#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jye s LEU 63 N 0.00 0.83 0.24 -1.96 2.96 -1.26 -1.25 118.68 118.24 1jye s LEU 63 Ca 0.00 0.21 0.10 0.00 -0.22 0.00 0.00 54.13 54.22 1jye s LEU 63 Cb 0.00 0.21 -0.05 0.00 0.50 0.00 0.00 46.19 46.85 1jye s LEU 63 CO 0.00 -0.14 -0.18 0.27 -1.32 0.00 0.00 176.35 174.97 1jye s ILE 64 N 1.15 2.16 0.06 6.68 -4.36 -0.35 -1.24 121.20 125.30 1jye s ILE 64 Ca -0.09 -2.26 0.09 0.00 -0.26 0.00 0.00 60.65 58.13 1jye s ILE 64 Cb -0.12 -2.15 -0.03 0.00 1.25 0.00 0.00 42.46 41.40 1jye s ILE 64 CO -0.05 -0.43 -0.25 -0.83 0.24 0.00 0.00 174.94 173.62 1jye s GLY 65 N -3.28 1.47 -0.11 6.27 0.00 0.32 -0.86 107.32 111.13 1jye s GLY 65 Ca 0.25 -1.31 0.01 0.00 0.00 0.00 0.00 44.72 43.67 1jye s GLY 65 CO 0.11 -1.21 -0.12 0.14 0.00 0.00 0.00 173.10 172.01 1jye s VAL 66 N -0.88 1.34 -0.29 1.40 1.01 0.24 -0.69 120.40 122.54 1jye s VAL 66 Ca 0.13 -0.52 -0.10 0.00 0.00 0.00 0.00 61.98 61.48 1jye s VAL 66 Cb -0.10 -1.27 -0.03 0.00 0.00 0.00 0.00 36.38 34.98 1jye s VAL 66 CO 0.03 0.41 0.16 0.00 0.00 0.00 0.00 175.10 175.71 1jye s ALA 67 N 1.27 3.40 0.09 5.51 0.00 -0.51 -0.50 121.76 131.02 1jye s ALA 67 Ca -0.01 -1.20 0.04 0.00 0.00 0.00 0.00 51.96 50.78 1jye s ALA 67 Cb -0.14 -2.40 -0.03 0.00 0.00 0.00 0.00 23.12 20.55 1jye s ALA 67 CO -0.05 -0.67 -0.10 -0.08 0.00 0.00 0.00 175.76 174.86 1jye s THR 68 N 1.69 0.90 0.95 0.00 -1.32 -0.00 -0.09 115.64 117.78 1jye s THR 68 Ca 0.06 -1.55 -0.12 0.00 -1.21 0.00 0.00 61.69 58.88 1jye s THR 68 Cb -0.16 -1.25 0.16 0.00 -1.51 0.00 0.00 72.50 69.74 1jye s THR 68 CO 0.08 -0.51 1.09 -0.44 -2.21 0.00 0.00 174.62 172.63 1jye s SER 69 N -2.29 2.90 0.13 8.08 0.01 -0.32 -1.22 113.70 120.99 1jye s SER 69 Ca 0.03 1.56 -0.35 0.00 1.31 0.00 0.00 55.95 58.50 1jye s SER 69 Cb -0.04 -2.22 -0.16 0.00 0.21 0.00 0.00 66.02 63.81 1jye s SER 69 CO 0.00 -3.01 1.31 -0.24 0.41 0.00 0.00 173.24 171.71 1jye n SER 70 N -4.13 1.76 0.00 2.44 2.88 -1.26 -4.80 113.62 110.51 1jye n SER 70 Ca 0.07 1.12 0.14 0.00 -1.33 0.00 0.00 58.87 58.87 1jye n SER 70 Cb 0.55 -1.24 0.80 0.00 -0.75 0.00 0.00 64.21 63.57 1jye n SER 70 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 1jye n LEU 71 N 2.41 0.00 0.23 2.46 4.77 -1.26 -2.24 117.00 123.37 1jye n LEU 71 Ca 0.17 0.06 0.15 0.00 -0.03 0.00 0.00 56.01 56.36 1jye n LEU 71 Cb 0.23 -0.06 0.47 0.00 -2.33 0.00 0.00 43.42 41.72 1jye n LEU 71 CO 0.62 -0.01 0.91 0.00 -1.33 0.00 0.00 177.39 177.58 1jye h ALA 72 N 3.65 1.00 -2.67 -1.18 0.00 -1.99 -3.40 119.26 114.67 1jye h ALA 72 Ca 0.00 0.00 -0.53 0.00 0.00 0.00 0.00 54.91 54.38 1jye h ALA 72 Cb 0.05 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 17.81 1jye h ALA 72 CO 0.00 0.00 0.14 -0.51 0.00 0.00 0.00 179.25 178.88 1jye s LEU 73 N -5.94 4.52 0.07 0.00 1.43 -0.95 -5.02 118.68 112.79 1jye s LEU 73 Ca 0.04 1.54 -0.32 0.00 -1.03 0.00 0.00 54.13 54.37 1jye s LEU 73 Cb 0.08 -3.32 -0.18 0.00 0.03 0.00 0.00 46.19 42.79 1jye s LEU 73 CO 0.58 0.17 1.64 -0.74 0.23 0.00 0.00 176.35 178.23 1jye h HIS 74 N 4.11 -0.77 -0.01 0.29 -0.00 -1.88 -2.70 115.15 114.20 1jye h HIS 74 Ca -0.48 -0.02 0.03 0.00 -0.00 0.00 0.00 60.37 59.91 1jye h HIS 74 Cb 1.20 0.26 -0.04 0.00 -0.00 0.00 0.00 27.41 28.83 1jye h HIS 74 CO 0.64 -0.47 -0.23 0.00 -0.00 0.00 0.00 177.93 177.87 1jye h ALA 75 N -0.40 -0.29 -0.79 5.26 0.00 -1.95 -1.58 119.26 119.51 1jye h ALA 75 Ca -0.08 0.00 0.07 0.00 0.00 0.00 0.00 54.91 54.90 1jye h ALA 75 Cb 0.63 0.41 -0.06 0.00 0.00 0.00 0.00 17.79 18.76 1jye h ALA 75 CO 0.13 -0.72 0.47 -1.35 0.00 0.00 0.00 179.25 177.77 1jye h PRO 76 N -0.35 0.82 -0.37 0.00 0.11 -1.84 -1.65 132.00 128.72 1jye h PRO 76 Ca 0.07 -0.05 -0.06 0.00 0.11 0.00 0.00 66.00 66.07 1jye h PRO 76 Cb 0.44 -0.18 -0.02 0.00 0.11 0.00 0.00 31.00 31.35 1jye h PRO 76 CO -0.22 0.54 -0.01 0.66 -0.21 0.00 0.00 178.00 178.76 1jye h SER 77 N 0.84 0.56 -0.38 -2.05 4.64 -1.12 -0.48 113.55 115.57 1jye h SER 77 Ca 0.35 -0.12 -0.13 0.00 -0.47 0.00 0.00 61.79 61.42 1jye h SER 77 Cb 0.21 -0.15 -0.01 0.00 -0.31 0.00 0.00 62.40 62.15 1jye h SER 77 CO -0.19 0.64 -0.28 1.56 -0.87 0.00 0.00 176.83 177.69 1jye h GLN 78 N 0.56 0.85 -0.06 4.77 1.08 -0.62 -1.33 115.11 120.36 1jye h GLN 78 Ca 0.12 -0.42 -0.01 0.00 -1.45 0.00 0.00 58.65 56.89 1jye h GLN 78 Cb 0.38 -0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 27.81 1jye h GLN 78 CO 0.01 1.06 0.01 0.82 -0.95 0.00 0.00 178.83 179.79 1jye h ILE 79 N 0.66 1.19 -0.34 2.54 2.04 -1.00 -2.53 117.51 120.06 1jye h ILE 79 Ca 0.07 -0.57 -0.05 0.00 1.00 0.00 0.00 64.86 65.31 1jye h ILE 79 Cb 0.86 1.47 -0.02 0.00 -0.74 0.00 0.00 36.82 38.39 1jye h ILE 79 CO 0.07 0.16 -0.01 0.58 0.00 0.00 0.00 178.15 178.95 1jye h VAL 80 N -0.13 1.20 -0.52 1.67 2.07 -1.09 -0.72 116.25 118.73 1jye h VAL 80 Ca 0.02 -0.81 0.00 0.00 0.82 0.00 0.00 66.70 66.73 1jye h VAL 80 Cb 0.24 0.96 -0.03 0.00 -1.52 0.00 0.00 31.29 30.94 1jye h VAL 80 CO 0.00 0.28 0.34 0.00 0.02 0.00 0.00 177.57 178.21 1jye h ALA 81 N 1.49 0.66 -0.45 1.67 0.00 -1.13 0.53 119.26 122.02 1jye h ALA 81 Ca 0.11 -0.04 -0.09 0.00 0.00 0.00 0.00 54.91 54.89 1jye h ALA 81 Cb 0.35 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 1jye h ALA 81 CO 0.01 0.11 -0.07 0.00 0.00 0.00 0.00 179.25 179.31 1jye h ALA 82 N 1.18 1.03 -0.15 0.00 0.00 -0.96 -0.93 119.26 119.42 1jye h ALA 82 Ca 0.19 -0.30 -0.01 0.00 0.00 0.00 0.00 54.91 54.80 1jye h ALA 82 Cb -0.07 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.53 1jye h ALA 82 CO -0.04 0.59 0.07 0.82 0.00 0.00 0.00 179.25 180.70 1jye h ILE 83 N 0.72 1.12 -0.64 0.00 2.04 -0.50 -1.43 117.51 118.83 1jye h ILE 83 Ca 0.13 -0.36 -0.05 0.00 1.00 0.00 0.00 64.86 65.59 1jye h ILE 83 Cb 0.54 1.08 -0.03 0.00 -0.74 0.00 0.00 36.82 37.67 1jye h ILE 83 CO 0.03 0.12 0.22 -0.07 0.00 0.00 0.00 178.15 178.44 1jye h LEU 84 N 0.12 0.89 -0.09 1.44 3.38 -0.68 0.10 115.31 120.47 1jye h LEU 84 Ca 0.05 -0.14 -0.01 0.00 0.09 0.00 0.00 57.88 57.87 1jye h LEU 84 Cb 0.12 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 40.63 1jye h LEU 84 CO -0.01 0.82 0.02 -1.28 0.09 0.00 0.00 178.44 178.09 1jye h SER 85 N 0.94 0.13 -0.28 -0.43 0.87 -0.98 -1.74 113.55 112.05 1jye h SER 85 Ca 0.21 -0.22 -0.11 0.00 -1.23 0.00 0.00 61.79 60.45 1jye h SER 85 Cb 0.24 -0.03 -0.02 0.00 -0.44 0.00 0.00 62.40 62.15 1jye h SER 85 CO -0.01 0.31 -0.20 -0.09 -0.53 0.00 0.00 176.83 176.32 1jye h ARG 86 N -0.07 0.74 -0.37 2.24 9.65 -1.09 -1.92 114.38 123.57 1jye h ARG 86 Ca 0.03 -0.28 -0.00 0.00 -1.10 0.00 0.00 59.98 58.62 1jye h ARG 86 Cb 0.24 -0.04 -0.02 0.00 -1.39 0.00 0.00 29.97 28.75 1jye h ARG 86 CO -0.00 0.88 0.22 0.00 2.80 0.00 0.00 179.97 183.87 1jye h ALA 87 N 1.12 0.47 -0.58 2.80 0.00 -0.92 -0.91 119.26 121.25 1jye h ALA 87 Ca 0.10 -0.06 0.04 0.00 0.00 0.00 0.00 54.91 54.99 1jye h ALA 87 Cb 0.69 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 18.29 1jye h ALA 87 CO 0.05 -0.03 0.33 0.22 0.00 0.00 0.00 179.25 179.82 1jye h ASP 88 N 0.48 0.50 -0.76 0.00 -0.00 -1.11 0.15 116.42 115.67 1jye h ASP 88 Ca 0.13 0.02 0.03 0.00 -0.00 0.00 0.00 57.03 57.21 1jye h ASP 88 Cb 0.02 -0.08 -0.04 0.00 -0.00 0.00 0.00 39.33 39.23 1jye h ASP 88 CO -0.02 0.34 0.50 1.56 -0.00 0.00 0.00 179.24 181.62 1jye h GLN 89 N 0.63 0.94 -0.43 0.28 4.20 -0.75 -2.23 115.11 117.75 1jye h GLN 89 Ca 0.25 -0.06 0.00 0.00 0.06 0.00 0.00 58.65 58.90 1jye h GLN 89 Cb 0.11 -0.21 0.00 0.00 0.30 0.00 0.00 27.48 27.67 1jye h GLN 89 CO -0.14 0.62 0.00 1.28 -0.67 0.00 0.00 178.83 179.92 1jye n LEU 90 N -4.44 2.72 -1.03 1.46 4.77 -0.40 -4.95 117.00 115.13 1jye n LEU 90 Ca 0.09 -1.29 -0.08 0.00 -0.03 0.00 0.00 56.01 54.71 1jye n LEU 90 Cb 0.09 -0.28 0.00 0.00 -2.33 0.00 0.00 43.42 40.90 1jye n LEU 90 CO 0.35 0.64 -0.06 0.61 -1.33 0.00 0.00 177.39 177.60 1jye n GLY 91 N 1.33 0.11 3.37 -0.72 0.00 -0.43 -5.04 105.19 103.82 1jye n GLY 91 Ca 0.18 -0.52 -0.33 0.00 0.00 0.00 0.00 46.02 45.35 1jye n GLY 91 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jye s ALA 92 N -2.52 2.52 0.42 4.61 0.00 0.39 -4.47 121.76 122.70 1jye s ALA 92 Ca 0.04 -0.95 -0.08 0.00 0.00 0.00 0.00 51.96 50.97 1jye s ALA 92 Cb -0.02 -1.02 -0.05 0.00 0.00 0.00 0.00 23.12 22.03 1jye s ALA 92 CO 0.05 0.37 0.76 -1.12 0.00 0.00 0.00 175.76 175.82 1jye s SER 93 N -0.04 6.43 -0.07 0.00 0.01 -0.38 -3.90 113.70 115.74 1jye s SER 93 Ca -0.04 1.04 0.01 0.00 1.31 0.00 0.00 55.95 58.26 1jye s SER 93 Cb -0.14 -2.29 0.02 0.00 0.21 0.00 0.00 66.02 63.82 1jye s SER 93 CO 0.04 -0.45 -0.08 -0.69 0.41 0.00 0.00 173.24 172.48 1jye s VAL 94 N -2.48 0.86 -0.19 3.43 1.01 -1.26 -1.21 120.40 120.56 1jye s VAL 94 Ca 0.49 -0.27 -0.13 0.00 0.00 0.00 0.00 61.98 62.07 1jye s VAL 94 Cb -0.10 -0.86 -0.05 0.00 0.00 0.00 0.00 36.38 35.38 1jye s VAL 94 CO 0.36 0.31 0.29 -0.69 0.00 0.00 0.00 175.10 175.37 1jye s VAL 95 N 1.15 5.29 -0.13 2.92 1.01 -0.04 -4.99 120.40 125.62 1jye s VAL 95 Ca -0.06 0.49 0.01 0.00 0.00 0.00 0.00 61.98 62.42 1jye s VAL 95 Cb -0.14 -3.62 -0.01 0.00 0.00 0.00 0.00 36.38 32.61 1jye s VAL 95 CO -0.01 0.34 -0.16 -0.69 0.00 0.00 0.00 175.10 174.57 1jye s VAL 96 N 0.86 2.68 -0.14 2.92 1.01 -1.26 -0.59 120.40 125.87 1jye s VAL 96 Ca 0.15 -0.78 0.02 0.00 0.00 0.00 0.00 61.98 61.36 1jye s VAL 96 Cb -0.13 -2.11 0.01 0.00 0.00 0.00 0.00 36.38 34.15 1jye s VAL 96 CO 0.05 0.53 -0.21 -0.55 0.00 0.00 0.00 175.10 174.92 1jye s SER 97 N 0.54 3.03 -0.25 3.32 0.15 0.35 -4.97 113.70 115.85 1jye s SER 97 Ca -0.10 -0.59 -0.16 0.00 0.70 0.00 0.00 55.95 55.80 1jye s SER 97 Cb -0.16 -1.40 -0.04 0.00 -1.71 0.00 0.00 66.02 62.71 1jye s SER 97 CO 0.04 0.06 0.41 -0.32 1.20 0.00 0.00 173.24 174.63 1jye s MET 98 N 0.91 4.06 0.21 5.44 1.75 -1.26 -0.82 119.30 129.59 1jye s MET 98 Ca -0.05 0.13 -0.31 0.00 -1.25 0.00 0.00 55.69 54.22 1jye s MET 98 Cb -0.15 -3.63 -0.10 0.00 2.84 0.00 0.00 34.83 33.79 1jye s MET 98 CO -0.04 -0.25 1.49 0.08 -0.65 0.00 0.00 175.02 175.66 1jye s VAL 99 N 1.97 2.66 -1.45 10.11 1.01 -0.36 -4.84 120.40 129.49 1jye s VAL 99 Ca 0.17 0.51 0.00 0.00 0.00 0.00 0.00 61.98 62.66 1jye s VAL 99 Cb -0.16 -3.33 0.00 0.00 0.00 0.00 0.00 36.38 32.90 1jye s VAL 99 CO 0.09 0.06 0.43 -0.62 0.00 0.00 0.00 175.10 175.06 1jye n GLU 100 N 3.06 0.00 -0.50 2.72 1.02 -1.26 -4.69 120.64 120.99 1jye n GLU 100 Ca 0.10 0.04 0.01 0.00 -0.02 0.00 0.00 57.16 57.28 1jye n GLU 100 Cb 0.40 -1.51 -0.00 0.00 -0.02 0.00 0.00 31.44 30.30 1jye n GLU 100 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 1jye n ARG 101 N -0.93 -1.31 -2.47 3.49 1.74 -1.26 -5.05 116.66 110.87 1jye n ARG 101 Ca 0.00 1.02 -0.02 0.00 -0.77 0.00 0.00 57.85 58.08 1jye n ARG 101 Cb 0.01 -1.29 -0.02 0.00 -1.02 0.00 0.00 32.46 30.14 1jye n ARG 101 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54 1jye n SER 102 N -1.96 -5.12 0.00 0.55 7.64 -1.26 -4.91 113.62 108.55 1jye n SER 102 Ca -0.00 1.54 0.00 0.00 1.01 0.00 0.00 58.87 61.42 1jye n SER 102 Cb 0.16 -4.63 0.00 0.00 -1.01 0.00 0.00 64.21 58.74 1jye n SER 102 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1jye n GLY 103 N 1.88 3.02 0.15 0.23 0.00 -1.26 -4.65 105.19 104.56 1jye n GLY 103 Ca -0.16 -1.58 0.01 0.00 0.00 0.00 0.00 46.02 44.29 1jye n GLY 103 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 1jye h VAL 104 N 0.00 1.22 -0.55 1.61 3.04 -1.96 -3.05 116.25 116.55 1jye h VAL 104 Ca 0.00 -1.96 -0.09 0.00 -1.01 0.00 0.00 66.70 63.64 1jye h VAL 104 Cb 0.00 2.11 -0.02 0.00 -2.01 0.00 0.00 31.29 31.36 1jye h VAL 104 CO 0.00 0.53 -0.02 -0.33 -1.01 0.00 0.00 177.57 176.74 1jye h GLU 105 N 0.00 0.97 -0.60 4.17 4.39 -1.99 0.08 114.58 121.60 1jye h GLU 105 Ca -0.01 -0.30 -0.06 0.00 0.34 0.00 0.00 59.36 59.33 1jye h GLU 105 Cb 1.06 -0.09 -0.03 0.00 -0.10 0.00 0.00 28.75 29.60 1jye h GLU 105 CO 0.07 0.96 0.11 0.00 -1.16 0.00 0.00 179.01 179.00 1jye h ALA 106 N 1.08 1.08 -0.25 3.43 0.00 -1.80 -1.11 119.26 121.68 1jye h ALA 106 Ca 0.16 -0.24 -0.19 0.00 0.00 0.00 0.00 54.91 54.64 1jye h ALA 106 Cb 0.55 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.10 1jye h ALA 106 CO 0.03 0.60 -0.57 0.00 0.00 0.00 0.00 179.25 179.31 1jye h LYS 108 N 0.61 1.06 -0.52 0.00 1.57 -0.67 -0.93 116.57 117.70 1jye h LYS 108 Ca 0.01 -0.15 -0.04 0.00 -1.87 0.00 0.00 60.65 58.60 1jye h LYS 108 Cb 1.17 -0.20 -0.02 0.00 0.08 0.00 0.00 32.23 33.27 1jye h LYS 108 CO 0.12 0.82 0.17 1.15 -0.57 0.00 0.00 179.45 181.15 1jye h THR 109 N 1.06 1.23 -0.43 -0.16 2.02 -1.08 0.04 112.91 115.58 1jye h THR 109 Ca 0.26 -0.76 0.00 0.00 0.77 0.00 0.00 66.41 66.68 1jye h THR 109 Cb 0.11 0.74 -0.02 0.00 -1.74 0.00 0.00 68.15 67.24 1jye h THR 109 CO -0.03 0.28 0.29 0.00 0.37 0.00 0.00 175.52 176.42 1jye h ALA 110 N 1.03 0.55 -0.72 6.16 0.00 -0.88 -0.94 119.26 124.46 1jye h ALA 110 Ca 0.17 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.04 1jye h ALA 110 Cb 0.26 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.84 1jye h ALA 110 CO -0.01 0.01 0.42 0.28 0.00 0.00 0.00 179.25 179.95 1jye h VAL 111 N 0.59 1.21 -0.26 0.00 2.07 -0.88 -1.17 116.25 117.80 1jye h VAL 111 Ca 0.16 -0.49 0.02 0.00 0.82 0.00 0.00 66.70 67.21 1jye h VAL 111 Cb -0.06 0.23 -0.02 0.00 -1.52 0.00 0.00 31.29 29.91 1jye h VAL 111 CO -0.03 0.22 0.13 -0.74 0.02 0.00 0.00 177.57 177.18 1jye h HIS 112 N 0.99 0.25 -0.52 1.57 6.17 -0.44 -0.60 115.15 122.57 1jye h HIS 112 Ca 0.26 0.01 -0.04 0.00 0.71 0.00 0.00 60.37 61.31 1jye h HIS 112 Cb -0.01 -0.07 -0.02 0.00 2.52 0.00 0.00 27.41 29.82 1jye h HIS 112 CO -0.01 0.14 0.16 -0.91 0.71 0.00 0.00 177.93 178.03 1jye h ASN 113 N 0.28 0.72 -0.48 3.26 2.35 -0.85 -1.97 115.58 118.90 1jye h ASN 113 Ca 0.11 -0.11 -0.11 0.00 -0.55 0.00 0.00 56.30 55.63 1jye h ASN 113 Cb 0.02 -0.19 -0.01 0.00 0.05 0.00 0.00 38.32 38.19 1jye h ASN 113 CO -0.07 0.68 -0.15 -0.07 -1.65 0.00 0.00 177.43 176.17 1jye h LEU 114 N 0.76 0.96 -1.49 1.61 3.38 -0.77 -2.74 115.31 117.02 1jye h LEU 114 Ca 0.18 -0.37 -0.05 0.00 0.09 0.00 0.00 57.88 57.72 1jye h LEU 114 Cb 0.23 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.71 1jye h LEU 114 CO -0.01 1.12 -0.25 -0.07 0.09 0.00 0.00 178.44 179.32 1jye h LEU 115 N 0.79 0.01 -1.37 1.67 3.38 -0.78 -1.34 115.31 117.67 1jye h LEU 115 Ca 0.12 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.08 1jye h LEU 115 Cb 0.71 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.46 1jye h LEU 115 CO 0.05 0.26 0.00 0.00 0.09 0.00 0.00 178.44 178.84 1jye h ALA 116 N 1.74 1.00 -0.36 1.53 0.00 -1.06 -1.58 119.26 120.53 1jye h ALA 116 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1jye h ALA 116 Cb 0.45 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.24 1jye h ALA 116 CO 0.03 0.00 0.00 1.04 0.00 0.00 0.00 179.25 180.32 1jye n GLN 117 N -2.83 1.98 -3.32 0.00 1.13 -0.51 -4.94 117.38 108.89 1jye n GLN 117 Ca 0.01 -1.51 -0.19 0.00 -1.94 0.00 0.00 57.00 53.37 1jye n GLN 117 Cb 0.26 -1.37 0.06 0.00 0.11 0.00 0.00 30.24 29.30 1jye n GLN 117 CO 0.00 0.00 0.00 0.54 -1.44 0.00 0.00 177.06 176.16 1jye n ARG 118 N 0.72 -6.11 -2.48 -1.09 1.74 -0.59 -5.00 116.66 103.84 1jye n ARG 118 Ca 0.15 0.66 -0.35 0.00 -0.77 0.00 0.00 57.85 57.55 1jye n ARG 118 Cb 0.38 -5.19 -0.03 0.00 -1.02 0.00 0.00 32.46 26.60 1jye n ARG 118 CO 0.00 0.00 0.00 0.14 -1.52 0.00 0.00 177.63 176.25 1jye s VAL 119 N -3.23 3.63 -1.82 1.55 -7.23 -1.24 -4.89 120.40 107.17 1jye s VAL 119 Ca 0.45 1.08 0.18 0.00 -1.81 0.00 0.00 61.98 61.87 1jye s VAL 119 Cb -0.20 -3.47 0.37 0.00 0.56 0.00 0.00 36.38 33.65 1jye s VAL 119 CO 0.55 -0.16 1.30 -1.54 -0.31 0.00 0.00 175.10 174.93 1jye n SER 120 N -0.81 3.16 -3.58 4.85 3.41 -0.38 -4.92 113.62 115.35 1jye n SER 120 Ca 0.09 -1.91 -0.12 0.00 -0.26 0.00 0.00 58.87 56.66 1jye n SER 120 Cb 0.51 -0.24 -0.06 0.00 -0.26 0.00 0.00 64.21 64.16 1jye n SER 120 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 1jye s GLY 121 N -1.20 -0.34 -0.04 5.00 0.00 -1.26 -4.39 107.32 105.10 1jye s GLY 121 Ca 0.32 2.02 0.04 0.00 0.00 0.00 0.00 44.72 47.10 1jye s GLY 121 CO 0.25 1.28 -0.14 1.08 0.00 0.00 0.00 173.10 175.56 1jye s LEU 122 N -0.66 1.85 -0.21 0.66 1.43 0.07 -0.52 118.68 121.31 1jye s LEU 122 Ca -0.03 -0.30 -0.03 0.00 -1.03 0.00 0.00 54.13 52.75 1jye s LEU 122 Cb -0.02 -0.84 0.00 0.00 0.03 0.00 0.00 46.19 45.36 1jye s LEU 122 CO 0.02 0.12 -0.08 -0.63 0.23 0.00 0.00 176.35 176.00 1jye s ILE 123 N 0.14 3.04 -0.54 -0.59 1.01 0.14 -0.51 121.20 123.88 1jye s ILE 123 Ca -0.05 -0.62 -0.15 0.00 0.00 0.00 0.00 60.65 59.83 1jye s ILE 123 Cb -0.11 -2.37 0.13 0.00 0.01 0.00 0.00 42.46 40.12 1jye s ILE 123 CO 0.02 0.44 0.49 -0.63 0.00 0.00 0.00 174.94 175.26 1jye s ILE 124 N 1.43 5.10 -0.96 2.92 -1.09 0.12 -1.42 121.20 127.30 1jye s ILE 124 Ca 0.05 -1.56 -0.00 0.00 -2.23 0.00 0.00 60.65 56.91 1jye s ILE 124 Cb -0.14 -4.28 0.32 0.00 -1.58 0.00 0.00 42.46 36.79 1jye s ILE 124 CO -0.06 -0.86 1.68 -3.20 -1.23 0.00 0.00 174.94 171.27 1jye n ASN 125 N 5.18 6.88 -3.80 3.58 5.15 0.87 -1.05 115.26 132.07 1jye n ASN 125 Ca -0.13 -3.68 -0.13 0.00 -0.60 0.00 0.00 54.58 50.05 1jye n ASN 125 Cb 0.40 -1.08 -0.13 0.00 -0.53 0.00 0.00 39.78 38.44 1jye n ASN 125 CO 0.00 0.00 0.00 -0.47 1.40 0.00 0.00 177.26 178.19 1jye s TYR 126 N -4.16 -0.16 -0.01 1.20 5.04 -1.26 -1.18 117.35 116.83 1jye s TYR 126 Ca 0.40 0.40 -0.30 0.00 -2.44 0.00 0.00 57.07 55.14 1jye s TYR 126 Cb 0.20 0.01 -0.07 0.00 0.35 0.00 0.00 41.96 42.46 1jye s TYR 126 CO -0.12 -0.10 1.68 -1.25 -1.34 0.00 0.00 175.55 174.41 1jye s PRO 127 N 0.42 4.19 -0.01 4.97 0.04 -1.25 -4.39 135.00 138.95 1jye s PRO 127 Ca -0.03 2.26 0.01 0.00 0.04 0.00 0.00 61.00 63.28 1jye s PRO 127 Cb -0.04 -3.89 0.01 0.00 0.04 0.00 0.00 34.50 30.62 1jye s PRO 127 CO -0.02 -0.82 -0.02 -0.51 0.04 0.00 0.00 177.00 175.68 1jye s LEU 128 N 3.66 1.67 1.03 -3.56 1.43 -0.81 -4.79 118.68 117.31 1jye s LEU 128 Ca 0.75 -0.04 -0.17 0.00 -1.03 0.00 0.00 54.13 53.64 1jye s LEU 128 Cb -0.36 -0.17 0.22 0.00 0.03 0.00 0.00 46.19 45.92 1jye s LEU 128 CO 0.31 -0.02 1.27 1.51 0.23 0.00 0.00 176.35 179.65 1jye s ASP 129 N 0.37 2.52 0.10 2.29 1.47 -1.26 -4.46 116.67 117.70 1jye s ASP 129 Ca -0.03 0.35 -0.32 0.00 1.18 0.00 0.00 52.55 53.73 1jye s ASP 129 Cb -0.06 -0.44 -0.13 0.00 -0.34 0.00 0.00 42.92 41.95 1jye s ASP 129 CO -0.01 -3.11 1.52 -0.78 0.68 0.00 0.00 175.17 173.47 1jye h ASP 130 N -1.90 -1.58 -0.88 2.11 1.82 -1.99 -0.14 116.42 113.86 1jye h ASP 130 Ca -0.44 0.18 -0.02 0.00 -0.39 0.00 0.00 57.03 56.36 1jye h ASP 130 Cb 1.25 0.60 -0.04 0.00 0.68 0.00 0.00 39.33 41.82 1jye h ASP 130 CO 0.37 -0.48 0.49 1.56 -1.61 0.00 0.00 179.24 179.56 1jye h GLN 131 N -0.62 1.23 -0.32 0.28 7.50 -2.00 -2.17 115.11 119.01 1jye h GLN 131 Ca 0.01 -0.14 -0.12 0.00 0.50 0.00 0.00 58.65 58.90 1jye h GLN 131 Cb 0.67 -0.24 -0.01 0.00 0.05 0.00 0.00 27.48 27.95 1jye h GLN 131 CO -0.35 0.90 -0.30 -0.44 -1.50 0.00 0.00 178.83 177.14 1jye h ASP 132 N 1.23 0.70 -0.57 1.46 3.32 -1.87 -1.37 116.42 119.32 1jye h ASP 132 Ca 0.31 -0.27 -0.08 0.00 0.02 0.00 0.00 57.03 57.01 1jye h ASP 132 Cb 0.02 -0.19 -0.02 0.00 0.22 0.00 0.00 39.33 39.36 1jye h ASP 132 CO -0.05 0.95 0.03 0.00 -1.72 0.00 0.00 179.24 178.46 1jye h ALA 133 N 1.09 0.76 -0.75 3.45 0.00 -0.79 0.38 119.26 123.39 1jye h ALA 133 Ca 0.07 -0.28 -0.04 0.00 0.00 0.00 0.00 54.91 54.65 1jye h ALA 133 Cb 0.80 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 18.34 1jye h ALA 133 CO 0.07 0.56 0.29 0.82 0.00 0.00 0.00 179.25 180.99 1jye h ILE 134 N 0.86 1.25 -0.52 0.00 2.04 -1.23 -0.33 117.51 119.58 1jye h ILE 134 Ca 0.16 -0.80 -0.06 0.00 1.00 0.00 0.00 64.86 65.17 1jye h ILE 134 Cb 0.50 0.36 -0.02 0.00 -0.74 0.00 0.00 36.82 36.92 1jye h ILE 134 CO 0.02 0.32 0.11 0.00 0.00 0.00 0.00 178.15 178.61 1jye h ALA 135 N 1.23 0.69 -0.63 1.87 0.00 -0.77 -1.70 119.26 119.95 1jye h ALA 135 Ca 0.25 -0.22 -0.08 0.00 0.00 0.00 0.00 54.91 54.86 1jye h ALA 135 Cb 0.21 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 1jye h ALA 135 CO -0.02 0.40 0.08 0.28 0.00 0.00 0.00 179.25 179.99 1jye h VAL 136 N 0.73 1.26 -0.97 0.00 2.07 -0.55 -2.40 116.25 116.39 1jye h VAL 136 Ca 0.16 -1.05 0.00 0.00 0.82 0.00 0.00 66.70 66.63 1jye h VAL 136 Cb 0.36 0.72 -0.05 0.00 -1.52 0.00 0.00 31.29 30.80 1jye h VAL 136 CO 0.01 0.39 0.61 -0.08 0.02 0.00 0.00 177.57 178.51 1jye h GLU 137 N 0.97 1.31 -0.31 1.57 4.81 -0.81 -1.45 114.58 120.66 1jye h GLU 137 Ca 0.19 -0.10 -0.04 0.00 -0.13 0.00 0.00 59.36 59.28 1jye h GLU 137 Cb 0.47 -0.28 -0.02 0.00 0.63 0.00 0.00 28.75 29.55 1jye h GLU 137 CO 0.02 0.89 0.03 0.00 -0.73 0.00 0.00 179.01 179.22 1jye h ALA 138 N 1.34 1.48 0.00 2.92 0.00 -0.99 -2.11 119.26 121.89 1jye h ALA 138 Ca 0.35 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 55.10 1jye h ALA 138 Cb -0.09 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.56 1jye h ALA 138 CO -0.07 0.38 0.00 0.00 0.00 0.00 0.00 179.25 179.56 1jye n ALA 139 N -2.48 1.96 1.41 0.00 0.00 -0.57 -3.28 120.51 117.55 1jye n ALA 139 Ca 0.01 -0.04 0.12 0.00 0.00 0.00 0.00 53.44 53.54 1jye n ALA 139 Cb 0.21 -1.37 0.70 0.00 0.00 0.00 0.00 19.45 18.99 1jye n ALA 139 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1jye n THR 141 N -1.12 -5.52 -0.12 0.00 -2.24 -1.21 -1.90 114.28 102.17 1jye n THR 141 Ca 0.16 -0.67 0.00 0.00 -2.27 0.00 0.00 64.05 61.27 1jye n THR 141 Cb 0.13 -4.14 0.00 0.00 -2.10 0.00 0.00 70.33 64.23 1jye n THR 141 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 1jye n ASN 142 N -2.49 0.00 -4.72 3.42 5.03 -1.26 -4.93 115.26 110.30 1jye n ASN 142 Ca -0.12 0.00 -0.42 0.00 0.87 0.00 0.00 54.58 54.91 1jye n ASN 142 Cb 0.59 -1.50 -0.03 0.00 -1.02 0.00 0.00 39.78 37.82 1jye n ASN 142 CO 0.00 0.00 0.00 -0.69 -1.83 0.00 0.00 177.26 174.74 1jye s VAL 143 N -1.28 3.65 0.23 2.41 1.01 -0.80 -4.93 120.40 120.69 1jye s VAL 143 Ca 0.00 1.27 -0.31 0.00 0.00 0.00 0.00 61.98 62.93 1jye s VAL 143 Cb 0.00 -3.81 -0.14 0.00 0.00 0.00 0.00 36.38 32.43 1jye s VAL 143 CO 0.00 0.14 1.39 -0.81 0.00 0.00 0.00 175.10 175.82 1jye n PRO 144 N 3.30 1.94 -4.44 2.72 -0.04 -1.26 -4.81 135.00 132.42 1jye n PRO 144 Ca 0.07 0.69 -0.22 0.00 -0.04 0.00 0.00 63.50 64.01 1jye n PRO 144 Cb 0.45 -2.34 -0.16 0.00 -0.04 0.00 0.00 33.50 31.41 1jye n PRO 144 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1jye s ALA 145 N -0.04 0.99 -0.12 0.55 0.00 -1.26 -0.75 121.76 121.13 1jye s ALA 145 Ca 0.69 -0.32 0.02 0.00 0.00 0.00 0.00 51.96 52.35 1jye s ALA 145 Cb -0.67 -0.42 0.01 0.00 0.00 0.00 0.00 23.12 22.03 1jye s ALA 145 CO 0.49 0.11 -0.20 -1.17 0.00 0.00 0.00 175.76 175.00 1jye s LEU 146 N 0.46 1.99 -0.15 0.00 2.96 0.33 -4.35 118.68 119.91 1jye s LEU 146 Ca -0.08 -0.54 -0.08 0.00 -0.22 0.00 0.00 54.13 53.21 1jye s LEU 146 Cb -0.12 -1.32 -0.04 0.00 0.50 0.00 0.00 46.19 45.20 1jye s LEU 146 CO 0.02 0.07 0.12 -0.36 -1.32 0.00 0.00 176.35 174.88 1jye s PHE 147 N 0.79 3.49 -0.89 5.38 0.40 0.09 0.15 117.98 127.39 1jye s PHE 147 Ca -0.09 0.41 0.08 0.00 -0.60 0.00 0.00 56.93 56.73 1jye s PHE 147 Cb -0.16 -2.02 0.03 0.00 0.51 0.00 0.00 43.02 41.39 1jye s PHE 147 CO -0.00 0.53 0.66 1.28 0.70 0.00 0.00 175.22 178.39 1jye n LEU 148 N 2.63 1.40 -3.24 -0.37 4.77 -0.21 -1.65 117.00 120.33 1jye n LEU 148 Ca -0.18 -0.89 -0.25 0.00 -0.03 0.00 0.00 56.01 54.66 1jye n LEU 148 Cb 0.54 0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.55 1jye n LEU 148 CO 0.33 0.28 -0.30 -0.67 -1.33 0.00 0.00 177.39 175.70 1jye n ASP 149 N 0.11 -0.04 -3.18 -1.43 -0.08 -1.26 -4.71 116.55 105.96 1jye n ASP 149 Ca 0.04 -2.60 -0.16 0.00 -1.51 0.00 0.00 54.79 50.56 1jye n ASP 149 Cb 0.19 -0.60 -0.05 0.00 2.34 0.00 0.00 41.12 43.00 1jye n ASP 149 CO 0.00 0.00 0.00 0.68 0.12 0.00 0.00 177.20 178.00 1jye s VAL 150 N -0.82 0.00 0.39 5.18 -7.23 -1.26 -1.92 120.40 114.75 1jye s VAL 150 Ca 0.34 -1.67 -0.18 0.00 -1.81 0.00 0.00 61.98 58.67 1jye s VAL 150 Cb 0.13 -2.65 -0.10 0.00 0.56 0.00 0.00 36.38 34.33 1jye s VAL 150 CO -0.14 0.00 0.85 -0.55 -0.31 0.00 0.00 175.10 174.96 1jye s SER 151 N -3.28 6.82 0.00 4.85 0.15 -1.26 -4.94 113.70 116.04 1jye s SER 151 Ca 0.33 1.48 0.29 0.00 0.70 0.00 0.00 55.95 58.74 1jye s SER 151 Cb -0.00 -2.46 1.69 0.00 -1.71 0.00 0.00 66.02 63.54 1jye s SER 151 CO 0.23 -0.32 2.04 -0.90 1.20 0.00 0.00 173.24 175.49 1jye n ASP 152 N -0.64 0.00 0.06 5.45 5.75 -1.26 -2.88 116.55 123.03 1jye n ASP 152 Ca 0.05 -0.86 0.11 0.00 -0.01 0.00 0.00 54.79 54.09 1jye n ASP 152 Cb 0.54 -0.01 0.02 0.00 -1.03 0.00 0.00 41.12 40.64 1jye n ASP 152 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1jye n GLN 153 N -1.01 0.43 -2.23 0.11 1.13 -1.26 -4.83 117.38 109.72 1jye n GLN 153 Ca 0.21 0.04 -0.42 0.00 -1.94 0.00 0.00 57.00 54.89 1jye n GLN 153 Cb 0.10 -1.68 -0.03 0.00 0.11 0.00 0.00 30.24 28.74 1jye n GLN 153 CO 0.00 0.00 0.00 0.99 -1.44 0.00 0.00 177.06 176.61 1jye s THR 154 N -3.28 3.54 -0.94 5.09 2.01 -1.14 -4.90 115.64 116.02 1jye s THR 154 Ca 0.02 1.07 -0.07 0.00 0.31 0.00 0.00 61.69 63.02 1jye s THR 154 Cb 0.12 -3.69 -0.06 0.00 0.01 0.00 0.00 72.50 68.89 1jye s THR 154 CO 0.79 0.06 2.13 -0.81 -0.69 0.00 0.00 174.62 176.10 1jye n PRO 155 N 4.34 2.11 -4.27 4.92 -0.04 -1.26 -4.81 135.00 135.99 1jye n PRO 155 Ca 0.11 -1.51 -0.17 0.00 -0.04 0.00 0.00 63.50 61.89 1jye n PRO 155 Cb 0.43 -2.50 -0.09 0.00 -0.04 0.00 0.00 33.50 31.31 1jye n PRO 155 CO 0.00 0.00 0.00 0.96 -0.04 0.00 0.00 175.50 176.42 1jye s ILE 156 N 3.46 0.09 -0.05 0.52 -5.25 -1.26 -5.04 121.20 113.66 1jye s ILE 156 Ca 0.42 -2.00 -0.29 0.00 -0.99 0.00 0.00 60.65 57.78 1jye s ILE 156 Cb 0.11 -2.50 -0.02 0.00 2.95 0.00 0.00 42.46 42.99 1jye s ILE 156 CO -0.03 0.00 0.96 0.20 -1.79 0.00 0.00 174.94 174.28 1jye s ASN 157 N -3.30 7.28 0.19 4.36 0.01 -1.26 -4.09 114.94 118.13 1jye s ASN 157 Ca 0.39 1.55 -0.19 0.00 -0.71 0.00 0.00 52.86 53.90 1jye s ASN 157 Cb 0.05 -2.55 0.04 0.00 0.41 0.00 0.00 41.25 39.20 1jye s ASN 157 CO 0.20 -0.32 0.56 -0.94 -1.51 0.00 0.00 177.10 175.09 1jye s SER 158 N 1.03 -0.34 -0.09 -1.22 1.04 -0.64 -0.73 113.70 112.75 1jye s SER 158 Ca 0.49 -0.35 -0.03 0.00 0.48 0.00 0.00 55.95 56.54 1jye s SER 158 Cb -0.20 0.60 0.05 0.00 0.10 0.00 0.00 66.02 66.57 1jye s SER 158 CO 0.23 -1.05 0.13 -0.63 0.98 0.00 0.00 173.24 172.89 1jye s ILE 159 N -3.84 -0.20 0.13 -1.02 1.01 -0.66 -1.19 121.20 115.43 1jye s ILE 159 Ca 0.07 0.29 -0.01 0.00 0.00 0.00 0.00 60.65 61.00 1jye s ILE 159 Cb -0.01 -0.31 -0.04 0.00 0.01 0.00 0.00 42.46 42.10 1jye s ILE 159 CO -0.05 0.08 0.04 0.27 0.00 0.00 0.00 174.94 175.29 1jye s ILE 160 N 2.24 0.20 0.45 2.92 -4.36 -0.76 -4.36 121.20 117.53 1jye s ILE 160 Ca 0.04 -1.92 -0.17 0.00 -0.26 0.00 0.00 60.65 58.34 1jye s ILE 160 Cb -0.13 -2.03 -0.09 0.00 1.25 0.00 0.00 42.46 41.47 1jye s ILE 160 CO -0.06 -0.50 0.91 -0.36 0.24 0.00 0.00 174.94 175.18 1jye s PHE 161 N -3.98 3.40 -0.61 1.37 0.08 -1.26 -0.36 117.98 116.63 1jye s PHE 161 Ca 0.23 1.42 -0.27 0.00 0.12 0.00 0.00 56.93 58.43 1jye s PHE 161 Cb 0.07 -2.73 -0.00 0.00 -0.57 0.00 0.00 43.02 39.79 1jye s PHE 161 CO 0.01 -0.20 1.67 0.45 -0.10 0.00 0.00 175.22 177.05 1jye s SER 162 N -2.72 5.63 0.30 1.36 0.15 -0.15 -4.77 113.70 113.51 1jye s SER 162 Ca 0.58 0.23 0.09 0.00 0.70 0.00 0.00 55.95 57.55 1jye s SER 162 Cb -0.10 -2.54 0.48 0.00 -1.71 0.00 0.00 66.02 62.15 1jye s SER 162 CO 0.24 -2.12 1.70 1.12 1.20 0.00 0.00 173.24 175.38 1jye h HIS 163 N 13.21 0.15 -0.52 3.44 2.07 -1.93 -1.89 115.15 129.68 1jye h HIS 163 Ca -0.27 -0.04 -0.01 0.00 -2.85 0.00 0.00 60.37 57.19 1jye h HIS 163 Cb 1.13 -0.03 -0.02 0.00 2.57 0.00 0.00 27.41 31.05 1jye h HIS 163 CO 1.05 0.57 0.28 0.93 -3.07 0.00 0.00 177.93 177.70 1jye h GLU 164 N 0.10 0.73 -0.22 5.12 4.39 -1.92 -1.60 114.58 121.19 1jye h GLU 164 Ca 0.00 -0.09 -0.16 0.00 0.34 0.00 0.00 59.36 59.46 1jye h GLU 164 Cb 0.87 -0.14 0.00 0.00 -0.10 0.00 0.00 28.75 29.38 1jye h GLU 164 CO 0.07 0.57 -0.49 -0.44 -1.16 0.00 0.00 179.01 177.56 1jye h ASP 165 N 0.70 0.80 -0.69 1.42 3.45 -1.93 -2.05 116.42 118.12 1jye h ASP 165 Ca 0.18 -0.56 -0.03 0.00 0.43 0.00 0.00 57.03 57.05 1jye h ASP 165 Cb 0.05 -0.23 -0.03 0.00 -0.56 0.00 0.00 39.33 38.56 1jye h ASP 165 CO -0.03 1.22 0.30 1.23 -1.57 0.00 0.00 179.24 180.39 1jye h GLY 166 N 0.43 1.08 1.37 2.75 0.00 -1.23 -0.25 103.07 107.22 1jye h GLY 166 Ca 0.00 -0.57 -0.22 0.00 0.00 0.00 0.00 47.33 46.54 1jye h GLY 166 CO 0.11 0.53 -0.86 -0.91 0.00 0.00 0.00 176.54 175.41 1jye h THR 167 N 0.97 1.33 -0.45 4.70 1.35 -1.35 -2.85 112.91 116.61 1jye h THR 167 Ca 0.23 -2.18 -0.03 0.00 -0.55 0.00 0.00 66.41 63.88 1jye h THR 167 Cb 0.17 2.20 -0.02 0.00 -1.73 0.00 0.00 68.15 68.76 1jye h THR 167 CO -0.02 0.67 0.15 -0.09 -0.25 0.00 0.00 175.52 175.98 1jye h ARG 168 N 0.38 0.69 -0.55 4.72 2.43 -1.23 -1.66 114.38 119.16 1jye h ARG 168 Ca -0.07 -0.14 0.04 0.00 -0.81 0.00 0.00 59.98 59.00 1jye h ARG 168 Cb 1.49 -0.10 -0.04 0.00 -0.42 0.00 0.00 29.97 30.89 1jye h ARG 168 CO 0.16 0.65 0.30 -0.07 -1.51 0.00 0.00 179.97 179.50 1jye h LEU 169 N 0.58 0.44 -0.17 3.80 3.38 -1.05 0.20 115.31 122.49 1jye h LEU 169 Ca 0.15 0.02 -0.02 0.00 0.09 0.00 0.00 57.88 58.12 1jye h LEU 169 Cb 0.25 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 40.92 1jye h LEU 169 CO -0.01 0.30 0.04 1.23 0.09 0.00 0.00 178.44 180.09 1jye h GLY 170 N 0.57 0.30 0.82 0.83 0.00 -1.33 -1.47 103.07 102.80 1jye h GLY 170 Ca 0.24 -0.19 -0.00 0.00 0.00 0.00 0.00 47.33 47.37 1jye h GLY 170 CO -0.15 0.18 0.00 -2.08 0.00 0.00 0.00 176.54 174.50 1jye h VAL 171 N 0.08 1.15 -0.18 4.60 2.07 -1.03 -2.71 116.25 120.23 1jye h VAL 171 Ca 0.05 -0.44 -0.03 0.00 0.82 0.00 0.00 66.70 67.10 1jye h VAL 171 Cb 0.28 1.44 -0.01 0.00 -1.52 0.00 0.00 31.29 31.47 1jye h VAL 171 CO 0.00 0.11 -0.03 -0.33 0.02 0.00 0.00 177.57 177.35 1jye h GLU 172 N -0.17 0.26 -0.09 1.57 5.08 -0.62 -0.22 114.58 120.39 1jye h GLU 172 Ca 0.00 -0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 58.31 1jye h GLU 172 Cb 0.19 -0.05 -0.00 0.00 0.50 0.00 0.00 28.75 29.39 1jye h GLU 172 CO -0.00 0.31 0.03 1.25 -1.00 0.00 0.00 179.01 179.60 1jye h HIS 173 N 0.26 0.14 -0.53 4.33 2.76 -1.15 0.13 115.15 121.09 1jye h HIS 173 Ca 0.06 -0.01 -0.09 0.00 -2.20 0.00 0.00 60.37 58.13 1jye h HIS 173 Cb 0.22 -0.04 -0.02 0.00 1.55 0.00 0.00 27.41 29.12 1jye h HIS 173 CO 0.00 0.29 -0.00 -0.07 -1.30 0.00 0.00 177.93 176.85 1jye h LEU 174 N -0.04 0.93 -0.50 0.26 3.38 -1.15 -2.40 115.31 115.79 1jye h LEU 174 Ca 0.03 -0.31 -0.04 0.00 0.09 0.00 0.00 57.88 57.65 1jye h LEU 174 Cb 0.21 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.69 1jye h LEU 174 CO -0.00 1.01 0.17 0.58 0.09 0.00 0.00 178.44 180.29 1jye h VAL 175 N 0.82 1.22 -0.10 1.22 2.07 -0.97 -1.58 116.25 118.94 1jye h VAL 175 Ca 0.15 -0.73 -0.02 0.00 0.82 0.00 0.00 66.70 66.92 1jye h VAL 175 Cb 0.54 0.76 -0.01 0.00 -1.52 0.00 0.00 31.29 31.06 1jye h VAL 175 CO 0.03 0.27 -0.03 0.00 0.02 0.00 0.00 177.57 177.85 1jye h ALA 176 N 1.03 1.77 0.00 1.67 0.00 -0.85 -0.50 119.26 122.37 1jye h ALA 176 Ca 0.16 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1jye h ALA 176 Cb 0.25 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.98 1jye h ALA 176 CO -0.01 0.18 0.00 1.28 0.00 0.00 0.00 179.25 180.70 1jye n LEU 177 N -4.41 0.37 0.00 0.00 4.77 -0.91 -4.91 117.00 111.90 1jye n LEU 177 Ca -0.01 0.55 0.00 0.00 -0.03 0.00 0.00 56.01 56.51 1jye n LEU 177 Cb 0.16 -0.44 0.00 0.00 -2.33 0.00 0.00 43.42 40.81 1jye n LEU 177 CO 0.36 -0.15 0.00 0.61 -1.33 0.00 0.00 177.39 176.87 1jye n GLY 178 N 1.10 0.93 3.74 -0.72 0.00 -0.20 -4.14 105.19 105.91 1jye n GLY 178 Ca 0.06 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.67 1jye n GLY 178 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1jye s HIS 179 N -2.00 3.43 0.00 1.61 3.76 -0.63 -4.75 115.29 116.70 1jye s HIS 179 Ca 0.00 1.48 0.00 0.00 -0.15 0.00 0.00 55.06 56.39 1jye s HIS 179 Cb 0.00 -3.42 0.00 0.00 1.11 0.00 0.00 32.58 30.27 1jye s HIS 179 CO 0.00 -1.13 0.00 1.04 -0.85 0.00 0.00 174.74 173.80 1jye n GLN 180 N 2.11 2.42 -3.39 1.40 1.13 -1.26 -4.48 117.38 115.32 1jye n GLN 180 Ca 0.03 0.00 -0.45 0.00 -1.94 0.00 0.00 57.00 54.64 1jye n GLN 180 Cb 0.44 -0.79 -0.04 0.00 0.11 0.00 0.00 30.24 29.96 1jye n GLN 180 CO 0.00 0.00 0.00 -0.65 -1.44 0.00 0.00 177.06 174.97 1jye s GLN 181 N -1.36 3.26 -0.02 -1.09 -1.52 -1.26 -4.83 119.66 112.84 1jye s GLN 181 Ca 0.00 -2.25 0.08 0.00 -1.95 0.00 0.00 55.36 51.24 1jye s GLN 181 Cb 0.00 -4.28 -0.02 0.00 -0.22 0.00 0.00 33.01 28.49 1jye s GLN 181 CO 0.00 -1.28 -0.25 0.42 -0.25 0.00 0.00 175.29 173.94 1jye s ILE 182 N 0.55 2.18 0.13 1.08 1.01 -1.26 -0.87 121.20 124.02 1jye s ILE 182 Ca 0.14 -1.08 0.09 0.00 0.00 0.00 0.00 60.65 59.79 1jye s ILE 182 Cb -0.17 -1.77 -0.04 0.00 0.01 0.00 0.00 42.46 40.49 1jye s ILE 182 CO -0.05 0.57 -0.17 0.00 0.00 0.00 0.00 174.94 175.29 1jye s ALA 183 N -0.64 2.73 -0.06 9.38 0.00 -0.56 -0.86 121.76 131.75 1jye s ALA 183 Ca 0.10 -1.38 0.04 0.00 0.00 0.00 0.00 51.96 50.73 1jye s ALA 183 Cb -0.10 -0.66 -0.02 0.00 0.00 0.00 0.00 23.12 22.34 1jye s ALA 183 CO -0.01 0.57 -0.18 -0.51 0.00 0.00 0.00 175.76 175.63 1jye s LEU 184 N -2.27 2.48 -0.34 0.00 1.43 -0.07 -1.42 118.68 118.49 1jye s LEU 184 Ca 0.19 -0.33 0.02 0.00 -1.03 0.00 0.00 54.13 52.98 1jye s LEU 184 Cb -0.10 -1.49 0.10 0.00 0.03 0.00 0.00 46.19 44.73 1jye s LEU 184 CO 0.11 0.29 0.09 -0.22 0.23 0.00 0.00 176.35 176.85 1jye s LEU 185 N -0.41 3.62 0.61 1.79 2.96 -0.26 -0.73 118.68 126.26 1jye s LEU 185 Ca 0.04 -2.02 -0.09 0.00 -0.22 0.00 0.00 54.13 51.84 1jye s LEU 185 Cb -0.12 -1.29 -0.02 0.00 0.50 0.00 0.00 46.19 45.26 1jye s LEU 185 CO 0.02 -0.38 0.97 0.00 -1.32 0.00 0.00 176.35 175.64 1jye s ALA 186 N 1.10 3.14 0.96 5.97 0.00 -0.01 -0.79 121.76 132.13 1jye s ALA 186 Ca 0.11 -0.35 -0.15 0.00 0.00 0.00 0.00 51.96 51.57 1jye s ALA 186 Cb -0.19 -2.88 0.21 0.00 0.00 0.00 0.00 23.12 20.26 1jye s ALA 186 CO -0.14 -0.76 1.32 0.20 0.00 0.00 0.00 175.76 176.37 1jye s GLY 187 N -4.24 1.81 0.04 0.00 0.00 -1.26 -0.33 107.32 103.34 1jye s GLY 187 Ca 0.54 -1.34 -0.30 0.00 0.00 0.00 0.00 44.72 43.62 1jye s GLY 187 CO 0.50 -0.55 1.84 2.56 0.00 0.00 0.00 173.10 177.45 1jye s PRO 188 N -5.87 4.16 0.00 2.90 0.04 -1.01 -4.35 135.00 130.86 1jye s PRO 188 Ca 0.75 2.49 0.09 0.00 0.04 0.00 0.00 61.00 64.38 1jye s PRO 188 Cb -0.03 -3.93 0.52 0.00 0.04 0.00 0.00 34.50 31.11 1jye s PRO 188 CO 0.53 -0.88 1.06 1.28 0.04 0.00 0.00 177.00 179.03 1jye n LEU 189 N 6.79 0.00 0.16 -3.56 4.77 -1.26 -1.16 117.00 122.74 1jye n LEU 189 Ca 0.18 0.10 0.13 0.00 -0.03 0.00 0.00 56.01 56.39 1jye n LEU 189 Cb 0.41 -0.10 0.42 0.00 -2.33 0.00 0.00 43.42 41.82 1jye n LEU 189 CO 0.66 -0.07 0.88 0.77 -1.33 0.00 0.00 177.39 178.30 1jye h SER 190 N 0.00 0.00 -3.47 -1.43 4.64 -1.98 -3.43 113.55 107.88 1jye h SER 190 Ca 0.00 0.00 -0.60 0.00 -0.47 0.00 0.00 61.79 60.72 1jye h SER 190 Cb 0.03 0.00 -0.12 0.00 -0.31 0.00 0.00 62.40 62.00 1jye h SER 190 CO 0.00 0.00 -0.26 -0.55 -0.87 0.00 0.00 176.83 175.15 1jye s SER 191 N -4.92 6.39 0.36 4.97 0.15 -0.30 -4.97 113.70 115.37 1jye s SER 191 Ca 0.07 0.46 0.07 0.00 0.70 0.00 0.00 55.95 57.25 1jye s SER 191 Cb 0.10 -2.21 0.77 0.00 -1.71 0.00 0.00 66.02 62.97 1jye s SER 191 CO 0.55 -0.03 1.93 1.62 1.20 0.00 0.00 173.24 178.51 1jye h VAL 192 N 4.98 0.97 -0.60 4.45 3.04 -1.86 -1.29 116.25 125.93 1jye h VAL 192 Ca -0.37 -0.25 -0.03 0.00 -1.01 0.00 0.00 66.70 65.04 1jye h VAL 192 Cb 1.16 0.17 -0.03 0.00 -2.01 0.00 0.00 31.29 30.58 1jye h VAL 192 CO 0.71 0.13 0.26 0.28 -1.01 0.00 0.00 177.57 177.95 1jye h SER 193 N 0.73 0.81 -0.53 3.17 0.02 -1.92 -0.30 113.55 115.53 1jye h SER 193 Ca 0.35 -0.15 -0.08 0.00 -0.84 0.00 0.00 61.79 61.07 1jye h SER 193 Cb 0.40 -0.21 -0.02 0.00 0.14 0.00 0.00 62.40 62.71 1jye h SER 193 CO -0.13 0.74 0.04 0.00 -1.14 0.00 0.00 176.83 176.34 1jye h ALA 194 N 1.10 0.99 -0.20 3.77 0.00 -1.54 -1.96 119.26 121.43 1jye h ALA 194 Ca 0.20 -0.28 -0.03 0.00 0.00 0.00 0.00 54.91 54.80 1jye h ALA 194 Cb 0.17 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 1jye h ALA 194 CO -0.02 0.62 -0.01 0.00 0.00 0.00 0.00 179.25 179.84 1jye h ARG 195 N 0.89 0.36 -0.87 0.00 3.08 -0.88 -1.03 114.38 115.92 1jye h ARG 195 Ca 0.17 -0.12 -0.01 0.00 0.07 0.00 0.00 59.98 60.09 1jye h ARG 195 Cb 0.47 -0.03 -0.04 0.00 0.08 0.00 0.00 29.97 30.45 1jye h ARG 195 CO 0.02 0.57 0.51 -0.07 -1.07 0.00 0.00 179.97 179.93 1jye h LEU 196 N 0.11 1.05 -0.26 3.04 3.38 -0.98 -0.26 115.31 121.38 1jye h LEU 196 Ca 0.05 -0.07 -0.03 0.00 0.09 0.00 0.00 57.88 57.92 1jye h LEU 196 Cb 0.42 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.89 1jye h LEU 196 CO 0.01 0.81 0.03 -0.09 0.09 0.00 0.00 178.44 179.29 1jye h ARG 197 N 1.20 0.44 -0.49 1.13 2.43 -1.23 -0.96 114.38 116.90 1jye h ARG 197 Ca 0.31 -0.12 -0.06 0.00 -0.81 0.00 0.00 59.98 59.30 1jye h ARG 197 Cb -0.03 -0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 29.45 1jye h ARG 197 CO -0.06 0.57 0.08 1.25 -1.51 0.00 0.00 179.97 180.31 1jye h LEU 198 N 0.24 0.77 -1.00 3.80 5.85 -0.86 -1.44 115.31 122.66 1jye h LEU 198 Ca 0.08 -0.26 -0.02 0.00 0.84 0.00 0.00 57.88 58.52 1jye h LEU 198 Cb 0.35 -0.20 -0.04 0.00 0.37 0.00 0.00 40.66 41.14 1jye h LEU 198 CO 0.01 0.83 0.41 0.00 -0.34 0.00 0.00 178.44 179.34 1jye h ALA 199 N 0.97 1.23 -0.33 1.25 0.00 -0.98 -2.23 119.26 119.16 1jye h ALA 199 Ca 0.15 -0.14 -0.03 0.00 0.00 0.00 0.00 54.91 54.89 1jye h ALA 199 Cb 0.38 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 1jye h ALA 199 CO 0.01 0.61 0.09 0.78 0.00 0.00 0.00 179.25 180.74 1jye h GLY 200 N 1.14 0.56 0.72 0.00 0.00 -0.84 -0.77 103.07 103.89 1jye h GLY 200 Ca 0.28 -0.34 0.04 0.00 0.00 0.00 0.00 47.33 47.31 1jye h GLY 200 CO -0.04 0.32 0.22 1.49 0.00 0.00 0.00 176.54 178.53 1jye h TRP 201 N 0.38 0.40 -0.85 5.60 6.55 -0.94 -1.54 115.95 125.55 1jye h TRP 201 Ca 0.11 0.02 -0.03 0.00 0.95 0.00 0.00 58.89 59.94 1jye h TRP 201 Cb 0.27 -0.11 -0.04 0.00 -0.86 0.00 0.00 29.16 28.42 1jye h TRP 201 CO 0.01 0.19 0.42 0.45 -1.05 0.00 0.00 178.44 178.46 1jye h HIS 202 N 0.44 1.21 0.19 0.49 3.86 -1.23 -0.32 115.15 119.79 1jye h HIS 202 Ca 0.21 -0.05 -0.00 0.00 -1.16 0.00 0.00 60.37 59.36 1jye h HIS 202 Cb 0.13 -0.38 -0.01 0.00 1.06 0.00 0.00 27.41 28.22 1jye h HIS 202 CO -0.11 0.87 -0.13 -0.22 0.86 0.00 0.00 177.93 179.20 1jye h LYS 203 N 1.21 -0.30 -0.00 2.45 3.64 -0.46 -0.79 116.57 122.30 1jye h LYS 203 Ca 0.29 0.02 -0.14 0.00 -1.27 0.00 0.00 60.65 59.55 1jye h LYS 203 Cb 0.10 0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 31.97 1jye h LYS 203 CO -0.04 -0.20 -0.67 1.88 -2.27 0.00 0.00 179.45 178.15 1jye h TYR 204 N -0.32 0.01 -0.45 1.91 0.05 -1.19 -1.29 116.97 115.70 1jye h TYR 204 Ca -0.01 -0.00 -0.08 0.00 0.05 0.00 0.00 58.73 58.68 1jye h TYR 204 Cb 0.27 -0.00 -0.02 0.00 1.01 0.00 0.00 36.73 37.99 1jye h TYR 204 CO -0.09 0.67 -0.04 -0.07 -1.05 0.00 0.00 178.16 177.58 1jye h LEU 205 N 0.01 0.81 -0.68 3.88 3.38 -0.97 -2.12 115.31 119.62 1jye h LEU 205 Ca -0.01 -0.33 -0.03 0.00 0.09 0.00 0.00 57.88 57.61 1jye h LEU 205 Cb 1.18 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 41.68 1jye h LEU 205 CO 0.09 0.95 0.31 0.74 0.09 0.00 0.00 178.44 180.62 1jye h THR 206 N 0.66 1.23 0.00 0.22 2.02 -0.97 -0.18 112.91 115.89 1jye h THR 206 Ca 0.12 -0.67 -0.01 0.00 0.77 0.00 0.00 66.41 66.62 1jye h THR 206 Cb 0.55 0.42 -0.00 0.00 -1.74 0.00 0.00 68.15 67.38 1jye h THR 206 CO 0.03 0.28 -0.04 0.03 0.37 0.00 0.00 175.52 176.19 1jye h ARG 207 N 0.95 0.00 -0.64 6.66 3.08 -0.98 0.62 114.38 124.07 1jye h ARG 207 Ca 0.23 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.28 1jye h ARG 207 Cb 0.14 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.19 1jye h ARG 207 CO -0.03 0.04 0.00 0.09 -1.07 0.00 0.00 179.97 179.00 1jye n ASN 208 N -4.04 4.79 -3.79 7.04 3.02 -0.57 -4.94 115.26 116.77 1jye n ASN 208 Ca -0.03 -2.60 -0.29 0.00 -0.03 0.00 0.00 54.58 51.63 1jye n ASN 208 Cb 0.12 -0.61 0.03 0.00 -0.61 0.00 0.00 39.78 38.72 1jye n ASN 208 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1jye n GLN 209 N 0.81 -5.79 -4.88 3.52 6.02 0.21 -4.99 117.38 112.28 1jye n GLN 209 Ca 0.24 0.64 -0.27 0.00 -0.01 0.00 0.00 57.00 57.60 1jye n GLN 209 Cb 0.95 -5.55 -0.16 0.00 1.02 0.00 0.00 30.24 26.49 1jye n GLN 209 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 1jye s ILE 210 N -3.27 1.52 -0.18 5.09 1.01 -0.19 -5.01 121.20 120.17 1jye s ILE 210 Ca 0.63 -0.74 -0.04 0.00 0.00 0.00 0.00 60.65 60.49 1jye s ILE 210 Cb -0.31 -1.32 -0.02 0.00 0.01 0.00 0.00 42.46 40.82 1jye s ILE 210 CO 0.77 0.44 -0.02 -1.10 0.00 0.00 0.00 174.94 175.03 1jye s GLN 211 N 0.21 3.63 0.55 2.79 -0.21 -1.26 -3.64 119.66 121.73 1jye s GLN 211 Ca -0.09 -0.53 -0.21 0.00 0.02 0.00 0.00 55.36 54.55 1jye s GLN 211 Cb -0.14 -3.00 -0.04 0.00 1.00 0.00 0.00 33.01 30.83 1jye s GLN 211 CO 0.04 0.11 1.34 -1.25 -2.12 0.00 0.00 175.29 173.41 1jye s PRO 212 N 0.72 3.10 0.00 2.91 0.04 -1.26 -4.78 135.00 135.73 1jye s PRO 212 Ca -0.01 2.19 0.29 0.00 0.04 0.00 0.00 61.00 63.52 1jye s PRO 212 Cb -0.14 -2.21 1.34 0.00 0.04 0.00 0.00 34.50 33.53 1jye s PRO 212 CO 0.02 -1.21 1.97 0.44 0.04 0.00 0.00 177.00 178.26 1jye n ILE 213 N -1.11 0.00 -3.62 0.56 -5.35 -0.04 -4.86 119.36 104.93 1jye n ILE 213 Ca 0.11 -0.00 -0.06 0.00 -0.27 0.00 0.00 62.75 62.53 1jye n ILE 213 Cb 0.45 -0.46 -0.05 0.00 -1.74 0.00 0.00 39.64 37.84 1jye n ILE 213 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1jye s ALA 214 N -2.79 -2.05 -0.06 -1.28 0.00 -1.26 -5.03 121.76 109.28 1jye s ALA 214 Ca 0.21 1.76 -0.03 0.00 0.00 0.00 0.00 51.96 53.90 1jye s ALA 214 Cb 0.20 -1.25 0.03 0.00 0.00 0.00 0.00 23.12 22.09 1jye s ALA 214 CO 0.50 -0.25 0.15 -1.83 0.00 0.00 0.00 175.76 174.33 1jye s GLU 215 N -0.87 0.11 0.40 0.00 -1.05 -1.26 -0.89 118.70 115.13 1jye s GLU 215 Ca 0.05 0.33 0.04 0.00 -0.15 0.00 0.00 54.97 55.24 1jye s GLU 215 Cb -0.01 -0.12 -0.03 0.00 -0.44 0.00 0.00 34.13 33.53 1jye s GLU 215 CO -0.05 -0.13 0.13 1.03 0.95 0.00 0.00 175.26 177.19 1jye s ARG 216 N 0.93 1.90 -0.04 -4.83 0.52 0.09 -4.96 118.95 112.56 1jye s ARG 216 Ca -0.07 -2.15 0.02 0.00 -0.52 0.00 0.00 55.73 53.00 1jye s ARG 216 Cb -0.09 -0.56 0.01 0.00 0.52 0.00 0.00 34.95 34.84 1jye s ARG 216 CO -0.05 -0.48 -0.06 -2.00 0.02 0.00 0.00 175.30 172.73 1jye s GLU 217 N -3.71 0.90 0.00 3.54 2.12 -1.26 -0.83 118.70 119.45 1jye s GLU 217 Ca 0.25 -0.19 0.00 0.00 0.36 0.00 0.00 54.97 55.39 1jye s GLU 217 Cb 0.03 -0.85 0.00 0.00 0.26 0.00 0.00 34.13 33.56 1jye s GLU 217 CO 0.15 -0.00 0.00 0.41 -0.54 0.00 0.00 175.26 175.28 1jye n GLY 218 N 3.72 6.25 0.62 -1.50 0.00 0.55 -4.93 105.19 109.91 1jye n GLY 218 Ca -0.22 -2.01 0.04 0.00 0.00 0.00 0.00 46.02 43.82 1jye n GLY 218 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1jye n ASP 219 N 0.00 0.94 0.00 1.61 5.68 -1.26 -2.42 116.55 121.10 1jye n ASP 219 Ca 0.00 -2.46 0.00 0.00 -0.50 0.00 0.00 54.79 51.83 1jye n ASP 219 Cb 0.00 -0.31 0.00 0.00 -1.14 0.00 0.00 41.12 39.67 1jye n ASP 219 CO 0.00 0.00 0.00 0.79 -1.33 0.00 0.00 177.20 176.66 1jye n TRP 220 N -0.35 0.00 -3.12 2.11 5.03 -1.26 -4.81 117.44 115.04 1jye n TRP 220 Ca 0.07 0.00 -0.30 0.00 3.03 0.00 0.00 57.50 60.30 1jye n TRP 220 Cb 0.78 0.00 -0.04 0.00 -1.03 0.00 0.00 31.31 31.02 1jye n TRP 220 CO 0.00 0.00 0.00 -1.54 -0.03 0.00 0.00 177.69 176.12 1jye s SER 221 N -2.34 6.54 0.24 -0.99 1.04 -1.26 -4.06 113.70 112.87 1jye s SER 221 Ca 0.00 0.98 -0.06 0.00 0.48 0.00 0.00 55.95 57.35 1jye s SER 221 Cb 0.00 -2.26 0.24 0.00 0.10 0.00 0.00 66.02 64.10 1jye s SER 221 CO 0.00 -0.26 1.90 0.00 0.98 0.00 0.00 173.24 175.85 1jye h ALA 222 N 1.69 1.23 -0.52 5.32 0.00 -1.90 -2.30 119.26 122.79 1jye h ALA 222 Ca -0.47 -0.10 -0.03 0.00 0.00 0.00 0.00 54.91 54.31 1jye h ALA 222 Cb 1.18 -0.39 -0.03 0.00 0.00 0.00 0.00 17.79 18.56 1jye h ALA 222 CO 0.65 0.67 0.20 1.98 0.00 0.00 0.00 179.25 182.76 1jye h MET 223 N 1.32 0.74 -0.19 0.00 1.85 -1.94 -0.71 114.93 116.01 1jye h MET 223 Ca 0.35 -0.11 -0.10 0.00 -0.61 0.00 0.00 59.70 59.23 1jye h MET 223 Cb -0.08 -0.13 -0.01 0.00 0.43 0.00 0.00 31.60 31.81 1jye h MET 223 CO -0.07 0.62 -0.32 0.66 -0.40 0.00 0.00 176.91 177.40 1jye h SER 224 N 0.74 0.39 -0.41 1.39 4.64 -1.81 0.14 113.55 118.62 1jye h SER 224 Ca 0.18 -0.14 -0.11 0.00 -0.47 0.00 0.00 61.79 61.24 1jye h SER 224 Cb 0.15 -0.11 -0.02 0.00 -0.31 0.00 0.00 62.40 62.12 1jye h SER 224 CO -0.02 0.69 -0.17 1.23 -0.87 0.00 0.00 176.83 177.70 1jye h GLY 225 N 1.08 0.97 0.73 -0.77 0.00 -0.92 -1.01 103.07 103.15 1jye h GLY 225 Ca 0.04 -0.80 -0.01 0.00 0.00 0.00 0.00 47.33 46.56 1jye h GLY 225 CO 0.06 0.73 -0.00 -2.75 0.00 0.00 0.00 176.54 174.58 1jye h PHE 226 N 0.79 0.14 -0.01 5.60 3.57 -0.72 -2.17 116.94 124.14 1jye h PHE 226 Ca 0.12 -0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.59 1jye h PHE 226 Cb 0.71 -0.04 -0.00 0.00 2.79 0.00 0.00 35.95 39.41 1jye h PHE 226 CO 0.04 0.40 0.00 1.96 -2.23 0.00 0.00 178.31 178.49 1jye h GLN 227 N -0.17 0.01 -0.78 1.11 4.20 -0.91 -0.35 115.11 118.23 1jye h GLN 227 Ca 0.02 -0.00 -0.02 0.00 0.06 0.00 0.00 58.65 58.71 1jye h GLN 227 Cb 0.35 -0.00 -0.04 0.00 0.30 0.00 0.00 27.48 28.09 1jye h GLN 227 CO 0.00 0.12 0.40 1.96 -0.67 0.00 0.00 178.83 180.63 1jye h GLN 228 N -0.10 1.11 -0.38 1.46 1.08 -1.25 -0.67 115.11 116.36 1jye h GLN 228 Ca 0.00 -0.15 -0.13 0.00 -1.45 0.00 0.00 58.65 56.92 1jye h GLN 228 Cb 0.11 -0.21 -0.01 0.00 -0.05 0.00 0.00 27.48 27.33 1jye h GLN 228 CO -0.00 0.84 -0.27 1.15 -0.95 0.00 0.00 178.83 179.61 1jye h THR 229 N 1.09 1.28 -0.79 -0.54 2.02 -1.31 -1.56 112.91 113.09 1jye h THR 229 Ca 0.27 -1.43 -0.05 0.00 0.77 0.00 0.00 66.41 65.98 1jye h THR 229 Cb 0.08 1.36 -0.03 0.00 -1.74 0.00 0.00 68.15 67.82 1jye h THR 229 CO -0.04 0.47 0.31 0.24 0.37 0.00 0.00 175.52 176.87 1jye h MET 230 N 0.66 1.19 -0.71 6.66 2.86 -0.83 -0.63 114.93 124.12 1jye h MET 230 Ca 0.07 -0.22 -0.07 0.00 -2.06 0.00 0.00 59.70 57.43 1jye h MET 230 Cb 0.84 -0.19 -0.03 0.00 0.06 0.00 0.00 31.60 32.28 1jye h MET 230 CO 0.07 0.96 0.19 1.96 1.06 0.00 0.00 176.91 181.15 1jye h GLN 231 N 1.16 1.12 -0.04 1.72 4.20 -0.96 0.14 115.11 122.45 1jye h GLN 231 Ca 0.26 -0.26 -0.00 0.00 0.06 0.00 0.00 58.65 58.71 1jye h GLN 231 Cb 0.23 -0.15 -0.00 0.00 0.30 0.00 0.00 27.48 27.85 1jye h GLN 231 CO -0.02 0.98 0.01 1.98 -0.67 0.00 0.00 178.83 181.11 1jye h MET 232 N 1.07 0.06 -0.71 1.46 4.05 -0.90 -2.27 114.93 117.68 1jye h MET 232 Ca 0.23 -0.01 -0.05 0.00 -0.28 0.00 0.00 59.70 59.58 1jye h MET 232 Cb 0.35 -0.01 -0.03 0.00 -0.80 0.00 0.00 31.60 31.11 1jye h MET 232 CO -0.00 0.25 0.24 -0.07 0.23 0.00 0.00 176.91 177.56 1jye h LEU 233 N -0.15 1.02 -2.05 3.39 3.38 -0.94 -2.03 115.31 117.92 1jye h LEU 233 Ca 0.01 -0.20 -0.01 0.00 0.09 0.00 0.00 57.88 57.77 1jye h LEU 233 Cb 0.22 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 40.71 1jye h LEU 233 CO -0.00 0.95 -0.04 0.78 0.09 0.00 0.00 178.44 180.22 1jye h ASN 234 N 1.03 0.00 1.09 -0.43 2.35 -0.65 -1.14 115.58 117.84 1jye h ASN 234 Ca 0.23 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.98 1jye h ASN 234 Cb 0.28 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.65 1jye h ASN 234 CO -0.01 0.04 0.00 -0.62 -1.65 0.00 0.00 177.43 175.19 1jye n GLU 235 N -3.23 0.06 -0.28 0.81 1.02 -0.80 -4.89 120.64 113.33 1jye n GLU 235 Ca -0.01 0.05 0.00 0.00 -0.02 0.00 0.00 57.16 57.18 1jye n GLU 235 Cb 0.22 -1.57 0.00 0.00 -0.02 0.00 0.00 31.44 30.07 1jye n GLU 235 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1jye n GLY 236 N 1.43 0.80 3.48 0.62 0.00 -0.43 -5.03 105.19 106.06 1jye n GLY 236 Ca 0.07 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.65 1jye n GLY 236 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1jye s ILE 237 N -2.15 4.91 -0.39 -0.61 1.01 -0.98 -5.01 121.20 117.99 1jye s ILE 237 Ca 0.00 -0.22 0.03 0.00 0.00 0.00 0.00 60.65 60.46 1jye s ILE 237 Cb 0.00 -4.19 0.11 0.00 0.01 0.00 0.00 42.46 38.39 1jye s ILE 237 CO 0.00 -0.62 0.12 -0.69 0.00 0.00 0.00 174.94 173.75 1jye s VAL 238 N 2.57 2.16 0.84 2.92 1.01 -1.26 -3.83 120.40 124.80 1jye s VAL 238 Ca 0.17 -2.50 -0.12 0.00 0.00 0.00 0.00 61.98 59.53 1jye s VAL 238 Cb -0.17 -2.57 0.10 0.00 0.00 0.00 0.00 36.38 33.74 1jye s VAL 238 CO 0.15 -0.67 1.16 -2.16 0.00 0.00 0.00 175.10 173.58 1jye s PRO 239 N 0.65 1.73 0.02 2.72 0.04 -1.26 -4.97 135.00 133.93 1jye s PRO 239 Ca 0.13 0.20 0.22 0.00 0.04 0.00 0.00 61.00 61.59 1jye s PRO 239 Cb -0.21 -1.92 -0.07 0.00 0.04 0.00 0.00 34.50 32.34 1jye s PRO 239 CO -0.07 -1.77 0.92 0.25 0.04 0.00 0.00 177.00 176.37 1jye n THR 240 N -3.45 0.08 -3.67 1.26 -2.24 -0.05 -4.74 114.28 101.48 1jye n THR 240 Ca 0.07 -0.20 -0.14 0.00 -2.27 0.00 0.00 64.05 61.52 1jye n THR 240 Cb 0.60 0.41 -0.07 0.00 -2.10 0.00 0.00 70.33 69.17 1jye n THR 240 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1jye s ALA 241 N -3.18 -1.09 -0.02 6.98 0.00 -1.13 -0.31 121.76 123.01 1jye s ALA 241 Ca 0.03 0.53 0.02 0.00 0.00 0.00 0.00 51.96 52.55 1jye s ALA 241 Cb 0.15 0.18 0.00 0.00 0.00 0.00 0.00 23.12 23.45 1jye s ALA 241 CO 0.83 -0.37 -0.09 -1.64 0.00 0.00 0.00 175.76 174.49 1jye s MET 242 N -1.80 0.94 -0.27 0.00 1.00 0.52 -1.49 119.30 118.20 1jye s MET 242 Ca -0.09 -0.31 -0.09 0.00 0.00 0.00 0.00 55.69 55.20 1jye s MET 242 Cb -0.02 -0.88 -0.03 0.00 0.00 0.00 0.00 34.83 33.90 1jye s MET 242 CO 0.03 0.12 0.13 -0.51 0.00 0.00 0.00 175.02 174.78 1jye s LEU 243 N 0.15 3.76 -0.05 -0.03 1.43 -0.50 -1.48 118.68 121.95 1jye s LEU 243 Ca -0.02 -0.20 0.03 0.00 -1.03 0.00 0.00 54.13 52.91 1jye s LEU 243 Cb -0.08 -2.00 -0.03 0.00 0.03 0.00 0.00 46.19 44.11 1jye s LEU 243 CO 0.00 -0.07 -0.13 -0.69 0.23 0.00 0.00 176.35 175.69 1jye s VAL 244 N 1.66 3.13 0.58 -1.59 1.01 0.04 -1.10 120.40 124.14 1jye s VAL 244 Ca 0.06 -0.70 0.36 0.00 0.00 0.00 0.00 61.98 61.71 1jye s VAL 244 Cb -0.16 -2.23 0.39 0.00 0.00 0.00 0.00 36.38 34.38 1jye s VAL 244 CO 0.07 0.59 2.28 0.00 0.00 0.00 0.00 175.10 178.03 1jye h ALA 245 N 5.39 1.26 -2.99 5.51 0.00 -1.25 -3.32 119.26 123.85 1jye h ALA 245 Ca -0.46 -0.01 0.03 0.00 0.00 0.00 0.00 54.91 54.47 1jye h ALA 245 Cb 1.16 -0.00 -0.08 0.00 0.00 0.00 0.00 17.79 18.87 1jye h ALA 245 CO 0.51 0.02 0.20 0.54 0.00 0.00 0.00 179.25 180.52 1jye s ASN 246 N -5.72 -0.35 0.29 0.00 4.22 -1.26 -4.50 114.94 107.62 1jye s ASN 246 Ca -0.04 -0.42 -0.00 0.00 -2.14 0.00 0.00 52.86 50.25 1jye s ASN 246 Cb 0.14 0.68 0.42 0.00 1.28 0.00 0.00 41.25 43.77 1jye s ASN 246 CO 0.49 -1.21 1.82 0.44 -2.04 0.00 0.00 177.10 176.60 1jye h ASP 247 N 2.02 0.71 -0.45 3.54 3.32 -1.54 -1.67 116.42 122.36 1jye h ASP 247 Ca -0.24 -0.14 -0.07 0.00 0.02 0.00 0.00 57.03 56.60 1jye h ASP 247 Cb 1.27 -0.19 -0.02 0.00 0.22 0.00 0.00 39.33 40.62 1jye h ASP 247 CO 0.29 0.74 0.01 1.56 -1.72 0.00 0.00 179.24 180.11 1jye h GLN 248 N 0.73 0.78 -0.09 3.56 4.20 -1.88 0.38 115.11 122.79 1jye h GLN 248 Ca 0.16 -0.25 -0.08 0.00 0.06 0.00 0.00 58.65 58.54 1jye h GLN 248 Cb 0.34 -0.07 -0.01 0.00 0.30 0.00 0.00 27.48 28.03 1jye h GLN 248 CO 0.01 0.84 -0.31 0.52 -0.67 0.00 0.00 178.83 179.22 1jye h MET 249 N 0.63 0.18 -0.51 1.46 2.86 -1.67 -2.19 114.93 115.68 1jye h MET 249 Ca 0.13 -0.06 -0.07 0.00 -2.06 0.00 0.00 59.70 57.63 1jye h MET 249 Cb 0.49 -0.01 -0.02 0.00 0.06 0.00 0.00 31.60 32.11 1jye h MET 249 CO 0.02 0.47 0.02 0.00 1.06 0.00 0.00 176.91 178.48 1jye h ALA 250 N 1.53 1.07 -0.61 6.32 0.00 -0.66 -0.52 119.26 126.39 1jye h ALA 250 Ca 0.02 -0.27 0.01 0.00 0.00 0.00 0.00 54.91 54.67 1jye h ALA 250 Cb 0.63 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 18.18 1jye h ALA 250 CO 0.05 0.59 0.41 1.25 0.00 0.00 0.00 179.25 181.54 1jye h LEU 251 N 0.80 0.70 -0.58 0.00 5.85 -0.34 0.11 115.31 121.86 1jye h LEU 251 Ca 0.16 -0.02 -0.03 0.00 0.84 0.00 0.00 57.88 58.83 1jye h LEU 251 Cb 0.45 -0.17 -0.03 0.00 0.37 0.00 0.00 40.66 41.28 1jye h LEU 251 CO 0.02 0.51 0.24 1.23 -0.34 0.00 0.00 178.44 180.10 1jye h GLY 252 N 0.83 0.91 0.99 3.75 0.00 -0.98 -1.39 103.07 107.18 1jye h GLY 252 Ca 0.23 -0.49 -0.02 0.00 0.00 0.00 0.00 47.33 47.05 1jye h GLY 252 CO -0.05 0.46 0.30 0.00 0.00 0.00 0.00 176.54 177.25 1jye h ALA 253 N 1.09 0.75 -0.89 3.60 0.00 -0.55 -1.26 119.26 121.99 1jye h ALA 253 Ca 0.19 -0.11 -0.00 0.00 0.00 0.00 0.00 54.91 54.98 1jye h ALA 253 Cb 0.18 -0.23 -0.04 0.00 0.00 0.00 0.00 17.79 17.69 1jye h ALA 253 CO -0.02 0.29 0.54 0.52 0.00 0.00 0.00 179.25 180.58 1jye h MET 254 N 0.79 1.21 -0.48 0.00 2.07 -0.50 0.24 114.93 118.27 1jye h MET 254 Ca 0.20 -0.11 -0.07 0.00 -2.07 0.00 0.00 59.70 57.65 1jye h MET 254 Cb 0.08 -0.25 -0.02 0.00 -1.87 0.00 0.00 31.60 29.54 1jye h MET 254 CO -0.03 0.84 0.01 -0.09 1.07 0.00 0.00 176.91 178.72 1jye h ARG 255 N 1.23 0.83 -0.31 1.72 2.43 -0.81 -1.19 114.38 118.28 1jye h ARG 255 Ca 0.32 -0.26 -0.00 0.00 -0.81 0.00 0.00 59.98 59.23 1jye h ARG 255 Cb -0.05 -0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 29.40 1jye h ARG 255 CO -0.06 0.87 0.18 0.00 -1.51 0.00 0.00 179.97 179.46 1jye h ALA 256 N 0.93 0.39 -0.07 2.80 0.00 -0.55 -0.08 119.26 122.67 1jye h ALA 256 Ca 0.14 -0.05 0.02 0.00 0.00 0.00 0.00 54.91 55.02 1jye h ALA 256 Cb 0.49 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.13 1jye h ALA 256 CO 0.02 -0.10 -0.06 0.82 0.00 0.00 0.00 179.25 179.93 1jye h ILE 257 N 0.39 0.83 -0.38 0.00 2.04 -0.85 -1.70 117.51 117.85 1jye h ILE 257 Ca 0.11 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.96 1jye h ILE 257 Cb 0.02 0.83 -0.02 0.00 -0.74 0.00 0.00 36.82 36.90 1jye h ILE 257 CO -0.02 0.00 0.21 0.74 0.00 0.00 0.00 178.15 179.07 1jye h THR 258 N -0.07 1.15 0.00 -0.27 2.02 -0.97 -2.07 112.91 112.70 1jye h THR 258 Ca 0.05 -0.40 0.00 0.00 0.77 0.00 0.00 66.41 66.83 1jye h THR 258 Cb 0.14 0.72 0.00 0.00 -1.74 0.00 0.00 68.15 67.27 1jye h THR 258 CO -0.12 0.16 0.00 -0.33 0.37 0.00 0.00 175.52 175.60 1jye h GLU 259 N 0.49 0.00 -0.09 6.66 5.08 -0.89 -1.68 114.58 124.15 1jye h GLU 259 Ca 0.13 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.49 1jye h GLU 259 Cb 0.07 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.32 1jye h GLU 259 CO -0.02 0.00 0.00 0.43 -1.00 0.00 0.00 179.01 178.42 1jye n SER 260 N -2.37 1.06 0.00 1.42 7.64 -0.65 -4.89 113.62 115.83 1jye n SER 260 Ca 0.02 -1.55 0.00 0.00 1.01 0.00 0.00 58.87 58.35 1jye n SER 260 Cb 0.25 -0.05 0.00 0.00 -1.01 0.00 0.00 64.21 63.40 1jye n SER 260 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1jye n GLY 261 N 1.03 0.56 3.65 0.23 0.00 -0.63 -5.06 105.19 104.96 1jye n GLY 261 Ca 0.16 -0.63 -0.23 0.00 0.00 0.00 0.00 46.02 45.32 1jye n GLY 261 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1jye s LEU 262 N 0.00 3.17 -0.22 0.99 1.43 -0.83 -5.04 118.68 118.18 1jye s LEU 262 Ca 0.00 -0.71 -0.10 0.00 -1.03 0.00 0.00 54.13 52.30 1jye s LEU 262 Cb 0.00 -1.67 -0.05 0.00 0.03 0.00 0.00 46.19 44.50 1jye s LEU 262 CO 0.00 -0.06 0.13 -0.13 0.23 0.00 0.00 176.35 176.52 1jye s ARG 263 N -3.70 4.08 0.09 1.70 0.52 -1.26 -3.71 118.95 116.68 1jye s ARG 263 Ca 0.33 -0.27 -0.31 0.00 -0.52 0.00 0.00 55.73 54.95 1jye s ARG 263 Cb -0.05 -3.45 -0.08 0.00 0.52 0.00 0.00 34.95 31.89 1jye s ARG 263 CO 0.20 0.15 1.41 0.08 0.02 0.00 0.00 175.30 177.16 1jye s VAL 264 N 0.77 3.34 0.00 3.52 1.01 -1.26 -1.03 120.40 126.75 1jye s VAL 264 Ca 0.07 0.93 0.00 0.00 0.00 0.00 0.00 61.98 62.98 1jye s VAL 264 Cb -0.13 -3.59 0.00 0.00 0.00 0.00 0.00 36.38 32.66 1jye s VAL 264 CO 0.02 0.06 0.00 0.61 0.00 0.00 0.00 175.10 175.78 1jye n GLY 265 N 3.55 1.90 0.31 4.51 0.00 0.39 -4.69 105.19 111.15 1jye n GLY 265 Ca 0.12 -0.62 -0.06 0.00 0.00 0.00 0.00 46.02 45.46 1jye n GLY 265 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jye h ALA 266 N 0.00 0.93 0.00 4.61 0.00 -1.90 -3.34 119.26 119.56 1jye h ALA 266 Ca 0.00 -0.16 -0.46 0.00 0.00 0.00 0.00 54.91 54.29 1jye h ALA 266 Cb 0.00 -0.28 -0.07 0.00 0.00 0.00 0.00 17.79 17.44 1jye h ALA 266 CO 0.00 0.52 -2.50 -0.25 0.00 0.00 0.00 179.25 177.02 1jye n ASP 267 N -4.39 1.96 -3.79 0.00 10.43 -0.20 -4.92 116.55 115.63 1jye n ASP 267 Ca 0.06 0.33 -0.27 0.00 2.57 0.00 0.00 54.79 57.48 1jye n ASP 267 Cb 0.15 -0.81 -0.17 0.00 1.84 0.00 0.00 41.12 42.13 1jye n ASP 267 CO 0.00 0.00 0.00 -0.63 -1.07 0.00 0.00 177.20 175.50 1jye s ILE 268 N -2.50 0.68 0.47 0.53 1.01 -0.81 -4.63 121.20 115.95 1jye s ILE 268 Ca -0.38 -0.43 -0.20 0.00 0.00 0.00 0.00 60.65 59.64 1jye s ILE 268 Cb 0.14 -1.00 -0.09 0.00 0.01 0.00 0.00 42.46 41.52 1jye s ILE 268 CO 0.50 0.01 0.99 -0.44 0.00 0.00 0.00 174.94 176.00 1jye s SER 269 N 1.81 6.61 -0.02 3.58 0.01 0.58 -0.46 113.70 125.80 1jye s SER 269 Ca 0.01 1.76 0.01 0.00 1.31 0.00 0.00 55.95 59.04 1jye s SER 269 Cb -0.15 -2.54 0.01 0.00 0.21 0.00 0.00 66.02 63.55 1jye s SER 269 CO -0.07 -0.60 -0.02 -0.69 0.41 0.00 0.00 173.24 172.28 1jye s VAL 270 N -2.20 0.23 -0.12 3.43 1.01 0.33 -0.36 120.40 122.73 1jye s VAL 270 Ca 0.63 -0.03 0.03 0.00 0.00 0.00 0.00 61.98 62.61 1jye s VAL 270 Cb -0.12 -0.26 0.01 0.00 0.00 0.00 0.00 36.38 36.01 1jye s VAL 270 CO 0.20 0.11 -0.20 -0.69 0.00 0.00 0.00 175.10 174.52 1jye s VAL 271 N 0.49 1.88 0.00 2.92 1.01 -0.55 -4.30 120.40 121.85 1jye s VAL 271 Ca -0.05 -0.88 0.00 0.00 0.00 0.00 0.00 61.98 61.05 1jye s VAL 271 Cb -0.08 -1.66 0.00 0.00 0.00 0.00 0.00 36.38 34.64 1jye s VAL 271 CO -0.01 0.52 0.00 0.61 0.00 0.00 0.00 175.10 176.22 1jye n GLY 272 N 3.94 1.63 3.60 4.51 0.00 -0.11 -0.78 105.19 117.98 1jye n GLY 272 Ca -0.20 -1.98 -0.05 0.00 0.00 0.00 0.00 46.02 43.79 1jye n GLY 272 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1jye s TYR 273 N 1.87 -1.11 0.00 1.61 6.14 -1.25 -3.39 117.35 121.22 1jye s TYR 273 Ca 0.00 2.11 0.00 0.00 0.64 0.00 0.00 57.07 59.82 1jye s TYR 273 Cb 0.00 0.65 0.00 0.00 0.42 0.00 0.00 41.96 43.03 1jye s TYR 273 CO 0.00 -0.56 0.00 -0.25 0.64 0.00 0.00 175.55 175.38 1jye n ASP 274 N 4.70 0.00 -2.45 4.32 8.00 0.23 -1.38 116.55 129.98 1jye n ASP 274 Ca -0.17 0.00 -0.07 0.00 0.71 0.00 0.00 54.79 55.25 1jye n ASP 274 Cb 0.55 0.00 0.03 0.00 -0.02 0.00 0.00 41.12 41.69 1jye n ASP 274 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 1jye n ASP 275 N 0.00 -4.62 -4.77 -2.24 2.03 -1.17 -1.56 116.55 104.21 1jye n ASP 275 Ca 0.00 -0.35 -0.31 0.00 0.52 0.00 0.00 54.79 54.65 1jye n ASP 275 Cb 0.00 -3.12 0.08 0.00 -0.72 0.00 0.00 41.12 37.37 1jye n ASP 275 CO 0.00 0.00 0.00 0.42 -1.92 0.00 0.00 177.20 175.70 1jye s THR 276 N -3.19 3.31 0.24 5.18 -4.23 -1.26 -4.86 115.64 110.83 1jye s THR 276 Ca 0.22 0.46 -0.05 0.00 -1.18 0.00 0.00 61.69 61.14 1jye s THR 276 Cb -0.03 -2.95 0.22 0.00 1.34 0.00 0.00 72.50 71.07 1jye s THR 276 CO 0.41 -0.52 1.84 -0.33 -0.54 0.00 0.00 174.62 175.48 1jye h GLU 277 N -0.89 0.91 -0.03 3.99 5.08 -2.03 -1.89 114.58 119.72 1jye h GLU 277 Ca -0.44 -0.05 -0.04 0.00 -1.00 0.00 0.00 59.36 57.82 1jye h GLU 277 Cb 1.23 -0.20 -0.01 0.00 0.50 0.00 0.00 28.75 30.27 1jye h GLU 277 CO 0.52 0.60 -0.20 -0.44 -1.00 0.00 0.00 179.01 178.49 1jye h ASP 278 N 0.93 0.04 -0.44 1.42 3.45 -2.00 -3.19 116.42 116.63 1jye h ASP 278 Ca 0.38 -0.01 0.13 0.00 0.43 0.00 0.00 57.03 57.96 1jye h ASP 278 Cb 0.22 -0.01 -0.02 0.00 -0.56 0.00 0.00 39.33 38.96 1jye h ASP 278 CO -0.19 0.24 0.35 0.77 -1.57 0.00 0.00 179.24 178.84 1jye h SER 279 N 0.04 0.00 0.77 6.45 4.64 -1.69 0.13 113.55 123.88 1jye h SER 279 Ca 0.01 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.33 1jye h SER 279 Cb 0.37 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.46 1jye h SER 279 CO 0.03 0.00 0.00 -1.54 -0.87 0.00 0.00 176.83 174.45 1jye n SER 280 N -4.17 0.55 -0.35 4.97 3.41 -1.21 -2.26 113.62 114.56 1jye n SER 280 Ca 0.08 0.62 0.06 0.00 -0.26 0.00 0.00 58.87 59.37 1jye n SER 280 Cb 0.55 -0.75 0.14 0.00 -0.26 0.00 0.00 64.21 63.89 1jye n SER 280 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1jye s TYR 282 N -2.07 2.30 -0.35 0.00 2.02 -1.14 -4.88 117.35 113.24 1jye s TYR 282 Ca 0.25 1.03 0.01 0.00 -0.37 0.00 0.00 57.07 57.99 1jye s TYR 282 Cb 0.20 -3.25 0.09 0.00 -0.40 0.00 0.00 41.96 38.59 1jye s TYR 282 CO 0.06 -2.58 0.08 0.42 -1.57 0.00 0.00 175.55 171.96 1jye s ILE 283 N -3.04 2.70 0.72 2.71 1.01 -1.26 -1.50 121.20 122.54 1jye s ILE 283 Ca 0.64 -2.05 -0.07 0.00 0.00 0.00 0.00 60.65 59.18 1jye s ILE 283 Cb -0.17 -2.84 0.08 0.00 0.01 0.00 0.00 42.46 39.53 1jye s ILE 283 CO 0.56 -0.51 1.03 -2.16 0.00 0.00 0.00 174.94 173.86 1jye s PRO 284 N 1.05 2.03 0.20 2.79 0.04 -1.26 -4.99 135.00 134.86 1jye s PRO 284 Ca 0.06 -0.37 -0.32 0.00 0.04 0.00 0.00 61.00 60.41 1jye s PRO 284 Cb -0.20 -2.17 -0.15 0.00 0.04 0.00 0.00 34.50 32.02 1jye s PRO 284 CO -0.05 -1.34 1.21 -2.30 0.04 0.00 0.00 177.00 174.55 1jye n PRO 285 N -2.96 1.40 -3.00 0.56 -0.02 -0.56 -4.75 135.00 125.67 1jye n PRO 285 Ca 0.09 0.50 -0.41 0.00 -2.02 0.00 0.00 63.50 61.67 1jye n PRO 285 Cb 0.60 -2.02 -0.05 0.00 -0.02 0.00 0.00 33.50 32.02 1jye n PRO 285 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 1jye s LEU 286 N 0.49 4.21 0.14 2.45 2.96 -0.96 -0.91 118.68 127.06 1jye s LEU 286 Ca 0.70 1.08 -0.30 0.00 -0.22 0.00 0.00 54.13 55.39 1jye s LEU 286 Cb -0.78 -3.09 -0.07 0.00 0.50 0.00 0.00 46.19 42.74 1jye s LEU 286 CO 0.52 -0.28 1.18 -0.89 -1.32 0.00 0.00 176.35 175.56 1jye s THR 287 N 1.68 3.78 0.34 3.68 2.01 -1.26 -4.55 115.64 121.32 1jye s THR 287 Ca 0.35 1.43 -0.08 0.00 0.31 0.00 0.00 61.69 63.71 1jye s THR 287 Cb -0.17 -3.91 0.03 0.00 0.01 0.00 0.00 72.50 68.46 1jye s THR 287 CO 0.14 0.19 0.58 1.07 -0.69 0.00 0.00 174.62 175.91 1jye n THR 288 N 2.93 0.00 -3.85 -0.82 5.66 -0.53 -0.94 114.28 116.75 1jye n THR 288 Ca 0.05 -1.22 -0.36 0.00 -3.05 0.00 0.00 64.05 59.47 1jye n THR 288 Cb 0.46 0.93 -0.13 0.00 -1.55 0.00 0.00 70.33 70.03 1jye n THR 288 CO 0.00 0.00 0.00 -0.63 -3.05 0.00 0.00 175.07 171.39 1jye s ILE 289 N -2.47 3.71 -0.11 1.09 -1.09 -1.22 -0.32 121.20 120.79 1jye s ILE 289 Ca 0.20 -0.42 -0.30 0.00 -2.23 0.00 0.00 60.65 57.90 1jye s ILE 289 Cb -0.03 -2.73 -0.02 0.00 -1.58 0.00 0.00 42.46 38.11 1jye s ILE 289 CO 0.14 0.36 1.07 -0.75 -1.23 0.00 0.00 174.94 174.54 1jye s LYS 290 N 1.52 4.38 -0.27 2.79 2.20 0.61 0.76 119.74 131.73 1jye s LYS 290 Ca 0.06 1.48 0.01 0.00 -0.36 0.00 0.00 55.97 57.16 1jye s LYS 290 Cb -0.15 -3.56 0.06 0.00 -1.51 0.00 0.00 37.83 32.66 1jye s LYS 290 CO -0.01 -0.40 -0.08 -0.65 -0.36 0.00 0.00 175.35 173.86 1jye s GLN 291 N 2.24 2.33 -1.21 4.03 -0.21 -0.60 -3.22 119.66 123.00 1jye s GLN 291 Ca 0.50 -1.31 -0.20 0.00 0.02 0.00 0.00 55.36 54.38 1jye s GLN 291 Cb -0.20 -2.97 0.02 0.00 1.00 0.00 0.00 33.01 30.86 1jye s GLN 291 CO 0.18 -0.57 1.76 0.34 -2.12 0.00 0.00 175.29 174.88 1jye s ASP 292 N 1.15 6.23 0.42 5.90 3.68 -1.26 -4.79 116.67 128.01 1jye s ASP 292 Ca -0.07 -2.03 0.10 0.00 2.13 0.00 0.00 52.55 52.68 1jye s ASP 292 Cb -0.20 -2.58 0.94 0.00 -1.45 0.00 0.00 42.92 39.63 1jye s ASP 292 CO -0.04 -1.80 2.04 -0.26 0.13 0.00 0.00 175.17 175.25 1jye h PHE 293 N 8.61 0.46 -0.42 -5.34 0.04 -1.93 -1.64 116.94 116.72 1jye h PHE 293 Ca 0.34 0.01 -0.03 0.00 2.80 0.00 0.00 57.97 61.09 1jye h PHE 293 Cb 0.91 -0.15 -0.02 0.00 2.20 0.00 0.00 35.95 38.89 1jye h PHE 293 CO 1.34 0.27 0.16 -0.09 -0.60 0.00 0.00 178.31 179.39 1jye h ARG 294 N 0.47 0.64 -0.61 1.51 2.43 -1.87 -0.51 114.38 116.44 1jye h ARG 294 Ca 0.18 -0.12 -0.02 0.00 -0.81 0.00 0.00 59.98 59.20 1jye h ARG 294 Cb 0.12 -0.10 -0.03 0.00 -0.42 0.00 0.00 29.97 29.54 1jye h ARG 294 CO -0.04 0.60 0.30 1.25 -1.51 0.00 0.00 179.97 180.56 1jye h LEU 295 N 0.54 0.80 -0.01 3.80 5.85 -1.74 -0.61 115.31 123.94 1jye h LEU 295 Ca 0.14 -0.13 -0.00 0.00 0.84 0.00 0.00 57.88 58.73 1jye h LEU 295 Cb 0.21 -0.20 -0.00 0.00 0.37 0.00 0.00 40.66 41.03 1jye h LEU 295 CO -0.01 0.70 0.01 0.25 -0.34 0.00 0.00 178.44 179.05 1jye h LEU 296 N 0.83 0.01 -0.29 2.25 5.85 -1.01 0.80 115.31 123.77 1jye h LEU 296 Ca 0.21 -0.03 -0.01 0.00 0.84 0.00 0.00 57.88 58.89 1jye h LEU 296 Cb 0.12 -0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.13 1jye h LEU 296 CO -0.03 0.04 0.15 1.23 -0.34 0.00 0.00 178.44 179.50 1jye h GLY 297 N -0.02 0.44 0.88 3.75 0.00 -0.96 -0.25 103.07 106.91 1jye h GLY 297 Ca 0.00 -0.20 0.01 0.00 0.00 0.00 0.00 47.33 47.14 1jye h GLY 297 CO -0.00 0.19 -0.05 -1.61 0.00 0.00 0.00 176.54 175.07 1jye h GLN 298 N 0.35 -0.10 -0.55 4.80 4.15 -1.00 -2.73 115.11 120.03 1jye h GLN 298 Ca 0.10 0.01 -0.02 0.00 0.77 0.00 0.00 58.65 59.51 1jye h GLN 298 Cb 0.08 0.02 -0.03 0.00 0.21 0.00 0.00 27.48 27.76 1jye h GLN 298 CO -0.02 -0.07 0.27 1.15 -1.93 0.00 0.00 178.83 178.24 1jye h THR 299 N -0.10 1.18 -0.48 2.39 2.02 -0.69 -2.54 112.91 114.69 1jye h THR 299 Ca 0.02 -0.50 -0.02 0.00 0.77 0.00 0.00 66.41 66.68 1jye h THR 299 Cb 0.12 0.48 -0.02 0.00 -1.74 0.00 0.00 68.15 66.98 1jye h THR 299 CO -0.04 0.21 0.22 0.77 0.37 0.00 0.00 175.52 177.05 1jye h SER 300 N 0.77 0.61 -0.08 4.18 4.64 -0.73 0.31 113.55 123.24 1jye h SER 300 Ca 0.19 -0.06 -0.04 0.00 -0.47 0.00 0.00 61.79 61.41 1jye h SER 300 Cb 0.07 -0.15 -0.00 0.00 -0.31 0.00 0.00 62.40 62.01 1jye h SER 300 CO -0.03 0.53 -0.12 0.58 -0.87 0.00 0.00 176.83 176.92 1jye h VAL 301 N 0.68 1.39 -0.59 0.95 2.07 -1.29 -0.50 116.25 118.96 1jye h VAL 301 Ca 0.17 -1.36 0.04 0.00 0.82 0.00 0.00 66.70 66.37 1jye h VAL 301 Cb 0.09 2.10 -0.04 0.00 -1.52 0.00 0.00 31.29 31.91 1jye h VAL 301 CO -0.02 0.38 0.34 0.44 0.02 0.00 0.00 177.57 178.73 1jye h ASP 302 N -0.23 0.52 -0.34 0.57 3.32 -1.26 -1.74 116.42 117.26 1jye h ASP 302 Ca 0.01 0.02 -0.02 0.00 0.02 0.00 0.00 57.03 57.05 1jye h ASP 302 Cb 0.67 -0.09 -0.02 0.00 0.22 0.00 0.00 39.33 40.12 1jye h ASP 302 CO 0.03 0.36 0.13 -0.09 -1.72 0.00 0.00 179.24 177.94 1jye h ARG 303 N 0.65 0.52 -0.53 3.56 9.65 -0.90 -1.80 114.38 125.53 1jye h ARG 303 Ca 0.25 -0.10 0.00 0.00 -1.10 0.00 0.00 59.98 59.03 1jye h ARG 303 Cb 0.09 -0.08 -0.03 0.00 -1.39 0.00 0.00 29.97 28.57 1jye h ARG 303 CO -0.14 0.52 0.34 1.25 2.80 0.00 0.00 179.97 184.74 1jye h LEU 304 N 0.41 0.62 -0.93 3.80 5.85 -0.76 0.87 115.31 125.17 1jye h LEU 304 Ca 0.11 -0.04 -0.08 0.00 0.84 0.00 0.00 57.88 58.72 1jye h LEU 304 Cb 0.20 -0.16 -0.02 0.00 0.37 0.00 0.00 40.66 41.06 1jye h LEU 304 CO -0.01 0.48 -0.07 -0.07 -0.34 0.00 0.00 178.44 178.43 1jye h LEU 305 N 0.72 0.69 -0.51 2.25 3.38 -1.24 0.09 115.31 120.69 1jye h LEU 305 Ca 0.19 -0.18 -0.09 0.00 0.09 0.00 0.00 57.88 57.89 1jye h LEU 305 Cb -0.05 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.50 1jye h LEU 305 CO -0.04 0.80 -0.02 1.56 0.09 0.00 0.00 178.44 180.83 1jye h GLN 306 N 0.66 0.91 -0.80 1.13 1.08 -0.81 -2.33 115.11 114.94 1jye h GLN 306 Ca 0.12 -0.30 -0.02 0.00 -1.45 0.00 0.00 58.65 57.00 1jye h GLN 306 Cb 0.51 -0.08 -0.04 0.00 -0.05 0.00 0.00 27.48 27.82 1jye h GLN 306 CO 0.03 0.95 0.43 -0.07 -0.95 0.00 0.00 178.83 179.22 1jye h LEU 307 N 0.77 1.01 -1.95 1.46 3.38 -0.38 -0.44 115.31 119.17 1jye h LEU 307 Ca 0.14 -0.11 -0.02 0.00 0.09 0.00 0.00 57.88 57.99 1jye h LEU 307 Cb 0.55 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 41.04 1jye h LEU 307 CO 0.03 0.83 -0.08 0.77 0.09 0.00 0.00 178.44 180.08 1jye h SER 308 N 1.12 0.00 -0.30 -0.43 4.64 -0.69 -1.92 113.55 115.97 1jye h SER 308 Ca 0.28 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.60 1jye h SER 308 Cb 0.05 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.14 1jye h SER 308 CO -0.04 0.08 0.00 0.00 -0.87 0.00 0.00 176.83 176.00 1jye n GLN 309 N -3.41 2.28 -2.72 4.77 6.02 -0.80 -4.97 117.38 118.54 1jye n GLN 309 Ca -0.01 -2.09 -0.17 0.00 -0.01 0.00 0.00 57.00 54.71 1jye n GLN 309 Cb 0.24 -1.45 0.02 0.00 1.02 0.00 0.00 30.24 30.07 1jye n GLN 309 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1jye n GLY 310 N 1.27 -0.26 0.00 1.08 0.00 -0.58 -4.90 105.19 101.80 1jye n GLY 310 Ca 0.16 -0.10 0.00 0.00 0.00 0.00 0.00 46.02 46.08 1jye n GLY 310 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1jye n GLN 311 N -3.13 1.22 0.00 1.61 10.64 -0.28 -4.98 117.38 122.47 1jye n GLN 311 Ca -0.11 -0.99 0.00 0.00 -1.83 0.00 0.00 57.00 54.07 1jye n GLN 311 Cb 0.61 -0.92 0.00 0.00 -0.86 0.00 0.00 30.24 29.06 1jye n GLN 311 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 1jye n ALA 312 N -0.26 0.00 -2.61 2.61 0.00 -1.16 -4.93 120.51 114.16 1jye n ALA 312 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1jye n ALA 312 Cb 0.19 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.64 1jye n ALA 312 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 1jye n VAL 313 N 0.00 0.00 -2.68 0.00 0.24 -1.26 -5.02 118.33 109.61 1jye n VAL 313 Ca 0.00 0.00 -0.02 0.00 -2.04 0.00 0.00 64.34 62.28 1jye n VAL 313 Cb 0.00 0.00 0.03 0.00 -1.47 0.00 0.00 33.84 32.40 1jye n VAL 313 CO 0.00 0.00 0.00 -0.75 -2.14 0.00 0.00 176.83 173.94 1jye s LYS 314 N 4.63 0.16 0.00 7.34 2.47 -1.26 -5.00 119.74 128.09 1jye s LYS 314 Ca 0.00 -0.14 0.00 0.00 -1.56 0.00 0.00 55.97 54.27 1jye s LYS 314 Cb 0.00 -0.00 0.00 0.00 -1.46 0.00 0.00 37.83 36.37 1jye s LYS 314 CO 0.00 -0.21 0.00 0.41 0.16 0.00 0.00 175.35 175.71 1jye n GLY 315 N 2.83 -0.54 3.82 5.54 0.00 -1.26 -4.95 105.19 110.63 1jye n GLY 315 Ca 0.10 -0.91 -0.33 0.00 0.00 0.00 0.00 46.02 44.88 1jye n GLY 315 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1jye s ASN 316 N -4.00 5.87 -0.04 1.61 3.84 -1.26 -1.62 114.94 119.34 1jye s ASN 316 Ca 0.00 0.19 0.06 0.00 0.21 0.00 0.00 52.86 53.33 1jye s ASN 316 Cb 0.00 -1.73 -0.01 0.00 -0.55 0.00 0.00 41.25 38.96 1jye s ASN 316 CO 0.00 0.26 -0.23 -1.58 -2.79 0.00 0.00 177.10 172.76 1jye s GLN 317 N -1.84 2.23 -0.18 0.43 0.74 -0.34 -4.95 119.66 115.75 1jye s GLN 317 Ca 0.25 -0.84 -0.05 0.00 0.05 0.00 0.00 55.36 54.76 1jye s GLN 317 Cb -0.12 -1.97 -0.03 0.00 1.10 0.00 0.00 33.01 31.99 1jye s GLN 317 CO 0.16 0.40 0.01 -0.51 -0.55 0.00 0.00 175.29 174.80 1jye s LEU 318 N -0.25 3.40 -0.03 3.68 1.43 -1.26 -1.83 118.68 123.82 1jye s LEU 318 Ca 0.00 -0.11 -0.09 0.00 -1.03 0.00 0.00 54.13 52.90 1jye s LEU 318 Cb -0.12 -1.85 -0.05 0.00 0.03 0.00 0.00 46.19 44.20 1jye s LEU 318 CO 0.02 0.12 0.27 -0.76 0.23 0.00 0.00 176.35 176.23 1jye s LEU 319 N 0.67 4.40 0.74 1.79 1.43 0.52 -4.89 118.68 123.34 1jye s LEU 319 Ca 0.00 0.66 -0.11 0.00 -1.03 0.00 0.00 54.13 53.65 1jye s LEU 319 Cb -0.14 -2.48 0.04 0.00 0.03 0.00 0.00 46.19 43.63 1jye s LEU 319 CO 0.02 0.32 1.08 -2.16 0.23 0.00 0.00 176.35 175.83 1jye s PRO 320 N -1.36 2.53 0.23 1.29 0.04 -1.26 -0.98 135.00 135.49 1jye s PRO 320 Ca 0.23 1.02 0.02 0.00 0.04 0.00 0.00 61.00 62.31 1jye s PRO 320 Cb -0.14 -1.94 -0.05 0.00 0.04 0.00 0.00 34.50 32.41 1jye s PRO 320 CO 0.12 -1.41 0.04 0.14 0.04 0.00 0.00 177.00 175.93 1jye s VAL 321 N -2.99 0.79 0.09 -0.36 -7.23 -1.26 -4.74 120.40 104.70 1jye s VAL 321 Ca 0.60 -2.01 -0.09 0.00 -1.81 0.00 0.00 61.98 58.68 1jye s VAL 321 Cb -0.15 -2.42 -0.00 0.00 0.56 0.00 0.00 36.38 34.36 1jye s VAL 321 CO 0.55 -0.23 0.19 -0.94 -0.31 0.00 0.00 175.10 174.36 1jye s SER 322 N -3.29 0.12 -0.12 4.85 1.04 -1.20 -4.94 113.70 110.18 1jye s SER 322 Ca 0.31 -0.66 -0.18 0.00 0.48 0.00 0.00 55.95 55.90 1jye s SER 322 Cb 0.07 0.34 -0.04 0.00 0.10 0.00 0.00 66.02 66.48 1jye s SER 322 CO 0.10 -0.73 0.47 -0.22 0.98 0.00 0.00 173.24 173.84 1jye s LEU 323 N -2.86 4.28 -0.38 2.42 2.96 -1.26 -0.28 118.68 123.55 1jye s LEU 323 Ca 0.05 0.81 -0.05 0.00 -0.22 0.00 0.00 54.13 54.72 1jye s LEU 323 Cb 0.05 -2.69 0.07 0.00 0.50 0.00 0.00 46.19 44.12 1jye s LEU 323 CO -0.11 0.01 0.16 -0.69 -1.32 0.00 0.00 176.35 174.40 1jye s VAL 324 N 0.60 3.60 -0.18 1.68 1.01 0.56 -4.94 120.40 122.74 1jye s VAL 324 Ca 0.26 -1.54 -0.26 0.00 0.00 0.00 0.00 61.98 60.44 1jye s VAL 324 Cb -0.15 -3.22 -0.01 0.00 0.00 0.00 0.00 36.38 33.00 1jye s VAL 324 CO 0.10 -0.41 0.88 -0.54 0.00 0.00 0.00 175.10 175.13 1jye s LYS 325 N 1.30 4.30 0.00 2.72 1.02 -1.26 -1.45 119.74 126.37 1jye s LYS 325 Ca 0.02 1.11 0.00 0.00 0.02 0.00 0.00 55.97 57.12 1jye s LYS 325 Cb -0.22 -3.59 0.00 0.00 -0.52 0.00 0.00 37.83 33.51 1jye s LYS 325 CO -0.00 -0.39 0.00 0.54 -0.92 0.00 0.00 175.35 174.58 1jye n ARG 326 N 5.43 0.00 -0.15 1.68 1.74 -1.26 -4.94 116.66 119.15 1jye n ARG 326 Ca 0.06 0.00 0.06 0.00 -0.77 0.00 0.00 57.85 57.20 1jye n ARG 326 Cb 0.48 0.00 0.14 0.00 -1.02 0.00 0.00 32.46 32.06 1jye n ARG 326 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 1jye n LYS 327 N 0.00 2.43 -0.25 5.56 4.76 -0.09 -4.60 118.16 125.96 1jye n LYS 327 Ca 0.00 -1.91 0.11 0.00 -2.87 0.00 0.00 58.31 53.63 1jye n LYS 327 Cb 0.00 -1.28 0.25 0.00 -1.84 0.00 0.00 35.03 32.16 1jye n LYS 327 CO 0.00 0.00 0.00 0.25 -1.37 0.00 0.00 177.40 176.28 1jye n THR 328 N 0.60 0.74 -3.91 -0.18 -2.24 -1.11 -4.68 114.28 103.50 1jye n THR 328 Ca 0.11 -0.87 -0.26 0.00 -2.27 0.00 0.00 64.05 60.76 1jye n THR 328 Cb 0.41 0.75 -0.17 0.00 -2.10 0.00 0.00 70.33 69.22 1jye n THR 328 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 1jye s THR 329 N -1.21 0.96 0.19 4.28 -4.23 -1.26 -0.51 115.64 113.85 1jye s THR 329 Ca 0.40 -0.25 -0.03 0.00 -1.18 0.00 0.00 61.69 60.63 1jye s THR 329 Cb 0.22 -0.99 -0.03 0.00 1.34 0.00 0.00 72.50 73.04 1jye s THR 329 CO 0.30 0.36 0.16 -0.76 -0.54 0.00 0.00 174.62 174.14 1jye s LEU 330 N 1.71 1.19 0.66 4.79 1.43 -1.26 -5.00 118.68 122.20 1jye s LEU 330 Ca 0.04 -1.26 -0.18 0.00 -1.03 0.00 0.00 54.13 51.70 1jye s LEU 330 Cb -0.13 0.56 -0.00 0.00 0.03 0.00 0.00 46.19 46.65 1jye s LEU 330 CO -0.08 -0.85 1.27 0.00 0.23 0.00 0.00 176.35 176.92 1jye s ALA 331 N -4.11 2.34 -2.00 4.21 0.00 -1.26 -4.86 121.76 116.08 1jye s ALA 331 Ca 0.32 1.14 0.04 0.00 0.00 0.00 0.00 51.96 53.46 1jye s ALA 331 Cb 0.06 -3.53 0.25 0.00 0.00 0.00 0.00 23.12 19.90 1jye s ALA 331 CO 0.09 -1.61 0.73 -0.35 0.00 0.00 0.00 175.76 174.61