#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2c3u s LYS 3 N 0.00 2.98 -0.12 1.61 1.02 -1.26 -1.56 119.74 122.41 2c3u s LYS 3 Ca 0.00 -0.77 -0.05 0.00 0.02 0.00 0.00 55.97 55.18 2c3u s LYS 3 Cb 0.00 -2.73 0.06 0.00 -0.52 0.00 0.00 37.83 34.65 2c3u s LYS 3 CO 0.00 0.52 0.25 0.21 -0.92 0.00 0.00 175.35 175.41 2c3u s LYS 4 N -2.89 0.14 0.03 1.68 2.20 0.34 -4.94 119.74 116.29 2c3u s LYS 4 Ca 0.31 0.71 -0.30 0.00 -0.36 0.00 0.00 55.97 56.33 2c3u s LYS 4 Cb -0.11 -0.07 -0.05 0.00 -1.51 0.00 0.00 37.83 36.09 2c3u s LYS 4 CO 0.24 -0.28 1.18 -1.64 -0.36 0.00 0.00 175.35 174.49 2c3u s MET 5 N 2.31 4.43 0.01 4.03 -1.94 -1.26 -0.64 119.30 126.23 2c3u s MET 5 Ca 0.01 1.72 -0.17 0.00 -1.71 0.00 0.00 55.69 55.54 2c3u s MET 5 Cb -0.12 -3.41 0.03 0.00 2.01 0.00 0.00 34.83 33.34 2c3u s MET 5 CO -0.08 -0.28 0.36 0.00 -0.01 0.00 0.00 175.02 175.00 2c3u s MET 6 N 1.33 0.78 -0.27 2.03 0.00 0.91 -4.97 119.30 119.11 2c3u s MET 6 Ca 0.57 -0.25 -0.07 0.00 0.00 0.00 0.00 55.69 55.94 2c3u s MET 6 Cb -0.28 0.35 -0.01 0.00 0.00 0.00 0.00 34.83 34.89 2c3u s MET 6 CO 0.27 -0.24 0.08 0.95 0.00 0.00 0.00 175.02 176.09 2c3u s THR 7 N -1.79 4.25 0.31 3.16 -4.23 -1.26 -0.47 115.64 115.61 2c3u s THR 7 Ca -0.10 -0.36 -0.09 0.00 -1.18 0.00 0.00 61.69 59.96 2c3u s THR 7 Cb -0.03 -3.07 0.03 0.00 1.34 0.00 0.00 72.50 70.78 2c3u s THR 7 CO 0.02 0.23 0.57 0.35 -0.54 0.00 0.00 174.62 175.24 2c3u n THR 8 N 4.92 0.00 -3.49 3.99 -2.24 -0.92 -4.92 114.28 111.62 2c3u n THR 8 Ca -0.15 -1.02 -0.22 0.00 -2.27 0.00 0.00 64.05 60.39 2c3u n THR 8 Cb 0.50 0.84 0.00 0.00 -2.10 0.00 0.00 70.33 69.57 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 -2.72 4.98 0.26 3.42 3.84 -1.26 -1.03 116.67 124.16 2c3u s ASP 9 Ca 0.16 -0.91 -0.03 0.00 -0.00 0.00 0.00 52.55 51.78 2c3u s ASP 9 Cb -0.03 -0.04 0.45 0.00 -1.38 0.00 0.00 42.92 41.92 2c3u s ASP 9 CO 0.12 -0.98 1.81 1.23 -0.00 0.00 0.00 175.17 177.35 2c3u h GLY 10 N 0.69 1.38 0.52 2.12 0.00 -1.09 -0.78 103.07 105.91 2c3u h GLY 10 Ca -0.37 -0.33 -0.02 0.00 0.00 0.00 0.00 47.33 46.61 2c3u h GLY 10 CO 0.52 0.11 -0.38 3.43 0.00 0.00 0.00 176.54 180.23 2c3u h ASN 11 N 0.82 -0.99 0.62 0.19 -0.26 -1.47 -2.13 115.58 112.35 2c3u h ASN 11 Ca 0.43 0.07 -0.03 0.00 -0.56 0.00 0.00 56.30 56.20 2c3u h ASN 11 Cb 0.43 0.30 -0.00 0.00 -1.06 0.00 0.00 38.32 37.99 2c3u h ASN 11 CO -0.27 -0.55 -0.15 0.00 -1.06 0.00 0.00 177.43 175.40 2c3u h THR 12 N -0.86 0.51 -0.58 2.81 1.03 -1.79 -1.55 112.91 112.48 2c3u h THR 12 Ca -0.07 -0.76 -0.07 0.00 -0.01 0.00 0.00 66.41 65.50 2c3u h THR 12 Cb 0.71 1.52 -0.02 0.00 -1.07 0.00 0.00 68.15 69.28 2c3u h THR 12 CO 0.03 0.15 0.10 0.00 -0.01 0.00 0.00 175.52 175.79 2c3u h ALA 13 N 1.85 0.76 0.03 0.00 0.00 -1.00 -0.88 119.26 120.02 2c3u h ALA 13 Ca -0.00 -0.25 -0.22 0.00 0.00 0.00 0.00 54.91 54.44 2c3u h ALA 13 Cb 0.50 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 2c3u h ALA 13 CO 0.02 0.51 -1.04 1.79 0.00 0.00 0.00 179.25 180.53 2c3u h THR 14 N 0.85 1.65 -0.13 0.00 1.35 -0.89 -3.16 112.91 112.57 2c3u h THR 14 Ca 0.18 -3.26 -0.05 0.00 -0.55 0.00 0.00 66.41 62.73 2c3u h THR 14 Cb 0.41 2.83 -0.01 0.00 -1.73 0.00 0.00 68.15 69.66 2c3u h THR 14 CO 0.01 0.94 -0.13 0.00 -0.25 0.00 0.00 175.52 176.09 2c3u h ALA 15 N 0.91 1.54 -0.25 6.62 0.00 -1.18 0.95 119.26 127.86 2c3u h ALA 15 Ca -0.04 -0.19 0.05 0.00 0.00 0.00 0.00 54.91 54.72 2c3u h ALA 15 Cb 1.79 -0.08 -0.05 0.00 0.00 0.00 0.00 17.79 19.45 2c3u h ALA 15 CO 0.15 0.33 -0.06 1.25 0.00 0.00 0.00 179.25 180.92 2c3u h HIS 16 N 0.20 -0.12 -0.07 0.00 6.17 -1.12 -0.07 115.15 120.14 2c3u h HIS 16 Ca 0.04 0.02 -0.04 0.00 0.71 0.00 0.00 60.37 61.11 2c3u h HIS 16 Cb 0.35 0.09 -0.00 0.00 2.52 0.00 0.00 27.41 30.37 2c3u h HIS 16 CO 0.00 -0.10 -0.10 0.28 0.71 0.00 0.00 177.93 178.72 2c3u h VAL 17 N 0.01 1.39 -0.85 5.26 2.07 -1.39 -3.17 116.25 119.57 2c3u h VAL 17 Ca 0.12 -1.34 0.09 0.00 0.82 0.00 0.00 66.70 66.40 2c3u h VAL 17 Cb 0.18 2.11 -0.07 0.00 -1.52 0.00 0.00 31.29 31.99 2c3u h VAL 17 CO -0.25 0.37 0.50 0.00 0.02 0.00 0.00 177.57 178.21 2c3u h ALA 18 N 0.52 1.22 -0.10 1.67 0.00 -0.64 -1.19 119.26 120.73 2c3u h ALA 18 Ca 0.01 0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.94 2c3u h ALA 18 Cb 0.65 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.28 2c3u h ALA 18 CO 0.02 0.13 0.06 -0.92 0.00 0.00 0.00 179.25 178.54 2c3u h TYR 19 N 0.83 0.13 -0.67 0.00 3.20 -1.08 -2.50 116.97 116.88 2c3u h TYR 19 Ca 0.41 0.00 -0.03 0.00 3.14 0.00 0.00 58.73 62.25 2c3u h TYR 19 Cb 0.36 -0.04 -0.03 0.00 1.54 0.00 0.00 36.73 38.56 2c3u h TYR 19 CO -0.05 0.12 0.31 0.00 -1.64 0.00 0.00 178.16 176.90 2c3u h ALA 20 N 1.00 1.29 -0.01 1.82 0.00 -1.33 -3.13 119.26 118.90 2c3u h ALA 20 Ca 0.04 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.81 2c3u h ALA 20 Cb 0.03 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 17.55 2c3u h ALA 20 CO -0.01 0.55 -0.03 -1.33 0.00 0.00 0.00 179.25 178.43 2c3u n MET 21 N -4.33 1.52 -4.44 0.00 2.81 -0.53 -1.35 117.12 110.79 2c3u n MET 21 Ca 0.06 -0.83 -0.25 0.00 -1.81 0.00 0.00 57.70 54.87 2c3u n MET 21 Cb 0.14 -1.48 -0.11 0.00 -0.71 0.00 0.00 33.22 31.06 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 -2.06 3.48 -0.14 7.83 0.01 -0.96 -4.85 113.70 117.01 2c3u s SER 22 Ca 0.37 -0.95 0.08 0.00 1.31 0.00 0.00 55.95 56.76 2c3u s SER 22 Cb 0.21 -0.27 -0.14 0.00 0.21 0.00 0.00 66.02 66.03 2c3u s SER 22 CO 0.36 0.07 -0.03 -0.62 0.41 0.00 0.00 173.24 173.43 2c3u n GLU 23 N -0.18 1.32 -4.26 12.44 1.02 -0.05 -4.85 120.64 126.09 2c3u n GLU 23 Ca -0.09 0.03 -0.20 0.00 -0.02 0.00 0.00 57.16 56.89 2c3u n GLU 23 Cb 0.58 -1.33 -0.13 0.00 -0.02 0.00 0.00 31.44 30.54 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 -2.32 1.18 -0.11 2.62 1.01 -0.30 -1.65 120.40 120.83 2c3u s VAL 24 Ca -0.13 -1.20 -0.05 0.00 0.00 0.00 0.00 61.98 60.61 2c3u s VAL 24 Cb 0.05 -1.10 0.05 0.00 0.00 0.00 0.00 36.38 35.38 2c3u s VAL 24 CO 0.47 -0.11 0.23 0.00 0.00 0.00 0.00 175.10 175.70 2c3u s ALA 25 N -1.08 -0.49 -0.20 5.51 0.00 0.27 -1.88 121.76 123.88 2c3u s ALA 25 Ca 0.00 0.91 -0.03 0.00 0.00 0.00 0.00 51.96 52.85 2c3u s ALA 25 Cb -0.09 -0.74 -0.01 0.00 0.00 0.00 0.00 23.12 22.28 2c3u s ALA 25 CO 0.02 -0.36 -0.08 0.00 0.00 0.00 0.00 175.76 175.35 2c3u s ALA 26 N 1.68 2.72 0.26 0.00 0.00 -1.23 -1.84 121.76 123.36 2c3u s ALA 26 Ca -0.05 -1.12 0.02 0.00 0.00 0.00 0.00 51.96 50.80 2c3u s ALA 26 Cb -0.11 -1.55 -0.05 0.00 0.00 0.00 0.00 23.12 21.41 2c3u s ALA 26 CO -0.08 -0.30 0.08 -1.50 0.00 0.00 0.00 175.76 173.96 2c3u s ILE 27 N 1.25 0.72 -0.14 0.00 1.10 -0.36 -4.67 121.20 119.10 2c3u s ILE 27 Ca 0.03 -2.00 -0.13 0.00 -0.51 0.00 0.00 60.65 58.04 2c3u s ILE 27 Cb -0.14 -2.61 0.04 0.00 0.15 0.00 0.00 42.46 39.89 2c3u s ILE 27 CO -0.03 -0.06 0.38 -0.47 -2.11 0.00 0.00 174.94 172.66 2c3u s TYR 28 N -3.64 -0.43 0.05 3.50 5.04 -1.26 -1.24 117.35 119.36 2c3u s TYR 28 Ca 0.36 1.04 -0.26 0.00 -2.44 0.00 0.00 57.07 55.77 2c3u s TYR 28 Cb 0.08 0.15 -0.05 0.00 0.35 0.00 0.00 41.96 42.48 2c3u s TYR 28 CO 0.13 -0.21 0.81 -1.25 -1.34 0.00 0.00 175.55 173.69 2c3u s PRO 29 N 0.25 4.53 -0.21 4.97 0.04 -1.26 -4.88 135.00 138.44 2c3u s PRO 29 Ca -0.00 1.14 -0.11 0.00 0.04 0.00 0.00 61.00 62.07 2c3u s PRO 29 Cb -0.03 -3.38 0.07 0.00 0.04 0.00 0.00 34.50 31.20 2c3u s PRO 29 CO 0.00 0.24 0.49 -1.50 0.04 0.00 0.00 177.00 176.27 2c3u s ILE 30 N 0.07 -0.11 0.39 0.56 2.07 -1.26 -4.99 121.20 117.93 2c3u s ILE 30 Ca 0.41 0.07 -0.27 0.00 -1.41 0.00 0.00 60.65 59.45 2c3u s ILE 30 Cb -0.21 -0.73 -0.10 0.00 0.13 0.00 0.00 42.46 41.56 2c3u s ILE 30 CO 0.24 0.03 1.36 -0.89 -1.91 0.00 0.00 174.94 173.77 2c3u s THR 31 N 1.62 2.44 -0.32 4.00 2.01 -1.26 -0.93 115.64 123.21 2c3u s THR 31 Ca -0.09 0.42 0.10 0.00 0.31 0.00 0.00 61.69 62.43 2c3u s THR 31 Cb -0.08 -3.26 0.72 0.00 0.01 0.00 0.00 72.50 69.89 2c3u s THR 31 CO -0.15 0.08 1.77 -0.81 -0.69 0.00 0.00 174.62 174.82 2c3u n PRO 32 N 0.34 3.53 0.03 4.92 -0.04 -1.26 -4.89 135.00 137.62 2c3u n PRO 32 Ca 0.02 -3.08 0.12 0.00 -0.04 0.00 0.00 63.50 60.52 2c3u n PRO 32 Cb 0.42 -2.17 0.16 0.00 -0.04 0.00 0.00 33.50 31.87 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 -0.27 0.60 -0.32 3.54 3.41 -0.11 -4.48 113.62 116.00 2c3u n SER 33 Ca 0.40 -0.14 0.21 0.00 -0.26 0.00 0.00 58.87 59.08 2c3u n SER 33 Cb 1.34 0.36 0.42 0.00 -0.26 0.00 0.00 64.21 66.08 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 0.34 -0.86 4.04 0.02 -1.78 -1.78 113.55 113.53 2c3u h SER 34 Ca 0.00 0.20 0.18 0.00 -0.84 0.00 0.00 61.79 61.33 2c3u h SER 34 Cb 0.63 0.19 -0.11 0.00 0.14 0.00 0.00 62.40 63.26 2c3u h SER 34 CO 0.00 -0.16 0.40 0.74 -1.14 0.00 0.00 176.83 176.67 2c3u h THR 35 N 0.27 0.61 0.27 -2.27 2.02 -1.91 -2.30 112.91 109.60 2c3u h THR 35 Ca 0.69 -0.17 -0.00 0.00 0.77 0.00 0.00 66.41 67.69 2c3u h THR 35 Cb 1.53 0.06 -0.01 0.00 -1.74 0.00 0.00 68.15 67.99 2c3u h THR 35 CO -0.64 0.09 -0.24 0.24 0.37 0.00 0.00 175.52 175.35 2c3u h MET 36 N 0.50 -0.51 -0.86 6.66 2.86 -1.62 0.18 114.93 122.15 2c3u h MET 36 Ca 0.50 0.03 0.00 0.00 -2.06 0.00 0.00 59.70 58.18 2c3u h MET 36 Cb 0.83 0.12 -0.04 0.00 0.06 0.00 0.00 31.60 32.56 2c3u h MET 36 CO -0.44 -0.34 0.55 0.78 1.06 0.00 0.00 176.91 178.52 2c3u h GLY 37 N -0.53 1.23 1.42 8.32 0.00 -1.64 -0.09 103.07 111.78 2c3u h GLY 37 Ca -0.01 -0.48 -0.08 0.00 0.00 0.00 0.00 47.33 46.76 2c3u h GLY 37 CO -0.03 0.47 -0.07 0.83 0.00 0.00 0.00 176.54 177.74 2c3u h GLU 38 N 1.18 0.70 -0.10 4.80 5.08 -1.13 0.02 114.58 125.13 2c3u h GLU 38 Ca 0.31 -0.21 -0.01 0.00 -1.00 0.00 0.00 59.36 58.45 2c3u h GLU 38 Cb -0.10 -0.07 -0.00 0.00 0.50 0.00 0.00 28.75 29.07 2c3u h GLU 38 CO -0.06 0.76 0.01 0.93 -1.00 0.00 0.00 179.01 179.65 2c3u h GLU 39 N 0.65 0.17 -0.57 2.33 4.39 -0.08 -1.20 114.58 120.27 2c3u h GLU 39 Ca 0.12 -0.05 0.05 0.00 0.34 0.00 0.00 59.36 59.82 2c3u h GLU 39 Cb 0.51 -0.02 -0.05 0.00 -0.10 0.00 0.00 28.75 29.09 2c3u h GLU 39 CO 0.03 0.39 0.30 0.00 -1.16 0.00 0.00 179.01 178.56 2c3u h ALA 40 N 0.78 0.74 -0.66 3.43 0.00 -0.77 0.37 119.26 123.15 2c3u h ALA 40 Ca 0.03 0.02 -0.06 0.00 0.00 0.00 0.00 54.91 54.90 2c3u h ALA 40 Cb 0.30 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.97 2c3u h ALA 40 CO 0.00 -0.04 0.17 0.22 0.00 0.00 0.00 179.25 179.61 2c3u h ASP 41 N 0.57 0.99 -0.59 0.00 1.82 -0.87 -1.52 116.42 116.83 2c3u h ASP 41 Ca 0.25 -0.23 -0.05 0.00 -0.39 0.00 0.00 57.03 56.61 2c3u h ASP 41 Cb 0.15 -0.26 -0.02 0.00 0.68 0.00 0.00 39.33 39.87 2c3u h ASP 41 CO -0.16 0.96 0.15 0.44 -1.61 0.00 0.00 179.24 179.02 2c3u h ASP 42 N 0.98 0.88 -0.00 2.28 3.32 -0.55 -1.40 116.42 121.92 2c3u h ASP 42 Ca 0.21 -0.23 -0.10 0.00 0.02 0.00 0.00 57.03 56.93 2c3u h ASP 42 Cb 0.35 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 39.65 2c3u h ASP 42 CO 0.00 0.88 -0.29 -0.50 -1.72 0.00 0.00 179.24 177.61 2c3u h TRP 43 N 0.84 0.50 -0.16 4.55 6.55 -0.70 -0.15 115.95 127.38 2c3u h TRP 43 Ca 0.18 -0.11 -0.16 0.00 0.95 0.00 0.00 58.89 59.75 2c3u h TRP 43 Cb 0.34 -0.12 0.00 0.00 -0.86 0.00 0.00 29.16 28.52 2c3u h TRP 43 CO 0.02 0.69 -0.52 0.00 -1.05 0.00 0.00 178.44 177.58 2c3u h ALA 44 N 1.31 0.28 0.00 1.49 0.00 -1.15 0.29 119.26 121.48 2c3u h ALA 44 Ca 0.05 -0.50 -0.01 0.00 0.00 0.00 0.00 54.91 54.44 2c3u h ALA 44 Cb 0.71 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.47 2c3u h ALA 44 CO 0.05 0.47 -0.07 0.00 0.00 0.00 0.00 179.25 179.71 2c3u h ALA 45 N 0.55 1.74 -0.01 0.00 0.00 -1.04 0.31 119.26 120.81 2c3u h ALA 45 Ca -0.02 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.83 2c3u h ALA 45 Cb 1.14 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.92 2c3u h ALA 45 CO 0.11 0.08 -0.04 1.04 0.00 0.00 0.00 179.25 180.45 2c3u n GLN 46 N -4.24 1.19 -0.95 0.00 6.02 -0.09 -4.94 117.38 114.37 2c3u n GLN 46 Ca -0.03 -0.46 0.00 0.00 -0.01 0.00 0.00 57.00 56.50 2c3u n GLN 46 Cb 0.15 -1.49 0.00 0.00 1.02 0.00 0.00 30.24 29.92 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 1.15 0.42 3.77 1.08 0.00 0.11 -5.03 105.19 106.69 2c3u n GLY 47 Ca 0.19 -0.92 -0.39 0.00 0.00 0.00 0.00 46.02 44.91 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 -1.67 3.79 -0.12 1.61 3.52 0.94 -4.87 118.95 122.15 2c3u s ARG 48 Ca 0.00 2.11 -0.06 0.00 -0.13 0.00 0.00 55.73 57.65 2c3u s ARG 48 Cb 0.00 -2.61 -0.04 0.00 -1.56 0.00 0.00 34.95 30.74 2c3u s ARG 48 CO 0.00 -0.62 0.10 0.15 -0.81 0.00 0.00 175.30 174.11 2c3u s LYS 49 N -2.43 3.37 0.39 5.12 -0.14 -1.26 -4.08 119.74 120.71 2c3u s LYS 49 Ca 0.60 -0.22 -0.04 0.00 -1.36 0.00 0.00 55.97 54.96 2c3u s LYS 49 Cb -0.37 -3.09 0.08 0.00 -1.68 0.00 0.00 37.83 32.77 2c3u s LYS 49 CO 0.46 0.71 0.53 0.27 -0.76 0.00 0.00 175.35 176.56 2c3u n ASN 50 N 2.17 0.35 0.00 2.83 0.23 -0.08 -4.83 115.26 115.93 2c3u n ASN 50 Ca -0.19 -1.38 0.02 0.00 -0.53 0.00 0.00 54.58 52.50 2c3u n ASN 50 Cb 0.54 -0.37 0.12 0.00 -2.08 0.00 0.00 39.78 37.99 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 -2.42 0.95 -0.06 1.53 -5.35 -0.46 -0.75 119.36 112.81 2c3u n ILE 51 Ca 0.08 0.24 0.10 0.00 -0.27 0.00 0.00 62.75 62.89 2c3u n ILE 51 Cb 0.27 -1.16 0.23 0.00 -1.74 0.00 0.00 39.64 37.24 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 -1.28 0.64 -1.13 4.28 3.01 -1.26 -4.93 117.46 116.79 2c3u n PHE 52 Ca 0.02 -0.39 -0.04 0.00 1.01 0.00 0.00 57.45 58.05 2c3u n PHE 52 Cb 0.04 -0.01 -0.02 0.00 -0.01 0.00 0.00 39.48 39.48 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 1.27 0.69 3.64 1.37 0.00 0.07 -5.02 105.19 107.22 2c3u n GLY 53 Ca 0.19 -0.38 -0.24 0.00 0.00 0.00 0.00 46.02 45.58 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 -1.83 2.30 0.32 1.61 -1.52 -1.26 -4.80 119.66 114.48 2c3u s GLN 54 Ca 0.00 -1.31 -0.17 0.00 -1.95 0.00 0.00 55.36 51.93 2c3u s GLN 54 Cb 0.00 -2.22 -0.09 0.00 -0.22 0.00 0.00 33.01 30.48 2c3u s GLN 54 CO 0.00 0.40 0.77 0.95 -0.25 0.00 0.00 175.29 177.16 2c3u s THR 55 N -2.07 4.60 0.31 -0.19 -4.23 -1.26 -0.90 115.64 111.90 2c3u s THR 55 Ca 0.29 1.11 -0.29 0.00 -1.18 0.00 0.00 61.69 61.63 2c3u s THR 55 Cb -0.08 -3.67 -0.10 0.00 1.34 0.00 0.00 72.50 69.99 2c3u s THR 55 CO 0.19 -0.11 1.34 -0.22 -0.54 0.00 0.00 174.62 175.28 2c3u s LEU 56 N -2.78 4.41 -0.55 4.79 2.96 -1.26 -4.95 118.68 121.30 2c3u s LEU 56 Ca 0.53 2.68 -0.19 0.00 -0.22 0.00 0.00 54.13 56.93 2c3u s LEU 56 Cb -0.12 -3.64 0.09 0.00 0.50 0.00 0.00 46.19 43.02 2c3u s LEU 56 CO 0.18 -0.58 0.66 -0.89 -1.32 0.00 0.00 176.35 174.40 2c3u s THR 57 N -0.84 4.86 -0.11 3.68 2.01 -0.66 -4.89 115.64 119.69 2c3u s THR 57 Ca 0.52 -0.82 0.02 0.00 0.31 0.00 0.00 61.69 61.71 2c3u s THR 57 Cb -0.40 -4.40 -0.01 0.00 0.01 0.00 0.00 72.50 67.69 2c3u s THR 57 CO 0.51 -0.98 -0.16 -0.63 -0.69 0.00 0.00 174.62 172.66 2c3u s ILE 58 N 2.61 2.76 0.04 1.82 1.01 -1.26 -0.57 121.20 127.62 2c3u s ILE 58 Ca 0.12 -0.78 0.03 0.00 0.00 0.00 0.00 60.65 60.03 2c3u s ILE 58 Cb -0.22 -2.12 -0.02 0.00 0.01 0.00 0.00 42.46 40.10 2c3u s ILE 58 CO 0.08 0.54 -0.09 -0.13 0.00 0.00 0.00 174.94 175.34 2c3u s ARG 59 N 0.21 0.61 -0.20 2.79 1.81 -0.76 -5.00 118.95 118.40 2c3u s ARG 59 Ca -0.10 -0.69 -0.10 0.00 -1.72 0.00 0.00 55.73 53.11 2c3u s ARG 59 Cb -0.16 -0.47 -0.05 0.00 -0.45 0.00 0.00 34.95 33.82 2c3u s ARG 59 CO 0.06 0.10 0.15 -2.00 -0.68 0.00 0.00 175.30 172.93 2c3u s GLU 60 N -1.29 4.18 0.35 3.54 2.12 -1.26 -1.22 118.70 125.11 2c3u s GLU 60 Ca -0.05 -0.19 0.02 0.00 0.36 0.00 0.00 54.97 55.10 2c3u s GLU 60 Cb -0.08 -3.44 0.07 0.00 0.26 0.00 0.00 34.13 30.93 2c3u s GLU 60 CO 0.01 0.25 0.48 -1.33 -0.54 0.00 0.00 175.26 174.14 2c3u n MET 61 N 3.65 0.43 0.08 4.30 2.81 -0.38 -4.93 117.12 123.08 2c3u n MET 61 Ca -0.15 -1.48 0.13 0.00 -1.81 0.00 0.00 57.70 54.38 2c3u n MET 61 Cb 0.52 -0.27 0.30 0.00 -0.71 0.00 0.00 33.22 33.06 2c3u n MET 61 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 2c3u n GLN 62 N -1.86 0.25 -3.82 0.03 0.00 -1.26 -4.87 117.38 105.85 2c3u n GLN 62 Ca 0.09 0.14 -0.02 0.00 0.00 0.00 0.00 57.00 57.21 2c3u n GLN 62 Cb 0.31 -1.73 0.01 0.00 0.00 0.00 0.00 30.24 28.83 2c3u n GLN 62 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.06 175.52 2c3u s SER 63 N -4.27 -0.05 0.37 2.61 1.04 -1.26 -2.45 113.70 109.69 2c3u s SER 63 Ca 0.09 -0.47 0.15 0.00 0.48 0.00 0.00 55.95 56.19 2c3u s SER 63 Cb 0.13 0.41 0.72 0.00 0.10 0.00 0.00 66.02 67.38 2c3u s SER 63 CO 0.65 -0.79 1.79 -0.33 0.98 0.00 0.00 173.24 175.55 2c3u h GLU 64 N 2.00 0.00 -0.46 4.02 3.07 -1.93 -0.20 114.58 121.08 2c3u h GLU 64 Ca -0.27 0.00 -0.08 0.00 -0.50 0.00 0.00 59.36 58.52 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 0.32 0.39 -0.02 0.00 -1.40 0.00 0.00 179.01 178.30 2c3u h ALA 65 N 1.61 0.63 -0.16 3.43 0.00 -1.86 0.25 119.26 123.14 2c3u h ALA 65 Ca -0.00 -0.29 -0.09 0.00 0.00 0.00 0.00 54.91 54.53 2c3u h ALA 65 Cb 0.75 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 2c3u h ALA 65 CO 0.05 0.44 -0.29 0.78 0.00 0.00 0.00 179.25 180.24 2c3u h GLY 66 N 0.68 0.34 0.89 0.00 0.00 -1.80 -1.33 103.07 101.84 2c3u h GLY 66 Ca 0.13 -0.27 -0.10 0.00 0.00 0.00 0.00 47.33 47.09 2c3u h GLY 66 CO 0.03 0.25 -0.22 0.00 0.00 0.00 0.00 176.54 176.60 2c3u h ALA 67 N 1.43 0.35 -0.42 3.60 0.00 -0.38 -1.98 119.26 121.85 2c3u h ALA 67 Ca 0.04 -0.37 -0.06 0.00 0.00 0.00 0.00 54.91 54.52 2c3u h ALA 67 Cb 0.65 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.35 2c3u h ALA 67 CO 0.05 0.31 -0.00 0.00 0.00 0.00 0.00 179.25 179.60 2c3u h ALA 68 N 0.68 1.21 -0.44 0.00 0.00 -0.35 0.20 119.26 120.56 2c3u h ALA 68 Ca 0.04 -0.24 -0.11 0.00 0.00 0.00 0.00 54.91 54.60 2c3u h ALA 68 Cb 0.77 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.37 2c3u h ALA 68 CO 0.06 0.52 -0.16 0.78 0.00 0.00 0.00 179.25 180.44 2c3u h GLY 69 N 0.93 0.97 1.01 0.00 0.00 -1.19 -1.07 103.07 103.72 2c3u h GLY 69 Ca 0.13 -0.84 -0.04 0.00 0.00 0.00 0.00 47.33 46.58 2c3u h GLY 69 CO 0.02 0.76 0.24 0.00 0.00 0.00 0.00 176.54 177.56 2c3u h ALA 70 N 0.85 0.84 -0.42 3.60 0.00 -0.87 -1.87 119.26 121.40 2c3u h ALA 70 Ca 0.11 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 2c3u h ALA 70 Cb 0.72 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.24 2c3u h ALA 70 CO 0.05 0.48 0.22 0.28 0.00 0.00 0.00 179.25 180.28 2c3u h VAL 71 N 0.91 1.17 -0.36 0.00 2.07 -0.83 0.20 116.25 119.42 2c3u h VAL 71 Ca 0.21 -0.45 0.05 0.00 0.82 0.00 0.00 66.70 67.33 2c3u h VAL 71 Cb 0.24 0.70 -0.05 0.00 -1.52 0.00 0.00 31.29 30.66 2c3u h VAL 71 CO -0.01 0.18 0.07 -0.74 0.02 0.00 0.00 177.57 177.08 2c3u h HIS 72 N 0.54 0.11 -0.54 1.57 6.17 -0.97 -1.50 115.15 120.54 2c3u h HIS 72 Ca 0.15 0.02 -0.01 0.00 0.71 0.00 0.00 60.37 61.24 2c3u h HIS 72 Cb 0.09 0.00 -0.03 0.00 2.52 0.00 0.00 27.41 30.00 2c3u h HIS 72 CO -0.02 0.01 0.29 0.78 0.71 0.00 0.00 177.93 179.71 2c3u h GLY 73 N 0.19 0.80 0.99 5.26 0.00 -0.86 -0.12 103.07 109.33 2c3u h GLY 73 Ca 0.17 -0.36 -0.02 0.00 0.00 0.00 0.00 47.33 47.12 2c3u h GLY 73 CO -0.23 0.35 0.31 0.00 0.00 0.00 0.00 176.54 176.98 2c3u h ALA 74 N 1.13 0.80 -0.32 3.60 0.00 -0.67 -1.63 119.26 122.17 2c3u h ALA 74 Ca 0.19 -0.12 -0.04 0.00 0.00 0.00 0.00 54.91 54.94 2c3u h ALA 74 Cb 0.05 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 2c3u h ALA 74 CO -0.03 0.34 0.06 -0.07 0.00 0.00 0.00 179.25 179.55 2c3u h LEU 75 N 0.85 0.50 -2.07 0.00 3.38 -1.08 -2.11 115.31 114.78 2c3u h LEU 75 Ca 0.21 -0.25 0.03 0.00 0.09 0.00 0.00 57.88 57.96 2c3u h LEU 75 Cb 0.09 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 40.71 2c3u h LEU 75 CO -0.03 0.63 0.07 0.00 0.09 0.00 0.00 178.44 179.20 2c3u h ALA 76 N 0.90 2.01 -0.55 1.53 0.00 -0.82 -0.96 119.26 121.36 2c3u h ALA 76 Ca 0.10 -0.00 -0.10 0.00 0.00 0.00 0.00 54.91 54.90 2c3u h ALA 76 Cb 0.33 0.01 -0.06 0.00 0.00 0.00 0.00 17.79 18.07 2c3u h ALA 76 CO 0.00 -0.12 0.13 0.00 0.00 0.00 0.00 179.25 179.27 2c3u n ALA 77 N -2.52 3.98 -1.78 0.00 0.00 -0.63 -0.66 120.51 118.90 2c3u n ALA 77 Ca -0.01 -1.75 -0.06 0.00 0.00 0.00 0.00 53.44 51.63 2c3u n ALA 77 Cb 0.18 -1.17 -0.01 0.00 0.00 0.00 0.00 19.45 18.45 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 0.17 0.37 3.40 0.00 0.00 -0.36 -4.77 105.19 104.01 2c3u n GLY 78 Ca 0.29 -0.70 -0.32 0.00 0.00 0.00 0.00 46.02 45.28 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 -2.26 2.53 0.07 4.61 0.00 -0.84 -4.73 121.76 121.13 2c3u s ALA 79 Ca 0.00 -0.98 -0.31 0.00 0.00 0.00 0.00 51.96 50.67 2c3u s ALA 79 Cb 0.00 -0.93 -0.07 0.00 0.00 0.00 0.00 23.12 22.12 2c3u s ALA 79 CO 0.00 0.47 1.44 -0.51 0.00 0.00 0.00 175.76 177.15 2c3u s LEU 80 N -0.40 4.35 0.04 0.00 1.43 -1.26 -4.01 118.68 118.83 2c3u s LEU 80 Ca 0.04 2.29 0.03 0.00 -1.03 0.00 0.00 54.13 55.46 2c3u s LEU 80 Cb -0.12 -3.57 -0.02 0.00 0.03 0.00 0.00 46.19 42.50 2c3u s LEU 80 CO 0.02 -0.71 -0.10 -0.89 0.23 0.00 0.00 176.35 174.89 2c3u s THR 81 N 1.75 0.76 0.26 5.49 2.01 -1.26 -0.87 115.64 123.79 2c3u s THR 81 Ca 0.66 -0.98 0.02 0.00 0.31 0.00 0.00 61.69 61.70 2c3u s THR 81 Cb -0.36 -0.75 -0.04 0.00 0.01 0.00 0.00 72.50 71.36 2c3u s THR 81 CO 0.29 -0.19 0.16 -0.89 -0.69 0.00 0.00 174.62 173.31 2c3u s THR 82 N -1.05 0.14 0.12 -0.82 2.01 -0.79 -2.86 115.64 112.40 2c3u s THR 82 Ca -0.04 -2.00 -0.25 0.00 0.31 0.00 0.00 61.69 59.71 2c3u s THR 82 Cb -0.08 -2.52 0.07 0.00 0.01 0.00 0.00 72.50 69.98 2c3u s THR 82 CO 0.01 0.00 0.62 0.28 -0.69 0.00 0.00 174.62 174.84 2c3u s THR 83 N -3.83 0.00 -0.10 -0.82 -1.32 -1.15 -3.50 115.64 104.93 2c3u s THR 83 Ca 0.38 0.00 0.04 0.00 -1.21 0.00 0.00 61.69 60.90 2c3u s THR 83 Cb 0.06 -1.00 0.00 0.00 -1.51 0.00 0.00 72.50 70.05 2c3u s THR 83 CO 0.17 0.00 -0.22 -0.36 -2.21 0.00 0.00 174.62 172.00 2c3u s PHE 84 N -3.27 2.41 0.05 9.09 0.40 -1.26 -1.46 117.98 123.94 2c3u s PHE 84 Ca -0.01 -1.00 -0.02 0.00 -0.60 0.00 0.00 56.93 55.30 2c3u s PHE 84 Cb -0.01 -1.63 0.01 0.00 0.51 0.00 0.00 43.02 41.90 2c3u s PHE 84 CO -0.09 -0.41 0.10 -2.37 0.70 0.00 0.00 175.22 173.15 2c3u n THR 85 N 3.61 0.00 0.00 0.64 5.66 -0.61 -4.65 114.28 118.93 2c3u n THR 85 Ca -0.20 -0.12 0.00 0.00 -3.05 0.00 0.00 64.05 60.68 2c3u n THR 85 Cb 0.53 0.13 0.00 0.00 -1.55 0.00 0.00 70.33 69.43 2c3u n THR 85 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2c3u n ALA 86 N -2.69 0.00 -0.01 1.79 0.00 -1.26 -1.94 120.51 116.40 2c3u n ALA 86 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.42 2c3u n ALA 86 Cb 0.08 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.53 2c3u n ALA 86 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2c3u n SER 87 N 0.00 0.00 -0.36 0.00 2.88 -1.26 -0.87 113.62 114.02 2c3u n SER 87 Ca 0.00 0.00 0.27 0.00 -1.33 0.00 0.00 58.87 57.81 2c3u n SER 87 Cb 0.00 0.00 0.56 0.00 -0.75 0.00 0.00 64.21 64.02 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 0.28 -0.23 -1.46 1.08 -1.89 0.25 115.11 113.13 2c3u h GLN 88 Ca 0.00 -0.02 -0.02 0.00 -1.45 0.00 0.00 58.65 57.16 2c3u h GLN 88 Cb 0.00 -0.06 -0.01 0.00 -0.05 0.00 0.00 27.48 27.36 2c3u h GLN 88 CO 0.00 0.18 0.05 0.78 -0.95 0.00 0.00 178.83 178.90 2c3u h GLY 89 N 0.28 0.40 1.39 3.46 0.00 -1.43 -2.57 103.07 104.60 2c3u h GLY 89 Ca 0.66 -0.25 -0.02 0.00 0.00 0.00 0.00 47.33 47.71 2c3u h GLY 89 CO -0.31 0.24 0.26 -2.00 0.00 0.00 0.00 176.54 174.73 2c3u h LEU 90 N 0.19 0.72 -0.94 3.11 5.85 -0.00 -2.28 115.31 121.96 2c3u h LEU 90 Ca 0.07 -0.07 0.06 0.00 0.84 0.00 0.00 57.88 58.78 2c3u h LEU 90 Cb 0.28 -0.18 -0.06 0.00 0.37 0.00 0.00 40.66 41.07 2c3u h LEU 90 CO 0.00 0.62 0.60 -0.07 -0.34 0.00 0.00 178.44 179.26 2c3u h LEU 91 N 0.80 0.97 -0.66 2.25 3.38 -0.97 -0.47 115.31 120.61 2c3u h LEU 91 Ca 0.20 0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.17 2c3u h LEU 91 Cb 0.10 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 40.65 2c3u h LEU 91 CO -0.02 0.63 0.00 0.18 0.09 0.00 0.00 178.44 179.32 2c3u n LEU 92 N -4.53 0.68 0.04 1.67 4.77 -0.87 -2.28 117.00 116.47 2c3u n LEU 92 Ca 0.14 0.66 0.12 0.00 -0.03 0.00 0.00 56.01 56.89 2c3u n LEU 92 Cb 0.16 -0.56 0.14 0.00 -2.33 0.00 0.00 43.42 40.83 2c3u n LEU 92 CO 0.32 -0.54 0.26 0.23 -1.33 0.00 0.00 177.39 176.34 2c3u n MET 93 N -2.24 0.24 -0.19 3.23 2.81 -0.21 -4.11 117.12 116.66 2c3u n MET 93 Ca 0.02 0.05 -0.04 0.00 -1.81 0.00 0.00 57.70 55.92 2c3u n MET 93 Cb 0.24 -1.63 0.02 0.00 -0.71 0.00 0.00 33.22 31.15 2c3u n MET 93 CO 0.00 0.00 0.00 0.82 1.51 0.00 0.00 175.97 178.30 2c3u h ILE 94 N 0.00 0.26 -0.33 2.02 1.08 -1.19 -0.51 117.51 118.84 2c3u h ILE 94 Ca 0.00 0.00 0.07 0.00 -0.39 0.00 0.00 64.86 64.54 2c3u h ILE 94 Cb 0.70 0.26 -0.08 0.00 -3.07 0.00 0.00 36.82 34.64 2c3u h ILE 94 CO 0.00 0.00 -0.18 -0.65 -0.69 0.00 0.00 178.15 176.63 2c3u h PRO 95 N -0.12 -0.12 0.00 2.37 0.11 -1.81 -0.50 132.00 131.93 2c3u h PRO 95 Ca 0.25 0.01 -0.03 0.00 0.11 0.00 0.00 66.00 66.33 2c3u h PRO 95 Cb 0.51 0.03 -0.00 0.00 0.11 0.00 0.00 31.00 31.65 2c3u h PRO 95 CO -0.63 -0.08 -0.15 -0.91 -0.21 0.00 0.00 178.00 176.01 2c3u h ASN 96 N -0.13 0.00 -0.56 -2.05 2.35 -1.73 -3.01 115.58 110.46 2c3u h ASN 96 Ca 0.17 0.00 -0.05 0.00 -0.55 0.00 0.00 56.30 55.87 2c3u h ASN 96 Cb 0.39 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.73 2c3u h ASN 96 CO -0.41 0.15 0.16 0.24 -1.65 0.00 0.00 177.43 175.92 2c3u h MET 97 N 0.00 0.88 -0.93 0.81 2.86 0.55 0.29 114.93 119.40 2c3u h MET 97 Ca -0.00 -0.20 0.01 0.00 -2.06 0.00 0.00 59.70 57.46 2c3u h MET 97 Cb 0.49 -0.12 -0.05 0.00 0.06 0.00 0.00 31.60 31.98 2c3u h MET 97 CO 0.02 0.81 0.61 1.88 1.06 0.00 0.00 176.91 181.29 2c3u h TYR 98 N 0.79 1.16 -0.20 -0.22 -1.99 -1.35 -1.42 116.97 113.73 2c3u h TYR 98 Ca 0.18 0.03 -0.03 0.00 2.00 0.00 0.00 58.73 60.90 2c3u h TYR 98 Cb 0.30 -0.39 -0.01 0.00 2.00 0.00 0.00 36.73 38.63 2c3u h TYR 98 CO 0.02 0.72 -0.01 0.87 -0.00 0.00 0.00 178.16 179.76 2c3u h LYS 99 N 1.24 0.37 -0.65 4.88 1.79 -1.37 0.42 116.57 123.25 2c3u h LYS 99 Ca 0.34 -0.12 -0.03 0.00 -2.18 0.00 0.00 60.65 58.66 2c3u h LYS 99 Cb -0.12 -0.03 -0.03 0.00 -1.58 0.00 0.00 32.23 30.47 2c3u h LYS 99 CO -0.08 0.57 0.28 0.82 -1.08 0.00 0.00 179.45 179.97 2c3u h ILE 100 N 0.12 1.23 0.12 1.86 2.04 -0.08 -0.05 117.51 122.75 2c3u h ILE 100 Ca 0.06 -0.69 -0.29 0.00 1.00 0.00 0.00 64.86 64.94 2c3u h ILE 100 Cb 0.41 0.48 0.02 0.00 -0.74 0.00 0.00 36.82 37.00 2c3u h ILE 100 CO 0.01 0.28 -1.23 0.77 0.00 0.00 0.00 178.15 177.98 2c3u h SER 101 N 0.90 0.74 -0.24 1.72 4.64 -1.30 -2.17 113.55 117.84 2c3u h SER 101 Ca 0.22 -0.70 0.06 0.00 -0.47 0.00 0.00 61.79 60.90 2c3u h SER 101 Cb 0.17 -0.23 -0.01 0.00 -0.31 0.00 0.00 62.40 62.01 2c3u h SER 101 CO -0.02 1.52 0.17 1.23 -0.87 0.00 0.00 176.83 178.85 2c3u h GLY 102 N 0.68 0.03 -2.80 -0.77 0.00 0.22 0.10 103.07 100.54 2c3u h GLY 102 Ca -0.17 -0.01 0.00 0.00 0.00 0.00 0.00 47.33 47.15 2c3u h GLY 102 CO 0.23 0.01 0.00 1.18 0.00 0.00 0.00 176.54 177.95 2c3u n GLU 103 N -4.47 2.98 -3.61 4.80 1.02 -0.07 -4.99 120.64 116.31 2c3u n GLU 103 Ca 0.03 -2.73 -0.27 0.00 -0.02 0.00 0.00 57.16 54.17 2c3u n GLU 103 Cb 0.30 -1.65 0.03 0.00 -0.02 0.00 0.00 31.44 30.10 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 1.53 -3.25 -4.66 -4.62 4.77 0.36 -4.99 117.00 106.13 2c3u n LEU 104 Ca 0.25 -0.89 -0.34 0.00 -0.03 0.00 0.00 56.01 54.99 2c3u n LEU 104 Cb 0.69 -2.42 -0.10 0.00 -2.33 0.00 0.00 43.42 39.26 2c3u n LEU 104 CO 0.19 0.26 -0.33 -0.76 -1.33 0.00 0.00 177.39 175.42 2c3u s LEU 105 N -5.97 3.48 0.00 2.23 1.43 -0.83 -4.70 118.68 114.31 2c3u s LEU 105 Ca 0.36 0.08 -0.03 0.00 -1.03 0.00 0.00 54.13 53.51 2c3u s LEU 105 Cb -0.13 -1.84 -0.12 0.00 0.03 0.00 0.00 46.19 44.14 2c3u s LEU 105 CO 0.85 0.35 2.20 -0.81 0.23 0.00 0.00 176.35 179.18 2c3u n PRO 106 N 1.99 1.13 -2.31 1.29 -0.04 -1.26 -2.28 135.00 133.53 2c3u n PRO 106 Ca -0.18 -0.45 -0.32 0.00 -0.04 0.00 0.00 63.50 62.52 2c3u n PRO 106 Cb 0.53 -1.60 -0.02 0.00 -0.04 0.00 0.00 33.50 32.36 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 2.20 2.06 -0.07 0.55 0.00 -1.26 -4.66 107.32 106.15 2c3u s GLY 107 Ca 0.30 0.21 -0.01 0.00 0.00 0.00 0.00 44.72 45.22 2c3u s GLY 107 CO 0.00 0.50 0.00 0.14 0.00 0.00 0.00 173.10 173.74 2c3u s VAL 108 N -2.61 0.34 -0.17 1.40 1.01 -1.13 -1.12 120.40 118.11 2c3u s VAL 108 Ca 0.60 0.13 -0.06 0.00 0.00 0.00 0.00 61.98 62.65 2c3u s VAL 108 Cb -0.11 -0.49 -0.04 0.00 0.00 0.00 0.00 36.38 35.74 2c3u s VAL 108 CO 0.33 0.25 0.04 -0.36 0.00 0.00 0.00 175.10 175.36 2c3u s PHE 109 N 1.90 3.20 -0.27 5.22 2.99 0.31 -2.92 117.98 128.41 2c3u s PHE 109 Ca 0.04 0.00 -0.05 0.00 0.00 0.00 0.00 56.93 56.91 2c3u s PHE 109 Cb -0.12 -2.03 0.00 0.00 0.00 0.00 0.00 43.02 40.87 2c3u s PHE 109 CO -0.05 0.14 0.03 -1.01 -0.00 0.00 0.00 175.22 174.34 2c3u s HIS 110 N 0.26 3.09 -0.02 0.36 3.76 -0.53 0.01 115.29 122.21 2c3u s HIS 110 Ca 0.02 -0.98 0.06 0.00 -0.15 0.00 0.00 55.06 54.02 2c3u s HIS 110 Cb -0.13 -2.19 -0.02 0.00 1.11 0.00 0.00 32.58 31.36 2c3u s HIS 110 CO 0.01 -0.56 -0.21 0.14 -0.85 0.00 0.00 174.74 173.27 2c3u s VAL 111 N 1.49 1.63 -0.68 -0.90 -7.23 0.03 -1.57 120.40 113.17 2c3u s VAL 111 Ca 0.03 -0.88 -0.18 0.00 -1.81 0.00 0.00 61.98 59.14 2c3u s VAL 111 Cb -0.16 -1.36 0.12 0.00 0.56 0.00 0.00 36.38 35.54 2c3u s VAL 111 CO 0.00 0.46 0.80 0.42 -0.31 0.00 0.00 175.10 176.48 2c3u s THR 112 N -0.46 4.88 -0.32 5.32 -4.23 -0.82 -2.23 115.64 117.77 2c3u s THR 112 Ca 0.07 -1.25 -0.37 0.00 -1.18 0.00 0.00 61.69 58.97 2c3u s THR 112 Cb -0.08 -4.55 -0.13 0.00 1.34 0.00 0.00 72.50 69.08 2c3u s THR 112 CO -0.01 -1.20 2.06 0.00 -0.54 0.00 0.00 174.62 174.93 2c3u n ALA 113 N 6.15 0.72 -2.65 3.99 0.00 0.04 -4.46 120.51 124.29 2c3u n ALA 113 Ca -0.00 0.09 -0.20 0.00 0.00 0.00 0.00 53.44 53.32 2c3u n ALA 113 Cb 0.44 -2.44 -0.12 0.00 0.00 0.00 0.00 19.45 17.33 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 5.43 0.93 0.50 0.00 3.52 -1.08 -1.56 118.95 126.70 2c3u s ARG 114 Ca 1.07 -0.94 -0.22 0.00 -0.13 0.00 0.00 55.73 55.51 2c3u s ARG 114 Cb -0.94 -0.99 -0.08 0.00 -1.56 0.00 0.00 34.95 31.38 2c3u s ARG 114 CO 0.54 0.23 1.08 0.00 -0.81 0.00 0.00 175.30 176.34 2c3u n ALA 115 N 1.44 0.54 -2.50 6.12 0.00 -0.19 -3.57 120.51 122.36 2c3u n ALA 115 Ca -0.20 0.15 -0.33 0.00 0.00 0.00 0.00 53.44 53.06 2c3u n ALA 115 Cb 0.54 -2.16 -0.05 0.00 0.00 0.00 0.00 19.45 17.78 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 -1.35 5.01 -0.23 0.00 -1.09 -1.26 -4.66 121.20 117.61 2c3u s ILE 116 Ca 0.68 0.43 -0.29 0.00 -2.23 0.00 0.00 60.65 59.24 2c3u s ILE 116 Cb -0.48 -3.64 -0.00 0.00 -1.58 0.00 0.00 42.46 36.75 2c3u s ILE 116 CO 0.53 0.08 1.20 0.00 -1.23 0.00 0.00 174.94 175.52 2c3u s ALA 117 N -1.64 3.57 0.00 9.38 0.00 -1.26 -4.71 121.76 127.10 2c3u s ALA 117 Ca 0.41 0.24 0.00 0.00 0.00 0.00 0.00 51.96 52.61 2c3u s ALA 117 Cb -0.13 -3.65 0.00 0.00 0.00 0.00 0.00 23.12 19.34 2c3u s ALA 117 CO 0.21 -1.35 0.00 0.00 0.00 0.00 0.00 175.76 174.62 2c3u n ALA 118 N 6.85 0.07 0.26 0.00 0.00 -1.26 -4.87 120.51 121.56 2c3u n ALA 118 Ca 0.13 0.00 0.14 0.00 0.00 0.00 0.00 53.44 53.72 2c3u n ALA 118 Cb 0.46 0.00 0.70 0.00 0.00 0.00 0.00 19.45 20.61 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 -3.22 0.00 2.07 -1.90 -3.45 115.15 108.65 2c3u h HIS 119 Ca 0.00 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.52 2c3u h HIS 119 Cb 0.00 0.00 -0.09 0.00 2.57 0.00 0.00 27.41 29.89 2c3u h HIS 119 CO 0.00 0.11 0.09 0.00 -3.07 0.00 0.00 177.93 175.06 2c3u s ALA 120 N -3.91 -1.01 0.17 6.11 0.00 -1.26 -4.41 121.76 117.46 2c3u s ALA 120 Ca -0.01 -0.26 -0.07 0.00 0.00 0.00 0.00 51.96 51.62 2c3u s ALA 120 Cb 0.11 0.89 -0.06 0.00 0.00 0.00 0.00 23.12 24.06 2c3u s ALA 120 CO 0.57 -0.88 0.45 -1.17 0.00 0.00 0.00 175.76 174.73 2c3u s LEU 121 N -2.89 4.23 -0.15 0.00 0.20 -1.26 -4.34 118.68 114.47 2c3u s LEU 121 Ca 0.11 0.74 -0.08 0.00 0.69 0.00 0.00 54.13 55.58 2c3u s LEU 121 Cb -0.03 -3.45 0.05 0.00 -0.43 0.00 0.00 46.19 42.34 2c3u s LEU 121 CO 0.01 0.01 0.36 -0.55 -0.29 0.00 0.00 176.35 175.89 2c3u s SER 122 N -2.36 -0.44 0.00 3.68 0.15 -1.26 -5.00 113.70 108.46 2c3u s SER 122 Ca 0.43 0.79 0.26 0.00 0.70 0.00 0.00 55.95 58.13 2c3u s SER 122 Cb -0.12 0.67 0.92 0.00 -1.71 0.00 0.00 66.02 65.79 2c3u s SER 122 CO 0.23 -0.18 1.67 2.30 1.20 0.00 0.00 173.24 178.45 2c3u n ILE 123 N 4.19 0.05 -2.40 6.45 -0.00 -1.26 -4.32 119.36 122.06 2c3u n ILE 123 Ca -0.23 -0.30 -0.25 0.00 -0.00 0.00 0.00 62.75 61.97 2c3u n ILE 123 Cb 0.55 0.55 0.05 0.00 -0.00 0.00 0.00 39.64 40.78 2c3u n ILE 123 CO 0.00 0.00 0.00 -0.36 -0.00 0.00 0.00 176.55 176.19 2c3u s PHE 124 N -1.95 3.04 0.07 4.28 0.08 -1.26 -4.39 117.98 117.85 2c3u s PHE 124 Ca 0.36 0.40 -0.30 0.00 0.12 0.00 0.00 56.93 57.52 2c3u s PHE 124 Cb 0.20 -2.90 -0.05 0.00 -0.57 0.00 0.00 43.02 39.70 2c3u s PHE 124 CO 0.32 -1.04 0.96 0.20 -0.10 0.00 0.00 175.22 175.56 2c3u s GLY 125 N -4.41 2.97 0.10 4.36 0.00 -1.18 -1.02 107.32 108.14 2c3u s GLY 125 Ca 0.57 0.56 -0.25 0.00 0.00 0.00 0.00 44.72 45.60 2c3u s GLY 125 CO 0.43 1.53 1.13 0.51 0.00 0.00 0.00 173.10 176.71 2c3u s ASP 126 N 0.35 -0.01 -0.11 1.64 3.84 -0.96 -0.24 116.67 121.18 2c3u s ASP 126 Ca 0.49 -0.47 0.19 0.00 -0.00 0.00 0.00 52.55 52.76 2c3u s ASP 126 Cb -0.22 0.36 0.73 0.00 -1.38 0.00 0.00 42.92 42.41 2c3u s ASP 126 CO 0.29 -0.71 1.64 1.41 -0.00 0.00 0.00 175.17 177.80 2c3u n HIS 127 N -0.74 1.49 -0.18 2.11 8.25 0.07 -2.62 115.22 123.60 2c3u n HIS 127 Ca -0.01 -0.60 0.11 0.00 -0.26 0.00 0.00 57.72 56.95 2c3u n HIS 127 Cb 0.59 -0.23 0.42 0.00 1.12 0.00 0.00 29.99 31.90 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 4.21 0.58 0.02 -0.41 4.20 -1.80 -1.52 115.11 120.38 2c3u h GLN 128 Ca 0.00 -0.03 -0.06 0.00 0.06 0.00 0.00 58.65 58.61 2c3u h GLN 128 Cb 1.44 -0.13 0.01 0.00 0.30 0.00 0.00 27.48 29.10 2c3u h GLN 128 CO 0.22 0.38 -0.25 0.38 -0.67 0.00 0.00 178.83 178.89 2c3u h ASP 129 N 0.59 0.19 0.18 1.46 -0.00 -1.78 -3.00 116.42 114.06 2c3u h ASP 129 Ca 0.35 -0.84 -0.07 0.00 -0.00 0.00 0.00 57.03 56.48 2c3u h ASP 129 Cb 0.57 -0.06 -0.01 0.00 -0.00 0.00 0.00 39.33 39.83 2c3u h ASP 129 CO -0.13 1.01 -0.26 0.16 -0.00 0.00 0.00 179.24 180.02 2c3u h ILE 130 N -0.60 1.22 0.00 4.15 -0.00 -1.84 -1.88 117.51 118.56 2c3u h ILE 130 Ca -0.04 -1.05 -0.08 0.00 -0.00 0.00 0.00 64.86 63.69 2c3u h ILE 130 Cb 1.06 1.46 -0.01 0.00 -0.00 0.00 0.00 36.82 39.33 2c3u h ILE 130 CO 0.05 0.31 -0.37 1.88 -0.00 0.00 0.00 178.15 180.02 2c3u h TYR 131 N 0.13 0.00 0.00 0.16 0.99 -1.37 -2.32 116.97 114.57 2c3u h TYR 131 Ca 0.02 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.75 2c3u h TYR 131 Cb 0.54 0.00 0.00 0.00 1.00 0.00 0.00 36.73 38.27 2c3u h TYR 131 CO 0.01 0.37 0.00 0.00 -0.00 0.00 0.00 178.16 178.54 2c3u h ALA 132 N 1.63 1.00 -0.30 3.88 0.00 -1.19 -2.83 119.26 121.45 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 0.76 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.55 2c3u h ALA 132 CO 0.05 0.00 0.00 0.00 0.00 0.00 0.00 179.25 179.30 2c3u n ALA 133 N -1.91 2.44 0.29 0.00 0.00 -0.88 -4.71 120.51 115.73 2c3u n ALA 133 Ca 0.01 -1.53 0.16 0.00 0.00 0.00 0.00 53.44 52.08 2c3u n ALA 133 Cb 0.26 -0.51 0.87 0.00 0.00 0.00 0.00 19.45 20.07 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 1.87 0.00 -0.20 0.00 0.11 -1.40 -2.63 114.38 112.13 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 0.96 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.04 2c3u h ARG 134 CO 0.07 0.05 0.00 0.00 0.10 0.00 0.00 179.97 180.20 2c3u n GLN 135 N -3.56 2.00 0.00 0.08 0.00 -1.26 -4.21 117.38 110.43 2c3u n GLN 135 Ca -0.02 -1.50 0.12 0.00 0.00 0.00 0.00 57.00 55.60 2c3u n GLN 135 Cb 0.17 -1.44 0.52 0.00 0.00 0.00 0.00 30.24 29.48 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 0.74 0.33 -0.41 -0.39 -2.24 -0.99 -4.90 114.28 106.42 2c3u n THR 136 Ca 0.17 0.08 0.00 0.00 -2.27 0.00 0.00 64.05 62.03 2c3u n THR 136 Cb 0.44 -0.67 0.00 0.00 -2.10 0.00 0.00 70.33 68.00 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 1.00 0.74 3.76 3.38 0.00 -1.26 -4.09 105.19 108.71 2c3u n GLY 137 Ca 0.06 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.68 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 -2.47 3.96 0.64 1.61 0.40 -1.26 -4.75 117.98 116.11 2c3u s PHE 138 Ca 0.00 1.83 -0.16 0.00 -0.60 0.00 0.00 56.93 58.00 2c3u s PHE 138 Cb 0.00 -2.92 -0.01 0.00 0.51 0.00 0.00 43.02 40.60 2c3u s PHE 138 CO 0.00 0.47 1.11 0.00 0.70 0.00 0.00 175.22 177.49 2c3u s ALA 139 N -1.12 2.52 -0.12 5.36 0.00 0.13 -4.82 121.76 123.70 2c3u s ALA 139 Ca 0.40 0.56 -0.01 0.00 0.00 0.00 0.00 51.96 52.91 2c3u s ALA 139 Cb -0.25 -3.31 0.04 0.00 0.00 0.00 0.00 23.12 19.59 2c3u s ALA 139 CO 0.30 -1.17 -0.01 -1.64 0.00 0.00 0.00 175.76 173.23 2c3u s MET 140 N -4.00 0.94 -0.17 0.00 -1.94 0.71 -0.69 119.30 114.15 2c3u s MET 140 Ca 0.67 -0.20 0.00 0.00 -1.71 0.00 0.00 55.69 54.46 2c3u s MET 140 Cb -0.20 -1.54 0.01 0.00 2.01 0.00 0.00 34.83 35.10 2c3u s MET 140 CO 0.39 -0.40 -0.16 -1.17 -0.01 0.00 0.00 175.02 173.68 2c3u s LEU 141 N 1.83 2.39 -0.04 -0.03 0.20 -0.51 -0.87 118.68 121.65 2c3u s LEU 141 Ca 0.03 -0.53 -0.10 0.00 0.69 0.00 0.00 54.13 54.21 2c3u s LEU 141 Cb -0.14 -1.55 -0.05 0.00 -0.43 0.00 0.00 46.19 44.02 2c3u s LEU 141 CO -0.07 0.04 0.28 0.00 -0.29 0.00 0.00 176.35 176.31 2c3u s ALA 142 N 1.07 3.79 -0.08 5.97 0.00 0.67 -1.32 121.76 131.85 2c3u s ALA 142 Ca -0.01 -0.44 0.04 0.00 0.00 0.00 0.00 51.96 51.56 2c3u s ALA 142 Cb -0.14 -2.17 -0.00 0.00 0.00 0.00 0.00 23.12 20.80 2c3u s ALA 142 CO -0.05 0.56 -0.22 -1.54 0.00 0.00 0.00 175.76 174.52 2c3u s SER 143 N -1.16 2.79 -0.11 0.00 1.04 -0.56 -4.72 113.70 110.98 2c3u s SER 143 Ca 0.21 -0.49 0.16 0.00 0.48 0.00 0.00 55.95 56.31 2c3u s SER 143 Cb -0.14 -1.13 0.58 0.00 0.10 0.00 0.00 66.02 65.43 2c3u s SER 143 CO 0.10 0.16 1.50 -1.54 0.98 0.00 0.00 173.24 174.43 2c3u n SER 144 N 3.41 4.17 -3.59 7.02 3.41 -1.26 -4.45 113.62 122.32 2c3u n SER 144 Ca -0.19 -2.53 -0.07 0.00 -0.26 0.00 0.00 58.87 55.81 2c3u n SER 144 Cb 0.53 -0.50 -0.02 0.00 -0.26 0.00 0.00 64.21 63.96 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 -1.21 -0.33 0.17 4.04 1.04 -1.26 -3.84 113.70 112.32 2c3u s SER 145 Ca 0.42 -0.17 -0.14 0.00 0.48 0.00 0.00 55.95 56.55 2c3u s SER 145 Cb 0.29 0.47 0.12 0.00 0.10 0.00 0.00 66.02 67.00 2c3u s SER 145 CO 0.18 -0.81 1.77 0.58 0.98 0.00 0.00 173.24 175.94 2c3u h VAL 146 N 2.00 0.94 -0.81 5.02 2.07 -1.92 0.47 116.25 124.03 2c3u h VAL 146 Ca -0.24 -0.15 -0.02 0.00 0.82 0.00 0.00 66.70 67.11 2c3u h VAL 146 Cb 1.25 0.47 -0.04 0.00 -1.52 0.00 0.00 31.29 31.45 2c3u h VAL 146 CO 0.30 0.08 0.41 -0.61 0.02 0.00 0.00 177.57 177.77 2c3u h GLN 147 N 0.43 1.14 -0.06 1.57 5.75 -1.95 -2.39 115.11 119.59 2c3u h GLN 147 Ca 0.21 -0.15 -0.11 0.00 -0.15 0.00 0.00 58.65 58.45 2c3u h GLN 147 Cb 0.14 -0.22 -0.01 0.00 1.07 0.00 0.00 27.48 28.46 2c3u h GLN 147 CO -0.16 0.86 -0.45 0.93 -2.65 0.00 0.00 178.83 177.36 2c3u h GLU 148 N 1.14 0.15 -0.57 1.69 5.08 -1.75 -2.91 114.58 117.41 2c3u h GLU 148 Ca 0.28 -0.07 0.02 0.00 -1.00 0.00 0.00 59.36 58.58 2c3u h GLU 148 Cb 0.07 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.29 2c3u h GLU 148 CO -0.04 0.57 0.36 0.00 -1.00 0.00 0.00 179.01 178.90 2c3u h ALA 149 N 1.42 0.73 -0.22 3.43 0.00 -0.40 0.34 119.26 124.56 2c3u h ALA 149 Ca 0.01 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 2c3u h ALA 149 Cb 0.84 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.42 2c3u h ALA 149 CO 0.06 0.12 0.12 1.25 0.00 0.00 0.00 179.25 180.80 2c3u h HIS 150 N 0.73 0.30 -0.29 0.00 -0.00 -1.48 -1.17 115.15 113.24 2c3u h HIS 150 Ca 0.22 -0.01 -0.04 0.00 -0.00 0.00 0.00 60.37 60.54 2c3u h HIS 150 Cb -0.03 -0.10 -0.01 0.00 -0.00 0.00 0.00 27.41 27.27 2c3u h HIS 150 CO -0.05 0.27 0.00 -0.44 -0.00 0.00 0.00 177.93 177.72 2c3u h ASP 151 N 0.24 0.49 0.18 3.26 3.32 -1.20 -2.63 116.42 120.09 2c3u h ASP 151 Ca 0.08 -0.31 -0.13 0.00 0.02 0.00 0.00 57.03 56.69 2c3u h ASP 151 Cb 0.07 -0.13 -0.01 0.00 0.22 0.00 0.00 39.33 39.48 2c3u h ASP 151 CO -0.01 0.68 -0.49 0.24 -1.72 0.00 0.00 179.24 177.93 2c3u h MET 152 N 0.30 0.36 -0.88 3.56 2.86 -0.37 -1.49 114.93 119.26 2c3u h MET 152 Ca 0.08 -0.21 -0.02 0.00 -2.06 0.00 0.00 59.70 57.50 2c3u h MET 152 Cb 0.42 0.01 -0.04 0.00 0.06 0.00 0.00 31.60 32.06 2c3u h MET 152 CO 0.01 0.78 0.47 0.00 1.06 0.00 0.00 176.91 179.23 2c3u h ALA 153 N 1.19 1.18 -0.05 6.32 0.00 -1.18 0.16 119.26 126.88 2c3u h ALA 153 Ca 0.01 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.78 2c3u h ALA 153 Cb 0.97 -0.35 -0.00 0.00 0.00 0.00 0.00 17.79 18.41 2c3u h ALA 153 CO 0.08 0.66 -0.00 1.25 0.00 0.00 0.00 179.25 181.24 2c3u h LEU 154 N 1.23 0.08 -0.59 0.00 6.46 -1.09 -2.58 115.31 118.83 2c3u h LEU 154 Ca 0.31 -0.33 0.06 0.00 -0.12 0.00 0.00 57.88 57.79 2c3u h LEU 154 Cb 0.04 -0.02 -0.05 0.00 -0.73 0.00 0.00 40.66 39.90 2c3u h LEU 154 CO -0.05 0.40 0.30 0.58 -0.62 0.00 0.00 178.44 179.04 2c3u h VAL 155 N -0.23 0.93 -0.48 1.05 2.07 -0.99 -1.58 116.25 117.01 2c3u h VAL 155 Ca 0.01 -0.19 0.05 0.00 0.82 0.00 0.00 66.70 67.39 2c3u h VAL 155 Cb 0.36 0.32 -0.05 0.00 -1.52 0.00 0.00 31.29 30.40 2c3u h VAL 155 CO 0.00 0.10 0.22 0.00 0.02 0.00 0.00 177.57 177.91 2c3u h ALA 156 N 1.33 0.60 -0.08 1.67 0.00 -0.60 0.90 119.26 123.08 2c3u h ALA 156 Ca 0.27 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.20 2c3u h ALA 156 Cb 0.20 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 17.96 2c3u h ALA 156 CO -0.19 -0.15 0.00 0.45 0.00 0.00 0.00 179.25 179.36 2c3u h HIS 157 N 0.42 0.16 -0.80 0.00 -0.00 -1.13 -1.00 115.15 112.80 2c3u h HIS 157 Ca 0.22 -0.03 0.00 0.00 -0.00 0.00 0.00 60.37 60.57 2c3u h HIS 157 Cb 0.17 -0.04 -0.04 0.00 -0.00 0.00 0.00 27.41 27.50 2c3u h HIS 157 CO -0.12 0.39 0.51 -0.07 -0.00 0.00 0.00 177.93 178.64 2c3u h LEU 158 N -0.12 0.93 -0.47 2.43 3.38 -1.02 -2.37 115.31 118.07 2c3u h LEU 158 Ca 0.02 -0.04 -0.17 0.00 0.09 0.00 0.00 57.88 57.79 2c3u h LEU 158 Cb 0.33 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 40.84 2c3u h LEU 158 CO 0.00 0.69 -0.54 0.00 0.09 0.00 0.00 178.44 178.68 2c3u h ALA 159 N 1.28 0.65 -0.44 1.53 0.00 -0.77 -2.78 119.26 118.73 2c3u h ALA 159 Ca 0.29 -0.51 -0.03 0.00 0.00 0.00 0.00 54.91 54.66 2c3u h ALA 159 Cb -0.09 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.59 2c3u h ALA 159 CO -0.06 0.69 0.16 0.00 0.00 0.00 0.00 179.25 180.04 2c3u h ALA 160 N 0.91 0.57 -0.19 0.00 0.00 -1.00 0.14 119.26 119.69 2c3u h ALA 160 Ca 0.01 -0.16 0.03 0.00 0.00 0.00 0.00 54.91 54.79 2c3u h ALA 160 Cb 1.10 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.70 2c3u h ALA 160 CO 0.11 0.19 0.03 0.82 0.00 0.00 0.00 179.25 180.39 2c3u h ILE 161 N 0.56 0.90 -0.03 0.00 2.04 -1.39 -0.20 117.51 119.40 2c3u h ILE 161 Ca 0.14 -0.03 -0.19 0.00 1.00 0.00 0.00 64.86 65.78 2c3u h ILE 161 Cb 0.22 0.80 -0.01 0.00 -0.74 0.00 0.00 36.82 37.09 2c3u h ILE 161 CO -0.01 0.02 -0.81 -0.08 0.00 0.00 0.00 178.15 177.26 2c3u h GLU 162 N 0.10 0.31 0.00 2.37 4.81 -1.37 -3.33 114.58 117.46 2c3u h GLU 162 Ca 0.09 -0.29 0.00 0.00 -0.13 0.00 0.00 59.36 59.03 2c3u h GLU 162 Cb 0.09 0.07 0.00 0.00 0.63 0.00 0.00 28.75 29.54 2c3u h GLU 162 CO -0.12 0.97 -0.95 -1.13 -0.73 0.00 0.00 179.01 177.04 2c3u n SER 163 N -3.76 0.79 -0.42 1.04 3.41 0.47 -4.95 113.62 110.20 2c3u n SER 163 Ca -0.04 0.25 -0.05 0.00 -0.26 0.00 0.00 58.87 58.76 2c3u n SER 163 Cb 0.76 0.45 -0.02 0.00 -0.26 0.00 0.00 64.21 65.13 2c3u n SER 163 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 2c3u n ASN 164 N -2.52 -4.59 -4.43 4.04 4.13 -0.09 -4.93 115.26 106.88 2c3u n ASN 164 Ca 0.01 0.14 -0.35 0.00 1.68 0.00 0.00 54.58 56.05 2c3u n ASN 164 Cb 0.52 -2.57 -0.13 0.00 -1.54 0.00 0.00 39.78 36.06 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 -1.89 3.87 0.57 2.41 1.01 -1.25 -2.73 120.40 122.38 2c3u s VAL 165 Ca 0.00 -0.34 -0.20 0.00 0.00 0.00 0.00 61.98 61.43 2c3u s VAL 165 Cb 0.00 -2.75 -0.04 0.00 0.00 0.00 0.00 36.38 33.59 2c3u s VAL 165 CO 0.00 0.43 1.29 -2.16 0.00 0.00 0.00 175.10 174.66 2c3u s PRO 166 N 1.04 3.04 0.09 2.72 0.04 -0.96 -4.40 135.00 136.57 2c3u s PRO 166 Ca 0.02 2.05 0.09 0.00 0.04 0.00 0.00 61.00 63.20 2c3u s PRO 166 Cb -0.14 -2.11 -0.04 0.00 0.04 0.00 0.00 34.50 32.25 2c3u s PRO 166 CO 0.01 -1.21 -0.21 -0.06 0.04 0.00 0.00 177.00 175.57 2c3u s PHE 167 N -1.41 2.47 -0.27 0.56 0.40 -0.27 -0.70 117.98 118.76 2c3u s PHE 167 Ca 0.74 -0.30 0.03 0.00 -0.60 0.00 0.00 56.93 56.80 2c3u s PHE 167 Cb -0.36 -1.36 0.07 0.00 0.51 0.00 0.00 43.02 41.87 2c3u s PHE 167 CO 0.41 0.31 -0.08 1.41 0.70 0.00 0.00 175.22 177.98 2c3u s MET 168 N -1.84 2.04 -0.19 0.44 -2.45 0.13 -0.53 119.30 116.89 2c3u s MET 168 Ca 0.16 -1.39 -0.18 0.00 -1.25 0.00 0.00 55.69 53.03 2c3u s MET 168 Cb -0.10 -2.90 -0.03 0.00 1.25 0.00 0.00 34.83 33.05 2c3u s MET 168 CO 0.07 -0.64 0.48 -1.58 1.05 0.00 0.00 175.02 174.41 2c3u s HIS 169 N 1.11 3.38 0.05 4.11 2.46 0.10 -1.42 115.29 125.08 2c3u s HIS 169 Ca -0.05 0.74 0.03 0.00 0.47 0.00 0.00 55.06 56.24 2c3u s HIS 169 Cb -0.20 -2.62 -0.02 0.00 -0.13 0.00 0.00 32.58 29.61 2c3u s HIS 169 CO -0.06 -0.05 -0.09 -0.59 -2.47 0.00 0.00 174.74 171.48 2c3u s PHE 170 N 1.46 0.78 0.04 3.88 -0.12 -0.44 -0.79 117.98 122.80 2c3u s PHE 170 Ca 0.23 -0.48 -0.09 0.00 -0.05 0.00 0.00 56.93 56.54 2c3u s PHE 170 Cb -0.15 -0.46 0.00 0.00 -0.63 0.00 0.00 43.02 41.78 2c3u s PHE 170 CO 0.09 -0.05 0.18 -0.59 -0.05 0.00 0.00 175.22 174.79 2c3u s PHE 171 N -1.34 0.09 0.18 3.49 -0.12 -0.95 -1.50 117.98 117.84 2c3u s PHE 171 Ca -0.08 -0.34 -0.32 0.00 -0.05 0.00 0.00 56.93 56.14 2c3u s PHE 171 Cb -0.10 -0.05 -0.12 0.00 -0.63 0.00 0.00 43.02 42.12 2c3u s PHE 171 CO 0.01 -0.42 1.76 -0.25 -0.05 0.00 0.00 175.22 176.26 2c3u n ASP 172 N 0.66 3.98 -4.72 1.98 10.43 -1.26 -0.78 116.55 126.83 2c3u n ASP 172 Ca -0.19 1.04 -0.42 0.00 2.57 0.00 0.00 54.79 57.79 2c3u n ASP 172 Cb 0.59 -1.56 -0.03 0.00 1.84 0.00 0.00 41.12 41.96 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 4.04 1.54 5.00 0.44 0.00 -0.60 -1.65 105.19 113.96 2c3u n GLY 173 Ca 0.17 0.62 0.00 0.00 0.00 0.00 0.00 46.02 46.81 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 4.02 0.00 -0.27 1.61 3.72 -1.26 -3.11 117.46 122.17 2c3u n PHE 174 Ca 0.16 0.00 0.32 0.00 -0.05 0.00 0.00 57.45 57.88 2c3u n PHE 174 Cb 0.35 0.00 0.74 0.00 -0.94 0.00 0.00 39.48 39.62 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 0.01 0.00 -1.08 9.65 -1.96 -0.60 114.38 120.41 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 0.01 -0.86 2.41 2.80 0.00 0.00 179.97 184.33 2c3u n THR 176 N -4.22 0.00 -0.17 0.20 -1.04 -0.66 -4.35 114.28 104.04 2c3u n THR 176 Ca 0.23 0.00 0.02 0.00 -2.04 0.00 0.00 64.05 62.25 2c3u n THR 176 Cb 1.13 -0.61 0.29 0.00 -1.82 0.00 0.00 70.33 69.31 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 0.77 -0.02 8.00 4.64 -1.33 -2.05 113.55 123.57 2c3u h SER 177 Ca 0.00 -0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.30 2c3u h SER 177 Cb 0.86 -0.19 0.00 0.00 -0.31 0.00 0.00 62.40 62.76 2c3u h SER 177 CO 0.00 0.56 -0.10 1.41 -0.87 0.00 0.00 176.83 177.83 2c3u n HIS 178 N -4.44 0.00 -2.62 4.77 8.25 -0.25 -1.49 115.22 119.44 2c3u n HIS 178 Ca 0.07 0.00 -0.40 0.00 -0.26 0.00 0.00 57.72 57.13 2c3u n HIS 178 Cb 0.04 0.00 -0.05 0.00 1.12 0.00 0.00 29.99 31.10 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 -1.43 4.73 0.00 -0.41 2.12 -1.09 -4.75 118.70 117.87 2c3u s GLU 179 Ca 0.16 1.62 0.01 0.00 0.36 0.00 0.00 54.97 57.12 2c3u s GLU 179 Cb 0.12 -3.26 -0.04 0.00 0.26 0.00 0.00 34.13 31.21 2c3u s GLU 179 CO 0.25 0.32 0.03 0.96 -0.54 0.00 0.00 175.26 176.27 2c3u s ILE 180 N -0.88 4.34 0.07 -3.70 -0.00 0.13 -3.21 121.20 117.94 2c3u s ILE 180 Ca 0.44 -0.56 -0.10 0.00 -0.00 0.00 0.00 60.65 60.43 2c3u s ILE 180 Cb -0.28 -2.96 0.01 0.00 -0.00 0.00 0.00 42.46 39.22 2c3u s ILE 180 CO 0.35 0.35 0.22 -1.10 -0.00 0.00 0.00 174.94 174.76 2c3u s GLN 181 N -1.67 0.81 -0.44 0.37 -1.52 -0.20 -0.93 119.66 116.08 2c3u s GLN 181 Ca 0.21 -0.77 -0.23 0.00 -1.95 0.00 0.00 55.36 52.63 2c3u s GLN 181 Cb -0.12 0.33 0.02 0.00 -0.22 0.00 0.00 33.01 33.03 2c3u s GLN 181 CO 0.12 -0.25 0.76 0.21 -0.25 0.00 0.00 175.29 175.88 2c3u s LYS 182 N -3.24 3.43 0.44 2.91 2.20 -1.09 -2.16 119.74 122.23 2c3u s LYS 182 Ca 0.00 -0.10 0.03 0.00 -0.36 0.00 0.00 55.97 55.55 2c3u s LYS 182 Cb 0.02 -3.92 -0.02 0.00 -1.51 0.00 0.00 37.83 32.40 2c3u s LYS 182 CO -0.08 -1.06 0.12 0.96 -0.36 0.00 0.00 175.35 174.93 2c3u s ILE 183 N 3.19 0.63 -0.06 5.43 -4.36 0.37 -4.80 121.20 121.60 2c3u s ILE 183 Ca 0.29 -2.00 0.03 0.00 -0.26 0.00 0.00 60.65 58.71 2c3u s ILE 183 Cb -0.13 -2.26 -0.03 0.00 1.25 0.00 0.00 42.46 41.30 2c3u s ILE 183 CO 0.21 0.00 -0.13 -0.70 0.24 0.00 0.00 174.94 174.56 2c3u s GLU 184 N -3.71 2.61 0.31 0.37 2.12 -1.26 -0.06 118.70 119.08 2c3u s GLU 184 Ca 0.19 -0.68 0.07 0.00 0.36 0.00 0.00 54.97 54.92 2c3u s GLU 184 Cb 0.01 -2.43 -0.06 0.00 0.26 0.00 0.00 34.13 31.92 2c3u s GLU 184 CO 0.12 0.59 -0.06 0.14 -0.54 0.00 0.00 175.26 175.52 2c3u s VAL 185 N -0.65 1.83 0.08 3.70 -7.23 0.19 -4.92 120.40 113.41 2c3u s VAL 185 Ca 0.10 -2.14 0.02 0.00 -1.81 0.00 0.00 61.98 58.15 2c3u s VAL 185 Cb -0.11 -2.55 -0.04 0.00 0.56 0.00 0.00 36.38 34.24 2c3u s VAL 185 CO 0.01 -0.24 0.14 -0.76 -0.31 0.00 0.00 175.10 173.94 2c3u s LEU 186 N -3.51 4.03 0.67 1.32 1.43 -1.26 -0.50 118.68 120.86 2c3u s LEU 186 Ca 0.31 0.09 -0.13 0.00 -1.03 0.00 0.00 54.13 53.37 2c3u s LEU 186 Cb 0.04 -2.67 0.00 0.00 0.03 0.00 0.00 46.19 43.59 2c3u s LEU 186 CO 0.14 0.16 1.08 -1.81 0.23 0.00 0.00 176.35 176.15 2c3u s ASP 187 N -2.51 5.24 0.41 2.29 1.01 -0.60 -4.93 116.67 117.57 2c3u s ASP 187 Ca 0.32 1.83 0.11 0.00 0.71 0.00 0.00 52.55 55.51 2c3u s ASP 187 Cb -0.12 -2.53 0.85 0.00 1.01 0.00 0.00 42.92 42.13 2c3u s ASP 187 CO 0.25 -1.54 1.95 1.88 0.21 0.00 0.00 175.17 177.92 2c3u h TYR 188 N -0.25 0.21 -0.58 4.23 -1.99 -1.97 -2.59 116.97 114.03 2c3u h TYR 188 Ca -0.45 -0.02 -0.01 0.00 2.00 0.00 0.00 58.73 60.24 2c3u h TYR 188 Cb 1.23 -0.06 -0.03 0.00 2.00 0.00 0.00 36.73 39.87 2c3u h TYR 188 CO 0.58 0.31 0.31 0.00 -0.00 0.00 0.00 178.16 179.37 2c3u h ALA 189 N 1.70 0.74 -0.88 3.88 0.00 -1.97 -0.97 119.26 121.76 2c3u h ALA 189 Ca 0.04 -0.10 0.06 0.00 0.00 0.00 0.00 54.91 54.91 2c3u h ALA 189 Cb 0.32 -0.23 -0.06 0.00 0.00 0.00 0.00 17.79 17.82 2c3u h ALA 189 CO 0.02 0.26 0.56 -0.44 0.00 0.00 0.00 179.25 179.65 2c3u h ASP 190 N 0.78 0.89 -0.33 0.00 3.45 -1.82 -1.33 116.42 118.05 2c3u h ASP 190 Ca 0.20 0.01 -0.04 0.00 0.43 0.00 0.00 57.03 57.64 2c3u h ASP 190 Cb 0.05 -0.17 -0.01 0.00 -0.56 0.00 0.00 39.33 38.64 2c3u h ASP 190 CO -0.03 0.57 0.07 0.24 -1.57 0.00 0.00 179.24 178.52 2c3u h MET 191 N 1.02 0.54 -0.85 3.56 2.86 -1.27 -2.89 114.93 117.90 2c3u h MET 191 Ca 0.38 -0.14 0.04 0.00 -2.06 0.00 0.00 59.70 57.92 2c3u h MET 191 Cb 0.15 -0.07 -0.05 0.00 0.06 0.00 0.00 31.60 31.69 2c3u h MET 191 CO -0.17 0.62 0.56 0.00 1.06 0.00 0.00 176.91 178.98 2c3u h ALA 192 N 0.90 1.50 0.00 6.32 0.00 -0.61 -2.01 119.26 125.36 2c3u h ALA 192 Ca 0.10 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.98 2c3u h ALA 192 Cb 0.33 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 17.83 2c3u h ALA 192 CO 0.00 0.40 0.00 0.66 0.00 0.00 0.00 179.25 180.32 2c3u h SER 193 N 1.03 0.00 0.77 0.00 4.64 -1.05 -2.32 113.55 116.62 2c3u h SER 193 Ca 0.35 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.67 2c3u h SER 193 Cb 0.08 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.17 2c3u h SER 193 CO -0.11 0.00 -0.45 0.18 -0.87 0.00 0.00 176.83 175.58 2c3u n LEU 194 N -2.94 0.53 -4.73 5.97 4.32 -0.76 -4.92 117.00 114.46 2c3u n LEU 194 Ca -0.00 0.19 -0.42 0.00 -0.02 0.00 0.00 56.01 55.77 2c3u n LEU 194 Cb 0.22 -0.26 -0.03 0.00 -1.62 0.00 0.00 43.42 41.74 2c3u n LEU 194 CO 0.24 0.02 1.11 -0.69 -1.22 0.00 0.00 177.39 176.84 2c3u s VAL 195 N -3.07 2.80 -0.78 4.08 1.01 -0.88 -4.95 120.40 118.62 2c3u s VAL 195 Ca 0.09 0.64 -0.26 0.00 0.00 0.00 0.00 61.98 62.45 2c3u s VAL 195 Cb 0.16 -3.41 0.03 0.00 0.00 0.00 0.00 36.38 33.16 2c3u s VAL 195 CO 0.68 0.08 1.39 0.21 0.00 0.00 0.00 175.10 177.46 2c3u s ASN 196 N 0.61 6.09 0.25 3.32 3.84 -1.26 -4.89 114.94 122.91 2c3u s ASN 196 Ca 0.62 -0.54 -0.05 0.00 0.21 0.00 0.00 52.86 53.11 2c3u s ASN 196 Cb -0.41 -2.56 0.36 0.00 -0.55 0.00 0.00 41.25 38.09 2c3u s ASN 196 CO 0.38 -1.87 1.86 1.56 -2.79 0.00 0.00 177.10 176.24 2c3u h GLN 197 N 10.57 0.98 -0.26 0.43 1.08 -1.95 -1.67 115.11 124.28 2c3u h GLN 197 Ca -0.19 -0.06 -0.14 0.00 -1.45 0.00 0.00 58.65 56.82 2c3u h GLN 197 Cb 1.05 -0.22 -0.01 0.00 -0.05 0.00 0.00 27.48 28.25 2c3u h GLN 197 CO 1.30 0.65 -0.40 0.87 -0.95 0.00 0.00 178.83 180.30 2c3u h LYS 198 N 1.01 0.61 -0.50 1.46 6.56 -1.99 -0.26 116.57 123.46 2c3u h LYS 198 Ca 0.39 -0.31 -0.06 0.00 -1.06 0.00 0.00 60.65 59.61 2c3u h LYS 198 Cb 0.19 0.00 -0.02 0.00 -0.57 0.00 0.00 32.23 31.83 2c3u h LYS 198 CO -0.18 0.90 0.07 0.00 -2.06 0.00 0.00 179.45 178.18 2c3u h ALA 199 N 1.06 0.67 -0.40 3.86 0.00 -1.80 -0.48 119.26 122.16 2c3u h ALA 199 Ca 0.04 -0.25 -0.01 0.00 0.00 0.00 0.00 54.91 54.70 2c3u h ALA 199 Cb 0.91 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.49 2c3u h ALA 199 CO 0.08 0.42 0.20 1.25 0.00 0.00 0.00 179.25 181.20 2c3u h LEU 200 N 0.72 0.52 -0.55 0.00 5.85 -1.08 -1.38 115.31 119.39 2c3u h LEU 200 Ca 0.15 -0.12 -0.02 0.00 0.84 0.00 0.00 57.88 58.74 2c3u h LEU 200 Cb 0.42 -0.13 -0.03 0.00 0.37 0.00 0.00 40.66 41.29 2c3u h LEU 200 CO 0.01 0.49 0.28 0.00 -0.34 0.00 0.00 178.44 178.88 2c3u h ALA 201 N 1.05 0.70 -0.81 1.25 0.00 -0.83 -2.21 119.26 118.41 2c3u h ALA 201 Ca 0.14 -0.11 0.04 0.00 0.00 0.00 0.00 54.91 54.97 2c3u h ALA 201 Cb 0.10 -0.22 -0.05 0.00 0.00 0.00 0.00 17.79 17.63 2c3u h ALA 201 CO -0.02 0.25 0.53 0.93 0.00 0.00 0.00 179.25 180.94 2c3u h GLU 202 N 0.74 0.96 -0.68 0.00 5.08 -0.71 -0.97 114.58 118.99 2c3u h GLU 202 Ca 0.19 -0.06 -0.01 0.00 -1.00 0.00 0.00 59.36 58.48 2c3u h GLU 202 Cb 0.09 -0.22 -0.03 0.00 0.50 0.00 0.00 28.75 29.09 2c3u h GLU 202 CO -0.03 0.64 0.38 0.35 -1.00 0.00 0.00 179.01 179.35 2c3u h PHE 203 N 0.99 0.93 0.26 4.33 3.57 -0.79 -0.97 116.94 125.27 2c3u h PHE 203 Ca 0.32 -0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.79 2c3u h PHE 203 Cb 0.06 -0.30 0.00 0.00 2.79 0.00 0.00 35.95 38.50 2c3u h PHE 203 CO -0.00 0.66 -0.13 0.00 -2.23 0.00 0.00 178.31 176.61 2c3u h ARG 204 N 0.93 -0.34 0.00 1.11 2.47 -0.67 -2.87 114.38 115.01 2c3u h ARG 204 Ca 0.24 0.02 -0.00 0.00 -1.26 0.00 0.00 59.98 58.98 2c3u h ARG 204 Cb 0.03 0.08 -0.00 0.00 -1.65 0.00 0.00 29.97 28.43 2c3u h ARG 204 CO -0.04 -0.09 -0.01 0.00 0.56 0.00 0.00 179.97 180.39 2c3u h ALA 205 N 0.12 1.55 -0.01 0.04 0.00 -1.06 -1.46 119.26 118.45 2c3u h ALA 205 Ca -0.04 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.87 2c3u h ALA 205 Cb 0.41 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.20 2c3u h ALA 205 CO 0.06 0.01 -0.25 0.36 0.00 0.00 0.00 179.25 179.42 2c3u n LYS 206 N -3.90 1.12 -1.32 0.00 2.85 -0.38 -4.96 118.16 111.58 2c3u n LYS 206 Ca -0.03 -0.75 -0.30 0.00 -1.05 0.00 0.00 58.31 56.18 2c3u n LYS 206 Cb 0.09 -1.48 0.12 0.00 -0.65 0.00 0.00 35.03 33.11 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 -2.39 3.87 0.23 -5.58 0.01 -0.55 -4.97 113.70 104.32 2c3u s SER 207 Ca 0.25 1.46 -0.31 0.00 1.31 0.00 0.00 55.95 58.66 2c3u s SER 207 Cb 0.19 -2.16 -0.11 0.00 0.21 0.00 0.00 66.02 64.16 2c3u s SER 207 CO 0.49 -2.38 1.54 -0.04 0.41 0.00 0.00 173.24 173.26 2c3u s MET 208 N -5.00 4.20 -0.30 12.44 -1.94 0.17 -4.94 119.30 123.94 2c3u s MET 208 Ca 0.62 2.42 -0.16 0.00 -1.71 0.00 0.00 55.69 56.87 2c3u s MET 208 Cb -0.17 -3.10 0.16 0.00 2.01 0.00 0.00 34.83 33.73 2c3u s MET 208 CO 0.56 -0.56 1.00 1.21 -0.01 0.00 0.00 175.02 177.22 2c3u s ASN 209 N 0.70 -0.51 0.56 3.03 3.84 -1.26 -4.73 114.94 116.57 2c3u s ASN 209 Ca 0.65 0.75 0.34 0.00 0.21 0.00 0.00 52.86 54.81 2c3u s ASN 209 Cb -0.45 1.43 1.87 0.00 -0.55 0.00 0.00 41.25 43.55 2c3u s ASN 209 CO 0.40 -0.11 2.04 1.55 -2.79 0.00 0.00 177.10 178.19 2c3u h PRO 210 N 6.79 0.00 0.00 0.43 0.13 -1.99 -0.32 132.00 137.04 2c3u h PRO 210 Ca -0.21 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.89 2c3u h PRO 210 Cb 1.15 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.28 2c3u h PRO 210 CO 0.14 0.00 -0.11 1.49 -0.23 0.00 0.00 178.00 179.28 2c3u h GLU 211 N 0.00 0.00 -0.27 0.86 4.57 -1.99 -3.35 114.58 114.40 2c3u h GLU 211 Ca 0.00 0.00 -0.27 0.00 -1.18 0.00 0.00 59.36 57.91 2c3u h GLU 211 Cb 0.17 0.00 -0.18 0.00 -0.16 0.00 0.00 28.75 28.58 2c3u h GLU 211 CO 0.00 0.11 -0.57 -2.39 -1.18 0.00 0.00 179.01 174.98 2c3u n HIS 212 N -3.24 -2.89 -1.21 0.92 1.44 -0.20 -5.16 115.22 104.89 2c3u n HIS 212 Ca 0.01 -2.04 -0.30 0.00 -2.01 0.00 0.00 57.72 53.37 2c3u n HIS 212 Cb 0.39 1.32 0.12 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 0.38 1.75 0.27 -1.40 0.04 -0.79 -4.53 135.00 130.71 2c3u s PRO 213 Ca 0.31 1.03 -0.16 0.00 0.04 0.00 0.00 61.00 62.23 2c3u s PRO 213 Cb 0.23 -1.85 0.01 0.00 0.04 0.00 0.00 34.50 32.93 2c3u s PRO 213 CO -0.21 -1.96 0.58 -3.38 0.04 0.00 0.00 177.00 172.07 2c3u s HIS 214 N -2.90 0.17 -0.03 0.56 -3.43 -1.26 -5.05 115.29 103.35 2c3u s HIS 214 Ca 0.62 -0.58 0.06 0.00 -0.80 0.00 0.00 55.06 54.37 2c3u s HIS 214 Cb -0.18 0.40 -0.02 0.00 -1.43 0.00 0.00 32.58 31.35 2c3u s HIS 214 CO 0.57 -1.11 -0.21 0.54 -2.00 0.00 0.00 174.74 172.53 2c3u s VAL 215 N -3.88 2.52 0.13 -5.38 0.11 -1.26 -5.01 120.40 107.63 2c3u s VAL 215 Ca 0.18 -0.96 0.06 0.00 -2.93 0.00 0.00 61.98 58.33 2c3u s VAL 215 Cb -0.03 -1.94 -0.04 0.00 -1.53 0.00 0.00 36.38 32.84 2c3u s VAL 215 CO 0.09 0.56 -0.14 0.00 -3.33 0.00 0.00 175.10 172.29 2c3u s ARG 216 N -0.73 1.06 -0.38 1.54 1.70 -1.26 -4.86 118.95 116.02 2c3u s ARG 216 Ca 0.11 -1.30 -0.01 0.00 -0.47 0.00 0.00 55.73 54.06 2c3u s ARG 216 Cb -0.10 -0.89 -0.01 0.00 -0.57 0.00 0.00 34.95 33.37 2c3u s ARG 216 CO 0.00 0.16 0.33 0.41 -1.08 0.00 0.00 175.30 175.12 2c3u n GLY 217 N 0.35 0.19 3.92 3.88 0.00 -1.26 -5.05 105.19 107.23 2c3u n GLY 217 Ca -0.14 -0.14 -0.28 0.00 0.00 0.00 0.00 46.02 45.47 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 -3.13 2.11 -0.14 2.61 -4.23 -1.26 -5.07 115.64 106.53 2c3u s THR 218 Ca 0.08 -0.14 -0.03 0.00 -1.18 0.00 0.00 61.69 60.42 2c3u s THR 218 Cb -0.01 -2.97 -0.03 0.00 1.34 0.00 0.00 72.50 70.83 2c3u s THR 218 CO 0.25 0.00 -0.04 0.00 -0.54 0.00 0.00 174.62 174.29 2c3u s ALA 219 N -3.49 3.00 0.02 3.99 0.00 -1.26 -5.11 121.76 118.91 2c3u s ALA 219 Ca 0.64 -0.83 0.07 0.00 0.00 0.00 0.00 51.96 51.84 2c3u s ALA 219 Cb -0.09 -1.51 -0.02 0.00 0.00 0.00 0.00 23.12 21.50 2c3u s ALA 219 CO 0.48 0.27 -0.20 -0.65 0.00 0.00 0.00 175.76 175.66 2c3u s GLN 220 N 0.17 1.48 0.87 0.00 -0.21 -1.26 -5.13 119.66 115.59 2c3u s GLN 220 Ca -0.02 -0.85 -0.10 0.00 0.02 0.00 0.00 55.36 54.42 2c3u s GLN 220 Cb -0.14 -1.53 0.18 0.00 1.00 0.00 0.00 33.01 32.52 2c3u s GLN 220 CO 0.03 0.40 1.20 -0.80 -2.12 0.00 0.00 175.29 174.00 2c3u s ASN 221 N -0.88 3.55 0.57 5.90 0.02 -1.26 -4.78 114.94 118.06 2c3u s ASN 221 Ca 0.07 -0.01 0.28 0.00 -1.02 0.00 0.00 52.86 52.19 2c3u s ASN 221 Cb -0.08 -0.14 1.68 0.00 0.02 0.00 0.00 41.25 42.72 2c3u s ASN 221 CO 0.01 -2.42 2.20 -0.65 0.02 0.00 0.00 177.10 176.25 2c3u h PRO 222 N -1.22 0.00 -0.49 -0.60 0.11 -2.01 -2.28 132.00 125.51 2c3u h PRO 222 Ca -0.41 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.68 2c3u h PRO 222 Cb 1.24 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.33 2c3u h PRO 222 CO 0.38 0.04 0.20 0.38 -0.21 0.00 0.00 178.00 178.79 2c3u h ASP 223 N 0.00 0.63 0.00 -2.05 2.03 -2.05 -3.37 116.42 111.60 2c3u h ASP 223 Ca -0.00 -0.07 0.00 0.00 -0.73 0.00 0.00 57.03 56.23 2c3u h ASP 223 Cb 0.09 -0.16 0.00 0.00 -0.83 0.00 0.00 39.33 38.43 2c3u h ASP 223 CO 0.00 0.57 -0.17 2.30 -1.03 0.00 0.00 179.24 180.91 2c3u n ILE 224 N -4.36 0.00 -0.08 4.15 -5.35 -1.13 -4.86 119.36 107.73 2c3u n ILE 224 Ca 0.04 -0.23 -0.07 0.00 -0.27 0.00 0.00 62.75 62.22 2c3u n ILE 224 Cb 0.15 0.82 -0.00 0.00 -1.74 0.00 0.00 39.64 38.86 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 -0.57 -0.33 4.28 3.20 -1.58 -1.88 116.97 120.09 2c3u h TYR 225 Ca 0.00 0.04 0.06 0.00 3.14 0.00 0.00 58.73 61.98 2c3u h TYR 225 Cb 0.00 0.30 -0.06 0.00 1.54 0.00 0.00 36.73 38.51 2c3u h TYR 225 CO 0.00 -0.30 -0.05 0.35 -1.64 0.00 0.00 178.16 176.52 2c3u h PHE 226 N -0.18 -0.12 -0.80 -3.82 -0.00 -1.85 -0.81 116.94 109.35 2c3u h PHE 226 Ca 0.17 0.03 0.04 0.00 -0.00 0.00 0.00 57.97 58.20 2c3u h PHE 226 Cb 0.44 0.10 -0.05 0.00 -0.00 0.00 0.00 35.95 36.44 2c3u h PHE 226 CO -0.41 -0.11 0.51 1.96 -0.00 0.00 0.00 178.31 180.25 2c3u h GLN 227 N 0.03 0.94 -0.29 1.11 7.50 -1.83 -2.00 115.11 120.58 2c3u h GLN 227 Ca 0.16 -0.06 -0.04 0.00 0.50 0.00 0.00 58.65 59.22 2c3u h GLN 227 Cb 0.24 -0.21 -0.02 0.00 0.05 0.00 0.00 27.48 27.54 2c3u h GLN 227 CO -0.32 0.62 0.02 0.78 -1.50 0.00 0.00 178.83 178.44 2c3u h GLY 228 N 0.97 0.47 1.85 3.46 0.00 -0.43 -2.01 103.07 107.38 2c3u h GLY 228 Ca 0.33 -0.25 -0.14 0.00 0.00 0.00 0.00 47.33 47.27 2c3u h GLY 228 CO -0.13 0.24 -0.59 -0.09 0.00 0.00 0.00 176.54 175.97 2c3u h ARG 229 N 0.43 0.16 0.00 4.80 9.65 -0.47 -3.14 114.38 125.80 2c3u h ARG 229 Ca 0.10 -0.11 0.00 0.00 -1.10 0.00 0.00 59.98 58.87 2c3u h ARG 229 Cb 0.25 0.01 0.00 0.00 -1.39 0.00 0.00 29.97 28.85 2c3u h ARG 229 CO 0.00 0.70 -0.31 0.93 2.80 0.00 0.00 179.97 184.09 2c3u h GLU 230 N 0.12 0.00 -0.04 0.20 4.39 -0.94 -3.36 114.58 114.95 2c3u h GLU 230 Ca -0.00 0.00 0.01 0.00 0.34 0.00 0.00 59.36 59.71 2c3u h GLU 230 Cb 1.07 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.72 2c3u h GLU 230 CO 0.09 0.00 0.05 0.00 -1.16 0.00 0.00 179.01 177.99 2c3u h ALA 231 N 2.44 1.55 0.00 3.43 0.00 -1.33 -2.23 119.26 123.13 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 -0.07 0.00 0.00 0.00 0.00 0.00 179.25 179.18 2c3u n ALA 232 N -2.30 2.36 -0.27 0.00 0.00 -1.26 -4.31 120.51 114.73 2c3u n ALA 232 Ca -0.02 -0.11 0.06 0.00 0.00 0.00 0.00 53.44 53.37 2c3u n ALA 232 Cb 0.14 -1.47 0.18 0.00 0.00 0.00 0.00 19.45 18.30 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 0.00 -0.37 -0.74 0.00 -0.26 -1.68 -0.26 115.58 112.27 2c3u h ASN 233 Ca 0.00 0.21 0.17 0.00 -0.56 0.00 0.00 56.30 56.12 2c3u h ASN 233 Cb 0.40 0.37 -0.04 0.00 -1.06 0.00 0.00 38.32 37.99 2c3u h ASN 233 CO 0.00 -0.20 0.50 -0.65 -1.06 0.00 0.00 177.43 176.02 2c3u h PRO 234 N 0.09 0.28 -0.04 0.81 0.11 -1.85 -0.38 132.00 131.02 2c3u h PRO 234 Ca 0.44 -0.02 -0.02 0.00 0.11 0.00 0.00 66.00 66.51 2c3u h PRO 234 Cb 0.79 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 31.84 2c3u h PRO 234 CO -0.71 0.18 -0.07 1.88 -0.21 0.00 0.00 178.00 179.07 2c3u h TYR 235 N 0.28 0.14 -0.42 0.65 0.05 -1.36 -2.95 116.97 113.36 2c3u h TYR 235 Ca 0.36 -0.05 -0.01 0.00 0.05 0.00 0.00 58.73 59.08 2c3u h TYR 235 Cb 1.00 -0.03 -0.02 0.00 1.01 0.00 0.00 36.73 38.70 2c3u h TYR 235 CO -0.00 0.67 0.22 1.88 -1.05 0.00 0.00 178.16 179.87 2c3u h TYR 236 N -0.42 0.57 -0.08 4.88 -1.99 -1.26 -1.86 116.97 116.81 2c3u h TYR 236 Ca 0.00 -0.01 -0.04 0.00 2.00 0.00 0.00 58.73 60.68 2c3u h TYR 236 Cb 0.66 -0.18 -0.01 0.00 2.00 0.00 0.00 36.73 39.20 2c3u h TYR 236 CO 0.12 0.41 -0.14 -0.07 -0.00 0.00 0.00 178.16 178.48 2c3u h LEU 237 N 0.59 0.12 0.00 3.88 3.38 -1.06 -2.99 115.31 119.23 2c3u h LEU 237 Ca 0.15 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.10 2c3u h LEU 237 Cb 0.04 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 40.76 2c3u h LEU 237 CO -0.02 0.28 -0.68 0.11 0.09 0.00 0.00 178.44 178.22 2c3u h LYS 238 N 0.13 0.00 -0.97 1.13 1.57 -1.17 -3.39 116.57 113.86 2c3u h LYS 238 Ca 0.03 0.00 0.01 0.00 -1.87 0.00 0.00 60.65 58.82 2c3u h LYS 238 Cb 0.33 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 32.59 2c3u h LYS 238 CO 0.02 0.00 0.64 -0.24 -0.57 0.00 0.00 179.45 179.30 2c3u h VAL 239 N 0.00 1.25 -0.38 0.50 3.04 -1.32 -2.31 116.25 117.03 2c3u h VAL 239 Ca 0.00 -0.45 0.05 0.00 -1.01 0.00 0.00 66.70 65.29 2c3u h VAL 239 Cb 0.87 -0.18 -0.05 0.00 -2.01 0.00 0.00 31.29 29.92 2c3u h VAL 239 CO 0.00 0.24 0.09 -0.65 -1.01 0.00 0.00 177.57 176.24 2c3u h PRO 240 N 1.32 0.22 -0.24 4.17 0.11 -1.76 0.19 132.00 136.01 2c3u h PRO 240 Ca 0.36 -0.01 -0.06 0.00 0.11 0.00 0.00 66.00 66.39 2c3u h PRO 240 Cb -0.15 -0.05 -0.01 0.00 0.11 0.00 0.00 31.00 30.89 2c3u h PRO 240 CO -0.08 0.15 -0.11 0.78 -0.21 0.00 0.00 178.00 178.53 2c3u h GLY 241 N 0.23 0.42 0.85 -0.55 0.00 -1.78 -1.29 103.07 100.95 2c3u h GLY 241 Ca 0.18 -0.27 -0.02 0.00 0.00 0.00 0.00 47.33 47.22 2c3u h GLY 241 CO -0.22 0.25 0.05 -2.22 0.00 0.00 0.00 176.54 174.40 2c3u h ILE 242 N 0.37 1.20 -0.31 2.60 1.08 -0.73 -0.46 117.51 121.27 2c3u h ILE 242 Ca 0.07 -0.65 0.00 0.00 -0.39 0.00 0.00 64.86 63.90 2c3u h ILE 242 Cb 0.42 1.28 -0.02 0.00 -3.07 0.00 0.00 36.82 35.43 2c3u h ILE 242 CO 0.02 0.20 0.20 0.58 -0.69 0.00 0.00 178.15 178.47 2c3u h VAL 243 N 0.12 1.08 -0.81 1.67 2.07 -0.69 -0.81 116.25 118.87 2c3u h VAL 243 Ca 0.06 -0.15 0.02 0.00 0.82 0.00 0.00 66.70 67.45 2c3u h VAL 243 Cb 0.27 0.63 -0.04 0.00 -1.52 0.00 0.00 31.29 30.62 2c3u h VAL 243 CO 0.00 0.08 0.52 0.00 0.02 0.00 0.00 177.57 178.19 2c3u h ALA 244 N 1.11 1.04 -0.16 1.67 0.00 -1.12 0.92 119.26 122.72 2c3u h ALA 244 Ca 0.11 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.96 2c3u h ALA 244 Cb -0.05 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.44 2c3u h ALA 244 CO -0.02 0.38 0.04 1.49 0.00 0.00 0.00 179.25 181.13 2c3u h GLU 245 N 1.05 0.26 -0.67 0.00 4.81 -0.71 -2.36 114.58 116.97 2c3u h GLU 245 Ca 0.31 -0.06 -0.04 0.00 -0.13 0.00 0.00 59.36 59.43 2c3u h GLU 245 Cb -0.06 -0.03 -0.03 0.00 0.63 0.00 0.00 28.75 29.26 2c3u h GLU 245 CO -0.09 0.42 0.25 1.88 -0.73 0.00 0.00 179.01 180.73 2c3u h TYR 246 N 0.06 1.01 -0.83 0.92 -1.99 -0.81 0.11 116.97 115.43 2c3u h TYR 246 Ca 0.05 -0.07 0.08 0.00 2.00 0.00 0.00 58.73 60.79 2c3u h TYR 246 Cb 0.27 -0.30 -0.07 0.00 2.00 0.00 0.00 36.73 38.63 2c3u h TYR 246 CO 0.01 0.78 0.49 0.52 -0.00 0.00 0.00 178.16 179.96 2c3u h MET 247 N 0.97 0.82 -0.12 4.88 2.86 -0.63 0.67 114.93 124.37 2c3u h MET 247 Ca 0.22 -0.05 -0.13 0.00 -2.06 0.00 0.00 59.70 57.68 2c3u h MET 247 Cb 0.22 -0.18 -0.01 0.00 0.06 0.00 0.00 31.60 31.68 2c3u h MET 247 CO -0.02 0.54 -0.50 1.96 1.06 0.00 0.00 176.91 179.95 2c3u h GLN 248 N 0.84 0.32 -0.18 1.72 4.20 -0.76 -0.59 115.11 120.66 2c3u h GLN 248 Ca 0.39 -0.18 -0.18 0.00 0.06 0.00 0.00 58.65 58.74 2c3u h GLN 248 Cb 0.30 0.01 0.01 0.00 0.30 0.00 0.00 27.48 28.10 2c3u h GLN 248 CO -0.22 0.75 -0.58 0.87 -0.67 0.00 0.00 178.83 178.98 2c3u h LYS 249 N 0.25 0.71 -0.38 1.46 1.57 -0.30 -1.62 116.57 118.27 2c3u h LYS 249 Ca 0.01 -0.52 -0.06 0.00 -1.87 0.00 0.00 60.65 58.21 2c3u h LYS 249 Cb 0.97 0.09 -0.02 0.00 0.08 0.00 0.00 32.23 33.35 2c3u h LYS 249 CO 0.08 1.14 -0.03 0.28 -0.57 0.00 0.00 179.45 180.35 2c3u h VAL 250 N 0.41 1.22 -0.30 0.50 2.07 -0.81 -2.86 116.25 116.49 2c3u h VAL 250 Ca -0.02 -0.92 -0.11 0.00 0.82 0.00 0.00 66.70 66.47 2c3u h VAL 250 Cb 1.20 0.97 -0.01 0.00 -1.52 0.00 0.00 31.29 31.93 2c3u h VAL 250 CO 0.12 0.31 -0.29 0.00 0.02 0.00 0.00 177.57 177.74 2c3u h ALA 251 N 1.40 0.95 0.00 1.67 0.00 -0.91 -1.46 119.26 120.91 2c3u h ALA 251 Ca 0.12 -0.38 -0.00 0.00 0.00 0.00 0.00 54.91 54.64 2c3u h ALA 251 Cb 0.41 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.07 2c3u h ALA 251 CO 0.02 0.61 -0.00 0.66 0.00 0.00 0.00 179.25 180.54 2c3u h SER 252 N 0.52 0.00 0.38 0.00 4.64 -1.06 0.77 113.55 118.80 2c3u h SER 252 Ca 0.07 0.00 -0.31 0.00 -0.47 0.00 0.00 61.79 61.08 2c3u h SER 252 Cb 0.76 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 62.80 2c3u h SER 252 CO 0.06 0.00 -1.85 0.18 -0.87 0.00 0.00 176.83 174.35 2c3u n LEU 253 N -3.09 0.72 -0.00 5.97 4.77 -0.83 -4.57 117.00 119.96 2c3u n LEU 253 Ca -0.01 0.33 0.05 0.00 -0.03 0.00 0.00 56.01 56.35 2c3u n LEU 253 Cb 0.22 0.22 -0.08 0.00 -2.33 0.00 0.00 43.42 41.46 2c3u n LEU 253 CO 0.25 0.42 -0.60 0.35 -1.33 0.00 0.00 177.39 176.48 2c3u n THR 254 N -2.99 0.00 -0.75 -5.08 -2.24 -0.61 -4.96 114.28 97.65 2c3u n THR 254 Ca -0.20 -0.23 0.00 0.00 -2.27 0.00 0.00 64.05 61.35 2c3u n THR 254 Cb 1.07 0.30 0.00 0.00 -2.10 0.00 0.00 70.33 69.60 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 1.91 0.85 3.39 3.38 0.00 0.27 -5.02 105.19 109.98 2c3u n GLY 255 Ca -0.02 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.61 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 -0.25 3.03 -0.06 1.61 0.52 -1.25 -5.03 118.95 117.52 2c3u s ARG 256 Ca 0.00 -0.93 -0.06 0.00 -0.52 0.00 0.00 55.73 54.22 2c3u s ARG 256 Cb 0.00 -3.61 -0.04 0.00 0.52 0.00 0.00 34.95 31.82 2c3u s ARG 256 CO 0.00 -0.56 0.19 -1.12 0.02 0.00 0.00 175.30 173.83 2c3u s SER 257 N 1.56 6.43 0.12 0.23 0.01 -1.26 -4.15 113.70 116.64 2c3u s SER 257 Ca 0.03 0.49 -0.00 0.00 1.31 0.00 0.00 55.95 57.78 2c3u s SER 257 Cb -0.18 -2.07 -0.04 0.00 0.21 0.00 0.00 66.02 63.94 2c3u s SER 257 CO 0.06 0.34 0.01 -0.31 0.41 0.00 0.00 173.24 173.75 2c3u s TYR 258 N -1.15 0.85 0.31 2.43 1.51 -1.26 -5.13 117.35 114.91 2c3u s TYR 258 Ca 0.21 -1.12 0.03 0.00 -1.01 0.00 0.00 57.07 55.18 2c3u s TYR 258 Cb -0.13 -0.50 -0.04 0.00 -0.11 0.00 0.00 41.96 41.18 2c3u s TYR 258 CO 0.10 -0.38 0.13 0.15 -1.11 0.00 0.00 175.55 174.44 2c3u s LYS 259 N -3.97 1.62 0.41 -0.62 1.02 -1.26 -4.75 119.74 112.20 2c3u s LYS 259 Ca 0.18 -1.92 0.07 0.00 0.02 0.00 0.00 55.97 54.32 2c3u s LYS 259 Cb 0.07 -0.29 0.87 0.00 -0.52 0.00 0.00 37.83 37.96 2c3u s LYS 259 CO -0.01 -0.40 2.06 -0.07 -0.92 0.00 0.00 175.35 176.01 2c3u h LEU 260 N 2.17 0.46 -7.47 3.17 4.07 -1.94 -3.41 115.31 112.35 2c3u h LEU 260 Ca -0.35 -0.01 -0.24 0.00 0.08 0.00 0.00 57.88 57.35 2c3u h LEU 260 Cb 1.25 -0.11 -0.31 0.00 1.08 0.00 0.00 40.66 42.57 2c3u h LEU 260 CO 0.56 0.33 -0.61 -0.36 -1.08 0.00 0.00 178.44 177.28 2c3u s PHE 261 N -5.47 -0.13 -0.01 1.13 0.08 -1.26 -1.26 117.98 111.05 2c3u s PHE 261 Ca -0.08 0.41 0.08 0.00 0.12 0.00 0.00 56.93 57.45 2c3u s PHE 261 Cb 0.17 -0.08 -0.02 0.00 -0.57 0.00 0.00 43.02 42.52 2c3u s PHE 261 CO 0.73 -0.14 -0.24 -0.51 -0.10 0.00 0.00 175.22 174.96 2c3u s ASP 262 N 0.98 3.27 -0.03 1.36 1.11 -0.35 -4.79 116.67 118.22 2c3u s ASP 262 Ca -0.08 -0.45 -0.01 0.00 0.18 0.00 0.00 52.55 52.20 2c3u s ASP 262 Cb -0.10 -0.42 -0.04 0.00 1.07 0.00 0.00 42.92 43.43 2c3u s ASP 262 CO -0.05 0.31 0.05 -0.47 1.18 0.00 0.00 175.17 176.19 2c3u s TYR 263 N -0.69 3.23 -0.03 4.23 6.14 -1.26 0.11 117.35 129.08 2c3u s TYR 263 Ca 0.11 0.20 -0.03 0.00 0.64 0.00 0.00 57.07 57.99 2c3u s TYR 263 Cb -0.10 -1.75 0.01 0.00 0.42 0.00 0.00 41.96 40.55 2c3u s TYR 263 CO 0.00 0.52 0.09 0.08 0.64 0.00 0.00 175.55 176.88 2c3u s VAL 264 N -1.08 -0.01 -1.14 3.14 1.01 0.10 -4.97 120.40 117.44 2c3u s VAL 264 Ca 0.19 0.05 0.00 0.00 0.00 0.00 0.00 61.98 62.22 2c3u s VAL 264 Cb -0.12 -0.13 0.00 0.00 0.00 0.00 0.00 36.38 36.13 2c3u s VAL 264 CO 0.09 0.02 0.00 0.61 0.00 0.00 0.00 175.10 175.82 2c3u n GLY 265 N 3.31 0.49 3.69 4.51 0.00 -1.26 0.11 105.19 116.04 2c3u n GLY 265 Ca -0.16 -2.21 -0.42 0.00 0.00 0.00 0.00 46.02 43.23 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 -1.77 3.66 0.14 4.61 0.00 -0.14 -4.86 121.76 123.40 2c3u s ALA 266 Ca 0.00 1.14 0.32 0.00 0.00 0.00 0.00 51.96 53.41 2c3u s ALA 266 Cb 0.00 -3.66 1.68 0.00 0.00 0.00 0.00 23.12 21.14 2c3u s ALA 266 CO 0.00 -1.02 1.97 -1.00 0.00 0.00 0.00 175.76 175.71 2c3u h PRO 267 N 8.04 0.00 -0.20 0.00 0.13 -1.96 -0.39 132.00 137.62 2c3u h PRO 267 Ca -0.41 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 64.67 2c3u h PRO 267 Cb 1.20 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.30 2c3u h PRO 267 CO 0.92 0.00 -0.06 -0.40 -0.23 0.00 0.00 178.00 178.23 2c3u n ASP 268 N -2.64 2.99 -4.62 1.44 5.75 -1.26 -4.76 116.55 113.45 2c3u n ASP 268 Ca -0.02 -3.29 -0.42 0.00 -0.01 0.00 0.00 54.79 51.05 2c3u n ASP 268 Cb 0.08 -0.54 0.01 0.00 -1.03 0.00 0.00 41.12 39.64 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 -0.95 0.35 -0.07 2.12 0.00 -0.16 -4.85 120.51 116.95 2c3u n ALA 269 Ca 0.23 0.26 -0.07 0.00 0.00 0.00 0.00 53.44 53.86 2c3u n ALA 269 Cb 0.85 -2.11 -0.10 0.00 0.00 0.00 0.00 19.45 18.09 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 0.24 1.63 -3.88 0.00 1.02 0.09 -2.69 120.64 117.06 2c3u n GLU 270 Ca 0.09 0.01 -0.35 0.00 -0.02 0.00 0.00 57.16 56.88 2c3u n GLU 270 Cb 0.38 -1.35 -0.14 0.00 -0.02 0.00 0.00 31.44 30.31 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 -2.33 3.44 0.04 3.49 0.52 -1.17 0.70 118.95 123.64 2c3u s ARG 271 Ca -0.09 -0.59 0.06 0.00 -0.52 0.00 0.00 55.73 54.59 2c3u s ARG 271 Cb 0.04 -3.07 -0.02 0.00 0.52 0.00 0.00 34.95 32.42 2c3u s ARG 271 CO 0.54 -0.19 -0.16 0.08 0.02 0.00 0.00 175.30 175.59 2c3u s VAL 272 N 1.50 1.27 0.04 3.52 1.01 -0.12 -2.13 120.40 125.49 2c3u s VAL 272 Ca 0.06 -1.05 0.04 0.00 0.00 0.00 0.00 61.98 61.03 2c3u s VAL 272 Cb -0.14 -1.13 -0.04 0.00 0.00 0.00 0.00 36.38 35.07 2c3u s VAL 272 CO -0.02 0.07 -0.04 -0.63 0.00 0.00 0.00 175.10 174.49 2c3u s ILE 273 N -0.82 3.84 -0.15 2.22 1.01 -0.45 -1.32 121.20 125.54 2c3u s ILE 273 Ca 0.03 -0.86 0.02 0.00 0.00 0.00 0.00 60.65 59.84 2c3u s ILE 273 Cb -0.08 -2.75 0.01 0.00 0.01 0.00 0.00 42.46 39.66 2c3u s ILE 273 CO 0.01 0.27 -0.20 -0.69 0.00 0.00 0.00 174.94 174.33 2c3u s VAL 274 N -1.14 1.98 0.26 2.92 1.01 -0.64 -0.23 120.40 124.56 2c3u s VAL 274 Ca 0.21 -0.92 -0.09 0.00 0.00 0.00 0.00 61.98 61.18 2c3u s VAL 274 Cb -0.11 -1.77 -0.01 0.00 0.00 0.00 0.00 36.38 34.49 2c3u s VAL 274 CO 0.12 0.53 0.43 -0.55 0.00 0.00 0.00 175.10 175.63 2c3u s SER 275 N 0.97 0.15 -0.02 3.32 0.15 -0.87 -1.26 113.70 116.14 2c3u s SER 275 Ca -0.04 -1.12 -0.05 0.00 0.70 0.00 0.00 55.95 55.45 2c3u s SER 275 Cb -0.15 0.57 0.00 0.00 -1.71 0.00 0.00 66.02 64.74 2c3u s SER 275 CO -0.05 -1.14 0.10 -0.32 1.20 0.00 0.00 173.24 173.04 2c3u s MET 276 N -3.82 0.28 0.59 5.44 1.75 -1.26 -1.72 119.30 120.57 2c3u s MET 276 Ca 0.27 -0.15 0.00 0.00 -1.25 0.00 0.00 55.69 54.56 2c3u s MET 276 Cb 0.01 0.12 0.00 0.00 2.84 0.00 0.00 34.83 37.79 2c3u s MET 276 CO 0.12 -0.05 0.00 0.41 -0.65 0.00 0.00 175.02 174.84 2c3u n GLY 277 N 2.27 -1.89 0.36 2.11 0.00 -1.26 -4.35 105.19 102.43 2c3u n GLY 277 Ca -0.18 -1.71 0.18 0.00 0.00 0.00 0.00 46.02 44.32 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 -0.69 1.61 4.64 -1.78 -1.15 113.55 116.17 2c3u h SER 278 Ca 0.00 0.00 0.11 0.00 -0.47 0.00 0.00 61.79 61.43 2c3u h SER 278 Cb 0.00 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 62.04 2c3u h SER 278 CO 0.00 0.00 0.46 0.77 -0.87 0.00 0.00 176.83 177.19 2c3u h SER 279 N 0.00 0.46 -0.65 4.97 4.64 -1.86 -1.84 113.55 119.27 2c3u h SER 279 Ca 0.12 0.01 0.08 0.00 -0.47 0.00 0.00 61.79 61.54 2c3u h SER 279 Cb 0.85 -0.08 -0.04 0.00 -0.31 0.00 0.00 62.40 62.82 2c3u h SER 279 CO -0.00 0.27 0.43 0.00 -0.87 0.00 0.00 176.83 176.66 2c3u h GLU 281 N 0.56 0.10 -0.43 0.00 4.39 -1.53 -1.46 114.58 116.20 2c3u h GLU 281 Ca 0.29 -0.02 -0.10 0.00 0.34 0.00 0.00 59.36 59.88 2c3u h GLU 281 Cb 0.41 -0.02 -0.02 0.00 -0.10 0.00 0.00 28.75 29.03 2c3u h GLU 281 CO -0.09 0.23 -0.12 1.15 -1.16 0.00 0.00 179.01 179.02 2c3u h THR 282 N -0.05 1.26 -0.36 1.13 2.02 -1.27 -1.94 112.91 113.70 2c3u h THR 282 Ca 0.02 -1.20 -0.03 0.00 0.77 0.00 0.00 66.41 65.98 2c3u h THR 282 Cb 0.17 1.06 -0.02 0.00 -1.74 0.00 0.00 68.15 67.63 2c3u h THR 282 CO -0.00 0.41 0.11 0.40 0.37 0.00 0.00 175.52 176.81 2c3u h ILE 283 N 0.71 1.21 -0.44 3.11 2.04 -1.12 -1.89 117.51 121.13 2c3u h ILE 283 Ca 0.12 -0.69 -0.03 0.00 1.00 0.00 0.00 64.86 65.25 2c3u h ILE 283 Cb 0.61 0.98 -0.02 0.00 -0.74 0.00 0.00 36.82 37.65 2c3u h ILE 283 CO 0.04 0.24 0.13 -0.08 0.00 0.00 0.00 178.15 178.48 2c3u h GLU 284 N 0.44 0.64 -0.59 2.37 4.81 -1.09 0.80 114.58 121.96 2c3u h GLU 284 Ca 0.12 -0.11 -0.03 0.00 -0.13 0.00 0.00 59.36 59.21 2c3u h GLU 284 Cb 0.26 -0.11 -0.03 0.00 0.63 0.00 0.00 28.75 29.50 2c3u h GLU 284 CO -0.00 0.57 0.24 1.49 -0.73 0.00 0.00 179.01 180.57 2c3u h GLU 285 N 0.63 0.89 -0.41 1.92 4.81 -1.01 -1.61 114.58 119.79 2c3u h GLU 285 Ca 0.15 -0.16 -0.12 0.00 -0.13 0.00 0.00 59.36 59.10 2c3u h GLU 285 Cb 0.20 -0.14 -0.01 0.00 0.63 0.00 0.00 28.75 29.43 2c3u h GLU 285 CO -0.01 0.76 -0.22 0.28 -0.73 0.00 0.00 179.01 179.09 2c3u h VAL 286 N 0.82 1.28 -0.20 0.32 2.07 -0.64 -2.82 116.25 117.07 2c3u h VAL 286 Ca 0.20 -1.37 0.04 0.00 0.82 0.00 0.00 66.70 66.40 2c3u h VAL 286 Cb 0.20 1.27 -0.04 0.00 -1.52 0.00 0.00 31.29 31.20 2c3u h VAL 286 CO -0.02 0.46 -0.08 0.40 0.02 0.00 0.00 177.57 178.35 2c3u h ILE 287 N 0.69 0.73 -0.89 4.57 2.04 -0.57 0.66 117.51 124.73 2c3u h ILE 287 Ca 0.09 0.00 0.08 0.00 1.00 0.00 0.00 64.86 66.03 2c3u h ILE 287 Cb 0.78 0.73 -0.07 0.00 -0.74 0.00 0.00 36.82 37.52 2c3u h ILE 287 CO 0.06 0.00 0.54 0.78 0.00 0.00 0.00 178.15 179.54 2c3u h ASN 288 N -0.05 0.82 -0.47 1.72 -0.26 -1.24 0.27 115.58 116.37 2c3u h ASN 288 Ca 0.11 0.03 -0.09 0.00 -0.56 0.00 0.00 56.30 55.79 2c3u h ASN 288 Cb 0.21 -0.13 -0.02 0.00 -1.06 0.00 0.00 38.32 37.32 2c3u h ASN 288 CO -0.24 0.49 -0.07 -0.74 -1.06 0.00 0.00 177.43 175.82 2c3u h HIS 289 N 0.94 0.98 0.05 1.19 2.76 -1.05 -2.63 115.15 117.38 2c3u h HIS 289 Ca 0.41 -0.19 -0.23 0.00 -2.20 0.00 0.00 60.37 58.16 2c3u h HIS 289 Cb 0.30 -0.25 -0.02 0.00 1.55 0.00 0.00 27.41 29.00 2c3u h HIS 289 CO -0.03 0.95 -1.07 -0.07 -1.30 0.00 0.00 177.93 176.40 2c3u h LEU 290 N 0.73 0.18 -0.82 0.26 4.07 -0.42 -3.25 115.31 116.06 2c3u h LEU 290 Ca 0.13 -0.19 -0.06 0.00 0.08 0.00 0.00 57.88 57.83 2c3u h LEU 290 Cb 0.60 -0.06 -0.03 0.00 1.08 0.00 0.00 40.66 42.25 2c3u h LEU 290 CO 0.04 1.12 0.15 0.00 -1.08 0.00 0.00 178.44 178.67 2c3u h ALA 291 N 0.85 1.04 -0.36 1.53 0.00 -0.48 -0.50 119.26 121.34 2c3u h ALA 291 Ca -0.06 -0.24 0.10 0.00 0.00 0.00 0.00 54.91 54.72 2c3u h ALA 291 Cb 1.80 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 19.33 2c3u h ALA 291 CO 0.16 0.63 0.31 0.00 0.00 0.00 0.00 179.25 180.35 2c3u h ALA 292 N 1.18 2.17 -0.54 0.00 0.00 -1.50 0.39 119.26 120.95 2c3u h ALA 292 Ca 0.21 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.10 2c3u h ALA 292 Cb 0.36 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.18 2c3u h ALA 292 CO 0.00 -0.50 0.00 1.63 0.00 0.00 0.00 179.25 180.38 2c3u n LYS 293 N -4.07 2.78 0.00 0.00 5.02 -0.23 -4.95 118.16 116.72 2c3u n LYS 293 Ca 0.06 -2.17 0.00 0.00 -2.02 0.00 0.00 58.31 54.18 2c3u n LYS 293 Cb 0.49 -1.62 0.00 0.00 -0.02 0.00 0.00 35.03 33.88 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 1.17 1.64 3.74 0.72 0.00 0.14 -5.04 105.19 107.56 2c3u n GLY 294 Ca 0.20 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.80 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 -0.57 4.15 -1.14 1.61 2.02 -0.97 -4.91 118.70 118.90 2c3u s GLU 295 Ca 0.00 2.52 -0.14 0.00 0.02 0.00 0.00 54.97 57.37 2c3u s GLU 295 Cb 0.00 -3.06 0.18 0.00 0.10 0.00 0.00 34.13 31.36 2c3u s GLU 295 CO 0.00 -0.61 1.31 0.15 0.02 0.00 0.00 175.26 176.13 2c3u s LYS 296 N -0.06 4.02 0.17 1.61 -0.14 -1.26 -4.31 119.74 119.76 2c3u s LYS 296 Ca 0.65 -2.57 0.02 0.00 -1.36 0.00 0.00 55.97 52.72 2c3u s LYS 296 Cb -0.47 -4.93 -0.05 0.00 -1.68 0.00 0.00 37.83 30.70 2c3u s LYS 296 CO 0.43 -1.66 -0.02 0.96 -0.76 0.00 0.00 175.35 174.29 2c3u s ILE 297 N 1.21 0.81 0.37 2.17 -4.36 -1.26 -0.73 121.20 119.42 2c3u s ILE 297 Ca 0.38 -1.99 -0.14 0.00 -0.26 0.00 0.00 60.65 58.64 2c3u s ILE 297 Cb -0.05 -2.05 0.05 0.00 1.25 0.00 0.00 42.46 41.66 2c3u s ILE 297 CO -0.03 -0.55 0.74 -0.83 0.24 0.00 0.00 174.94 174.51 2c3u s GLY 298 N -3.17 0.50 -0.04 6.27 0.00 -0.91 -0.96 107.32 109.01 2c3u s GLY 298 Ca 0.22 -0.84 -0.03 0.00 0.00 0.00 0.00 44.72 44.07 2c3u s GLY 298 CO 0.03 -0.40 0.11 -2.27 0.00 0.00 0.00 173.10 170.57 2c3u s LEU 299 N -3.08 1.33 -0.30 0.66 2.96 0.31 -1.34 118.68 119.22 2c3u s LEU 299 Ca 0.17 0.22 -0.07 0.00 -0.22 0.00 0.00 54.13 54.23 2c3u s LEU 299 Cb -0.04 0.33 0.01 0.00 0.50 0.00 0.00 46.19 46.98 2c3u s LEU 299 CO 0.12 -0.07 0.09 -0.63 -1.32 0.00 0.00 176.35 174.54 2c3u s ILE 300 N 0.42 4.01 -0.16 6.68 1.01 0.68 0.01 121.20 133.85 2c3u s ILE 300 Ca -0.03 -0.68 -0.18 0.00 0.00 0.00 0.00 60.65 59.76 2c3u s ILE 300 Cb -0.04 -3.07 -0.04 0.00 0.01 0.00 0.00 42.46 39.32 2c3u s ILE 300 CO -0.02 0.07 0.48 -0.54 0.00 0.00 0.00 174.94 174.93 2c3u s LYS 301 N 1.51 4.26 -0.18 2.79 1.02 0.12 -2.05 119.74 127.20 2c3u s LYS 301 Ca 0.03 0.39 -0.13 0.00 0.02 0.00 0.00 55.97 56.28 2c3u s LYS 301 Cb -0.17 -3.50 -0.05 0.00 -0.52 0.00 0.00 37.83 33.59 2c3u s LYS 301 CO 0.03 0.01 0.25 0.14 -0.92 0.00 0.00 175.35 174.86 2c3u s VAL 302 N 1.11 5.33 -0.17 3.17 -7.23 -0.70 -1.21 120.40 120.70 2c3u s VAL 302 Ca 0.24 0.43 -0.16 0.00 -1.81 0.00 0.00 61.98 60.68 2c3u s VAL 302 Cb -0.15 -3.59 -0.06 0.00 0.56 0.00 0.00 36.38 33.14 2c3u s VAL 302 CO 0.09 0.39 -0.32 0.54 -0.31 0.00 0.00 175.10 175.49 2c3u n ARG 303 N 3.71 0.50 -3.13 4.82 3.00 -0.39 -4.62 116.66 120.55 2c3u n ARG 303 Ca -0.13 0.20 -0.44 0.00 -0.01 0.00 0.00 57.85 57.47 2c3u n ARG 303 Cb 0.52 -1.36 -0.06 0.00 0.00 0.00 0.00 32.46 31.56 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 -7.76 4.94 0.02 0.55 2.96 -1.04 -0.24 118.68 118.10 2c3u s LEU 304 Ca -0.28 -0.92 -0.10 0.00 -0.22 0.00 0.00 54.13 52.60 2c3u s LEU 304 Cb 0.05 -2.46 -0.32 0.00 0.50 0.00 0.00 46.19 43.97 2c3u s LEU 304 CO 0.40 -0.94 0.93 0.22 -1.32 0.00 0.00 176.35 175.64 2c3u h TYR 305 N 9.04 0.73 -3.42 5.38 3.20 -1.34 -3.44 116.97 127.12 2c3u h TYR 305 Ca -0.28 -0.53 -0.38 0.00 3.14 0.00 0.00 58.73 60.68 2c3u h TYR 305 Cb 1.09 -0.03 -0.35 0.00 1.54 0.00 0.00 36.73 38.98 2c3u h TYR 305 CO 0.77 1.50 -0.76 1.03 -1.64 0.00 0.00 178.16 179.07 2c3u s ARG 306 N -2.61 0.45 0.43 1.82 1.81 -1.18 -3.16 118.95 116.50 2c3u s ARG 306 Ca -0.10 0.07 -0.25 0.00 -1.72 0.00 0.00 55.73 53.73 2c3u s ARG 306 Cb 0.05 -0.66 -0.08 0.00 -0.45 0.00 0.00 34.95 33.81 2c3u s ARG 306 CO 0.90 -0.17 1.23 -2.14 -0.68 0.00 0.00 175.30 174.43 2c3u s PRO 307 N 1.29 3.89 -0.40 3.54 0.02 -1.26 -0.21 135.00 141.87 2c3u s PRO 307 Ca -0.06 1.97 -0.23 0.00 0.02 0.00 0.00 61.00 62.70 2c3u s PRO 307 Cb -0.13 -2.62 0.02 0.00 0.02 0.00 0.00 34.50 31.78 2c3u s PRO 307 CO -0.02 -0.50 0.80 0.12 -0.33 0.00 0.00 177.00 177.07 2c3u s PHE 308 N -1.38 3.06 -0.53 6.54 5.36 -1.19 -4.94 117.98 124.90 2c3u s PHE 308 Ca 0.59 0.42 -0.15 0.00 -0.96 0.00 0.00 56.93 56.83 2c3u s PHE 308 Cb -0.34 -3.53 0.13 0.00 -0.34 0.00 0.00 43.02 38.94 2c3u s PHE 308 CO 0.42 -0.84 0.48 0.08 -1.46 0.00 0.00 175.22 173.90 2c3u s VAL 309 N 3.21 5.11 0.26 3.12 1.01 -1.26 -4.94 120.40 126.91 2c3u s VAL 309 Ca 0.31 -1.51 -0.01 0.00 0.00 0.00 0.00 61.98 60.77 2c3u s VAL 309 Cb -0.13 -4.27 0.24 0.00 0.00 0.00 0.00 36.38 32.23 2c3u s VAL 309 CO 0.19 -0.85 1.76 0.28 0.00 0.00 0.00 175.10 176.48 2c3u h SER 310 N 8.84 0.50 -0.84 3.32 0.02 -1.98 -1.61 113.55 121.80 2c3u h SER 310 Ca -0.29 0.10 0.07 0.00 -0.84 0.00 0.00 61.79 60.82 2c3u h SER 310 Cb 1.10 0.02 -0.06 0.00 0.14 0.00 0.00 62.40 63.60 2c3u h SER 310 CO 1.02 0.20 0.52 -0.08 -1.14 0.00 0.00 176.83 177.34 2c3u h GLU 311 N 0.60 0.90 0.00 3.45 4.81 -1.99 0.36 114.58 122.70 2c3u h GLU 311 Ca 0.47 -0.05 -0.13 0.00 -0.13 0.00 0.00 59.36 59.52 2c3u h GLU 311 Cb 0.68 -0.20 -0.02 0.00 0.63 0.00 0.00 28.75 29.84 2c3u h GLU 311 CO -0.38 0.60 -0.61 0.00 -0.73 0.00 0.00 179.01 177.89 2c3u h ALA 312 N 1.41 0.87 0.35 2.92 0.00 -1.75 -2.22 119.26 120.83 2c3u h ALA 312 Ca 0.38 -0.56 -0.02 0.00 0.00 0.00 0.00 54.91 54.71 2c3u h ALA 312 Cb 0.21 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.90 2c3u h ALA 312 CO -0.19 0.77 -0.17 0.35 0.00 0.00 0.00 179.25 180.01 2c3u h PHE 313 N 0.00 -0.43 0.00 0.00 3.57 -0.42 -3.01 116.94 116.65 2c3u h PHE 313 Ca -0.01 -0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.47 2c3u h PHE 313 Cb 1.17 0.14 -0.00 0.00 2.79 0.00 0.00 35.95 40.05 2c3u h PHE 313 CO 0.00 -0.14 -0.06 0.74 -2.23 0.00 0.00 178.31 176.62 2c3u h PHE 314 N -0.71 0.00 0.00 0.41 -1.00 -0.96 -0.10 116.94 114.57 2c3u h PHE 314 Ca -0.05 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.73 2c3u h PHE 314 Cb 0.49 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.05 2c3u h PHE 314 CO 0.00 0.06 0.00 0.00 -1.61 0.00 0.00 178.31 176.77 2c3u h ALA 315 N 1.94 1.00 -0.02 2.45 0.00 -1.26 -2.12 119.26 121.25 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 0.14 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.93 2c3u h ALA 315 CO 0.01 0.00 -0.32 0.00 0.00 0.00 0.00 179.25 178.94 2c3u n ALA 316 N -1.92 3.17 -2.62 0.00 0.00 -0.06 -4.93 120.51 114.15 2c3u n ALA 316 Ca 0.01 -0.61 -0.39 0.00 0.00 0.00 0.00 53.44 52.45 2c3u n ALA 316 Cb 0.22 -0.68 -0.09 0.00 0.00 0.00 0.00 19.45 18.90 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 -2.14 4.07 0.32 0.00 1.98 -0.80 -4.58 118.68 117.53 2c3u s LEU 317 Ca 0.18 0.36 -0.29 0.00 -2.89 0.00 0.00 54.13 51.48 2c3u s LEU 317 Cb 0.16 -2.46 -0.11 0.00 0.66 0.00 0.00 46.19 44.44 2c3u s LEU 317 CO 0.44 -0.16 1.55 -2.84 -1.89 0.00 0.00 176.35 173.44 2c3u s PRO 318 N 1.91 4.12 0.57 0.98 0.02 -1.26 -4.87 135.00 136.46 2c3u s PRO 318 Ca 0.16 2.57 0.35 0.00 0.02 0.00 0.00 61.00 64.10 2c3u s PRO 318 Cb -0.15 -3.00 1.60 0.00 0.02 0.00 0.00 34.50 32.96 2c3u s PRO 318 CO 0.09 -0.59 2.08 0.00 -0.33 0.00 0.00 177.00 178.25 2c3u h ALA 319 N 4.13 1.05 0.00 -1.55 0.00 -1.91 -2.20 119.26 118.78 2c3u h ALA 319 Ca -0.48 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.39 2c3u h ALA 319 Cb 1.23 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.01 2c3u h ALA 319 CO 0.73 0.05 0.00 -1.13 0.00 0.00 0.00 179.25 178.90 2c3u n SER 320 N -3.20 0.00 -4.67 0.00 3.41 -1.26 -4.86 113.62 103.03 2c3u n SER 320 Ca -0.01 -0.02 -0.42 0.00 -0.26 0.00 0.00 58.87 58.16 2c3u n SER 320 Cb 0.25 -0.33 -0.03 0.00 -0.26 0.00 0.00 64.21 63.84 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 -2.65 3.62 -0.10 7.33 0.00 -0.83 -4.27 121.76 124.86 2c3u s ALA 321 Ca 0.25 1.32 0.12 0.00 0.00 0.00 0.00 51.96 53.65 2c3u s ALA 321 Cb 0.20 -3.82 -0.17 0.00 0.00 0.00 0.00 23.12 19.32 2c3u s ALA 321 CO 0.47 -1.49 0.29 1.63 0.00 0.00 0.00 175.76 176.66 2c3u n LYS 322 N 7.14 0.83 -3.72 0.00 5.02 0.22 -4.77 118.16 122.88 2c3u n LYS 322 Ca 0.19 -0.09 -0.12 0.00 -2.02 0.00 0.00 58.31 56.27 2c3u n LYS 322 Cb 0.41 -1.24 -0.13 0.00 -0.02 0.00 0.00 35.03 34.05 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 -2.69 -0.04 -0.02 -0.18 1.01 -0.64 -4.21 120.40 113.62 2c3u s VAL 323 Ca -0.03 0.14 0.02 0.00 0.00 0.00 0.00 61.98 62.11 2c3u s VAL 323 Cb 0.08 -0.41 0.00 0.00 0.00 0.00 0.00 36.38 36.05 2c3u s VAL 323 CO 0.48 0.06 -0.08 0.27 0.00 0.00 0.00 175.10 175.83 2c3u s ILE 324 N 1.27 0.67 -0.07 2.22 -5.25 -0.74 -0.94 121.20 118.36 2c3u s ILE 324 Ca -0.09 -0.29 0.05 0.00 -0.99 0.00 0.00 60.65 59.33 2c3u s ILE 324 Cb -0.10 -0.60 -0.01 0.00 2.95 0.00 0.00 42.46 44.70 2c3u s ILE 324 CO -0.09 0.22 -0.24 0.28 -1.79 0.00 0.00 174.94 173.32 2c3u s THR 325 N 0.24 2.00 -0.24 8.37 -1.32 -0.43 -1.14 115.64 123.12 2c3u s THR 325 Ca -0.03 -1.02 -0.13 0.00 -1.21 0.00 0.00 61.69 59.29 2c3u s THR 325 Cb -0.08 -1.71 -0.04 0.00 -1.51 0.00 0.00 72.50 69.16 2c3u s THR 325 CO 0.00 0.55 0.26 -0.69 -2.21 0.00 0.00 174.62 172.54 2c3u s VAL 326 N -0.01 5.28 -0.21 5.08 1.01 0.82 -1.61 120.40 130.75 2c3u s VAL 326 Ca -0.08 0.38 -0.14 0.00 0.00 0.00 0.00 61.98 62.15 2c3u s VAL 326 Cb -0.15 -3.60 -0.04 0.00 0.00 0.00 0.00 36.38 32.59 2c3u s VAL 326 CO 0.05 0.27 0.33 -0.76 0.00 0.00 0.00 175.10 174.99 2c3u s LEU 327 N 1.40 4.14 -0.11 3.92 1.02 -0.39 -1.23 118.68 127.44 2c3u s LEU 327 Ca 0.12 0.39 0.01 0.00 0.02 0.00 0.00 54.13 54.67 2c3u s LEU 327 Cb -0.15 -2.40 -0.02 0.00 0.02 0.00 0.00 46.19 43.65 2c3u s LEU 327 CO 0.07 -0.04 -0.14 -1.81 0.02 0.00 0.00 176.35 174.45 2c3u s ASP 328 N 1.06 3.95 -0.96 2.29 1.01 0.10 -4.60 116.67 119.52 2c3u s ASP 328 Ca 0.16 -0.31 -0.02 0.00 0.71 0.00 0.00 52.55 53.09 2c3u s ASP 328 Cb -0.14 -1.38 0.32 0.00 1.01 0.00 0.00 42.92 42.72 2c3u s ASP 328 CO 0.07 0.22 1.95 -1.14 0.21 0.00 0.00 175.17 176.47 2c3u n ARG 329 N 3.19 4.32 -3.87 8.23 0.63 -1.26 -2.57 116.66 125.32 2c3u n ARG 329 Ca -0.18 -4.13 -0.05 0.00 -0.92 0.00 0.00 57.85 52.57 2c3u n ARG 329 Cb 0.53 -2.39 0.02 0.00 0.45 0.00 0.00 32.46 31.07 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 -4.47 0.00 -0.18 5.15 -1.32 -1.26 -0.75 115.64 112.81 2c3u s THR 330 Ca 0.45 -0.71 -0.04 0.00 -1.21 0.00 0.00 61.69 60.18 2c3u s THR 330 Cb 0.29 -2.99 0.08 0.00 -1.51 0.00 0.00 72.50 68.37 2c3u s THR 330 CO -0.24 0.00 0.23 -0.75 -2.21 0.00 0.00 174.62 171.64 2c3u s LYS 331 N -2.08 0.17 -0.66 7.08 2.20 -1.26 -4.84 119.74 120.35 2c3u s LYS 331 Ca 0.21 0.34 -0.07 0.00 -0.36 0.00 0.00 55.97 56.09 2c3u s LYS 331 Cb -0.04 -0.89 0.17 0.00 -1.51 0.00 0.00 37.83 35.57 2c3u s LYS 331 CO 0.08 -0.56 0.53 -1.21 -0.36 0.00 0.00 175.35 173.83 2c3u s GLU 332 N 2.34 2.87 -0.25 4.03 2.02 -1.26 -5.05 118.70 123.40 2c3u s GLU 332 Ca 0.06 -2.38 -0.41 0.00 0.02 0.00 0.00 54.97 52.26 2c3u s GLU 332 Cb -0.15 -3.98 -0.17 0.00 0.10 0.00 0.00 34.13 29.93 2c3u s GLU 332 CO -0.11 -1.21 1.62 -2.30 0.02 0.00 0.00 175.26 173.28 2c3u n PRO 333 N 3.88 0.86 0.00 0.39 -0.02 -1.26 -1.39 135.00 137.46 2c3u n PRO 333 Ca 0.07 0.31 0.00 0.00 -2.02 0.00 0.00 63.50 61.87 2c3u n PRO 333 Cb 0.41 -1.95 0.00 0.00 -0.02 0.00 0.00 33.50 31.95 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 3.75 2.58 3.76 -1.23 0.00 -1.26 -5.03 105.19 107.75 2c3u n GLY 334 Ca 0.26 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.93 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 -2.16 2.49 -1.27 4.61 0.00 -0.49 -4.88 121.76 120.07 2c3u s ALA 335 Ca 0.00 0.83 0.20 0.00 0.00 0.00 0.00 51.96 52.99 2c3u s ALA 335 Cb 0.00 -3.40 0.94 0.00 0.00 0.00 0.00 23.12 20.66 2c3u s ALA 335 CO 0.00 -1.21 1.62 -0.35 0.00 0.00 0.00 175.76 175.82 2c3u n PRO 336 N -1.91 0.18 0.00 0.00 -0.04 -1.26 -4.84 135.00 127.13 2c3u n PRO 336 Ca 0.12 0.12 0.00 0.00 -0.04 0.00 0.00 63.50 63.71 2c3u n PRO 336 Cb 0.51 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.47 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 0.44 0.62 3.91 0.55 0.00 -1.26 -5.07 105.19 104.36 2c3u n GLY 337 Ca 0.08 -0.75 -0.28 0.00 0.00 0.00 0.00 46.02 45.07 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 5.22 0.11 1.61 1.01 -1.26 -4.82 116.67 118.54 2c3u s ASP 338 Ca 0.00 0.82 -0.24 0.00 0.71 0.00 0.00 52.55 53.84 2c3u s ASP 338 Cb 0.00 -1.60 -0.07 0.00 1.01 0.00 0.00 42.92 42.26 2c3u s ASP 338 CO 0.00 -1.40 1.41 -0.65 0.21 0.00 0.00 175.17 174.74 2c3u h PRO 339 N -0.57 -0.15 -0.75 8.23 0.11 -1.99 -1.64 132.00 135.24 2c3u h PRO 339 Ca -0.45 0.01 0.02 0.00 0.11 0.00 0.00 66.00 65.68 2c3u h PRO 339 Cb 1.28 0.04 -0.04 0.00 0.11 0.00 0.00 31.00 32.38 2c3u h PRO 339 CO 0.63 -0.10 0.49 1.25 -0.21 0.00 0.00 178.00 180.05 2c3u h LEU 340 N -0.16 0.83 0.03 2.35 5.85 -1.95 -1.16 115.31 121.09 2c3u h LEU 340 Ca 0.08 -0.02 0.02 0.00 0.84 0.00 0.00 57.88 58.81 2c3u h LEU 340 Cb 0.38 -0.20 -0.03 0.00 0.37 0.00 0.00 40.66 41.18 2c3u h LEU 340 CO -0.56 0.59 -0.16 0.22 -0.34 0.00 0.00 178.44 178.18 2c3u h TYR 341 N 0.98 -0.43 -0.87 1.25 3.20 -1.83 -0.99 116.97 118.28 2c3u h TYR 341 Ca 0.28 0.01 0.05 0.00 3.14 0.00 0.00 58.73 62.22 2c3u h TYR 341 Cb -0.07 0.19 -0.06 0.00 1.54 0.00 0.00 36.73 38.33 2c3u h TYR 341 CO -0.03 -0.24 0.55 -0.07 -1.64 0.00 0.00 178.16 176.74 2c3u h LEU 342 N -0.28 0.89 -1.06 2.82 4.07 -0.92 -0.21 115.31 120.61 2c3u h LEU 342 Ca 0.04 0.01 -0.03 0.00 0.08 0.00 0.00 57.88 57.98 2c3u h LEU 342 Cb 0.34 -0.18 -0.03 0.00 1.08 0.00 0.00 40.66 41.87 2c3u h LEU 342 CO -0.14 0.58 0.26 0.44 -1.08 0.00 0.00 178.44 178.51 2c3u h ASP 343 N 1.03 0.85 -0.20 -0.43 3.32 -0.58 -2.17 116.42 118.24 2c3u h ASP 343 Ca 0.37 -0.11 -0.14 0.00 0.02 0.00 0.00 57.03 57.17 2c3u h ASP 343 Cb 0.11 -0.22 0.00 0.00 0.22 0.00 0.00 39.33 39.44 2c3u h ASP 343 CO -0.15 0.75 -0.41 0.58 -1.72 0.00 0.00 179.24 178.29 2c3u h VAL 344 N 0.92 1.32 -0.92 -1.35 2.07 -0.41 -2.73 116.25 115.16 2c3u h VAL 344 Ca 0.22 -1.63 0.04 0.00 0.82 0.00 0.00 66.70 66.15 2c3u h VAL 344 Cb 0.17 1.86 -0.06 0.00 -1.52 0.00 0.00 31.29 31.74 2c3u h VAL 344 CO -0.02 0.51 0.59 0.00 0.02 0.00 0.00 177.57 178.67 2c3u h SER 346 N 1.13 0.50 -0.61 0.00 4.64 -1.28 -2.16 113.55 115.75 2c3u h SER 346 Ca 0.37 -0.06 -0.06 0.00 -0.47 0.00 0.00 61.79 61.58 2c3u h SER 346 Cb 0.05 -0.13 -0.03 0.00 -0.31 0.00 0.00 62.40 61.99 2c3u h SER 346 CO -0.13 0.49 0.16 0.00 -0.87 0.00 0.00 176.83 176.47 2c3u h ALA 347 N 1.59 0.81 -0.39 5.18 0.00 -0.94 -2.26 119.26 123.25 2c3u h ALA 347 Ca 0.13 -0.22 -0.15 0.00 0.00 0.00 0.00 54.91 54.66 2c3u h ALA 347 Cb 0.18 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 2c3u h ALA 347 CO -0.01 0.51 -0.36 0.74 0.00 0.00 0.00 179.25 180.13 2c3u h PHE 348 N 0.89 1.11 -0.66 0.00 -1.00 -1.06 -2.15 116.94 114.07 2c3u h PHE 348 Ca 0.19 -0.33 -0.07 0.00 2.81 0.00 0.00 57.97 60.58 2c3u h PHE 348 Cb 0.34 -0.24 -0.03 0.00 3.61 0.00 0.00 35.95 39.63 2c3u h PHE 348 CO 0.02 1.15 0.15 -0.39 -1.61 0.00 0.00 178.31 177.63 2c3u h VAL 349 N 0.75 1.26 -0.42 -0.55 -1.51 -1.33 -2.00 116.25 112.45 2c3u h VAL 349 Ca 0.07 -0.97 -0.09 0.00 -1.23 0.00 0.00 66.70 64.48 2c3u h VAL 349 Cb 0.95 0.61 -0.01 0.00 -2.13 0.00 0.00 31.29 30.71 2c3u h VAL 349 CO 0.09 0.37 -0.08 -0.33 -1.23 0.00 0.00 177.57 176.39 2c3u h GLU 350 N 1.00 0.79 -0.99 5.19 5.08 -1.40 -2.52 114.58 121.73 2c3u h GLU 350 Ca 0.21 -0.29 0.11 0.00 -1.00 0.00 0.00 59.36 58.39 2c3u h GLU 350 Cb 0.39 -0.05 -0.08 0.00 0.50 0.00 0.00 28.75 29.50 2c3u h GLU 350 CO 0.01 0.91 0.63 -0.09 -1.00 0.00 0.00 179.01 179.46 2c3u h ARG 351 N 0.62 0.96 -5.92 2.33 2.43 -1.22 -3.46 114.38 110.12 2c3u h ARG 351 Ca 0.11 -0.06 -0.40 0.00 -0.81 0.00 0.00 59.98 58.82 2c3u h ARG 351 Cb 0.60 -0.22 0.10 0.00 -0.42 0.00 0.00 29.97 30.04 2c3u h ARG 351 CO 0.04 0.63 -0.74 0.41 -1.51 0.00 0.00 179.97 178.80 2c3u n GLY 352 N -1.36 -0.45 0.00 2.80 0.00 -0.77 -4.97 105.19 100.45 2c3u n GLY 352 Ca 0.18 0.19 0.00 0.00 0.00 0.00 0.00 46.02 46.39 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 -4.61 0.00 -1.80 1.61 1.02 -1.26 -5.09 120.64 110.50 2c3u n GLU 353 Ca -0.11 0.00 -0.41 0.00 -0.02 0.00 0.00 57.16 56.62 2c3u n GLU 353 Cb 0.60 0.00 -0.01 0.00 -0.02 0.00 0.00 31.44 32.01 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 3.67 -0.54 0.62 0.00 -1.26 -4.97 121.76 117.29 2c3u s ALA 354 Ca 0.00 1.56 0.04 0.00 0.00 0.00 0.00 51.96 53.56 2c3u s ALA 354 Cb 0.00 -3.63 0.13 0.00 0.00 0.00 0.00 23.12 19.63 2c3u s ALA 354 CO 0.00 -0.99 0.29 -1.64 0.00 0.00 0.00 175.76 173.41 2c3u s MET 355 N -1.09 2.03 0.47 0.00 -1.94 -1.26 -5.01 119.30 112.50 2c3u s MET 355 Ca 0.59 -2.71 0.27 0.00 -1.71 0.00 0.00 55.69 52.13 2c3u s MET 355 Cb -0.47 -3.33 1.46 0.00 2.01 0.00 0.00 34.83 34.50 2c3u s MET 355 CO 0.53 -1.13 1.80 -1.00 -0.01 0.00 0.00 175.02 175.22 2c3u h PRO 356 N 6.37 0.00 -0.95 2.03 0.13 -1.86 -3.48 132.00 134.25 2c3u h PRO 356 Ca -0.06 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.07 2c3u h PRO 356 Cb 0.87 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.00 2c3u h PRO 356 CO 0.69 0.00 0.00 1.17 -0.23 0.00 0.00 178.00 179.63 2c3u n LYS 357 N -2.53 0.00 -3.96 0.86 3.00 -1.26 -3.40 118.16 110.87 2c3u n LYS 357 Ca -0.02 0.17 -0.35 0.00 -0.00 0.00 0.00 58.31 58.11 2c3u n LYS 357 Cb 0.17 -0.30 -0.08 0.00 0.00 0.00 0.00 35.03 34.81 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 0.00 5.04 -0.04 3.15 -1.09 -1.26 -1.79 121.20 125.21 2c3u s ILE 358 Ca 0.00 0.05 0.07 0.00 -2.23 0.00 0.00 60.65 58.53 2c3u s ILE 358 Cb 0.00 -3.24 -0.02 0.00 -1.58 0.00 0.00 42.46 37.62 2c3u s ILE 358 CO 0.00 0.51 -0.24 -0.76 -1.23 0.00 0.00 174.94 173.22 2c3u s LEU 359 N -0.13 2.15 -0.16 2.97 1.02 -0.29 -5.00 118.68 119.23 2c3u s LEU 359 Ca 0.08 -0.45 -0.06 0.00 0.02 0.00 0.00 54.13 53.72 2c3u s LEU 359 Cb -0.12 -1.38 -0.04 0.00 0.02 0.00 0.00 46.19 44.67 2c3u s LEU 359 CO 0.01 0.30 0.05 0.00 0.02 0.00 0.00 176.35 176.73 2c3u s ALA 360 N -0.47 3.40 0.00 4.21 0.00 -1.26 -0.12 121.76 127.51 2c3u s ALA 360 Ca 0.06 -0.75 0.02 0.00 0.00 0.00 0.00 51.96 51.29 2c3u s ALA 360 Cb -0.11 -1.83 -0.01 0.00 0.00 0.00 0.00 23.12 21.17 2c3u s ALA 360 CO 0.01 0.27 -0.06 0.20 0.00 0.00 0.00 175.76 176.18 2c3u s GLY 361 N 0.08 0.32 -0.08 0.00 0.00 -0.36 -0.99 107.32 106.29 2c3u s GLY 361 Ca 0.05 -0.33 0.01 0.00 0.00 0.00 0.00 44.72 44.45 2c3u s GLY 361 CO 0.01 -0.30 -0.08 -1.60 0.00 0.00 0.00 173.10 171.13 2c3u s ARG 362 N -0.34 2.88 0.34 2.90 3.52 0.13 -0.73 118.95 127.66 2c3u s ARG 362 Ca 0.01 -0.59 -0.05 0.00 -0.13 0.00 0.00 55.73 54.97 2c3u s ARG 362 Cb -0.03 -2.60 0.01 0.00 -1.56 0.00 0.00 34.95 30.77 2c3u s ARG 362 CO -0.00 0.56 0.51 1.52 -0.81 0.00 0.00 175.30 177.08 2c3u s TYR 363 N -0.53 0.91 -0.12 5.12 1.13 -1.06 -1.77 117.35 121.03 2c3u s TYR 363 Ca 0.08 -1.20 0.00 0.00 -1.41 0.00 0.00 57.07 54.54 2c3u s TYR 363 Cb -0.12 0.04 0.00 0.00 -1.10 0.00 0.00 41.96 40.78 2c3u s TYR 363 CO 0.02 -1.17 0.00 0.41 -2.51 0.00 0.00 175.55 172.30 2c3u n GLY 364 N -0.55 0.10 3.63 5.49 0.00 -1.26 -4.40 105.19 108.21 2c3u n GLY 364 Ca -0.00 0.00 -0.48 0.00 0.00 0.00 0.00 46.02 45.54 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 -0.17 2.48 -3.71 0.99 4.32 -1.26 -2.29 117.00 117.36 2c3u n LEU 365 Ca -0.01 1.11 -0.22 0.00 -0.02 0.00 0.00 56.01 56.87 2c3u n LEU 365 Cb 0.28 -1.33 0.04 0.00 -1.62 0.00 0.00 43.42 40.78 2c3u n LEU 365 CO 0.02 -0.68 -0.01 0.61 -1.22 0.00 0.00 177.39 176.11 2c3u n GLY 366 N 2.70 -0.34 2.55 -0.72 0.00 -1.17 -1.65 105.19 106.56 2c3u n GLY 366 Ca 0.16 0.14 -0.20 0.00 0.00 0.00 0.00 46.02 46.11 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 -3.02 -5.43 -4.68 1.61 7.64 0.66 -4.57 113.62 105.83 2c3u n SER 367 Ca -0.23 0.45 -0.44 0.00 1.01 0.00 0.00 58.87 59.66 2c3u n SER 367 Cb 0.65 -4.77 -0.02 0.00 -1.01 0.00 0.00 64.21 59.05 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 -2.43 2.06 -1.61 1.43 3.00 -0.66 -4.85 118.16 115.11 2c3u n LYS 368 Ca -0.21 0.73 -0.42 0.00 -0.00 0.00 0.00 58.31 58.41 2c3u n LYS 368 Cb 0.67 -2.37 0.01 0.00 0.00 0.00 0.00 35.03 33.34 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 1.69 1.38 -3.51 1.64 -0.58 -1.26 -4.29 120.64 115.71 2c3u n GLU 369 Ca 0.10 0.49 -0.28 0.00 -0.42 0.00 0.00 57.16 57.06 2c3u n GLU 369 Cb 0.33 -2.01 -0.11 0.00 -0.57 0.00 0.00 31.44 29.08 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 -1.24 1.56 0.63 -0.32 2.19 -1.26 -4.66 117.98 114.89 2c3u s PHE 370 Ca 0.62 -2.46 -0.05 0.00 0.33 0.00 0.00 56.93 55.37 2c3u s PHE 370 Cb -0.58 -1.30 0.04 0.00 -1.31 0.00 0.00 43.02 39.87 2c3u s PHE 370 CO 0.58 -0.77 0.92 -1.54 1.83 0.00 0.00 175.22 176.24 2c3u s SER 371 N -0.12 5.16 0.30 6.13 1.04 -1.26 -4.80 113.70 120.15 2c3u s SER 371 Ca 0.29 0.44 0.04 0.00 0.48 0.00 0.00 55.95 57.20 2c3u s SER 371 Cb -0.02 -1.25 0.67 0.00 0.10 0.00 0.00 66.02 65.52 2c3u s SER 371 CO -0.16 -1.33 1.81 -0.65 0.98 0.00 0.00 173.24 173.89 2c3u h PRO 372 N -0.32 0.83 -0.72 4.02 0.11 -1.97 0.55 132.00 134.51 2c3u h PRO 372 Ca -0.44 -0.05 -0.00 0.00 0.11 0.00 0.00 66.00 65.61 2c3u h PRO 372 Cb 1.29 -0.19 -0.04 0.00 0.11 0.00 0.00 31.00 32.18 2c3u h PRO 372 CO 0.59 0.55 0.44 0.00 -0.21 0.00 0.00 178.00 179.36 2c3u h ALA 373 N 1.60 1.41 -0.20 -0.75 0.00 -1.92 0.92 119.26 120.32 2c3u h ALA 373 Ca 0.54 -0.08 -0.17 0.00 0.00 0.00 0.00 54.91 55.19 2c3u h ALA 373 Cb 0.72 -0.29 -0.00 0.00 0.00 0.00 0.00 17.79 18.21 2c3u h ALA 373 CO -0.32 0.51 -0.58 0.52 0.00 0.00 0.00 179.25 179.38 2c3u h MET 374 N 0.99 0.65 -0.58 0.00 2.86 -1.29 -1.57 114.93 115.98 2c3u h MET 374 Ca 0.26 -0.43 -0.04 0.00 -2.06 0.00 0.00 59.70 57.43 2c3u h MET 374 Cb -0.04 0.06 -0.03 0.00 0.06 0.00 0.00 31.60 31.65 2c3u h MET 374 CO -0.05 1.05 0.20 0.28 1.06 0.00 0.00 176.91 179.45 2c3u h VAL 375 N 0.49 1.24 -0.48 -2.22 2.07 -0.70 -0.90 116.25 115.75 2c3u h VAL 375 Ca 0.00 -0.78 0.02 0.00 0.82 0.00 0.00 66.70 66.77 2c3u h VAL 375 Cb 1.15 0.65 -0.03 0.00 -1.52 0.00 0.00 31.29 31.54 2c3u h VAL 375 CO 0.12 0.30 0.28 0.50 0.02 0.00 0.00 177.57 178.78 2c3u h LYS 376 N 0.82 0.54 -0.95 1.57 1.63 -0.66 -0.88 116.57 118.63 2c3u h LYS 376 Ca 0.19 -0.03 0.04 0.00 -0.85 0.00 0.00 60.65 60.00 2c3u h LYS 376 Cb 0.26 -0.12 -0.06 0.00 -0.60 0.00 0.00 32.23 31.71 2c3u h LYS 376 CO -0.01 0.35 0.62 1.03 -3.45 0.00 0.00 179.45 178.00 2c3u h SER 377 N 0.55 1.03 -0.59 4.20 0.87 -0.81 0.20 113.55 119.00 2c3u h SER 377 Ca 0.19 -0.01 -0.08 0.00 -1.23 0.00 0.00 61.79 60.66 2c3u h SER 377 Cb 0.03 -0.23 -0.02 0.00 -0.44 0.00 0.00 62.40 61.73 2c3u h SER 377 CO -0.10 0.70 0.07 0.58 -0.53 0.00 0.00 176.83 177.55 2c3u h VAL 378 N 1.19 1.26 -0.10 2.23 2.07 0.01 -1.59 116.25 121.32 2c3u h VAL 378 Ca 0.38 -1.05 -0.22 0.00 0.82 0.00 0.00 66.70 66.63 2c3u h VAL 378 Cb 0.02 0.71 0.01 0.00 -1.52 0.00 0.00 31.29 30.52 2c3u h VAL 378 CO -0.12 0.39 -0.80 1.88 0.02 0.00 0.00 177.57 178.94 2c3u h TYR 379 N 0.96 0.99 -0.43 1.57 -1.99 -0.32 -3.09 116.97 114.66 2c3u h TYR 379 Ca 0.19 -0.47 -0.01 0.00 2.00 0.00 0.00 58.73 60.43 2c3u h TYR 379 Cb 0.46 -0.14 -0.02 0.00 2.00 0.00 0.00 36.73 39.03 2c3u h TYR 379 CO 0.03 1.30 0.20 -0.44 -0.00 0.00 0.00 178.16 179.25 2c3u h ASP 380 N 0.40 0.53 -0.05 3.88 3.32 -0.55 -1.78 116.42 122.17 2c3u h ASP 380 Ca -0.07 -0.04 -0.04 0.00 0.02 0.00 0.00 57.03 56.90 2c3u h ASP 380 Cb 1.44 -0.13 -0.01 0.00 0.22 0.00 0.00 39.33 40.85 2c3u h ASP 380 CO 0.16 0.46 -0.06 -1.13 -1.72 0.00 0.00 179.24 176.95 2c3u h ASN 381 N 0.60 0.24 0.70 6.45 -1.24 -1.25 0.10 115.58 121.19 2c3u h ASN 381 Ca 0.15 -0.04 -0.07 0.00 0.71 0.00 0.00 56.30 57.05 2c3u h ASN 381 Cb 0.07 -0.06 -0.01 0.00 0.73 0.00 0.00 38.32 39.05 2c3u h ASN 381 CO -0.02 0.34 -0.34 0.24 -1.29 0.00 0.00 177.43 176.36 2c3u h MET 382 N 0.26 0.00 -0.33 6.67 2.86 -1.24 0.12 114.93 123.26 2c3u h MET 382 Ca 0.06 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.70 2c3u h MET 382 Cb 0.28 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.94 2c3u h MET 382 CO 0.01 0.34 0.00 -1.13 1.06 0.00 0.00 176.91 177.19 2c3u n SER 383 N -3.63 2.89 0.00 1.22 3.41 -0.84 -4.77 113.62 111.89 2c3u n SER 383 Ca -0.01 -1.93 0.00 0.00 -0.26 0.00 0.00 58.87 56.68 2c3u n SER 383 Cb 0.46 -0.22 0.00 0.00 -0.26 0.00 0.00 64.21 64.19 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 0.65 1.51 0.25 5.00 0.00 0.30 -4.96 105.19 107.94 2c3u n GLY 384 Ca 0.12 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.25 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 0.63 1.23 -5.82 4.61 0.00 -1.80 -3.47 119.26 114.64 2c3u h ALA 385 Ca 0.00 -0.15 -0.37 0.00 0.00 0.00 0.00 54.91 54.39 2c3u h ALA 385 Cb 0.00 -0.03 0.13 0.00 0.00 0.00 0.00 17.79 17.89 2c3u h ALA 385 CO 0.00 0.20 -0.75 1.63 0.00 0.00 0.00 179.25 180.33 2c3u n LYS 386 N -3.62 -6.70 -2.04 0.00 5.02 0.40 -4.92 118.16 106.30 2c3u n LYS 386 Ca -0.01 0.79 -0.41 0.00 -2.02 0.00 0.00 58.31 56.66 2c3u n LYS 386 Cb 0.29 -5.75 -0.01 0.00 -0.02 0.00 0.00 35.03 29.54 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 -5.82 4.27 0.22 1.97 2.20 -1.26 -5.01 119.74 116.30 2c3u s LYS 387 Ca 0.22 2.29 0.09 0.00 -0.36 0.00 0.00 55.97 58.22 2c3u s LYS 387 Cb -0.10 -3.02 -0.04 0.00 -1.51 0.00 0.00 37.83 33.15 2c3u s LYS 387 CO 0.75 -0.29 -0.04 1.21 -0.36 0.00 0.00 175.35 176.62 2c3u s ASN 388 N -0.43 4.44 -1.32 1.43 2.47 -1.26 -4.70 114.94 115.58 2c3u s ASN 388 Ca 0.50 -0.59 -0.04 0.00 0.42 0.00 0.00 52.86 53.15 2c3u s ASN 388 Cb -0.41 -0.81 -0.00 0.00 -1.45 0.00 0.00 41.25 38.58 2c3u s ASN 388 CO 0.55 0.05 0.58 1.41 -3.72 0.00 0.00 177.10 175.98 2c3u n HIS 389 N -0.42 -1.79 -3.01 0.43 8.25 -0.16 -4.93 115.22 113.59 2c3u n HIS 389 Ca -0.08 0.72 -0.19 0.00 -0.26 0.00 0.00 57.72 57.91 2c3u n HIS 389 Cb 0.57 -3.89 0.04 0.00 1.12 0.00 0.00 29.99 27.83 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 -3.77 1.94 0.07 4.41 -0.12 -0.84 -4.93 117.98 114.75 2c3u s PHE 390 Ca 0.10 -0.59 0.07 0.00 -0.05 0.00 0.00 56.93 56.45 2c3u s PHE 390 Cb -0.03 -2.29 -0.03 0.00 -0.63 0.00 0.00 43.02 40.04 2c3u s PHE 390 CO 0.86 -0.89 -0.18 0.95 -0.05 0.00 0.00 175.22 175.91 2c3u s THR 391 N -2.56 1.41 -0.02 -4.49 -4.23 -0.74 0.17 115.64 105.19 2c3u s THR 391 Ca 0.59 -1.34 0.01 0.00 -1.18 0.00 0.00 61.69 59.78 2c3u s THR 391 Cb -0.07 -1.30 0.01 0.00 1.34 0.00 0.00 72.50 72.48 2c3u s THR 391 CO 0.37 -0.07 -0.04 -0.69 -0.54 0.00 0.00 174.62 173.65 2c3u s VAL 392 N -1.10 0.36 0.00 2.29 1.01 -0.73 -1.46 120.40 120.77 2c3u s VAL 392 Ca 0.03 -0.13 0.00 0.00 0.00 0.00 0.00 61.98 61.88 2c3u s VAL 392 Cb -0.10 -0.35 0.00 0.00 0.00 0.00 0.00 36.38 35.94 2c3u s VAL 392 CO 0.03 0.13 0.00 0.61 0.00 0.00 0.00 175.10 175.87 2c3u n GLY 393 N 3.37 1.08 3.19 4.51 0.00 -1.26 -4.51 105.19 111.56 2c3u n GLY 393 Ca -0.18 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.73 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 0.22 -0.50 -0.61 -0.00 -1.26 -4.94 121.20 112.10 2c3u s ILE 394 Ca 0.00 -1.95 -0.11 0.00 -0.00 0.00 0.00 60.65 58.59 2c3u s ILE 394 Cb 0.00 -2.18 0.12 0.00 -0.00 0.00 0.00 42.46 40.40 2c3u s ILE 394 CO 0.00 -0.35 0.40 -0.70 -0.00 0.00 0.00 174.94 174.29 2c3u s GLU 395 N -4.04 2.65 -0.99 0.37 2.12 -1.26 -4.67 118.70 112.87 2c3u s GLU 395 Ca 0.28 -1.77 -0.20 0.00 0.36 0.00 0.00 54.97 53.64 2c3u s GLU 395 Cb 0.07 -4.05 0.10 0.00 0.26 0.00 0.00 34.13 30.51 2c3u s GLU 395 CO 0.05 -1.24 1.29 0.34 -0.54 0.00 0.00 175.26 175.16 2c3u s ASP 396 N 2.95 6.61 0.00 -1.70 3.68 -1.26 -1.97 116.67 124.97 2c3u s ASP 396 Ca 0.05 -1.88 0.17 0.00 2.13 0.00 0.00 52.55 53.02 2c3u s ASP 396 Cb -0.27 -2.47 0.48 0.00 -1.45 0.00 0.00 42.92 39.21 2c3u s ASP 396 CO 0.00 -1.23 1.40 -0.90 0.13 0.00 0.00 175.17 174.58 2c3u n ASP 397 N 7.49 2.71 -0.11 -0.34 5.75 -1.26 -1.57 116.55 129.21 2c3u n ASP 397 Ca 0.29 -1.97 -0.16 0.00 -0.01 0.00 0.00 54.79 52.94 2c3u n ASP 397 Cb 0.49 -0.31 -0.10 0.00 -1.03 0.00 0.00 41.12 40.17 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 0.98 1.24 -0.38 2.12 0.24 -1.26 -4.66 118.33 116.61 2c3u n VAL 398 Ca 0.17 -0.45 0.03 0.00 -2.04 0.00 0.00 64.34 62.05 2c3u n VAL 398 Cb 0.44 -1.34 0.05 0.00 -1.47 0.00 0.00 33.84 31.51 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 -3.26 1.27 -4.40 3.34 -2.24 -1.26 -5.03 114.28 102.70 2c3u n THR 399 Ca -0.39 -1.40 -0.39 0.00 -2.27 0.00 0.00 64.05 59.60 2c3u n THR 399 Cb 0.90 0.26 -0.06 0.00 -2.10 0.00 0.00 70.33 69.33 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 -0.80 -0.38 0.10 3.38 0.00 -0.61 -4.84 105.19 102.04 2c3u n GLY 400 Ca 0.05 0.10 0.12 0.00 0.00 0.00 0.00 46.02 46.29 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 -4.23 0.00 -2.81 2.61 -2.24 -1.25 -4.97 114.28 101.38 2c3u n THR 401 Ca 0.04 -0.05 -0.30 0.00 -2.27 0.00 0.00 64.05 61.47 2c3u n THR 401 Cb 0.50 0.55 -0.03 0.00 -2.10 0.00 0.00 70.33 69.25 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 -2.85 6.53 0.06 3.42 1.04 -1.26 -1.80 113.70 118.84 2c3u s SER 402 Ca 0.14 1.17 -0.20 0.00 0.48 0.00 0.00 55.95 57.54 2c3u s SER 402 Cb 0.18 -2.34 -0.06 0.00 0.10 0.00 0.00 66.02 63.89 2c3u s SER 402 CO 0.69 -0.42 0.60 -0.76 0.98 0.00 0.00 173.24 174.33 2c3u s LEU 403 N -3.87 4.51 0.44 2.42 1.02 -0.53 -4.90 118.68 117.76 2c3u s LEU 403 Ca 0.52 1.27 -0.23 0.00 0.02 0.00 0.00 54.13 55.71 2c3u s LEU 403 Cb -0.10 -2.94 -0.08 0.00 0.02 0.00 0.00 46.19 43.09 2c3u s LEU 403 CO 0.31 0.22 1.12 -2.16 0.02 0.00 0.00 176.35 175.87 2c3u s PRO 404 N -0.87 3.91 -0.10 1.29 0.04 -1.26 -4.77 135.00 133.23 2c3u s PRO 404 Ca 0.30 1.68 0.00 0.00 0.04 0.00 0.00 61.00 63.02 2c3u s PRO 404 Cb -0.19 -2.45 0.02 0.00 0.04 0.00 0.00 34.50 31.91 2c3u s PRO 404 CO 0.19 -0.40 -0.10 0.08 0.04 0.00 0.00 177.00 176.81 2c3u s VAL 405 N -1.59 1.12 -0.63 -0.36 1.01 -1.26 -4.82 120.40 113.87 2c3u s VAL 405 Ca 0.61 -0.39 -0.18 0.00 0.00 0.00 0.00 61.98 62.02 2c3u s VAL 405 Cb -0.26 -1.09 0.11 0.00 0.00 0.00 0.00 36.38 35.14 2c3u s VAL 405 CO 0.32 0.37 0.74 -0.62 0.00 0.00 0.00 175.10 175.91 2c3u s ASP 406 N 1.36 6.25 0.00 3.32 3.68 -1.26 -4.92 116.67 125.10 2c3u s ASP 406 Ca -0.01 -1.57 0.04 0.00 2.13 0.00 0.00 52.55 53.13 2c3u s ASP 406 Cb -0.14 -2.30 0.21 0.00 -1.45 0.00 0.00 42.92 39.25 2c3u s ASP 406 CO -0.05 -1.07 0.70 0.59 0.13 0.00 0.00 175.17 175.47 2c3u n ASN 407 N 6.17 0.00 -0.11 -0.34 3.02 -1.26 -2.37 115.26 120.37 2c3u n ASN 407 Ca -0.06 -0.89 0.13 0.00 -0.03 0.00 0.00 54.58 53.73 2c3u n ASN 407 Cb 0.43 0.00 0.41 0.00 -0.61 0.00 0.00 39.78 40.01 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 -0.61 3.10 -1.60 5.41 0.00 -1.26 -4.91 120.51 120.64 2c3u n ALA 408 Ca 0.03 -0.33 -0.47 0.00 0.00 0.00 0.00 53.44 52.67 2c3u n ALA 408 Cb 0.01 -1.20 -0.04 0.00 0.00 0.00 0.00 19.45 18.22 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 -1.10 1.51 -1.10 0.00 -0.00 -1.00 -4.91 117.46 110.86 2c3u n PHE 409 Ca 0.10 0.62 -0.33 0.00 -0.00 0.00 0.00 57.45 57.84 2c3u n PHE 409 Cb 0.33 -2.32 0.13 0.00 -0.00 0.00 0.00 39.48 37.61 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 -0.22 1.84 0.31 3.13 0.00 -1.26 -4.95 121.76 120.61 2c3u s ALA 410 Ca 0.71 0.78 -0.29 0.00 0.00 0.00 0.00 51.96 53.16 2c3u s ALA 410 Cb -0.79 -3.47 -0.10 0.00 0.00 0.00 0.00 23.12 18.76 2c3u s ALA 410 CO 0.52 -2.28 1.35 0.34 0.00 0.00 0.00 175.76 175.69 2c3u s ASP 411 N -2.28 6.72 -0.02 0.00 -1.08 -1.26 -4.94 116.67 113.81 2c3u s ASP 411 Ca 0.72 2.69 0.06 0.00 -0.52 0.00 0.00 52.55 55.49 2c3u s ASP 411 Cb -0.27 -2.64 0.14 0.00 -1.46 0.00 0.00 42.92 38.69 2c3u s ASP 411 CO 0.51 -0.59 1.11 0.35 0.52 0.00 0.00 175.17 177.06 2c3u n THR 412 N 1.23 1.15 -1.92 1.71 -2.24 -1.26 -5.04 114.28 107.92 2c3u n THR 412 Ca 0.02 -1.17 -0.35 0.00 -2.27 0.00 0.00 64.05 60.28 2c3u n THR 412 Cb 0.41 0.39 0.04 0.00 -2.10 0.00 0.00 70.33 69.07 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 -1.28 2.83 0.71 4.28 -4.23 -1.26 -4.83 115.64 111.86 2c3u s THR 413 Ca 0.12 0.47 -0.16 0.00 -1.18 0.00 0.00 61.69 60.93 2c3u s THR 413 Cb 0.08 -3.10 0.01 0.00 1.34 0.00 0.00 72.50 70.83 2c3u s THR 413 CO 0.05 -0.16 1.10 -2.65 -0.54 0.00 0.00 174.62 172.43 2c3u n PRO 414 N -1.89 0.65 -1.69 3.99 -0.02 -1.26 -4.89 135.00 129.90 2c3u n PRO 414 Ca 0.12 0.28 -0.43 0.00 -2.02 0.00 0.00 63.50 61.46 2c3u n PRO 414 Cb 0.50 -2.35 -0.01 0.00 -0.02 0.00 0.00 33.50 31.63 2c3u n PRO 414 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 2c3u n LYS 415 N -2.07 2.05 -0.55 -0.52 4.76 -1.26 -2.23 118.16 118.34 2c3u n LYS 415 Ca 0.14 0.72 0.00 0.00 -2.87 0.00 0.00 58.31 56.30 2c3u n LYS 415 Cb 0.49 -2.29 0.00 0.00 -1.84 0.00 0.00 35.03 31.39 2c3u n LYS 415 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2c3u n GLY 416 N 0.93 0.89 3.70 0.72 0.00 -1.26 -4.75 105.19 105.42 2c3u n GLY 416 Ca 0.06 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.66 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 -3.15 4.77 -0.22 2.61 2.01 -0.95 -4.54 115.64 116.17 2c3u s THR 417 Ca 0.00 2.00 -0.08 0.00 0.31 0.00 0.00 61.69 63.91 2c3u s THR 417 Cb 0.00 -4.28 -0.04 0.00 0.01 0.00 0.00 72.50 68.19 2c3u s THR 417 CO 0.00 0.11 0.10 -0.63 -0.69 0.00 0.00 174.62 173.51 2c3u s ILE 418 N 1.29 4.83 -0.11 1.82 1.01 0.22 -4.96 121.20 125.30 2c3u s ILE 418 Ca 0.52 -0.01 0.01 0.00 0.00 0.00 0.00 60.65 61.17 2c3u s ILE 418 Cb -0.21 -3.22 -0.02 0.00 0.01 0.00 0.00 42.46 39.02 2c3u s ILE 418 CO 0.25 0.39 -0.13 -1.10 0.00 0.00 0.00 174.94 174.35 2c3u s GLN 419 N 0.95 3.13 0.02 2.79 -0.21 -1.26 -1.54 119.66 123.54 2c3u s GLN 419 Ca 0.05 -0.68 0.04 0.00 0.02 0.00 0.00 55.36 54.80 2c3u s GLN 419 Cb -0.14 -2.57 -0.02 0.00 1.00 0.00 0.00 33.01 31.28 2c3u s GLN 419 CO 0.03 0.34 -0.13 0.00 -2.12 0.00 0.00 175.29 173.42 2c3u s GLN 421 N -0.80 1.28 -0.07 0.00 -0.21 -0.46 -0.78 119.66 118.62 2c3u s GLN 421 Ca 0.02 -0.55 0.01 0.00 0.02 0.00 0.00 55.36 54.86 2c3u s GLN 421 Cb -0.07 -1.23 0.02 0.00 1.00 0.00 0.00 33.01 32.74 2c3u s GLN 421 CO 0.00 0.33 -0.06 -0.06 -2.12 0.00 0.00 175.29 173.38 2c3u s PHE 422 N -0.33 1.08 -0.36 0.91 0.40 -0.47 -1.19 117.98 118.02 2c3u s PHE 422 Ca 0.05 -0.41 -0.13 0.00 -0.60 0.00 0.00 56.93 55.85 2c3u s PHE 422 Cb -0.06 -0.92 -0.00 0.00 0.51 0.00 0.00 43.02 42.55 2c3u s PHE 422 CO -0.00 -0.31 0.24 -1.58 0.70 0.00 0.00 175.22 174.27 2c3u s TRP 423 N 1.21 3.23 0.40 0.36 0.52 0.33 -0.39 118.94 124.58 2c3u s TRP 423 Ca -0.06 -0.43 0.07 0.00 0.02 0.00 0.00 56.10 55.71 2c3u s TRP 423 Cb -0.14 -2.49 -0.08 0.00 -1.15 0.00 0.00 33.47 29.61 2c3u s TRP 423 CO -0.02 -0.46 0.01 0.20 0.02 0.00 0.00 176.95 176.70 2c3u s GLY 424 N 1.68 2.45 -0.06 0.98 0.00 0.33 -0.52 107.32 112.18 2c3u s GLY 424 Ca 0.05 -2.27 -0.02 0.00 0.00 0.00 0.00 44.72 42.48 2c3u s GLY 424 CO 0.09 -2.07 0.03 -2.27 0.00 0.00 0.00 173.10 168.89 2c3u s LEU 425 N -3.68 3.73 -0.07 0.66 2.96 -1.26 -1.09 118.68 119.93 2c3u s LEU 425 Ca 0.35 0.16 -0.37 0.00 -0.22 0.00 0.00 54.13 54.04 2c3u s LEU 425 Cb 0.10 -1.97 -0.15 0.00 0.50 0.00 0.00 46.19 44.66 2c3u s LEU 425 CO 0.18 0.34 1.60 0.61 -1.32 0.00 0.00 176.35 177.76 2c3u n GLY 426 N 1.81 0.83 2.25 7.98 0.00 0.94 -1.34 105.19 117.66 2c3u n GLY 426 Ca -0.17 0.81 -0.09 0.00 0.00 0.00 0.00 46.02 46.57 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 4.29 -0.16 1.08 4.61 0.00 -1.26 -4.74 120.51 124.34 2c3u n ALA 427 Ca 0.22 0.14 0.12 0.00 0.00 0.00 0.00 53.44 53.92 2c3u n ALA 427 Cb 0.19 -1.19 0.34 0.00 0.00 0.00 0.00 19.45 18.79 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 0.49 2.19 0.00 0.00 5.68 -0.45 -4.94 116.55 119.52 2c3u n ASP 428 Ca -0.09 -1.76 0.00 0.00 -0.50 0.00 0.00 54.79 52.44 2c3u n ASP 428 Cb 0.34 -0.09 0.00 0.00 -1.14 0.00 0.00 41.12 40.23 2c3u n ASP 428 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2c3u n GLY 429 N 1.25 0.49 0.23 6.12 0.00 -1.26 -4.02 105.19 108.01 2c3u n GLY 429 Ca 0.17 -0.31 -0.15 0.00 0.00 0.00 0.00 46.02 45.73 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 0.62 -0.87 2.61 2.02 -1.92 -1.65 112.91 113.72 2c3u h THR 430 Ca 0.00 -0.24 0.07 0.00 0.77 0.00 0.00 66.41 67.01 2c3u h THR 430 Cb 0.00 0.74 -0.06 0.00 -1.74 0.00 0.00 68.15 67.09 2c3u h THR 430 CO 0.00 0.05 0.54 0.58 0.37 0.00 0.00 175.52 177.05 2c3u h VAL 431 N -0.67 1.02 -0.51 3.16 2.07 -1.95 0.42 116.25 119.80 2c3u h VAL 431 Ca -0.05 -0.33 0.03 0.00 0.82 0.00 0.00 66.70 67.17 2c3u h VAL 431 Cb 0.48 -0.02 -0.04 0.00 -1.52 0.00 0.00 31.29 30.19 2c3u h VAL 431 CO 0.09 0.17 0.29 1.23 0.02 0.00 0.00 177.57 179.37 2c3u h GLY 432 N 0.96 0.71 1.28 2.17 0.00 -1.95 -0.10 103.07 106.15 2c3u h GLY 432 Ca 0.39 -0.21 -0.09 0.00 0.00 0.00 0.00 47.33 47.42 2c3u h GLY 432 CO -0.19 0.17 -0.05 0.00 0.00 0.00 0.00 176.54 176.47 2c3u h ALA 433 N 1.24 0.99 -0.56 3.60 0.00 -0.38 -2.16 119.26 121.98 2c3u h ALA 433 Ca 0.21 -0.30 -0.04 0.00 0.00 0.00 0.00 54.91 54.78 2c3u h ALA 433 Cb 0.05 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 2c3u h ALA 433 CO -0.11 0.61 0.20 -0.91 0.00 0.00 0.00 179.25 179.04 2c3u h ASN 434 N 0.79 0.80 -0.04 0.00 2.35 -0.27 -0.17 115.58 119.04 2c3u h ASN 434 Ca 0.14 -0.19 -0.08 0.00 -0.55 0.00 0.00 56.30 55.63 2c3u h ASN 434 Cb 0.54 -0.21 -0.01 0.00 0.05 0.00 0.00 38.32 38.68 2c3u h ASN 434 CO 0.03 0.78 -0.19 0.11 -1.65 0.00 0.00 177.43 176.51 2c3u h LYS 435 N 0.78 0.41 -0.17 0.81 1.57 -0.86 -1.11 116.57 117.99 2c3u h LYS 435 Ca 0.18 -0.13 -0.18 0.00 -1.87 0.00 0.00 60.65 58.66 2c3u h LYS 435 Cb 0.24 -0.04 -0.00 0.00 0.08 0.00 0.00 32.23 32.51 2c3u h LYS 435 CO -0.01 0.58 -0.62 1.96 -0.57 0.00 0.00 179.45 180.79 2c3u h GLN 436 N 0.37 0.61 -0.39 3.15 1.08 -1.03 -2.58 115.11 116.31 2c3u h GLN 436 Ca 0.06 -0.42 -0.07 0.00 -1.45 0.00 0.00 58.65 56.78 2c3u h GLN 436 Cb 0.54 0.06 -0.02 0.00 -0.05 0.00 0.00 27.48 28.02 2c3u h GLN 436 CO 0.04 1.04 -0.03 0.00 -0.95 0.00 0.00 178.83 178.93 2c3u h ALA 437 N 0.86 1.22 -0.44 3.87 0.00 -0.56 0.13 119.26 124.33 2c3u h ALA 437 Ca -0.01 -0.25 -0.03 0.00 0.00 0.00 0.00 54.91 54.63 2c3u h ALA 437 Cb 1.19 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.80 2c3u h ALA 437 CO 0.12 0.51 0.17 0.82 0.00 0.00 0.00 179.25 180.88 2c3u h ILE 438 N 0.60 1.20 0.14 0.00 1.08 -1.06 -0.99 117.51 118.49 2c3u h ILE 438 Ca 0.12 -0.63 -0.01 0.00 -0.39 0.00 0.00 64.86 63.95 2c3u h ILE 438 Cb 0.42 0.79 0.00 0.00 -3.07 0.00 0.00 36.82 34.97 2c3u h ILE 438 CO 0.02 0.23 -0.07 0.11 -0.69 0.00 0.00 178.15 177.75 2c3u h LYS 439 N 0.57 -0.18 -0.19 2.37 1.57 -1.05 -1.58 116.57 118.08 2c3u h LYS 439 Ca 0.15 0.01 0.05 0.00 -1.87 0.00 0.00 60.65 58.99 2c3u h LYS 439 Cb 0.20 0.04 -0.07 0.00 0.08 0.00 0.00 32.23 32.48 2c3u h LYS 439 CO -0.01 0.16 -0.27 0.82 -0.57 0.00 0.00 179.45 179.58 2c3u h ILE 440 N -0.54 0.36 -0.52 1.86 1.08 -0.72 -0.07 117.51 118.96 2c3u h ILE 440 Ca -0.02 0.00 -0.04 0.00 -0.39 0.00 0.00 64.86 64.42 2c3u h ILE 440 Cb 0.42 0.36 -0.02 0.00 -3.07 0.00 0.00 36.82 34.50 2c3u h ILE 440 CO 0.03 0.00 0.19 0.40 -0.69 0.00 0.00 178.15 178.08 2c3u h ILE 441 N -0.31 1.22 -0.18 -0.67 1.08 -1.21 -2.88 117.51 114.57 2c3u h ILE 441 Ca 0.12 -0.72 -0.13 0.00 -0.39 0.00 0.00 64.86 63.73 2c3u h ILE 441 Cb 0.49 0.72 -0.01 0.00 -3.07 0.00 0.00 36.82 34.95 2c3u h ILE 441 CO -0.36 0.27 -0.46 1.23 -0.69 0.00 0.00 178.15 178.14 2c3u h GLY 442 N 0.70 0.48 2.00 5.37 0.00 -1.01 -2.49 103.07 108.13 2c3u h GLY 442 Ca 0.17 -0.50 0.00 0.00 0.00 0.00 0.00 47.33 47.00 2c3u h GLY 442 CO -0.01 0.45 0.00 1.22 0.00 0.00 0.00 176.54 178.20 2c3u n ASP 443 N -3.99 0.68 0.00 0.19 10.43 -0.06 -4.01 116.55 119.78 2c3u n ASP 443 Ca -0.02 0.56 0.00 0.00 2.57 0.00 0.00 54.79 57.90 2c3u n ASP 443 Cb 0.54 -0.75 0.00 0.00 1.84 0.00 0.00 41.12 42.75 2c3u n ASP 443 CO 0.00 0.00 0.00 0.59 -1.07 0.00 0.00 177.20 176.72 2c3u n ASN 444 N -2.14 1.47 -3.45 -2.24 3.02 -1.09 -5.05 115.26 105.78 2c3u n ASN 444 Ca 0.06 -1.62 -0.18 0.00 -0.03 0.00 0.00 54.58 52.81 2c3u n ASN 444 Cb 0.42 0.00 -0.08 0.00 -0.61 0.00 0.00 39.78 39.50 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 -0.62 0.00 -0.51 3.41 -4.23 -0.95 -5.03 115.64 107.71 2c3u s THR 445 Ca 0.00 -1.97 0.16 0.00 -1.18 0.00 0.00 61.69 58.69 2c3u s THR 445 Cb 0.00 -2.51 0.70 0.00 1.34 0.00 0.00 72.50 72.03 2c3u s THR 445 CO 0.00 0.00 1.62 0.47 -0.54 0.00 0.00 174.62 176.17 2c3u n ASP 446 N -1.39 4.90 -4.83 3.99 10.43 -1.26 -4.82 116.55 123.57 2c3u n ASP 446 Ca 0.06 -2.77 -0.33 0.00 2.57 0.00 0.00 54.79 54.33 2c3u n ASP 446 Cb 0.63 -0.60 -0.05 0.00 1.84 0.00 0.00 41.12 42.93 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 -2.44 3.80 0.26 0.64 1.43 -1.26 -4.90 118.68 116.21 2c3u s LEU 447 Ca 0.49 1.65 -0.12 0.00 -1.03 0.00 0.00 54.13 55.12 2c3u s LEU 447 Cb 0.36 -4.53 -0.08 0.00 0.03 0.00 0.00 46.19 41.97 2c3u s LEU 447 CO 0.17 -0.49 0.63 -0.36 0.23 0.00 0.00 176.35 176.53 2c3u s PHE 448 N -2.36 3.43 -0.01 0.29 0.40 0.26 -4.76 117.98 115.24 2c3u s PHE 448 Ca 0.61 1.04 0.01 0.00 -0.60 0.00 0.00 56.93 57.99 2c3u s PHE 448 Cb -0.10 -2.39 0.00 0.00 0.51 0.00 0.00 43.02 41.05 2c3u s PHE 448 CO 0.21 0.22 -0.01 0.00 0.70 0.00 0.00 175.22 176.34 2c3u s ALA 449 N -1.84 0.17 0.01 5.36 0.00 -1.26 -1.56 121.76 122.63 2c3u s ALA 449 Ca 0.49 -0.03 0.02 0.00 0.00 0.00 0.00 51.96 52.44 2c3u s ALA 449 Cb -0.11 -0.08 -0.01 0.00 0.00 0.00 0.00 23.12 22.91 2c3u s ALA 449 CO 0.20 0.02 -0.06 -1.14 0.00 0.00 0.00 175.76 174.77 2c3u s GLN 450 N 0.15 0.48 -0.01 0.00 0.74 0.03 -2.66 119.66 118.39 2c3u s GLN 450 Ca -0.01 -0.32 0.00 0.00 0.05 0.00 0.00 55.36 55.07 2c3u s GLN 450 Cb -0.03 -0.43 0.01 0.00 1.10 0.00 0.00 33.01 33.66 2c3u s GLN 450 CO -0.00 0.11 0.01 0.20 -0.55 0.00 0.00 175.29 175.05 2c3u s GLY 451 N -0.44 0.03 -0.09 2.59 0.00 -0.10 -1.51 107.32 107.81 2c3u s GLY 451 Ca -0.00 0.08 -0.05 0.00 0.00 0.00 0.00 44.72 44.75 2c3u s GLY 451 CO -0.00 0.19 0.21 -0.47 0.00 0.00 0.00 173.10 173.03 2c3u s TYR 452 N 0.30 -0.26 -0.06 1.90 5.04 -0.83 0.19 117.35 123.64 2c3u s TYR 452 Ca -0.02 0.64 0.05 0.00 -2.44 0.00 0.00 57.07 55.30 2c3u s TYR 452 Cb -0.04 0.02 -0.01 0.00 0.35 0.00 0.00 41.96 42.28 2c3u s TYR 452 CO -0.01 -0.19 -0.23 -0.06 -1.34 0.00 0.00 175.55 173.73 2c3u s PHE 453 N 0.97 2.27 -0.15 4.97 0.40 -1.26 -0.93 117.98 124.25 2c3u s PHE 453 Ca -0.07 -0.70 -0.03 0.00 -0.60 0.00 0.00 56.93 55.53 2c3u s PHE 453 Cb -0.09 -1.50 -0.02 0.00 0.51 0.00 0.00 43.02 41.92 2c3u s PHE 453 CO -0.06 -0.23 -0.06 0.45 0.70 0.00 0.00 175.22 176.03 2c3u s SER 454 N -0.06 4.62 0.00 1.36 0.15 -0.28 -5.01 113.70 114.48 2c3u s SER 454 Ca -0.05 -0.17 0.00 0.00 0.70 0.00 0.00 55.95 56.43 2c3u s SER 454 Cb -0.14 -1.72 0.00 0.00 -1.71 0.00 0.00 66.02 62.46 2c3u s SER 454 CO 0.04 0.18 0.00 -1.22 1.20 0.00 0.00 173.24 173.44 2c3u n TYR 455 N 3.46 0.00 -4.16 3.44 4.02 -1.26 -1.31 117.16 121.35 2c3u n TYR 455 Ca -0.18 0.00 -0.10 0.00 -0.01 0.00 0.00 57.90 57.61 2c3u n TYR 455 Cb 0.53 0.00 -0.10 0.00 -0.02 0.00 0.00 39.34 39.75 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 0.07 0.94 0.25 7.72 3.68 -1.23 -4.80 116.67 123.30 2c3u s ASP 456 Ca 0.00 -1.04 0.19 0.00 2.13 0.00 0.00 52.55 53.83 2c3u s ASP 456 Cb 0.00 0.14 0.07 0.00 -1.45 0.00 0.00 42.92 41.68 2c3u s ASP 456 CO 0.00 -0.53 1.27 0.28 0.13 0.00 0.00 175.17 176.33 2c3u h SER 457 N 2.97 0.00 -3.08 -0.34 0.02 -1.95 -3.44 113.55 107.73 2c3u h SER 457 Ca -0.35 0.00 -0.53 0.00 -0.84 0.00 0.00 61.79 60.07 2c3u h SER 457 Cb 1.17 0.00 0.01 0.00 0.14 0.00 0.00 62.40 63.72 2c3u h SER 457 CO 0.64 0.31 0.66 -0.54 -1.14 0.00 0.00 176.83 176.77 2c3u s LYS 458 N -3.08 4.36 0.34 3.45 -0.14 -1.26 -4.92 119.74 118.49 2c3u s LYS 458 Ca 0.02 1.94 0.21 0.00 -1.36 0.00 0.00 55.97 56.78 2c3u s LYS 458 Cb 0.08 -3.31 0.19 0.00 -1.68 0.00 0.00 37.83 33.10 2c3u s LYS 458 CO 0.75 -0.37 1.41 0.87 -0.76 0.00 0.00 175.35 177.25 2c3u h LYS 459 N 6.87 0.00 -5.18 1.68 1.57 -1.60 -3.39 116.57 116.51 2c3u h LYS 459 Ca -0.42 0.00 -0.50 0.00 -1.87 0.00 0.00 60.65 57.87 2c3u h LYS 459 Cb 1.21 0.00 -0.30 0.00 0.08 0.00 0.00 32.23 33.22 2c3u h LYS 459 CO 0.84 0.11 -0.81 0.45 -0.57 0.00 0.00 179.45 179.47 2c3u s SER 460 N -6.05 1.71 -1.56 0.86 0.15 -1.26 -4.69 113.70 102.86 2c3u s SER 460 Ca 0.04 -0.27 0.00 0.00 0.70 0.00 0.00 55.95 56.42 2c3u s SER 460 Cb 0.07 -0.31 0.00 0.00 -1.71 0.00 0.00 66.02 64.07 2c3u s SER 460 CO 0.72 0.15 0.00 0.61 1.20 0.00 0.00 173.24 175.92 2c3u n GLY 461 N 2.93 0.41 3.79 9.45 0.00 -1.26 -4.96 105.19 115.55 2c3u n GLY 461 Ca -0.16 -0.20 -0.32 0.00 0.00 0.00 0.00 46.02 45.34 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 -2.46 1.94 0.26 -0.02 0.00 -1.26 -4.66 107.32 101.11 2c3u s GLY 462 Ca 0.00 0.34 -0.17 0.00 0.00 0.00 0.00 44.72 44.89 2c3u s GLY 462 CO 0.00 0.67 0.71 -1.50 0.00 0.00 0.00 173.10 172.98 2c3u s ILE 463 N -2.65 4.65 -0.03 0.90 1.10 -1.26 -0.04 121.20 123.87 2c3u s ILE 463 Ca 0.63 1.07 0.01 0.00 -0.51 0.00 0.00 60.65 61.84 2c3u s ILE 463 Cb -0.17 -3.73 0.02 0.00 0.15 0.00 0.00 42.46 38.73 2c3u s ILE 463 CO 0.46 0.02 -0.02 0.28 -2.11 0.00 0.00 174.94 173.58 2c3u s THR 464 N -1.74 0.27 -0.12 4.00 -1.32 -0.25 -3.51 115.64 112.98 2c3u s THR 464 Ca 0.48 -0.01 -0.01 0.00 -1.21 0.00 0.00 61.69 60.94 2c3u s THR 464 Cb -0.13 -0.33 0.03 0.00 -1.51 0.00 0.00 72.50 70.56 2c3u s THR 464 CO 0.19 0.15 -0.05 -0.51 -2.21 0.00 0.00 174.62 172.19 2c3u s ILE 465 N 0.78 0.90 -0.08 5.08 1.10 -0.43 0.12 121.20 128.68 2c3u s ILE 465 Ca -0.08 -0.29 -0.05 0.00 -0.51 0.00 0.00 60.65 59.71 2c3u s ILE 465 Cb -0.12 -1.00 -0.04 0.00 0.15 0.00 0.00 42.46 41.45 2c3u s ILE 465 CO -0.01 0.28 0.14 -0.44 -2.11 0.00 0.00 174.94 172.79 2c3u s SER 466 N 1.75 6.25 -0.23 4.50 0.01 0.47 -1.13 113.70 125.33 2c3u s SER 466 Ca 0.04 0.39 0.01 0.00 1.31 0.00 0.00 55.95 57.70 2c3u s SER 466 Cb -0.13 -1.98 0.06 0.00 0.21 0.00 0.00 66.02 64.18 2c3u s SER 466 CO -0.08 0.36 -0.07 -1.00 0.41 0.00 0.00 173.24 172.86 2c3u s HIS 467 N -1.11 2.50 0.06 2.43 3.76 -0.11 -1.37 115.29 121.45 2c3u s HIS 467 Ca 0.19 -1.78 0.09 0.00 -0.15 0.00 0.00 55.06 53.42 2c3u s HIS 467 Cb -0.12 -1.63 -0.03 0.00 1.11 0.00 0.00 32.58 31.90 2c3u s HIS 467 CO 0.09 -0.78 -0.26 -0.51 -0.85 0.00 0.00 174.74 172.43 2c3u s LEU 468 N 1.36 2.20 0.03 0.89 1.43 0.04 -1.96 118.68 122.68 2c3u s LEU 468 Ca -0.05 -0.62 0.02 0.00 -1.03 0.00 0.00 54.13 52.45 2c3u s LEU 468 Cb -0.18 -1.23 -0.02 0.00 0.03 0.00 0.00 46.19 44.79 2c3u s LEU 468 CO -0.07 0.23 -0.08 -0.13 0.23 0.00 0.00 176.35 176.53 2c3u s ARG 469 N -1.43 0.55 -0.01 1.70 0.52 -0.57 -0.32 118.95 119.40 2c3u s ARG 469 Ca 0.12 -0.58 0.00 0.00 -0.52 0.00 0.00 55.73 54.75 2c3u s ARG 469 Cb -0.10 -0.42 0.01 0.00 0.52 0.00 0.00 34.95 34.96 2c3u s ARG 469 CO 0.03 0.10 0.00 -0.06 0.02 0.00 0.00 175.30 175.39 2c3u s PHE 470 N -0.91 0.05 0.24 -0.53 0.40 -0.59 -0.79 117.98 115.84 2c3u s PHE 470 Ca -0.05 0.03 -0.22 0.00 -0.60 0.00 0.00 56.93 56.09 2c3u s PHE 470 Cb -0.07 -0.09 0.03 0.00 0.51 0.00 0.00 43.02 43.40 2c3u s PHE 470 CO 0.00 -0.03 0.80 0.20 0.70 0.00 0.00 175.22 176.90 2c3u s GLY 471 N 0.29 -0.14 0.17 4.36 0.00 -0.60 -0.61 107.32 110.79 2c3u s GLY 471 Ca -0.02 -0.17 0.13 0.00 0.00 0.00 0.00 44.72 44.66 2c3u s GLY 471 CO -0.01 -0.06 1.22 0.83 0.00 0.00 0.00 173.10 175.08 2c3u h GLU 472 N 2.00 0.00 -6.17 2.90 5.08 -1.86 0.75 114.58 117.29 2c3u h GLU 472 Ca -0.21 0.00 -0.51 0.00 -1.00 0.00 0.00 59.36 57.64 2c3u h GLU 472 Cb 1.24 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 30.46 2c3u h GLU 472 CO 0.24 0.58 -0.49 0.15 -1.00 0.00 0.00 179.01 178.48 2c3u s LYS 473 N -2.87 3.16 0.32 2.33 -0.14 -1.26 -4.74 119.74 116.55 2c3u s LYS 473 Ca 0.01 -0.86 -0.29 0.00 -1.36 0.00 0.00 55.97 53.48 2c3u s LYS 473 Cb 0.08 -2.74 -0.12 0.00 -1.68 0.00 0.00 37.83 33.37 2c3u s LYS 473 CO 0.78 0.44 1.37 -2.30 -0.76 0.00 0.00 175.35 174.89 2c3u n PRO 474 N -1.00 2.23 -3.28 -1.68 -0.02 -1.26 -4.68 135.00 125.32 2c3u n PRO 474 Ca -0.08 0.79 -0.41 0.00 -2.02 0.00 0.00 63.50 61.77 2c3u n PRO 474 Cb 0.56 -2.42 -0.08 0.00 -0.02 0.00 0.00 33.50 31.54 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 -0.76 5.06 -0.29 4.25 1.01 -1.26 -4.89 121.20 124.31 2c3u s ILE 475 Ca 0.59 0.28 0.15 0.00 0.00 0.00 0.00 60.65 61.66 2c3u s ILE 475 Cb -0.57 -3.92 0.40 0.00 0.01 0.00 0.00 42.46 38.39 2c3u s ILE 475 CO 0.58 -0.17 1.31 0.00 0.00 0.00 0.00 174.94 176.66 2c3u n GLN 476 N 5.64 2.60 -2.39 2.79 6.02 -1.26 -4.90 117.38 125.87 2c3u n GLN 476 Ca -0.06 -2.55 -0.43 0.00 -0.01 0.00 0.00 57.00 53.95 2c3u n GLN 476 Cb 0.49 -1.61 0.00 0.00 1.02 0.00 0.00 30.24 30.14 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 -0.50 4.70 -3.47 1.08 7.64 -1.26 -2.79 113.62 119.02 2c3u n SER 477 Ca 0.17 -2.91 -0.40 0.00 1.01 0.00 0.00 58.87 56.74 2c3u n SER 477 Cb 0.71 -1.70 -0.02 0.00 -1.01 0.00 0.00 64.21 62.20 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 5.76 4.43 -3.53 0.44 -2.24 -1.26 -4.76 114.28 113.11 2c3u n THR 478 Ca 0.48 -3.26 -0.10 0.00 -2.27 0.00 0.00 64.05 58.90 2c3u n THR 478 Cb 0.43 -2.45 -0.02 0.00 -2.10 0.00 0.00 70.33 66.19 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 1.32 -0.41 0.77 4.78 -0.85 -1.26 -4.80 117.35 116.89 2c3u s TYR 479 Ca 0.59 0.17 -0.13 0.00 -0.52 0.00 0.00 57.07 57.19 2c3u s TYR 479 Cb 0.17 0.59 0.06 0.00 0.38 0.00 0.00 41.96 43.15 2c3u s TYR 479 CO -0.07 -0.85 1.14 -0.51 -1.52 0.00 0.00 175.55 173.74 2c3u s LEU 480 N -2.73 3.15 0.13 -3.49 1.43 -1.26 -4.96 118.68 110.94 2c3u s LEU 480 Ca 0.04 2.08 -0.31 0.00 -1.03 0.00 0.00 54.13 54.92 2c3u s LEU 480 Cb -0.02 -4.56 -0.08 0.00 0.03 0.00 0.00 46.19 41.57 2c3u s LEU 480 CO -0.08 -2.23 1.30 -0.69 0.23 0.00 0.00 176.35 174.88 2c3u s VAL 481 N -2.48 3.51 0.00 -1.59 1.01 -1.26 -4.90 120.40 114.69 2c3u s VAL 481 Ca 0.67 1.13 0.00 0.00 0.00 0.00 0.00 61.98 63.78 2c3u s VAL 481 Cb -0.22 -3.73 0.00 0.00 0.00 0.00 0.00 36.38 32.43 2c3u s VAL 481 CO 0.50 0.12 0.16 -0.46 0.00 0.00 0.00 175.10 175.42 2c3u n ASN 482 N 3.48 0.32 -3.38 3.32 0.23 -1.26 -4.88 115.26 113.09 2c3u n ASN 482 Ca 0.09 -0.64 -0.25 0.00 -0.53 0.00 0.00 54.58 53.25 2c3u n ASN 482 Cb 0.44 0.47 -0.10 0.00 -2.08 0.00 0.00 39.78 38.50 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 -0.47 0.72 0.34 -3.83 0.52 -1.26 -4.23 118.95 110.75 2c3u s ARG 483 Ca 0.00 -1.53 -0.14 0.00 -0.52 0.00 0.00 55.73 53.53 2c3u s ARG 483 Cb 0.00 -1.17 -0.09 0.00 0.52 0.00 0.00 34.95 34.21 2c3u s ARG 483 CO 0.00 -1.28 0.75 0.00 0.02 0.00 0.00 175.30 174.79 2c3u s ALA 484 N 0.74 3.31 -0.16 2.13 0.00 -1.24 -4.72 121.76 121.82 2c3u s ALA 484 Ca 0.24 0.01 0.20 0.00 0.00 0.00 0.00 51.96 52.42 2c3u s ALA 484 Cb -0.10 -2.77 -0.11 0.00 0.00 0.00 0.00 23.12 20.13 2c3u s ALA 484 CO -0.08 0.26 0.83 -0.25 0.00 0.00 0.00 175.76 176.52 2c3u n ASP 485 N -0.55 0.70 -3.69 0.00 9.92 -0.06 -1.37 116.55 121.49 2c3u n ASP 485 Ca 0.03 0.29 -0.17 0.00 -0.53 0.00 0.00 54.79 54.41 2c3u n ASP 485 Cb 0.53 0.57 -0.16 0.00 -0.64 0.00 0.00 41.12 41.41 2c3u n ASP 485 CO 0.00 0.00 0.00 -0.47 0.13 0.00 0.00 177.20 176.86 2c3u s TYR 486 N -3.16 -0.06 -0.06 1.24 5.04 -1.01 -0.90 117.35 118.43 2c3u s TYR 486 Ca -0.03 0.40 0.04 0.00 -2.44 0.00 0.00 57.07 55.04 2c3u s TYR 486 Cb 0.10 -0.32 -0.00 0.00 0.35 0.00 0.00 41.96 42.09 2c3u s TYR 486 CO 0.82 -0.20 -0.19 0.08 -1.34 0.00 0.00 175.55 174.71 2c3u s VAL 487 N 1.94 1.62 -0.05 3.14 1.01 -0.53 -1.36 120.40 126.17 2c3u s VAL 487 Ca 0.01 -0.80 0.03 0.00 0.00 0.00 0.00 61.98 61.22 2c3u s VAL 487 Cb -0.12 -1.40 0.00 0.00 0.00 0.00 0.00 36.38 34.86 2c3u s VAL 487 CO -0.04 0.46 -0.14 0.00 0.00 0.00 0.00 175.10 175.38 2c3u s ALA 488 N 0.18 1.30 -0.34 5.51 0.00 -0.33 -1.49 121.76 126.60 2c3u s ALA 488 Ca -0.09 -0.52 -0.02 0.00 0.00 0.00 0.00 51.96 51.33 2c3u s ALA 488 Cb -0.14 -0.50 0.07 0.00 0.00 0.00 0.00 23.12 22.55 2c3u s ALA 488 CO 0.04 0.19 0.07 0.00 0.00 0.00 0.00 175.76 176.06 2c3u n HIS 490 N 4.61 0.00 -3.89 0.00 8.25 0.32 -1.76 115.22 122.75 2c3u n HIS 490 Ca -0.09 0.00 -0.28 0.00 -0.26 0.00 0.00 57.72 57.08 2c3u n HIS 490 Cb 0.43 -0.21 -0.16 0.00 1.12 0.00 0.00 29.99 31.17 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 -2.56 2.95 0.55 0.41 3.04 -1.26 -4.79 114.94 113.29 2c3u s ASN 491 Ca 0.26 -0.72 0.24 0.00 0.04 0.00 0.00 52.86 52.68 2c3u s ASN 491 Cb 0.20 -0.93 1.48 0.00 -1.54 0.00 0.00 41.25 40.46 2c3u s ASN 491 CO 0.50 -0.19 2.09 1.55 -3.04 0.00 0.00 177.10 178.00 2c3u h PRO 492 N 8.10 0.00 0.00 0.43 0.13 -1.83 -2.17 132.00 136.67 2c3u h PRO 492 Ca -0.23 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.89 2c3u h PRO 492 Cb 1.11 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.24 2c3u h PRO 492 CO 0.40 0.00 -0.05 0.00 -0.23 0.00 0.00 178.00 178.12 2c3u h ALA 493 N 1.83 1.14 0.00 -0.56 0.00 -1.95 -2.75 119.26 116.96 2c3u h ALA 493 Ca 0.11 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.95 2c3u h ALA 493 Cb 0.51 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.28 2c3u h ALA 493 CO -0.00 0.06 -0.12 1.88 0.00 0.00 0.00 179.25 181.07 2c3u h TYR 494 N 0.00 0.00 -0.91 0.00 0.99 -1.81 -3.25 116.97 111.99 2c3u h TYR 494 Ca -0.00 0.00 0.10 0.00 2.00 0.00 0.00 58.73 60.83 2c3u h TYR 494 Cb 0.26 0.00 -0.07 0.00 1.00 0.00 0.00 36.73 37.92 2c3u h TYR 494 CO 0.00 0.12 0.59 0.28 -0.00 0.00 0.00 178.16 179.15 2c3u h VAL 495 N 0.00 0.95 -0.01 -2.88 2.07 -1.67 -2.21 116.25 112.51 2c3u h VAL 495 Ca -0.00 -0.31 0.00 0.00 0.82 0.00 0.00 66.70 67.21 2c3u h VAL 495 Cb 0.60 -0.02 0.00 0.00 -1.52 0.00 0.00 31.29 30.36 2c3u h VAL 495 CO 0.02 0.16 -0.23 0.61 0.02 0.00 0.00 177.57 178.15 2c3u n GLY 496 N -1.40 -0.61 0.00 2.17 0.00 -1.23 -4.57 105.19 99.55 2c3u n GLY 496 Ca 0.16 -0.39 0.00 0.00 0.00 0.00 0.00 46.02 45.79 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 -0.64 0.00 -4.32 -0.61 -5.35 -0.94 -5.08 119.36 102.42 2c3u n ILE 497 Ca 0.13 0.00 -0.30 0.00 -0.27 0.00 0.00 62.75 62.31 2c3u n ILE 497 Cb 0.34 -0.52 -0.11 0.00 -1.74 0.00 0.00 39.64 37.61 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 -1.86 2.62 -1.22 4.28 1.51 -0.88 -4.92 117.35 116.87 2c3u s TYR 498 Ca 0.00 -0.22 -0.17 0.00 -1.01 0.00 0.00 57.07 55.67 2c3u s TYR 498 Cb 0.00 -1.40 -0.02 0.00 -0.11 0.00 0.00 41.96 40.43 2c3u s TYR 498 CO 0.00 0.38 2.10 -3.47 -1.11 0.00 0.00 175.55 173.45 2c3u n ASP 499 N 0.87 3.48 0.31 2.29 2.03 -1.26 -4.74 116.55 119.53 2c3u n ASP 499 Ca -0.15 -2.79 0.19 0.00 0.52 0.00 0.00 54.79 52.56 2c3u n ASP 499 Cb 0.52 -1.49 1.01 0.00 -0.72 0.00 0.00 41.12 40.44 2c3u n ASP 499 CO 0.00 0.00 0.00 0.40 -1.92 0.00 0.00 177.20 175.68 2c3u h ILE 500 N 4.30 0.24 -0.32 5.18 2.04 -1.93 -2.97 117.51 124.06 2c3u h ILE 500 Ca 0.51 -0.13 0.00 0.00 1.00 0.00 0.00 64.86 66.24 2c3u h ILE 500 Cb 0.67 1.10 0.00 0.00 -0.74 0.00 0.00 36.82 37.85 2c3u h ILE 500 CO 1.87 0.02 0.00 0.18 0.00 0.00 0.00 178.15 180.22 2c3u n LEU 501 N -3.39 2.99 -4.61 1.44 4.32 -1.26 -4.98 117.00 111.49 2c3u n LEU 501 Ca -0.03 -1.58 -0.52 0.00 -0.02 0.00 0.00 56.01 53.86 2c3u n LEU 501 Cb 0.12 -0.20 -0.06 0.00 -1.62 0.00 0.00 43.42 41.66 2c3u n LEU 501 CO 0.24 0.67 1.00 1.21 -1.22 0.00 0.00 177.39 179.29 2c3u n GLU 502 N 1.00 1.28 -0.52 3.23 2.13 -1.12 -1.73 120.64 124.90 2c3u n GLU 502 Ca 0.14 0.46 0.00 0.00 0.66 0.00 0.00 57.16 58.43 2c3u n GLU 502 Cb 0.48 -2.13 0.00 0.00 0.27 0.00 0.00 31.44 30.06 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 2.85 1.00 3.68 8.31 0.00 -1.26 -4.78 105.19 114.99 2c3u n GLY 503 Ca 0.19 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.78 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 1.61 -1.85 -0.61 3.06 -0.71 -3.73 119.36 115.14 2c3u n ILE 504 Ca 0.00 -0.40 -0.34 0.00 -2.50 0.00 0.00 62.75 59.51 2c3u n ILE 504 Cb 0.00 -1.47 0.04 0.00 0.54 0.00 0.00 39.64 38.75 2c3u n ILE 504 CO 0.00 0.00 0.00 -0.54 -2.50 0.00 0.00 176.55 173.51 2c3u s LYS 505 N -1.30 2.86 0.30 9.51 1.02 -0.47 -4.87 119.74 126.79 2c3u s LYS 505 Ca 0.60 1.50 -0.30 0.00 0.02 0.00 0.00 55.97 57.80 2c3u s LYS 505 Cb -0.61 -1.95 -0.11 0.00 -0.52 0.00 0.00 37.83 34.64 2c3u s LYS 505 CO 0.57 -1.22 1.52 -0.51 -0.92 0.00 0.00 175.35 174.80 2c3u s ASP 506 N -2.29 6.46 0.00 2.83 -0.00 -1.26 -1.26 116.67 121.14 2c3u s ASP 506 Ca 0.70 2.88 0.00 0.00 -0.00 0.00 0.00 52.55 56.13 2c3u s ASP 506 Cb -0.23 -2.64 0.00 0.00 -0.00 0.00 0.00 42.92 40.06 2c3u s ASP 506 CO 0.38 -0.83 0.00 0.61 -0.00 0.00 0.00 175.17 175.33 2c3u n GLY 507 N 1.79 0.73 3.65 0.21 0.00 0.31 -5.01 105.19 106.87 2c3u n GLY 507 Ca 0.06 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.79 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 -0.01 -0.02 0.00 -0.39 -4.42 107.32 102.04 2c3u s GLY 508 Ca 0.00 -0.49 0.03 0.00 0.00 0.00 0.00 44.72 44.26 2c3u s GLY 508 CO 0.00 0.19 -0.07 -0.51 0.00 0.00 0.00 173.10 172.70 2c3u s THR 509 N -2.96 3.61 -0.12 0.90 -4.23 -0.08 -1.51 115.64 111.24 2c3u s THR 509 Ca 0.67 -0.74 0.00 0.00 -1.18 0.00 0.00 61.69 60.43 2c3u s THR 509 Cb -0.17 -2.55 0.02 0.00 1.34 0.00 0.00 72.50 71.14 2c3u s THR 509 CO 0.58 0.43 -0.11 0.12 -0.54 0.00 0.00 174.62 175.09 2c3u s PHE 510 N -0.96 1.79 -0.08 3.99 5.36 -0.16 -1.45 117.98 126.46 2c3u s PHE 510 Ca 0.16 -0.93 0.03 0.00 -0.96 0.00 0.00 56.93 55.23 2c3u s PHE 510 Cb -0.11 -1.38 -0.02 0.00 -0.34 0.00 0.00 43.02 41.17 2c3u s PHE 510 CO 0.06 -0.56 -0.18 0.54 -1.46 0.00 0.00 175.22 173.63 2c3u s VAL 511 N 1.51 2.72 -0.02 3.12 0.11 -0.55 -1.12 120.40 126.17 2c3u s VAL 511 Ca 0.03 -0.82 0.06 0.00 -2.93 0.00 0.00 61.98 58.32 2c3u s VAL 511 Cb -0.13 -2.07 -0.01 0.00 -1.53 0.00 0.00 36.38 32.64 2c3u s VAL 511 CO -0.08 0.56 -0.20 -0.22 -3.33 0.00 0.00 175.10 171.83 2c3u s LEU 512 N -0.21 2.03 -0.37 2.54 2.96 -0.18 -1.17 118.68 124.28 2c3u s LEU 512 Ca -0.00 -0.37 -0.14 0.00 -0.22 0.00 0.00 54.13 53.39 2c3u s LEU 512 Cb -0.13 -1.06 -0.00 0.00 0.50 0.00 0.00 46.19 45.50 2c3u s LEU 512 CO 0.03 0.24 0.28 0.21 -1.32 0.00 0.00 176.35 175.80 2c3u s ASN 513 N -0.43 6.09 0.15 3.68 3.04 -0.72 -0.93 114.94 125.83 2c3u s ASN 513 Ca 0.07 -0.61 -0.25 0.00 0.04 0.00 0.00 52.86 52.11 2c3u s ASN 513 Cb -0.08 -2.15 0.06 0.00 -1.54 0.00 0.00 41.25 37.53 2c3u s ASN 513 CO -0.00 -0.34 0.85 -0.94 -3.04 0.00 0.00 177.10 173.63 2c3u s SER 514 N 1.71 -0.27 0.00 -4.21 1.04 -0.39 -3.27 113.70 108.30 2c3u s SER 514 Ca 0.06 -0.33 0.25 0.00 0.48 0.00 0.00 55.95 56.41 2c3u s SER 514 Cb -0.18 0.53 0.65 0.00 0.10 0.00 0.00 66.02 67.12 2c3u s SER 514 CO 0.11 -0.96 1.51 -0.81 0.98 0.00 0.00 173.24 174.07 2c3u n PRO 515 N -0.42 1.99 -1.78 4.02 -0.04 -1.26 -3.03 135.00 134.49 2c3u n PRO 515 Ca -0.07 -1.47 -0.42 0.00 -0.04 0.00 0.00 63.50 61.50 2c3u n PRO 515 Cb 0.61 -1.46 -0.00 0.00 -0.04 0.00 0.00 33.50 32.61 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 0.74 3.59 -0.05 0.54 8.01 -1.26 -4.76 117.44 124.24 2c3u n TRP 516 Ca 0.17 -2.95 -0.16 0.00 -1.31 0.00 0.00 57.50 53.26 2c3u n TRP 516 Cb 0.46 -2.55 -0.06 0.00 -2.01 0.00 0.00 31.31 27.15 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 6.15 0.91 -3.95 -0.99 0.02 -1.95 -3.36 113.55 110.38 2c3u h SER 517 Ca 0.56 -0.58 -0.46 0.00 -0.84 0.00 0.00 61.79 60.48 2c3u h SER 517 Cb 0.66 -0.26 -0.02 0.00 0.14 0.00 0.00 62.40 62.91 2c3u h SER 517 CO 1.86 1.32 0.27 -0.94 -1.14 0.00 0.00 176.83 178.20 2c3u s SER 518 N -6.93 6.92 0.56 3.07 1.04 -1.26 -4.91 113.70 112.18 2c3u s SER 518 Ca -0.11 1.58 0.26 0.00 0.48 0.00 0.00 55.95 58.16 2c3u s SER 518 Cb 0.09 -2.49 1.50 0.00 0.10 0.00 0.00 66.02 65.22 2c3u s SER 518 CO 0.88 -0.30 2.05 0.25 0.98 0.00 0.00 173.24 177.11 2c3u h LEU 519 N 2.09 0.00 0.73 2.42 5.85 -1.95 -0.29 115.31 124.16 2c3u h LEU 519 Ca -0.49 0.00 -0.04 0.00 0.84 0.00 0.00 57.88 58.20 2c3u h LEU 519 Cb 1.18 0.00 0.01 0.00 0.37 0.00 0.00 40.66 42.22 2c3u h LEU 519 CO 0.62 0.00 -0.35 -0.08 -0.34 0.00 0.00 178.44 178.29 2c3u h GLU 520 N 0.00 -0.94 -0.71 1.25 4.81 -1.95 0.53 114.58 117.57 2c3u h GLU 520 Ca 0.14 0.06 -0.05 0.00 -0.13 0.00 0.00 59.36 59.39 2c3u h GLU 520 Cb 0.67 0.21 -0.03 0.00 0.63 0.00 0.00 28.75 30.23 2c3u h GLU 520 CO -0.00 -0.61 0.25 -0.44 -0.73 0.00 0.00 179.01 177.48 2c3u h ASP 521 N -1.08 1.00 -0.89 1.04 3.45 -1.65 -2.27 116.42 116.02 2c3u h ASP 521 Ca -0.10 -0.19 0.01 0.00 0.43 0.00 0.00 57.03 57.18 2c3u h ASP 521 Cb 0.77 -0.26 -0.05 0.00 -0.56 0.00 0.00 39.33 39.23 2c3u h ASP 521 CO 0.16 0.93 0.59 -0.03 -1.57 0.00 0.00 179.24 179.32 2c3u h MET 522 N 1.03 1.16 -0.30 3.56 4.05 -1.05 -1.53 114.93 121.84 2c3u h MET 522 Ca 0.23 -0.07 -0.06 0.00 -0.28 0.00 0.00 59.70 59.52 2c3u h MET 522 Cb 0.26 -0.26 -0.02 0.00 -0.80 0.00 0.00 31.60 30.78 2c3u h MET 522 CO -0.01 0.76 -0.08 -0.44 0.23 0.00 0.00 176.91 177.37 2c3u h ASP 523 N 1.19 0.47 0.72 1.39 3.45 -0.34 -2.03 116.42 121.26 2c3u h ASP 523 Ca 0.33 -0.11 -0.18 0.00 0.43 0.00 0.00 57.03 57.50 2c3u h ASP 523 Cb -0.11 -0.12 -0.02 0.00 -0.56 0.00 0.00 39.33 38.52 2c3u h ASP 523 CO -0.08 0.60 -0.84 0.50 -1.57 0.00 0.00 179.24 177.85 2c3u h LYS 524 N 0.46 0.08 0.00 3.56 3.64 -0.78 -3.37 116.57 120.17 2c3u h LYS 524 Ca 0.09 -0.09 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 2c3u h LYS 524 Cb 0.43 0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.28 2c3u h LYS 524 CO 0.02 0.87 -1.00 0.72 -2.27 0.00 0.00 179.45 177.80 2c3u n HIS 525 N -3.61 0.00 -3.39 1.91 8.25 -0.75 -4.96 115.22 112.68 2c3u n HIS 525 Ca -0.02 0.00 -0.37 0.00 -0.26 0.00 0.00 57.72 57.07 2c3u n HIS 525 Cb 0.79 -0.10 -0.07 0.00 1.12 0.00 0.00 29.99 31.74 2c3u n HIS 525 CO 0.00 0.00 0.00 -1.17 0.64 0.00 0.00 176.34 175.81 2c3u s LEU 526 N -3.10 4.24 0.53 2.41 2.96 -0.77 -4.85 118.68 120.10 2c3u s LEU 526 Ca 0.03 0.68 -0.22 0.00 -0.22 0.00 0.00 54.13 54.40 2c3u s LEU 526 Cb 0.11 -2.57 -0.05 0.00 0.50 0.00 0.00 46.19 44.18 2c3u s LEU 526 CO 0.65 0.01 1.27 -2.84 -1.32 0.00 0.00 176.35 174.12 2c3u s PRO 527 N 0.71 3.31 0.35 0.98 0.02 -1.26 -4.84 135.00 134.26 2c3u s PRO 527 Ca 0.22 2.00 0.10 0.00 0.02 0.00 0.00 61.00 63.34 2c3u s PRO 527 Cb -0.14 -2.24 0.85 0.00 0.02 0.00 0.00 34.50 32.98 2c3u s PRO 527 CO 0.08 -0.99 1.82 0.66 -0.33 0.00 0.00 177.00 178.24 2c3u h SER 528 N 1.54 0.66 0.09 2.53 4.64 -1.90 -1.81 113.55 119.30 2c3u h SER 528 Ca -0.50 0.07 0.00 0.00 -0.47 0.00 0.00 61.79 60.88 2c3u h SER 528 Cb 1.28 -0.06 -0.01 0.00 -0.31 0.00 0.00 62.40 63.31 2c3u h SER 528 CO 0.58 0.27 -0.07 1.23 -0.87 0.00 0.00 176.83 177.97 2c3u h GLY 529 N 0.66 -0.16 0.99 -0.77 0.00 -1.91 -0.97 103.07 100.91 2c3u h GLY 529 Ca 0.52 0.08 0.00 0.00 0.00 0.00 0.00 47.33 47.93 2c3u h GLY 529 CO -0.28 -0.08 0.14 -2.22 0.00 0.00 0.00 176.54 174.11 2c3u h ILE 530 N -0.17 1.07 -0.25 2.60 5.03 -1.74 -1.79 117.51 122.27 2c3u h ILE 530 Ca -0.00 -0.16 0.06 0.00 -0.12 0.00 0.00 64.86 64.64 2c3u h ILE 530 Cb 0.16 0.78 -0.07 0.00 -3.03 0.00 0.00 36.82 34.65 2c3u h ILE 530 CO -0.01 0.07 -0.26 0.11 -0.68 0.00 0.00 178.15 177.39 2c3u h LYS 531 N 0.29 -0.25 -0.69 2.37 1.57 -1.14 0.95 116.57 119.67 2c3u h LYS 531 Ca 0.08 0.02 0.02 0.00 -1.87 0.00 0.00 60.65 58.90 2c3u h LYS 531 Cb -0.01 0.06 -0.04 0.00 0.08 0.00 0.00 32.23 32.33 2c3u h LYS 531 CO -0.02 -0.17 0.46 0.00 -0.57 0.00 0.00 179.45 179.15 2c3u h ARG 532 N -0.26 0.87 -0.14 3.15 3.08 -0.95 -0.99 114.38 119.12 2c3u h ARG 532 Ca 0.14 -0.05 -0.04 0.00 0.07 0.00 0.00 59.98 60.09 2c3u h ARG 532 Cb 0.48 -0.20 -0.00 0.00 0.08 0.00 0.00 29.97 30.33 2c3u h ARG 532 CO -0.40 0.57 -0.07 1.15 -1.07 0.00 0.00 179.97 180.16 2c3u h THR 533 N 0.89 1.31 -0.34 2.04 2.02 -0.36 0.40 112.91 118.86 2c3u h THR 533 Ca 0.26 -1.10 0.02 0.00 0.77 0.00 0.00 66.41 66.37 2c3u h THR 533 Cb -0.04 1.74 -0.03 0.00 -1.74 0.00 0.00 68.15 68.08 2c3u h THR 533 CO -0.06 0.32 0.17 0.40 0.37 0.00 0.00 175.52 176.72 2c3u h ILE 534 N -0.03 0.98 0.09 3.11 2.04 -0.44 -1.39 117.51 121.87 2c3u h ILE 534 Ca 0.03 -0.12 -0.00 0.00 1.00 0.00 0.00 64.86 65.77 2c3u h ILE 534 Cb 0.53 0.60 0.00 0.00 -0.74 0.00 0.00 36.82 37.21 2c3u h ILE 534 CO 0.02 0.06 -0.04 0.00 0.00 0.00 0.00 178.15 178.19 2c3u h ALA 535 N 1.18 -0.12 0.00 1.87 0.00 -1.14 -1.99 119.26 119.06 2c3u h ALA 535 Ca 0.14 -0.25 -0.00 0.00 0.00 0.00 0.00 54.91 54.80 2c3u h ALA 535 Cb 0.06 0.05 -0.00 0.00 0.00 0.00 0.00 17.79 17.89 2c3u h ALA 535 CO -0.10 -0.28 -0.02 -0.91 0.00 0.00 0.00 179.25 177.93 2c3u h ASN 536 N -0.69 0.00 -0.41 0.00 -0.26 -0.19 -1.95 115.58 112.08 2c3u h ASN 536 Ca -0.01 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.73 2c3u h ASN 536 Cb 0.55 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.81 2c3u h ASN 536 CO 0.02 0.02 0.00 0.29 -1.06 0.00 0.00 177.43 176.70 2c3u n LYS 537 N -3.82 2.42 -3.92 0.81 5.02 -0.53 -4.97 118.16 113.16 2c3u n LYS 537 Ca -0.03 -2.19 -0.29 0.00 -2.02 0.00 0.00 58.31 53.78 2c3u n LYS 537 Cb 0.11 -1.43 0.02 0.00 -0.02 0.00 0.00 35.03 33.70 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 1.20 -5.02 -2.16 1.97 5.02 -0.73 -0.53 118.16 117.92 2c3u n LYS 538 Ca 0.17 0.56 -0.33 0.00 -2.02 0.00 0.00 58.31 56.69 2c3u n LYS 538 Cb 0.53 -5.33 0.00 0.00 -0.02 0.00 0.00 35.03 30.21 2c3u n LYS 538 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2c3u s LEU 539 N -7.17 3.58 -0.54 -0.35 1.43 -0.77 -3.73 118.68 111.12 2c3u s LEU 539 Ca 0.53 1.85 -0.21 0.00 -1.03 0.00 0.00 54.13 55.26 2c3u s LEU 539 Cb -0.27 -4.54 0.05 0.00 0.03 0.00 0.00 46.19 41.47 2c3u s LEU 539 CO 0.84 -1.08 0.77 -0.54 0.23 0.00 0.00 176.35 176.58 2c3u s LYS 540 N -3.88 3.20 -0.15 1.70 1.02 -0.57 -4.94 119.74 116.11 2c3u s LYS 540 Ca 0.65 -0.67 -0.10 0.00 0.02 0.00 0.00 55.97 55.86 2c3u s LYS 540 Cb -0.16 -4.10 -0.05 0.00 -0.52 0.00 0.00 37.83 33.00 2c3u s LYS 540 CO 0.33 -1.38 0.19 0.12 -0.92 0.00 0.00 175.35 173.68 2c3u s PHE 541 N 3.24 3.50 -0.04 3.18 5.36 -1.26 -0.99 117.98 130.97 2c3u s PHE 541 Ca 0.21 0.49 0.02 0.00 -0.96 0.00 0.00 56.93 56.69 2c3u s PHE 541 Cb -0.17 -2.14 0.01 0.00 -0.34 0.00 0.00 43.02 40.38 2c3u s PHE 541 CO 0.14 0.44 -0.08 0.71 -1.46 0.00 0.00 175.22 174.96 2c3u s TYR 542 N -0.13 1.01 -0.07 10.12 1.51 -0.27 0.66 117.35 130.17 2c3u s TYR 542 Ca 0.13 -0.29 0.02 0.00 -1.01 0.00 0.00 57.07 55.92 2c3u s TYR 542 Cb -0.12 -0.76 -0.02 0.00 -0.11 0.00 0.00 41.96 40.94 2c3u s TYR 542 CO 0.02 -0.16 -0.14 1.21 -1.11 0.00 0.00 175.55 175.37 2c3u s ASN 543 N 0.50 4.05 -0.04 2.29 2.47 -1.26 -1.01 114.94 121.94 2c3u s ASN 543 Ca -0.08 -0.22 0.00 0.00 0.42 0.00 0.00 52.86 52.98 2c3u s ASN 543 Cb -0.12 -1.06 0.03 0.00 -1.45 0.00 0.00 41.25 38.64 2c3u s ASN 543 CO 0.01 0.30 -0.00 -0.51 -3.72 0.00 0.00 177.10 173.18 2c3u s ILE 544 N -0.45 0.22 -1.25 -5.21 1.10 -0.10 -4.82 121.20 110.69 2c3u s ILE 544 Ca 0.06 0.09 -0.13 0.00 -0.51 0.00 0.00 60.65 60.15 2c3u s ILE 544 Cb -0.12 -0.33 0.15 0.00 0.15 0.00 0.00 42.46 42.31 2c3u s ILE 544 CO 0.02 0.17 1.61 -0.67 -2.11 0.00 0.00 174.94 173.95 2c3u n ASP 545 N 4.32 5.10 -0.33 4.50 -0.08 -1.17 -1.26 116.55 127.64 2c3u n ASP 545 Ca -0.22 -2.99 0.01 0.00 -1.51 0.00 0.00 54.79 50.07 2c3u n ASP 545 Cb 0.50 -1.58 0.15 0.00 2.34 0.00 0.00 41.12 42.53 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 6.85 1.24 -0.33 -1.67 0.00 -1.92 -2.04 119.26 121.38 2c3u h ALA 546 Ca 0.36 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.26 2c3u h ALA 546 Cb 0.81 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.33 2c3u h ALA 546 CO 1.38 0.33 0.21 0.28 0.00 0.00 0.00 179.25 181.45 2c3u h VAL 547 N 1.04 1.10 -0.01 0.00 2.07 -1.88 -0.88 116.25 117.68 2c3u h VAL 547 Ca 0.39 -0.20 -0.00 0.00 0.82 0.00 0.00 66.70 67.71 2c3u h VAL 547 Cb 0.16 0.64 -0.00 0.00 -1.52 0.00 0.00 31.29 30.57 2c3u h VAL 547 CO -0.17 0.09 0.01 0.50 0.02 0.00 0.00 177.57 178.02 2c3u h LYS 548 N 0.44 0.02 -0.72 1.57 3.64 -1.83 -1.13 116.57 118.56 2c3u h LYS 548 Ca 0.12 -0.00 0.03 0.00 -1.27 0.00 0.00 60.65 59.53 2c3u h LYS 548 Cb -0.03 -0.00 -0.05 0.00 -0.41 0.00 0.00 32.23 31.74 2c3u h LYS 548 CO -0.02 0.11 0.45 0.82 -2.27 0.00 0.00 179.45 178.54 2c3u h ILE 549 N -0.08 1.09 -0.48 2.00 2.04 -1.26 -0.19 117.51 120.63 2c3u h ILE 549 Ca 0.00 -0.30 -0.02 0.00 1.00 0.00 0.00 64.86 65.55 2c3u h ILE 549 Cb 0.10 0.14 -0.02 0.00 -0.74 0.00 0.00 36.82 36.30 2c3u h ILE 549 CO -0.00 0.16 0.22 0.00 0.00 0.00 0.00 178.15 178.53 2c3u h ALA 550 N 1.31 0.63 -0.26 1.87 0.00 -1.01 -1.97 119.26 119.83 2c3u h ALA 550 Ca 0.29 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 55.07 2c3u h ALA 550 Cb 0.04 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 2c3u h ALA 550 CO -0.12 0.21 0.16 1.15 0.00 0.00 0.00 179.25 180.65 2c3u h THR 551 N 0.64 1.08 -0.68 0.00 2.02 -0.72 0.16 112.91 115.40 2c3u h THR 551 Ca 0.16 -0.16 -0.00 0.00 0.77 0.00 0.00 66.41 67.18 2c3u h THR 551 Cb 0.15 0.73 -0.03 0.00 -1.74 0.00 0.00 68.15 67.25 2c3u h THR 551 CO -0.02 0.08 0.41 0.44 0.37 0.00 0.00 175.52 176.80 2c3u h ASP 552 N 0.34 0.81 -0.03 4.18 3.32 -0.82 -2.26 116.42 121.96 2c3u h ASP 552 Ca 0.09 -0.04 0.00 0.00 0.02 0.00 0.00 57.03 57.10 2c3u h ASP 552 Cb -0.02 -0.20 0.00 0.00 0.22 0.00 0.00 39.33 39.33 2c3u h ASP 552 CO -0.02 0.63 0.00 1.33 -1.72 0.00 0.00 179.24 179.46 2c3u n VAL 553 N -4.40 0.02 -0.17 -1.35 0.24 -0.76 -4.92 118.33 107.00 2c3u n VAL 553 Ca 0.07 -0.19 0.00 0.00 -2.04 0.00 0.00 64.34 62.18 2c3u n VAL 553 Cb 0.07 0.22 0.00 0.00 -1.47 0.00 0.00 33.84 32.66 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 1.11 0.82 0.51 7.63 0.00 -0.85 -4.75 105.19 109.67 2c3u n GLY 554 Ca 0.20 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.28 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 1.50 -3.89 0.99 4.77 0.50 -4.95 117.00 115.92 2c3u n LEU 555 Ca 0.00 -0.72 -0.24 0.00 -0.03 0.00 0.00 56.01 55.02 2c3u n LEU 555 Cb 0.00 -0.17 -0.01 0.00 -2.33 0.00 0.00 43.42 40.92 2c3u n LEU 555 CO 0.00 0.36 -0.18 0.61 -1.33 0.00 0.00 177.39 176.85 2c3u n GLY 556 N 0.99 -0.25 2.35 -0.72 0.00 -1.20 -2.69 105.19 103.66 2c3u n GLY 556 Ca 0.11 0.14 0.00 0.00 0.00 0.00 0.00 46.02 46.27 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 -1.86 2.66 3.68 -0.02 0.00 -1.26 -4.87 105.19 103.52 2c3u n GLY 557 Ca -0.30 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.30 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 -0.34 4.19 0.00 1.61 1.81 -1.09 -4.59 118.95 120.53 2c3u s ARG 558 Ca 0.00 2.31 0.23 0.00 -1.72 0.00 0.00 55.73 56.56 2c3u s ARG 558 Cb 0.00 -3.72 0.16 0.00 -0.45 0.00 0.00 34.95 30.93 2c3u s ARG 558 CO 0.00 -0.77 1.17 0.44 -0.68 0.00 0.00 175.30 175.46 2c3u n ILE 559 N 4.95 0.00 -0.14 1.52 -5.35 -1.26 -4.62 119.36 114.46 2c3u n ILE 559 Ca 0.16 -0.03 -0.04 0.00 -0.27 0.00 0.00 62.75 62.57 2c3u n ILE 559 Cb 0.41 0.67 0.02 0.00 -1.74 0.00 0.00 39.64 39.01 2c3u n ILE 559 CO 0.00 0.00 0.00 -0.55 -1.76 0.00 0.00 176.55 174.24 2c3u h ASN 560 N 0.29 -0.61 -0.13 7.28 7.08 -1.91 -0.28 115.58 127.31 2c3u h ASN 560 Ca 0.00 0.16 -0.07 0.00 -3.08 0.00 0.00 56.30 53.31 2c3u h ASN 560 Cb 0.52 0.35 -0.02 0.00 -2.08 0.00 0.00 38.32 37.10 2c3u h ASN 560 CO 0.00 -0.21 -0.12 -0.03 -2.08 0.00 0.00 177.43 174.99 2c3u h MET 561 N -0.07 0.48 -0.05 4.14 4.05 -1.93 -0.88 114.93 120.66 2c3u h MET 561 Ca 0.22 -0.13 -0.00 0.00 -0.28 0.00 0.00 59.70 59.50 2c3u h MET 561 Cb 0.41 -0.05 -0.00 0.00 -0.80 0.00 0.00 31.60 31.16 2c3u h MET 561 CO -0.51 0.60 0.02 0.82 0.23 0.00 0.00 176.91 178.07 2c3u h ILE 562 N 0.44 1.15 0.00 1.77 1.08 -1.46 -2.09 117.51 118.40 2c3u h ILE 562 Ca 0.08 -0.45 -0.06 0.00 -0.39 0.00 0.00 64.86 64.04 2c3u h ILE 562 Cb 0.48 1.36 -0.01 0.00 -3.07 0.00 0.00 36.82 35.58 2c3u h ILE 562 CO 0.03 0.13 -0.30 0.24 -0.69 0.00 0.00 178.15 177.55 2c3u h MET 563 N -0.09 0.00 -0.57 2.37 2.86 -0.90 -2.38 114.93 116.22 2c3u h MET 563 Ca 0.02 0.00 -0.08 0.00 -2.06 0.00 0.00 59.70 57.58 2c3u h MET 563 Cb 0.18 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.82 2c3u h MET 563 CO -0.00 0.30 0.05 0.37 1.06 0.00 0.00 176.91 178.69 2c3u h GLN 564 N 0.00 0.95 -0.17 1.72 5.75 -0.94 -2.32 115.11 120.09 2c3u h GLN 564 Ca -0.00 -0.25 -0.13 0.00 -0.15 0.00 0.00 58.65 58.11 2c3u h GLN 564 Cb 0.77 -0.11 -0.01 0.00 1.07 0.00 0.00 27.48 29.20 2c3u h GLN 564 CO 0.04 0.91 -0.44 1.15 -2.65 0.00 0.00 178.83 177.83 2c3u h THR 565 N 0.89 1.32 -0.75 2.39 2.02 -0.90 -2.01 112.91 115.86 2c3u h THR 565 Ca 0.17 -1.62 -0.02 0.00 0.77 0.00 0.00 66.41 65.72 2c3u h THR 565 Cb 0.45 1.67 -0.04 0.00 -1.74 0.00 0.00 68.15 68.49 2c3u h THR 565 CO 0.02 0.50 0.41 0.00 0.37 0.00 0.00 175.52 176.81 2c3u h ALA 566 N 1.19 0.97 0.26 6.16 0.00 -0.98 -0.72 119.26 126.13 2c3u h ALA 566 Ca 0.02 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.80 2c3u h ALA 566 Cb 0.91 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 18.41 2c3u h ALA 566 CO 0.08 0.48 -0.12 0.35 0.00 0.00 0.00 179.25 180.04 2c3u h PHE 567 N 1.04 -0.32 -0.61 0.00 3.57 -1.20 0.89 116.94 120.31 2c3u h PHE 567 Ca 0.26 -0.01 0.04 0.00 3.53 0.00 0.00 57.97 61.79 2c3u h PHE 567 Cb 0.04 0.11 -0.03 0.00 2.79 0.00 0.00 35.95 38.85 2c3u h PHE 567 CO 0.00 -0.02 0.41 0.74 -2.23 0.00 0.00 178.31 177.20 2c3u h PHE 568 N -0.61 0.68 0.15 0.41 0.04 -1.24 0.54 116.94 116.91 2c3u h PHE 568 Ca -0.04 0.02 -0.30 0.00 2.80 0.00 0.00 57.97 60.45 2c3u h PHE 568 Cb 0.44 -0.23 0.01 0.00 2.20 0.00 0.00 35.95 38.37 2c3u h PHE 568 CO 0.01 0.39 -1.43 -0.22 -0.60 0.00 0.00 178.31 176.47 2c3u h LYS 569 N 0.70 0.32 0.00 1.51 3.64 -1.08 -3.42 116.57 118.24 2c3u h LYS 569 Ca 0.25 -0.54 -0.02 0.00 -1.27 0.00 0.00 60.65 59.07 2c3u h LYS 569 Cb 0.11 0.20 -0.00 0.00 -0.41 0.00 0.00 32.23 32.13 2c3u h LYS 569 CO -0.07 1.22 -1.58 1.28 -2.27 0.00 0.00 179.45 178.03 2c3u n LEU 570 N -3.53 0.00 0.20 5.20 4.32 0.30 -4.63 117.00 118.86 2c3u n LEU 570 Ca -0.14 0.00 0.15 0.00 -0.02 0.00 0.00 56.01 56.00 2c3u n LEU 570 Cb 1.05 0.03 0.77 0.00 -1.62 0.00 0.00 43.42 43.64 2c3u n LEU 570 CO 0.54 0.03 1.13 0.00 -1.22 0.00 0.00 177.39 177.86 2c3u h ALA 571 N 1.07 1.93 0.00 -1.18 0.00 -1.03 -3.46 119.26 116.59 2c3u h ALA 571 Ca -0.03 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.88 2c3u h ALA 571 Cb 0.67 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.47 2c3u h ALA 571 CO 0.00 -0.21 0.00 0.41 0.00 0.00 0.00 179.25 179.45 2c3u n GLY 572 N -1.47 0.48 0.09 0.00 0.00 -1.26 -4.85 105.19 98.17 2c3u n GLY 572 Ca 0.01 -0.93 -0.09 0.00 0.00 0.00 0.00 46.02 45.01 2c3u n GLY 572 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2c3u n VAL 573 N -3.08 1.53 -4.33 1.61 0.24 -1.26 -4.94 118.33 108.10 2c3u n VAL 573 Ca 0.00 -0.82 -0.22 0.00 -2.04 0.00 0.00 64.34 61.26 2c3u n VAL 573 Cb 0.11 -0.83 -0.13 0.00 -1.47 0.00 0.00 33.84 31.52 2c3u n VAL 573 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 2c3u s LEU 574 N -5.88 2.26 0.59 1.34 1.43 -1.26 -5.12 118.68 112.04 2c3u s LEU 574 Ca -0.07 -0.61 -0.18 0.00 -1.03 0.00 0.00 54.13 52.24 2c3u s LEU 574 Cb 0.07 -0.78 -0.04 0.00 0.03 0.00 0.00 46.19 45.48 2c3u s LEU 574 CO 0.83 0.04 1.14 -2.16 0.23 0.00 0.00 176.35 176.42 2c3u s PRO 575 N -1.65 3.12 0.16 1.29 0.04 -1.26 -4.72 135.00 131.99 2c3u s PRO 575 Ca 0.04 1.59 -0.29 0.00 0.04 0.00 0.00 61.00 62.38 2c3u s PRO 575 Cb -0.10 -1.98 -0.02 0.00 0.04 0.00 0.00 34.50 32.45 2c3u s PRO 575 CO 0.03 -1.03 1.55 0.35 0.04 0.00 0.00 177.00 177.94 2c3u h PHE 576 N 0.81 -1.67 -0.85 0.56 3.04 -1.92 0.15 116.94 117.07 2c3u h PHE 576 Ca -0.49 0.11 0.03 0.00 3.98 0.00 0.00 57.97 61.60 2c3u h PHE 576 Cb 1.26 0.84 -0.05 0.00 2.56 0.00 0.00 35.95 40.56 2c3u h PHE 576 CO 0.51 -0.41 0.55 0.93 -2.02 0.00 0.00 178.31 177.87 2c3u h GLU 577 N -0.12 1.03 -0.42 1.11 5.08 -1.99 -1.42 114.58 117.85 2c3u h GLU 577 Ca 0.17 -0.06 -0.15 0.00 -1.00 0.00 0.00 59.36 58.32 2c3u h GLU 577 Cb 0.50 -0.23 -0.01 0.00 0.50 0.00 0.00 28.75 29.50 2c3u h GLU 577 CO -0.84 0.68 -0.31 -0.22 -1.00 0.00 0.00 179.01 177.32 2c3u h LYS 578 N 1.07 0.94 -0.22 2.33 3.64 -1.81 -1.97 116.57 120.54 2c3u h LYS 578 Ca 0.34 -0.45 0.04 0.00 -1.27 0.00 0.00 60.65 59.30 2c3u h LYS 578 Cb 0.00 -0.01 -0.04 0.00 -0.41 0.00 0.00 32.23 31.78 2c3u h LYS 578 CO -0.11 1.11 -0.02 0.00 -2.27 0.00 0.00 179.45 178.17 2c3u h ALA 579 N 0.84 0.18 -0.34 5.00 0.00 -0.37 0.58 119.26 125.15 2c3u h ALA 579 Ca 0.08 0.07 -0.08 0.00 0.00 0.00 0.00 54.91 54.98 2c3u h ALA 579 Cb 0.89 0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.80 2c3u h ALA 579 CO 0.08 -0.44 -0.12 0.28 0.00 0.00 0.00 179.25 179.06 2c3u h VAL 580 N 0.05 1.28 0.16 0.00 2.07 -1.26 -2.29 116.25 116.27 2c3u h VAL 580 Ca 0.11 -1.20 0.02 0.00 0.82 0.00 0.00 66.70 66.44 2c3u h VAL 580 Cb 0.14 1.36 -0.04 0.00 -1.52 0.00 0.00 31.29 31.23 2c3u h VAL 580 CO -0.19 0.39 -0.41 -0.78 0.02 0.00 0.00 177.57 176.60 2c3u h ASP 581 N 0.46 -1.19 -0.59 0.57 -0.00 -0.98 -0.06 116.42 114.63 2c3u h ASP 581 Ca 0.08 0.13 0.10 0.00 -0.00 0.00 0.00 57.03 57.34 2c3u h ASP 581 Cb 0.63 0.44 -0.04 0.00 -0.00 0.00 0.00 39.33 40.37 2c3u h ASP 581 CO 0.04 -0.49 0.40 -0.07 -0.00 0.00 0.00 179.24 179.12 2c3u h LEU 582 N -0.67 0.34 0.03 2.28 4.07 -0.89 -0.07 115.31 120.41 2c3u h LEU 582 Ca 0.01 0.01 -0.00 0.00 0.08 0.00 0.00 57.88 57.98 2c3u h LEU 582 Cb 0.68 -0.06 0.00 0.00 1.08 0.00 0.00 40.66 42.36 2c3u h LEU 582 CO -0.21 0.20 -0.02 0.25 -1.08 0.00 0.00 178.44 177.58 2c3u h LEU 583 N 0.38 -0.04 -0.99 1.67 6.46 -0.75 -2.39 115.31 119.65 2c3u h LEU 583 Ca 0.28 -0.54 0.03 0.00 -0.12 0.00 0.00 57.88 57.53 2c3u h LEU 583 Cb 0.58 0.01 -0.06 0.00 -0.73 0.00 0.00 40.66 40.46 2c3u h LEU 583 CO -0.07 0.54 0.64 0.11 -0.62 0.00 0.00 178.44 179.04 2c3u h LYS 584 N -0.64 1.22 0.56 1.25 1.79 -0.72 -1.87 116.57 118.15 2c3u h LYS 584 Ca -0.00 -0.07 -0.02 0.00 -2.18 0.00 0.00 60.65 58.37 2c3u h LYS 584 Cb 0.58 -0.27 -0.01 0.00 -1.58 0.00 0.00 32.23 30.94 2c3u h LYS 584 CO 0.01 0.81 -0.46 0.87 -1.08 0.00 0.00 179.45 179.59 2c3u h LYS 585 N 1.25 -0.95 -0.80 3.15 1.79 -1.00 -2.64 116.57 117.36 2c3u h LYS 585 Ca 0.39 0.07 0.18 0.00 -2.18 0.00 0.00 60.65 59.10 2c3u h LYS 585 Cb -0.01 0.22 -0.05 0.00 -1.58 0.00 0.00 32.23 30.80 2c3u h LYS 585 CO -0.12 -0.64 0.54 0.66 -1.08 0.00 0.00 179.45 178.81 2c3u h SER 586 N -0.99 0.33 -0.75 0.86 4.64 -1.17 0.28 113.55 116.74 2c3u h SER 586 Ca -0.07 0.03 -0.03 0.00 -0.47 0.00 0.00 61.79 61.25 2c3u h SER 586 Cb 0.83 -0.04 -0.04 0.00 -0.31 0.00 0.00 62.40 62.85 2c3u h SER 586 CO -0.00 0.15 0.38 0.40 -0.87 0.00 0.00 176.83 176.89 2c3u h ILE 587 N 0.34 1.24 -0.17 0.95 2.04 -0.99 0.97 117.51 121.89 2c3u h ILE 587 Ca 0.40 -0.66 -0.20 0.00 1.00 0.00 0.00 64.86 65.40 2c3u h ILE 587 Cb 1.06 0.25 0.00 0.00 -0.74 0.00 0.00 36.82 37.39 2c3u h ILE 587 CO -0.12 0.28 -0.71 0.45 0.00 0.00 0.00 178.15 178.05 2c3u h HIS 588 N 1.09 0.95 0.00 1.37 3.86 -0.74 -3.31 115.15 118.37 2c3u h HIS 588 Ca 0.27 -0.40 0.00 0.00 -1.16 0.00 0.00 60.37 59.08 2c3u h HIS 588 Cb 0.09 -0.16 0.00 0.00 1.06 0.00 0.00 27.41 28.41 2c3u h HIS 588 CO 0.01 1.21 0.00 1.17 0.86 0.00 0.00 177.93 181.18 2c3u n LYS 589 N -3.93 0.00 -0.25 2.45 4.81 -0.67 -4.17 118.16 116.39 2c3u n LYS 589 Ca -0.06 0.50 -0.11 0.00 -0.87 0.00 0.00 58.31 57.77 2c3u n LYS 589 Cb 0.71 -1.40 0.09 0.00 0.02 0.00 0.00 35.03 34.46 2c3u n LYS 589 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2c3u n ALA 590 N -1.87 -1.47 -0.10 3.14 0.00 0.28 -4.67 120.51 115.84 2c3u n ALA 590 Ca 0.00 -0.56 0.00 0.00 0.00 0.00 0.00 53.44 52.88 2c3u n ALA 590 Cb 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 19.45 19.41 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 -3.60 0.00 -0.75 0.00 4.01 -1.25 -4.62 117.16 110.95 2c3u n TYR 591 Ca 0.05 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.79 2c3u n TYR 591 Cb 0.21 0.01 0.00 0.00 -0.31 0.00 0.00 39.34 39.25 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 0.13 2.72 0.00 -1.26 -4.70 105.19 102.08 2c3u n GLY 592 Ca 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.80 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 0.28 -2.17 1.61 5.09 -1.89 -3.38 116.57 116.12 2c3u h LYS 593 Ca 0.00 -0.48 -0.72 0.00 0.09 0.00 0.00 60.65 59.54 2c3u h LYS 593 Cb 0.67 0.18 -0.33 0.00 0.10 0.00 0.00 32.23 32.85 2c3u h LYS 593 CO 0.00 1.23 0.41 1.63 -2.09 0.00 0.00 179.45 180.63 2c3u n LYS 594 N -3.82 4.27 -0.55 0.07 5.02 -1.26 -5.04 118.16 116.85 2c3u n LYS 594 Ca -0.26 -4.55 0.07 0.00 -2.02 0.00 0.00 58.31 51.56 2c3u n LYS 594 Cb 0.95 -2.36 -0.02 0.00 -0.02 0.00 0.00 35.03 33.58 2c3u n LYS 594 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2c3u n GLY 595 N -0.22 -1.94 0.10 0.72 0.00 -1.26 -4.00 105.19 98.59 2c3u n GLY 595 Ca 0.43 -1.31 0.12 0.00 0.00 0.00 0.00 46.02 45.26 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 -2.23 0.21 0.30 1.61 -0.58 -1.26 -3.53 120.64 115.16 2c3u n GLU 596 Ca 0.00 0.27 -0.16 0.00 -0.42 0.00 0.00 57.16 56.86 2c3u n GLU 596 Cb 0.25 -1.79 -0.08 0.00 -0.57 0.00 0.00 31.44 29.24 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 0.00 -0.72 -0.67 3.49 3.64 -1.99 0.56 116.57 120.88 2c3u h LYS 597 Ca 0.00 0.05 -0.04 0.00 -1.27 0.00 0.00 60.65 59.38 2c3u h LYS 597 Cb 0.56 0.16 -0.03 0.00 -0.41 0.00 0.00 32.23 32.52 2c3u h LYS 597 CO 0.00 -0.43 0.24 0.82 -2.27 0.00 0.00 179.45 177.81 2c3u h ILE 598 N -0.85 1.24 0.40 2.00 1.08 -1.69 -0.63 117.51 119.05 2c3u h ILE 598 Ca -0.08 -0.79 -0.02 0.00 -0.39 0.00 0.00 64.86 63.59 2c3u h ILE 598 Cb 0.61 0.46 0.00 0.00 -3.07 0.00 0.00 36.82 34.83 2c3u h ILE 598 CO 0.12 0.31 -0.19 0.58 -0.69 0.00 0.00 178.15 178.28 2c3u h VAL 599 N 0.98 0.61 -0.84 1.67 2.07 -1.56 -1.93 116.25 117.25 2c3u h VAL 599 Ca 0.22 -0.14 0.11 0.00 0.82 0.00 0.00 66.70 67.71 2c3u h VAL 599 Cb 0.23 0.68 -0.08 0.00 -1.52 0.00 0.00 31.29 30.60 2c3u h VAL 599 CO -0.01 0.03 0.48 0.50 0.02 0.00 0.00 177.57 178.58 2c3u h LYS 600 N -0.62 0.75 -0.64 1.57 1.63 0.32 0.23 116.57 119.81 2c3u h LYS 600 Ca -0.05 -0.05 0.03 0.00 -0.85 0.00 0.00 60.65 59.73 2c3u h LYS 600 Cb 0.46 -0.17 -0.04 0.00 -0.60 0.00 0.00 32.23 31.87 2c3u h LYS 600 CO 0.09 0.50 0.39 0.52 -3.45 0.00 0.00 179.45 177.50 2c3u h MET 601 N 0.78 0.74 0.00 1.90 2.86 -0.83 0.17 114.93 120.55 2c3u h MET 601 Ca 0.42 -0.04 -0.12 0.00 -2.06 0.00 0.00 59.70 57.89 2c3u h MET 601 Cb 0.42 -0.17 -0.02 0.00 0.06 0.00 0.00 31.60 31.90 2c3u h MET 601 CO -0.27 0.49 -0.58 -0.91 1.06 0.00 0.00 176.91 176.70 2c3u h ASN 602 N 0.76 0.00 -0.38 1.22 4.21 -0.44 -1.52 115.58 119.43 2c3u h ASN 602 Ca 0.26 0.00 -0.16 0.00 1.21 0.00 0.00 56.30 57.62 2c3u h ASN 602 Cb 0.05 0.00 -0.01 0.00 -1.12 0.00 0.00 38.32 37.24 2c3u h ASN 602 CO -0.12 0.58 -0.38 0.74 -1.29 0.00 0.00 177.43 176.97 2c3u h THR 603 N 0.00 1.27 -0.37 2.81 2.02 0.17 -2.46 112.91 116.36 2c3u h THR 603 Ca -0.01 -1.55 -0.13 0.00 0.77 0.00 0.00 66.41 65.50 2c3u h THR 603 Cb 1.09 1.36 -0.01 0.00 -1.74 0.00 0.00 68.15 68.85 2c3u h THR 603 CO 0.08 0.52 -0.29 0.44 0.37 0.00 0.00 175.52 176.64 2c3u h ASP 604 N 0.77 0.80 -0.36 4.18 3.45 -0.54 -2.03 116.42 122.69 2c3u h ASP 604 Ca 0.06 -0.32 -0.01 0.00 0.43 0.00 0.00 57.03 57.20 2c3u h ASP 604 Cb 0.97 -0.22 -0.02 0.00 -0.56 0.00 0.00 39.33 39.50 2c3u h ASP 604 CO 0.09 1.04 0.20 0.00 -1.57 0.00 0.00 179.24 179.00 2c3u h ALA 605 N 1.01 0.46 0.07 3.45 0.00 -1.17 -0.72 119.26 122.36 2c3u h ALA 605 Ca 0.08 -0.08 0.01 0.00 0.00 0.00 0.00 54.91 54.92 2c3u h ALA 605 Cb 0.81 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.45 2c3u h ALA 605 CO 0.07 -0.01 -0.10 0.28 0.00 0.00 0.00 179.25 179.48 2c3u h VAL 606 N 0.45 0.76 -0.18 0.00 2.07 -1.25 0.14 116.25 118.25 2c3u h VAL 606 Ca 0.13 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.69 2c3u h VAL 606 Cb 0.06 0.76 -0.05 0.00 -1.52 0.00 0.00 31.29 30.55 2c3u h VAL 606 CO -0.02 0.00 -0.11 0.44 0.02 0.00 0.00 177.57 177.90 2c3u h ASP 607 N -0.21 -0.36 0.52 0.57 3.45 -1.17 0.34 116.42 119.57 2c3u h ASP 607 Ca 0.01 0.08 -0.07 0.00 0.43 0.00 0.00 57.03 57.48 2c3u h ASP 607 Cb 0.22 0.19 -0.01 0.00 -0.56 0.00 0.00 39.33 39.17 2c3u h ASP 607 CO -0.05 -0.14 -0.35 -0.61 -1.57 0.00 0.00 179.24 176.51 2c3u h GLN 608 N -0.10 0.00 -0.22 3.56 4.15 -0.96 -0.48 115.11 121.07 2c3u h GLN 608 Ca 0.10 0.00 -0.08 0.00 0.77 0.00 0.00 58.65 59.45 2c3u h GLN 608 Cb 0.26 0.00 -0.00 0.00 0.21 0.00 0.00 27.48 27.94 2c3u h GLN 608 CO -0.24 0.35 -0.16 0.00 -1.93 0.00 0.00 178.83 176.85 2c3u h ALA 609 N 1.65 0.31 -0.82 3.38 0.00 -0.09 -0.54 119.26 123.14 2c3u h ALA 609 Ca -0.00 -0.33 -0.01 0.00 0.00 0.00 0.00 54.91 54.57 2c3u h ALA 609 Cb 0.71 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.39 2c3u h ALA 609 CO 0.05 0.21 0.49 0.28 0.00 0.00 0.00 179.25 180.27 2c3u h VAL 610 N 0.18 1.23 -0.35 0.00 2.07 -0.56 -0.40 116.25 118.42 2c3u h VAL 610 Ca 0.04 -0.52 -0.06 0.00 0.82 0.00 0.00 66.70 66.98 2c3u h VAL 610 Cb 0.69 0.08 -0.01 0.00 -1.52 0.00 0.00 31.29 30.52 2c3u h VAL 610 CO 0.04 0.25 -0.01 0.74 0.02 0.00 0.00 177.57 178.61 2c3u h THR 611 N 1.14 1.26 0.00 2.57 2.02 -0.87 -3.22 112.91 115.81 2c3u h THR 611 Ca 0.29 -0.98 0.00 0.00 0.77 0.00 0.00 66.41 66.49 2c3u h THR 611 Cb -0.03 1.22 0.00 0.00 -1.74 0.00 0.00 68.15 67.59 2c3u h THR 611 CO -0.05 0.32 -0.33 -1.20 0.37 0.00 0.00 175.52 174.63 2c3u n SER 612 N -4.51 0.56 -4.56 4.18 7.64 -0.23 -4.68 113.62 112.02 2c3u n SER 612 Ca -0.02 0.23 -0.37 0.00 1.01 0.00 0.00 58.87 59.73 2c3u n SER 612 Cb 0.28 -0.18 -0.04 0.00 -1.01 0.00 0.00 64.21 63.26 2c3u n SER 612 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 2c3u s LEU 613 N -3.84 3.34 0.06 -3.43 2.01 -0.18 -4.91 118.68 111.72 2c3u s LEU 613 Ca 0.10 -0.94 0.04 0.00 0.01 0.00 0.00 54.13 53.34 2c3u s LEU 613 Cb 0.15 -2.56 -0.03 0.00 0.01 0.00 0.00 46.19 43.76 2c3u s LEU 613 CO 0.65 -1.99 -0.12 -1.10 1.01 0.00 0.00 176.35 174.80 2c3u s GLN 614 N 5.85 0.75 0.40 1.70 -1.52 -1.26 -5.00 119.66 120.58 2c3u s GLN 614 Ca 0.53 -0.87 -0.26 0.00 -1.95 0.00 0.00 55.36 52.82 2c3u s GLN 614 Cb -0.04 -0.70 -0.10 0.00 -0.22 0.00 0.00 33.01 31.94 2c3u s GLN 614 CO -0.01 0.16 1.24 0.39 -0.25 0.00 0.00 175.29 176.81 2c3u n GLU 615 N 1.44 1.89 -3.25 2.91 1.02 -1.26 -4.48 120.64 118.91 2c3u n GLU 615 Ca -0.21 0.67 -0.39 0.00 -0.02 0.00 0.00 57.16 57.21 2c3u n GLU 615 Cb 0.54 -2.33 -0.07 0.00 -0.02 0.00 0.00 31.44 29.57 2c3u n GLU 615 CO 0.00 0.00 0.00 0.12 1.18 0.00 0.00 177.13 178.43 2c3u s PHE 616 N -1.19 3.37 -0.59 -0.32 5.36 0.21 -4.97 117.98 119.85 2c3u s PHE 616 Ca 0.60 0.78 -0.23 0.00 -0.96 0.00 0.00 56.93 57.11 2c3u s PHE 616 Cb -0.53 -2.67 0.05 0.00 -0.34 0.00 0.00 43.02 39.54 2c3u s PHE 616 CO 0.59 -0.10 0.94 0.15 -1.46 0.00 0.00 175.22 175.34 2c3u s LYS 617 N 1.63 3.23 0.03 10.12 -0.14 -1.26 -4.63 119.74 128.72 2c3u s LYS 617 Ca 0.24 -0.51 -0.09 0.00 -1.36 0.00 0.00 55.97 54.25 2c3u s LYS 617 Cb -0.15 -4.12 -0.05 0.00 -1.68 0.00 0.00 37.83 31.82 2c3u s LYS 617 CO 0.10 -1.61 0.33 1.52 -0.76 0.00 0.00 175.35 174.93 2c3u s TYR 618 N 3.96 3.60 0.69 3.18 -0.85 -1.26 -5.01 117.35 121.66 2c3u s TYR 618 Ca 0.26 0.70 -0.12 0.00 -0.52 0.00 0.00 57.07 57.39 2c3u s TYR 618 Cb -0.14 -2.09 0.01 0.00 0.38 0.00 0.00 41.96 40.12 2c3u s TYR 618 CO 0.15 0.58 1.07 -1.25 -1.52 0.00 0.00 175.55 174.59 2c3u s PRO 619 N -1.73 2.84 0.47 -3.49 0.04 -1.26 -4.93 135.00 126.94 2c3u s PRO 619 Ca 0.29 1.10 0.22 0.00 0.04 0.00 0.00 61.00 62.64 2c3u s PRO 619 Cb -0.14 -1.97 1.16 0.00 0.04 0.00 0.00 34.50 33.59 2c3u s PRO 619 CO 0.16 -1.19 1.98 0.22 0.04 0.00 0.00 177.00 178.21 2c3u h ASP 620 N -0.51 0.00 0.16 6.66 3.58 -2.00 -2.59 116.42 121.73 2c3u h ASP 620 Ca -0.45 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.00 2c3u h ASP 620 Cb 1.22 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.27 2c3u h ASP 620 CO 0.55 0.20 0.00 -1.54 -2.88 0.00 0.00 179.24 175.57 2c3u n SER 621 N -3.82 0.00 0.25 2.28 3.41 -1.26 -1.59 113.62 112.89 2c3u n SER 621 Ca -0.02 0.44 0.14 0.00 -0.26 0.00 0.00 58.87 59.17 2c3u n SER 621 Cb 0.30 -0.45 0.57 0.00 -0.26 0.00 0.00 64.21 64.36 2c3u n SER 621 CO 0.00 0.00 0.00 -0.50 -0.16 0.00 0.00 175.04 174.38 2c3u h TRP 622 N 0.00 0.00 -0.79 7.33 4.06 -1.79 -3.01 115.95 121.74 2c3u h TRP 622 Ca 0.00 0.00 0.19 0.00 2.06 0.00 0.00 58.89 61.14 2c3u h TRP 622 Cb 0.08 0.00 -0.05 0.00 -1.00 0.00 0.00 29.16 28.20 2c3u h TRP 622 CO 0.00 0.09 0.54 0.87 -3.56 0.00 0.00 178.44 176.38 2c3u h LYS 623 N 0.00 0.22 -1.22 0.49 1.57 -1.53 -2.78 116.57 113.32 2c3u h LYS 623 Ca -0.00 -0.01 -0.41 0.00 -1.87 0.00 0.00 60.65 58.36 2c3u h LYS 623 Cb 0.63 -0.05 -0.40 0.00 0.08 0.00 0.00 32.23 32.49 2c3u h LYS 623 CO 0.01 0.15 -1.14 -0.40 -0.57 0.00 0.00 179.45 177.50 2c3u n ASP 624 N -4.42 1.78 -4.77 0.86 5.68 -1.14 -4.76 116.55 109.79 2c3u n ASP 624 Ca 0.16 -2.88 -0.41 0.00 -0.50 0.00 0.00 54.79 51.16 2c3u n ASP 624 Cb 0.70 -0.54 -0.02 0.00 -1.14 0.00 0.00 41.12 40.13 2c3u n ASP 624 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2c3u s ALA 625 N -3.08 3.57 0.59 2.12 0.00 -1.07 -4.94 121.76 118.94 2c3u s ALA 625 Ca 0.32 1.39 -0.20 0.00 0.00 0.00 0.00 51.96 53.47 2c3u s ALA 625 Cb 0.43 -3.55 -0.03 0.00 0.00 0.00 0.00 23.12 19.97 2c3u s ALA 625 CO -0.01 -0.81 1.30 -1.25 0.00 0.00 0.00 175.76 174.99 2c3u s PRO 626 N -1.46 2.93 0.69 0.00 0.04 -1.26 -4.88 135.00 131.06 2c3u s PRO 626 Ca 0.54 2.08 -0.11 0.00 0.04 0.00 0.00 61.00 63.54 2c3u s PRO 626 Cb -0.43 -2.06 0.00 0.00 0.04 0.00 0.00 34.50 32.06 2c3u s PRO 626 CO 0.53 -1.31 1.07 0.00 0.04 0.00 0.00 177.00 177.33 2c3u s ALA 627 N -1.40 2.79 0.43 8.56 0.00 -1.26 -4.55 121.76 126.33 2c3u s ALA 627 Ca 0.76 -0.12 0.08 0.00 0.00 0.00 0.00 51.96 52.68 2c3u s ALA 627 Cb -0.37 -3.10 0.00 0.00 0.00 0.00 0.00 23.12 19.65 2c3u s ALA 627 CO 0.42 -1.12 0.50 -1.83 0.00 0.00 0.00 175.76 173.73 2c3u s GLU 628 N -5.18 2.67 0.23 0.00 -1.05 -1.26 -5.06 118.70 109.05 2c3u s GLU 628 Ca 0.58 -1.40 -0.03 0.00 -0.15 0.00 0.00 54.97 53.97 2c3u s GLU 628 Cb -0.12 -2.58 0.05 0.00 -0.44 0.00 0.00 34.13 31.03 2c3u s GLU 628 CO 0.54 -0.28 0.31 0.25 0.95 0.00 0.00 175.26 177.03 2c3u n THR 629 N -1.75 0.00 -4.03 1.83 -2.24 -1.26 -5.08 114.28 101.75 2c3u n THR 629 Ca 0.06 -0.30 -0.31 0.00 -2.27 0.00 0.00 64.05 61.23 2c3u n THR 629 Cb 0.60 -1.69 -0.15 0.00 -2.10 0.00 0.00 70.33 66.99 2c3u n THR 629 CO 0.00 0.00 0.00 -1.59 -0.57 0.00 0.00 175.07 172.91 2c3u s LYS 630 N -3.54 1.93 -0.10 -0.78 -2.85 -1.26 -4.93 119.74 108.22 2c3u s LYS 630 Ca 0.19 -1.41 0.15 0.00 -1.00 0.00 0.00 55.97 53.89 2c3u s LYS 630 Cb -0.01 -2.90 0.59 0.00 -2.06 0.00 0.00 37.83 33.46 2c3u s LYS 630 CO 0.13 -0.67 1.47 0.00 0.10 0.00 0.00 175.35 176.38 2c3u n ALA 631 N 4.44 3.02 -1.62 0.59 0.00 -1.26 -4.95 120.51 120.72 2c3u n ALA 631 Ca -0.09 -1.29 -0.50 0.00 0.00 0.00 0.00 53.44 51.56 2c3u n ALA 631 Cb 0.42 -1.03 -0.05 0.00 0.00 0.00 0.00 19.45 18.79 2c3u n ALA 631 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 2c3u n GLU 632 N 0.87 1.74 -0.83 0.00 -0.00 -1.26 -4.95 120.64 116.21 2c3u n GLU 632 Ca 0.21 0.59 -0.29 0.00 -0.00 0.00 0.00 57.16 57.68 2c3u n GLU 632 Cb 0.76 -2.58 0.23 0.00 -0.00 0.00 0.00 31.44 29.85 2c3u n GLU 632 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.13 175.88 2c3u s PRO 633 N 4.78 -0.70 0.01 3.44 0.04 -1.26 -4.94 135.00 136.37 2c3u s PRO 633 Ca 0.99 0.52 -0.30 0.00 0.04 0.00 0.00 61.00 62.25 2c3u s PRO 633 Cb -0.75 -1.60 -0.06 0.00 0.04 0.00 0.00 34.50 32.12 2c3u s PRO 633 CO 0.52 -3.50 1.45 1.41 0.04 0.00 0.00 177.00 176.92 2c3u s MET 634 N -4.81 4.26 0.00 4.56 1.75 -1.26 -4.97 119.30 118.84 2c3u s MET 634 Ca 0.68 2.03 0.00 0.00 -1.25 0.00 0.00 55.69 57.14 2c3u s MET 634 Cb -0.20 -3.59 0.00 0.00 2.84 0.00 0.00 34.83 33.88 2c3u s MET 634 CO 0.61 -0.61 0.00 -2.37 -0.65 0.00 0.00 175.02 172.00 2c3u n THR 635 N 4.70 0.00 -3.40 10.11 5.66 -1.26 -5.10 114.28 124.99 2c3u n THR 635 Ca 0.14 0.00 -0.31 0.00 -3.05 0.00 0.00 64.05 60.83 2c3u n THR 635 Cb 0.43 0.00 -0.05 0.00 -1.55 0.00 0.00 70.33 69.16 2c3u n THR 635 CO 0.00 0.00 0.00 0.21 -3.05 0.00 0.00 175.07 172.23 2c3u s ASN 636 N -0.29 6.56 0.16 1.09 3.84 -1.26 -4.98 114.94 120.07 2c3u s ASN 636 Ca 0.00 0.85 -0.12 0.00 0.21 0.00 0.00 52.86 53.79 2c3u s ASN 636 Cb 0.00 -2.20 0.05 0.00 -0.55 0.00 0.00 41.25 38.56 2c3u s ASN 636 CO 0.00 -0.11 1.69 1.05 -2.79 0.00 0.00 177.10 176.94 2c3u h GLU 637 N 2.29 0.86 -0.56 0.43 9.09 -2.01 0.71 114.58 125.39 2c3u h GLU 637 Ca -0.47 -0.18 -0.08 0.00 0.05 0.00 0.00 59.36 58.68 2c3u h GLU 637 Cb 1.17 -0.12 -0.02 0.00 -1.65 0.00 0.00 28.75 28.13 2c3u h GLU 637 CO 0.68 0.78 0.04 0.35 0.05 0.00 0.00 179.01 180.91 2c3u h PHE 638 N 0.77 0.99 -0.61 2.06 3.57 -1.97 0.16 116.94 121.91 2c3u h PHE 638 Ca 0.18 -0.14 -0.10 0.00 3.53 0.00 0.00 57.97 61.44 2c3u h PHE 638 Cb 0.28 -0.27 -0.02 0.00 2.79 0.00 0.00 35.95 38.72 2c3u h PHE 638 CO 0.02 0.87 0.01 0.35 -2.23 0.00 0.00 178.31 177.33 2c3u h PHE 639 N 0.87 1.17 -0.31 0.41 3.57 -1.82 0.28 116.94 121.11 2c3u h PHE 639 Ca 0.17 -0.20 -0.18 0.00 3.53 0.00 0.00 57.97 61.29 2c3u h PHE 639 Cb 0.46 -0.31 -0.00 0.00 2.79 0.00 0.00 35.95 38.89 2c3u h PHE 639 CO 0.03 1.03 -0.52 0.87 -2.23 0.00 0.00 178.31 177.49 2c3u h LYS 640 N 0.98 0.89 0.00 1.11 1.57 -0.39 0.20 116.57 120.94 2c3u h LYS 640 Ca 0.17 -0.55 -0.13 0.00 -1.87 0.00 0.00 60.65 58.28 2c3u h LYS 640 Cb 0.55 0.06 -0.02 0.00 0.08 0.00 0.00 32.23 32.90 2c3u h LYS 640 CO 0.03 1.19 -1.15 -0.91 -0.57 0.00 0.00 179.45 178.04 2c3u h ASN 641 N 0.69 0.00 0.00 0.86 2.35 -0.58 -3.42 115.58 115.49 2c3u h ASN 641 Ca 0.02 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.77 2c3u h ASN 641 Cb 1.12 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.49 2c3u h ASN 641 CO 0.12 0.48 -0.64 0.52 -1.65 0.00 0.00 177.43 176.26 2c3u n VAL 642 N -2.94 0.02 0.05 2.81 0.31 0.97 -4.82 118.33 114.72 2c3u n VAL 642 Ca -0.06 0.01 -0.19 0.00 -0.01 0.00 0.00 64.34 64.09 2c3u n VAL 642 Cb 0.78 -1.15 -0.09 0.00 -0.91 0.00 0.00 33.84 32.46 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 0.00 1.30 -0.68 2.52 3.04 -1.45 -2.93 116.25 118.05 2c3u h VAL 643 Ca 0.00 -2.28 -0.05 0.00 -1.01 0.00 0.00 66.70 63.36 2c3u h VAL 643 Cb 0.64 2.38 -0.03 0.00 -2.01 0.00 0.00 31.29 32.27 2c3u h VAL 643 CO 0.00 0.70 0.22 0.50 -1.01 0.00 0.00 177.57 177.98 2c3u h LYS 644 N 0.37 1.05 -0.95 4.17 3.64 -1.21 0.95 116.57 124.59 2c3u h LYS 644 Ca -0.12 -0.22 0.04 0.00 -1.27 0.00 0.00 60.65 59.07 2c3u h LYS 644 Cb 1.68 -0.15 -0.06 0.00 -0.41 0.00 0.00 32.23 33.29 2c3u h LYS 644 CO 0.20 0.91 0.62 -1.35 -2.27 0.00 0.00 179.45 177.55 2c3u h PRO 645 N 0.99 1.15 -0.20 1.90 0.11 -1.79 0.81 132.00 134.98 2c3u h PRO 645 Ca 0.22 -0.07 -0.06 0.00 0.11 0.00 0.00 66.00 66.20 2c3u h PRO 645 Cb 0.29 -0.26 -0.00 0.00 0.11 0.00 0.00 31.00 31.14 2c3u h PRO 645 CO -0.01 0.76 -0.13 0.82 -0.21 0.00 0.00 178.00 179.24 2c3u h ILE 646 N 1.19 1.32 -0.37 4.15 2.04 -1.24 0.44 117.51 125.03 2c3u h ILE 646 Ca 0.38 -1.23 -0.02 0.00 1.00 0.00 0.00 64.86 64.99 2c3u h ILE 646 Cb 0.02 1.69 -0.02 0.00 -0.74 0.00 0.00 36.82 37.77 2c3u h ILE 646 CO -0.13 0.37 0.15 -0.07 0.00 0.00 0.00 178.15 178.47 2c3u h LEU 647 N 0.12 0.46 -2.06 1.44 3.38 -0.39 -1.26 115.31 117.00 2c3u h LEU 647 Ca 0.04 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2c3u h LEU 647 Cb 0.64 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.27 2c3u h LEU 647 CO 0.04 0.42 0.00 0.35 0.09 0.00 0.00 178.44 179.34 2c3u n THR 648 N -4.39 1.15 -2.17 0.22 -2.24 0.24 -4.88 114.28 102.20 2c3u n THR 648 Ca 0.02 -0.58 -0.14 0.00 -2.27 0.00 0.00 64.05 61.08 2c3u n THR 648 Cb 0.14 -0.41 -0.01 0.00 -2.10 0.00 0.00 70.33 67.95 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 0.26 -1.10 -0.18 -0.78 1.13 -0.48 -4.75 117.38 111.48 2c3u n GLN 649 Ca 0.12 0.71 0.05 0.00 -1.94 0.00 0.00 57.00 55.94 2c3u n GLN 649 Cb 0.65 -4.97 0.15 0.00 0.11 0.00 0.00 30.24 26.17 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 -2.37 2.88 -0.27 -1.09 1.13 0.15 -4.72 117.38 113.09 2c3u n GLN 650 Ca -0.16 -2.07 0.05 0.00 -1.94 0.00 0.00 57.00 52.88 2c3u n GLN 650 Cb 0.61 -1.30 0.16 0.00 0.11 0.00 0.00 30.24 29.82 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 1.82 0.82 0.76 1.08 0.00 -1.72 0.22 103.07 106.06 2c3u h GLY 651 Ca 0.00 0.15 0.08 0.00 0.00 0.00 0.00 47.33 47.57 2c3u h GLY 651 CO 0.02 -0.32 0.54 -0.55 0.00 0.00 0.00 176.54 176.23 2c3u h ASP 652 N 0.07 0.00 1.81 0.19 3.32 -1.92 0.15 116.42 120.03 2c3u h ASP 652 Ca 0.43 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.48 2c3u h ASP 652 Cb 0.74 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.29 2c3u h ASP 652 CO -0.73 0.00 -0.09 0.11 -1.72 0.00 0.00 179.24 176.81 2c3u h LYS 653 N 0.00 0.00 -6.53 3.56 1.57 -0.92 -3.46 116.57 110.79 2c3u h LYS 653 Ca 0.14 0.00 -0.53 0.00 -1.87 0.00 0.00 60.65 58.39 2c3u h LYS 653 Cb 1.22 0.00 0.03 0.00 0.08 0.00 0.00 32.23 33.56 2c3u h LYS 653 CO -0.00 0.00 0.85 -0.51 -0.57 0.00 0.00 179.45 179.22 2c3u s LEU 654 N -5.82 4.36 0.90 2.94 1.02 0.52 -4.96 118.68 117.64 2c3u s LEU 654 Ca 0.07 2.44 -0.14 0.00 0.02 0.00 0.00 54.13 56.53 2c3u s LEU 654 Cb 0.07 -3.58 0.14 0.00 0.02 0.00 0.00 46.19 42.83 2c3u s LEU 654 CO 0.67 -0.77 1.20 -2.16 0.02 0.00 0.00 176.35 175.31 2c3u s PRO 655 N 1.56 1.21 0.48 1.29 0.04 -1.26 -4.72 135.00 133.59 2c3u s PRO 655 Ca 0.68 0.01 0.19 0.00 0.04 0.00 0.00 61.00 61.93 2c3u s PRO 655 Cb -0.39 -1.87 1.20 0.00 0.04 0.00 0.00 34.50 33.47 2c3u s PRO 655 CO 0.31 -2.10 2.04 -0.24 0.04 0.00 0.00 177.00 177.05 2c3u h VAL 656 N -1.42 0.91 0.00 -0.36 3.04 -1.78 -2.15 116.25 114.49 2c3u h VAL 656 Ca -0.47 -0.55 0.00 0.00 -1.01 0.00 0.00 66.70 64.67 2c3u h VAL 656 Cb 1.30 1.31 0.00 0.00 -2.01 0.00 0.00 31.29 31.90 2c3u h VAL 656 CO 0.56 0.15 0.00 0.77 -1.01 0.00 0.00 177.57 178.03 2c3u h SER 657 N 0.00 0.00 1.20 3.17 4.64 -1.90 -2.67 113.55 118.00 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 0.30 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.39 2c3u h SER 657 CO 0.02 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 175.98 2c3u h ALA 658 N 2.09 1.00 -2.99 5.18 0.00 -1.75 -3.46 119.26 119.34 2c3u h ALA 658 Ca 0.00 0.00 -0.62 0.00 0.00 0.00 0.00 54.91 54.29 2c3u h ALA 658 Cb 0.15 0.00 -0.12 0.00 0.00 0.00 0.00 17.79 17.82 2c3u h ALA 658 CO 0.00 0.00 -0.68 -0.06 0.00 0.00 0.00 179.25 178.51 2c3u s PHE 659 N -3.35 2.80 0.20 0.00 0.40 -1.01 -5.04 117.98 111.98 2c3u s PHE 659 Ca 0.05 -0.15 -0.30 0.00 -0.60 0.00 0.00 56.93 55.94 2c3u s PHE 659 Cb 0.09 -1.38 -0.08 0.00 0.51 0.00 0.00 43.02 42.17 2c3u s PHE 659 CO 0.53 0.51 1.11 -1.21 0.70 0.00 0.00 175.22 176.85 2c3u s GLU 660 N -2.82 4.60 0.32 0.44 0.41 -1.26 -4.94 118.70 115.45 2c3u s GLU 660 Ca 0.26 1.74 0.05 0.00 -0.41 0.00 0.00 54.97 56.62 2c3u s GLU 660 Cb -0.09 -3.26 0.70 0.00 -1.78 0.00 0.00 34.13 29.70 2c3u s GLU 660 CO 0.17 0.09 1.84 0.00 -0.49 0.00 0.00 175.26 176.88 2c3u h ALA 661 N 4.86 1.69 -0.15 5.21 0.00 -1.95 -0.75 119.26 128.17 2c3u h ALA 661 Ca -0.45 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.49 2c3u h ALA 661 Cb 1.21 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.85 2c3u h ALA 661 CO 0.71 0.05 0.00 -0.40 0.00 0.00 0.00 179.25 179.62 2c3u n ASP 662 N -4.61 1.13 0.00 0.00 3.85 -1.26 -4.92 116.55 110.74 2c3u n ASP 662 Ca 0.19 -1.74 0.00 0.00 -0.71 0.00 0.00 54.79 52.53 2c3u n ASP 662 Cb 0.43 -0.10 0.00 0.00 -1.35 0.00 0.00 41.12 40.11 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 0.96 0.80 3.77 6.12 0.00 -0.29 -4.80 105.19 111.75 2c3u n GLY 663 Ca 0.13 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.80 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 -0.05 3.03 0.16 1.61 1.70 -1.26 -4.92 118.95 119.22 2c3u s ARG 664 Ca 0.00 1.58 0.07 0.00 -0.47 0.00 0.00 55.73 56.91 2c3u s ARG 664 Cb 0.00 -1.96 -0.04 0.00 -0.57 0.00 0.00 34.95 32.37 2c3u s ARG 664 CO 0.00 -1.10 -0.15 -0.06 -1.08 0.00 0.00 175.30 172.91 2c3u s PHE 665 N -1.94 1.56 0.49 5.89 0.40 -1.26 -4.54 117.98 118.58 2c3u s PHE 665 Ca 0.72 -0.57 -0.06 0.00 -0.60 0.00 0.00 56.93 56.42 2c3u s PHE 665 Cb -0.24 -0.78 -0.04 0.00 0.51 0.00 0.00 43.02 42.48 2c3u s PHE 665 CO 0.34 0.24 0.80 -1.25 0.70 0.00 0.00 175.22 176.05 2c3u s PRO 666 N -3.11 3.55 0.66 0.24 0.04 -1.26 -5.06 135.00 130.06 2c3u s PRO 666 Ca 0.15 0.25 -0.11 0.00 0.04 0.00 0.00 61.00 61.33 2c3u s PRO 666 Cb -0.03 -2.35 -0.01 0.00 0.04 0.00 0.00 34.50 32.15 2c3u s PRO 666 CO 0.05 -0.23 1.05 -0.51 0.04 0.00 0.00 177.00 177.39 2c3u s LEU 667 N -4.76 3.16 -0.04 -3.56 1.02 -1.26 -4.38 118.68 108.87 2c3u s LEU 667 Ca 0.48 1.52 0.00 0.00 0.02 0.00 0.00 54.13 56.15 2c3u s LEU 667 Cb -0.10 -4.47 0.00 0.00 0.02 0.00 0.00 46.19 41.64 2c3u s LEU 667 CO 0.45 -1.20 0.00 0.61 0.02 0.00 0.00 176.35 176.23 2c3u n GLY 668 N -2.33 0.45 0.23 -3.19 0.00 0.72 -4.87 105.19 96.20 2c3u n GLY 668 Ca 0.07 -0.13 0.16 0.00 0.00 0.00 0.00 46.02 46.12 2c3u n GLY 668 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 2c3u h THR 669 N 0.00 0.00 0.00 2.61 1.35 -1.71 -2.67 112.91 112.49 2c3u h THR 669 Ca -0.01 -0.32 0.00 0.00 -0.55 0.00 0.00 66.41 65.54 2c3u h THR 669 Cb 0.15 1.19 0.00 0.00 -1.73 0.00 0.00 68.15 67.76 2c3u h THR 669 CO 0.01 0.00 0.00 0.77 -0.25 0.00 0.00 175.52 176.05 2c3u h SER 670 N 0.00 0.00 -0.54 5.36 4.64 -1.77 -3.18 113.55 118.06 2c3u h SER 670 Ca 0.00 0.00 0.16 0.00 -0.47 0.00 0.00 61.79 61.48 2c3u h SER 670 Cb 0.36 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.43 2c3u h SER 670 CO 0.00 0.00 0.50 1.56 -0.87 0.00 0.00 176.83 178.02 2c3u h GLN 671 N 0.00 0.00 -0.14 4.77 1.08 -1.75 -1.96 115.11 117.12 2c3u h GLN 671 Ca 0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 2c3u h GLN 671 Cb 0.68 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.11 2c3u h GLN 671 CO 0.00 0.00 0.00 1.19 -0.95 0.00 0.00 178.83 179.07 2c3u n PHE 672 N -3.88 0.16 -0.12 2.96 3.01 -1.20 -4.61 117.46 113.78 2c3u n PHE 672 Ca 0.10 -0.11 -0.12 0.00 1.01 0.00 0.00 57.45 58.33 2c3u n PHE 672 Cb 0.72 -0.00 -0.00 0.00 -0.01 0.00 0.00 39.48 40.18 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 3.37 0.92 -6.18 -1.08 5.08 -1.52 -3.47 114.58 111.70 2c3u h GLU 673 Ca 0.00 -0.46 -0.38 0.00 -1.00 0.00 0.00 59.36 57.51 2c3u h GLU 673 Cb 0.76 0.01 -0.15 0.00 0.50 0.00 0.00 28.75 29.87 2c3u h GLU 673 CO 0.00 1.12 -0.59 1.63 -1.00 0.00 0.00 179.01 180.17 2c3u n LYS 674 N -4.06 -0.94 -0.34 2.33 4.76 -1.26 -4.81 118.16 113.84 2c3u n LYS 674 Ca -0.02 0.06 0.19 0.00 -2.87 0.00 0.00 58.31 55.67 2c3u n LYS 674 Cb 0.53 -2.32 0.42 0.00 -1.84 0.00 0.00 35.03 31.82 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 -0.69 0.53 -5.68 1.97 3.08 -1.91 -3.46 114.38 108.22 2c3u h ARG 675 Ca -0.40 -0.03 -0.30 0.00 0.07 0.00 0.00 59.98 59.32 2c3u h ARG 675 Cb 0.86 -0.12 0.16 0.00 0.08 0.00 0.00 29.97 30.95 2c3u h ARG 675 CO 0.46 0.35 -0.85 0.41 -1.07 0.00 0.00 179.97 179.26 2c3u n GLY 676 N -1.36 -1.12 0.42 0.04 0.00 0.11 -4.92 105.19 98.35 2c3u n GLY 676 Ca 0.26 0.55 0.05 0.00 0.00 0.00 0.00 46.02 46.87 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 -3.45 0.35 -2.42 1.61 0.24 -1.26 -5.01 118.33 108.38 2c3u n VAL 677 Ca -0.08 -0.67 -0.38 0.00 -2.04 0.00 0.00 64.34 61.17 2c3u n VAL 677 Cb 0.61 0.95 -0.03 0.00 -1.47 0.00 0.00 33.84 33.90 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 -0.84 3.18 -0.15 2.33 0.00 -1.25 -4.95 121.76 120.07 2c3u s ALA 678 Ca 0.13 0.86 -0.27 0.00 0.00 0.00 0.00 51.96 52.68 2c3u s ALA 678 Cb 0.08 -3.33 -0.25 0.00 0.00 0.00 0.00 23.12 19.62 2c3u s ALA 678 CO 0.12 -0.34 0.65 0.82 0.00 0.00 0.00 175.76 177.01 2c3u h ILE 679 N 2.42 1.57 -3.97 0.00 2.04 -1.90 -3.43 117.51 114.24 2c3u h ILE 679 Ca -0.48 -2.33 -0.59 0.00 1.00 0.00 0.00 64.86 62.46 2c3u h ILE 679 Cb 1.22 3.11 -0.23 0.00 -0.74 0.00 0.00 36.82 40.19 2c3u h ILE 679 CO 0.63 0.56 -0.84 0.20 0.00 0.00 0.00 178.15 178.70 2c3u s ASN 680 N -6.43 2.72 0.06 1.72 0.01 -1.26 -1.33 114.94 110.44 2c3u s ASN 680 Ca -0.21 -0.67 0.02 0.00 -0.71 0.00 0.00 52.86 51.28 2c3u s ASN 680 Cb -0.01 -0.17 -0.03 0.00 0.41 0.00 0.00 41.25 41.45 2c3u s ASN 680 CO 0.68 0.11 -0.07 0.68 -1.51 0.00 0.00 177.10 176.99 2c3u s VAL 681 N -1.08 0.56 0.53 1.60 -7.23 0.58 -3.89 120.40 111.47 2c3u s VAL 681 Ca 0.08 -1.46 -0.20 0.00 -1.81 0.00 0.00 61.98 58.59 2c3u s VAL 681 Cb -0.10 -1.08 -0.06 0.00 0.56 0.00 0.00 36.38 35.70 2c3u s VAL 681 CO 0.04 -0.62 1.17 -2.16 -0.31 0.00 0.00 175.10 173.22 2c3u s PRO 682 N -2.63 3.37 -0.12 4.82 0.04 -1.26 -0.28 135.00 138.94 2c3u s PRO 682 Ca -0.00 1.76 0.01 0.00 0.04 0.00 0.00 61.00 62.80 2c3u s PRO 682 Cb -0.03 -2.12 0.02 0.00 0.04 0.00 0.00 34.50 32.41 2c3u s PRO 682 CO -0.02 -0.87 -0.13 -1.14 0.04 0.00 0.00 177.00 174.88 2c3u s GLN 683 N -3.09 2.05 0.21 4.56 0.74 0.48 -4.85 119.66 119.75 2c3u s GLN 683 Ca 0.71 -0.49 -0.30 0.00 0.05 0.00 0.00 55.36 55.34 2c3u s GLN 683 Cb -0.28 -1.84 -0.08 0.00 1.10 0.00 0.00 33.01 31.91 2c3u s GLN 683 CO 0.32 -0.14 1.17 -0.46 -0.55 0.00 0.00 175.29 175.63 2c3u s TRP 684 N 1.22 3.47 -0.56 1.67 -0.00 -1.26 -2.15 118.94 121.32 2c3u s TRP 684 Ca -0.02 1.50 0.04 0.00 -0.00 0.00 0.00 56.10 57.62 2c3u s TRP 684 Cb -0.14 -3.39 0.15 0.00 -0.00 0.00 0.00 33.47 30.09 2c3u s TRP 684 CO -0.05 -1.00 0.35 0.08 -0.00 0.00 0.00 176.95 176.34 2c3u s VAL 685 N -0.32 2.23 0.36 5.86 1.01 0.39 -4.96 120.40 124.97 2c3u s VAL 685 Ca 0.51 -3.46 0.16 0.00 0.00 0.00 0.00 61.98 59.18 2c3u s VAL 685 Cb -0.32 -2.51 0.36 0.00 0.00 0.00 0.00 36.38 33.90 2c3u s VAL 685 CO 0.38 -0.94 1.72 1.55 0.00 0.00 0.00 175.10 177.80 2c3u h PRO 686 N 6.04 0.40 -0.11 2.72 0.13 -1.94 -2.28 132.00 136.95 2c3u h PRO 686 Ca 0.05 -0.02 0.03 0.00 -0.87 0.00 0.00 66.00 65.19 2c3u h PRO 686 Cb 0.85 -0.09 -0.00 0.00 0.13 0.00 0.00 31.00 31.88 2c3u h PRO 686 CO 0.63 0.26 0.14 0.93 -0.23 0.00 0.00 178.00 179.73 2c3u h GLU 687 N 0.41 0.00 -0.01 0.86 3.07 -1.97 -1.87 114.58 115.08 2c3u h GLU 687 Ca 0.67 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.53 2c3u h GLU 687 Cb 1.56 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.47 2c3u h GLU 687 CO -0.44 0.00 -0.78 0.09 -1.40 0.00 0.00 179.01 176.48 2c3u n ASN 688 N -3.73 1.43 -4.72 1.42 5.03 -0.86 -4.99 115.26 108.84 2c3u n ASN 688 Ca -0.00 -1.21 -0.42 0.00 0.87 0.00 0.00 54.58 53.82 2c3u n ASN 688 Cb 0.24 0.78 -0.03 0.00 -1.02 0.00 0.00 39.78 39.76 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 3.69 0.48 -3.77 0.00 -5.35 -1.26 -4.96 119.36 108.19 2c3u n ILE 690 Ca 0.08 -0.66 -0.24 0.00 -0.27 0.00 0.00 62.75 61.65 2c3u n ILE 690 Cb 0.46 0.77 0.03 0.00 -1.74 0.00 0.00 39.64 39.16 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 1.20 -5.22 0.09 6.28 6.02 -1.26 -4.91 117.38 119.57 2c3u n GLN 691 Ca 0.19 0.62 0.12 0.00 -0.01 0.00 0.00 57.00 57.91 2c3u n GLN 691 Cb 0.53 -5.31 0.08 0.00 1.02 0.00 0.00 30.24 26.56 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 -2.42 -4.50 0.15 0.00 5.03 -1.26 -4.50 115.26 107.77 2c3u n ASN 693 Ca 0.02 0.03 0.01 0.00 0.87 0.00 0.00 54.58 55.50 2c3u n ASN 693 Cb 0.50 -2.10 0.30 0.00 -1.02 0.00 0.00 39.78 37.46 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 0.44 0.07 0.18 3.52 4.20 -1.93 -2.69 115.11 118.89 2c3u h GLN 694 Ca -0.02 -0.03 -0.01 0.00 0.06 0.00 0.00 58.65 58.65 2c3u h GLN 694 Cb 0.53 -0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.31 2c3u h GLN 694 CO 0.03 0.46 -0.09 0.00 -0.67 0.00 0.00 178.83 178.57 2c3u h ALA 696 N 0.55 0.37 -0.32 0.00 0.00 -1.84 -2.34 119.26 115.69 2c3u h ALA 696 Ca -0.02 0.03 0.09 0.00 0.00 0.00 0.00 54.91 55.00 2c3u h ALA 696 Cb 0.21 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 2c3u h ALA 696 CO 0.04 -0.27 0.26 0.35 0.00 0.00 0.00 179.25 179.64 2c3u h PHE 697 N 0.27 0.00 0.00 0.00 3.57 -1.32 -2.82 116.94 116.64 2c3u h PHE 697 Ca 0.14 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.64 2c3u h PHE 697 Cb 0.09 0.00 0.00 0.00 2.79 0.00 0.00 35.95 38.83 2c3u h PHE 697 CO -0.12 0.00 -0.98 0.28 -2.23 0.00 0.00 178.31 175.26 2c3u n VAL 698 N -4.14 0.14 -1.98 1.41 0.31 -0.81 -4.88 118.33 108.38 2c3u n VAL 698 Ca 0.05 -0.20 -0.42 0.00 -0.01 0.00 0.00 64.34 63.75 2c3u n VAL 698 Cb 0.43 0.28 -0.03 0.00 -0.91 0.00 0.00 33.84 33.61 2c3u n VAL 698 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2c3u n PRO 700 N 6.24 0.24 0.00 0.00 -0.02 -1.26 -3.42 135.00 136.78 2c3u n PRO 700 Ca 0.16 0.13 0.00 0.00 -2.02 0.00 0.00 63.50 61.77 2c3u n PRO 700 Cb 0.42 -1.50 0.00 0.00 -0.02 0.00 0.00 33.50 32.40 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 -1.28 0.00 -2.72 6.00 8.25 -1.26 -4.57 115.22 119.64 2c3u n HIS 701 Ca 0.08 -0.10 -0.19 0.00 -0.26 0.00 0.00 57.72 57.25 2c3u n HIS 701 Cb 0.13 -0.01 0.02 0.00 1.12 0.00 0.00 29.99 31.25 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 -0.10 -5.36 -0.27 0.41 2.88 -1.22 -2.04 113.62 107.92 2c3u n SER 702 Ca 0.00 -0.17 0.13 0.00 -1.33 0.00 0.00 58.87 57.50 2c3u n SER 702 Cb 0.34 -4.27 0.63 0.00 -0.75 0.00 0.00 64.21 60.15 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 -2.83 2.60 -3.33 -1.46 0.00 -1.26 -4.75 120.51 109.48 2c3u n ALA 703 Ca -0.13 -0.33 -0.33 0.00 0.00 0.00 0.00 53.44 52.65 2c3u n ALA 703 Cb 0.62 -1.28 -0.15 0.00 0.00 0.00 0.00 19.45 18.64 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 -1.96 2.59 -0.27 0.00 1.01 -1.26 0.40 121.20 121.71 2c3u s ILE 704 Ca 0.38 -0.81 0.03 0.00 0.00 0.00 0.00 60.65 60.25 2c3u s ILE 704 Cb 0.19 -2.07 0.07 0.00 0.01 0.00 0.00 42.46 40.66 2c3u s ILE 704 CO 0.31 0.53 -0.07 -0.22 0.00 0.00 0.00 174.94 175.49 2c3u s LEU 705 N 0.61 3.64 0.17 2.97 2.96 0.14 -4.78 118.68 124.40 2c3u s LEU 705 Ca -0.10 -1.54 -0.30 0.00 -0.22 0.00 0.00 54.13 51.98 2c3u s LEU 705 Cb -0.16 -1.54 -0.08 0.00 0.50 0.00 0.00 46.19 44.91 2c3u s LEU 705 CO 0.03 -0.23 1.28 -2.84 -1.32 0.00 0.00 176.35 173.26 2c3u s PRO 706 N 1.08 4.41 -0.12 0.98 0.02 -1.26 -1.49 135.00 138.62 2c3u s PRO 706 Ca -0.05 1.98 0.01 0.00 0.02 0.00 0.00 61.00 62.96 2c3u s PRO 706 Cb -0.20 -3.23 -0.01 0.00 0.02 0.00 0.00 34.50 31.09 2c3u s PRO 706 CO -0.06 -0.22 -0.16 0.08 -0.33 0.00 0.00 177.00 176.31 2c3u s VAL 707 N 0.25 2.79 -0.22 3.83 1.01 0.79 -4.95 120.40 123.91 2c3u s VAL 707 Ca 0.57 -0.75 -0.01 0.00 0.00 0.00 0.00 61.98 61.78 2c3u s VAL 707 Cb -0.35 -2.15 0.06 0.00 0.00 0.00 0.00 36.38 33.94 2c3u s VAL 707 CO 0.36 0.53 0.00 -0.22 0.00 0.00 0.00 175.10 175.78 2c3u s LEU 708 N 0.36 1.94 0.05 3.92 2.96 -1.26 -1.44 118.68 125.21 2c3u s LEU 708 Ca -0.13 -1.07 0.03 0.00 -0.22 0.00 0.00 54.13 52.75 2c3u s LEU 708 Cb -0.16 -0.89 -0.03 0.00 0.50 0.00 0.00 46.19 45.61 2c3u s LEU 708 CO 0.06 -0.28 -0.10 0.00 -1.32 0.00 0.00 176.35 174.71 2c3u s ALA 709 N 1.62 0.77 0.51 5.97 0.00 -0.66 -4.70 121.76 125.27 2c3u s ALA 709 Ca -0.02 -0.86 -0.19 0.00 0.00 0.00 0.00 51.96 50.89 2c3u s ALA 709 Cb -0.18 0.01 -0.07 0.00 0.00 0.00 0.00 23.12 22.88 2c3u s ALA 709 CO -0.09 0.03 1.04 0.15 0.00 0.00 0.00 175.76 176.89 2c3u s LYS 710 N -1.73 3.69 0.60 0.00 1.02 -1.26 -0.70 119.74 121.37 2c3u s LYS 710 Ca -0.07 1.31 0.29 0.00 0.02 0.00 0.00 55.97 57.52 2c3u s LYS 710 Cb -0.09 -2.08 1.60 0.00 -0.52 0.00 0.00 37.83 36.73 2c3u s LYS 710 CO 0.01 -0.52 2.00 1.05 -0.92 0.00 0.00 175.35 176.97 2c3u h GLU 711 N 1.26 0.00 0.00 1.68 4.11 -1.95 0.14 114.58 119.82 2c3u h GLU 711 Ca -0.49 0.00 -0.05 0.00 0.07 0.00 0.00 59.36 58.90 2c3u h GLU 711 Cb 1.22 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.46 2c3u h GLU 711 CO 0.59 0.00 -0.22 0.93 0.07 0.00 0.00 179.01 180.38 2c3u h GLU 712 N 0.00 0.00 0.00 1.06 4.39 -1.98 -2.70 114.58 115.35 2c3u h GLU 712 Ca 0.12 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.82 2c3u h GLU 712 Cb 0.78 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.43 2c3u h GLU 712 CO -0.00 0.22 -0.17 0.93 -1.16 0.00 0.00 179.01 178.83 2c3u h GLU 713 N 0.00 0.00 -0.37 2.33 5.08 -1.32 -3.27 114.58 117.03 2c3u h GLU 713 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2c3u h GLU 713 Cb 0.40 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.65 2c3u h GLU 713 CO 0.03 0.04 0.00 1.28 -1.00 0.00 0.00 179.01 179.35 2c3u n LEU 714 N -3.06 2.11 0.14 1.33 4.32 -1.02 -4.49 117.00 116.33 2c3u n LEU 714 Ca 0.03 -1.03 -0.15 0.00 -0.02 0.00 0.00 56.01 54.84 2c3u n LEU 714 Cb 0.55 -0.25 -0.08 0.00 -1.62 0.00 0.00 43.42 42.02 2c3u n LEU 714 CO 0.35 0.52 0.58 0.58 -1.22 0.00 0.00 177.39 178.20 2c3u h VAL 715 N 2.37 0.14 -0.13 4.08 2.07 -1.62 -2.32 116.25 120.84 2c3u h VAL 715 Ca 0.00 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.52 2c3u h VAL 715 Cb 0.54 0.14 0.00 0.00 -1.52 0.00 0.00 31.29 30.44 2c3u h VAL 715 CO 0.00 0.00 0.00 0.61 0.02 0.00 0.00 177.57 178.20 2c3u n GLY 716 N -1.48 -0.26 3.67 2.17 0.00 -1.26 -4.95 105.19 103.09 2c3u n GLY 716 Ca -0.08 -0.24 -0.42 0.00 0.00 0.00 0.00 46.02 45.28 2c3u n GLY 716 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2c3u n ALA 717 N -0.11 0.94 -0.79 4.61 0.00 -0.88 -4.94 120.51 119.34 2c3u n ALA 717 Ca 0.11 0.33 -0.34 0.00 0.00 0.00 0.00 53.44 53.54 2c3u n ALA 717 Cb 0.18 -2.20 0.13 0.00 0.00 0.00 0.00 19.45 17.55 2c3u n ALA 717 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 2c3u n PRO 718 N 0.42 -0.80 -0.19 0.00 -0.02 -1.26 -4.87 135.00 128.28 2c3u n PRO 718 Ca 0.06 -0.21 -0.07 0.00 -2.02 0.00 0.00 63.50 61.27 2c3u n PRO 718 Cb 0.37 -1.60 0.03 0.00 -0.02 0.00 0.00 33.50 32.27 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 -1.66 0.70 -0.46 3.55 0.00 -2.00 -2.97 119.26 116.42 2c3u h ALA 719 Ca -0.47 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.40 2c3u h ALA 719 Cb 1.33 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.90 2c3u h ALA 719 CO 0.33 0.14 0.00 0.27 0.00 0.00 0.00 179.25 180.00 2c3u n ASN 720 N -4.70 3.28 -2.57 0.00 2.04 -1.26 -4.67 115.26 107.38 2c3u n ASN 720 Ca 0.03 -2.25 -0.15 0.00 -0.44 0.00 0.00 54.58 51.77 2c3u n ASN 720 Cb 0.02 -0.45 -0.08 0.00 -2.53 0.00 0.00 39.78 36.74 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 0.75 0.64 -1.65 -2.53 7.35 -1.13 -4.91 117.46 115.98 2c3u n PHE 721 Ca 0.18 -1.51 -0.47 0.00 -0.76 0.00 0.00 57.45 54.89 2c3u n PHE 721 Cb 0.61 -1.48 -0.04 0.00 0.35 0.00 0.00 39.48 38.92 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 3.20 0.26 -4.10 -2.13 -1.04 -1.26 -4.97 114.28 104.24 2c3u n THR 722 Ca 0.39 -0.06 -0.15 0.00 -2.04 0.00 0.00 64.05 62.19 2c3u n THR 722 Cb 0.44 -1.35 -0.12 0.00 -1.82 0.00 0.00 70.33 67.48 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 0.56 0.76 0.38 2.41 0.00 -1.26 -4.81 121.76 119.79 2c3u s ALA 723 Ca 0.77 -0.85 0.07 0.00 0.00 0.00 0.00 51.96 51.96 2c3u s ALA 723 Cb -0.73 0.01 -0.01 0.00 0.00 0.00 0.00 23.12 22.38 2c3u s ALA 723 CO 0.43 0.03 0.42 -0.51 0.00 0.00 0.00 175.76 176.13 2c3u s LEU 724 N -1.66 3.65 -0.07 0.00 1.43 0.11 -4.86 118.68 117.27 2c3u s LEU 724 Ca -0.07 -0.47 -0.28 0.00 -1.03 0.00 0.00 54.13 52.28 2c3u s LEU 724 Cb -0.10 -2.41 -0.02 0.00 0.03 0.00 0.00 46.19 43.69 2c3u s LEU 724 CO 0.01 -0.55 0.94 -1.61 0.23 0.00 0.00 176.35 175.37 2c3u s GLU 725 N -4.16 4.46 -0.01 1.70 2.02 -1.26 0.59 118.70 122.04 2c3u s GLU 725 Ca 0.47 1.29 -0.31 0.00 0.02 0.00 0.00 54.97 56.44 2c3u s GLU 725 Cb -0.07 -3.50 -0.09 0.00 0.10 0.00 0.00 34.13 30.57 2c3u s GLU 725 CO 0.30 -0.17 1.99 0.00 0.02 0.00 0.00 175.26 177.40 2c3u n ALA 726 N 4.47 1.50 -1.80 5.21 0.00 0.05 -4.73 120.51 125.21 2c3u n ALA 726 Ca 0.06 0.17 -0.37 0.00 0.00 0.00 0.00 53.44 53.30 2c3u n ALA 726 Cb 0.50 -2.68 -0.06 0.00 0.00 0.00 0.00 19.45 17.20 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 4.64 4.60 0.00 0.00 1.02 -1.26 -4.47 119.74 124.27 2c3u s LYS 727 Ca 0.91 1.32 0.00 0.00 0.02 0.00 0.00 55.97 58.22 2c3u s LYS 727 Cb -0.47 -2.87 0.00 0.00 -0.52 0.00 0.00 37.83 33.97 2c3u s LYS 727 CO 0.43 0.32 0.00 0.41 -0.92 0.00 0.00 175.35 175.59 2c3u n GLY 728 N 0.71 3.53 0.15 -3.33 0.00 -1.26 -4.71 105.19 100.27 2c3u n GLY 728 Ca 0.01 -1.57 -0.12 0.00 0.00 0.00 0.00 46.02 44.35 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 -0.20 0.00 1.61 3.11 -1.98 -2.46 116.57 116.66 2c3u h LYS 729 Ca 0.00 0.01 -0.09 0.00 -2.81 0.00 0.00 60.65 57.77 2c3u h LYS 729 Cb 0.00 0.05 -0.01 0.00 -1.00 0.00 0.00 32.23 31.26 2c3u h LYS 729 CO 0.00 -0.13 -0.42 0.93 -2.81 0.00 0.00 179.45 177.02 2c3u h GLU 730 N -0.21 0.00 -0.69 1.90 3.07 -1.93 -2.88 114.58 113.84 2c3u h GLU 730 Ca 0.03 0.00 -0.01 0.00 -0.50 0.00 0.00 59.36 58.88 2c3u h GLU 730 Cb 0.24 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 28.15 2c3u h GLU 730 CO -0.08 0.42 0.01 1.28 -1.40 0.00 0.00 179.01 179.23 2c3u n LEU 731 N -3.58 4.59 -0.08 1.33 4.77 -1.12 -4.77 117.00 118.14 2c3u n LEU 731 Ca -0.00 -2.33 -0.02 0.00 -0.03 0.00 0.00 56.01 53.62 2c3u n LEU 731 Cb 0.53 -0.64 -0.02 0.00 -2.33 0.00 0.00 43.42 40.96 2c3u n LEU 731 CO 0.38 0.54 0.33 1.17 -1.33 0.00 0.00 177.39 178.48 2c3u n LYS 732 N 0.45 -0.09 -0.30 3.23 4.81 -0.94 -1.92 118.16 123.40 2c3u n LYS 732 Ca 0.21 0.77 0.05 0.00 -0.87 0.00 0.00 58.31 58.47 2c3u n LYS 732 Cb 0.97 -1.14 0.19 0.00 0.02 0.00 0.00 35.03 35.06 2c3u n LYS 732 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2c3u n GLY 733 N -1.05 1.38 3.97 3.14 0.00 -1.26 -4.69 105.19 106.68 2c3u n GLY 733 Ca 0.00 -0.44 -0.22 0.00 0.00 0.00 0.00 46.02 45.37 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 -1.66 2.65 -0.10 1.61 1.51 -0.81 -4.58 117.35 115.98 2c3u s TYR 734 Ca 0.27 -0.02 0.02 0.00 -1.01 0.00 0.00 57.07 56.33 2c3u s TYR 734 Cb 0.17 -2.83 -0.02 0.00 -0.11 0.00 0.00 41.96 39.17 2c3u s TYR 734 CO 0.14 -1.06 -0.16 0.15 -1.11 0.00 0.00 175.55 173.51 2c3u s LYS 735 N -4.87 3.05 -0.05 -0.62 -0.14 0.13 -0.77 119.74 116.46 2c3u s LYS 735 Ca 0.59 -0.73 0.02 0.00 -1.36 0.00 0.00 55.97 54.49 2c3u s LYS 735 Cb -0.10 -2.49 -0.03 0.00 -1.68 0.00 0.00 37.83 33.53 2c3u s LYS 735 CO 0.40 0.33 -0.08 0.12 -0.76 0.00 0.00 175.35 175.36 2c3u s PHE 736 N 0.03 2.90 -0.17 3.18 5.36 0.20 -1.66 117.98 127.82 2c3u s PHE 736 Ca -0.05 -0.01 -0.13 0.00 -0.96 0.00 0.00 56.93 55.77 2c3u s PHE 736 Cb -0.15 -1.68 0.05 0.00 -0.34 0.00 0.00 43.02 40.90 2c3u s PHE 736 CO 0.05 0.32 0.44 0.50 -1.46 0.00 0.00 175.22 175.07 2c3u s ARG 737 N -0.90 0.48 -0.45 10.12 3.52 -0.52 0.05 118.95 131.25 2c3u s ARG 737 Ca 0.13 0.69 -0.17 0.00 -0.13 0.00 0.00 55.73 56.25 2c3u s ARG 737 Cb -0.11 0.16 0.04 0.00 -1.56 0.00 0.00 34.95 33.48 2c3u s ARG 737 CO 0.02 -0.10 0.46 0.42 -0.81 0.00 0.00 175.30 175.29 2c3u s ILE 738 N 0.66 5.09 -0.36 4.11 -1.09 -1.26 -0.15 121.20 128.20 2c3u s ILE 738 Ca -0.03 -0.60 -0.13 0.00 -2.23 0.00 0.00 60.65 57.66 2c3u s ILE 738 Cb -0.05 -4.11 -0.00 0.00 -1.58 0.00 0.00 42.46 36.72 2c3u s ILE 738 CO -0.04 -0.54 0.25 -1.58 -1.23 0.00 0.00 174.94 171.79 2c3u s GLN 739 N 2.08 3.25 0.11 2.79 2.00 -0.56 -4.83 119.66 124.50 2c3u s GLN 739 Ca 0.10 -0.81 -0.29 0.00 -2.00 0.00 0.00 55.36 52.36 2c3u s GLN 739 Cb -0.20 -3.83 -0.06 0.00 0.80 0.00 0.00 33.01 29.73 2c3u s GLN 739 CO 0.11 -0.56 0.91 0.42 -0.50 0.00 0.00 175.29 175.67 2c3u s ILE 740 N 1.68 4.52 -1.01 -2.34 1.09 -1.26 -0.68 121.20 123.20 2c3u s ILE 740 Ca 0.05 1.96 -0.11 0.00 -1.10 0.00 0.00 60.65 61.45 2c3u s ILE 740 Cb -0.18 -4.27 0.26 0.00 -1.06 0.00 0.00 42.46 37.21 2c3u s ILE 740 CO 0.09 0.35 0.99 0.21 -0.10 0.00 0.00 174.94 176.48 2c3u s ASN 741 N -0.13 7.12 0.55 3.58 3.04 0.16 -4.70 114.94 124.57 2c3u s ASN 741 Ca 0.44 -3.26 0.24 0.00 0.04 0.00 0.00 52.86 50.32 2c3u s ASN 741 Cb -0.23 -2.21 1.47 0.00 -1.54 0.00 0.00 41.25 38.74 2c3u s ASN 741 CO 0.28 -0.40 2.09 0.71 -3.04 0.00 0.00 177.10 176.74 2c3u h THR 742 N 4.08 0.71 0.00 -5.21 1.35 -1.89 -1.49 112.91 110.47 2c3u h THR 742 Ca 0.15 0.00 -0.21 0.00 -0.55 0.00 0.00 66.41 65.80 2c3u h THR 742 Cb 0.94 0.86 -0.03 0.00 -1.73 0.00 0.00 68.15 68.18 2c3u h THR 742 CO 0.92 0.00 -1.09 -0.07 -0.25 0.00 0.00 175.52 175.03 2c3u h LEU 743 N 0.00 0.00 0.00 3.87 3.38 -1.91 -3.28 115.31 117.36 2c3u h LEU 743 Ca 0.11 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.08 2c3u h LEU 743 Cb 0.50 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.25 2c3u h LEU 743 CO -0.00 0.91 -0.64 0.47 0.09 0.00 0.00 178.44 179.27 2c3u n ASP 744 N -3.25 0.63 -4.76 -0.43 8.00 -1.05 0.06 116.55 115.74 2c3u n ASP 744 Ca -0.04 -0.43 -0.38 0.00 0.71 0.00 0.00 54.79 54.66 2c3u n ASP 744 Cb 0.93 0.44 0.01 0.00 -0.02 0.00 0.00 41.12 42.48 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 -0.55 1.44 -2.09 0.00 2.81 -1.26 -3.92 117.12 113.55 2c3u n MET 746 Ca 0.08 -1.56 -0.14 0.00 -1.81 0.00 0.00 57.70 54.27 2c3u n MET 746 Cb 0.46 -1.29 -0.02 0.00 -0.71 0.00 0.00 33.22 31.67 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 0.79 0.12 0.19 3.03 0.00 -1.25 -4.67 105.19 103.41 2c3u n GLY 747 Ca 0.10 -0.32 -0.15 0.00 0.00 0.00 0.00 46.02 45.65 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 0.44 0.81 0.32 0.00 0.00 -1.26 -3.52 105.19 101.98 2c3u n GLY 749 Ca -0.06 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.92 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 0.97 -0.13 1.61 4.21 -1.87 -1.66 115.58 118.71 2c3u h ASN 750 Ca 0.00 -0.05 0.02 0.00 1.21 0.00 0.00 56.30 57.48 2c3u h ASN 750 Cb 0.00 -0.24 -0.02 0.00 -1.12 0.00 0.00 38.32 36.93 2c3u h ASN 750 CO 0.00 0.74 -0.00 0.00 -1.29 0.00 0.00 177.43 176.87 2c3u h ALA 752 N 1.12 1.09 0.00 0.00 0.00 -1.81 -0.73 119.26 118.92 2c3u h ALA 752 Ca 0.06 -0.30 -0.08 0.00 0.00 0.00 0.00 54.91 54.59 2c3u h ALA 752 Cb 0.08 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 2c3u h ALA 752 CO -0.11 0.56 -0.40 0.22 0.00 0.00 0.00 179.25 179.53 2c3u h ASP 753 N 0.60 0.00 0.57 0.00 3.58 -1.02 -3.21 116.42 116.94 2c3u h ASP 753 Ca 0.10 0.00 -0.01 0.00 0.42 0.00 0.00 57.03 57.54 2c3u h ASP 753 Cb 0.56 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 41.61 2c3u h ASP 753 CO 0.04 0.40 -1.44 0.00 -2.88 0.00 0.00 179.24 175.35 2c3u n ILE 754 N -3.81 0.39 -1.53 2.25 0.13 -0.42 -4.92 119.36 111.46 2c3u n ILE 754 Ca -0.01 -0.54 -0.52 0.00 -1.10 0.00 0.00 62.75 60.58 2c3u n ILE 754 Cb 0.46 -0.21 -0.07 0.00 -0.84 0.00 0.00 39.64 38.98 2c3u n ILE 754 CO 0.00 0.00 0.00 0.00 2.80 0.00 0.00 176.55 179.35 2c3u h PRO 756 N 10.73 -0.13 -6.95 0.00 0.11 -1.91 -3.45 132.00 130.41 2c3u h PRO 756 Ca -0.33 0.01 -0.55 0.00 0.11 0.00 0.00 66.00 65.23 2c3u h PRO 756 Cb 1.32 0.03 0.13 0.00 0.11 0.00 0.00 31.00 32.59 2c3u h PRO 756 CO 1.00 -0.08 0.60 -0.35 -0.21 0.00 0.00 178.00 178.96 2c3u n PRO 757 N -5.41 1.99 -0.23 1.05 -0.04 -1.26 -4.92 135.00 126.18 2c3u n PRO 757 Ca 0.04 0.71 -0.06 0.00 -0.04 0.00 0.00 63.50 64.16 2c3u n PRO 757 Cb 0.35 -2.53 0.04 0.00 -0.04 0.00 0.00 33.50 31.32 2c3u n PRO 757 CO 0.00 0.00 0.00 -0.22 -0.04 0.00 0.00 175.50 175.24 2c3u h LYS 758 N 1.98 0.92 -5.04 0.54 3.64 -1.96 -3.14 116.57 113.51 2c3u h LYS 758 Ca -0.50 -0.12 -0.69 0.00 -1.27 0.00 0.00 60.65 58.07 2c3u h LYS 758 Cb 1.29 -0.18 -0.17 0.00 -0.41 0.00 0.00 32.23 32.76 2c3u h LYS 758 CO 0.59 0.71 0.97 -1.21 -2.27 0.00 0.00 179.45 178.23 2c3u s GLU 759 N -5.80 3.68 0.37 1.90 0.41 -1.26 -4.99 118.70 113.01 2c3u s GLU 759 Ca -0.13 -1.87 -0.23 0.00 -0.41 0.00 0.00 54.97 52.33 2c3u s GLU 759 Cb 0.14 -4.97 -0.15 0.00 -1.78 0.00 0.00 34.13 27.37 2c3u s GLU 759 CO 0.79 -1.80 0.38 1.63 -0.49 0.00 0.00 175.26 175.77 2c3u n LYS 760 N 6.53 0.27 -0.06 1.61 4.76 -1.19 -4.77 118.16 125.32 2c3u n LYS 760 Ca 0.27 0.10 0.11 0.00 -2.87 0.00 0.00 58.31 55.91 2c3u n LYS 760 Cb 0.48 -1.22 0.12 0.00 -1.84 0.00 0.00 35.03 32.57 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 -0.71 2.44 -3.69 7.82 0.00 -1.26 -4.81 120.51 120.30 2c3u n ALA 761 Ca 0.13 -0.77 -0.17 0.00 0.00 0.00 0.00 53.44 52.63 2c3u n ALA 761 Cb 0.37 -0.73 -0.16 0.00 0.00 0.00 0.00 19.45 18.92 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 -1.63 0.26 -0.02 0.00 1.43 -1.26 -0.46 118.68 116.99 2c3u s LEU 762 Ca 0.28 0.23 0.03 0.00 -1.03 0.00 0.00 54.13 53.64 2c3u s LEU 762 Cb 0.18 0.15 -0.00 0.00 0.03 0.00 0.00 46.19 46.55 2c3u s LEU 762 CO 0.27 -0.22 -0.11 -0.69 0.23 0.00 0.00 176.35 175.84 2c3u s VAL 763 N 1.91 0.92 0.22 -1.59 1.01 -0.92 -4.74 120.40 117.22 2c3u s VAL 763 Ca -0.00 -0.45 -0.30 0.00 0.00 0.00 0.00 61.98 61.23 2c3u s VAL 763 Cb -0.12 -0.80 -0.09 0.00 0.00 0.00 0.00 36.38 35.38 2c3u s VAL 763 CO -0.05 0.27 1.09 -0.04 0.00 0.00 0.00 175.10 176.37 2c3u s MET 764 N 0.03 4.64 0.03 2.72 1.00 -1.26 -0.39 119.30 126.07 2c3u s MET 764 Ca -0.01 1.73 -0.02 0.00 0.00 0.00 0.00 55.69 57.40 2c3u s MET 764 Cb -0.08 -3.24 -0.02 0.00 0.00 0.00 0.00 34.83 31.49 2c3u s MET 764 CO 0.00 0.17 0.00 -0.65 0.00 0.00 0.00 175.02 174.55 2c3u s GLN 765 N -0.87 0.47 0.23 2.03 -1.52 0.61 -4.89 119.66 115.72 2c3u s GLN 765 Ca 0.47 -0.84 -0.32 0.00 -1.95 0.00 0.00 55.36 52.72 2c3u s GLN 765 Cb -0.30 0.17 -0.13 0.00 -0.22 0.00 0.00 33.01 32.53 2c3u s GLN 765 CO 0.37 -0.09 1.47 -2.30 -0.25 0.00 0.00 175.29 174.49 2c3u n PRO 766 N 0.92 2.14 -0.22 2.91 -0.02 -1.26 -0.31 135.00 139.16 2c3u n PRO 766 Ca -0.20 0.76 -0.01 0.00 -2.02 0.00 0.00 63.50 62.04 2c3u n PRO 766 Cb 0.58 -2.46 0.05 0.00 -0.02 0.00 0.00 33.50 31.65 2c3u n PRO 766 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 2c3u h LEU 767 N 4.70 -0.76 -2.29 2.45 5.85 -1.47 -0.19 115.31 123.60 2c3u h LEU 767 Ca -0.45 0.21 0.00 0.00 0.84 0.00 0.00 57.88 58.48 2c3u h LEU 767 Cb 1.26 0.46 -0.00 0.00 0.37 0.00 0.00 40.66 42.75 2c3u h LEU 767 CO 0.79 -0.25 0.24 -2.24 -0.34 0.00 0.00 178.44 176.65 2c3u h ASP 768 N -0.05 0.00 0.64 1.25 3.04 -1.89 0.26 116.42 119.67 2c3u h ASP 768 Ca 0.30 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 54.09 2c3u h ASP 768 Cb 0.51 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.80 2c3u h ASP 768 CO -0.69 0.00 -0.28 0.35 -2.04 0.00 0.00 179.24 176.58 2c3u n THR 769 N -3.00 0.00 -0.05 1.15 -2.24 -0.08 -4.29 114.28 105.77 2c3u n THR 769 Ca -0.02 -0.01 -0.07 0.00 -2.27 0.00 0.00 64.05 61.68 2c3u n THR 769 Cb 0.30 -0.03 -0.05 0.00 -2.10 0.00 0.00 70.33 68.45 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 -1.40 0.70 -0.11 -0.78 1.13 0.80 -4.84 117.38 112.88 2c3u n GLN 770 Ca 0.07 0.05 -0.08 0.00 -1.94 0.00 0.00 57.00 55.10 2c3u n GLN 770 Cb 0.33 -1.21 -0.02 0.00 0.11 0.00 0.00 30.24 29.45 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 -0.27 -0.84 -1.09 0.11 -1.44 -0.69 114.38 110.16 2c3u h ARG 771 Ca -0.23 0.02 0.21 0.00 0.10 0.00 0.00 59.98 60.08 2c3u h ARG 771 Cb 1.39 0.06 -0.14 0.00 1.11 0.00 0.00 29.97 32.40 2c3u h ARG 771 CO -0.03 -0.18 0.17 -0.44 0.10 0.00 0.00 179.97 179.59 2c3u h ASP 772 N -0.28 -0.09 0.00 0.08 3.32 -1.87 0.35 116.42 117.92 2c3u h ASP 772 Ca 0.16 0.19 -0.00 0.00 0.02 0.00 0.00 57.03 57.40 2c3u h ASP 772 Cb 0.55 0.28 -0.00 0.00 0.22 0.00 0.00 39.33 40.38 2c3u h ASP 772 CO -0.53 -0.15 -0.00 0.00 -1.72 0.00 0.00 179.24 176.84 2c3u h ALA 773 N 1.75 0.00 0.00 3.45 0.00 -1.81 -3.39 119.26 119.26 2c3u h ALA 773 Ca 0.51 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 55.34 2c3u h ALA 773 Cb 0.98 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.77 2c3u h ALA 773 CO -0.65 0.00 -0.11 1.96 0.00 0.00 0.00 179.25 180.45 2c3u h GLN 774 N -1.00 0.00 0.21 0.00 1.08 -0.96 -3.07 115.11 111.37 2c3u h GLN 774 Ca -0.00 0.00 -0.01 0.00 -1.45 0.00 0.00 58.65 57.19 2c3u h GLN 774 Cb 0.11 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.54 2c3u h GLN 774 CO -0.00 0.11 -0.10 0.28 -0.95 0.00 0.00 178.83 178.17 2c3u h VAL 775 N 0.00 0.80 -0.32 -0.54 2.07 -1.13 0.27 116.25 117.40 2c3u h VAL 775 Ca -0.00 -0.02 -0.03 0.00 0.82 0.00 0.00 66.70 67.47 2c3u h VAL 775 Cb 0.23 0.81 -0.02 0.00 -1.52 0.00 0.00 31.29 30.79 2c3u h VAL 775 CO 0.01 0.00 0.06 -0.65 0.02 0.00 0.00 177.57 177.02 2c3u h PRO 776 N -0.29 0.48 -0.30 1.57 0.11 -1.75 -2.03 132.00 129.79 2c3u h PRO 776 Ca -0.03 -0.08 -0.13 0.00 0.11 0.00 0.00 66.00 65.88 2c3u h PRO 776 Cb 0.22 -0.08 -0.00 0.00 0.11 0.00 0.00 31.00 31.25 2c3u h PRO 776 CO 0.05 0.46 -0.31 -0.91 -0.21 0.00 0.00 178.00 177.08 2c3u h ASN 777 N 0.47 0.79 -0.80 -2.05 -0.26 -1.34 -1.61 115.58 110.77 2c3u h ASN 777 Ca 0.11 -0.47 -0.02 0.00 -0.56 0.00 0.00 56.30 55.35 2c3u h ASN 777 Cb 0.22 -0.22 -0.04 0.00 -1.06 0.00 0.00 38.32 37.22 2c3u h ASN 777 CO -0.00 1.10 0.42 0.25 -1.06 0.00 0.00 177.43 178.14 2c3u h LEU 778 N 0.49 1.02 -0.01 1.61 7.12 -0.24 0.28 115.31 125.58 2c3u h LEU 778 Ca 0.05 -0.11 0.03 0.00 0.13 0.00 0.00 57.88 57.97 2c3u h LEU 778 Cb 0.88 -0.26 -0.04 0.00 -0.53 0.00 0.00 40.66 40.71 2c3u h LEU 778 CO 0.08 0.84 -0.20 -0.08 -0.13 0.00 0.00 178.44 178.94 2c3u h GLU 779 N 1.12 -0.31 0.17 1.25 4.57 -1.21 0.12 114.58 120.30 2c3u h GLU 779 Ca 0.28 0.02 -0.01 0.00 -1.18 0.00 0.00 59.36 58.47 2c3u h GLU 779 Cb 0.07 0.07 0.00 0.00 -0.16 0.00 0.00 28.75 28.73 2c3u h GLU 779 CO -0.04 -0.21 -0.08 -0.92 -1.18 0.00 0.00 179.01 176.58 2c3u h TYR 780 N -0.32 -0.21 -0.83 0.92 3.20 -0.88 -2.80 116.97 116.04 2c3u h TYR 780 Ca 0.06 -0.01 0.20 0.00 3.14 0.00 0.00 58.73 62.13 2c3u h TYR 780 Cb 0.40 0.07 -0.05 0.00 1.54 0.00 0.00 36.73 38.69 2c3u h TYR 780 CO -0.25 -0.03 0.57 0.00 -1.64 0.00 0.00 178.16 176.80 2c3u h ALA 781 N 0.45 2.34 0.00 1.82 0.00 -0.16 0.60 119.26 124.31 2c3u h ALA 781 Ca -0.02 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 2c3u h ALA 781 Cb 0.28 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.06 2c3u h ALA 781 CO 0.04 -0.60 -0.04 0.00 0.00 0.00 0.00 179.25 178.65 2c3u h ALA 782 N 1.62 1.05 -0.01 0.00 0.00 -0.47 -2.47 119.26 118.98 2c3u h ALA 782 Ca 0.42 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.29 2c3u h ALA 782 Cb 1.20 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.98 2c3u h ALA 782 CO -0.11 0.05 -0.37 0.54 0.00 0.00 0.00 179.25 179.36 2c3u n ARG 783 N -3.21 0.62 -2.58 0.00 1.74 0.20 -4.86 116.66 108.57 2c3u n ARG 783 Ca -0.01 -0.39 -0.42 0.00 -0.77 0.00 0.00 57.85 56.26 2c3u n ARG 783 Cb 0.26 -1.49 -0.03 0.00 -1.02 0.00 0.00 32.46 30.18 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 -2.65 4.52 0.19 0.55 -1.09 -0.93 -4.97 121.20 116.81 2c3u s ILE 784 Ca 0.20 1.81 -0.33 0.00 -2.23 0.00 0.00 60.65 60.10 2c3u s ILE 784 Cb 0.19 -4.16 -0.14 0.00 -1.58 0.00 0.00 42.46 36.76 2c3u s ILE 784 CO 0.59 0.03 1.55 -2.65 -1.23 0.00 0.00 174.94 173.22 2c3u n PRO 785 N 4.87 2.18 -2.44 2.79 -0.02 -1.26 -4.92 135.00 136.20 2c3u n PRO 785 Ca 0.09 0.78 -0.42 0.00 -2.02 0.00 0.00 63.50 61.93 2c3u n PRO 785 Cb 0.48 -2.53 -0.03 0.00 -0.02 0.00 0.00 33.50 31.40 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 0.65 4.20 -1.30 -1.45 1.01 -1.26 -4.83 120.40 117.42 2c3u s VAL 786 Ca 0.75 1.53 -0.14 0.00 0.00 0.00 0.00 61.98 64.13 2c3u s VAL 786 Cb -0.66 -3.99 0.12 0.00 0.00 0.00 0.00 36.38 31.85 2c3u s VAL 786 CO 0.41 0.01 1.78 0.29 0.00 0.00 0.00 175.10 177.58 2c3u n LYS 787 N 5.14 3.28 0.13 2.72 4.76 -1.26 -4.80 118.16 128.12 2c3u n LYS 787 Ca 0.11 -3.37 0.13 0.00 -2.87 0.00 0.00 58.31 52.30 2c3u n LYS 787 Cb 0.46 -3.20 0.46 0.00 -1.84 0.00 0.00 35.03 30.92 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 6.73 0.00 -0.02 4.39 4.64 -1.88 -3.27 113.55 124.15 2c3u h SER 788 Ca 0.42 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.74 2c3u h SER 788 Cb 0.77 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.86 2c3u h SER 788 CO 1.52 0.00 -0.33 -0.62 -0.87 0.00 0.00 176.83 176.52 2c3u n GLU 789 N -2.31 1.52 0.17 4.77 4.71 -1.26 -4.50 120.64 123.74 2c3u n GLU 789 Ca 0.03 -1.16 0.05 0.00 -0.01 0.00 0.00 57.16 56.06 2c3u n GLU 789 Cb 0.31 -1.42 0.19 0.00 -1.01 0.00 0.00 31.44 29.51 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 2.78 0.83 -4.17 2.62 3.04 -1.95 -3.46 116.25 115.94 2c3u h VAL 790 Ca 0.00 -1.84 -0.20 0.00 -1.01 0.00 0.00 66.70 63.65 2c3u h VAL 790 Cb 0.76 2.17 -0.15 0.00 -2.01 0.00 0.00 31.29 32.06 2c3u h VAL 790 CO 0.00 0.42 -0.66 -0.76 -1.01 0.00 0.00 177.57 175.55 2c3u s LEU 791 N -6.71 2.11 0.16 3.16 1.43 -1.26 -4.91 118.68 112.66 2c3u s LEU 791 Ca 0.02 -1.13 -0.32 0.00 -1.03 0.00 0.00 54.13 51.67 2c3u s LEU 791 Cb 0.09 0.16 -0.12 0.00 0.03 0.00 0.00 46.19 46.34 2c3u s LEU 791 CO 0.71 -0.63 1.72 -2.65 0.23 0.00 0.00 176.35 175.73 2c3u n PRO 792 N -0.07 2.60 -0.34 1.29 -0.02 -1.26 -4.87 135.00 132.32 2c3u n PRO 792 Ca -0.09 0.94 0.15 0.00 -2.02 0.00 0.00 63.50 62.48 2c3u n PRO 792 Cb 0.63 -2.78 0.35 0.00 -0.02 0.00 0.00 33.50 31.68 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 7.08 0.67 -0.67 -0.52 2.43 -1.85 -1.68 114.38 119.85 2c3u h ARG 793 Ca -0.45 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 58.68 2c3u h ARG 793 Cb 1.22 -0.15 0.00 0.00 -0.42 0.00 0.00 29.97 30.62 2c3u h ARG 793 CO 0.94 0.44 0.00 -0.40 -1.51 0.00 0.00 179.97 179.44 2c3u n ASP 794 N -4.77 4.70 -4.87 -3.80 3.85 -1.26 -3.05 116.55 107.35 2c3u n ASP 794 Ca 0.24 -2.71 -0.33 0.00 -0.71 0.00 0.00 54.79 51.28 2c3u n ASP 794 Cb 0.63 -0.64 -0.05 0.00 -1.35 0.00 0.00 41.12 39.71 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 -0.63 6.64 0.16 -1.12 1.04 -0.63 -4.79 113.70 114.37 2c3u s SER 795 Ca 0.43 0.86 -0.22 0.00 0.48 0.00 0.00 55.95 57.50 2c3u s SER 795 Cb 0.33 -2.20 0.06 0.00 0.10 0.00 0.00 66.02 64.30 2c3u s SER 795 CO 0.13 0.02 1.62 0.25 0.98 0.00 0.00 173.24 176.24 2c3u h LEU 796 N 2.96 -0.87 -0.20 2.42 6.46 -1.91 0.39 115.31 124.56 2c3u h LEU 796 Ca -0.47 0.16 -0.11 0.00 -0.12 0.00 0.00 57.88 57.34 2c3u h LEU 796 Cb 1.18 0.42 -0.00 0.00 -0.73 0.00 0.00 40.66 41.53 2c3u h LEU 796 CO 0.69 -0.29 -0.31 0.50 -0.62 0.00 0.00 178.44 178.41 2c3u h LYS 797 N -0.23 0.57 -0.49 1.25 3.64 -1.93 -3.24 116.57 116.15 2c3u h LYS 797 Ca 0.17 -0.34 -0.00 0.00 -1.27 0.00 0.00 60.65 59.20 2c3u h LYS 797 Cb 0.49 0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 32.32 2c3u h LYS 797 CO -0.47 0.95 0.29 0.78 -2.27 0.00 0.00 179.45 178.73 2c3u h GLY 798 N 0.24 0.71 1.19 5.01 0.00 -1.58 -2.47 103.07 106.17 2c3u h GLY 798 Ca 0.02 -0.29 0.03 0.00 0.00 0.00 0.00 47.33 47.09 2c3u h GLY 798 CO 0.07 0.28 0.47 1.48 0.00 0.00 0.00 176.54 178.84 2c3u h SER 799 N 0.68 0.74 0.00 0.19 4.64 -0.16 -0.33 113.55 119.30 2c3u h SER 799 Ca 0.18 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.49 2c3u h SER 799 Cb -0.01 -0.17 0.00 0.00 -0.31 0.00 0.00 62.40 61.91 2c3u h SER 799 CO -0.03 0.51 0.00 0.00 -0.87 0.00 0.00 176.83 176.44 2c3u n GLN 800 N -4.45 0.94 -0.38 4.77 1.13 -0.93 -1.95 117.38 116.51 2c3u n GLN 800 Ca 0.09 0.00 0.08 0.00 -1.94 0.00 0.00 57.00 55.23 2c3u n GLN 800 Cb 0.12 -1.18 0.23 0.00 0.11 0.00 0.00 30.24 29.53 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 -0.68 0.83 -4.19 1.08 0.99 -0.14 -4.57 117.46 110.79 2c3u n PHE 801 Ca 0.08 -0.78 -0.23 0.00 -0.00 0.00 0.00 57.45 56.52 2c3u n PHE 801 Cb 0.04 -0.24 -0.06 0.00 -1.00 0.00 0.00 39.48 38.21 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 -2.37 2.64 -0.25 -1.08 -1.52 -0.82 -2.74 119.66 113.52 2c3u s GLN 802 Ca 0.37 -1.19 -0.29 0.00 -1.95 0.00 0.00 55.36 52.31 2c3u s GLN 802 Cb 0.29 -2.40 0.01 0.00 -0.22 0.00 0.00 33.01 30.69 2c3u s GLN 802 CO 0.11 0.40 1.05 -1.21 -0.25 0.00 0.00 175.29 175.38 2c3u s GLU 803 N -3.65 4.22 0.07 2.91 2.02 -1.26 -5.01 118.70 118.00 2c3u s GLU 803 Ca 0.32 1.30 -0.30 0.00 0.02 0.00 0.00 54.97 56.30 2c3u s GLU 803 Cb -0.08 -3.66 -0.05 0.00 0.10 0.00 0.00 34.13 30.44 2c3u s GLU 803 CO 0.22 -0.69 1.03 -1.25 0.02 0.00 0.00 175.26 174.60 2c3u s PRO 804 N 3.29 4.58 -0.37 0.39 0.04 -1.26 -4.45 135.00 137.22 2c3u s PRO 804 Ca 0.44 1.54 0.06 0.00 0.04 0.00 0.00 61.00 63.08 2c3u s PRO 804 Cb -0.14 -3.39 0.60 0.00 0.04 0.00 0.00 34.50 31.61 2c3u s PRO 804 CO 0.08 0.01 1.71 1.28 0.04 0.00 0.00 177.00 180.12 2c3u n LEU 805 N 3.34 5.54 -3.24 -3.56 4.32 -1.26 -4.77 117.00 117.37 2c3u n LEU 805 Ca 0.05 -3.67 -0.02 0.00 -0.02 0.00 0.00 56.01 52.35 2c3u n LEU 805 Cb 0.49 -0.74 -0.04 0.00 -1.62 0.00 0.00 43.42 41.51 2c3u n LEU 805 CO 0.53 1.14 0.06 -0.32 -1.22 0.00 0.00 177.39 177.57 2c3u s MET 806 N -3.26 0.47 0.01 3.23 1.75 -1.25 -1.56 119.30 118.68 2c3u s MET 806 Ca 0.51 0.74 -0.02 0.00 -1.25 0.00 0.00 55.69 55.67 2c3u s MET 806 Cb 0.45 0.08 -0.01 0.00 2.84 0.00 0.00 34.83 38.19 2c3u s MET 806 CO 0.06 -0.69 0.02 -1.21 -0.65 0.00 0.00 175.02 172.55 2c3u s GLU 807 N 2.72 0.26 -1.29 4.11 2.02 0.62 -4.79 118.70 122.36 2c3u s GLU 807 Ca 0.16 -0.38 -0.01 0.00 0.02 0.00 0.00 54.97 54.76 2c3u s GLU 807 Cb -0.15 0.10 0.01 0.00 0.10 0.00 0.00 34.13 34.19 2c3u s GLU 807 CO -0.20 -0.05 0.84 1.19 0.02 0.00 0.00 175.26 177.07 2c3u n PHE 808 N 2.00 -2.08 -1.85 1.61 0.99 -0.86 -4.50 117.46 112.77 2c3u n PHE 808 Ca -0.20 0.89 -0.29 0.00 -0.00 0.00 0.00 57.45 57.84 2c3u n PHE 808 Cb 0.56 -4.63 0.12 0.00 -1.00 0.00 0.00 39.48 34.53 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 -4.23 4.06 -0.04 4.37 1.04 -1.26 -4.82 113.70 112.82 2c3u s SER 809 Ca 0.08 0.70 0.03 0.00 0.48 0.00 0.00 55.95 57.24 2c3u s SER 809 Cb -0.04 -1.12 0.16 0.00 0.10 0.00 0.00 66.02 65.13 2c3u s SER 809 CO 0.78 -2.18 0.80 0.61 0.98 0.00 0.00 173.24 174.23 2c3u n GLY 810 N -3.23 1.53 3.75 7.32 0.00 -1.26 -4.92 105.19 108.38 2c3u n GLY 810 Ca 0.09 -0.18 -0.31 0.00 0.00 0.00 0.00 46.02 45.62 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 -1.41 2.16 0.75 4.61 0.00 -1.26 -1.67 121.76 124.94 2c3u s ALA 811 Ca 0.11 0.34 -0.14 0.00 0.00 0.00 0.00 51.96 52.27 2c3u s ALA 811 Cb 0.08 -3.30 0.05 0.00 0.00 0.00 0.00 23.12 19.95 2c3u s ALA 811 CO 0.04 -1.87 1.19 0.00 0.00 0.00 0.00 175.76 175.12 2c3u s SER 813 N -2.19 6.46 0.00 0.00 0.01 -1.26 -1.78 113.70 114.94 2c3u s SER 813 Ca 0.73 2.83 0.00 0.00 1.31 0.00 0.00 55.95 60.82 2c3u s SER 813 Cb -0.28 -2.62 0.00 0.00 0.21 0.00 0.00 66.02 63.34 2c3u s SER 813 CO 0.47 -0.87 0.00 0.61 0.41 0.00 0.00 173.24 173.86 2c3u n GLY 814 N 2.79 0.66 3.53 3.44 0.00 -1.26 -4.87 105.19 109.48 2c3u n GLY 814 Ca 0.10 0.00 -0.52 0.00 0.00 0.00 0.00 46.02 45.60 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 1.93 -1.27 0.08 0.00 0.00 -0.95 -4.15 105.19 100.82 2c3u n GLY 816 Ca 0.17 -0.19 -0.17 0.00 0.00 0.00 0.00 46.02 45.83 2c3u n GLY 816 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2c3u h GLU 817 N 0.15 0.00 -0.10 1.61 5.08 -1.89 -3.40 114.58 116.03 2c3u h GLU 817 Ca 0.00 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.35 2c3u h GLU 817 Cb 0.43 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.67 2c3u h GLU 817 CO 0.00 1.00 0.03 1.79 -1.00 0.00 0.00 179.01 180.82 2c3u h THR 818 N -1.00 1.06 -0.69 1.13 1.35 -1.85 -2.98 112.91 109.92 2c3u h THR 818 Ca -0.14 -0.19 0.01 0.00 -0.55 0.00 0.00 66.41 65.54 2c3u h THR 818 Cb 1.12 0.95 -0.03 0.00 -1.73 0.00 0.00 68.15 68.46 2c3u h THR 818 CO -0.09 0.07 0.46 -0.65 -0.25 0.00 0.00 175.52 175.06 2c3u h PRO 819 N 0.14 0.91 -0.08 4.72 0.11 -1.77 -1.51 132.00 134.52 2c3u h PRO 819 Ca 0.04 -0.05 0.02 0.00 0.11 0.00 0.00 66.00 66.11 2c3u h PRO 819 Cb 0.06 -0.21 -0.02 0.00 0.11 0.00 0.00 31.00 30.95 2c3u h PRO 819 CO -0.00 0.60 -0.03 1.88 -0.21 0.00 0.00 178.00 180.24 2c3u h TYR 820 N 0.94 -0.06 -0.64 0.65 -1.99 -1.78 -2.46 116.97 111.63 2c3u h TYR 820 Ca 0.25 0.01 -0.06 0.00 2.00 0.00 0.00 58.73 60.93 2c3u h TYR 820 Cb -0.11 0.04 -0.03 0.00 2.00 0.00 0.00 36.73 38.63 2c3u h TYR 820 CO -0.03 -0.04 0.15 -0.39 -0.00 0.00 0.00 178.16 177.85 2c3u h VAL 821 N -0.01 1.25 0.15 -2.88 -1.51 -1.52 -1.65 116.25 110.08 2c3u h VAL 821 Ca 0.04 -0.92 0.02 0.00 -1.23 0.00 0.00 66.70 64.60 2c3u h VAL 821 Cb 0.07 0.60 -0.04 0.00 -2.13 0.00 0.00 31.29 29.79 2c3u h VAL 821 CO -0.09 0.35 -0.31 -0.09 -1.23 0.00 0.00 177.57 176.20 2c3u h ARG 822 N 0.96 -0.53 0.00 5.19 2.43 -0.99 -1.40 114.38 120.04 2c3u h ARG 822 Ca 0.20 0.04 -0.05 0.00 -0.81 0.00 0.00 59.98 59.36 2c3u h ARG 822 Cb 0.35 0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 30.01 2c3u h ARG 822 CO 0.00 -0.35 -0.23 -0.39 -1.51 0.00 0.00 179.97 177.49 2c3u h VAL 823 N -0.55 0.93 -0.74 0.20 -1.51 -1.27 -1.59 116.25 111.72 2c3u h VAL 823 Ca 0.02 -0.86 0.01 0.00 -1.23 0.00 0.00 66.70 64.64 2c3u h VAL 823 Cb 0.57 1.50 -0.04 0.00 -2.13 0.00 0.00 31.29 31.19 2c3u h VAL 823 CO -0.16 0.22 0.49 0.40 -1.23 0.00 0.00 177.57 177.29 2c3u h ILE 824 N 0.00 1.18 0.00 7.19 2.04 -0.41 -0.08 117.51 127.44 2c3u h ILE 824 Ca -0.00 -0.34 0.00 0.00 1.00 0.00 0.00 64.86 65.52 2c3u h ILE 824 Cb 0.48 0.10 0.00 0.00 -0.74 0.00 0.00 36.82 36.66 2c3u h ILE 824 CO 0.03 0.18 0.00 0.71 0.00 0.00 0.00 178.15 179.07 2c3u h THR 825 N 1.00 0.00 0.00 -0.27 1.35 -0.30 -1.51 112.91 113.17 2c3u h THR 825 Ca 0.27 -0.27 0.00 0.00 -0.55 0.00 0.00 66.41 65.86 2c3u h THR 825 Cb -0.11 1.04 0.00 0.00 -1.73 0.00 0.00 68.15 67.36 2c3u h THR 825 CO -0.06 0.00 -0.10 1.56 -0.25 0.00 0.00 175.52 176.66 2c3u h GLN 826 N 0.00 0.00 0.00 4.72 4.20 -0.60 -1.38 115.11 122.05 2c3u h GLN 826 Ca 0.00 0.00 -0.31 0.00 0.06 0.00 0.00 58.65 58.40 2c3u h GLN 826 Cb 0.40 0.00 -0.06 0.00 0.30 0.00 0.00 27.48 28.13 2c3u h GLN 826 CO 0.00 0.00 -2.16 1.28 -0.67 0.00 0.00 178.83 177.28 2c3u n LEU 827 N -2.40 0.80 0.00 1.46 4.32 -0.77 -4.80 117.00 115.62 2c3u n LEU 827 Ca 0.05 -0.03 0.00 0.00 -0.02 0.00 0.00 56.01 56.01 2c3u n LEU 827 Cb 0.45 0.10 0.00 0.00 -1.62 0.00 0.00 43.42 42.35 2c3u n LEU 827 CO 0.32 0.53 0.06 0.49 -1.22 0.00 0.00 177.39 177.57 2c3u n PHE 828 N -2.75 0.00 -0.30 -1.77 3.01 -0.64 -4.93 117.46 110.07 2c3u n PHE 828 Ca -0.30 0.00 -0.02 0.00 1.01 0.00 0.00 57.45 58.14 2c3u n PHE 828 Cb 1.01 0.00 0.01 0.00 -0.01 0.00 0.00 39.48 40.49 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 0.27 -1.65 0.28 1.37 0.00 -0.52 -1.25 105.19 103.69 2c3u n GLY 829 Ca 0.00 0.87 0.19 0.00 0.00 0.00 0.00 46.02 47.07 2c3u n GLY 829 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 2c3u h GLU 830 N 0.00 0.00 0.00 1.61 9.09 -1.86 -2.93 114.58 120.49 2c3u h GLU 830 Ca 0.24 0.00 -0.09 0.00 0.05 0.00 0.00 59.36 59.56 2c3u h GLU 830 Cb 0.43 0.00 -0.20 0.00 -1.65 0.00 0.00 28.75 27.34 2c3u h GLU 830 CO -0.75 0.00 -0.77 2.89 0.05 0.00 0.00 179.01 180.43 2c3u n ARG 831 N -2.79 0.78 -4.31 1.06 1.85 -0.38 -4.25 116.66 108.63 2c3u n ARG 831 Ca -0.02 -2.64 -0.28 0.00 -1.00 0.00 0.00 57.85 53.91 2c3u n ARG 831 Cb 0.07 -0.80 -0.10 0.00 -1.05 0.00 0.00 32.46 30.57 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 -1.60 1.92 0.03 2.89 0.23 -1.15 -0.33 119.30 121.28 2c3u s MET 832 Ca 0.36 -1.27 0.03 0.00 -1.03 0.00 0.00 55.69 53.78 2c3u s MET 832 Cb 0.38 -2.11 -0.04 0.00 -1.53 0.00 0.00 34.83 31.53 2c3u s MET 832 CO -0.12 0.44 -0.03 -0.06 -2.03 0.00 0.00 175.02 173.23 2c3u s PHE 833 N -1.54 2.97 -0.11 3.16 0.40 0.19 -1.30 117.98 121.75 2c3u s PHE 833 Ca 0.22 0.00 -0.01 0.00 -0.60 0.00 0.00 56.93 56.55 2c3u s PHE 833 Cb -0.09 -1.61 0.03 0.00 0.51 0.00 0.00 43.02 41.86 2c3u s PHE 833 CO 0.13 0.43 -0.07 0.42 0.70 0.00 0.00 175.22 176.83 2c3u s ILE 834 N -1.11 0.98 -0.43 0.64 1.01 0.72 -0.52 121.20 122.50 2c3u s ILE 834 Ca 0.20 -0.27 -0.12 0.00 0.00 0.00 0.00 60.65 60.46 2c3u s ILE 834 Cb -0.11 -1.02 0.06 0.00 0.01 0.00 0.00 42.46 41.40 2c3u s ILE 834 CO 0.11 0.35 0.30 0.00 0.00 0.00 0.00 174.94 175.70 2c3u s ALA 835 N 1.73 3.39 -0.26 9.38 0.00 0.88 -1.64 121.76 135.23 2c3u s ALA 835 Ca 0.05 -2.04 -0.08 0.00 0.00 0.00 0.00 51.96 49.89 2c3u s ALA 835 Cb -0.13 -2.79 -0.02 0.00 0.00 0.00 0.00 23.12 20.18 2c3u s ALA 835 CO -0.08 -1.62 0.08 1.21 0.00 0.00 0.00 175.76 175.35 2c3u s ASN 836 N 2.15 5.18 0.55 0.00 3.84 -0.03 -0.92 114.94 125.72 2c3u s ASN 836 Ca 0.03 -0.30 -0.20 0.00 0.21 0.00 0.00 52.86 52.60 2c3u s ASN 836 Cb -0.23 -1.93 -0.05 0.00 -0.55 0.00 0.00 41.25 38.50 2c3u s ASN 836 CO 0.05 -0.07 1.20 0.00 -2.79 0.00 0.00 177.10 175.48 2c3u s ALA 837 N 1.60 2.68 0.41 1.71 0.00 0.04 -4.14 121.76 124.07 2c3u s ALA 837 Ca 0.06 0.99 -0.26 0.00 0.00 0.00 0.00 51.96 52.74 2c3u s ALA 837 Cb -0.16 -3.43 -0.09 0.00 0.00 0.00 0.00 23.12 19.45 2c3u s ALA 837 CO 0.04 -1.00 1.36 0.99 0.00 0.00 0.00 175.76 177.14 2c3u s THR 838 N -1.60 2.41 -5.00 0.00 2.01 -1.16 -4.11 115.64 108.19 2c3u s THR 838 Ca 0.73 0.38 0.00 0.00 0.31 0.00 0.00 61.69 63.11 2c3u s THR 838 Cb -0.29 -3.22 0.00 0.00 0.01 0.00 0.00 72.50 68.99 2c3u s THR 838 CO 0.33 0.06 0.00 0.61 -0.69 0.00 0.00 174.62 174.93 2c3u n GLY 839 N 0.63 -0.73 0.32 4.40 0.00 -1.26 -4.82 105.19 103.73 2c3u n GLY 839 Ca 0.04 -1.36 0.05 0.00 0.00 0.00 0.00 46.02 44.74 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 0.79 0.00 0.30 0.00 4.64 -1.92 0.39 113.55 117.75 2c3u h SER 841 Ca 0.43 0.00 -0.33 0.00 -0.47 0.00 0.00 61.79 61.42 2c3u h SER 841 Cb 0.45 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.51 2c3u h SER 841 CO -0.28 0.02 -1.87 -1.54 -0.87 0.00 0.00 176.83 172.29 2c3u n SER 842 N -3.39 1.49 -0.02 4.97 3.41 -0.27 -2.33 113.62 117.48 2c3u n SER 842 Ca -0.02 0.30 -0.13 0.00 -0.26 0.00 0.00 58.87 58.76 2c3u n SER 842 Cb 0.12 -0.44 -0.10 0.00 -0.26 0.00 0.00 64.21 63.53 2c3u n SER 842 CO 0.00 0.00 0.00 0.40 -0.16 0.00 0.00 175.04 175.28 2c3u h ILE 843 N 0.04 1.39 0.00 -1.33 1.08 0.18 0.36 117.51 119.23 2c3u h ILE 843 Ca -0.36 -1.18 -0.03 0.00 -0.39 0.00 0.00 64.86 62.90 2c3u h ILE 843 Cb 2.03 2.14 -0.00 0.00 -3.07 0.00 0.00 36.82 37.92 2c3u h ILE 843 CO 0.08 0.31 -0.15 4.11 -0.69 0.00 0.00 178.15 181.81 2c3u h TRP 844 N -0.43 0.00 -0.07 1.37 5.08 -0.48 -3.04 115.95 118.38 2c3u h TRP 844 Ca 0.00 0.00 -0.17 0.00 1.08 0.00 0.00 58.89 59.80 2c3u h TRP 844 Cb 0.52 0.00 -0.01 0.00 -3.00 0.00 0.00 29.16 26.67 2c3u h TRP 844 CO 0.10 0.15 -0.71 0.78 -1.28 0.00 0.00 178.44 177.48 2c3u h GLY 845 N 3.30 0.36 -5.06 11.11 0.00 -1.29 -3.35 103.07 108.14 2c3u h GLY 845 Ca -0.00 -0.51 -0.25 0.00 0.00 0.00 0.00 47.33 46.57 2c3u h GLY 845 CO 0.02 0.45 -0.49 0.00 0.00 0.00 0.00 176.54 176.52 2c3u n ALA 846 N -2.49 0.63 -2.61 3.60 0.00 0.13 -4.28 120.51 115.48 2c3u n ALA 846 Ca -0.04 -1.61 -0.42 0.00 0.00 0.00 0.00 53.44 51.38 2c3u n ALA 846 Cb 0.69 -1.05 -0.05 0.00 0.00 0.00 0.00 19.45 19.03 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 -1.43 6.62 0.48 0.00 0.01 -1.15 -4.92 113.70 113.30 2c3u s SER 847 Ca 0.23 0.63 -0.24 0.00 1.31 0.00 0.00 55.95 57.89 2c3u s SER 847 Cb 0.36 -2.38 -0.08 0.00 0.21 0.00 0.00 66.02 64.13 2c3u s SER 847 CO -0.06 -0.55 1.26 0.00 0.41 0.00 0.00 173.24 174.30 2c3u n ALA 848 N 6.06 1.27 -0.66 1.44 0.00 -1.26 -1.59 120.51 125.76 2c3u n ALA 848 Ca 0.02 0.20 0.09 0.00 0.00 0.00 0.00 53.44 53.75 2c3u n ALA 848 Cb 0.48 -2.28 0.37 0.00 0.00 0.00 0.00 19.45 18.03 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 -0.37 3.90 -3.00 0.00 -0.04 -1.26 -5.02 135.00 129.21 2c3u n PRO 849 Ca 0.08 -2.94 -0.42 0.00 -0.04 0.00 0.00 63.50 60.18 2c3u n PRO 849 Cb 0.42 -1.95 -0.06 0.00 -0.04 0.00 0.00 33.50 31.88 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 -0.90 6.51 -0.32 3.54 0.15 -0.62 -4.81 113.70 117.26 2c3u s SER 850 Ca 0.52 0.28 0.00 0.00 0.70 0.00 0.00 55.95 57.45 2c3u s SER 850 Cb 0.34 -2.38 0.07 0.00 -1.71 0.00 0.00 66.02 62.35 2c3u s SER 850 CO 0.24 -0.70 0.01 -0.04 1.20 0.00 0.00 173.24 173.96 2c3u s MET 851 N 2.99 2.12 0.33 5.44 -1.94 -1.26 -3.89 119.30 123.09 2c3u s MET 851 Ca 0.29 -1.50 0.17 0.00 -1.71 0.00 0.00 55.69 52.94 2c3u s MET 851 Cb -0.14 -3.17 0.43 0.00 2.01 0.00 0.00 34.83 33.96 2c3u s MET 851 CO 0.16 -0.74 1.61 -1.00 -0.01 0.00 0.00 175.02 175.04 2c3u h PRO 852 N 7.87 0.00 -6.81 2.03 0.13 -1.79 -2.50 132.00 130.93 2c3u h PRO 852 Ca -0.16 0.00 -0.50 0.00 -0.87 0.00 0.00 66.00 64.47 2c3u h PRO 852 Cb 1.05 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.19 2c3u h PRO 852 CO 0.54 0.45 0.45 0.71 -0.23 0.00 0.00 178.00 179.92 2c3u s TYR 853 N -3.34 3.62 0.23 1.56 1.51 -1.26 -0.27 117.35 119.40 2c3u s TYR 853 Ca 0.01 1.73 0.00 0.00 -1.01 0.00 0.00 57.07 57.81 2c3u s TYR 853 Cb 0.10 -3.23 -0.04 0.00 -0.11 0.00 0.00 41.96 38.67 2c3u s TYR 853 CO 0.71 -0.41 0.12 -1.59 -1.11 0.00 0.00 175.55 173.28 2c3u s LYS 854 N -1.47 1.31 0.35 -0.62 -2.85 -0.60 -0.20 119.74 115.65 2c3u s LYS 854 Ca 0.45 -1.70 0.01 0.00 -1.00 0.00 0.00 55.97 53.73 2c3u s LYS 854 Cb -0.31 0.06 -0.03 0.00 -2.06 0.00 0.00 37.83 35.50 2c3u s LYS 854 CO 0.39 -0.37 0.55 0.95 0.10 0.00 0.00 175.35 176.97 2c3u s THR 855 N -3.97 5.01 0.27 3.79 -4.23 -1.26 -4.48 115.64 110.77 2c3u s THR 855 Ca 0.38 -0.51 -0.03 0.00 -1.18 0.00 0.00 61.69 60.35 2c3u s THR 855 Cb 0.07 -3.82 0.06 0.00 1.34 0.00 0.00 72.50 70.15 2c3u s THR 855 CO 0.13 -0.52 0.37 -0.46 -0.54 0.00 0.00 174.62 173.60 2c3u n ASN 856 N -1.79 0.15 0.15 3.99 0.23 0.25 -4.85 115.26 113.39 2c3u n ASN 856 Ca -0.04 -1.21 0.10 0.00 -0.53 0.00 0.00 54.58 52.90 2c3u n ASN 856 Cb 0.56 -0.27 0.54 0.00 -2.08 0.00 0.00 39.78 38.53 2c3u n ASN 856 CO 0.00 0.00 0.00 -2.11 -0.93 0.00 0.00 177.26 174.22 2c3u n ARG 857 N -1.76 0.13 -0.37 -3.83 1.85 -1.26 -1.42 116.66 110.00 2c3u n ARG 857 Ca 0.05 0.61 0.12 0.00 -1.00 0.00 0.00 57.85 57.62 2c3u n ARG 857 Cb 0.18 -1.92 0.32 0.00 -1.05 0.00 0.00 32.46 29.99 2c3u n ARG 857 CO 0.00 0.00 0.00 1.28 -0.01 0.00 0.00 177.63 178.90 2c3u n LEU 858 N -2.20 3.94 -0.09 2.89 4.32 -1.26 -4.94 117.00 119.65 2c3u n LEU 858 Ca -0.01 -1.99 -0.01 0.00 -0.02 0.00 0.00 56.01 53.97 2c3u n LEU 858 Cb 0.05 -0.48 -0.01 0.00 -1.62 0.00 0.00 43.42 41.36 2c3u n LEU 858 CO 0.10 0.98 -0.01 0.61 -1.22 0.00 0.00 177.39 177.85 2c3u n GLY 859 N 1.63 0.50 3.89 -0.72 0.00 -0.51 -5.02 105.19 104.95 2c3u n GLY 859 Ca 0.24 -0.31 -0.31 0.00 0.00 0.00 0.00 46.02 45.65 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 -1.01 3.33 -0.10 1.61 -0.21 -1.26 -4.81 119.66 117.22 2c3u s GLN 860 Ca 0.00 -0.48 -0.33 0.00 0.02 0.00 0.00 55.36 54.57 2c3u s GLN 860 Cb 0.00 -2.99 0.14 0.00 1.00 0.00 0.00 33.01 31.17 2c3u s GLN 860 CO 0.00 0.61 1.40 0.20 -2.12 0.00 0.00 175.29 175.38 2c3u s GLY 861 N -2.44 -0.46 0.16 3.09 0.00 -1.26 0.85 107.32 107.27 2c3u s GLY 861 Ca 0.33 1.01 -0.33 0.00 0.00 0.00 0.00 44.72 45.73 2c3u s GLY 861 CO 0.26 0.21 1.65 -1.05 0.00 0.00 0.00 173.10 174.17 2c3u n PRO 862 N -0.45 2.36 -2.91 2.90 -0.02 -1.12 -4.70 135.00 131.07 2c3u n PRO 862 Ca -0.08 0.85 -0.43 0.00 -2.02 0.00 0.00 63.50 61.82 2c3u n PRO 862 Cb 0.63 -2.65 -0.05 0.00 -0.02 0.00 0.00 33.50 31.41 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 1.21 3.26 -0.10 3.55 0.00 -0.42 -4.94 121.76 124.33 2c3u s ALA 863 Ca 0.78 -0.96 -0.01 0.00 0.00 0.00 0.00 51.96 51.77 2c3u s ALA 863 Cb -0.62 -3.55 -0.03 0.00 0.00 0.00 0.00 23.12 18.92 2c3u s ALA 863 CO 0.37 -2.01 -0.04 -0.46 0.00 0.00 0.00 175.76 173.62 2c3u s TRP 864 N 3.49 3.04 -0.12 0.00 -0.00 -1.26 -0.20 118.94 123.89 2c3u s TRP 864 Ca 0.32 0.01 -0.12 0.00 -0.00 0.00 0.00 56.10 56.31 2c3u s TRP 864 Cb -0.12 -1.80 0.03 0.00 -0.00 0.00 0.00 33.47 31.59 2c3u s TRP 864 CO 0.24 0.29 0.33 0.20 -0.00 0.00 0.00 176.95 178.01 2c3u s GLY 865 N -0.56 -0.24 -0.26 5.86 0.00 -0.65 -4.98 107.32 106.49 2c3u s GLY 865 Ca 0.09 0.90 -0.01 0.00 0.00 0.00 0.00 44.72 45.70 2c3u s GLY 865 CO 0.02 0.77 -0.06 0.21 0.00 0.00 0.00 173.10 174.04 2c3u s ASN 866 N 0.10 4.45 0.00 1.64 2.47 -1.26 -0.85 114.94 121.49 2c3u s ASN 866 Ca -0.01 -1.09 0.00 0.00 0.42 0.00 0.00 52.86 52.18 2c3u s ASN 866 Cb -0.02 -1.64 0.00 0.00 -1.45 0.00 0.00 41.25 38.13 2c3u s ASN 866 CO 0.01 -0.17 0.00 -0.24 -3.72 0.00 0.00 177.10 172.97 2c3u n SER 867 N 4.60 0.00 -2.02 -4.21 2.88 -1.26 -5.02 113.62 108.59 2c3u n SER 867 Ca -0.15 0.00 -0.07 0.00 -1.33 0.00 0.00 58.87 57.32 2c3u n SER 867 Cb 0.45 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 63.89 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 -0.41 0.00 0.08 2.46 4.77 -1.26 -4.98 117.00 117.66 2c3u n LEU 868 Ca 0.00 -0.89 -0.20 0.00 -0.03 0.00 0.00 56.01 54.88 2c3u n LEU 868 Cb 0.00 0.34 -0.15 0.00 -2.33 0.00 0.00 43.42 41.28 2c3u n LEU 868 CO 0.00 -0.14 -0.37 0.15 -1.33 0.00 0.00 177.39 175.70 2c3u h PHE 869 N 1.22 0.65 0.00 -1.77 3.57 -1.93 -3.06 116.94 115.62 2c3u h PHE 869 Ca -0.08 -0.47 0.00 0.00 3.53 0.00 0.00 57.97 60.94 2c3u h PHE 869 Cb 0.34 -0.03 0.00 0.00 2.79 0.00 0.00 35.95 39.06 2c3u h PHE 869 CO 0.00 1.51 -0.46 1.05 -2.23 0.00 0.00 178.31 178.19 2c3u h GLU 870 N 0.10 0.00 -0.17 1.11 9.09 -1.95 -3.40 114.58 119.36 2c3u h GLU 870 Ca -0.27 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.14 2c3u h GLU 870 Cb 2.07 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 29.17 2c3u h GLU 870 CO 0.19 0.00 0.00 -0.40 0.05 0.00 0.00 179.01 178.85 2c3u n ASP 871 N -2.32 3.24 -0.17 3.06 3.85 -1.26 -4.28 116.55 118.68 2c3u n ASP 871 Ca 0.03 -2.95 -0.02 0.00 -0.71 0.00 0.00 54.79 51.15 2c3u n ASP 871 Cb 0.46 -0.47 0.07 0.00 -1.35 0.00 0.00 41.12 39.83 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 1.14 0.52 -0.01 2.12 0.00 -1.77 0.63 119.26 121.89 2c3u h ALA 872 Ca 0.00 0.15 -0.00 0.00 0.00 0.00 0.00 54.91 55.06 2c3u h ALA 872 Cb 1.22 0.25 -0.00 0.00 0.00 0.00 0.00 17.79 19.26 2c3u h ALA 872 CO 0.13 -0.37 0.00 0.00 0.00 0.00 0.00 179.25 179.01 2c3u h ALA 873 N 1.46 0.01 0.00 0.00 0.00 -1.89 -0.61 119.26 118.23 2c3u h ALA 873 Ca 0.27 -0.06 -0.06 0.00 0.00 0.00 0.00 54.91 55.06 2c3u h ALA 873 Cb 0.40 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 2c3u h ALA 873 CO -0.42 -0.44 -0.30 1.05 0.00 0.00 0.00 179.25 179.14 2c3u h GLU 874 N -0.10 0.00 -0.33 0.00 9.09 -1.77 0.34 114.58 121.82 2c3u h GLU 874 Ca 0.00 0.00 -0.04 0.00 0.05 0.00 0.00 59.36 59.37 2c3u h GLU 874 Cb 0.11 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 27.20 2c3u h GLU 874 CO -0.00 0.30 0.05 -0.92 0.05 0.00 0.00 179.01 178.48 2c3u h TYR 875 N 0.00 0.58 -0.36 2.06 3.20 -0.52 0.53 116.97 122.45 2c3u h TYR 875 Ca -0.00 -0.08 -0.13 0.00 3.14 0.00 0.00 58.73 61.65 2c3u h TYR 875 Cb 0.60 -0.16 -0.01 0.00 1.54 0.00 0.00 36.73 38.70 2c3u h TYR 875 CO 0.00 0.62 -0.29 0.78 -1.64 0.00 0.00 178.16 177.63 2c3u h GLY 876 N 0.37 0.85 0.74 1.82 0.00 -0.42 -2.56 103.07 103.87 2c3u h GLY 876 Ca 0.10 -0.78 0.06 0.00 0.00 0.00 0.00 47.33 46.71 2c3u h GLY 876 CO 0.01 0.70 0.52 -2.75 0.00 0.00 0.00 176.54 175.03 2c3u h PHE 877 N 0.66 0.97 -0.35 5.60 3.57 0.13 -1.48 116.94 126.04 2c3u h PHE 877 Ca 0.08 0.03 -0.06 0.00 3.53 0.00 0.00 57.97 61.55 2c3u h PHE 877 Cb 0.83 -0.31 -0.02 0.00 2.79 0.00 0.00 35.95 39.23 2c3u h PHE 877 CO 0.04 0.50 -0.02 0.78 -2.23 0.00 0.00 178.31 177.38 2c3u h GLY 878 N 0.97 0.59 1.32 2.40 0.00 -0.52 -0.29 103.07 107.53 2c3u h GLY 878 Ca 0.37 -0.36 -0.09 0.00 0.00 0.00 0.00 47.33 47.24 2c3u h GLY 878 CO -0.17 0.34 -0.10 -0.33 0.00 0.00 0.00 176.54 176.28 2c3u h MET 879 N 0.52 0.81 -0.62 4.80 2.86 -0.96 -1.85 114.93 120.48 2c3u h MET 879 Ca 0.11 -0.27 -0.07 0.00 -2.06 0.00 0.00 59.70 57.41 2c3u h MET 879 Cb 0.37 -0.07 -0.02 0.00 0.06 0.00 0.00 31.60 31.94 2c3u h MET 879 CO 0.01 0.88 0.10 -0.97 1.06 0.00 0.00 176.91 177.99 2c3u h ASN 880 N 0.73 0.99 -0.43 1.22 -0.73 -0.49 -2.18 115.58 114.69 2c3u h ASN 880 Ca 0.12 -0.26 -0.01 0.00 1.87 0.00 0.00 56.30 58.02 2c3u h ASN 880 Cb 0.59 -0.26 -0.02 0.00 0.27 0.00 0.00 38.32 38.89 2c3u h ASN 880 CO 0.04 1.00 0.23 0.24 -0.37 0.00 0.00 177.43 178.57 2c3u h MET 881 N 0.95 0.61 0.15 6.67 2.86 -0.71 -1.38 114.93 124.09 2c3u h MET 881 Ca 0.19 -0.08 0.01 0.00 -2.06 0.00 0.00 59.70 57.76 2c3u h MET 881 Cb 0.43 -0.12 -0.02 0.00 0.06 0.00 0.00 31.60 31.96 2c3u h MET 881 CO 0.01 0.51 -0.19 1.03 1.06 0.00 0.00 176.91 179.33 2c3u h SER 882 N 0.56 -0.51 -0.76 1.22 0.87 -1.16 0.26 113.55 114.03 2c3u h SER 882 Ca 0.15 0.05 0.11 0.00 -1.23 0.00 0.00 61.79 60.87 2c3u h SER 882 Cb 0.08 0.18 -0.08 0.00 -0.44 0.00 0.00 62.40 62.15 2c3u h SER 882 CO -0.02 -0.28 0.39 0.24 -0.53 0.00 0.00 176.83 176.63 2c3u h MET 883 N -0.39 0.61 -0.18 2.24 2.86 -1.26 0.89 114.93 119.70 2c3u h MET 883 Ca 0.01 -0.04 -0.00 0.00 -2.06 0.00 0.00 59.70 57.61 2c3u h MET 883 Cb 0.38 -0.14 -0.01 0.00 0.06 0.00 0.00 31.60 31.90 2c3u h MET 883 CO -0.07 0.40 0.10 0.35 1.06 0.00 0.00 176.91 178.75 2c3u h PHE 884 N 0.63 0.24 -0.19 -0.22 3.57 -0.55 0.19 116.94 120.62 2c3u h PHE 884 Ca 0.39 -0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.86 2c3u h PHE 884 Cb 0.44 -0.08 -0.01 0.00 2.79 0.00 0.00 35.95 39.10 2c3u h PHE 884 CO -0.10 0.22 0.05 0.00 -2.23 0.00 0.00 178.31 176.26 2c3u h ALA 885 N 1.00 0.26 -0.20 2.41 0.00 -0.17 -1.79 119.26 120.77 2c3u h ALA 885 Ca 0.06 -0.15 -0.15 0.00 0.00 0.00 0.00 54.91 54.68 2c3u h ALA 885 Cb 0.06 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 2c3u h ALA 885 CO -0.01 -0.11 -0.51 0.00 0.00 0.00 0.00 179.25 178.62 2c3u h ARG 886 N 0.13 0.54 0.00 0.00 3.08 -0.77 -2.05 114.38 115.31 2c3u h ARG 886 Ca 0.06 -0.32 -0.07 0.00 0.07 0.00 0.00 59.98 59.72 2c3u h ARG 886 Cb 0.26 0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.33 2c3u h ARG 886 CO -0.00 0.93 -0.33 0.00 -1.07 0.00 0.00 179.97 179.50 2c3u h ARG 887 N 0.43 0.00 -0.15 0.04 3.08 -0.62 -1.08 114.38 116.08 2c3u h ARG 887 Ca 0.02 0.00 -0.19 0.00 0.07 0.00 0.00 59.98 59.87 2c3u h ARG 887 Cb 1.04 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.09 2c3u h ARG 887 CO 0.10 0.33 -0.68 1.15 -1.07 0.00 0.00 179.97 179.79 2c3u h THR 888 N 0.00 1.32 -0.09 2.04 2.02 -1.18 -0.63 112.91 116.38 2c3u h THR 888 Ca -0.00 -1.96 -0.00 0.00 0.77 0.00 0.00 66.41 65.22 2c3u h THR 888 Cb 1.06 1.93 -0.00 0.00 -1.74 0.00 0.00 68.15 69.40 2c3u h THR 888 CO 0.04 0.61 0.05 -0.74 0.37 0.00 0.00 175.52 175.85 2c3u h HIS 889 N 0.45 0.13 -0.75 3.16 -0.00 -0.99 -0.75 115.15 116.40 2c3u h HIS 889 Ca -0.02 -0.01 0.08 0.00 -0.00 0.00 0.00 60.37 60.42 2c3u h HIS 889 Cb 1.27 -0.04 -0.06 0.00 -0.00 0.00 0.00 27.41 28.58 2c3u h HIS 889 CO 0.06 0.19 0.42 1.25 -0.00 0.00 0.00 177.93 179.85 2c3u h LEU 890 N 0.04 0.61 -1.41 0.26 5.85 -1.08 -0.68 115.31 118.89 2c3u h LEU 890 Ca 0.03 0.04 -0.05 0.00 0.84 0.00 0.00 57.88 58.74 2c3u h LEU 890 Cb 0.10 -0.08 -0.01 0.00 0.37 0.00 0.00 40.66 41.05 2c3u h LEU 890 CO -0.00 0.37 -0.24 0.00 -0.34 0.00 0.00 178.44 178.23 2c3u h ALA 891 N 1.40 1.17 -0.11 1.25 0.00 -0.69 0.03 119.26 122.30 2c3u h ALA 891 Ca 0.35 -0.21 -0.16 0.00 0.00 0.00 0.00 54.91 54.89 2c3u h ALA 891 Cb 0.27 -0.04 0.01 0.00 0.00 0.00 0.00 17.79 18.03 2c3u h ALA 891 CO -0.22 0.29 -0.54 -0.44 0.00 0.00 0.00 179.25 178.35 2c3u h ASP 892 N 0.00 0.67 -0.68 0.00 5.19 0.29 -1.64 116.42 120.26 2c3u h ASP 892 Ca -0.00 -0.64 -0.07 0.00 -0.62 0.00 0.00 57.03 55.70 2c3u h ASP 892 Cb 0.60 -0.20 -0.03 0.00 0.18 0.00 0.00 39.33 39.89 2c3u h ASP 892 CO 0.03 1.20 0.14 -0.07 -3.12 0.00 0.00 179.24 177.42 2c3u h LEU 893 N 0.19 1.05 -0.29 1.55 -0.00 -0.86 -1.76 115.31 115.19 2c3u h LEU 893 Ca -0.04 -0.23 -0.00 0.00 -0.00 0.00 0.00 57.88 57.61 2c3u h LEU 893 Cb 1.18 -0.28 -0.01 0.00 -0.00 0.00 0.00 40.66 41.55 2c3u h LEU 893 CO 0.11 1.02 0.18 0.00 -0.00 0.00 0.00 178.44 179.75 2c3u h ALA 894 N 1.10 0.37 -0.88 1.53 0.00 -0.95 0.12 119.26 120.55 2c3u h ALA 894 Ca 0.21 -0.04 0.01 0.00 0.00 0.00 0.00 54.91 55.09 2c3u h ALA 894 Cb 0.40 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 18.03 2c3u h ALA 894 CO 0.01 -0.14 0.58 0.00 0.00 0.00 0.00 179.25 179.70 2c3u h ALA 895 N 1.07 1.12 -0.42 0.00 0.00 -1.06 -2.48 119.26 117.49 2c3u h ALA 895 Ca 0.10 -0.06 -0.07 0.00 0.00 0.00 0.00 54.91 54.88 2c3u h ALA 895 Cb -0.00 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 17.42 2c3u h ALA 895 CO -0.02 0.53 -0.02 0.87 0.00 0.00 0.00 179.25 180.61 2c3u h LYS 896 N 1.20 0.76 0.00 0.00 1.57 -0.74 -2.75 116.57 116.61 2c3u h LYS 896 Ca 0.32 -0.25 -0.00 0.00 -1.87 0.00 0.00 60.65 58.85 2c3u h LYS 896 Cb -0.13 -0.06 -0.00 0.00 0.08 0.00 0.00 32.23 32.11 2c3u h LYS 896 CO -0.07 0.85 -0.00 0.00 -0.57 0.00 0.00 179.45 179.65 2c3u h ALA 897 N 0.89 1.62 0.00 3.86 0.00 -0.42 -1.05 119.26 124.16 2c3u h ALA 897 Ca 0.12 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.02 2c3u h ALA 897 Cb 0.52 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.31 2c3u h ALA 897 CO 0.03 0.01 0.00 -0.07 0.00 0.00 0.00 179.25 179.21 2c3u h LEU 898 N 0.00 0.00 -3.11 0.00 3.38 -1.14 -1.24 115.31 113.20 2c3u h LEU 898 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2c3u h LEU 898 Cb 0.01 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.76 2c3u h LEU 898 CO 0.00 0.00 0.00 -0.62 0.09 0.00 0.00 178.44 177.91 2c3u n GLU 899 N -2.64 2.99 -0.22 1.13 1.02 -0.40 -4.97 120.64 117.56 2c3u n GLU 899 Ca -0.01 -2.54 0.00 0.00 -0.02 0.00 0.00 57.16 54.59 2c3u n GLU 899 Cb 0.13 -1.63 0.00 0.00 -0.02 0.00 0.00 31.44 29.92 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 0.00 0.00 -1.69 1.62 3.41 -0.47 -5.00 113.62 111.50 2c3u n SER 900 Ca 0.18 -0.27 -0.07 0.00 -0.26 0.00 0.00 58.87 58.44 2c3u n SER 900 Cb 0.72 0.00 0.25 0.00 -0.26 0.00 0.00 64.21 64.91 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 -0.81 3.90 -4.71 4.04 3.85 -1.26 -5.00 116.55 116.55 2c3u n ASP 901 Ca 0.00 -3.41 -0.34 0.00 -0.71 0.00 0.00 54.79 50.32 2c3u n ASP 901 Cb 0.00 -0.71 0.11 0.00 -1.35 0.00 0.00 41.12 39.17 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 -3.10 2.01 0.80 2.12 0.00 -1.26 -4.95 121.76 117.38 2c3u s ALA 902 Ca 0.51 0.93 -0.12 0.00 0.00 0.00 0.00 51.96 53.28 2c3u s ALA 902 Cb 0.43 -3.50 0.08 0.00 0.00 0.00 0.00 23.12 20.13 2c3u s ALA 902 CO 0.09 -2.06 1.16 -1.54 0.00 0.00 0.00 175.76 173.41 2c3u s SER 903 N -1.96 3.81 0.32 0.00 1.04 -1.26 -4.75 113.70 110.90 2c3u s SER 903 Ca 0.75 2.19 0.04 0.00 0.48 0.00 0.00 55.95 59.42 2c3u s SER 903 Cb -0.31 -2.57 0.67 0.00 0.10 0.00 0.00 66.02 63.91 2c3u s SER 903 CO 0.47 -2.51 1.86 1.23 0.98 0.00 0.00 173.24 175.27 2c3u h GLY 904 N -1.01 1.40 0.90 7.32 0.00 -1.99 -0.65 103.07 109.04 2c3u h GLY 904 Ca -0.45 -0.37 -0.03 0.00 0.00 0.00 0.00 47.33 46.48 2c3u h GLY 904 CO 0.47 0.15 -0.31 -0.55 0.00 0.00 0.00 176.54 176.30 2c3u h ASP 905 N 0.87 -0.73 -0.76 0.19 3.45 -1.99 -1.38 116.42 116.07 2c3u h ASP 905 Ca 0.46 -0.01 0.13 0.00 0.43 0.00 0.00 57.03 58.04 2c3u h ASP 905 Cb 0.54 0.19 -0.09 0.00 -0.56 0.00 0.00 39.33 39.41 2c3u h ASP 905 CO -0.22 -0.45 0.34 0.58 -1.57 0.00 0.00 179.24 177.92 2c3u h VAL 906 N -0.97 0.73 -0.24 -1.35 2.07 -1.78 -0.27 116.25 114.44 2c3u h VAL 906 Ca -0.09 -0.18 -0.07 0.00 0.82 0.00 0.00 66.70 67.18 2c3u h VAL 906 Cb 0.69 0.16 -0.01 0.00 -1.52 0.00 0.00 31.29 30.60 2c3u h VAL 906 CO 0.14 0.10 -0.16 0.11 0.02 0.00 0.00 177.57 177.78 2c3u h LYS 907 N 0.52 0.42 0.15 1.57 1.57 -1.06 0.98 116.57 120.72 2c3u h LYS 907 Ca 0.41 -0.12 -0.01 0.00 -1.87 0.00 0.00 60.65 59.06 2c3u h LYS 907 Cb 0.56 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.83 2c3u h LYS 907 CO -0.36 0.57 -0.07 1.49 -0.57 0.00 0.00 179.45 180.51 2c3u h GLU 908 N 0.38 -0.19 -0.79 3.15 4.81 0.00 0.22 114.58 122.16 2c3u h GLU 908 Ca 0.07 0.01 0.02 0.00 -0.13 0.00 0.00 59.36 59.33 2c3u h GLU 908 Cb 0.51 0.04 -0.04 0.00 0.63 0.00 0.00 28.75 29.89 2c3u h GLU 908 CO 0.03 0.15 0.52 0.00 -0.73 0.00 0.00 179.01 178.98 2c3u h ALA 909 N 0.22 1.02 -0.59 2.92 0.00 -0.95 0.27 119.26 122.15 2c3u h ALA 909 Ca -0.02 -0.04 0.02 0.00 0.00 0.00 0.00 54.91 54.86 2c3u h ALA 909 Cb 0.43 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 17.89 2c3u h ALA 909 CO 0.03 0.37 0.38 -0.07 0.00 0.00 0.00 179.25 179.97 2c3u h LEU 910 N 1.03 0.64 -0.31 0.00 4.07 -0.68 0.70 115.31 120.76 2c3u h LEU 910 Ca 0.30 -0.01 -0.06 0.00 0.08 0.00 0.00 57.88 58.19 2c3u h LEU 910 Cb -0.07 -0.15 -0.01 0.00 1.08 0.00 0.00 40.66 41.51 2c3u h LEU 910 CO -0.08 0.46 -0.05 -0.61 -1.08 0.00 0.00 178.44 177.07 2c3u h GLN 911 N 0.77 0.58 -0.87 1.13 5.75 -0.33 -1.37 115.11 120.77 2c3u h GLN 911 Ca 0.23 -0.21 0.04 0.00 -0.15 0.00 0.00 58.65 58.55 2c3u h GLN 911 Cb -0.04 -0.04 -0.05 0.00 1.07 0.00 0.00 27.48 28.42 2c3u h GLN 911 CO -0.07 0.76 0.56 0.78 -2.65 0.00 0.00 178.83 178.21 2c3u h GLY 912 N 0.36 1.27 0.74 2.39 0.00 -0.61 -0.22 103.07 107.01 2c3u h GLY 912 Ca 0.08 -0.43 -0.01 0.00 0.00 0.00 0.00 47.33 46.98 2c3u h GLY 912 CO 0.03 0.36 -0.08 -0.25 0.00 0.00 0.00 176.54 176.60 2c3u h TRP 913 N 1.09 -0.20 -0.86 5.60 7.01 -0.71 -1.40 115.95 126.47 2c3u h TRP 913 Ca 0.35 -0.00 0.17 0.00 2.11 0.00 0.00 58.89 61.52 2c3u h TRP 913 Cb 0.02 0.07 -0.11 0.00 -2.10 0.00 0.00 29.16 27.04 2c3u h TRP 913 CO -0.02 0.08 0.41 -0.07 -2.79 0.00 0.00 178.44 176.06 2c3u h LEU 914 N -0.48 0.44 -0.50 0.65 -0.00 -0.94 0.83 115.31 115.31 2c3u h LEU 914 Ca -0.02 0.12 -0.07 0.00 -0.00 0.00 0.00 57.88 57.91 2c3u h LEU 914 Cb 0.37 0.06 -0.02 0.00 -0.00 0.00 0.00 40.66 41.07 2c3u h LEU 914 CO 0.04 0.13 0.06 0.00 -0.00 0.00 0.00 178.44 178.67 2c3u h ALA 915 N 1.61 0.67 -0.44 1.53 0.00 -0.79 -3.23 119.26 118.62 2c3u h ALA 915 Ca 0.50 -0.25 -0.16 0.00 0.00 0.00 0.00 54.91 55.00 2c3u h ALA 915 Cb 0.80 -0.19 -0.09 0.00 0.00 0.00 0.00 17.79 18.31 2c3u h ALA 915 CO -0.42 0.43 0.07 0.41 0.00 0.00 0.00 179.25 179.73 2c3u n GLY 916 N -0.49 4.42 0.48 0.00 0.00 -0.36 -4.74 105.19 104.49 2c3u n GLY 916 Ca 0.01 -1.12 0.31 0.00 0.00 0.00 0.00 46.02 45.22 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 1.48 0.16 -0.52 1.61 2.10 0.59 0.53 116.57 122.53 2c3u h LYS 917 Ca 0.20 -0.01 0.00 0.00 -2.00 0.00 0.00 60.65 58.84 2c3u h LYS 917 Cb 1.80 -0.04 0.00 0.00 -0.90 0.00 0.00 32.23 33.09 2c3u h LYS 917 CO 0.45 0.11 0.00 0.09 -2.00 0.00 0.00 179.45 178.10 2c3u n ASN 918 N -4.42 3.50 -4.53 7.07 5.03 -1.26 -4.18 115.26 116.46 2c3u n ASN 918 Ca 0.28 -2.07 -0.37 0.00 0.87 0.00 0.00 54.58 53.29 2c3u n ASN 918 Cb 1.17 -0.37 -0.12 0.00 -1.02 0.00 0.00 39.78 39.44 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 -1.03 5.66 0.28 6.41 -1.08 0.15 -4.95 116.67 122.11 2c3u s ASP 919 Ca 0.36 -0.08 0.01 0.00 -0.52 0.00 0.00 52.55 52.32 2c3u s ASP 919 Cb 0.20 -2.04 0.65 0.00 -1.46 0.00 0.00 42.92 40.27 2c3u s ASP 919 CO 0.23 -0.04 1.70 -0.65 0.52 0.00 0.00 175.17 176.93 2c3u h PRO 920 N 8.27 0.39 0.29 4.34 0.11 -1.88 0.14 132.00 143.67 2c3u h PRO 920 Ca -0.36 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 65.71 2c3u h PRO 920 Cb 1.18 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.21 2c3u h PRO 920 CO 0.57 0.26 -0.14 0.82 -0.21 0.00 0.00 178.00 179.30 2c3u h ILE 921 N 0.40 0.00 -0.09 4.15 1.08 -1.94 -3.10 117.51 118.01 2c3u h ILE 921 Ca 0.52 -0.25 -0.05 0.00 -0.39 0.00 0.00 64.86 64.69 2c3u h ILE 921 Cb 0.93 0.00 -0.01 0.00 -3.07 0.00 0.00 36.82 34.67 2c3u h ILE 921 CO -0.50 0.00 -0.19 0.11 -0.69 0.00 0.00 178.15 176.88 2c3u h LYS 922 N -0.64 0.15 -0.47 2.37 1.79 -1.80 -0.49 116.57 117.48 2c3u h LYS 922 Ca -0.04 -0.04 -0.06 0.00 -2.18 0.00 0.00 60.65 58.33 2c3u h LYS 922 Cb 0.30 -0.02 -0.02 0.00 -1.58 0.00 0.00 32.23 30.91 2c3u h LYS 922 CO 0.07 0.35 0.06 0.66 -1.08 0.00 0.00 179.45 179.51 2c3u h SER 923 N 0.14 0.76 -0.32 0.86 4.64 -0.44 -1.89 113.55 117.31 2c3u h SER 923 Ca 0.03 -0.27 -0.15 0.00 -0.47 0.00 0.00 61.79 60.93 2c3u h SER 923 Cb 0.43 -0.20 -0.00 0.00 -0.31 0.00 0.00 62.40 62.31 2c3u h SER 923 CO 0.03 0.84 -0.39 0.50 -0.87 0.00 0.00 176.83 176.93 2c3u h LYS 924 N 0.66 0.83 -0.13 4.77 3.64 -1.40 0.29 116.57 125.22 2c3u h LYS 924 Ca 0.14 -0.47 0.04 0.00 -1.27 0.00 0.00 60.65 59.09 2c3u h LYS 924 Cb 0.41 0.03 -0.04 0.00 -0.41 0.00 0.00 32.23 32.22 2c3u h LYS 924 CO 0.01 1.10 -0.12 1.49 -2.27 0.00 0.00 179.45 179.67 2c3u h GLU 925 N 0.61 -0.13 0.02 1.90 4.81 -0.91 0.22 114.58 121.09 2c3u h GLU 925 Ca 0.04 0.01 -0.20 0.00 -0.13 0.00 0.00 59.36 59.08 2c3u h GLU 925 Cb 0.99 0.03 -0.02 0.00 0.63 0.00 0.00 28.75 30.38 2c3u h GLU 925 CO 0.09 -0.09 -0.95 1.88 -0.73 0.00 0.00 179.01 179.22 2c3u h TYR 926 N -0.14 0.15 -0.50 0.92 -1.99 -1.38 -2.98 116.97 111.05 2c3u h TYR 926 Ca 0.09 -0.09 0.00 0.00 2.00 0.00 0.00 58.73 60.73 2c3u h TYR 926 Cb 0.27 -0.01 -0.02 0.00 2.00 0.00 0.00 36.73 38.96 2c3u h TYR 926 CO -0.24 0.98 0.33 0.78 -0.00 0.00 0.00 178.16 180.01 2c3u h GLY 927 N 2.34 0.70 1.03 3.88 0.00 -0.50 0.11 103.07 110.63 2c3u h GLY 927 Ca -0.04 -0.26 -0.05 0.00 0.00 0.00 0.00 47.33 46.99 2c3u h GLY 927 CO 0.13 0.26 0.26 -0.55 0.00 0.00 0.00 176.54 176.64 2c3u h ASP 928 N 0.68 0.98 -0.84 0.19 3.32 -0.58 0.68 116.42 120.85 2c3u h ASP 928 Ca 0.18 -0.19 0.01 0.00 0.02 0.00 0.00 57.03 57.05 2c3u h ASP 928 Cb -0.08 -0.26 -0.04 0.00 0.22 0.00 0.00 39.33 39.17 2c3u h ASP 928 CO -0.04 0.90 0.54 0.11 -1.72 0.00 0.00 179.24 179.04 2c3u h LYS 929 N 1.01 1.11 -0.83 3.56 1.57 -1.27 -1.62 116.57 120.10 2c3u h LYS 929 Ca 0.23 -0.08 -0.02 0.00 -1.87 0.00 0.00 60.65 58.91 2c3u h LYS 929 Cb 0.24 -0.25 -0.04 0.00 0.08 0.00 0.00 32.23 32.27 2c3u h LYS 929 CO -0.01 0.75 0.42 1.25 -0.57 0.00 0.00 179.45 181.28 2c3u h LEU 930 N 1.14 1.06 -1.46 2.94 5.85 -0.05 -0.52 115.31 124.26 2c3u h LEU 930 Ca 0.31 -0.11 -0.01 0.00 0.84 0.00 0.00 57.88 58.90 2c3u h LEU 930 Cb -0.11 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 40.63 2c3u h LEU 930 CO -0.06 0.87 0.18 0.11 -0.34 0.00 0.00 178.44 179.20 2c3u h LYS 931 N 1.17 0.55 0.18 1.25 1.57 0.06 -0.77 116.57 120.58 2c3u h LYS 931 Ca 0.29 -0.06 -0.27 0.00 -1.87 0.00 0.00 60.65 58.73 2c3u h LYS 931 Cb 0.08 -0.11 0.02 0.00 0.08 0.00 0.00 32.23 32.30 2c3u h LYS 931 CO -0.04 0.43 -1.27 0.87 -0.57 0.00 0.00 179.45 178.87 2c3u h LYS 932 N 0.55 0.38 0.00 3.15 1.57 -0.99 -3.00 116.57 118.23 2c3u h LYS 932 Ca 0.14 -0.65 -0.03 0.00 -1.87 0.00 0.00 60.65 58.24 2c3u h LYS 932 Cb 0.07 0.24 -0.00 0.00 0.08 0.00 0.00 32.23 32.62 2c3u h LYS 932 CO -0.02 1.31 -0.15 -0.07 -0.57 0.00 0.00 179.45 179.95 2c3u h LEU 933 N -0.13 0.00 -1.74 2.94 3.38 -0.84 -3.06 115.31 115.85 2c3u h LEU 933 Ca -0.24 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.73 2c3u h LEU 933 Cb 1.89 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.64 2c3u h LEU 933 CO 0.18 0.15 0.00 0.18 0.09 0.00 0.00 178.44 179.03 2c3u n LEU 934 N -3.99 2.23 -4.64 1.67 4.77 -0.32 -4.98 117.00 111.75 2c3u n LEU 934 Ca -0.02 -1.18 -0.49 0.00 -0.03 0.00 0.00 56.01 54.29 2c3u n LEU 934 Cb 0.23 -0.05 -0.05 0.00 -2.33 0.00 0.00 43.42 41.23 2c3u n LEU 934 CO 0.33 0.45 1.10 0.00 -1.33 0.00 0.00 177.39 177.94 2c3u n ALA 935 N 0.70 0.36 0.00 -1.18 0.00 -1.13 -0.76 120.51 118.49 2c3u n ALA 935 Ca 0.08 0.46 0.00 0.00 0.00 0.00 0.00 53.44 53.99 2c3u n ALA 935 Cb 0.34 -2.24 0.00 0.00 0.00 0.00 0.00 19.45 17.54 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 3.14 2.92 3.64 0.00 0.00 -1.26 -5.03 105.19 108.59 2c3u n GLY 936 Ca 0.18 -0.24 -0.46 0.00 0.00 0.00 0.00 46.02 45.51 2c3u n GLY 936 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2c3u n GLN 937 N 0.00 1.70 0.00 1.61 1.13 0.06 -4.87 117.38 117.01 2c3u n GLN 937 Ca 0.00 0.61 0.00 0.00 -1.94 0.00 0.00 57.00 55.67 2c3u n GLN 937 Cb 0.00 -2.18 0.00 0.00 0.11 0.00 0.00 30.24 28.17 2c3u n GLN 937 CO 0.00 0.00 0.00 1.63 -1.44 0.00 0.00 177.06 177.25 2c3u n LYS 938 N 1.76 5.41 -3.88 -1.09 4.01 -1.26 -4.71 118.16 118.40 2c3u n LYS 938 Ca 0.12 0.00 -0.29 0.00 -0.51 0.00 0.00 58.31 57.63 2c3u n LYS 938 Cb 0.30 -0.50 -0.04 0.00 -0.51 0.00 0.00 35.03 34.27 2c3u n LYS 938 CO 0.00 0.00 0.00 -0.51 -1.11 0.00 0.00 177.40 175.78 2c3u s ASP 939 N -0.11 6.37 0.31 4.39 -0.00 -1.26 -4.63 116.67 121.74 2c3u s ASP 939 Ca 0.00 0.28 0.00 0.00 -0.00 0.00 0.00 52.55 52.83 2c3u s ASP 939 Cb 0.00 -1.96 0.00 0.00 -0.00 0.00 0.00 42.92 40.96 2c3u s ASP 939 CO 0.00 0.10 0.00 0.61 -0.00 0.00 0.00 175.17 175.88 2c3u n GLY 940 N -0.10 0.57 0.39 0.21 0.00 -1.26 -1.33 105.19 103.67 2c3u n GLY 940 Ca -0.05 -0.83 -0.11 0.00 0.00 0.00 0.00 46.02 45.03 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 -1.88 -1.46 0.99 3.38 -1.98 0.21 115.31 114.57 2c3u h LEU 941 Ca 0.00 0.27 0.21 0.00 0.09 0.00 0.00 57.88 58.46 2c3u h LEU 941 Cb 0.00 0.81 -0.07 0.00 0.09 0.00 0.00 40.66 41.49 2c3u h LEU 941 CO 0.00 -0.27 0.61 -0.07 0.09 0.00 0.00 178.44 178.81 2c3u h LEU 942 N -0.13 0.43 -0.17 1.67 4.07 -1.96 0.20 115.31 119.42 2c3u h LEU 942 Ca 0.12 0.05 -0.01 0.00 0.08 0.00 0.00 57.88 58.11 2c3u h LEU 942 Cb 0.43 -0.03 -0.01 0.00 1.08 0.00 0.00 40.66 42.14 2c3u h LEU 942 CO -0.74 0.16 0.05 1.23 -1.08 0.00 0.00 178.44 178.06 2c3u h GLY 943 N 0.43 0.29 1.01 0.83 0.00 0.70 -0.80 103.07 105.53 2c3u h GLY 943 Ca 0.49 -0.17 -0.02 0.00 0.00 0.00 0.00 47.33 47.63 2c3u h GLY 943 CO -0.20 0.16 0.36 1.46 0.00 0.00 0.00 176.54 178.32 2c3u h GLN 944 N 0.10 1.00 -0.56 4.80 4.20 -0.10 -1.53 115.11 123.02 2c3u h GLN 944 Ca 0.06 -0.13 0.01 0.00 0.06 0.00 0.00 58.65 58.64 2c3u h GLN 944 Cb 0.23 -0.19 -0.03 0.00 0.30 0.00 0.00 27.48 27.80 2c3u h GLN 944 CO -0.00 0.77 0.37 0.82 -0.67 0.00 0.00 178.83 180.11 2c3u h ILE 945 N 0.97 1.14 -0.68 2.54 1.08 -1.02 -2.60 117.51 118.95 2c3u h ILE 945 Ca 0.24 -0.26 0.03 0.00 -0.39 0.00 0.00 64.86 64.48 2c3u h ILE 945 Cb 0.08 0.32 -0.04 0.00 -3.07 0.00 0.00 36.82 34.11 2c3u h ILE 945 CO -0.03 0.14 0.42 0.00 -0.69 0.00 0.00 178.15 177.98 2c3u h ALA 946 N 1.20 0.88 0.00 1.87 0.00 -0.64 -1.98 119.26 120.60 2c3u h ALA 946 Ca 0.20 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.09 2c3u h ALA 946 Cb -0.09 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.49 2c3u h ALA 946 CO -0.04 0.18 0.00 0.00 0.00 0.00 0.00 179.25 179.39 2c3u n ALA 947 N -2.31 1.56 -1.17 0.00 0.00 -0.62 -2.77 120.51 115.19 2c3u n ALA 947 Ca 0.07 -0.03 -0.02 0.00 0.00 0.00 0.00 53.44 53.46 2c3u n ALA 947 Cb 0.09 -1.21 0.25 0.00 0.00 0.00 0.00 19.45 18.57 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 -1.56 2.75 0.29 0.00 2.00 -0.74 -4.69 117.12 115.16 2c3u n MET 948 Ca 0.03 -3.04 0.16 0.00 0.00 0.00 0.00 57.70 54.85 2c3u n MET 948 Cb 0.15 -1.97 0.87 0.00 0.00 0.00 0.00 33.22 32.27 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 1.72 0.00 0.00 7.83 4.64 -1.59 -1.49 113.55 124.66 2c3u h SER 949 Ca 0.20 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.52 2c3u h SER 949 Cb 1.88 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.97 2c3u h SER 949 CO 0.49 0.06 0.00 -0.90 -0.87 0.00 0.00 176.83 175.61 2c3u n ASP 950 N -3.49 0.00 -0.05 4.97 5.68 -1.26 -2.18 116.55 120.21 2c3u n ASP 950 Ca -0.02 -1.23 0.02 0.00 -0.50 0.00 0.00 54.79 53.07 2c3u n ASP 950 Cb 0.18 0.00 -0.02 0.00 -1.14 0.00 0.00 41.12 40.14 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 -0.73 0.52 0.16 -2.12 4.77 -0.56 -4.78 117.00 114.26 2c3u n LEU 951 Ca 0.09 -0.62 -0.15 0.00 -0.03 0.00 0.00 56.01 55.30 2c3u n LEU 951 Cb 0.04 0.00 -0.09 0.00 -2.33 0.00 0.00 43.42 41.04 2c3u n LEU 951 CO 0.07 0.12 0.52 1.88 -1.33 0.00 0.00 177.39 178.64 2c3u h TYR 952 N 0.26 -1.32 -3.57 -1.77 0.99 -1.48 -3.42 116.97 106.66 2c3u h TYR 952 Ca 0.00 0.03 -0.52 0.00 2.00 0.00 0.00 58.73 60.24 2c3u h TYR 952 Cb 0.14 0.54 -0.03 0.00 1.00 0.00 0.00 36.73 38.39 2c3u h TYR 952 CO 0.00 -0.55 0.28 0.95 -0.00 0.00 0.00 178.16 178.84 2c3u s THR 953 N -5.45 4.43 0.11 -2.88 -4.23 -1.26 -4.69 115.64 101.67 2c3u s THR 953 Ca -0.15 1.92 -0.36 0.00 -1.18 0.00 0.00 61.69 61.92 2c3u s THR 953 Cb 0.05 -4.25 -0.16 0.00 1.34 0.00 0.00 72.50 69.48 2c3u s THR 953 CO 0.53 0.40 1.38 1.17 -0.54 0.00 0.00 174.62 177.57 2c3u n LYS 954 N 2.31 1.40 -3.48 3.99 3.00 -1.26 -4.97 118.16 119.15 2c3u n LYS 954 Ca -0.01 0.50 -0.23 0.00 -0.00 0.00 0.00 58.31 58.57 2c3u n LYS 954 Cb 0.49 -2.17 -0.01 0.00 0.00 0.00 0.00 35.03 33.34 2c3u n LYS 954 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.40 177.55 2c3u s LYS 955 N 0.50 3.46 -0.25 1.64 -0.14 -1.26 -4.83 119.74 118.85 2c3u s LYS 955 Ca 0.82 -0.43 0.01 0.00 -1.36 0.00 0.00 55.97 55.00 2c3u s LYS 955 Cb -0.88 -2.70 0.04 0.00 -1.68 0.00 0.00 37.83 32.61 2c3u s LYS 955 CO 0.45 0.18 -0.09 0.45 -0.76 0.00 0.00 175.35 175.58 2c3u s SER 956 N -4.03 4.24 -0.29 2.83 0.15 0.55 -5.01 113.70 112.13 2c3u s SER 956 Ca 0.39 -1.08 -0.17 0.00 0.70 0.00 0.00 55.95 55.79 2c3u s SER 956 Cb -0.09 -1.60 -0.02 0.00 -1.71 0.00 0.00 66.02 62.60 2c3u s SER 956 CO 0.35 -0.15 0.47 -0.69 1.20 0.00 0.00 173.24 174.42 2c3u s VAL 957 N 1.23 5.08 -0.01 4.45 1.01 -1.26 -0.63 120.40 130.26 2c3u s VAL 957 Ca -0.03 0.61 0.08 0.00 0.00 0.00 0.00 61.98 62.64 2c3u s VAL 957 Cb -0.18 -3.83 -0.02 0.00 0.00 0.00 0.00 36.38 32.35 2c3u s VAL 957 CO -0.06 0.01 -0.25 0.26 0.00 0.00 0.00 175.10 175.07 2c3u s TRP 958 N 2.26 2.38 -0.21 5.22 0.52 0.32 -1.26 118.94 128.17 2c3u s TRP 958 Ca 0.18 -0.40 -0.00 0.00 0.02 0.00 0.00 56.10 55.90 2c3u s TRP 958 Cb -0.16 -1.50 0.02 0.00 -1.15 0.00 0.00 33.47 30.69 2c3u s TRP 958 CO 0.11 0.02 -0.13 0.42 0.02 0.00 0.00 176.95 177.39 2c3u s ILE 959 N -0.66 2.52 0.03 2.03 1.01 0.67 -0.08 121.20 126.71 2c3u s ILE 959 Ca 0.11 -0.91 0.01 0.00 0.00 0.00 0.00 60.65 59.85 2c3u s ILE 959 Cb -0.10 -2.16 -0.04 0.00 0.01 0.00 0.00 42.46 40.17 2c3u s ILE 959 CO -0.00 0.40 0.09 -0.36 0.00 0.00 0.00 174.94 175.06 2c3u s PHE 960 N 1.32 3.26 0.00 3.97 2.99 -0.10 -0.98 117.98 128.45 2c3u s PHE 960 Ca 0.03 0.16 0.00 0.00 0.00 0.00 0.00 56.93 57.12 2c3u s PHE 960 Cb -0.15 -1.70 0.00 0.00 0.00 0.00 0.00 43.02 41.18 2c3u s PHE 960 CO -0.09 0.54 0.00 0.41 -0.00 0.00 0.00 175.22 176.09 2c3u n GLY 961 N 0.88 0.76 1.60 4.36 0.00 -1.13 -0.78 105.19 110.89 2c3u n GLY 961 Ca -0.11 -0.50 -0.11 0.00 0.00 0.00 0.00 46.02 45.30 2c3u n GLY 961 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2c3u n GLY 962 N -0.00 -0.57 0.20 -0.02 0.00 -1.26 -1.90 105.19 101.64 2c3u n GLY 962 Ca 0.00 -1.79 -0.05 0.00 0.00 0.00 0.00 46.02 44.17 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 -0.55 0.41 -0.31 1.61 2.03 -1.79 -2.04 116.42 115.77 2c3u h ASP 963 Ca -0.16 -0.19 0.02 0.00 -0.73 0.00 0.00 57.03 55.96 2c3u h ASP 963 Cb 0.50 -0.12 -0.02 0.00 -0.83 0.00 0.00 39.33 38.86 2c3u h ASP 963 CO 0.13 0.82 0.17 1.23 -1.03 0.00 0.00 179.24 180.56 2c3u h GLY 964 N 1.21 0.42 0.92 7.15 0.00 -1.90 0.24 103.07 111.10 2c3u h GLY 964 Ca 0.02 -0.12 -0.02 0.00 0.00 0.00 0.00 47.33 47.20 2c3u h GLY 964 CO 0.08 0.11 -0.18 -0.25 0.00 0.00 0.00 176.54 176.29 2c3u h TRP 965 N 0.35 -0.48 -0.47 5.60 7.01 -1.87 -1.38 115.95 124.71 2c3u h TRP 965 Ca 0.13 -0.01 -0.11 0.00 2.11 0.00 0.00 58.89 61.00 2c3u h TRP 965 Cb 0.02 0.16 -0.01 0.00 -2.10 0.00 0.00 29.16 27.23 2c3u h TRP 965 CO -0.09 -0.24 -0.15 0.00 -2.79 0.00 0.00 178.44 175.17 2c3u h ALA 966 N -0.02 0.65 0.00 2.65 0.00 -1.18 0.18 119.26 121.55 2c3u h ALA 966 Ca -0.05 -0.36 -0.12 0.00 0.00 0.00 0.00 54.91 54.38 2c3u h ALA 966 Cb 0.45 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.05 2c3u h ALA 966 CO 0.09 0.58 -1.11 1.88 0.00 0.00 0.00 179.25 180.69 2c3u h TYR 967 N 0.77 0.00 0.00 0.00 -1.99 -0.64 -3.30 116.97 111.82 2c3u h TYR 967 Ca 0.12 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.85 2c3u h TYR 967 Cb 0.71 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.44 2c3u h TYR 967 CO 0.05 0.44 0.00 -0.25 -0.00 0.00 0.00 178.16 178.41 2c3u n ASP 968 N -2.93 0.00 -0.22 3.88 10.43 -0.54 -4.74 116.55 122.44 2c3u n ASP 968 Ca -0.05 0.00 0.03 0.00 2.57 0.00 0.00 54.79 57.34 2c3u n ASP 968 Cb 0.76 0.00 0.14 0.00 1.84 0.00 0.00 41.12 43.86 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 0.63 -0.37 0.53 2.10 -1.31 -2.36 117.51 116.72 2c3u h ILE 969 Ca 0.00 -0.11 0.00 0.00 1.08 0.00 0.00 64.86 65.83 2c3u h ILE 969 Cb 0.00 0.28 0.00 0.00 -1.09 0.00 0.00 36.82 36.01 2c3u h ILE 969 CO 0.00 0.06 0.00 0.61 -1.08 0.00 0.00 178.15 177.74 2c3u n GLY 970 N -1.33 1.28 0.15 8.18 0.00 0.63 -4.55 105.19 109.56 2c3u n GLY 970 Ca 0.11 -0.61 -0.07 0.00 0.00 0.00 0.00 46.02 45.45 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 3.49 0.21 -0.86 1.61 3.20 -1.22 0.80 116.97 124.20 2c3u h TYR 971 Ca 0.00 0.02 0.08 0.00 3.14 0.00 0.00 58.73 61.97 2c3u h TYR 971 Cb 0.78 -0.05 -0.06 0.00 1.54 0.00 0.00 36.73 38.94 2c3u h TYR 971 CO 0.24 0.09 0.56 0.78 -1.64 0.00 0.00 178.16 178.19 2c3u h GLY 972 N 0.26 1.22 0.89 1.82 0.00 -1.80 0.39 103.07 105.85 2c3u h GLY 972 Ca 0.15 -0.37 -0.15 0.00 0.00 0.00 0.00 47.33 46.96 2c3u h GLY 972 CO -0.15 0.24 -0.54 -1.33 0.00 0.00 0.00 176.54 174.75 2c3u h GLY 973 N 0.90 0.58 0.99 4.60 0.00 -1.74 -2.39 103.07 106.00 2c3u h GLY 973 Ca 0.38 -0.84 0.00 0.00 0.00 0.00 0.00 47.33 46.87 2c3u h GLY 973 CO -0.15 0.75 0.19 -2.00 0.00 0.00 0.00 176.54 175.33 2c3u h LEU 974 N 0.12 0.37 -0.23 3.11 5.85 -0.06 -0.18 115.31 124.28 2c3u h LEU 974 Ca -0.04 -0.04 0.04 0.00 0.84 0.00 0.00 57.88 58.68 2c3u h LEU 974 Cb 1.19 -0.09 -0.04 0.00 0.37 0.00 0.00 40.66 42.09 2c3u h LEU 974 CO 0.11 0.29 0.00 -0.78 -0.34 0.00 0.00 178.44 177.73 2c3u h ASP 975 N 0.41 -0.09 -0.73 1.25 -0.00 -0.31 -0.50 116.42 116.45 2c3u h ASP 975 Ca 0.11 0.05 -0.03 0.00 -0.00 0.00 0.00 57.03 57.16 2c3u h ASP 975 Cb -0.01 0.09 -0.03 0.00 -0.00 0.00 0.00 39.33 39.38 2c3u h ASP 975 CO -0.02 -0.02 0.32 -0.74 -0.00 0.00 0.00 179.24 178.78 2c3u h HIS 976 N 0.07 1.08 -0.30 0.28 2.76 -1.03 -1.55 115.15 116.46 2c3u h HIS 976 Ca 0.11 -0.07 -0.13 0.00 -2.20 0.00 0.00 60.37 58.08 2c3u h HIS 976 Cb 0.14 -0.33 -0.01 0.00 1.55 0.00 0.00 27.41 28.76 2c3u h HIS 976 CO -0.19 0.82 -0.34 0.28 -1.30 0.00 0.00 177.93 177.20 2c3u h VAL 977 N 1.04 1.29 -0.19 5.26 2.07 -0.78 -2.28 116.25 122.65 2c3u h VAL 977 Ca 0.25 -1.48 -0.11 0.00 0.82 0.00 0.00 66.70 66.17 2c3u h VAL 977 Cb 0.17 1.42 -0.01 0.00 -1.52 0.00 0.00 31.29 31.34 2c3u h VAL 977 CO -0.03 0.48 -0.36 -0.07 0.02 0.00 0.00 177.57 177.61 2c3u h LEU 978 N 0.56 0.43 -0.43 2.57 3.38 -0.86 -2.55 115.31 118.41 2c3u h LEU 978 Ca 0.06 -0.17 0.00 0.00 0.09 0.00 0.00 57.88 57.86 2c3u h LEU 978 Cb 0.85 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.48 2c3u h LEU 978 CO 0.07 0.76 0.00 0.00 0.09 0.00 0.00 178.44 179.36 2c3u n ALA 979 N -2.49 1.90 0.24 1.53 0.00 -0.60 -3.20 120.51 117.88 2c3u n ALA 979 Ca -0.01 0.04 0.09 0.00 0.00 0.00 0.00 53.44 53.56 2c3u n ALA 979 Cb 0.47 -1.42 0.61 0.00 0.00 0.00 0.00 19.45 19.11 2c3u n ALA 979 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 2c3u h SER 980 N 0.00 0.00 0.00 0.00 4.64 -0.97 -3.46 113.55 113.76 2c3u h SER 980 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2c3u h SER 980 Cb 0.50 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.59 2c3u h SER 980 CO 0.00 0.18 0.00 0.61 -0.87 0.00 0.00 176.83 176.75 2c3u n GLY 981 N -0.67 0.88 3.88 -0.77 0.00 -1.20 -5.04 105.19 102.28 2c3u n GLY 981 Ca -0.02 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.70 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 -0.19 3.21 -1.05 1.61 2.02 -1.26 -4.19 118.70 118.85 2c3u s GLU 982 Ca 0.00 0.56 -0.22 0.00 0.02 0.00 0.00 54.97 55.32 2c3u s GLU 982 Cb 0.00 -2.07 0.05 0.00 0.10 0.00 0.00 34.13 32.21 2c3u s GLU 982 CO 0.00 -0.79 1.51 0.34 0.02 0.00 0.00 175.26 176.34 2c3u s ASP 983 N -4.27 6.47 0.04 -0.19 3.68 -1.26 -1.52 116.67 119.62 2c3u s ASP 983 Ca 0.56 -1.53 -0.01 0.00 2.13 0.00 0.00 52.55 53.69 2c3u s ASP 983 Cb -0.11 -2.57 -0.03 0.00 -1.45 0.00 0.00 42.92 38.76 2c3u s ASP 983 CO 0.52 -1.53 -0.01 0.68 0.13 0.00 0.00 175.17 174.96 2c3u s VAL 984 N 5.15 0.17 -0.11 1.11 -7.23 -1.24 -4.69 120.40 113.55 2c3u s VAL 984 Ca 0.48 -1.37 0.03 0.00 -1.81 0.00 0.00 61.98 59.32 2c3u s VAL 984 Cb 0.00 -0.97 0.01 0.00 0.56 0.00 0.00 36.38 35.98 2c3u s VAL 984 CO -0.07 -0.75 -0.21 0.20 -0.31 0.00 0.00 175.10 173.95 2c3u s ASN 985 N -2.27 2.89 -0.11 4.85 0.01 -0.39 -1.72 114.94 118.20 2c3u s ASN 985 Ca -0.03 -0.53 0.02 0.00 -0.71 0.00 0.00 52.86 51.60 2c3u s ASN 985 Cb 0.00 -1.33 -0.01 0.00 0.41 0.00 0.00 41.25 40.33 2c3u s ASN 985 CO -0.06 0.10 -0.18 0.68 -1.51 0.00 0.00 177.10 176.13 2c3u s VAL 986 N 0.62 2.60 -0.24 1.60 -7.23 0.55 -0.24 120.40 118.06 2c3u s VAL 986 Ca -0.13 -0.83 -0.00 0.00 -1.81 0.00 0.00 61.98 59.21 2c3u s VAL 986 Cb -0.17 -2.05 0.03 0.00 0.56 0.00 0.00 36.38 34.76 2c3u s VAL 986 CO 0.03 0.54 -0.09 0.12 -0.31 0.00 0.00 175.10 175.40 2c3u s PHE 987 N 0.30 3.06 -0.25 2.82 5.36 -0.15 -0.61 117.98 128.52 2c3u s PHE 987 Ca -0.14 -1.71 -0.09 0.00 -0.96 0.00 0.00 56.93 54.03 2c3u s PHE 987 Cb -0.17 -2.02 -0.04 0.00 -0.34 0.00 0.00 43.02 40.46 2c3u s PHE 987 CO 0.07 -0.77 0.12 0.08 -1.46 0.00 0.00 175.22 173.26 2c3u s VAL 988 N 1.28 4.79 -0.47 3.12 1.01 0.11 -2.85 120.40 127.40 2c3u s VAL 988 Ca -0.01 -0.01 -0.19 0.00 0.00 0.00 0.00 61.98 61.77 2c3u s VAL 988 Cb -0.17 -3.25 0.04 0.00 0.00 0.00 0.00 36.38 33.00 2c3u s VAL 988 CO -0.06 0.32 0.58 -0.04 0.00 0.00 0.00 175.10 175.90 2c3u s MET 989 N 1.48 3.15 -0.50 2.72 -1.94 -0.80 -0.86 119.30 122.56 2c3u s MET 989 Ca 0.06 -0.74 -0.20 0.00 -1.71 0.00 0.00 55.69 53.10 2c3u s MET 989 Cb -0.15 -4.03 0.05 0.00 2.01 0.00 0.00 34.83 32.71 2c3u s MET 989 CO 0.06 -1.07 0.67 0.34 -0.01 0.00 0.00 175.02 175.00 2c3u s ASP 990 N 2.30 6.26 0.00 3.03 -1.08 -0.47 -2.60 116.67 124.11 2c3u s ASP 990 Ca 0.16 -0.72 0.24 0.00 -0.52 0.00 0.00 52.55 51.71 2c3u s ASP 990 Cb -0.17 -2.31 0.20 0.00 -1.46 0.00 0.00 42.92 39.17 2c3u s ASP 990 CO 0.14 -0.91 1.26 0.35 0.52 0.00 0.00 175.17 176.54 2c3u n THR 991 N 5.74 0.03 -2.80 1.71 -2.24 -1.26 -1.40 114.28 114.06 2c3u n THR 991 Ca -0.04 -0.51 -0.22 0.00 -2.27 0.00 0.00 64.05 61.00 2c3u n THR 991 Cb 0.46 1.47 0.02 0.00 -2.10 0.00 0.00 70.33 70.18 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 1.35 -3.72 -3.61 -0.78 1.02 -1.26 -4.91 120.64 108.73 2c3u n GLU 992 Ca 0.14 0.95 -0.04 0.00 -0.02 0.00 0.00 57.16 58.19 2c3u n GLU 992 Cb 0.60 -5.74 -0.02 0.00 -0.02 0.00 0.00 31.44 26.26 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 -3.13 0.00 -0.76 2.62 0.11 -1.26 -3.82 120.40 114.16 2c3u s VAL 993 Ca 0.19 -0.00 -0.25 0.00 -2.93 0.00 0.00 61.98 59.00 2c3u s VAL 993 Cb -0.09 -1.00 0.05 0.00 -1.53 0.00 0.00 36.38 33.81 2c3u s VAL 993 CO 0.24 0.00 1.20 -0.31 -3.33 0.00 0.00 175.10 172.90 2c3u s TYR 994 N -2.29 2.47 -0.01 1.54 2.02 0.42 -4.58 117.35 116.93 2c3u s TYR 994 Ca 0.10 -0.37 -0.05 0.00 -0.37 0.00 0.00 57.07 56.37 2c3u s TYR 994 Cb -0.01 -4.52 -0.03 0.00 -0.40 0.00 0.00 41.96 37.00 2c3u s TYR 994 CO -0.04 -1.90 0.52 0.77 -1.57 0.00 0.00 175.55 173.33 2c3u h SER 995 N 9.80 -0.17 -0.89 2.29 0.02 -1.95 0.61 113.55 123.27 2c3u h SER 995 Ca -0.20 0.01 0.24 0.00 -0.84 0.00 0.00 61.79 61.00 2c3u h SER 995 Cb 1.05 0.04 -0.14 0.00 0.14 0.00 0.00 62.40 63.49 2c3u h SER 995 CO 1.26 -0.03 0.28 -1.13 -1.14 0.00 0.00 176.83 176.08 2c3u h ASN 996 N -0.38 0.08 0.37 3.07 -1.24 -1.93 -0.54 115.58 115.01 2c3u h ASN 996 Ca -0.02 0.19 0.00 0.00 0.71 0.00 0.00 56.30 57.18 2c3u h ASN 996 Cb 0.15 0.24 0.00 0.00 0.73 0.00 0.00 38.32 39.44 2c3u h ASN 996 CO 0.03 -0.14 0.00 0.35 -1.29 0.00 0.00 177.43 176.39 2c3u n THR 997 N -5.19 0.07 0.00 -3.57 -2.24 -1.26 -4.87 114.28 97.22 2c3u n THR 997 Ca 0.22 0.02 0.00 0.00 -2.27 0.00 0.00 64.05 62.02 2c3u n THR 997 Cb 0.70 -0.56 0.00 0.00 -2.10 0.00 0.00 70.33 68.37 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 0.99 1.27 1.67 3.38 0.00 -0.22 -4.89 105.19 107.38 2c3u n GLY 998 Ca 0.16 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.17 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 0.79 3.85 -0.02 0.00 0.19 -4.83 105.19 105.17 2c3u n GLY 999 Ca 0.00 -0.69 -0.32 0.00 0.00 0.00 0.00 46.02 45.01 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 -4.83 3.97 0.54 1.61 1.11 -1.10 -1.66 119.66 119.29 2c3u s GLN 1000Ca 0.02 0.69 -0.21 0.00 0.01 0.00 0.00 55.36 55.87 2c3u s GLN 1000Cb -0.01 -2.37 -0.05 0.00 -1.01 0.00 0.00 33.01 29.57 2c3u s GLN 1000CO 0.02 0.06 1.24 0.45 0.01 0.00 0.00 175.29 177.06 2c3u s SER 1001N -2.55 5.51 0.27 5.90 0.15 -0.50 -0.43 113.70 122.04 2c3u s SER 1001Ca 0.55 2.47 0.01 0.00 0.70 0.00 0.00 55.95 59.68 2c3u s SER 1001Cb -0.10 -2.61 -0.05 0.00 -1.71 0.00 0.00 66.02 61.55 2c3u s SER 1001CO 0.21 -1.38 0.11 -0.94 1.20 0.00 0.00 173.24 172.44 2c3u s SER 1002N -1.34 1.24 0.00 5.45 1.04 -1.26 -4.72 113.70 114.10 2c3u s SER 1002Ca 0.72 -1.41 0.13 0.00 0.48 0.00 0.00 55.95 55.86 2c3u s SER 1002Cb -0.33 0.20 0.63 0.00 0.10 0.00 0.00 66.02 66.63 2c3u s SER 1002CO 0.38 -0.76 1.32 0.29 0.98 0.00 0.00 173.24 175.45 2c3u n LYS 1003N -0.48 0.16 0.01 4.02 5.02 -1.26 -1.07 118.16 124.56 2c3u n LYS 1003Ca 0.00 0.18 0.12 0.00 -2.02 0.00 0.00 58.31 56.59 2c3u n LYS 1003Cb 0.66 -1.50 0.27 0.00 -0.02 0.00 0.00 35.03 34.44 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 -1.30 3.31 -2.09 7.82 0.00 -1.26 -0.66 120.51 126.32 2c3u n ALA 1004Ca 0.06 -0.31 -0.42 0.00 0.00 0.00 0.00 53.44 52.77 2c3u n ALA 1004Cb 0.10 -1.16 -0.03 0.00 0.00 0.00 0.00 19.45 18.36 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 -3.03 3.21 0.70 0.00 2.01 -0.23 -4.63 115.64 113.66 2c3u s THR 1005Ca 0.10 0.92 -0.11 0.00 0.31 0.00 0.00 61.69 62.91 2c3u s THR 1005Cb 0.17 -3.59 0.01 0.00 0.01 0.00 0.00 72.50 69.10 2c3u s THR 1005CO 0.69 0.10 1.09 -2.16 -0.69 0.00 0.00 174.62 173.65 2c3u s PRO 1006N 0.58 2.93 0.19 4.92 0.04 -1.26 -3.81 135.00 138.59 2c3u s PRO 1006Ca 0.62 0.50 -0.33 0.00 0.04 0.00 0.00 61.00 61.83 2c3u s PRO 1006Cb -0.37 -2.03 -0.14 0.00 0.04 0.00 0.00 34.50 32.00 2c3u s PRO 1006CO 0.34 -0.99 1.44 2.41 0.04 0.00 0.00 177.00 180.24 2c3u n THR 1007N -2.99 0.47 -0.71 1.26 -1.04 -1.26 -2.41 114.28 107.61 2c3u n THR 1007Ca 0.07 -0.12 0.00 0.00 -2.04 0.00 0.00 64.05 61.96 2c3u n THR 1007Cb 0.57 -1.37 0.00 0.00 -1.82 0.00 0.00 70.33 67.71 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 2.67 1.38 3.74 3.41 0.00 -0.01 -4.86 105.19 111.51 2c3u n GLY 1008Ca 0.15 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.76 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 -3.51 3.30 -0.08 4.61 0.00 -1.01 -4.50 121.76 120.57 2c3u s ALA 1009Ca 0.00 0.62 -0.21 0.00 0.00 0.00 0.00 51.96 52.37 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 0.60 0.08 0.00 0.00 0.00 175.76 176.49 2c3u s VAL 1010N -0.52 5.08 0.19 0.00 1.01 0.62 -1.37 120.40 125.41 2c3u s VAL 1010Ca 0.45 1.23 -0.22 0.00 0.00 0.00 0.00 61.98 63.43 2c3u s VAL 1010Cb -0.25 -3.94 0.06 0.00 0.00 0.00 0.00 36.38 32.25 2c3u s VAL 1010CO 0.31 0.31 0.63 0.00 0.00 0.00 0.00 175.10 176.35 2c3u s ALA 1011N 0.57 -1.48 0.23 5.51 0.00 -0.81 -4.82 121.76 120.96 2c3u s ALA 1011Ca 0.32 0.25 -0.31 0.00 0.00 0.00 0.00 51.96 52.22 2c3u s ALA 1011Cb -0.17 0.88 -0.13 0.00 0.00 0.00 0.00 23.12 23.70 2c3u s ALA 1011CO 0.15 -0.84 1.44 1.63 0.00 0.00 0.00 175.76 178.14 2c3u n LYS 1012N -0.40 2.09 -1.05 0.00 4.76 -0.67 0.34 118.16 123.23 2c3u n LYS 1012Ca -0.13 0.74 -0.02 0.00 -2.87 0.00 0.00 58.31 56.03 2c3u n LYS 1012Cb 0.63 -2.42 -0.01 0.00 -1.84 0.00 0.00 35.03 31.39 2c3u n LYS 1012CO 0.00 0.00 0.00 1.19 -1.37 0.00 0.00 177.40 177.22 2c3u n PHE 1013N 2.11 0.00 -2.70 2.13 3.01 -1.26 -1.41 117.46 119.34 2c3u n PHE 1013Ca 0.12 0.00 -0.05 0.00 1.01 0.00 0.00 57.45 58.53 2c3u n PHE 1013Cb 0.31 -0.73 0.10 0.00 -0.01 0.00 0.00 39.48 39.16 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 1.03 2.26 1.10 4.37 0.00 0.15 -4.90 120.51 124.53 2c3u n ALA 1014Ca -0.02 -1.66 0.09 0.00 0.00 0.00 0.00 53.44 51.85 2c3u n ALA 1014Cb 0.13 -0.92 0.52 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 -0.81 2.15 -1.25 0.00 0.00 -1.03 -1.93 120.51 117.64 2c3u n ALA 1015Ca -0.05 -0.11 0.03 0.00 0.00 0.00 0.00 53.44 53.32 2c3u n ALA 1015Cb 0.85 -1.29 0.05 0.00 0.00 0.00 0.00 19.45 19.06 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 -1.01 1.94 0.00 0.00 0.00 -1.26 -4.96 120.51 115.22 2c3u n ALA 1016Ca 0.13 -1.48 0.00 0.00 0.00 0.00 0.00 53.44 52.09 2c3u n ALA 1016Cb 0.06 -0.31 0.00 0.00 0.00 0.00 0.00 19.45 19.20 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 -0.56 0.41 3.74 0.00 0.00 -0.82 -4.96 105.19 102.99 2c3u n GLY 1017Ca 0.05 -1.32 -0.42 0.00 0.00 0.00 0.00 46.02 44.34 2c3u n GLY 1017CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2c3u s LYS 1018N -4.86 4.16 -0.11 1.61 2.20 -0.47 -4.68 119.74 117.59 2c3u s LYS 1018Ca 0.00 2.50 0.18 0.00 -0.36 0.00 0.00 55.97 58.29 2c3u s LYS 1018Cb 0.00 -3.07 0.68 0.00 -1.51 0.00 0.00 37.83 33.93 2c3u s LYS 1018CO 0.00 -0.62 1.59 0.54 -0.36 0.00 0.00 175.35 176.50 2c3u n ARG 1019N 2.86 3.64 -4.19 4.03 5.12 -1.26 -0.83 116.66 126.03 2c3u n ARG 1019Ca 0.10 -2.83 -0.18 0.00 -1.93 0.00 0.00 57.85 53.01 2c3u n ARG 1019Cb 0.38 -1.85 -0.12 0.00 -1.16 0.00 0.00 32.46 29.70 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 -1.88 1.05 0.81 0.55 -4.23 -1.26 -5.05 115.64 105.63 2c3u s THR 1020Ca 0.48 -1.21 -0.11 0.00 -1.18 0.00 0.00 61.69 59.67 2c3u s THR 1020Cb 0.32 -1.00 0.10 0.00 1.34 0.00 0.00 72.50 73.25 2c3u s THR 1020CO 0.23 -0.19 1.16 -0.83 -0.54 0.00 0.00 174.62 174.44 2c3u s GLY 1021N -1.59 1.65 0.25 3.99 0.00 -1.26 -3.98 107.32 106.38 2c3u s GLY 1021Ca -0.02 -0.84 -0.31 0.00 0.00 0.00 0.00 44.72 43.55 2c3u s GLY 1021CO 0.02 -0.32 1.65 1.17 0.00 0.00 0.00 173.10 175.62 2c3u n LYS 1022N -3.28 2.71 -2.10 2.90 4.81 -1.25 -4.83 118.16 117.12 2c3u n LYS 1022Ca 0.09 0.97 -0.41 0.00 -0.87 0.00 0.00 58.31 58.09 2c3u n LYS 1022Cb 0.61 -2.78 -0.02 0.00 0.02 0.00 0.00 35.03 32.85 2c3u n LYS 1022CO 0.00 0.00 0.00 0.21 1.17 0.00 0.00 177.40 178.78 2c3u s LYS 1023N 0.24 4.33 -1.19 1.64 2.20 0.16 -4.92 119.74 122.21 2c3u s LYS 1023Ca 0.69 2.21 -0.10 0.00 -0.36 0.00 0.00 55.97 58.41 2c3u s LYS 1023Cb -0.51 -3.10 0.21 0.00 -1.51 0.00 0.00 37.83 32.92 2c3u s LYS 1023CO 0.41 -0.27 1.50 -3.47 -0.36 0.00 0.00 175.35 173.16 2c3u n ASP 1024N 1.60 5.42 -0.25 1.43 -0.08 -1.26 -4.83 116.55 118.58 2c3u n ASP 1024Ca 0.03 -3.09 0.01 0.00 -1.51 0.00 0.00 54.79 50.24 2c3u n ASP 1024Cb 0.41 -1.47 0.14 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 8.01 0.49 0.30 -2.67 5.85 -1.97 -2.07 115.31 123.25 2c3u h LEU 1025Ca 0.29 0.06 -0.00 0.00 0.84 0.00 0.00 57.88 59.07 2c3u h LEU 1025Cb 0.77 -0.03 -0.02 0.00 0.37 0.00 0.00 40.66 41.76 2c3u h LEU 1025CO 1.31 0.28 -0.26 0.00 -0.34 0.00 0.00 178.44 179.44 2c3u h ALA 1026N 1.42 -0.57 0.00 1.25 0.00 -1.99 -1.28 119.26 118.09 2c3u h ALA 1026Ca 0.35 -0.09 -0.04 0.00 0.00 0.00 0.00 54.91 55.13 2c3u h ALA 1026Cb 0.35 0.36 -0.01 0.00 0.00 0.00 0.00 17.79 18.49 2c3u h ALA 1026CO -0.26 -0.85 -0.19 0.00 0.00 0.00 0.00 179.25 177.96 2c3u h ARG 1027N -0.58 0.00 -0.16 0.00 3.08 -1.95 -1.24 114.38 113.53 2c3u h ARG 1027Ca -0.02 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.01 2c3u h ARG 1027Cb 0.51 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.56 2c3u h ARG 1027CO -0.03 0.19 0.01 0.52 -1.07 0.00 0.00 179.97 179.59 2c3u h MET 1028N 0.00 0.28 0.00 0.04 2.86 -0.79 -2.94 114.93 114.38 2c3u h MET 1028Ca -0.00 -0.09 0.00 0.00 -2.06 0.00 0.00 59.70 57.55 2c3u h MET 1028Cb 0.33 -0.03 0.00 0.00 0.06 0.00 0.00 31.60 31.97 2c3u h MET 1028CO 0.02 0.49 0.00 1.33 1.06 0.00 0.00 176.91 179.81 2c3u n VAL 1029N -4.75 0.45 0.46 -2.22 0.24 -0.54 -2.68 118.33 109.29 2c3u n VAL 1029Ca -0.05 -0.18 0.11 0.00 -2.04 0.00 0.00 64.34 62.18 2c3u n VAL 1029Cb 0.21 -0.59 0.45 0.00 -1.47 0.00 0.00 33.84 32.44 2c3u n VAL 1029CO 0.00 0.00 0.00 0.23 -2.14 0.00 0.00 176.83 174.92 2c3u n MET 1030N -2.05 0.16 0.27 7.34 2.00 -0.50 -2.78 117.12 121.57 2c3u n MET 1030Ca 0.06 0.35 0.17 0.00 0.00 0.00 0.00 57.70 58.28 2c3u n MET 1030Cb 0.39 -1.79 0.65 0.00 0.00 0.00 0.00 33.22 32.47 2c3u n MET 1030CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 175.97 177.76 2c3u h THR 1031N 0.00 0.00 -0.42 2.03 1.35 -1.47 -3.07 112.91 111.33 2c3u h THR 1031Ca 0.00 -0.54 -0.09 0.00 -0.55 0.00 0.00 66.41 65.23 2c3u h THR 1031Cb 0.40 1.53 -0.01 0.00 -1.73 0.00 0.00 68.15 68.33 2c3u h THR 1031CO 0.00 0.00 -0.09 1.88 -0.25 0.00 0.00 175.52 177.06 2c3u h TYR 1032N 0.00 0.89 0.00 4.73 0.05 -1.74 -3.47 116.97 117.43 2c3u h TYR 1032Ca 0.00 -0.19 0.00 0.00 0.05 0.00 0.00 58.73 58.59 2c3u h TYR 1032Cb 0.54 -0.22 0.00 0.00 1.01 0.00 0.00 36.73 38.06 2c3u h TYR 1032CO 0.00 0.91 0.00 0.41 -1.05 0.00 0.00 178.16 178.43 2c3u n GLY 1033N -0.22 2.95 1.11 3.88 0.00 -1.16 -4.82 105.19 106.93 2c3u n GLY 1033Ca -0.01 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.09 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 -0.47 1.10 -4.73 1.61 0.18 -1.26 -4.57 117.16 109.03 2c3u n TYR 1034Ca 0.00 -0.72 -0.33 0.00 1.88 0.00 0.00 57.90 58.73 2c3u n TYR 1034Cb 0.00 -0.27 -0.14 0.00 -0.38 0.00 0.00 39.34 38.56 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 -2.23 3.19 -0.05 -3.48 1.01 -1.26 -4.50 120.40 113.08 2c3u s VAL 1035Ca 0.42 -0.62 -0.30 0.00 0.00 0.00 0.00 61.98 61.48 2c3u s VAL 1035Cb 0.30 -2.34 -0.03 0.00 0.00 0.00 0.00 36.38 34.32 2c3u s VAL 1035CO 0.15 0.53 1.07 -0.47 0.00 0.00 0.00 175.10 176.37 2c3u s TYR 1036N 0.21 3.46 -0.03 5.22 5.04 0.54 -4.68 117.35 127.11 2c3u s TYR 1036Ca -0.07 1.50 0.04 0.00 -2.44 0.00 0.00 57.07 56.09 2c3u s TYR 1036Cb -0.15 -3.25 -0.00 0.00 0.35 0.00 0.00 41.96 38.91 2c3u s TYR 1036CO 0.05 -0.54 -0.14 0.08 -1.34 0.00 0.00 175.55 173.66 2c3u s VAL 1037N 1.74 1.17 0.06 3.14 1.01 -0.79 0.10 120.40 126.83 2c3u s VAL 1037Ca 0.52 -0.58 -0.16 0.00 0.00 0.00 0.00 61.98 61.75 2c3u s VAL 1037Cb -0.21 -1.01 0.03 0.00 0.00 0.00 0.00 36.38 35.19 2c3u s VAL 1037CO 0.22 0.34 0.38 0.00 0.00 0.00 0.00 175.10 176.04 2c3u s ALA 1038N 0.02 -0.88 0.06 5.51 0.00 -0.38 0.36 121.76 126.45 2c3u s ALA 1038Ca -0.02 0.12 0.08 0.00 0.00 0.00 0.00 51.96 52.13 2c3u s ALA 1038Cb -0.09 0.43 -0.03 0.00 0.00 0.00 0.00 23.12 23.42 2c3u s ALA 1038CO 0.01 -0.49 -0.21 0.95 0.00 0.00 0.00 175.76 176.02 2c3u s THR 1039N -2.87 1.66 0.22 0.00 -4.23 -0.93 -1.48 115.64 108.01 2c3u s THR 1039Ca -0.03 -1.31 -0.00 0.00 -1.18 0.00 0.00 61.69 59.17 2c3u s THR 1039Cb 0.00 -1.47 -0.04 0.00 1.34 0.00 0.00 72.50 72.33 2c3u s THR 1039CO -0.05 0.11 0.12 0.68 -0.54 0.00 0.00 174.62 174.94 2c3u s VAL 1040N -0.93 0.14 -0.29 2.29 -7.23 -0.10 -3.93 120.40 110.36 2c3u s VAL 1040Ca 0.07 -2.00 0.01 0.00 -1.81 0.00 0.00 61.98 58.25 2c3u s VAL 1040Cb -0.09 -2.54 0.19 0.00 0.56 0.00 0.00 36.38 34.51 2c3u s VAL 1040CO 0.03 0.00 0.73 -0.55 -0.31 0.00 0.00 175.10 175.00 2c3u s SER 1041N -3.20 -1.25 0.23 4.85 0.15 -1.26 -2.35 113.70 110.86 2c3u s SER 1041Ca 0.39 0.13 -0.09 0.00 0.70 0.00 0.00 55.95 57.07 2c3u s SER 1041Cb 0.07 1.79 0.36 0.00 -1.71 0.00 0.00 66.02 66.53 2c3u s SER 1041CO 0.12 -0.23 1.63 -0.03 1.20 0.00 0.00 173.24 175.94 2c3u h MET 1042N 7.73 0.07 0.00 5.44 4.05 -1.86 -1.55 114.93 128.81 2c3u h MET 1042Ca -0.03 -0.00 -0.01 0.00 -0.28 0.00 0.00 59.70 59.38 2c3u h MET 1042Cb 1.19 -0.01 -0.00 0.00 -0.80 0.00 0.00 31.60 31.97 2c3u h MET 1042CO 0.07 0.04 -0.03 0.78 0.23 0.00 0.00 176.91 178.01 2c3u h GLY 1043N 0.07 0.00 0.79 1.39 0.00 -1.85 -2.75 103.07 100.72 2c3u h GLY 1043Ca 0.37 0.00 -0.30 0.00 0.00 0.00 0.00 47.33 47.41 2c3u h GLY 1043CO -0.66 0.00 -1.44 -1.82 0.00 0.00 0.00 176.54 172.61 2c3u h TYR 1044N 0.00 0.62 -1.41 5.60 3.20 -1.47 -3.37 116.97 120.15 2c3u h TYR 1044Ca -0.00 -0.46 0.04 0.00 3.14 0.00 0.00 58.73 61.45 2c3u h TYR 1044Cb 0.07 -0.02 -0.23 0.00 1.54 0.00 0.00 36.73 38.09 2c3u h TYR 1044CO 0.00 1.56 -0.29 0.45 -1.64 0.00 0.00 178.16 178.25 2c3u s SER 1045N -7.19 -1.01 0.17 -2.11 0.15 -1.01 -5.01 113.70 97.70 2c3u s SER 1045Ca -0.16 0.90 0.05 0.00 0.70 0.00 0.00 55.95 57.44 2c3u s SER 1045Cb 0.04 1.97 0.01 0.00 -1.71 0.00 0.00 66.02 66.33 2c3u s SER 1045CO 0.83 -0.26 1.39 0.11 1.20 0.00 0.00 173.24 176.52 2c3u h LYS 1046N 8.04 0.11 -0.27 5.44 1.57 -1.82 -3.00 116.57 126.64 2c3u h LYS 1046Ca -0.21 -0.13 -0.02 0.00 -1.87 0.00 0.00 60.65 58.41 2c3u h LYS 1046Cb 1.15 0.04 -0.01 0.00 0.08 0.00 0.00 32.23 33.48 2c3u h LYS 1046CO 0.23 0.90 0.07 1.96 -0.57 0.00 0.00 179.45 182.04 2c3u h GLN 1047N 0.06 0.42 -0.01 3.15 7.50 -1.95 -1.66 115.11 122.63 2c3u h GLN 1047Ca -0.03 -0.10 -0.05 0.00 0.50 0.00 0.00 58.65 58.98 2c3u h GLN 1047Cb 1.50 -0.06 -0.01 0.00 0.05 0.00 0.00 27.48 28.96 2c3u h GLN 1047CO 0.12 0.51 -0.21 0.37 -1.50 0.00 0.00 178.83 178.12 2c3u h GLN 1048N 0.26 0.01 -0.11 1.46 -0.00 -1.97 -1.47 115.11 113.28 2c3u h GLN 1048Ca 0.08 -0.00 -0.04 0.00 -0.00 0.00 0.00 58.65 58.70 2c3u h GLN 1048Cb 0.27 -0.00 -0.00 0.00 0.00 0.00 0.00 27.48 27.74 2c3u h GLN 1048CO -0.00 0.22 -0.07 0.35 0.00 0.00 0.00 178.83 179.33 2c3u h PHE 1049N 0.01 0.29 -0.56 3.99 3.57 -1.33 -2.15 116.94 120.76 2c3u h PHE 1049Ca -0.00 -0.08 0.00 0.00 3.53 0.00 0.00 57.97 61.43 2c3u h PHE 1049Cb 0.38 -0.06 -0.03 0.00 2.79 0.00 0.00 35.95 39.03 2c3u h PHE 1049CO 0.00 0.61 0.36 -0.07 -2.23 0.00 0.00 178.31 176.98 2c3u h LEU 1050N -0.12 0.65 -0.48 0.59 3.38 -0.85 -1.60 115.31 116.89 2c3u h LEU 1050Ca 0.02 -0.03 0.03 0.00 0.09 0.00 0.00 57.88 58.00 2c3u h LEU 1050Cb 0.54 -0.16 -0.04 0.00 0.09 0.00 0.00 40.66 41.09 2c3u h LEU 1050CO 0.02 0.48 0.27 0.50 0.09 0.00 0.00 178.44 179.80 2c3u h LYS 1051N 0.76 0.52 -0.52 1.13 3.64 -1.28 -1.41 116.57 119.42 2c3u h LYS 1051Ca 0.20 -0.03 -0.00 0.00 -1.27 0.00 0.00 60.65 59.55 2c3u h LYS 1051Cb -0.07 -0.12 -0.03 0.00 -0.41 0.00 0.00 32.23 31.61 2c3u h LYS 1051CO -0.04 0.35 0.32 0.28 -2.27 0.00 0.00 179.45 178.08 2c3u h VAL 1052N 0.54 1.15 0.19 2.00 2.07 -1.08 -0.60 116.25 120.53 2c3u h VAL 1052Ca 0.20 -0.34 0.01 0.00 0.82 0.00 0.00 66.70 67.39 2c3u h VAL 1052Cb 0.06 0.45 -0.03 0.00 -1.52 0.00 0.00 31.29 30.25 2c3u h VAL 1052CO -0.11 0.16 -0.26 -0.07 0.02 0.00 0.00 177.57 177.30 2c3u h LEU 1053N 0.69 -0.72 -0.47 2.57 3.38 -0.66 0.21 115.31 120.31 2c3u h LEU 1053Ca 0.19 0.07 0.09 0.00 0.09 0.00 0.00 57.88 58.32 2c3u h LEU 1053Cb -0.02 0.26 -0.07 0.00 0.09 0.00 0.00 40.66 40.92 2c3u h LEU 1053CO -0.04 -0.36 0.04 0.50 0.09 0.00 0.00 178.44 178.67 2c3u h LYS 1054N -0.51 0.15 -0.38 1.13 3.64 -1.09 -0.82 116.57 118.69 2c3u h LYS 1054Ca 0.01 -0.01 -0.14 0.00 -1.27 0.00 0.00 60.65 59.24 2c3u h LYS 1054Cb 0.50 -0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 32.28 2c3u h LYS 1054CO -0.10 0.10 -0.32 0.93 -2.27 0.00 0.00 179.45 177.79 2c3u h GLU 1055N 0.16 0.88 0.11 1.90 5.08 -0.74 -1.88 114.58 120.09 2c3u h GLU 1055Ca 0.24 -0.44 -0.01 0.00 -1.00 0.00 0.00 59.36 58.15 2c3u h GLU 1055Cb 0.33 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.59 2c3u h GLU 1055CO -0.36 1.09 -0.05 0.00 -1.00 0.00 0.00 179.01 178.69 2c3u h ALA 1056N 0.77 -0.15 -0.49 3.43 0.00 -0.36 -1.79 119.26 120.68 2c3u h ALA 1056Ca 0.07 -0.13 -0.02 0.00 0.00 0.00 0.00 54.91 54.83 2c3u h ALA 1056Cb 0.90 0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.73 2c3u h ALA 1056CO 0.08 -0.47 0.24 1.49 0.00 0.00 0.00 179.25 180.59 2c3u h GLU 1057N -0.38 0.71 0.00 0.00 4.22 -1.21 -2.80 114.58 115.11 2c3u h GLU 1057Ca -0.02 -0.10 -0.02 0.00 0.08 0.00 0.00 59.36 59.30 2c3u h GLU 1057Cb 0.31 -0.13 -0.00 0.00 0.50 0.00 0.00 28.75 29.43 2c3u h GLU 1057CO 0.03 0.59 -0.09 0.66 -2.18 0.00 0.00 179.01 178.02 2c3u h SER 1058N 0.65 0.00 -2.25 1.04 4.64 -1.36 -3.43 113.55 112.83 2c3u h SER 1058Ca 0.17 0.00 -0.55 0.00 -0.47 0.00 0.00 61.79 60.94 2c3u h SER 1058Cb 0.11 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.21 2c3u h SER 1058CO -0.02 0.09 1.32 0.12 -0.87 0.00 0.00 176.83 177.47 2c3u s PHE 1059N -3.70 1.26 -1.09 4.77 5.36 -0.67 -4.83 117.98 119.08 2c3u s PHE 1059Ca 0.01 -0.09 -0.13 0.00 -0.96 0.00 0.00 56.93 55.76 2c3u s PHE 1059Cb 0.10 -4.13 -0.07 0.00 -0.34 0.00 0.00 43.02 38.58 2c3u s PHE 1059CO 0.58 -4.99 2.22 -0.35 -1.46 0.00 0.00 175.22 171.22 2c3u n PRO 1060N 7.96 2.32 -3.24 10.12 -0.04 -1.26 -4.69 135.00 146.17 2c3u n PRO 1060Ca 0.23 -1.91 0.00 0.00 -0.04 0.00 0.00 63.50 61.78 2c3u n PRO 1060Cb 0.43 -2.81 0.00 0.00 -0.04 0.00 0.00 33.50 31.08 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 4.03 -1.03 3.76 0.55 0.00 -1.26 -4.76 105.19 106.48 2c3u n GLY 1061Ca 0.53 -0.84 -0.41 0.00 0.00 0.00 0.00 46.02 45.31 2c3u n GLY 1061CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2c3u s PRO 1062N -0.47 4.51 -0.03 1.61 0.04 -0.58 -3.63 135.00 136.46 2c3u s PRO 1062Ca 0.00 1.97 0.04 0.00 0.04 0.00 0.00 61.00 63.04 2c3u s PRO 1062Cb 0.00 -3.16 -0.00 0.00 0.04 0.00 0.00 34.50 31.38 2c3u s PRO 1062CO 0.00 0.01 -0.14 -1.12 0.04 0.00 0.00 177.00 175.79 2c3u s SER 1063N -0.54 1.74 -0.11 6.66 0.01 -0.70 -0.34 113.70 120.41 2c3u s SER 1063Ca 0.48 -0.28 0.00 0.00 1.31 0.00 0.00 55.95 57.47 2c3u s SER 1063Cb -0.35 -0.39 0.02 0.00 0.21 0.00 0.00 66.02 65.52 2c3u s SER 1063CO 0.44 0.14 -0.11 -0.22 0.41 0.00 0.00 173.24 173.90 2c3u s LEU 1064N -0.03 1.43 -0.09 2.44 0.20 0.11 -0.33 118.68 122.41 2c3u s LEU 1064Ca -0.01 -0.36 0.01 0.00 0.69 0.00 0.00 54.13 54.47 2c3u s LEU 1064Cb -0.09 -0.94 0.02 0.00 -0.43 0.00 0.00 46.19 44.75 2c3u s LEU 1064CO 0.01 -0.07 -0.11 -0.69 -0.29 0.00 0.00 176.35 175.20 2c3u s VAL 1065N 1.41 1.16 -0.19 1.68 1.01 0.22 -1.25 120.40 124.45 2c3u s VAL 1065Ca 0.01 -0.44 -0.01 0.00 0.00 0.00 0.00 61.98 61.54 2c3u s VAL 1065Cb -0.13 -1.11 0.01 0.00 0.00 0.00 0.00 36.38 35.15 2c3u s VAL 1065CO -0.06 0.38 -0.15 -0.63 0.00 0.00 0.00 175.10 174.64 2c3u s ILE 1066N 1.13 2.54 0.06 2.22 1.01 -0.55 0.09 121.20 127.71 2c3u s ILE 1066Ca -0.05 -0.78 0.04 0.00 0.00 0.00 0.00 60.65 59.86 2c3u s ILE 1066Cb -0.14 -2.10 -0.04 0.00 0.01 0.00 0.00 42.46 40.19 2c3u s ILE 1066CO -0.02 0.50 -0.00 0.00 0.00 0.00 0.00 174.94 175.42 2c3u s ALA 1067N 1.28 3.28 -0.24 9.38 0.00 -0.04 -0.92 121.76 134.50 2c3u s ALA 1067Ca 0.04 -1.07 -0.25 0.00 0.00 0.00 0.00 51.96 50.68 2c3u s ALA 1067Cb -0.14 -1.22 -0.01 0.00 0.00 0.00 0.00 23.12 21.75 2c3u s ALA 1067CO -0.08 0.68 0.83 -0.47 0.00 0.00 0.00 175.76 176.73 2c3u s TYR 1068N -1.24 3.32 -0.16 0.00 5.04 -0.99 -1.37 117.35 121.94 2c3u s TYR 1068Ca 0.24 1.15 0.01 0.00 -2.44 0.00 0.00 57.07 56.03 2c3u s TYR 1068Cb -0.12 -3.05 0.01 0.00 0.35 0.00 0.00 41.96 39.16 2c3u s TYR 1068CO 0.16 -0.39 -0.20 0.00 -1.34 0.00 0.00 175.55 173.78 2c3u s ALA 1069N 2.79 2.33 0.83 3.97 0.00 -0.49 -4.76 121.76 126.43 2c3u s ALA 1069Ca 0.35 -1.15 -0.11 0.00 0.00 0.00 0.00 51.96 51.05 2c3u s ALA 1069Cb -0.15 -1.12 0.09 0.00 0.00 0.00 0.00 23.12 21.93 2c3u s ALA 1069CO 0.08 -0.19 1.09 0.95 0.00 0.00 0.00 175.76 177.69 2c3u s THR 1070N 1.05 3.02 -0.16 0.00 -4.23 -1.26 -4.18 115.64 109.87 2c3u s THR 1070Ca -0.01 0.33 -0.28 0.00 -1.18 0.00 0.00 61.69 60.55 2c3u s THR 1070Cb -0.14 -2.87 0.09 0.00 1.34 0.00 0.00 72.50 70.91 2c3u s THR 1070CO -0.07 -0.43 0.79 0.00 -0.54 0.00 0.00 174.62 174.37 2c3u h ILE 1072N 3.32 0.74 -0.16 0.00 3.07 -1.95 -0.06 117.51 122.47 2c3u h ILE 1072Ca -0.26 -0.11 0.05 0.00 1.55 0.00 0.00 64.86 66.08 2c3u h ILE 1072Cb 1.15 0.38 -0.01 0.00 -0.27 0.00 0.00 36.82 38.08 2c3u h ILE 1072CO 0.24 0.06 0.13 0.78 -1.05 0.00 0.00 178.15 178.30 2c3u h ASN 1073N 0.33 0.00 0.84 2.16 -0.26 -1.96 -1.73 115.58 114.96 2c3u h ASN 1073Ca 0.38 0.00 -0.05 0.00 -0.56 0.00 0.00 56.30 56.08 2c3u h ASN 1073Cb 1.01 0.00 -0.01 0.00 -1.06 0.00 0.00 38.32 38.27 2c3u h ASN 1073CO -0.11 0.00 -0.21 1.56 -1.06 0.00 0.00 177.43 177.61 2c3u h GLN 1074N 0.00 0.00 -3.55 0.81 4.20 -1.36 -3.43 115.11 111.78 2c3u h GLN 1074Ca 0.08 0.00 -0.15 0.00 0.06 0.00 0.00 58.65 58.64 2c3u h GLN 1074Cb 0.33 0.00 0.07 0.00 0.30 0.00 0.00 27.48 28.19 2c3u h GLN 1074CO -0.00 0.21 -0.34 0.41 -0.67 0.00 0.00 178.83 178.45 2c3u n GLY 1075N 0.04 0.12 3.64 3.46 0.00 -0.65 -2.04 105.19 109.76 2c3u n GLY 1075Ca -0.00 -0.23 -0.44 0.00 0.00 0.00 0.00 46.02 45.35 2c3u n GLY 1075CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2c3u n LEU 1076N -2.41 3.68 0.10 0.99 4.77 -1.26 -0.61 117.00 122.26 2c3u n LEU 1076Ca -0.11 0.72 0.18 0.00 -0.03 0.00 0.00 56.01 56.77 2c3u n LEU 1076Cb 0.57 -1.48 0.73 0.00 -2.33 0.00 0.00 43.42 40.90 2c3u n LEU 1076CO 0.27 -0.12 1.16 -0.09 -1.33 0.00 0.00 177.39 177.29 2c3u h ARG 1077N 11.47 0.00 -0.34 3.23 2.43 -1.54 -2.62 114.38 127.01 2c3u h ARG 1077Ca -0.46 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.71 2c3u h ARG 1077Cb 1.25 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.80 2c3u h ARG 1077CO 0.95 0.00 0.00 1.63 -1.51 0.00 0.00 179.97 181.04 2c3u n LYS 1078N -4.17 2.64 0.00 0.20 5.02 -1.26 -5.09 118.16 115.50 2c3u n LYS 1078Ca 0.06 -2.01 0.00 0.00 -2.02 0.00 0.00 58.31 54.33 2c3u n LYS 1078Cb 0.47 -1.29 0.00 0.00 -0.02 0.00 0.00 35.03 34.19 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 0.62 2.78 0.06 0.72 0.00 -0.99 -4.76 105.19 103.62 2c3u n GLY 1079Ca 0.12 -1.86 0.09 0.00 0.00 0.00 0.00 46.02 44.37 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 0.46 0.09 0.00 1.61 2.81 -1.26 -1.87 117.12 118.96 2c3u n MET 1080Ca 0.00 0.33 0.08 0.00 -1.81 0.00 0.00 57.70 56.31 2c3u n MET 1080Cb 0.00 -1.67 0.48 0.00 -0.71 0.00 0.00 33.22 31.31 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 -0.01 -0.66 0.92 3.03 0.00 -1.23 -1.25 105.19 105.99 2c3u n GLY 1081Ca 0.03 -0.10 0.09 0.00 0.00 0.00 0.00 46.02 46.04 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 -1.11 2.49 -0.06 1.61 4.76 -0.78 -3.81 118.16 121.26 2c3u n LYS 1082Ca 0.11 -2.16 -0.08 0.00 -2.87 0.00 0.00 58.31 53.30 2c3u n LYS 1082Cb 0.09 -1.39 -0.02 0.00 -1.84 0.00 0.00 35.03 31.86 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 3.16 -0.86 -0.66 4.39 0.02 -1.36 0.44 113.55 118.68 2c3u h SER 1083Ca 0.00 0.15 0.07 0.00 -0.84 0.00 0.00 61.79 61.17 2c3u h SER 1083Cb 0.82 0.40 -0.06 0.00 0.14 0.00 0.00 62.40 63.71 2c3u h SER 1083CO 0.00 -0.30 0.35 1.56 -1.14 0.00 0.00 176.83 177.31 2c3u h GLN 1084N -0.27 0.62 -0.58 3.45 1.08 -1.83 0.46 115.11 118.05 2c3u h GLN 1084Ca 0.14 -0.04 -0.06 0.00 -1.45 0.00 0.00 58.65 57.25 2c3u h GLN 1084Cb 0.49 -0.14 -0.02 0.00 -0.05 0.00 0.00 27.48 27.75 2c3u h GLN 1084CO -0.42 0.41 0.14 0.22 -0.95 0.00 0.00 178.83 178.24 2c3u h ASP 1085N 0.64 0.88 -0.68 1.46 3.58 -1.62 -1.03 116.42 119.65 2c3u h ASP 1085Ca 0.30 -0.23 -0.06 0.00 0.42 0.00 0.00 57.03 57.46 2c3u h ASP 1085Cb 0.23 -0.23 -0.03 0.00 1.72 0.00 0.00 39.33 41.02 2c3u h ASP 1085CO -0.20 0.89 0.19 0.58 -2.88 0.00 0.00 179.24 177.82 2c3u h VAL 1086N 0.83 1.26 -0.59 2.25 2.07 0.10 -0.43 116.25 121.74 2c3u h VAL 1086Ca 0.18 -0.91 -0.01 0.00 0.82 0.00 0.00 66.70 66.79 2c3u h VAL 1086Cb 0.35 0.56 -0.03 0.00 -1.52 0.00 0.00 31.29 30.65 2c3u h VAL 1086CO 0.00 0.35 0.34 0.24 0.02 0.00 0.00 177.57 178.52 2c3u h MET 1087N 1.00 0.81 -0.03 1.57 2.86 0.16 0.13 114.93 121.42 2c3u h MET 1087Ca 0.22 -0.07 -0.00 0.00 -2.06 0.00 0.00 59.70 57.78 2c3u h MET 1087Cb 0.33 -0.17 -0.00 0.00 0.06 0.00 0.00 31.60 31.82 2c3u h MET 1087CO -0.00 0.58 0.00 -0.97 1.06 0.00 0.00 176.91 177.58 2c3u h ASN 1088N 0.82 0.05 0.12 1.22 -0.00 -0.38 -3.02 115.58 114.39 2c3u h ASN 1088Ca 0.21 -0.29 -0.07 0.00 -0.00 0.00 0.00 56.30 56.16 2c3u h ASN 1088Cb -0.00 -0.01 -0.01 0.00 -0.00 0.00 0.00 38.32 38.29 2c3u h ASN 1088CO -0.04 0.33 -0.23 0.74 -0.00 0.00 0.00 177.43 178.23 2c3u h THR 1089N -0.22 1.22 -1.00 -3.57 2.02 -0.74 -1.62 112.91 108.99 2c3u h THR 1089Ca 0.01 -1.02 0.16 0.00 0.77 0.00 0.00 66.41 66.33 2c3u h THR 1089Cb 0.30 1.39 -0.09 0.00 -1.74 0.00 0.00 68.15 68.00 2c3u h THR 1089CO 0.00 0.31 0.62 0.00 0.37 0.00 0.00 175.52 176.82 2c3u h ALA 1090N 1.59 1.61 0.01 6.16 0.00 -0.63 0.73 119.26 128.73 2c3u h ALA 1090Ca 0.03 0.05 -0.09 0.00 0.00 0.00 0.00 54.91 54.90 2c3u h ALA 1090Cb 0.51 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 2c3u h ALA 1090CO 0.04 0.08 -0.49 0.28 0.00 0.00 0.00 179.25 179.15 2c3u h VAL 1091N 0.87 1.47 -0.66 0.00 2.07 -1.40 0.42 116.25 119.01 2c3u h VAL 1091Ca 0.54 -2.30 0.09 0.00 0.82 0.00 0.00 66.70 65.85 2c3u h VAL 1091Cb 0.70 2.97 -0.04 0.00 -1.52 0.00 0.00 31.29 33.40 2c3u h VAL 1091CO -0.32 0.51 0.44 0.11 0.02 0.00 0.00 177.57 178.33 2c3u h LYS 1092N -0.97 0.54 0.00 1.57 1.57 -1.07 0.13 116.57 118.34 2c3u h LYS 1092Ca -0.13 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.61 2c3u h LYS 1092Cb 1.14 -0.12 0.00 0.00 0.08 0.00 0.00 32.23 33.33 2c3u h LYS 1092CO -0.07 0.36 0.00 0.66 -0.57 0.00 0.00 179.45 179.83 2c3u h SER 1093N 0.56 0.00 0.00 0.86 4.64 -1.01 -1.70 113.55 116.90 2c3u h SER 1093Ca 0.30 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.62 2c3u h SER 1093Cb 0.44 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.53 2c3u h SER 1093CO -0.09 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.48 2c3u n GLY 1094N 0.28 0.91 0.15 -0.77 0.00 0.46 -4.03 105.19 102.18 2c3u n GLY 1094Ca 0.02 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.95 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 0.41 -2.79 1.61 3.20 -1.58 -3.35 116.97 114.47 2c3u h TYR 1095Ca 0.00 -0.01 -0.61 0.00 3.14 0.00 0.00 58.73 61.25 2c3u h TYR 1095Cb 0.00 -0.13 -0.41 0.00 1.54 0.00 0.00 36.73 37.73 2c3u h TYR 1095CO 0.00 0.35 -0.69 1.87 -1.64 0.00 0.00 178.16 178.05 2c3u n TRP 1096N -4.81 2.19 -2.23 -3.82 -0.00 0.14 -5.00 117.44 103.92 2c3u n TRP 1096Ca -0.02 -4.04 -0.40 0.00 -0.00 0.00 0.00 57.50 53.04 2c3u n TRP 1096Cb 0.09 -0.40 -0.03 0.00 -0.00 0.00 0.00 31.31 30.97 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 4.43 -0.00 5.87 0.04 -1.26 -4.09 135.00 138.79 2c3u s PRO 1097Ca 0.29 2.08 -0.12 0.00 0.04 0.00 0.00 61.00 63.28 2c3u s PRO 1097Cb 0.00 -3.09 -0.05 0.00 0.04 0.00 0.00 34.50 31.40 2c3u s PRO 1097CO -0.16 -0.07 0.36 -0.51 0.04 0.00 0.00 177.00 176.66 2c3u s LEU 1098N -1.71 4.43 0.24 -3.56 1.43 -1.26 -4.88 118.68 113.37 2c3u s LEU 1098Ca 0.48 0.84 -0.22 0.00 -1.03 0.00 0.00 54.13 54.20 2c3u s LEU 1098Cb -0.37 -2.59 0.04 0.00 0.03 0.00 0.00 46.19 43.30 2c3u s LEU 1098CO 0.49 0.31 0.71 0.72 0.23 0.00 0.00 176.35 178.81 2c3u s PHE 1099N -1.14 -0.27 -0.02 0.29 -0.12 -1.25 -0.71 117.98 114.75 2c3u s PHE 1099Ca 0.24 -0.12 0.01 0.00 -0.05 0.00 0.00 56.93 57.01 2c3u s PHE 1099Cb -0.15 0.67 0.02 0.00 -0.63 0.00 0.00 43.02 42.93 2c3u s PHE 1099CO 0.13 -1.11 -0.01 1.03 -0.05 0.00 0.00 175.22 175.22 2c3u s ARG 1100N -3.82 0.30 -0.33 1.99 0.52 0.17 -2.18 118.95 115.61 2c3u s ARG 1100Ca 0.09 0.03 0.00 0.00 -0.52 0.00 0.00 55.73 55.34 2c3u s ARG 1100Cb -0.04 -0.44 0.08 0.00 0.52 0.00 0.00 34.95 35.07 2c3u s ARG 1100CO 0.02 -0.09 0.04 -0.47 0.02 0.00 0.00 175.30 174.81 2c3u s TYR 1101N 0.79 3.47 -0.33 -0.53 5.04 0.16 0.10 117.35 126.05 2c3u s TYR 1101Ca -0.08 -2.38 -0.01 0.00 -2.44 0.00 0.00 57.07 52.15 2c3u s TYR 1101Cb -0.11 -2.55 0.07 0.00 0.35 0.00 0.00 41.96 39.72 2c3u s TYR 1101CO -0.01 -0.90 0.05 0.34 -1.34 0.00 0.00 175.55 173.69 2c3u s ASP 1102N 1.26 4.95 0.50 4.32 -1.08 0.40 -1.89 116.67 125.13 2c3u s ASP 1102Ca 0.01 -1.56 0.24 0.00 -0.52 0.00 0.00 52.55 50.73 2c3u s ASP 1102Cb -0.20 -1.72 1.31 0.00 -1.46 0.00 0.00 42.92 40.84 2c3u s ASP 1102CO -0.04 -0.34 1.93 -0.65 0.52 0.00 0.00 175.17 176.58 2c3u h PRO 1103N 7.96 0.13 0.00 4.34 0.11 -1.83 -1.78 132.00 140.93 2c3u h PRO 1103Ca -0.17 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.93 2c3u h PRO 1103Cb 1.05 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.13 2c3u h PRO 1103CO 0.57 0.09 0.00 2.89 -0.21 0.00 0.00 178.00 181.34 2c3u n ARG 1104N -4.38 0.16 0.04 1.05 1.85 -1.26 -1.99 116.66 112.12 2c3u n ARG 1104Ca 0.15 0.33 -0.15 0.00 -1.00 0.00 0.00 57.85 57.18 2c3u n ARG 1104Cb 0.72 -1.77 -0.05 0.00 -1.05 0.00 0.00 32.46 30.30 2c3u n ARG 1104CO 0.00 0.00 0.00 -0.07 -0.01 0.00 0.00 177.63 177.55 2c3u h LEU 1105N 0.00 0.71 -1.67 2.89 3.38 -1.62 -2.86 115.31 116.14 2c3u h LEU 1105Ca 0.00 -0.52 -0.03 0.00 0.09 0.00 0.00 57.88 57.41 2c3u h LEU 1105Cb 0.41 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.95 2c3u h LEU 1105CO 0.00 1.31 -0.15 0.00 0.09 0.00 0.00 178.44 179.69 2c3u h ALA 1106N 0.66 1.73 0.00 1.53 0.00 -1.23 0.13 119.26 122.08 2c3u h ALA 1106Ca -0.08 -0.14 -0.02 0.00 0.00 0.00 0.00 54.91 54.67 2c3u h ALA 1106Cb 1.51 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 19.27 2c3u h ALA 1106CO 0.17 0.21 -0.09 0.00 0.00 0.00 0.00 179.25 179.53 2c3u h ALA 1107N 1.83 1.01 -0.22 0.00 0.00 -1.28 -2.03 119.26 118.57 2c3u h ALA 1107Ca 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.83 2c3u h ALA 1107Cb 0.28 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.05 2c3u h ALA 1107CO 0.02 0.11 0.00 1.04 0.00 0.00 0.00 179.25 180.42 2c3u n GLN 1108N -3.21 1.93 -1.00 0.00 6.02 0.28 -4.91 117.38 116.49 2c3u n GLN 1108Ca 0.01 -1.40 -0.00 0.00 -0.01 0.00 0.00 57.00 55.59 2c3u n GLN 1108Cb 0.37 -1.42 -0.00 0.00 1.02 0.00 0.00 30.24 30.21 2c3u n GLN 1108CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2c3u n GLY 1109N 1.22 0.45 3.81 1.08 0.00 -0.76 -5.04 105.19 105.96 2c3u n GLY 1109Ca 0.17 -0.48 -0.22 0.00 0.00 0.00 0.00 46.02 45.49 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 -0.91 2.85 -0.04 1.61 1.02 -0.14 -4.98 119.74 119.14 2c3u s LYS 1110Ca 0.00 -1.11 -0.30 0.00 0.02 0.00 0.00 55.97 54.58 2c3u s LYS 1110Cb 0.00 -2.52 -0.05 0.00 -0.52 0.00 0.00 37.83 34.74 2c3u s LYS 1110CO 0.00 0.36 1.47 1.21 -0.92 0.00 0.00 175.35 177.47 2c3u s ASN 1111N -3.85 6.80 0.44 2.83 3.84 -1.26 -2.81 114.94 120.93 2c3u s ASN 1111Ca 0.34 2.09 0.14 0.00 0.21 0.00 0.00 52.86 55.64 2c3u s ASN 1111Cb -0.07 -2.55 0.98 0.00 -0.55 0.00 0.00 41.25 39.06 2c3u s ASN 1111CO 0.25 -0.80 1.98 1.55 -2.79 0.00 0.00 177.10 177.29 2c3u h PRO 1112N 8.44 0.01 -5.52 0.43 0.13 -1.87 -3.43 132.00 130.20 2c3u h PRO 1112Ca -0.36 -0.00 -0.61 0.00 -0.87 0.00 0.00 66.00 64.16 2c3u h PRO 1112Cb 1.17 -0.00 -0.11 0.00 0.13 0.00 0.00 31.00 32.18 2c3u h PRO 1112CO 0.93 0.20 0.12 0.12 -0.23 0.00 0.00 178.00 179.14 2c3u s PHE 1113N -4.62 3.30 -0.09 1.56 5.36 -1.26 -0.46 117.98 121.78 2c3u s PHE 1113Ca -0.04 0.81 0.03 0.00 -0.96 0.00 0.00 56.93 56.77 2c3u s PHE 1113Cb 0.16 -2.81 0.01 0.00 -0.34 0.00 0.00 43.02 40.03 2c3u s PHE 1113CO 0.70 -0.28 -0.19 -0.65 -1.46 0.00 0.00 175.22 173.34 2c3u s GLN 1114N 2.33 2.51 -0.11 10.12 -0.21 0.11 -4.52 119.66 129.89 2c3u s GLN 1114Ca 0.26 -0.69 -0.23 0.00 0.02 0.00 0.00 55.36 54.72 2c3u s GLN 1114Cb -0.16 -1.95 -0.03 0.00 1.00 0.00 0.00 33.01 31.87 2c3u s GLN 1114CO 0.09 0.11 0.69 -1.17 -2.12 0.00 0.00 175.29 172.88 2c3u s LEU 1115N 0.50 4.26 -0.00 2.90 0.20 -1.26 -0.65 118.68 124.62 2c3u s LEU 1115Ca -0.16 1.08 0.18 0.00 0.69 0.00 0.00 54.13 55.92 2c3u s LEU 1115Cb -0.17 -3.03 -0.20 0.00 -0.43 0.00 0.00 46.19 42.35 2c3u s LEU 1115CO 0.06 -0.18 0.70 0.47 -0.29 0.00 0.00 176.35 177.12 2c3u n ASP 1116N 4.23 0.83 -4.77 3.68 8.00 0.11 -4.96 116.55 123.67 2c3u n ASP 1116Ca -0.01 -0.79 -0.33 0.00 0.71 0.00 0.00 54.79 54.37 2c3u n ASP 1116Cb 0.51 1.11 -0.07 0.00 -0.02 0.00 0.00 41.12 42.65 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 -2.86 4.16 0.42 -2.24 1.04 -1.10 -4.91 113.70 108.20 2c3u s SER 1117Ca 0.05 -1.63 0.08 0.00 0.48 0.00 0.00 55.95 54.93 2c3u s SER 1117Cb 0.13 0.50 -0.01 0.00 0.10 0.00 0.00 66.02 66.74 2c3u s SER 1117CO 0.73 -0.86 0.43 -0.54 0.98 0.00 0.00 173.24 173.98 2c3u s LYS 1118N -3.90 2.62 0.46 4.02 1.02 -1.26 -4.92 119.74 117.79 2c3u s LYS 1118Ca 0.08 -1.45 -0.24 0.00 0.02 0.00 0.00 55.97 54.38 2c3u s LYS 1118Cb 0.02 -2.49 -0.09 0.00 -0.52 0.00 0.00 37.83 34.75 2c3u s LYS 1118CO 0.04 -0.21 1.17 0.00 -0.92 0.00 0.00 175.35 175.43 2c3u n ALA 1119N -1.64 0.87 -1.49 5.17 0.00 -1.26 -4.74 120.51 117.42 2c3u n ALA 1119Ca 0.05 0.20 -0.58 0.00 0.00 0.00 0.00 53.44 53.10 2c3u n ALA 1119Cb 0.61 -2.20 -0.08 0.00 0.00 0.00 0.00 19.45 17.77 2c3u n ALA 1119CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 2c3u n PRO 1120N -0.21 0.00 -0.08 0.00 -0.02 -1.26 -4.82 135.00 128.61 2c3u n PRO 1120Ca 0.09 0.00 0.11 0.00 -2.02 0.00 0.00 63.50 61.68 2c3u n PRO 1120Cb 0.41 -1.47 0.34 0.00 -0.02 0.00 0.00 33.50 32.76 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 1.62 2.15 0.00 2.55 5.75 -0.64 -4.94 116.55 123.04 2c3u n ASP 1121Ca 0.20 -1.76 0.00 0.00 -0.01 0.00 0.00 54.79 53.22 2c3u n ASP 1121Cb 0.07 -0.11 0.00 0.00 -1.03 0.00 0.00 41.12 40.05 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 1.24 0.73 1.59 6.12 0.00 -1.26 -4.96 105.19 108.65 2c3u n GLY 1122Ca 0.17 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.28 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 4.81 -0.17 1.61 3.41 -1.26 -4.59 113.62 117.43 2c3u n SER 1123Ca 0.00 -2.48 -0.04 0.00 -0.26 0.00 0.00 58.87 56.09 2c3u n SER 1123Cb 0.00 -0.58 0.06 0.00 -0.26 0.00 0.00 64.21 63.43 2c3u n SER 1123CO 0.00 0.00 0.00 -0.37 -0.16 0.00 0.00 175.04 174.51 2c3u h VAL 1124N 4.04 0.92 -0.44 -3.33 -1.51 -1.93 -1.55 116.25 112.45 2c3u h VAL 1124Ca 0.00 -0.16 0.09 0.00 -1.23 0.00 0.00 66.70 65.40 2c3u h VAL 1124Cb 1.48 0.41 -0.09 0.00 -2.13 0.00 0.00 31.29 30.96 2c3u h VAL 1124CO 0.25 0.09 -0.15 -0.08 -1.23 0.00 0.00 177.57 176.45 2c3u h GLU 1125N 0.48 -0.04 -0.06 5.19 4.57 -1.94 0.52 114.58 123.29 2c3u h GLU 1125Ca 0.23 0.00 -0.10 0.00 -1.18 0.00 0.00 59.36 58.32 2c3u h GLU 1125Cb 0.17 0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 28.76 2c3u h GLU 1125CO -0.18 -0.03 -0.41 1.05 -1.18 0.00 0.00 179.01 178.26 2c3u h GLU 1126N -0.05 0.13 -0.01 1.92 9.09 -1.85 -0.67 114.58 123.14 2c3u h GLU 1126Ca 0.21 -0.06 -0.00 0.00 0.05 0.00 0.00 59.36 59.56 2c3u h GLU 1126Cb 0.37 -0.00 -0.00 0.00 -1.65 0.00 0.00 28.75 27.47 2c3u h GLU 1126CO -0.48 0.52 0.01 0.35 0.05 0.00 0.00 179.01 179.46 2c3u h PHE 1127N 0.11 0.02 0.11 2.06 3.57 0.30 -1.92 116.94 121.19 2c3u h PHE 1127Ca 0.01 -0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.50 2c3u h PHE 1127Cb 0.77 -0.01 0.00 0.00 2.79 0.00 0.00 35.95 39.51 2c3u h PHE 1127CO 0.01 0.12 -0.05 -0.07 -2.23 0.00 0.00 178.31 176.08 2c3u h LEU 1128N -0.08 -0.12 -1.55 0.59 3.38 0.08 -3.03 115.31 114.58 2c3u h LEU 1128Ca 0.00 -0.21 0.00 0.00 0.09 0.00 0.00 57.88 57.76 2c3u h LEU 1128Cb 0.10 0.03 0.00 0.00 0.09 0.00 0.00 40.66 40.88 2c3u h LEU 1128CO -0.00 0.15 0.00 0.24 0.09 0.00 0.00 178.44 178.92 2c3u h MET 1129N -0.40 0.00 -0.08 1.13 2.86 -1.13 -0.71 114.93 116.60 2c3u h MET 1129Ca -0.01 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.63 2c3u h MET 1129Cb 0.33 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.99 2c3u h MET 1129CO 0.02 0.00 0.00 0.00 1.06 0.00 0.00 176.91 177.99 2c3u n ALA 1130N -1.83 2.57 -3.57 6.32 0.00 -0.72 -4.65 120.51 118.63 2c3u n ALA 1130Ca -0.01 -0.34 -0.29 0.00 0.00 0.00 0.00 53.44 52.79 2c3u n ALA 1130Cb 0.07 -1.20 -0.17 0.00 0.00 0.00 0.00 19.45 18.16 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 -1.90 2.42 0.51 0.00 -0.21 -0.27 -1.27 119.66 118.94 2c3u s GLN 1131Ca 0.32 -0.64 0.19 0.00 0.02 0.00 0.00 55.36 55.24 2c3u s GLN 1131Cb 0.16 -1.99 1.29 0.00 1.00 0.00 0.00 33.01 33.47 2c3u s GLN 1131CO 0.25 -0.01 2.08 -0.97 -2.12 0.00 0.00 175.29 174.52 2c3u h ASN 1132N 7.24 0.04 0.00 5.90 -0.73 -0.66 0.82 115.58 128.18 2c3u h ASN 1132Ca -0.29 0.00 0.00 0.00 1.87 0.00 0.00 56.30 57.88 2c3u h ASN 1132Cb 1.19 -0.01 0.00 0.00 0.27 0.00 0.00 38.32 39.77 2c3u h ASN 1132CO 0.50 0.03 0.08 0.08 -0.37 0.00 0.00 177.43 177.74 2c3u h ARG 1133N 0.05 0.00 0.00 6.67 0.11 -1.67 -0.52 114.38 119.02 2c3u h ARG 1133Ca 0.12 0.00 -0.21 0.00 0.10 0.00 0.00 59.98 59.99 2c3u h ARG 1133Cb 0.43 0.00 -0.04 0.00 1.11 0.00 0.00 29.97 31.47 2c3u h ARG 1133CO -0.01 0.00 -1.78 1.19 0.10 0.00 0.00 179.97 179.48 2c3u n PHE 1134N -2.65 0.00 -0.37 4.08 3.01 0.07 -0.27 117.46 121.33 2c3u n PHE 1134Ca -0.02 0.00 -0.00 0.00 1.01 0.00 0.00 57.45 58.44 2c3u n PHE 1134Cb 0.13 -0.52 0.13 0.00 -0.01 0.00 0.00 39.48 39.21 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 -0.13 1.30 -0.79 4.37 0.00 -0.50 -2.37 119.26 121.15 2c3u h ALA 1135Ca -0.32 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.54 2c3u h ALA 1135Cb 1.43 -0.36 -0.04 0.00 0.00 0.00 0.00 17.79 18.82 2c3u h ALA 1135CO -0.09 0.57 0.50 -0.39 0.00 0.00 0.00 179.25 179.83 2c3u h VAL 1136N 1.28 1.21 -0.72 0.00 -1.51 -1.36 -0.82 116.25 114.33 2c3u h VAL 1136Ca 0.39 -0.43 0.01 0.00 -1.23 0.00 0.00 66.70 65.43 2c3u h VAL 1136Cb -0.03 0.08 -0.04 0.00 -2.13 0.00 0.00 31.29 29.16 2c3u h VAL 1136CO -0.11 0.22 0.48 0.25 -1.23 0.00 0.00 177.57 177.17 2c3u h LEU 1137N 1.08 0.82 -0.64 4.19 6.46 -1.66 -0.69 115.31 124.87 2c3u h LEU 1137Ca 0.29 -0.02 -0.02 0.00 -0.12 0.00 0.00 57.88 58.01 2c3u h LEU 1137Cb -0.08 -0.20 -0.03 0.00 -0.73 0.00 0.00 40.66 39.62 2c3u h LEU 1137CO -0.06 0.59 0.34 -0.78 -0.62 0.00 0.00 178.44 177.91 2c3u h ASP 1138N 0.97 0.81 0.42 1.25 3.58 -0.96 0.55 116.42 123.05 2c3u h ASP 1138Ca 0.27 -0.11 -0.08 0.00 0.42 0.00 0.00 57.03 57.53 2c3u h ASP 1138Cb -0.10 -0.21 -0.01 0.00 1.72 0.00 0.00 39.33 40.73 2c3u h ASP 1138CO -0.06 0.69 -0.39 0.03 -2.88 0.00 0.00 179.24 176.63 2c3u h ARG 1139N 0.88 0.00 0.03 0.28 3.08 -0.57 -3.02 114.38 115.06 2c3u h ARG 1139Ca 0.22 0.00 -0.38 0.00 0.07 0.00 0.00 59.98 59.89 2c3u h ARG 1139Cb 0.07 0.00 -0.06 0.00 0.08 0.00 0.00 29.97 30.06 2c3u h ARG 1139CO -0.03 0.39 -2.34 0.43 -1.07 0.00 0.00 179.97 177.34 2c3u n SER 1140N -4.01 1.96 -3.30 7.04 7.64 -0.33 -4.76 113.62 117.86 2c3u n SER 1140Ca -0.02 -0.04 -0.25 0.00 1.01 0.00 0.00 58.87 59.57 2c3u n SER 1140Cb 0.43 -0.49 -0.08 0.00 -1.01 0.00 0.00 64.21 63.06 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 -3.30 1.05 -0.28 1.43 3.01 0.19 -5.00 117.46 114.56 2c3u n PHE 1141Ca -0.42 -3.77 -0.07 0.00 1.01 0.00 0.00 57.45 54.21 2c3u n PHE 1141Cb 1.01 -0.39 -0.03 0.00 -0.01 0.00 0.00 39.48 40.06 2c3u n PHE 1141CO 0.00 0.00 0.00 -1.35 1.01 0.00 0.00 176.76 176.42 2c3u h PRO 1142N 4.19 -0.13 0.35 -1.08 0.11 -1.63 -0.29 132.00 133.52 2c3u h PRO 1142Ca 0.13 0.01 -0.00 0.00 0.11 0.00 0.00 66.00 66.24 2c3u h PRO 1142Cb 0.80 0.03 -0.02 0.00 0.11 0.00 0.00 31.00 31.93 2c3u h PRO 1142CO 0.59 -0.09 -0.31 0.93 -0.21 0.00 0.00 178.00 178.91 2c3u h GLU 1143N -0.14 -0.66 -0.89 1.05 5.08 -1.92 -1.32 114.58 115.78 2c3u h GLU 1143Ca 0.22 0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.63 2c3u h GLU 1143Cb 0.55 0.15 -0.04 0.00 0.50 0.00 0.00 28.75 29.90 2c3u h GLU 1143CO -0.80 -0.44 0.57 -0.44 -1.00 0.00 0.00 179.01 176.91 2c3u h ASP 1144N -0.68 1.04 -0.66 1.42 3.45 -1.89 -2.73 116.42 116.37 2c3u h ASP 1144Ca -0.02 -0.04 -0.02 0.00 0.43 0.00 0.00 57.03 57.37 2c3u h ASP 1144Cb 0.61 -0.26 -0.03 0.00 -0.56 0.00 0.00 39.33 39.08 2c3u h ASP 1144CO -0.04 0.77 0.32 0.00 -1.57 0.00 0.00 179.24 178.73 2c3u h ALA 1145N 1.31 0.86 -0.63 3.45 0.00 -0.79 -0.05 119.26 123.42 2c3u h ALA 1145Ca 0.32 -0.14 -0.08 0.00 0.00 0.00 0.00 54.91 55.02 2c3u h ALA 1145Cb -0.11 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 17.39 2c3u h ALA 1145CO -0.07 0.42 0.08 1.57 0.00 0.00 0.00 179.25 181.25 2c3u h LYS 1146N 0.92 1.04 -0.29 0.00 2.10 -1.09 0.17 116.57 119.42 2c3u h LYS 1146Ca 0.23 -0.28 -0.01 0.00 -2.00 0.00 0.00 60.65 58.59 2c3u h LYS 1146Cb 0.11 -0.12 -0.01 0.00 -0.90 0.00 0.00 32.23 31.31 2c3u h LYS 1146CO -0.03 0.97 0.16 0.00 -2.00 0.00 0.00 179.45 178.55 2c3u h ARG 1147N 0.97 0.41 -0.18 0.07 3.08 -1.17 -0.50 114.38 117.06 2c3u h ARG 1147Ca 0.19 -0.05 -0.12 0.00 0.07 0.00 0.00 59.98 60.07 2c3u h ARG 1147Cb 0.45 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 30.41 2c3u h ARG 1147CO 0.02 0.36 -0.39 -0.07 -1.07 0.00 0.00 179.97 178.81 2c3u h LEU 1148N 0.35 0.41 -0.52 3.04 3.38 -0.61 0.21 115.31 121.57 2c3u h LEU 1148Ca 0.10 -0.17 -0.16 0.00 0.09 0.00 0.00 57.88 57.74 2c3u h LEU 1148Cb 0.07 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.69 2c3u h LEU 1148CO -0.02 0.77 -0.71 0.03 0.09 0.00 0.00 178.44 178.60 2c3u h ARG 1149N 0.33 0.16 -0.33 1.13 3.08 -0.54 -1.38 114.38 116.83 2c3u h ARG 1149Ca 0.03 -0.14 -0.16 0.00 0.07 0.00 0.00 59.98 59.78 2c3u h ARG 1149Cb 0.84 0.03 -0.00 0.00 0.08 0.00 0.00 29.97 30.91 2c3u h ARG 1149CO 0.07 0.81 -0.44 0.00 -1.07 0.00 0.00 179.97 179.33 2c3u h ALA 1150N 1.15 0.59 -0.80 0.04 0.00 -0.74 -2.44 119.26 117.06 2c3u h ALA 1150Ca -0.02 -0.47 -0.03 0.00 0.00 0.00 0.00 54.91 54.39 2c3u h ALA 1150Cb 1.27 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 18.91 2c3u h ALA 1150CO 0.11 0.68 0.39 0.37 0.00 0.00 0.00 179.25 180.79 2c3u h GLN 1151N 0.68 1.15 -0.68 0.00 4.15 -0.33 -1.56 115.11 118.52 2c3u h GLN 1151Ca 0.04 -0.16 -0.04 0.00 0.77 0.00 0.00 58.65 59.26 2c3u h GLN 1151Cb 1.03 -0.21 -0.03 0.00 0.21 0.00 0.00 27.48 28.48 2c3u h GLN 1151CO 0.10 0.88 0.28 0.28 -1.93 0.00 0.00 178.83 178.44 2c3u h VAL 1152N 1.14 1.24 -0.09 2.39 2.07 -1.05 -0.23 116.25 121.72 2c3u h VAL 1152Ca 0.28 -0.75 -0.05 0.00 0.82 0.00 0.00 66.70 67.00 2c3u h VAL 1152Cb 0.11 0.46 -0.01 0.00 -1.52 0.00 0.00 31.29 30.34 2c3u h VAL 1152CO -0.04 0.30 -0.16 0.00 0.02 0.00 0.00 177.57 177.69 2c3u h ALA 1153N 1.12 1.56 -0.02 1.67 0.00 -0.98 -2.05 119.26 120.57 2c3u h ALA 1153Ca 0.23 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 2c3u h ALA 1153Cb 0.20 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.92 2c3u h ALA 1153CO -0.02 0.32 -0.04 1.25 0.00 0.00 0.00 179.25 180.75 2c3u h HIS 1154N 0.14 0.08 -0.19 0.00 6.17 -0.52 -2.76 115.15 118.07 2c3u h HIS 1154Ca 0.03 -0.03 0.05 0.00 0.71 0.00 0.00 60.37 61.13 2c3u h HIS 1154Cb 0.37 -0.01 -0.06 0.00 2.52 0.00 0.00 27.41 30.23 2c3u h HIS 1154CO 0.00 0.66 -0.21 0.93 0.71 0.00 0.00 177.93 180.02 2c3u h GLU 1155N -0.53 -0.23 0.00 5.26 5.08 -0.79 -1.09 114.58 122.27 2c3u h GLU 1155Ca -0.00 0.02 -0.04 0.00 -1.00 0.00 0.00 59.36 58.34 2c3u h GLU 1155Cb 0.66 0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.95 2c3u h GLU 1155CO 0.01 -0.16 -0.17 1.37 -1.00 0.00 0.00 179.01 179.07 2c3u h LEU 1156N -0.24 0.00 -0.08 1.33 8.10 -1.48 -0.01 115.31 122.93 2c3u h LEU 1156Ca 0.12 0.00 -0.02 0.00 0.11 0.00 0.00 57.88 58.09 2c3u h LEU 1156Cb 0.42 0.00 -0.00 0.00 -0.44 0.00 0.00 40.66 40.64 2c3u h LEU 1156CO -0.33 0.17 -0.02 -0.78 -4.11 0.00 0.00 178.44 173.38 2c3u h ASP 1157N 0.00 0.14 -0.30 0.17 3.58 -0.93 -1.60 116.42 117.49 2c3u h ASP 1157Ca -0.00 -0.36 -0.03 0.00 0.42 0.00 0.00 57.03 57.05 2c3u h ASP 1157Cb 0.41 -0.04 -0.01 0.00 1.72 0.00 0.00 39.33 41.41 2c3u h ASP 1157CO 0.02 0.47 0.06 0.58 -2.88 0.00 0.00 179.24 177.49 2c3u h VAL 1158N -0.19 1.23 -0.20 2.25 2.07 -0.89 -2.60 116.25 117.91 2c3u h VAL 1158Ca 0.02 -0.77 0.03 0.00 0.82 0.00 0.00 66.70 66.80 2c3u h VAL 1158Cb 0.41 1.16 -0.03 0.00 -1.52 0.00 0.00 31.29 31.31 2c3u h VAL 1158CO 0.01 0.25 0.03 -0.09 0.02 0.00 0.00 177.57 177.79 2c3u h ARG 1159N 0.32 0.10 -0.65 1.57 2.43 -1.00 -1.36 114.38 115.78 2c3u h ARG 1159Ca 0.09 -0.01 0.05 0.00 -0.81 0.00 0.00 59.98 59.30 2c3u h ARG 1159Cb 0.32 -0.02 -0.05 0.00 -0.42 0.00 0.00 29.97 29.80 2c3u h ARG 1159CO 0.00 0.07 0.38 0.35 -1.51 0.00 0.00 179.97 179.26 2c3u h PHE 1160N 0.11 0.70 -0.73 2.20 3.57 -1.24 0.10 116.94 121.65 2c3u h PHE 1160Ca 0.09 0.02 0.01 0.00 3.53 0.00 0.00 57.97 61.62 2c3u h PHE 1160Cb 0.10 -0.22 -0.04 0.00 2.79 0.00 0.00 35.95 38.58 2c3u h PHE 1160CO -0.15 0.36 0.48 0.87 -2.23 0.00 0.00 178.31 177.64 2c3u h LYS 1161N 0.72 0.96 -0.33 1.11 1.57 -1.05 0.70 116.57 120.25 2c3u h LYS 1161Ca 0.28 -0.06 -0.14 0.00 -1.87 0.00 0.00 60.65 58.87 2c3u h LYS 1161Cb 0.11 -0.22 -0.01 0.00 0.08 0.00 0.00 32.23 32.20 2c3u h LYS 1161CO -0.15 0.63 -0.35 0.93 -0.57 0.00 0.00 179.45 179.95 2c3u h GLU 1162N 0.99 0.74 -0.56 3.15 5.08 -0.06 -1.16 114.58 122.75 2c3u h GLU 1162Ca 0.27 -0.36 -0.11 0.00 -1.00 0.00 0.00 59.36 58.16 2c3u h GLU 1162Cb -0.11 -0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.12 2c3u h GLU 1162CO -0.06 0.97 -0.09 -0.07 -1.00 0.00 0.00 179.01 178.76 2c3u h LEU 1163N 0.62 1.05 -0.84 1.33 3.38 -0.07 -1.44 115.31 119.33 2c3u h LEU 1163Ca 0.06 -0.34 -0.01 0.00 0.09 0.00 0.00 57.88 57.68 2c3u h LEU 1163Cb 0.88 -0.29 -0.04 0.00 0.09 0.00 0.00 40.66 41.30 2c3u h LEU 1163CO 0.08 1.15 0.50 -0.33 0.09 0.00 0.00 178.44 179.92 2c3u h GLU 1164N 0.94 1.15 -0.65 1.13 5.08 -0.62 -1.40 114.58 120.20 2c3u h GLU 1164Ca 0.15 -0.11 -0.08 0.00 -1.00 0.00 0.00 59.36 58.32 2c3u h GLU 1164Cb 0.67 -0.24 -0.03 0.00 0.50 0.00 0.00 28.75 29.66 2c3u h GLU 1164CO 0.05 0.82 0.10 1.25 -1.00 0.00 0.00 179.01 180.22 2c3u h HIS 1165N 1.16 1.14 -0.37 4.33 2.76 -0.89 -2.39 115.15 120.89 2c3u h HIS 1165Ca 0.30 -0.16 -0.01 0.00 -2.20 0.00 0.00 60.37 58.30 2c3u h HIS 1165Cb -0.03 -0.31 -0.02 0.00 1.55 0.00 0.00 27.41 28.60 2c3u h HIS 1165CO -0.00 0.96 0.18 0.52 -1.30 0.00 0.00 177.93 178.29 2c3u h MET 1166N 1.01 0.50 0.00 5.26 2.86 -0.61 -1.11 114.93 122.84 2c3u h MET 1166Ca 0.20 -0.05 -0.06 0.00 -2.06 0.00 0.00 59.70 57.73 2c3u h MET 1166Cb 0.44 -0.10 -0.01 0.00 0.06 0.00 0.00 31.60 31.99 2c3u h MET 1166CO 0.01 0.39 -0.27 0.00 1.06 0.00 0.00 176.91 178.11 2c3u h ALA 1167N 1.69 0.94 -0.01 6.32 0.00 -0.80 -3.24 119.26 124.17 2c3u h ALA 1167Ca 0.13 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.80 2c3u h ALA 1167Cb 0.05 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.80 2c3u h ALA 1167CO -0.02 0.34 -0.46 0.00 0.00 0.00 0.00 179.25 179.11 2c3u n ALA 1168N -2.22 3.50 -1.50 0.00 0.00 -0.72 -4.99 120.51 114.59 2c3u n ALA 1168Ca 0.01 -0.59 -0.33 0.00 0.00 0.00 0.00 53.44 52.53 2c3u n ALA 1168Cb 0.50 -0.69 0.05 0.00 0.00 0.00 0.00 19.45 19.31 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 -2.27 3.39 -0.15 0.00 -1.32 -0.50 -4.93 115.64 109.86 2c3u s THR 1169Ca 0.15 0.60 0.15 0.00 -1.21 0.00 0.00 61.69 61.39 2c3u s THR 1169Cb 0.16 -3.13 0.33 0.00 -1.51 0.00 0.00 72.50 68.34 2c3u s THR 1169CO 0.52 -0.44 1.17 -0.46 -2.21 0.00 0.00 174.62 173.20 2c3u n ASN 1170N -2.58 1.90 -4.09 8.08 0.23 -1.26 -4.90 115.26 112.64 2c3u n ASN 1170Ca 0.10 -3.29 -0.36 0.00 -0.53 0.00 0.00 54.58 50.50 2c3u n ASN 1170Cb 0.52 -0.45 -0.11 0.00 -2.08 0.00 0.00 39.78 37.66 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 -2.72 3.35 -0.03 1.53 1.09 -1.26 -5.07 121.20 118.09 2c3u s ILE 1171Ca 0.32 -2.50 -0.03 0.00 -1.10 0.00 0.00 60.65 57.34 2c3u s ILE 1171Cb 0.30 -3.26 0.01 0.00 -1.06 0.00 0.00 42.46 38.45 2c3u s ILE 1171CO -0.02 -0.77 0.08 0.72 -0.10 0.00 0.00 174.94 174.86 2c3u s PHE 1172N 0.57 -0.05 0.56 3.97 -0.71 -1.26 -5.11 117.98 115.94 2c3u s PHE 1172Ca 0.12 0.14 -0.21 0.00 -1.04 0.00 0.00 56.93 55.94 2c3u s PHE 1172Cb -0.22 0.01 -0.04 0.00 -1.21 0.00 0.00 43.02 41.55 2c3u s PHE 1172CO -0.04 -0.08 1.34 -1.21 -1.34 0.00 0.00 175.22 173.89 2c3u s GLU 1173N -0.22 3.08 0.00 1.99 2.02 -1.26 -5.03 118.70 119.28 2c3u s GLU 1173Ca -0.03 2.18 0.00 0.00 0.02 0.00 0.00 54.97 57.14 2c3u s GLU 1173Cb -0.02 -2.20 0.00 0.00 0.10 0.00 0.00 34.13 32.01 2c3u s GLU 1173CO 0.00 -1.22 0.00 0.45 0.02 0.00 0.00 175.26 174.52 2c3u n SER 1174N -1.14 0.00 -3.15 -0.19 2.88 -1.26 -4.81 113.62 105.95 2c3u n SER 1174Ca 0.11 0.00 0.06 0.00 -1.33 0.00 0.00 58.87 57.71 2c3u n SER 1174Cb 0.46 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 63.90 2c3u n SER 1174CO 0.00 0.00 0.00 0.12 -1.23 0.00 0.00 175.04 173.93 2c3u s PHE 1175N 0.00 -0.15 -0.32 0.66 5.36 -1.26 -4.70 117.98 117.57 2c3u s PHE 1175Ca 0.00 0.15 -0.08 0.00 -0.96 0.00 0.00 56.93 56.05 2c3u s PHE 1175Cb 0.00 0.05 0.02 0.00 -0.34 0.00 0.00 43.02 42.75 2c3u s PHE 1175CO 0.00 -0.08 0.12 0.00 -1.46 0.00 0.00 175.22 173.80 2c3u s ALA 1176N 2.99 3.13 0.54 11.12 0.00 -1.26 -4.79 121.76 133.49 2c3u s ALA 1176Ca -0.09 -1.54 0.23 0.00 0.00 0.00 0.00 51.96 50.56 2c3u s ALA 1176Cb -0.09 -2.28 1.53 0.00 0.00 0.00 0.00 23.12 22.28 2c3u s ALA 1176CO -0.07 -1.07 2.19 -1.35 0.00 0.00 0.00 175.76 175.45 2c3u h PRO 1177N 8.28 0.00 0.00 0.00 0.11 -2.00 -3.48 132.00 134.91 2c3u h PRO 1177Ca -0.29 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.82 2c3u h PRO 1177Cb 1.12 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.23 2c3u h PRO 1177CO 0.62 0.02 0.00 0.00 -0.21 0.00 0.00 178.00 178.43 2c3u n ALA 1178N -2.42 0.00 0.00 -0.75 0.00 -1.26 -5.05 120.51 111.03 2c3u n ALA 1178Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.41 2c3u n ALA 1178Cb 0.11 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.56 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 1.41 0.00 0.00 0.00 -1.26 -5.12 105.19 100.22 2c3u n GLY 1179Ca 0.00 -1.13 0.00 0.00 0.00 0.00 0.00 46.02 44.89 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 2.63 0.53 4.02 -0.02 0.00 -1.26 -5.06 105.19 106.03 2c3u n GLY 1180Ca 0.00 -0.51 0.00 0.00 0.00 0.00 0.00 46.02 45.51 2c3u n GLY 1180CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2c3u n LYS 1181N 0.00 0.00 -1.33 1.61 -0.00 -1.26 -4.86 118.16 112.32 2c3u n LYS 1181Ca 0.00 0.00 0.18 0.00 -0.00 0.00 0.00 58.31 58.49 2c3u n LYS 1181Cb 0.00 0.00 -0.05 0.00 -0.00 0.00 0.00 35.03 34.98 2c3u n LYS 1181CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2c3u n ALA 1182N 0.63 -3.45 -1.74 0.58 0.00 -1.26 -4.74 120.51 110.54 2c3u n ALA 1182Ca 0.00 0.47 -0.42 0.00 0.00 0.00 0.00 53.44 53.49 2c3u n ALA 1182Cb 0.00 -1.22 -0.02 0.00 0.00 0.00 0.00 19.45 18.21 2c3u n ALA 1182CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2c3u n ASP 1183N -4.03 3.73 0.00 0.00 9.92 -1.26 -4.87 116.55 120.04 2c3u n ASP 1183Ca -0.00 1.14 0.00 0.00 -0.53 0.00 0.00 54.79 55.40 2c3u n ASP 1183Cb 0.61 -1.57 0.00 0.00 -0.64 0.00 0.00 41.12 39.52 2c3u n ASP 1183CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2c3u n GLY 1184N 2.20 4.04 3.46 0.44 0.00 -1.26 -5.15 105.19 108.91 2c3u n GLY 1184Ca 0.09 -1.37 -0.16 0.00 0.00 0.00 0.00 46.02 44.58 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 -0.56 0.02 1.61 1.04 -1.26 -5.10 113.70 109.45 2c3u s SER 1185Ca 0.00 0.78 0.03 0.00 0.48 0.00 0.00 55.95 57.24 2c3u s SER 1185Cb 0.00 0.75 -0.02 0.00 0.10 0.00 0.00 66.02 66.85 2c3u s SER 1185CO 0.00 -0.43 -0.10 0.54 0.98 0.00 0.00 173.24 174.23 2c3u s VAL 1186N -0.67 0.74 0.19 5.02 0.11 -1.26 -5.13 120.40 119.40 2c3u s VAL 1186Ca -0.08 -0.73 -0.30 0.00 -2.93 0.00 0.00 61.98 57.94 2c3u s VAL 1186Cb -0.03 -0.69 -0.08 0.00 -1.53 0.00 0.00 36.38 34.06 2c3u s VAL 1186CO 0.06 -0.03 0.99 -0.62 -3.33 0.00 0.00 175.10 172.16 2c3u s ASP 1187N -0.85 7.50 0.04 3.54 -1.08 -1.26 -4.91 116.67 119.65 2c3u s ASP 1187Ca -0.01 1.95 0.04 0.00 -0.52 0.00 0.00 52.55 54.01 2c3u s ASP 1187Cb -0.06 -2.60 0.20 0.00 -1.46 0.00 0.00 42.92 38.99 2c3u s ASP 1187CO 0.00 -0.01 1.12 2.22 0.52 0.00 0.00 175.17 179.02 2c3u n PHE 1188N 2.07 0.10 0.11 -5.34 1.16 -1.26 -1.77 117.46 112.54 2c3u n PHE 1188Ca 0.00 0.05 0.11 0.00 -1.87 0.00 0.00 57.45 55.75 2c3u n PHE 1188Cb 0.47 -0.58 -0.05 0.00 -1.61 0.00 0.00 39.48 37.71 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 -1.37 -1.31 3.66 4.97 0.00 -1.26 -4.89 105.19 104.99 2c3u n GLY 1189Ca 0.00 -0.33 -0.50 0.00 0.00 0.00 0.00 46.02 45.19 2c3u n GLY 1189CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2c3u n GLU 1190N -2.49 1.73 -1.36 1.61 1.02 -0.73 -2.35 120.64 118.07 2c3u n GLU 1190Ca -0.01 0.63 -0.12 0.00 -0.02 0.00 0.00 57.16 57.64 2c3u n GLU 1190Cb 0.55 -2.37 -0.05 0.00 -0.02 0.00 0.00 31.44 29.54 2c3u n GLU 1190CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2c3u n GLY 1191N 3.62 1.27 3.76 0.62 0.00 -1.26 -4.99 105.19 108.20 2c3u n GLY 1191Ca 0.21 -0.23 -0.40 0.00 0.00 0.00 0.00 46.02 45.59 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 -2.31 3.37 0.34 4.61 0.00 -0.99 -4.96 121.76 121.82 2c3u s ALA 1192Ca 0.00 0.78 0.13 0.00 0.00 0.00 0.00 51.96 52.87 2c3u s ALA 1192Cb 0.00 -3.28 0.68 0.00 0.00 0.00 0.00 23.12 20.53 2c3u s ALA 1192CO 0.00 -0.00 1.79 0.93 0.00 0.00 0.00 175.76 178.48 2c3u h GLU 1193N 3.93 0.00 -5.86 0.00 3.07 -1.94 -3.45 114.58 110.34 2c3u h GLU 1193Ca -0.46 0.00 -0.51 0.00 -0.50 0.00 0.00 59.36 57.89 2c3u h GLU 1193Cb 1.21 0.00 -0.17 0.00 -0.84 0.00 0.00 28.75 28.95 2c3u h GLU 1193CO 0.67 0.41 -0.77 -0.06 -1.40 0.00 0.00 179.01 177.86 2c3u s PHE 1194N -4.03 1.82 0.20 4.33 0.40 -1.26 -4.35 117.98 115.09 2c3u s PHE 1194Ca -0.02 -0.49 -0.31 0.00 -0.60 0.00 0.00 56.93 55.51 2c3u s PHE 1194Cb 0.14 -0.88 -0.16 0.00 0.51 0.00 0.00 43.02 42.63 2c3u s PHE 1194CO 0.72 0.36 1.01 0.00 0.70 0.00 0.00 175.22 178.02 2c3u n THR 1196N 0.88 0.00 -4.24 0.00 -1.04 -1.26 -4.96 114.28 103.66 2c3u n THR 1196Ca 0.14 -0.26 -0.16 0.00 -2.04 0.00 0.00 64.05 61.73 2c3u n THR 1196Cb 0.26 1.06 -0.11 0.00 -1.82 0.00 0.00 70.33 69.72 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 -1.99 1.04 0.23 -2.82 0.52 -1.26 -5.03 118.95 109.64 2c3u s ARG 1197Ca 0.07 -1.33 -0.01 0.00 -0.52 0.00 0.00 55.73 53.94 2c3u s ARG 1197Cb 0.10 -0.77 0.05 0.00 0.52 0.00 0.00 34.95 34.85 2c3u s ARG 1197CO 0.45 0.12 0.32 -0.40 0.02 0.00 0.00 175.30 175.81 2c3u n ASP 1198N 0.19 0.36 -2.15 0.23 3.85 -1.26 -4.99 116.55 112.78 2c3u n ASP 1198Ca -0.13 -1.32 -0.24 0.00 -0.71 0.00 0.00 54.79 52.39 2c3u n ASP 1198Cb 0.59 -0.21 0.14 0.00 -1.35 0.00 0.00 41.12 40.29 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 -3.01 4.61 -4.95 -1.12 8.00 -1.26 -4.87 116.55 113.96 2c3u n ASP 1199Ca 0.05 -3.51 -0.24 0.00 0.71 0.00 0.00 54.79 51.80 2c3u n ASP 1199Cb 0.18 -0.85 -0.03 0.00 -0.02 0.00 0.00 41.12 40.40 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 -3.33 5.27 0.12 -3.53 2.01 -1.26 -5.00 115.64 109.92 2c3u s THR 1200Ca 0.53 -0.73 0.23 0.00 0.31 0.00 0.00 61.69 62.03 2c3u s THR 1200Cb 0.44 -3.79 0.21 0.00 0.01 0.00 0.00 72.50 69.37 2c3u s THR 1200CO 0.07 -0.23 1.79 -0.65 -0.69 0.00 0.00 174.62 174.92 2c3u h PRO 1201N 1.66 0.00 -0.38 4.92 0.11 -1.97 -3.11 132.00 133.23 2c3u h PRO 1201Ca -0.50 0.00 -0.10 0.00 0.11 0.00 0.00 66.00 65.52 2c3u h PRO 1201Cb 1.21 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.30 2c3u h PRO 1201CO 0.65 0.26 -0.16 0.52 -0.21 0.00 0.00 178.00 179.06 2c3u h MET 1202N 0.00 0.70 -0.01 1.05 2.86 -1.98 -2.96 114.93 114.60 2c3u h MET 1202Ca -0.00 -0.25 0.00 0.00 -2.06 0.00 0.00 59.70 57.39 2c3u h MET 1202Cb 0.80 -0.05 0.00 0.00 0.06 0.00 0.00 31.60 32.41 2c3u h MET 1202CO 0.03 0.83 -0.29 -1.33 1.06 0.00 0.00 176.91 177.21 2c3u n MET 1203N -4.15 0.99 -1.93 1.72 2.81 -1.19 -4.93 117.12 110.44 2c3u n MET 1203Ca 0.01 -0.66 -0.41 0.00 -1.81 0.00 0.00 57.70 54.83 2c3u n MET 1203Cb 0.38 -1.49 -0.02 0.00 -0.71 0.00 0.00 33.22 31.39 2c3u n MET 1203CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 2c3u s ALA 1204N -2.46 3.63 0.10 3.04 0.00 -1.12 -4.95 121.76 120.00 2c3u s ALA 1204Ca 0.24 1.42 -0.00 0.00 0.00 0.00 0.00 51.96 53.62 2c3u s ALA 1204Cb 0.19 -3.58 -0.04 0.00 0.00 0.00 0.00 23.12 19.69 2c3u s ALA 1204CO 0.52 -0.85 0.00 1.03 0.00 0.00 0.00 175.76 176.47 2c3u s ARG 1205N -0.96 0.83 0.28 0.00 1.81 -1.26 -5.03 118.95 114.63 2c3u s ARG 1205Ca 0.57 -1.36 0.02 0.00 -1.72 0.00 0.00 55.73 53.24 2c3u s ARG 1205Cb -0.44 0.10 0.66 0.00 -0.45 0.00 0.00 34.95 34.82 2c3u s ARG 1205CO 0.50 -0.16 1.73 -1.35 -0.68 0.00 0.00 175.30 175.34 2c3u h PRO 1206N 2.95 0.52 -0.60 3.54 0.11 -2.03 -1.69 132.00 134.79 2c3u h PRO 1206Ca -0.35 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.73 2c3u h PRO 1206Cb 1.17 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 32.17 2c3u h PRO 1206CO 0.63 0.35 0.00 -0.25 -0.21 0.00 0.00 178.00 178.51 2c3u n ASP 1207N -4.94 3.53 -4.97 -2.05 8.00 -1.26 -4.94 116.55 109.93 2c3u n ASP 1207Ca 0.20 -2.22 -0.21 0.00 0.71 0.00 0.00 54.79 53.28 2c3u n ASP 1207Cb 0.56 -0.46 0.03 0.00 -0.02 0.00 0.00 41.12 41.23 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 -0.88 5.41 0.00 -2.24 1.04 -0.64 -4.74 113.70 111.66 2c3u s SER 1208Ca 0.39 0.04 0.00 0.00 0.48 0.00 0.00 55.95 56.86 2c3u s SER 1208Cb 0.24 -1.01 0.00 0.00 0.10 0.00 0.00 66.02 65.35 2c3u s SER 1208CO 0.22 -1.03 0.00 0.61 0.98 0.00 0.00 173.24 174.02 2c3u n GLY 1209N -2.27 0.75 3.81 7.32 0.00 -1.26 -4.87 105.19 108.68 2c3u n GLY 1209Ca 0.06 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.74 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 0.00 4.32 0.49 1.61 2.12 -1.26 -5.04 118.70 120.94 2c3u s GLU 1210Ca 0.00 1.11 -0.23 0.00 0.36 0.00 0.00 54.97 56.22 2c3u s GLU 1210Cb 0.00 -2.46 -0.07 0.00 0.26 0.00 0.00 34.13 31.86 2c3u s GLU 1210CO 0.00 0.12 1.25 0.00 -0.54 0.00 0.00 175.26 176.09 2c3u s ALA 1211N -1.92 2.94 0.16 6.30 0.00 -1.26 -5.04 121.76 122.94 2c3u s ALA 1211Ca 0.56 1.10 -0.24 0.00 0.00 0.00 0.00 51.96 53.38 2c3u s ALA 1211Cb -0.13 -3.46 0.06 0.00 0.00 0.00 0.00 23.12 19.59 2c3u s ALA 1211CO 0.18 -0.93 0.85 0.00 0.00 0.00 0.00 175.76 175.86 2c3u s ASP 1213N -2.84 6.63 -0.02 0.00 -1.08 -1.26 -4.74 116.67 113.36 2c3u s ASP 1213Ca 0.10 0.46 0.03 0.00 -0.52 0.00 0.00 52.55 52.61 2c3u s ASP 1213Cb -0.02 -2.55 0.11 0.00 -1.46 0.00 0.00 42.92 39.00 2c3u s ASP 1213CO 0.00 -1.24 0.85 1.67 0.52 0.00 0.00 175.17 176.96 2c3u n GLN 1214N 7.80 1.44 -2.23 4.34 7.27 -1.26 -0.15 117.38 134.58 2c3u n GLN 1214Ca 0.12 -0.43 -0.17 0.00 0.07 0.00 0.00 57.00 56.59 2c3u n GLN 1214Cb 0.49 -1.39 -0.02 0.00 2.41 0.00 0.00 30.24 31.73 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 -0.02 -5.08 -0.89 1.69 4.13 -1.26 -4.89 115.26 108.94 2c3u n ASN 1215Ca 0.04 0.03 0.09 0.00 1.68 0.00 0.00 54.58 56.43 2c3u n ASN 1215Cb 0.27 -4.16 0.16 0.00 -1.54 0.00 0.00 39.78 34.50 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 -2.64 2.12 0.00 3.52 1.74 -1.26 -4.29 116.66 115.85 2c3u n ARG 1216Ca -0.20 -1.97 0.02 0.00 -0.77 0.00 0.00 57.85 54.93 2c3u n ARG 1216Cb 0.65 -1.40 0.02 0.00 -1.02 0.00 0.00 32.46 30.70 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 1.12 2.49 0.00 7.54 0.00 -1.26 -5.12 120.51 125.28 2c3u n ALA 1217Ca 0.15 -0.54 0.00 0.00 0.00 0.00 0.00 53.44 53.05 2c3u n ALA 1217Cb 0.50 -0.15 0.00 0.00 0.00 0.00 0.00 19.45 19.80 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 0.26 -3.48 3.41 0.00 0.00 -1.26 -4.55 105.19 99.57 2c3u n GLY 1218Ca 0.03 -1.97 -0.29 0.00 0.00 0.00 0.00 46.02 43.79 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 -0.19 0.00 -0.07 2.61 -1.04 -1.26 -4.69 114.28 109.64 2c3u n THR 1219Ca 0.00 -0.45 -0.13 0.00 -2.04 0.00 0.00 64.05 61.43 2c3u n THR 1219Cb 0.00 -0.94 -0.06 0.00 -1.82 0.00 0.00 70.33 67.52 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 -2.73 0.51 -0.50 8.00 0.02 -1.98 0.34 113.55 117.21 2c3u h SER 1220Ca -0.61 -0.45 -0.13 0.00 -0.84 0.00 0.00 61.79 59.76 2c3u h SER 1220Cb 1.34 -0.14 -0.01 0.00 0.14 0.00 0.00 62.40 63.72 2c3u h SER 1220CO 0.47 0.85 -0.17 1.05 -1.14 0.00 0.00 176.83 177.89 2c3u h GLU 1221N 0.18 1.01 -0.34 3.45 9.09 -1.97 0.35 114.58 126.34 2c3u h GLU 1221Ca 0.04 -0.41 -0.00 0.00 0.05 0.00 0.00 59.36 59.04 2c3u h GLU 1221Cb 0.68 -0.05 -0.02 0.00 -1.65 0.00 0.00 28.75 27.72 2c3u h GLU 1221CO 0.04 1.09 0.20 1.96 0.05 0.00 0.00 179.01 182.35 2c3u h GLN 1222N 0.88 0.46 -0.50 1.06 4.20 -1.89 0.91 115.11 120.23 2c3u h GLN 1222Ca 0.12 -0.04 -0.03 0.00 0.06 0.00 0.00 58.65 58.76 2c3u h GLN 1222Cb 0.75 -0.10 -0.02 0.00 0.30 0.00 0.00 27.48 28.41 2c3u h GLN 1222CO 0.06 0.36 0.19 1.96 -0.67 0.00 0.00 178.83 180.72 2c3u h GLN 1223N 0.44 0.75 -0.35 1.46 4.20 -0.78 -0.11 115.11 120.71 2c3u h GLN 1223Ca 0.12 -0.14 0.03 0.00 0.06 0.00 0.00 58.65 58.72 2c3u h GLN 1223Cb 0.02 -0.12 -0.03 0.00 0.30 0.00 0.00 27.48 27.65 2c3u h GLN 1223CO -0.02 0.68 0.17 0.78 -0.67 0.00 0.00 178.83 179.76 2c3u h GLY 1224N 0.67 0.47 1.64 3.46 0.00 0.65 -0.99 103.07 108.96 2c3u h GLY 1224Ca 0.16 -0.11 -0.13 0.00 0.00 0.00 0.00 47.33 47.26 2c3u h GLY 1224CO -0.01 0.08 -0.44 -1.80 0.00 0.00 0.00 176.54 174.37 2c3u h ASP 1225N 0.34 0.42 -0.63 0.19 3.58 0.10 -2.44 116.42 118.00 2c3u h ASP 1225Ca 0.15 -0.19 -0.03 0.00 0.42 0.00 0.00 57.03 57.38 2c3u h ASP 1225Cb 0.08 -0.12 -0.03 0.00 1.72 0.00 0.00 39.33 40.98 2c3u h ASP 1225CO -0.12 0.81 0.28 0.25 -2.88 0.00 0.00 179.24 177.58 2c3u h LEU 1226N 0.33 0.84 0.13 2.28 5.85 -0.60 -0.94 115.31 123.20 2c3u h LEU 1226Ca 0.02 -0.15 0.02 0.00 0.84 0.00 0.00 57.88 58.61 2c3u h LEU 1226Cb 0.90 -0.22 -0.04 0.00 0.37 0.00 0.00 40.66 41.68 2c3u h LEU 1226CO 0.08 0.76 -0.29 -1.28 -0.34 0.00 0.00 178.44 177.36 2c3u h SER 1227N 0.87 -0.83 -0.82 1.25 0.87 -0.98 -1.26 113.55 112.64 2c3u h SER 1227Ca 0.21 0.10 0.14 0.00 -1.23 0.00 0.00 61.79 61.01 2c3u h SER 1227Cb 0.16 0.32 -0.09 0.00 -0.44 0.00 0.00 62.40 62.34 2c3u h SER 1227CO -0.02 -0.38 0.41 0.50 -0.53 0.00 0.00 176.83 176.80 2c3u h LYS 1228N -0.52 0.57 0.00 2.24 3.64 -1.13 0.73 116.57 122.11 2c3u h LYS 1228Ca 0.03 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.37 2c3u h LYS 1228Cb 0.54 -0.13 0.00 0.00 -0.41 0.00 0.00 32.23 32.23 2c3u h LYS 1228CO -0.17 0.38 0.00 0.00 -2.27 0.00 0.00 179.45 177.39 2c3u h ARG 1229N 0.59 0.00 -0.00 1.90 3.08 -0.59 -3.28 114.38 116.07 2c3u h ARG 1229Ca 0.45 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.50 2c3u h ARG 1229Cb 0.64 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.69 2c3u h ARG 1229CO -0.37 0.00 -0.12 0.25 -1.07 0.00 0.00 179.97 178.66 2c3u n THR 1230N -2.74 0.00 0.00 2.04 -2.24 -0.53 -4.96 114.28 105.85 2c3u n THR 1230Ca 0.03 -0.44 0.00 0.00 -2.27 0.00 0.00 64.05 61.37 2c3u n THR 1230Cb 0.38 1.00 0.00 0.00 -2.10 0.00 0.00 70.33 69.62 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 -1.00 0.00 -0.99 -0.78 2.85 0.25 -5.06 118.16 113.42 2c3u n LYS 1231Ca 0.01 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.27 2c3u n LYS 1231Cb 0.04 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.42 2c3u n LYS 1231CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 177.40 178.98