.40 0.08 0.00 0.00 0.00 175.76 176.29 2c3u s VAL 1010N -1.20 5.21 0.28 0.00 1.01 0.98 -1.08 120.40 125.60 2c3u s VAL 1010Ca 0.43 0.73 -0.17 0.00 0.00 0.00 0.00 61.98 62.97 2c3u s VAL 1010Cb -0.28 -3.73 0.01 0.00 0.00 0.00 0.00 36.38 32.38 2c3u s VAL 1010CO 0.35 0.28 0.63 0.00 0.00 0.00 0.00 175.10 176.36 2c3u s ALA 1011N 1.12 -0.75 0.22 5.51 0.00 -1.10 -4.78 121.76 121.98 2c3u s ALA 1011Ca 0.20 -0.60 -0.31 0.00 0.00 0.00 0.00 51.96 51.24 2c3u s ALA 1011Cb -0.15 0.92 -0.12 0.00 0.00 0.00 0.00 23.12 23.78 2c3u s ALA 1011CO 0.08 -0.96 1.67 0.15 0.00 0.00 0.00 175.76 176.70 2c3u s LYS 1012N -3.76 4.14 -0.21 0.00 -0.14 -0.92 -0.95 119.74 117.89 2c3u s LYS 1012Ca 0.16 2.56 0.00 0.00 -1.36 0.00 0.00 55.97 57.34 2c3u s LYS 1012Cb -0.04 -3.07 0.00 0.00 -1.68 0.00 0.00 37.83 33.04 2c3u s LYS 1012CO 0.09 -0.70 0.00 1.19 -0.76 0.00 0.00 175.35 175.16 2c3u n PHE 1013N 3.58 0.00 -2.71 3.18 3.01 -1.26 -1.39 117.46 121.87 2c3u n PHE 1013Ca 0.14 0.00 -0.03 0.00 1.01 0.00 0.00 57.45 58.57 2c3u n PHE 1013Cb 0.36 -0.74 0.11 0.00 -0.01 0.00 0.00 39.48 39.20 2c3u n PHE 1013CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 2c3u n ALA 1014N 1.04 2.56 1.01 4.37 0.00 -0.13 -4.93 120.51 124.42 2c3u n ALA 1014Ca -0.02 -1.54 0.09 0.00 0.00 0.00 0.00 53.44 51.96 2c3u n ALA 1014Cb 0.12 -0.87 0.49 0.00 0.00 0.00 0.00 19.45 19.18 2c3u n ALA 1014CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2c3u n ALA 1015N -1.08 2.08 -0.42 0.00 0.00 -0.94 -1.72 120.51 118.43 2c3u n ALA 1015Ca -0.08 -0.10 0.04 0.00 0.00 0.00 0.00 53.44 53.30 2c3u n ALA 1015Cb 0.85 -1.28 0.08 0.00 0.00 0.00 0.00 19.45 19.10 2c3u n ALA 1015CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2c3u n ALA 1016N -1.09 2.16 -0.03 0.00 0.00 -1.26 -4.92 120.51 115.38 2c3u n ALA 1016Ca 0.12 -1.61 0.00 0.00 0.00 0.00 0.00 53.44 51.95 2c3u n ALA 1016Cb 0.08 -0.21 0.00 0.00 0.00 0.00 0.00 19.45 19.32 2c3u n ALA 1016CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2c3u n GLY 1017N -0.69 0.93 3.68 0.00 0.00 -0.70 -4.96 105.19 103.44 2c3u n GLY 1017Ca 0.08 -1.24 -0.45 0.00 0.00 0.00 0.00 46.02 44.41 2c3u n GLY 1017CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2c3u n LYS 1018N 2.63 2.16 -0.54 1.61 4.81 -0.24 -4.65 118.16 123.92 2c3u n LYS 1018Ca 0.00 0.77 0.08 0.00 -0.87 0.00 0.00 58.31 58.30 2c3u n LYS 1018Cb 0.00 -2.51 0.32 0.00 0.02 0.00 0.00 35.03 32.86 2c3u n LYS 1018CO 0.00 0.00 0.00 0.54 1.17 0.00 0.00 177.40 179.11 2c3u n ARG 1019N 2.87 3.39 -4.15 1.64 5.12 -1.26 -1.01 116.66 123.26 2c3u n ARG 1019Ca 0.15 -2.53 -0.17 0.00 -1.93 0.00 0.00 57.85 53.37 2c3u n ARG 1019Cb 0.30 -1.82 -0.12 0.00 -1.16 0.00 0.00 32.46 29.67 2c3u n ARG 1019CO 0.00 0.00 0.00 0.95 -1.93 0.00 0.00 177.63 176.65 2c3u s THR 1020N -1.79 0.90 0.97 0.55 -4.23 -1.26 -5.04 115.64 105.74 2c3u s THR 1020Ca 0.45 -1.18 -0.12 0.00 -1.18 0.00 0.00 61.69 59.67 2c3u s THR 1020Cb 0.29 -0.89 0.17 0.00 1.34 0.00 0.00 72.50 73.41 2c3u s THR 1020CO 0.22 -0.25 1.08 -0.83 -0.54 0.00 0.00 174.62 174.31 2c3u s GLY 1021N -1.60 1.60 0.22 3.99 0.00 -1.26 -3.89 107.32 106.39 2c3u s GLY 1021Ca -0.04 -0.06 -0.30 0.00 0.00 0.00 0.00 44.72 44.32 2c3u s GLY 1021CO 0.01 0.49 1.42 1.25 0.00 0.00 0.00 173.10 176.27 2c3u s LYS 1022N -4.81 4.29 0.23 2.90 2.20 -1.26 -4.80 119.74 118.49 2c3u s LYS 1022Ca 0.65 2.23 -0.31 0.00 -0.36 0.00 0.00 55.97 58.19 2c3u s LYS 1022Cb -0.20 -3.14 -0.11 0.00 -1.51 0.00 0.00 37.83 32.87 2c3u s LYS 1022CO 0.59 -0.40 1.57 0.21 -0.36 0.00 0.00 175.35 176.96 2c3u s LYS 1023N -0.06 4.19 -1.24 4.03 2.20 0.41 -4.92 119.74 124.34 2c3u s LYS 1023Ca 0.60 2.45 -0.09 0.00 -0.36 0.00 0.00 55.97 58.57 2c3u s LYS 1023Cb -0.40 -3.09 0.19 0.00 -1.51 0.00 0.00 37.83 33.02 2c3u s LYS 1023CO 0.40 -0.59 1.76 -3.47 -0.36 0.00 0.00 175.35 173.09 2c3u n ASP 1024N 3.04 5.34 -0.25 1.43 -0.08 -1.26 -4.82 116.55 119.94 2c3u n ASP 1024Ca 0.11 -3.15 0.02 0.00 -1.51 0.00 0.00 54.79 50.26 2c3u n ASP 1024Cb 0.38 -1.45 0.15 0.00 2.34 0.00 0.00 41.12 42.54 2c3u n ASP 1024CO 0.00 0.00 0.00 0.25 0.12 0.00 0.00 177.20 177.57 2c3u h LEU 1025N 7.58 0.42 0.03 -2.67 5.85 -1.97 -1.95 115.31 122.60 2c3u h LEU 1025Ca 0.35 0.07 0.02 0.00 0.84 0.00 0.00 57.88 59.16 2c3u h LEU 1025Cb 0.65 0.01 -0.02 0.00 0.37 0.00 0.00 40.66 41.67 2c3u h LEU 1025CO 1.53 0.22 -0.11 0.00 -0.34 0.00 0.00 178.44 179.74 2c3u h ALA 1026N 1.46 -0.15 0.00 1.25 0.00 -2.00 -1.12 119.26 118.70 2c3u h ALA 1026Ca 0.37 -0.00 -0.05 0.00 0.00 0.00 0.00 54.91 55.23 2c3u h ALA 1026Cb 0.44 0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.42 2c3u h ALA 1026CO -0.30 -0.61 -0.25 0.00 0.00 0.00 0.00 179.25 178.08 2c3u h ARG 1027N -0.21 0.00 -0.16 0.00 3.08 -1.91 -1.78 114.38 113.40 2c3u h ARG 1027Ca 0.03 0.00 -0.05 0.00 0.07 0.00 0.00 59.98 60.03 2c3u h ARG 1027Cb 0.25 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.29 2c3u h ARG 1027CO -0.10 0.25 -0.11 0.52 -1.07 0.00 0.00 179.97 179.46 2c3u h MET 1028N 0.00 0.36 0.00 0.04 2.86 -0.69 -3.10 114.93 114.40 2c3u h MET 1028Ca -0.00 -0.17 0.00 0.00 -2.06 0.00 0.00 59.70 57.46 2c3u h MET 1028Cb 0.53 -0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.18 2c3u h MET 1028CO 0.03 0.70 0.00 -0.39 1.06 0.00 0.00 176.91 178.32 2c3u h VAL 1029N 0.02 0.00 0.00 -2.22 -1.51 -1.07 -2.87 116.25 108.60 2c3u h VAL 1029Ca 0.03 -0.60 0.00 0.00 -1.23 0.00 0.00 66.70 64.90 2c3u h VAL 1029Cb 0.62 1.56 0.00 0.00 -2.13 0.00 0.00 31.29 31.33 2c3u h VAL 1029CO 0.03 0.00 0.00 0.24 -1.23 0.00 0.00 177.57 176.61 2c3u h MET 1030N 0.00 0.00 0.00 5.19 2.07 -1.24 -2.76 114.93 118.19 2c3u h MET 1030Ca 0.00 0.00 0.00 0.00 -2.07 0.00 0.00 59.70 57.63 2c3u h MET 1030Cb 0.73 0.00 0.00 0.00 -1.87 0.00 0.00 31.60 30.46 2c3u h MET 1030CO 0.00 0.00 0.00 0.25 1.07 0.00 0.00 176.91 178.23 2c3u n THR 1031N -2.51 0.88 0.05 2.22 -2.24 -1.08 -2.61 114.28 108.99 2c3u n THR 1031Ca 0.01 0.24 -0.06 0.00 -2.27 0.00 0.00 64.05 61.97 2c3u n THR 1031Cb 0.24 -1.12 0.11 0.00 -2.10 0.00 0.00 70.33 67.46 2c3u n THR 1031CO 0.00 0.00 0.00 1.88 -0.57 0.00 0.00 175.07 176.38 2c3u h TYR 1032N 0.00 0.46 0.00 4.78 0.05 -1.70 -3.47 116.97 117.08 2c3u h TYR 1032Ca 0.00 -0.16 0.00 0.00 0.05 0.00 0.00 58.73 58.62 2c3u h TYR 1032Cb 0.33 -0.09 0.00 0.00 1.01 0.00 0.00 36.73 37.98 2c3u h TYR 1032CO 0.00 0.83 0.00 0.41 -1.05 0.00 0.00 178.16 178.35 2c3u n GLY 1033N 0.19 2.75 0.69 3.88 0.00 -1.07 -4.75 105.19 106.88 2c3u n GLY 1033Ca -0.02 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.06 2c3u n GLY 1033CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90 2c3u n TYR 1034N -0.58 0.62 -4.58 1.61 0.18 -1.26 -4.67 117.16 108.48 2c3u n TYR 1034Ca 0.00 -0.67 -0.33 0.00 1.88 0.00 0.00 57.90 58.77 2c3u n TYR 1034Cb 0.00 -0.15 -0.14 0.00 -0.38 0.00 0.00 39.34 38.67 2c3u n TYR 1034CO 0.00 0.00 0.00 0.08 -2.08 0.00 0.00 176.86 174.86 2c3u s VAL 1035N -1.82 3.23 -0.13 -3.48 1.01 -1.26 -4.51 120.40 113.44 2c3u s VAL 1035Ca 0.30 -0.59 -0.29 0.00 0.00 0.00 0.00 61.98 61.40 2c3u s VAL 1035Cb 0.21 -2.38 -0.03 0.00 0.00 0.00 0.00 36.38 34.18 2c3u s VAL 1035CO 0.12 0.51 1.37 -0.47 0.00 0.00 0.00 175.10 176.62 2c3u s TYR 1036N 0.52 2.61 -0.06 5.22 5.04 0.41 -4.75 117.35 126.34 2c3u s TYR 1036Ca -0.07 0.78 0.05 0.00 -2.44 0.00 0.00 57.07 55.39 2c3u s TYR 1036Cb -0.15 -3.62 -0.01 0.00 0.35 0.00 0.00 41.96 38.53 2c3u s TYR 1036CO 0.04 -2.30 -0.22 0.08 -1.34 0.00 0.00 175.55 171.81 2c3u s VAL 1037N 3.62 1.80 0.02 3.14 1.01 -0.83 0.09 120.40 129.25 2c3u s VAL 1037Ca 0.60 -0.92 -0.17 0.00 0.00 0.00 0.00 61.98 61.49 2c3u s VAL 1037Cb -0.25 -1.54 0.03 0.00 0.00 0.00 0.00 36.38 34.62 2c3u s VAL 1037CO 0.19 0.51 0.39 0.00 0.00 0.00 0.00 175.10 176.18 2c3u s ALA 1038N 0.01 -0.95 -0.00 5.51 0.00 -0.52 0.83 121.76 126.64 2c3u s ALA 1038Ca -0.06 0.33 0.07 0.00 0.00 0.00 0.00 51.96 52.30 2c3u s ALA 1038Cb -0.14 0.25 -0.02 0.00 0.00 0.00 0.00 23.12 23.22 2c3u s ALA 1038CO 0.04 -0.40 -0.22 0.95 0.00 0.00 0.00 175.76 176.13 2c3u s THR 1039N -2.13 1.78 0.25 0.00 -4.23 -0.96 -1.13 115.64 109.22 2c3u s THR 1039Ca -0.08 -1.04 0.02 0.00 -1.18 0.00 0.00 61.69 59.42 2c3u s THR 1039Cb -0.02 -1.49 -0.05 0.00 1.34 0.00 0.00 72.50 72.28 2c3u s THR 1039CO -0.00 0.43 0.06 0.68 -0.54 0.00 0.00 174.62 175.26 2c3u s VAL 1040N -0.60 0.74 -0.32 2.29 -7.23 -0.30 -3.81 120.40 111.17 2c3u s VAL 1040Ca 0.09 -2.00 0.01 0.00 -1.81 0.00 0.00 61.98 58.27 2c3u s VAL 1040Cb -0.09 -2.56 0.19 0.00 0.56 0.00 0.00 36.38 34.49 2c3u s VAL 1040CO -0.00 -0.10 0.74 -0.55 -0.31 0.00 0.00 175.10 174.87 2c3u s SER 1041N -3.32 -1.24 0.18 4.85 0.15 -1.26 -2.34 113.70 110.71 2c3u s SER 1041Ca 0.35 -0.08 -0.23 0.00 0.70 0.00 0.00 55.95 56.68 2c3u s SER 1041Cb 0.07 1.71 0.07 0.00 -1.71 0.00 0.00 66.02 66.17 2c3u s SER 1041CO 0.12 -0.20 1.58 -0.03 1.20 0.00 0.00 173.24 175.91 2c3u h MET 1042N 7.40 -0.20 -0.78 5.44 4.05 -1.85 -0.35 114.93 128.64 2c3u h MET 1042Ca -0.02 0.01 0.22 0.00 -0.28 0.00 0.00 59.70 59.64 2c3u h MET 1042Cb 1.19 0.04 -0.03 0.00 -0.80 0.00 0.00 31.60 32.00 2c3u h MET 1042CO 0.07 -0.13 0.60 0.78 0.23 0.00 0.00 176.91 178.45 2c3u h GLY 1043N -0.20 0.00 0.41 1.39 0.00 -1.87 -2.06 103.07 100.74 2c3u h GLY 1043Ca 0.20 0.00 -0.15 0.00 0.00 0.00 0.00 47.33 47.38 2c3u h GLY 1043CO -0.68 0.00 -0.69 -1.82 0.00 0.00 0.00 176.54 173.35 2c3u h TYR 1044N 0.00 0.33 -1.66 5.60 3.20 -1.27 -3.36 116.97 119.81 2c3u h TYR 1044Ca 0.37 -0.24 0.03 0.00 3.14 0.00 0.00 58.73 62.03 2c3u h TYR 1044Cb 1.56 -0.01 -0.23 0.00 1.54 0.00 0.00 36.73 39.59 2c3u h TYR 1044CO 0.00 1.27 -0.27 0.45 -1.64 0.00 0.00 178.16 177.97 2c3u s SER 1045N -6.75 -0.92 0.20 -2.11 0.15 -0.78 -4.99 113.70 98.50 2c3u s SER 1045Ca -0.17 1.02 0.07 0.00 0.70 0.00 0.00 55.95 57.57 2c3u s SER 1045Cb 0.01 1.95 0.08 0.00 -1.71 0.00 0.00 66.02 66.35 2c3u s SER 1045CO 0.76 -0.25 1.45 0.11 1.20 0.00 0.00 173.24 176.51 2c3u h LYS 1046N 8.05 0.08 -0.34 5.44 1.57 -1.84 -3.03 116.57 126.51 2c3u h LYS 1046Ca -0.20 -0.08 -0.16 0.00 -1.87 0.00 0.00 60.65 58.33 2c3u h LYS 1046Cb 1.13 0.02 -0.00 0.00 0.08 0.00 0.00 32.23 33.46 2c3u h LYS 1046CO 0.19 0.84 -0.44 1.96 -0.57 0.00 0.00 179.45 181.43 2c3u h GLN 1047N 0.05 0.87 -0.43 3.15 7.50 -1.95 -2.16 115.11 122.15 2c3u h GLN 1047Ca -0.02 -0.49 -0.11 0.00 0.50 0.00 0.00 58.65 58.53 2c3u h GLN 1047Cb 1.40 0.03 -0.01 0.00 0.05 0.00 0.00 27.48 28.95 2c3u h GLN 1047CO 0.11 1.13 -0.20 0.37 -1.50 0.00 0.00 178.83 178.74 2c3u h GLN 1048N 0.70 0.83 0.13 1.46 -0.00 -1.98 -1.15 115.11 115.11 2c3u h GLN 1048Ca 0.04 -0.33 0.00 0.00 -0.00 0.00 0.00 58.65 58.37 2c3u h GLN 1048Cb 1.03 -0.04 -0.01 0.00 0.00 0.00 0.00 27.48 28.45 2c3u h GLN 1048CO 0.10 0.96 -0.14 0.35 0.00 0.00 0.00 178.83 180.11 2c3u h PHE 1049N 0.73 -0.35 -0.76 3.99 3.57 -1.39 0.19 116.94 122.92 2c3u h PHE 1049Ca 0.10 0.00 0.02 0.00 3.53 0.00 0.00 57.97 61.63 2c3u h PHE 1049Cb 0.72 0.14 -0.04 0.00 2.79 0.00 0.00 35.95 39.56 2c3u h PHE 1049CO 0.04 -0.21 0.49 -0.07 -2.23 0.00 0.00 178.31 176.34 2c3u h LEU 1050N -0.30 0.84 -0.52 0.59 3.38 -1.28 0.12 115.31 118.14 2c3u h LEU 1050Ca 0.01 -0.01 0.01 0.00 0.09 0.00 0.00 57.88 57.97 2c3u h LEU 1050Cb 0.29 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 40.81 2c3u h LEU 1050CO -0.04 0.59 0.33 0.50 0.09 0.00 0.00 178.44 179.92 2c3u h LYS 1051N 0.99 0.66 -0.46 1.13 3.64 -0.67 -0.05 116.57 121.80 2c3u h LYS 1051Ca 0.29 -0.04 -0.04 0.00 -1.27 0.00 0.00 60.65 59.59 2c3u h LYS 1051Cb -0.06 -0.15 -0.02 0.00 -0.41 0.00 0.00 32.23 31.59 2c3u h LYS 1051CO -0.08 0.43 0.13 0.28 -2.27 0.00 0.00 179.45 177.94 2c3u h VAL 1052N 0.67 1.23 -0.20 2.00 2.07 -0.12 -0.06 116.25 121.84 2c3u h VAL 1052Ca 0.20 -0.77 0.03 0.00 0.82 0.00 0.00 66.70 66.97 2c3u h VAL 1052Cb -0.05 0.86 -0.03 0.00 -1.52 0.00 0.00 31.29 30.56 2c3u h VAL 1052CO -0.06 0.28 0.04 -0.07 0.02 0.00 0.00 177.57 177.77 2c3u h LEU 1053N 0.61 0.00 -0.50 2.57 3.38 -0.42 0.45 115.31 121.41 2c3u h LEU 1053Ca 0.15 0.03 -0.03 0.00 0.09 0.00 0.00 57.88 58.12 2c3u h LEU 1053Cb 0.29 0.04 -0.02 0.00 0.09 0.00 0.00 40.66 41.06 2c3u h LEU 1053CO -0.00 0.03 0.19 0.50 0.09 0.00 0.00 178.44 179.24 2c3u h LYS 1054N 0.12 0.76 -0.19 1.13 3.64 -0.89 -1.90 116.57 119.24 2c3u h LYS 1054Ca 0.09 -0.15 -0.06 0.00 -1.27 0.00 0.00 60.65 59.27 2c3u h LYS 1054Cb 0.09 -0.12 -0.00 0.00 -0.41 0.00 0.00 32.23 31.79 2c3u h LYS 1054CO -0.12 0.69 -0.10 0.93 -2.27 0.00 0.00 179.45 178.57 2c3u h GLU 1055N 0.67 0.41 0.03 1.90 5.08 -0.56 -2.29 114.58 119.82 2c3u h GLU 1055Ca 0.17 -0.18 -0.00 0.00 -1.00 0.00 0.00 59.36 58.34 2c3u h GLU 1055Cb 0.22 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.46 2c3u h GLU 1055CO -0.01 0.71 -0.01 0.00 -1.00 0.00 0.00 179.01 178.70 2c3u h ALA 1056N 0.69 -0.04 -0.66 3.43 0.00 -0.08 -1.83 119.26 120.77 2c3u h ALA 1056Ca 0.04 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 2c3u h ALA 1056Cb 0.59 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.37 2c3u h ALA 1056CO 0.03 -0.50 0.34 1.49 0.00 0.00 0.00 179.25 180.62 2c3u h GLU 1057N -0.09 0.93 0.00 0.00 4.22 -1.40 -2.56 114.58 115.67 2c3u h GLU 1057Ca -0.00 -0.12 0.00 0.00 0.08 0.00 0.00 59.36 59.32 2c3u h GLU 1057Cb 0.08 -0.18 0.00 0.00 0.50 0.00 0.00 28.75 29.15 2c3u h GLU 1057CO 0.01 0.71 0.00 0.66 -2.18 0.00 0.00 179.01 178.21 2c3u h SER 1058N 0.90 0.00 -2.51 1.04 4.64 -1.34 -3.44 113.55 112.84 2c3u h SER 1058Ca 0.23 0.00 -0.54 0.00 -0.47 0.00 0.00 61.79 61.01 2c3u h SER 1058Cb 0.07 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.17 2c3u h SER 1058CO -0.03 0.00 1.14 0.12 -0.87 0.00 0.00 176.83 177.19 2c3u s PHE 1059N -3.52 1.74 -1.26 4.77 5.36 -0.70 -4.86 117.98 119.50 2c3u s PHE 1059Ca 0.03 -0.08 -0.09 0.00 -0.96 0.00 0.00 56.93 55.83 2c3u s PHE 1059Cb 0.09 -4.07 -0.13 0.00 -0.34 0.00 0.00 43.02 38.57 2c3u s PHE 1059CO 0.54 -4.63 3.07 -0.35 -1.46 0.00 0.00 175.22 172.39 2c3u n PRO 1060N 7.08 3.29 -0.36 10.12 -0.04 -1.26 -4.72 135.00 149.10 2c3u n PRO 1060Ca 0.18 -1.92 0.00 0.00 -0.04 0.00 0.00 63.50 61.72 2c3u n PRO 1060Cb 0.42 -2.62 0.00 0.00 -0.04 0.00 0.00 33.50 31.26 2c3u n PRO 1060CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2c3u n GLY 1061N 3.36 1.25 3.74 0.55 0.00 -1.26 -4.75 105.19 108.08 2c3u n GLY 1061Ca 0.70 -0.69 -0.41 0.00 0.00 0.00 0.00 46.02 45.63 2c3u n GLY 1061CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 2c3u s PRO 1062N 0.36 4.67 -0.04 1.61 0.02 -0.67 -3.62 135.00 137.33 2c3u s PRO 1062Ca 0.00 1.64 0.04 0.00 0.02 0.00 0.00 61.00 62.71 2c3u s PRO 1062Cb 0.00 -3.28 -0.00 0.00 0.02 0.00 0.00 34.50 31.23 2c3u s PRO 1062CO 0.00 0.20 -0.17 -1.12 -0.33 0.00 0.00 177.00 175.58 2c3u s SER 1063N -0.40 2.16 -0.12 2.53 0.01 -0.86 -0.45 113.70 116.57 2c3u s SER 1063Ca 0.47 -0.35 0.00 0.00 1.31 0.00 0.00 55.95 57.38 2c3u s SER 1063Cb -0.28 -0.55 0.02 0.00 0.21 0.00 0.00 66.02 65.42 2c3u s SER 1063CO 0.34 0.16 -0.12 -0.22 0.41 0.00 0.00 173.24 173.82 2c3u s LEU 1064N -0.03 1.51 -0.13 2.44 0.20 0.11 -0.65 118.68 122.13 2c3u s LEU 1064Ca -0.02 -0.40 0.01 0.00 0.69 0.00 0.00 54.13 54.41 2c3u s LEU 1064Cb -0.11 -1.02 0.02 0.00 -0.43 0.00 0.00 46.19 44.65 2c3u s LEU 1064CO 0.02 -0.06 -0.16 -0.69 -0.29 0.00 0.00 176.35 175.17 2c3u s VAL 1065N 1.42 1.62 -0.26 1.68 1.01 -0.26 -1.44 120.40 124.17 2c3u s VAL 1065Ca 0.02 -0.69 -0.03 0.00 0.00 0.00 0.00 61.98 61.27 2c3u s VAL 1065Cb -0.13 -1.48 0.02 0.00 0.00 0.00 0.00 36.38 34.78 2c3u s VAL 1065CO -0.07 0.47 -0.02 -0.63 0.00 0.00 0.00 175.10 174.84 2c3u s ILE 1066N 1.15 3.20 -0.06 2.22 1.01 -0.28 -0.50 121.20 127.94 2c3u s ILE 1066Ca -0.02 -0.91 -0.02 0.00 0.00 0.00 0.00 60.65 59.69 2c3u s ILE 1066Cb -0.14 -2.63 -0.04 0.00 0.01 0.00 0.00 42.46 39.66 2c3u s ILE 1066CO -0.05 0.17 0.06 0.00 0.00 0.00 0.00 174.94 175.12 2c3u s ALA 1067N 1.38 3.52 -0.25 9.38 0.00 -0.19 -1.14 121.76 134.45 2c3u s ALA 1067Ca 0.01 -0.80 -0.27 0.00 0.00 0.00 0.00 51.96 50.90 2c3u s ALA 1067Cb -0.17 -1.61 0.01 0.00 0.00 0.00 0.00 23.12 21.35 2c3u s ALA 1067CO -0.02 0.63 0.96 -0.47 0.00 0.00 0.00 175.76 176.86 2c3u s TYR 1068N -1.03 3.29 -0.19 0.00 5.04 -0.99 -1.21 117.35 122.26 2c3u s TYR 1068Ca 0.17 1.28 0.01 0.00 -2.44 0.00 0.00 57.07 56.09 2c3u s TYR 1068Cb -0.12 -3.27 0.02 0.00 0.35 0.00 0.00 41.96 38.95 2c3u s TYR 1068CO 0.07 -0.51 -0.18 0.00 -1.34 0.00 0.00 175.55 173.59 2c3u s ALA 1069N 3.14 2.39 0.53 3.97 0.00 -0.41 -4.74 121.76 126.64 2c3u s ALA 1069Ca 0.41 -1.25 -0.19 0.00 0.00 0.00 0.00 51.96 50.92 2c3u s ALA 1069Cb -0.15 -1.25 -0.06 0.00 0.00 0.00 0.00 23.12 21.66 2c3u s ALA 1069CO 0.08 -0.42 1.09 0.95 0.00 0.00 0.00 175.76 177.46 2c3u s THR 1070N 1.29 3.47 0.04 0.00 -4.23 -1.26 -4.17 115.64 110.78 2c3u s THR 1070Ca 0.04 0.88 -0.06 0.00 -1.18 0.00 0.00 61.69 61.37 2c3u s THR 1070Cb -0.14 -3.35 -0.01 0.00 1.34 0.00 0.00 72.50 70.35 2c3u s THR 1070CO -0.12 -0.23 0.12 0.00 -0.54 0.00 0.00 174.62 173.85 2c3u h ILE 1072N 3.65 1.08 0.00 0.00 3.07 -1.95 -1.71 117.51 121.66 2c3u h ILE 1072Ca -0.32 -0.36 -0.00 0.00 1.55 0.00 0.00 64.86 65.72 2c3u h ILE 1072Cb 1.19 1.17 -0.00 0.00 -0.27 0.00 0.00 36.82 38.90 2c3u h ILE 1072CO 0.49 0.11 -0.01 0.78 -1.05 0.00 0.00 178.15 178.47 2c3u h ASN 1073N 0.03 0.00 1.41 2.16 -0.26 -1.97 -1.17 115.58 115.77 2c3u h ASN 1073Ca 0.01 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.75 2c3u h ASN 1073Cb 0.18 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.44 2c3u h ASN 1073CO 0.01 0.01 0.00 1.56 -1.06 0.00 0.00 177.43 177.95 2c3u h GLN 1074N 0.00 0.00 -5.35 0.81 4.20 -1.67 -3.44 115.11 109.66 2c3u h GLN 1074Ca -0.00 0.00 -0.26 0.00 0.06 0.00 0.00 58.65 58.45 2c3u h GLN 1074Cb 0.03 0.00 0.18 0.00 0.30 0.00 0.00 27.48 27.98 2c3u h GLN 1074CO 0.00 0.00 -0.78 0.41 -0.67 0.00 0.00 178.83 177.79 2c3u n GLY 1075N 0.89 -0.80 3.65 3.46 0.00 -0.44 -2.57 105.19 109.38 2c3u n GLY 1075Ca 0.04 0.38 -0.42 0.00 0.00 0.00 0.00 46.02 46.02 2c3u n GLY 1075CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2c3u s LEU 1076N -5.55 4.25 0.47 0.99 1.43 -1.26 -1.15 118.68 117.86 2c3u s LEU 1076Ca 0.29 2.45 0.23 0.00 -1.03 0.00 0.00 54.13 56.06 2c3u s LEU 1076Cb -0.04 -3.53 1.25 0.00 0.03 0.00 0.00 46.19 43.90 2c3u s LEU 1076CO 0.69 -1.18 1.89 -0.09 0.23 0.00 0.00 176.35 177.89 2c3u h ARG 1077N 11.11 0.22 -0.46 1.70 2.43 -1.51 -2.34 114.38 125.53 2c3u h ARG 1077Ca -0.46 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 58.69 2c3u h ARG 1077Cb 1.23 -0.05 0.00 0.00 -0.42 0.00 0.00 29.97 30.73 2c3u h ARG 1077CO 0.95 0.15 0.00 1.63 -1.51 0.00 0.00 179.97 181.19 2c3u n LYS 1078N -4.42 3.20 0.00 0.20 5.02 -1.26 -5.07 118.16 115.83 2c3u n LYS 1078Ca 0.18 -2.58 0.00 0.00 -2.02 0.00 0.00 58.31 53.88 2c3u n LYS 1078Cb 0.76 -1.65 0.00 0.00 -0.02 0.00 0.00 35.03 34.12 2c3u n LYS 1078CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2c3u n GLY 1079N 0.58 2.43 0.00 0.72 0.00 -0.88 -4.69 105.19 103.34 2c3u n GLY 1079Ca 0.20 -1.89 0.09 0.00 0.00 0.00 0.00 46.02 44.42 2c3u n GLY 1079CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 2c3u n MET 1080N 1.44 0.14 0.00 1.61 2.81 -1.26 -2.11 117.12 119.75 2c3u n MET 1080Ca 0.00 0.14 0.08 0.00 -1.81 0.00 0.00 57.70 56.11 2c3u n MET 1080Cb 0.00 -1.50 0.38 0.00 -0.71 0.00 0.00 33.22 31.39 2c3u n MET 1080CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2c3u n GLY 1081N 0.36 -0.94 1.55 3.03 0.00 -1.22 -1.68 105.19 106.29 2c3u n GLY 1081Ca 0.07 -0.07 0.10 0.00 0.00 0.00 0.00 46.02 46.13 2c3u n GLY 1081CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2c3u n LYS 1082N -1.39 3.44 -0.06 1.61 4.76 -0.90 -3.69 118.16 121.94 2c3u n LYS 1082Ca 0.06 -2.84 -0.07 0.00 -2.87 0.00 0.00 58.31 52.58 2c3u n LYS 1082Cb 0.16 -1.80 -0.01 0.00 -1.84 0.00 0.00 35.03 31.53 2c3u n LYS 1082CO 0.00 0.00 0.00 0.77 -1.37 0.00 0.00 177.40 176.80 2c3u h SER 1083N 4.26 -0.34 -0.94 4.39 0.02 -1.53 0.24 113.55 119.65 2c3u h SER 1083Ca 0.00 0.09 -0.00 0.00 -0.84 0.00 0.00 61.79 61.04 2c3u h SER 1083Cb 1.32 0.20 -0.05 0.00 0.14 0.00 0.00 62.40 64.01 2c3u h SER 1083CO 0.16 -0.13 0.59 1.56 -1.14 0.00 0.00 176.83 177.87 2c3u h GLN 1084N -0.06 1.27 -0.50 3.45 1.08 -1.85 0.20 115.11 118.71 2c3u h GLN 1084Ca 0.13 -0.10 -0.05 0.00 -1.45 0.00 0.00 58.65 57.17 2c3u h GLN 1084Cb 0.25 -0.27 -0.02 0.00 -0.05 0.00 0.00 27.48 27.38 2c3u h GLN 1084CO -0.29 0.87 0.11 0.22 -0.95 0.00 0.00 178.83 178.80 2c3u h ASP 1085N 1.29 0.76 -0.63 1.46 3.58 -1.70 -0.61 116.42 120.58 2c3u h ASP 1085Ca 0.34 -0.24 -0.06 0.00 0.42 0.00 0.00 57.03 57.49 2c3u h ASP 1085Cb -0.09 -0.20 -0.03 0.00 1.72 0.00 0.00 39.33 40.74 2c3u h ASP 1085CO -0.07 0.81 0.15 0.58 -2.88 0.00 0.00 179.24 177.83 2c3u h VAL 1086N 0.69 1.25 -0.71 2.25 2.07 0.20 0.06 116.25 122.07 2c3u h VAL 1086Ca 0.15 -0.93 -0.04 0.00 0.82 0.00 0.00 66.70 66.71 2c3u h VAL 1086Cb 0.35 0.65 -0.03 0.00 -1.52 0.00 0.00 31.29 30.74 2c3u h VAL 1086CO 0.00 0.35 0.30 0.24 0.02 0.00 0.00 177.57 178.48 2c3u h MET 1087N 0.92 1.06 -0.04 1.57 2.86 -0.45 0.20 114.93 121.04 2c3u h MET 1087Ca 0.20 -0.18 0.01 0.00 -2.06 0.00 0.00 59.70 57.67 2c3u h MET 1087Cb 0.36 -0.18 -0.01 0.00 0.06 0.00 0.00 31.60 31.83 2c3u h MET 1087CO 0.00 0.86 -0.03 -0.97 1.06 0.00 0.00 176.91 177.83 2c3u h ASN 1088N 1.01 -0.11 0.11 1.22 -0.00 -0.60 -2.42 115.58 114.81 2c3u h ASN 1088Ca 0.24 0.02 -0.07 0.00 -0.00 0.00 0.00 56.30 56.49 2c3u h ASN 1088Cb 0.19 0.06 -0.01 0.00 -0.00 0.00 0.00 38.32 38.55 2c3u h ASN 1088CO -0.02 -0.05 -0.24 0.74 -0.00 0.00 0.00 177.43 177.86 2c3u h THR 1089N -0.04 1.23 -0.09 -3.57 2.02 -0.64 -1.69 112.91 110.13 2c3u h THR 1089Ca 0.03 -1.08 -0.00 0.00 0.77 0.00 0.00 66.41 66.13 2c3u h THR 1089Cb 0.08 1.40 -0.00 0.00 -1.74 0.00 0.00 68.15 67.89 2c3u h THR 1089CO -0.07 0.33 0.05 0.00 0.37 0.00 0.00 175.52 176.19 2c3u h ALA 1090N 1.54 1.91 0.00 6.16 0.00 -0.13 -0.72 119.26 128.02 2c3u h ALA 1090Ca 0.04 -0.02 -0.15 0.00 0.00 0.00 0.00 54.91 54.77 2c3u h ALA 1090Cb 0.55 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.28 2c3u h ALA 1090CO 0.04 0.08 -0.85 0.28 0.00 0.00 0.00 179.25 178.80 2c3u h VAL 1091N 0.13 1.08 -0.82 0.00 2.07 -1.15 0.48 116.25 118.04 2c3u h VAL 1091Ca 0.03 -2.13 0.11 0.00 0.82 0.00 0.00 66.70 65.54 2c3u h VAL 1091Cb 0.01 2.35 -0.06 0.00 -1.52 0.00 0.00 31.29 32.08 2c3u h VAL 1091CO -0.01 0.37 0.53 0.11 0.02 0.00 0.00 177.57 178.59 2c3u h LYS 1092N -1.00 0.68 0.00 1.57 1.57 -1.19 -0.54 116.57 117.66 2c3u h LYS 1092Ca -0.23 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.51 2c3u h LYS 1092Cb 1.14 -0.15 0.00 0.00 0.08 0.00 0.00 32.23 33.30 2c3u h LYS 1092CO -0.14 0.45 0.00 -1.13 -0.57 0.00 0.00 179.45 178.06 2c3u n SER 1093N -4.52 0.18 0.00 0.86 3.41 -0.29 -2.14 113.62 111.12 2c3u n SER 1093Ca 0.15 0.53 0.00 0.00 -0.26 0.00 0.00 58.87 59.29 2c3u n SER 1093Cb 0.38 -0.58 0.00 0.00 -0.26 0.00 0.00 64.21 63.75 2c3u n SER 1093CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2c3u n GLY 1094N 0.48 1.14 0.26 5.00 0.00 -0.21 -4.21 105.19 107.64 2c3u n GLY 1094Ca 0.04 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.00 2c3u n GLY 1094CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 2c3u h TYR 1095N 0.00 0.84 -2.54 1.61 3.20 -1.69 -3.36 116.97 115.04 2c3u h TYR 1095Ca 0.00 -0.03 -0.60 0.00 3.14 0.00 0.00 58.73 61.25 2c3u h TYR 1095Cb 0.00 -0.27 -0.40 0.00 1.54 0.00 0.00 36.73 37.60 2c3u h TYR 1095CO 0.00 0.62 -0.77 1.87 -1.64 0.00 0.00 178.16 178.24 2c3u n TRP 1096N -4.56 1.63 -2.06 -3.82 -0.00 0.17 -5.01 117.44 103.79 2c3u n TRP 1096Ca 0.04 -3.89 -0.40 0.00 -0.00 0.00 0.00 57.50 53.26 2c3u n TRP 1096Cb 0.10 -0.32 -0.01 0.00 -0.00 0.00 0.00 31.31 31.08 2c3u n TRP 1096CO 0.00 0.00 0.00 -1.25 -0.00 0.00 0.00 177.69 176.44 2c3u s PRO 1097N -1.21 4.01 -0.11 5.87 0.04 -1.26 -4.19 135.00 138.15 2c3u s PRO 1097Ca 0.32 2.16 -0.05 0.00 0.04 0.00 0.00 61.00 63.47 2c3u s PRO 1097Cb 0.05 -2.79 -0.04 0.00 0.04 0.00 0.00 34.50 31.77 2c3u s PRO 1097CO -0.14 -0.46 0.07 -0.51 0.04 0.00 0.00 177.00 176.00 2c3u s LEU 1098N -2.37 3.99 0.33 -3.56 1.43 -1.26 -4.87 118.68 112.38 2c3u s LEU 1098Ca 0.56 0.30 -0.18 0.00 -1.03 0.00 0.00 54.13 53.78 2c3u s LEU 1098Cb -0.38 -1.95 0.04 0.00 0.03 0.00 0.00 46.19 43.92 2c3u s LEU 1098CO 0.49 0.38 0.74 0.72 0.23 0.00 0.00 176.35 178.91 2c3u s PHE 1099N -0.87 0.02 -0.07 0.29 -0.12 -1.25 -0.33 117.98 115.64 2c3u s PHE 1099Ca 0.13 -0.58 -0.03 0.00 -0.05 0.00 0.00 56.93 56.40 2c3u s PHE 1099Cb -0.12 0.74 0.04 0.00 -0.63 0.00 0.00 43.02 43.05 2c3u s PHE 1099CO 0.03 -1.40 0.17 1.03 -0.05 0.00 0.00 175.22 175.00 2c3u s ARG 1100N -3.09 0.12 -0.48 1.99 0.52 -0.56 -2.27 118.95 115.18 2c3u s ARG 1100Ca 0.14 0.41 -0.02 0.00 -0.52 0.00 0.00 55.73 55.73 2c3u s ARG 1100Cb -0.05 -0.16 0.13 0.00 0.52 0.00 0.00 34.95 35.39 2c3u s ARG 1100CO 0.10 -0.16 0.28 -0.47 0.02 0.00 0.00 175.30 175.06 2c3u s TYR 1101N 1.17 3.52 -0.40 -0.53 5.04 0.24 -0.90 117.35 125.49 2c3u s TYR 1101Ca -0.09 -2.57 -0.12 0.00 -2.44 0.00 0.00 57.07 51.85 2c3u s TYR 1101Cb -0.11 -3.19 0.04 0.00 0.35 0.00 0.00 41.96 39.05 2c3u s TYR 1101CO -0.06 -0.92 0.26 0.34 -1.34 0.00 0.00 175.55 173.82 2c3u s ASP 1102N 1.32 5.83 0.63 4.32 -1.08 0.26 -1.97 116.67 125.97 2c3u s ASP 1102Ca 0.12 -1.13 0.39 0.00 -0.52 0.00 0.00 52.55 51.41 2c3u s ASP 1102Cb -0.22 -2.06 2.13 0.00 -1.46 0.00 0.00 42.92 41.31 2c3u s ASP 1102CO -0.04 -0.46 2.29 -0.65 0.52 0.00 0.00 175.17 176.83 2c3u h PRO 1103N 8.50 0.00 0.00 4.34 0.11 -1.85 -2.39 132.00 140.71 2c3u h PRO 1103Ca -0.26 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.85 2c3u h PRO 1103Cb 1.10 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.21 2c3u h PRO 1103CO 0.72 0.01 0.00 0.07 -0.21 0.00 0.00 178.00 178.59 2c3u h ARG 1104N 0.00 0.00 -0.24 1.05 0.11 -1.94 -1.99 114.38 111.36 2c3u h ARG 1104Ca -0.00 0.00 -0.18 0.00 0.10 0.00 0.00 59.98 59.90 2c3u h ARG 1104Cb 0.08 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.17 2c3u h ARG 1104CO 0.00 0.00 -0.53 -0.07 0.10 0.00 0.00 179.97 179.47 2c3u h LEU 1105N 0.00 0.89 -0.73 0.08 3.38 -1.73 -2.68 115.31 114.52 2c3u h LEU 1105Ca 0.00 -0.55 -0.01 0.00 0.09 0.00 0.00 57.88 57.41 2c3u h LEU 1105Cb 0.63 -0.26 -0.04 0.00 0.09 0.00 0.00 40.66 41.09 2c3u h LEU 1105CO 0.00 1.28 0.44 0.00 0.09 0.00 0.00 178.44 180.24 2c3u h ALA 1106N 0.64 0.93 -0.19 1.53 0.00 -1.32 0.72 119.26 121.56 2c3u h ALA 1106Ca 0.00 -0.09 0.06 0.00 0.00 0.00 0.00 54.91 54.88 2c3u h ALA 1106Cb 1.14 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.63 2c3u h ALA 1106CO 0.12 0.41 0.21 0.00 0.00 0.00 0.00 179.25 179.99 2c3u h ALA 1107N 1.23 1.82 -0.85 0.00 0.00 -1.12 -2.04 119.26 118.30 2c3u h ALA 1107Ca 0.26 -0.01 -0.59 0.00 0.00 0.00 0.00 54.91 54.58 2c3u h ALA 1107Cb -0.03 0.01 -0.39 0.00 0.00 0.00 0.00 17.79 17.38 2c3u h ALA 1107CO -0.05 -0.31 -0.39 0.00 0.00 0.00 0.00 179.25 178.49 2c3u n GLN 1108N -3.80 3.38 -0.39 0.00 10.64 -0.10 -4.73 117.38 122.39 2c3u n GLN 1108Ca 0.02 -3.97 0.00 0.00 -1.83 0.00 0.00 57.00 51.21 2c3u n GLN 1108Cb 0.34 -2.28 0.00 0.00 -0.86 0.00 0.00 30.24 27.44 2c3u n GLN 1108CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 2c3u n GLY 1109N -0.74 0.66 3.96 2.61 0.00 -0.77 -4.99 105.19 105.92 2c3u n GLY 1109Ca 0.48 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 46.29 2c3u n GLY 1109CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2c3u s LYS 1110N -0.37 3.02 -0.10 1.61 1.02 0.05 -4.96 119.74 120.01 2c3u s LYS 1110Ca 0.00 -0.66 -0.30 0.00 0.02 0.00 0.00 55.97 55.04 2c3u s LYS 1110Cb 0.00 -2.62 -0.03 0.00 -0.52 0.00 0.00 37.83 34.66 2c3u s LYS 1110CO 0.00 -0.23 1.29 1.21 -0.92 0.00 0.00 175.35 176.70 2c3u s ASN 1111N -4.23 6.94 0.50 2.83 3.84 -1.26 -2.89 114.94 120.67 2c3u s ASN 1111Ca 0.48 1.83 0.21 0.00 0.21 0.00 0.00 52.86 55.60 2c3u s ASN 1111Cb -0.10 -2.55 1.29 0.00 -0.55 0.00 0.00 41.25 39.35 2c3u s ASN 1111CO 0.36 -0.71 2.07 1.55 -2.79 0.00 0.00 177.10 177.58 2c3u h PRO 1112N 8.02 0.00 -5.58 0.43 0.13 -1.87 -3.43 132.00 129.70 2c3u h PRO 1112Ca -0.31 0.00 -0.59 0.00 -0.87 0.00 0.00 66.00 64.22 2c3u h PRO 1112Cb 1.14 0.00 -0.10 0.00 0.13 0.00 0.00 31.00 32.17 2c3u h PRO 1112CO 0.93 0.12 -0.06 0.12 -0.23 0.00 0.00 178.00 178.89 2c3u s PHE 1113N -4.52 3.40 -0.06 1.56 5.36 -1.26 -0.57 117.98 121.89 2c3u s PHE 1113Ca -0.04 0.80 0.02 0.00 -0.96 0.00 0.00 56.93 56.76 2c3u s PHE 1113Cb 0.15 -2.65 0.01 0.00 -0.34 0.00 0.00 43.02 40.19 2c3u s PHE 1113CO 0.63 -0.05 -0.13 -0.65 -1.46 0.00 0.00 175.22 173.57 2c3u s GLN 1114N 1.43 1.70 -0.07 10.12 -0.21 -0.08 -4.51 119.66 128.04 2c3u s GLN 1114Ca 0.24 -0.43 -0.21 0.00 0.02 0.00 0.00 55.36 54.99 2c3u s GLN 1114Cb -0.15 -1.41 -0.04 0.00 1.00 0.00 0.00 33.01 32.41 2c3u s GLN 1114CO 0.10 0.05 0.59 -1.17 -2.12 0.00 0.00 175.29 172.74 2c3u s LEU 1115N 0.59 4.32 0.00 2.90 0.20 -1.26 -1.49 118.68 123.94 2c3u s LEU 1115Ca -0.13 1.04 0.13 0.00 0.69 0.00 0.00 54.13 55.86 2c3u s LEU 1115Cb -0.15 -2.90 -0.03 0.00 -0.43 0.00 0.00 46.19 42.67 2c3u s LEU 1115CO 0.04 -0.03 0.70 0.47 -0.29 0.00 0.00 176.35 177.23 2c3u n ASP 1116N 3.53 1.24 -4.42 3.68 8.00 0.55 -4.97 116.55 124.15 2c3u n ASP 1116Ca -0.05 -1.12 -0.21 0.00 0.71 0.00 0.00 54.79 54.12 2c3u n ASP 1116Cb 0.51 0.58 -0.10 0.00 -0.02 0.00 0.00 41.12 42.09 2c3u n ASP 1116CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 2c3u s SER 1117N -1.74 2.77 0.62 -2.24 1.04 -1.18 -4.89 113.70 108.08 2c3u s SER 1117Ca 0.09 -1.18 -0.05 0.00 0.48 0.00 0.00 55.95 55.30 2c3u s SER 1117Cb 0.10 -0.17 0.03 0.00 0.10 0.00 0.00 66.02 66.08 2c3u s SER 1117CO 0.37 -0.32 0.91 -0.54 0.98 0.00 0.00 173.24 174.64 2c3u s LYS 1118N -3.72 2.65 0.93 4.02 1.02 -1.26 -4.91 119.74 118.47 2c3u s LYS 1118Ca 0.29 -0.19 -0.10 0.00 0.02 0.00 0.00 55.97 55.99 2c3u s LYS 1118Cb 0.03 -2.27 0.15 0.00 -0.52 0.00 0.00 37.83 35.22 2c3u s LYS 1118CO 0.12 -0.85 1.14 0.00 -0.92 0.00 0.00 175.35 174.83 2c3u s ALA 1119N -3.03 1.38 0.05 5.17 0.00 -1.26 -4.79 121.76 119.29 2c3u s ALA 1119Ca 0.56 0.55 -0.37 0.00 0.00 0.00 0.00 51.96 52.71 2c3u s ALA 1119Cb -0.11 -3.44 -0.16 0.00 0.00 0.00 0.00 23.12 19.42 2c3u s ALA 1119CO 0.44 -2.81 1.44 -2.30 0.00 0.00 0.00 175.76 172.53 2c3u n PRO 1120N -4.27 1.34 -0.04 0.00 -0.02 -1.26 -4.77 135.00 125.98 2c3u n PRO 1120Ca 0.11 0.48 0.12 0.00 -2.02 0.00 0.00 63.50 62.20 2c3u n PRO 1120Cb 0.52 -2.16 0.42 0.00 -0.02 0.00 0.00 33.50 32.26 2c3u n PRO 1120CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 2c3u n ASP 1121N 3.09 1.75 0.00 2.55 5.75 -0.91 -4.94 116.55 123.83 2c3u n ASP 1121Ca 0.19 -1.64 0.00 0.00 -0.01 0.00 0.00 54.79 53.33 2c3u n ASP 1121Cb 0.20 -0.06 0.00 0.00 -1.03 0.00 0.00 41.12 40.23 2c3u n ASP 1121CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2c3u n GLY 1122N 1.18 0.73 0.66 6.12 0.00 -1.26 -4.97 105.19 107.64 2c3u n GLY 1122Ca 0.17 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.29 2c3u n GLY 1122CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2c3u n SER 1123N 0.00 1.95 -0.15 1.61 3.41 -1.26 -4.58 113.62 114.60 2c3u n SER 1123Ca 0.00 -1.81 -0.10 0.00 -0.26 0.00 0.00 58.87 56.69 2c3u n SER 1123Cb 0.00 -0.16 -0.05 0.00 -0.26 0.00 0.00 64.21 63.74 2c3u n SER 1123CO 0.00 0.00 0.00 0.58 -0.16 0.00 0.00 175.04 175.46 2c3u h VAL 1124N 2.45 0.09 -0.64 -3.33 2.07 -1.93 -0.23 116.25 114.73 2c3u h VAL 1124Ca 0.00 0.00 0.12 0.00 0.82 0.00 0.00 66.70 67.64 2c3u h VAL 1124Cb 0.54 0.09 -0.12 0.00 -1.52 0.00 0.00 31.29 30.28 2c3u h VAL 1124CO 0.00 0.00 -0.21 -0.08 0.02 0.00 0.00 177.57 177.30 2c3u h GLU 1125N -0.32 -0.05 -0.49 1.57 4.57 -1.94 0.43 114.58 118.35 2c3u h GLU 1125Ca 0.14 0.00 -0.10 0.00 -1.18 0.00 0.00 59.36 58.22 2c3u h GLU 1125Cb 0.58 0.01 -0.02 0.00 -0.16 0.00 0.00 28.75 29.17 2c3u h GLU 1125CO -0.60 -0.03 -0.09 1.05 -1.18 0.00 0.00 179.01 178.15 2c3u h GLU 1126N -0.05 0.89 -0.16 1.92 9.09 -1.73 0.23 114.58 124.78 2c3u h GLU 1126Ca 0.29 -0.30 0.03 0.00 0.05 0.00 0.00 59.36 59.43 2c3u h GLU 1126Cb 0.51 -0.07 -0.03 0.00 -1.65 0.00 0.00 28.75 27.50 2c3u h GLU 1126CO -0.68 0.94 -0.04 0.35 0.05 0.00 0.00 179.01 179.64 2c3u h PHE 1127N 0.80 -0.08 0.01 2.06 3.57 0.96 -1.75 116.94 122.52 2c3u h PHE 1127Ca 0.13 0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.65 2c3u h PHE 1127Cb 0.61 0.06 0.00 0.00 2.79 0.00 0.00 35.95 39.41 2c3u h PHE 1127CO 0.04 -0.07 -0.01 -0.07 -2.23 0.00 0.00 178.31 175.97 2c3u h LEU 1128N 0.00 -0.02 -1.04 0.59 3.38 -0.08 -3.11 115.31 115.04 2c3u h LEU 1128Ca 0.08 -0.37 0.00 0.00 0.09 0.00 0.00 57.88 57.68 2c3u h LEU 1128Cb 0.12 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.87 2c3u h LEU 1128CO -0.16 0.36 0.00 0.23 0.09 0.00 0.00 178.44 178.96 2c3u n MET 1129N -4.92 0.13 0.00 1.13 2.81 0.05 -1.20 117.12 115.12 2c3u n MET 1129Ca -0.08 0.56 0.15 0.00 -1.81 0.00 0.00 57.70 56.51 2c3u n MET 1129Cb 0.20 -1.86 0.67 0.00 -0.71 0.00 0.00 33.22 31.52 2c3u n MET 1129CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 2c3u n ALA 1130N -1.73 2.67 -3.02 3.04 0.00 -0.66 -4.68 120.51 116.13 2c3u n ALA 1130Ca -0.00 -0.33 -0.32 0.00 0.00 0.00 0.00 53.44 52.79 2c3u n ALA 1130Cb 0.08 -1.31 -0.16 0.00 0.00 0.00 0.00 19.45 18.05 2c3u n ALA 1130CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 2c3u s GLN 1131N -2.12 2.90 0.44 0.00 -0.21 -0.34 -1.22 119.66 119.11 2c3u s GLN 1131Ca 0.39 -0.86 0.13 0.00 0.02 0.00 0.00 55.36 55.04 2c3u s GLN 1131Cb 0.21 -2.29 0.97 0.00 1.00 0.00 0.00 33.01 32.90 2c3u s GLN 1131CO 0.38 0.27 1.99 -0.97 -2.12 0.00 0.00 175.29 174.84 2c3u h ASN 1132N 6.45 0.06 0.00 5.90 -0.73 -0.93 0.00 115.58 126.34 2c3u h ASN 1132Ca -0.25 -0.01 0.00 0.00 1.87 0.00 0.00 56.30 57.91 2c3u h ASN 1132Cb 1.21 -0.02 0.00 0.00 0.27 0.00 0.00 38.32 39.79 2c3u h ASN 1132CO 0.48 0.21 0.04 0.08 -0.37 0.00 0.00 177.43 177.88 2c3u h ARG 1133N 0.07 0.00 0.00 6.67 0.11 -1.76 -0.51 114.38 118.96 2c3u h ARG 1133Ca 0.01 0.00 -0.27 0.00 0.10 0.00 0.00 59.98 59.83 2c3u h ARG 1133Cb 0.29 0.00 -0.05 0.00 1.11 0.00 0.00 29.97 31.33 2c3u h ARG 1133CO 0.02 0.00 -1.97 1.19 0.10 0.00 0.00 179.97 179.31 2c3u n PHE 1134N -3.01 0.00 0.19 4.08 3.01 -0.68 -0.01 117.46 121.04 2c3u n PHE 1134Ca -0.03 0.00 0.05 0.00 1.01 0.00 0.00 57.45 58.48 2c3u n PHE 1134Cb 0.11 -0.64 0.50 0.00 -0.01 0.00 0.00 39.48 39.43 2c3u n PHE 1134CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 2c3u h ALA 1135N -0.20 1.71 -0.22 4.37 0.00 -0.78 -2.45 119.26 121.69 2c3u h ALA 1135Ca -0.40 -0.14 -0.06 0.00 0.00 0.00 0.00 54.91 54.31 2c3u h ALA 1135Cb 1.52 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 19.26 2c3u h ALA 1135CO -0.13 0.22 -0.14 -0.39 0.00 0.00 0.00 179.25 178.81 2c3u h VAL 1136N 0.08 1.21 -0.33 0.00 -1.51 -1.35 -1.89 116.25 112.47 2c3u h VAL 1136Ca 0.02 -0.96 -0.05 0.00 -1.23 0.00 0.00 66.70 64.48 2c3u h VAL 1136Cb 0.25 1.21 -0.01 0.00 -2.13 0.00 0.00 31.29 30.61 2c3u h VAL 1136CO 0.02 0.30 0.01 0.25 -1.23 0.00 0.00 177.57 176.92 2c3u h LEU 1137N 0.35 0.55 -0.97 4.19 6.46 -1.68 -2.03 115.31 122.19 2c3u h LEU 1137Ca 0.07 -0.30 0.02 0.00 -0.12 0.00 0.00 57.88 57.55 2c3u h LEU 1137Cb 0.46 -0.15 -0.05 0.00 -0.73 0.00 0.00 40.66 40.19 2c3u h LEU 1137CO 0.03 0.71 0.64 -0.78 -0.62 0.00 0.00 178.44 178.42 2c3u h ASP 1138N 0.38 1.08 0.78 1.25 3.58 -1.31 1.50 116.42 123.67 2c3u h ASP 1138Ca 0.09 -0.02 -0.12 0.00 0.42 0.00 0.00 57.03 57.40 2c3u h ASP 1138Cb 0.42 -0.26 -0.02 0.00 1.72 0.00 0.00 39.33 41.20 2c3u h ASP 1138CO 0.01 0.76 -0.58 0.03 -2.88 0.00 0.00 179.24 176.58 2c3u h ARG 1139N 1.26 0.00 0.00 0.28 3.08 -1.27 -2.75 114.38 114.98 2c3u h ARG 1139Ca 0.37 0.00 -0.25 0.00 0.07 0.00 0.00 59.98 60.17 2c3u h ARG 1139Cb -0.07 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 29.93 2c3u h ARG 1139CO -0.10 0.58 -2.27 0.43 -1.07 0.00 0.00 179.97 177.54 2c3u n SER 1140N -3.64 0.00 -3.09 7.04 7.64 -0.77 -4.73 113.62 116.07 2c3u n SER 1140Ca -0.01 0.00 -0.18 0.00 1.01 0.00 0.00 58.87 59.69 2c3u n SER 1140Cb 0.63 1.31 -0.02 0.00 -1.01 0.00 0.00 64.21 65.12 2c3u n SER 1140CO 0.00 0.00 0.00 0.49 -3.01 0.00 0.00 175.04 172.52 2c3u n PHE 1141N -2.60 -0.72 -0.31 1.43 3.01 0.51 -5.02 117.46 113.76 2c3u n PHE 1141Ca -0.24 -3.32 0.15 0.00 1.01 0.00 0.00 57.45 55.04 2c3u n PHE 1141Cb 0.97 0.05 0.31 0.00 -0.01 0.00 0.00 39.48 40.80 2c3u n PHE 1141CO 0.00 0.00 0.00 -1.00 1.01 0.00 0.00 176.76 176.77 2c3u h PRO 1142N 3.44 0.09 0.49 -1.08 0.13 -1.57 0.41 132.00 133.91 2c3u h PRO 1142Ca 0.04 -0.01 -0.02 0.00 -0.87 0.00 0.00 66.00 65.14 2c3u h PRO 1142Cb 0.96 -0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.07 2c3u h PRO 1142CO 0.42 0.06 -0.24 0.93 -0.23 0.00 0.00 178.00 178.94 2c3u h GLU 1143N 0.10 -0.64 -0.73 0.86 5.08 -1.92 -1.36 114.58 115.96 2c3u h GLU 1143Ca 0.59 0.04 0.07 0.00 -1.00 0.00 0.00 59.36 59.06 2c3u h GLU 1143Cb 1.23 0.15 -0.06 0.00 0.50 0.00 0.00 28.75 30.57 2c3u h GLU 1143CO -0.78 -0.43 0.41 -0.44 -1.00 0.00 0.00 179.01 176.78 2c3u h ASP 1144N -0.67 0.61 -0.95 1.42 3.45 -1.88 -1.91 116.42 116.50 2c3u h ASP 1144Ca -0.07 0.03 0.08 0.00 0.43 0.00 0.00 57.03 57.51 2c3u h ASP 1144Cb 0.51 -0.09 -0.07 0.00 -0.56 0.00 0.00 39.33 39.13 2c3u h ASP 1144CO 0.10 0.38 0.60 0.00 -1.57 0.00 0.00 179.24 178.75 2c3u h ALA 1145N 1.39 1.35 -0.13 3.45 0.00 -0.90 0.46 119.26 124.87 2c3u h ALA 1145Ca 0.34 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.24 2c3u h ALA 1145Cb 0.24 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 2c3u h ALA 1145CO -0.20 0.30 0.06 -0.22 0.00 0.00 0.00 179.25 179.18 2c3u h LYS 1146N 1.03 0.20 0.06 0.00 3.64 -0.50 -1.27 116.57 119.73 2c3u h LYS 1146Ca 0.43 -0.03 -0.00 0.00 -1.27 0.00 0.00 60.65 59.78 2c3u h LYS 1146Cb 0.29 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.07 2c3u h LYS 1146CO -0.21 0.28 -0.03 -0.09 -2.27 0.00 0.00 179.45 177.13 2c3u h ARG 1147N 0.07 -0.08 -0.89 1.90 2.43 -0.62 -1.35 114.38 115.83 2c3u h ARG 1147Ca 0.04 0.01 0.01 0.00 -0.81 0.00 0.00 59.98 59.23 2c3u h ARG 1147Cb 0.16 0.02 -0.04 0.00 -0.42 0.00 0.00 29.97 29.68 2c3u h ARG 1147CO -0.00 -0.03 0.58 -0.07 -1.51 0.00 0.00 179.97 178.94 2c3u h LEU 1148N -0.11 1.03 -1.07 3.80 3.38 -0.07 -0.54 115.31 121.73 2c3u h LEU 1148Ca -0.01 -0.03 -0.10 0.00 0.09 0.00 0.00 57.88 57.83 2c3u h LEU 1148Cb 0.09 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.57 2c3u h LEU 1148CO 0.01 0.75 -0.45 0.03 0.09 0.00 0.00 178.44 178.88 2c3u h ARG 1149N 1.21 0.03 -0.22 1.13 3.08 -1.07 -1.67 114.38 116.86 2c3u h ARG 1149Ca 0.33 -0.02 -0.06 0.00 0.07 0.00 0.00 59.98 60.30 2c3u h ARG 1149Cb -0.13 -0.00 -0.01 0.00 0.08 0.00 0.00 29.97 29.91 2c3u h ARG 1149CO -0.07 0.48 -0.11 0.00 -1.07 0.00 0.00 179.97 179.20 2c3u h ALA 1150N 1.52 0.32 -0.47 0.04 0.00 -0.44 -2.03 119.26 118.20 2c3u h ALA 1150Ca -0.00 -0.30 0.05 0.00 0.00 0.00 0.00 54.91 54.66 2c3u h ALA 1150Cb 0.81 -0.08 -0.05 0.00 0.00 0.00 0.00 17.79 18.47 2c3u h ALA 1150CO 0.06 0.17 0.20 0.37 0.00 0.00 0.00 179.25 180.04 2c3u h GLN 1151N 0.18 0.38 -0.56 0.00 4.15 -0.86 -0.09 115.11 118.31 2c3u h GLN 1151Ca 0.05 -0.02 0.08 0.00 0.77 0.00 0.00 58.65 59.53 2c3u h GLN 1151Cb 0.61 -0.09 -0.06 0.00 0.21 0.00 0.00 27.48 28.15 2c3u h GLN 1151CO 0.03 0.25 0.21 0.28 -1.93 0.00 0.00 178.83 177.68 2c3u h VAL 1152N 0.39 0.81 -0.97 2.39 2.07 -1.20 0.38 116.25 120.12 2c3u h VAL 1152Ca 0.22 -0.14 0.01 0.00 0.82 0.00 0.00 66.70 67.61 2c3u h VAL 1152Cb 0.18 0.38 -0.05 0.00 -1.52 0.00 0.00 31.29 30.28 2c3u h VAL 1152CO -0.19 0.07 0.64 0.00 0.02 0.00 0.00 177.57 178.11 2c3u h ALA 1153N 1.37 1.31 -0.35 1.67 0.00 -0.43 -1.68 119.26 121.15 2c3u h ALA 1153Ca 0.27 -0.07 -0.12 0.00 0.00 0.00 0.00 54.91 55.00 2c3u h ALA 1153Cb 0.31 -0.39 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 2c3u h ALA 1153CO -0.27 0.64 -0.26 1.25 0.00 0.00 0.00 179.25 180.61 2c3u h HIS 1154N 1.31 0.93 -0.27 0.00 6.17 0.71 -2.14 115.15 121.85 2c3u h HIS 1154Ca 0.36 -0.26 -0.01 0.00 0.71 0.00 0.00 60.37 61.17 2c3u h HIS 1154Cb -0.15 -0.20 -0.01 0.00 2.52 0.00 0.00 27.41 29.57 2c3u h HIS 1154CO -0.00 1.02 0.13 0.93 0.71 0.00 0.00 177.93 180.73 2c3u h GLU 1155N 0.57 0.39 0.00 5.26 5.08 0.04 -0.95 114.58 124.97 2c3u h GLU 1155Ca 0.07 -0.06 -0.06 0.00 -1.00 0.00 0.00 59.36 58.31 2c3u h GLU 1155Cb 0.83 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 30.00 2c3u h GLU 1155CO 0.07 0.37 -0.29 1.37 -1.00 0.00 0.00 179.01 179.53 2c3u h LEU 1156N 0.31 0.00 -0.13 1.33 8.10 -1.34 -0.43 115.31 123.16 2c3u h LEU 1156Ca 0.09 0.00 -0.15 0.00 0.11 0.00 0.00 57.88 57.94 2c3u h LEU 1156Cb 0.11 0.00 0.01 0.00 -0.44 0.00 0.00 40.66 40.34 2c3u h LEU 1156CO -0.01 0.29 -0.49 -0.78 -4.11 0.00 0.00 178.44 173.34 2c3u h ASP 1157N 0.00 0.66 -0.15 0.17 3.58 -1.02 -2.23 116.42 117.43 2c3u h ASP 1157Ca -0.00 -0.62 -0.03 0.00 0.42 0.00 0.00 57.03 56.80 2c3u h ASP 1157Cb 0.69 -0.19 -0.01 0.00 1.72 0.00 0.00 39.33 41.54 2c3u h ASP 1157CO 0.04 1.16 -0.01 0.58 -2.88 0.00 0.00 179.24 178.13 2c3u h VAL 1158N 0.19 1.27 -0.50 2.25 2.07 -0.95 -2.77 116.25 117.81 2c3u h VAL 1158Ca -0.02 -0.90 0.07 0.00 0.82 0.00 0.00 66.70 66.66 2c3u h VAL 1158Cb 1.12 1.57 -0.06 0.00 -1.52 0.00 0.00 31.29 32.40 2c3u h VAL 1158CO 0.10 0.26 0.19 -0.09 0.02 0.00 0.00 177.57 178.05 2c3u h ARG 1159N -0.00 0.36 -0.58 1.57 2.43 -1.12 -1.40 114.38 115.63 2c3u h ARG 1159Ca 0.04 -0.02 -0.00 0.00 -0.81 0.00 0.00 59.98 59.18 2c3u h ARG 1159Cb 0.41 -0.08 -0.03 0.00 -0.42 0.00 0.00 29.97 29.85 2c3u h ARG 1159CO 0.01 0.24 0.35 0.35 -1.51 0.00 0.00 179.97 179.41 2c3u h PHE 1160N 0.37 0.77 -0.58 2.20 3.57 -1.39 -0.29 116.94 121.59 2c3u h PHE 1160Ca 0.24 -0.00 0.09 0.00 3.53 0.00 0.00 57.97 61.82 2c3u h PHE 1160Cb 0.24 -0.25 -0.07 0.00 2.79 0.00 0.00 35.95 38.66 2c3u h PHE 1160CO -0.15 0.53 0.21 0.87 -2.23 0.00 0.00 178.31 177.54 2c3u h LYS 1161N 0.79 0.38 -0.66 1.11 1.57 -1.06 0.16 116.57 118.86 2c3u h LYS 1161Ca 0.21 -0.02 -0.03 0.00 -1.87 0.00 0.00 60.65 58.94 2c3u h LYS 1161Cb -0.01 -0.09 -0.03 0.00 0.08 0.00 0.00 32.23 32.19 2c3u h LYS 1161CO -0.04 0.25 0.30 0.93 -0.57 0.00 0.00 179.45 180.32 2c3u h GLU 1162N 0.39 0.97 -0.28 3.15 5.08 -0.69 -1.52 114.58 121.68 2c3u h GLU 1162Ca 0.29 -0.16 -0.04 0.00 -1.00 0.00 0.00 59.36 58.46 2c3u h GLU 1162Cb 0.35 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 29.42 2c3u h GLU 1162CO -0.30 0.79 0.02 -0.07 -1.00 0.00 0.00 179.01 178.45 2c3u h LEU 1163N 0.93 0.39 -0.24 1.33 3.38 0.06 -1.72 115.31 119.44 2c3u h LEU 1163Ca 0.23 -0.06 -0.02 0.00 0.09 0.00 0.00 57.88 58.12 2c3u h LEU 1163Cb 0.16 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 40.80 2c3u h LEU 1163CO -0.02 0.44 0.08 -0.33 0.09 0.00 0.00 178.44 178.70 2c3u h GLU 1164N 0.41 0.38 -0.03 1.13 5.08 0.27 -2.06 114.58 119.76 2c3u h GLU 1164Ca 0.09 -0.08 -0.08 0.00 -1.00 0.00 0.00 59.36 58.30 2c3u h GLU 1164Cb 0.25 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.43 2c3u h GLU 1164CO 0.00 0.45 -0.36 1.25 -1.00 0.00 0.00 179.01 179.36 2c3u h HIS 1165N 0.23 0.06 -0.40 4.33 2.76 -1.02 -2.31 115.15 118.79 2c3u h HIS 1165Ca 0.08 -0.01 -0.00 0.00 -2.20 0.00 0.00 60.37 58.23 2c3u h HIS 1165Cb 0.23 -0.01 -0.02 0.00 1.55 0.00 0.00 27.41 29.15 2c3u h HIS 1165CO 0.00 0.40 0.23 0.52 -1.30 0.00 0.00 177.93 177.78 2c3u h MET 1166N 0.04 0.55 0.00 5.26 2.86 -1.02 -0.99 114.93 121.64 2c3u h MET 1166Ca 0.00 -0.06 -0.02 0.00 -2.06 0.00 0.00 59.70 57.57 2c3u h MET 1166Cb 0.65 -0.11 -0.00 0.00 0.06 0.00 0.00 31.60 32.20 2c3u h MET 1166CO 0.05 0.42 -0.09 0.00 1.06 0.00 0.00 176.91 178.35 2c3u h ALA 1167N 1.09 1.10 -0.12 6.32 0.00 -0.99 -2.71 119.26 123.95 2c3u h ALA 1167Ca 0.14 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.97 2c3u h ALA 1167Cb 0.02 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.80 2c3u h ALA 1167CO -0.03 0.11 0.00 0.00 0.00 0.00 0.00 179.25 179.34 2c3u n ALA 1168N -2.18 2.46 -1.69 0.00 0.00 -0.86 -4.97 120.51 113.27 2c3u n ALA 1168Ca -0.01 -0.75 -0.32 0.00 0.00 0.00 0.00 53.44 52.37 2c3u n ALA 1168Cb 0.28 -0.85 0.02 0.00 0.00 0.00 0.00 19.45 18.90 2c3u n ALA 1168CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.50 177.42 2c3u s THR 1169N -1.88 4.14 -0.07 0.00 -1.32 -0.43 -4.98 115.64 111.11 2c3u s THR 1169Ca 0.31 0.84 0.10 0.00 -1.21 0.00 0.00 61.69 61.73 2c3u s THR 1169Cb 0.21 -3.52 0.15 0.00 -1.51 0.00 0.00 72.50 67.83 2c3u s THR 1169CO 0.31 -0.77 1.05 -0.46 -2.21 0.00 0.00 174.62 172.54 2c3u n ASN 1170N -2.49 1.38 -4.11 8.08 0.23 -1.26 -4.86 115.26 112.23 2c3u n ASN 1170Ca 0.07 -2.50 -0.36 0.00 -0.53 0.00 0.00 54.58 51.27 2c3u n ASN 1170Cb 0.53 -0.29 -0.11 0.00 -2.08 0.00 0.00 39.78 37.83 2c3u n ASN 1170CO 0.00 0.00 0.00 -0.63 -0.93 0.00 0.00 177.26 175.70 2c3u s ILE 1171N -1.56 3.34 -0.05 1.53 -1.09 -1.26 -5.07 121.20 117.04 2c3u s ILE 1171Ca 0.16 -2.33 -0.09 0.00 -2.23 0.00 0.00 60.65 56.17 2c3u s ILE 1171Cb 0.14 -3.27 0.02 0.00 -1.58 0.00 0.00 42.46 37.77 2c3u s ILE 1171CO 0.02 -0.74 0.22 0.72 -1.23 0.00 0.00 174.94 173.93 2c3u s PHE 1172N 0.80 -0.16 0.41 3.97 -0.71 -1.26 -5.11 117.98 115.91 2c3u s PHE 1172Ca 0.11 0.36 -0.25 0.00 -1.04 0.00 0.00 56.93 56.11 2c3u s PHE 1172Cb -0.22 0.05 -0.08 0.00 -1.21 0.00 0.00 43.02 41.56 2c3u s PHE 1172CO -0.04 -0.21 1.18 -1.83 -1.34 0.00 0.00 175.22 172.98 2c3u s GLU 1173N -0.52 3.97 0.66 1.99 1.03 -1.26 -5.02 118.70 119.54 2c3u s GLU 1173Ca -0.06 1.86 -0.14 0.00 0.03 0.00 0.00 54.97 56.66 2c3u s GLU 1173Cb -0.04 -2.62 -0.01 0.00 -0.80 0.00 0.00 34.13 30.66 2c3u s GLU 1173CO 0.01 -0.40 1.07 0.45 -1.33 0.00 0.00 175.26 175.07 2c3u s SER 1174N -1.14 5.38 -0.02 0.83 0.15 -1.26 -4.68 113.70 112.96 2c3u s SER 1174Ca 0.59 1.80 0.07 0.00 0.70 0.00 0.00 55.95 59.10 2c3u s SER 1174Cb -0.31 -2.53 -0.02 0.00 -1.71 0.00 0.00 66.02 61.46 2c3u s SER 1174CO 0.39 -1.44 -0.22 0.12 1.20 0.00 0.00 173.24 173.29 2c3u s PHE 1175N -2.64 1.97 -0.18 3.44 5.36 -1.26 -4.88 117.98 119.79 2c3u s PHE 1175Ca 0.62 -0.40 -0.05 0.00 -0.96 0.00 0.00 56.93 56.15 2c3u s PHE 1175Cb -0.17 -1.28 0.06 0.00 -0.34 0.00 0.00 43.02 41.30 2c3u s PHE 1175CO 0.45 -0.05 0.09 0.00 -1.46 0.00 0.00 175.22 174.25 2c3u s ALA 1176N -0.46 0.44 0.63 11.12 0.00 -1.26 -4.57 121.76 127.66 2c3u s ALA 1176Ca 0.07 -0.39 0.29 0.00 0.00 0.00 0.00 51.96 51.93 2c3u s ALA 1176Cb -0.09 -1.07 1.53 0.00 0.00 0.00 0.00 23.12 23.49 2c3u s ALA 1176CO -0.00 -1.22 1.90 -1.35 0.00 0.00 0.00 175.76 175.08 2c3u h PRO 1177N 8.42 0.00 0.00 0.00 0.11 -2.00 -3.45 132.00 135.08 2c3u h PRO 1177Ca -0.16 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.95 2c3u h PRO 1177Cb 1.13 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.24 2c3u h PRO 1177CO 0.31 0.00 0.00 0.00 -0.21 0.00 0.00 178.00 178.10 2c3u n ALA 1178N -2.08 0.00 0.00 -0.75 0.00 -1.26 -5.09 120.51 111.34 2c3u n ALA 1178Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.46 2c3u n ALA 1178Cb 0.51 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.96 2c3u n ALA 1178CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2c3u n GLY 1179N 0.00 2.02 0.00 0.00 0.00 -1.26 -5.13 105.19 100.82 2c3u n GLY 1179Ca 0.00 -0.65 0.00 0.00 0.00 0.00 0.00 46.02 45.37 2c3u n GLY 1179CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2c3u n GLY 1180N 0.00 0.45 4.59 -0.02 0.00 -1.26 -5.11 105.19 103.85 2c3u n GLY 1180Ca 0.00 -1.15 0.00 0.00 0.00 0.00 0.00 46.02 44.87 2c3u n GLY 1180CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2c3u n LYS 1181N 0.00 0.00 -0.84 1.61 5.02 -1.26 -5.03 118.16 117.66 2c3u n LYS 1181Ca 0.00 0.00 0.08 0.00 -2.02 0.00 0.00 58.31 56.37 2c3u n LYS 1181Cb 0.00 0.00 -0.04 0.00 -0.02 0.00 0.00 35.03 34.97 2c3u n LYS 1181CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2c3u n ALA 1182N 2.60 -1.98 -2.20 7.82 0.00 -1.26 -4.86 120.51 120.63 2c3u n ALA 1182Ca 0.00 0.48 -0.41 0.00 0.00 0.00 0.00 53.44 53.52 2c3u n ALA 1182Cb 0.00 -0.94 -0.05 0.00 0.00 0.00 0.00 19.45 18.47 2c3u n ALA 1182CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2c3u s ASP 1183N -5.54 7.46 0.00 0.00 2.15 -1.26 -4.95 116.67 114.53 2c3u s ASP 1183Ca 0.00 1.75 0.00 0.00 0.43 0.00 0.00 52.55 54.73 2c3u s ASP 1183Cb 0.00 -2.56 0.00 0.00 -0.30 0.00 0.00 42.92 40.06 2c3u s ASP 1183CO 0.00 -0.00 0.00 0.61 -0.17 0.00 0.00 175.17 175.61 2c3u n GLY 1184N 2.13 4.09 3.50 2.66 0.00 -1.26 -5.16 105.19 111.15 2c3u n GLY 1184Ca 0.00 -1.33 -0.23 0.00 0.00 0.00 0.00 46.02 44.45 2c3u n GLY 1184CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2c3u s SER 1185N 0.00 2.78 -0.17 1.61 1.04 -1.26 -5.16 113.70 112.54 2c3u s SER 1185Ca 0.00 -1.40 -0.20 0.00 0.48 0.00 0.00 55.95 54.83 2c3u s SER 1185Cb 0.00 -0.11 0.05 0.00 0.10 0.00 0.00 66.02 66.06 2c3u s SER 1185CO 0.00 -0.59 0.54 0.54 0.98 0.00 0.00 173.24 174.71 2c3u s VAL 1186N -3.15 0.00 0.10 5.02 0.11 -1.26 -5.16 120.40 116.07 2c3u s VAL 1186Ca 0.35 -0.04 -0.15 0.00 -2.93 0.00 0.00 61.98 59.21 2c3u s VAL 1186Cb 0.09 -0.77 -0.07 0.00 -1.53 0.00 0.00 36.38 34.10 2c3u s VAL 1186CO 0.16 -0.02 0.51 -0.62 -3.33 0.00 0.00 175.10 171.80 2c3u s ASP 1187N 0.01 6.84 0.25 3.54 -1.08 -1.26 -4.97 116.67 119.99 2c3u s ASP 1187Ca -0.02 1.05 0.16 0.00 -0.52 0.00 0.00 52.55 53.22 2c3u s ASP 1187Cb -0.04 -2.28 0.86 0.00 -1.46 0.00 0.00 42.92 40.00 2c3u s ASP 1187CO 0.02 0.17 1.46 2.22 0.52 0.00 0.00 175.17 179.57 2c3u n PHE 1188N 1.12 0.53 0.91 -5.34 1.16 -1.26 -2.06 117.46 112.53 2c3u n PHE 1188Ca -0.08 0.28 0.10 0.00 -1.87 0.00 0.00 57.45 55.88 2c3u n PHE 1188Cb 0.52 -0.92 -0.01 0.00 -1.61 0.00 0.00 39.48 37.46 2c3u n PHE 1188CO 0.00 0.00 0.00 0.41 -1.87 0.00 0.00 176.76 175.30 2c3u n GLY 1189N -1.33 -0.06 3.68 4.97 0.00 -1.26 -4.88 105.19 106.32 2c3u n GLY 1189Ca -0.01 -0.59 -0.42 0.00 0.00 0.00 0.00 46.02 45.00 2c3u n GLY 1189CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2c3u s GLU 1190N -2.35 4.17 0.00 1.61 2.02 -0.87 -2.61 118.70 120.67 2c3u s GLU 1190Ca 0.16 2.44 0.00 0.00 0.02 0.00 0.00 54.97 57.60 2c3u s GLU 1190Cb 0.16 -3.71 0.00 0.00 0.10 0.00 0.00 34.13 30.68 2c3u s GLU 1190CO 0.55 -0.81 0.00 0.41 0.02 0.00 0.00 175.26 175.42 2c3u n GLY 1191N 4.16 0.33 3.77 -1.39 0.00 -1.26 -5.01 105.19 105.79 2c3u n GLY 1191Ca 0.17 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.84 2c3u n GLY 1191CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2c3u s ALA 1192N -1.74 2.62 0.03 4.61 0.00 -1.07 -4.96 121.76 121.25 2c3u s ALA 1192Ca 0.00 0.80 0.11 0.00 0.00 0.00 0.00 51.96 52.88 2c3u s ALA 1192Cb 0.00 -3.37 0.02 0.00 0.00 0.00 0.00 23.12 19.77 2c3u s ALA 1192CO 0.00 -0.94 1.41 0.93 0.00 0.00 0.00 175.76 177.16 2c3u h GLU 1193N 0.91 0.00 -5.76 0.00 3.07 -1.95 -3.46 114.58 107.39 2c3u h GLU 1193Ca -0.49 0.00 -0.59 0.00 -0.50 0.00 0.00 59.36 57.78 2c3u h GLU 1193Cb 1.26 0.00 -0.14 0.00 -0.84 0.00 0.00 28.75 29.04 2c3u h GLU 1193CO 0.56 0.72 -0.66 -0.06 -1.40 0.00 0.00 179.01 178.17 2c3u s PHE 1194N -2.95 2.30 0.32 4.33 0.40 -1.26 -4.42 117.98 116.69 2c3u s PHE 1194Ca 0.02 -0.60 -0.29 0.00 -0.60 0.00 0.00 56.93 55.46 2c3u s PHE 1194Cb 0.09 -1.39 -0.12 0.00 0.51 0.00 0.00 43.02 42.11 2c3u s PHE 1194CO 0.77 0.46 1.44 0.00 0.70 0.00 0.00 175.22 178.60 2c3u n THR 1196N 1.15 0.00 -4.20 0.00 -1.04 -1.26 -4.96 114.28 103.97 2c3u n THR 1196Ca 0.06 -0.23 -0.15 0.00 -2.04 0.00 0.00 64.05 61.69 2c3u n THR 1196Cb 0.36 1.02 -0.11 0.00 -1.82 0.00 0.00 70.33 69.78 2c3u n THR 1196CO 0.00 0.00 0.00 -0.13 -0.64 0.00 0.00 175.07 174.30 2c3u s ARG 1197N -2.09 0.91 0.15 -2.82 0.52 -1.26 -5.02 118.95 109.34 2c3u s ARG 1197Ca 0.05 -1.22 -0.01 0.00 -0.52 0.00 0.00 55.73 54.04 2c3u s ARG 1197Cb 0.09 -0.62 0.03 0.00 0.52 0.00 0.00 34.95 34.98 2c3u s ARG 1197CO 0.48 0.10 0.21 -0.40 0.02 0.00 0.00 175.30 175.71 2c3u n ASP 1198N 0.45 0.21 -1.51 0.23 3.85 -1.26 -5.00 116.55 113.51 2c3u n ASP 1198Ca -0.15 -1.19 0.05 0.00 -0.71 0.00 0.00 54.79 52.79 2c3u n ASP 1198Cb 0.58 -0.14 0.30 0.00 -1.35 0.00 0.00 41.12 40.50 2c3u n ASP 1198CO 0.00 0.00 0.00 0.47 -1.01 0.00 0.00 177.20 176.66 2c3u n ASP 1199N -3.02 4.44 -4.87 -1.12 8.00 -1.26 -4.85 116.55 113.87 2c3u n ASP 1199Ca 0.03 -2.67 -0.31 0.00 0.71 0.00 0.00 54.79 52.55 2c3u n ASP 1199Cb 0.11 -0.63 -0.04 0.00 -0.02 0.00 0.00 41.12 40.54 2c3u n ASP 1199CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 2c3u s THR 1200N -2.27 4.83 0.19 -3.53 2.01 -1.26 -4.98 115.64 110.62 2c3u s THR 1200Ca 0.40 0.58 0.26 0.00 0.31 0.00 0.00 61.69 63.23 2c3u s THR 1200Cb 0.30 -3.68 0.26 0.00 0.01 0.00 0.00 72.50 69.40 2c3u s THR 1200CO 0.12 -0.31 1.89 -0.65 -0.69 0.00 0.00 174.62 174.98 2c3u h PRO 1201N 1.84 0.00 -0.30 4.92 0.11 -1.97 -3.12 132.00 133.48 2c3u h PRO 1201Ca -0.47 0.00 -0.09 0.00 0.11 0.00 0.00 66.00 65.54 2c3u h PRO 1201Cb 1.18 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.28 2c3u h PRO 1201CO 0.66 0.18 -0.21 0.52 -0.21 0.00 0.00 178.00 178.94 2c3u h MET 1202N 0.00 0.56 -0.00 1.05 2.86 -1.97 -3.16 114.93 114.27 2c3u h MET 1202Ca -0.00 -0.20 0.00 0.00 -2.06 0.00 0.00 59.70 57.44 2c3u h MET 1202Cb 0.64 -0.04 0.00 0.00 0.06 0.00 0.00 31.60 32.27 2c3u h MET 1202CO 0.02 0.74 -0.60 -1.33 1.06 0.00 0.00 176.91 176.80 2c3u n MET 1203N -4.14 0.11 -1.71 1.72 2.81 -1.18 -4.93 117.12 109.80 2c3u n MET 1203Ca 0.00 -0.08 -0.43 0.00 -1.81 0.00 0.00 57.70 55.39 2c3u n MET 1203Cb 0.39 -1.50 -0.02 0.00 -0.71 0.00 0.00 33.22 31.38 2c3u n MET 1203CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 2c3u n ALA 1204N -1.38 1.98 -2.11 3.04 0.00 -1.20 -4.97 120.51 115.88 2c3u n ALA 1204Ca 0.06 0.39 -0.08 0.00 0.00 0.00 0.00 53.44 53.81 2c3u n ALA 1204Cb 0.34 -2.39 -0.10 0.00 0.00 0.00 0.00 19.45 17.30 2c3u n ALA 1204CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2c3u s ARG 1205N -0.43 0.66 0.26 0.00 1.81 -1.26 -5.03 118.95 114.97 2c3u s ARG 1205Ca 0.66 -1.25 -0.04 0.00 -1.72 0.00 0.00 55.73 53.38 2c3u s ARG 1205Cb -0.56 0.14 0.53 0.00 -0.45 0.00 0.00 34.95 34.61 2c3u s ARG 1205CO 0.49 -0.10 1.63 -1.35 -0.68 0.00 0.00 175.30 175.29 2c3u h PRO 1206N 3.11 0.12 -0.01 3.54 0.11 -2.04 -1.37 132.00 135.45 2c3u h PRO 1206Ca -0.34 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.76 2c3u h PRO 1206Cb 1.15 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.23 2c3u h PRO 1206CO 0.65 0.08 -0.02 -0.25 -0.21 0.00 0.00 178.00 178.25 2c3u n ASP 1207N -5.33 0.97 -4.74 -2.05 8.00 -1.26 -4.93 116.55 107.21 2c3u n ASP 1207Ca 0.16 -1.25 -0.27 0.00 0.71 0.00 0.00 54.79 54.14 2c3u n ASP 1207Cb 0.54 0.00 0.10 0.00 -0.02 0.00 0.00 41.12 41.75 2c3u n ASP 1207CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 2c3u s SER 1208N -2.07 4.34 0.00 -2.24 1.04 -0.52 -4.66 113.70 109.59 2c3u s SER 1208Ca 0.39 0.44 0.00 0.00 0.48 0.00 0.00 55.95 57.26 2c3u s SER 1208Cb 0.21 -0.90 0.00 0.00 0.10 0.00 0.00 66.02 65.43 2c3u s SER 1208CO 0.37 -1.94 0.00 0.61 0.98 0.00 0.00 173.24 173.26 2c3u n GLY 1209N -3.20 1.10 3.81 7.32 0.00 -1.26 -4.89 105.19 108.07 2c3u n GLY 1209Ca 0.10 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.80 2c3u n GLY 1209CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2c3u s GLU 1210N -0.10 3.33 0.36 1.61 2.12 -1.26 -5.02 118.70 119.74 2c3u s GLU 1210Ca 0.00 1.15 -0.26 0.00 0.36 0.00 0.00 54.97 56.23 2c3u s GLU 1210Cb 0.00 -2.04 -0.09 0.00 0.26 0.00 0.00 34.13 32.26 2c3u s GLU 1210CO 0.00 -0.79 1.03 0.00 -0.54 0.00 0.00 175.26 174.95 2c3u s ALA 1211N -2.54 3.18 0.15 6.30 0.00 -1.26 -5.05 121.76 122.54 2c3u s ALA 1211Ca 0.62 0.68 -0.20 0.00 0.00 0.00 0.00 51.96 53.07 2c3u s ALA 1211Cb -0.15 -3.26 0.05 0.00 0.00 0.00 0.00 23.12 19.77 2c3u s ALA 1211CO 0.38 -0.09 0.52 0.00 0.00 0.00 0.00 175.76 176.57 2c3u s ASP 1213N -2.78 6.81 -0.19 0.00 -1.08 -1.26 -4.73 116.67 113.44 2c3u s ASP 1213Ca 0.02 1.55 0.09 0.00 -0.52 0.00 0.00 52.55 53.70 2c3u s ASP 1213Cb 0.00 -2.54 0.59 0.00 -1.46 0.00 0.00 42.92 39.51 2c3u s ASP 1213CO -0.12 -0.90 1.45 1.67 0.52 0.00 0.00 175.17 177.79 2c3u n GLN 1214N 6.92 3.60 -2.27 4.34 7.27 -1.26 -0.21 117.38 135.77 2c3u n GLN 1214Ca 0.15 -2.29 -0.18 0.00 0.07 0.00 0.00 57.00 54.74 2c3u n GLN 1214Cb 0.45 -2.04 -0.02 0.00 2.41 0.00 0.00 30.24 31.05 2c3u n GLN 1214CO 0.00 0.00 0.00 0.09 0.07 0.00 0.00 177.06 177.22 2c3u n ASN 1215N 0.30 -5.28 -0.88 1.69 4.13 -1.26 -4.88 115.26 109.08 2c3u n ASN 1215Ca 0.23 0.03 0.11 0.00 1.68 0.00 0.00 54.58 56.63 2c3u n ASN 1215Cb 1.00 -4.35 0.10 0.00 -1.54 0.00 0.00 39.78 34.99 2c3u n ASN 1215CO 0.00 0.00 0.00 0.54 0.28 0.00 0.00 177.26 178.08 2c3u n ARG 1216N -2.72 2.02 -0.02 3.52 1.74 -1.26 -4.19 116.66 115.74 2c3u n ARG 1216Ca -0.21 -1.82 0.05 0.00 -0.77 0.00 0.00 57.85 55.09 2c3u n ARG 1216Cb 0.66 -1.42 0.05 0.00 -1.02 0.00 0.00 32.46 30.73 2c3u n ARG 1216CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2c3u n ALA 1217N 1.22 2.44 0.00 7.54 0.00 -1.26 -5.10 120.51 125.34 2c3u n ALA 1217Ca 0.13 -0.65 0.00 0.00 0.00 0.00 0.00 53.44 52.92 2c3u n ALA 1217Cb 0.54 -0.33 0.00 0.00 0.00 0.00 0.00 19.45 19.66 2c3u n ALA 1217CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2c3u n GLY 1218N 0.51 -3.32 3.57 0.00 0.00 -1.26 -4.55 105.19 100.14 2c3u n GLY 1218Ca 0.06 -1.89 -0.30 0.00 0.00 0.00 0.00 46.02 43.89 2c3u n GLY 1218CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2c3u n THR 1219N -0.32 0.00 -0.27 2.61 -1.04 -1.26 -4.73 114.28 109.28 2c3u n THR 1219Ca 0.00 -0.20 -0.05 0.00 -2.04 0.00 0.00 64.05 61.76 2c3u n THR 1219Cb 0.00 -0.97 0.06 0.00 -1.82 0.00 0.00 70.33 67.60 2c3u n THR 1219CO 0.00 0.00 0.00 0.28 -0.64 0.00 0.00 175.07 174.71 2c3u h SER 1220N -2.22 0.89 -0.13 8.00 0.02 -1.99 0.12 113.55 118.24 2c3u h SER 1220Ca -0.51 -0.07 -0.08 0.00 -0.84 0.00 0.00 61.79 60.29 2c3u h SER 1220Cb 1.30 -0.22 -0.00 0.00 0.14 0.00 0.00 62.40 63.61 2c3u h SER 1220CO 0.44 0.70 -0.22 -0.33 -1.14 0.00 0.00 176.83 176.27 2c3u h GLU 1221N 1.00 0.38 -0.86 3.45 5.08 -1.98 -1.28 114.58 120.38 2c3u h GLU 1221Ca 0.26 -0.24 0.07 0.00 -1.00 0.00 0.00 59.36 58.45 2c3u h GLU 1221Cb -0.02 0.03 -0.06 0.00 0.50 0.00 0.00 28.75 29.19 2c3u h GLU 1221CO -0.05 0.83 0.52 1.96 -1.00 0.00 0.00 179.01 181.27 2c3u h GLN 1222N -0.02 0.91 -0.47 2.33 4.20 -1.87 0.84 115.11 121.03 2c3u h GLN 1222Ca 0.01 -0.05 -0.12 0.00 0.06 0.00 0.00 58.65 58.54 2c3u h GLN 1222Cb 0.80 -0.21 -0.01 0.00 0.30 0.00 0.00 27.48 28.36 2c3u h GLN 1222CO 0.05 0.60 -0.19 1.96 -0.67 0.00 0.00 178.83 180.58 2c3u h GLN 1223N 0.94 0.94 0.56 1.46 4.20 -0.93 -0.83 115.11 121.44 2c3u h GLN 1223Ca 0.38 -0.38 -0.03 0.00 0.06 0.00 0.00 58.65 58.68 2c3u h GLN 1223Cb 0.21 -0.04 0.01 0.00 0.30 0.00 0.00 27.48 27.96 2c3u h GLN 1223CO -0.19 1.04 -0.27 0.78 -0.67 0.00 0.00 178.83 179.53 2c3u h GLY 1224N 0.92 -0.78 0.45 3.46 0.00 0.19 -0.48 103.07 106.83 2c3u h GLY 1224Ca 0.11 0.29 0.13 0.00 0.00 0.00 0.00 47.33 47.87 2c3u h GLY 1224CO 0.06 -0.28 0.62 -1.80 0.00 0.00 0.00 176.54 175.13 2c3u h ASP 1225N -0.96 0.84 -0.41 0.19 3.58 0.61 -0.50 116.42 119.77 2c3u h ASP 1225Ca -0.08 0.05 -0.07 0.00 0.42 0.00 0.00 57.03 57.35 2c3u h ASP 1225Cb 0.64 -0.11 -0.01 0.00 1.72 0.00 0.00 39.33 41.56 2c3u h ASP 1225CO 0.13 0.43 -0.02 0.25 -2.88 0.00 0.00 179.24 177.14 2c3u h LEU 1226N 0.89 0.72 -0.77 2.28 5.85 -1.03 -0.67 115.31 122.58 2c3u h LEU 1226Ca 0.49 -0.32 0.04 0.00 0.84 0.00 0.00 57.88 58.93 2c3u h LEU 1226Cb 0.60 -0.19 -0.05 0.00 0.37 0.00 0.00 40.66 41.39 2c3u h LEU 1226CO -0.26 0.86 0.49 -1.28 -0.34 0.00 0.00 178.44 177.91 2c3u h SER 1227N 0.55 0.80 -0.43 1.25 0.87 0.27 -1.73 113.55 115.12 2c3u h SER 1227Ca 0.11 0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.67 2c3u h SER 1227Cb 0.51 -0.17 -0.02 0.00 -0.44 0.00 0.00 62.40 62.28 2c3u h SER 1227CO 0.02 0.54 0.24 0.50 -0.53 0.00 0.00 176.83 177.61 2c3u h LYS 1228N 0.94 0.60 0.00 2.24 3.64 -0.91 -1.54 116.57 121.55 2c3u h LYS 1228Ca 0.31 -0.07 0.00 0.00 -1.27 0.00 0.00 60.65 59.63 2c3u h LYS 1228Cb 0.04 -0.12 0.00 0.00 -0.41 0.00 0.00 32.23 31.74 2c3u h LYS 1228CO -0.12 0.47 0.00 0.54 -2.27 0.00 0.00 179.45 178.07 2c3u n ARG 1229N -4.71 0.08 -0.03 1.90 1.74 -0.28 -3.08 116.66 112.28 2c3u n ARG 1229Ca 0.01 0.21 -0.00 0.00 -0.77 0.00 0.00 57.85 57.30 2c3u n ARG 1229Cb 0.08 -1.50 -0.08 0.00 -1.02 0.00 0.00 32.46 29.94 2c3u n ARG 1229CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 2c3u n THR 1230N -1.42 0.34 0.00 0.55 -2.24 -0.86 -4.98 114.28 105.67 2c3u n THR 1230Ca 0.05 -0.32 0.00 0.00 -2.27 0.00 0.00 64.05 61.51 2c3u n THR 1230Cb 0.15 -0.27 0.00 0.00 -2.10 0.00 0.00 70.33 68.11 2c3u n THR 1230CO 0.00 0.00 0.00 2.29 -0.57 0.00 0.00 175.07 176.79 2c3u n LYS 1231N -2.11 0.00 -0.48 -0.78 2.85 -0.61 -5.11 118.16 111.92 2c3u n LYS 1231Ca -0.09 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.17 2c3u n LYS 1231Cb 0.55 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.93 2c3u n LYS 1231CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 177.40 178.98