#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2c3y s LYS 3 N 0.00 2.86 -0.27 1.61 1.02 -1.26 -1.38 119.74 122.32 2c3y s LYS 3 Ca 0.00 -1.22 -0.19 0.00 0.02 0.00 0.00 55.97 54.58 2c3y s LYS 3 Cb 0.00 -2.73 0.08 0.00 -0.52 0.00 0.00 37.83 34.66 2c3y s LYS 3 CO 0.00 -0.17 0.69 0.21 -0.92 0.00 0.00 175.35 175.16 2c3y s LYS 4 N -4.28 0.75 0.40 1.68 2.20 -0.69 -4.91 119.74 114.89 2c3y s LYS 4 Ca 0.52 1.12 -0.23 0.00 -0.36 0.00 0.00 55.97 57.02 2c3y s LYS 4 Cb -0.09 0.24 -0.10 0.00 -1.51 0.00 0.00 37.83 36.36 2c3y s LYS 4 CO 0.32 -0.13 0.96 -1.64 -0.36 0.00 0.00 175.35 174.50 2c3y s MET 5 N 1.14 4.30 -0.28 4.03 -1.94 -1.26 -1.04 119.30 124.26 2c3y s MET 5 Ca -0.06 1.22 -0.22 0.00 -1.71 0.00 0.00 55.69 54.92 2c3y s MET 5 Cb -0.05 -2.37 0.12 0.00 2.01 0.00 0.00 34.83 34.54 2c3y s MET 5 CO -0.12 0.03 0.96 1.41 -0.01 0.00 0.00 175.02 177.29 2c3y s MET 6 N -2.82 0.52 -0.39 2.03 0.00 0.50 -4.92 119.30 114.22 2c3y s MET 6 Ca 0.59 0.71 -0.10 0.00 0.00 0.00 0.00 55.69 56.88 2c3y s MET 6 Cb -0.13 0.21 0.05 0.00 0.00 0.00 0.00 34.83 34.96 2c3y s MET 6 CO 0.17 -0.08 0.23 0.95 0.00 0.00 0.00 175.02 176.29 2c3y s THR 7 N 0.65 4.43 0.36 10.11 -4.23 -1.26 0.38 115.64 126.08 2c3y s THR 7 Ca -0.01 -1.08 -0.04 0.00 -1.18 0.00 0.00 61.69 59.37 2c3y s THR 7 Cb -0.05 -3.57 0.01 0.00 1.34 0.00 0.00 72.50 70.24 2c3y s THR 7 CO -0.09 -0.35 0.52 0.42 -0.54 0.00 0.00 174.62 174.58 2c3y s THR 8 N 1.50 0.00 0.45 3.99 -4.23 -0.83 -4.91 115.64 111.61 2c3y s THR 8 Ca 0.02 -1.52 0.08 0.00 -1.18 0.00 0.00 61.69 59.09 2c3y s THR 8 Cb -0.21 -2.69 0.02 0.00 1.34 0.00 0.00 72.50 70.96 2c3y s THR 8 CO 0.05 0.00 0.58 1.51 -0.54 0.00 0.00 174.62 176.21 2c3y s ASP 9 N -3.22 5.43 0.28 3.99 3.84 -1.26 -1.48 116.67 124.25 2c3y s ASP 9 Ca 0.29 -0.57 0.00 0.00 -0.00 0.00 0.00 52.55 52.27 2c3y s ASP 9 Cb -0.01 -0.44 0.53 0.00 -1.38 0.00 0.00 42.92 41.63 2c3y s ASP 9 CO 0.20 -0.86 1.82 1.23 -0.00 0.00 0.00 175.17 177.56 2c3y h GLY 10 N 0.62 1.57 0.94 2.12 0.00 -1.27 -0.56 103.07 106.49 2c3y h GLY 10 Ca -0.38 -0.39 0.00 0.00 0.00 0.00 0.00 47.33 46.56 2c3y h GLY 10 CO 0.46 0.13 -0.06 3.43 0.00 0.00 0.00 176.54 180.51 2c3y h ASN 11 N 0.92 -0.15 0.02 0.19 -0.26 -1.61 -1.80 115.58 112.90 2c3y h ASN 11 Ca 0.48 0.01 -0.11 0.00 -0.56 0.00 0.00 56.30 56.13 2c3y h ASN 11 Cb 0.50 0.05 -0.01 0.00 -1.06 0.00 0.00 38.32 37.80 2c3y h ASN 11 CO -0.28 -0.09 -0.34 0.00 -1.06 0.00 0.00 177.43 175.67 2c3y h THR 12 N -0.14 1.29 -0.66 2.81 1.03 -1.73 0.26 112.91 115.77 2c3y h THR 12 Ca -0.00 -1.42 -0.03 0.00 -0.01 0.00 0.00 66.41 64.95 2c3y h THR 12 Cb 0.13 1.49 -0.03 0.00 -1.07 0.00 0.00 68.15 68.67 2c3y h THR 12 CO -0.01 0.44 0.27 0.00 -0.01 0.00 0.00 175.52 176.22 2c3y h ALA 13 N 1.26 1.24 0.15 0.00 0.00 -0.94 0.20 119.26 121.18 2c3y h ALA 13 Ca 0.04 -0.16 -0.26 0.00 0.00 0.00 0.00 54.91 54.53 2c3y h ALA 13 Cb 0.77 -0.26 0.03 0.00 0.00 0.00 0.00 17.79 18.33 2c3y h ALA 13 CO 0.06 0.56 -1.12 1.79 0.00 0.00 0.00 179.25 180.54 2c3y h THR 14 N 0.95 1.36 -0.85 0.00 1.35 -1.05 -3.28 112.91 111.39 2c3y h THR 14 Ca 0.22 -2.50 0.04 0.00 -0.55 0.00 0.00 66.41 63.62 2c3y h THR 14 Cb 0.17 2.91 -0.05 0.00 -1.73 0.00 0.00 68.15 69.45 2c3y h THR 14 CO -0.02 0.74 0.54 0.00 -0.25 0.00 0.00 175.52 176.53 2c3y h ALA 15 N 0.20 1.13 -0.82 6.62 0.00 -0.76 0.18 119.26 125.81 2c3y h ALA 15 Ca -0.18 -0.03 0.18 0.00 0.00 0.00 0.00 54.91 54.88 2c3y h ALA 15 Cb 1.85 -0.28 -0.11 0.00 0.00 0.00 0.00 17.79 19.24 2c3y h ALA 15 CO 0.21 0.37 0.31 1.25 0.00 0.00 0.00 179.25 181.39 2c3y h HIS 16 N 1.05 0.52 0.09 0.00 6.17 -1.02 0.41 115.15 122.38 2c3y h HIS 16 Ca 0.34 0.04 -0.13 0.00 0.71 0.00 0.00 60.37 61.33 2c3y h HIS 16 Cb 0.03 -0.10 0.01 0.00 2.52 0.00 0.00 27.41 29.87 2c3y h HIS 16 CO -0.02 -0.01 -0.57 0.28 0.71 0.00 0.00 177.93 178.32 2c3y h VAL 17 N 0.39 1.58 -0.81 5.26 2.07 -1.31 -3.22 116.25 120.21 2c3y h VAL 17 Ca 0.48 -2.43 0.11 0.00 0.82 0.00 0.00 66.70 65.68 2c3y h VAL 17 Cb 0.83 3.19 -0.08 0.00 -1.52 0.00 0.00 31.29 33.71 2c3y h VAL 17 CO -0.48 0.67 0.44 0.00 0.02 0.00 0.00 177.57 178.22 2c3y h ALA 18 N 0.09 1.17 -0.04 1.67 0.00 -0.18 -1.79 119.26 120.18 2c3y h ALA 18 Ca -0.10 0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.87 2c3y h ALA 18 Cb 1.43 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 19.14 2c3y h ALA 18 CO 0.11 0.01 0.02 -0.92 0.00 0.00 0.00 179.25 178.47 2c3y h TYR 19 N 0.70 0.06 -0.57 0.00 3.20 -1.05 -2.28 116.97 117.02 2c3y h TYR 19 Ca 0.41 -0.00 0.05 0.00 3.14 0.00 0.00 58.73 62.32 2c3y h TYR 19 Cb 0.45 -0.02 -0.05 0.00 1.54 0.00 0.00 36.73 38.66 2c3y h TYR 19 CO -0.08 0.11 0.31 0.00 -1.64 0.00 0.00 178.16 176.86 2c3y h ALA 20 N 0.94 0.75 -0.01 1.82 0.00 -1.44 -3.07 119.26 118.25 2c3y h ALA 20 Ca 0.01 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.94 2c3y h ALA 20 Cb 0.07 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.76 2c3y h ALA 20 CO -0.00 -0.02 -0.02 -1.33 0.00 0.00 0.00 179.25 177.88 2c3y n MET 21 N -4.83 1.36 -4.41 0.00 2.81 -0.72 -0.96 117.12 110.37 2c3y n MET 21 Ca 0.06 -0.60 -0.27 0.00 -1.81 0.00 0.00 57.70 55.08 2c3y n MET 21 Cb 0.14 -1.49 -0.11 0.00 -0.71 0.00 0.00 33.22 31.05 2c3y n MET 21 CO 0.00 0.00 0.00 -1.12 1.51 0.00 0.00 175.97 176.36 2c3y s SER 22 N -2.05 3.53 -0.12 7.83 0.01 -0.87 -4.86 113.70 117.16 2c3y s SER 22 Ca 0.40 -0.84 0.11 0.00 1.31 0.00 0.00 55.95 56.93 2c3y s SER 22 Cb 0.21 -0.31 -0.15 0.00 0.21 0.00 0.00 66.02 65.99 2c3y s SER 22 CO 0.36 0.12 0.04 -0.62 0.41 0.00 0.00 173.24 173.55 2c3y n GLU 23 N 0.23 2.04 -4.16 12.44 1.02 -0.33 -4.83 120.64 127.05 2c3y n GLU 23 Ca -0.12 -0.01 -0.16 0.00 -0.02 0.00 0.00 57.16 56.85 2c3y n GLU 23 Cb 0.56 -1.31 -0.13 0.00 -0.02 0.00 0.00 31.44 30.55 2c3y n GLU 23 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 2c3y s VAL 24 N -2.29 0.70 -0.09 2.62 1.01 -0.72 -1.82 120.40 119.82 2c3y s VAL 24 Ca -0.06 -0.90 -0.03 0.00 0.00 0.00 0.00 61.98 60.98 2c3y s VAL 24 Cb 0.04 -0.69 0.05 0.00 0.00 0.00 0.00 36.38 35.77 2c3y s VAL 24 CO 0.49 -0.17 0.17 0.00 0.00 0.00 0.00 175.10 175.59 2c3y s ALA 25 N -0.98 -0.25 -0.26 5.51 0.00 -0.10 -1.82 121.76 123.87 2c3y s ALA 25 Ca -0.04 0.65 -0.08 0.00 0.00 0.00 0.00 51.96 52.49 2c3y s ALA 25 Cb -0.08 -0.74 -0.03 0.00 0.00 0.00 0.00 23.12 22.27 2c3y s ALA 25 CO 0.01 -0.45 0.10 0.00 0.00 0.00 0.00 175.76 175.41 2c3y s ALA 26 N 1.98 3.26 0.23 0.00 0.00 -1.20 -1.51 121.76 124.52 2c3y s ALA 26 Ca -0.01 -1.12 0.11 0.00 0.00 0.00 0.00 51.96 50.94 2c3y s ALA 26 Cb -0.12 -2.19 -0.05 0.00 0.00 0.00 0.00 23.12 20.77 2c3y s ALA 26 CO -0.06 -0.51 -0.20 0.42 0.00 0.00 0.00 175.76 175.41 2c3y s ILE 27 N 1.65 2.26 -0.24 0.00 1.09 0.89 -4.63 121.20 122.22 2c3y s ILE 27 Ca 0.07 -2.23 -0.17 0.00 -1.10 0.00 0.00 60.65 57.21 2c3y s ILE 27 Cb -0.15 -2.16 0.07 0.00 -1.06 0.00 0.00 42.46 39.15 2c3y s ILE 27 CO 0.06 -0.35 0.61 -0.47 -0.10 0.00 0.00 174.94 174.68 2c3y s TYR 28 N -2.33 -0.80 0.14 3.97 5.04 -1.26 -0.86 117.35 121.25 2c3y s TYR 28 Ca 0.25 1.76 -0.30 0.00 -2.44 0.00 0.00 57.07 56.34 2c3y s TYR 28 Cb -0.05 0.38 -0.07 0.00 0.35 0.00 0.00 41.96 42.57 2c3y s TYR 28 CO 0.12 -0.40 1.07 -1.25 -1.34 0.00 0.00 175.55 173.75 2c3y s PRO 29 N 0.98 4.60 -0.29 4.97 0.04 -1.26 -4.89 135.00 139.15 2c3y s PRO 29 Ca -0.05 1.65 -0.14 0.00 0.04 0.00 0.00 61.00 62.49 2c3y s PRO 29 Cb -0.05 -3.31 0.13 0.00 0.04 0.00 0.00 34.50 31.30 2c3y s PRO 29 CO -0.09 0.07 0.82 -1.50 0.04 0.00 0.00 177.00 176.34 2c3y s ILE 30 N -0.01 -0.33 0.39 0.56 2.07 -1.26 -5.01 121.20 117.62 2c3y s ILE 30 Ca 0.50 0.00 -0.27 0.00 -1.41 0.00 0.00 60.65 59.47 2c3y s ILE 30 Cb -0.28 -1.00 -0.09 0.00 0.13 0.00 0.00 42.46 41.22 2c3y s ILE 30 CO 0.33 0.00 1.34 -0.89 -1.91 0.00 0.00 174.94 173.81 2c3y s THR 31 N 2.00 2.51 -0.30 4.00 2.01 -1.26 -1.06 115.64 123.54 2c3y s THR 31 Ca -0.07 0.47 0.11 0.00 0.31 0.00 0.00 61.69 62.51 2c3y s THR 31 Cb -0.06 -3.29 0.71 0.00 0.01 0.00 0.00 72.50 69.86 2c3y s THR 31 CO -0.18 0.09 1.72 -0.81 -0.69 0.00 0.00 174.62 174.75 2c3y n PRO 32 N 0.31 3.55 0.07 4.92 -0.04 -1.26 -4.89 135.00 137.66 2c3y n PRO 32 Ca 0.03 -3.08 0.12 0.00 -0.04 0.00 0.00 63.50 60.53 2c3y n PRO 32 Cb 0.42 -2.14 0.20 0.00 -0.04 0.00 0.00 33.50 31.95 2c3y n PRO 32 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 2c3y h SER 33 N 2.51 0.00 -1.18 3.54 4.64 -1.40 -3.39 113.55 118.28 2c3y h SER 33 Ca 0.21 -0.16 0.36 0.00 -0.47 0.00 0.00 61.79 61.72 2c3y h SER 33 Cb 2.13 0.00 -0.12 0.00 -0.31 0.00 0.00 62.40 64.11 2c3y h SER 33 CO 0.62 0.08 0.75 0.28 -0.87 0.00 0.00 176.83 177.69 2c3y h SER 34 N 0.00 0.34 -0.91 4.97 0.02 -1.82 -1.33 113.55 114.82 2c3y h SER 34 Ca 0.00 0.12 0.08 0.00 -0.84 0.00 0.00 61.79 61.15 2c3y h SER 34 Cb 0.77 0.08 -0.07 0.00 0.14 0.00 0.00 62.40 63.32 2c3y h SER 34 CO 0.00 -0.08 0.56 0.74 -1.14 0.00 0.00 176.83 176.91 2c3y h THR 35 N 0.22 1.01 -0.26 -2.27 2.02 -1.91 -1.91 112.91 109.80 2c3y h THR 35 Ca 0.72 -0.34 -0.00 0.00 0.77 0.00 0.00 66.41 67.56 2c3y h THR 35 Cb 2.08 -0.07 -0.01 0.00 -1.74 0.00 0.00 68.15 68.41 2c3y h THR 35 CO -0.39 0.18 0.15 0.24 0.37 0.00 0.00 175.52 176.07 2c3y h MET 36 N 0.99 0.36 -0.55 6.66 2.86 -1.52 0.93 114.93 124.65 2c3y h MET 36 Ca 0.41 -0.04 -0.04 0.00 -2.06 0.00 0.00 59.70 57.97 2c3y h MET 36 Cb 0.26 -0.07 -0.02 0.00 0.06 0.00 0.00 31.60 31.82 2c3y h MET 36 CO -0.20 0.30 0.18 0.78 1.06 0.00 0.00 176.91 179.03 2c3y h GLY 37 N 0.32 0.91 1.10 8.32 0.00 -1.62 -1.57 103.07 110.53 2c3y h GLY 37 Ca 0.09 -0.54 -0.06 0.00 0.00 0.00 0.00 47.33 46.83 2c3y h GLY 37 CO -0.02 0.50 0.23 0.83 0.00 0.00 0.00 176.54 178.09 2c3y h GLU 38 N 0.76 1.13 0.45 4.80 5.08 -1.08 -1.59 114.58 124.13 2c3y h GLU 38 Ca 0.18 -0.24 -0.02 0.00 -1.00 0.00 0.00 59.36 58.28 2c3y h GLU 38 Cb 0.27 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 29.35 2c3y h GLU 38 CO -0.01 0.96 -0.24 0.93 -1.00 0.00 0.00 179.01 179.65 2c3y h GLU 39 N 1.09 -0.62 -0.99 2.33 4.39 -0.61 -0.86 114.58 119.31 2c3y h GLU 39 Ca 0.24 0.04 0.19 0.00 0.34 0.00 0.00 59.36 60.17 2c3y h GLU 39 Cb 0.29 0.14 -0.11 0.00 -0.10 0.00 0.00 28.75 28.98 2c3y h GLU 39 CO -0.01 -0.41 0.59 0.00 -1.16 0.00 0.00 179.01 178.02 2c3y h ALA 40 N -0.10 1.63 -0.14 3.43 0.00 -1.06 0.71 119.26 123.72 2c3y h ALA 40 Ca -0.06 0.08 -0.04 0.00 0.00 0.00 0.00 54.91 54.90 2c3y h ALA 40 Cb 0.50 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.22 2c3y h ALA 40 CO 0.08 -0.07 -0.06 0.22 0.00 0.00 0.00 179.25 179.43 2c3y h ASP 41 N 0.74 0.30 -0.00 0.00 1.82 -0.91 -1.64 116.42 116.72 2c3y h ASP 41 Ca 0.57 -0.40 0.02 0.00 -0.39 0.00 0.00 57.03 56.83 2c3y h ASP 41 Cb 0.89 -0.08 -0.02 0.00 0.68 0.00 0.00 39.33 40.80 2c3y h ASP 41 CO -0.39 0.64 -0.11 0.44 -1.61 0.00 0.00 179.24 178.21 2c3y h ASP 42 N -0.04 -0.31 -0.78 2.28 3.32 0.03 -0.83 116.42 120.08 2c3y h ASP 42 Ca 0.03 0.05 0.03 0.00 0.02 0.00 0.00 57.03 57.16 2c3y h ASP 42 Cb 0.52 0.13 -0.05 0.00 0.22 0.00 0.00 39.33 40.16 2c3y h ASP 42 CO 0.02 -0.16 0.50 -0.50 -1.72 0.00 0.00 179.24 177.39 2c3y h TRP 43 N -0.19 0.94 -0.76 4.55 6.55 -0.91 0.23 115.95 126.36 2c3y h TRP 43 Ca 0.04 0.02 -0.02 0.00 0.95 0.00 0.00 58.89 59.88 2c3y h TRP 43 Cb 0.24 -0.31 -0.04 0.00 -0.86 0.00 0.00 29.16 28.19 2c3y h TRP 43 CO -0.17 0.55 0.39 0.00 -1.05 0.00 0.00 178.44 178.17 2c3y h ALA 44 N 1.32 0.98 -0.12 1.49 0.00 -1.02 -1.12 119.26 120.79 2c3y h ALA 44 Ca 0.31 -0.13 -0.09 0.00 0.00 0.00 0.00 54.91 54.99 2c3y h ALA 44 Cb -0.02 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.45 2c3y h ALA 44 CO -0.10 0.52 -0.33 0.00 0.00 0.00 0.00 179.25 179.34 2c3y h ALA 45 N 1.20 1.22 0.00 0.00 0.00 -0.21 -2.82 119.26 118.65 2c3y h ALA 45 Ca 0.27 -0.35 0.00 0.00 0.00 0.00 0.00 54.91 54.82 2c3y h ALA 45 Cb 0.08 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.78 2c3y h ALA 45 CO -0.04 0.52 0.00 1.96 0.00 0.00 0.00 179.25 181.69 2c3y h GLN 46 N 0.21 0.00 0.00 0.00 4.20 0.42 -3.47 115.11 116.48 2c3y h GLN 46 Ca 0.03 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.74 2c3y h GLN 46 Cb 0.69 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.47 2c3y h GLN 46 CO 0.05 0.00 0.00 0.41 -0.67 0.00 0.00 178.83 178.62 2c3y n GLY 47 N 0.47 0.83 3.72 3.46 0.00 -0.69 -5.07 105.19 107.90 2c3y n GLY 47 Ca 0.02 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.62 2c3y n GLY 47 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2c3y n ARG 48 N -1.13 2.61 -4.08 1.61 0.63 -0.52 -4.90 116.66 110.89 2c3y n ARG 48 Ca 0.00 0.93 -0.31 0.00 -0.92 0.00 0.00 57.85 57.55 2c3y n ARG 48 Cb 0.00 -2.73 -0.07 0.00 0.45 0.00 0.00 32.46 30.11 2c3y n ARG 48 CO 0.00 0.00 0.00 0.15 -2.51 0.00 0.00 177.63 175.27 2c3y s LYS 49 N 0.33 2.93 0.11 -0.14 -0.14 -1.26 -4.24 119.74 117.34 2c3y s LYS 49 Ca 0.70 -0.63 -0.01 0.00 -1.36 0.00 0.00 55.97 54.68 2c3y s LYS 49 Cb -0.54 -2.76 0.02 0.00 -1.68 0.00 0.00 37.83 32.88 2c3y s LYS 49 CO 0.41 0.59 0.16 0.27 -0.76 0.00 0.00 175.35 176.02 2c3y n ASN 50 N 0.70 0.12 0.00 2.83 0.23 0.78 -4.84 115.26 115.08 2c3y n ASN 50 Ca -0.10 -1.12 0.03 0.00 -0.53 0.00 0.00 54.58 52.86 2c3y n ASN 50 Cb 0.52 -0.11 0.13 0.00 -2.08 0.00 0.00 39.78 38.24 2c3y n ASN 50 CO 0.00 0.00 0.00 2.30 -0.93 0.00 0.00 177.26 178.63 2c3y n ILE 51 N -1.85 1.48 0.19 1.53 -5.35 -0.14 -0.86 119.36 114.36 2c3y n ILE 51 Ca 0.02 0.37 0.11 0.00 -0.27 0.00 0.00 62.75 62.98 2c3y n ILE 51 Cb 0.08 -1.27 0.21 0.00 -1.74 0.00 0.00 39.64 36.92 2c3y n ILE 51 CO 0.00 0.00 0.00 0.49 -1.76 0.00 0.00 176.55 175.28 2c3y n PHE 52 N -1.47 0.51 -1.14 4.28 3.01 -1.26 -4.94 117.46 116.45 2c3y n PHE 52 Ca 0.02 -0.29 -0.05 0.00 1.01 0.00 0.00 57.45 58.14 2c3y n PHE 52 Cb 0.07 -0.00 -0.02 0.00 -0.01 0.00 0.00 39.48 39.51 2c3y n PHE 52 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2c3y n GLY 53 N 1.35 0.75 3.52 1.37 0.00 -0.04 -5.03 105.19 107.11 2c3y n GLY 53 Ca 0.18 -0.77 -0.26 0.00 0.00 0.00 0.00 46.02 45.17 2c3y n GLY 53 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2c3y s GLN 54 N -2.30 1.85 0.33 1.61 -1.52 -1.26 -4.77 119.66 113.60 2c3y s GLN 54 Ca 0.00 -1.43 -0.25 0.00 -1.95 0.00 0.00 55.36 51.73 2c3y s GLN 54 Cb 0.00 -2.01 -0.10 0.00 -0.22 0.00 0.00 33.01 30.69 2c3y s GLN 54 CO 0.00 0.40 0.93 0.95 -0.25 0.00 0.00 175.29 177.32 2c3y s THR 55 N -1.85 4.26 0.31 -0.19 -4.23 -1.26 -0.16 115.64 112.52 2c3y s THR 55 Ca 0.25 1.75 -0.29 0.00 -1.18 0.00 0.00 61.69 62.21 2c3y s THR 55 Cb -0.08 -3.95 -0.10 0.00 1.34 0.00 0.00 72.50 69.71 2c3y s THR 55 CO 0.14 0.09 1.31 -0.22 -0.54 0.00 0.00 174.62 175.39 2c3y s LEU 56 N -2.19 4.43 -0.55 4.79 2.96 -1.26 -4.93 118.68 121.93 2c3y s LEU 56 Ca 0.51 2.64 -0.20 0.00 -0.22 0.00 0.00 54.13 56.87 2c3y s LEU 56 Cb -0.17 -3.64 0.07 0.00 0.50 0.00 0.00 46.19 42.95 2c3y s LEU 56 CO 0.22 -0.53 0.69 -0.89 -1.32 0.00 0.00 176.35 174.53 2c3y s THR 57 N -0.96 4.79 -0.07 3.68 2.01 -0.75 -4.91 115.64 119.42 2c3y s THR 57 Ca 0.50 -0.61 0.03 0.00 0.31 0.00 0.00 61.69 61.92 2c3y s THR 57 Cb -0.39 -4.41 -0.02 0.00 0.01 0.00 0.00 72.50 67.69 2c3y s THR 57 CO 0.50 -0.98 -0.16 -0.63 -0.69 0.00 0.00 174.62 172.66 2c3y s ILE 58 N 2.83 2.83 -0.00 1.82 1.01 -1.26 -0.93 121.20 127.50 2c3y s ILE 58 Ca 0.15 -0.79 0.00 0.00 0.00 0.00 0.00 60.65 60.01 2c3y s ILE 58 Cb -0.20 -2.11 0.00 0.00 0.01 0.00 0.00 42.46 40.16 2c3y s ILE 58 CO 0.10 0.57 -0.01 -0.13 0.00 0.00 0.00 174.94 175.48 2c3y s ARG 59 N -0.37 0.05 -0.19 2.79 1.81 -0.57 -4.99 118.95 117.47 2c3y s ARG 59 Ca 0.03 -0.02 -0.16 0.00 -1.72 0.00 0.00 55.73 53.87 2c3y s ARG 59 Cb -0.12 -0.05 -0.04 0.00 -0.45 0.00 0.00 34.95 34.29 2c3y s ARG 59 CO 0.02 0.01 0.39 -2.00 -0.68 0.00 0.00 175.30 173.04 2c3y s GLU 60 N 0.01 4.19 0.03 3.54 2.12 -1.26 -0.08 118.70 127.25 2c3y s GLU 60 Ca 0.00 0.20 0.00 0.00 0.36 0.00 0.00 54.97 55.53 2c3y s GLU 60 Cb -0.00 -3.52 0.01 0.00 0.26 0.00 0.00 34.13 30.87 2c3y s GLU 60 CO -0.00 0.01 0.04 -1.33 -0.54 0.00 0.00 175.26 173.44 2c3y n MET 61 N 4.31 0.62 0.01 4.30 2.81 -0.04 -4.93 117.12 124.21 2c3y n MET 61 Ca -0.09 -0.11 0.12 0.00 -1.81 0.00 0.00 57.70 55.81 2c3y n MET 61 Cb 0.51 -0.02 0.19 0.00 -0.71 0.00 0.00 33.22 33.18 2c3y n MET 61 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 2c3y n GLN 62 N -1.07 0.05 -3.68 0.03 0.00 -1.26 -4.89 117.38 106.55 2c3y n GLN 62 Ca 0.01 0.01 0.01 0.00 0.00 0.00 0.00 57.00 57.02 2c3y n GLN 62 Cb 0.02 -1.52 -0.00 0.00 0.00 0.00 0.00 30.24 28.74 2c3y n GLN 62 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.06 175.52 2c3y s SER 63 N -3.18 -0.06 0.40 2.61 1.04 -1.26 -2.40 113.70 110.85 2c3y s SER 63 Ca 0.10 -0.20 0.14 0.00 0.48 0.00 0.00 55.95 56.47 2c3y s SER 63 Cb 0.17 0.22 0.84 0.00 0.10 0.00 0.00 66.02 67.35 2c3y s SER 63 CO 0.73 -0.41 1.89 -0.33 0.98 0.00 0.00 173.24 176.10 2c3y h GLU 64 N 2.00 0.00 -0.44 4.02 3.07 -1.93 0.40 114.58 121.70 2c3y h GLU 64 Ca -0.29 0.00 -0.10 0.00 -0.50 0.00 0.00 59.36 58.47 2c3y h GLU 64 Cb 1.21 0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 29.10 2c3y h GLU 64 CO 0.29 0.30 -0.13 0.00 -1.40 0.00 0.00 179.01 178.07 2c3y h ALA 65 N 1.70 0.95 -0.37 3.43 0.00 -1.85 0.11 119.26 123.22 2c3y h ALA 65 Ca -0.00 -0.33 -0.09 0.00 0.00 0.00 0.00 54.91 54.49 2c3y h ALA 65 Cb 0.55 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 2c3y h ALA 65 CO 0.04 0.62 -0.10 0.78 0.00 0.00 0.00 179.25 180.58 2c3y h GLY 66 N 0.97 0.78 0.99 0.00 0.00 -1.65 -1.82 103.07 102.33 2c3y h GLY 66 Ca 0.12 -0.65 -0.00 0.00 0.00 0.00 0.00 47.33 46.79 2c3y h GLY 66 CO 0.04 0.60 0.25 0.00 0.00 0.00 0.00 176.54 177.43 2c3y h ALA 67 N 0.82 0.53 -0.68 3.60 0.00 -0.53 -1.41 119.26 121.59 2c3y h ALA 67 Ca 0.09 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 54.94 2c3y h ALA 67 Cb 0.62 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.21 2c3y h ALA 67 CO 0.04 0.02 0.41 0.00 0.00 0.00 0.00 179.25 179.71 2c3y h ALA 68 N 1.12 0.86 -0.76 0.00 0.00 -0.69 1.00 119.26 120.79 2c3y h ALA 68 Ca 0.15 -0.08 -0.03 0.00 0.00 0.00 0.00 54.91 54.94 2c3y h ALA 68 Cb -0.01 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 17.48 2c3y h ALA 68 CO -0.03 0.34 0.35 0.78 0.00 0.00 0.00 179.25 180.69 2c3y h GLY 69 N 0.92 1.19 1.37 0.00 0.00 -1.06 -0.22 103.07 105.26 2c3y h GLY 69 Ca 0.24 -0.61 -0.12 0.00 0.00 0.00 0.00 47.33 46.84 2c3y h GLY 69 CO -0.05 0.58 -0.29 0.00 0.00 0.00 0.00 176.54 176.78 2c3y h ALA 70 N 1.18 0.85 -0.59 3.60 0.00 -0.73 -1.13 119.26 122.43 2c3y h ALA 70 Ca 0.26 -0.40 -0.04 0.00 0.00 0.00 0.00 54.91 54.73 2c3y h ALA 70 Cb 0.15 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.78 2c3y h ALA 70 CO -0.03 0.64 0.22 0.28 0.00 0.00 0.00 179.25 180.36 2c3y h VAL 71 N 0.61 1.23 -0.39 0.00 2.07 -0.43 -0.44 116.25 118.91 2c3y h VAL 71 Ca 0.07 -0.75 -0.01 0.00 0.82 0.00 0.00 66.70 66.84 2c3y h VAL 71 Cb 0.80 0.61 -0.02 0.00 -1.52 0.00 0.00 31.29 31.17 2c3y h VAL 71 CO 0.07 0.29 0.21 -0.74 0.02 0.00 0.00 177.57 177.41 2c3y h HIS 72 N 0.83 0.54 -0.53 1.57 6.17 -0.79 -1.75 115.15 121.19 2c3y h HIS 72 Ca 0.20 -0.02 -0.01 0.00 0.71 0.00 0.00 60.37 61.25 2c3y h HIS 72 Cb 0.23 -0.17 -0.03 0.00 2.52 0.00 0.00 27.41 29.97 2c3y h HIS 72 CO 0.01 0.43 0.31 0.78 0.71 0.00 0.00 177.93 180.16 2c3y h GLY 73 N 0.50 0.77 0.96 5.26 0.00 -0.83 0.14 103.07 109.87 2c3y h GLY 73 Ca 0.14 -0.34 -0.02 0.00 0.00 0.00 0.00 47.33 47.12 2c3y h GLY 73 CO -0.02 0.32 0.21 0.00 0.00 0.00 0.00 176.54 177.05 2c3y h ALA 74 N 1.14 0.56 -0.41 3.60 0.00 -0.92 -0.77 119.26 122.46 2c3y h ALA 74 Ca 0.19 -0.11 -0.05 0.00 0.00 0.00 0.00 54.91 54.94 2c3y h ALA 74 Cb 0.01 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 2c3y h ALA 74 CO -0.03 0.12 0.08 -0.07 0.00 0.00 0.00 179.25 179.34 2c3y h LEU 75 N 0.56 0.65 -1.91 0.00 3.38 -1.15 -1.31 115.31 115.52 2c3y h LEU 75 Ca 0.15 -0.25 -0.01 0.00 0.09 0.00 0.00 57.88 57.85 2c3y h LEU 75 Cb 0.12 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 40.70 2c3y h LEU 75 CO -0.02 0.74 -0.07 0.00 0.09 0.00 0.00 178.44 179.18 2c3y h ALA 76 N 0.94 1.84 -0.40 1.53 0.00 -0.76 -1.21 119.26 121.19 2c3y h ALA 76 Ca 0.13 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.98 2c3y h ALA 76 Cb 0.36 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.14 2c3y h ALA 76 CO 0.01 0.08 0.00 0.00 0.00 0.00 0.00 179.25 179.34 2c3y n ALA 77 N -2.50 3.28 -1.35 0.00 0.00 -0.31 -0.52 120.51 119.10 2c3y n ALA 77 Ca -0.03 -1.22 -0.02 0.00 0.00 0.00 0.00 53.44 52.17 2c3y n ALA 77 Cb 0.15 -1.07 -0.01 0.00 0.00 0.00 0.00 19.45 18.52 2c3y n ALA 77 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2c3y n GLY 78 N 0.55 0.46 3.34 0.00 0.00 -0.46 -4.75 105.19 104.33 2c3y n GLY 78 Ca 0.18 -0.94 -0.33 0.00 0.00 0.00 0.00 46.02 44.94 2c3y n GLY 78 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2c3y s ALA 79 N -2.08 2.49 0.08 4.61 0.00 -0.55 -4.76 121.76 121.55 2c3y s ALA 79 Ca 0.00 -0.93 -0.31 0.00 0.00 0.00 0.00 51.96 50.72 2c3y s ALA 79 Cb 0.00 -1.06 -0.09 0.00 0.00 0.00 0.00 23.12 21.98 2c3y s ALA 79 CO 0.00 0.31 1.74 -0.51 0.00 0.00 0.00 175.76 177.29 2c3y s LEU 80 N 0.19 4.38 0.09 0.00 1.43 -1.26 -3.76 118.68 119.74 2c3y s LEU 80 Ca -0.10 2.59 0.05 0.00 -1.03 0.00 0.00 54.13 55.65 2c3y s LEU 80 Cb -0.16 -3.56 -0.03 0.00 0.03 0.00 0.00 46.19 42.47 2c3y s LEU 80 CO 0.06 -0.94 -0.14 -0.89 0.23 0.00 0.00 176.35 174.67 2c3y s THR 81 N 2.82 1.16 0.22 5.49 2.01 -1.26 -1.19 115.64 124.89 2c3y s THR 81 Ca 0.77 -1.44 -0.05 0.00 0.31 0.00 0.00 61.69 61.29 2c3y s THR 81 Cb -0.42 -1.21 -0.03 0.00 0.01 0.00 0.00 72.50 70.85 2c3y s THR 81 CO 0.34 -0.30 0.25 0.42 -0.69 0.00 0.00 174.62 174.64 2c3y s THR 82 N -1.58 0.00 0.19 -0.82 -4.23 -0.75 -3.01 115.64 105.45 2c3y s THR 82 Ca 0.01 -1.80 -0.19 0.00 -1.18 0.00 0.00 61.69 58.54 2c3y s THR 82 Cb -0.08 -2.40 0.03 0.00 1.34 0.00 0.00 72.50 71.39 2c3y s THR 82 CO 0.02 0.00 0.54 0.28 -0.54 0.00 0.00 174.62 174.93 2c3y s THR 83 N -4.11 0.02 -0.07 3.99 -1.32 -1.18 -3.21 115.64 109.76 2c3y s THR 83 Ca 0.33 -0.67 0.02 0.00 -1.21 0.00 0.00 61.69 60.16 2c3y s THR 83 Cb 0.04 -1.50 0.01 0.00 -1.51 0.00 0.00 72.50 69.55 2c3y s THR 83 CO 0.11 -0.10 -0.12 -0.36 -2.21 0.00 0.00 174.62 171.94 2c3y s PHE 84 N -3.85 1.48 0.00 9.09 0.40 -1.26 -1.52 117.98 122.31 2c3y s PHE 84 Ca 0.08 -0.58 0.00 0.00 -0.60 0.00 0.00 56.93 55.83 2c3y s PHE 84 Cb -0.01 -1.10 0.00 0.00 0.51 0.00 0.00 43.02 42.41 2c3y s PHE 84 CO -0.04 -0.32 0.00 -2.37 0.70 0.00 0.00 175.22 173.19 2c3y n THR 85 N 3.99 0.00 0.00 0.64 5.66 -0.77 -4.68 114.28 119.11 2c3y n THR 85 Ca -0.21 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.79 2c3y n THR 85 Cb 0.51 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.29 2c3y n THR 85 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2c3y n ALA 86 N -3.00 0.00 0.00 1.79 0.00 -1.26 -2.10 120.51 115.94 2c3y n ALA 86 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2c3y n ALA 86 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 2c3y n ALA 86 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2c3y n SER 87 N 0.00 0.00 -0.29 0.00 2.88 -1.26 -0.28 113.62 114.67 2c3y n SER 87 Ca 0.00 0.00 0.22 0.00 -1.33 0.00 0.00 58.87 57.76 2c3y n SER 87 Cb 0.00 0.00 0.53 0.00 -0.75 0.00 0.00 64.21 63.99 2c3y n SER 87 CO 0.00 0.00 0.00 1.56 -1.23 0.00 0.00 175.04 175.37 2c3y h GLN 88 N 0.00 0.36 -0.26 -1.46 1.08 -1.89 -0.26 115.11 112.68 2c3y h GLN 88 Ca 0.00 -0.02 -0.06 0.00 -1.45 0.00 0.00 58.65 57.12 2c3y h GLN 88 Cb 0.00 -0.08 -0.01 0.00 -0.05 0.00 0.00 27.48 27.34 2c3y h GLN 88 CO 0.00 0.24 -0.06 0.78 -0.95 0.00 0.00 178.83 178.84 2c3y h GLY 89 N 0.37 0.54 1.05 3.46 0.00 -1.07 -2.81 103.07 104.62 2c3y h GLY 89 Ca 0.54 -0.44 -0.02 0.00 0.00 0.00 0.00 47.33 47.40 2c3y h GLY 89 CO -0.22 0.40 0.46 -2.00 0.00 0.00 0.00 176.54 175.18 2c3y h LEU 90 N 0.25 1.11 -0.94 3.11 5.85 -0.30 -2.21 115.31 122.18 2c3y h LEU 90 Ca 0.07 -0.11 0.09 0.00 0.84 0.00 0.00 57.88 58.76 2c3y h LEU 90 Cb 0.53 -0.28 -0.07 0.00 0.37 0.00 0.00 40.66 41.20 2c3y h LEU 90 CO 0.02 0.91 0.59 -0.07 -0.34 0.00 0.00 178.44 179.55 2c3y h LEU 91 N 1.23 0.90 -1.60 2.25 3.38 -1.17 0.56 115.31 120.86 2c3y h LEU 91 Ca 0.31 0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.31 2c3y h LEU 91 Cb 0.06 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 40.65 2c3y h LEU 91 CO -0.05 0.53 0.00 -0.07 0.09 0.00 0.00 178.44 178.95 2c3y h LEU 92 N 1.01 0.00 0.00 1.67 3.38 -1.15 -2.72 115.31 117.50 2c3y h LEU 92 Ca 0.43 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.40 2c3y h LEU 92 Cb 0.30 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.05 2c3y h LEU 92 CO -0.22 0.00 -0.78 0.24 0.09 0.00 0.00 178.44 177.78 2c3y h MET 93 N 0.00 0.00 -0.77 1.13 2.86 -0.68 -3.37 114.93 114.10 2c3y h MET 93 Ca 0.00 0.00 0.18 0.00 -2.06 0.00 0.00 59.70 57.82 2c3y h MET 93 Cb 0.39 0.00 -0.13 0.00 0.06 0.00 0.00 31.60 31.92 2c3y h MET 93 CO 0.00 0.00 0.10 0.82 1.06 0.00 0.00 176.91 178.89 2c3y h ILE 94 N 0.00 0.39 -0.66 -1.22 2.04 -1.11 -1.18 117.51 115.77 2c3y h ILE 94 Ca 0.00 -0.06 0.06 0.00 1.00 0.00 0.00 64.86 65.86 2c3y h ILE 94 Cb 0.80 0.21 -0.05 0.00 -0.74 0.00 0.00 36.82 37.04 2c3y h ILE 94 CO 0.00 0.03 0.37 -0.65 0.00 0.00 0.00 178.15 177.90 2c3y h PRO 95 N 0.17 0.67 0.00 2.37 0.11 -1.80 -1.49 132.00 132.03 2c3y h PRO 95 Ca 0.43 -0.04 -0.04 0.00 0.11 0.00 0.00 66.00 66.47 2c3y h PRO 95 Cb 0.78 -0.15 -0.01 0.00 0.11 0.00 0.00 31.00 31.73 2c3y h PRO 95 CO -0.61 0.45 -0.17 -0.91 -0.21 0.00 0.00 178.00 176.54 2c3y h ASN 96 N 0.69 0.00 -0.31 -2.05 2.35 -1.59 -3.05 115.58 111.63 2c3y h ASN 96 Ca 0.29 0.00 -0.09 0.00 -0.55 0.00 0.00 56.30 55.95 2c3y h ASN 96 Cb 0.17 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.52 2c3y h ASN 96 CO -0.17 0.17 -0.11 0.24 -1.65 0.00 0.00 177.43 175.91 2c3y h MET 97 N 0.00 0.74 -0.39 0.81 2.86 -0.18 0.16 114.93 118.93 2c3y h MET 97 Ca -0.00 -0.24 -0.05 0.00 -2.06 0.00 0.00 59.70 57.35 2c3y h MET 97 Cb 0.76 -0.06 -0.02 0.00 0.06 0.00 0.00 31.60 32.34 2c3y h MET 97 CO 0.02 0.82 0.05 1.88 1.06 0.00 0.00 176.91 180.74 2c3y h TYR 98 N 0.67 0.61 -0.11 -0.22 -1.99 -1.39 -1.28 116.97 113.25 2c3y h TYR 98 Ca 0.11 -0.05 -0.19 0.00 2.00 0.00 0.00 58.73 60.60 2c3y h TYR 98 Cb 0.58 -0.18 0.01 0.00 2.00 0.00 0.00 36.73 39.14 2c3y h TYR 98 CO 0.03 0.56 -0.67 0.87 -0.00 0.00 0.00 178.16 178.95 2c3y h LYS 99 N 0.57 0.64 -0.56 4.88 1.79 -1.41 0.45 116.57 122.93 2c3y h LYS 99 Ca 0.13 -0.55 -0.09 0.00 -2.18 0.00 0.00 60.65 57.96 2c3y h LYS 99 Cb 0.29 0.12 -0.02 0.00 -1.58 0.00 0.00 32.23 31.04 2c3y h LYS 99 CO 0.00 1.16 -0.01 0.82 -1.08 0.00 0.00 179.45 180.35 2c3y h ILE 100 N 0.30 1.26 0.21 1.86 2.04 -0.43 -0.24 117.51 122.51 2c3y h ILE 100 Ca -0.05 -1.12 -0.32 0.00 1.00 0.00 0.00 64.86 64.36 2c3y h ILE 100 Cb 1.31 0.83 0.03 0.00 -0.74 0.00 0.00 36.82 38.26 2c3y h ILE 100 CO 0.14 0.40 -1.40 0.77 0.00 0.00 0.00 178.15 178.06 2c3y h SER 101 N 0.90 0.85 -0.35 1.72 4.64 -1.31 -1.15 113.55 118.85 2c3y h SER 101 Ca 0.16 -0.86 0.03 0.00 -0.47 0.00 0.00 61.79 60.66 2c3y h SER 101 Cb 0.53 -0.27 -0.02 0.00 -0.31 0.00 0.00 62.40 62.33 2c3y h SER 101 CO 0.03 1.67 0.23 1.23 -0.87 0.00 0.00 176.83 179.12 2c3y h GLY 102 N 0.27 0.37 -2.45 -0.77 0.00 -0.76 0.43 103.07 100.16 2c3y h GLY 102 Ca -0.23 -0.13 0.00 0.00 0.00 0.00 0.00 47.33 46.97 2c3y h GLY 102 CO 0.26 0.11 0.00 1.18 0.00 0.00 0.00 176.54 178.09 2c3y n GLU 103 N -4.49 2.78 -3.83 4.80 1.02 -0.11 -4.98 120.64 115.84 2c3y n GLU 103 Ca 0.03 -2.32 -0.33 0.00 -0.02 0.00 0.00 57.16 54.52 2c3y n GLU 103 Cb 0.18 -1.61 0.02 0.00 -0.02 0.00 0.00 31.44 30.01 2c3y n GLU 103 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 2c3y n LEU 104 N 1.19 -2.16 -4.79 -4.62 4.77 0.14 -4.97 117.00 106.56 2c3y n LEU 104 Ca 0.21 -1.08 -0.36 0.00 -0.03 0.00 0.00 56.01 54.76 2c3y n LEU 104 Cb 0.62 -2.19 -0.07 0.00 -2.33 0.00 0.00 43.42 39.45 2c3y n LEU 104 CO 0.17 0.53 -0.19 -0.76 -1.33 0.00 0.00 177.39 175.81 2c3y s LEU 105 N -6.79 4.21 0.00 2.23 1.43 -0.45 -4.66 118.68 114.65 2c3y s LEU 105 Ca 0.37 0.32 -0.03 0.00 -1.03 0.00 0.00 54.13 53.76 2c3y s LEU 105 Cb -0.15 -2.05 -0.12 0.00 0.03 0.00 0.00 46.19 43.90 2c3y s LEU 105 CO 0.89 0.30 2.11 -0.81 0.23 0.00 0.00 176.35 179.07 2c3y n PRO 106 N 2.72 1.07 -2.46 1.29 -0.04 -1.26 -2.61 135.00 133.71 2c3y n PRO 106 Ca -0.18 -0.45 -0.31 0.00 -0.04 0.00 0.00 63.50 62.52 2c3y n PRO 106 Cb 0.54 -1.63 -0.02 0.00 -0.04 0.00 0.00 33.50 32.34 2c3y n PRO 106 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 2c3y s GLY 107 N 2.27 1.91 -0.07 0.55 0.00 -1.26 -4.60 107.32 106.12 2c3y s GLY 107 Ca 0.30 -0.04 0.00 0.00 0.00 0.00 0.00 44.72 44.98 2c3y s GLY 107 CO 0.00 0.20 -0.05 0.14 0.00 0.00 0.00 173.10 173.39 2c3y s VAL 108 N -2.66 0.69 -0.18 1.40 1.01 -1.16 -0.57 120.40 118.93 2c3y s VAL 108 Ca 0.55 -0.16 -0.05 0.00 0.00 0.00 0.00 61.98 62.32 2c3y s VAL 108 Cb -0.10 -0.72 -0.03 0.00 0.00 0.00 0.00 36.38 35.53 2c3y s VAL 108 CO 0.37 0.28 0.01 -0.36 0.00 0.00 0.00 175.10 175.39 2c3y s PHE 109 N 1.24 3.11 -0.29 5.22 2.99 0.49 -3.09 117.98 127.64 2c3y s PHE 109 Ca -0.05 -0.21 -0.08 0.00 0.00 0.00 0.00 56.93 56.59 2c3y s PHE 109 Cb -0.14 -2.04 -0.00 0.00 0.00 0.00 0.00 43.02 40.84 2c3y s PHE 109 CO -0.02 -0.03 0.10 -1.01 -0.00 0.00 0.00 175.22 174.26 2c3y s HIS 110 N 0.55 3.15 -0.04 0.36 3.76 -0.58 -0.57 115.29 121.92 2c3y s HIS 110 Ca -0.00 -0.78 0.06 0.00 -0.15 0.00 0.00 55.06 54.20 2c3y s HIS 110 Cb -0.14 -2.28 -0.01 0.00 1.11 0.00 0.00 32.58 31.26 2c3y s HIS 110 CO 0.02 -0.51 -0.24 0.54 -0.85 0.00 0.00 174.74 173.70 2c3y s VAL 111 N 1.55 1.97 -0.64 -0.90 0.11 -0.06 -1.85 120.40 120.58 2c3y s VAL 111 Ca 0.04 -1.03 -0.18 0.00 -2.93 0.00 0.00 61.98 57.88 2c3y s VAL 111 Cb -0.17 -1.66 0.13 0.00 -1.53 0.00 0.00 36.38 33.15 2c3y s VAL 111 CO 0.04 0.55 0.71 0.42 -3.33 0.00 0.00 175.10 173.49 2c3y s THR 112 N -0.28 4.99 -0.30 5.04 -4.23 -0.89 -1.99 115.64 117.97 2c3y s THR 112 Ca 0.01 -1.33 -0.39 0.00 -1.18 0.00 0.00 61.69 58.80 2c3y s THR 112 Cb -0.12 -4.48 -0.15 0.00 1.34 0.00 0.00 72.50 69.08 2c3y s THR 112 CO 0.02 -1.10 1.83 0.00 -0.54 0.00 0.00 174.62 174.84 2c3y n ALA 113 N 5.85 0.05 -2.77 3.99 0.00 -0.25 -4.47 120.51 122.91 2c3y n ALA 113 Ca -0.05 0.31 -0.16 0.00 0.00 0.00 0.00 53.44 53.54 2c3y n ALA 113 Cb 0.43 -2.27 -0.12 0.00 0.00 0.00 0.00 19.45 17.49 2c3y n ALA 113 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 2c3y s ARG 114 N 4.08 0.67 0.74 0.00 3.52 -1.15 -0.94 118.95 125.86 2c3y s ARG 114 Ca 1.01 -0.77 -0.15 0.00 -0.13 0.00 0.00 55.73 55.69 2c3y s ARG 114 Cb -1.05 -0.57 0.03 0.00 -1.56 0.00 0.00 34.95 31.81 2c3y s ARG 114 CO 0.63 0.12 1.14 0.00 -0.81 0.00 0.00 175.30 176.39 2c3y n ALA 115 N 1.61 0.17 -2.85 6.12 0.00 -0.18 -3.45 120.51 121.92 2c3y n ALA 115 Ca -0.21 -0.21 -0.34 0.00 0.00 0.00 0.00 53.44 52.69 2c3y n ALA 115 Cb 0.55 -2.22 -0.05 0.00 0.00 0.00 0.00 19.45 17.73 2c3y n ALA 115 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 2c3y s ILE 116 N -1.84 5.38 -0.25 0.00 -1.09 -1.26 -4.66 121.20 117.48 2c3y s ILE 116 Ca 0.76 -0.03 -0.29 0.00 -2.23 0.00 0.00 60.65 58.85 2c3y s ILE 116 Cb -0.33 -3.55 -0.00 0.00 -1.58 0.00 0.00 42.46 37.00 2c3y s ILE 116 CO 0.48 0.34 1.23 0.00 -1.23 0.00 0.00 174.94 175.76 2c3y s ALA 117 N -1.32 3.52 0.00 9.38 0.00 -1.26 -4.76 121.76 127.32 2c3y s ALA 117 Ca 0.27 0.21 0.00 0.00 0.00 0.00 0.00 51.96 52.45 2c3y s ALA 117 Cb -0.13 -3.68 0.00 0.00 0.00 0.00 0.00 23.12 19.31 2c3y s ALA 117 CO 0.18 -1.45 0.00 0.00 0.00 0.00 0.00 175.76 174.49 2c3y n ALA 118 N 7.04 0.73 0.24 0.00 0.00 -1.26 -4.86 120.51 122.40 2c3y n ALA 118 Ca 0.14 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.70 2c3y n ALA 118 Cb 0.46 0.00 0.51 0.00 0.00 0.00 0.00 19.45 20.42 2c3y n ALA 118 CO 0.00 0.00 0.00 1.12 0.00 0.00 0.00 177.50 178.62 2c3y h HIS 119 N 0.00 0.00 -2.78 0.00 2.07 -1.89 -3.45 115.15 109.09 2c3y h HIS 119 Ca 0.00 0.00 0.05 0.00 -2.85 0.00 0.00 60.37 57.57 2c3y h HIS 119 Cb 0.00 0.00 -0.11 0.00 2.57 0.00 0.00 27.41 29.87 2c3y h HIS 119 CO 0.00 0.13 0.30 0.00 -3.07 0.00 0.00 177.93 175.29 2c3y s ALA 120 N -3.61 -1.57 0.27 6.11 0.00 -1.26 -4.45 121.76 117.25 2c3y s ALA 120 Ca 0.01 0.38 -0.12 0.00 0.00 0.00 0.00 51.96 52.23 2c3y s ALA 120 Cb 0.09 0.76 -0.08 0.00 0.00 0.00 0.00 23.12 23.89 2c3y s ALA 120 CO 0.61 -0.84 0.63 -1.17 0.00 0.00 0.00 175.76 174.99 2c3y s LEU 121 N -2.76 4.14 -0.13 0.00 0.20 -1.26 -4.31 118.68 114.56 2c3y s LEU 121 Ca 0.05 1.10 -0.07 0.00 0.69 0.00 0.00 54.13 55.90 2c3y s LEU 121 Cb -0.02 -3.83 0.05 0.00 -0.43 0.00 0.00 46.19 41.96 2c3y s LEU 121 CO -0.06 -0.12 0.32 -0.55 -0.29 0.00 0.00 176.35 175.65 2c3y s SER 122 N -2.27 -0.37 0.00 3.68 0.15 -1.26 -5.02 113.70 108.62 2c3y s SER 122 Ca 0.50 0.68 0.26 0.00 0.70 0.00 0.00 55.95 58.09 2c3y s SER 122 Cb -0.11 0.56 0.75 0.00 -1.71 0.00 0.00 66.02 65.52 2c3y s SER 122 CO 0.19 -0.17 1.56 2.30 1.20 0.00 0.00 173.24 178.32 2c3y n ILE 123 N 4.19 0.00 -2.09 6.45 -5.35 -1.26 -4.32 119.36 116.98 2c3y n ILE 123 Ca -0.24 -0.16 -0.27 0.00 -0.27 0.00 0.00 62.75 61.81 2c3y n ILE 123 Cb 0.54 0.48 0.09 0.00 -1.74 0.00 0.00 39.64 39.01 2c3y n ILE 123 CO 0.00 0.00 0.00 -0.36 -1.76 0.00 0.00 176.55 174.43 2c3y s PHE 124 N -2.41 2.78 0.09 4.28 0.08 -1.26 -4.35 117.98 117.19 2c3y s PHE 124 Ca 0.26 0.52 -0.26 0.00 0.12 0.00 0.00 56.93 57.57 2c3y s PHE 124 Cb 0.19 -3.37 -0.06 0.00 -0.57 0.00 0.00 43.02 39.21 2c3y s PHE 124 CO 0.49 -1.65 0.81 0.20 -0.10 0.00 0.00 175.22 174.97 2c3y s GLY 125 N -4.58 2.86 -0.00 4.36 0.00 -1.19 -1.01 107.32 107.77 2c3y s GLY 125 Ca 0.62 0.36 -0.30 0.00 0.00 0.00 0.00 44.72 45.40 2c3y s GLY 125 CO 0.47 1.11 1.27 0.51 0.00 0.00 0.00 173.10 176.45 2c3y s ASP 126 N -0.32 -0.05 -0.11 1.64 3.84 -1.17 0.64 116.67 121.14 2c3y s ASP 126 Ca 0.39 -0.17 0.12 0.00 -0.00 0.00 0.00 52.55 52.89 2c3y s ASP 126 Cb -0.22 0.18 0.54 0.00 -1.38 0.00 0.00 42.92 42.05 2c3y s ASP 126 CO 0.25 -0.34 1.39 1.41 -0.00 0.00 0.00 175.17 177.88 2c3y n HIS 127 N -0.56 1.20 -0.36 2.11 8.25 0.10 -2.94 115.22 123.02 2c3y n HIS 127 Ca -0.06 -0.45 0.03 0.00 -0.26 0.00 0.00 57.72 56.97 2c3y n HIS 127 Cb 0.62 -0.25 0.18 0.00 1.12 0.00 0.00 29.99 31.66 2c3y n HIS 127 CO 0.00 0.00 0.00 1.96 0.64 0.00 0.00 176.34 178.94 2c3y h GLN 128 N 2.94 1.07 0.14 -0.41 4.20 -1.80 -2.02 115.11 119.24 2c3y h GLN 128 Ca 0.00 -0.06 -0.01 0.00 0.06 0.00 0.00 58.65 58.64 2c3y h GLN 128 Cb 1.24 -0.24 0.00 0.00 0.30 0.00 0.00 27.48 28.78 2c3y h GLN 128 CO 0.22 0.71 -0.07 0.38 -0.67 0.00 0.00 178.83 179.40 2c3y h ASP 129 N 1.10 -0.16 -0.39 1.46 -0.00 -1.77 -2.97 116.42 113.69 2c3y h ASP 129 Ca 0.44 -0.37 -0.00 0.00 -0.00 0.00 0.00 57.03 57.09 2c3y h ASP 129 Cb 0.23 0.04 -0.02 0.00 -0.00 0.00 0.00 39.33 39.58 2c3y h ASP 129 CO -0.19 0.35 0.25 0.16 -0.00 0.00 0.00 179.24 179.80 2c3y h ILE 130 N -0.73 1.11 0.00 4.15 -0.00 -1.86 -1.63 117.51 118.56 2c3y h ILE 130 Ca -0.02 -0.25 -0.07 0.00 -0.00 0.00 0.00 64.86 64.52 2c3y h ILE 130 Cb 0.52 0.54 -0.01 0.00 -0.00 0.00 0.00 36.82 37.88 2c3y h ILE 130 CO 0.03 0.12 -0.34 1.88 -0.00 0.00 0.00 178.15 179.83 2c3y h TYR 131 N 0.55 0.00 0.00 0.16 0.99 -1.42 -2.44 116.97 114.80 2c3y h TYR 131 Ca 0.15 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.88 2c3y h TYR 131 Cb -0.03 0.00 0.00 0.00 1.00 0.00 0.00 36.73 37.70 2c3y h TYR 131 CO 0.00 0.34 0.00 0.00 -0.00 0.00 0.00 178.16 178.51 2c3y h ALA 132 N 1.66 1.00 -0.35 3.88 0.00 -1.12 -2.71 119.26 121.61 2c3y h ALA 132 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2c3y h ALA 132 Cb 0.69 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.48 2c3y h ALA 132 CO 0.04 0.00 0.00 0.00 0.00 0.00 0.00 179.25 179.29 2c3y n ALA 133 N -2.00 2.65 0.28 0.00 0.00 -0.93 -4.64 120.51 115.87 2c3y n ALA 133 Ca 0.00 -1.71 0.17 0.00 0.00 0.00 0.00 53.44 51.91 2c3y n ALA 133 Cb 0.25 -0.63 0.77 0.00 0.00 0.00 0.00 19.45 19.84 2c3y n ALA 133 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 177.50 177.57 2c3y h ARG 134 N 2.18 0.00 -0.52 0.00 0.11 -1.42 -2.74 114.38 111.99 2c3y h ARG 134 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 2c3y h ARG 134 Cb 1.14 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.22 2c3y h ARG 134 CO 0.13 0.04 0.00 0.00 0.10 0.00 0.00 179.97 180.23 2c3y n GLN 135 N -3.17 2.42 0.01 0.08 0.00 -1.26 -4.32 117.38 111.12 2c3y n GLN 135 Ca -0.00 -2.18 0.13 0.00 0.00 0.00 0.00 57.00 54.94 2c3y n GLN 135 Cb 0.27 -1.49 0.55 0.00 0.00 0.00 0.00 30.24 29.57 2c3y n GLN 135 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.06 177.31 2c3y n THR 136 N 1.31 0.22 -0.42 -0.39 -2.24 -1.04 -4.90 114.28 106.83 2c3y n THR 136 Ca 0.20 0.03 0.00 0.00 -2.27 0.00 0.00 64.05 62.01 2c3y n THR 136 Cb 0.54 -0.60 0.00 0.00 -2.10 0.00 0.00 70.33 68.17 2c3y n THR 136 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2c3y n GLY 137 N 1.21 0.78 3.83 3.38 0.00 -1.26 -4.07 105.19 109.06 2c3y n GLY 137 Ca 0.06 -0.06 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 2c3y n GLY 137 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2c3y s PHE 138 N -2.00 3.66 0.47 1.61 0.40 -1.26 -4.73 117.98 116.13 2c3y s PHE 138 Ca 0.00 1.21 -0.21 0.00 -0.60 0.00 0.00 56.93 57.33 2c3y s PHE 138 Cb 0.00 -2.48 -0.09 0.00 0.51 0.00 0.00 43.02 40.96 2c3y s PHE 138 CO 0.00 0.43 1.03 0.00 0.70 0.00 0.00 175.22 177.38 2c3y s ALA 139 N -1.41 2.93 -0.15 5.36 0.00 0.11 -4.80 121.76 123.79 2c3y s ALA 139 Ca 0.38 0.59 -0.01 0.00 0.00 0.00 0.00 51.96 52.92 2c3y s ALA 139 Cb -0.17 -3.24 0.04 0.00 0.00 0.00 0.00 23.12 19.75 2c3y s ALA 139 CO 0.20 -0.23 -0.05 -1.64 0.00 0.00 0.00 175.76 174.04 2c3y s MET 140 N -3.12 1.39 -0.19 0.00 -1.94 0.44 -0.15 119.30 115.73 2c3y s MET 140 Ca 0.65 -0.44 0.00 0.00 -1.71 0.00 0.00 55.69 54.19 2c3y s MET 140 Cb -0.16 -1.89 0.02 0.00 2.01 0.00 0.00 34.83 34.80 2c3y s MET 140 CO 0.20 -0.40 -0.17 -0.51 -0.01 0.00 0.00 175.02 174.13 2c3y s LEU 141 N 1.67 2.31 -0.00 -0.03 1.43 -0.46 -0.20 118.68 123.40 2c3y s LEU 141 Ca 0.02 -0.61 -0.02 0.00 -1.03 0.00 0.00 54.13 52.48 2c3y s LEU 141 Cb -0.15 -1.53 -0.04 0.00 0.03 0.00 0.00 46.19 44.50 2c3y s LEU 141 CO -0.08 -0.01 0.17 0.00 0.23 0.00 0.00 176.35 176.67 2c3y s ALA 142 N 1.32 3.92 -0.03 4.21 0.00 0.21 -1.67 121.76 129.73 2c3y s ALA 142 Ca 0.05 -0.78 0.06 0.00 0.00 0.00 0.00 51.96 51.29 2c3y s ALA 142 Cb -0.13 -1.84 -0.02 0.00 0.00 0.00 0.00 23.12 21.12 2c3y s ALA 142 CO -0.11 0.75 -0.21 -1.54 0.00 0.00 0.00 175.76 174.65 2c3y s SER 143 N -1.98 3.49 0.00 0.00 1.04 -0.74 -4.72 113.70 110.79 2c3y s SER 143 Ca 0.28 -0.36 0.16 0.00 0.48 0.00 0.00 55.95 56.51 2c3y s SER 143 Cb -0.13 -0.56 0.25 0.00 0.10 0.00 0.00 66.02 65.68 2c3y s SER 143 CO 0.19 0.33 1.15 -1.54 0.98 0.00 0.00 173.24 174.35 2c3y n SER 144 N 2.35 2.75 -3.59 7.02 3.41 -1.26 -4.41 113.62 119.88 2c3y n SER 144 Ca -0.17 -1.80 -0.09 0.00 -0.26 0.00 0.00 58.87 56.56 2c3y n SER 144 Cb 0.52 -0.13 -0.02 0.00 -0.26 0.00 0.00 64.21 64.32 2c3y n SER 144 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 2c3y s SER 145 N -1.24 -0.06 0.16 4.04 1.04 -1.26 -3.75 113.70 112.63 2c3y s SER 145 Ca 0.25 -0.89 -0.13 0.00 0.48 0.00 0.00 55.95 55.65 2c3y s SER 145 Cb 0.15 0.73 0.05 0.00 0.10 0.00 0.00 66.02 67.05 2c3y s SER 145 CO 0.22 -1.39 1.72 0.58 0.98 0.00 0.00 173.24 175.34 2c3y h VAL 146 N 2.06 1.21 -0.80 5.02 2.07 -1.91 -0.04 116.25 123.86 2c3y h VAL 146 Ca -0.25 -0.63 -0.04 0.00 0.82 0.00 0.00 66.70 66.60 2c3y h VAL 146 Cb 1.25 0.65 -0.04 0.00 -1.52 0.00 0.00 31.29 31.64 2c3y h VAL 146 CO 0.32 0.24 0.35 -0.61 0.02 0.00 0.00 177.57 177.89 2c3y h GLN 147 N 0.70 1.17 -0.04 1.57 5.75 -1.95 -2.34 115.11 119.96 2c3y h GLN 147 Ca 0.18 -0.19 -0.10 0.00 -0.15 0.00 0.00 58.65 58.39 2c3y h GLN 147 Cb 0.17 -0.20 -0.01 0.00 1.07 0.00 0.00 27.48 28.51 2c3y h GLN 147 CO -0.02 0.92 -0.42 0.93 -2.65 0.00 0.00 178.83 177.59 2c3y h GLU 148 N 1.14 0.09 -0.95 1.69 5.08 -1.86 -2.39 114.58 117.39 2c3y h GLU 148 Ca 0.27 -0.04 0.02 0.00 -1.00 0.00 0.00 59.36 58.61 2c3y h GLU 148 Cb 0.16 -0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.36 2c3y h GLU 148 CO -0.03 0.50 0.62 0.00 -1.00 0.00 0.00 179.01 179.10 2c3y h ALA 149 N 1.50 1.23 0.27 3.43 0.00 -0.46 0.33 119.26 125.56 2c3y h ALA 149 Ca 0.00 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 2c3y h ALA 149 Cb 0.78 -0.36 0.00 0.00 0.00 0.00 0.00 17.79 18.21 2c3y h ALA 149 CO 0.06 0.54 -0.13 1.25 0.00 0.00 0.00 179.25 180.97 2c3y h HIS 150 N 1.24 -0.33 0.01 0.00 -0.00 -1.32 -1.68 115.15 113.06 2c3y h HIS 150 Ca 0.36 -0.01 0.01 0.00 -0.00 0.00 0.00 60.37 60.73 2c3y h HIS 150 Cb -0.07 0.11 -0.01 0.00 -0.00 0.00 0.00 27.41 27.44 2c3y h HIS 150 CO -0.01 0.01 -0.04 -0.44 -0.00 0.00 0.00 177.93 177.45 2c3y h ASP 151 N -0.71 -0.10 0.13 3.26 3.32 -1.11 -2.55 116.42 118.66 2c3y h ASP 151 Ca -0.04 0.01 -0.07 0.00 0.02 0.00 0.00 57.03 56.96 2c3y h ASP 151 Cb 0.48 0.04 -0.01 0.00 0.22 0.00 0.00 39.33 40.06 2c3y h ASP 151 CO 0.06 -0.06 -0.25 0.24 -1.72 0.00 0.00 179.24 177.51 2c3y h MET 152 N -0.07 0.22 -0.79 3.56 2.86 -0.44 -1.44 114.93 118.83 2c3y h MET 152 Ca 0.01 -0.07 -0.01 0.00 -2.06 0.00 0.00 59.70 57.57 2c3y h MET 152 Cb 0.08 -0.02 -0.04 0.00 0.06 0.00 0.00 31.60 31.69 2c3y h MET 152 CO -0.03 0.46 0.44 0.00 1.06 0.00 0.00 176.91 178.85 2c3y h ALA 153 N 1.55 1.01 -0.08 6.32 0.00 -1.06 0.27 119.26 127.26 2c3y h ALA 153 Ca 0.03 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 54.82 2c3y h ALA 153 Cb 0.56 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 18.03 2c3y h ALA 153 CO 0.04 0.50 -0.01 1.25 0.00 0.00 0.00 179.25 181.03 2c3y h LEU 154 N 1.08 0.14 -0.88 0.00 6.46 -1.03 -2.49 115.31 118.59 2c3y h LEU 154 Ca 0.28 -0.35 0.06 0.00 -0.12 0.00 0.00 57.88 57.74 2c3y h LEU 154 Cb 0.01 -0.04 -0.06 0.00 -0.73 0.00 0.00 40.66 39.84 2c3y h LEU 154 CO -0.05 0.46 0.55 0.58 -0.62 0.00 0.00 178.44 179.37 2c3y h VAL 155 N -0.18 1.07 -0.18 1.05 2.07 -1.07 -1.53 116.25 117.49 2c3y h VAL 155 Ca 0.02 -0.35 0.02 0.00 0.82 0.00 0.00 66.70 67.21 2c3y h VAL 155 Cb 0.39 -0.05 -0.02 0.00 -1.52 0.00 0.00 31.29 30.10 2c3y h VAL 155 CO 0.01 0.19 0.06 0.00 0.02 0.00 0.00 177.57 177.84 2c3y h ALA 156 N 1.40 0.20 -0.17 1.67 0.00 -0.80 0.13 119.26 121.69 2c3y h ALA 156 Ca 0.38 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.29 2c3y h ALA 156 Cb 0.13 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 2c3y h ALA 156 CO -0.16 -0.37 0.04 0.45 0.00 0.00 0.00 179.25 179.21 2c3y h HIS 157 N 0.15 0.29 -0.36 0.00 -0.00 -1.15 0.33 115.15 114.41 2c3y h HIS 157 Ca 0.08 -0.03 0.00 0.00 -0.00 0.00 0.00 60.37 60.42 2c3y h HIS 157 Cb 0.05 -0.08 -0.02 0.00 -0.00 0.00 0.00 27.41 27.36 2c3y h HIS 157 CO -0.12 0.40 0.23 -0.07 -0.00 0.00 0.00 177.93 178.37 2c3y h LEU 158 N 0.09 0.42 -0.63 2.43 3.38 -1.15 -2.14 115.31 117.70 2c3y h LEU 158 Ca 0.05 -0.03 -0.09 0.00 0.09 0.00 0.00 57.88 57.91 2c3y h LEU 158 Cb 0.25 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 40.88 2c3y h LEU 158 CO 0.00 0.32 0.03 0.00 0.09 0.00 0.00 178.44 178.88 2c3y h ALA 159 N 1.12 0.85 -0.41 1.53 0.00 -0.68 -2.19 119.26 119.47 2c3y h ALA 159 Ca 0.13 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.74 2c3y h ALA 159 Cb -0.04 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.50 2c3y h ALA 159 CO -0.03 0.67 0.27 0.00 0.00 0.00 0.00 179.25 180.17 2c3y h ALA 160 N 1.01 0.52 -0.44 0.00 0.00 -0.71 0.23 119.26 119.88 2c3y h ALA 160 Ca 0.18 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.06 2c3y h ALA 160 Cb 0.53 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.13 2c3y h ALA 160 CO 0.03 -0.02 0.28 0.82 0.00 0.00 0.00 179.25 180.36 2c3y h ILE 161 N 0.55 1.12 0.03 0.00 2.04 -1.26 0.32 117.51 120.32 2c3y h ILE 161 Ca 0.15 -0.25 -0.25 0.00 1.00 0.00 0.00 64.86 65.51 2c3y h ILE 161 Cb -0.05 0.51 0.01 0.00 -0.74 0.00 0.00 36.82 36.55 2c3y h ILE 161 CO -0.03 0.12 -1.05 -0.08 0.00 0.00 0.00 178.15 177.11 2c3y h GLU 162 N 0.59 0.50 0.00 2.37 4.81 -1.14 -3.35 114.58 118.35 2c3y h GLU 162 Ca 0.16 -0.59 -0.06 0.00 -0.13 0.00 0.00 59.36 58.74 2c3y h GLU 162 Cb -0.04 0.18 -0.01 0.00 0.63 0.00 0.00 28.75 29.51 2c3y h GLU 162 CO -0.03 1.22 -0.80 0.66 -0.73 0.00 0.00 179.01 179.33 2c3y h SER 163 N 0.26 0.00 -0.32 1.04 4.64 -0.50 -3.48 113.55 115.19 2c3y h SER 163 Ca -0.12 0.00 -0.14 0.00 -0.47 0.00 0.00 61.79 61.07 2c3y h SER 163 Cb 1.71 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 63.74 2c3y h SER 163 CO 0.19 0.25 -0.13 0.59 -0.87 0.00 0.00 176.83 176.87 2c3y n ASN 164 N -2.93 -4.15 -4.32 4.97 4.13 0.10 -4.94 115.26 108.12 2c3y n ASN 164 Ca -0.01 0.17 -0.34 0.00 1.68 0.00 0.00 54.58 56.08 2c3y n ASN 164 Cb 0.66 -2.24 -0.14 0.00 -1.54 0.00 0.00 39.78 36.51 2c3y n ASN 164 CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 2c3y s VAL 165 N -2.14 3.03 0.51 2.41 1.01 -1.24 -3.26 120.40 120.72 2c3y s VAL 165 Ca 0.00 -0.64 -0.22 0.00 0.00 0.00 0.00 61.98 61.12 2c3y s VAL 165 Cb 0.00 -2.31 -0.06 0.00 0.00 0.00 0.00 36.38 34.01 2c3y s VAL 165 CO 0.00 0.49 1.27 -2.16 0.00 0.00 0.00 175.10 174.70 2c3y s PRO 166 N 0.87 3.41 0.07 2.72 0.04 -1.07 -4.36 135.00 136.67 2c3y s PRO 166 Ca -0.03 2.02 0.07 0.00 0.04 0.00 0.00 61.00 63.10 2c3y s PRO 166 Cb -0.15 -2.31 -0.04 0.00 0.04 0.00 0.00 34.50 32.04 2c3y s PRO 166 CO 0.00 -0.91 -0.17 -0.06 0.04 0.00 0.00 177.00 175.90 2c3y s PHE 167 N -1.42 2.59 -0.33 0.56 0.40 0.26 -0.71 117.98 119.32 2c3y s PHE 167 Ca 0.68 -0.24 0.02 0.00 -0.60 0.00 0.00 56.93 56.79 2c3y s PHE 167 Cb -0.35 -1.43 0.09 0.00 0.51 0.00 0.00 43.02 41.84 2c3y s PHE 167 CO 0.42 0.32 0.04 1.41 0.70 0.00 0.00 175.22 178.11 2c3y s MET 168 N -1.75 1.84 -0.26 0.44 -2.45 0.79 -0.38 119.30 117.53 2c3y s MET 168 Ca 0.16 -1.69 -0.16 0.00 -1.25 0.00 0.00 55.69 52.75 2c3y s MET 168 Cb -0.11 -3.21 -0.03 0.00 1.25 0.00 0.00 34.83 32.73 2c3y s MET 168 CO 0.08 -0.85 0.43 -1.58 1.05 0.00 0.00 175.02 174.15 2c3y s HIS 169 N 1.03 3.27 0.11 4.11 2.46 0.27 -1.36 115.29 125.17 2c3y s HIS 169 Ca 0.05 0.52 0.05 0.00 0.47 0.00 0.00 55.06 56.15 2c3y s HIS 169 Cb -0.20 -2.63 -0.04 0.00 -0.13 0.00 0.00 32.58 29.59 2c3y s HIS 169 CO -0.06 -0.23 -0.13 -0.59 -2.47 0.00 0.00 174.74 171.27 2c3y s PHE 170 N 2.09 1.26 0.00 3.88 -0.12 -0.67 -0.88 117.98 123.54 2c3y s PHE 170 Ca 0.18 -0.58 -0.10 0.00 -0.05 0.00 0.00 56.93 56.38 2c3y s PHE 170 Cb -0.16 -0.67 0.01 0.00 -0.63 0.00 0.00 43.02 41.57 2c3y s PHE 170 CO 0.09 0.08 0.20 -0.59 -0.05 0.00 0.00 175.22 174.96 2c3y s PHE 171 N -2.15 -0.03 0.12 3.49 -0.12 -0.84 -1.78 117.98 116.66 2c3y s PHE 171 Ca 0.06 -0.03 -0.33 0.00 -0.05 0.00 0.00 56.93 56.58 2c3y s PHE 171 Cb -0.05 0.00 -0.13 0.00 -0.63 0.00 0.00 43.02 42.22 2c3y s PHE 171 CO 0.02 -0.35 1.68 -0.25 -0.05 0.00 0.00 175.22 176.28 2c3y n ASP 172 N 1.26 3.39 -4.71 1.98 10.43 -1.26 -1.08 116.55 126.56 2c3y n ASP 172 Ca -0.22 1.05 -0.43 0.00 2.57 0.00 0.00 54.79 57.76 2c3y n ASP 172 Cb 0.56 -1.45 -0.03 0.00 1.84 0.00 0.00 41.12 42.04 2c3y n ASP 172 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 2c3y n GLY 173 N 3.76 1.48 5.00 0.44 0.00 -0.12 -1.71 105.19 114.04 2c3y n GLY 173 Ca 0.18 0.63 0.00 0.00 0.00 0.00 0.00 46.02 46.83 2c3y n GLY 173 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2c3y n PHE 174 N 4.02 0.00 -0.24 1.61 3.72 -1.26 -3.14 117.46 122.17 2c3y n PHE 174 Ca 0.16 0.00 0.28 0.00 -0.05 0.00 0.00 57.45 57.85 2c3y n PHE 174 Cb 0.34 0.00 0.68 0.00 -0.94 0.00 0.00 39.48 39.56 2c3y n PHE 174 CO 0.00 0.00 0.00 -0.09 -0.05 0.00 0.00 176.76 176.62 2c3y h ARG 175 N 0.00 0.10 0.00 -1.08 9.65 -1.95 -0.09 114.38 121.01 2c3y h ARG 175 Ca 0.00 -0.01 -0.01 0.00 -1.10 0.00 0.00 59.98 58.87 2c3y h ARG 175 Cb 0.00 -0.02 -0.00 0.00 -1.39 0.00 0.00 29.97 28.56 2c3y h ARG 175 CO 0.00 0.06 -1.03 2.41 2.80 0.00 0.00 179.97 184.22 2c3y n THR 176 N -4.32 0.03 -0.07 0.20 -1.04 -0.69 -4.33 114.28 104.05 2c3y n THR 176 Ca 0.21 -0.01 0.01 0.00 -2.04 0.00 0.00 64.05 62.22 2c3y n THR 176 Cb 0.99 -0.59 0.31 0.00 -1.82 0.00 0.00 70.33 69.22 2c3y n THR 176 CO 0.00 0.00 0.00 0.77 -0.64 0.00 0.00 175.07 175.20 2c3y h SER 177 N -0.00 0.62 -0.15 8.00 4.64 -1.33 -2.22 113.55 123.11 2c3y h SER 177 Ca -0.01 -0.06 0.00 0.00 -0.47 0.00 0.00 61.79 61.25 2c3y h SER 177 Cb 1.02 -0.16 0.00 0.00 -0.31 0.00 0.00 62.40 62.95 2c3y h SER 177 CO -0.00 0.54 0.00 1.41 -0.87 0.00 0.00 176.83 177.91 2c3y n HIS 178 N -4.37 0.19 -2.94 4.77 8.25 -0.06 -1.97 115.22 119.08 2c3y n HIS 178 Ca 0.04 -0.20 -0.40 0.00 -0.26 0.00 0.00 57.72 56.90 2c3y n HIS 178 Cb 0.13 -0.01 -0.05 0.00 1.12 0.00 0.00 29.99 31.18 2c3y n HIS 178 CO 0.00 0.00 0.00 -2.00 0.64 0.00 0.00 176.34 174.98 2c3y s GLU 179 N -0.97 4.54 -0.18 -0.41 2.12 -1.11 -4.73 118.70 117.97 2c3y s GLU 179 Ca 0.17 1.15 -0.09 0.00 0.36 0.00 0.00 54.97 56.56 2c3y s GLU 179 Cb 0.11 -3.35 -0.05 0.00 0.26 0.00 0.00 34.13 31.10 2c3y s GLU 179 CO 0.15 0.32 0.14 -1.50 -0.54 0.00 0.00 175.26 173.83 2c3y s ILE 180 N -0.23 5.43 0.03 -3.70 1.10 0.00 -3.23 121.20 120.61 2c3y s ILE 180 Ca 0.39 0.21 -0.07 0.00 -0.51 0.00 0.00 60.65 60.68 2c3y s ILE 180 Cb -0.21 -3.46 -0.00 0.00 0.15 0.00 0.00 42.46 38.93 2c3y s ILE 180 CO 0.25 0.49 0.13 -1.10 -2.11 0.00 0.00 174.94 172.60 2c3y s GLN 181 N -0.03 0.59 -0.22 3.50 -1.52 -0.55 -0.85 119.66 120.58 2c3y s GLN 181 Ca 0.10 -0.65 -0.25 0.00 -1.95 0.00 0.00 55.36 52.62 2c3y s GLN 181 Cb -0.11 0.24 -0.01 0.00 -0.22 0.00 0.00 33.01 32.91 2c3y s GLN 181 CO -0.00 -0.15 0.84 0.21 -0.25 0.00 0.00 175.29 175.94 2c3y s LYS 182 N -2.34 4.23 0.34 2.91 2.20 -1.05 -1.97 119.74 124.05 2c3y s LYS 182 Ca -0.07 0.99 0.05 0.00 -0.36 0.00 0.00 55.97 56.58 2c3y s LYS 182 Cb -0.03 -3.62 -0.03 0.00 -1.51 0.00 0.00 37.83 32.64 2c3y s LYS 182 CO -0.03 -0.46 0.21 0.96 -0.36 0.00 0.00 175.35 175.67 2c3y s ILE 183 N 2.63 0.21 -0.10 5.43 -4.36 0.16 -4.85 121.20 120.32 2c3y s ILE 183 Ca 0.36 -2.00 0.02 0.00 -0.26 0.00 0.00 60.65 58.77 2c3y s ILE 183 Cb -0.16 -2.46 -0.02 0.00 1.25 0.00 0.00 42.46 41.08 2c3y s ILE 183 CO 0.09 0.00 -0.16 -1.83 0.24 0.00 0.00 174.94 173.28 2c3y s GLU 184 N -3.62 3.08 0.20 0.37 4.04 -1.26 -0.37 118.70 121.14 2c3y s GLU 184 Ca 0.35 -0.73 0.11 0.00 0.04 0.00 0.00 54.97 54.74 2c3y s GLU 184 Cb 0.03 -2.49 -0.04 0.00 0.02 0.00 0.00 34.13 31.64 2c3y s GLU 184 CO 0.21 0.32 -0.23 0.14 -1.84 0.00 0.00 175.26 173.86 2c3y s VAL 185 N 0.06 2.37 0.33 1.83 -7.23 -0.20 -4.92 120.40 112.65 2c3y s VAL 185 Ca -0.06 -2.08 -0.05 0.00 -1.81 0.00 0.00 61.98 57.98 2c3y s VAL 185 Cb -0.15 -2.15 -0.05 0.00 0.56 0.00 0.00 36.38 34.59 2c3y s VAL 185 CO 0.05 -0.15 0.60 -0.76 -0.31 0.00 0.00 175.10 174.53 2c3y s LEU 186 N -2.77 3.98 0.70 1.32 1.43 -1.26 -1.70 118.68 120.38 2c3y s LEU 186 Ca 0.22 0.75 -0.12 0.00 -1.03 0.00 0.00 54.13 53.94 2c3y s LEU 186 Cb -0.08 -3.59 0.02 0.00 0.03 0.00 0.00 46.19 42.57 2c3y s LEU 186 CO 0.10 -0.28 1.08 -1.81 0.23 0.00 0.00 176.35 175.68 2c3y s ASP 187 N -3.40 5.08 0.36 2.29 1.01 -0.48 -4.92 116.67 116.61 2c3y s ASP 187 Ca 0.45 1.78 0.12 0.00 0.71 0.00 0.00 52.55 55.61 2c3y s ASP 187 Cb -0.10 -2.52 0.69 0.00 1.01 0.00 0.00 42.92 42.00 2c3y s ASP 187 CO 0.33 -1.65 1.81 1.88 0.21 0.00 0.00 175.17 177.75 2c3y h TYR 188 N -0.58 0.03 -0.56 4.23 -1.99 -1.97 -2.41 116.97 113.72 2c3y h TYR 188 Ca -0.45 -0.01 -0.06 0.00 2.00 0.00 0.00 58.73 60.22 2c3y h TYR 188 Cb 1.22 -0.01 -0.02 0.00 2.00 0.00 0.00 36.73 39.92 2c3y h TYR 188 CO 0.59 0.40 0.11 0.00 -0.00 0.00 0.00 178.16 179.25 2c3y h ALA 189 N 1.60 1.14 -0.22 3.88 0.00 -1.97 -1.02 119.26 122.68 2c3y h ALA 189 Ca -0.00 -0.23 -0.02 0.00 0.00 0.00 0.00 54.91 54.66 2c3y h ALA 189 Cb 0.67 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 2c3y h ALA 189 CO 0.05 0.57 0.07 -0.44 0.00 0.00 0.00 179.25 179.50 2c3y h ASP 190 N 0.84 0.32 -0.61 0.00 5.19 -1.79 -2.41 116.42 117.95 2c3y h ASP 190 Ca 0.18 -0.21 0.02 0.00 -0.62 0.00 0.00 57.03 56.40 2c3y h ASP 190 Cb 0.35 -0.08 -0.04 0.00 0.18 0.00 0.00 39.33 39.74 2c3y h ASP 190 CO 0.00 0.44 0.39 0.24 -3.12 0.00 0.00 179.24 177.19 2c3y h MET 191 N 0.18 0.75 -0.84 3.56 2.86 -1.21 -2.38 114.93 117.86 2c3y h MET 191 Ca 0.07 -0.05 0.08 0.00 -2.06 0.00 0.00 59.70 57.74 2c3y h MET 191 Cb 0.24 -0.17 -0.06 0.00 0.06 0.00 0.00 31.60 31.67 2c3y h MET 191 CO -0.00 0.50 0.54 0.00 1.06 0.00 0.00 176.91 179.01 2c3y h ALA 192 N 1.25 1.64 0.00 6.32 0.00 -1.01 -1.84 119.26 125.63 2c3y h ALA 192 Ca 0.24 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.13 2c3y h ALA 192 Cb -0.03 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.55 2c3y h ALA 192 CO -0.08 0.21 0.00 0.66 0.00 0.00 0.00 179.25 180.04 2c3y h SER 193 N 0.86 0.00 0.43 0.00 4.64 -0.91 -2.82 113.55 115.75 2c3y h SER 193 Ca 0.37 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.69 2c3y h SER 193 Cb 0.32 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.41 2c3y h SER 193 CO -0.14 0.00 -0.80 0.18 -0.87 0.00 0.00 176.83 175.19 2c3y n LEU 194 N -2.54 0.64 -4.75 5.97 7.99 -0.69 -4.94 117.00 118.68 2c3y n LEU 194 Ca 0.01 -0.06 -0.41 0.00 -0.01 0.00 0.00 56.01 55.53 2c3y n LEU 194 Cb 0.21 -0.14 -0.02 0.00 -0.11 0.00 0.00 43.42 43.36 2c3y n LEU 194 CO 0.20 0.09 1.16 -0.69 -1.51 0.00 0.00 177.39 176.65 2c3y s VAL 195 N -3.10 2.34 -0.69 4.08 1.01 -1.07 -4.92 120.40 118.06 2c3y s VAL 195 Ca 0.07 0.30 -0.27 0.00 0.00 0.00 0.00 61.98 62.08 2c3y s VAL 195 Cb 0.16 -3.19 0.04 0.00 0.00 0.00 0.00 36.38 33.38 2c3y s VAL 195 CO 0.77 0.05 1.21 0.21 0.00 0.00 0.00 175.10 177.34 2c3y s ASN 196 N 0.33 6.22 0.31 3.32 3.84 -1.26 -4.87 114.94 122.83 2c3y s ASN 196 Ca 0.60 -0.41 -0.01 0.00 0.21 0.00 0.00 52.86 53.25 2c3y s ASN 196 Cb -0.45 -2.54 0.47 0.00 -0.55 0.00 0.00 41.25 38.18 2c3y s ASN 196 CO 0.48 -1.70 1.97 1.56 -2.79 0.00 0.00 177.10 176.61 2c3y h GLN 197 N 9.85 1.03 -0.08 0.43 1.08 -1.96 -1.18 115.11 124.30 2c3y h GLN 197 Ca -0.27 -0.07 0.01 0.00 -1.45 0.00 0.00 58.65 56.86 2c3y h GLN 197 Cb 1.05 -0.23 -0.01 0.00 -0.05 0.00 0.00 27.48 28.25 2c3y h GLN 197 CO 1.24 0.70 0.03 0.87 -0.95 0.00 0.00 178.83 180.72 2c3y h LYS 198 N 1.06 0.07 -0.38 1.46 6.56 -1.99 -0.58 116.57 122.77 2c3y h LYS 198 Ca 0.28 -0.00 -0.02 0.00 -1.06 0.00 0.00 60.65 59.85 2c3y h LYS 198 Cb -0.10 -0.02 -0.02 0.00 -0.57 0.00 0.00 32.23 31.53 2c3y h LYS 198 CO -0.06 0.04 0.17 0.00 -2.06 0.00 0.00 179.45 177.55 2c3y h ALA 199 N 1.04 0.49 -0.90 3.86 0.00 -1.81 -1.37 119.26 120.57 2c3y h ALA 199 Ca 0.03 -0.12 0.04 0.00 0.00 0.00 0.00 54.91 54.86 2c3y h ALA 199 Cb 0.01 -0.15 -0.05 0.00 0.00 0.00 0.00 17.79 17.60 2c3y h ALA 199 CO -0.03 0.07 0.58 1.25 0.00 0.00 0.00 179.25 181.12 2c3y h LEU 200 N 0.47 0.97 -0.53 0.00 5.85 -0.98 0.11 115.31 121.20 2c3y h LEU 200 Ca 0.13 -0.01 -0.09 0.00 0.84 0.00 0.00 57.88 58.75 2c3y h LEU 200 Cb 0.14 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 40.94 2c3y h LEU 200 CO -0.01 0.66 -0.04 0.00 -0.34 0.00 0.00 178.44 178.71 2c3y h ALA 201 N 1.38 0.71 -0.68 1.25 0.00 -0.86 -2.08 119.26 118.98 2c3y h ALA 201 Ca 0.36 -0.31 -0.02 0.00 0.00 0.00 0.00 54.91 54.94 2c3y h ALA 201 Cb 0.02 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.58 2c3y h ALA 201 CO -0.12 0.57 0.36 0.93 0.00 0.00 0.00 179.25 180.98 2c3y h GLU 202 N 0.83 0.95 0.02 0.00 5.08 -0.30 -1.23 114.58 119.91 2c3y h GLU 202 Ca 0.14 -0.11 -0.00 0.00 -1.00 0.00 0.00 59.36 58.40 2c3y h GLU 202 Cb 0.58 -0.19 0.00 0.00 0.50 0.00 0.00 28.75 29.64 2c3y h GLU 202 CO 0.03 0.71 -0.01 0.35 -1.00 0.00 0.00 179.01 179.09 2c3y h PHE 203 N 0.95 -0.02 -0.23 4.33 3.57 -0.39 -1.86 116.94 123.30 2c3y h PHE 203 Ca 0.24 -0.00 0.01 0.00 3.53 0.00 0.00 57.97 61.75 2c3y h PHE 203 Cb 0.05 0.01 -0.02 0.00 2.79 0.00 0.00 35.95 38.78 2c3y h PHE 203 CO 0.01 0.01 0.11 0.00 -2.23 0.00 0.00 178.31 176.21 2c3y h ARG 204 N -0.04 0.24 0.00 1.11 2.47 -0.98 -2.92 114.38 114.26 2c3y h ARG 204 Ca -0.00 -0.01 -0.03 0.00 -1.26 0.00 0.00 59.98 58.68 2c3y h ARG 204 Cb 0.04 -0.05 -0.00 0.00 -1.65 0.00 0.00 29.97 28.30 2c3y h ARG 204 CO 0.00 0.16 -0.13 0.00 0.56 0.00 0.00 179.97 180.56 2c3y h ALA 205 N 1.11 1.77 -0.01 0.04 0.00 -1.08 -2.71 119.26 118.39 2c3y h ALA 205 Ca 0.09 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.88 2c3y h ALA 205 Cb 0.02 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.79 2c3y h ALA 205 CO -0.06 0.16 -0.30 0.36 0.00 0.00 0.00 179.25 179.42 2c3y n LYS 206 N -4.36 0.87 -1.46 0.00 2.85 -0.71 -4.95 118.16 110.38 2c3y n LYS 206 Ca -0.03 -0.55 -0.30 0.00 -1.05 0.00 0.00 58.31 56.38 2c3y n LYS 206 Cb 0.20 -1.49 0.09 0.00 -0.65 0.00 0.00 35.03 33.18 2c3y n LYS 206 CO 0.00 0.00 0.00 -1.12 -0.05 0.00 0.00 177.40 176.23 2c3y s SER 207 N -2.51 4.52 0.29 -5.58 0.01 -1.02 -4.98 113.70 104.43 2c3y s SER 207 Ca 0.23 1.47 -0.30 0.00 1.31 0.00 0.00 55.95 58.66 2c3y s SER 207 Cb 0.19 -2.23 -0.12 0.00 0.21 0.00 0.00 66.02 64.08 2c3y s SER 207 CO 0.53 -1.97 1.57 0.23 0.41 0.00 0.00 173.24 174.01 2c3y n MET 208 N -3.45 2.62 -3.45 12.44 2.81 0.32 -4.93 117.12 123.47 2c3y n MET 208 Ca 0.07 0.93 0.01 0.00 -1.81 0.00 0.00 57.70 56.91 2c3y n MET 208 Cb 0.55 -2.70 -0.05 0.00 -0.71 0.00 0.00 33.22 30.31 2c3y n MET 208 CO 0.00 0.00 0.00 1.21 1.51 0.00 0.00 175.97 178.69 2c3y s ASN 209 N 0.46 -0.33 0.51 7.83 3.84 -1.26 -4.75 114.94 121.23 2c3y s ASN 209 Ca 0.64 0.48 0.30 0.00 0.21 0.00 0.00 52.86 54.50 2c3y s ASN 209 Cb -0.52 1.29 1.65 0.00 -0.55 0.00 0.00 41.25 43.12 2c3y s ASN 209 CO 0.49 -0.07 1.91 1.55 -2.79 0.00 0.00 177.10 178.19 2c3y h PRO 210 N 6.60 0.00 0.00 0.43 0.13 -1.98 -0.21 132.00 136.97 2c3y h PRO 210 Ca -0.20 0.00 -0.10 0.00 -0.87 0.00 0.00 66.00 64.83 2c3y h PRO 210 Cb 1.14 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.26 2c3y h PRO 210 CO 0.13 0.00 -0.47 0.93 -0.23 0.00 0.00 178.00 178.36 2c3y h GLU 211 N 0.00 0.00 -0.87 0.86 3.07 -1.99 -3.36 114.58 112.30 2c3y h GLU 211 Ca 0.00 0.00 -0.35 0.00 -0.50 0.00 0.00 59.36 58.51 2c3y h GLU 211 Cb 0.21 0.00 -0.24 0.00 -0.84 0.00 0.00 28.75 27.88 2c3y h GLU 211 CO 0.00 0.47 -0.72 -2.39 -1.40 0.00 0.00 179.01 174.97 2c3y n HIS 212 N -3.81 -2.28 -1.45 4.33 1.44 -0.21 -5.15 115.22 108.09 2c3y n HIS 212 Ca -0.01 -2.40 -0.30 0.00 -2.01 0.00 0.00 57.72 52.99 2c3y n HIS 212 Cb 0.52 0.86 0.08 0.00 0.12 0.00 0.00 29.99 31.57 2c3y n HIS 212 CO 0.00 0.00 0.00 -1.25 -2.81 0.00 0.00 176.34 172.28 2c3y s PRO 213 N 0.05 2.30 0.31 -1.40 0.04 -0.52 -4.51 135.00 131.27 2c3y s PRO 213 Ca 0.33 0.88 -0.12 0.00 0.04 0.00 0.00 61.00 62.12 2c3y s PRO 213 Cb 0.18 -1.92 0.01 0.00 0.04 0.00 0.00 34.50 32.81 2c3y s PRO 213 CO -0.18 -1.53 0.59 -3.38 0.04 0.00 0.00 177.00 172.53 2c3y s HIS 214 N -3.04 0.38 -0.07 0.56 -3.43 -1.26 -5.04 115.29 103.39 2c3y s HIS 214 Ca 0.60 -0.80 0.04 0.00 -0.80 0.00 0.00 55.06 54.10 2c3y s HIS 214 Cb -0.15 0.36 -0.02 0.00 -1.43 0.00 0.00 32.58 31.34 2c3y s HIS 214 CO 0.55 -1.20 -0.19 0.54 -2.00 0.00 0.00 174.74 172.44 2c3y s VAL 215 N -3.40 2.54 0.12 -5.38 0.11 -1.26 -5.01 120.40 108.12 2c3y s VAL 215 Ca 0.21 -0.88 0.07 0.00 -2.93 0.00 0.00 61.98 58.45 2c3y s VAL 215 Cb -0.02 -1.98 -0.04 0.00 -1.53 0.00 0.00 36.38 32.81 2c3y s VAL 215 CO 0.12 0.56 -0.17 0.00 -3.33 0.00 0.00 175.10 172.28 2c3y s ARG 216 N -0.17 1.08 -0.20 1.54 1.70 -1.26 -4.84 118.95 116.80 2c3y s ARG 216 Ca -0.02 -1.21 -0.00 0.00 -0.47 0.00 0.00 55.73 54.03 2c3y s ARG 216 Cb -0.14 -1.15 0.00 0.00 -0.57 0.00 0.00 34.95 33.10 2c3y s ARG 216 CO 0.04 0.25 0.17 0.41 -1.08 0.00 0.00 175.30 175.08 2c3y n GLY 217 N 0.78 0.36 3.90 3.88 0.00 -1.26 -5.05 105.19 107.80 2c3y n GLY 217 Ca -0.17 -0.40 -0.29 0.00 0.00 0.00 0.00 46.02 45.16 2c3y n GLY 217 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2c3y s THR 218 N -3.06 2.74 -0.19 2.61 -4.23 -1.26 -5.06 115.64 107.19 2c3y s THR 218 Ca 0.01 0.15 -0.06 0.00 -1.18 0.00 0.00 61.69 60.61 2c3y s THR 218 Cb -0.01 -3.22 -0.03 0.00 1.34 0.00 0.00 72.50 70.58 2c3y s THR 218 CO 0.12 -0.28 0.04 0.00 -0.54 0.00 0.00 174.62 173.96 2c3y s ALA 219 N -3.41 3.24 0.06 3.99 0.00 -1.26 -5.10 121.76 119.28 2c3y s ALA 219 Ca 0.60 -0.87 0.09 0.00 0.00 0.00 0.00 51.96 51.77 2c3y s ALA 219 Cb -0.11 -1.87 -0.03 0.00 0.00 0.00 0.00 23.12 21.11 2c3y s ALA 219 CO 0.49 0.01 -0.24 -0.65 0.00 0.00 0.00 175.76 175.37 2c3y s GLN 220 N 0.71 1.53 0.78 0.00 -0.21 -1.26 -5.14 119.66 116.07 2c3y s GLN 220 Ca 0.02 -1.08 -0.06 0.00 0.02 0.00 0.00 55.36 54.25 2c3y s GLN 220 Cb -0.14 -1.74 0.13 0.00 1.00 0.00 0.00 33.01 32.27 2c3y s GLN 220 CO 0.02 0.44 1.09 -0.80 -2.12 0.00 0.00 175.29 173.92 2c3y s ASN 221 N -1.38 4.10 0.61 5.90 0.02 -1.26 -4.79 114.94 118.14 2c3y s ASN 221 Ca 0.10 -0.01 0.36 0.00 -1.02 0.00 0.00 52.86 52.29 2c3y s ASN 221 Cb -0.10 -0.34 2.01 0.00 0.02 0.00 0.00 41.25 42.84 2c3y s ASN 221 CO 0.03 -2.05 2.27 -0.65 0.02 0.00 0.00 177.10 176.72 2c3y h PRO 222 N -0.85 0.00 -0.07 -0.60 0.11 -2.01 -2.31 132.00 126.27 2c3y h PRO 222 Ca -0.40 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.67 2c3y h PRO 222 Cb 1.27 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.37 2c3y h PRO 222 CO 0.44 0.01 -0.11 0.38 -0.21 0.00 0.00 178.00 178.51 2c3y h ASP 223 N 0.00 0.09 0.00 -2.05 3.04 -2.05 -3.38 116.42 112.07 2c3y h ASP 223 Ca -0.00 -0.01 0.00 0.00 -3.24 0.00 0.00 57.03 53.78 2c3y h ASP 223 Cb 0.06 -0.02 0.00 0.00 -1.04 0.00 0.00 39.33 38.33 2c3y h ASP 223 CO 0.00 0.22 0.00 2.30 -2.04 0.00 0.00 179.24 179.72 2c3y n ILE 224 N -4.36 0.00 -0.08 4.15 -5.35 -1.04 -4.88 119.36 107.81 2c3y n ILE 224 Ca -0.02 -0.16 -0.07 0.00 -0.27 0.00 0.00 62.75 62.23 2c3y n ILE 224 Cb 0.21 1.04 -0.00 0.00 -1.74 0.00 0.00 39.64 39.15 2c3y n ILE 224 CO 0.00 0.00 0.00 0.22 -1.76 0.00 0.00 176.55 175.01 2c3y h TYR 225 N 0.00 -0.04 -0.44 4.28 3.20 -1.60 -1.59 116.97 120.78 2c3y h TYR 225 Ca 0.00 0.02 0.04 0.00 3.14 0.00 0.00 58.73 61.94 2c3y h TYR 225 Cb 0.02 0.06 -0.04 0.00 1.54 0.00 0.00 36.73 38.31 2c3y h TYR 225 CO 0.00 -0.06 0.20 0.35 -1.64 0.00 0.00 178.16 177.01 2c3y h PHE 226 N 0.07 0.36 -0.82 -3.82 -0.00 -1.86 -0.15 116.94 110.73 2c3y h PHE 226 Ca 0.14 0.02 -0.03 0.00 -0.00 0.00 0.00 57.97 58.10 2c3y h PHE 226 Cb 0.19 -0.10 -0.04 0.00 -0.00 0.00 0.00 35.95 36.01 2c3y h PHE 226 CO -0.23 0.17 0.38 1.96 -0.00 0.00 0.00 178.31 180.59 2c3y h GLN 227 N 0.40 1.19 -0.32 1.11 7.50 -1.84 -2.37 115.11 120.78 2c3y h GLN 227 Ca 0.20 -0.18 -0.07 0.00 0.50 0.00 0.00 58.65 59.10 2c3y h GLN 227 Cb 0.14 -0.21 -0.02 0.00 0.05 0.00 0.00 27.48 27.44 2c3y h GLN 227 CO -0.16 0.93 -0.09 0.78 -1.50 0.00 0.00 178.83 178.79 2c3y h GLY 228 N 1.19 0.58 1.43 3.46 0.00 -0.51 -2.12 103.07 107.10 2c3y h GLY 228 Ca 0.28 -0.39 -0.10 0.00 0.00 0.00 0.00 47.33 47.12 2c3y h GLY 228 CO -0.03 0.36 -0.21 -0.09 0.00 0.00 0.00 176.54 176.56 2c3y h ARG 229 N 0.50 0.67 0.00 4.80 9.65 -0.56 -3.10 114.38 126.33 2c3y h ARG 229 Ca 0.10 -0.25 0.00 0.00 -1.10 0.00 0.00 59.98 58.72 2c3y h ARG 229 Cb 0.46 -0.04 0.00 0.00 -1.39 0.00 0.00 29.97 29.00 2c3y h ARG 229 CO 0.02 0.83 -0.23 0.39 2.80 0.00 0.00 179.97 183.78 2c3y n GLU 230 N -4.12 0.23 0.13 0.20 -0.58 -0.95 -4.02 120.64 111.53 2c3y n GLU 230 Ca 0.00 0.14 0.10 0.00 -0.42 0.00 0.00 57.16 56.98 2c3y n GLU 230 Cb 0.41 -1.71 0.48 0.00 -0.57 0.00 0.00 31.44 30.05 2c3y n GLU 230 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2c3y n ALA 231 N -1.75 1.23 1.23 0.62 0.00 -0.83 -1.60 120.51 119.40 2c3y n ALA 231 Ca 0.05 0.14 0.13 0.00 0.00 0.00 0.00 53.44 53.75 2c3y n ALA 231 Cb 0.42 -1.29 0.35 0.00 0.00 0.00 0.00 19.45 18.92 2c3y n ALA 231 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2c3y n ALA 232 N -1.73 3.11 -0.31 0.00 0.00 -1.26 -4.46 120.51 115.86 2c3y n ALA 232 Ca -0.00 -0.43 0.08 0.00 0.00 0.00 0.00 53.44 53.09 2c3y n ALA 232 Cb 0.09 -1.10 0.19 0.00 0.00 0.00 0.00 19.45 18.62 2c3y n ALA 232 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.50 176.59 2c3y h ASN 233 N 1.34 -0.55 -0.88 0.00 -0.26 -1.58 -0.21 115.58 113.44 2c3y h ASN 233 Ca 0.00 0.25 0.12 0.00 -0.56 0.00 0.00 56.30 56.10 2c3y h ASN 233 Cb 0.53 0.46 -0.08 0.00 -1.06 0.00 0.00 38.32 38.17 2c3y h ASN 233 CO 0.00 -0.27 0.51 -0.65 -1.06 0.00 0.00 177.43 175.95 2c3y h PRO 234 N 0.04 0.78 -0.68 0.81 0.11 -1.84 -1.48 132.00 129.75 2c3y h PRO 234 Ca 0.48 -0.05 -0.05 0.00 0.11 0.00 0.00 66.00 66.49 2c3y h PRO 234 Cb 0.86 -0.18 -0.03 0.00 0.11 0.00 0.00 31.00 31.77 2c3y h PRO 234 CO -0.84 0.52 0.23 1.88 -0.21 0.00 0.00 178.00 179.58 2c3y h TYR 235 N 0.80 1.05 -0.00 0.65 0.05 -1.35 -2.61 116.97 115.56 2c3y h TYR 235 Ca 0.44 -0.09 -0.17 0.00 0.05 0.00 0.00 58.73 58.97 2c3y h TYR 235 Cb 0.48 -0.31 -0.02 0.00 1.01 0.00 0.00 36.73 37.89 2c3y h TYR 235 CO -0.05 0.83 -0.79 1.88 -1.05 0.00 0.00 178.16 178.97 2c3y h TYR 236 N 0.99 0.07 0.00 4.88 -1.99 -1.24 -2.79 116.97 116.89 2c3y h TYR 236 Ca 0.22 -0.04 -0.07 0.00 2.00 0.00 0.00 58.73 60.84 2c3y h TYR 236 Cb 0.26 -0.01 -0.01 0.00 2.00 0.00 0.00 36.73 38.97 2c3y h TYR 236 CO 0.02 0.82 -0.34 -0.07 -0.00 0.00 0.00 178.16 178.59 2c3y h LEU 237 N 0.03 0.00 0.00 3.88 3.38 -1.03 -3.09 115.31 118.48 2c3y h LEU 237 Ca -0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.95 2c3y h LEU 237 Cb 1.39 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.14 2c3y h LEU 237 CO 0.11 0.34 -0.88 0.11 0.09 0.00 0.00 178.44 178.20 2c3y h LYS 238 N 0.00 0.00 -0.88 1.13 1.57 -1.40 -3.39 116.57 113.60 2c3y h LYS 238 Ca -0.00 0.00 0.06 0.00 -1.87 0.00 0.00 60.65 58.83 2c3y h LYS 238 Cb 0.63 0.00 -0.06 0.00 0.08 0.00 0.00 32.23 32.88 2c3y h LYS 238 CO 0.04 0.00 0.58 -0.39 -0.57 0.00 0.00 179.45 179.11 2c3y h VAL 239 N 0.00 1.08 -0.82 0.50 -1.51 -1.41 -2.39 116.25 111.70 2c3y h VAL 239 Ca 0.00 -0.35 -0.04 0.00 -1.23 0.00 0.00 66.70 65.08 2c3y h VAL 239 Cb 0.96 -0.03 -0.04 0.00 -2.13 0.00 0.00 31.29 30.05 2c3y h VAL 239 CO 0.00 0.19 0.38 -0.65 -1.23 0.00 0.00 177.57 176.25 2c3y h PRO 240 N 1.02 1.20 -0.29 5.19 0.11 -1.76 0.43 132.00 137.90 2c3y h PRO 240 Ca 0.37 -0.19 -0.11 0.00 0.11 0.00 0.00 66.00 66.19 2c3y h PRO 240 Cb 0.16 -0.21 -0.01 0.00 0.11 0.00 0.00 31.00 31.05 2c3y h PRO 240 CO -0.13 0.93 -0.27 0.78 -0.21 0.00 0.00 178.00 179.10 2c3y h GLY 241 N 1.19 0.64 0.87 -0.55 0.00 -1.75 -0.58 103.07 102.89 2c3y h GLY 241 Ca 0.28 -0.54 -0.06 0.00 0.00 0.00 0.00 47.33 47.01 2c3y h GLY 241 CO -0.03 0.50 -0.05 -2.22 0.00 0.00 0.00 176.54 174.74 2c3y h ILE 242 N 0.51 1.28 -0.47 2.60 2.04 -0.95 0.11 117.51 122.62 2c3y h ILE 242 Ca 0.07 -1.05 0.01 0.00 1.00 0.00 0.00 64.86 64.89 2c3y h ILE 242 Cb 0.73 1.39 -0.02 0.00 -0.74 0.00 0.00 36.82 38.17 2c3y h ILE 242 CO 0.06 0.33 0.31 0.58 0.00 0.00 0.00 178.15 179.43 2c3y h VAL 243 N 0.30 1.12 -0.76 1.67 2.07 -0.71 -0.61 116.25 119.33 2c3y h VAL 243 Ca 0.07 -0.22 0.00 0.00 0.82 0.00 0.00 66.70 67.38 2c3y h VAL 243 Cb 0.51 0.42 -0.04 0.00 -1.52 0.00 0.00 31.29 30.67 2c3y h VAL 243 CO 0.02 0.12 0.48 0.00 0.02 0.00 0.00 177.57 178.21 2c3y h ALA 244 N 1.17 0.97 -0.18 1.67 0.00 -0.90 -0.97 119.26 121.02 2c3y h ALA 244 Ca 0.17 -0.07 0.03 0.00 0.00 0.00 0.00 54.91 55.04 2c3y h ALA 244 Cb -0.07 -0.31 -0.03 0.00 0.00 0.00 0.00 17.79 17.38 2c3y h ALA 244 CO -0.04 0.41 0.02 1.49 0.00 0.00 0.00 179.25 181.13 2c3y h GLU 245 N 1.04 0.08 -0.02 0.00 4.81 -0.05 -2.40 114.58 118.03 2c3y h GLU 245 Ca 0.27 -0.00 -0.11 0.00 -0.13 0.00 0.00 59.36 59.39 2c3y h GLU 245 Cb -0.07 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.28 2c3y h GLU 245 CO -0.05 0.05 -0.51 1.88 -0.73 0.00 0.00 179.01 179.65 2c3y h TYR 246 N 0.08 0.07 -0.73 0.92 -1.99 -0.83 -0.83 116.97 113.67 2c3y h TYR 246 Ca 0.08 -0.02 -0.01 0.00 2.00 0.00 0.00 58.73 60.78 2c3y h TYR 246 Cb 0.09 -0.01 -0.04 0.00 2.00 0.00 0.00 36.73 38.77 2c3y h TYR 246 CO -0.15 0.55 0.44 0.52 -0.00 0.00 0.00 178.16 179.52 2c3y h MET 247 N 0.05 1.00 -0.34 4.88 2.86 -0.93 0.26 114.93 122.71 2c3y h MET 247 Ca -0.00 -0.09 -0.07 0.00 -2.06 0.00 0.00 59.70 57.48 2c3y h MET 247 Cb 0.91 -0.21 -0.01 0.00 0.06 0.00 0.00 31.60 32.35 2c3y h MET 247 CO 0.07 0.71 -0.05 1.96 1.06 0.00 0.00 176.91 180.66 2c3y h GLN 248 N 1.00 0.63 -0.45 1.72 4.20 -1.02 0.10 115.11 121.29 2c3y h GLN 248 Ca 0.26 -0.23 -0.03 0.00 0.06 0.00 0.00 58.65 58.72 2c3y h GLN 248 Cb -0.02 -0.04 -0.02 0.00 0.30 0.00 0.00 27.48 27.69 2c3y h GLN 248 CO -0.05 0.78 0.18 0.87 -0.67 0.00 0.00 178.83 179.95 2c3y h LYS 249 N 0.43 0.68 -0.67 1.46 1.57 -0.90 -1.17 116.57 117.97 2c3y h LYS 249 Ca 0.09 -0.12 -0.06 0.00 -1.87 0.00 0.00 60.65 58.69 2c3y h LYS 249 Cb 0.53 -0.11 -0.03 0.00 0.08 0.00 0.00 32.23 32.70 2c3y h LYS 249 CO 0.03 0.62 0.18 0.28 -0.57 0.00 0.00 179.45 179.98 2c3y h VAL 250 N 0.59 1.25 -0.73 0.50 2.07 -0.90 -2.76 116.25 116.28 2c3y h VAL 250 Ca 0.15 -0.90 0.02 0.00 0.82 0.00 0.00 66.70 66.79 2c3y h VAL 250 Cb 0.19 0.55 -0.04 0.00 -1.52 0.00 0.00 31.29 30.47 2c3y h VAL 250 CO -0.01 0.35 0.47 0.00 0.02 0.00 0.00 177.57 178.39 2c3y h ALA 251 N 1.19 0.95 0.00 1.67 0.00 -0.45 -0.12 119.26 122.50 2c3y h ALA 251 Ca 0.21 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.09 2c3y h ALA 251 Cb 0.32 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.85 2c3y h ALA 251 CO -0.00 0.28 0.00 -1.13 0.00 0.00 0.00 179.25 178.40 2c3y n SER 252 N -4.62 0.45 -0.08 0.00 3.41 -0.49 0.23 113.62 112.52 2c3y n SER 252 Ca 0.08 0.68 -0.08 0.00 -0.26 0.00 0.00 58.87 59.29 2c3y n SER 252 Cb 0.06 -0.75 -0.13 0.00 -0.26 0.00 0.00 64.21 63.13 2c3y n SER 252 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 2c3y n LEU 253 N -2.08 0.00 -0.06 1.04 4.77 -0.38 -4.67 117.00 115.63 2c3y n LEU 253 Ca -0.00 0.00 -0.04 0.00 -0.03 0.00 0.00 56.01 55.94 2c3y n LEU 253 Cb 0.07 0.40 -0.12 0.00 -2.33 0.00 0.00 43.42 41.44 2c3y n LEU 253 CO 0.10 0.40 -0.91 0.35 -1.33 0.00 0.00 177.39 176.00 2c3y n THR 254 N -2.60 0.78 -0.64 -5.08 -2.24 -0.20 -4.94 114.28 99.37 2c3y n THR 254 Ca -0.26 -0.56 0.00 0.00 -2.27 0.00 0.00 64.05 60.95 2c3y n THR 254 Cb 1.02 -0.45 0.00 0.00 -2.10 0.00 0.00 70.33 68.81 2c3y n THR 254 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2c3y n GLY 255 N 1.99 0.76 3.32 3.38 0.00 0.61 -5.02 105.19 110.23 2c3y n GLY 255 Ca -0.19 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.44 2c3y n GLY 255 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2c3y s ARG 256 N -0.36 2.77 0.12 1.61 0.52 -1.25 -5.02 118.95 117.34 2c3y s ARG 256 Ca 0.00 -1.09 -0.11 0.00 -0.52 0.00 0.00 55.73 54.01 2c3y s ARG 256 Cb 0.00 -3.52 -0.06 0.00 0.52 0.00 0.00 34.95 31.88 2c3y s ARG 256 CO 0.00 -0.63 0.46 -1.12 0.02 0.00 0.00 175.30 174.03 2c3y s SER 257 N 1.46 6.68 0.05 0.23 0.01 -1.26 -4.19 113.70 116.69 2c3y s SER 257 Ca 0.00 0.88 -0.01 0.00 1.31 0.00 0.00 55.95 58.13 2c3y s SER 257 Cb -0.19 -2.21 -0.04 0.00 0.21 0.00 0.00 66.02 63.79 2c3y s SER 257 CO 0.04 0.11 -0.03 -0.31 0.41 0.00 0.00 173.24 173.46 2c3y s TYR 258 N -1.49 0.47 0.18 2.43 1.51 -1.26 -5.12 117.35 114.07 2c3y s TYR 258 Ca 0.37 -0.98 0.01 0.00 -1.01 0.00 0.00 57.07 55.47 2c3y s TYR 258 Cb -0.14 -0.35 -0.05 0.00 -0.11 0.00 0.00 41.96 41.31 2c3y s TYR 258 CO 0.19 -0.35 0.02 0.15 -1.11 0.00 0.00 175.55 174.45 2c3y s LYS 259 N -3.50 1.12 0.29 -0.62 1.02 -1.26 -4.71 119.74 112.08 2c3y s LYS 259 Ca 0.03 -1.54 0.04 0.00 0.02 0.00 0.00 55.97 54.51 2c3y s LYS 259 Cb 0.05 -0.22 0.65 0.00 -0.52 0.00 0.00 37.83 37.79 2c3y s LYS 259 CO -0.08 -0.16 1.80 -0.07 -0.92 0.00 0.00 175.35 175.92 2c3y h LEU 260 N 2.68 0.86 -7.77 3.17 4.07 -1.94 -3.38 115.31 113.00 2c3y h LEU 260 Ca -0.37 0.07 -0.42 0.00 0.08 0.00 0.00 57.88 57.25 2c3y h LEU 260 Cb 1.21 -0.09 -0.34 0.00 1.08 0.00 0.00 40.66 42.52 2c3y h LEU 260 CO 0.62 0.38 -0.78 -0.36 -1.08 0.00 0.00 178.44 177.22 2c3y s PHE 261 N -5.90 0.81 -0.06 1.13 0.08 -1.26 -0.55 117.98 112.23 2c3y s PHE 261 Ca -0.12 -0.23 0.05 0.00 0.12 0.00 0.00 56.93 56.75 2c3y s PHE 261 Cb 0.24 -0.69 -0.01 0.00 -0.57 0.00 0.00 43.02 41.98 2c3y s PHE 261 CO 0.81 -0.19 -0.23 -0.51 -0.10 0.00 0.00 175.22 174.99 2c3y s ASP 262 N 0.84 3.21 -0.06 1.36 -0.00 -0.50 -4.77 116.67 116.75 2c3y s ASP 262 Ca -0.12 -0.48 -0.03 0.00 -0.00 0.00 0.00 52.55 51.93 2c3y s ASP 262 Cb -0.14 -0.91 -0.04 0.00 -0.00 0.00 0.00 42.92 41.83 2c3y s ASP 262 CO 0.01 0.25 0.07 -0.47 -0.00 0.00 0.00 175.17 175.02 2c3y s TYR 263 N -0.16 3.32 0.01 4.23 6.14 -1.26 0.01 117.35 129.65 2c3y s TYR 263 Ca -0.03 0.28 0.00 0.00 0.64 0.00 0.00 57.07 57.97 2c3y s TYR 263 Cb -0.14 -1.81 -0.01 0.00 0.42 0.00 0.00 41.96 40.42 2c3y s TYR 263 CO 0.04 0.57 -0.03 0.08 0.64 0.00 0.00 175.55 176.85 2c3y s VAL 264 N -1.05 0.14 -0.40 3.14 1.01 -0.27 -4.99 120.40 117.99 2c3y s VAL 264 Ca 0.18 -0.53 0.00 0.00 0.00 0.00 0.00 61.98 61.63 2c3y s VAL 264 Cb -0.12 -0.21 0.00 0.00 0.00 0.00 0.00 36.38 36.05 2c3y s VAL 264 CO 0.07 -0.25 0.00 0.61 0.00 0.00 0.00 175.10 175.54 2c3y n GLY 265 N 2.26 0.53 3.73 4.51 0.00 -1.26 0.11 105.19 115.06 2c3y n GLY 265 Ca -0.18 -2.26 -0.42 0.00 0.00 0.00 0.00 46.02 43.16 2c3y n GLY 265 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2c3y s ALA 266 N -1.92 3.52 0.48 4.61 0.00 0.15 -4.90 121.76 123.70 2c3y s ALA 266 Ca 0.00 1.06 0.37 0.00 0.00 0.00 0.00 51.96 53.38 2c3y s ALA 266 Cb 0.00 -3.49 1.91 0.00 0.00 0.00 0.00 23.12 21.54 2c3y s ALA 266 CO 0.00 -0.53 2.21 -1.35 0.00 0.00 0.00 175.76 176.08 2c3y h PRO 267 N 6.13 0.00 -0.22 0.00 0.11 -1.96 -1.90 132.00 134.16 2c3y h PRO 267 Ca -0.43 0.00 -0.12 0.00 0.11 0.00 0.00 66.00 65.56 2c3y h PRO 267 Cb 1.21 0.00 -0.07 0.00 0.11 0.00 0.00 31.00 32.25 2c3y h PRO 267 CO 0.81 0.03 -0.27 -0.40 -0.21 0.00 0.00 178.00 177.96 2c3y n ASP 268 N -3.30 2.24 -4.75 -2.05 5.75 -1.26 -4.80 116.55 108.38 2c3y n ASP 268 Ca -0.02 -3.85 -0.40 0.00 -0.01 0.00 0.00 54.79 50.51 2c3y n ASP 268 Cb 0.16 -0.59 0.02 0.00 -1.03 0.00 0.00 41.12 39.68 2c3y n ASP 268 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2c3y n ALA 269 N -1.11 1.94 -0.03 2.12 0.00 -0.72 -4.85 120.51 117.86 2c3y n ALA 269 Ca 0.28 0.26 0.04 0.00 0.00 0.00 0.00 53.44 54.01 2c3y n ALA 269 Cb 0.89 -2.37 -0.13 0.00 0.00 0.00 0.00 19.45 17.83 2c3y n ALA 269 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2c3y n GLU 270 N -0.10 0.79 -4.10 0.00 1.02 0.25 -2.37 120.64 116.13 2c3y n GLU 270 Ca 0.05 -0.11 -0.32 0.00 -0.02 0.00 0.00 57.16 56.75 2c3y n GLU 270 Cb 0.41 -1.41 -0.16 0.00 -0.02 0.00 0.00 31.44 30.25 2c3y n GLU 270 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 2c3y s ARG 271 N -2.96 2.78 0.00 3.49 0.52 -1.10 0.33 118.95 122.02 2c3y s ARG 271 Ca -0.07 -0.86 0.06 0.00 -0.52 0.00 0.00 55.73 54.34 2c3y s ARG 271 Cb 0.09 -2.55 -0.02 0.00 0.52 0.00 0.00 34.95 33.00 2c3y s ARG 271 CO 0.70 -0.26 -0.18 0.08 0.02 0.00 0.00 175.30 175.66 2c3y s VAL 272 N 1.30 1.45 -0.04 3.52 1.01 -0.46 -1.84 120.40 125.33 2c3y s VAL 272 Ca 0.03 -0.89 0.01 0.00 0.00 0.00 0.00 61.98 61.13 2c3y s VAL 272 Cb -0.14 -1.23 -0.03 0.00 0.00 0.00 0.00 36.38 34.98 2c3y s VAL 272 CO -0.12 0.33 -0.02 -0.63 0.00 0.00 0.00 175.10 174.66 2c3y s ILE 273 N -0.54 4.04 -0.18 2.22 1.01 -0.78 -0.62 121.20 126.35 2c3y s ILE 273 Ca 0.07 -0.49 0.00 0.00 0.00 0.00 0.00 60.65 60.23 2c3y s ILE 273 Cb -0.07 -2.73 0.01 0.00 0.01 0.00 0.00 42.46 39.67 2c3y s ILE 273 CO 0.00 0.50 -0.16 -0.69 0.00 0.00 0.00 174.94 174.58 2c3y s VAL 274 N -0.95 2.42 0.23 2.92 1.01 -0.04 -0.17 120.40 125.81 2c3y s VAL 274 Ca 0.16 -0.83 -0.03 0.00 0.00 0.00 0.00 61.98 61.28 2c3y s VAL 274 Cb -0.11 -2.03 -0.03 0.00 0.00 0.00 0.00 36.38 34.21 2c3y s VAL 274 CO 0.06 0.51 0.24 -0.55 0.00 0.00 0.00 175.10 175.36 2c3y s SER 275 N 1.19 0.25 -0.02 3.32 0.15 -0.97 -1.05 113.70 116.56 2c3y s SER 275 Ca 0.02 -1.31 -0.03 0.00 0.70 0.00 0.00 55.95 55.32 2c3y s SER 275 Cb -0.14 0.46 0.00 0.00 -1.71 0.00 0.00 66.02 64.63 2c3y s SER 275 CO -0.08 -0.95 0.08 -0.32 1.20 0.00 0.00 173.24 173.17 2c3y s MET 276 N -4.01 0.19 0.72 5.44 1.75 -1.26 -2.08 119.30 120.04 2c3y s MET 276 Ca 0.35 -0.04 0.00 0.00 -1.25 0.00 0.00 55.69 54.74 2c3y s MET 276 Cb 0.04 0.08 0.00 0.00 2.84 0.00 0.00 34.83 37.80 2c3y s MET 276 CO 0.13 -0.03 0.00 0.41 -0.65 0.00 0.00 175.02 174.88 2c3y n GLY 277 N 2.61 -1.81 0.33 2.11 0.00 -1.26 -4.33 105.19 102.84 2c3y n GLY 277 Ca -0.15 -1.71 0.18 0.00 0.00 0.00 0.00 46.02 44.34 2c3y n GLY 277 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2c3y h SER 278 N 0.00 0.00 -0.28 1.61 4.64 -1.77 -1.95 113.55 115.80 2c3y h SER 278 Ca 0.00 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.31 2c3y h SER 278 Cb 0.00 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.07 2c3y h SER 278 CO 0.00 0.00 0.15 0.77 -0.87 0.00 0.00 176.83 176.88 2c3y h SER 279 N 0.00 0.38 -0.24 4.97 4.64 -1.85 -2.59 113.55 118.85 2c3y h SER 279 Ca 0.00 -0.03 0.05 0.00 -0.47 0.00 0.00 61.79 61.34 2c3y h SER 279 Cb 0.41 -0.10 -0.01 0.00 -0.31 0.00 0.00 62.40 62.39 2c3y h SER 279 CO 0.00 0.33 0.17 0.00 -0.87 0.00 0.00 176.83 176.45 2c3y h GLU 281 N 0.12 0.02 -0.73 0.00 4.39 -1.67 -1.08 114.58 115.63 2c3y h GLU 281 Ca 0.11 -0.01 -0.05 0.00 0.34 0.00 0.00 59.36 59.75 2c3y h GLU 281 Cb 0.28 -0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 28.90 2c3y h GLU 281 CO -0.01 0.47 0.27 1.15 -1.16 0.00 0.00 179.01 179.73 2c3y h THR 282 N -0.44 1.25 -0.78 1.13 2.02 -1.33 -1.56 112.91 113.21 2c3y h THR 282 Ca 0.00 -0.82 -0.05 0.00 0.77 0.00 0.00 66.41 66.31 2c3y h THR 282 Cb 0.47 0.42 -0.03 0.00 -1.74 0.00 0.00 68.15 67.27 2c3y h THR 282 CO 0.00 0.33 0.28 0.40 0.37 0.00 0.00 175.52 176.90 2c3y h ILE 283 N 1.06 1.26 -0.61 3.11 2.04 -1.04 -2.04 117.51 121.29 2c3y h ILE 283 Ca 0.24 -0.86 -0.07 0.00 1.00 0.00 0.00 64.86 65.17 2c3y h ILE 283 Cb 0.24 0.36 -0.02 0.00 -0.74 0.00 0.00 36.82 36.65 2c3y h ILE 283 CO -0.02 0.35 0.10 -0.08 0.00 0.00 0.00 178.15 178.50 2c3y h GLU 284 N 1.14 1.01 -0.30 2.37 4.81 -0.84 -0.56 114.58 122.22 2c3y h GLU 284 Ca 0.26 -0.27 0.06 0.00 -0.13 0.00 0.00 59.36 59.28 2c3y h GLU 284 Cb 0.25 -0.12 -0.06 0.00 0.63 0.00 0.00 28.75 29.46 2c3y h GLU 284 CO -0.02 0.95 -0.09 1.49 -0.73 0.00 0.00 179.01 180.61 2c3y h GLU 285 N 0.92 -0.03 -0.79 1.92 4.81 -0.87 0.11 114.58 120.66 2c3y h GLU 285 Ca 0.19 0.00 -0.04 0.00 -0.13 0.00 0.00 59.36 59.38 2c3y h GLU 285 Cb 0.43 0.01 -0.04 0.00 0.63 0.00 0.00 28.75 29.78 2c3y h GLU 285 CO 0.01 -0.02 0.34 0.28 -0.73 0.00 0.00 179.01 178.89 2c3y h VAL 286 N -0.03 1.26 -0.46 0.32 2.07 -1.09 -2.49 116.25 115.82 2c3y h VAL 286 Ca 0.15 -0.78 0.03 0.00 0.82 0.00 0.00 66.70 66.91 2c3y h VAL 286 Cb 0.25 0.30 -0.03 0.00 -1.52 0.00 0.00 31.29 30.29 2c3y h VAL 286 CO -0.32 0.32 0.26 0.40 0.02 0.00 0.00 177.57 178.25 2c3y h ILE 287 N 1.13 1.03 -0.60 4.57 2.04 -0.19 0.15 117.51 125.63 2c3y h ILE 287 Ca 0.27 -0.18 0.08 0.00 1.00 0.00 0.00 64.86 66.02 2c3y h ILE 287 Cb 0.18 0.45 -0.06 0.00 -0.74 0.00 0.00 36.82 36.65 2c3y h ILE 287 CO -0.03 0.10 0.28 0.78 0.00 0.00 0.00 178.15 179.28 2c3y h ASN 288 N 0.53 0.35 0.36 1.72 -0.26 -0.66 0.37 115.58 117.98 2c3y h ASN 288 Ca 0.19 0.06 -0.02 0.00 -0.56 0.00 0.00 56.30 55.97 2c3y h ASN 288 Cb 0.04 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.30 2c3y h ASN 288 CO -0.10 0.22 -0.17 -0.74 -1.06 0.00 0.00 177.43 175.58 2c3y h HIS 289 N 0.50 -0.45 -0.40 1.19 2.76 -0.97 -2.92 115.15 114.86 2c3y h HIS 289 Ca 0.29 -0.01 -0.10 0.00 -2.20 0.00 0.00 60.37 58.35 2c3y h HIS 289 Cb 0.28 0.15 -0.01 0.00 1.55 0.00 0.00 27.41 29.38 2c3y h HIS 289 CO -0.13 -0.13 -0.14 -0.07 -1.30 0.00 0.00 177.93 176.17 2c3y h LEU 290 N -0.79 0.81 -1.33 0.26 4.07 -0.58 -3.08 115.31 114.66 2c3y h LEU 290 Ca -0.05 -0.38 0.03 0.00 0.08 0.00 0.00 57.88 57.56 2c3y h LEU 290 Cb 0.52 -0.22 -0.04 0.00 1.08 0.00 0.00 40.66 42.00 2c3y h LEU 290 CO 0.08 1.01 0.47 0.00 -1.08 0.00 0.00 178.44 178.92 2c3y h ALA 291 N 0.83 1.56 0.00 1.53 0.00 -0.37 0.72 119.26 123.54 2c3y h ALA 291 Ca 0.10 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.97 2c3y h ALA 291 Cb 0.68 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.21 2c3y h ALA 291 CO 0.05 0.37 0.00 0.00 0.00 0.00 0.00 179.25 179.67 2c3y h ALA 292 N 1.58 1.00 -0.46 0.00 0.00 -1.42 0.10 119.26 120.06 2c3y h ALA 292 Ca 0.28 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.19 2c3y h ALA 292 Cb 0.01 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.80 2c3y h ALA 292 CO -0.07 0.00 0.00 1.63 0.00 0.00 0.00 179.25 180.81 2c3y n LYS 293 N -2.55 2.56 0.00 0.00 5.02 0.21 -4.94 118.16 118.47 2c3y n LYS 293 Ca -0.01 -2.38 0.00 0.00 -2.02 0.00 0.00 58.31 53.90 2c3y n LYS 293 Cb 0.11 -1.53 0.00 0.00 -0.02 0.00 0.00 35.03 33.59 2c3y n LYS 293 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2c3y n GLY 294 N 1.55 0.19 3.69 0.72 0.00 0.36 -5.06 105.19 106.65 2c3y n GLY 294 Ca 0.21 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.79 2c3y n GLY 294 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2c3y n GLU 295 N -1.77 2.57 -2.74 1.61 -0.58 -0.99 -4.89 120.64 113.84 2c3y n GLU 295 Ca 0.00 0.93 -0.43 0.00 -0.42 0.00 0.00 57.16 57.24 2c3y n GLU 295 Cb 0.00 -2.79 0.00 0.00 -0.57 0.00 0.00 31.44 28.08 2c3y n GLU 295 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 2c3y n LYS 296 N 5.19 3.50 -4.32 3.49 4.76 -1.26 -4.22 118.16 125.30 2c3y n LYS 296 Ca 0.18 -3.78 -0.17 0.00 -2.87 0.00 0.00 58.31 51.67 2c3y n LYS 296 Cb 0.34 -2.97 -0.10 0.00 -1.84 0.00 0.00 35.03 30.46 2c3y n LYS 296 CO 0.00 0.00 0.00 0.96 -1.37 0.00 0.00 177.40 176.99 2c3y s ILE 297 N 0.91 1.40 0.34 -0.18 -4.36 -1.26 -0.59 121.20 117.46 2c3y s ILE 297 Ca 0.41 -2.12 -0.13 0.00 -0.26 0.00 0.00 60.65 58.56 2c3y s ILE 297 Cb 0.02 -2.08 0.03 0.00 1.25 0.00 0.00 42.46 41.67 2c3y s ILE 297 CO 0.00 -0.56 0.66 -0.83 0.24 0.00 0.00 174.94 174.45 2c3y s GLY 298 N -3.28 0.63 -0.05 6.27 0.00 -0.77 -0.67 107.32 109.44 2c3y s GLY 298 Ca 0.22 -0.91 -0.05 0.00 0.00 0.00 0.00 44.72 43.99 2c3y s GLY 298 CO 0.06 -0.50 0.14 -2.27 0.00 0.00 0.00 173.10 170.52 2c3y s LEU 299 N -3.09 1.38 -0.27 0.66 2.96 0.12 -1.87 118.68 118.57 2c3y s LEU 299 Ca 0.20 0.28 -0.04 0.00 -0.22 0.00 0.00 54.13 54.35 2c3y s LEU 299 Cb -0.03 0.47 0.02 0.00 0.50 0.00 0.00 46.19 47.14 2c3y s LEU 299 CO 0.13 -0.06 0.00 -0.63 -1.32 0.00 0.00 176.35 174.47 2c3y s ILE 300 N 0.20 3.35 -0.19 6.68 1.01 0.77 -1.11 121.20 131.91 2c3y s ILE 300 Ca -0.01 -0.90 -0.20 0.00 0.00 0.00 0.00 60.65 59.54 2c3y s ILE 300 Cb -0.02 -2.73 -0.03 0.00 0.01 0.00 0.00 42.46 39.69 2c3y s ILE 300 CO -0.01 0.13 0.61 -0.54 0.00 0.00 0.00 174.94 175.14 2c3y s LYS 301 N 1.40 4.23 -0.21 2.79 1.02 0.10 -2.30 119.74 126.76 2c3y s LYS 301 Ca 0.01 0.60 -0.19 0.00 0.02 0.00 0.00 55.97 56.40 2c3y s LYS 301 Cb -0.17 -3.56 -0.03 0.00 -0.52 0.00 0.00 37.83 33.55 2c3y s LYS 301 CO -0.01 -0.19 0.57 0.14 -0.92 0.00 0.00 175.35 174.93 2c3y s VAL 302 N 1.76 5.06 -0.19 3.17 -7.23 -0.89 -1.41 120.40 120.67 2c3y s VAL 302 Ca 0.28 1.05 -0.17 0.00 -1.81 0.00 0.00 61.98 61.33 2c3y s VAL 302 Cb -0.16 -3.89 -0.07 0.00 0.56 0.00 0.00 36.38 32.83 2c3y s VAL 302 CO 0.11 0.12 -0.35 0.54 -0.31 0.00 0.00 175.10 175.21 2c3y n ARG 303 N 5.08 0.54 -3.11 4.82 3.00 0.29 -4.64 116.66 122.65 2c3y n ARG 303 Ca -0.03 0.22 -0.44 0.00 -0.01 0.00 0.00 57.85 57.59 2c3y n ARG 303 Cb 0.50 -1.44 -0.05 0.00 0.00 0.00 0.00 32.46 31.47 2c3y n ARG 303 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.63 176.46 2c3y s LEU 304 N -7.86 5.07 0.08 0.55 2.96 -0.99 -0.62 118.68 117.88 2c3y s LEU 304 Ca -0.30 -1.10 -0.00 0.00 -0.22 0.00 0.00 54.13 52.50 2c3y s LEU 304 Cb 0.05 -2.40 -0.26 0.00 0.50 0.00 0.00 46.19 44.08 2c3y s LEU 304 CO 0.44 -1.03 1.16 0.22 -1.32 0.00 0.00 176.35 175.82 2c3y h TYR 305 N 9.12 0.33 -3.25 5.38 3.20 -0.91 -3.43 116.97 127.40 2c3y h TYR 305 Ca -0.28 -0.24 -0.25 0.00 3.14 0.00 0.00 58.73 61.10 2c3y h TYR 305 Cb 1.09 -0.01 -0.32 0.00 1.54 0.00 0.00 36.73 39.02 2c3y h TYR 305 CO 0.80 1.19 -0.61 1.03 -1.64 0.00 0.00 178.16 178.94 2c3y s ARG 306 N -2.67 0.08 0.61 1.82 1.81 -1.15 -3.32 118.95 116.13 2c3y s ARG 306 Ca -0.03 0.38 -0.18 0.00 -1.72 0.00 0.00 55.73 54.19 2c3y s ARG 306 Cb 0.08 -0.19 -0.02 0.00 -0.45 0.00 0.00 34.95 34.36 2c3y s ARG 306 CO 0.86 -0.18 1.17 -2.14 -0.68 0.00 0.00 175.30 174.33 2c3y s PRO 307 N 1.27 2.92 -0.43 3.54 0.02 -1.26 -0.42 135.00 140.63 2c3y s PRO 307 Ca -0.08 1.69 -0.20 0.00 0.02 0.00 0.00 61.00 62.43 2c3y s PRO 307 Cb -0.12 -1.94 0.02 0.00 0.02 0.00 0.00 34.50 32.49 2c3y s PRO 307 CO -0.06 -1.22 0.58 0.12 -0.33 0.00 0.00 177.00 176.09 2c3y s PHE 308 N -1.82 3.10 -0.48 6.54 5.36 -1.21 -4.93 117.98 124.53 2c3y s PHE 308 Ca 0.74 -0.16 -0.15 0.00 -0.96 0.00 0.00 56.93 56.40 2c3y s PHE 308 Cb -0.27 -3.20 0.08 0.00 -0.34 0.00 0.00 43.02 39.29 2c3y s PHE 308 CO 0.35 -0.82 0.40 0.08 -1.46 0.00 0.00 175.22 173.77 2c3y s VAL 309 N 2.60 5.12 0.24 3.12 1.01 -1.26 -4.96 120.40 126.27 2c3y s VAL 309 Ca 0.19 -1.18 -0.05 0.00 0.00 0.00 0.00 61.98 60.93 2c3y s VAL 309 Cb -0.15 -4.11 0.20 0.00 0.00 0.00 0.00 36.38 32.32 2c3y s VAL 309 CO 0.17 -0.63 1.79 0.28 0.00 0.00 0.00 175.10 176.71 2c3y h SER 310 N 8.74 0.54 -0.97 3.32 0.02 -1.98 -1.72 113.55 121.50 2c3y h SER 310 Ca -0.28 0.06 0.09 0.00 -0.84 0.00 0.00 61.79 60.82 2c3y h SER 310 Cb 1.11 -0.03 -0.07 0.00 0.14 0.00 0.00 62.40 63.54 2c3y h SER 310 CO 0.90 0.30 0.61 -0.08 -1.14 0.00 0.00 176.83 177.42 2c3y h GLU 311 N 0.66 1.02 -0.00 3.45 4.81 -1.99 0.17 114.58 122.70 2c3y h GLU 311 Ca 0.38 -0.06 -0.12 0.00 -0.13 0.00 0.00 59.36 59.43 2c3y h GLU 311 Cb 0.41 -0.23 -0.02 0.00 0.63 0.00 0.00 28.75 29.54 2c3y h GLU 311 CO -0.28 0.67 -0.57 0.00 -0.73 0.00 0.00 179.01 178.10 2c3y h ALA 312 N 1.49 1.04 -0.01 2.92 0.00 -1.77 -1.48 119.26 121.45 2c3y h ALA 312 Ca 0.45 -0.52 -0.00 0.00 0.00 0.00 0.00 54.91 54.84 2c3y h ALA 312 Cb 0.32 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.02 2c3y h ALA 312 CO -0.22 0.72 -0.00 0.35 0.00 0.00 0.00 179.25 180.09 2c3y h PHE 313 N 0.01 0.02 0.00 0.00 3.57 -0.25 -3.01 116.94 117.28 2c3y h PHE 313 Ca -0.01 -0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.48 2c3y h PHE 313 Cb 1.02 -0.01 -0.00 0.00 2.79 0.00 0.00 35.95 39.75 2c3y h PHE 313 CO 0.00 0.39 -0.06 0.74 -2.23 0.00 0.00 178.31 177.15 2c3y h PHE 314 N -0.35 0.00 0.00 0.41 -1.00 -0.68 -1.89 116.94 113.44 2c3y h PHE 314 Ca 0.00 0.00 -0.07 0.00 2.81 0.00 0.00 57.97 60.72 2c3y h PHE 314 Cb 0.38 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 39.93 2c3y h PHE 314 CO 0.05 0.06 -0.32 0.00 -1.61 0.00 0.00 178.31 176.50 2c3y h ALA 315 N 1.94 1.04 -0.01 2.45 0.00 -1.14 -2.74 119.26 120.80 2c3y h ALA 315 Ca -0.00 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.62 2c3y h ALA 315 Cb 0.45 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.19 2c3y h ALA 315 CO 0.01 0.40 -0.46 0.00 0.00 0.00 0.00 179.25 179.19 2c3y n ALA 316 N -2.28 3.53 -2.62 0.00 0.00 -0.75 -4.92 120.51 113.47 2c3y n ALA 316 Ca -0.00 -0.56 -0.40 0.00 0.00 0.00 0.00 53.44 52.47 2c3y n ALA 316 Cb 0.46 -0.90 -0.07 0.00 0.00 0.00 0.00 19.45 18.94 2c3y n ALA 316 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 2c3y s LEU 317 N -2.55 4.06 0.13 0.00 1.98 -0.98 -4.61 118.68 116.71 2c3y s LEU 317 Ca 0.19 0.54 -0.31 0.00 -2.89 0.00 0.00 54.13 51.66 2c3y s LEU 317 Cb 0.18 -2.68 -0.09 0.00 0.66 0.00 0.00 46.19 44.27 2c3y s LEU 317 CO 0.59 -0.29 1.46 -2.84 -1.89 0.00 0.00 176.35 173.38 2c3y s PRO 318 N 2.29 4.28 0.18 0.98 0.02 -1.26 -4.88 135.00 136.60 2c3y s PRO 318 Ca 0.22 2.18 0.17 0.00 0.02 0.00 0.00 61.00 63.59 2c3y s PRO 318 Cb -0.16 -3.23 0.79 0.00 0.02 0.00 0.00 34.50 31.93 2c3y s PRO 318 CO 0.09 -0.51 1.53 0.00 -0.33 0.00 0.00 177.00 177.79 2c3y n ALA 319 N 4.01 1.41 0.74 -1.55 0.00 -1.26 -1.70 120.51 122.16 2c3y n ALA 319 Ca 0.12 0.07 0.13 0.00 0.00 0.00 0.00 53.44 53.76 2c3y n ALA 319 Cb 0.41 -1.28 0.34 0.00 0.00 0.00 0.00 19.45 18.92 2c3y n ALA 319 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 2c3y n SER 320 N -1.96 0.57 -4.67 0.00 3.41 -1.26 -4.88 113.62 104.82 2c3y n SER 320 Ca 0.01 0.27 -0.42 0.00 -0.26 0.00 0.00 58.87 58.47 2c3y n SER 320 Cb 0.13 -0.24 -0.03 0.00 -0.26 0.00 0.00 64.21 63.81 2c3y n SER 320 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2c3y n ALA 321 N -1.70 1.85 -0.07 7.33 0.00 -0.69 -4.35 120.51 122.88 2c3y n ALA 321 Ca 0.05 0.26 -0.05 0.00 0.00 0.00 0.00 53.44 53.70 2c3y n ALA 321 Cb 0.40 -2.64 -0.14 0.00 0.00 0.00 0.00 19.45 17.07 2c3y n ALA 321 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2c3y n LYS 322 N 6.68 1.00 -4.27 0.00 5.02 0.15 -4.81 118.16 121.94 2c3y n LYS 322 Ca 0.19 -0.04 -0.19 0.00 -2.02 0.00 0.00 58.31 56.25 2c3y n LYS 322 Cb 0.39 -1.45 -0.15 0.00 -0.02 0.00 0.00 35.03 33.79 2c3y n LYS 322 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 2c3y s VAL 323 N -2.61 0.61 -0.05 -0.18 1.01 -0.58 -1.53 120.40 117.06 2c3y s VAL 323 Ca -0.08 -0.27 0.01 0.00 0.00 0.00 0.00 61.98 61.64 2c3y s VAL 323 Cb 0.07 -0.56 0.02 0.00 0.00 0.00 0.00 36.38 35.91 2c3y s VAL 323 CO 0.74 0.20 -0.05 -0.51 0.00 0.00 0.00 175.10 175.48 2c3y s ILE 324 N 0.23 0.60 -0.18 2.22 -1.16 0.99 -1.36 121.20 122.55 2c3y s ILE 324 Ca -0.03 -0.14 -0.02 0.00 -0.51 0.00 0.00 60.65 59.95 2c3y s ILE 324 Cb -0.08 -0.63 -0.01 0.00 0.61 0.00 0.00 42.46 42.35 2c3y s ILE 324 CO 0.00 0.25 -0.08 0.42 -2.81 0.00 0.00 174.94 172.71 2c3y s THR 325 N 1.02 3.24 -0.32 4.00 -4.23 0.21 -0.62 115.64 118.94 2c3y s THR 325 Ca -0.09 -0.57 -0.12 0.00 -1.18 0.00 0.00 61.69 59.73 2c3y s THR 325 Cb -0.14 -2.42 -0.02 0.00 1.34 0.00 0.00 72.50 71.25 2c3y s THR 325 CO -0.00 0.48 0.21 -0.69 -0.54 0.00 0.00 174.62 174.08 2c3y s VAL 326 N 0.90 5.18 -0.20 2.29 1.01 0.21 -0.86 120.40 128.92 2c3y s VAL 326 Ca -0.02 -0.15 -0.17 0.00 0.00 0.00 0.00 61.98 61.64 2c3y s VAL 326 Cb -0.15 -3.61 -0.04 0.00 0.00 0.00 0.00 36.38 32.59 2c3y s VAL 326 CO 0.00 0.07 0.43 -0.76 0.00 0.00 0.00 175.10 174.85 2c3y s LEU 327 N 1.71 4.16 -0.13 3.92 1.02 -0.22 -1.47 118.68 127.68 2c3y s LEU 327 Ca 0.06 0.57 0.01 0.00 0.02 0.00 0.00 54.13 54.79 2c3y s LEU 327 Cb -0.17 -2.57 -0.01 0.00 0.02 0.00 0.00 46.19 43.46 2c3y s LEU 327 CO 0.10 -0.10 -0.16 -1.81 0.02 0.00 0.00 176.35 174.40 2c3y s ASP 328 N 1.05 3.75 -0.77 2.29 1.01 0.10 -4.54 116.67 119.57 2c3y s ASP 328 Ca 0.21 -0.41 -0.03 0.00 0.71 0.00 0.00 52.55 53.02 2c3y s ASP 328 Cb -0.15 -1.56 0.17 0.00 1.01 0.00 0.00 42.92 42.39 2c3y s ASP 328 CO 0.09 0.14 2.42 -1.14 0.21 0.00 0.00 175.17 176.88 2c3y n ARG 329 N 3.68 3.19 -3.14 8.23 0.63 -1.26 -2.52 116.66 125.47 2c3y n ARG 329 Ca -0.19 -3.09 -0.07 0.00 -0.92 0.00 0.00 57.85 53.59 2c3y n ARG 329 Cb 0.52 -2.29 0.02 0.00 0.45 0.00 0.00 32.46 31.16 2c3y n ARG 329 CO 0.00 0.00 0.00 -2.37 -2.51 0.00 0.00 177.63 172.75 2c3y n THR 330 N 0.55 0.00 -3.58 5.15 5.66 -1.26 0.01 114.28 120.82 2c3y n THR 330 Ca 0.52 -0.79 -0.12 0.00 -3.05 0.00 0.00 64.05 60.61 2c3y n THR 330 Cb 0.39 0.76 -0.11 0.00 -1.55 0.00 0.00 70.33 69.81 2c3y n THR 330 CO 0.00 0.00 0.00 -0.75 -3.05 0.00 0.00 175.07 171.27 2c3y s LYS 331 N -2.10 0.22 -0.52 1.09 2.47 -1.26 -4.77 119.74 114.88 2c3y s LYS 331 Ca 0.13 0.69 0.01 0.00 -1.56 0.00 0.00 55.97 55.23 2c3y s LYS 331 Cb -0.04 -0.22 0.13 0.00 -1.46 0.00 0.00 37.83 36.25 2c3y s LYS 331 CO 0.09 -0.40 0.29 -1.21 0.16 0.00 0.00 175.35 174.28 2c3y s GLU 332 N 2.47 2.11 0.10 4.03 2.02 -1.26 -5.06 118.70 123.12 2c3y s GLU 332 Ca 0.04 -2.41 -0.36 0.00 0.02 0.00 0.00 54.97 52.26 2c3y s GLU 332 Cb -0.13 -3.47 -0.16 0.00 0.10 0.00 0.00 34.13 30.47 2c3y s GLU 332 CO -0.11 -1.10 1.43 -2.30 0.02 0.00 0.00 175.26 173.19 2c3y n PRO 333 N 3.54 1.49 0.00 0.39 -0.02 -1.26 -1.98 135.00 137.16 2c3y n PRO 333 Ca 0.05 0.54 0.00 0.00 -2.02 0.00 0.00 63.50 62.07 2c3y n PRO 333 Cb 0.36 -2.23 0.00 0.00 -0.02 0.00 0.00 33.50 31.62 2c3y n PRO 333 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2c3y n GLY 334 N 2.86 3.13 3.76 -1.23 0.00 -1.26 -5.02 105.19 107.43 2c3y n GLY 334 Ca 0.18 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.84 2c3y n GLY 334 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2c3y s ALA 335 N -1.56 2.56 -0.67 4.61 0.00 -0.84 -4.90 121.76 120.96 2c3y s ALA 335 Ca 0.00 0.95 0.22 0.00 0.00 0.00 0.00 51.96 53.13 2c3y s ALA 335 Cb 0.00 -3.43 0.89 0.00 0.00 0.00 0.00 23.12 20.58 2c3y s ALA 335 CO 0.00 -1.11 1.67 -0.35 0.00 0.00 0.00 175.76 175.97 2c3y n PRO 336 N -1.60 0.14 -3.64 0.00 -0.04 -1.26 -4.84 135.00 123.76 2c3y n PRO 336 Ca 0.13 0.33 -0.02 0.00 -0.04 0.00 0.00 63.50 63.89 2c3y n PRO 336 Cb 0.50 -1.75 -0.03 0.00 -0.04 0.00 0.00 33.50 32.18 2c3y n PRO 336 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 2c3y s GLY 337 N -3.38 -0.14 0.74 0.55 0.00 -1.26 -5.09 107.32 98.74 2c3y s GLY 337 Ca 0.06 2.10 -0.11 0.00 0.00 0.00 0.00 44.72 46.77 2c3y s GLY 337 CO 0.39 0.74 1.08 0.99 0.00 0.00 0.00 173.10 176.30 2c3y s ASP 338 N -1.79 5.01 0.15 1.64 1.01 -1.26 -4.77 116.67 116.67 2c3y s ASP 338 Ca 0.11 1.45 -0.30 0.00 0.71 0.00 0.00 52.55 54.52 2c3y s ASP 338 Cb -0.01 -2.27 -0.07 0.00 1.01 0.00 0.00 42.92 41.58 2c3y s ASP 338 CO -0.04 -1.66 1.52 -0.65 0.21 0.00 0.00 175.17 174.55 2c3y h PRO 339 N -0.87 -0.01 -0.36 8.23 0.11 -1.99 -1.27 132.00 135.85 2c3y h PRO 339 Ca -0.45 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.65 2c3y h PRO 339 Cb 1.24 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.33 2c3y h PRO 339 CO 0.58 -0.00 0.20 1.25 -0.21 0.00 0.00 178.00 179.82 2c3y h LEU 340 N -0.01 0.44 -0.56 2.35 5.85 -1.94 -1.48 115.31 119.98 2c3y h LEU 340 Ca 0.15 -0.09 0.07 0.00 0.84 0.00 0.00 57.88 58.86 2c3y h LEU 340 Cb 0.39 -0.11 -0.06 0.00 0.37 0.00 0.00 40.66 41.25 2c3y h LEU 340 CO -0.89 0.40 0.24 0.22 -0.34 0.00 0.00 178.44 178.07 2c3y h TYR 341 N 0.45 0.42 -0.43 1.25 3.20 -1.80 -0.90 116.97 119.17 2c3y h TYR 341 Ca 0.13 0.03 0.00 0.00 3.14 0.00 0.00 58.73 62.03 2c3y h TYR 341 Cb 0.05 -0.11 -0.02 0.00 1.54 0.00 0.00 36.73 38.20 2c3y h TYR 341 CO -0.03 0.16 0.28 -0.07 -1.64 0.00 0.00 178.16 176.86 2c3y h LEU 342 N 0.44 0.49 -0.73 2.82 4.07 -0.78 -0.96 115.31 120.66 2c3y h LEU 342 Ca 0.27 -0.01 0.01 0.00 0.08 0.00 0.00 57.88 58.22 2c3y h LEU 342 Cb 0.26 -0.12 -0.04 0.00 1.08 0.00 0.00 40.66 41.84 2c3y h LEU 342 CO -0.24 0.36 0.48 0.44 -1.08 0.00 0.00 178.44 178.40 2c3y h ASP 343 N 0.58 0.84 -0.41 -0.43 3.32 -0.60 -1.94 116.42 117.79 2c3y h ASP 343 Ca 0.16 -0.03 -0.07 0.00 0.02 0.00 0.00 57.03 57.11 2c3y h ASP 343 Cb -0.07 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 39.26 2c3y h ASP 343 CO -0.03 0.62 -0.01 0.58 -1.72 0.00 0.00 179.24 178.67 2c3y h VAL 344 N 0.99 1.26 -0.78 -1.35 2.07 -0.94 -2.31 116.25 115.19 2c3y h VAL 344 Ca 0.27 -1.04 0.05 0.00 0.82 0.00 0.00 66.70 66.80 2c3y h VAL 344 Cb -0.11 1.12 -0.05 0.00 -1.52 0.00 0.00 31.29 30.74 2c3y h VAL 344 CO -0.06 0.35 0.49 0.00 0.02 0.00 0.00 177.57 178.37 2c3y h SER 346 N 0.92 0.00 -0.16 0.00 4.64 -1.17 -1.94 113.55 115.84 2c3y h SER 346 Ca 0.33 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.62 2c3y h SER 346 Cb 0.09 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.18 2c3y h SER 346 CO -0.14 0.23 0.00 0.00 -0.87 0.00 0.00 176.83 176.05 2c3y h ALA 347 N 1.77 0.21 -0.17 5.18 0.00 -0.63 -2.33 119.26 123.29 2c3y h ALA 347 Ca -0.00 -0.19 -0.08 0.00 0.00 0.00 0.00 54.91 54.63 2c3y h ALA 347 Cb 0.42 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 2c3y h ALA 347 CO 0.03 -0.09 -0.26 0.74 0.00 0.00 0.00 179.25 179.67 2c3y h PHE 348 N 0.03 0.34 -0.33 0.00 -1.00 -1.10 -1.70 116.94 113.17 2c3y h PHE 348 Ca 0.05 -0.07 -0.16 0.00 2.81 0.00 0.00 57.97 60.60 2c3y h PHE 348 Cb 0.37 -0.09 -0.00 0.00 3.61 0.00 0.00 35.95 39.84 2c3y h PHE 348 CO 0.03 0.55 -0.41 -0.39 -1.61 0.00 0.00 178.31 176.48 2c3y h VAL 349 N 0.27 1.28 -0.08 -0.55 -1.51 -1.29 -2.76 116.25 111.62 2c3y h VAL 349 Ca 0.04 -1.59 -0.14 0.00 -1.23 0.00 0.00 66.70 63.78 2c3y h VAL 349 Cb 0.61 1.51 -0.01 0.00 -2.13 0.00 0.00 31.29 31.27 2c3y h VAL 349 CO 0.04 0.52 -0.58 -0.08 -1.23 0.00 0.00 177.57 176.25 2c3y h GLU 350 N 0.66 0.25 -0.55 5.19 4.81 -1.31 -2.55 114.58 121.08 2c3y h GLU 350 Ca 0.04 -0.17 0.04 0.00 -0.13 0.00 0.00 59.36 59.15 2c3y h GLU 350 Cb 1.01 0.02 -0.03 0.00 0.63 0.00 0.00 28.75 30.38 2c3y h GLU 350 CO 0.10 0.76 0.36 -0.09 -0.73 0.00 0.00 179.01 179.41 2c3y h ARG 351 N 0.19 0.57 -6.03 1.92 2.43 -1.21 -3.46 114.38 108.79 2c3y h ARG 351 Ca -0.00 -0.03 -0.46 0.00 -0.81 0.00 0.00 59.98 58.68 2c3y h ARG 351 Cb 1.07 -0.13 -0.02 0.00 -0.42 0.00 0.00 29.97 30.47 2c3y h ARG 351 CO 0.09 0.38 -0.72 0.41 -1.51 0.00 0.00 179.97 178.62 2c3y n GLY 352 N -1.48 -0.50 0.00 2.80 0.00 -0.96 -4.92 105.19 100.13 2c3y n GLY 352 Ca 0.07 0.18 0.00 0.00 0.00 0.00 0.00 46.02 46.27 2c3y n GLY 352 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2c3y n GLU 353 N -4.55 0.00 -1.72 1.61 1.02 -1.26 -5.10 120.64 110.64 2c3y n GLU 353 Ca 0.02 0.00 -0.43 0.00 -0.02 0.00 0.00 57.16 56.74 2c3y n GLU 353 Cb 0.54 0.00 -0.02 0.00 -0.02 0.00 0.00 31.44 31.93 2c3y n GLU 353 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2c3y n ALA 354 N -3.00 2.17 -3.91 0.62 0.00 -1.26 -4.97 120.51 110.16 2c3y n ALA 354 Ca 0.00 0.39 -0.29 0.00 0.00 0.00 0.00 53.44 53.54 2c3y n ALA 354 Cb 0.00 -2.42 -0.13 0.00 0.00 0.00 0.00 19.45 16.90 2c3y n ALA 354 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 2c3y s MET 355 N -0.25 2.19 0.97 0.00 -1.94 -1.26 -5.01 119.30 114.00 2c3y s MET 355 Ca 0.67 -2.97 -0.12 0.00 -1.71 0.00 0.00 55.69 51.56 2c3y s MET 355 Cb -0.54 -3.32 0.17 0.00 2.01 0.00 0.00 34.83 33.15 2c3y s MET 355 CO 0.47 -1.20 1.09 -1.25 -0.01 0.00 0.00 175.02 174.11 2c3y s PRO 356 N -0.86 0.64 -0.02 2.03 0.04 -1.26 -4.93 135.00 130.63 2c3y s PRO 356 Ca 0.21 0.72 -0.30 0.00 0.04 0.00 0.00 61.00 61.67 2c3y s PRO 356 Cb -0.15 -1.75 -0.04 0.00 0.04 0.00 0.00 34.50 32.61 2c3y s PRO 356 CO -0.09 -2.64 1.16 0.21 0.04 0.00 0.00 177.00 175.68 2c3y s LYS 357 N -4.88 4.41 -0.18 4.56 2.20 -0.58 -4.89 119.74 120.36 2c3y s LYS 357 Ca 0.65 1.65 -0.03 0.00 -0.36 0.00 0.00 55.97 57.87 2c3y s LYS 357 Cb -0.19 -3.49 -0.02 0.00 -1.51 0.00 0.00 37.83 32.63 2c3y s LYS 357 CO 0.58 -0.33 -0.05 0.42 -0.36 0.00 0.00 175.35 175.61 2c3y s ILE 358 N 1.73 3.56 0.10 5.43 1.09 -1.26 -0.01 121.20 131.85 2c3y s ILE 358 Ca 0.56 -0.45 0.08 0.00 -1.10 0.00 0.00 60.65 59.74 2c3y s ILE 358 Cb -0.25 -2.58 -0.04 0.00 -1.06 0.00 0.00 42.46 38.53 2c3y s ILE 358 CO 0.24 0.46 -0.17 -0.76 -0.10 0.00 0.00 174.94 174.61 2c3y s LEU 359 N 0.92 2.74 -0.10 2.97 1.02 0.20 -4.98 118.68 121.45 2c3y s LEU 359 Ca -0.00 -0.51 0.01 0.00 0.02 0.00 0.00 54.13 53.64 2c3y s LEU 359 Cb -0.15 -1.58 -0.02 0.00 0.02 0.00 0.00 46.19 44.46 2c3y s LEU 359 CO 0.01 0.19 -0.10 0.00 0.02 0.00 0.00 176.35 176.47 2c3y s ALA 360 N -1.11 2.78 0.00 4.21 0.00 -1.26 -0.62 121.76 125.76 2c3y s ALA 360 Ca 0.18 -0.90 0.02 0.00 0.00 0.00 0.00 51.96 51.26 2c3y s ALA 360 Cb -0.11 -1.20 -0.01 0.00 0.00 0.00 0.00 23.12 21.80 2c3y s ALA 360 CO 0.10 0.41 -0.07 0.20 0.00 0.00 0.00 175.76 176.40 2c3y s GLY 361 N -0.24 0.35 -0.07 0.00 0.00 -0.54 -1.11 107.32 105.72 2c3y s GLY 361 Ca 0.02 -0.36 -0.00 0.00 0.00 0.00 0.00 44.72 44.38 2c3y s GLY 361 CO 0.03 -0.33 -0.04 -1.60 0.00 0.00 0.00 173.10 171.16 2c3y s ARG 362 N -0.39 2.83 0.30 2.90 3.52 0.31 -0.72 118.95 127.70 2c3y s ARG 362 Ca 0.01 -0.50 -0.13 0.00 -0.13 0.00 0.00 55.73 54.97 2c3y s ARG 362 Cb -0.04 -2.66 0.02 0.00 -1.56 0.00 0.00 34.95 30.70 2c3y s ARG 362 CO -0.00 0.68 0.60 1.52 -0.81 0.00 0.00 175.30 177.28 2c3y s TYR 363 N -0.85 0.32 -0.85 5.12 1.13 -1.05 -1.76 117.35 119.41 2c3y s TYR 363 Ca 0.13 -0.75 0.00 0.00 -1.41 0.00 0.00 57.07 55.04 2c3y s TYR 363 Cb -0.11 0.39 0.00 0.00 -1.10 0.00 0.00 41.96 41.14 2c3y s TYR 363 CO 0.02 -1.20 0.00 0.41 -2.51 0.00 0.00 175.55 172.27 2c3y n GLY 364 N -0.46 0.51 3.72 5.49 0.00 -1.26 -4.35 105.19 108.84 2c3y n GLY 364 Ca -0.03 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.56 2c3y n GLY 364 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2c3y n LEU 365 N -1.80 3.93 -3.76 0.99 4.32 -1.26 -2.24 117.00 117.18 2c3y n LEU 365 Ca -0.09 1.14 -0.24 0.00 -0.02 0.00 0.00 56.01 56.80 2c3y n LEU 365 Cb 0.34 -1.54 0.03 0.00 -1.62 0.00 0.00 43.42 40.64 2c3y n LEU 365 CO 0.12 -0.04 0.01 0.61 -1.22 0.00 0.00 177.39 176.87 2c3y n GLY 366 N 2.37 -0.37 2.50 -0.72 0.00 -1.17 -1.79 105.19 106.00 2c3y n GLY 366 Ca 0.10 0.15 -0.20 0.00 0.00 0.00 0.00 46.02 46.07 2c3y n GLY 366 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2c3y n SER 367 N -2.99 -5.62 -4.73 1.61 7.64 0.21 -4.55 113.62 105.19 2c3y n SER 367 Ca -0.18 0.27 -0.42 0.00 1.01 0.00 0.00 58.87 59.55 2c3y n SER 367 Cb 0.62 -4.79 -0.00 0.00 -1.01 0.00 0.00 64.21 59.03 2c3y n SER 367 CO 0.00 0.00 0.00 1.17 -3.01 0.00 0.00 175.04 173.20 2c3y n LYS 368 N -2.66 2.35 -1.69 1.43 3.00 -0.74 -4.86 118.16 114.98 2c3y n LYS 368 Ca -0.22 0.82 -0.42 0.00 -0.00 0.00 0.00 58.31 58.49 2c3y n LYS 368 Cb 0.68 -2.47 -0.00 0.00 0.00 0.00 0.00 35.03 33.23 2c3y n LYS 368 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.40 177.79 2c3y n GLU 369 N 0.49 2.02 -3.65 1.64 -0.58 -1.26 -4.32 120.64 114.98 2c3y n GLU 369 Ca 0.03 0.71 -0.29 0.00 -0.42 0.00 0.00 57.16 57.19 2c3y n GLU 369 Cb 0.37 -2.30 -0.13 0.00 -0.57 0.00 0.00 31.44 28.82 2c3y n GLU 369 CO 0.00 0.00 0.00 0.12 -0.48 0.00 0.00 177.13 176.77 2c3y s PHE 370 N -1.12 1.69 0.52 -0.32 2.19 -1.26 -4.67 117.98 115.02 2c3y s PHE 370 Ca 0.57 -2.24 0.06 0.00 0.33 0.00 0.00 56.93 55.65 2c3y s PHE 370 Cb -0.56 -1.66 0.05 0.00 -1.31 0.00 0.00 43.02 39.53 2c3y s PHE 370 CO 0.61 -0.79 0.72 -1.54 1.83 0.00 0.00 175.22 176.05 2c3y s SER 371 N 0.52 5.28 0.22 6.13 1.04 -1.26 -4.72 113.70 120.92 2c3y s SER 371 Ca 0.18 -0.42 -0.07 0.00 0.48 0.00 0.00 55.95 56.11 2c3y s SER 371 Cb -0.24 -0.40 0.31 0.00 0.10 0.00 0.00 66.02 65.78 2c3y s SER 371 CO 0.00 -1.12 1.80 -0.65 0.98 0.00 0.00 173.24 174.25 2c3y h PRO 372 N 0.26 0.66 -0.88 4.02 0.11 -1.97 -0.87 132.00 133.33 2c3y h PRO 372 Ca -0.38 -0.04 0.09 0.00 0.11 0.00 0.00 66.00 65.79 2c3y h PRO 372 Cb 1.28 -0.15 -0.06 0.00 0.11 0.00 0.00 31.00 32.18 2c3y h PRO 372 CO 0.45 0.43 0.57 0.00 -0.21 0.00 0.00 178.00 179.24 2c3y h ALA 373 N 1.40 1.63 -0.14 -0.75 0.00 -1.92 0.27 119.26 119.75 2c3y h ALA 373 Ca 0.34 -0.01 -0.17 0.00 0.00 0.00 0.00 54.91 55.07 2c3y h ALA 373 Cb 0.29 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 2c3y h ALA 373 CO -0.23 0.19 -0.62 0.52 0.00 0.00 0.00 179.25 179.12 2c3y h MET 374 N 0.89 0.49 -0.63 0.00 2.86 -1.57 -1.98 114.93 114.98 2c3y h MET 374 Ca 0.40 -0.34 -0.08 0.00 -2.06 0.00 0.00 59.70 57.63 2c3y h MET 374 Cb 0.38 0.05 -0.02 0.00 0.06 0.00 0.00 31.60 32.07 2c3y h MET 374 CO -0.17 0.95 0.09 0.28 1.06 0.00 0.00 176.91 179.12 2c3y h VAL 375 N 0.36 1.26 -0.79 -2.22 2.07 0.25 -2.07 116.25 115.11 2c3y h VAL 375 Ca -0.01 -1.04 0.01 0.00 0.82 0.00 0.00 66.70 66.48 2c3y h VAL 375 Cb 1.17 0.71 -0.04 0.00 -1.52 0.00 0.00 31.29 31.61 2c3y h VAL 375 CO 0.11 0.39 0.52 0.50 0.02 0.00 0.00 177.57 179.11 2c3y h LYS 376 N 0.96 1.02 -0.62 1.57 1.63 -0.35 -1.72 116.57 119.06 2c3y h LYS 376 Ca 0.19 -0.06 -0.05 0.00 -0.85 0.00 0.00 60.65 59.87 2c3y h LYS 376 Cb 0.45 -0.23 -0.03 0.00 -0.60 0.00 0.00 32.23 31.83 2c3y h LYS 376 CO 0.02 0.67 0.18 0.77 -3.45 0.00 0.00 179.45 177.64 2c3y h SER 377 N 1.05 0.92 -0.53 4.20 0.02 -0.83 -0.03 113.55 118.33 2c3y h SER 377 Ca 0.29 -0.22 -0.02 0.00 -0.84 0.00 0.00 61.79 61.01 2c3y h SER 377 Cb -0.09 -0.24 -0.02 0.00 0.14 0.00 0.00 62.40 62.18 2c3y h SER 377 CO -0.07 0.89 0.26 0.58 -1.14 0.00 0.00 176.83 177.36 2c3y h VAL 378 N 0.90 1.20 -0.26 2.27 2.07 -0.69 0.88 116.25 122.61 2c3y h VAL 378 Ca 0.20 -0.55 -0.17 0.00 0.82 0.00 0.00 66.70 67.00 2c3y h VAL 378 Cb 0.31 0.58 -0.00 0.00 -1.52 0.00 0.00 31.29 30.66 2c3y h VAL 378 CO -0.00 0.22 -0.52 1.88 0.02 0.00 0.00 177.57 179.16 2c3y h TYR 379 N 0.72 0.94 -0.25 1.57 0.99 -1.20 -2.96 116.97 116.78 2c3y h TYR 379 Ca 0.18 -0.32 -0.08 0.00 2.00 0.00 0.00 58.73 60.51 2c3y h TYR 379 Cb 0.11 -0.18 -0.01 0.00 1.00 0.00 0.00 36.73 37.65 2c3y h TYR 379 CO -0.01 1.11 -0.18 -0.44 -0.00 0.00 0.00 178.16 178.65 2c3y h ASP 380 N 0.58 0.43 -0.26 3.88 3.32 -0.78 -2.60 116.42 120.99 2c3y h ASP 380 Ca 0.02 -0.12 -0.02 0.00 0.02 0.00 0.00 57.03 56.93 2c3y h ASP 380 Cb 1.10 -0.11 -0.02 0.00 0.22 0.00 0.00 39.33 40.52 2c3y h ASP 380 CO 0.11 0.62 0.11 -1.13 -1.72 0.00 0.00 179.24 177.24 2c3y h ASN 381 N 0.40 0.41 1.39 6.45 -1.24 -0.67 -0.36 115.58 121.96 2c3y h ASN 381 Ca 0.07 -0.04 -0.01 0.00 0.71 0.00 0.00 56.30 57.03 2c3y h ASN 381 Cb 0.54 -0.10 -0.00 0.00 0.73 0.00 0.00 38.32 39.49 2c3y h ASN 381 CO 0.04 0.39 -0.02 0.24 -1.29 0.00 0.00 177.43 176.78 2c3y h MET 382 N 0.45 0.00 0.00 6.67 2.86 -1.36 0.27 114.93 123.82 2c3y h MET 382 Ca 0.11 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.75 2c3y h MET 382 Cb 0.12 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.78 2c3y h MET 382 CO -0.01 0.02 -1.16 -1.13 1.06 0.00 0.00 176.91 175.70 2c3y n SER 383 N -3.12 0.80 0.00 1.22 3.41 -0.84 -4.83 113.62 110.27 2c3y n SER 383 Ca 0.02 -0.75 0.00 0.00 -0.26 0.00 0.00 58.87 57.88 2c3y n SER 383 Cb 0.41 1.21 0.00 0.00 -0.26 0.00 0.00 64.21 65.57 2c3y n SER 383 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2c3y n GLY 384 N 1.44 1.19 0.30 5.00 0.00 -0.20 -4.95 105.19 107.96 2c3y n GLY 384 Ca 0.02 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.18 2c3y n GLY 384 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2c3y h ALA 385 N -0.17 1.85 -6.06 4.61 0.00 -1.81 -3.47 119.26 114.21 2c3y h ALA 385 Ca 0.00 -0.00 -0.42 0.00 0.00 0.00 0.00 54.91 54.49 2c3y h ALA 385 Cb 0.00 0.01 0.06 0.00 0.00 0.00 0.00 17.79 17.85 2c3y h ALA 385 CO 0.00 -0.14 -0.80 1.63 0.00 0.00 0.00 179.25 179.94 2c3y n LYS 386 N -4.12 -5.45 -2.06 0.00 5.02 0.93 -4.91 118.16 107.56 2c3y n LYS 386 Ca -0.01 0.66 -0.41 0.00 -2.02 0.00 0.00 58.31 56.53 2c3y n LYS 386 Cb 0.20 -5.37 -0.02 0.00 -0.02 0.00 0.00 35.03 29.81 2c3y n LYS 386 CO 0.00 0.00 0.00 0.21 -0.52 0.00 0.00 177.40 177.09 2c3y s LYS 387 N -6.05 4.30 0.25 1.97 2.20 -1.26 -5.01 119.74 116.14 2c3y s LYS 387 Ca 0.17 2.27 0.07 0.00 -0.36 0.00 0.00 55.97 58.12 2c3y s LYS 387 Cb -0.08 -3.09 -0.04 0.00 -1.51 0.00 0.00 37.83 33.11 2c3y s LYS 387 CO 0.80 -0.32 0.22 1.21 -0.36 0.00 0.00 175.35 176.90 2c3y s ASN 388 N -0.02 5.61 -1.37 1.43 2.47 -1.26 -4.58 114.94 117.22 2c3y s ASN 388 Ca 0.54 -0.22 -0.05 0.00 0.42 0.00 0.00 52.86 53.56 2c3y s ASN 388 Cb -0.41 -1.45 0.00 0.00 -1.45 0.00 0.00 41.25 37.94 2c3y s ASN 388 CO 0.48 -0.04 0.44 1.41 -3.72 0.00 0.00 177.10 175.67 2c3y n HIS 389 N -1.21 -1.63 -2.81 0.43 8.25 -0.27 -4.91 115.22 113.08 2c3y n HIS 389 Ca -0.08 0.65 -0.20 0.00 -0.26 0.00 0.00 57.72 57.83 2c3y n HIS 389 Cb 0.58 -3.55 0.05 0.00 1.12 0.00 0.00 29.99 28.19 2c3y n HIS 389 CO 0.00 0.00 0.00 -0.59 0.64 0.00 0.00 176.34 176.39 2c3y s PHE 390 N -3.91 2.21 0.08 4.41 -0.12 -0.55 -4.92 117.98 115.18 2c3y s PHE 390 Ca 0.10 -0.34 0.06 0.00 -0.05 0.00 0.00 56.93 56.70 2c3y s PHE 390 Cb -0.04 -2.59 -0.03 0.00 -0.63 0.00 0.00 43.02 39.73 2c3y s PHE 390 CO 0.90 -1.02 -0.15 0.95 -0.05 0.00 0.00 175.22 175.85 2c3y s THR 391 N -2.73 1.23 -0.02 -4.49 -4.23 -0.05 -0.53 115.64 104.82 2c3y s THR 391 Ca 0.60 -1.38 0.00 0.00 -1.18 0.00 0.00 61.69 59.73 2c3y s THR 391 Cb -0.08 -1.19 0.03 0.00 1.34 0.00 0.00 72.50 72.60 2c3y s THR 391 CO 0.39 -0.21 0.02 -0.69 -0.54 0.00 0.00 174.62 173.58 2c3y s VAL 392 N -1.33 0.02 0.00 2.29 1.01 -0.72 -1.13 120.40 120.54 2c3y s VAL 392 Ca 0.00 0.15 0.00 0.00 0.00 0.00 0.00 61.98 62.13 2c3y s VAL 392 Cb -0.10 -0.13 0.00 0.00 0.00 0.00 0.00 36.38 36.15 2c3y s VAL 392 CO 0.03 0.10 0.00 0.61 0.00 0.00 0.00 175.10 175.83 2c3y n GLY 393 N 4.04 1.51 3.31 4.51 0.00 -1.26 -4.37 105.19 112.93 2c3y n GLY 393 Ca -0.26 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.60 2c3y n GLY 393 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2c3y s ILE 394 N -2.01 0.68 -0.40 -0.61 -4.36 -1.26 -4.93 121.20 108.31 2c3y s ILE 394 Ca 0.00 -2.00 -0.04 0.00 -0.26 0.00 0.00 60.65 58.35 2c3y s ILE 394 Cb 0.00 -2.52 0.09 0.00 1.25 0.00 0.00 42.46 41.29 2c3y s ILE 394 CO 0.00 -0.13 0.19 -0.70 0.24 0.00 0.00 174.94 174.54 2c3y s GLU 395 N -3.98 2.23 -1.10 0.37 2.12 -1.26 -4.68 118.70 112.40 2c3y s GLU 395 Ca 0.34 -1.64 -0.15 0.00 0.36 0.00 0.00 54.97 53.88 2c3y s GLU 395 Cb 0.07 -3.58 0.17 0.00 0.26 0.00 0.00 34.13 31.05 2c3y s GLU 395 CO 0.11 -0.98 1.29 0.34 -0.54 0.00 0.00 175.26 175.48 2c3y s ASP 396 N 1.84 6.94 0.00 -1.70 3.68 -1.26 -2.08 116.67 124.09 2c3y s ASP 396 Ca 0.05 -2.72 0.17 0.00 2.13 0.00 0.00 52.55 52.18 2c3y s ASP 396 Cb -0.22 -2.38 0.76 0.00 -1.45 0.00 0.00 42.92 39.62 2c3y s ASP 396 CO -0.02 -0.81 1.52 -0.90 0.13 0.00 0.00 175.17 175.09 2c3y n ASP 397 N 5.67 0.97 -0.13 -0.34 5.75 -1.26 -1.30 116.55 125.91 2c3y n ASP 397 Ca 0.31 -1.67 -0.26 0.00 -0.01 0.00 0.00 54.79 53.16 2c3y n ASP 397 Cb 0.45 -0.07 -0.09 0.00 -1.03 0.00 0.00 41.12 40.37 2c3y n ASP 397 CO 0.00 0.00 0.00 1.33 -0.11 0.00 0.00 177.20 178.42 2c3y n VAL 398 N -0.11 1.52 0.53 2.12 0.24 -1.26 -4.68 118.33 116.69 2c3y n VAL 398 Ca 0.13 -0.26 0.06 0.00 -2.04 0.00 0.00 64.34 62.24 2c3y n VAL 398 Cb 0.21 -1.97 0.02 0.00 -1.47 0.00 0.00 33.84 30.62 2c3y n VAL 398 CO 0.00 0.00 0.00 0.35 -2.14 0.00 0.00 176.83 175.04 2c3y n THR 399 N -4.31 0.00 -3.14 3.34 -2.24 -1.26 -5.02 114.28 101.66 2c3y n THR 399 Ca -0.46 -0.42 -0.20 0.00 -2.27 0.00 0.00 64.05 60.70 2c3y n THR 399 Cb 0.80 1.19 0.05 0.00 -2.10 0.00 0.00 70.33 70.26 2c3y n THR 399 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2c3y n GLY 400 N 0.87 -0.37 0.02 3.38 0.00 -0.42 -4.93 105.19 103.73 2c3y n GLY 400 Ca 0.06 0.07 0.12 0.00 0.00 0.00 0.00 46.02 46.27 2c3y n GLY 400 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2c3y n THR 401 N -4.51 0.00 -3.01 2.61 -2.24 -1.25 -4.97 114.28 100.92 2c3y n THR 401 Ca -0.06 -0.01 -0.33 0.00 -2.27 0.00 0.00 64.05 61.38 2c3y n THR 401 Cb 0.59 0.42 -0.06 0.00 -2.10 0.00 0.00 70.33 69.17 2c3y n THR 401 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 2c3y s SER 402 N -2.97 6.89 0.01 3.42 1.04 -1.26 -0.87 113.70 119.97 2c3y s SER 402 Ca 0.11 1.46 -0.20 0.00 0.48 0.00 0.00 55.95 57.80 2c3y s SER 402 Cb 0.17 -2.44 -0.06 0.00 0.10 0.00 0.00 66.02 63.79 2c3y s SER 402 CO 0.72 -0.22 0.58 -0.76 0.98 0.00 0.00 173.24 174.54 2c3y s LEU 403 N -2.89 4.44 0.46 2.42 1.02 -0.28 -4.87 118.68 118.98 2c3y s LEU 403 Ca 0.55 1.17 -0.23 0.00 0.02 0.00 0.00 54.13 55.64 2c3y s LEU 403 Cb -0.11 -2.90 -0.07 0.00 0.02 0.00 0.00 46.19 43.13 2c3y s LEU 403 CO 0.17 0.14 1.19 -2.16 0.02 0.00 0.00 176.35 175.71 2c3y s PRO 404 N -0.39 3.73 -0.16 1.29 0.04 -1.26 -4.75 135.00 133.50 2c3y s PRO 404 Ca 0.30 1.84 0.01 0.00 0.04 0.00 0.00 61.00 63.19 2c3y s PRO 404 Cb -0.18 -2.43 0.02 0.00 0.04 0.00 0.00 34.50 31.95 2c3y s PRO 404 CO 0.17 -0.60 -0.16 0.08 0.04 0.00 0.00 177.00 176.54 2c3y s VAL 405 N -1.50 1.73 -0.63 -0.36 1.01 -1.26 -4.79 120.40 114.61 2c3y s VAL 405 Ca 0.64 -0.76 -0.21 0.00 0.00 0.00 0.00 61.98 61.64 2c3y s VAL 405 Cb -0.30 -1.62 0.09 0.00 0.00 0.00 0.00 36.38 34.54 2c3y s VAL 405 CO 0.37 0.46 0.84 -0.62 0.00 0.00 0.00 175.10 176.15 2c3y s ASP 406 N 1.42 6.18 0.00 3.32 3.68 -1.26 -4.91 116.67 125.10 2c3y s ASP 406 Ca 0.04 -1.20 0.13 0.00 2.13 0.00 0.00 52.55 53.65 2c3y s ASP 406 Cb -0.13 -2.36 0.79 0.00 -1.45 0.00 0.00 42.92 39.77 2c3y s ASP 406 CO -0.11 -1.28 1.27 0.59 0.13 0.00 0.00 175.17 175.76 2c3y n ASN 407 N 7.03 0.00 -0.27 -0.34 3.02 -1.26 -2.52 115.26 120.92 2c3y n ASN 407 Ca -0.07 -0.87 0.15 0.00 -0.03 0.00 0.00 54.58 53.76 2c3y n ASN 407 Cb 0.44 0.00 0.66 0.00 -0.61 0.00 0.00 39.78 40.27 2c3y n ASN 407 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2c3y n ALA 408 N -0.82 2.66 -1.61 5.41 0.00 -1.26 -4.91 120.51 119.97 2c3y n ALA 408 Ca 0.10 -0.34 -0.46 0.00 0.00 0.00 0.00 53.44 52.74 2c3y n ALA 408 Cb 0.05 -1.30 -0.03 0.00 0.00 0.00 0.00 19.45 18.17 2c3y n ALA 408 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2c3y n PHE 409 N -0.37 1.54 -1.56 0.00 -0.00 -1.05 -4.90 117.46 111.13 2c3y n PHE 409 Ca 0.20 0.62 -0.36 0.00 -0.00 0.00 0.00 57.45 57.91 2c3y n PHE 409 Cb 0.27 -2.32 0.09 0.00 -0.00 0.00 0.00 39.48 37.52 2c3y n PHE 409 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 2c3y n ALA 410 N 1.08 0.85 -1.93 3.13 0.00 -1.26 -4.93 120.51 117.45 2c3y n ALA 410 Ca 0.12 -0.09 -0.42 0.00 0.00 0.00 0.00 53.44 53.05 2c3y n ALA 410 Cb 0.29 -2.31 -0.03 0.00 0.00 0.00 0.00 19.45 17.41 2c3y n ALA 410 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2c3y s ASP 411 N -1.58 6.66 0.00 0.00 -1.08 -1.26 -4.92 116.67 114.49 2c3y s ASP 411 Ca 0.80 2.61 0.12 0.00 -0.52 0.00 0.00 52.55 55.56 2c3y s ASP 411 Cb -0.36 -2.61 0.29 0.00 -1.46 0.00 0.00 42.92 38.78 2c3y s ASP 411 CO 0.43 -0.73 1.20 0.35 0.52 0.00 0.00 175.17 176.95 2c3y n THR 412 N 2.97 0.79 -1.95 1.71 -2.24 -1.26 -5.02 114.28 109.28 2c3y n THR 412 Ca 0.09 -0.90 -0.35 0.00 -2.27 0.00 0.00 64.05 60.62 2c3y n THR 412 Cb 0.40 0.66 0.04 0.00 -2.10 0.00 0.00 70.33 69.33 2c3y n THR 412 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 2c3y s THR 413 N -1.01 2.71 0.55 4.28 -4.23 -1.26 -4.80 115.64 111.89 2c3y s THR 413 Ca 0.24 0.42 -0.20 0.00 -1.18 0.00 0.00 61.69 60.97 2c3y s THR 413 Cb 0.13 -3.12 -0.07 0.00 1.34 0.00 0.00 72.50 70.78 2c3y s THR 413 CO 0.17 -0.12 0.88 -2.65 -0.54 0.00 0.00 174.62 172.37 2c3y n PRO 414 N -1.77 0.92 -1.72 3.99 -0.02 -1.26 -4.85 135.00 130.30 2c3y n PRO 414 Ca 0.13 0.35 -0.43 0.00 -2.02 0.00 0.00 63.50 61.53 2c3y n PRO 414 Cb 0.50 -2.04 -0.02 0.00 -0.02 0.00 0.00 33.50 31.91 2c3y n PRO 414 CO 0.00 0.00 0.00 1.17 1.98 0.00 0.00 175.50 178.65 2c3y n LYS 415 N -0.55 2.51 0.00 -0.52 4.81 -1.26 -2.08 118.16 121.07 2c3y n LYS 415 Ca 0.12 0.90 0.00 0.00 -0.87 0.00 0.00 58.31 58.46 2c3y n LYS 415 Cb 0.45 -2.66 0.00 0.00 0.02 0.00 0.00 35.03 32.85 2c3y n LYS 415 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2c3y n GLY 416 N 2.48 1.30 3.72 3.14 0.00 -1.26 -4.77 105.19 109.80 2c3y n GLY 416 Ca 0.11 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.71 2c3y n GLY 416 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2c3y s THR 417 N -2.30 2.67 -0.24 2.61 2.01 -0.88 -4.72 115.64 114.78 2c3y s THR 417 Ca 0.00 0.49 -0.09 0.00 0.31 0.00 0.00 61.69 62.40 2c3y s THR 417 Cb 0.00 -3.31 -0.04 0.00 0.01 0.00 0.00 72.50 69.16 2c3y s THR 417 CO 0.00 0.04 0.12 -0.63 -0.69 0.00 0.00 174.62 173.46 2c3y s ILE 418 N 1.00 4.82 -0.14 1.82 1.01 0.14 -4.95 121.20 124.90 2c3y s ILE 418 Ca 0.68 -0.00 -0.02 0.00 0.00 0.00 0.00 60.65 61.31 2c3y s ILE 418 Cb -0.43 -3.25 -0.03 0.00 0.01 0.00 0.00 42.46 38.76 2c3y s ILE 418 CO 0.33 0.34 -0.05 -1.10 0.00 0.00 0.00 174.94 174.45 2c3y s GLN 419 N 1.36 3.47 0.10 2.79 -0.21 -1.26 -1.39 119.66 124.52 2c3y s GLN 419 Ca 0.06 -0.54 0.07 0.00 0.02 0.00 0.00 55.36 54.97 2c3y s GLN 419 Cb -0.15 -2.82 -0.03 0.00 1.00 0.00 0.00 33.01 31.01 2c3y s GLN 419 CO 0.05 0.32 -0.18 0.00 -2.12 0.00 0.00 175.29 173.36 2c3y s GLN 421 N -2.06 0.64 -0.09 0.00 -0.21 -0.50 -1.00 119.66 116.44 2c3y s GLN 421 Ca 0.06 -0.22 0.01 0.00 0.02 0.00 0.00 55.36 55.22 2c3y s GLN 421 Cb -0.09 -0.63 0.02 0.00 1.00 0.00 0.00 33.01 33.31 2c3y s GLN 421 CO 0.04 0.10 -0.09 -0.06 -2.12 0.00 0.00 175.29 173.16 2c3y s PHE 422 N 0.07 1.42 -0.38 0.91 0.40 -0.24 -1.39 117.98 118.77 2c3y s PHE 422 Ca -0.01 -0.61 -0.14 0.00 -0.60 0.00 0.00 56.93 55.58 2c3y s PHE 422 Cb -0.06 -1.12 0.01 0.00 0.51 0.00 0.00 43.02 42.36 2c3y s PHE 422 CO -0.00 -0.39 0.26 -1.58 0.70 0.00 0.00 175.22 174.21 2c3y s TRP 423 N 1.21 3.23 0.38 0.36 0.52 0.11 -0.39 118.94 124.36 2c3y s TRP 423 Ca -0.05 -0.54 0.06 0.00 0.02 0.00 0.00 56.10 55.59 2c3y s TRP 423 Cb -0.14 -2.53 -0.07 0.00 -1.15 0.00 0.00 33.47 29.58 2c3y s TRP 423 CO -0.03 -0.53 0.02 0.20 0.02 0.00 0.00 176.95 176.63 2c3y s GLY 424 N 1.67 2.34 -0.03 0.98 0.00 0.76 0.02 107.32 113.06 2c3y s GLY 424 Ca 0.05 -2.21 -0.00 0.00 0.00 0.00 0.00 44.72 42.55 2c3y s GLY 424 CO 0.09 -2.00 0.02 -2.27 0.00 0.00 0.00 173.10 168.95 2c3y s LEU 425 N -3.63 3.66 0.17 0.66 2.96 -1.26 -1.41 118.68 119.82 2c3y s LEU 425 Ca 0.35 0.10 -0.33 0.00 -0.22 0.00 0.00 54.13 54.02 2c3y s LEU 425 Cb 0.09 -2.01 -0.15 0.00 0.50 0.00 0.00 46.19 44.62 2c3y s LEU 425 CO 0.17 0.32 1.36 0.61 -1.32 0.00 0.00 176.35 177.48 2c3y n GLY 426 N 1.62 0.58 2.24 7.98 0.00 0.30 -1.84 105.19 116.05 2c3y n GLY 426 Ca -0.16 0.58 -0.01 0.00 0.00 0.00 0.00 46.02 46.43 2c3y n GLY 426 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2c3y n ALA 427 N 2.23 -0.02 0.80 4.61 0.00 -1.26 -4.66 120.51 122.21 2c3y n ALA 427 Ca 0.15 0.02 0.10 0.00 0.00 0.00 0.00 53.44 53.71 2c3y n ALA 427 Cb 0.26 -0.52 0.28 0.00 0.00 0.00 0.00 19.45 19.47 2c3y n ALA 427 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 2c3y n ASP 428 N 0.09 2.32 0.00 0.00 5.68 -0.77 -4.94 116.55 118.93 2c3y n ASP 428 Ca -0.01 -1.87 0.00 0.00 -0.50 0.00 0.00 54.79 52.41 2c3y n ASP 428 Cb 0.14 -0.20 0.00 0.00 -1.14 0.00 0.00 41.12 39.92 2c3y n ASP 428 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2c3y n GLY 429 N 1.24 0.44 0.07 6.12 0.00 -1.26 -4.03 105.19 107.77 2c3y n GLY 429 Ca 0.17 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.06 2c3y n GLY 429 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 2c3y h THR 430 N 0.00 0.98 -0.72 2.61 2.02 -1.92 -0.93 112.91 114.95 2c3y h THR 430 Ca 0.00 -0.11 0.04 0.00 0.77 0.00 0.00 66.41 67.11 2c3y h THR 430 Cb 0.20 1.05 -0.05 0.00 -1.74 0.00 0.00 68.15 67.61 2c3y h THR 430 CO 0.00 0.03 0.44 0.58 0.37 0.00 0.00 175.52 176.94 2c3y h VAL 431 N -0.12 1.06 -0.46 3.16 2.07 -1.95 0.50 116.25 120.51 2c3y h VAL 431 Ca -0.01 -0.29 -0.03 0.00 0.82 0.00 0.00 66.70 67.19 2c3y h VAL 431 Cb 0.10 0.14 -0.02 0.00 -1.52 0.00 0.00 31.29 29.99 2c3y h VAL 431 CO 0.01 0.15 0.17 1.23 0.02 0.00 0.00 177.57 179.16 2c3y h GLY 432 N 0.84 0.74 1.00 2.17 0.00 -1.94 -0.91 103.07 104.98 2c3y h GLY 432 Ca 0.30 -0.42 -0.01 0.00 0.00 0.00 0.00 47.33 47.20 2c3y h GLY 432 CO -0.13 0.39 0.39 0.00 0.00 0.00 0.00 176.54 177.19 2c3y h ALA 433 N 1.02 0.89 -0.76 3.60 0.00 -0.61 -0.90 119.26 122.51 2c3y h ALA 433 Ca 0.15 -0.10 -0.05 0.00 0.00 0.00 0.00 54.91 54.90 2c3y h ALA 433 Cb 0.22 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 17.69 2c3y h ALA 433 CO -0.01 0.40 0.27 -0.91 0.00 0.00 0.00 179.25 179.00 2c3y h ASN 434 N 0.96 1.07 -0.45 0.00 2.35 -0.62 -0.38 115.58 118.51 2c3y h ASN 434 Ca 0.25 -0.18 -0.05 0.00 -0.55 0.00 0.00 56.30 55.76 2c3y h ASN 434 Cb 0.02 -0.28 -0.02 0.00 0.05 0.00 0.00 38.32 38.10 2c3y h ASN 434 CO -0.04 0.97 0.08 0.11 -1.65 0.00 0.00 177.43 176.89 2c3y h LYS 435 N 1.11 0.75 -0.88 0.81 1.57 -0.79 -1.52 116.57 117.62 2c3y h LYS 435 Ca 0.25 -0.20 -0.00 0.00 -1.87 0.00 0.00 60.65 58.83 2c3y h LYS 435 Cb 0.26 -0.09 -0.04 0.00 0.08 0.00 0.00 32.23 32.44 2c3y h LYS 435 CO -0.01 0.76 0.53 1.96 -0.57 0.00 0.00 179.45 182.13 2c3y h GLN 436 N 0.61 1.19 -0.41 3.15 1.08 -0.85 -1.10 115.11 118.79 2c3y h GLN 436 Ca 0.14 -0.10 -0.02 0.00 -1.45 0.00 0.00 58.65 57.21 2c3y h GLN 436 Cb 0.38 -0.25 -0.02 0.00 -0.05 0.00 0.00 27.48 27.54 2c3y h GLN 436 CO 0.01 0.83 0.16 0.00 -0.95 0.00 0.00 178.83 178.88 2c3y h ALA 437 N 1.38 0.53 -0.51 3.87 0.00 -0.73 0.30 119.26 124.10 2c3y h ALA 437 Ca 0.32 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 55.08 2c3y h ALA 437 Cb -0.06 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.55 2c3y h ALA 437 CO -0.06 0.13 0.27 0.82 0.00 0.00 0.00 179.25 180.41 2c3y h ILE 438 N 0.51 1.18 0.09 0.00 2.04 -0.85 0.19 117.51 120.68 2c3y h ILE 438 Ca 0.14 -0.47 0.00 0.00 1.00 0.00 0.00 64.86 65.52 2c3y h ILE 438 Cb 0.19 0.56 -0.01 0.00 -0.74 0.00 0.00 36.82 36.82 2c3y h ILE 438 CO -0.01 0.20 -0.07 0.11 0.00 0.00 0.00 178.15 178.37 2c3y h LYS 439 N 0.68 -0.16 0.46 2.37 6.56 -0.95 -0.08 116.57 125.45 2c3y h LYS 439 Ca 0.18 0.01 -0.01 0.00 -1.06 0.00 0.00 60.65 59.77 2c3y h LYS 439 Cb 0.07 0.04 -0.01 0.00 -0.57 0.00 0.00 32.23 31.75 2c3y h LYS 439 CO -0.03 -0.11 -0.36 0.82 -2.06 0.00 0.00 179.45 177.72 2c3y h ILE 440 N -0.17 0.27 -0.75 1.86 2.04 -0.67 -0.16 117.51 119.94 2c3y h ILE 440 Ca -0.00 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 65.86 2c3y h ILE 440 Cb 0.15 0.27 -0.04 0.00 -0.74 0.00 0.00 36.82 36.47 2c3y h ILE 440 CO -0.01 0.00 0.46 0.40 0.00 0.00 0.00 178.15 179.00 2c3y h ILE 441 N -0.80 1.21 -0.58 -0.67 2.04 -0.97 -1.98 117.51 115.76 2c3y h ILE 441 Ca -0.05 -0.44 -0.05 0.00 1.00 0.00 0.00 64.86 65.32 2c3y h ILE 441 Cb 0.69 0.15 -0.03 0.00 -0.74 0.00 0.00 36.82 36.89 2c3y h ILE 441 CO -0.00 0.21 0.16 1.23 0.00 0.00 0.00 178.15 179.75 2c3y h GLY 442 N 1.02 0.94 1.89 5.37 0.00 -0.86 -2.18 103.07 109.26 2c3y h GLY 442 Ca 0.27 -0.54 0.00 0.00 0.00 0.00 0.00 47.33 47.07 2c3y h GLY 442 CO -0.05 0.50 -0.06 1.22 0.00 0.00 0.00 176.54 178.15 2c3y n ASP 443 N -4.28 0.18 -0.01 0.19 10.43 -0.08 -4.03 116.55 118.95 2c3y n ASP 443 Ca 0.04 0.43 0.00 0.00 2.57 0.00 0.00 54.79 57.84 2c3y n ASP 443 Cb 0.22 -0.46 0.01 0.00 1.84 0.00 0.00 41.12 42.72 2c3y n ASP 443 CO 0.00 0.00 0.00 0.59 -1.07 0.00 0.00 177.20 176.72 2c3y n ASN 444 N -1.62 1.38 -3.85 -2.24 3.02 -0.78 -5.07 115.26 106.10 2c3y n ASN 444 Ca 0.07 -1.75 -0.13 0.00 -0.03 0.00 0.00 54.58 52.74 2c3y n ASN 444 Cb 0.35 -0.02 -0.07 0.00 -0.61 0.00 0.00 39.78 39.43 2c3y n ASN 444 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 2c3y s THR 445 N -0.77 0.00 -1.54 3.41 -4.23 -0.84 -5.03 115.64 106.65 2c3y s THR 445 Ca 0.01 -1.76 0.20 0.00 -1.18 0.00 0.00 61.69 58.97 2c3y s THR 445 Cb 0.01 -2.45 0.70 0.00 1.34 0.00 0.00 72.50 72.10 2c3y s THR 445 CO 0.00 0.00 1.60 0.47 -0.54 0.00 0.00 174.62 176.15 2c3y n ASP 446 N -0.69 4.43 -4.79 3.99 9.92 -1.26 -4.81 116.55 123.33 2c3y n ASP 446 Ca 0.02 -2.24 -0.35 0.00 -0.53 0.00 0.00 54.79 51.68 2c3y n ASP 446 Cb 0.64 -0.55 -0.05 0.00 -0.64 0.00 0.00 41.12 40.52 2c3y n ASP 446 CO 0.00 0.00 0.00 -0.76 0.13 0.00 0.00 177.20 176.57 2c3y s LEU 447 N -1.46 4.04 0.36 0.64 1.43 -1.26 -4.90 118.68 117.52 2c3y s LEU 447 Ca 0.51 1.90 -0.13 0.00 -1.03 0.00 0.00 54.13 55.38 2c3y s LEU 447 Cb 0.30 -4.34 -0.08 0.00 0.03 0.00 0.00 46.19 42.09 2c3y s LEU 447 CO 0.29 -0.48 0.75 -0.36 0.23 0.00 0.00 176.35 176.78 2c3y s PHE 448 N -1.86 3.41 -0.01 0.29 0.40 0.18 -4.77 117.98 115.62 2c3y s PHE 448 Ca 0.60 1.15 0.01 0.00 -0.60 0.00 0.00 56.93 58.10 2c3y s PHE 448 Cb -0.17 -2.50 -0.00 0.00 0.51 0.00 0.00 43.02 40.86 2c3y s PHE 448 CO 0.22 0.01 -0.04 0.00 0.70 0.00 0.00 175.22 176.10 2c3y s ALA 449 N -2.15 0.39 -0.00 5.36 0.00 -1.26 -2.48 121.76 121.62 2c3y s ALA 449 Ca 0.53 -0.17 0.02 0.00 0.00 0.00 0.00 51.96 52.34 2c3y s ALA 449 Cb -0.10 -0.12 -0.00 0.00 0.00 0.00 0.00 23.12 22.89 2c3y s ALA 449 CO 0.23 0.08 -0.05 -1.14 0.00 0.00 0.00 175.76 174.88 2c3y s GLN 450 N 0.00 0.42 0.01 0.00 0.74 -0.16 -2.54 119.66 118.13 2c3y s GLN 450 Ca 0.00 -0.18 0.01 0.00 0.05 0.00 0.00 55.36 55.24 2c3y s GLN 450 Cb -0.03 -0.41 -0.01 0.00 1.10 0.00 0.00 33.01 33.67 2c3y s GLN 450 CO -0.00 0.10 -0.02 0.20 -0.55 0.00 0.00 175.29 175.02 2c3y s GLY 451 N -0.08 0.15 -0.14 2.59 0.00 -0.03 -1.02 107.32 108.79 2c3y s GLY 451 Ca 0.02 -0.24 -0.09 0.00 0.00 0.00 0.00 44.72 44.40 2c3y s GLY 451 CO -0.00 -0.25 0.34 -0.47 0.00 0.00 0.00 173.10 172.72 2c3y s TYR 452 N -0.46 -0.44 -0.05 1.90 5.04 -0.50 -0.82 117.35 122.02 2c3y s TYR 452 Ca -0.04 1.01 0.06 0.00 -2.44 0.00 0.00 57.07 55.66 2c3y s TYR 452 Cb -0.03 0.16 -0.01 0.00 0.35 0.00 0.00 41.96 42.42 2c3y s TYR 452 CO -0.00 -0.25 -0.23 -0.06 -1.34 0.00 0.00 175.55 173.67 2c3y s PHE 453 N 0.84 2.20 -0.19 4.97 0.40 -1.26 -0.77 117.98 124.16 2c3y s PHE 453 Ca -0.05 -0.60 -0.04 0.00 -0.60 0.00 0.00 56.93 55.63 2c3y s PHE 453 Cb -0.06 -1.44 -0.02 0.00 0.51 0.00 0.00 43.02 42.00 2c3y s PHE 453 CO -0.06 -0.17 -0.02 -1.12 0.70 0.00 0.00 175.22 174.55 2c3y s SER 454 N -0.20 4.70 0.00 1.36 0.01 -0.53 -5.00 113.70 114.05 2c3y s SER 454 Ca -0.01 -0.22 0.00 0.00 1.31 0.00 0.00 55.95 57.03 2c3y s SER 454 Cb -0.12 -1.79 0.00 0.00 0.21 0.00 0.00 66.02 64.32 2c3y s SER 454 CO 0.02 0.09 0.00 -1.22 0.41 0.00 0.00 173.24 172.54 2c3y n TYR 455 N 4.09 -0.37 -4.39 2.43 4.02 -1.26 -1.45 117.16 120.23 2c3y n TYR 455 Ca -0.17 0.00 -0.23 0.00 -0.01 0.00 0.00 57.90 57.49 2c3y n TYR 455 Cb 0.52 0.00 -0.11 0.00 -0.02 0.00 0.00 39.34 39.73 2c3y n TYR 455 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 176.86 176.19 2c3y s ASP 456 N -0.78 3.08 0.35 7.72 3.68 -1.14 -4.83 116.67 124.76 2c3y s ASP 456 Ca 0.00 -0.93 0.19 0.00 2.13 0.00 0.00 52.55 53.94 2c3y s ASP 456 Cb 0.00 -0.21 0.23 0.00 -1.45 0.00 0.00 42.92 41.48 2c3y s ASP 456 CO 0.00 0.00 1.53 0.28 0.13 0.00 0.00 175.17 177.11 2c3y h SER 457 N 2.88 0.00 -3.09 -0.34 0.02 -1.96 -3.43 113.55 107.62 2c3y h SER 457 Ca -0.42 0.00 -0.54 0.00 -0.84 0.00 0.00 61.79 59.99 2c3y h SER 457 Cb 1.22 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.77 2c3y h SER 457 CO 0.54 0.29 0.66 -0.54 -1.14 0.00 0.00 176.83 176.64 2c3y s LYS 458 N -3.10 4.37 0.23 3.45 -0.14 -1.26 -4.93 119.74 118.37 2c3y s LYS 458 Ca 0.05 1.85 0.12 0.00 -1.36 0.00 0.00 55.97 56.63 2c3y s LYS 458 Cb 0.07 -3.39 0.11 0.00 -1.68 0.00 0.00 37.83 32.93 2c3y s LYS 458 CO 0.71 -0.37 1.46 0.87 -0.76 0.00 0.00 175.35 177.25 2c3y h LYS 459 N 7.06 0.00 -6.26 1.68 1.57 -1.78 -3.39 116.57 115.45 2c3y h LYS 459 Ca -0.40 0.00 -0.63 0.00 -1.87 0.00 0.00 60.65 57.75 2c3y h LYS 459 Cb 1.20 0.00 -0.28 0.00 0.08 0.00 0.00 32.23 33.23 2c3y h LYS 459 CO 0.85 0.69 -0.86 0.45 -0.57 0.00 0.00 179.45 180.01 2c3y s SER 460 N -6.62 2.66 -1.45 0.86 0.15 -1.26 -4.69 113.70 103.36 2c3y s SER 460 Ca 0.01 -0.47 -0.07 0.00 0.70 0.00 0.00 55.95 56.12 2c3y s SER 460 Cb 0.10 -0.26 0.03 0.00 -1.71 0.00 0.00 66.02 64.18 2c3y s SER 460 CO 0.77 0.23 0.62 0.61 1.20 0.00 0.00 173.24 176.67 2c3y n GLY 461 N 2.18 -0.51 3.90 9.45 0.00 -1.26 -4.95 105.19 113.99 2c3y n GLY 461 Ca -0.16 0.13 -0.29 0.00 0.00 0.00 0.00 46.02 45.70 2c3y n GLY 461 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2c3y s GLY 462 N -2.77 1.61 -0.04 -0.02 0.00 -1.26 -4.68 107.32 100.16 2c3y s GLY 462 Ca 0.37 -0.44 -0.15 0.00 0.00 0.00 0.00 44.72 44.51 2c3y s GLY 462 CO 0.46 -0.15 0.39 -1.50 0.00 0.00 0.00 173.10 172.30 2c3y s ILE 463 N -3.12 5.10 -0.02 0.90 1.10 -1.26 0.11 121.20 124.01 2c3y s ILE 463 Ca 0.55 0.79 0.04 0.00 -0.51 0.00 0.00 60.65 61.52 2c3y s ILE 463 Cb -0.11 -3.70 -0.01 0.00 0.15 0.00 0.00 42.46 38.80 2c3y s ILE 463 CO 0.49 0.53 -0.13 -0.89 -2.11 0.00 0.00 174.94 172.83 2c3y s THR 464 N -0.71 1.06 -0.10 4.00 2.01 -0.50 -2.89 115.64 118.51 2c3y s THR 464 Ca 0.23 -0.56 0.00 0.00 0.31 0.00 0.00 61.69 61.67 2c3y s THR 464 Cb -0.16 -0.89 0.02 0.00 0.01 0.00 0.00 72.50 71.48 2c3y s THR 464 CO 0.12 0.30 -0.09 -0.51 -0.69 0.00 0.00 174.62 173.75 2c3y s ILE 465 N -0.22 1.06 -0.11 1.82 1.10 -0.53 -0.17 121.20 124.15 2c3y s ILE 465 Ca 0.03 -0.34 -0.06 0.00 -0.51 0.00 0.00 60.65 59.77 2c3y s ILE 465 Cb -0.06 -1.05 -0.04 0.00 0.15 0.00 0.00 42.46 41.46 2c3y s ILE 465 CO -0.00 0.36 0.11 -0.44 -2.11 0.00 0.00 174.94 172.86 2c3y s SER 466 N 1.41 6.09 -0.27 4.50 0.01 0.48 -1.45 113.70 124.48 2c3y s SER 466 Ca -0.00 0.38 0.02 0.00 1.31 0.00 0.00 55.95 57.66 2c3y s SER 466 Cb -0.13 -1.91 0.07 0.00 0.21 0.00 0.00 66.02 64.25 2c3y s SER 466 CO -0.05 0.40 -0.04 -1.00 0.41 0.00 0.00 173.24 172.95 2c3y s HIS 467 N -1.00 2.93 0.04 2.43 3.76 0.05 -1.08 115.29 122.42 2c3y s HIS 467 Ca 0.15 -2.20 0.07 0.00 -0.15 0.00 0.00 55.06 52.93 2c3y s HIS 467 Cb -0.12 -1.98 -0.03 0.00 1.11 0.00 0.00 32.58 31.56 2c3y s HIS 467 CO 0.04 -0.85 -0.18 -0.51 -0.85 0.00 0.00 174.74 172.38 2c3y s LEU 468 N 1.21 2.59 -0.01 0.89 1.43 -0.17 -1.42 118.68 123.20 2c3y s LEU 468 Ca -0.03 -0.43 0.01 0.00 -1.03 0.00 0.00 54.13 52.65 2c3y s LEU 468 Cb -0.19 -1.51 0.00 0.00 0.03 0.00 0.00 46.19 44.52 2c3y s LEU 468 CO -0.07 0.26 -0.04 -0.13 0.23 0.00 0.00 176.35 176.59 2c3y s ARG 469 N -1.43 0.41 -0.01 1.70 0.52 -0.19 0.15 118.95 120.10 2c3y s ARG 469 Ca 0.14 -0.14 0.02 0.00 -0.52 0.00 0.00 55.73 55.23 2c3y s ARG 469 Cb -0.10 -0.42 0.00 0.00 0.52 0.00 0.00 34.95 34.95 2c3y s ARG 469 CO 0.05 0.06 -0.05 -0.06 0.02 0.00 0.00 175.30 175.33 2c3y s PHE 470 N 0.08 0.54 0.20 -0.53 0.40 -0.49 -0.99 117.98 117.20 2c3y s PHE 470 Ca -0.00 -0.11 -0.23 0.00 -0.60 0.00 0.00 56.93 55.98 2c3y s PHE 470 Cb -0.04 -0.41 0.05 0.00 0.51 0.00 0.00 43.02 43.13 2c3y s PHE 470 CO -0.00 -0.06 0.82 0.20 0.70 0.00 0.00 175.22 176.88 2c3y s GLY 471 N 0.19 -0.22 0.40 4.36 0.00 -1.04 0.24 107.32 111.27 2c3y s GLY 471 Ca -0.02 0.02 0.21 0.00 0.00 0.00 0.00 44.72 44.93 2c3y s GLY 471 CO -0.00 -0.00 1.57 0.83 0.00 0.00 0.00 173.10 175.50 2c3y h GLU 472 N 2.00 0.00 -6.21 2.90 5.08 -1.86 0.53 114.58 117.03 2c3y h GLU 472 Ca -0.23 0.00 -0.53 0.00 -1.00 0.00 0.00 59.36 57.60 2c3y h GLU 472 Cb 1.25 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 30.43 2c3y h GLU 472 CO 0.26 0.12 -0.57 0.15 -1.00 0.00 0.00 179.01 177.97 2c3y s LYS 473 N -3.15 2.72 0.42 2.33 -0.14 -1.26 -4.79 119.74 115.86 2c3y s LYS 473 Ca 0.06 -1.14 -0.25 0.00 -1.36 0.00 0.00 55.97 53.28 2c3y s LYS 473 Cb 0.06 -2.45 -0.10 0.00 -1.68 0.00 0.00 37.83 33.66 2c3y s LYS 473 CO 0.69 0.40 1.15 -2.30 -0.76 0.00 0.00 175.35 174.52 2c3y n PRO 474 N -0.96 1.63 -3.48 -1.68 -0.02 -1.26 -4.68 135.00 124.55 2c3y n PRO 474 Ca -0.08 0.58 -0.43 0.00 -2.02 0.00 0.00 63.50 61.56 2c3y n PRO 474 Cb 0.58 -2.21 -0.10 0.00 -0.02 0.00 0.00 33.50 31.74 2c3y n PRO 474 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 2c3y s ILE 475 N -1.23 5.19 -1.42 4.25 1.01 -1.26 -4.86 121.20 122.88 2c3y s ILE 475 Ca 0.62 -0.65 0.16 0.00 0.00 0.00 0.00 60.65 60.78 2c3y s ILE 475 Cb -0.53 -3.88 0.43 0.00 0.01 0.00 0.00 42.46 38.49 2c3y s ILE 475 CO 0.57 -0.29 1.35 0.00 0.00 0.00 0.00 174.94 176.58 2c3y n GLN 476 N 5.14 2.71 -2.17 2.79 6.02 -1.26 -4.89 117.38 125.73 2c3y n GLN 476 Ca -0.11 -2.26 -0.31 0.00 -0.01 0.00 0.00 57.00 54.31 2c3y n GLN 476 Cb 0.47 -1.39 -0.05 0.00 1.02 0.00 0.00 30.24 30.29 2c3y n GLN 476 CO 0.00 0.00 0.00 -1.12 -1.01 0.00 0.00 177.06 174.93 2c3y s SER 477 N -1.03 5.38 -1.25 1.08 0.01 -1.26 -2.94 113.70 113.70 2c3y s SER 477 Ca 0.33 -1.74 -0.06 0.00 1.31 0.00 0.00 55.95 55.79 2c3y s SER 477 Cb 0.18 -2.59 0.04 0.00 0.21 0.00 0.00 66.02 63.86 2c3y s SER 477 CO 0.23 -2.70 2.65 0.35 0.41 0.00 0.00 173.24 174.18 2c3y n THR 478 N 7.54 4.69 -3.52 1.44 -2.24 -1.26 -4.79 114.28 116.15 2c3y n THR 478 Ca 0.45 -3.58 -0.11 0.00 -2.27 0.00 0.00 64.05 58.54 2c3y n THR 478 Cb 0.47 -2.17 -0.03 0.00 -2.10 0.00 0.00 70.33 66.50 2c3y n THR 478 CO 0.00 0.00 0.00 -0.72 -0.57 0.00 0.00 175.07 173.78 2c3y s TYR 479 N -0.22 -0.42 0.84 4.78 -0.85 -1.26 -4.76 117.35 115.45 2c3y s TYR 479 Ca 0.60 0.16 -0.11 0.00 -0.52 0.00 0.00 57.07 57.20 2c3y s TYR 479 Cb 0.21 0.52 0.10 0.00 0.38 0.00 0.00 41.96 43.17 2c3y s TYR 479 CO -0.09 -0.87 1.14 -0.51 -1.52 0.00 0.00 175.55 173.69 2c3y s LEU 480 N -2.78 3.00 0.03 -3.49 1.43 -1.26 -4.96 118.68 110.64 2c3y s LEU 480 Ca 0.03 2.12 -0.30 0.00 -1.03 0.00 0.00 54.13 54.94 2c3y s LEU 480 Cb -0.01 -4.56 -0.05 0.00 0.03 0.00 0.00 46.19 41.61 2c3y s LEU 480 CO -0.10 -2.63 1.12 -0.69 0.23 0.00 0.00 176.35 174.28 2c3y s VAL 481 N -2.59 4.34 0.00 -1.59 1.01 -1.26 -4.89 120.40 115.41 2c3y s VAL 481 Ca 0.67 1.68 0.00 0.00 0.00 0.00 0.00 61.98 64.32 2c3y s VAL 481 Cb -0.22 -4.07 0.00 0.00 0.00 0.00 0.00 36.38 32.08 2c3y s VAL 481 CO 0.55 0.12 0.03 -0.46 0.00 0.00 0.00 175.10 175.34 2c3y n ASN 482 N 3.99 0.06 -3.49 3.32 0.23 -1.26 -4.86 115.26 113.25 2c3y n ASN 482 Ca 0.08 -0.52 -0.29 0.00 -0.53 0.00 0.00 54.58 53.33 2c3y n ASN 482 Cb 0.48 0.91 -0.12 0.00 -2.08 0.00 0.00 39.78 38.98 2c3y n ASN 482 CO 0.00 0.00 0.00 -0.13 -0.93 0.00 0.00 177.26 176.20 2c3y s ARG 483 N -0.91 0.81 0.19 -3.83 0.52 -1.26 -4.16 118.95 110.31 2c3y s ARG 483 Ca 0.00 -1.70 -0.14 0.00 -0.52 0.00 0.00 55.73 53.38 2c3y s ARG 483 Cb 0.00 -1.55 -0.07 0.00 0.52 0.00 0.00 34.95 33.85 2c3y s ARG 483 CO 0.00 -1.25 0.58 0.00 0.02 0.00 0.00 175.30 174.65 2c3y s ALA 484 N 0.62 3.54 -0.08 2.13 0.00 -1.24 -4.74 121.76 122.00 2c3y s ALA 484 Ca 0.22 -0.13 0.14 0.00 0.00 0.00 0.00 51.96 52.19 2c3y s ALA 484 Cb -0.15 -2.54 -0.13 0.00 0.00 0.00 0.00 23.12 20.29 2c3y s ALA 484 CO -0.05 0.45 0.98 -0.44 0.00 0.00 0.00 175.76 176.69 2c3y h ASP 485 N 3.17 0.00 -3.46 0.00 5.19 -0.88 -1.37 116.42 119.06 2c3y h ASP 485 Ca -0.48 0.00 -0.42 0.00 -0.62 0.00 0.00 57.03 55.51 2c3y h ASP 485 Cb 1.19 0.00 -0.34 0.00 0.18 0.00 0.00 39.33 40.36 2c3y h ASP 485 CO 0.67 0.72 -0.78 -0.47 -3.12 0.00 0.00 179.24 176.26 2c3y s TYR 486 N -2.83 0.81 -0.05 4.55 5.04 -0.99 -0.77 117.35 123.11 2c3y s TYR 486 Ca -0.01 -0.23 0.01 0.00 -2.44 0.00 0.00 57.07 54.39 2c3y s TYR 486 Cb 0.08 -0.69 0.02 0.00 0.35 0.00 0.00 41.96 41.72 2c3y s TYR 486 CO 0.80 -0.19 -0.05 0.08 -1.34 0.00 0.00 175.55 174.85 2c3y s VAL 487 N 0.86 0.61 -0.07 3.14 1.01 0.03 -1.40 120.40 124.58 2c3y s VAL 487 Ca -0.12 -0.15 0.03 0.00 0.00 0.00 0.00 61.98 61.74 2c3y s VAL 487 Cb -0.15 -0.64 0.01 0.00 0.00 0.00 0.00 36.38 35.60 2c3y s VAL 487 CO 0.01 0.25 -0.17 0.00 0.00 0.00 0.00 175.10 175.19 2c3y s ALA 488 N 1.00 1.59 -0.31 5.51 0.00 -0.49 -0.99 121.76 128.07 2c3y s ALA 488 Ca -0.10 -0.64 -0.04 0.00 0.00 0.00 0.00 51.96 51.18 2c3y s ALA 488 Cb -0.14 -0.62 0.04 0.00 0.00 0.00 0.00 23.12 22.39 2c3y s ALA 488 CO -0.00 0.20 0.04 0.00 0.00 0.00 0.00 175.76 176.01 2c3y n HIS 490 N 4.74 0.00 -3.77 0.00 8.25 0.10 -1.64 115.22 122.90 2c3y n HIS 490 Ca -0.13 0.00 -0.28 0.00 -0.26 0.00 0.00 57.72 57.04 2c3y n HIS 490 Cb 0.45 -0.07 -0.16 0.00 1.12 0.00 0.00 29.99 31.33 2c3y n HIS 490 CO 0.00 0.00 0.00 1.21 0.64 0.00 0.00 176.34 178.19 2c3y s ASN 491 N -2.26 3.27 0.59 0.41 3.04 -1.25 -4.78 114.94 113.96 2c3y s ASN 491 Ca 0.32 -1.02 0.29 0.00 0.04 0.00 0.00 52.86 52.49 2c3y s ASN 491 Cb 0.20 -0.74 1.60 0.00 -1.54 0.00 0.00 41.25 40.77 2c3y s ASN 491 CO 0.43 -0.31 2.03 1.55 -3.04 0.00 0.00 177.10 177.75 2c3y h PRO 492 N 8.17 0.00 0.00 0.43 0.13 -1.82 -1.57 132.00 137.34 2c3y h PRO 492 Ca -0.16 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.96 2c3y h PRO 492 Cb 1.09 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.22 2c3y h PRO 492 CO 0.37 0.00 -0.05 0.00 -0.23 0.00 0.00 178.00 178.09 2c3y h ALA 493 N 1.65 1.85 -0.30 -0.56 0.00 -1.95 -2.60 119.26 117.34 2c3y h ALA 493 Ca 0.13 -0.05 -0.06 0.00 0.00 0.00 0.00 54.91 54.93 2c3y h ALA 493 Cb 0.73 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.49 2c3y h ALA 493 CO -0.00 0.07 -0.08 1.88 0.00 0.00 0.00 179.25 181.11 2c3y h TYR 494 N 0.00 0.52 -1.05 0.00 0.99 -1.70 -3.06 116.97 112.66 2c3y h TYR 494 Ca -0.00 -0.07 0.30 0.00 2.00 0.00 0.00 58.73 60.96 2c3y h TYR 494 Cb 0.10 -0.14 -0.13 0.00 1.00 0.00 0.00 36.73 37.56 2c3y h TYR 494 CO 0.00 0.57 0.63 0.28 -0.00 0.00 0.00 178.16 179.64 2c3y h VAL 495 N 0.46 0.39 -0.48 -2.88 2.07 -1.63 0.12 116.25 114.30 2c3y h VAL 495 Ca 0.09 -0.13 0.00 0.00 0.82 0.00 0.00 66.70 67.48 2c3y h VAL 495 Cb 0.43 -0.02 0.00 0.00 -1.52 0.00 0.00 31.29 30.18 2c3y h VAL 495 CO 0.02 0.07 0.00 0.61 0.02 0.00 0.00 177.57 178.29 2c3y n GLY 496 N -1.36 2.74 0.00 2.17 0.00 -1.16 -4.51 105.19 103.07 2c3y n GLY 496 Ca 0.30 -0.77 0.00 0.00 0.00 0.00 0.00 46.02 45.55 2c3y n GLY 496 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 2c3y n ILE 497 N 0.52 0.00 -4.40 -0.61 -5.35 0.31 -5.14 119.36 104.69 2c3y n ILE 497 Ca 0.23 0.00 -0.22 0.00 -0.27 0.00 0.00 62.75 62.49 2c3y n ILE 497 Cb 1.04 0.00 -0.10 0.00 -1.74 0.00 0.00 39.64 38.84 2c3y n ILE 497 CO 0.00 0.00 0.00 -0.31 -1.76 0.00 0.00 176.55 174.48 2c3y s TYR 498 N -0.40 2.04 -1.37 4.28 4.12 -0.46 -4.94 117.35 120.61 2c3y s TYR 498 Ca 0.00 -0.43 -0.11 0.00 0.02 0.00 0.00 57.07 56.55 2c3y s TYR 498 Cb 0.00 -0.94 0.10 0.00 -1.52 0.00 0.00 41.96 39.60 2c3y s TYR 498 CO 0.00 0.51 2.08 -3.47 0.02 0.00 0.00 175.55 174.69 2c3y n ASP 499 N -0.25 4.74 -0.34 2.29 2.03 -1.26 -4.78 116.55 118.98 2c3y n ASP 499 Ca -0.08 -2.98 0.05 0.00 0.52 0.00 0.00 54.79 52.30 2c3y n ASP 499 Cb 0.59 -1.56 0.21 0.00 -0.72 0.00 0.00 41.12 39.64 2c3y n ASP 499 CO 0.00 0.00 0.00 0.40 -1.92 0.00 0.00 177.20 175.68 2c3y h ILE 500 N 3.80 0.93 -0.45 5.18 1.08 -1.93 -2.95 117.51 123.17 2c3y h ILE 500 Ca 0.49 -0.32 0.00 0.00 -0.39 0.00 0.00 64.86 64.64 2c3y h ILE 500 Cb 0.61 -0.09 0.00 0.00 -3.07 0.00 0.00 36.82 34.27 2c3y h ILE 500 CO 1.74 0.17 0.00 0.18 -0.69 0.00 0.00 178.15 179.55 2c3y n LEU 501 N -4.66 3.41 -4.69 1.44 4.32 -1.26 -4.95 117.00 110.61 2c3y n LEU 501 Ca 0.17 -1.72 -0.43 0.00 -0.02 0.00 0.00 56.01 54.01 2c3y n LEU 501 Cb 0.32 -0.47 -0.03 0.00 -1.62 0.00 0.00 43.42 41.61 2c3y n LEU 501 CO 0.27 0.59 1.45 1.21 -1.22 0.00 0.00 177.39 179.69 2c3y n GLU 502 N 0.71 2.75 -0.49 3.23 2.13 -1.12 -2.46 120.64 125.39 2c3y n GLU 502 Ca 0.18 1.00 0.00 0.00 0.66 0.00 0.00 57.16 58.99 2c3y n GLU 502 Cb 0.65 -2.88 0.00 0.00 0.27 0.00 0.00 31.44 29.48 2c3y n GLU 502 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2c3y n GLY 503 N 4.15 1.46 3.71 8.31 0.00 -1.26 -4.79 105.19 116.76 2c3y n GLY 503 Ca 0.18 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.76 2c3y n GLY 503 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 2c3y n ILE 504 N -2.00 0.83 -2.06 -0.61 3.06 -1.03 -3.62 119.36 113.93 2c3y n ILE 504 Ca 0.00 -0.21 -0.37 0.00 -2.50 0.00 0.00 62.75 59.67 2c3y n ILE 504 Cb 0.00 -1.72 0.02 0.00 0.54 0.00 0.00 39.64 38.47 2c3y n ILE 504 CO 0.00 0.00 0.00 -0.54 -2.50 0.00 0.00 176.55 173.51 2c3y s LYS 505 N -0.22 3.33 0.30 9.51 1.02 -0.52 -4.88 119.74 128.29 2c3y s LYS 505 Ca 0.68 1.90 -0.30 0.00 0.02 0.00 0.00 55.97 58.27 2c3y s LYS 505 Cb -0.58 -2.19 -0.11 0.00 -0.52 0.00 0.00 37.83 34.43 2c3y s LYS 505 CO 0.47 -0.94 1.60 -0.25 -0.92 0.00 0.00 175.35 175.31 2c3y n ASP 506 N -1.02 3.92 0.00 2.83 10.43 -1.26 -0.08 116.55 131.36 2c3y n ASP 506 Ca 0.10 1.15 0.00 0.00 2.57 0.00 0.00 54.79 58.62 2c3y n ASP 506 Cb 0.48 -1.60 0.00 0.00 1.84 0.00 0.00 41.12 41.83 2c3y n ASP 506 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 2c3y n GLY 507 N 2.02 0.93 3.70 0.44 0.00 0.35 -5.01 105.19 107.61 2c3y n GLY 507 Ca 0.08 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.80 2c3y n GLY 507 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2c3y s GLY 508 N -1.97 1.61 -0.13 -0.02 0.00 0.88 -4.47 107.32 103.22 2c3y s GLY 508 Ca 0.00 -0.12 -0.05 0.00 0.00 0.00 0.00 44.72 44.55 2c3y s GLY 508 CO 0.00 0.40 0.05 -1.08 0.00 0.00 0.00 173.10 172.47 2c3y s THR 509 N -2.92 4.69 -0.13 0.90 -1.32 0.05 -1.26 115.64 115.65 2c3y s THR 509 Ca 0.64 -0.09 0.00 0.00 -1.21 0.00 0.00 61.69 61.03 2c3y s THR 509 Cb -0.18 -3.04 0.02 0.00 -1.51 0.00 0.00 72.50 67.79 2c3y s THR 509 CO 0.57 0.56 -0.13 0.12 -2.21 0.00 0.00 174.62 173.54 2c3y s PHE 510 N -0.45 1.92 -0.13 9.09 5.36 -0.73 -0.79 117.98 132.25 2c3y s PHE 510 Ca 0.09 -1.01 0.01 0.00 -0.96 0.00 0.00 56.93 55.07 2c3y s PHE 510 Cb -0.12 -1.44 -0.01 0.00 -0.34 0.00 0.00 43.02 41.11 2c3y s PHE 510 CO 0.02 -0.57 -0.15 0.54 -1.46 0.00 0.00 175.22 173.59 2c3y s VAL 511 N 1.42 2.82 -0.03 3.12 0.11 -0.17 -0.48 120.40 127.19 2c3y s VAL 511 Ca 0.02 -0.74 0.06 0.00 -2.93 0.00 0.00 61.98 58.39 2c3y s VAL 511 Cb -0.13 -2.17 -0.01 0.00 -1.53 0.00 0.00 36.38 32.54 2c3y s VAL 511 CO -0.08 0.53 -0.22 -0.22 -3.33 0.00 0.00 175.10 171.78 2c3y s LEU 512 N 0.39 2.02 -0.38 2.54 2.96 0.62 -1.08 118.68 125.75 2c3y s LEU 512 Ca -0.12 -0.42 -0.16 0.00 -0.22 0.00 0.00 54.13 53.20 2c3y s LEU 512 Cb -0.16 -1.18 0.01 0.00 0.50 0.00 0.00 46.19 45.36 2c3y s LEU 512 CO 0.06 0.24 0.40 0.21 -1.32 0.00 0.00 176.35 175.94 2c3y s ASN 513 N -0.30 6.19 -0.01 3.68 3.04 -0.65 -0.84 114.94 126.05 2c3y s ASN 513 Ca 0.03 -0.47 -0.28 0.00 0.04 0.00 0.00 52.86 52.17 2c3y s ASN 513 Cb -0.11 -2.21 0.10 0.00 -1.54 0.00 0.00 41.25 37.49 2c3y s ASN 513 CO 0.01 -0.47 0.83 -0.94 -3.04 0.00 0.00 177.10 173.49 2c3y s SER 514 N 1.77 -0.44 -0.06 -4.21 1.04 -1.05 -3.17 113.70 107.57 2c3y s SER 514 Ca 0.12 0.18 0.08 0.00 0.48 0.00 0.00 55.95 56.80 2c3y s SER 514 Cb -0.17 0.43 0.34 0.00 0.10 0.00 0.00 66.02 66.73 2c3y s SER 514 CO 0.13 -0.63 1.15 -0.81 0.98 0.00 0.00 173.24 174.05 2c3y n PRO 515 N 0.08 2.37 -2.10 4.02 -0.04 -1.26 -3.50 135.00 134.56 2c3y n PRO 515 Ca -0.12 -1.35 -0.40 0.00 -0.04 0.00 0.00 63.50 61.59 2c3y n PRO 515 Cb 0.61 -1.61 -0.00 0.00 -0.04 0.00 0.00 33.50 32.46 2c3y n PRO 515 CO 0.00 0.00 0.00 0.91 -0.04 0.00 0.00 175.50 176.37 2c3y n TRP 516 N 0.37 2.64 -0.17 0.54 8.01 -1.26 -4.75 117.44 122.83 2c3y n TRP 516 Ca 0.12 -2.79 -0.10 0.00 -1.31 0.00 0.00 57.50 53.42 2c3y n TRP 516 Cb 0.52 -1.79 0.00 0.00 -2.01 0.00 0.00 31.31 28.03 2c3y n TRP 516 CO 0.00 0.00 0.00 0.77 -1.01 0.00 0.00 177.69 177.45 2c3y h SER 517 N 4.74 0.80 -4.20 -0.99 0.02 -1.96 -3.37 113.55 108.59 2c3y h SER 517 Ca 0.64 -0.29 -0.49 0.00 -0.84 0.00 0.00 61.79 60.81 2c3y h SER 517 Cb 0.35 -0.22 0.06 0.00 0.14 0.00 0.00 62.40 62.74 2c3y h SER 517 CO 1.48 0.89 0.38 -0.94 -1.14 0.00 0.00 176.83 177.50 2c3y s SER 518 N -6.28 5.81 0.25 3.07 1.04 -1.26 -4.92 113.70 111.40 2c3y s SER 518 Ca -0.13 1.79 -0.03 0.00 0.48 0.00 0.00 55.95 58.07 2c3y s SER 518 Cb 0.11 -2.53 0.29 0.00 0.10 0.00 0.00 66.02 63.99 2c3y s SER 518 CO 0.81 -1.15 1.74 0.25 0.98 0.00 0.00 173.24 175.87 2c3y h LEU 519 N 0.40 0.82 -0.45 2.42 5.85 -1.96 -1.83 115.31 120.56 2c3y h LEU 519 Ca -0.47 -0.20 0.00 0.00 0.84 0.00 0.00 57.88 58.06 2c3y h LEU 519 Cb 1.22 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 42.01 2c3y h LEU 519 CO 0.58 0.88 0.30 1.05 -0.34 0.00 0.00 178.44 180.90 2c3y h GLU 520 N 0.79 0.59 -0.28 1.25 4.11 -1.95 0.44 114.58 119.52 2c3y h GLU 520 Ca 0.15 -0.04 -0.04 0.00 0.07 0.00 0.00 59.36 59.50 2c3y h GLU 520 Cb 0.46 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.57 2c3y h GLU 520 CO 0.02 0.39 0.01 -0.44 0.07 0.00 0.00 179.01 179.07 2c3y h ASP 521 N 0.61 0.48 -0.26 3.06 3.32 -1.86 -1.30 116.42 120.46 2c3y h ASP 521 Ca 0.16 -0.30 0.05 0.00 0.02 0.00 0.00 57.03 56.96 2c3y h ASP 521 Cb -0.07 -0.13 -0.04 0.00 0.22 0.00 0.00 39.33 39.31 2c3y h ASP 521 CO -0.04 0.65 -0.00 -0.03 -1.72 0.00 0.00 179.24 178.11 2c3y h MET 522 N 0.28 0.08 -0.14 3.56 4.05 -1.05 0.94 114.93 122.65 2c3y h MET 522 Ca 0.08 -0.00 -0.02 0.00 -0.28 0.00 0.00 59.70 59.48 2c3y h MET 522 Cb 0.40 -0.02 -0.01 0.00 -0.80 0.00 0.00 31.60 31.18 2c3y h MET 522 CO 0.01 0.05 -0.00 -0.44 0.23 0.00 0.00 176.91 176.76 2c3y h ASP 523 N 0.08 0.18 -0.17 1.39 3.45 -0.81 0.50 116.42 121.04 2c3y h ASP 523 Ca 0.13 -0.02 -0.17 0.00 0.43 0.00 0.00 57.03 57.39 2c3y h ASP 523 Cb 0.16 -0.05 0.01 0.00 -0.56 0.00 0.00 39.33 38.89 2c3y h ASP 523 CO -0.21 0.22 -0.57 0.50 -1.57 0.00 0.00 179.24 177.60 2c3y h LYS 524 N 0.20 0.69 0.00 3.56 3.64 0.09 -3.37 116.57 121.37 2c3y h LYS 524 Ca 0.05 -0.51 -0.34 0.00 -1.27 0.00 0.00 60.65 58.58 2c3y h LYS 524 Cb 0.14 0.09 -0.06 0.00 -0.41 0.00 0.00 32.23 31.99 2c3y h LYS 524 CO 0.00 1.13 -2.10 0.72 -2.27 0.00 0.00 179.45 176.94 2c3y n HIS 525 N -4.11 0.43 -2.54 1.91 8.25 0.17 -4.89 115.22 114.44 2c3y n HIS 525 Ca -0.07 0.16 -0.43 0.00 -0.26 0.00 0.00 57.72 57.12 2c3y n HIS 525 Cb 0.64 -1.08 -0.02 0.00 1.12 0.00 0.00 29.99 30.65 2c3y n HIS 525 CO 0.00 0.00 0.00 -1.17 0.64 0.00 0.00 176.34 175.81 2c3y s LEU 526 N -5.75 3.92 0.58 2.41 2.96 0.17 -4.87 118.68 118.11 2c3y s LEU 526 Ca -0.08 1.14 -0.20 0.00 -0.22 0.00 0.00 54.13 54.77 2c3y s LEU 526 Cb 0.07 -3.54 -0.04 0.00 0.50 0.00 0.00 46.19 43.17 2c3y s LEU 526 CO 0.83 -0.96 1.18 -2.65 -1.32 0.00 0.00 176.35 173.43 2c3y n PRO 527 N 7.06 1.25 -0.28 0.98 -0.02 -1.26 -4.79 135.00 137.94 2c3y n PRO 527 Ca 0.13 0.47 -0.00 0.00 -2.02 0.00 0.00 63.50 62.08 2c3y n PRO 527 Cb 0.47 -2.39 0.12 0.00 -0.02 0.00 0.00 33.50 31.68 2c3y n PRO 527 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 2c3y h SER 528 N 0.88 0.72 -0.97 2.55 4.64 -1.91 -2.08 113.55 117.37 2c3y h SER 528 Ca -0.50 0.02 0.18 0.00 -0.47 0.00 0.00 61.79 61.02 2c3y h SER 528 Cb 1.34 -0.13 -0.09 0.00 -0.31 0.00 0.00 62.40 63.21 2c3y h SER 528 CO 0.54 0.46 0.61 1.23 -0.87 0.00 0.00 176.83 178.80 2c3y h GLY 529 N 0.85 1.50 1.08 -0.77 0.00 -1.91 -0.29 103.07 103.53 2c3y h GLY 529 Ca 0.34 -0.33 -0.25 0.00 0.00 0.00 0.00 47.33 47.10 2c3y h GLY 529 CO -0.17 -0.00 -1.00 -2.22 0.00 0.00 0.00 176.54 173.15 2c3y h ILE 530 N 0.71 1.33 -0.07 2.60 2.04 -1.77 -2.97 117.51 119.39 2c3y h ILE 530 Ca 0.53 -2.30 0.04 0.00 1.00 0.00 0.00 64.86 64.13 2c3y h ILE 530 Cb 0.89 2.60 -0.05 0.00 -0.74 0.00 0.00 36.82 39.51 2c3y h ILE 530 CO -0.30 0.69 -0.27 0.11 0.00 0.00 0.00 178.15 178.38 2c3y h LYS 531 N 0.18 -0.36 -5.10 2.37 1.57 -0.64 0.12 116.57 114.71 2c3y h LYS 531 Ca -0.14 0.02 -0.66 0.00 -1.87 0.00 0.00 60.65 58.01 2c3y h LYS 531 Cb 1.68 0.08 -0.27 0.00 0.08 0.00 0.00 32.23 33.80 2c3y h LYS 531 CO 0.19 -0.24 -0.73 -0.98 -0.57 0.00 0.00 179.45 177.12 2c3y s ARG 532 N -6.05 3.40 0.00 3.15 1.04 -0.23 -0.74 118.95 119.52 2c3y s ARG 532 Ca -0.15 -0.63 0.00 0.00 -1.04 0.00 0.00 55.73 53.91 2c3y s ARG 532 Cb 0.10 -2.90 0.00 0.00 -2.04 0.00 0.00 34.95 30.11 2c3y s ARG 532 CO 0.66 -0.06 0.00 2.41 -0.04 0.00 0.00 175.30 178.27 2c3y n THR 533 N 4.38 0.00 -0.12 4.99 -1.04 -0.87 0.65 114.28 122.26 2c3y n THR 533 Ca -0.18 0.00 -0.08 0.00 -2.04 0.00 0.00 64.05 61.74 2c3y n THR 533 Cb 0.51 0.00 -0.00 0.00 -1.82 0.00 0.00 70.33 69.02 2c3y n THR 533 CO 0.00 0.00 0.00 0.40 -0.64 0.00 0.00 175.07 174.83 2c3y h ILE 534 N 0.00 1.12 0.08 12.58 2.04 -0.37 -0.50 117.51 132.47 2c3y h ILE 534 Ca 0.00 -0.28 -0.00 0.00 1.00 0.00 0.00 64.86 65.58 2c3y h ILE 534 Cb 0.00 0.61 0.00 0.00 -0.74 0.00 0.00 36.82 36.69 2c3y h ILE 534 CO 0.00 0.12 -0.04 0.00 0.00 0.00 0.00 178.15 178.23 2c3y h ALA 535 N 1.11 -0.11 -0.49 1.87 0.00 -0.70 -1.20 119.26 119.74 2c3y h ALA 535 Ca 0.14 -0.22 0.01 0.00 0.00 0.00 0.00 54.91 54.84 2c3y h ALA 535 Cb -0.01 0.04 -0.03 0.00 0.00 0.00 0.00 17.79 17.80 2c3y h ALA 535 CO -0.03 -0.33 0.31 -0.91 0.00 0.00 0.00 179.25 178.29 2c3y h ASN 536 N -0.58 0.52 -0.11 0.00 -0.26 0.24 -2.23 115.58 113.16 2c3y h ASN 536 Ca -0.01 -0.01 0.00 0.00 -0.56 0.00 0.00 56.30 55.72 2c3y h ASN 536 Cb 0.48 -0.12 0.00 0.00 -1.06 0.00 0.00 38.32 37.62 2c3y h ASN 536 CO 0.02 0.37 0.00 0.29 -1.06 0.00 0.00 177.43 177.05 2c3y n LYS 537 N -4.78 1.36 -3.96 0.81 5.02 -0.20 -4.91 118.16 111.50 2c3y n LYS 537 Ca 0.03 -0.55 -0.32 0.00 -2.02 0.00 0.00 58.31 55.44 2c3y n LYS 537 Cb 0.04 -1.26 -0.01 0.00 -0.02 0.00 0.00 35.03 33.79 2c3y n LYS 537 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 2c3y n LYS 538 N -0.16 -1.71 -2.78 1.97 4.01 -0.84 -0.50 118.16 118.15 2c3y n LYS 538 Ca 0.11 0.30 -0.34 0.00 -0.51 0.00 0.00 58.31 57.87 2c3y n LYS 538 Cb 0.17 -3.84 -0.06 0.00 -0.51 0.00 0.00 35.03 30.78 2c3y n LYS 538 CO 0.00 0.00 0.00 -0.51 -1.11 0.00 0.00 177.40 175.78 2c3y s LEU 539 N -7.01 4.03 -0.94 -0.35 1.43 -0.48 -3.57 118.68 111.79 2c3y s LEU 539 Ca 0.23 1.76 -0.20 0.00 -1.03 0.00 0.00 54.13 54.89 2c3y s LEU 539 Cb -0.10 -4.41 0.10 0.00 0.03 0.00 0.00 46.19 41.81 2c3y s LEU 539 CO 0.92 -0.34 1.21 -0.54 0.23 0.00 0.00 176.35 177.83 2c3y s LYS 540 N -2.90 3.56 -0.13 1.70 1.02 -0.39 -4.94 119.74 117.66 2c3y s LYS 540 Ca 0.60 -1.51 -0.25 0.00 0.02 0.00 0.00 55.97 54.82 2c3y s LYS 540 Cb -0.12 -4.99 -0.02 0.00 -0.52 0.00 0.00 37.83 32.18 2c3y s LYS 540 CO 0.17 -1.90 0.81 0.12 -0.92 0.00 0.00 175.35 173.63 2c3y s PHE 541 N 3.42 3.48 -0.10 3.18 5.36 -1.26 -1.77 117.98 130.29 2c3y s PHE 541 Ca 0.36 1.29 0.02 0.00 -0.96 0.00 0.00 56.93 57.63 2c3y s PHE 541 Cb -0.04 -2.97 0.01 0.00 -0.34 0.00 0.00 43.02 39.68 2c3y s PHE 541 CO -0.08 -0.14 -0.15 0.71 -1.46 0.00 0.00 175.22 174.10 2c3y s TYR 542 N 1.73 1.88 -0.14 10.12 1.51 0.36 -0.10 117.35 132.71 2c3y s TYR 542 Ca 0.39 -0.85 -0.00 0.00 -1.01 0.00 0.00 57.07 55.60 2c3y s TYR 542 Cb -0.17 -1.36 -0.01 0.00 -0.11 0.00 0.00 41.96 40.30 2c3y s TYR 542 CO 0.15 -0.44 -0.13 1.21 -1.11 0.00 0.00 175.55 175.23 2c3y s ASN 543 N 0.94 3.94 -0.06 2.29 2.47 -1.26 -0.27 114.94 122.98 2c3y s ASN 543 Ca -0.08 -0.37 0.01 0.00 0.42 0.00 0.00 52.86 52.84 2c3y s ASN 543 Cb -0.15 -1.61 0.02 0.00 -1.45 0.00 0.00 41.25 38.06 2c3y s ASN 543 CO -0.01 0.13 -0.06 -0.51 -3.72 0.00 0.00 177.10 172.93 2c3y s ILE 544 N 0.57 0.72 -1.29 -5.21 2.07 -0.02 -4.83 121.20 113.22 2c3y s ILE 544 Ca -0.08 -0.20 -0.17 0.00 -1.41 0.00 0.00 60.65 58.79 2c3y s ILE 544 Cb -0.16 -0.73 0.09 0.00 0.13 0.00 0.00 42.46 41.79 2c3y s ILE 544 CO 0.03 0.28 1.71 -0.67 -1.91 0.00 0.00 174.94 174.38 2c3y n ASP 545 N 4.20 4.94 -0.24 4.50 -0.08 -1.23 -2.52 116.55 126.12 2c3y n ASP 545 Ca -0.21 -2.93 -0.01 0.00 -1.51 0.00 0.00 54.79 50.12 2c3y n ASP 545 Cb 0.51 -1.70 0.10 0.00 2.34 0.00 0.00 41.12 42.37 2c3y n ASP 545 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2c3y h ALA 546 N 7.35 0.92 -0.93 -1.67 0.00 -1.92 -2.35 119.26 120.67 2c3y h ALA 546 Ca 0.43 0.01 0.04 0.00 0.00 0.00 0.00 54.91 55.39 2c3y h ALA 546 Cb 0.85 -0.14 -0.06 0.00 0.00 0.00 0.00 17.79 18.45 2c3y h ALA 546 CO 1.45 0.08 0.60 0.28 0.00 0.00 0.00 179.25 181.66 2c3y h VAL 547 N 0.72 1.15 0.23 0.00 2.07 -1.86 -0.60 116.25 117.96 2c3y h VAL 547 Ca 0.31 -0.40 -0.01 0.00 0.82 0.00 0.00 66.70 67.41 2c3y h VAL 547 Cb 0.18 -0.12 0.00 0.00 -1.52 0.00 0.00 31.29 29.83 2c3y h VAL 547 CO -0.18 0.21 -0.11 0.50 0.02 0.00 0.00 177.57 178.01 2c3y h LYS 548 N 1.17 -0.30 -0.39 1.57 3.64 -1.81 -1.65 116.57 118.80 2c3y h LYS 548 Ca 0.37 0.02 0.04 0.00 -1.27 0.00 0.00 60.65 59.82 2c3y h LYS 548 Cb 0.01 0.07 -0.04 0.00 -0.41 0.00 0.00 32.23 31.86 2c3y h LYS 548 CO -0.12 0.01 0.14 0.82 -2.27 0.00 0.00 179.45 178.03 2c3y h ILE 549 N -0.62 0.90 -0.26 2.00 2.04 -1.32 0.19 117.51 120.44 2c3y h ILE 549 Ca -0.03 -0.11 0.05 0.00 1.00 0.00 0.00 64.86 65.77 2c3y h ILE 549 Cb 0.44 0.56 -0.04 0.00 -0.74 0.00 0.00 36.82 37.05 2c3y h ILE 549 CO 0.05 0.06 -0.01 0.00 0.00 0.00 0.00 178.15 178.25 2c3y h ALA 550 N 1.24 0.23 -0.72 1.87 0.00 -1.11 0.27 119.26 121.04 2c3y h ALA 550 Ca 0.18 0.08 -0.02 0.00 0.00 0.00 0.00 54.91 55.14 2c3y h ALA 550 Cb 0.15 0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.04 2c3y h ALA 550 CO -0.17 -0.42 0.36 1.15 0.00 0.00 0.00 179.25 180.16 2c3y h THR 551 N 0.07 1.23 0.11 0.00 2.02 -0.78 0.65 112.91 116.21 2c3y h THR 551 Ca 0.13 -0.63 -0.01 0.00 0.77 0.00 0.00 66.41 66.67 2c3y h THR 551 Cb 0.17 0.33 0.00 0.00 -1.74 0.00 0.00 68.15 66.91 2c3y h THR 551 CO -0.22 0.27 -0.05 0.44 0.37 0.00 0.00 175.52 176.33 2c3y h ASP 552 N 1.00 -0.12 0.45 4.18 3.32 0.10 -1.74 116.42 123.61 2c3y h ASP 552 Ca 0.25 -0.05 0.00 0.00 0.02 0.00 0.00 57.03 57.25 2c3y h ASP 552 Cb 0.10 0.03 0.00 0.00 0.22 0.00 0.00 39.33 39.68 2c3y h ASP 552 CO -0.03 -0.03 0.00 1.33 -1.72 0.00 0.00 179.24 178.78 2c3y n VAL 553 N -5.13 0.79 -0.28 -1.35 0.24 0.01 -4.86 118.33 107.76 2c3y n VAL 553 Ca -0.08 0.20 0.00 0.00 -2.04 0.00 0.00 64.34 62.42 2c3y n VAL 553 Cb 0.11 -0.93 0.00 0.00 -1.47 0.00 0.00 33.84 31.54 2c3y n VAL 553 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2c3y n GLY 554 N 0.08 0.86 0.15 7.63 0.00 -0.60 -4.77 105.19 108.54 2c3y n GLY 554 Ca 0.05 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.05 2c3y n GLY 554 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2c3y n LEU 555 N 0.00 0.33 -3.41 0.99 4.77 0.22 -4.88 117.00 115.01 2c3y n LEU 555 Ca 0.00 -0.16 -0.24 0.00 -0.03 0.00 0.00 56.01 55.57 2c3y n LEU 555 Cb 0.00 -0.14 0.05 0.00 -2.33 0.00 0.00 43.42 41.00 2c3y n LEU 555 CO 0.00 0.08 0.11 0.61 -1.33 0.00 0.00 177.39 176.86 2c3y n GLY 556 N 0.38 -0.53 3.06 -0.72 0.00 -1.23 -2.27 105.19 103.88 2c3y n GLY 556 Ca 0.00 0.19 0.00 0.00 0.00 0.00 0.00 46.02 46.21 2c3y n GLY 556 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2c3y n GLY 557 N -1.72 1.79 3.67 -0.02 0.00 -1.26 -4.86 105.19 102.79 2c3y n GLY 557 Ca -0.03 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.56 2c3y n GLY 557 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2c3y s ARG 558 N -0.02 4.21 0.01 1.61 3.52 -0.96 -4.61 118.95 122.71 2c3y s ARG 558 Ca 0.00 2.17 0.23 0.00 -0.13 0.00 0.00 55.73 58.00 2c3y s ARG 558 Cb 0.00 -3.78 0.18 0.00 -1.56 0.00 0.00 34.95 29.78 2c3y s ARG 558 CO 0.00 -0.75 1.17 0.44 -0.81 0.00 0.00 175.30 175.34 2c3y n ILE 559 N 5.09 0.05 -0.19 4.11 -5.35 -1.26 -4.64 119.36 117.17 2c3y n ILE 559 Ca 0.16 -0.07 -0.04 0.00 -0.27 0.00 0.00 62.75 62.53 2c3y n ILE 559 Cb 0.42 0.44 0.02 0.00 -1.74 0.00 0.00 39.64 38.79 2c3y n ILE 559 CO 0.00 0.00 0.00 -0.55 -1.76 0.00 0.00 176.55 174.24 2c3y h ASN 560 N 0.00 -0.96 -0.24 7.28 7.08 -1.91 -1.31 115.58 125.53 2c3y h ASN 560 Ca 0.00 0.21 -0.02 0.00 -3.08 0.00 0.00 56.30 53.41 2c3y h ASN 560 Cb 0.56 0.50 -0.02 0.00 -2.08 0.00 0.00 38.32 37.29 2c3y h ASN 560 CO 0.00 -0.28 0.10 -0.03 -2.08 0.00 0.00 177.43 175.14 2c3y h MET 561 N -0.13 0.43 -0.16 4.14 4.05 -1.94 -1.49 114.93 119.83 2c3y h MET 561 Ca 0.25 -0.06 -0.10 0.00 -0.28 0.00 0.00 59.70 59.51 2c3y h MET 561 Cb 0.52 -0.08 0.00 0.00 -0.80 0.00 0.00 31.60 31.24 2c3y h MET 561 CO -0.65 0.38 -0.30 0.82 0.23 0.00 0.00 176.91 177.40 2c3y h ILE 562 N 0.43 1.35 0.00 1.77 2.04 -1.57 -2.51 117.51 119.01 2c3y h ILE 562 Ca 0.11 -1.55 -0.04 0.00 1.00 0.00 0.00 64.86 64.38 2c3y h ILE 562 Cb 0.13 1.94 -0.01 0.00 -0.74 0.00 0.00 36.82 38.15 2c3y h ILE 562 CO -0.01 0.47 -0.21 0.24 0.00 0.00 0.00 178.15 178.64 2c3y h MET 563 N 0.13 0.00 -0.17 2.37 2.86 -1.15 -2.66 114.93 116.31 2c3y h MET 563 Ca 0.01 0.00 -0.05 0.00 -2.06 0.00 0.00 59.70 57.60 2c3y h MET 563 Cb 0.89 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.55 2c3y h MET 563 CO 0.07 0.21 -0.08 0.37 1.06 0.00 0.00 176.91 178.54 2c3y h GLN 564 N 0.00 0.35 -0.80 1.72 5.75 -1.21 -2.61 115.11 118.31 2c3y h GLN 564 Ca -0.00 -0.15 0.04 0.00 -0.15 0.00 0.00 58.65 58.38 2c3y h GLN 564 Cb 0.77 -0.01 -0.05 0.00 1.07 0.00 0.00 27.48 29.26 2c3y h GLN 564 CO 0.03 0.66 0.50 1.15 -2.65 0.00 0.00 178.83 178.52 2c3y h THR 565 N 0.03 1.10 -0.81 2.39 2.02 -1.23 -1.62 112.91 114.79 2c3y h THR 565 Ca 0.04 -0.33 0.07 0.00 0.77 0.00 0.00 66.41 66.95 2c3y h THR 565 Cb 0.55 0.05 -0.06 0.00 -1.74 0.00 0.00 68.15 66.95 2c3y h THR 565 CO 0.02 0.18 0.49 0.00 0.37 0.00 0.00 175.52 176.58 2c3y h ALA 566 N 1.34 1.12 0.31 6.16 0.00 -1.36 -0.30 119.26 126.54 2c3y h ALA 566 Ca 0.32 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 55.22 2c3y h ALA 566 Cb 0.04 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.64 2c3y h ALA 566 CO -0.12 0.20 -0.15 0.35 0.00 0.00 0.00 179.25 179.53 2c3y h PHE 567 N 0.88 -0.39 0.00 0.00 3.57 -0.93 0.13 116.94 120.20 2c3y h PHE 567 Ca 0.36 -0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.84 2c3y h PHE 567 Cb 0.20 0.13 -0.00 0.00 2.79 0.00 0.00 35.95 39.07 2c3y h PHE 567 CO -0.05 -0.17 -0.05 0.74 -2.23 0.00 0.00 178.31 176.56 2c3y h PHE 568 N -0.53 0.00 0.05 0.41 0.04 -1.00 0.14 116.94 116.04 2c3y h PHE 568 Ca -0.04 0.00 -0.31 0.00 2.80 0.00 0.00 57.97 60.42 2c3y h PHE 568 Cb 0.39 0.00 -0.03 0.00 2.20 0.00 0.00 35.95 38.51 2c3y h PHE 568 CO -0.03 0.05 -1.74 -0.22 -0.60 0.00 0.00 178.31 175.77 2c3y h LYS 569 N 0.00 0.11 0.00 1.51 3.64 -0.89 -3.42 116.57 117.52 2c3y h LYS 569 Ca -0.00 -0.18 0.00 0.00 -1.27 0.00 0.00 60.65 59.20 2c3y h LYS 569 Cb 0.09 0.07 0.00 0.00 -0.41 0.00 0.00 32.23 31.98 2c3y h LYS 569 CO 0.01 0.79 -1.42 1.28 -2.27 0.00 0.00 179.45 177.84 2c3y n LEU 570 N -3.23 0.08 0.25 5.20 4.32 0.44 -4.58 117.00 119.48 2c3y n LEU 570 Ca -0.20 -0.07 0.08 0.00 -0.02 0.00 0.00 56.01 55.79 2c3y n LEU 570 Cb 1.05 0.00 0.62 0.00 -1.62 0.00 0.00 43.42 43.47 2c3y n LEU 570 CO 0.45 0.02 1.03 0.00 -1.22 0.00 0.00 177.39 177.67 2c3y h ALA 571 N 1.19 1.90 -0.03 -1.18 0.00 -0.86 -3.46 119.26 116.82 2c3y h ALA 571 Ca 0.00 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 2c3y h ALA 571 Cb 0.52 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.30 2c3y h ALA 571 CO 0.00 0.05 -0.01 0.41 0.00 0.00 0.00 179.25 179.70 2c3y n GLY 572 N -1.40 0.47 0.10 0.00 0.00 -1.26 -4.90 105.19 98.20 2c3y n GLY 572 Ca -0.03 -0.49 -0.14 0.00 0.00 0.00 0.00 46.02 45.36 2c3y n GLY 572 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 2c3y h VAL 573 N 0.00 1.54 -3.84 1.61 3.04 -1.88 -3.47 116.25 113.25 2c3y h VAL 573 Ca -0.01 -3.06 -0.27 0.00 -1.01 0.00 0.00 66.70 62.34 2c3y h VAL 573 Cb 0.06 2.86 -0.15 0.00 -2.01 0.00 0.00 31.29 32.06 2c3y h VAL 573 CO 0.02 0.89 -0.66 -0.76 -1.01 0.00 0.00 177.57 176.05 2c3y s LEU 574 N -7.12 2.08 0.41 3.16 1.43 -1.26 -5.13 118.68 112.25 2c3y s LEU 574 Ca -0.03 -1.18 -0.23 0.00 -1.03 0.00 0.00 54.13 51.67 2c3y s LEU 574 Cb 0.08 -0.01 -0.09 0.00 0.03 0.00 0.00 46.19 46.19 2c3y s LEU 574 CO 0.87 -0.59 1.01 -2.16 0.23 0.00 0.00 176.35 175.71 2c3y s PRO 575 N -3.93 4.18 0.00 1.29 0.04 -1.26 -4.83 135.00 130.49 2c3y s PRO 575 Ca 0.24 1.36 0.00 0.00 0.04 0.00 0.00 61.00 62.64 2c3y s PRO 575 Cb 0.06 -2.41 0.00 0.00 0.04 0.00 0.00 34.50 32.19 2c3y s PRO 575 CO 0.04 -0.10 0.28 0.34 0.04 0.00 0.00 177.00 177.59 2c3y n PHE 576 N -0.27 0.00 -0.32 0.56 -0.00 -1.26 -0.28 117.46 115.89 2c3y n PHE 576 Ca 0.06 0.00 0.14 0.00 -0.00 0.00 0.00 57.45 57.64 2c3y n PHE 576 Cb 0.51 0.00 0.28 0.00 -0.00 0.00 0.00 39.48 40.28 2c3y n PHE 576 CO 0.00 0.00 0.00 0.93 -0.00 0.00 0.00 176.76 177.69 2c3y h GLU 577 N 0.00 0.06 0.27 -4.13 5.08 -1.98 0.45 114.58 114.32 2c3y h GLU 577 Ca 0.00 -0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.34 2c3y h GLU 577 Cb 0.00 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.24 2c3y h GLU 577 CO 0.00 0.04 -0.13 -0.22 -1.00 0.00 0.00 179.01 177.70 2c3y h LYS 578 N 0.06 -0.35 -0.59 2.33 3.64 -1.85 -2.23 116.57 117.58 2c3y h LYS 578 Ca 0.58 0.02 0.04 0.00 -1.27 0.00 0.00 60.65 60.02 2c3y h LYS 578 Cb 1.18 0.08 -0.04 0.00 -0.41 0.00 0.00 32.23 33.04 2c3y h LYS 578 CO -0.83 -0.22 0.34 0.00 -2.27 0.00 0.00 179.45 176.46 2c3y h ALA 579 N 0.36 0.77 0.70 5.00 0.00 0.14 -2.36 119.26 123.86 2c3y h ALA 579 Ca -0.04 0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.84 2c3y h ALA 579 Cb 0.29 -0.14 0.01 0.00 0.00 0.00 0.00 17.79 17.95 2c3y h ALA 579 CO 0.06 0.03 -0.34 0.28 0.00 0.00 0.00 179.25 179.28 2c3y h VAL 580 N 0.65 0.30 -0.79 0.00 2.07 -0.89 -0.91 116.25 116.68 2c3y h VAL 580 Ca 0.25 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.78 2c3y h VAL 580 Cb 0.10 0.30 -0.04 0.00 -1.52 0.00 0.00 31.29 30.13 2c3y h VAL 580 CO -0.14 0.00 0.52 -2.24 0.02 0.00 0.00 177.57 175.73 2c3y h ASP 581 N -0.94 0.91 -0.81 0.57 2.03 -1.40 0.96 116.42 117.74 2c3y h ASP 581 Ca -0.09 -0.03 0.07 0.00 -0.73 0.00 0.00 57.03 56.25 2c3y h ASP 581 Cb 0.73 -0.23 -0.06 0.00 -0.83 0.00 0.00 39.33 38.94 2c3y h ASP 581 CO 0.15 0.66 0.48 -0.07 -1.03 0.00 0.00 179.24 179.43 2c3y h LEU 582 N 1.07 0.72 -0.18 0.15 4.07 -1.35 0.77 115.31 120.57 2c3y h LEU 582 Ca 0.29 0.03 -0.03 0.00 0.08 0.00 0.00 57.88 58.25 2c3y h LEU 582 Cb -0.12 -0.12 -0.01 0.00 1.08 0.00 0.00 40.66 41.50 2c3y h LEU 582 CO -0.06 0.45 -0.02 0.25 -1.08 0.00 0.00 178.44 177.97 2c3y h LEU 583 N 0.85 0.33 -0.73 1.67 6.46 -0.22 -1.26 115.31 122.40 2c3y h LEU 583 Ca 0.37 -0.34 -0.06 0.00 -0.12 0.00 0.00 57.88 57.73 2c3y h LEU 583 Cb 0.24 -0.09 -0.03 0.00 -0.73 0.00 0.00 40.66 40.05 2c3y h LEU 583 CO -0.20 0.59 0.22 0.11 -0.62 0.00 0.00 178.44 178.54 2c3y h LYS 584 N 0.06 1.14 -0.50 1.25 1.57 -0.15 -1.46 116.57 118.47 2c3y h LYS 584 Ca 0.05 -0.25 0.02 0.00 -1.87 0.00 0.00 60.65 58.60 2c3y h LYS 584 Cb 0.43 -0.16 -0.03 0.00 0.08 0.00 0.00 32.23 32.55 2c3y h LYS 584 CO 0.01 0.97 0.30 0.87 -0.57 0.00 0.00 179.45 181.04 2c3y h LYS 585 N 1.08 0.59 -0.48 3.15 1.79 0.65 -0.26 116.57 123.09 2c3y h LYS 585 Ca 0.23 -0.04 -0.03 0.00 -2.18 0.00 0.00 60.65 58.64 2c3y h LYS 585 Cb 0.31 -0.13 -0.02 0.00 -1.58 0.00 0.00 32.23 30.81 2c3y h LYS 585 CO -0.01 0.39 0.17 0.66 -1.08 0.00 0.00 179.45 179.58 2c3y h SER 586 N 0.61 0.63 -0.54 0.86 4.64 -0.87 0.44 113.55 119.32 2c3y h SER 586 Ca 0.20 -0.08 -0.06 0.00 -0.47 0.00 0.00 61.79 61.38 2c3y h SER 586 Cb 0.01 -0.16 -0.02 0.00 -0.31 0.00 0.00 62.40 61.91 2c3y h SER 586 CO -0.08 0.59 0.10 0.40 -0.87 0.00 0.00 176.83 176.96 2c3y h ILE 587 N 0.68 1.25 -0.06 0.95 2.04 -0.25 -0.74 117.51 121.40 2c3y h ILE 587 Ca 0.16 -0.93 -0.11 0.00 1.00 0.00 0.00 64.86 64.98 2c3y h ILE 587 Cb 0.17 0.81 -0.01 0.00 -0.74 0.00 0.00 36.82 37.05 2c3y h ILE 587 CO -0.01 0.34 -0.47 0.45 0.00 0.00 0.00 178.15 178.45 2c3y h HIS 588 N 0.78 0.16 0.26 1.37 3.86 -0.26 -3.24 115.15 118.09 2c3y h HIS 588 Ca 0.17 -0.05 -0.01 0.00 -1.16 0.00 0.00 60.37 59.31 2c3y h HIS 588 Cb 0.39 -0.03 0.00 0.00 1.06 0.00 0.00 27.41 28.82 2c3y h HIS 588 CO 0.03 0.59 -0.15 -0.22 0.86 0.00 0.00 177.93 179.04 2c3y h LYS 589 N 0.11 -0.36 0.00 2.45 3.64 0.59 -3.41 116.57 119.59 2c3y h LYS 589 Ca 0.00 0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.41 2c3y h LYS 589 Cb 0.88 0.08 0.00 0.00 -0.41 0.00 0.00 32.23 32.78 2c3y h LYS 589 CO 0.07 -0.24 0.00 0.00 -2.27 0.00 0.00 179.45 177.01 2c3y n ALA 590 N -2.25 0.00 -0.49 5.00 0.00 -0.35 -4.71 120.51 117.71 2c3y n ALA 590 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.39 2c3y n ALA 590 Cb 0.15 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.60 2c3y n ALA 590 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 2c3y n TYR 591 N -0.94 0.00 -1.41 0.00 4.01 -1.26 -4.75 117.16 112.81 2c3y n TYR 591 Ca 0.00 0.00 -0.11 0.00 -0.16 0.00 0.00 57.90 57.63 2c3y n TYR 591 Cb 0.00 0.00 -0.04 0.00 -0.31 0.00 0.00 39.34 38.99 2c3y n TYR 591 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2c3y n GLY 592 N 0.00 0.91 0.07 2.72 0.00 -1.26 -4.77 105.19 102.85 2c3y n GLY 592 Ca 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.97 2c3y n GLY 592 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2c3y n LYS 593 N -1.81 0.41 -0.84 1.61 2.85 -1.26 -4.31 118.16 114.80 2c3y n LYS 593 Ca -0.11 0.40 -0.10 0.00 -1.05 0.00 0.00 58.31 57.45 2c3y n LYS 593 Cb 0.38 -1.49 -0.04 0.00 -0.65 0.00 0.00 35.03 33.22 2c3y n LYS 593 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 177.40 178.98 2c3y n LYS 594 N -4.27 1.61 -0.27 -1.58 4.76 -1.26 -4.96 118.16 112.19 2c3y n LYS 594 Ca -0.08 -0.91 0.04 0.00 -2.87 0.00 0.00 58.31 54.49 2c3y n LYS 594 Cb 0.29 -1.54 -0.01 0.00 -1.84 0.00 0.00 35.03 31.93 2c3y n LYS 594 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2c3y n GLY 595 N 1.40 -0.93 0.00 0.72 0.00 -1.26 -2.50 105.19 102.62 2c3y n GLY 595 Ca 0.24 -0.84 0.04 0.00 0.00 0.00 0.00 46.02 45.46 2c3y n GLY 595 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2c3y n GLU 596 N -2.07 0.24 0.05 1.61 -0.58 -1.26 -2.91 120.64 115.71 2c3y n GLU 596 Ca 0.00 0.01 -0.12 0.00 -0.42 0.00 0.00 57.16 56.63 2c3y n GLU 596 Cb 0.12 -1.50 -0.07 0.00 -0.57 0.00 0.00 31.44 29.42 2c3y n GLU 596 CO 0.00 0.00 0.00 -0.22 -0.48 0.00 0.00 177.13 176.43 2c3y h LYS 597 N 0.00 -0.02 0.04 3.49 1.63 -1.91 0.18 116.57 119.97 2c3y h LYS 597 Ca 0.00 0.00 -0.25 0.00 -0.85 0.00 0.00 60.65 59.56 2c3y h LYS 597 Cb 0.00 0.01 -0.02 0.00 -0.60 0.00 0.00 32.23 31.61 2c3y h LYS 597 CO 0.00 -0.01 -1.22 0.82 -3.45 0.00 0.00 179.45 175.59 2c3y h ILE 598 N -0.03 1.47 -0.20 2.00 2.04 -1.55 -3.21 117.51 118.03 2c3y h ILE 598 Ca -0.00 -3.17 0.00 0.00 1.00 0.00 0.00 64.86 62.69 2c3y h ILE 598 Cb 0.03 2.79 -0.01 0.00 -0.74 0.00 0.00 36.82 38.89 2c3y h ILE 598 CO 0.00 0.87 0.13 0.58 0.00 0.00 0.00 178.15 179.73 2c3y h VAL 599 N 0.02 1.05 -0.38 1.67 2.07 -1.60 -2.07 116.25 117.01 2c3y h VAL 599 Ca -0.11 -0.10 0.05 0.00 0.82 0.00 0.00 66.70 67.37 2c3y h VAL 599 Cb 1.88 0.77 -0.05 0.00 -1.52 0.00 0.00 31.29 32.37 2c3y h VAL 599 CO 0.14 0.05 0.10 0.50 0.02 0.00 0.00 177.57 178.38 2c3y h LYS 600 N 0.26 0.22 -2.06 1.57 1.63 -0.73 0.59 116.57 118.06 2c3y h LYS 600 Ca 0.07 -0.01 -0.43 0.00 -0.85 0.00 0.00 60.65 59.42 2c3y h LYS 600 Cb -0.03 -0.05 -0.33 0.00 -0.60 0.00 0.00 32.23 31.23 2c3y h LYS 600 CO -0.02 0.15 -0.76 1.41 -3.45 0.00 0.00 179.45 176.78 2c3y s MET 601 N -6.16 0.72 0.00 1.90 0.00 -1.05 -0.63 119.30 114.09 2c3y s MET 601 Ca -0.13 -1.24 0.00 0.00 0.00 0.00 0.00 55.69 54.32 2c3y s MET 601 Cb 0.13 -0.91 0.00 0.00 0.00 0.00 0.00 34.83 34.05 2c3y s MET 601 CO 0.71 -1.25 0.00 0.09 0.00 0.00 0.00 175.02 174.57 2c3y n ASN 602 N 3.77 0.00 -0.17 1.11 5.03 -0.79 -1.95 115.26 122.27 2c3y n ASN 602 Ca 0.16 0.00 -0.02 0.00 0.87 0.00 0.00 54.58 55.59 2c3y n ASN 602 Cb 0.45 0.00 0.20 0.00 -1.02 0.00 0.00 39.78 39.41 2c3y n ASN 602 CO 0.00 0.00 0.00 0.74 -1.83 0.00 0.00 177.26 176.17 2c3y h THR 603 N 0.00 1.22 -0.68 3.41 2.02 -0.49 -2.11 112.91 116.28 2c3y h THR 603 Ca 0.00 -0.66 -0.07 0.00 0.77 0.00 0.00 66.41 66.45 2c3y h THR 603 Cb 0.00 0.45 -0.03 0.00 -1.74 0.00 0.00 68.15 66.84 2c3y h THR 603 CO 0.00 0.27 0.17 0.44 0.37 0.00 0.00 175.52 176.77 2c3y h ASP 604 N 0.90 1.02 -1.01 4.18 3.45 -0.81 -1.95 116.42 122.21 2c3y h ASP 604 Ca 0.22 -0.23 0.02 0.00 0.43 0.00 0.00 57.03 57.46 2c3y h ASP 604 Cb 0.15 -0.27 -0.05 0.00 -0.56 0.00 0.00 39.33 38.60 2c3y h ASP 604 CO -0.02 0.99 0.67 0.00 -1.57 0.00 0.00 179.24 179.30 2c3y h ALA 605 N 1.07 1.30 -0.21 3.45 0.00 -0.75 0.43 119.26 124.55 2c3y h ALA 605 Ca 0.21 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 55.04 2c3y h ALA 605 Cb 0.36 -0.40 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 2c3y h ALA 605 CO 0.00 0.64 0.08 0.28 0.00 0.00 0.00 179.25 180.25 2c3y h VAL 606 N 1.34 1.17 -0.08 0.00 2.07 -1.05 0.13 116.25 119.84 2c3y h VAL 606 Ca 0.37 -0.53 -0.00 0.00 0.82 0.00 0.00 66.70 67.36 2c3y h VAL 606 Cb -0.13 1.14 -0.00 0.00 -1.52 0.00 0.00 31.29 30.78 2c3y h VAL 606 CO -0.09 0.17 0.05 0.44 0.02 0.00 0.00 177.57 178.16 2c3y h ASP 607 N 0.17 0.10 0.60 0.57 3.45 -0.67 -0.37 116.42 120.28 2c3y h ASP 607 Ca 0.07 -0.07 -0.03 0.00 0.43 0.00 0.00 57.03 57.44 2c3y h ASP 607 Cb 0.20 -0.02 -0.00 0.00 -0.56 0.00 0.00 39.33 38.94 2c3y h ASP 607 CO -0.00 0.14 -0.12 -0.61 -1.57 0.00 0.00 179.24 177.07 2c3y h GLN 608 N 0.05 0.00 0.17 3.56 4.15 -0.07 -2.81 115.11 120.15 2c3y h GLN 608 Ca 0.03 0.00 -0.22 0.00 0.77 0.00 0.00 58.65 59.23 2c3y h GLN 608 Cb 0.06 0.00 0.03 0.00 0.21 0.00 0.00 27.48 27.77 2c3y h GLN 608 CO -0.00 0.12 -0.97 0.00 -1.93 0.00 0.00 178.83 176.05 2c3y h ALA 609 N 1.88 -0.11 -0.64 3.38 0.00 -0.31 -2.85 119.26 120.61 2c3y h ALA 609 Ca -0.00 -0.73 0.03 0.00 0.00 0.00 0.00 54.91 54.21 2c3y h ALA 609 Cb 0.46 0.12 -0.04 0.00 0.00 0.00 0.00 17.79 18.33 2c3y h ALA 609 CO 0.02 0.45 0.42 0.28 0.00 0.00 0.00 179.25 180.42 2c3y h VAL 610 N -0.24 1.09 0.09 0.00 2.07 -0.89 -1.32 116.25 117.04 2c3y h VAL 610 Ca -0.17 -0.26 -0.17 0.00 0.82 0.00 0.00 66.70 66.92 2c3y h VAL 610 Cb 1.76 0.27 0.02 0.00 -1.52 0.00 0.00 31.29 31.82 2c3y h VAL 610 CO 0.18 0.14 -0.74 0.74 0.02 0.00 0.00 177.57 177.91 2c3y h THR 611 N 0.76 1.48 0.00 2.57 2.02 -1.60 -3.28 112.91 114.86 2c3y h THR 611 Ca 0.25 -2.37 0.00 0.00 0.77 0.00 0.00 66.41 65.07 2c3y h THR 611 Cb 0.08 2.98 0.00 0.00 -1.74 0.00 0.00 68.15 69.46 2c3y h THR 611 CO -0.07 0.68 0.00 -1.20 0.37 0.00 0.00 175.52 175.30 2c3y n SER 612 N -4.16 0.00 -4.51 4.18 7.64 -1.08 -4.43 113.62 111.26 2c3y n SER 612 Ca -0.13 0.27 -0.44 0.00 1.01 0.00 0.00 58.87 59.59 2c3y n SER 612 Cb 0.77 -0.40 -0.00 0.00 -1.01 0.00 0.00 64.21 63.56 2c3y n SER 612 CO 0.00 0.00 0.00 -0.22 -3.01 0.00 0.00 175.04 171.81 2c3y s LEU 613 N -2.80 4.57 0.16 -3.43 2.96 -0.51 -4.90 118.68 114.72 2c3y s LEU 613 Ca 0.13 -2.70 0.10 0.00 -0.22 0.00 0.00 54.13 51.45 2c3y s LEU 613 Cb 0.13 -2.47 -0.04 0.00 0.50 0.00 0.00 46.19 44.30 2c3y s LEU 613 CO 0.32 -0.94 -0.23 -1.10 -1.32 0.00 0.00 176.35 173.08 2c3y s GLN 614 N 2.70 1.38 0.41 1.98 -1.52 -1.26 -5.01 119.66 118.34 2c3y s GLN 614 Ca 0.46 -1.40 -0.27 0.00 -1.95 0.00 0.00 55.36 52.20 2c3y s GLN 614 Cb -0.00 -1.69 -0.10 0.00 -0.22 0.00 0.00 33.01 30.99 2c3y s GLN 614 CO 0.02 0.38 1.46 -1.21 -0.25 0.00 0.00 175.29 175.68 2c3y s GLU 615 N -2.41 3.92 -0.34 2.91 2.02 -1.26 -4.44 118.70 119.10 2c3y s GLU 615 Ca 0.16 2.50 -0.25 0.00 0.02 0.00 0.00 54.97 57.40 2c3y s GLU 615 Cb -0.08 -2.83 0.01 0.00 0.10 0.00 0.00 34.13 31.33 2c3y s GLU 615 CO 0.07 -0.66 0.87 0.12 0.02 0.00 0.00 175.26 175.68 2c3y s PHE 616 N -1.16 3.13 -0.70 1.61 5.36 0.86 -4.98 117.98 122.09 2c3y s PHE 616 Ca 0.56 0.78 -0.26 0.00 -0.96 0.00 0.00 56.93 57.05 2c3y s PHE 616 Cb -0.45 -3.46 0.00 0.00 -0.34 0.00 0.00 43.02 38.77 2c3y s PHE 616 CO 0.60 -0.72 1.59 0.15 -1.46 0.00 0.00 175.22 175.38 2c3y s LYS 617 N 3.25 2.92 -0.04 10.12 -0.14 -1.26 -4.78 119.74 129.80 2c3y s LYS 617 Ca 0.35 0.10 -0.01 0.00 -1.36 0.00 0.00 55.97 55.05 2c3y s LYS 617 Cb -0.13 -4.38 -0.04 0.00 -1.68 0.00 0.00 37.83 31.60 2c3y s LYS 617 CO 0.16 -2.48 0.04 1.52 -0.76 0.00 0.00 175.35 173.83 2c3y s TYR 618 N 7.45 3.22 0.77 3.18 -0.85 -1.26 -5.03 117.35 124.83 2c3y s TYR 618 Ca 0.52 0.20 -0.11 0.00 -0.52 0.00 0.00 57.07 57.16 2c3y s TYR 618 Cb -0.10 -1.76 0.06 0.00 0.38 0.00 0.00 41.96 40.54 2c3y s TYR 618 CO 0.15 0.52 1.10 -1.25 -1.52 0.00 0.00 175.55 174.55 2c3y s PRO 619 N -1.33 2.23 0.26 -3.49 0.04 -1.26 -4.94 135.00 126.51 2c3y s PRO 619 Ca 0.18 1.24 0.25 0.00 0.04 0.00 0.00 61.00 62.71 2c3y s PRO 619 Cb -0.12 -1.89 0.86 0.00 0.04 0.00 0.00 34.50 33.40 2c3y s PRO 619 CO 0.08 -1.67 1.75 0.22 0.04 0.00 0.00 177.00 177.42 2c3y h ASP 620 N -1.01 0.00 0.29 6.66 3.58 -2.00 -3.03 116.42 120.90 2c3y h ASP 620 Ca -0.44 0.00 -0.01 0.00 0.42 0.00 0.00 57.03 57.00 2c3y h ASP 620 Cb 1.24 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 42.29 2c3y h ASP 620 CO 0.51 0.00 -0.05 0.77 -2.88 0.00 0.00 179.24 177.59 2c3y h SER 621 N 0.00 0.00 -0.64 2.28 4.64 -1.98 -1.85 113.55 116.00 2c3y h SER 621 Ca 0.00 0.00 0.14 0.00 -0.47 0.00 0.00 61.79 61.46 2c3y h SER 621 Cb 0.62 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.68 2c3y h SER 621 CO 0.00 0.05 0.44 -0.50 -0.87 0.00 0.00 176.83 175.95 2c3y h TRP 622 N 0.00 0.29 -0.10 4.77 4.06 -1.88 0.44 115.95 123.53 2c3y h TRP 622 Ca -0.00 0.01 0.03 0.00 2.06 0.00 0.00 58.89 60.99 2c3y h TRP 622 Cb 0.21 -0.09 -0.00 0.00 -1.00 0.00 0.00 29.16 28.27 2c3y h TRP 622 CO 0.00 0.12 0.32 0.87 -3.56 0.00 0.00 178.44 176.19 2c3y h LYS 623 N 0.26 0.00 -0.50 0.49 1.57 -1.58 -1.94 116.57 114.86 2c3y h LYS 623 Ca 0.31 0.00 -0.33 0.00 -1.87 0.00 0.00 60.65 58.75 2c3y h LYS 623 Cb 0.84 0.00 -0.40 0.00 0.08 0.00 0.00 32.23 32.75 2c3y h LYS 623 CO -0.07 0.00 -1.00 -0.40 -0.57 0.00 0.00 179.45 177.41 2c3y n ASP 624 N -3.15 2.64 -4.71 0.86 5.68 0.14 -4.80 116.55 113.21 2c3y n ASP 624 Ca 0.00 -2.63 -0.43 0.00 -0.50 0.00 0.00 54.79 51.23 2c3y n ASP 624 Cb 0.40 -0.43 -0.03 0.00 -1.14 0.00 0.00 41.12 39.93 2c3y n ASP 624 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2c3y n ALA 625 N -0.60 2.03 -1.65 2.12 0.00 -0.74 -4.83 120.51 116.83 2c3y n ALA 625 Ca 0.19 0.40 -0.52 0.00 0.00 0.00 0.00 53.44 53.52 2c3y n ALA 625 Cb 0.87 -2.41 -0.06 0.00 0.00 0.00 0.00 19.45 17.85 2c3y n ALA 625 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 2c3y n PRO 626 N 2.77 1.50 -1.54 0.00 -0.04 -1.26 -4.81 135.00 131.62 2c3y n PRO 626 Ca 0.13 0.55 -0.46 0.00 -0.04 0.00 0.00 63.50 63.67 2c3y n PRO 626 Cb 0.33 -2.26 -0.05 0.00 -0.04 0.00 0.00 33.50 31.49 2c3y n PRO 626 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2c3y n ALA 627 N 4.19 1.52 -0.83 0.55 0.00 -1.26 -4.75 120.51 119.92 2c3y n ALA 627 Ca 0.21 -0.18 -0.33 0.00 0.00 0.00 0.00 53.44 53.14 2c3y n ALA 627 Cb 0.21 -2.78 0.13 0.00 0.00 0.00 0.00 19.45 17.00 2c3y n ALA 627 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 2c3y n GLU 628 N 8.55 -0.25 0.00 0.00 0.28 -1.26 -5.03 120.64 122.93 2c3y n GLU 628 Ca 0.34 -0.02 0.00 0.00 -0.16 0.00 0.00 57.16 57.32 2c3y n GLU 628 Cb 0.36 -1.98 0.00 0.00 1.43 0.00 0.00 31.44 31.25 2c3y n GLU 628 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 177.13 177.22 2c3y n THR 629 N -3.60 0.00 -2.67 3.84 -2.24 -1.26 -5.09 114.28 103.26 2c3y n THR 629 Ca 0.08 0.00 -0.05 0.00 -2.27 0.00 0.00 64.05 61.82 2c3y n THR 629 Cb 0.53 0.00 0.08 0.00 -2.10 0.00 0.00 70.33 68.84 2c3y n THR 629 CO 0.00 0.00 0.00 2.29 -0.57 0.00 0.00 175.07 176.79 2c3y n LYS 630 N 0.00 0.21 -1.74 -0.78 2.85 -1.26 -5.09 118.16 112.35 2c3y n LYS 630 Ca 0.00 -0.81 -0.28 0.00 -1.05 0.00 0.00 58.31 56.17 2c3y n LYS 630 Cb 0.00 -0.34 -0.05 0.00 -0.65 0.00 0.00 35.03 34.00 2c3y n LYS 630 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 2c3y s ALA 631 N 0.15 1.43 -0.11 0.58 0.00 -1.26 -4.93 121.76 117.63 2c3y s ALA 631 Ca 0.25 -0.63 0.02 0.00 0.00 0.00 0.00 51.96 51.60 2c3y s ALA 631 Cb 0.23 -4.45 -0.01 0.00 0.00 0.00 0.00 23.12 18.88 2c3y s ALA 631 CO -0.12 -4.89 -0.16 -1.83 0.00 0.00 0.00 175.76 168.75 2c3y s GLU 632 N 8.03 3.11 0.85 0.00 -1.05 -1.26 -5.13 118.70 123.25 2c3y s GLU 632 Ca 0.86 -0.74 -0.12 0.00 -0.15 0.00 0.00 54.97 54.82 2c3y s GLU 632 Cb -0.13 -2.49 0.14 0.00 -0.44 0.00 0.00 34.13 31.21 2c3y s GLU 632 CO 0.15 0.29 1.20 -1.25 0.95 0.00 0.00 175.26 176.59 2c3y s PRO 633 N 0.13 1.34 0.51 -4.83 0.04 -1.26 -5.05 135.00 125.89 2c3y s PRO 633 Ca -0.08 -0.34 -0.19 0.00 0.04 0.00 0.00 61.00 60.43 2c3y s PRO 633 Cb -0.15 -1.98 -0.08 0.00 0.04 0.00 0.00 34.50 32.33 2c3y s PRO 633 CO 0.05 -1.91 1.05 1.41 0.04 0.00 0.00 177.00 177.64 2c3y s MET 634 N -5.62 3.70 0.06 4.56 -2.45 -1.26 -5.05 119.30 113.24 2c3y s MET 634 Ca 0.68 1.35 -0.27 0.00 -1.25 0.00 0.00 55.69 56.20 2c3y s MET 634 Cb -0.07 -2.08 0.09 0.00 1.25 0.00 0.00 34.83 34.02 2c3y s MET 634 CO 0.50 -0.52 0.92 0.99 1.05 0.00 0.00 175.02 177.96 2c3y s THR 635 N -2.04 0.00 0.99 10.11 2.01 -1.26 -5.09 115.64 120.36 2c3y s THR 635 Ca 0.67 -0.28 -0.12 0.00 0.31 0.00 0.00 61.69 62.27 2c3y s THR 635 Cb -0.17 -1.43 0.18 0.00 0.01 0.00 0.00 72.50 71.09 2c3y s THR 635 CO 0.23 0.00 1.08 0.20 -0.69 0.00 0.00 174.62 175.44 2c3y s ASN 636 N -2.69 2.57 -0.18 3.53 0.01 -1.26 -4.88 114.94 112.05 2c3y s ASN 636 Ca 0.08 1.60 -0.00 0.00 -0.71 0.00 0.00 52.86 53.83 2c3y s ASN 636 Cb -0.01 -2.26 0.01 0.00 0.41 0.00 0.00 41.25 39.40 2c3y s ASN 636 CO -0.04 -3.23 -0.15 -1.61 -1.51 0.00 0.00 177.10 170.56 2c3y s GLU 637 N -4.75 3.15 0.00 -0.60 8.01 -1.26 -2.27 118.70 120.98 2c3y s GLU 637 Ca 0.66 -0.76 0.00 0.00 0.01 0.00 0.00 54.97 54.87 2c3y s GLU 637 Cb -0.21 -2.66 0.00 0.00 -4.31 0.00 0.00 34.13 26.95 2c3y s GLU 637 CO 0.59 -0.11 0.00 0.34 0.01 0.00 0.00 175.26 176.09 2c3y n PHE 638 N 4.40 0.00 -0.07 1.61 7.35 -1.26 -1.55 117.46 127.94 2c3y n PHE 638 Ca -0.20 0.00 -0.11 0.00 -0.76 0.00 0.00 57.45 56.39 2c3y n PHE 638 Cb 0.51 0.00 -0.04 0.00 0.35 0.00 0.00 39.48 40.30 2c3y n PHE 638 CO 0.00 0.00 0.00 0.35 -0.76 0.00 0.00 176.76 176.35 2c3y h PHE 639 N 0.00 0.39 -0.30 -5.13 3.57 -1.91 0.14 116.94 113.69 2c3y h PHE 639 Ca 0.00 -0.05 -0.02 0.00 3.53 0.00 0.00 57.97 61.43 2c3y h PHE 639 Cb 0.00 -0.11 -0.01 0.00 2.79 0.00 0.00 35.95 38.62 2c3y h PHE 639 CO 0.00 0.47 0.09 0.87 -2.23 0.00 0.00 178.31 177.51 2c3y h LYS 640 N 0.19 0.47 0.00 1.11 1.57 -1.44 0.29 116.57 118.76 2c3y h LYS 640 Ca 0.07 -0.10 -0.02 0.00 -1.87 0.00 0.00 60.65 58.73 2c3y h LYS 640 Cb 0.27 -0.07 -0.00 0.00 0.08 0.00 0.00 32.23 32.51 2c3y h LYS 640 CO 0.00 0.52 -0.69 -0.91 -0.57 0.00 0.00 179.45 177.80 2c3y h ASN 641 N 0.32 0.00 0.00 0.86 2.35 -1.27 -3.40 115.58 114.45 2c3y h ASN 641 Ca 0.10 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.85 2c3y h ASN 641 Cb 0.25 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.62 2c3y h ASN 641 CO -0.00 0.08 0.00 0.52 -1.65 0.00 0.00 177.43 176.38 2c3y n VAL 642 N -2.87 1.06 -0.08 2.81 0.31 0.45 -4.78 118.33 115.24 2c3y n VAL 642 Ca 0.01 0.35 -0.14 0.00 -0.01 0.00 0.00 64.34 64.55 2c3y n VAL 642 Cb 0.58 -1.44 -0.05 0.00 -0.91 0.00 0.00 33.84 32.02 2c3y n VAL 642 CO 0.00 0.00 0.00 1.62 -1.32 0.00 0.00 176.83 177.13 2c3y h VAL 643 N 0.00 1.31 -0.04 2.52 3.04 -1.45 -2.71 116.25 118.92 2c3y h VAL 643 Ca 0.00 -1.50 0.04 0.00 -1.01 0.00 0.00 66.70 64.22 2c3y h VAL 643 Cb 0.00 1.65 -0.05 0.00 -2.01 0.00 0.00 31.29 30.89 2c3y h VAL 643 CO 0.00 0.48 -0.23 0.50 -1.01 0.00 0.00 177.57 177.31 2c3y h LYS 644 N 0.41 -0.33 -0.85 4.17 1.63 -0.65 0.30 116.57 121.25 2c3y h LYS 644 Ca 0.04 0.02 0.07 0.00 -0.85 0.00 0.00 60.65 59.93 2c3y h LYS 644 Cb 0.90 0.07 -0.06 0.00 -0.60 0.00 0.00 32.23 32.54 2c3y h LYS 644 CO 0.08 -0.22 0.52 -1.35 -3.45 0.00 0.00 179.45 175.02 2c3y h PRO 645 N -0.34 0.90 -0.35 1.90 0.11 -1.76 -0.97 132.00 131.48 2c3y h PRO 645 Ca 0.07 -0.05 -0.03 0.00 0.11 0.00 0.00 66.00 66.10 2c3y h PRO 645 Cb 0.44 -0.20 -0.01 0.00 0.11 0.00 0.00 31.00 31.33 2c3y h PRO 645 CO -0.24 0.59 0.10 0.82 -0.21 0.00 0.00 178.00 179.06 2c3y h ILE 646 N 0.92 1.22 0.00 4.15 2.04 -1.01 0.22 117.51 125.05 2c3y h ILE 646 Ca 0.38 -0.72 -0.02 0.00 1.00 0.00 0.00 64.86 65.50 2c3y h ILE 646 Cb 0.21 1.02 -0.00 0.00 -0.74 0.00 0.00 36.82 37.31 2c3y h ILE 646 CO -0.19 0.25 -0.09 -0.07 0.00 0.00 0.00 178.15 178.05 2c3y h LEU 647 N 0.42 0.00 -2.73 1.44 3.38 0.14 -1.75 115.31 116.20 2c3y h LEU 647 Ca 0.11 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.08 2c3y h LEU 647 Cb 0.28 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.03 2c3y h LEU 647 CO -0.00 0.09 0.00 0.35 0.09 0.00 0.00 178.44 178.97 2c3y n THR 648 N -3.61 1.85 -2.08 0.22 -2.24 -0.42 -4.89 114.28 103.11 2c3y n THR 648 Ca -0.02 -0.96 -0.16 0.00 -2.27 0.00 0.00 64.05 60.64 2c3y n THR 648 Cb 0.21 -0.28 -0.02 0.00 -2.10 0.00 0.00 70.33 68.13 2c3y n THR 648 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2c3y n GLN 649 N 0.50 -1.20 -0.23 -0.78 1.13 -0.66 -4.81 117.38 111.32 2c3y n GLN 649 Ca 0.19 0.83 0.06 0.00 -1.94 0.00 0.00 57.00 56.15 2c3y n GLN 649 Cb 0.88 -5.14 0.17 0.00 0.11 0.00 0.00 30.24 26.26 2c3y n GLN 649 CO 0.00 0.00 0.00 1.04 -1.44 0.00 0.00 177.06 176.66 2c3y n GLN 650 N -2.51 2.88 -0.20 -1.09 1.13 0.74 -4.67 117.38 113.66 2c3y n GLN 650 Ca -0.18 -2.23 0.11 0.00 -1.94 0.00 0.00 57.00 52.77 2c3y n GLN 650 Cb 0.61 -1.40 0.42 0.00 0.11 0.00 0.00 30.24 29.97 2c3y n GLN 650 CO 0.00 0.00 0.00 0.78 -1.44 0.00 0.00 177.06 176.40 2c3y h GLY 651 N 1.83 0.95 1.39 1.08 0.00 -1.75 -1.96 103.07 104.60 2c3y h GLY 651 Ca 0.00 -0.26 0.08 0.00 0.00 0.00 0.00 47.33 47.15 2c3y h GLY 651 CO 0.06 0.12 0.23 -0.55 0.00 0.00 0.00 176.54 176.39 2c3y h ASP 652 N 0.61 0.00 0.67 0.19 3.32 -1.93 -0.35 116.42 118.93 2c3y h ASP 652 Ca 0.38 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.43 2c3y h ASP 652 Cb 0.62 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.17 2c3y h ASP 652 CO -0.14 0.00 -0.17 0.29 -1.72 0.00 0.00 179.24 177.49 2c3y n LYS 653 N -4.13 0.20 -2.27 3.56 5.02 -0.74 -4.82 118.16 114.98 2c3y n LYS 653 Ca 0.04 -0.06 -0.42 0.00 -2.02 0.00 0.00 58.31 55.84 2c3y n LYS 653 Cb 0.38 -1.50 -0.03 0.00 -0.02 0.00 0.00 35.03 33.86 2c3y n LYS 653 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2c3y s LEU 654 N -2.84 4.31 0.77 -0.35 1.02 -0.14 -4.97 118.68 116.48 2c3y s LEU 654 Ca 0.18 2.05 -0.11 0.00 0.02 0.00 0.00 54.13 56.26 2c3y s LEU 654 Cb 0.19 -3.56 0.06 0.00 0.02 0.00 0.00 46.19 42.89 2c3y s LEU 654 CO 0.56 -0.69 1.10 -2.16 0.02 0.00 0.00 176.35 175.18 2c3y s PRO 655 N 2.37 2.28 0.40 1.29 0.04 -1.26 -4.73 135.00 135.38 2c3y s PRO 655 Ca 0.62 0.59 0.10 0.00 0.04 0.00 0.00 61.00 62.35 2c3y s PRO 655 Cb -0.30 -1.94 0.91 0.00 0.04 0.00 0.00 34.50 33.21 2c3y s PRO 655 CO 0.25 -1.47 1.97 -0.39 0.04 0.00 0.00 177.00 177.40 2c3y h VAL 656 N -0.98 0.95 0.00 -0.36 -1.51 -1.81 -1.05 116.25 111.49 2c3y h VAL 656 Ca -0.46 -0.19 0.00 0.00 -1.23 0.00 0.00 66.70 64.82 2c3y h VAL 656 Cb 1.27 0.35 0.00 0.00 -2.13 0.00 0.00 31.29 30.77 2c3y h VAL 656 CO 0.60 0.10 0.00 -1.54 -1.23 0.00 0.00 177.57 175.51 2c3y n SER 657 N -4.48 0.42 0.09 4.19 3.41 -1.26 -2.08 113.62 113.91 2c3y n SER 657 Ca 0.10 0.68 0.13 0.00 -0.26 0.00 0.00 58.87 59.52 2c3y n SER 657 Cb 0.31 -0.74 0.45 0.00 -0.26 0.00 0.00 64.21 63.97 2c3y n SER 657 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2c3y n ALA 658 N -1.70 2.20 -2.58 7.33 0.00 -0.40 -4.88 120.51 120.48 2c3y n ALA 658 Ca -0.00 -0.02 -0.25 0.00 0.00 0.00 0.00 53.44 53.17 2c3y n ALA 658 Cb 0.06 -1.45 -0.09 0.00 0.00 0.00 0.00 19.45 17.97 2c3y n ALA 658 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 2c3y s PHE 659 N -3.11 2.59 0.05 0.00 0.40 -0.88 -5.06 117.98 111.97 2c3y s PHE 659 Ca 0.10 -0.24 -0.30 0.00 -0.60 0.00 0.00 56.93 55.89 2c3y s PHE 659 Cb 0.13 -1.20 -0.05 0.00 0.51 0.00 0.00 43.02 42.41 2c3y s PHE 659 CO 0.55 0.58 1.11 -1.21 0.70 0.00 0.00 175.22 176.96 2c3y s GLU 660 N -3.24 4.49 0.48 0.44 0.41 -1.26 -4.92 118.70 115.11 2c3y s GLU 660 Ca 0.28 1.64 0.28 0.00 -0.41 0.00 0.00 54.97 56.76 2c3y s GLU 660 Cb -0.07 -3.38 1.35 0.00 -1.78 0.00 0.00 34.13 30.25 2c3y s GLU 660 CO 0.17 -0.15 1.82 0.00 -0.49 0.00 0.00 175.26 176.60 2c3y h ALA 661 N 6.62 2.70 -0.58 5.21 0.00 -1.95 0.12 119.26 131.38 2c3y h ALA 661 Ca -0.42 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.49 2c3y h ALA 661 Cb 1.22 0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.06 2c3y h ALA 661 CO 0.78 -1.04 0.00 -0.40 0.00 0.00 0.00 179.25 178.59 2c3y n ASP 662 N -4.38 3.38 0.00 0.00 3.85 -1.26 -4.96 116.55 113.18 2c3y n ASP 662 Ca 0.24 -1.98 0.00 0.00 -0.71 0.00 0.00 54.79 52.33 2c3y n ASP 662 Cb 1.02 -0.38 0.00 0.00 -1.35 0.00 0.00 41.12 40.41 2c3y n ASP 662 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 2c3y n GLY 663 N 1.51 0.69 3.77 6.12 0.00 0.43 -4.82 105.19 112.90 2c3y n GLY 663 Ca 0.21 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.89 2c3y n GLY 663 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2c3y s ARG 664 N -0.19 3.06 0.13 1.61 1.70 -1.26 -4.93 118.95 119.07 2c3y s ARG 664 Ca 0.00 1.49 0.06 0.00 -0.47 0.00 0.00 55.73 56.81 2c3y s ARG 664 Cb 0.00 -1.98 -0.04 0.00 -0.57 0.00 0.00 34.95 32.37 2c3y s ARG 664 CO 0.00 -1.06 -0.13 -0.06 -1.08 0.00 0.00 175.30 172.97 2c3y s PHE 665 N -2.08 1.38 0.45 5.89 0.40 -1.26 -4.56 117.98 118.20 2c3y s PHE 665 Ca 0.70 -0.59 -0.12 0.00 -0.60 0.00 0.00 56.93 56.31 2c3y s PHE 665 Cb -0.22 -0.71 -0.07 0.00 0.51 0.00 0.00 43.02 42.53 2c3y s PHE 665 CO 0.35 0.14 0.86 -1.25 0.70 0.00 0.00 175.22 176.01 2c3y s PRO 666 N -2.86 3.83 0.72 0.24 0.04 -1.26 -5.06 135.00 130.64 2c3y s PRO 666 Ca 0.10 0.64 -0.11 0.00 0.04 0.00 0.00 61.00 61.68 2c3y s PRO 666 Cb -0.04 -2.29 0.02 0.00 0.04 0.00 0.00 34.50 32.24 2c3y s PRO 666 CO 0.03 -0.14 1.07 -0.51 0.04 0.00 0.00 177.00 177.48 2c3y s LEU 667 N -4.00 2.96 -0.59 -3.56 1.02 -1.26 -4.34 118.68 108.91 2c3y s LEU 667 Ca 0.54 1.47 0.00 0.00 0.02 0.00 0.00 54.13 56.16 2c3y s LEU 667 Cb -0.10 -4.28 0.00 0.00 0.02 0.00 0.00 46.19 41.83 2c3y s LEU 667 CO 0.33 -1.54 0.00 0.61 0.02 0.00 0.00 176.35 175.76 2c3y n GLY 668 N -2.17 0.79 0.17 -3.19 0.00 0.23 -4.88 105.19 96.15 2c3y n GLY 668 Ca 0.07 -0.50 0.13 0.00 0.00 0.00 0.00 46.02 45.72 2c3y n GLY 668 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 2c3y h THR 669 N 0.00 0.00 0.00 2.61 1.35 -1.64 -2.68 112.91 112.54 2c3y h THR 669 Ca -0.11 -0.31 0.00 0.00 -0.55 0.00 0.00 66.41 65.43 2c3y h THR 669 Cb 0.46 1.12 0.00 0.00 -1.73 0.00 0.00 68.15 68.01 2c3y h THR 669 CO 0.17 0.00 0.00 -1.54 -0.25 0.00 0.00 175.52 173.90 2c3y n SER 670 N -2.47 0.40 0.28 5.36 3.41 -0.99 -3.45 113.62 116.16 2c3y n SER 670 Ca 0.02 0.56 0.12 0.00 -0.26 0.00 0.00 58.87 59.31 2c3y n SER 670 Cb 0.25 -0.66 0.80 0.00 -0.26 0.00 0.00 64.21 64.35 2c3y n SER 670 CO 0.00 0.00 0.00 1.56 -0.16 0.00 0.00 175.04 176.44 2c3y h GLN 671 N 0.00 0.00 -0.02 4.33 1.08 -1.75 -2.86 115.11 115.89 2c3y h GLN 671 Ca 0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 2c3y h GLN 671 Cb 0.49 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.92 2c3y h GLN 671 CO 0.00 0.00 -0.10 1.19 -0.95 0.00 0.00 178.83 178.97 2c3y n PHE 672 N -4.13 0.00 -0.07 2.96 3.01 -1.22 -4.59 117.46 113.41 2c3y n PHE 672 Ca -0.03 0.00 -0.11 0.00 1.01 0.00 0.00 57.45 58.32 2c3y n PHE 672 Cb 0.09 0.00 -0.04 0.00 -0.01 0.00 0.00 39.48 39.52 2c3y n PHE 672 CO 0.00 0.00 0.00 0.93 1.01 0.00 0.00 176.76 178.70 2c3y h GLU 673 N 3.09 0.35 -6.11 -1.08 5.08 -1.67 -3.47 114.58 110.77 2c3y h GLU 673 Ca 0.00 -0.07 -0.33 0.00 -1.00 0.00 0.00 59.36 57.96 2c3y h GLU 673 Cb 0.71 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.90 2c3y h GLU 673 CO 0.00 0.42 -0.76 1.63 -1.00 0.00 0.00 179.01 179.30 2c3y n LYS 674 N -4.78 -1.07 -0.06 2.33 4.76 -1.26 -4.85 118.16 113.22 2c3y n LYS 674 Ca -0.03 0.54 -0.10 0.00 -2.87 0.00 0.00 58.31 55.84 2c3y n LYS 674 Cb 0.14 -1.48 0.04 0.00 -1.84 0.00 0.00 35.03 31.89 2c3y n LYS 674 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2c3y h ARG 675 N 0.23 0.75 -5.70 1.97 3.08 -1.91 -3.48 114.38 109.32 2c3y h ARG 675 Ca -0.43 -0.40 -0.33 0.00 0.07 0.00 0.00 59.98 58.89 2c3y h ARG 675 Cb 0.95 0.02 0.15 0.00 0.08 0.00 0.00 29.97 31.17 2c3y h ARG 675 CO 0.24 1.02 -0.82 0.41 -1.07 0.00 0.00 179.97 179.75 2c3y n GLY 676 N 0.09 -0.68 0.85 0.04 0.00 0.73 -4.93 105.19 101.30 2c3y n GLY 676 Ca -0.02 0.30 0.09 0.00 0.00 0.00 0.00 46.02 46.39 2c3y n GLY 676 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2c3y n VAL 677 N -3.85 0.56 -2.48 1.61 0.24 -1.26 -4.98 118.33 108.16 2c3y n VAL 677 Ca -0.20 -0.78 -0.40 0.00 -2.04 0.00 0.00 64.34 60.92 2c3y n VAL 677 Cb 0.65 0.88 -0.04 0.00 -1.47 0.00 0.00 33.84 33.85 2c3y n VAL 677 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2c3y s ALA 678 N -1.19 3.38 -0.12 2.33 0.00 -1.26 -4.93 121.76 119.97 2c3y s ALA 678 Ca 0.29 0.88 -0.26 0.00 0.00 0.00 0.00 51.96 52.86 2c3y s ALA 678 Cb 0.17 -3.32 -0.27 0.00 0.00 0.00 0.00 23.12 19.70 2c3y s ALA 678 CO 0.23 -0.16 0.74 0.82 0.00 0.00 0.00 175.76 177.39 2c3y h ILE 679 N 3.01 1.63 -4.28 0.00 1.08 -1.90 -3.42 117.51 113.62 2c3y h ILE 679 Ca -0.47 -2.38 -0.63 0.00 -0.39 0.00 0.00 64.86 61.00 2c3y h ILE 679 Cb 1.21 3.22 -0.27 0.00 -3.07 0.00 0.00 36.82 37.92 2c3y h ILE 679 CO 0.66 0.61 -0.86 0.20 -0.69 0.00 0.00 178.15 178.08 2c3y s ASN 680 N -6.48 2.71 0.12 1.72 0.01 -1.26 -1.59 114.94 110.17 2c3y s ASN 680 Ca -0.19 -0.52 0.05 0.00 -0.71 0.00 0.00 52.86 51.50 2c3y s ASN 680 Cb -0.01 -0.25 -0.04 0.00 0.41 0.00 0.00 41.25 41.36 2c3y s ASN 680 CO 0.72 0.22 -0.12 0.68 -1.51 0.00 0.00 177.10 177.08 2c3y s VAL 681 N -0.74 1.18 0.42 1.60 -7.23 0.65 -3.82 120.40 112.45 2c3y s VAL 681 Ca 0.09 -1.81 -0.23 0.00 -1.81 0.00 0.00 61.98 58.22 2c3y s VAL 681 Cb -0.09 -1.59 -0.09 0.00 0.56 0.00 0.00 36.38 35.17 2c3y s VAL 681 CO 0.01 -0.56 1.02 -2.16 -0.31 0.00 0.00 175.10 173.10 2c3y s PRO 682 N -3.06 4.10 -0.14 4.82 0.04 -1.26 0.09 135.00 139.59 2c3y s PRO 682 Ca 0.11 1.40 0.01 0.00 0.04 0.00 0.00 61.00 62.55 2c3y s PRO 682 Cb -0.02 -2.38 -0.00 0.00 0.04 0.00 0.00 34.50 32.13 2c3y s PRO 682 CO 0.01 -0.17 -0.16 -1.14 0.04 0.00 0.00 177.00 175.58 2c3y s GLN 683 N -2.76 3.23 0.20 4.56 0.74 0.66 -4.86 119.66 121.42 2c3y s GLN 683 Ca 0.60 -0.76 -0.30 0.00 0.05 0.00 0.00 55.36 54.96 2c3y s GLN 683 Cb -0.18 -2.57 -0.08 0.00 1.10 0.00 0.00 33.01 31.27 2c3y s GLN 683 CO 0.23 0.09 1.04 -0.46 -0.55 0.00 0.00 175.29 175.63 2c3y s TRP 684 N 0.64 3.73 -0.63 1.67 -0.00 -1.26 -1.68 118.94 121.40 2c3y s TRP 684 Ca -0.09 1.73 0.05 0.00 -0.00 0.00 0.00 56.10 57.79 2c3y s TRP 684 Cb -0.16 -3.17 0.15 0.00 -0.00 0.00 0.00 33.47 30.30 2c3y s TRP 684 CO 0.03 -0.19 0.40 0.08 -0.00 0.00 0.00 176.95 177.27 2c3y s VAL 685 N -0.57 2.70 0.25 5.86 1.01 0.31 -4.96 120.40 125.00 2c3y s VAL 685 Ca 0.46 -3.88 -0.04 0.00 0.00 0.00 0.00 61.98 58.52 2c3y s VAL 685 Cb -0.28 -2.81 0.39 0.00 0.00 0.00 0.00 36.38 33.68 2c3y s VAL 685 CO 0.34 -0.94 1.34 -2.65 0.00 0.00 0.00 175.10 173.20 2c3y n PRO 686 N 2.42 -0.07 0.13 2.72 -0.02 -1.26 -1.10 135.00 137.82 2c3y n PRO 686 Ca 0.14 1.33 0.14 0.00 -2.02 0.00 0.00 63.50 63.09 2c3y n PRO 686 Cb 0.34 -2.02 0.67 0.00 -0.02 0.00 0.00 33.50 32.48 2c3y n PRO 686 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 2c3y h GLU 687 N 0.00 0.00 0.00 -0.52 3.07 -1.96 -2.15 114.58 113.02 2c3y h GLU 687 Ca 0.44 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.30 2c3y h GLU 687 Cb 0.75 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.66 2c3y h GLU 687 CO -0.86 0.00 -1.04 0.09 -1.40 0.00 0.00 179.01 175.79 2c3y n ASN 688 N -4.43 0.61 -4.75 1.42 5.03 -0.26 -4.96 115.26 107.92 2c3y n ASN 688 Ca 0.03 -0.16 -0.41 0.00 0.87 0.00 0.00 54.58 54.92 2c3y n ASN 688 Cb 0.35 0.79 -0.03 0.00 -1.02 0.00 0.00 39.78 39.87 2c3y n ASN 688 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 2c3y n ILE 690 N 1.65 1.13 -3.63 0.00 -5.35 -1.26 -5.00 119.36 106.91 2c3y n ILE 690 Ca 0.03 -1.08 -0.24 0.00 -0.27 0.00 0.00 62.75 61.19 2c3y n ILE 690 Cb 0.42 0.43 0.04 0.00 -1.74 0.00 0.00 39.64 38.79 2c3y n ILE 690 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2c3y n GLN 691 N 0.55 -3.07 0.01 6.28 6.02 -1.26 -4.94 117.38 120.97 2c3y n GLN 691 Ca 0.14 0.60 0.11 0.00 -0.01 0.00 0.00 57.00 57.83 2c3y n GLN 691 Cb 0.50 -4.90 -0.12 0.00 1.02 0.00 0.00 30.24 26.74 2c3y n GLN 691 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2c3y n ASN 693 N -2.08 -3.49 0.02 0.00 5.03 -1.26 -4.44 115.26 109.05 2c3y n ASN 693 Ca -0.01 0.00 -0.01 0.00 0.87 0.00 0.00 54.58 55.43 2c3y n ASN 693 Cb 0.50 -1.98 0.29 0.00 -1.02 0.00 0.00 39.78 37.57 2c3y n ASN 693 CO 0.00 0.00 0.00 1.56 -1.83 0.00 0.00 177.26 176.99 2c3y h GLN 694 N 0.67 0.46 -0.38 3.52 4.20 -1.94 -2.62 115.11 119.02 2c3y h GLN 694 Ca 0.00 -0.12 -0.00 0.00 0.06 0.00 0.00 58.65 58.59 2c3y h GLN 694 Cb 0.42 -0.06 -0.02 0.00 0.30 0.00 0.00 27.48 28.12 2c3y h GLN 694 CO 0.00 0.56 0.23 0.00 -0.67 0.00 0.00 178.83 178.95 2c3y h ALA 696 N 1.10 1.04 -0.73 0.00 0.00 -1.83 -2.77 119.26 116.07 2c3y h ALA 696 Ca 0.14 -0.31 -0.02 0.00 0.00 0.00 0.00 54.91 54.72 2c3y h ALA 696 Cb 0.01 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.60 2c3y h ALA 696 CO -0.03 0.58 0.38 0.35 0.00 0.00 0.00 179.25 180.54 2c3y h PHE 697 N 0.66 1.00 0.00 0.00 3.57 -1.13 -3.13 116.94 117.91 2c3y h PHE 697 Ca 0.11 -0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.59 2c3y h PHE 697 Cb 0.57 -0.32 0.00 0.00 2.79 0.00 0.00 35.95 39.00 2c3y h PHE 697 CO 0.03 0.71 -0.60 0.28 -2.23 0.00 0.00 178.31 176.50 2c3y h VAL 698 N 1.02 0.00 -2.39 1.41 2.07 -1.24 -3.47 116.25 113.65 2c3y h VAL 698 Ca 0.26 -0.75 -0.55 0.00 0.82 0.00 0.00 66.70 66.48 2c3y h VAL 698 Cb 0.06 1.41 0.04 0.00 -1.52 0.00 0.00 31.29 31.27 2c3y h VAL 698 CO -0.04 0.00 1.08 0.00 0.02 0.00 0.00 177.57 178.63 2c3y n PRO 700 N 5.64 0.23 -0.01 0.00 -0.02 -1.26 -3.62 135.00 135.96 2c3y n PRO 700 Ca 0.19 0.11 0.00 0.00 -2.02 0.00 0.00 63.50 61.77 2c3y n PRO 700 Cb 0.35 -1.50 0.00 0.00 -0.02 0.00 0.00 33.50 32.33 2c3y n PRO 700 CO 0.00 0.00 0.00 0.72 1.98 0.00 0.00 175.50 178.20 2c3y n HIS 701 N -1.33 0.00 -2.73 6.00 8.25 -1.26 -4.60 115.22 119.54 2c3y n HIS 701 Ca 0.09 -0.18 -0.21 0.00 -0.26 0.00 0.00 57.72 57.16 2c3y n HIS 701 Cb 0.18 -0.02 0.02 0.00 1.12 0.00 0.00 29.99 31.29 2c3y n HIS 701 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 2c3y n SER 702 N -0.18 -5.90 -0.24 0.41 2.88 -1.24 -2.05 113.62 107.30 2c3y n SER 702 Ca 0.00 -0.17 0.11 0.00 -1.33 0.00 0.00 58.87 57.49 2c3y n SER 702 Cb 0.42 -4.81 0.55 0.00 -0.75 0.00 0.00 64.21 59.62 2c3y n SER 702 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2c3y n ALA 703 N -2.85 2.59 -3.96 -1.46 0.00 -1.26 -4.73 120.51 108.83 2c3y n ALA 703 Ca -0.17 -0.30 -0.33 0.00 0.00 0.00 0.00 53.44 52.64 2c3y n ALA 703 Cb 0.65 -1.25 -0.16 0.00 0.00 0.00 0.00 19.45 18.69 2c3y n ALA 703 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 2c3y s ILE 704 N -1.93 2.33 -0.35 0.00 1.01 -1.26 0.06 121.20 121.06 2c3y s ILE 704 Ca 0.34 -0.85 -0.04 0.00 0.00 0.00 0.00 60.65 60.09 2c3y s ILE 704 Cb 0.17 -1.99 0.06 0.00 0.01 0.00 0.00 42.46 40.70 2c3y s ILE 704 CO 0.27 0.52 0.10 -0.22 0.00 0.00 0.00 174.94 175.61 2c3y s LEU 705 N 1.29 4.42 0.22 2.97 2.96 0.13 -4.76 118.68 125.91 2c3y s LEU 705 Ca 0.04 -1.39 -0.30 0.00 -0.22 0.00 0.00 54.13 52.27 2c3y s LEU 705 Cb -0.13 -1.82 -0.09 0.00 0.50 0.00 0.00 46.19 44.65 2c3y s LEU 705 CO -0.10 -0.36 1.17 -2.84 -1.32 0.00 0.00 176.35 172.89 2c3y s PRO 706 N 1.30 4.53 -0.12 0.98 0.02 -1.26 -1.32 135.00 139.13 2c3y s PRO 706 Ca -0.01 1.87 0.03 0.00 0.02 0.00 0.00 61.00 62.91 2c3y s PRO 706 Cb -0.21 -3.22 0.01 0.00 0.02 0.00 0.00 34.50 31.10 2c3y s PRO 706 CO 0.00 0.00 -0.22 0.08 -0.33 0.00 0.00 177.00 176.54 2c3y s VAL 707 N -0.45 1.97 -0.25 3.83 1.01 0.16 -4.93 120.40 121.74 2c3y s VAL 707 Ca 0.50 -0.94 0.00 0.00 0.00 0.00 0.00 61.98 61.54 2c3y s VAL 707 Cb -0.33 -1.73 0.07 0.00 0.00 0.00 0.00 36.38 34.39 2c3y s VAL 707 CO 0.39 0.53 -0.01 -0.22 0.00 0.00 0.00 175.10 175.80 2c3y s LEU 708 N 0.68 2.42 0.17 3.92 2.96 -1.26 -0.83 118.68 126.74 2c3y s LEU 708 Ca -0.11 -1.25 0.06 0.00 -0.22 0.00 0.00 54.13 52.61 2c3y s LEU 708 Cb -0.16 -1.05 -0.04 0.00 0.50 0.00 0.00 46.19 45.43 2c3y s LEU 708 CO 0.02 -0.29 -0.12 0.00 -1.32 0.00 0.00 176.35 174.64 2c3y s ALA 709 N 1.48 1.71 0.38 5.97 0.00 -0.29 -4.63 121.76 126.37 2c3y s ALA 709 Ca -0.01 -1.55 -0.08 0.00 0.00 0.00 0.00 51.96 50.32 2c3y s ALA 709 Cb -0.18 -0.02 -0.06 0.00 0.00 0.00 0.00 23.12 22.85 2c3y s ALA 709 CO -0.09 -0.00 0.71 0.15 0.00 0.00 0.00 175.76 176.52 2c3y s LYS 710 N -3.60 3.71 0.31 0.00 1.02 -1.26 -0.14 119.74 119.78 2c3y s LYS 710 Ca 0.19 0.31 0.06 0.00 0.02 0.00 0.00 55.97 56.54 2c3y s LYS 710 Cb 0.00 -2.47 0.83 0.00 -0.52 0.00 0.00 37.83 35.68 2c3y s LYS 710 CO 0.04 0.02 1.66 1.49 -0.92 0.00 0.00 175.35 177.64 2c3y h GLU 711 N 1.29 0.29 -0.89 1.68 4.81 -1.96 0.29 114.58 120.09 2c3y h GLU 711 Ca -0.47 -0.02 0.03 0.00 -0.13 0.00 0.00 59.36 58.77 2c3y h GLU 711 Cb 1.19 -0.07 -0.05 0.00 0.63 0.00 0.00 28.75 30.45 2c3y h GLU 711 CO 0.64 0.19 0.58 0.93 -0.73 0.00 0.00 179.01 180.62 2c3y h GLU 712 N 0.30 1.09 0.00 1.92 4.39 -1.97 -2.56 114.58 117.75 2c3y h GLU 712 Ca 0.61 -0.07 0.00 0.00 0.34 0.00 0.00 59.36 60.25 2c3y h GLU 712 Cb 1.27 -0.25 0.00 0.00 -0.10 0.00 0.00 28.75 29.67 2c3y h GLU 712 CO -0.61 0.72 0.00 0.39 -1.16 0.00 0.00 179.01 178.36 2c3y n GLU 713 N -4.52 0.16 -0.35 2.33 1.02 0.09 -2.82 120.64 116.55 2c3y n GLU 713 Ca 0.11 0.18 0.07 0.00 -0.02 0.00 0.00 57.16 57.50 2c3y n GLU 713 Cb 0.08 -1.50 0.22 0.00 -0.02 0.00 0.00 31.44 30.23 2c3y n GLU 713 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 2c3y n LEU 714 N -1.32 3.57 0.25 -4.62 4.32 -0.96 -4.72 117.00 113.51 2c3y n LEU 714 Ca 0.06 -2.49 -0.16 0.00 -0.02 0.00 0.00 56.01 53.39 2c3y n LEU 714 Cb 0.11 -0.41 -0.08 0.00 -1.62 0.00 0.00 43.42 41.43 2c3y n LEU 714 CO 0.10 0.71 0.63 0.58 -1.22 0.00 0.00 177.39 178.20 2c3y h VAL 715 N 2.17 0.27 -0.33 4.08 2.07 -1.64 -2.58 116.25 120.29 2c3y h VAL 715 Ca 0.00 0.00 -0.08 0.00 0.82 0.00 0.00 66.70 67.44 2c3y h VAL 715 Cb 1.13 0.27 -0.05 0.00 -1.52 0.00 0.00 31.29 31.12 2c3y h VAL 715 CO 0.13 0.00 0.10 0.61 0.02 0.00 0.00 177.57 178.43 2c3y n GLY 716 N -1.47 2.51 3.74 2.17 0.00 -1.26 -4.94 105.19 105.94 2c3y n GLY 716 Ca -0.10 -0.45 -0.41 0.00 0.00 0.00 0.00 46.02 45.05 2c3y n GLY 716 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2c3y s ALA 717 N -1.71 3.46 0.69 4.61 0.00 -0.97 -4.99 121.76 122.84 2c3y s ALA 717 Ca 0.26 1.00 -0.17 0.00 0.00 0.00 0.00 51.96 53.05 2c3y s ALA 717 Cb 0.20 -3.43 -0.04 0.00 0.00 0.00 0.00 23.12 19.85 2c3y s ALA 717 CO 0.07 -0.41 0.62 -2.30 0.00 0.00 0.00 175.76 173.74 2c3y n PRO 718 N 2.38 0.41 -0.26 0.00 -0.02 -1.26 -4.85 135.00 131.40 2c3y n PRO 718 Ca 0.04 0.18 0.04 0.00 -2.02 0.00 0.00 63.50 61.74 2c3y n PRO 718 Cb 0.44 -1.89 0.18 0.00 -0.02 0.00 0.00 33.50 32.21 2c3y n PRO 718 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2c3y h ALA 719 N -0.18 1.06 -0.21 3.55 0.00 -2.00 -1.03 119.26 120.45 2c3y h ALA 719 Ca -0.46 0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.54 2c3y h ALA 719 Cb 1.36 0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.18 2c3y h ALA 719 CO 0.45 -0.15 0.00 0.27 0.00 0.00 0.00 179.25 179.82 2c3y n ASN 720 N -4.95 2.06 -2.79 0.00 2.04 -1.26 -4.46 115.26 105.90 2c3y n ASN 720 Ca 0.14 -2.18 -0.29 0.00 -0.44 0.00 0.00 54.58 51.80 2c3y n ASN 720 Cb 0.37 -0.40 -0.07 0.00 -2.53 0.00 0.00 39.78 37.15 2c3y n ASN 720 CO 0.00 0.00 0.00 0.33 -0.44 0.00 0.00 177.26 177.15 2c3y n PHE 721 N 0.21 1.57 -1.61 -2.53 7.35 -0.39 -4.95 117.46 117.10 2c3y n PHE 721 Ca 0.09 -2.33 -0.49 0.00 -0.76 0.00 0.00 57.45 53.96 2c3y n PHE 721 Cb 0.42 -1.87 -0.04 0.00 0.35 0.00 0.00 39.48 38.34 2c3y n PHE 721 CO 0.00 0.00 0.00 2.41 -0.76 0.00 0.00 176.76 178.41 2c3y n THR 722 N 2.32 0.52 -4.16 -2.13 -1.04 -1.26 -4.95 114.28 103.58 2c3y n THR 722 Ca 0.59 -0.13 -0.14 0.00 -2.04 0.00 0.00 64.05 62.33 2c3y n THR 722 Cb 0.50 -1.04 -0.11 0.00 -1.82 0.00 0.00 70.33 67.86 2c3y n THR 722 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2c3y s ALA 723 N 0.18 1.04 0.21 2.41 0.00 -1.26 -4.80 121.76 119.53 2c3y s ALA 723 Ca 0.76 -1.14 0.10 0.00 0.00 0.00 0.00 51.96 51.68 2c3y s ALA 723 Cb -0.82 0.04 -0.04 0.00 0.00 0.00 0.00 23.12 22.29 2c3y s ALA 723 CO 0.48 -0.04 -0.11 -0.51 0.00 0.00 0.00 175.76 175.58 2c3y s LEU 724 N -2.36 2.91 0.13 0.00 1.43 0.66 -4.89 118.68 116.56 2c3y s LEU 724 Ca 0.04 -0.67 -0.31 0.00 -1.03 0.00 0.00 54.13 52.15 2c3y s LEU 724 Cb -0.03 -1.55 -0.09 0.00 0.03 0.00 0.00 46.19 44.55 2c3y s LEU 724 CO -0.00 0.08 1.44 -1.61 0.23 0.00 0.00 176.35 176.49 2c3y s GLU 725 N -3.04 4.29 0.17 1.70 2.02 -1.26 0.82 118.70 123.39 2c3y s GLU 725 Ca 0.26 2.16 -0.32 0.00 0.02 0.00 0.00 54.97 57.10 2c3y s GLU 725 Cb -0.08 -3.22 -0.11 0.00 0.10 0.00 0.00 34.13 30.83 2c3y s GLU 725 CO 0.15 -0.49 1.64 0.00 0.02 0.00 0.00 175.26 176.59 2c3y s ALA 726 N 1.11 3.83 0.37 5.21 0.00 0.39 -4.69 121.76 127.99 2c3y s ALA 726 Ca 0.66 1.44 -0.14 0.00 0.00 0.00 0.00 51.96 53.92 2c3y s ALA 726 Cb -0.39 -3.66 -0.08 0.00 0.00 0.00 0.00 23.12 18.99 2c3y s ALA 726 CO 0.30 -0.88 0.78 0.15 0.00 0.00 0.00 175.76 176.12 2c3y s LYS 727 N 1.35 3.94 0.00 0.00 1.02 -1.26 -4.60 119.74 120.19 2c3y s LYS 727 Ca 0.73 0.66 0.00 0.00 0.02 0.00 0.00 55.97 57.37 2c3y s LYS 727 Cb -0.46 -2.37 0.00 0.00 -0.52 0.00 0.00 37.83 34.48 2c3y s LYS 727 CO 0.32 0.04 0.00 0.41 -0.92 0.00 0.00 175.35 175.20 2c3y n GLY 728 N -0.81 2.37 0.29 -3.33 0.00 -1.26 -4.54 105.19 97.90 2c3y n GLY 728 Ca 0.04 -1.43 0.08 0.00 0.00 0.00 0.00 46.02 44.71 2c3y n GLY 728 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 2c3y h LYS 729 N 0.00 0.18 0.00 1.61 2.10 -1.99 -0.43 116.57 118.03 2c3y h LYS 729 Ca 0.00 -0.01 0.00 0.00 -2.00 0.00 0.00 60.65 58.64 2c3y h LYS 729 Cb 0.00 -0.04 0.00 0.00 -0.90 0.00 0.00 32.23 31.29 2c3y h LYS 729 CO 0.00 0.12 0.00 0.39 -2.00 0.00 0.00 179.45 177.96 2c3y n GLU 730 N -4.51 0.19 -3.02 0.07 4.71 -1.26 -3.76 120.64 113.05 2c3y n GLU 730 Ca 0.00 0.27 -0.26 0.00 -0.01 0.00 0.00 57.16 57.15 2c3y n GLU 730 Cb 0.12 -1.77 -0.04 0.00 -1.01 0.00 0.00 31.44 28.74 2c3y n GLU 730 CO 0.00 0.00 0.00 1.28 0.09 0.00 0.00 177.13 178.50 2c3y n LEU 731 N -2.10 4.11 0.00 -4.62 4.77 -0.17 -4.99 117.00 114.00 2c3y n LEU 731 Ca 0.04 -5.60 0.00 0.00 -0.03 0.00 0.00 56.01 50.42 2c3y n LEU 731 Cb 0.33 -0.47 0.00 0.00 -2.33 0.00 0.00 43.42 40.94 2c3y n LEU 731 CO 0.25 2.31 0.00 1.17 -1.33 0.00 0.00 177.39 179.79 2c3y n LYS 732 N -0.06 0.00 0.00 3.23 4.81 -1.24 -3.97 118.16 120.93 2c3y n LYS 732 Ca 0.30 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.74 2c3y n LYS 732 Cb 0.41 -0.43 0.00 0.00 0.02 0.00 0.00 35.03 35.03 2c3y n LYS 732 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2c3y n GLY 733 N 0.09 0.14 3.89 3.14 0.00 -1.26 -4.34 105.19 106.84 2c3y n GLY 733 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 2c3y n GLY 733 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2c3y s TYR 734 N -1.50 3.55 -0.12 1.61 1.51 -1.25 -4.40 117.35 116.75 2c3y s TYR 734 Ca 0.00 1.05 0.02 0.00 -1.01 0.00 0.00 57.07 57.13 2c3y s TYR 734 Cb 0.00 -2.61 -0.01 0.00 -0.11 0.00 0.00 41.96 39.23 2c3y s TYR 734 CO 0.00 -0.61 -0.19 0.15 -1.11 0.00 0.00 175.55 173.80 2c3y s LYS 735 N -5.03 3.21 -0.08 -0.62 -0.14 0.80 -0.46 119.74 117.42 2c3y s LYS 735 Ca 0.53 -0.79 -0.01 0.00 -1.36 0.00 0.00 55.97 54.34 2c3y s LYS 735 Cb -0.11 -2.47 -0.03 0.00 -1.68 0.00 0.00 37.83 33.55 2c3y s LYS 735 CO 0.50 0.18 -0.02 0.12 -0.76 0.00 0.00 175.35 175.37 2c3y s PHE 736 N 0.37 3.08 -0.17 3.18 5.36 0.24 -1.14 117.98 128.90 2c3y s PHE 736 Ca -0.15 0.13 -0.14 0.00 -0.96 0.00 0.00 56.93 55.82 2c3y s PHE 736 Cb -0.17 -1.76 0.05 0.00 -0.34 0.00 0.00 43.02 40.80 2c3y s PHE 736 CO 0.07 0.42 0.44 0.50 -1.46 0.00 0.00 175.22 175.19 2c3y s ARG 737 N -0.88 0.49 -0.50 10.12 3.52 -0.01 -0.24 118.95 131.45 2c3y s ARG 737 Ca 0.13 0.67 -0.17 0.00 -0.13 0.00 0.00 55.73 56.23 2c3y s ARG 737 Cb -0.11 0.18 0.08 0.00 -1.56 0.00 0.00 34.95 33.54 2c3y s ARG 737 CO 0.02 -0.09 0.50 0.42 -0.81 0.00 0.00 175.30 175.35 2c3y s ILE 738 N 0.54 5.09 -0.25 4.11 -1.09 -1.26 0.41 121.20 128.74 2c3y s ILE 738 Ca -0.02 -0.95 -0.16 0.00 -2.23 0.00 0.00 60.65 57.29 2c3y s ILE 738 Cb -0.04 -4.24 -0.04 0.00 -1.58 0.00 0.00 42.46 36.56 2c3y s ILE 738 CO -0.03 -0.73 0.40 -1.58 -1.23 0.00 0.00 174.94 171.77 2c3y s GLN 739 N 2.01 4.06 -0.13 2.79 2.00 -0.44 -4.84 119.66 125.11 2c3y s GLN 739 Ca 0.08 0.12 -0.24 0.00 -2.00 0.00 0.00 55.36 53.32 2c3y s GLN 739 Cb -0.24 -3.63 -0.03 0.00 0.80 0.00 0.00 33.01 29.92 2c3y s GLN 739 CO 0.08 -0.24 0.74 0.42 -0.50 0.00 0.00 175.29 175.78 2c3y s ILE 740 N 1.96 4.98 -1.02 -2.34 -1.09 -1.26 -0.70 121.20 121.73 2c3y s ILE 740 Ca 0.17 1.47 -0.15 0.00 -2.23 0.00 0.00 60.65 59.91 2c3y s ILE 740 Cb -0.16 -4.06 0.18 0.00 -1.58 0.00 0.00 42.46 36.84 2c3y s ILE 740 CO 0.09 0.14 1.15 0.21 -1.23 0.00 0.00 174.94 175.30 2c3y s ASN 741 N 1.02 6.88 0.51 3.58 3.04 0.11 -4.75 114.94 125.32 2c3y s ASN 741 Ca 0.36 -2.65 0.18 0.00 0.04 0.00 0.00 52.86 50.80 2c3y s ASN 741 Cb -0.17 -2.34 1.29 0.00 -1.54 0.00 0.00 41.25 38.49 2c3y s ASN 741 CO 0.15 -0.78 2.12 0.71 -3.04 0.00 0.00 177.10 176.26 2c3y h THR 742 N 5.01 0.94 0.00 -5.21 1.35 -1.88 -1.51 112.91 111.61 2c3y h THR 742 Ca 0.20 -0.20 -0.10 0.00 -0.55 0.00 0.00 66.41 65.76 2c3y h THR 742 Cb 0.96 1.11 -0.02 0.00 -1.73 0.00 0.00 68.15 68.48 2c3y h THR 742 CO 1.07 0.05 -0.63 -0.07 -0.25 0.00 0.00 175.52 175.69 2c3y h LEU 743 N 0.00 0.00 0.00 3.87 3.38 -1.95 -3.29 115.31 117.32 2c3y h LEU 743 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2c3y h LEU 743 Cb 0.10 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.85 2c3y h LEU 743 CO 0.01 0.44 -1.21 0.47 0.09 0.00 0.00 178.44 178.23 2c3y n ASP 744 N -3.13 0.56 -4.76 -0.43 8.00 -1.09 -0.19 116.55 115.51 2c3y n ASP 744 Ca 0.00 -0.23 -0.39 0.00 0.71 0.00 0.00 54.79 54.89 2c3y n ASP 744 Cb 0.72 1.03 0.02 0.00 -0.02 0.00 0.00 41.12 42.88 2c3y n ASP 744 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2c3y n MET 746 N -0.66 1.35 -1.66 0.00 2.81 -1.26 -4.01 117.12 113.69 2c3y n MET 746 Ca 0.08 -1.52 -0.11 0.00 -1.81 0.00 0.00 57.70 54.34 2c3y n MET 746 Cb 0.45 -1.32 -0.03 0.00 -0.71 0.00 0.00 33.22 31.61 2c3y n MET 746 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2c3y n GLY 747 N 0.92 0.72 0.27 3.03 0.00 -1.25 -4.64 105.19 104.24 2c3y n GLY 747 Ca 0.10 -0.49 -0.09 0.00 0.00 0.00 0.00 46.02 45.53 2c3y n GLY 747 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2c3y n GLY 749 N -0.13 0.68 0.26 0.00 0.00 -1.26 -3.19 105.19 101.54 2c3y n GLY 749 Ca -0.00 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.99 2c3y n GLY 749 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 2c3y h ASN 750 N 0.00 0.60 0.50 1.61 4.21 -1.86 -1.42 115.58 119.22 2c3y h ASN 750 Ca 0.00 0.02 -0.01 0.00 1.21 0.00 0.00 56.30 57.51 2c3y h ASN 750 Cb 0.00 -0.11 -0.02 0.00 -1.12 0.00 0.00 38.32 37.07 2c3y h ASN 750 CO 0.00 0.40 -0.46 0.00 -1.29 0.00 0.00 177.43 176.08 2c3y h ALA 752 N -0.74 1.56 -0.30 0.00 0.00 -1.83 0.13 119.26 118.08 2c3y h ALA 752 Ca -0.06 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.80 2c3y h ALA 752 Cb 0.83 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.36 2c3y h ALA 752 CO -0.04 0.29 0.01 0.22 0.00 0.00 0.00 179.25 179.73 2c3y h ASP 753 N 0.97 0.41 0.69 0.00 3.58 -0.80 -3.12 116.42 118.15 2c3y h ASP 753 Ca 0.39 -0.07 -0.24 0.00 0.42 0.00 0.00 57.03 57.53 2c3y h ASP 753 Cb 0.27 -0.11 -0.04 0.00 1.72 0.00 0.00 39.33 41.17 2c3y h ASP 753 CO -0.15 0.47 -1.44 0.40 -2.88 0.00 0.00 179.24 175.64 2c3y h ILE 754 N 0.43 0.98 -0.34 2.25 5.03 0.49 -3.47 117.51 122.89 2c3y h ILE 754 Ca 0.10 -2.72 -0.77 0.00 -0.12 0.00 0.00 64.86 61.35 2c3y h ILE 754 Cb 0.27 2.45 -0.03 0.00 -3.03 0.00 0.00 36.82 36.48 2c3y h ILE 754 CO 0.01 0.56 1.24 0.00 -0.68 0.00 0.00 178.15 179.28 2c3y h PRO 756 N 8.95 -0.31 -6.40 0.00 0.11 -1.91 -3.45 132.00 128.99 2c3y h PRO 756 Ca -0.18 0.02 -0.63 0.00 0.11 0.00 0.00 66.00 65.32 2c3y h PRO 756 Cb 1.40 0.07 0.06 0.00 0.11 0.00 0.00 31.00 32.64 2c3y h PRO 756 CO 1.06 -0.21 0.57 -0.35 -0.21 0.00 0.00 178.00 178.86 2c3y n PRO 757 N -5.42 1.60 -0.34 1.05 -0.04 -1.26 -4.84 135.00 125.75 2c3y n PRO 757 Ca -0.01 0.58 0.14 0.00 -0.04 0.00 0.00 63.50 64.17 2c3y n PRO 757 Cb 0.35 -2.25 0.35 0.00 -0.04 0.00 0.00 33.50 31.91 2c3y n PRO 757 CO 0.00 0.00 0.00 0.87 -0.04 0.00 0.00 175.50 176.33 2c3y h LYS 758 N 4.84 0.68 -4.44 0.54 1.57 -1.95 -2.72 116.57 115.09 2c3y h LYS 758 Ca -0.46 -0.04 -0.74 0.00 -1.87 0.00 0.00 60.65 57.54 2c3y h LYS 758 Cb 1.30 -0.15 -0.21 0.00 0.08 0.00 0.00 32.23 33.24 2c3y h LYS 758 CO 0.80 0.45 0.76 -1.83 -0.57 0.00 0.00 179.45 179.07 2c3y s GLU 759 N -5.80 3.85 0.02 3.15 1.03 -1.26 -5.00 118.70 114.69 2c3y s GLU 759 Ca -0.11 -2.40 -0.25 0.00 0.03 0.00 0.00 54.97 52.24 2c3y s GLU 759 Cb 0.25 -4.79 -0.13 0.00 -0.80 0.00 0.00 34.13 28.66 2c3y s GLU 759 CO 0.80 -1.58 0.63 1.63 -1.33 0.00 0.00 175.26 175.42 2c3y n LYS 760 N 5.07 0.00 0.00 -4.83 4.76 -1.03 -4.75 118.16 117.39 2c3y n LYS 760 Ca 0.26 0.00 0.13 0.00 -2.87 0.00 0.00 58.31 55.82 2c3y n LYS 760 Cb 0.45 -0.92 0.33 0.00 -1.84 0.00 0.00 35.03 33.05 2c3y n LYS 760 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2c3y n ALA 761 N 0.80 3.26 -3.51 7.82 0.00 -1.26 -4.77 120.51 122.85 2c3y n ALA 761 Ca 0.13 -0.39 -0.21 0.00 0.00 0.00 0.00 53.44 52.97 2c3y n ALA 761 Cb 0.07 -1.12 -0.16 0.00 0.00 0.00 0.00 19.45 18.24 2c3y n ALA 761 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2c3y s LEU 762 N -2.68 1.46 -0.03 0.00 1.43 -1.26 0.11 118.68 117.73 2c3y s LEU 762 Ca 0.20 -0.16 0.00 0.00 -1.03 0.00 0.00 54.13 53.13 2c3y s LEU 762 Cb 0.19 -0.52 0.03 0.00 0.03 0.00 0.00 46.19 45.91 2c3y s LEU 762 CO 0.58 -0.02 0.01 -0.69 0.23 0.00 0.00 176.35 176.47 2c3y s VAL 763 N 0.75 0.10 0.16 -1.59 1.01 -0.68 -4.75 120.40 115.41 2c3y s VAL 763 Ca -0.11 0.14 -0.31 0.00 0.00 0.00 0.00 61.98 61.70 2c3y s VAL 763 Cb -0.14 -0.22 -0.10 0.00 0.00 0.00 0.00 36.38 35.93 2c3y s VAL 763 CO 0.01 0.13 1.50 -0.04 0.00 0.00 0.00 175.10 176.71 2c3y s MET 764 N 1.12 4.25 0.07 2.72 -1.94 -1.26 -0.24 119.30 124.02 2c3y s MET 764 Ca -0.08 2.28 0.01 0.00 -1.71 0.00 0.00 55.69 56.18 2c3y s MET 764 Cb -0.13 -3.17 -0.04 0.00 2.01 0.00 0.00 34.83 33.50 2c3y s MET 764 CO -0.02 -0.53 -0.05 -0.65 -0.01 0.00 0.00 175.02 173.75 2c3y s GLN 765 N 0.91 0.71 0.30 2.03 -1.52 0.11 -4.91 119.66 117.29 2c3y s GLN 765 Ca 0.67 -1.24 -0.30 0.00 -1.95 0.00 0.00 55.36 52.54 2c3y s GLN 765 Cb -0.42 -0.03 -0.11 0.00 -0.22 0.00 0.00 33.01 32.23 2c3y s GLN 765 CO 0.33 -0.05 1.58 -2.14 -0.25 0.00 0.00 175.29 174.75 2c3y s PRO 766 N -3.69 4.12 0.26 2.91 0.02 -1.26 -0.26 135.00 137.10 2c3y s PRO 766 Ca 0.08 2.57 -0.03 0.00 0.02 0.00 0.00 61.00 63.65 2c3y s PRO 766 Cb 0.05 -3.02 0.55 0.00 0.02 0.00 0.00 34.50 32.10 2c3y s PRO 766 CO -0.07 -0.62 1.66 1.25 -0.33 0.00 0.00 177.00 178.90 2c3y h LEU 767 N 4.64 -0.06 -2.40 -5.54 5.85 -1.56 -0.08 115.31 116.16 2c3y h LEU 767 Ca -0.47 0.17 0.00 0.00 0.84 0.00 0.00 57.88 58.42 2c3y h LEU 767 Cb 1.22 0.25 0.00 0.00 0.37 0.00 0.00 40.66 42.50 2c3y h LEU 767 CO 0.78 -0.11 0.00 -2.24 -0.34 0.00 0.00 178.44 176.53 2c3y h ASP 768 N 0.22 0.00 0.57 1.25 3.04 -1.90 -0.67 116.42 118.92 2c3y h ASP 768 Ca 0.47 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 54.26 2c3y h ASP 768 Cb 0.86 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 39.15 2c3y h ASP 768 CO -0.60 0.00 -0.40 0.35 -2.04 0.00 0.00 179.24 176.56 2c3y n THR 769 N -2.91 0.00 -0.04 1.15 -2.24 -0.04 -4.37 114.28 105.83 2c3y n THR 769 Ca -0.02 -0.01 -0.04 0.00 -2.27 0.00 0.00 64.05 61.71 2c3y n THR 769 Cb 0.11 0.12 -0.05 0.00 -2.10 0.00 0.00 70.33 68.41 2c3y n THR 769 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2c3y n GLN 770 N -1.45 2.17 -0.10 -0.78 1.13 -0.36 -4.83 117.38 113.17 2c3y n GLN 770 Ca 0.06 0.01 -0.06 0.00 -1.94 0.00 0.00 57.00 55.07 2c3y n GLN 770 Cb 0.33 -1.17 0.01 0.00 0.11 0.00 0.00 30.24 29.53 2c3y n GLN 770 CO 0.00 0.00 0.00 0.07 -1.44 0.00 0.00 177.06 175.69 2c3y h ARG 771 N 0.00 0.21 -0.69 -1.09 0.11 -1.50 -0.73 114.38 110.69 2c3y h ARG 771 Ca -0.18 -0.01 0.15 0.00 0.10 0.00 0.00 59.98 60.04 2c3y h ARG 771 Cb 1.37 -0.05 -0.11 0.00 1.11 0.00 0.00 29.97 32.29 2c3y h ARG 771 CO -0.00 0.14 0.08 -0.44 0.10 0.00 0.00 179.97 179.85 2c3y h ASP 772 N 0.21 -0.16 0.23 0.08 3.32 -1.87 0.47 116.42 118.71 2c3y h ASP 772 Ca 0.16 0.16 -0.33 0.00 0.02 0.00 0.00 57.03 57.04 2c3y h ASP 772 Cb 0.17 0.25 0.03 0.00 0.22 0.00 0.00 39.33 40.00 2c3y h ASP 772 CO -0.20 -0.09 -1.50 0.00 -1.72 0.00 0.00 179.24 175.73 2c3y h ALA 773 N 1.61 -0.08 0.00 3.45 0.00 -1.85 -3.39 119.26 118.99 2c3y h ALA 773 Ca 0.38 -0.92 -0.11 0.00 0.00 0.00 0.00 54.91 54.26 2c3y h ALA 773 Cb 0.64 0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.66 2c3y h ALA 773 CO -0.54 0.75 -0.60 1.96 0.00 0.00 0.00 179.25 180.81 2c3y h GLN 774 N 0.09 0.00 0.33 0.00 1.08 -0.88 -3.18 115.11 112.55 2c3y h GLN 774 Ca -0.27 0.00 -0.02 0.00 -1.45 0.00 0.00 58.65 56.91 2c3y h GLN 774 Cb 2.11 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 29.54 2c3y h GLN 774 CO 0.24 0.45 -0.16 0.28 -0.95 0.00 0.00 178.83 178.69 2c3y h VAL 775 N 0.00 0.68 -0.31 -0.54 2.07 -1.09 0.14 116.25 117.20 2c3y h VAL 775 Ca -0.02 -0.01 -0.05 0.00 0.82 0.00 0.00 66.70 67.44 2c3y h VAL 775 Cb 1.39 0.69 -0.02 0.00 -1.52 0.00 0.00 31.29 31.83 2c3y h VAL 775 CO 0.06 0.00 -0.02 1.55 0.02 0.00 0.00 177.57 179.18 2c3y h PRO 776 N -0.44 0.48 -0.24 1.57 0.13 -1.76 -2.25 132.00 129.50 2c3y h PRO 776 Ca -0.04 -0.10 -0.02 0.00 -0.87 0.00 0.00 66.00 64.97 2c3y h PRO 776 Cb 0.34 -0.07 -0.01 0.00 0.13 0.00 0.00 31.00 31.39 2c3y h PRO 776 CO 0.07 0.53 0.08 -0.91 -0.23 0.00 0.00 178.00 177.54 2c3y h ASN 777 N 0.46 0.34 -0.58 1.44 -0.26 -1.45 -1.95 115.58 113.58 2c3y h ASN 777 Ca 0.10 -0.19 0.01 0.00 -0.56 0.00 0.00 56.30 55.66 2c3y h ASN 777 Cb 0.33 -0.09 -0.03 0.00 -1.06 0.00 0.00 38.32 37.47 2c3y h ASN 777 CO 0.01 0.44 0.38 0.25 -1.06 0.00 0.00 177.43 177.45 2c3y h LEU 778 N 0.23 0.65 -1.46 1.61 7.12 -0.49 0.18 115.31 123.13 2c3y h LEU 778 Ca 0.08 -0.01 0.01 0.00 0.13 0.00 0.00 57.88 58.08 2c3y h LEU 778 Cb 0.21 -0.15 -0.03 0.00 -0.53 0.00 0.00 40.66 40.16 2c3y h LEU 778 CO -0.00 0.46 0.36 -0.33 -0.13 0.00 0.00 178.44 178.80 2c3y h GLU 779 N 0.77 0.72 0.06 1.25 4.39 -1.23 0.12 114.58 120.65 2c3y h GLU 779 Ca 0.22 -0.04 -0.24 0.00 0.34 0.00 0.00 59.36 59.63 2c3y h GLU 779 Cb -0.06 -0.16 0.00 0.00 -0.10 0.00 0.00 28.75 28.43 2c3y h GLU 779 CO -0.06 0.48 -1.06 -0.92 -1.16 0.00 0.00 179.01 176.29 2c3y h TYR 780 N 0.74 0.51 -0.35 4.33 3.20 -0.55 -3.26 116.97 121.59 2c3y h TYR 780 Ca 0.20 -0.32 -0.08 0.00 3.14 0.00 0.00 58.73 61.67 2c3y h TYR 780 Cb -0.08 -0.04 -0.01 0.00 1.54 0.00 0.00 36.73 38.13 2c3y h TYR 780 CO 0.00 1.18 -0.08 0.00 -1.64 0.00 0.00 178.16 177.62 2c3y h ALA 781 N 0.71 0.48 -0.32 1.82 0.00 0.04 -2.87 119.26 119.12 2c3y h ALA 781 Ca -0.10 -0.30 0.09 0.00 0.00 0.00 0.00 54.91 54.61 2c3y h ALA 781 Cb 1.73 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 19.39 2c3y h ALA 781 CO 0.18 0.33 0.30 0.00 0.00 0.00 0.00 179.25 180.06 2c3y h ALA 782 N 0.82 2.08 -0.01 0.00 0.00 -0.84 0.86 119.26 122.17 2c3y h ALA 782 Ca 0.09 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.99 2c3y h ALA 782 Cb 0.59 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.40 2c3y h ALA 782 CO 0.03 -0.47 -0.10 0.54 0.00 0.00 0.00 179.25 179.26 2c3y n ARG 783 N -3.96 0.95 -3.10 0.00 1.74 -1.08 -4.83 116.66 106.37 2c3y n ARG 783 Ca 0.05 -0.39 -0.40 0.00 -0.77 0.00 0.00 57.85 56.34 2c3y n ARG 783 Cb 0.46 -1.49 -0.05 0.00 -1.02 0.00 0.00 32.46 30.36 2c3y n ARG 783 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 2c3y s ILE 784 N -2.32 5.05 0.19 0.55 1.01 0.30 -5.01 121.20 120.96 2c3y s ILE 784 Ca 0.32 1.29 -0.33 0.00 0.00 0.00 0.00 60.65 61.93 2c3y s ILE 784 Cb 0.20 -3.98 -0.14 0.00 0.01 0.00 0.00 42.46 38.55 2c3y s ILE 784 CO 0.44 0.19 1.43 -2.65 0.00 0.00 0.00 174.94 174.36 2c3y n PRO 785 N 4.34 1.89 -2.56 2.79 -0.02 -1.26 -4.91 135.00 135.27 2c3y n PRO 785 Ca -0.02 0.68 -0.43 0.00 -2.02 0.00 0.00 63.50 61.71 2c3y n PRO 785 Cb 0.51 -2.35 -0.02 0.00 -0.02 0.00 0.00 33.50 31.61 2c3y n PRO 785 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 2c3y s VAL 786 N 0.30 4.51 -1.29 -1.45 1.01 -1.26 -4.85 120.40 117.37 2c3y s VAL 786 Ca 0.74 1.82 -0.18 0.00 0.00 0.00 0.00 61.98 64.36 2c3y s VAL 786 Cb -0.71 -4.17 0.02 0.00 0.00 0.00 0.00 36.38 31.52 2c3y s VAL 786 CO 0.46 -0.13 1.93 0.29 0.00 0.00 0.00 175.10 177.64 2c3y n LYS 787 N 6.22 2.75 0.18 2.72 4.76 -1.26 -4.71 118.16 128.82 2c3y n LYS 787 Ca 0.12 -2.85 0.13 0.00 -2.87 0.00 0.00 58.31 52.85 2c3y n LYS 787 Cb 0.46 -3.42 0.39 0.00 -1.84 0.00 0.00 35.03 30.62 2c3y n LYS 787 CO 0.00 0.00 0.00 0.66 -1.37 0.00 0.00 177.40 176.69 2c3y h SER 788 N 7.40 0.00 -2.12 4.39 4.64 -1.86 -3.34 113.55 122.66 2c3y h SER 788 Ca 0.45 0.00 -0.66 0.00 -0.47 0.00 0.00 61.79 61.11 2c3y h SER 788 Cb 0.79 0.00 -0.37 0.00 -0.31 0.00 0.00 62.40 62.51 2c3y h SER 788 CO 1.60 0.00 -0.09 -0.62 -0.87 0.00 0.00 176.83 176.86 2c3y n GLU 789 N -2.71 3.79 0.00 4.77 4.71 -1.26 -4.58 120.64 125.36 2c3y n GLU 789 Ca 0.04 -4.64 0.00 0.00 -0.01 0.00 0.00 57.16 52.54 2c3y n GLU 789 Cb 0.41 -2.30 0.00 0.00 -1.01 0.00 0.00 31.44 28.54 2c3y n GLU 789 CO 0.00 0.00 0.00 1.55 0.09 0.00 0.00 177.13 178.77 2c3y n VAL 790 N -0.27 0.00 -4.25 2.62 3.14 -1.25 -5.10 118.33 113.21 2c3y n VAL 790 Ca 0.38 0.00 -0.14 0.00 -2.96 0.00 0.00 64.34 61.62 2c3y n VAL 790 Cb 0.39 -0.22 -0.10 0.00 -1.06 0.00 0.00 33.84 32.85 2c3y n VAL 790 CO 0.00 0.00 0.00 -0.76 -6.46 0.00 0.00 176.83 169.61 2c3y s LEU 791 N -2.38 2.48 0.20 6.55 1.43 -1.26 -4.96 118.68 120.74 2c3y s LEU 791 Ca 0.00 -1.04 -0.33 0.00 -1.03 0.00 0.00 54.13 51.73 2c3y s LEU 791 Cb 0.00 -0.30 -0.14 0.00 0.03 0.00 0.00 46.19 45.78 2c3y s LEU 791 CO 0.00 -0.37 1.50 -2.65 0.23 0.00 0.00 176.35 175.06 2c3y n PRO 792 N -0.21 2.11 -0.28 1.29 -0.02 -1.26 -4.87 135.00 131.76 2c3y n PRO 792 Ca -0.10 0.75 -0.02 0.00 -2.02 0.00 0.00 63.50 62.12 2c3y n PRO 792 Cb 0.61 -2.47 0.16 0.00 -0.02 0.00 0.00 33.50 31.78 2c3y n PRO 792 CO 0.00 0.00 0.00 -0.09 1.98 0.00 0.00 175.50 177.39 2c3y h ARG 793 N 5.08 1.13 -0.78 -0.52 2.43 -1.86 -2.63 114.38 117.23 2c3y h ARG 793 Ca -0.45 -0.11 -0.07 0.00 -0.81 0.00 0.00 59.98 58.55 2c3y h ARG 793 Cb 1.26 -0.24 -0.04 0.00 -0.42 0.00 0.00 29.97 30.54 2c3y h ARG 793 CO 0.82 0.80 0.08 -0.40 -1.51 0.00 0.00 179.97 179.77 2c3y n ASP 794 N -4.37 4.01 -4.93 -3.80 3.85 -1.26 -3.02 116.55 107.03 2c3y n ASP 794 Ca 0.09 -2.70 -0.28 0.00 -0.71 0.00 0.00 54.79 51.19 2c3y n ASP 794 Cb 0.07 -0.64 -0.03 0.00 -1.35 0.00 0.00 41.12 39.16 2c3y n ASP 794 CO 0.00 0.00 0.00 -0.94 -1.01 0.00 0.00 177.20 175.25 2c3y s SER 795 N -0.51 6.36 0.08 -1.12 1.04 -0.99 -4.81 113.70 113.75 2c3y s SER 795 Ca 0.36 0.24 -0.25 0.00 0.48 0.00 0.00 55.95 56.78 2c3y s SER 795 Cb 0.28 -1.94 -0.10 0.00 0.10 0.00 0.00 66.02 64.36 2c3y s SER 795 CO 0.10 0.07 1.41 0.25 0.98 0.00 0.00 173.24 176.05 2c3y h LEU 796 N 2.40 -1.25 -0.30 2.42 6.46 -1.90 0.29 115.31 123.43 2c3y h LEU 796 Ca -0.47 0.14 -0.02 0.00 -0.12 0.00 0.00 57.88 57.41 2c3y h LEU 796 Cb 1.18 0.48 -0.01 0.00 -0.73 0.00 0.00 40.66 41.58 2c3y h LEU 796 CO 0.71 -0.38 0.12 0.50 -0.62 0.00 0.00 178.44 178.77 2c3y h LYS 797 N -0.49 0.45 -0.57 1.25 3.64 -1.92 -3.10 116.57 115.84 2c3y h LYS 797 Ca 0.01 -0.08 -0.01 0.00 -1.27 0.00 0.00 60.65 59.30 2c3y h LYS 797 Cb 0.53 -0.07 -0.03 0.00 -0.41 0.00 0.00 32.23 32.25 2c3y h LYS 797 CO -0.28 0.46 0.30 0.78 -2.27 0.00 0.00 179.45 178.44 2c3y h GLY 798 N 0.34 0.83 1.23 5.01 0.00 -1.64 -2.58 103.07 106.27 2c3y h GLY 798 Ca 0.10 -0.36 0.07 0.00 0.00 0.00 0.00 47.33 47.14 2c3y h GLY 798 CO -0.01 0.35 0.34 1.48 0.00 0.00 0.00 176.54 178.71 2c3y h SER 799 N 0.79 0.35 -0.01 0.19 4.64 -0.32 0.61 113.55 119.80 2c3y h SER 799 Ca 0.20 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.52 2c3y h SER 799 Cb 0.04 -0.07 0.00 0.00 -0.31 0.00 0.00 62.40 62.05 2c3y h SER 799 CO -0.03 0.23 0.00 0.00 -0.87 0.00 0.00 176.83 176.15 2c3y n GLN 800 N -4.47 1.13 -0.52 4.77 1.13 -0.97 -2.41 117.38 116.03 2c3y n GLN 800 Ca 0.07 -0.18 0.08 0.00 -1.94 0.00 0.00 57.00 55.03 2c3y n GLN 800 Cb 0.29 -1.42 0.30 0.00 0.11 0.00 0.00 30.24 29.52 2c3y n GLN 800 CO 0.00 0.00 0.00 1.19 -1.44 0.00 0.00 177.06 176.81 2c3y n PHE 801 N -0.70 1.21 -4.23 1.08 0.99 0.21 -4.59 117.46 111.43 2c3y n PHE 801 Ca 0.19 -0.69 -0.25 0.00 -0.00 0.00 0.00 57.45 56.70 2c3y n PHE 801 Cb 0.14 -0.27 -0.07 0.00 -1.00 0.00 0.00 39.48 38.28 2c3y n PHE 801 CO 0.00 0.00 0.00 -0.65 -0.00 0.00 0.00 176.76 176.11 2c3y s GLN 802 N -2.14 2.40 -0.12 -1.08 -1.52 -1.01 -2.57 119.66 113.63 2c3y s GLN 802 Ca 0.44 -1.21 -0.30 0.00 -1.95 0.00 0.00 55.36 52.34 2c3y s GLN 802 Cb 0.31 -2.31 -0.02 0.00 -0.22 0.00 0.00 33.01 30.77 2c3y s GLN 802 CO 0.17 0.42 1.17 -1.21 -0.25 0.00 0.00 175.29 175.59 2c3y s GLU 803 N -3.25 4.31 0.04 2.91 2.02 -1.26 -5.00 118.70 118.47 2c3y s GLU 803 Ca 0.29 1.59 -0.30 0.00 0.02 0.00 0.00 54.97 56.57 2c3y s GLU 803 Cb -0.08 -3.63 -0.04 0.00 0.10 0.00 0.00 34.13 30.48 2c3y s GLU 803 CO 0.19 -0.53 1.01 -1.25 0.02 0.00 0.00 175.26 174.71 2c3y s PRO 804 N 2.69 4.57 -0.29 0.39 0.04 -1.26 -4.39 135.00 136.75 2c3y s PRO 804 Ca 0.53 1.49 0.11 0.00 0.04 0.00 0.00 61.00 63.17 2c3y s PRO 804 Cb -0.22 -3.42 0.72 0.00 0.04 0.00 0.00 34.50 31.63 2c3y s PRO 804 CO 0.17 -0.02 1.74 1.28 0.04 0.00 0.00 177.00 180.21 2c3y n LEU 805 N 3.61 5.68 -3.36 -3.56 4.32 -1.26 -4.76 117.00 117.67 2c3y n LEU 805 Ca 0.06 -3.19 -0.11 0.00 -0.02 0.00 0.00 56.01 52.74 2c3y n LEU 805 Cb 0.50 -0.71 -0.08 0.00 -1.62 0.00 0.00 43.42 41.51 2c3y n LEU 805 CO 0.52 0.80 -0.08 -0.32 -1.22 0.00 0.00 177.39 177.09 2c3y s MET 806 N -2.96 0.34 0.03 3.23 1.75 -1.26 -1.23 119.30 119.19 2c3y s MET 806 Ca 0.53 0.36 0.01 0.00 -1.25 0.00 0.00 55.69 55.34 2c3y s MET 806 Cb 0.42 -0.54 -0.02 0.00 2.84 0.00 0.00 34.83 37.54 2c3y s MET 806 CO 0.12 -0.75 -0.04 -1.21 -0.65 0.00 0.00 175.02 172.49 2c3y s GLU 807 N 2.51 0.36 -1.41 4.11 2.02 -0.62 -4.76 118.70 120.91 2c3y s GLU 807 Ca 0.11 -0.65 -0.06 0.00 0.02 0.00 0.00 54.97 54.39 2c3y s GLU 807 Cb -0.15 0.01 0.04 0.00 0.10 0.00 0.00 34.13 34.14 2c3y s GLU 807 CO -0.20 -0.03 0.84 1.19 0.02 0.00 0.00 175.26 177.09 2c3y n PHE 808 N 1.55 -2.12 -1.71 1.61 0.99 -0.87 -4.46 117.46 112.45 2c3y n PHE 808 Ca -0.24 0.88 -0.29 0.00 -0.00 0.00 0.00 57.45 57.80 2c3y n PHE 808 Cb 0.55 -4.24 0.13 0.00 -1.00 0.00 0.00 39.48 34.92 2c3y n PHE 808 CO 0.00 0.00 0.00 -1.54 -0.00 0.00 0.00 176.76 175.22 2c3y s SER 809 N -3.87 3.66 -0.10 4.37 1.04 -1.26 -4.83 113.70 112.71 2c3y s SER 809 Ca 0.31 0.76 0.03 0.00 0.48 0.00 0.00 55.95 57.54 2c3y s SER 809 Cb -0.16 -1.20 0.25 0.00 0.10 0.00 0.00 66.02 65.01 2c3y s SER 809 CO 0.82 -2.44 1.03 0.61 0.98 0.00 0.00 173.24 174.24 2c3y n GLY 810 N -2.80 2.24 3.77 7.32 0.00 -1.25 -4.92 105.19 109.55 2c3y n GLY 810 Ca 0.09 -0.31 -0.32 0.00 0.00 0.00 0.00 46.02 45.48 2c3y n GLY 810 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2c3y s ALA 811 N -1.41 2.38 0.97 4.61 0.00 -1.26 -2.62 121.76 124.43 2c3y s ALA 811 Ca 0.18 0.36 -0.11 0.00 0.00 0.00 0.00 51.96 52.39 2c3y s ALA 811 Cb 0.14 -3.28 0.18 0.00 0.00 0.00 0.00 23.12 20.16 2c3y s ALA 811 CO 0.05 -1.52 1.11 0.00 0.00 0.00 0.00 175.76 175.40 2c3y s SER 813 N -2.68 6.79 -0.01 0.00 0.01 -1.26 -2.15 113.70 114.40 2c3y s SER 813 Ca 0.67 2.35 0.00 0.00 1.31 0.00 0.00 55.95 60.28 2c3y s SER 813 Cb -0.23 -2.59 0.00 0.00 0.21 0.00 0.00 66.02 63.41 2c3y s SER 813 CO 0.59 -0.68 0.00 0.61 0.41 0.00 0.00 173.24 174.18 2c3y n GLY 814 N 3.54 0.48 3.57 3.44 0.00 -1.26 -4.84 105.19 110.12 2c3y n GLY 814 Ca 0.12 -0.13 -0.48 0.00 0.00 0.00 0.00 46.02 45.52 2c3y n GLY 814 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2c3y n GLY 816 N 1.93 -0.87 0.11 0.00 0.00 -0.92 -4.10 105.19 101.35 2c3y n GLY 816 Ca 0.15 -0.26 -0.23 0.00 0.00 0.00 0.00 46.02 45.68 2c3y n GLY 816 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2c3y n GLU 817 N -0.85 0.60 0.01 1.61 1.02 -1.26 -4.28 120.64 117.49 2c3y n GLU 817 Ca 0.17 0.49 0.12 0.00 -0.02 0.00 0.00 57.16 57.91 2c3y n GLU 817 Cb 0.25 -1.71 0.56 0.00 -0.02 0.00 0.00 31.44 30.51 2c3y n GLU 817 CO 0.00 0.00 0.00 1.79 1.18 0.00 0.00 177.13 180.10 2c3y h THR 818 N -0.80 0.91 -0.81 2.62 1.35 -1.85 -2.73 112.91 111.60 2c3y h THR 818 Ca -0.40 -0.09 -0.04 0.00 -0.55 0.00 0.00 66.41 65.33 2c3y h THR 818 Cb 1.47 0.62 -0.04 0.00 -1.73 0.00 0.00 68.15 68.48 2c3y h THR 818 CO -0.18 0.05 0.36 -0.65 -0.25 0.00 0.00 175.52 174.85 2c3y h PRO 819 N 0.27 1.18 0.04 4.72 0.11 -1.77 -1.52 132.00 135.02 2c3y h PRO 819 Ca 0.20 -0.19 -0.00 0.00 0.11 0.00 0.00 66.00 66.12 2c3y h PRO 819 Cb 0.46 -0.20 0.00 0.00 0.11 0.00 0.00 31.00 31.37 2c3y h PRO 819 CO -0.04 0.93 -0.02 1.88 -0.21 0.00 0.00 178.00 180.54 2c3y h TYR 820 N 1.16 -0.04 -0.56 0.65 -1.99 -1.75 -2.75 116.97 111.69 2c3y h TYR 820 Ca 0.27 -0.00 -0.08 0.00 2.00 0.00 0.00 58.73 60.93 2c3y h TYR 820 Cb 0.16 0.01 -0.02 0.00 2.00 0.00 0.00 36.73 38.88 2c3y h TYR 820 CO 0.02 0.03 0.05 -0.39 -0.00 0.00 0.00 178.16 177.87 2c3y h VAL 821 N -0.11 1.25 -0.41 -2.88 -1.51 -1.49 -2.08 116.25 109.02 2c3y h VAL 821 Ca -0.00 -1.02 0.02 0.00 -1.23 0.00 0.00 66.70 64.47 2c3y h VAL 821 Cb 0.10 0.77 -0.03 0.00 -2.13 0.00 0.00 31.29 30.00 2c3y h VAL 821 CO 0.01 0.37 0.23 -0.09 -1.23 0.00 0.00 177.57 176.86 2c3y h ARG 822 N 0.86 0.46 -0.08 5.19 2.43 -1.21 -2.06 114.38 119.97 2c3y h ARG 822 Ca 0.17 -0.03 -0.11 0.00 -0.81 0.00 0.00 59.98 59.20 2c3y h ARG 822 Cb 0.45 -0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 29.88 2c3y h ARG 822 CO 0.02 0.30 -0.44 -0.39 -1.51 0.00 0.00 179.97 177.95 2c3y h VAL 823 N 0.47 1.32 -0.93 0.20 -1.51 -1.32 -2.60 116.25 111.87 2c3y h VAL 823 Ca 0.17 -1.59 -0.01 0.00 -1.23 0.00 0.00 66.70 64.04 2c3y h VAL 823 Cb 0.03 1.75 -0.04 0.00 -2.13 0.00 0.00 31.29 30.89 2c3y h VAL 823 CO -0.09 0.47 0.54 0.40 -1.23 0.00 0.00 177.57 177.67 2c3y h ILE 824 N 0.16 1.26 0.00 7.19 2.04 -0.83 -1.34 117.51 125.99 2c3y h ILE 824 Ca 0.01 -0.60 -0.06 0.00 1.00 0.00 0.00 64.86 65.21 2c3y h ILE 824 Cb 0.85 -0.04 -0.01 0.00 -0.74 0.00 0.00 36.82 36.88 2c3y h ILE 824 CO 0.07 0.28 -0.30 0.71 0.00 0.00 0.00 178.15 178.90 2c3y h THR 825 N 1.30 1.21 0.00 -0.27 1.35 -1.02 -1.05 112.91 114.43 2c3y h THR 825 Ca 0.33 -1.04 0.00 0.00 -0.55 0.00 0.00 66.41 65.15 2c3y h THR 825 Cb -0.02 1.56 0.00 0.00 -1.73 0.00 0.00 68.15 67.96 2c3y h THR 825 CO -0.06 0.30 0.00 1.56 -0.25 0.00 0.00 175.52 177.07 2c3y h GLN 826 N 0.00 0.00 0.00 4.72 4.20 -0.99 0.27 115.11 123.32 2c3y h GLN 826 Ca -0.00 0.00 -0.37 0.00 0.06 0.00 0.00 58.65 58.34 2c3y h GLN 826 Cb 0.54 0.00 -0.07 0.00 0.30 0.00 0.00 27.48 28.25 2c3y h GLN 826 CO 0.04 0.00 -2.38 1.28 -0.67 0.00 0.00 178.83 177.10 2c3y n LEU 827 N -2.97 1.68 0.00 1.46 4.32 -0.71 -4.78 117.00 116.01 2c3y n LEU 827 Ca 0.00 -0.08 0.00 0.00 -0.02 0.00 0.00 56.01 55.92 2c3y n LEU 827 Cb 0.26 -0.28 0.00 0.00 -1.62 0.00 0.00 43.42 41.78 2c3y n LEU 827 CO 0.25 0.73 0.08 0.49 -1.22 0.00 0.00 177.39 177.72 2c3y n PHE 828 N -3.01 0.00 -0.33 -1.77 3.01 -0.48 -4.92 117.46 109.96 2c3y n PHE 828 Ca -0.39 0.00 0.17 0.00 1.01 0.00 0.00 57.45 58.24 2c3y n PHE 828 Cb 1.04 0.00 0.32 0.00 -0.01 0.00 0.00 39.48 40.83 2c3y n PHE 828 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2c3y n GLY 829 N 0.05 -1.23 0.00 1.37 0.00 0.96 -1.04 105.19 105.29 2c3y n GLY 829 Ca 0.00 0.92 0.06 0.00 0.00 0.00 0.00 46.02 47.01 2c3y n GLY 829 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 2c3y n GLU 830 N -5.40 0.01 -0.70 1.61 0.00 -1.26 -2.45 120.64 112.45 2c3y n GLU 830 Ca 0.25 0.27 0.02 0.00 0.00 0.00 0.00 57.16 57.70 2c3y n GLU 830 Cb 0.81 -1.50 0.03 0.00 0.00 0.00 0.00 31.44 30.78 2c3y n GLU 830 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.13 180.02 2c3y n ARG 831 N -1.49 0.21 -4.05 3.44 1.85 -0.21 -4.27 116.66 112.14 2c3y n ARG 831 Ca 0.03 -1.51 -0.27 0.00 -1.00 0.00 0.00 57.85 55.11 2c3y n ARG 831 Cb 0.15 -0.54 -0.05 0.00 -1.05 0.00 0.00 32.46 30.97 2c3y n ARG 831 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 2c3y s MET 832 N -0.45 3.01 -0.02 2.89 0.23 -1.04 -0.13 119.30 123.79 2c3y s MET 832 Ca 0.13 -0.78 0.03 0.00 -1.03 0.00 0.00 55.69 54.04 2c3y s MET 832 Cb 0.14 -2.72 -0.03 0.00 -1.53 0.00 0.00 34.83 30.68 2c3y s MET 832 CO -0.04 0.51 -0.11 -0.06 -2.03 0.00 0.00 175.02 173.29 2c3y s PHE 833 N -1.69 2.79 -0.17 3.16 0.40 0.08 -1.72 117.98 120.84 2c3y s PHE 833 Ca 0.31 -0.09 0.00 0.00 -0.60 0.00 0.00 56.93 56.55 2c3y s PHE 833 Cb -0.11 -1.62 0.04 0.00 0.51 0.00 0.00 43.02 41.85 2c3y s PHE 833 CO 0.24 0.29 -0.08 0.42 0.70 0.00 0.00 175.22 176.79 2c3y s ILE 834 N -0.86 1.33 -0.43 0.64 1.01 0.14 -0.58 121.20 122.44 2c3y s ILE 834 Ca 0.14 -0.75 -0.14 0.00 0.00 0.00 0.00 60.65 59.90 2c3y s ILE 834 Cb -0.11 -1.44 0.05 0.00 0.01 0.00 0.00 42.46 40.97 2c3y s ILE 834 CO 0.04 0.18 0.33 0.00 0.00 0.00 0.00 174.94 175.48 2c3y s ALA 835 N 1.54 3.47 -0.22 9.38 0.00 -0.06 -0.80 121.76 135.07 2c3y s ALA 835 Ca 0.01 -1.93 -0.07 0.00 0.00 0.00 0.00 51.96 49.96 2c3y s ALA 835 Cb -0.15 -2.91 -0.03 0.00 0.00 0.00 0.00 23.12 20.03 2c3y s ALA 835 CO -0.08 -1.59 0.05 1.21 0.00 0.00 0.00 175.76 175.35 2c3y s ASN 836 N 2.11 5.24 0.58 0.00 3.84 0.58 -1.26 114.94 126.03 2c3y s ASN 836 Ca 0.04 -0.11 -0.18 0.00 0.21 0.00 0.00 52.86 52.83 2c3y s ASN 836 Cb -0.22 -1.92 -0.04 0.00 -0.55 0.00 0.00 41.25 38.52 2c3y s ASN 836 CO 0.07 0.06 1.10 0.00 -2.79 0.00 0.00 177.10 175.55 2c3y s ALA 837 N 1.05 2.66 0.44 1.71 0.00 0.12 -4.11 121.76 123.64 2c3y s ALA 837 Ca 0.04 0.67 -0.24 0.00 0.00 0.00 0.00 51.96 52.42 2c3y s ALA 837 Cb -0.14 -3.32 -0.08 0.00 0.00 0.00 0.00 23.12 19.58 2c3y s ALA 837 CO 0.03 -0.87 1.25 0.99 0.00 0.00 0.00 175.76 177.16 2c3y s THR 838 N -2.04 2.76 -5.00 0.00 2.01 -1.20 -4.15 115.64 108.01 2c3y s THR 838 Ca 0.69 0.62 0.00 0.00 0.31 0.00 0.00 61.69 63.31 2c3y s THR 838 Cb -0.21 -3.34 0.00 0.00 0.01 0.00 0.00 72.50 68.96 2c3y s THR 838 CO 0.31 0.04 0.00 0.61 -0.69 0.00 0.00 174.62 174.90 2c3y n GLY 839 N 0.61 -0.47 0.28 4.40 0.00 -1.26 -4.81 105.19 103.94 2c3y n GLY 839 Ca 0.06 -1.43 0.04 0.00 0.00 0.00 0.00 46.02 44.69 2c3y n GLY 839 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2c3y h SER 841 N 0.56 0.00 0.90 0.00 4.64 -1.92 0.30 113.55 118.04 2c3y h SER 841 Ca 0.41 0.00 -0.09 0.00 -0.47 0.00 0.00 61.79 61.64 2c3y h SER 841 Cb 0.54 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.62 2c3y h SER 841 CO -0.34 0.06 -1.15 0.77 -0.87 0.00 0.00 176.83 175.29 2c3y h SER 842 N 0.00 0.00 0.01 4.97 4.64 -1.25 -2.33 113.55 119.59 2c3y h SER 842 Ca -0.00 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2c3y h SER 842 Cb 0.19 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.28 2c3y h SER 842 CO 0.01 0.31 -0.00 0.40 -0.87 0.00 0.00 176.83 176.67 2c3y h ILE 843 N 0.00 1.49 0.00 0.95 1.08 0.37 -0.81 117.51 120.59 2c3y h ILE 843 Ca -0.08 -2.05 -0.00 0.00 -0.39 0.00 0.00 64.86 62.34 2c3y h ILE 843 Cb 1.31 2.78 -0.00 0.00 -3.07 0.00 0.00 36.82 37.84 2c3y h ILE 843 CO 0.03 0.49 -0.02 4.11 -0.69 0.00 0.00 178.15 182.07 2c3y h TRP 844 N -0.97 0.00 0.03 1.37 5.08 -0.66 -2.91 115.95 117.89 2c3y h TRP 844 Ca -0.00 0.00 -0.22 0.00 1.08 0.00 0.00 58.89 59.75 2c3y h TRP 844 Cb 0.81 0.00 -0.01 0.00 -3.00 0.00 0.00 29.16 26.96 2c3y h TRP 844 CO 0.22 0.02 -0.98 0.78 -1.28 0.00 0.00 178.44 177.20 2c3y h GLY 845 N 3.12 0.18 -5.04 11.11 0.00 -1.45 -3.31 103.07 107.67 2c3y h GLY 845 Ca -0.00 -0.37 -0.24 0.00 0.00 0.00 0.00 47.33 46.72 2c3y h GLY 845 CO 0.00 0.33 -0.56 0.00 0.00 0.00 0.00 176.54 176.31 2c3y n ALA 846 N -2.45 2.14 -2.57 3.60 0.00 -0.31 -4.22 120.51 116.69 2c3y n ALA 846 Ca -0.04 -1.70 -0.43 0.00 0.00 0.00 0.00 53.44 51.27 2c3y n ALA 846 Cb 0.88 -0.94 -0.04 0.00 0.00 0.00 0.00 19.45 19.36 2c3y n ALA 846 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 2c3y s SER 847 N -1.78 6.54 0.38 0.00 0.01 -1.10 -4.93 113.70 112.83 2c3y s SER 847 Ca 0.20 0.24 -0.26 0.00 1.31 0.00 0.00 55.95 57.44 2c3y s SER 847 Cb 0.42 -2.45 -0.12 0.00 0.21 0.00 0.00 66.02 64.08 2c3y s SER 847 CO -0.07 -1.00 1.06 0.00 0.41 0.00 0.00 173.24 173.64 2c3y n ALA 848 N 7.06 0.28 -0.11 1.44 0.00 -1.26 -1.14 120.51 126.79 2c3y n ALA 848 Ca 0.06 0.29 0.10 0.00 0.00 0.00 0.00 53.44 53.89 2c3y n ALA 848 Cb 0.48 -2.10 0.29 0.00 0.00 0.00 0.00 19.45 18.13 2c3y n ALA 848 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 2c3y n PRO 849 N 0.34 2.63 -2.85 0.00 -0.04 -1.26 -5.04 135.00 128.78 2c3y n PRO 849 Ca 0.09 -2.37 -0.42 0.00 -0.04 0.00 0.00 63.50 60.75 2c3y n PRO 849 Cb 0.37 -1.55 -0.04 0.00 -0.04 0.00 0.00 33.50 32.24 2c3y n PRO 849 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2c3y s SER 850 N -0.98 6.65 -0.35 3.54 0.15 -0.29 -4.80 113.70 117.61 2c3y s SER 850 Ca 0.44 0.53 -0.00 0.00 0.70 0.00 0.00 55.95 57.61 2c3y s SER 850 Cb 0.24 -2.44 0.09 0.00 -1.71 0.00 0.00 66.02 62.19 2c3y s SER 850 CO 0.29 -0.81 0.09 -0.04 1.20 0.00 0.00 173.24 173.96 2c3y s MET 851 N 3.35 2.01 0.23 5.44 -1.94 -1.26 -3.70 119.30 123.43 2c3y s MET 851 Ca 0.36 -1.65 0.05 0.00 -1.71 0.00 0.00 55.69 52.74 2c3y s MET 851 Cb -0.12 -3.33 0.24 0.00 2.01 0.00 0.00 34.83 33.62 2c3y s MET 851 CO 0.18 -0.88 1.55 -1.00 -0.01 0.00 0.00 175.02 174.86 2c3y h PRO 852 N 7.91 0.23 -6.85 2.03 0.13 -1.78 -2.45 132.00 131.21 2c3y h PRO 852 Ca -0.13 -0.16 -0.52 0.00 -0.87 0.00 0.00 66.00 64.31 2c3y h PRO 852 Cb 1.04 0.03 0.06 0.00 0.13 0.00 0.00 31.00 32.26 2c3y h PRO 852 CO 0.59 0.77 0.67 0.71 -0.23 0.00 0.00 178.00 180.51 2c3y s TYR 853 N -3.72 3.03 0.25 1.56 1.51 -1.26 -1.59 117.35 117.13 2c3y s TYR 853 Ca -0.04 1.33 0.00 0.00 -1.01 0.00 0.00 57.07 57.36 2c3y s TYR 853 Cb 0.12 -3.72 -0.03 0.00 -0.11 0.00 0.00 41.96 38.22 2c3y s TYR 853 CO 0.80 -2.05 0.22 -1.59 -1.11 0.00 0.00 175.55 171.82 2c3y s LYS 854 N -1.49 1.43 0.38 -0.62 -2.85 -0.37 0.75 119.74 116.97 2c3y s LYS 854 Ca 0.51 -1.72 0.02 0.00 -1.00 0.00 0.00 55.97 53.77 2c3y s LYS 854 Cb -0.40 0.31 -0.02 0.00 -2.06 0.00 0.00 37.83 35.66 2c3y s LYS 854 CO 0.51 -0.51 0.57 0.95 0.10 0.00 0.00 175.35 176.97 2c3y s THR 855 N -3.87 4.49 0.10 3.79 -4.23 -1.26 -4.37 115.64 110.29 2c3y s THR 855 Ca 0.38 -0.61 -0.01 0.00 -1.18 0.00 0.00 61.69 60.27 2c3y s THR 855 Cb 0.05 -3.63 0.02 0.00 1.34 0.00 0.00 72.50 70.28 2c3y s THR 855 CO 0.17 -0.38 0.13 -0.46 -0.54 0.00 0.00 174.62 173.54 2c3y n ASN 856 N -1.85 0.09 0.18 3.99 0.23 0.18 -4.87 115.26 113.22 2c3y n ASN 856 Ca -0.02 -1.10 0.13 0.00 -0.53 0.00 0.00 54.58 53.07 2c3y n ASN 856 Cb 0.57 -0.09 0.64 0.00 -2.08 0.00 0.00 39.78 38.82 2c3y n ASN 856 CO 0.00 0.00 0.00 0.08 -0.93 0.00 0.00 177.26 176.41 2c3y h ARG 857 N 0.00 0.00 -0.28 -3.83 0.11 -2.00 -1.61 114.38 106.77 2c3y h ARG 857 Ca -0.04 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.04 2c3y h ARG 857 Cb 0.14 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.22 2c3y h ARG 857 CO 0.04 0.00 0.00 1.28 0.10 0.00 0.00 179.97 181.39 2c3y n LEU 858 N -2.43 3.06 0.00 0.08 4.32 -1.26 -4.94 117.00 115.84 2c3y n LEU 858 Ca -0.00 -1.26 0.00 0.00 -0.02 0.00 0.00 56.01 54.73 2c3y n LEU 858 Cb 0.13 -0.18 0.00 0.00 -1.62 0.00 0.00 43.42 41.75 2c3y n LEU 858 CO 0.16 0.63 0.00 0.61 -1.22 0.00 0.00 177.39 177.57 2c3y n GLY 859 N 1.42 0.59 3.88 -0.72 0.00 -0.61 -5.04 105.19 104.71 2c3y n GLY 859 Ca 0.18 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.87 2c3y n GLY 859 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2c3y s GLN 860 N -0.16 3.69 -0.01 1.61 -0.21 -1.26 -4.76 119.66 118.56 2c3y s GLN 860 Ca 0.00 0.05 -0.30 0.00 0.02 0.00 0.00 55.36 55.13 2c3y s GLN 860 Cb 0.00 -2.89 0.11 0.00 1.00 0.00 0.00 33.01 31.24 2c3y s GLN 860 CO 0.00 0.49 1.27 0.20 -2.12 0.00 0.00 175.29 175.13 2c3y s GLY 861 N -2.15 -0.36 0.06 3.09 0.00 -1.26 0.50 107.32 107.20 2c3y s GLY 861 Ca 0.38 0.56 -0.32 0.00 0.00 0.00 0.00 44.72 45.34 2c3y s GLY 861 CO 0.21 0.95 1.87 -1.05 0.00 0.00 0.00 173.10 175.07 2c3y n PRO 862 N -0.55 2.64 -2.73 2.90 -0.02 -1.02 -4.67 135.00 131.53 2c3y n PRO 862 Ca -0.07 0.96 -0.42 0.00 -2.02 0.00 0.00 63.50 61.95 2c3y n PRO 862 Cb 0.62 -2.86 -0.04 0.00 -0.02 0.00 0.00 33.50 31.21 2c3y n PRO 862 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2c3y s ALA 863 N 3.33 3.03 -0.12 3.55 0.00 -0.70 -4.92 121.76 125.93 2c3y s ALA 863 Ca 0.86 -1.34 -0.06 0.00 0.00 0.00 0.00 51.96 51.42 2c3y s ALA 863 Cb -0.53 -3.93 -0.04 0.00 0.00 0.00 0.00 23.12 18.62 2c3y s ALA 863 CO 0.42 -2.73 0.09 -0.46 0.00 0.00 0.00 175.76 173.08 2c3y s TRP 864 N 4.55 3.42 -0.14 0.00 -0.00 -1.26 0.26 118.94 125.77 2c3y s TRP 864 Ca 0.32 0.37 -0.15 0.00 -0.00 0.00 0.00 56.10 56.63 2c3y s TRP 864 Cb -0.12 -1.93 0.04 0.00 -0.00 0.00 0.00 33.47 31.47 2c3y s TRP 864 CO 0.17 0.56 0.42 0.20 -0.00 0.00 0.00 176.95 178.31 2c3y s GLY 865 N -0.73 -0.31 -0.23 5.86 0.00 0.02 -4.96 107.32 106.97 2c3y s GLY 865 Ca 0.13 1.10 0.02 0.00 0.00 0.00 0.00 44.72 45.96 2c3y s GLY 865 CO 0.03 0.92 -0.14 0.21 0.00 0.00 0.00 173.10 174.11 2c3y s ASN 866 N -0.03 3.92 0.00 1.64 2.47 -1.26 -0.30 114.94 121.37 2c3y s ASN 866 Ca -0.02 -1.08 0.00 0.00 0.42 0.00 0.00 52.86 52.18 2c3y s ASN 866 Cb -0.03 -1.53 0.00 0.00 -1.45 0.00 0.00 41.25 38.24 2c3y s ASN 866 CO 0.01 -0.11 0.00 -0.24 -3.72 0.00 0.00 177.10 173.04 2c3y n SER 867 N 4.52 0.00 -2.88 -4.21 2.88 -1.26 -5.02 113.62 107.65 2c3y n SER 867 Ca -0.17 0.00 -0.16 0.00 -1.33 0.00 0.00 58.87 57.21 2c3y n SER 867 Cb 0.45 0.00 -0.05 0.00 -0.75 0.00 0.00 64.21 63.86 2c3y n SER 867 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 2c3y n LEU 868 N -0.40 0.00 0.03 2.46 4.77 -1.26 -4.99 117.00 117.60 2c3y n LEU 868 Ca 0.00 -2.18 -0.19 0.00 -0.03 0.00 0.00 56.01 53.61 2c3y n LEU 868 Cb 0.00 0.92 -0.13 0.00 -2.33 0.00 0.00 43.42 41.87 2c3y n LEU 868 CO 0.00 -0.35 0.13 0.15 -1.33 0.00 0.00 177.39 175.99 2c3y h PHE 869 N 1.59 0.54 0.00 -1.77 3.57 -1.92 -3.19 116.94 115.76 2c3y h PHE 869 Ca -0.20 -0.36 0.00 0.00 3.53 0.00 0.00 57.97 60.95 2c3y h PHE 869 Cb 0.84 -0.04 0.00 0.00 2.79 0.00 0.00 35.95 39.54 2c3y h PHE 869 CO 0.00 1.24 0.00 -0.85 -2.23 0.00 0.00 178.31 176.47 2c3y n GLU 870 N -4.18 0.07 -0.08 1.11 0.00 -1.26 -4.23 120.64 112.07 2c3y n GLU 870 Ca -0.13 0.01 0.08 0.00 0.00 0.00 0.00 57.16 57.12 2c3y n GLU 870 Cb 0.76 -1.50 0.12 0.00 0.00 0.00 0.00 31.44 30.82 2c3y n GLU 870 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.13 176.73 2c3y n ASP 871 N -1.47 2.38 -0.18 -1.84 3.85 -1.26 -4.49 116.55 113.56 2c3y n ASP 871 Ca 0.08 -2.83 -0.01 0.00 -0.71 0.00 0.00 54.79 51.32 2c3y n ASP 871 Cb 0.32 -0.34 0.07 0.00 -1.35 0.00 0.00 41.12 39.81 2c3y n ASP 871 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 2c3y h ALA 872 N 0.15 0.48 -0.12 2.12 0.00 -1.73 0.14 119.26 120.29 2c3y h ALA 872 Ca 0.00 0.18 -0.00 0.00 0.00 0.00 0.00 54.91 55.09 2c3y h ALA 872 Cb 0.92 0.33 -0.01 0.00 0.00 0.00 0.00 17.79 19.03 2c3y h ALA 872 CO 0.01 -0.41 0.07 0.00 0.00 0.00 0.00 179.25 178.93 2c3y h ALA 873 N 1.52 0.16 -0.55 0.00 0.00 -1.88 -1.05 119.26 117.45 2c3y h ALA 873 Ca 0.28 -0.04 -0.05 0.00 0.00 0.00 0.00 54.91 55.10 2c3y h ALA 873 Cb 0.44 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.15 2c3y h ALA 873 CO -0.50 -0.32 0.16 0.93 0.00 0.00 0.00 179.25 179.51 2c3y h GLU 874 N 0.12 0.83 -0.22 0.00 3.07 -1.67 0.71 114.58 117.42 2c3y h GLU 874 Ca 0.04 -0.16 -0.00 0.00 -0.50 0.00 0.00 59.36 58.74 2c3y h GLU 874 Cb 0.04 -0.13 -0.01 0.00 -0.84 0.00 0.00 28.75 27.81 2c3y h GLU 874 CO -0.01 0.73 0.13 -0.92 -1.40 0.00 0.00 179.01 177.54 2c3y h TYR 875 N 0.81 0.30 -0.62 4.33 3.20 -0.45 -0.45 116.97 124.07 2c3y h TYR 875 Ca 0.18 -0.00 -0.07 0.00 3.14 0.00 0.00 58.73 61.97 2c3y h TYR 875 Cb 0.26 -0.10 -0.03 0.00 1.54 0.00 0.00 36.73 38.41 2c3y h TYR 875 CO 0.02 0.24 0.10 0.78 -1.64 0.00 0.00 178.16 177.65 2c3y h GLY 876 N 0.27 1.10 0.72 1.82 0.00 -0.74 -2.58 103.07 103.65 2c3y h GLY 876 Ca 0.08 -0.72 0.07 0.00 0.00 0.00 0.00 47.33 46.76 2c3y h GLY 876 CO -0.01 0.67 0.61 -2.75 0.00 0.00 0.00 176.54 175.05 2c3y h PHE 877 N 0.96 1.13 -0.37 5.60 3.57 -0.31 -0.28 116.94 127.25 2c3y h PHE 877 Ca 0.19 0.03 -0.08 0.00 3.53 0.00 0.00 57.97 61.64 2c3y h PHE 877 Cb 0.42 -0.37 -0.02 0.00 2.79 0.00 0.00 35.95 38.78 2c3y h PHE 877 CO 0.03 0.57 -0.11 0.78 -2.23 0.00 0.00 178.31 177.35 2c3y h GLY 878 N 1.10 0.69 1.05 2.40 0.00 -0.72 0.11 103.07 107.70 2c3y h GLY 878 Ca 0.42 -0.50 -0.06 0.00 0.00 0.00 0.00 47.33 47.19 2c3y h GLY 878 CO -0.18 0.46 0.25 -0.33 0.00 0.00 0.00 176.54 176.73 2c3y h MET 879 N 0.58 1.14 -0.63 4.80 2.86 -0.90 -0.65 114.93 122.14 2c3y h MET 879 Ca 0.10 -0.24 -0.06 0.00 -2.06 0.00 0.00 59.70 57.45 2c3y h MET 879 Cb 0.54 -0.17 -0.03 0.00 0.06 0.00 0.00 31.60 32.00 2c3y h MET 879 CO 0.03 0.97 0.17 -0.97 1.06 0.00 0.00 176.91 178.17 2c3y h ASN 880 N 1.09 0.94 -0.46 1.22 -0.73 -0.37 -2.21 115.58 115.07 2c3y h ASN 880 Ca 0.24 -0.22 -0.02 0.00 1.87 0.00 0.00 56.30 58.17 2c3y h ASN 880 Cb 0.29 -0.25 -0.02 0.00 0.27 0.00 0.00 38.32 38.61 2c3y h ASN 880 CO -0.01 0.91 0.21 0.24 -0.37 0.00 0.00 177.43 178.41 2c3y h MET 881 N 0.91 0.66 -0.52 6.67 2.86 -0.32 -0.70 114.93 124.49 2c3y h MET 881 Ca 0.20 -0.11 0.01 0.00 -2.06 0.00 0.00 59.70 57.75 2c3y h MET 881 Cb 0.33 -0.12 -0.03 0.00 0.06 0.00 0.00 31.60 31.84 2c3y h MET 881 CO -0.00 0.58 0.33 1.03 1.06 0.00 0.00 176.91 179.91 2c3y h SER 882 N 0.59 0.56 -0.76 1.22 0.87 -0.97 -0.40 113.55 114.67 2c3y h SER 882 Ca 0.15 -0.01 -0.05 0.00 -1.23 0.00 0.00 61.79 60.65 2c3y h SER 882 Cb 0.14 -0.13 -0.03 0.00 -0.44 0.00 0.00 62.40 61.94 2c3y h SER 882 CO -0.02 0.40 0.26 0.24 -0.53 0.00 0.00 176.83 177.19 2c3y h MET 883 N 0.67 1.16 0.07 2.24 2.86 -1.16 0.19 114.93 120.96 2c3y h MET 883 Ca 0.20 -0.24 -0.00 0.00 -2.06 0.00 0.00 59.70 57.60 2c3y h MET 883 Cb -0.04 -0.18 0.00 0.00 0.06 0.00 0.00 31.60 31.44 2c3y h MET 883 CO -0.06 0.97 -0.03 0.35 1.06 0.00 0.00 176.91 179.19 2c3y h PHE 884 N 1.12 -0.09 -0.06 -0.22 3.57 -0.60 0.17 116.94 120.83 2c3y h PHE 884 Ca 0.25 -0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.74 2c3y h PHE 884 Cb 0.27 0.03 -0.00 0.00 2.79 0.00 0.00 35.95 39.04 2c3y h PHE 884 CO 0.02 0.01 0.03 0.00 -2.23 0.00 0.00 178.31 176.15 2c3y h ALA 885 N 0.75 0.08 -0.23 2.41 0.00 -0.85 -0.34 119.26 121.07 2c3y h ALA 885 Ca -0.01 -0.04 -0.14 0.00 0.00 0.00 0.00 54.91 54.72 2c3y h ALA 885 Cb 0.14 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 2c3y h ALA 885 CO 0.02 -0.39 -0.44 0.00 0.00 0.00 0.00 179.25 178.44 2c3y h ARG 886 N 0.01 0.58 0.00 0.00 3.08 -0.58 -1.35 114.38 116.12 2c3y h ARG 886 Ca 0.02 -0.31 -0.03 0.00 0.07 0.00 0.00 59.98 59.73 2c3y h ARG 886 Cb 0.07 0.01 -0.00 0.00 0.08 0.00 0.00 29.97 30.13 2c3y h ARG 886 CO -0.00 0.91 -0.13 0.00 -1.07 0.00 0.00 179.97 179.67 2c3y h ARG 887 N 0.47 0.00 -0.02 0.04 3.08 -0.62 -1.65 114.38 115.67 2c3y h ARG 887 Ca 0.03 0.00 -0.22 0.00 0.07 0.00 0.00 59.98 59.86 2c3y h ARG 887 Cb 0.96 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.01 2c3y h ARG 887 CO 0.09 0.13 -0.89 1.15 -1.07 0.00 0.00 179.97 179.37 2c3y h THR 888 N 0.00 1.38 -0.17 2.04 2.02 -0.84 -1.23 112.91 116.12 2c3y h THR 888 Ca -0.00 -2.35 -0.01 0.00 0.77 0.00 0.00 66.41 64.83 2c3y h THR 888 Cb 1.01 2.33 -0.01 0.00 -1.74 0.00 0.00 68.15 69.74 2c3y h THR 888 CO 0.02 0.71 0.08 -0.74 0.37 0.00 0.00 175.52 175.96 2c3y h HIS 889 N 0.27 0.24 -0.36 3.16 -0.00 -0.98 -0.63 115.15 116.84 2c3y h HIS 889 Ca -0.07 -0.01 0.03 0.00 -0.00 0.00 0.00 60.37 60.32 2c3y h HIS 889 Cb 1.52 -0.07 -0.03 0.00 -0.00 0.00 0.00 27.41 28.82 2c3y h HIS 889 CO 0.06 0.26 0.17 1.25 -0.00 0.00 0.00 177.93 179.67 2c3y h LEU 890 N 0.15 0.23 -1.06 0.26 5.85 -1.24 -1.34 115.31 118.17 2c3y h LEU 890 Ca 0.06 0.02 0.02 0.00 0.84 0.00 0.00 57.88 58.83 2c3y h LEU 890 Cb 0.11 -0.02 -0.05 0.00 0.37 0.00 0.00 40.66 41.07 2c3y h LEU 890 CO -0.01 0.17 0.64 0.00 -0.34 0.00 0.00 178.44 178.90 2c3y h ALA 891 N 1.20 1.35 -0.75 1.25 0.00 -0.95 0.63 119.26 121.99 2c3y h ALA 891 Ca 0.16 -0.06 -0.04 0.00 0.00 0.00 0.00 54.91 54.97 2c3y h ALA 891 Cb 0.08 -0.37 -0.03 0.00 0.00 0.00 0.00 17.79 17.47 2c3y h ALA 891 CO -0.12 0.58 0.30 -0.44 0.00 0.00 0.00 179.25 179.56 2c3y h ASP 892 N 1.26 1.04 0.11 0.00 5.19 -0.46 0.15 116.42 123.70 2c3y h ASP 892 Ca 0.37 -0.16 -0.14 0.00 -0.62 0.00 0.00 57.03 56.49 2c3y h ASP 892 Cb -0.07 -0.27 -0.01 0.00 0.18 0.00 0.00 39.33 39.16 2c3y h ASP 892 CO -0.10 0.92 -0.48 -0.07 -3.12 0.00 0.00 179.24 176.40 2c3y h LEU 893 N 1.10 0.47 -0.61 1.55 4.07 -0.30 -1.75 115.31 119.83 2c3y h LEU 893 Ca 0.25 -0.23 -0.12 0.00 0.08 0.00 0.00 57.88 57.86 2c3y h LEU 893 Cb 0.21 -0.13 -0.01 0.00 1.08 0.00 0.00 40.66 41.81 2c3y h LEU 893 CO -0.02 0.87 -0.22 0.00 -1.08 0.00 0.00 178.44 177.99 2c3y h ALA 894 N 1.14 0.80 -0.65 1.53 0.00 -0.35 0.09 119.26 121.82 2c3y h ALA 894 Ca 0.02 -0.38 -0.07 0.00 0.00 0.00 0.00 54.91 54.47 2c3y h ALA 894 Cb 0.97 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.57 2c3y h ALA 894 CO 0.08 0.65 0.12 0.00 0.00 0.00 0.00 179.25 180.10 2c3y h ALA 895 N 0.99 0.86 -0.56 0.00 0.00 -0.80 -1.83 119.26 117.92 2c3y h ALA 895 Ca 0.10 -0.26 -0.05 0.00 0.00 0.00 0.00 54.91 54.70 2c3y h ALA 895 Cb 0.76 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.28 2c3y h ALA 895 CO 0.06 0.61 0.15 0.87 0.00 0.00 0.00 179.25 180.95 2c3y h LYS 896 N 0.98 0.89 -0.42 0.00 1.57 -1.03 -2.74 116.57 115.83 2c3y h LYS 896 Ca 0.20 -0.21 -0.01 0.00 -1.87 0.00 0.00 60.65 58.76 2c3y h LYS 896 Cb 0.42 -0.12 -0.02 0.00 0.08 0.00 0.00 32.23 32.59 2c3y h LYS 896 CO 0.01 0.82 0.22 0.00 -0.57 0.00 0.00 179.45 179.94 2c3y h ALA 897 N 1.03 1.61 0.00 3.86 0.00 -0.64 -0.81 119.26 124.31 2c3y h ALA 897 Ca 0.18 -0.07 -0.03 0.00 0.00 0.00 0.00 54.91 54.98 2c3y h ALA 897 Cb 0.32 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 17.93 2c3y h ALA 897 CO -0.00 0.33 -0.16 -0.07 0.00 0.00 0.00 179.25 179.35 2c3y h LEU 898 N 0.58 0.00 -4.09 0.00 3.38 -1.02 -2.61 115.31 111.55 2c3y h LEU 898 Ca 0.15 0.00 -0.65 0.00 0.09 0.00 0.00 57.88 57.47 2c3y h LEU 898 Cb 0.02 0.00 -0.27 0.00 0.09 0.00 0.00 40.66 40.51 2c3y h LEU 898 CO -0.02 0.16 0.85 -0.62 0.09 0.00 0.00 178.44 178.90 2c3y n GLU 899 N -3.73 2.60 -2.75 1.13 1.02 -0.31 -4.93 120.64 113.67 2c3y n GLU 899 Ca -0.02 -3.12 -0.07 0.00 -0.02 0.00 0.00 57.16 53.93 2c3y n GLU 899 Cb 0.27 -2.22 -0.03 0.00 -0.02 0.00 0.00 31.44 29.45 2c3y n GLU 899 CO 0.00 0.00 0.00 -1.13 1.18 0.00 0.00 177.13 177.18 2c3y n SER 900 N -0.70 -0.26 -1.39 1.62 3.41 -0.98 -5.04 113.62 110.28 2c3y n SER 900 Ca 0.58 -1.75 -0.05 0.00 -0.26 0.00 0.00 58.87 57.39 2c3y n SER 900 Cb 0.59 0.59 0.12 0.00 -0.26 0.00 0.00 64.21 65.26 2c3y n SER 900 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 2c3y n ASP 901 N -2.52 3.28 -4.74 4.04 3.85 -1.26 -4.94 116.55 114.26 2c3y n ASP 901 Ca 0.03 -2.61 -0.37 0.00 -0.71 0.00 0.00 54.79 51.13 2c3y n ASP 901 Cb 0.21 -0.63 0.06 0.00 -1.35 0.00 0.00 41.12 39.41 2c3y n ASP 901 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 2c3y s ALA 902 N -1.63 2.42 0.93 2.12 0.00 -1.26 -4.94 121.76 119.41 2c3y s ALA 902 Ca 0.26 1.19 -0.11 0.00 0.00 0.00 0.00 51.96 53.30 2c3y s ALA 902 Cb 0.21 -3.54 0.11 0.00 0.00 0.00 0.00 23.12 19.90 2c3y s ALA 902 CO 0.06 -1.52 0.90 -1.13 0.00 0.00 0.00 175.76 174.07 2c3y n SER 903 N -1.82 -0.48 -0.24 0.00 3.41 -1.26 -4.73 113.62 108.49 2c3y n SER 903 Ca 0.15 0.38 -0.04 0.00 -0.26 0.00 0.00 58.87 59.10 2c3y n SER 903 Cb 0.48 -1.39 0.12 0.00 -0.26 0.00 0.00 64.21 63.17 2c3y n SER 903 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 2c3y h GLY 904 N -1.81 1.14 0.94 5.00 0.00 -1.99 -1.35 103.07 105.00 2c3y h GLY 904 Ca -0.43 -0.62 -0.01 0.00 0.00 0.00 0.00 47.33 46.27 2c3y h GLY 904 CO 0.39 0.58 0.16 -0.55 0.00 0.00 0.00 176.54 177.12 2c3y h ASP 905 N 1.04 0.43 -0.08 0.19 3.45 -1.99 -0.09 116.42 119.36 2c3y h ASP 905 Ca 0.24 -0.12 0.01 0.00 0.43 0.00 0.00 57.03 57.59 2c3y h ASP 905 Cb 0.21 -0.11 -0.01 0.00 -0.56 0.00 0.00 39.33 38.86 2c3y h ASP 905 CO -0.02 0.43 0.02 0.58 -1.57 0.00 0.00 179.24 178.68 2c3y h VAL 906 N 0.39 0.97 -0.64 -1.35 2.07 -1.84 -1.19 116.25 114.66 2c3y h VAL 906 Ca 0.11 -0.02 0.04 0.00 0.82 0.00 0.00 66.70 67.66 2c3y h VAL 906 Cb 0.12 0.91 -0.04 0.00 -1.52 0.00 0.00 31.29 30.76 2c3y h VAL 906 CO -0.01 0.01 0.42 0.11 0.02 0.00 0.00 177.57 178.12 2c3y h LYS 907 N 0.06 0.69 -0.12 1.57 1.57 -1.04 0.17 116.57 119.46 2c3y h LYS 907 Ca 0.04 -0.04 -0.01 0.00 -1.87 0.00 0.00 60.65 58.76 2c3y h LYS 907 Cb 0.03 -0.16 -0.00 0.00 0.08 0.00 0.00 32.23 32.17 2c3y h LYS 907 CO -0.05 0.46 0.02 0.93 -0.57 0.00 0.00 179.45 180.25 2c3y h GLU 908 N 0.71 0.20 -0.34 3.15 5.08 -0.34 -0.82 114.58 122.23 2c3y h GLU 908 Ca 0.26 -0.05 -0.02 0.00 -1.00 0.00 0.00 59.36 58.55 2c3y h GLU 908 Cb 0.15 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.36 2c3y h GLU 908 CO -0.08 0.39 0.12 0.00 -1.00 0.00 0.00 179.01 178.44 2c3y h ALA 909 N 0.81 0.44 -0.80 3.43 0.00 -0.54 -0.55 119.26 122.05 2c3y h ALA 909 Ca 0.04 -0.14 0.06 0.00 0.00 0.00 0.00 54.91 54.87 2c3y h ALA 909 Cb 0.28 -0.13 -0.06 0.00 0.00 0.00 0.00 17.79 17.88 2c3y h ALA 909 CO 0.00 0.06 0.48 -0.07 0.00 0.00 0.00 179.25 179.72 2c3y h LEU 910 N 0.40 0.74 -0.73 0.00 4.07 -0.61 0.29 115.31 119.47 2c3y h LEU 910 Ca 0.11 0.02 -0.13 0.00 0.08 0.00 0.00 57.88 57.96 2c3y h LEU 910 Cb 0.22 -0.13 -0.01 0.00 1.08 0.00 0.00 40.66 41.82 2c3y h LEU 910 CO -0.01 0.47 -0.47 -0.61 -1.08 0.00 0.00 178.44 176.74 2c3y h GLN 911 N 0.87 0.39 -0.37 1.13 5.75 -0.89 -0.75 115.11 121.24 2c3y h GLN 911 Ca 0.36 -0.21 -0.09 0.00 -0.15 0.00 0.00 58.65 58.55 2c3y h GLN 911 Cb 0.20 0.01 -0.01 0.00 1.07 0.00 0.00 27.48 28.75 2c3y h GLN 911 CO -0.18 0.78 -0.12 0.78 -2.65 0.00 0.00 178.83 177.43 2c3y h GLY 912 N 1.20 0.80 0.91 2.39 0.00 0.27 -2.04 103.07 106.60 2c3y h GLY 912 Ca 0.02 -0.68 -0.06 0.00 0.00 0.00 0.00 47.33 46.60 2c3y h GLY 912 CO 0.08 0.62 -0.03 -0.25 0.00 0.00 0.00 176.54 176.97 2c3y h TRP 913 N 0.53 0.68 -0.55 5.60 7.01 -0.35 -2.48 115.95 126.38 2c3y h TRP 913 Ca 0.09 -0.13 0.07 0.00 2.11 0.00 0.00 58.89 61.04 2c3y h TRP 913 Cb 0.65 -0.17 -0.06 0.00 -2.10 0.00 0.00 29.16 27.48 2c3y h TRP 913 CO 0.05 0.75 0.22 -0.07 -2.79 0.00 0.00 178.44 176.60 2c3y h LEU 914 N 0.41 0.25 -1.15 0.65 4.07 -1.07 0.65 115.31 119.12 2c3y h LEU 914 Ca 0.09 0.06 -0.05 0.00 0.08 0.00 0.00 57.88 58.06 2c3y h LEU 914 Cb 0.49 0.03 -0.01 0.00 1.08 0.00 0.00 40.66 42.26 2c3y h LEU 914 CO 0.02 0.16 -0.23 0.00 -1.08 0.00 0.00 178.44 177.31 2c3y h ALA 915 N 1.36 1.03 0.00 1.53 0.00 -1.26 -3.24 119.26 118.68 2c3y h ALA 915 Ca 0.27 -0.21 -0.00 0.00 0.00 0.00 0.00 54.91 54.96 2c3y h ALA 915 Cb 0.28 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.03 2c3y h ALA 915 CO -0.25 0.29 -0.08 0.41 0.00 0.00 0.00 179.25 179.62 2c3y n GLY 916 N 0.10 4.35 0.49 0.00 0.00 -0.79 -4.82 105.19 104.52 2c3y n GLY 916 Ca -0.00 -1.01 0.31 0.00 0.00 0.00 0.00 46.02 45.32 2c3y n GLY 916 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 2c3y h LYS 917 N 0.04 0.09 -0.53 1.61 2.10 0.25 0.14 116.57 120.26 2c3y h LYS 917 Ca -0.00 -0.01 0.00 0.00 -2.00 0.00 0.00 60.65 58.64 2c3y h LYS 917 Cb 1.05 -0.02 0.00 0.00 -0.90 0.00 0.00 32.23 32.36 2c3y h LYS 917 CO 0.00 0.06 0.00 0.09 -2.00 0.00 0.00 179.45 177.60 2c3y n ASN 918 N -4.30 3.54 -4.52 7.07 5.03 -1.26 -4.16 115.26 116.65 2c3y n ASN 918 Ca 0.24 -1.97 -0.36 0.00 0.87 0.00 0.00 54.58 53.35 2c3y n ASN 918 Cb 1.10 -0.35 -0.12 0.00 -1.02 0.00 0.00 39.78 39.39 2c3y n ASN 918 CO 0.00 0.00 0.00 -0.62 -1.83 0.00 0.00 177.26 174.81 2c3y s ASP 919 N -1.13 5.44 0.44 6.41 3.68 0.47 -4.95 116.67 127.04 2c3y s ASP 919 Ca 0.39 -0.10 0.15 0.00 2.13 0.00 0.00 52.55 55.12 2c3y s ASP 919 Cb 0.21 -1.98 1.06 0.00 -1.45 0.00 0.00 42.92 40.76 2c3y s ASP 919 CO 0.29 0.01 1.98 -0.65 0.13 0.00 0.00 175.17 176.92 2c3y h PRO 920 N 7.94 0.37 0.03 4.34 0.11 -1.86 -0.42 132.00 142.50 2c3y h PRO 920 Ca -0.37 -0.02 -0.04 0.00 0.11 0.00 0.00 66.00 65.68 2c3y h PRO 920 Cb 1.18 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.21 2c3y h PRO 920 CO 0.60 0.24 -0.16 0.82 -0.21 0.00 0.00 178.00 179.29 2c3y h ILE 921 N 0.38 1.74 -0.19 4.15 2.04 -1.94 -3.21 117.51 120.48 2c3y h ILE 921 Ca 0.27 -2.37 -0.16 0.00 1.00 0.00 0.00 64.86 63.60 2c3y h ILE 921 Cb 0.57 3.35 0.00 0.00 -0.74 0.00 0.00 36.82 40.00 2c3y h ILE 921 CO -0.07 0.63 -0.51 0.11 0.00 0.00 0.00 178.15 178.30 2c3y h LYS 922 N -0.87 0.68 -0.82 2.37 1.79 -1.79 -1.34 116.57 116.59 2c3y h LYS 922 Ca -0.03 -0.48 0.03 0.00 -2.18 0.00 0.00 60.65 57.99 2c3y h LYS 922 Cb 1.12 0.08 -0.05 0.00 -1.58 0.00 0.00 32.23 31.80 2c3y h LYS 922 CO 0.03 1.10 0.54 0.66 -1.08 0.00 0.00 179.45 180.70 2c3y h SER 923 N 0.37 0.89 -0.05 0.86 4.64 -0.78 -0.80 113.55 118.68 2c3y h SER 923 Ca -0.01 -0.01 -0.21 0.00 -0.47 0.00 0.00 61.79 61.09 2c3y h SER 923 Cb 1.13 -0.21 0.01 0.00 -0.31 0.00 0.00 62.40 63.01 2c3y h SER 923 CO 0.11 0.62 -0.74 0.50 -0.87 0.00 0.00 176.83 176.45 2c3y h LYS 924 N 1.04 0.70 0.44 4.77 3.64 -1.54 0.19 116.57 125.81 2c3y h LYS 924 Ca 0.32 -0.55 -0.02 0.00 -1.27 0.00 0.00 60.65 59.13 2c3y h LYS 924 Cb -0.00 0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 31.92 2c3y h LYS 924 CO -0.09 1.17 -0.27 1.49 -2.27 0.00 0.00 179.45 179.48 2c3y h GLU 925 N 0.48 -0.66 -0.00 1.90 4.81 -0.25 -0.07 114.58 120.80 2c3y h GLU 925 Ca -0.04 0.04 -0.16 0.00 -0.13 0.00 0.00 59.36 59.07 2c3y h GLU 925 Cb 1.35 0.15 -0.02 0.00 0.63 0.00 0.00 28.75 30.86 2c3y h GLU 925 CO 0.15 -0.44 -0.77 1.88 -0.73 0.00 0.00 179.01 179.10 2c3y h TYR 926 N -0.68 0.01 -0.66 0.92 -1.99 -1.27 -2.94 116.97 110.35 2c3y h TYR 926 Ca -0.05 -0.00 -0.03 0.00 2.00 0.00 0.00 58.73 60.65 2c3y h TYR 926 Cb 0.56 -0.00 -0.03 0.00 2.00 0.00 0.00 36.73 39.26 2c3y h TYR 926 CO -0.10 0.78 0.31 0.78 -0.00 0.00 0.00 178.16 179.93 2c3y h GLY 927 N 2.31 1.03 1.76 3.88 0.00 -0.80 0.79 103.07 112.04 2c3y h GLY 927 Ca -0.01 -0.51 -0.08 0.00 0.00 0.00 0.00 47.33 46.73 2c3y h GLY 927 CO 0.10 0.49 -0.26 -0.55 0.00 0.00 0.00 176.54 176.32 2c3y h ASP 928 N 0.92 0.28 -0.37 0.19 3.32 -0.97 -0.08 116.42 119.70 2c3y h ASP 928 Ca 0.23 -0.08 -0.17 0.00 0.02 0.00 0.00 57.03 57.03 2c3y h ASP 928 Cb 0.12 -0.07 -0.00 0.00 0.22 0.00 0.00 39.33 39.60 2c3y h ASP 928 CO -0.03 0.54 -0.41 0.11 -1.72 0.00 0.00 179.24 177.73 2c3y h LYS 929 N 0.25 0.94 -0.66 3.56 1.57 -1.22 -2.88 116.57 118.13 2c3y h LYS 929 Ca 0.04 -0.51 -0.01 0.00 -1.87 0.00 0.00 60.65 58.30 2c3y h LYS 929 Cb 0.59 0.03 -0.03 0.00 0.08 0.00 0.00 32.23 32.90 2c3y h LYS 929 CO 0.04 1.16 0.36 1.25 -0.57 0.00 0.00 179.45 181.70 2c3y h LEU 930 N 0.76 0.83 -1.44 2.94 5.85 -0.39 0.30 115.31 124.15 2c3y h LEU 930 Ca 0.05 -0.10 0.05 0.00 0.84 0.00 0.00 57.88 58.72 2c3y h LEU 930 Cb 1.01 -0.21 -0.04 0.00 0.37 0.00 0.00 40.66 41.79 2c3y h LEU 930 CO 0.10 0.69 0.42 0.11 -0.34 0.00 0.00 178.44 179.42 2c3y h LYS 931 N 0.91 0.69 0.12 1.25 1.57 -0.86 0.64 116.57 120.88 2c3y h LYS 931 Ca 0.23 -0.04 -0.19 0.00 -1.87 0.00 0.00 60.65 58.78 2c3y h LYS 931 Cb 0.04 -0.15 0.01 0.00 0.08 0.00 0.00 32.23 32.21 2c3y h LYS 931 CO -0.04 0.45 -0.91 0.87 -0.57 0.00 0.00 179.45 179.26 2c3y h LYS 932 N 0.71 0.25 -0.48 3.15 1.57 -1.24 -3.00 116.57 117.52 2c3y h LYS 932 Ca 0.27 -0.42 -0.04 0.00 -1.87 0.00 0.00 60.65 58.59 2c3y h LYS 932 Cb 0.17 0.16 -0.02 0.00 0.08 0.00 0.00 32.23 32.61 2c3y h LYS 932 CO -0.08 1.20 0.14 -0.07 -0.57 0.00 0.00 179.45 180.07 2c3y h LEU 933 N -0.44 0.65 -2.22 2.94 3.38 -0.73 -2.85 115.31 116.03 2c3y h LEU 933 Ca -0.18 -0.09 0.00 0.00 0.09 0.00 0.00 57.88 57.70 2c3y h LEU 933 Cb 1.60 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 42.18 2c3y h LEU 933 CO 0.10 0.63 0.00 0.18 0.09 0.00 0.00 178.44 179.44 2c3y n LEU 934 N -4.32 3.29 -4.67 1.67 4.77 0.20 -4.97 117.00 112.97 2c3y n LEU 934 Ca 0.03 -1.51 -0.47 0.00 -0.03 0.00 0.00 56.01 54.04 2c3y n LEU 934 Cb 0.19 -0.31 -0.04 0.00 -2.33 0.00 0.00 43.42 40.93 2c3y n LEU 934 CO 0.39 0.75 1.27 0.00 -1.33 0.00 0.00 177.39 178.47 2c3y n ALA 935 N 1.34 1.17 0.00 -1.18 0.00 -1.08 -1.30 120.51 119.46 2c3y n ALA 935 Ca 0.20 0.40 0.00 0.00 0.00 0.00 0.00 53.44 54.04 2c3y n ALA 935 Cb 0.56 -2.39 0.00 0.00 0.00 0.00 0.00 19.45 17.62 2c3y n ALA 935 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2c3y n GLY 936 N 3.68 2.31 3.67 0.00 0.00 -1.26 -5.01 105.19 108.58 2c3y n GLY 936 Ca 0.19 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.78 2c3y n GLY 936 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2c3y s GLN 937 N -0.47 4.22 0.00 1.61 2.00 -0.42 -4.85 119.66 121.75 2c3y s GLN 937 Ca 0.00 2.06 0.00 0.00 -2.00 0.00 0.00 55.36 55.42 2c3y s GLN 937 Cb 0.00 -3.76 0.00 0.00 0.80 0.00 0.00 33.01 30.05 2c3y s GLN 937 CO 0.00 -0.72 0.11 1.63 -0.50 0.00 0.00 175.29 175.81 2c3y n LYS 938 N 6.26 2.63 -4.17 1.67 4.01 -1.26 -4.53 118.16 122.77 2c3y n LYS 938 Ca 0.15 -0.11 -0.30 0.00 -0.51 0.00 0.00 58.31 57.54 2c3y n LYS 938 Cb 0.43 -0.50 -0.09 0.00 -0.51 0.00 0.00 35.03 34.36 2c3y n LYS 938 CO 0.00 0.00 0.00 -0.51 -1.11 0.00 0.00 177.40 175.78 2c3y s ASP 939 N -0.41 4.73 0.99 4.39 -0.00 -1.26 -4.71 116.67 120.40 2c3y s ASP 939 Ca 0.00 -0.28 0.00 0.00 -0.00 0.00 0.00 52.55 52.27 2c3y s ASP 939 Cb 0.00 -1.03 0.00 0.00 -0.00 0.00 0.00 42.92 41.89 2c3y s ASP 939 CO 0.00 0.18 0.00 0.61 -0.00 0.00 0.00 175.17 175.96 2c3y n GLY 940 N 0.62 0.98 0.06 0.21 0.00 -1.26 -1.78 105.19 104.03 2c3y n GLY 940 Ca -0.12 -0.72 -0.11 0.00 0.00 0.00 0.00 46.02 45.08 2c3y n GLY 940 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 2c3y h LEU 941 N 0.00 -0.02 -1.73 0.99 6.46 -1.99 -2.17 115.31 116.85 2c3y h LEU 941 Ca 0.00 0.01 0.02 0.00 -0.12 0.00 0.00 57.88 57.79 2c3y h LEU 941 Cb 0.00 0.03 -0.02 0.00 -0.73 0.00 0.00 40.66 39.94 2c3y h LEU 941 CO 0.00 0.00 0.21 -0.07 -0.62 0.00 0.00 178.44 177.96 2c3y h LEU 942 N 0.03 0.31 -0.26 2.25 4.07 -1.96 -1.97 115.31 117.78 2c3y h LEU 942 Ca 0.03 -0.01 -0.02 0.00 0.08 0.00 0.00 57.88 57.97 2c3y h LEU 942 Cb 0.04 -0.08 -0.01 0.00 1.08 0.00 0.00 40.66 41.69 2c3y h LEU 942 CO -0.05 0.22 0.08 1.23 -1.08 0.00 0.00 178.44 178.84 2c3y h GLY 943 N 0.37 0.43 0.92 0.83 0.00 -0.73 -0.84 103.07 104.06 2c3y h GLY 943 Ca 0.12 -0.26 0.02 0.00 0.00 0.00 0.00 47.33 47.21 2c3y h GLY 943 CO -0.03 0.24 0.35 1.46 0.00 0.00 0.00 176.54 178.57 2c3y h GLN 944 N 0.25 0.69 -0.65 4.80 4.20 -0.92 -2.03 115.11 121.45 2c3y h GLN 944 Ca 0.08 -0.04 -0.05 0.00 0.06 0.00 0.00 58.65 58.71 2c3y h GLN 944 Cb 0.24 -0.16 -0.03 0.00 0.30 0.00 0.00 27.48 27.84 2c3y h GLN 944 CO -0.00 0.46 0.23 0.82 -0.67 0.00 0.00 178.83 179.66 2c3y h ILE 945 N 0.71 1.25 -0.16 2.54 2.04 -1.27 -2.57 117.51 120.05 2c3y h ILE 945 Ca 0.22 -0.81 -0.03 0.00 1.00 0.00 0.00 64.86 65.24 2c3y h ILE 945 Cb -0.02 0.55 -0.01 0.00 -0.74 0.00 0.00 36.82 36.60 2c3y h ILE 945 CO -0.08 0.32 -0.03 0.00 0.00 0.00 0.00 178.15 178.35 2c3y h ALA 946 N 1.09 1.66 0.00 1.87 0.00 -0.77 -1.55 119.26 121.57 2c3y h ALA 946 Ca 0.21 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 55.00 2c3y h ALA 946 Cb 0.26 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.97 2c3y h ALA 946 CO -0.01 0.25 0.00 0.00 0.00 0.00 0.00 179.25 179.49 2c3y n ALA 947 N -2.50 2.50 -1.00 0.00 0.00 -0.80 -3.30 120.51 115.40 2c3y n ALA 947 Ca -0.01 -0.16 0.07 0.00 0.00 0.00 0.00 53.44 53.35 2c3y n ALA 947 Cb 0.19 -1.47 0.28 0.00 0.00 0.00 0.00 19.45 18.45 2c3y n ALA 947 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 2c3y n MET 948 N -1.15 3.22 -0.07 0.00 2.00 -0.58 -4.72 117.12 115.82 2c3y n MET 948 Ca 0.18 -2.92 0.24 0.00 0.00 0.00 0.00 57.70 55.20 2c3y n MET 948 Cb 0.17 -1.93 0.72 0.00 0.00 0.00 0.00 33.22 32.17 2c3y n MET 948 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 175.97 176.63 2c3y h SER 949 N 2.14 0.00 0.00 7.83 4.64 -1.66 0.77 113.55 127.27 2c3y h SER 949 Ca 0.02 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.34 2c3y h SER 949 Cb 1.57 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.66 2c3y h SER 949 CO 0.29 0.00 0.00 -0.90 -0.87 0.00 0.00 176.83 175.35 2c3y n ASP 950 N -4.20 0.00 -0.13 4.97 5.68 -1.26 -2.30 116.55 119.30 2c3y n ASP 950 Ca 0.14 -1.32 0.03 0.00 -0.50 0.00 0.00 54.79 53.13 2c3y n ASP 950 Cb 0.78 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.77 2c3y n ASP 950 CO 0.00 0.00 0.00 0.18 -1.33 0.00 0.00 177.20 176.05 2c3y n LEU 951 N -0.70 0.99 0.39 -2.12 4.77 0.26 -4.81 117.00 115.78 2c3y n LEU 951 Ca 0.08 -0.81 -0.18 0.00 -0.03 0.00 0.00 56.01 55.07 2c3y n LEU 951 Cb 0.04 0.00 -0.09 0.00 -2.33 0.00 0.00 43.42 41.04 2c3y n LEU 951 CO 0.06 0.21 0.53 1.88 -1.33 0.00 0.00 177.39 178.74 2c3y h TYR 952 N 0.66 -1.17 -3.65 -1.77 0.99 -1.51 -3.43 116.97 107.08 2c3y h TYR 952 Ca 0.00 -0.01 -0.51 0.00 2.00 0.00 0.00 58.73 60.21 2c3y h TYR 952 Cb 0.18 0.42 -0.02 0.00 1.00 0.00 0.00 36.73 38.31 2c3y h TYR 952 CO 0.00 -0.65 0.28 -0.08 -0.00 0.00 0.00 178.16 177.71 2c3y s THR 953 N -5.58 4.21 0.04 -2.88 -1.32 -1.26 -4.67 115.64 104.18 2c3y s THR 953 Ca -0.17 1.93 -0.35 0.00 -1.21 0.00 0.00 61.69 61.89 2c3y s THR 953 Cb 0.03 -4.25 -0.14 0.00 -1.51 0.00 0.00 72.50 66.63 2c3y s THR 953 CO 0.53 0.50 1.66 1.17 -2.21 0.00 0.00 174.62 176.27 2c3y n LYS 954 N 1.58 1.98 -3.01 7.08 3.00 -1.26 -4.97 118.16 122.56 2c3y n LYS 954 Ca -0.03 0.72 -0.22 0.00 -0.00 0.00 0.00 58.31 58.77 2c3y n LYS 954 Cb 0.48 -2.49 0.01 0.00 0.00 0.00 0.00 35.03 33.03 2c3y n LYS 954 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.40 177.55 2c3y s LYS 955 N 2.07 3.01 -0.29 1.64 -0.14 -1.26 -4.79 119.74 119.99 2c3y s LYS 955 Ca 0.85 -0.59 0.02 0.00 -1.36 0.00 0.00 55.97 54.89 2c3y s LYS 955 Cb -0.74 -2.59 0.07 0.00 -1.68 0.00 0.00 37.83 32.89 2c3y s LYS 955 CO 0.45 -0.28 -0.05 0.45 -0.76 0.00 0.00 175.35 175.16 2c3y s SER 956 N -4.24 4.61 -0.28 2.83 0.15 0.82 -5.00 113.70 112.59 2c3y s SER 956 Ca 0.49 -1.52 -0.23 0.00 0.70 0.00 0.00 55.95 55.39 2c3y s SER 956 Cb -0.10 -1.60 -0.00 0.00 -1.71 0.00 0.00 66.02 62.60 2c3y s SER 956 CO 0.37 -0.25 0.77 -0.69 1.20 0.00 0.00 173.24 174.64 2c3y s VAL 957 N 1.10 4.84 0.02 4.45 1.01 -1.26 -0.74 120.40 129.81 2c3y s VAL 957 Ca -0.04 1.24 0.08 0.00 0.00 0.00 0.00 61.98 63.26 2c3y s VAL 957 Cb -0.20 -4.10 -0.03 0.00 0.00 0.00 0.00 36.38 32.05 2c3y s VAL 957 CO -0.05 -0.17 -0.23 0.26 0.00 0.00 0.00 175.10 174.92 2c3y s TRP 958 N 2.85 2.43 -0.26 5.22 0.52 0.25 -1.01 118.94 128.94 2c3y s TRP 958 Ca 0.32 -0.34 0.01 0.00 0.02 0.00 0.00 56.10 56.11 2c3y s TRP 958 Cb -0.15 -1.46 0.05 0.00 -1.15 0.00 0.00 33.47 30.76 2c3y s TRP 958 CO 0.11 0.13 -0.09 0.42 0.02 0.00 0.00 176.95 177.55 2c3y s ILE 959 N -0.79 2.42 -0.12 2.03 1.01 0.16 -0.88 121.20 125.03 2c3y s ILE 959 Ca 0.12 -1.48 -0.07 0.00 0.00 0.00 0.00 60.65 59.22 2c3y s ILE 959 Cb -0.10 -2.37 -0.04 0.00 0.01 0.00 0.00 42.46 39.96 2c3y s ILE 959 CO 0.02 0.01 0.15 -0.36 0.00 0.00 0.00 174.94 174.76 2c3y s PHE 960 N 1.17 3.60 -0.06 3.97 2.99 -0.39 -0.34 117.98 128.92 2c3y s PHE 960 Ca -0.06 0.54 -0.31 0.00 0.00 0.00 0.00 56.93 57.10 2c3y s PHE 960 Cb -0.19 -1.96 0.11 0.00 0.00 0.00 0.00 43.02 40.98 2c3y s PHE 960 CO -0.05 0.72 1.02 0.20 -0.00 0.00 0.00 175.22 177.11 2c3y s GLY 961 N -0.98 -0.39 0.64 4.36 0.00 -1.03 -0.70 107.32 109.22 2c3y s GLY 961 Ca 0.15 1.13 -0.03 0.00 0.00 0.00 0.00 44.72 45.97 2c3y s GLY 961 CO 0.04 0.37 0.87 0.61 0.00 0.00 0.00 173.10 174.99 2c3y n GLY 962 N -0.22 0.21 0.20 0.20 0.00 -1.26 -1.25 105.19 103.06 2c3y n GLY 962 Ca -0.05 -1.95 -0.04 0.00 0.00 0.00 0.00 46.02 43.98 2c3y n GLY 962 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 2c3y h ASP 963 N -0.69 0.32 -0.36 1.61 2.03 -1.83 -1.66 116.42 115.84 2c3y h ASP 963 Ca -0.29 -0.15 0.01 0.00 -0.73 0.00 0.00 57.03 55.88 2c3y h ASP 963 Cb 0.98 -0.09 -0.02 0.00 -0.83 0.00 0.00 39.33 39.37 2c3y h ASP 963 CO 0.28 0.74 0.22 1.23 -1.03 0.00 0.00 179.24 180.67 2c3y h GLY 964 N 1.25 0.51 0.81 7.15 0.00 -1.91 0.15 103.07 111.03 2c3y h GLY 964 Ca 0.02 -0.16 -0.03 0.00 0.00 0.00 0.00 47.33 47.15 2c3y h GLY 964 CO 0.07 0.15 -0.28 -0.25 0.00 0.00 0.00 176.54 176.23 2c3y h TRP 965 N 0.44 -0.73 -0.33 5.60 7.01 -1.87 -1.86 115.95 124.21 2c3y h TRP 965 Ca 0.14 -0.02 -0.01 0.00 2.11 0.00 0.00 58.89 61.12 2c3y h TRP 965 Cb -0.00 0.24 -0.02 0.00 -2.10 0.00 0.00 29.16 27.28 2c3y h TRP 965 CO -0.07 -0.40 0.17 0.00 -2.79 0.00 0.00 178.44 175.35 2c3y h ALA 966 N -0.71 0.43 0.00 2.65 0.00 -1.23 0.51 119.26 120.91 2c3y h ALA 966 Ca -0.08 -0.09 -0.10 0.00 0.00 0.00 0.00 54.91 54.64 2c3y h ALA 966 Cb 0.66 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.30 2c3y h ALA 966 CO 0.13 -0.03 -0.88 1.88 0.00 0.00 0.00 179.25 180.36 2c3y h TYR 967 N 0.41 0.00 0.00 0.00 -1.99 -0.83 -3.26 116.97 111.30 2c3y h TYR 967 Ca 0.12 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.85 2c3y h TYR 967 Cb 0.09 0.00 0.00 0.00 2.00 0.00 0.00 36.73 38.82 2c3y h TYR 967 CO -0.02 0.38 0.00 -0.25 -0.00 0.00 0.00 178.16 178.27 2c3y n ASP 968 N -2.99 0.00 -0.35 3.88 10.43 -0.71 -4.74 116.55 122.07 2c3y n ASP 968 Ca -0.02 0.00 0.04 0.00 2.57 0.00 0.00 54.79 57.38 2c3y n ASP 968 Cb 0.72 0.00 0.21 0.00 1.84 0.00 0.00 41.12 43.89 2c3y n ASP 968 CO 0.00 0.00 0.00 -0.29 -1.07 0.00 0.00 177.20 175.84 2c3y h ILE 969 N 0.00 1.03 -0.43 0.53 2.10 -1.32 -2.69 117.51 116.73 2c3y h ILE 969 Ca 0.00 -0.37 0.00 0.00 1.08 0.00 0.00 64.86 65.57 2c3y h ILE 969 Cb 0.00 -0.15 0.00 0.00 -1.09 0.00 0.00 36.82 35.58 2c3y h ILE 969 CO 0.00 0.20 0.00 0.61 -1.08 0.00 0.00 178.15 177.88 2c3y n GLY 970 N -1.37 1.71 0.11 8.18 0.00 0.18 -4.54 105.19 109.46 2c3y n GLY 970 Ca 0.16 -0.72 -0.08 0.00 0.00 0.00 0.00 46.02 45.38 2c3y n GLY 970 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 2c3y h TYR 971 N 4.21 -0.08 -0.97 1.61 3.20 -1.26 0.15 116.97 123.82 2c3y h TYR 971 Ca 0.00 0.02 0.09 0.00 3.14 0.00 0.00 58.73 61.98 2c3y h TYR 971 Cb 0.93 0.07 -0.08 0.00 1.54 0.00 0.00 36.73 39.20 2c3y h TYR 971 CO 0.28 -0.08 0.61 0.78 -1.64 0.00 0.00 178.16 178.12 2c3y h GLY 972 N 0.03 1.54 1.25 1.82 0.00 -1.80 0.29 103.07 106.20 2c3y h GLY 972 Ca 0.11 -0.43 -0.21 0.00 0.00 0.00 0.00 47.33 46.80 2c3y h GLY 972 CO -0.22 0.22 -0.75 -1.33 0.00 0.00 0.00 176.54 174.47 2c3y h GLY 973 N 1.03 0.82 0.86 4.60 0.00 -1.73 -2.33 103.07 106.33 2c3y h GLY 973 Ca 0.46 -1.13 -0.02 0.00 0.00 0.00 0.00 47.33 46.64 2c3y h GLY 973 CO -0.23 1.01 0.05 -2.00 0.00 0.00 0.00 176.54 175.38 2c3y h LEU 974 N 0.51 0.28 -0.51 3.11 5.85 -0.01 -1.27 115.31 123.27 2c3y h LEU 974 Ca -0.04 -0.21 0.07 0.00 0.84 0.00 0.00 57.88 58.53 2c3y h LEU 974 Cb 1.37 -0.07 -0.06 0.00 0.37 0.00 0.00 40.66 42.27 2c3y h LEU 974 CO 0.15 0.42 0.19 -0.78 -0.34 0.00 0.00 178.44 178.09 2c3y h ASP 975 N 0.13 0.21 -0.44 1.25 1.82 -0.48 -0.67 116.42 118.23 2c3y h ASP 975 Ca 0.06 0.06 -0.04 0.00 -0.39 0.00 0.00 57.03 56.72 2c3y h ASP 975 Cb 0.25 0.03 -0.02 0.00 0.68 0.00 0.00 39.33 40.27 2c3y h ASP 975 CO -0.00 0.15 0.12 -0.74 -1.61 0.00 0.00 179.24 177.15 2c3y h HIS 976 N 0.38 0.74 -0.66 0.28 2.76 -1.23 -1.55 115.15 115.87 2c3y h HIS 976 Ca 0.24 -0.08 -0.06 0.00 -2.20 0.00 0.00 60.37 58.27 2c3y h HIS 976 Cb 0.25 -0.21 -0.03 0.00 1.55 0.00 0.00 27.41 28.97 2c3y h HIS 976 CO -0.15 0.68 0.17 0.28 -1.30 0.00 0.00 177.93 177.60 2c3y h VAL 977 N 0.59 1.25 -0.29 5.26 2.07 -0.75 -2.15 116.25 122.23 2c3y h VAL 977 Ca 0.14 -0.92 -0.14 0.00 0.82 0.00 0.00 66.70 66.60 2c3y h VAL 977 Cb 0.31 0.56 -0.01 0.00 -1.52 0.00 0.00 31.29 30.63 2c3y h VAL 977 CO 0.00 0.35 -0.39 -0.07 0.02 0.00 0.00 177.57 177.48 2c3y h LEU 978 N 0.99 0.71 -0.27 2.57 3.38 -1.05 -2.71 115.31 118.94 2c3y h LEU 978 Ca 0.21 -0.32 0.00 0.00 0.09 0.00 0.00 57.88 57.86 2c3y h LEU 978 Cb 0.34 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 40.89 2c3y h LEU 978 CO -0.00 1.02 0.00 0.00 0.09 0.00 0.00 178.44 179.55 2c3y n ALA 979 N -2.51 1.72 0.20 1.53 0.00 -0.59 -2.75 120.51 118.11 2c3y n ALA 979 Ca -0.02 0.00 0.07 0.00 0.00 0.00 0.00 53.44 53.50 2c3y n ALA 979 Cb 0.52 -1.32 0.40 0.00 0.00 0.00 0.00 19.45 19.05 2c3y n ALA 979 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 2c3y h SER 980 N 0.00 0.00 0.00 0.00 4.64 -1.05 -3.47 113.55 113.67 2c3y h SER 980 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2c3y h SER 980 Cb 0.33 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.42 2c3y h SER 980 CO 0.00 0.31 0.00 0.61 -0.87 0.00 0.00 176.83 176.88 2c3y n GLY 981 N 0.12 0.62 3.92 -0.77 0.00 -1.11 -5.03 105.19 102.94 2c3y n GLY 981 Ca -0.00 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.75 2c3y n GLY 981 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2c3y s GLU 982 N -0.02 2.79 -1.19 1.61 2.02 -1.26 -4.26 118.70 118.38 2c3y s GLU 982 Ca 0.00 -0.07 -0.20 0.00 0.02 0.00 0.00 54.97 54.72 2c3y s GLU 982 Cb 0.00 -2.26 0.05 0.00 0.10 0.00 0.00 34.13 32.02 2c3y s GLU 982 CO 0.00 -0.79 1.67 0.34 0.02 0.00 0.00 175.26 176.50 2c3y s ASP 983 N -4.34 6.53 0.10 -0.19 3.68 -1.26 -1.47 116.67 119.72 2c3y s ASP 983 Ca 0.55 -2.02 0.04 0.00 2.13 0.00 0.00 52.55 53.25 2c3y s ASP 983 Cb -0.11 -2.58 -0.03 0.00 -1.45 0.00 0.00 42.92 38.75 2c3y s ASP 983 CO 0.45 -1.48 -0.12 0.68 0.13 0.00 0.00 175.17 174.83 2c3y s VAL 984 N 5.20 1.05 -0.16 1.11 -7.23 -1.25 -4.62 120.40 114.50 2c3y s VAL 984 Ca 0.53 -1.57 0.01 0.00 -1.81 0.00 0.00 61.98 59.14 2c3y s VAL 984 Cb 0.02 -1.31 0.02 0.00 0.56 0.00 0.00 36.38 35.67 2c3y s VAL 984 CO 0.03 -0.45 -0.18 0.20 -0.31 0.00 0.00 175.10 174.38 2c3y s ASN 985 N -2.27 2.92 -0.19 4.85 0.01 -0.18 -1.54 114.94 118.54 2c3y s ASN 985 Ca 0.04 -0.57 -0.06 0.00 -0.71 0.00 0.00 52.86 51.56 2c3y s ASN 985 Cb -0.05 -1.34 -0.03 0.00 0.41 0.00 0.00 41.25 40.24 2c3y s ASN 985 CO 0.01 -0.01 0.02 0.68 -1.51 0.00 0.00 177.10 176.29 2c3y s VAL 986 N 1.26 4.21 -0.26 1.60 -7.23 0.06 0.40 120.40 120.44 2c3y s VAL 986 Ca 0.02 -0.23 0.00 0.00 -1.81 0.00 0.00 61.98 59.96 2c3y s VAL 986 Cb -0.13 -2.89 0.04 0.00 0.56 0.00 0.00 36.38 33.96 2c3y s VAL 986 CO -0.10 0.44 -0.08 0.12 -0.31 0.00 0.00 175.10 175.18 2c3y s PHE 987 N 0.73 3.17 -0.27 2.82 5.36 0.54 -1.27 117.98 129.06 2c3y s PHE 987 Ca 0.01 -1.94 -0.10 0.00 -0.96 0.00 0.00 56.93 53.94 2c3y s PHE 987 Cb -0.14 -2.01 -0.04 0.00 -0.34 0.00 0.00 43.02 40.49 2c3y s PHE 987 CO 0.02 -0.81 0.16 0.08 -1.46 0.00 0.00 175.22 173.20 2c3y s VAL 988 N 1.22 4.99 -0.59 3.12 1.01 0.13 -2.46 120.40 127.83 2c3y s VAL 988 Ca -0.04 0.04 -0.19 0.00 0.00 0.00 0.00 61.98 61.78 2c3y s VAL 988 Cb -0.18 -3.38 0.10 0.00 0.00 0.00 0.00 36.38 32.92 2c3y s VAL 988 CO -0.05 0.26 0.69 -0.04 0.00 0.00 0.00 175.10 175.97 2c3y s MET 989 N 1.71 3.04 -0.60 2.72 -1.94 -0.38 -0.50 119.30 123.35 2c3y s MET 989 Ca 0.07 -1.32 -0.23 0.00 -1.71 0.00 0.00 55.69 52.50 2c3y s MET 989 Cb -0.16 -4.26 0.06 0.00 2.01 0.00 0.00 34.83 32.48 2c3y s MET 989 CO 0.09 -1.52 0.94 0.34 -0.01 0.00 0.00 175.02 174.85 2c3y s ASP 990 N 3.59 6.25 0.00 3.03 -1.08 -0.31 -2.95 116.67 125.20 2c3y s ASP 990 Ca 0.11 -0.69 0.23 0.00 -0.52 0.00 0.00 52.55 51.68 2c3y s ASP 990 Cb -0.24 -2.42 0.47 0.00 -1.46 0.00 0.00 42.92 39.27 2c3y s ASP 990 CO 0.06 -1.32 1.42 0.35 0.52 0.00 0.00 175.17 176.20 2c3y n THR 991 N 6.03 0.35 -2.59 1.71 -2.24 -1.26 -1.30 114.28 114.99 2c3y n THR 991 Ca -0.01 -0.62 -0.19 0.00 -2.27 0.00 0.00 64.05 60.96 2c3y n THR 991 Cb 0.46 0.93 0.00 0.00 -2.10 0.00 0.00 70.33 69.63 2c3y n THR 991 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2c3y n GLU 992 N 1.21 -2.54 -3.61 -0.78 1.02 -1.26 -4.87 120.64 109.82 2c3y n GLU 992 Ca 0.18 0.86 -0.03 0.00 -0.02 0.00 0.00 57.16 58.16 2c3y n GLU 992 Cb 0.55 -5.56 -0.02 0.00 -0.02 0.00 0.00 31.44 26.39 2c3y n GLU 992 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 2c3y s VAL 993 N -2.96 0.00 -0.75 2.62 0.11 -1.26 -3.96 120.40 114.20 2c3y s VAL 993 Ca 0.08 -0.03 -0.25 0.00 -2.93 0.00 0.00 61.98 58.85 2c3y s VAL 993 Cb -0.04 -1.18 0.05 0.00 -1.53 0.00 0.00 36.38 33.69 2c3y s VAL 993 CO 0.10 0.00 1.18 -0.31 -3.33 0.00 0.00 175.10 172.74 2c3y s TYR 994 N -2.31 2.49 -0.02 1.54 1.51 0.57 -4.56 117.35 116.57 2c3y s TYR 994 Ca 0.11 -0.38 -0.16 0.00 -1.01 0.00 0.00 57.07 55.63 2c3y s TYR 994 Cb 0.00 -4.50 -0.09 0.00 -0.11 0.00 0.00 41.96 37.27 2c3y s TYR 994 CO -0.04 -1.88 0.70 0.77 -1.11 0.00 0.00 175.55 173.99 2c3y h SER 995 N 9.78 -0.48 -0.96 2.29 0.02 -1.93 0.93 113.55 123.20 2c3y h SER 995 Ca -0.21 0.02 0.25 0.00 -0.84 0.00 0.00 61.79 61.00 2c3y h SER 995 Cb 1.05 0.12 -0.13 0.00 0.14 0.00 0.00 62.40 63.59 2c3y h SER 995 CO 1.25 -0.11 0.50 -1.13 -1.14 0.00 0.00 176.83 176.20 2c3y h ASN 996 N -1.04 0.49 0.56 3.07 -1.24 -1.93 -1.07 115.58 114.43 2c3y h ASN 996 Ca -0.06 0.15 0.00 0.00 0.71 0.00 0.00 56.30 57.11 2c3y h ASN 996 Cb 0.43 0.10 0.00 0.00 0.73 0.00 0.00 38.32 39.58 2c3y h ASN 996 CO 0.09 0.02 0.00 0.35 -1.29 0.00 0.00 177.43 176.60 2c3y n THR 997 N -4.99 0.11 0.00 -3.57 -2.24 -1.26 -4.87 114.28 97.47 2c3y n THR 997 Ca 0.25 0.03 0.00 0.00 -2.27 0.00 0.00 64.05 62.06 2c3y n THR 997 Cb 0.74 -0.57 0.00 0.00 -2.10 0.00 0.00 70.33 68.40 2c3y n THR 997 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2c3y n GLY 998 N 1.08 1.90 2.39 3.38 0.00 -0.41 -4.85 105.19 108.68 2c3y n GLY 998 Ca 0.12 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.04 2c3y n GLY 998 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2c3y n GLY 999 N 0.00 0.15 3.83 -0.02 0.00 0.29 -4.81 105.19 104.64 2c3y n GLY 999 Ca 0.00 -0.21 -0.33 0.00 0.00 0.00 0.00 46.02 45.48 2c3y n GLY 999 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2c3y s GLN 1000N -5.25 4.11 0.56 1.61 1.11 -1.04 -1.97 119.66 118.80 2c3y s GLN 1000Ca 0.17 0.89 -0.20 0.00 0.01 0.00 0.00 55.36 56.24 2c3y s GLN 1000Cb -0.08 -2.30 -0.04 0.00 -1.01 0.00 0.00 33.01 29.58 2c3y s GLN 1000CO 0.36 0.05 1.23 0.45 0.01 0.00 0.00 175.29 177.39 2c3y s SER 1001N -2.26 5.35 0.30 5.90 0.15 -0.22 -0.31 113.70 122.61 2c3y s SER 1001Ca 0.58 2.45 0.02 0.00 0.70 0.00 0.00 55.95 59.71 2c3y s SER 1001Cb -0.10 -2.61 -0.05 0.00 -1.71 0.00 0.00 66.02 61.56 2c3y s SER 1001CO 0.16 -1.49 0.12 -0.94 1.20 0.00 0.00 173.24 172.29 2c3y s SER 1002N -1.43 1.58 0.00 5.45 1.04 -1.26 -4.70 113.70 114.39 2c3y s SER 1002Ca 0.74 -1.47 0.15 0.00 0.48 0.00 0.00 55.95 55.85 2c3y s SER 1002Cb -0.32 0.25 0.73 0.00 0.10 0.00 0.00 66.02 66.77 2c3y s SER 1002CO 0.36 -0.79 1.44 0.29 0.98 0.00 0.00 173.24 175.52 2c3y n LYS 1003N -0.57 0.16 0.00 4.02 5.02 -1.26 -1.23 118.16 124.29 2c3y n LYS 1003Ca -0.00 0.17 0.13 0.00 -2.02 0.00 0.00 58.31 56.58 2c3y n LYS 1003Cb 0.66 -1.50 0.35 0.00 -0.02 0.00 0.00 35.03 34.51 2c3y n LYS 1003CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2c3y n ALA 1004N -1.34 3.25 -2.04 7.82 0.00 -1.26 -0.36 120.51 126.57 2c3y n ALA 1004Ca 0.06 -0.35 -0.41 0.00 0.00 0.00 0.00 53.44 52.74 2c3y n ALA 1004Cb 0.13 -1.16 -0.03 0.00 0.00 0.00 0.00 19.45 18.39 2c3y n ALA 1004CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 2c3y s THR 1005N -2.78 3.37 0.63 0.00 2.01 -0.37 -4.66 115.64 113.86 2c3y s THR 1005Ca 0.17 1.13 -0.10 0.00 0.31 0.00 0.00 61.69 63.21 2c3y s THR 1005Cb 0.18 -3.72 -0.02 0.00 0.01 0.00 0.00 72.50 68.95 2c3y s THR 1005CO 0.61 0.17 1.02 -2.16 -0.69 0.00 0.00 174.62 173.56 2c3y s PRO 1006N -0.10 3.28 0.27 4.92 0.04 -1.26 -3.76 135.00 138.39 2c3y s PRO 1006Ca 0.55 0.53 -0.30 0.00 0.04 0.00 0.00 61.00 61.82 2c3y s PRO 1006Cb -0.35 -2.11 -0.13 0.00 0.04 0.00 0.00 34.50 31.95 2c3y s PRO 1006CO 0.37 -0.70 1.32 2.41 0.04 0.00 0.00 177.00 180.44 2c3y n THR 1007N -2.77 1.37 0.00 1.26 -1.04 -1.25 -2.21 114.28 109.63 2c3y n THR 1007Ca 0.06 -0.34 0.00 0.00 -2.04 0.00 0.00 64.05 61.72 2c3y n THR 1007Cb 0.56 -1.43 0.00 0.00 -1.82 0.00 0.00 70.33 67.64 2c3y n THR 1007CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2c3y n GLY 1008N 1.63 2.59 3.76 3.41 0.00 -0.23 -4.85 105.19 111.50 2c3y n GLY 1008Ca 0.09 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.71 2c3y n GLY 1008CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2c3y s ALA 1009N -1.99 3.47 -0.14 4.61 0.00 -0.94 -4.37 121.76 122.41 2c3y s ALA 1009Ca 0.00 1.14 -0.18 0.00 0.00 0.00 0.00 51.96 52.92 2c3y s ALA 1009Cb 0.00 -3.43 -0.04 0.00 0.00 0.00 0.00 23.12 19.65 2c3y s ALA 1009CO 0.00 -0.48 0.46 0.08 0.00 0.00 0.00 175.76 175.82 2c3y s VAL 1010N -1.04 5.19 0.25 0.00 1.01 0.81 -1.21 120.40 125.41 2c3y s VAL 1010Ca 0.48 0.90 -0.19 0.00 0.00 0.00 0.00 61.98 63.18 2c3y s VAL 1010Cb -0.37 -3.80 0.02 0.00 0.00 0.00 0.00 36.38 32.23 2c3y s VAL 1010CO 0.48 0.31 0.62 0.00 0.00 0.00 0.00 175.10 176.51 2c3y s ALA 1011N 0.75 -0.97 0.19 5.51 0.00 -0.91 -4.81 121.76 121.52 2c3y s ALA 1011Ca 0.25 -0.36 -0.31 0.00 0.00 0.00 0.00 51.96 51.53 2c3y s ALA 1011Cb -0.15 0.90 -0.10 0.00 0.00 0.00 0.00 23.12 23.77 2c3y s ALA 1011CO 0.09 -0.93 1.53 0.15 0.00 0.00 0.00 175.76 176.60 2c3y s LYS 1012N -3.92 4.23 -0.02 0.00 -0.14 -0.83 -0.67 119.74 118.38 2c3y s LYS 1012Ca 0.12 2.35 0.00 0.00 -1.36 0.00 0.00 55.97 57.09 2c3y s LYS 1012Cb -0.03 -3.14 0.00 0.00 -1.68 0.00 0.00 37.83 32.98 2c3y s LYS 1012CO 0.04 -0.56 0.00 1.19 -0.76 0.00 0.00 175.35 175.27 2c3y n PHE 1013N 3.45 0.00 -2.72 3.18 3.01 -1.26 -1.06 117.46 122.06 2c3y n PHE 1013Ca 0.12 0.00 -0.03 0.00 1.01 0.00 0.00 57.45 58.54 2c3y n PHE 1013Cb 0.39 -0.19 0.10 0.00 -0.01 0.00 0.00 39.48 39.76 2c3y n PHE 1013CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 2c3y n ALA 1014N 1.00 2.57 1.03 4.37 0.00 0.15 -4.92 120.51 124.72 2c3y n ALA 1014Ca -0.00 -1.72 0.10 0.00 0.00 0.00 0.00 53.44 51.81 2c3y n ALA 1014Cb 0.03 -0.88 0.53 0.00 0.00 0.00 0.00 19.45 19.13 2c3y n ALA 1014CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2c3y n ALA 1015N -0.98 2.11 -0.76 0.00 0.00 -0.67 -1.96 120.51 118.23 2c3y n ALA 1015Ca -0.06 -0.10 0.07 0.00 0.00 0.00 0.00 53.44 53.35 2c3y n ALA 1015Cb 0.85 -1.32 0.12 0.00 0.00 0.00 0.00 19.45 19.09 2c3y n ALA 1015CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2c3y n ALA 1016N -1.20 2.27 -0.05 0.00 0.00 -1.26 -4.90 120.51 115.37 2c3y n ALA 1016Ca 0.11 -2.14 0.00 0.00 0.00 0.00 0.00 53.44 51.41 2c3y n ALA 1016Cb 0.13 -0.32 0.00 0.00 0.00 0.00 0.00 19.45 19.26 2c3y n ALA 1016CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2c3y n GLY 1017N -1.04 -0.05 3.70 0.00 0.00 -0.83 -4.95 105.19 102.03 2c3y n GLY 1017Ca 0.12 -1.20 -0.44 0.00 0.00 0.00 0.00 46.02 44.51 2c3y n GLY 1017CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2c3y n LYS 1018N 1.88 2.40 -0.44 1.61 4.81 -0.35 -4.65 118.16 123.42 2c3y n LYS 1018Ca 0.00 0.86 0.11 0.00 -0.87 0.00 0.00 58.31 58.41 2c3y n LYS 1018Cb 0.00 -2.61 0.33 0.00 0.02 0.00 0.00 35.03 32.77 2c3y n LYS 1018CO 0.00 0.00 0.00 0.54 1.17 0.00 0.00 177.40 179.11 2c3y n ARG 1019N 2.72 3.02 -4.23 1.64 5.12 -1.26 -1.07 116.66 122.60 2c3y n ARG 1019Ca 0.13 -2.72 -0.20 0.00 -1.93 0.00 0.00 57.85 53.12 2c3y n ARG 1019Cb 0.33 -1.65 -0.12 0.00 -1.16 0.00 0.00 32.46 29.86 2c3y n ARG 1019CO 0.00 0.00 0.00 0.95 -1.93 0.00 0.00 177.63 176.65 2c3y s THR 1020N -1.24 1.39 0.87 0.55 -4.23 -1.26 -5.05 115.64 106.67 2c3y s THR 1020Ca 0.49 -1.47 -0.12 0.00 -1.18 0.00 0.00 61.69 59.41 2c3y s THR 1020Cb 0.27 -1.34 0.11 0.00 1.34 0.00 0.00 72.50 72.89 2c3y s THR 1020CO 0.31 -0.19 1.11 -0.83 -0.54 0.00 0.00 174.62 174.47 2c3y s GLY 1021N -1.93 1.60 0.16 3.99 0.00 -1.26 -3.97 107.32 105.91 2c3y s GLY 1021Ca 0.03 -0.33 -0.31 0.00 0.00 0.00 0.00 44.72 44.12 2c3y s GLY 1021CO 0.03 0.17 1.43 1.25 0.00 0.00 0.00 173.10 175.98 2c3y s LYS 1022N -5.17 4.30 0.27 2.90 2.20 -1.25 -4.84 119.74 118.15 2c3y s LYS 1022Ca 0.62 2.18 -0.30 0.00 -0.36 0.00 0.00 55.97 58.11 2c3y s LYS 1022Cb -0.15 -3.19 -0.11 0.00 -1.51 0.00 0.00 37.83 32.87 2c3y s LYS 1022CO 0.54 -0.44 1.52 0.21 -0.36 0.00 0.00 175.35 176.83 2c3y s LYS 1023N 0.65 4.19 -1.24 4.03 2.20 0.51 -4.91 119.74 125.18 2c3y s LYS 1023Ca 0.64 2.45 -0.09 0.00 -0.36 0.00 0.00 55.97 58.60 2c3y s LYS 1023Cb -0.39 -3.07 0.19 0.00 -1.51 0.00 0.00 37.83 33.05 2c3y s LYS 1023CO 0.34 -0.54 1.74 -3.47 -0.36 0.00 0.00 175.35 173.07 2c3y n ASP 1024N 2.30 5.32 -0.23 1.43 -0.08 -1.26 -4.80 116.55 119.23 2c3y n ASP 1024Ca 0.08 -3.14 0.01 0.00 -1.51 0.00 0.00 54.79 50.23 2c3y n ASP 1024Cb 0.39 -1.46 0.13 0.00 2.34 0.00 0.00 41.12 42.52 2c3y n ASP 1024CO 0.00 0.00 0.00 0.25 0.12 0.00 0.00 177.20 177.57 2c3y h LEU 1025N 7.70 0.35 0.04 -2.67 5.85 -1.97 -2.22 115.31 122.38 2c3y h LEU 1025Ca 0.35 0.07 0.02 0.00 0.84 0.00 0.00 57.88 59.16 2c3y h LEU 1025Cb 0.66 0.02 -0.03 0.00 0.37 0.00 0.00 40.66 41.69 2c3y h LEU 1025CO 1.52 0.20 -0.16 0.00 -0.34 0.00 0.00 178.44 179.66 2c3y h ALA 1026N 1.44 -0.22 0.00 1.25 0.00 -2.00 -1.69 119.26 118.04 2c3y h ALA 1026Ca 0.34 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 55.19 2c3y h ALA 1026Cb 0.40 0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.45 2c3y h ALA 1026CO -0.30 -0.66 -0.24 0.00 0.00 0.00 0.00 179.25 178.05 2c3y h ARG 1027N -0.28 0.00 -0.39 0.00 3.08 -1.92 -1.49 114.38 113.37 2c3y h ARG 1027Ca 0.04 0.00 -0.16 0.00 0.07 0.00 0.00 59.98 59.93 2c3y h ARG 1027Cb 0.33 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.37 2c3y h ARG 1027CO -0.13 0.24 -0.38 0.52 -1.07 0.00 0.00 179.97 179.15 2c3y h MET 1028N 0.00 0.95 -0.00 0.04 2.86 -0.93 -3.10 114.93 114.74 2c3y h MET 1028Ca -0.00 -0.50 -0.16 0.00 -2.06 0.00 0.00 59.70 56.98 2c3y h MET 1028Cb 0.52 0.02 -0.02 0.00 0.06 0.00 0.00 31.60 32.17 2c3y h MET 1028CO 0.03 1.15 -0.76 -0.39 1.06 0.00 0.00 176.91 178.00 2c3y h VAL 1029N 0.77 1.54 0.00 -2.22 -1.51 -0.97 -3.00 116.25 110.87 2c3y h VAL 1029Ca 0.06 -2.60 0.00 0.00 -1.23 0.00 0.00 66.70 62.93 2c3y h VAL 1029Cb 0.98 2.40 0.00 0.00 -2.13 0.00 0.00 31.29 32.54 2c3y h VAL 1029CO 0.09 0.74 0.00 0.24 -1.23 0.00 0.00 177.57 177.42 2c3y h MET 1030N 0.01 0.00 0.00 5.19 2.07 -1.21 -2.25 114.93 118.74 2c3y h MET 1030Ca -0.01 0.00 0.00 0.00 -2.07 0.00 0.00 59.70 57.62 2c3y h MET 1030Cb 1.35 0.00 0.00 0.00 -1.87 0.00 0.00 31.60 31.08 2c3y h MET 1030CO 0.10 0.00 0.00 1.79 1.07 0.00 0.00 176.91 179.87 2c3y h THR 1031N 0.00 0.00 -0.10 2.22 1.35 -1.50 -2.45 112.91 112.43 2c3y h THR 1031Ca 0.00 -0.37 -0.12 0.00 -0.55 0.00 0.00 66.41 65.38 2c3y h THR 1031Cb 0.19 1.29 -0.01 0.00 -1.73 0.00 0.00 68.15 67.89 2c3y h THR 1031CO 0.00 0.00 -0.46 1.88 -0.25 0.00 0.00 175.52 176.69 2c3y h TYR 1032N 0.00 0.29 0.00 4.73 0.05 -1.61 -3.47 116.97 116.96 2c3y h TYR 1032Ca 0.00 -0.09 0.00 0.00 0.05 0.00 0.00 58.73 58.69 2c3y h TYR 1032Cb 0.39 -0.06 0.00 0.00 1.01 0.00 0.00 36.73 38.07 2c3y h TYR 1032CO 0.00 0.66 0.00 0.41 -1.05 0.00 0.00 178.16 178.18 2c3y n GLY 1033N -0.06 2.58 1.17 3.88 0.00 -0.93 -4.73 105.19 107.11 2c3y n GLY 1033Ca -0.02 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.08 2c3y n GLY 1033CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90 2c3y n TYR 1034N -0.18 1.11 -4.82 1.61 0.18 -1.26 -4.57 117.16 109.23 2c3y n TYR 1034Ca 0.00 -0.66 -0.33 0.00 1.88 0.00 0.00 57.90 58.79 2c3y n TYR 1034Cb 0.00 -0.22 -0.14 0.00 -0.38 0.00 0.00 39.34 38.60 2c3y n TYR 1034CO 0.00 0.00 0.00 0.08 -2.08 0.00 0.00 176.86 174.86 2c3y s VAL 1035N -1.94 2.98 -0.04 -3.48 1.01 -1.26 -4.49 120.40 113.17 2c3y s VAL 1035Ca 0.42 -0.69 -0.30 0.00 0.00 0.00 0.00 61.98 61.41 2c3y s VAL 1035Cb 0.28 -2.24 -0.04 0.00 0.00 0.00 0.00 36.38 34.39 2c3y s VAL 1035CO 0.18 0.53 1.20 -0.47 0.00 0.00 0.00 175.10 176.54 2c3y s TYR 1036N 0.25 3.23 -0.03 5.22 5.04 -0.23 -4.71 117.35 126.11 2c3y s TYR 1036Ca -0.10 1.23 0.03 0.00 -2.44 0.00 0.00 57.07 55.80 2c3y s TYR 1036Cb -0.16 -3.42 -0.00 0.00 0.35 0.00 0.00 41.96 38.74 2c3y s TYR 1036CO 0.05 -1.28 -0.13 0.08 -1.34 0.00 0.00 175.55 172.93 2c3y s VAL 1037N 2.06 1.08 0.03 3.14 1.01 -0.66 0.66 120.40 127.72 2c3y s VAL 1037Ca 0.56 -0.53 -0.20 0.00 0.00 0.00 0.00 61.98 61.82 2c3y s VAL 1037Cb -0.25 -0.94 0.04 0.00 0.00 0.00 0.00 36.38 35.23 2c3y s VAL 1037CO 0.23 0.32 0.45 0.00 0.00 0.00 0.00 175.10 176.10 2c3y s ALA 1038N 0.11 -1.13 0.06 5.51 0.00 -0.24 0.71 121.76 126.79 2c3y s ALA 1038Ca -0.03 0.46 0.10 0.00 0.00 0.00 0.00 51.96 52.48 2c3y s ALA 1038Cb -0.10 0.31 -0.03 0.00 0.00 0.00 0.00 23.12 23.30 2c3y s ALA 1038CO 0.01 -0.45 -0.26 0.95 0.00 0.00 0.00 175.76 176.01 2c3y s THR 1039N -2.27 2.14 0.10 0.00 -4.23 -0.53 -1.08 115.64 109.76 2c3y s THR 1039Ca -0.06 -1.46 0.00 0.00 -1.18 0.00 0.00 61.69 58.99 2c3y s THR 1039Cb -0.01 -1.84 -0.04 0.00 1.34 0.00 0.00 72.50 71.94 2c3y s THR 1039CO -0.01 0.30 -0.02 0.68 -0.54 0.00 0.00 174.62 175.03 2c3y s VAL 1040N -0.86 0.41 -0.30 2.29 -7.23 -0.58 -3.92 120.40 110.20 2c3y s VAL 1040Ca 0.12 -1.89 0.05 0.00 -1.81 0.00 0.00 61.98 58.45 2c3y s VAL 1040Cb -0.10 -1.76 0.19 0.00 0.56 0.00 0.00 36.38 35.26 2c3y s VAL 1040CO 0.03 -0.78 0.54 -0.55 -0.31 0.00 0.00 175.10 174.03 2c3y s SER 1041N -3.02 -1.00 0.28 4.85 0.15 -1.26 -2.36 113.70 111.33 2c3y s SER 1041Ca 0.14 -0.12 0.00 0.00 0.70 0.00 0.00 55.95 56.68 2c3y s SER 1041Cb 0.07 1.74 0.64 0.00 -1.71 0.00 0.00 66.02 66.75 2c3y s SER 1041CO -0.04 -0.30 1.68 -0.03 1.20 0.00 0.00 173.24 175.75 2c3y h MET 1042N 7.92 0.30 0.00 5.44 4.05 -1.86 -0.18 114.93 130.59 2c3y h MET 1042Ca -0.02 -0.02 -0.01 0.00 -0.28 0.00 0.00 59.70 59.37 2c3y h MET 1042Cb 1.17 -0.07 -0.00 0.00 -0.80 0.00 0.00 31.60 31.90 2c3y h MET 1042CO 0.18 0.20 -0.04 0.78 0.23 0.00 0.00 176.91 178.26 2c3y h GLY 1043N 0.31 0.00 0.00 1.39 0.00 -1.84 -3.04 103.07 99.89 2c3y h GLY 1043Ca 0.51 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 47.80 2c3y h GLY 1043CO -0.56 0.00 -0.22 -1.82 0.00 0.00 0.00 176.54 173.94 2c3y h TYR 1044N 0.00 0.00 -2.00 5.60 3.20 -1.20 -3.36 116.97 119.21 2c3y h TYR 1044Ca -0.00 0.00 -0.09 0.00 3.14 0.00 0.00 58.73 61.78 2c3y h TYR 1044Cb 0.08 0.00 -0.27 0.00 1.54 0.00 0.00 36.73 38.08 2c3y h TYR 1044CO 0.00 0.99 -0.40 0.45 -1.64 0.00 0.00 178.16 177.56 2c3y s SER 1045N -6.27 -0.22 0.27 -2.11 0.15 -1.05 -4.99 113.70 99.49 2c3y s SER 1045Ca -0.19 0.65 0.11 0.00 0.70 0.00 0.00 55.95 57.22 2c3y s SER 1045Cb -0.01 1.40 0.33 0.00 -1.71 0.00 0.00 66.02 66.02 2c3y s SER 1045CO 0.61 -0.27 1.59 0.11 1.20 0.00 0.00 173.24 176.49 2c3y h LYS 1046N 8.15 0.00 -0.20 5.44 1.57 -1.84 -2.86 116.57 126.83 2c3y h LYS 1046Ca -0.19 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.57 2c3y h LYS 1046Cb 1.14 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.44 2c3y h LYS 1046CO 0.21 0.63 0.02 1.96 -0.57 0.00 0.00 179.45 181.70 2c3y h GLN 1047N 0.00 0.34 -0.77 3.15 7.50 -1.94 -1.90 115.11 121.49 2c3y h GLN 1047Ca -0.01 -0.10 -0.04 0.00 0.50 0.00 0.00 58.65 59.01 2c3y h GLN 1047Cb 1.14 -0.04 -0.04 0.00 0.05 0.00 0.00 27.48 28.60 2c3y h GLN 1047CO 0.08 0.52 0.34 0.37 -1.50 0.00 0.00 178.83 178.64 2c3y h GLN 1048N 0.12 1.13 -0.01 1.46 -0.00 -1.96 -0.47 115.11 115.38 2c3y h GLN 1048Ca 0.06 -0.18 -0.00 0.00 -0.00 0.00 0.00 58.65 58.53 2c3y h GLN 1048Cb 0.35 -0.20 -0.00 0.00 0.00 0.00 0.00 27.48 27.64 2c3y h GLN 1048CO 0.01 0.89 0.01 0.35 0.00 0.00 0.00 178.83 180.08 2c3y h PHE 1049N 1.11 0.02 -0.86 3.99 3.57 -1.39 0.16 116.94 123.54 2c3y h PHE 1049Ca 0.26 -0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.75 2c3y h PHE 1049Cb 0.16 -0.01 -0.04 0.00 2.79 0.00 0.00 35.95 38.86 2c3y h PHE 1049CO 0.02 0.12 0.51 -0.07 -2.23 0.00 0.00 178.31 176.65 2c3y h LEU 1050N -0.09 1.05 -0.59 0.59 3.38 -1.15 -0.57 115.31 117.92 2c3y h LEU 1050Ca 0.00 -0.08 -0.00 0.00 0.09 0.00 0.00 57.88 57.89 2c3y h LEU 1050Cb 0.11 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.57 2c3y h LEU 1050CO -0.00 0.82 0.35 0.50 0.09 0.00 0.00 178.44 180.20 2c3y h LYS 1051N 1.19 0.80 -0.49 1.13 3.64 -0.75 -1.79 116.57 120.31 2c3y h LYS 1051Ca 0.31 -0.08 -0.02 0.00 -1.27 0.00 0.00 60.65 59.59 2c3y h LYS 1051Cb -0.03 -0.17 -0.02 0.00 -0.41 0.00 0.00 32.23 31.61 2c3y h LYS 1051CO -0.06 0.58 0.21 0.28 -2.27 0.00 0.00 179.45 178.20 2c3y h VAL 1052N 0.80 1.20 -0.10 2.00 2.07 -0.07 -1.52 116.25 120.63 2c3y h VAL 1052Ca 0.21 -0.61 0.02 0.00 0.82 0.00 0.00 66.70 67.13 2c3y h VAL 1052Cb -0.01 0.69 -0.02 0.00 -1.52 0.00 0.00 31.29 30.44 2c3y h VAL 1052CO -0.04 0.23 -0.01 -0.07 0.02 0.00 0.00 177.57 177.71 2c3y h LEU 1053N 0.65 -0.05 -0.17 2.57 3.38 -0.77 0.10 115.31 121.03 2c3y h LEU 1053Ca 0.17 0.02 0.02 0.00 0.09 0.00 0.00 57.88 58.18 2c3y h LEU 1053Cb 0.17 0.04 -0.02 0.00 0.09 0.00 0.00 40.66 40.94 2c3y h LEU 1053CO -0.02 -0.01 0.03 0.50 0.09 0.00 0.00 178.44 179.03 2c3y h LYS 1054N 0.03 0.09 -0.56 1.13 3.64 -1.20 -1.04 116.57 118.66 2c3y h LYS 1054Ca 0.05 -0.01 -0.06 0.00 -1.27 0.00 0.00 60.65 59.36 2c3y h LYS 1054Cb 0.06 -0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 31.84 2c3y h LYS 1054CO -0.09 0.06 0.10 0.93 -2.27 0.00 0.00 179.45 178.18 2c3y h GLU 1055N 0.10 0.92 0.00 1.90 5.08 -1.07 -1.78 114.58 119.72 2c3y h GLU 1055Ca 0.08 -0.24 -0.00 0.00 -1.00 0.00 0.00 59.36 58.19 2c3y h GLU 1055Cb 0.07 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.21 2c3y h GLU 1055CO -0.11 0.88 -0.00 0.00 -1.00 0.00 0.00 179.01 178.78 2c3y h ALA 1056N 1.00 -0.01 -0.56 3.43 0.00 -0.64 -2.22 119.26 120.27 2c3y h ALA 1056Ca 0.17 -0.15 -0.05 0.00 0.00 0.00 0.00 54.91 54.88 2c3y h ALA 1056Cb 0.40 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.17 2c3y h ALA 1056CO 0.01 -0.35 0.15 1.49 0.00 0.00 0.00 179.25 180.55 2c3y h GLU 1057N -0.31 0.85 0.00 0.00 4.22 -1.21 -2.61 114.58 115.52 2c3y h GLU 1057Ca -0.00 -0.16 0.00 0.00 0.08 0.00 0.00 59.36 59.27 2c3y h GLU 1057Cb 0.31 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.43 2c3y h GLU 1057CO 0.00 0.75 0.00 0.66 -2.18 0.00 0.00 179.01 178.24 2c3y h SER 1058N 0.82 0.00 -2.58 1.04 4.64 -1.31 -3.45 113.55 112.71 2c3y h SER 1058Ca 0.18 0.00 -0.54 0.00 -0.47 0.00 0.00 61.79 60.97 2c3y h SER 1058Cb 0.27 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.37 2c3y h SER 1058CO -0.00 0.00 1.09 0.12 -0.87 0.00 0.00 176.83 177.16 2c3y s PHE 1059N -3.15 2.01 -1.15 4.77 5.36 -0.84 -4.85 117.98 120.13 2c3y s PHE 1059Ca 0.09 0.08 -0.08 0.00 -0.96 0.00 0.00 56.93 56.06 2c3y s PHE 1059Cb 0.11 -4.03 -0.13 0.00 -0.34 0.00 0.00 43.02 38.64 2c3y s PHE 1059CO 0.58 -4.33 3.00 -0.35 -1.46 0.00 0.00 175.22 172.65 2c3y n PRO 1060N 6.51 3.09 -1.66 10.12 -0.04 -1.26 -4.72 135.00 147.03 2c3y n PRO 1060Ca 0.17 -1.81 0.00 0.00 -0.04 0.00 0.00 63.50 61.82 2c3y n PRO 1060Cb 0.41 -2.56 0.00 0.00 -0.04 0.00 0.00 33.50 31.31 2c3y n PRO 1060CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2c3y n GLY 1061N 3.34 0.87 3.77 0.55 0.00 -1.26 -4.82 105.19 107.64 2c3y n GLY 1061Ca 0.66 -0.86 -0.39 0.00 0.00 0.00 0.00 46.02 45.43 2c3y n GLY 1061CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 2c3y s PRO 1062N -1.92 4.36 -0.01 1.61 0.02 -0.54 -3.83 135.00 134.69 2c3y s PRO 1062Ca 0.00 1.88 0.03 0.00 0.02 0.00 0.00 61.00 62.93 2c3y s PRO 1062Cb 0.00 -2.95 -0.01 0.00 0.02 0.00 0.00 34.50 31.57 2c3y s PRO 1062CO 0.00 -0.07 -0.10 -1.12 -0.33 0.00 0.00 177.00 175.38 2c3y s SER 1063N -0.94 1.16 -0.09 2.53 0.01 -0.59 -1.07 113.70 114.71 2c3y s SER 1063Ca 0.50 -0.18 0.02 0.00 1.31 0.00 0.00 55.95 57.60 2c3y s SER 1063Cb -0.32 -0.16 0.02 0.00 0.21 0.00 0.00 66.02 65.76 2c3y s SER 1063CO 0.42 0.11 -0.13 -0.22 0.41 0.00 0.00 173.24 173.83 2c3y s LEU 1064N -0.16 1.61 -0.11 2.44 0.20 0.21 -0.76 118.68 122.11 2c3y s LEU 1064Ca 0.03 -0.36 0.01 0.00 0.69 0.00 0.00 54.13 54.50 2c3y s LEU 1064Cb -0.05 -0.95 0.02 0.00 -0.43 0.00 0.00 46.19 44.78 2c3y s LEU 1064CO -0.00 0.00 -0.12 -0.69 -0.29 0.00 0.00 176.35 175.25 2c3y s VAL 1065N 0.96 1.26 -0.21 1.68 1.01 -0.39 -1.07 120.40 123.64 2c3y s VAL 1065Ca -0.08 -0.48 -0.04 0.00 0.00 0.00 0.00 61.98 61.38 2c3y s VAL 1065Cb -0.15 -1.20 -0.01 0.00 0.00 0.00 0.00 36.38 35.02 2c3y s VAL 1065CO -0.00 0.40 -0.04 -0.63 0.00 0.00 0.00 175.10 174.83 2c3y s ILE 1066N 1.24 3.48 -0.05 2.22 1.01 -0.24 -0.69 121.20 128.17 2c3y s ILE 1066Ca -0.03 -0.46 0.00 0.00 0.00 0.00 0.00 60.65 60.17 2c3y s ILE 1066Cb -0.14 -2.58 -0.03 0.00 0.01 0.00 0.00 42.46 39.72 2c3y s ILE 1066CO -0.04 0.43 -0.04 0.00 0.00 0.00 0.00 174.94 175.29 2c3y s ALA 1067N 1.29 3.13 -0.41 9.38 0.00 0.35 -1.52 121.76 133.97 2c3y s ALA 1067Ca 0.04 -0.89 -0.28 0.00 0.00 0.00 0.00 51.96 50.82 2c3y s ALA 1067Cb -0.14 -1.31 0.02 0.00 0.00 0.00 0.00 23.12 21.69 2c3y s ALA 1067CO -0.01 0.60 1.08 -0.47 0.00 0.00 0.00 175.76 176.95 2c3y s TYR 1068N -0.90 2.97 -0.26 0.00 5.04 -0.99 -1.16 117.35 122.05 2c3y s TYR 1068Ca 0.14 0.87 -0.05 0.00 -2.44 0.00 0.00 57.07 55.59 2c3y s TYR 1068Cb -0.11 -4.05 -0.00 0.00 0.35 0.00 0.00 41.96 38.15 2c3y s TYR 1068CO 0.04 -1.03 0.02 0.00 -1.34 0.00 0.00 175.55 173.24 2c3y s ALA 1069N 4.01 2.96 0.75 3.97 0.00 -0.42 -4.78 121.76 128.25 2c3y s ALA 1069Ca 0.45 -1.31 -0.11 0.00 0.00 0.00 0.00 51.96 50.99 2c3y s ALA 1069Cb -0.10 -1.94 0.05 0.00 0.00 0.00 0.00 23.12 21.12 2c3y s ALA 1069CO 0.24 -0.68 1.09 0.95 0.00 0.00 0.00 175.76 177.36 2c3y s THR 1070N 1.49 3.34 -0.10 0.00 -4.23 -1.26 -4.11 115.64 110.77 2c3y s THR 1070Ca 0.04 0.46 -0.27 0.00 -1.18 0.00 0.00 61.69 60.74 2c3y s THR 1070Cb -0.16 -2.96 0.06 0.00 1.34 0.00 0.00 72.50 70.78 2c3y s THR 1070CO 0.00 -0.54 0.63 0.00 -0.54 0.00 0.00 174.62 174.18 2c3y h ILE 1072N 3.39 0.71 -0.03 0.00 3.07 -1.95 0.01 117.51 122.72 2c3y h ILE 1072Ca -0.28 -0.08 0.01 0.00 1.55 0.00 0.00 64.86 66.06 2c3y h ILE 1072Cb 1.15 0.46 -0.00 0.00 -0.27 0.00 0.00 36.82 38.16 2c3y h ILE 1072CO 0.31 0.04 0.02 0.78 -1.05 0.00 0.00 178.15 178.26 2c3y h ASN 1073N 0.24 0.00 1.14 2.16 -0.26 -1.96 -1.70 115.58 115.20 2c3y h ASN 1073Ca 0.37 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 56.11 2c3y h ASN 1073Cb 1.11 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 38.37 2c3y h ASN 1073CO -0.08 0.00 0.00 1.56 -1.06 0.00 0.00 177.43 177.85 2c3y h GLN 1074N 0.00 0.00 -4.88 0.81 4.20 -1.34 -3.43 115.11 110.47 2c3y h GLN 1074Ca 0.02 0.00 -0.22 0.00 0.06 0.00 0.00 58.65 58.51 2c3y h GLN 1074Cb 0.06 0.00 0.15 0.00 0.30 0.00 0.00 27.48 27.99 2c3y h GLN 1074CO -0.00 0.00 -0.64 0.41 -0.67 0.00 0.00 178.83 177.93 2c3y n GLY 1075N 0.54 -0.49 3.63 3.46 0.00 -0.64 -2.33 105.19 109.37 2c3y n GLY 1075Ca 0.03 0.22 -0.43 0.00 0.00 0.00 0.00 46.02 45.85 2c3y n GLY 1075CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2c3y s LEU 1076N -5.08 3.97 0.53 0.99 1.43 -1.26 0.17 118.68 119.44 2c3y s LEU 1076Ca 0.21 2.15 0.24 0.00 -1.03 0.00 0.00 54.13 55.70 2c3y s LEU 1076Cb -0.03 -3.52 1.38 0.00 0.03 0.00 0.00 46.19 44.05 2c3y s LEU 1076CO 0.57 -1.40 2.03 -0.09 0.23 0.00 0.00 176.35 177.69 2c3y h ARG 1077N 12.10 0.00 -0.32 1.70 2.43 -1.36 -2.51 114.38 126.42 2c3y h ARG 1077Ca -0.43 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.74 2c3y h ARG 1077Cb 1.22 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.77 2c3y h ARG 1077CO 0.96 0.00 0.00 1.63 -1.51 0.00 0.00 179.97 181.05 2c3y n LYS 1078N -4.38 2.20 0.00 0.20 5.02 -1.26 -5.08 118.16 114.86 2c3y n LYS 1078Ca 0.07 -1.99 0.00 0.00 -2.02 0.00 0.00 58.31 54.37 2c3y n LYS 1078Cb 0.50 -1.37 0.00 0.00 -0.02 0.00 0.00 35.03 34.14 2c3y n LYS 1078CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2c3y n GLY 1079N 1.00 2.84 0.14 0.72 0.00 -0.95 -4.74 105.19 104.20 2c3y n GLY 1079Ca 0.14 -1.83 0.12 0.00 0.00 0.00 0.00 46.02 44.45 2c3y n GLY 1079CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 2c3y n MET 1080N 0.31 0.19 0.00 1.61 2.81 -1.26 -1.66 117.12 119.11 2c3y n MET 1080Ca 0.00 0.48 0.06 0.00 -1.81 0.00 0.00 57.70 56.43 2c3y n MET 1080Cb 0.00 -1.90 0.30 0.00 -0.71 0.00 0.00 33.22 30.91 2c3y n MET 1080CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2c3y n GLY 1081N -0.31 -0.68 1.03 3.03 0.00 -1.19 -0.90 105.19 106.16 2c3y n GLY 1081Ca 0.01 -0.06 0.08 0.00 0.00 0.00 0.00 46.02 46.06 2c3y n GLY 1081CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2c3y n LYS 1082N -1.29 2.93 -0.14 1.61 4.76 -0.67 -3.60 118.16 121.77 2c3y n LYS 1082Ca 0.06 -2.42 -0.03 0.00 -2.87 0.00 0.00 58.31 53.04 2c3y n LYS 1082Cb 0.09 -1.49 0.03 0.00 -1.84 0.00 0.00 35.03 31.83 2c3y n LYS 1082CO 0.00 0.00 0.00 0.77 -1.37 0.00 0.00 177.40 176.80 2c3y h SER 1083N 3.09 -0.35 -0.91 4.39 0.02 -1.20 0.12 113.55 118.71 2c3y h SER 1083Ca 0.00 0.13 0.01 0.00 -0.84 0.00 0.00 61.79 61.09 2c3y h SER 1083Cb 0.95 0.26 -0.04 0.00 0.14 0.00 0.00 62.40 63.71 2c3y h SER 1083CO 0.04 -0.12 0.60 1.56 -1.14 0.00 0.00 176.83 177.76 2c3y h GLN 1084N 0.03 1.21 -0.42 3.45 1.08 -1.83 0.14 115.11 118.76 2c3y h GLN 1084Ca 0.22 -0.08 -0.06 0.00 -1.45 0.00 0.00 58.65 57.28 2c3y h GLN 1084Cb 0.34 -0.27 -0.02 0.00 -0.05 0.00 0.00 27.48 27.49 2c3y h GLN 1084CO -0.44 0.81 0.02 0.22 -0.95 0.00 0.00 178.83 178.48 2c3y h ASP 1085N 1.24 0.72 -0.50 1.46 3.58 -1.59 -0.30 116.42 121.03 2c3y h ASP 1085Ca 0.33 -0.30 -0.04 0.00 0.42 0.00 0.00 57.03 57.44 2c3y h ASP 1085Cb -0.13 -0.19 -0.03 0.00 1.72 0.00 0.00 39.33 40.70 2c3y h ASP 1085CO -0.07 0.84 0.17 0.58 -2.88 0.00 0.00 179.24 177.88 2c3y h VAL 1086N 0.58 1.22 -0.28 2.25 2.07 -0.16 0.26 116.25 122.18 2c3y h VAL 1086Ca 0.12 -0.74 -0.11 0.00 0.82 0.00 0.00 66.70 66.80 2c3y h VAL 1086Cb 0.46 0.62 -0.01 0.00 -1.52 0.00 0.00 31.29 30.83 2c3y h VAL 1086CO 0.02 0.28 -0.28 0.24 0.02 0.00 0.00 177.57 177.85 2c3y h MET 1087N 0.80 0.57 -0.31 1.57 2.86 -0.39 0.79 114.93 120.81 2c3y h MET 1087Ca 0.18 -0.24 -0.06 0.00 -2.06 0.00 0.00 59.70 57.52 2c3y h MET 1087Cb 0.24 -0.02 -0.01 0.00 0.06 0.00 0.00 31.60 31.86 2c3y h MET 1087CO -0.01 0.80 -0.04 -0.97 1.06 0.00 0.00 176.91 177.75 2c3y h ASN 1088N 0.50 0.58 0.47 1.22 -0.00 -0.11 -3.01 115.58 115.23 2c3y h ASN 1088Ca 0.07 -0.34 -0.16 0.00 -0.00 0.00 0.00 56.30 55.87 2c3y h ASN 1088Cb 0.74 -0.16 -0.01 0.00 -0.00 0.00 0.00 38.32 38.89 2c3y h ASN 1088CO 0.06 0.78 -0.68 0.74 -0.00 0.00 0.00 177.43 178.33 2c3y h THR 1089N 0.37 1.43 -0.97 -3.57 2.02 -0.85 -1.80 112.91 109.53 2c3y h THR 1089Ca 0.08 -2.18 0.13 0.00 0.77 0.00 0.00 66.41 65.21 2c3y h THR 1089Cb 0.51 2.15 -0.08 0.00 -1.74 0.00 0.00 68.15 68.98 2c3y h THR 1089CO 0.02 0.64 0.62 0.00 0.37 0.00 0.00 175.52 177.17 2c3y h ALA 1090N 1.17 1.60 0.00 6.16 0.00 -0.73 0.90 119.26 128.36 2c3y h ALA 1090Ca -0.01 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 2c3y h ALA 1090Cb 1.21 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 18.82 2c3y h ALA 1090CO 0.10 0.14 -0.05 0.28 0.00 0.00 0.00 179.25 179.72 2c3y h VAL 1091N 0.91 1.61 -0.71 0.00 2.07 -1.39 0.42 116.25 119.17 2c3y h VAL 1091Ca 0.49 -2.23 0.06 0.00 0.82 0.00 0.00 66.70 65.84 2c3y h VAL 1091Cb 0.56 3.07 -0.04 0.00 -1.52 0.00 0.00 31.29 33.35 2c3y h VAL 1091CO -0.25 0.55 0.46 0.11 0.02 0.00 0.00 177.57 178.46 2c3y h LYS 1092N -1.00 0.73 0.00 1.57 1.57 -1.07 0.16 116.57 118.54 2c3y h LYS 1092Ca -0.01 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.72 2c3y h LYS 1092Cb 0.93 -0.16 0.00 0.00 0.08 0.00 0.00 32.23 33.08 2c3y h LYS 1092CO -0.01 0.48 0.00 0.66 -0.57 0.00 0.00 179.45 180.02 2c3y h SER 1093N 0.75 0.00 0.00 0.86 4.64 -0.97 -1.57 113.55 117.26 2c3y h SER 1093Ca 0.30 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.62 2c3y h SER 1093Cb 0.22 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.31 2c3y h SER 1093CO -0.10 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.47 2c3y n GLY 1094N 0.03 0.77 0.28 -0.77 0.00 0.05 -4.17 105.19 101.38 2c3y n GLY 1094Ca 0.02 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.94 2c3y n GLY 1094CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 2c3y h TYR 1095N 0.00 1.08 -2.78 1.61 3.20 -1.57 -3.37 116.97 115.15 2c3y h TYR 1095Ca 0.00 -0.19 -0.61 0.00 3.14 0.00 0.00 58.73 61.07 2c3y h TYR 1095Cb 0.00 -0.28 -0.40 0.00 1.54 0.00 0.00 36.73 37.59 2c3y h TYR 1095CO 0.00 0.98 -0.74 -0.46 -1.64 0.00 0.00 178.16 176.29 2c3y s TRP 1096N -5.00 2.51 0.44 -3.82 -0.11 0.14 -4.99 118.94 108.11 2c3y s TRP 1096Ca -0.12 -2.90 -0.25 0.00 1.22 0.00 0.00 56.10 54.05 2c3y s TRP 1096Cb 0.13 -1.94 -0.08 0.00 -1.50 0.00 0.00 33.47 30.07 2c3y s TRP 1096CO 0.84 -0.67 1.37 -2.14 -4.62 0.00 0.00 176.95 171.73 2c3y s PRO 1097N -0.80 3.75 -0.13 5.86 0.02 -1.26 -4.12 135.00 138.33 2c3y s PRO 1097Ca 0.28 2.28 -0.05 0.00 0.02 0.00 0.00 61.00 63.53 2c3y s PRO 1097Cb -0.01 -2.65 -0.04 0.00 0.02 0.00 0.00 34.50 31.82 2c3y s PRO 1097CO -0.18 -0.72 0.06 -0.51 -0.33 0.00 0.00 177.00 175.32 2c3y s LEU 1098N -2.69 3.85 0.25 -5.54 1.43 -1.26 -4.85 118.68 109.88 2c3y s LEU 1098Ca 0.60 0.20 -0.22 0.00 -1.03 0.00 0.00 54.13 53.68 2c3y s LEU 1098Cb -0.41 -1.93 0.03 0.00 0.03 0.00 0.00 46.19 43.91 2c3y s LEU 1098CO 0.52 0.31 0.72 0.72 0.23 0.00 0.00 176.35 178.85 2c3y s PHE 1099N -0.45 -0.24 -0.01 0.29 -0.12 -1.25 -0.47 117.98 115.72 2c3y s PHE 1099Ca 0.10 -0.17 -0.01 0.00 -0.05 0.00 0.00 56.93 56.80 2c3y s PHE 1099Cb -0.12 0.68 0.01 0.00 -0.63 0.00 0.00 43.02 42.96 2c3y s PHE 1099CO 0.02 -1.16 0.03 1.03 -0.05 0.00 0.00 175.22 175.09 2c3y s ARG 1100N -3.86 0.01 -0.26 1.99 0.52 -0.02 -1.46 118.95 115.87 2c3y s ARG 1100Ca 0.10 0.07 0.03 0.00 -0.52 0.00 0.00 55.73 55.41 2c3y s ARG 1100Cb -0.05 -0.05 0.06 0.00 0.52 0.00 0.00 34.95 35.43 2c3y s ARG 1100CO 0.04 -0.04 -0.10 -0.47 0.02 0.00 0.00 175.30 174.74 2c3y s TYR 1101N 0.27 3.29 -0.31 -0.53 5.04 0.22 0.30 117.35 125.63 2c3y s TYR 1101Ca -0.02 -2.35 0.02 0.00 -2.44 0.00 0.00 57.07 52.28 2c3y s TYR 1101Cb -0.03 -1.97 0.08 0.00 0.35 0.00 0.00 41.96 40.39 2c3y s TYR 1101CO -0.01 -0.88 0.00 0.34 -1.34 0.00 0.00 175.55 173.66 2c3y s ASP 1102N 1.09 4.72 0.59 4.32 -1.08 0.53 -1.65 116.67 125.20 2c3y s ASP 1102Ca -0.08 -1.73 0.29 0.00 -0.52 0.00 0.00 52.55 50.51 2c3y s ASP 1102Cb -0.20 -1.64 1.59 0.00 -1.46 0.00 0.00 42.92 41.21 2c3y s ASP 1102CO -0.05 -0.31 2.00 -0.65 0.52 0.00 0.00 175.17 176.68 2c3y h PRO 1103N 7.78 0.00 0.00 4.34 0.11 -1.84 -2.18 132.00 140.20 2c3y h PRO 1103Ca -0.13 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.98 2c3y h PRO 1103Cb 1.04 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.15 2c3y h PRO 1103CO 0.52 0.00 0.00 0.07 -0.21 0.00 0.00 178.00 178.38 2c3y h ARG 1104N 0.00 0.00 -0.32 1.05 0.11 -1.94 -2.99 114.38 110.29 2c3y h ARG 1104Ca 0.13 0.00 -0.18 0.00 0.10 0.00 0.00 59.98 60.04 2c3y h ARG 1104Cb 0.79 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 31.87 2c3y h ARG 1104CO -0.00 0.00 -0.50 -0.07 0.10 0.00 0.00 179.97 179.50 2c3y h LEU 1105N 0.00 0.99 -0.80 0.08 3.38 -1.68 -2.95 115.31 114.33 2c3y h LEU 1105Ca 0.00 -0.51 0.00 0.00 0.09 0.00 0.00 57.88 57.46 2c3y h LEU 1105Cb 0.70 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 41.13 2c3y h LEU 1105CO 0.00 1.31 0.51 0.00 0.09 0.00 0.00 178.44 180.35 2c3y h ALA 1106N 0.71 1.02 0.00 1.53 0.00 -1.31 0.78 119.26 121.98 2c3y h ALA 1106Ca 0.03 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.86 2c3y h ALA 1106Cb 1.10 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 18.57 2c3y h ALA 1106CO 0.11 0.46 0.18 0.00 0.00 0.00 0.00 179.25 180.00 2c3y h ALA 1107N 1.27 1.15 -0.65 0.00 0.00 -1.40 -0.67 119.26 118.96 2c3y h ALA 1107Ca 0.29 0.00 -0.47 0.00 0.00 0.00 0.00 54.91 54.73 2c3y h ALA 1107Cb -0.08 0.00 -0.35 0.00 0.00 0.00 0.00 17.79 17.35 2c3y h ALA 1107CO -0.06 -0.15 -0.66 0.00 0.00 0.00 0.00 179.25 178.38 2c3y n GLN 1108N -2.55 3.24 -1.72 0.00 10.64 0.11 -4.95 117.38 122.15 2c3y n GLN 1108Ca -0.02 -3.98 -0.20 0.00 -1.83 0.00 0.00 57.00 50.97 2c3y n GLN 1108Cb 0.22 -2.18 -0.07 0.00 -0.86 0.00 0.00 30.24 27.35 2c3y n GLN 1108CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 2c3y n GLY 1109N -0.79 1.55 3.54 2.61 0.00 -0.26 -4.98 105.19 106.86 2c3y n GLY 1109Ca 0.41 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 46.17 2c3y n GLY 1109CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2c3y s LYS 1110N -3.92 1.93 -0.05 1.61 1.02 -0.26 -4.99 119.74 115.08 2c3y s LYS 1110Ca 0.00 -1.35 -0.30 0.00 0.02 0.00 0.00 55.97 54.34 2c3y s LYS 1110Cb 0.00 -2.07 -0.05 0.00 -0.52 0.00 0.00 37.83 35.19 2c3y s LYS 1110CO 0.00 0.42 1.54 1.21 -0.92 0.00 0.00 175.35 177.60 2c3y s ASN 1111N -2.85 6.74 0.45 2.83 3.84 -1.26 -2.28 114.94 122.41 2c3y s ASN 1111Ca 0.24 2.15 0.21 0.00 0.21 0.00 0.00 52.86 55.68 2c3y s ASN 1111Cb -0.08 -2.54 1.05 0.00 -0.55 0.00 0.00 41.25 39.12 2c3y s ASN 1111CO 0.14 -0.85 1.92 1.55 -2.79 0.00 0.00 177.10 177.07 2c3y h PRO 1112N 8.86 0.00 -5.94 0.43 0.13 -1.88 -3.43 132.00 130.17 2c3y h PRO 1112Ca -0.37 0.00 -0.57 0.00 -0.87 0.00 0.00 66.00 64.18 2c3y h PRO 1112Cb 1.17 0.00 -0.07 0.00 0.13 0.00 0.00 31.00 32.23 2c3y h PRO 1112CO 0.94 0.24 0.24 0.12 -0.23 0.00 0.00 178.00 179.32 2c3y s PHE 1113N -4.05 3.47 -0.09 1.56 5.36 -1.26 -0.34 117.98 122.63 2c3y s PHE 1113Ca -0.02 1.21 0.01 0.00 -0.96 0.00 0.00 56.93 57.16 2c3y s PHE 1113Cb 0.13 -2.91 0.02 0.00 -0.34 0.00 0.00 43.02 39.92 2c3y s PHE 1113CO 0.65 -0.11 -0.08 -0.65 -1.46 0.00 0.00 175.22 173.56 2c3y s GLN 1114N 1.62 1.44 -0.16 10.12 -0.21 0.15 -4.71 119.66 127.91 2c3y s GLN 1114Ca 0.37 -0.27 -0.23 0.00 0.02 0.00 0.00 55.36 55.26 2c3y s GLN 1114Cb -0.17 -1.39 -0.02 0.00 1.00 0.00 0.00 33.01 32.43 2c3y s GLN 1114CO 0.14 -0.14 0.70 -0.51 -2.12 0.00 0.00 175.29 173.36 2c3y s LEU 1115N 1.27 4.19 0.00 2.90 1.43 -1.26 -0.84 118.68 126.37 2c3y s LEU 1115Ca -0.04 1.02 0.18 0.00 -1.03 0.00 0.00 54.13 54.26 2c3y s LEU 1115Cb -0.14 -3.03 -0.18 0.00 0.03 0.00 0.00 46.19 42.87 2c3y s LEU 1115CO -0.03 -0.27 0.78 0.47 0.23 0.00 0.00 176.35 177.53 2c3y n ASP 1116N 4.79 0.92 -4.69 2.29 8.00 0.38 -4.97 116.55 123.27 2c3y n ASP 1116Ca 0.00 -0.96 -0.30 0.00 0.71 0.00 0.00 54.79 54.24 2c3y n ASP 1116Cb 0.50 0.96 -0.09 0.00 -0.02 0.00 0.00 41.12 42.46 2c3y n ASP 1116CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 2c3y s SER 1117N -2.64 4.00 0.41 -2.24 1.04 -1.15 -4.90 113.70 108.21 2c3y s SER 1117Ca 0.07 -1.51 0.08 0.00 0.48 0.00 0.00 55.95 55.08 2c3y s SER 1117Cb 0.14 0.04 -0.00 0.00 0.10 0.00 0.00 66.02 66.30 2c3y s SER 1117CO 0.71 -0.64 0.50 -0.54 0.98 0.00 0.00 173.24 174.25 2c3y s LYS 1118N -3.79 2.78 0.66 4.02 1.02 -1.26 -4.92 119.74 118.25 2c3y s LYS 1118Ca 0.21 -1.30 -0.17 0.00 0.02 0.00 0.00 55.97 54.73 2c3y s LYS 1118Cb 0.06 -2.66 -0.01 0.00 -0.52 0.00 0.00 37.83 34.70 2c3y s LYS 1118CO 0.11 -0.21 1.14 0.00 -0.92 0.00 0.00 175.35 175.47 2c3y n ALA 1119N -1.73 0.55 -1.58 5.17 0.00 -1.26 -4.76 120.51 116.89 2c3y n ALA 1119Ca 0.06 -0.06 -0.54 0.00 0.00 0.00 0.00 53.44 52.90 2c3y n ALA 1119Cb 0.60 -2.22 -0.06 0.00 0.00 0.00 0.00 19.45 17.76 2c3y n ALA 1119CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 2c3y n PRO 1120N -1.76 0.93 0.00 0.00 -0.02 -1.26 -4.81 135.00 128.07 2c3y n PRO 1120Ca 0.15 0.34 0.14 0.00 -2.02 0.00 0.00 63.50 62.11 2c3y n PRO 1120Cb 0.48 -1.95 0.64 0.00 -0.02 0.00 0.00 33.50 32.65 2c3y n PRO 1120CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 2c3y n ASP 1121N 2.53 0.70 0.00 2.55 5.68 -0.59 -4.92 116.55 122.50 2c3y n ASP 1121Ca 0.19 -0.94 0.00 0.00 -0.50 0.00 0.00 54.79 53.54 2c3y n ASP 1121Cb 0.16 -0.02 0.00 0.00 -1.14 0.00 0.00 41.12 40.12 2c3y n ASP 1121CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2c3y n GLY 1122N 1.20 0.76 1.16 6.12 0.00 -1.26 -4.98 105.19 108.19 2c3y n GLY 1122Ca 0.17 -0.20 0.10 0.00 0.00 0.00 0.00 46.02 46.10 2c3y n GLY 1122CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2c3y n SER 1123N 0.37 3.62 -0.32 1.61 3.41 -1.26 -4.59 113.62 116.45 2c3y n SER 1123Ca 0.00 -1.98 0.07 0.00 -0.26 0.00 0.00 58.87 56.69 2c3y n SER 1123Cb 0.00 -0.38 0.22 0.00 -0.26 0.00 0.00 64.21 63.79 2c3y n SER 1123CO 0.00 0.00 0.00 -0.37 -0.16 0.00 0.00 175.04 174.51 2c3y h VAL 1124N 3.84 0.84 -0.38 -3.33 -1.51 -1.94 -1.12 116.25 112.65 2c3y h VAL 1124Ca 0.00 -0.28 0.06 0.00 -1.23 0.00 0.00 66.70 65.25 2c3y h VAL 1124Cb 0.93 -0.04 -0.05 0.00 -2.13 0.00 0.00 31.29 30.00 2c3y h VAL 1124CO 0.00 0.15 0.07 -0.08 -1.23 0.00 0.00 177.57 176.48 2c3y h GLU 1125N 0.81 0.19 -0.26 5.19 4.57 -1.95 0.15 114.58 123.28 2c3y h GLU 1125Ca 0.47 -0.01 -0.13 0.00 -1.18 0.00 0.00 59.36 58.51 2c3y h GLU 1125Cb 0.55 -0.04 -0.01 0.00 -0.16 0.00 0.00 28.75 29.09 2c3y h GLU 1125CO -0.30 0.13 -0.37 1.05 -1.18 0.00 0.00 179.01 178.34 2c3y h GLU 1126N 0.20 0.60 -0.01 1.92 4.11 -1.73 -1.41 114.58 118.25 2c3y h GLU 1126Ca 0.18 -0.29 0.01 0.00 0.07 0.00 0.00 59.36 59.34 2c3y h GLU 1126Cb 0.21 -0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.44 2c3y h GLU 1126CO -0.24 0.87 -0.07 0.35 0.07 0.00 0.00 179.01 180.00 2c3y h PHE 1127N 0.50 -0.17 0.10 2.06 3.57 -0.44 -1.85 116.94 120.71 2c3y h PHE 1127Ca 0.05 0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.55 2c3y h PHE 1127Cb 0.86 0.08 0.00 0.00 2.79 0.00 0.00 35.95 39.68 2c3y h PHE 1127CO 0.04 -0.11 -0.05 -0.07 -2.23 0.00 0.00 178.31 175.89 2c3y h LEU 1128N -0.11 -0.11 -0.66 0.59 3.38 -0.64 -2.99 115.31 114.77 2c3y h LEU 1128Ca 0.03 -0.19 0.00 0.00 0.09 0.00 0.00 57.88 57.81 2c3y h LEU 1128Cb 0.15 0.03 0.00 0.00 0.09 0.00 0.00 40.66 40.93 2c3y h LEU 1128CO -0.08 0.13 0.00 0.23 0.09 0.00 0.00 178.44 178.81 2c3y n MET 1129N -5.04 0.10 0.00 1.13 2.81 -0.54 -1.42 117.12 114.15 2c3y n MET 1129Ca -0.08 0.48 0.15 0.00 -1.81 0.00 0.00 57.70 56.44 2c3y n MET 1129Cb 0.16 -1.75 0.74 0.00 -0.71 0.00 0.00 33.22 31.66 2c3y n MET 1129CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 2c3y n ALA 1130N -1.66 2.65 -3.37 3.04 0.00 -0.70 -4.60 120.51 115.86 2c3y n ALA 1130Ca 0.01 -0.31 -0.31 0.00 0.00 0.00 0.00 53.44 52.83 2c3y n ALA 1130Cb 0.10 -1.35 -0.17 0.00 0.00 0.00 0.00 19.45 18.03 2c3y n ALA 1130CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 2c3y s GLN 1131N -2.05 2.78 0.53 0.00 -0.21 -0.51 -0.87 119.66 119.33 2c3y s GLN 1131Ca 0.42 -0.78 0.20 0.00 0.02 0.00 0.00 55.36 55.22 2c3y s GLN 1131Cb 0.21 -2.16 1.36 0.00 1.00 0.00 0.00 33.01 33.42 2c3y s GLN 1131CO 0.37 0.10 2.10 -0.97 -2.12 0.00 0.00 175.29 174.77 2c3y h ASN 1132N 6.92 0.00 0.22 5.90 -0.73 -0.12 0.06 115.58 127.83 2c3y h ASN 1132Ca -0.24 0.00 0.00 0.00 1.87 0.00 0.00 56.30 57.93 2c3y h ASN 1132Cb 1.22 0.00 0.00 0.00 0.27 0.00 0.00 38.32 39.81 2c3y h ASN 1132CO 0.49 0.00 0.00 0.08 -0.37 0.00 0.00 177.43 177.63 2c3y h ARG 1133N 0.00 0.00 0.00 6.67 0.11 -1.71 -0.48 114.38 118.97 2c3y h ARG 1133Ca 0.09 0.00 -0.27 0.00 0.10 0.00 0.00 59.98 59.90 2c3y h ARG 1133Cb 0.35 0.00 -0.04 0.00 1.11 0.00 0.00 29.97 31.39 2c3y h ARG 1133CO -0.00 0.00 -1.92 1.19 0.10 0.00 0.00 179.97 179.34 2c3y n PHE 1134N -2.90 0.00 -0.32 4.08 3.01 -0.43 -0.13 117.46 120.77 2c3y n PHE 1134Ca -0.02 0.00 0.03 0.00 1.01 0.00 0.00 57.45 58.47 2c3y n PHE 1134Cb 0.11 -0.60 0.21 0.00 -0.01 0.00 0.00 39.48 39.19 2c3y n PHE 1134CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 2c3y h ALA 1135N -0.38 1.46 -0.49 4.37 0.00 -0.92 -2.05 119.26 121.25 2c3y h ALA 1135Ca -0.40 -0.03 0.04 0.00 0.00 0.00 0.00 54.91 54.52 2c3y h ALA 1135Cb 1.44 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 18.91 2c3y h ALA 1135CO -0.18 0.41 0.33 0.28 0.00 0.00 0.00 179.25 180.09 2c3y h VAL 1136N 1.10 1.02 -0.30 0.00 2.07 -1.33 0.03 116.25 118.85 2c3y h VAL 1136Ca 0.39 -0.17 -0.13 0.00 0.82 0.00 0.00 66.70 67.61 2c3y h VAL 1136Cb 0.14 0.47 -0.01 0.00 -1.52 0.00 0.00 31.29 30.38 2c3y h VAL 1136CO -0.14 0.09 -0.35 0.25 0.02 0.00 0.00 177.57 177.44 2c3y h LEU 1137N 0.50 0.69 -1.48 2.57 6.46 -1.60 -2.20 115.31 120.25 2c3y h LEU 1137Ca 0.20 -0.29 -0.05 0.00 -0.12 0.00 0.00 57.88 57.62 2c3y h LEU 1137Cb 0.18 -0.19 -0.01 0.00 -0.73 0.00 0.00 40.66 39.91 2c3y h LEU 1137CO -0.05 0.98 -0.24 -0.78 -0.62 0.00 0.00 178.44 177.72 2c3y h ASP 1138N 0.55 0.00 0.59 1.25 3.58 -0.87 0.35 116.42 121.87 2c3y h ASP 1138Ca 0.06 0.00 -0.28 0.00 0.42 0.00 0.00 57.03 57.23 2c3y h ASP 1138Cb 0.86 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 41.88 2c3y h ASP 1138CO 0.07 0.24 -1.45 0.03 -2.88 0.00 0.00 179.24 175.25 2c3y h ARG 1139N 0.00 0.13 0.02 0.28 3.08 -1.11 -3.20 114.38 113.58 2c3y h ARG 1139Ca -0.00 -0.21 -0.33 0.00 0.07 0.00 0.00 59.98 59.50 2c3y h ARG 1139Cb 0.56 0.08 -0.05 0.00 0.08 0.00 0.00 29.97 30.63 2c3y h ARG 1139CO 0.03 0.93 -2.02 -1.13 -1.07 0.00 0.00 179.97 176.72 2c3y n SER 1140N -3.33 0.93 -3.17 7.04 3.41 -0.85 -4.70 113.62 112.96 2c3y n SER 1140Ca -0.13 0.21 -0.23 0.00 -0.26 0.00 0.00 58.87 58.47 2c3y n SER 1140Cb 1.02 0.07 -0.06 0.00 -0.26 0.00 0.00 64.21 64.98 2c3y n SER 1140CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 2c3y n PHE 1141N -3.05 -0.49 -0.35 7.33 3.01 0.12 -5.00 117.46 119.02 2c3y n PHE 1141Ca -0.27 -3.48 0.16 0.00 1.01 0.00 0.00 57.45 54.87 2c3y n PHE 1141Cb 1.08 -0.25 0.36 0.00 -0.01 0.00 0.00 39.48 40.65 2c3y n PHE 1141CO 0.00 0.00 0.00 -1.00 1.01 0.00 0.00 176.76 176.77 2c3y h PRO 1142N 3.95 0.64 0.52 -1.08 0.13 -1.62 0.54 132.00 135.07 2c3y h PRO 1142Ca 0.06 -0.04 -0.03 0.00 -0.87 0.00 0.00 66.00 65.13 2c3y h PRO 1142Cb 0.89 -0.15 0.01 0.00 0.13 0.00 0.00 31.00 31.88 2c3y h PRO 1142CO 0.45 0.43 -0.25 0.93 -0.23 0.00 0.00 178.00 179.33 2c3y h GLU 1143N 0.66 -0.67 -0.66 0.86 5.08 -1.91 0.01 114.58 117.95 2c3y h GLU 1143Ca 0.62 0.05 0.03 0.00 -1.00 0.00 0.00 59.36 59.05 2c3y h GLU 1143Cb 1.08 0.15 -0.04 0.00 0.50 0.00 0.00 28.75 30.45 2c3y h GLU 1143CO -0.43 -0.37 0.41 -0.44 -1.00 0.00 0.00 179.01 177.18 2c3y h ASP 1144N -1.02 0.68 0.07 1.42 3.45 -1.89 -2.08 116.42 117.06 2c3y h ASP 1144Ca -0.07 -0.00 0.01 0.00 0.43 0.00 0.00 57.03 57.40 2c3y h ASP 1144Cb 0.61 -0.15 -0.02 0.00 -0.56 0.00 0.00 39.33 39.21 2c3y h ASP 1144CO 0.12 0.48 -0.15 0.00 -1.57 0.00 0.00 179.24 178.12 2c3y h ALA 1145N 1.28 -0.24 -0.62 3.45 0.00 -0.90 0.40 119.26 122.63 2c3y h ALA 1145Ca 0.26 -0.02 0.10 0.00 0.00 0.00 0.00 54.91 55.25 2c3y h ALA 1145Cb 0.00 0.24 -0.07 0.00 0.00 0.00 0.00 17.79 17.96 2c3y h ALA 1145CO -0.10 -0.66 0.23 -0.22 0.00 0.00 0.00 179.25 178.50 2c3y h LYS 1146N -0.29 0.40 -0.51 0.00 3.64 -0.75 0.24 116.57 119.29 2c3y h LYS 1146Ca 0.03 -0.02 -0.09 0.00 -1.27 0.00 0.00 60.65 59.29 2c3y h LYS 1146Cb 0.31 -0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 32.02 2c3y h LYS 1146CO -0.09 0.26 -0.06 -0.09 -2.27 0.00 0.00 179.45 177.20 2c3y h ARG 1147N 0.41 0.91 -0.13 1.90 9.65 -0.82 -2.25 114.38 124.04 2c3y h ARG 1147Ca 0.32 -0.29 -0.14 0.00 -1.10 0.00 0.00 59.98 58.76 2c3y h ARG 1147Cb 0.40 -0.08 -0.01 0.00 -1.39 0.00 0.00 29.97 28.89 2c3y h ARG 1147CO -0.32 0.94 -0.53 -0.07 2.80 0.00 0.00 179.97 182.79 2c3y h LEU 1148N 0.83 0.42 -0.73 3.80 3.38 0.89 -1.59 115.31 122.31 2c3y h LEU 1148Ca 0.14 -0.22 -0.13 0.00 0.09 0.00 0.00 57.88 57.76 2c3y h LEU 1148Cb 0.57 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 41.19 2c3y h LEU 1148CO 0.03 0.87 -0.61 0.03 0.09 0.00 0.00 178.44 178.85 2c3y h ARG 1149N 0.29 0.08 -0.64 1.13 3.08 -0.92 -2.14 114.38 115.26 2c3y h ARG 1149Ca 0.01 -0.06 -0.09 0.00 0.07 0.00 0.00 59.98 59.91 2c3y h ARG 1149Cb 1.03 0.01 -0.02 0.00 0.08 0.00 0.00 29.97 31.07 2c3y h ARG 1149CO 0.09 0.67 0.06 0.00 -1.07 0.00 0.00 179.97 179.72 2c3y h ALA 1150N 1.32 0.89 -0.62 0.04 0.00 -1.11 -2.11 119.26 117.68 2c3y h ALA 1150Ca -0.01 -0.29 -0.05 0.00 0.00 0.00 0.00 54.91 54.56 2c3y h ALA 1150Cb 1.09 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 18.62 2c3y h ALA 1150CO 0.08 0.67 0.18 0.37 0.00 0.00 0.00 179.25 180.55 2c3y h GLN 1151N 1.00 0.97 -0.77 0.00 4.15 -0.92 -1.29 115.11 118.26 2c3y h GLN 1151Ca 0.19 -0.22 -0.02 0.00 0.77 0.00 0.00 58.65 59.37 2c3y h GLN 1151Cb 0.49 -0.14 -0.04 0.00 0.21 0.00 0.00 27.48 28.01 2c3y h GLN 1151CO 0.02 0.87 0.39 0.28 -1.93 0.00 0.00 178.83 178.46 2c3y h VAL 1152N 0.89 1.24 -0.32 2.39 2.07 -1.19 0.34 116.25 121.67 2c3y h VAL 1152Ca 0.20 -0.64 -0.06 0.00 0.82 0.00 0.00 66.70 67.02 2c3y h VAL 1152Cb 0.31 0.25 -0.02 0.00 -1.52 0.00 0.00 31.29 30.31 2c3y h VAL 1152CO -0.00 0.28 -0.04 0.00 0.02 0.00 0.00 177.57 177.82 2c3y h ALA 1153N 1.20 1.34 0.03 1.67 0.00 -1.05 -0.89 119.26 121.56 2c3y h ALA 1153Ca 0.27 -0.22 -0.27 0.00 0.00 0.00 0.00 54.91 54.69 2c3y h ALA 1153Cb 0.09 -0.14 0.02 0.00 0.00 0.00 0.00 17.79 17.76 2c3y h ALA 1153CO -0.04 0.45 -1.08 1.25 0.00 0.00 0.00 179.25 179.84 2c3y h HIS 1154N 0.48 1.03 -0.52 0.00 6.17 -0.46 -2.64 115.15 119.20 2c3y h HIS 1154Ca 0.10 -0.58 -0.01 0.00 0.71 0.00 0.00 60.37 60.59 2c3y h HIS 1154Cb 0.38 -0.11 -0.02 0.00 2.52 0.00 0.00 27.41 30.17 2c3y h HIS 1154CO 0.01 1.42 0.30 0.93 0.71 0.00 0.00 177.93 181.30 2c3y h GLU 1155N 0.34 0.71 0.00 5.26 5.08 -0.02 -1.56 114.58 124.39 2c3y h GLU 1155Ca -0.14 -0.07 -0.07 0.00 -1.00 0.00 0.00 59.36 58.07 2c3y h GLU 1155Cb 1.74 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 30.83 2c3y h GLU 1155CO 0.21 0.53 -0.34 1.37 -1.00 0.00 0.00 179.01 179.77 2c3y h LEU 1156N 0.69 0.00 -0.19 1.33 8.10 -1.24 -0.71 115.31 123.29 2c3y h LEU 1156Ca 0.18 0.00 -0.10 0.00 0.11 0.00 0.00 57.88 58.08 2c3y h LEU 1156Cb 0.01 0.00 -0.00 0.00 -0.44 0.00 0.00 40.66 40.23 2c3y h LEU 1156CO -0.03 0.34 -0.26 -0.78 -4.11 0.00 0.00 178.44 173.60 2c3y h ASP 1157N 0.00 0.57 -0.15 0.17 3.58 -1.07 -1.72 116.42 117.80 2c3y h ASP 1157Ca -0.00 -0.51 -0.02 0.00 0.42 0.00 0.00 57.03 56.91 2c3y h ASP 1157Cb 0.90 -0.16 -0.01 0.00 1.72 0.00 0.00 39.33 41.79 2c3y h ASP 1157CO 0.04 0.97 0.01 0.58 -2.88 0.00 0.00 179.24 177.96 2c3y h VAL 1158N 0.18 1.24 -0.94 2.25 2.07 -1.16 -2.67 116.25 117.23 2c3y h VAL 1158Ca 0.02 -0.80 0.01 0.00 0.82 0.00 0.00 66.70 66.75 2c3y h VAL 1158Cb 0.83 1.48 -0.05 0.00 -1.52 0.00 0.00 31.29 32.04 2c3y h VAL 1158CO 0.06 0.24 0.61 -0.09 0.02 0.00 0.00 177.57 178.41 2c3y h ARG 1159N 0.01 1.25 -0.42 1.57 2.43 -1.15 -0.44 114.38 117.63 2c3y h ARG 1159Ca 0.04 -0.09 -0.08 0.00 -0.81 0.00 0.00 59.98 59.04 2c3y h ARG 1159Cb 0.35 -0.28 -0.02 0.00 -0.42 0.00 0.00 29.97 29.61 2c3y h ARG 1159CO 0.01 0.84 -0.08 0.35 -1.51 0.00 0.00 179.97 179.57 2c3y h PHE 1160N 1.28 0.79 -0.26 2.20 3.57 -1.28 0.19 116.94 123.42 2c3y h PHE 1160Ca 0.34 -0.13 -0.09 0.00 3.53 0.00 0.00 57.97 61.62 2c3y h PHE 1160Cb -0.12 -0.21 -0.01 0.00 2.79 0.00 0.00 35.95 38.39 2c3y h PHE 1160CO -0.00 0.78 -0.23 0.87 -2.23 0.00 0.00 178.31 177.50 2c3y h LYS 1161N 0.67 0.49 -0.40 1.11 1.57 -1.05 -0.00 116.57 118.95 2c3y h LYS 1161Ca 0.12 -0.18 -0.12 0.00 -1.87 0.00 0.00 60.65 58.60 2c3y h LYS 1161Cb 0.53 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.80 2c3y h LYS 1161CO 0.03 0.69 -0.23 0.93 -0.57 0.00 0.00 179.45 180.30 2c3y h GLU 1162N 0.43 0.80 -0.27 3.15 5.08 -0.33 0.62 114.58 124.07 2c3y h GLU 1162Ca 0.07 -0.33 -0.03 0.00 -1.00 0.00 0.00 59.36 58.07 2c3y h GLU 1162Cb 0.64 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.85 2c3y h GLU 1162CO 0.05 0.95 0.05 -0.07 -1.00 0.00 0.00 179.01 178.99 2c3y h LEU 1163N 0.70 0.42 -0.99 1.33 3.38 -0.43 -0.01 115.31 119.71 2c3y h LEU 1163Ca 0.09 -0.25 0.04 0.00 0.09 0.00 0.00 57.88 57.85 2c3y h LEU 1163Cb 0.75 -0.11 -0.06 0.00 0.09 0.00 0.00 40.66 41.33 2c3y h LEU 1163CO 0.06 0.56 0.65 -0.33 0.09 0.00 0.00 178.44 179.47 2c3y h GLU 1164N 0.25 1.21 -0.36 1.13 5.08 -0.82 0.20 114.58 121.27 2c3y h GLU 1164Ca 0.08 -0.07 0.07 0.00 -1.00 0.00 0.00 59.36 58.44 2c3y h GLU 1164Cb 0.32 -0.27 -0.06 0.00 0.50 0.00 0.00 28.75 29.23 2c3y h GLU 1164CO 0.00 0.80 -0.05 1.25 -1.00 0.00 0.00 179.01 180.02 2c3y h HIS 1165N 1.25 -0.11 -0.59 4.33 2.76 -0.19 -0.27 115.15 122.33 2c3y h HIS 1165Ca 0.39 0.03 -0.07 0.00 -2.20 0.00 0.00 60.37 58.53 2c3y h HIS 1165Cb -0.00 0.10 -0.03 0.00 1.55 0.00 0.00 27.41 29.04 2c3y h HIS 1165CO -0.00 -0.12 0.10 0.52 -1.30 0.00 0.00 177.93 177.14 2c3y h MET 1166N 0.05 0.95 0.00 5.26 2.86 0.47 -2.58 114.93 121.93 2c3y h MET 1166Ca 0.18 -0.23 -0.02 0.00 -2.06 0.00 0.00 59.70 57.57 2c3y h MET 1166Cb 0.26 -0.12 -0.00 0.00 0.06 0.00 0.00 31.60 31.79 2c3y h MET 1166CO -0.34 0.87 -0.11 0.00 1.06 0.00 0.00 176.91 178.40 2c3y h ALA 1167N 1.21 1.37 -0.52 6.32 0.00 0.95 -2.56 119.26 126.03 2c3y h ALA 1167Ca 0.19 -0.10 -0.22 0.00 0.00 0.00 0.00 54.91 54.78 2c3y h ALA 1167Cb 0.38 -0.02 -0.13 0.00 0.00 0.00 0.00 17.79 18.02 2c3y h ALA 1167CO 0.01 0.14 0.13 0.00 0.00 0.00 0.00 179.25 179.52 2c3y n ALA 1168N -2.31 4.38 -1.98 0.00 0.00 -0.32 -5.01 120.51 115.27 2c3y n ALA 1168Ca -0.02 -2.85 -0.34 0.00 0.00 0.00 0.00 53.44 50.23 2c3y n ALA 1168Cb 0.21 -0.94 -0.06 0.00 0.00 0.00 0.00 19.45 18.66 2c3y n ALA 1168CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.50 177.42 2c3y s THR 1169N -3.15 4.50 -1.28 0.00 -1.32 -0.97 -4.96 115.64 108.46 2c3y s THR 1169Ca 0.48 1.31 0.16 0.00 -1.21 0.00 0.00 61.69 62.43 2c3y s THR 1169Cb 0.41 -3.73 0.46 0.00 -1.51 0.00 0.00 72.50 68.14 2c3y s THR 1169CO 0.05 -0.09 1.39 -0.46 -2.21 0.00 0.00 174.62 173.30 2c3y n ASN 1170N -0.06 3.44 -4.25 8.08 0.23 -1.26 -4.88 115.26 116.56 2c3y n ASN 1170Ca 0.03 -2.07 -0.38 0.00 -0.53 0.00 0.00 54.58 51.64 2c3y n ASN 1170Cb 0.52 -0.36 -0.12 0.00 -2.08 0.00 0.00 39.78 37.75 2c3y n ASN 1170CO 0.00 0.00 0.00 -0.63 -0.93 0.00 0.00 177.26 175.70 2c3y s ILE 1171N -1.12 3.75 -0.17 1.53 1.01 -1.26 -5.08 121.20 119.85 2c3y s ILE 1171Ca 0.35 -1.26 -0.03 0.00 0.00 0.00 0.00 60.65 59.71 2c3y s ILE 1171Cb 0.19 -3.18 -0.01 0.00 0.01 0.00 0.00 42.46 39.46 2c3y s ILE 1171CO 0.22 -0.26 -0.07 -0.36 0.00 0.00 0.00 174.94 174.47 2c3y s PHE 1172N 1.37 2.92 -0.13 3.97 0.08 -1.26 -4.96 117.98 119.98 2c3y s PHE 1172Ca -0.01 -0.69 -0.27 0.00 0.12 0.00 0.00 56.93 56.09 2c3y s PHE 1172Cb -0.20 -1.98 -0.01 0.00 -0.57 0.00 0.00 43.02 40.25 2c3y s PHE 1172CO 0.02 -0.31 0.91 -1.21 -0.10 0.00 0.00 175.22 174.53 2c3y s GLU 1173N 0.83 4.37 1.10 0.44 2.02 -1.26 -5.03 118.70 121.17 2c3y s GLU 1173Ca -0.02 1.20 -0.17 0.00 0.02 0.00 0.00 54.97 56.00 2c3y s GLU 1173Cb -0.15 -3.55 0.12 0.00 0.10 0.00 0.00 34.13 30.66 2c3y s GLU 1173CO 0.01 -0.29 0.23 0.45 0.02 0.00 0.00 175.26 175.68 2c3y n SER 1174N 5.01 -2.19 -3.69 -0.19 2.88 -1.26 -4.60 113.62 109.59 2c3y n SER 1174Ca 0.06 -0.05 -0.11 0.00 -1.33 0.00 0.00 58.87 57.45 2c3y n SER 1174Cb 0.49 -1.05 -0.10 0.00 -0.75 0.00 0.00 64.21 62.80 2c3y n SER 1174CO 0.00 0.00 0.00 0.12 -1.23 0.00 0.00 175.04 173.93 2c3y s PHE 1175N -2.29 -0.65 -0.20 0.66 5.36 -1.26 -4.86 117.98 114.73 2c3y s PHE 1175Ca 0.58 1.42 -0.06 0.00 -0.96 0.00 0.00 56.93 57.91 2c3y s PHE 1175Cb -0.15 0.30 0.10 0.00 -0.34 0.00 0.00 43.02 42.92 2c3y s PHE 1175CO 0.66 -0.35 0.41 0.00 -1.46 0.00 0.00 175.22 174.48 2c3y s ALA 1176N 1.11 -1.13 0.22 11.12 0.00 -1.26 -4.80 121.76 127.02 2c3y s ALA 1176Ca -0.07 1.41 -0.07 0.00 0.00 0.00 0.00 51.96 53.23 2c3y s ALA 1176Cb -0.06 -1.36 0.35 0.00 0.00 0.00 0.00 23.12 22.05 2c3y s ALA 1176CO -0.10 -0.81 1.74 -1.35 0.00 0.00 0.00 175.76 175.24 2c3y h PRO 1177N 8.18 0.42 0.00 0.00 0.11 -2.00 -3.47 132.00 135.24 2c3y h PRO 1177Ca -0.16 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.92 2c3y h PRO 1177Cb 1.11 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.13 2c3y h PRO 1177CO 0.14 0.28 0.00 0.00 -0.21 0.00 0.00 178.00 178.20 2c3y n ALA 1178N -2.49 0.00 -0.07 -0.75 0.00 -1.26 -5.12 120.51 110.82 2c3y n ALA 1178Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.55 2c3y n ALA 1178Cb 0.33 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.78 2c3y n ALA 1178CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2c3y n GLY 1179N 0.00 0.66 0.00 0.00 0.00 -1.26 -5.07 105.19 99.52 2c3y n GLY 1179Ca 0.00 -0.64 0.00 0.00 0.00 0.00 0.00 46.02 45.38 2c3y n GLY 1179CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2c3y n GLY 1180N -0.03 0.04 6.51 -0.02 0.00 -1.26 -5.10 105.19 105.32 2c3y n GLY 1180Ca 0.00 -0.42 0.00 0.00 0.00 0.00 0.00 46.02 45.60 2c3y n GLY 1180CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2c3y n LYS 1181N 0.00 0.00 -1.21 1.61 5.02 -1.26 -4.98 118.16 117.34 2c3y n LYS 1181Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 2c3y n LYS 1181Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.01 2c3y n LYS 1181CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2c3y n ALA 1182N 3.93 -1.96 -1.74 7.82 0.00 -1.26 -4.91 120.51 122.39 2c3y n ALA 1182Ca 0.00 0.33 -0.37 0.00 0.00 0.00 0.00 53.44 53.40 2c3y n ALA 1182Cb 0.00 -1.17 0.05 0.00 0.00 0.00 0.00 19.45 18.33 2c3y n ALA 1182CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2c3y s ASP 1183N -2.70 4.93 0.00 0.00 1.11 -1.26 -4.91 116.67 113.83 2c3y s ASP 1183Ca 0.00 2.65 0.00 0.00 0.18 0.00 0.00 52.55 55.38 2c3y s ASP 1183Cb 0.00 -2.62 0.00 0.00 1.07 0.00 0.00 42.92 41.37 2c3y s ASP 1183CO 0.00 -1.79 0.00 0.61 1.18 0.00 0.00 175.17 175.17 2c3y n GLY 1184N 0.79 3.06 3.20 0.21 0.00 -1.26 -5.13 105.19 106.05 2c3y n GLY 1184Ca 0.14 -1.93 -0.12 0.00 0.00 0.00 0.00 46.02 44.11 2c3y n GLY 1184CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2c3y s SER 1185N 0.00 0.68 -0.15 1.61 1.04 -1.26 -5.16 113.70 110.46 2c3y s SER 1185Ca 0.00 -1.21 -0.13 0.00 0.48 0.00 0.00 55.95 55.08 2c3y s SER 1185Cb 0.00 0.23 0.04 0.00 0.10 0.00 0.00 66.02 66.39 2c3y s SER 1185CO 0.00 -0.68 0.40 0.54 0.98 0.00 0.00 173.24 174.49 2c3y s VAL 1186N -3.89 -0.00 0.23 5.02 0.11 -1.26 -5.15 120.40 115.45 2c3y s VAL 1186Ca 0.26 0.02 -0.25 0.00 -2.93 0.00 0.00 61.98 59.08 2c3y s VAL 1186Cb 0.07 -0.57 -0.09 0.00 -1.53 0.00 0.00 36.38 34.27 2c3y s VAL 1186CO 0.04 0.01 0.82 -0.62 -3.33 0.00 0.00 175.10 172.02 2c3y s ASP 1187N 0.41 7.32 0.22 3.54 -1.08 -1.26 -4.94 116.67 120.88 2c3y s ASP 1187Ca -0.02 1.67 0.17 0.00 -0.52 0.00 0.00 52.55 53.85 2c3y s ASP 1187Cb -0.04 -2.51 0.86 0.00 -1.46 0.00 0.00 42.92 39.78 2c3y s ASP 1187CO -0.02 0.09 1.52 2.22 0.52 0.00 0.00 175.17 179.51 2c3y n PHE 1188N 1.11 0.55 1.00 -5.34 1.16 -1.26 -2.02 117.46 112.66 2c3y n PHE 1188Ca -0.03 0.27 0.10 0.00 -1.87 0.00 0.00 57.45 55.93 2c3y n PHE 1188Cb 0.49 -0.93 -0.10 0.00 -1.61 0.00 0.00 39.48 37.33 2c3y n PHE 1188CO 0.00 0.00 0.00 0.41 -1.87 0.00 0.00 176.76 175.30 2c3y n GLY 1189N -1.02 -0.89 3.68 4.97 0.00 -1.26 -4.87 105.19 105.80 2c3y n GLY 1189Ca -0.00 -0.60 -0.45 0.00 0.00 0.00 0.00 46.02 44.96 2c3y n GLY 1189CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2c3y n GLU 1190N -1.34 2.46 -0.97 1.61 1.02 -0.86 -1.86 120.64 120.70 2c3y n GLU 1190Ca 0.05 0.90 0.00 0.00 -0.02 0.00 0.00 57.16 58.09 2c3y n GLU 1190Cb 0.34 -2.77 0.00 0.00 -0.02 0.00 0.00 31.44 28.99 2c3y n GLU 1190CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2c3y n GLY 1191N 4.29 0.38 3.77 0.62 0.00 -1.26 -5.00 105.19 108.00 2c3y n GLY 1191Ca 0.20 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.82 2c3y n GLY 1191CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2c3y s ALA 1192N -1.88 3.36 0.25 4.61 0.00 -0.78 -4.92 121.76 122.41 2c3y s ALA 1192Ca 0.00 1.31 0.20 0.00 0.00 0.00 0.00 51.96 53.46 2c3y s ALA 1192Cb 0.00 -3.51 0.84 0.00 0.00 0.00 0.00 23.12 20.45 2c3y s ALA 1192CO 0.00 -0.84 1.81 0.93 0.00 0.00 0.00 175.76 177.66 2c3y h GLU 1193N 2.87 0.00 -5.30 0.00 3.07 -1.94 -3.45 114.58 109.83 2c3y h GLU 1193Ca -0.50 0.00 -0.47 0.00 -0.50 0.00 0.00 59.36 57.90 2c3y h GLU 1193Cb 1.24 0.00 -0.14 0.00 -0.84 0.00 0.00 28.75 29.01 2c3y h GLU 1193CO 0.63 0.32 -0.64 -0.06 -1.40 0.00 0.00 179.01 177.87 2c3y s PHE 1194N -3.82 1.90 0.40 4.33 0.40 -1.26 -4.51 117.98 115.42 2c3y s PHE 1194Ca -0.01 -0.86 -0.27 0.00 -0.60 0.00 0.00 56.93 55.19 2c3y s PHE 1194Cb 0.12 -1.17 -0.10 0.00 0.51 0.00 0.00 43.02 42.37 2c3y s PHE 1194CO 0.67 0.10 1.41 0.00 0.70 0.00 0.00 175.22 178.10 2c3y n THR 1196N 0.15 0.13 -4.15 0.00 -1.04 -1.26 -4.97 114.28 103.15 2c3y n THR 1196Ca 0.04 -0.56 -0.15 0.00 -2.04 0.00 0.00 64.05 61.33 2c3y n THR 1196Cb 0.39 1.03 -0.11 0.00 -1.82 0.00 0.00 70.33 69.82 2c3y n THR 1196CO 0.00 0.00 0.00 -0.13 -0.64 0.00 0.00 175.07 174.30 2c3y s ARG 1197N -0.50 0.76 0.47 -2.82 0.52 -1.26 -5.01 118.95 111.11 2c3y s ARG 1197Ca 0.07 -1.02 -0.02 0.00 -0.52 0.00 0.00 55.73 54.23 2c3y s ARG 1197Cb 0.04 -0.52 0.10 0.00 0.52 0.00 0.00 34.95 35.09 2c3y s ARG 1197CO 0.06 0.09 0.64 -0.40 0.02 0.00 0.00 175.30 175.72 2c3y n ASP 1198N 0.91 0.66 -0.92 0.23 3.85 -1.26 -4.99 116.55 115.02 2c3y n ASP 1198Ca -0.19 -1.60 0.05 0.00 -0.71 0.00 0.00 54.79 52.34 2c3y n ASP 1198Cb 0.56 -0.44 0.18 0.00 -1.35 0.00 0.00 41.12 40.08 2c3y n ASP 1198CO 0.00 0.00 0.00 0.47 -1.01 0.00 0.00 177.20 176.66 2c3y n ASP 1199N -3.06 2.62 -4.87 -1.12 8.00 -1.26 -4.83 116.55 112.02 2c3y n ASP 1199Ca 0.10 -2.22 -0.31 0.00 0.71 0.00 0.00 54.79 53.07 2c3y n ASP 1199Cb 0.35 -0.41 -0.03 0.00 -0.02 0.00 0.00 41.12 41.01 2c3y n ASP 1199CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 2c3y s THR 1200N -1.68 4.76 -0.50 -3.53 2.01 -1.26 -4.96 115.64 110.47 2c3y s THR 1200Ca 0.26 0.69 0.24 0.00 0.31 0.00 0.00 61.69 63.18 2c3y s THR 1200Cb 0.16 -3.72 0.25 0.00 0.01 0.00 0.00 72.50 69.20 2c3y s THR 1200CO 0.12 -0.51 1.71 -0.81 -0.69 0.00 0.00 174.62 174.44 2c3y n PRO 1201N -1.26 0.19 0.13 4.92 -0.04 -1.26 -2.77 135.00 134.91 2c3y n PRO 1201Ca 0.03 0.41 -0.02 0.00 -0.04 0.00 0.00 63.50 63.88 2c3y n PRO 1201Cb 0.54 -1.87 0.15 0.00 -0.04 0.00 0.00 33.50 32.28 2c3y n PRO 1201CO 0.00 0.00 0.00 0.52 -0.04 0.00 0.00 175.50 175.98 2c3y h MET 1202N 0.00 0.03 -0.01 0.54 2.86 -1.96 -3.18 114.93 113.21 2c3y h MET 1202Ca 0.00 -0.03 0.00 0.00 -2.06 0.00 0.00 59.70 57.61 2c3y h MET 1202Cb 0.38 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.04 2c3y h MET 1202CO 0.00 0.66 -0.64 -1.33 1.06 0.00 0.00 176.91 176.66 2c3y n MET 1203N -3.79 0.63 -1.75 1.72 2.81 -1.11 -4.96 117.12 110.67 2c3y n MET 1203Ca -0.01 -0.50 -0.42 0.00 -1.81 0.00 0.00 57.70 54.96 2c3y n MET 1203Cb 0.63 -1.49 -0.01 0.00 -0.71 0.00 0.00 33.22 31.64 2c3y n MET 1203CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 2c3y n ALA 1204N -0.75 2.26 -2.19 3.04 0.00 -1.19 -4.96 120.51 116.72 2c3y n ALA 1204Ca 0.07 0.36 -0.09 0.00 0.00 0.00 0.00 53.44 53.79 2c3y n ALA 1204Cb 0.39 -2.41 -0.10 0.00 0.00 0.00 0.00 19.45 17.33 2c3y n ALA 1204CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2c3y s ARG 1205N -1.20 0.87 0.30 0.00 1.81 -1.26 -5.02 118.95 114.45 2c3y s ARG 1205Ca 0.60 -1.36 0.05 0.00 -1.72 0.00 0.00 55.73 53.30 2c3y s ARG 1205Cb -0.51 0.25 0.75 0.00 -0.45 0.00 0.00 34.95 34.99 2c3y s ARG 1205CO 0.55 -0.24 1.74 -1.35 -0.68 0.00 0.00 175.30 175.33 2c3y h PRO 1206N 2.90 0.58 -0.29 3.54 0.11 -2.04 -1.74 132.00 135.06 2c3y h PRO 1206Ca -0.35 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.73 2c3y h PRO 1206Cb 1.19 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 32.17 2c3y h PRO 1206CO 0.60 0.38 0.00 -0.25 -0.21 0.00 0.00 178.00 178.52 2c3y n ASP 1207N -4.89 2.47 -4.93 -2.05 9.92 -1.26 -4.96 116.55 110.86 2c3y n ASP 1207Ca 0.23 -1.86 -0.25 0.00 -0.53 0.00 0.00 54.79 52.38 2c3y n ASP 1207Cb 0.63 -0.19 0.04 0.00 -0.64 0.00 0.00 41.12 40.96 2c3y n ASP 1207CO 0.00 0.00 0.00 -0.94 0.13 0.00 0.00 177.20 176.39 2c3y s SER 1208N -1.46 5.34 0.00 -2.24 1.04 -0.65 -4.66 113.70 111.07 2c3y s SER 1208Ca 0.35 0.50 0.00 0.00 0.48 0.00 0.00 55.95 57.27 2c3y s SER 1208Cb 0.19 -1.40 0.00 0.00 0.10 0.00 0.00 66.02 64.91 2c3y s SER 1208CO 0.28 -1.20 0.00 0.61 0.98 0.00 0.00 173.24 173.91 2c3y n GLY 1209N -2.60 1.23 3.78 7.32 0.00 -1.26 -4.86 105.19 108.79 2c3y n GLY 1209Ca 0.06 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.73 2c3y n GLY 1209CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2c3y s GLU 1210N 0.00 3.54 0.44 1.61 2.12 -1.26 -4.99 118.70 120.15 2c3y s GLU 1210Ca 0.00 1.56 -0.23 0.00 0.36 0.00 0.00 54.97 56.65 2c3y s GLU 1210Cb 0.00 -2.08 -0.08 0.00 0.26 0.00 0.00 34.13 32.23 2c3y s GLU 1210CO 0.00 -0.69 1.14 0.00 -0.54 0.00 0.00 175.26 175.18 2c3y s ALA 1211N -1.80 3.02 0.20 6.30 0.00 -1.26 -5.04 121.76 123.19 2c3y s ALA 1211Ca 0.70 0.89 -0.22 0.00 0.00 0.00 0.00 51.96 53.33 2c3y s ALA 1211Cb -0.22 -3.36 0.05 0.00 0.00 0.00 0.00 23.12 19.59 2c3y s ALA 1211CO 0.26 -0.56 0.64 0.00 0.00 0.00 0.00 175.76 176.10 2c3y s ASP 1213N -2.82 6.81 -0.07 0.00 -1.08 -1.26 -4.77 116.67 113.49 2c3y s ASP 1213Ca 0.05 0.85 0.06 0.00 -0.52 0.00 0.00 52.55 52.98 2c3y s ASP 1213Cb -0.03 -2.55 0.30 0.00 -1.46 0.00 0.00 42.92 39.18 2c3y s ASP 1213CO -0.05 -1.03 1.02 1.67 0.52 0.00 0.00 175.17 177.29 2c3y n GLN 1214N 7.25 2.31 -2.25 4.34 7.27 -1.26 -0.56 117.38 134.47 2c3y n GLN 1214Ca 0.12 -1.15 -0.18 0.00 0.07 0.00 0.00 57.00 55.86 2c3y n GLN 1214Cb 0.48 -1.68 -0.02 0.00 2.41 0.00 0.00 30.24 31.43 2c3y n GLN 1214CO 0.00 0.00 0.00 0.09 0.07 0.00 0.00 177.06 177.22 2c3y n ASN 1215N 0.25 -5.21 -1.07 1.69 4.13 -1.26 -4.88 115.26 108.91 2c3y n ASN 1215Ca 0.10 0.03 0.10 0.00 1.68 0.00 0.00 54.58 56.49 2c3y n ASN 1215Cb 0.54 -4.28 0.23 0.00 -1.54 0.00 0.00 39.78 34.73 2c3y n ASN 1215CO 0.00 0.00 0.00 0.54 0.28 0.00 0.00 177.26 178.08 2c3y n ARG 1216N -2.69 2.56 -0.01 3.52 1.74 -1.26 -4.23 116.66 116.28 2c3y n ARG 1216Ca -0.21 -2.32 0.01 0.00 -0.77 0.00 0.00 57.85 54.56 2c3y n ARG 1216Cb 0.65 -1.46 0.01 0.00 -1.02 0.00 0.00 32.46 30.64 2c3y n ARG 1216CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2c3y n ALA 1217N 1.28 1.83 0.00 7.54 0.00 -1.26 -5.13 120.51 124.78 2c3y n ALA 1217Ca 0.19 -1.00 0.00 0.00 0.00 0.00 0.00 53.44 52.63 2c3y n ALA 1217Cb 0.55 -0.03 0.00 0.00 0.00 0.00 0.00 19.45 19.98 2c3y n ALA 1217CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2c3y n GLY 1218N -0.45 -3.00 3.66 0.00 0.00 -1.26 -4.50 105.19 99.63 2c3y n GLY 1218Ca 0.01 -1.77 -0.30 0.00 0.00 0.00 0.00 46.02 43.96 2c3y n GLY 1218CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2c3y s THR 1219N -0.87 2.44 0.21 2.61 2.01 -1.26 -4.75 115.64 116.04 2c3y s THR 1219Ca 0.00 0.14 -0.09 0.00 0.31 0.00 0.00 61.69 62.06 2c3y s THR 1219Cb 0.00 -2.42 0.16 0.00 0.01 0.00 0.00 72.50 70.25 2c3y s THR 1219CO 0.00 -0.19 1.84 0.28 -0.69 0.00 0.00 174.62 175.86 2c3y h SER 1220N -1.82 0.70 -0.26 3.53 0.02 -1.99 0.29 113.55 114.03 2c3y h SER 1220Ca -0.50 0.01 -0.16 0.00 -0.84 0.00 0.00 61.79 60.30 2c3y h SER 1220Cb 1.28 -0.14 -0.01 0.00 0.14 0.00 0.00 62.40 63.68 2c3y h SER 1220CO 0.50 0.47 -0.43 1.05 -1.14 0.00 0.00 176.83 177.27 2c3y h GLU 1221N 0.84 0.83 -0.63 3.45 4.11 -1.98 -0.16 114.58 121.04 2c3y h GLU 1221Ca 0.30 -0.46 -0.06 0.00 0.07 0.00 0.00 59.36 59.22 2c3y h GLU 1221Cb 0.09 0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.34 2c3y h GLU 1221CO -0.14 1.09 0.17 1.96 0.07 0.00 0.00 179.01 182.16 2c3y h GLN 1222N 0.66 0.97 -0.18 1.06 4.20 -1.79 0.25 115.11 120.28 2c3y h GLN 1222Ca 0.04 -0.20 -0.15 0.00 0.06 0.00 0.00 58.65 58.40 2c3y h GLN 1222Cb 1.01 -0.14 -0.01 0.00 0.30 0.00 0.00 27.48 28.64 2c3y h GLN 1222CO 0.10 0.85 -0.53 1.96 -0.67 0.00 0.00 178.83 180.54 2c3y h GLN 1223N 0.93 0.52 -0.15 1.46 4.20 -0.82 -0.81 115.11 120.46 2c3y h GLN 1223Ca 0.20 -0.32 -0.04 0.00 0.06 0.00 0.00 58.65 58.55 2c3y h GLN 1223Cb 0.30 0.03 -0.00 0.00 0.30 0.00 0.00 27.48 28.11 2c3y h GLN 1223CO -0.00 0.92 -0.08 0.78 -0.67 0.00 0.00 178.83 179.78 2c3y h GLY 1224N 1.10 0.35 1.41 3.46 0.00 -0.45 -0.77 103.07 108.16 2c3y h GLY 1224Ca 0.01 -0.32 -0.01 0.00 0.00 0.00 0.00 47.33 47.01 2c3y h GLY 1224CO 0.10 0.29 0.30 -1.80 0.00 0.00 0.00 176.54 175.43 2c3y h ASP 1225N -0.02 0.69 -0.35 0.19 3.58 -0.48 -0.99 116.42 119.05 2c3y h ASP 1225Ca 0.03 -0.05 -0.16 0.00 0.42 0.00 0.00 57.03 57.27 2c3y h ASP 1225Cb 0.56 -0.18 -0.01 0.00 1.72 0.00 0.00 39.33 41.43 2c3y h ASP 1225CO 0.02 0.57 -0.39 0.25 -2.88 0.00 0.00 179.24 176.81 2c3y h LEU 1226N 0.79 0.97 -0.84 2.28 5.85 -1.00 -0.82 115.31 122.54 2c3y h LEU 1226Ca 0.20 -0.44 -0.01 0.00 0.84 0.00 0.00 57.88 58.47 2c3y h LEU 1226Cb 0.03 -0.27 -0.04 0.00 0.37 0.00 0.00 40.66 40.75 2c3y h LEU 1226CO -0.03 1.23 0.50 -1.28 -0.34 0.00 0.00 178.44 178.53 2c3y h SER 1227N 0.74 1.01 -0.44 1.25 0.87 -0.43 0.94 113.55 117.49 2c3y h SER 1227Ca 0.06 -0.07 -0.10 0.00 -1.23 0.00 0.00 61.79 60.45 2c3y h SER 1227Cb 0.98 -0.26 -0.02 0.00 -0.44 0.00 0.00 62.40 62.67 2c3y h SER 1227CO 0.09 0.78 -0.09 0.50 -0.53 0.00 0.00 176.83 177.58 2c3y h LYS 1228N 1.15 0.90 0.00 2.24 3.64 -1.00 -2.94 116.57 120.56 2c3y h LYS 1228Ca 0.30 -0.31 -0.09 0.00 -1.27 0.00 0.00 60.65 59.29 2c3y h LYS 1228Cb -0.04 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 31.70 2c3y h LYS 1228CO -0.06 0.95 -0.41 0.00 -2.27 0.00 0.00 179.45 177.67 2c3y h ARG 1229N 0.81 0.00 0.00 1.90 3.08 -0.42 -2.87 114.38 116.88 2c3y h ARG 1229Ca 0.13 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.18 2c3y h ARG 1229Cb 0.61 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.66 2c3y h ARG 1229CO 0.04 0.41 0.00 0.25 -1.07 0.00 0.00 179.97 179.60 2c3y n THR 1230N -3.44 0.14 0.00 2.04 -2.24 0.26 -4.96 114.28 106.07 2c3y n THR 1230Ca 0.00 -0.03 0.00 0.00 -2.27 0.00 0.00 64.05 61.76 2c3y n THR 1230Cb 0.57 -0.54 0.00 0.00 -2.10 0.00 0.00 70.33 68.25 2c3y n THR 1230CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 2c3y n LYS 1231N -1.61 0.00 -0.30 -0.78 4.76 -1.09 -5.09 118.16 114.05 2c3y n LYS 1231Ca 0.07 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.51 2c3y n LYS 1231Cb 0.34 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.53 2c3y n LYS 1231CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66