#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x36 n GLY 72 N 0.00 1.09 1.63 0.00 0.00 -1.26 -4.83 105.19 101.82 1x36 n GLY 72 Ca 0.00 0.49 0.00 0.00 0.00 0.00 0.00 46.02 46.51 1x36 n GLY 72 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1x36 n GLY 73 N 0.00 2.75 3.71 -0.02 0.00 -1.26 -5.03 105.19 105.34 1x36 n GLY 73 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 1x36 n GLY 73 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1x36 s ILE 74 N -2.21 5.27 -0.30 -0.61 1.01 -1.26 -4.26 121.20 118.83 1x36 s ILE 74 Ca 0.00 0.63 -0.04 0.00 0.00 0.00 0.00 60.65 61.24 1x36 s ILE 74 Cb 0.00 -3.68 0.04 0.00 0.01 0.00 0.00 42.46 38.83 1x36 s ILE 74 CO 0.00 0.34 0.03 -0.89 0.00 0.00 0.00 174.94 174.43 1x36 s THR 75 N 0.72 3.34 -0.09 2.92 2.01 -0.61 -4.95 115.64 118.98 1x36 s THR 75 Ca 0.18 -1.15 -0.11 0.00 0.31 0.00 0.00 61.69 60.92 1x36 s THR 75 Cb -0.14 -2.85 -0.05 0.00 0.01 0.00 0.00 72.50 69.48 1x36 s THR 75 CO 0.06 -0.05 0.26 -0.69 -0.69 0.00 0.00 174.62 173.50 1x36 s VAL 76 N 1.34 5.31 -0.03 3.82 1.01 -1.26 -0.89 120.40 129.70 1x36 s VAL 76 Ca -0.02 0.48 -0.01 0.00 0.00 0.00 0.00 61.98 62.42 1x36 s VAL 76 Cb -0.19 -3.55 0.02 0.00 0.00 0.00 0.00 36.38 32.66 1x36 s VAL 76 CO 0.00 0.56 0.06 -0.22 0.00 0.00 0.00 175.10 175.50 1x36 s LEU 77 N -0.73 1.40 -0.13 3.92 0.20 -0.41 -4.99 118.68 117.95 1x36 s LEU 77 Ca 0.18 0.12 0.02 0.00 0.69 0.00 0.00 54.13 55.14 1x36 s LEU 77 Cb -0.14 0.13 0.01 0.00 -0.43 0.00 0.00 46.19 45.77 1x36 s LEU 77 CO 0.07 -0.07 -0.19 -0.89 -0.29 0.00 0.00 176.35 174.97 1x36 s THR 78 N 0.54 1.82 0.14 3.68 2.01 -1.26 -0.49 115.64 122.08 1x36 s THR 78 Ca -0.04 -0.83 -0.24 0.00 0.31 0.00 0.00 61.69 60.88 1x36 s THR 78 Cb -0.06 -1.63 0.07 0.00 0.01 0.00 0.00 72.50 70.89 1x36 s THR 78 CO -0.02 0.50 0.70 -2.28 -0.69 0.00 0.00 174.62 172.83 1x36 s HIS 79 N 0.88 -0.42 0.10 4.92 5.04 -0.25 -5.00 115.29 120.57 1x36 s HIS 79 Ca -0.07 0.18 0.07 0.00 -1.54 0.00 0.00 55.06 53.70 1x36 s HIS 79 Cb -0.15 0.58 -0.03 0.00 0.04 0.00 0.00 32.58 33.02 1x36 s HIS 79 CO -0.02 -0.85 -0.17 -1.12 -2.34 0.00 0.00 174.74 170.25 1x36 s SER 80 N -2.73 2.17 0.16 9.88 0.01 -1.26 -0.94 113.70 120.99 1x36 s SER 80 Ca 0.04 -0.71 -0.24 0.00 1.31 0.00 0.00 55.95 56.36 1x36 s SER 80 Cb -0.02 -0.10 0.06 0.00 0.21 0.00 0.00 66.02 66.18 1x36 s SER 80 CO -0.08 -0.03 0.69 -1.83 0.41 0.00 0.00 173.24 172.39 1x36 s GLU 81 N -2.09 1.31 0.29 12.44 -1.05 -0.83 -4.99 118.70 123.77 1x36 s GLU 81 Ca 0.05 -0.56 -0.29 0.00 -0.15 0.00 0.00 54.97 54.02 1x36 s GLU 81 Cb -0.09 0.55 -0.10 0.00 -0.44 0.00 0.00 34.13 34.05 1x36 s GLU 81 CO 0.04 -0.58 1.45 -1.17 0.95 0.00 0.00 175.26 175.94 1x36 s LEU 82 N -2.75 4.38 -0.03 1.83 2.96 -1.26 -1.37 118.68 122.44 1x36 s LEU 82 Ca 0.04 2.77 0.02 0.00 -0.22 0.00 0.00 54.13 56.74 1x36 s LEU 82 Cb -0.02 -3.64 -0.03 0.00 0.50 0.00 0.00 46.19 43.00 1x36 s LEU 82 CO -0.08 -0.73 0.01 -0.24 -1.32 0.00 0.00 176.35 173.99 1x36 n SER 83 N 1.75 4.26 -3.60 3.68 2.88 0.46 -4.62 113.62 118.43 1x36 n SER 83 Ca 0.05 -0.00 -0.10 0.00 -1.33 0.00 0.00 58.87 57.48 1x36 n SER 83 Cb 0.40 0.50 -0.06 0.00 -0.75 0.00 0.00 64.21 64.30 1x36 n SER 83 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1x36 s ALA 84 N -2.07 -1.94 0.01 -1.46 0.00 -0.64 -4.87 121.76 110.80 1x36 s ALA 84 Ca -0.02 1.67 -0.16 0.00 0.00 0.00 0.00 51.96 53.45 1x36 s ALA 84 Cb 0.01 -0.93 -0.06 0.00 0.00 0.00 0.00 23.12 22.14 1x36 s ALA 84 CO 0.11 -0.29 0.45 -1.21 0.00 0.00 0.00 175.76 174.83 1x36 s GLU 85 N -0.66 4.01 -0.06 0.00 0.41 -1.26 -0.37 118.70 120.78 1x36 s GLU 85 Ca -0.00 0.50 0.06 0.00 -0.41 0.00 0.00 54.97 55.12 1x36 s GLU 85 Cb -0.02 -3.24 -0.01 0.00 -1.78 0.00 0.00 34.13 29.08 1x36 s GLU 85 CO -0.01 0.65 -0.25 0.42 -0.49 0.00 0.00 175.26 175.59 1x36 s ILE 86 N -1.01 2.10 0.06 -1.63 -1.09 0.80 -4.92 121.20 115.52 1x36 s ILE 86 Ca 0.25 -1.05 0.03 0.00 -2.23 0.00 0.00 60.65 57.65 1x36 s ILE 86 Cb -0.17 -1.76 -0.03 0.00 -1.58 0.00 0.00 42.46 38.92 1x36 s ILE 86 CO 0.15 0.57 -0.10 -0.83 -1.23 0.00 0.00 174.94 173.50 1x36 s GLY 87 N -0.19 0.67 0.15 6.18 0.00 -1.26 -0.63 107.32 112.24 1x36 s GLY 87 Ca -0.03 -0.93 0.10 0.00 0.00 0.00 0.00 44.72 43.86 1x36 s GLY 87 CO 0.03 -0.98 -0.19 -1.34 0.00 0.00 0.00 173.10 170.62 1x36 s VAL 88 N -1.65 2.69 0.35 1.40 -7.23 -0.02 -4.77 120.40 111.18 1x36 s VAL 88 Ca -0.04 -1.72 0.04 0.00 -1.81 0.00 0.00 61.98 58.45 1x36 s VAL 88 Cb -0.08 -2.27 -0.03 0.00 0.56 0.00 0.00 36.38 34.56 1x36 s VAL 88 CO 0.01 -0.01 0.17 0.42 -0.31 0.00 0.00 175.10 175.38 1x36 s THR 89 N -1.40 0.36 -2.05 5.32 -4.23 -1.26 -0.62 115.64 111.76 1x36 s THR 89 Ca 0.20 -2.00 0.16 0.00 -1.18 0.00 0.00 61.69 58.86 1x36 s THR 89 Cb -0.09 -2.45 0.42 0.00 1.34 0.00 0.00 72.50 71.72 1x36 s THR 89 CO 0.10 0.00 1.55 -0.90 -0.54 0.00 0.00 174.62 174.84 1x36 n ASP 90 N -1.20 0.36 -3.94 3.99 5.68 0.15 -0.61 116.55 120.98 1x36 n ASP 90 Ca -0.00 -1.59 -0.11 0.00 -0.50 0.00 0.00 54.79 52.60 1x36 n ASP 90 Cb 0.64 -0.03 -0.12 0.00 -1.14 0.00 0.00 41.12 40.47 1x36 n ASP 90 CO 0.00 0.00 0.00 -0.94 -1.33 0.00 0.00 177.20 174.93 1x36 s SER 91 N -1.46 0.17 0.23 -1.12 1.04 -1.26 -4.53 113.70 106.76 1x36 s SER 91 Ca 0.24 -0.29 -0.31 0.00 0.48 0.00 0.00 55.95 56.07 1x36 s SER 91 Cb 0.11 0.05 -0.14 0.00 0.10 0.00 0.00 66.02 66.15 1x36 s SER 91 CO 0.19 -0.16 1.38 0.00 0.98 0.00 0.00 173.24 175.63 1x36 n ILE 92 N 2.24 0.95 -3.82 -1.02 3.06 -1.25 -4.61 119.36 114.91 1x36 n ILE 92 Ca -0.19 -0.24 -0.28 0.00 -2.50 0.00 0.00 62.75 59.54 1x36 n ILE 92 Cb 0.57 -1.42 -0.16 0.00 0.54 0.00 0.00 39.64 39.17 1x36 n ILE 92 CO 0.00 0.00 0.00 -0.69 -2.50 0.00 0.00 176.55 173.36 1x36 s VAL 93 N -0.08 0.86 -0.14 9.51 1.01 -0.41 -4.97 120.40 126.19 1x36 s VAL 93 Ca 0.68 -0.67 -0.06 0.00 0.00 0.00 0.00 61.98 61.94 1x36 s VAL 93 Cb -0.67 -1.22 -0.04 0.00 0.00 0.00 0.00 36.38 34.46 1x36 s VAL 93 CO 0.50 -0.08 0.07 -0.69 0.00 0.00 0.00 175.10 174.91 1x36 s VAL 94 N 1.72 4.93 0.24 2.92 1.01 -1.26 -1.79 120.40 128.16 1x36 s VAL 94 Ca -0.01 -0.00 -0.06 0.00 0.00 0.00 0.00 61.98 61.91 1x36 s VAL 94 Cb -0.17 -3.16 -0.02 0.00 0.00 0.00 0.00 36.38 33.03 1x36 s VAL 94 CO -0.07 0.55 0.31 -0.94 0.00 0.00 0.00 175.10 174.95 1x36 s SER 95 N -0.40 0.18 0.04 3.32 1.04 0.48 -5.00 113.70 113.36 1x36 s SER 95 Ca 0.10 -1.23 -0.20 0.00 0.48 0.00 0.00 55.95 55.10 1x36 s SER 95 Cb -0.12 0.50 0.04 0.00 0.10 0.00 0.00 66.02 66.54 1x36 s SER 95 CO 0.02 -1.02 0.47 -0.94 0.98 0.00 0.00 173.24 172.75 1x36 s SER 96 N -3.12 -0.37 0.02 7.02 1.04 -1.26 -0.01 113.70 117.03 1x36 s SER 96 Ca 0.31 0.10 0.02 0.00 0.48 0.00 0.00 55.95 56.87 1x36 s SER 96 Cb 0.03 0.46 -0.01 0.00 0.10 0.00 0.00 66.02 66.59 1x36 s SER 96 CO 0.12 -0.68 -0.07 -1.61 0.98 0.00 0.00 173.24 171.97 1x36 s GLU 97 N -2.40 0.53 0.38 4.02 2.02 -0.55 -4.95 118.70 117.75 1x36 s GLU 97 Ca -0.06 -0.47 -0.26 0.00 0.02 0.00 0.00 54.97 54.20 1x36 s GLU 97 Cb -0.01 -0.43 -0.09 0.00 0.10 0.00 0.00 34.13 33.70 1x36 s GLU 97 CO -0.02 0.10 1.16 -0.51 0.02 0.00 0.00 175.26 176.01 1x36 s LEU 98 N -0.80 4.24 -1.15 1.80 1.43 -1.26 -0.35 118.68 122.59 1x36 s LEU 98 Ca -0.03 2.32 -0.07 0.00 -1.03 0.00 0.00 54.13 55.32 1x36 s LEU 98 Cb -0.06 -3.98 0.25 0.00 0.03 0.00 0.00 46.19 42.44 1x36 s LEU 98 CO 0.00 -0.59 1.53 0.52 0.23 0.00 0.00 176.35 178.03 1x36 n VAL 99 N 0.21 4.86 -4.05 -1.59 0.31 0.24 -4.47 118.33 113.84 1x36 n VAL 99 Ca 0.04 -5.34 -0.09 0.00 -0.01 0.00 0.00 64.34 58.93 1x36 n VAL 99 Cb 0.46 -2.27 -0.11 0.00 -0.91 0.00 0.00 33.84 31.02 1x36 n VAL 99 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1x36 s MET 100 N -1.33 0.49 0.27 5.55 0.23 -1.26 -4.52 119.30 118.74 1x36 s MET 100 Ca 0.34 -0.89 -0.07 0.00 -1.03 0.00 0.00 55.69 54.05 1x36 s MET 100 Cb 0.03 0.03 0.49 0.00 -1.53 0.00 0.00 34.83 33.85 1x36 s MET 100 CO 0.04 -0.05 1.58 -1.35 -2.03 0.00 0.00 175.02 173.21 1x36 h PRO 101 N 4.01 0.01 -0.88 3.16 0.11 -1.92 -0.88 132.00 135.60 1x36 h PRO 101 Ca -0.34 -0.00 0.04 0.00 0.11 0.00 0.00 66.00 65.82 1x36 h PRO 101 Cb 1.18 -0.00 -0.05 0.00 0.11 0.00 0.00 31.00 32.24 1x36 h PRO 101 CO 0.51 0.01 0.58 -0.92 -0.21 0.00 0.00 178.00 177.96 1x36 h TYR 102 N 0.01 1.05 0.00 0.65 3.20 -1.87 -3.17 116.97 116.84 1x36 h TYR 102 Ca 0.47 0.03 0.00 0.00 3.14 0.00 0.00 58.73 62.37 1x36 h TYR 102 Cb 0.79 -0.35 0.00 0.00 1.54 0.00 0.00 36.73 38.71 1x36 h TYR 102 CO -0.66 0.59 -1.21 0.25 -1.64 0.00 0.00 178.16 175.50 1x36 n THR 103 N -4.46 0.08 0.01 1.81 -2.24 -0.41 -4.40 114.28 104.69 1x36 n THR 103 Ca 0.12 -0.22 -0.02 0.00 -2.27 0.00 0.00 64.05 61.66 1x36 n THR 103 Cb 0.13 0.40 0.23 0.00 -2.10 0.00 0.00 70.33 68.99 1x36 n THR 103 CO 0.00 0.00 0.00 -0.37 -0.57 0.00 0.00 175.07 174.13 1x36 h VAL 104 N 0.00 1.25 -1.29 2.28 -1.51 -1.37 -3.47 116.25 112.13 1x36 h VAL 104 Ca 0.00 -1.13 0.31 0.00 -1.23 0.00 0.00 66.70 64.65 1x36 h VAL 104 Cb 0.71 1.24 -0.17 0.00 -2.13 0.00 0.00 31.29 30.94 1x36 h VAL 104 CO 0.00 0.36 0.89 -0.83 -1.23 0.00 0.00 177.57 176.76 1x36 s GLY 105 N -3.97 -0.32 0.31 5.19 0.00 -1.26 -4.29 107.32 102.98 1x36 s GLY 105 Ca -0.07 1.42 0.03 0.00 0.00 0.00 0.00 44.72 46.10 1x36 s GLY 105 CO 0.78 0.43 1.80 -0.91 0.00 0.00 0.00 173.10 175.20 1x36 h THR 106 N 2.00 1.23 0.65 0.90 1.35 -1.87 -1.80 112.91 115.37 1x36 h THR 106 Ca -0.15 -1.01 -0.03 0.00 -0.55 0.00 0.00 66.41 64.67 1x36 h THR 106 Cb 1.17 1.13 0.01 0.00 -1.73 0.00 0.00 68.15 68.73 1x36 h THR 106 CO 0.24 0.33 -0.31 -0.25 -0.25 0.00 0.00 175.52 175.28 1x36 h TRP 107 N 0.47 -0.81 -0.57 4.73 7.01 -1.95 -2.72 115.95 122.10 1x36 h TRP 107 Ca 0.09 -0.02 0.03 0.00 2.11 0.00 0.00 58.89 61.10 1x36 h TRP 107 Cb 0.49 0.27 -0.03 0.00 -2.10 0.00 0.00 29.16 27.79 1x36 h TRP 107 CO 0.02 -0.50 0.38 1.25 -2.79 0.00 0.00 178.44 176.79 1x36 h LEU 108 N -1.16 0.57 -0.52 0.65 5.85 -1.85 -1.26 115.31 117.58 1x36 h LEU 108 Ca -0.09 -0.01 0.08 0.00 0.84 0.00 0.00 57.88 58.70 1x36 h LEU 108 Cb 0.67 -0.13 -0.06 0.00 0.37 0.00 0.00 40.66 41.50 1x36 h LEU 108 CO 0.15 0.39 0.17 -0.09 -0.34 0.00 0.00 178.44 178.72 1x36 h ARG 109 N 0.66 0.33 -0.26 1.25 2.43 -1.30 0.92 114.38 118.42 1x36 h ARG 109 Ca 0.23 -0.02 -0.14 0.00 -0.81 0.00 0.00 59.98 59.24 1x36 h ARG 109 Cb 0.09 -0.07 -0.00 0.00 -0.42 0.00 0.00 29.97 29.57 1x36 h ARG 109 CO -0.06 0.22 -0.40 0.78 -1.51 0.00 0.00 179.97 179.00 1x36 h GLY 110 N 0.34 0.79 0.79 2.80 0.00 -0.98 -3.16 103.07 103.65 1x36 h GLY 110 Ca 0.26 -0.89 -0.04 0.00 0.00 0.00 0.00 47.33 46.66 1x36 h GLY 110 CO -0.28 0.80 -0.37 -2.08 0.00 0.00 0.00 176.54 174.61 1x36 h VAL 111 N 0.46 0.04 0.00 4.60 2.07 -0.73 -3.24 116.25 119.45 1x36 h VAL 111 Ca 0.02 -0.23 0.00 0.00 0.82 0.00 0.00 66.70 67.31 1x36 h VAL 111 Cb 0.99 0.05 0.00 0.00 -1.52 0.00 0.00 31.29 30.81 1x36 h VAL 111 CO 0.09 0.00 0.02 0.00 0.02 0.00 0.00 177.57 177.71 1x36 h ALA 112 N -1.22 1.02 0.00 1.67 0.00 -0.98 -2.29 119.26 117.47 1x36 h ALA 112 Ca -0.10 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.81 1x36 h ALA 112 Cb 0.79 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.58 1x36 h ALA 112 CO 0.17 -0.02 0.00 0.00 0.00 0.00 0.00 179.25 179.40 1x36 h ALA 113 N 1.95 1.00 -0.08 0.00 0.00 -1.57 -1.42 119.26 119.15 1x36 h ALA 113 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1x36 h ALA 113 Cb 0.05 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.84 1x36 h ALA 113 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 179.25 179.34 1x36 n ASN 114 N -2.51 0.69 -4.11 0.00 3.02 -0.86 -4.25 115.26 107.24 1x36 n ASN 114 Ca -0.00 -1.59 -0.19 0.00 -0.03 0.00 0.00 54.58 52.76 1x36 n ASN 114 Cb 0.13 -0.05 -0.14 0.00 -0.61 0.00 0.00 39.78 39.12 1x36 n ASN 114 CO 0.00 0.00 0.00 0.26 -2.62 0.00 0.00 177.26 174.90 1x36 s TRP 115 N -1.90 1.08 0.07 3.10 0.51 -0.53 -1.21 118.94 120.06 1x36 s TRP 115 Ca 0.27 -0.31 -0.17 0.00 -2.12 0.00 0.00 56.10 53.76 1x36 s TRP 115 Cb 0.13 -0.66 -0.11 0.00 -0.81 0.00 0.00 33.47 32.02 1x36 s TRP 115 CO 0.21 0.01 1.38 0.77 -0.51 0.00 0.00 176.95 178.81 1x36 h SER 116 N 5.17 0.57 -4.01 2.95 0.02 -0.22 -3.43 113.55 114.60 1x36 h SER 116 Ca -0.36 -0.48 -0.46 0.00 -0.84 0.00 0.00 61.79 59.65 1x36 h SER 116 Cb 1.18 -0.16 -0.14 0.00 0.14 0.00 0.00 62.40 63.42 1x36 h SER 116 CO 0.45 0.93 -0.56 -0.54 -1.14 0.00 0.00 176.83 175.98 1x36 s LYS 117 N -4.32 1.69 0.26 3.45 1.02 -1.07 -0.94 119.74 119.83 1x36 s LYS 117 Ca -0.13 -1.98 -0.20 0.00 0.02 0.00 0.00 55.97 53.68 1x36 s LYS 117 Cb 0.07 -0.39 0.02 0.00 -0.52 0.00 0.00 37.83 37.01 1x36 s LYS 117 CO 0.79 -0.40 0.67 1.52 -0.92 0.00 0.00 175.35 177.01 1x36 s TYR 118 N -3.45 -0.14 -0.04 3.18 -0.85 -0.04 -1.86 117.35 114.15 1x36 s TYR 118 Ca 0.32 -0.28 -0.03 0.00 -0.52 0.00 0.00 57.07 56.56 1x36 s TYR 118 Cb 0.05 0.61 0.01 0.00 0.38 0.00 0.00 41.96 43.02 1x36 s TYR 118 CO 0.16 -1.16 0.10 0.45 -1.52 0.00 0.00 175.55 173.58 1x36 s SER 119 N -2.92 -0.10 -0.30 -0.18 0.15 0.10 -0.75 113.70 109.71 1x36 s SER 119 Ca 0.12 0.20 -0.22 0.00 0.70 0.00 0.00 55.95 56.75 1x36 s SER 119 Cb -0.05 0.20 -0.01 0.00 -1.71 0.00 0.00 66.02 64.46 1x36 s SER 119 CO 0.05 -0.04 0.70 0.26 1.20 0.00 0.00 173.24 175.41 1x36 s TRP 120 N 0.10 3.21 -0.06 3.44 0.23 -1.26 -1.01 118.94 123.59 1x36 s TRP 120 Ca -0.00 0.70 0.13 0.00 -2.03 0.00 0.00 56.10 54.90 1x36 s TRP 120 Cb -0.01 -3.08 -0.21 0.00 0.03 0.00 0.00 33.47 30.20 1x36 s TRP 120 CO -0.00 -0.51 0.70 1.28 0.96 0.00 0.00 176.95 179.38 1x36 n LEU 121 N 6.01 0.88 -3.64 2.99 4.77 0.11 -4.85 117.00 123.28 1x36 n LEU 121 Ca 0.01 0.41 -0.08 0.00 -0.03 0.00 0.00 56.01 56.33 1x36 n LEU 121 Cb 0.48 0.15 -0.07 0.00 -2.33 0.00 0.00 43.42 41.65 1x36 n LEU 121 CO 0.48 0.34 0.54 -0.55 -1.33 0.00 0.00 177.39 176.86 1x36 s SER 122 N -6.03 -0.68 -0.08 -1.43 0.15 -0.94 -4.89 113.70 99.81 1x36 s SER 122 Ca -0.04 1.17 -0.03 0.00 0.70 0.00 0.00 55.95 57.75 1x36 s SER 122 Cb 0.08 1.24 0.05 0.00 -1.71 0.00 0.00 66.02 65.68 1x36 s SER 122 CO 0.82 -0.19 0.15 -0.69 1.20 0.00 0.00 173.24 174.53 1x36 s VAL 123 N 0.99 -0.24 0.00 4.45 1.01 -1.26 -0.70 120.40 124.65 1x36 s VAL 123 Ca -0.05 0.35 0.02 0.00 0.00 0.00 0.00 61.98 62.30 1x36 s VAL 123 Cb -0.05 -0.29 -0.01 0.00 0.00 0.00 0.00 36.38 36.04 1x36 s VAL 123 CO -0.11 0.14 -0.07 0.00 0.00 0.00 0.00 175.10 175.06 1x36 s ARG 124 N 2.28 0.52 -0.20 2.72 1.70 0.33 -0.41 118.95 125.89 1x36 s ARG 124 Ca 0.03 -0.32 -0.04 0.00 -0.47 0.00 0.00 55.73 54.94 1x36 s ARG 124 Cb -0.12 -0.48 -0.02 0.00 -0.57 0.00 0.00 34.95 33.76 1x36 s ARG 124 CO -0.06 0.13 -0.02 0.71 -1.08 0.00 0.00 175.30 174.98 1x36 s TYR 125 N -0.34 3.00 -0.09 5.89 1.51 0.15 -0.74 117.35 126.74 1x36 s TYR 125 Ca 0.01 -0.58 0.05 0.00 -1.01 0.00 0.00 57.07 55.53 1x36 s TYR 125 Cb -0.04 -2.07 -0.00 0.00 -0.11 0.00 0.00 41.96 39.74 1x36 s TYR 125 CO -0.00 -0.31 -0.24 0.99 -1.11 0.00 0.00 175.55 174.88 1x36 s THR 126 N 1.05 2.08 -0.19 -0.71 2.01 0.11 -1.07 115.64 118.92 1x36 s THR 126 Ca 0.01 -1.03 -0.15 0.00 0.31 0.00 0.00 61.69 60.84 1x36 s THR 126 Cb -0.14 -1.78 -0.04 0.00 0.01 0.00 0.00 72.50 70.54 1x36 s THR 126 CO 0.01 0.56 0.36 -0.47 -0.69 0.00 0.00 174.62 174.40 1x36 s TYR 127 N 0.18 3.40 -0.16 4.92 5.04 -0.38 -0.27 117.35 130.07 1x36 s TYR 127 Ca -0.14 0.60 0.01 0.00 -2.44 0.00 0.00 57.07 55.10 1x36 s TYR 127 Cb -0.17 -2.47 0.01 0.00 0.35 0.00 0.00 41.96 39.68 1x36 s TYR 127 CO 0.07 0.06 -0.19 0.42 -1.34 0.00 0.00 175.55 174.57 1x36 s ILE 128 N 1.08 2.27 0.60 3.14 -1.09 0.46 -4.58 121.20 123.08 1x36 s ILE 128 Ca 0.18 -0.89 -0.15 0.00 -2.23 0.00 0.00 60.65 57.56 1x36 s ILE 128 Cb -0.14 -1.95 -0.03 0.00 -1.58 0.00 0.00 42.46 38.76 1x36 s ILE 128 CO 0.07 0.53 1.05 -2.16 -1.23 0.00 0.00 174.94 173.20 1x36 s PRO 129 N 1.04 3.32 0.00 2.79 0.04 -1.26 -1.07 135.00 139.87 1x36 s PRO 129 Ca -0.01 1.15 0.00 0.00 0.04 0.00 0.00 61.00 62.18 1x36 s PRO 129 Cb -0.14 -2.04 0.00 0.00 0.04 0.00 0.00 34.50 32.36 1x36 s PRO 129 CO -0.06 -0.80 0.53 -1.13 0.04 0.00 0.00 177.00 175.58 1x36 n SER 130 N -2.13 0.17 -4.79 6.66 3.41 0.27 -4.89 113.62 112.33 1x36 n SER 130 Ca 0.08 -1.08 -0.23 0.00 -0.26 0.00 0.00 58.87 57.38 1x36 n SER 130 Cb 0.53 0.00 -0.05 0.00 -0.26 0.00 0.00 64.21 64.43 1x36 n SER 130 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1x36 s PRO 132 N -3.97 2.36 0.10 0.00 0.02 -1.26 -4.89 135.00 127.36 1x36 s PRO 132 Ca 0.42 1.53 0.14 0.00 0.02 0.00 0.00 61.00 63.11 1x36 s PRO 132 Cb -0.01 -1.88 0.62 0.00 0.02 0.00 0.00 34.50 33.24 1x36 s PRO 132 CO 0.25 -1.62 1.42 -1.13 -0.33 0.00 0.00 177.00 175.59 1x36 n SER 133 N -2.76 0.23 -0.49 2.53 3.41 -1.26 -1.57 113.62 113.70 1x36 n SER 133 Ca 0.12 0.58 0.14 0.00 -0.26 0.00 0.00 58.87 59.44 1x36 n SER 133 Cb 0.51 -0.62 0.46 0.00 -0.26 0.00 0.00 64.21 64.31 1x36 n SER 133 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1x36 n SER 134 N -1.77 1.57 -4.68 4.04 3.41 -1.26 -4.91 113.62 110.01 1x36 n SER 134 Ca 0.02 -1.46 -0.42 0.00 -0.26 0.00 0.00 58.87 56.75 1x36 n SER 134 Cb 0.12 0.03 -0.03 0.00 -0.26 0.00 0.00 64.21 64.07 1x36 n SER 134 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 1x36 s THR 135 N -2.08 3.72 0.44 6.66 2.01 -0.61 -5.00 115.64 120.78 1x36 s THR 135 Ca 0.35 1.06 -0.21 0.00 0.31 0.00 0.00 61.69 63.20 1x36 s THR 135 Cb 0.21 -3.68 -0.10 0.00 0.01 0.00 0.00 72.50 68.93 1x36 s THR 135 CO 0.36 -0.02 0.96 0.00 -0.69 0.00 0.00 174.62 175.23 1x36 s ALA 136 N 2.76 3.02 0.00 7.40 0.00 -1.26 -4.63 121.76 129.05 1x36 s ALA 136 Ca 0.65 0.40 0.00 0.00 0.00 0.00 0.00 51.96 53.01 1x36 s ALA 136 Cb -0.31 -3.16 0.00 0.00 0.00 0.00 0.00 23.12 19.65 1x36 s ALA 136 CO 0.26 0.05 0.00 0.41 0.00 0.00 0.00 175.76 176.48 1x36 n GLY 137 N -0.67 3.67 3.06 0.00 0.00 -0.59 -4.37 105.19 106.28 1x36 n GLY 137 Ca 0.07 -1.77 -0.09 0.00 0.00 0.00 0.00 46.02 44.22 1x36 n GLY 137 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1x36 s SER 138 N 0.00 0.20 0.12 1.61 1.04 -0.10 -0.87 113.70 115.70 1x36 s SER 138 Ca 0.00 -0.50 0.10 0.00 0.48 0.00 0.00 55.95 56.03 1x36 s SER 138 Cb 0.00 0.17 -0.04 0.00 0.10 0.00 0.00 66.02 66.25 1x36 s SER 138 CO 0.00 -0.41 -0.22 -0.51 0.98 0.00 0.00 173.24 173.08 1x36 s ILE 139 N -2.04 2.56 -0.01 -1.02 2.07 0.02 -2.73 121.20 120.06 1x36 s ILE 139 Ca -0.10 -1.61 0.00 0.00 -1.41 0.00 0.00 60.65 57.54 1x36 s ILE 139 Cb -0.05 -2.15 0.01 0.00 0.13 0.00 0.00 42.46 40.40 1x36 s ILE 139 CO -0.02 0.11 -0.01 -1.00 -1.91 0.00 0.00 174.94 172.11 1x36 s HIS 140 N -1.09 0.15 0.03 3.50 3.76 -0.26 -2.08 115.29 119.30 1x36 s HIS 140 Ca 0.16 -0.00 -0.00 0.00 -0.15 0.00 0.00 55.06 55.06 1x36 s HIS 140 Cb -0.10 -0.15 -0.03 0.00 1.11 0.00 0.00 32.58 33.41 1x36 s HIS 140 CO 0.08 -0.03 -0.03 -1.64 -0.85 0.00 0.00 174.74 172.26 1x36 s MET 141 N 0.24 0.43 0.05 1.40 -1.94 -0.77 -0.85 119.30 117.86 1x36 s MET 141 Ca -0.02 -0.82 -0.28 0.00 -1.71 0.00 0.00 55.69 52.86 1x36 s MET 141 Cb -0.04 0.11 0.10 0.00 2.01 0.00 0.00 34.83 37.01 1x36 s MET 141 CO -0.01 -0.06 1.12 0.20 -0.01 0.00 0.00 175.02 176.27 1x36 s GLY 142 N -1.95 -0.33 0.14 -0.03 0.00 -0.67 -1.30 107.32 103.18 1x36 s GLY 142 Ca -0.08 0.50 0.08 0.00 0.00 0.00 0.00 44.72 45.21 1x36 s GLY 142 CO -0.04 0.10 -0.09 -1.36 0.00 0.00 0.00 173.10 171.71 1x36 s PHE 143 N -2.83 2.72 0.08 1.90 0.40 -0.80 0.16 117.98 119.60 1x36 s PHE 143 Ca 0.13 -0.18 0.05 0.00 -0.60 0.00 0.00 56.93 56.33 1x36 s PHE 143 Cb 0.02 -1.38 -0.03 0.00 0.51 0.00 0.00 43.02 42.14 1x36 s PHE 143 CO -0.01 0.47 -0.14 -0.65 0.70 0.00 0.00 175.22 175.58 1x36 s GLN 144 N -2.51 0.86 0.00 0.44 -0.21 -0.80 -4.10 119.66 113.33 1x36 s GLN 144 Ca 0.23 -1.01 0.00 0.00 0.02 0.00 0.00 55.36 54.61 1x36 s GLN 144 Cb -0.10 -0.85 0.00 0.00 1.00 0.00 0.00 33.01 33.06 1x36 s GLN 144 CO 0.15 0.18 0.00 0.66 -2.12 0.00 0.00 175.29 174.16 1x36 n TYR 145 N 1.15 0.00 -3.82 0.91 4.02 -1.26 -1.39 117.16 116.76 1x36 n TYR 145 Ca -0.20 0.00 -0.36 0.00 -0.01 0.00 0.00 57.90 57.33 1x36 n TYR 145 Cb 0.55 0.00 -0.12 0.00 -0.02 0.00 0.00 39.34 39.74 1x36 n TYR 145 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 176.86 176.19 1x36 s ASP 146 N -1.07 5.15 0.46 7.72 2.15 -1.26 -4.73 116.67 125.09 1x36 s ASP 146 Ca 0.00 -1.86 0.26 0.00 0.43 0.00 0.00 52.55 51.38 1x36 s ASP 146 Cb 0.00 -1.79 1.42 0.00 -0.30 0.00 0.00 42.92 42.25 1x36 s ASP 146 CO 0.00 -0.47 1.78 0.24 -0.17 0.00 0.00 175.17 176.55 1x36 h MET 147 N 8.01 0.00 0.00 4.34 2.86 -1.90 0.30 114.93 128.53 1x36 h MET 147 Ca -0.14 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.50 1x36 h MET 147 Cb 1.05 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.71 1x36 h MET 147 CO 0.65 0.00 0.00 0.00 1.06 0.00 0.00 176.91 178.62 1x36 h ALA 148 N 1.68 1.00 -2.67 6.32 0.00 -1.93 -3.45 119.26 120.21 1x36 h ALA 148 Ca 0.00 0.00 -0.52 0.00 0.00 0.00 0.00 54.91 54.39 1x36 h ALA 148 Cb 0.27 0.00 0.11 0.00 0.00 0.00 0.00 17.79 18.18 1x36 h ALA 148 CO 0.00 0.00 0.42 -0.51 0.00 0.00 0.00 179.25 179.16 1x36 s ASP 149 N -5.58 5.06 0.22 0.00 -0.00 0.10 -4.98 116.67 111.50 1x36 s ASP 149 Ca 0.06 2.25 -0.30 0.00 -0.00 0.00 0.00 52.55 54.56 1x36 s ASP 149 Cb 0.08 -2.58 -0.08 0.00 -0.00 0.00 0.00 42.92 40.33 1x36 s ASP 149 CO 0.60 -1.67 1.04 -0.89 -0.00 0.00 0.00 175.17 174.25 1x36 s THR 150 N -1.89 3.85 0.24 -1.27 2.01 -1.26 -5.01 115.64 112.31 1x36 s THR 150 Ca 0.73 1.74 -0.30 0.00 0.31 0.00 0.00 61.69 64.18 1x36 s THR 150 Cb -0.27 -4.11 -0.09 0.00 0.01 0.00 0.00 72.50 68.04 1x36 s THR 150 CO 0.36 0.37 1.25 -0.69 -0.69 0.00 0.00 174.62 175.22 1x36 s VAL 151 N -0.79 3.23 0.66 3.82 1.01 -1.26 -4.97 120.40 122.11 1x36 s VAL 151 Ca 0.45 1.10 -0.17 0.00 0.00 0.00 0.00 61.98 63.36 1x36 s VAL 151 Cb -0.29 -3.70 -0.03 0.00 0.00 0.00 0.00 36.38 32.36 1x36 s VAL 151 CO 0.36 0.21 0.82 -2.65 0.00 0.00 0.00 175.10 173.83 1x36 n PRO 152 N 1.94 0.59 0.00 2.72 -0.02 -1.26 -4.93 135.00 134.03 1x36 n PRO 152 Ca 0.03 0.25 0.00 0.00 -2.02 0.00 0.00 63.50 61.76 1x36 n PRO 152 Cb 0.43 -2.06 0.00 0.00 -0.02 0.00 0.00 33.50 31.86 1x36 n PRO 152 CO 0.00 0.00 0.00 1.33 1.98 0.00 0.00 175.50 178.81 1x36 n VAL 153 N -2.13 0.00 -3.99 -1.45 0.24 -1.26 -4.92 118.33 104.82 1x36 n VAL 153 Ca 0.13 -0.50 -0.08 0.00 -2.04 0.00 0.00 64.34 61.85 1x36 n VAL 153 Cb 0.49 1.00 -0.09 0.00 -1.47 0.00 0.00 33.84 33.77 1x36 n VAL 153 CO 0.00 0.00 0.00 -0.94 -2.14 0.00 0.00 176.83 173.75 1x36 s SER 154 N -0.41 0.31 0.28 -1.34 1.04 -1.26 -4.99 113.70 107.33 1x36 s SER 154 Ca 0.00 -0.77 -0.03 0.00 0.48 0.00 0.00 55.95 55.63 1x36 s SER 154 Cb 0.00 0.23 0.39 0.00 0.10 0.00 0.00 66.02 66.74 1x36 s SER 154 CO 0.01 -0.59 1.94 0.58 0.98 0.00 0.00 173.24 176.16 1x36 h VAL 155 N 3.29 1.19 -0.27 5.02 2.07 -1.98 -1.23 116.25 124.33 1x36 h VAL 155 Ca -0.33 -0.41 0.06 0.00 0.82 0.00 0.00 66.70 66.83 1x36 h VAL 155 Cb 1.17 -0.12 -0.05 0.00 -1.52 0.00 0.00 31.29 30.77 1x36 h VAL 155 CO 0.58 0.22 -0.07 -1.13 0.02 0.00 0.00 177.57 177.19 1x36 h ASN 156 N 1.21 -0.27 -0.36 0.57 -0.00 -2.00 0.47 115.58 115.20 1x36 h ASN 156 Ca 0.36 0.08 -0.05 0.00 -0.00 0.00 0.00 56.30 56.69 1x36 h ASN 156 Cb -0.05 0.18 -0.01 0.00 -0.00 0.00 0.00 38.32 38.43 1x36 h ASN 156 CO -0.10 -0.10 0.03 1.56 -0.00 0.00 0.00 177.43 178.82 1x36 h GLN 157 N -0.01 0.61 -0.64 6.67 4.20 -1.83 -2.97 115.11 121.13 1x36 h GLN 157 Ca 0.13 -0.18 0.03 0.00 0.06 0.00 0.00 58.65 58.69 1x36 h GLN 157 Cb 0.21 -0.06 -0.04 0.00 0.30 0.00 0.00 27.48 27.89 1x36 h GLN 157 CO -0.29 0.71 0.43 1.25 -0.67 0.00 0.00 178.83 180.25 1x36 h LEU 158 N 0.43 0.67 -1.97 1.46 6.46 -0.77 -1.52 115.31 120.07 1x36 h LEU 158 Ca 0.10 -0.01 0.00 0.00 -0.12 0.00 0.00 57.88 57.85 1x36 h LEU 158 Cb 0.41 -0.16 0.00 0.00 -0.73 0.00 0.00 40.66 40.19 1x36 h LEU 158 CO 0.01 0.47 0.00 0.77 -0.62 0.00 0.00 178.44 179.07 1x36 h SER 159 N 0.78 0.00 1.82 1.25 4.64 -0.75 -1.91 113.55 119.38 1x36 h SER 159 Ca 0.25 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.54 1x36 h SER 159 Cb 0.05 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.13 1x36 h SER 159 CO -0.07 0.00 -0.16 0.78 -0.87 0.00 0.00 176.83 176.51 1x36 h ASN 160 N 0.00 0.00 -4.22 4.97 -0.26 -1.34 -3.46 115.58 111.26 1x36 h ASN 160 Ca 0.00 0.00 -0.52 0.00 -0.56 0.00 0.00 56.30 55.22 1x36 h ASN 160 Cb 0.11 0.00 0.14 0.00 -1.06 0.00 0.00 38.32 37.50 1x36 h ASN 160 CO 0.00 0.16 0.35 -0.76 -1.06 0.00 0.00 177.43 176.12 1x36 s LEU 161 N -6.30 3.22 0.27 1.61 1.43 -0.72 -4.99 118.68 113.21 1x36 s LEU 161 Ca 0.06 2.10 -0.29 0.00 -1.03 0.00 0.00 54.13 54.97 1x36 s LEU 161 Cb 0.06 -4.56 -0.10 0.00 0.03 0.00 0.00 46.19 41.62 1x36 s LEU 161 CO 0.69 -2.12 1.29 -0.60 0.23 0.00 0.00 176.35 175.84 1x36 s ARG 162 N -4.27 4.40 -0.87 1.70 3.00 -1.26 -2.92 118.95 118.73 1x36 s ARG 162 Ca 0.68 2.10 0.00 0.00 -1.00 0.00 0.00 55.73 57.51 1x36 s ARG 162 Cb -0.23 -3.14 0.00 0.00 0.00 0.00 0.00 34.95 31.58 1x36 s ARG 162 CO 0.48 -0.17 0.00 0.41 0.00 0.00 0.00 175.30 176.02 1x36 n GLY 163 N 1.55 0.75 3.72 8.12 0.00 -1.26 -1.91 105.19 116.16 1x36 n GLY 163 Ca 0.03 -0.61 -0.42 0.00 0.00 0.00 0.00 46.02 45.02 1x36 n GLY 163 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1x36 s TYR 164 N -2.35 3.16 0.08 1.61 5.04 -1.15 -4.37 117.35 119.36 1x36 s TYR 164 Ca 0.00 0.83 0.03 0.00 -2.44 0.00 0.00 57.07 55.50 1x36 s TYR 164 Cb 0.00 -3.79 -0.03 0.00 0.35 0.00 0.00 41.96 38.49 1x36 s TYR 164 CO 0.00 -2.80 -0.10 0.14 -1.34 0.00 0.00 175.55 171.45 1x36 s VAL 165 N 1.02 0.85 -0.07 3.14 -7.23 -0.42 -4.98 120.40 112.70 1x36 s VAL 165 Ca 0.66 -1.45 -0.12 0.00 -1.81 0.00 0.00 61.98 59.26 1x36 s VAL 165 Cb -0.40 -1.13 0.03 0.00 0.56 0.00 0.00 36.38 35.44 1x36 s VAL 165 CO 0.32 -0.47 0.31 -0.55 -0.31 0.00 0.00 175.10 174.39 1x36 s SER 166 N -2.12 -0.26 -0.15 4.85 0.15 -1.26 -1.84 113.70 113.07 1x36 s SER 166 Ca 0.00 0.39 -0.34 0.00 0.70 0.00 0.00 55.95 56.70 1x36 s SER 166 Cb -0.06 0.50 0.14 0.00 -1.71 0.00 0.00 66.02 64.89 1x36 s SER 166 CO 0.00 -0.25 1.27 -0.83 1.20 0.00 0.00 173.24 174.63 1x36 s GLY 167 N -0.48 -0.33 0.46 9.45 0.00 -0.88 -4.98 107.32 110.55 1x36 s GLY 167 Ca -0.06 1.33 -0.25 0.00 0.00 0.00 0.00 44.72 45.75 1x36 s GLY 167 CO 0.02 0.40 1.33 -1.06 0.00 0.00 0.00 173.10 173.79 1x36 n GLN 168 N -0.22 1.97 0.17 2.90 6.02 -1.26 -0.80 117.38 126.16 1x36 n GLN 168 Ca -0.02 0.71 0.12 0.00 -0.01 0.00 0.00 57.00 57.80 1x36 n GLN 168 Cb 0.60 -2.49 0.60 0.00 1.02 0.00 0.00 30.24 29.97 1x36 n GLN 168 CO 0.00 0.00 0.00 -0.24 -1.01 0.00 0.00 177.06 175.81 1x36 h VAL 169 N 2.01 0.00 -0.33 5.09 3.04 -1.30 -1.24 116.25 123.52 1x36 h VAL 169 Ca -0.49 -0.11 0.00 0.00 -1.01 0.00 0.00 66.70 65.09 1x36 h VAL 169 Cb 1.29 0.73 0.00 0.00 -2.01 0.00 0.00 31.29 31.30 1x36 h VAL 169 CO 0.60 0.00 0.00 -2.67 -1.01 0.00 0.00 177.57 174.49 1x36 n TRP 170 N -2.35 0.42 -3.46 3.17 4.27 -1.26 -4.64 117.44 113.60 1x36 n TRP 170 Ca -0.00 -0.28 -0.22 0.00 -3.89 0.00 0.00 57.50 53.11 1x36 n TRP 170 Cb 0.12 -0.01 0.00 0.00 -1.36 0.00 0.00 31.31 30.07 1x36 n TRP 170 CO 0.00 0.00 0.00 0.45 -2.29 0.00 0.00 177.69 175.85 1x36 s SER 171 N -1.24 5.01 0.00 -0.67 0.15 -0.47 -4.80 113.70 111.68 1x36 s SER 171 Ca 0.31 -0.88 0.00 0.00 0.70 0.00 0.00 55.95 56.08 1x36 s SER 171 Cb 0.18 -0.07 0.00 0.00 -1.71 0.00 0.00 66.02 64.42 1x36 s SER 171 CO 0.25 -0.97 0.00 0.61 1.20 0.00 0.00 173.24 174.32 1x36 n GLY 172 N -1.82 0.72 0.38 9.45 0.00 -1.26 -4.08 105.19 108.57 1x36 n GLY 172 Ca 0.06 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.21 1x36 n GLY 172 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1x36 h SER 173 N 0.00 0.60 -0.06 1.61 0.02 -1.87 -0.80 113.55 113.05 1x36 h SER 173 Ca 0.00 0.04 0.02 0.00 -0.84 0.00 0.00 61.79 61.01 1x36 h SER 173 Cb 0.00 -0.07 -0.00 0.00 0.14 0.00 0.00 62.40 62.46 1x36 h SER 173 CO 0.00 0.29 0.11 0.00 -1.14 0.00 0.00 176.83 176.08 1x36 h ALA 174 N 1.61 1.43 0.00 3.77 0.00 -1.88 -1.42 119.26 122.78 1x36 h ALA 174 Ca 0.46 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.36 1x36 h ALA 174 Cb 0.82 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.62 1x36 h ALA 174 CO -0.21 -0.14 0.00 0.41 0.00 0.00 0.00 179.25 179.31 1x36 n GLY 175 N -1.26 -0.94 0.35 0.00 0.00 -0.31 -3.53 105.19 99.50 1x36 n GLY 175 Ca -0.01 -0.08 0.07 0.00 0.00 0.00 0.00 46.02 46.00 1x36 n GLY 175 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1x36 h LEU 176 N 0.00 0.62 -2.03 0.99 5.85 -1.43 -2.29 115.31 117.02 1x36 h LEU 176 Ca 0.00 0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.70 1x36 h LEU 176 Cb 0.21 -0.13 -0.00 0.00 0.37 0.00 0.00 40.66 41.10 1x36 h LEU 176 CO 0.00 0.40 -0.09 0.00 -0.34 0.00 0.00 178.44 178.41 1x36 h PHE 178 N 0.00 0.89 -0.07 0.00 -1.00 -1.68 0.62 116.94 115.71 1x36 h PHE 178 Ca -0.00 -0.26 -0.02 0.00 2.81 0.00 0.00 57.97 60.50 1x36 h PHE 178 Cb 0.24 -0.19 -0.00 0.00 3.61 0.00 0.00 35.95 39.60 1x36 h PHE 178 CO 0.00 1.01 -0.05 0.82 -1.61 0.00 0.00 178.31 178.48 1x36 h ILE 179 N 0.62 1.35 0.00 -0.55 2.04 -1.43 -2.90 117.51 116.65 1x36 h ILE 179 Ca 0.06 -1.14 -0.03 0.00 1.00 0.00 0.00 64.86 64.75 1x36 h ILE 179 Cb 0.92 1.97 -0.00 0.00 -0.74 0.00 0.00 36.82 38.96 1x36 h ILE 179 CO 0.08 0.31 -0.12 -1.13 0.00 0.00 0.00 178.15 177.30 1x36 h ASN 180 N -0.26 0.00 0.00 1.72 -1.24 -1.22 -3.45 115.58 111.14 1x36 h ASN 180 Ca 0.01 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.02 1x36 h ASN 180 Cb 0.53 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.58 1x36 h ASN 180 CO 0.01 0.12 0.00 0.61 -1.29 0.00 0.00 177.43 176.88 1x36 n GLY 181 N -0.50 1.01 3.63 1.57 0.00 0.18 -5.01 105.19 106.08 1x36 n GLY 181 Ca -0.01 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.72 1x36 n GLY 181 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1x36 s THR 182 N -3.61 1.88 0.37 2.61 -4.23 -1.03 -4.98 115.64 106.64 1x36 s THR 182 Ca 0.00 0.00 -0.26 0.00 -1.18 0.00 0.00 61.69 60.25 1x36 s THR 182 Cb 0.00 -2.45 -0.09 0.00 1.34 0.00 0.00 72.50 71.30 1x36 s THR 182 CO 0.00 0.00 1.11 0.00 -0.54 0.00 0.00 174.62 175.19 1x36 s ARG 183 N -5.05 4.22 -0.29 3.99 1.70 -1.26 -4.79 118.95 117.47 1x36 s ARG 183 Ca 0.67 1.72 -0.19 0.00 -0.47 0.00 0.00 55.73 57.46 1x36 s ARG 183 Cb -0.17 -2.74 0.15 0.00 -0.57 0.00 0.00 34.95 31.63 1x36 s ARG 183 CO 0.58 -0.14 1.06 0.00 -1.08 0.00 0.00 175.30 175.72 1x36 n SER 185 N 3.10 2.30 -3.91 0.00 7.64 -1.26 -4.82 113.62 116.67 1x36 n SER 185 Ca -0.16 0.00 -0.41 0.00 1.01 0.00 0.00 58.87 59.31 1x36 n SER 185 Cb 0.57 -0.32 -0.02 0.00 -1.01 0.00 0.00 64.21 63.42 1x36 n SER 185 CO 0.00 0.00 0.00 -0.90 -3.01 0.00 0.00 175.04 171.13 1x36 n ASP 186 N -3.20 3.52 -0.41 6.43 5.75 -1.26 -4.57 116.55 122.81 1x36 n ASP 186 Ca -0.30 -2.79 0.07 0.00 -0.01 0.00 0.00 54.79 51.77 1x36 n ASP 186 Cb 0.78 -1.51 0.15 0.00 -1.03 0.00 0.00 41.12 39.52 1x36 n ASP 186 CO 0.00 0.00 0.00 0.35 -0.11 0.00 0.00 177.20 177.44 1x36 n THR 187 N 5.86 1.70 -0.25 2.12 -2.24 -1.26 -4.71 114.28 115.49 1x36 n THR 187 Ca 0.50 -1.70 0.09 0.00 -2.27 0.00 0.00 64.05 60.67 1x36 n THR 187 Cb 0.41 0.02 0.34 0.00 -2.10 0.00 0.00 70.33 69.00 1x36 n THR 187 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 1x36 h SER 188 N 0.91 0.71 0.25 3.42 0.02 -1.96 -1.36 113.55 115.53 1x36 h SER 188 Ca 0.00 0.02 0.00 0.00 -0.84 0.00 0.00 61.79 60.97 1x36 h SER 188 Cb 1.00 -0.12 0.00 0.00 0.14 0.00 0.00 62.40 63.42 1x36 h SER 188 CO 0.07 0.40 -0.21 0.35 -1.14 0.00 0.00 176.83 176.31 1x36 n THR 189 N -4.53 0.00 -1.68 -2.27 -2.24 -1.26 -4.91 114.28 97.39 1x36 n THR 189 Ca 0.15 -0.12 -0.42 0.00 -2.27 0.00 0.00 64.05 61.39 1x36 n THR 189 Cb 0.36 0.29 -0.03 0.00 -2.10 0.00 0.00 70.33 68.85 1x36 n THR 189 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1x36 s ALA 190 N -2.46 3.68 -1.23 6.98 0.00 -0.52 -4.09 121.76 124.13 1x36 s ALA 190 Ca 0.26 1.41 -0.11 0.00 0.00 0.00 0.00 51.96 53.52 1x36 s ALA 190 Cb 0.20 -3.81 0.18 0.00 0.00 0.00 0.00 23.12 19.69 1x36 s ALA 190 CO 0.50 -1.39 1.58 -0.89 0.00 0.00 0.00 175.76 175.56 1x36 n ILE 191 N 5.11 4.36 -4.07 0.00 5.41 -1.26 -4.91 119.36 124.01 1x36 n ILE 191 Ca 0.19 -4.71 -0.15 0.00 1.00 0.00 0.00 62.75 59.08 1x36 n ILE 191 Cb 0.39 -2.41 -0.14 0.00 -0.71 0.00 0.00 39.64 36.77 1x36 n ILE 191 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 176.55 176.00 1x36 s SER 192 N 1.77 0.43 0.02 4.38 0.15 -1.26 -1.25 113.70 117.93 1x36 s SER 192 Ca 0.40 -0.06 0.04 0.00 0.70 0.00 0.00 55.95 57.03 1x36 s SER 192 Cb 0.02 -0.06 -0.02 0.00 -1.71 0.00 0.00 66.02 64.25 1x36 s SER 192 CO 0.00 0.04 -0.11 0.28 1.20 0.00 0.00 173.24 174.65 1x36 s THR 193 N -0.03 0.89 0.08 6.45 -1.32 -0.23 -4.96 115.64 116.52 1x36 s THR 193 Ca 0.01 -0.74 0.10 0.00 -1.21 0.00 0.00 61.69 59.85 1x36 s THR 193 Cb -0.02 -0.80 -0.03 0.00 -1.51 0.00 0.00 72.50 70.14 1x36 s THR 193 CO -0.00 0.07 -0.25 0.28 -2.21 0.00 0.00 174.62 172.50 1x36 s THR 194 N -0.61 2.30 0.28 5.08 -1.32 -1.26 -0.67 115.64 119.43 1x36 s THR 194 Ca 0.01 -1.50 -0.29 0.00 -1.21 0.00 0.00 61.69 58.71 1x36 s THR 194 Cb -0.06 -1.95 -0.09 0.00 -1.51 0.00 0.00 72.50 68.88 1x36 s THR 194 CO 0.00 0.26 0.99 -0.22 -2.21 0.00 0.00 174.62 173.44 1x36 s LEU 195 N -1.59 4.54 -1.39 9.08 2.96 0.45 -4.87 118.68 127.86 1x36 s LEU 195 Ca 0.13 2.03 -0.11 0.00 -0.22 0.00 0.00 54.13 55.96 1x36 s LEU 195 Cb -0.10 -3.72 0.09 0.00 0.50 0.00 0.00 46.19 42.96 1x36 s LEU 195 CO 0.04 -0.01 2.13 -0.90 -1.32 0.00 0.00 176.35 176.29 1x36 n ASP 196 N 1.15 4.87 -0.04 3.68 5.75 -1.26 -4.67 116.55 126.03 1x36 n ASP 196 Ca -0.01 -2.96 0.24 0.00 -0.01 0.00 0.00 54.79 52.06 1x36 n ASP 196 Cb 0.47 -1.56 0.68 0.00 -1.03 0.00 0.00 41.12 39.68 1x36 n ASP 196 CO 0.00 0.00 0.00 -0.37 -0.11 0.00 0.00 177.20 176.72 1x36 h VAL 197 N 3.76 0.29 0.00 2.12 -1.51 -1.90 -0.31 116.25 118.71 1x36 h VAL 197 Ca 0.52 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.99 1x36 h VAL 197 Cb 0.60 0.47 0.00 0.00 -2.13 0.00 0.00 31.29 30.23 1x36 h VAL 197 CO 1.75 0.00 0.00 0.77 -1.23 0.00 0.00 177.57 178.86 1x36 h SER 198 N 0.00 0.00 -0.53 4.19 4.64 -1.90 -3.23 113.55 116.72 1x36 h SER 198 Ca 0.32 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.64 1x36 h SER 198 Cb 1.67 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.76 1x36 h SER 198 CO -0.00 0.00 0.00 0.29 -0.87 0.00 0.00 176.83 176.25 1x36 n LYS 199 N -3.09 3.61 -1.55 4.77 4.01 -0.13 -5.01 118.16 120.78 1x36 n LYS 199 Ca 0.02 -2.80 -0.30 0.00 -0.51 0.00 0.00 58.31 54.72 1x36 n LYS 199 Cb 0.42 -1.84 0.08 0.00 -0.51 0.00 0.00 35.03 33.18 1x36 n LYS 199 CO 0.00 0.00 0.00 -0.51 -1.11 0.00 0.00 177.40 175.78 1x36 s LEU 200 N -2.01 2.72 0.30 -0.35 1.43 -1.22 -4.92 118.68 114.62 1x36 s LEU 200 Ca 0.46 1.38 0.05 0.00 -1.03 0.00 0.00 54.13 54.99 1x36 s LEU 200 Cb 0.31 -4.05 0.73 0.00 0.03 0.00 0.00 46.19 43.21 1x36 s LEU 200 CO 0.20 -1.86 1.74 1.23 0.23 0.00 0.00 176.35 177.89 1x36 h GLY 201 N -1.01 1.67 -1.34 -3.19 0.00 -1.93 -3.44 103.07 93.83 1x36 h GLY 201 Ca -0.46 -0.27 -0.19 0.00 0.00 0.00 0.00 47.33 46.40 1x36 h GLY 201 CO 0.59 -0.16 0.01 -1.59 0.00 0.00 0.00 176.54 175.38 1x36 s LYS 202 N -5.87 2.12 -0.24 4.80 -2.85 -1.26 -5.10 119.74 111.35 1x36 s LYS 202 Ca -0.11 -1.70 -0.18 0.00 -1.00 0.00 0.00 55.97 52.98 1x36 s LYS 202 Cb 0.25 0.52 -0.16 0.00 -2.06 0.00 0.00 37.83 36.38 1x36 s LYS 202 CO 0.79 -0.93 -0.03 1.17 0.10 0.00 0.00 175.35 176.44 1x36 n LYS 203 N -0.58 0.58 -3.48 1.78 4.81 -1.26 -4.90 118.16 115.11 1x36 n LYS 203 Ca -0.03 0.43 -0.39 0.00 -0.87 0.00 0.00 58.31 57.46 1x36 n LYS 203 Cb 0.61 -1.64 -0.10 0.00 0.02 0.00 0.00 35.03 33.92 1x36 n LYS 203 CO 0.00 0.00 0.00 -1.58 1.17 0.00 0.00 177.40 176.99 1x36 s TRP 204 N -2.43 3.23 0.17 5.64 0.52 -1.26 -4.24 118.94 120.57 1x36 s TRP 204 Ca -0.33 0.27 0.08 0.00 0.02 0.00 0.00 56.10 56.13 1x36 s TRP 204 Cb 0.10 -2.49 -0.04 0.00 -1.15 0.00 0.00 33.47 29.89 1x36 s TRP 204 CO 0.55 -0.20 -0.05 0.71 0.02 0.00 0.00 176.95 177.97 1x36 s TYR 205 N 1.93 2.74 0.34 -1.98 1.51 0.08 -4.90 117.35 117.06 1x36 s TYR 205 Ca 0.11 -0.17 -0.22 0.00 -1.01 0.00 0.00 57.07 55.77 1x36 s TYR 205 Cb -0.16 -1.35 -0.10 0.00 -0.11 0.00 0.00 41.96 40.25 1x36 s TYR 205 CO 0.10 0.51 0.89 -1.25 -1.11 0.00 0.00 175.55 174.69 1x36 s PRO 206 N -2.80 4.37 0.03 -1.71 0.04 -1.26 -0.87 135.00 132.80 1x36 s PRO 206 Ca 0.26 1.13 -0.30 0.00 0.04 0.00 0.00 61.00 62.12 1x36 s PRO 206 Cb -0.09 -2.59 -0.05 0.00 0.04 0.00 0.00 34.50 31.80 1x36 s PRO 206 CO 0.16 0.19 1.20 -0.47 0.04 0.00 0.00 177.00 178.13 1x36 s TYR 207 N -1.80 3.36 0.08 0.56 6.14 -0.12 -4.88 117.35 120.69 1x36 s TYR 207 Ca 0.53 1.27 0.07 0.00 0.64 0.00 0.00 57.07 59.58 1x36 s TYR 207 Cb -0.15 -3.42 -0.03 0.00 0.42 0.00 0.00 41.96 38.78 1x36 s TYR 207 CO 0.19 -1.30 -0.18 0.15 0.64 0.00 0.00 175.55 175.05 1x36 s LYS 208 N 1.38 1.02 0.22 4.97 -0.14 -1.26 -4.64 119.74 121.29 1x36 s LYS 208 Ca 0.58 -1.03 -0.00 0.00 -1.36 0.00 0.00 55.97 54.16 1x36 s LYS 208 Cb -0.28 -1.15 -0.04 0.00 -1.68 0.00 0.00 37.83 34.67 1x36 s LYS 208 CO 0.27 0.27 0.41 0.95 -0.76 0.00 0.00 175.35 176.49 1x36 s THR 209 N -1.13 5.19 0.19 2.17 -4.23 -1.26 -4.46 115.64 112.11 1x36 s THR 209 Ca 0.03 -0.40 -0.13 0.00 -1.18 0.00 0.00 61.69 60.01 1x36 s THR 209 Cb -0.10 -3.75 0.11 0.00 1.34 0.00 0.00 72.50 70.10 1x36 s THR 209 CO 0.03 -0.23 1.71 0.28 -0.54 0.00 0.00 174.62 175.87 1x36 h SER 210 N 1.82 -0.06 0.14 3.99 0.02 -1.99 -1.46 113.55 116.00 1x36 h SER 210 Ca -0.48 0.10 0.02 0.00 -0.84 0.00 0.00 61.79 60.58 1x36 h SER 210 Cb 1.20 0.15 -0.03 0.00 0.14 0.00 0.00 62.40 63.85 1x36 h SER 210 CO 0.67 -0.00 -0.26 0.00 -1.14 0.00 0.00 176.83 176.10 1x36 h ALA 211 N 1.40 -0.45 -0.56 3.77 0.00 -1.99 0.37 119.26 121.81 1x36 h ALA 211 Ca 0.25 -0.04 0.02 0.00 0.00 0.00 0.00 54.91 55.14 1x36 h ALA 211 Cb 0.35 0.41 -0.03 0.00 0.00 0.00 0.00 17.79 18.52 1x36 h ALA 211 CO -0.35 -0.80 0.35 0.22 0.00 0.00 0.00 179.25 178.67 1x36 h ASP 212 N -0.47 0.58 -0.12 0.00 3.58 -1.90 -1.42 116.42 116.67 1x36 h ASP 212 Ca 0.03 -0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.47 1x36 h ASP 212 Cb 0.49 -0.13 -0.01 0.00 1.72 0.00 0.00 39.33 41.40 1x36 h ASP 212 CO -0.14 0.41 0.08 0.22 -2.88 0.00 0.00 179.24 176.94 1x36 h TYR 213 N 0.70 0.15 -0.70 0.28 3.20 -0.93 -1.90 116.97 117.78 1x36 h TYR 213 Ca 0.22 0.00 0.09 0.00 3.14 0.00 0.00 58.73 62.18 1x36 h TYR 213 Cb -0.02 -0.05 -0.07 0.00 1.54 0.00 0.00 36.73 38.13 1x36 h TYR 213 CO -0.05 0.11 0.35 0.00 -1.64 0.00 0.00 178.16 176.93 1x36 h ALA 214 N 1.03 0.96 -0.60 1.82 0.00 0.17 -0.47 119.26 122.16 1x36 h ALA 214 Ca 0.04 0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.98 1x36 h ALA 214 Cb 0.00 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 17.72 1x36 h ALA 214 CO -0.01 -0.05 0.28 1.15 0.00 0.00 0.00 179.25 180.62 1x36 h THR 215 N 0.59 1.22 0.61 0.00 2.02 -1.01 -0.38 112.91 115.95 1x36 h THR 215 Ca 0.34 -0.62 -0.03 0.00 0.77 0.00 0.00 66.41 66.87 1x36 h THR 215 Cb 0.35 0.51 0.01 0.00 -1.74 0.00 0.00 68.15 67.28 1x36 h THR 215 CO -0.26 0.25 -0.29 0.00 0.37 0.00 0.00 175.52 175.59 1x36 h ALA 216 N 1.11 -0.81 0.00 6.16 0.00 -0.44 -1.98 119.26 123.31 1x36 h ALA 216 Ca 0.20 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1x36 h ALA 216 Cb 0.13 0.31 0.00 0.00 0.00 0.00 0.00 17.79 18.24 1x36 h ALA 216 CO -0.02 -0.93 0.00 -0.39 0.00 0.00 0.00 179.25 177.90 1x36 h VAL 217 N -0.86 0.00 -0.56 0.00 -1.51 -1.11 -0.62 116.25 111.58 1x36 h VAL 217 Ca -0.08 -0.19 -0.07 0.00 -1.23 0.00 0.00 66.70 65.13 1x36 h VAL 217 Cb 0.64 1.06 -0.02 0.00 -2.13 0.00 0.00 31.29 30.84 1x36 h VAL 217 CO 0.14 0.00 0.07 1.23 -1.23 0.00 0.00 177.57 177.78 1x36 h GLY 218 N 0.95 0.98 0.48 5.19 0.00 -0.31 -2.90 103.07 107.46 1x36 h GLY 218 Ca 0.00 -0.63 -0.02 0.00 0.00 0.00 0.00 47.33 46.68 1x36 h GLY 218 CO 0.00 0.58 -0.05 -2.08 0.00 0.00 0.00 176.54 174.99 1x36 h VAL 219 N 0.86 1.45 -1.58 4.60 2.07 -0.76 -3.46 116.25 119.42 1x36 h VAL 219 Ca 0.17 -1.41 0.10 0.00 0.82 0.00 0.00 66.70 66.38 1x36 h VAL 219 Cb 0.41 2.34 -0.26 0.00 -1.52 0.00 0.00 31.29 32.26 1x36 h VAL 219 CO 0.01 0.38 0.31 -0.62 0.02 0.00 0.00 177.57 177.67 1x36 s ASP 220 N -5.90 -0.59 0.28 0.57 -1.08 -0.97 -5.06 116.67 103.92 1x36 s ASP 220 Ca -0.16 0.93 0.02 0.00 -0.52 0.00 0.00 52.55 52.81 1x36 s ASP 220 Cb 0.02 1.27 0.61 0.00 -1.46 0.00 0.00 42.92 43.36 1x36 s ASP 220 CO 0.70 -0.15 1.77 0.58 0.52 0.00 0.00 175.17 178.59 1x36 h VAL 221 N 5.04 0.72 0.00 1.11 2.07 -1.80 -1.96 116.25 121.43 1x36 h VAL 221 Ca -0.28 -0.23 0.00 0.00 0.82 0.00 0.00 66.70 67.01 1x36 h VAL 221 Cb 1.19 -0.02 0.00 0.00 -1.52 0.00 0.00 31.29 30.94 1x36 h VAL 221 CO 0.18 0.12 0.18 0.78 0.02 0.00 0.00 177.57 178.86 1x36 h ASN 222 N 0.68 0.00 0.53 0.57 2.35 -1.94 0.15 115.58 117.92 1x36 h ASN 222 Ca 0.51 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.26 1x36 h ASN 222 Cb 0.74 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.11 1x36 h ASN 222 CO -0.37 0.00 0.00 -0.38 -1.65 0.00 0.00 177.43 175.03 1x36 n ILE 223 N -2.79 0.92 0.10 2.81 5.41 -0.74 -2.29 119.36 122.78 1x36 n ILE 223 Ca -0.02 0.36 -0.04 0.00 1.00 0.00 0.00 62.75 64.04 1x36 n ILE 223 Cb 0.23 -1.30 0.10 0.00 -0.71 0.00 0.00 39.64 37.97 1x36 n ILE 223 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1x36 h ALA 224 N 2.21 0.82 -0.57 -1.39 0.00 -0.90 -3.34 119.26 116.09 1x36 h ALA 224 Ca 0.00 -0.60 0.11 0.00 0.00 0.00 0.00 54.91 54.42 1x36 h ALA 224 Cb 0.26 -0.09 -0.11 0.00 0.00 0.00 0.00 17.79 17.85 1x36 h ALA 224 CO 0.00 0.81 -0.22 1.15 0.00 0.00 0.00 179.25 180.98 1x36 h THR 225 N 0.09 0.31 0.00 0.00 2.02 -1.64 0.32 112.91 114.01 1x36 h THR 225 Ca -0.01 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.17 1x36 h THR 225 Cb 1.21 0.31 0.00 0.00 -1.74 0.00 0.00 68.15 67.92 1x36 h THR 225 CO 0.10 0.00 0.00 -0.81 0.37 0.00 0.00 175.52 175.18 1x36 n PRO 226 N -5.43 0.89 -0.08 6.66 -0.04 -1.25 -3.69 135.00 132.06 1x36 n PRO 226 Ca 0.05 0.00 -0.07 0.00 -0.04 0.00 0.00 63.50 63.45 1x36 n PRO 226 Cb 0.33 -1.50 -0.13 0.00 -0.04 0.00 0.00 33.50 32.16 1x36 n PRO 226 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1x36 n LEU 227 N -1.01 0.00 -3.88 1.53 4.77 0.96 -4.64 117.00 114.72 1x36 n LEU 227 Ca 0.21 0.00 -0.12 0.00 -0.03 0.00 0.00 56.01 56.08 1x36 n LEU 227 Cb 0.11 0.38 -0.13 0.00 -2.33 0.00 0.00 43.42 41.44 1x36 n LEU 227 CO 0.17 0.38 -0.34 0.54 -1.33 0.00 0.00 177.39 176.80 1x36 s VAL 228 N -2.44 0.02 0.11 4.08 0.11 -0.12 -4.61 120.40 117.55 1x36 s VAL 228 Ca -0.08 -0.17 -0.07 0.00 -2.93 0.00 0.00 61.98 58.73 1x36 s VAL 228 Cb 0.05 -0.08 -0.20 0.00 -1.53 0.00 0.00 36.38 34.62 1x36 s VAL 228 CO 0.67 -0.09 1.26 1.55 -3.33 0.00 0.00 175.10 175.16 1x36 h PRO 229 N 5.84 0.49 -2.48 1.54 0.13 -1.83 -3.42 132.00 132.28 1x36 h PRO 229 Ca -0.26 -0.54 0.19 0.00 -0.87 0.00 0.00 66.00 64.52 1x36 h PRO 229 Cb 1.21 0.16 -0.04 0.00 0.13 0.00 0.00 31.00 32.46 1x36 h PRO 229 CO 0.48 1.18 0.62 0.00 -0.23 0.00 0.00 178.00 180.05 1x36 s ALA 230 N -3.25 -1.71 0.01 -0.56 0.00 -1.26 -4.69 121.76 110.30 1x36 s ALA 230 Ca -0.07 -0.28 0.03 0.00 0.00 0.00 0.00 51.96 51.64 1x36 s ALA 230 Cb 0.08 0.77 -0.01 0.00 0.00 0.00 0.00 23.12 23.96 1x36 s ALA 230 CO 0.88 -1.07 -0.08 -0.98 0.00 0.00 0.00 175.76 174.51 1x36 s ARG 231 N -2.17 0.61 -0.22 0.00 1.70 -0.49 -0.59 118.95 117.80 1x36 s ARG 231 Ca 0.23 -0.44 -0.16 0.00 -0.47 0.00 0.00 55.73 54.89 1x36 s ARG 231 Cb -0.02 -0.54 -0.04 0.00 -0.57 0.00 0.00 34.95 33.78 1x36 s ARG 231 CO 0.04 0.14 0.42 -1.17 -1.08 0.00 0.00 175.30 173.65 1x36 s LEU 232 N -0.62 4.13 -0.23 -1.89 2.96 0.53 -1.90 118.68 121.65 1x36 s LEU 232 Ca -0.00 0.50 -0.10 0.00 -0.22 0.00 0.00 54.13 54.31 1x36 s LEU 232 Cb -0.05 -2.54 -0.05 0.00 0.50 0.00 0.00 46.19 44.05 1x36 s LEU 232 CO 0.00 -0.12 0.14 -0.69 -1.32 0.00 0.00 176.35 174.36 1x36 s VAL 233 N 1.54 5.27 0.02 1.68 1.01 0.12 -1.47 120.40 128.57 1x36 s VAL 233 Ca 0.19 0.15 0.07 0.00 0.00 0.00 0.00 61.98 62.39 1x36 s VAL 233 Cb -0.15 -3.45 -0.03 0.00 0.00 0.00 0.00 36.38 32.76 1x36 s VAL 233 CO 0.08 0.36 -0.21 -0.63 0.00 0.00 0.00 175.10 174.71 1x36 s ILE 234 N 0.96 2.57 -0.01 2.22 1.09 0.99 -1.67 121.20 127.34 1x36 s ILE 234 Ca 0.07 -1.16 0.00 0.00 -1.10 0.00 0.00 60.65 58.46 1x36 s ILE 234 Cb -0.13 -2.03 0.02 0.00 -1.06 0.00 0.00 42.46 39.26 1x36 s ILE 234 CO 0.03 0.42 0.01 0.00 -0.10 0.00 0.00 174.94 175.30 1x36 s ALA 235 N -0.82 0.11 -0.05 9.38 0.00 -0.03 -0.39 121.76 129.96 1x36 s ALA 235 Ca 0.13 0.16 0.03 0.00 0.00 0.00 0.00 51.96 52.28 1x36 s ALA 235 Cb -0.10 -0.17 0.00 0.00 0.00 0.00 0.00 23.12 22.85 1x36 s ALA 235 CO 0.03 -0.06 -0.14 -0.51 0.00 0.00 0.00 175.76 175.09 1x36 s LEU 236 N 0.66 1.80 0.00 0.00 1.02 -0.74 -1.11 118.68 120.32 1x36 s LEU 236 Ca -0.06 -0.29 0.00 0.00 0.02 0.00 0.00 54.13 53.80 1x36 s LEU 236 Cb -0.08 -0.82 0.00 0.00 0.02 0.00 0.00 46.19 45.31 1x36 s LEU 236 CO -0.02 0.09 0.00 0.00 0.02 0.00 0.00 176.35 176.45 1x36 n LEU 237 N 3.39 0.00 -0.34 1.79 -0.00 -1.10 -1.28 117.00 119.46 1x36 n LEU 237 Ca -0.20 0.00 -0.04 0.00 -0.00 0.00 0.00 56.01 55.77 1x36 n LEU 237 Cb 0.53 0.00 -0.02 0.00 -0.00 0.00 0.00 43.42 43.93 1x36 n LEU 237 CO 0.25 0.00 -0.04 0.47 -0.00 0.00 0.00 177.39 178.07 1x36 n ASP 238 N -0.80 -4.69 -4.76 1.45 8.00 -1.25 -0.92 116.55 113.59 1x36 n ASP 238 Ca 0.00 0.11 -0.29 0.00 0.71 0.00 0.00 54.79 55.32 1x36 n ASP 238 Cb 0.00 -2.57 0.14 0.00 -0.02 0.00 0.00 41.12 38.67 1x36 n ASP 238 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 1x36 s GLY 239 N -2.31 1.58 0.00 0.44 0.00 0.22 -1.54 107.32 105.72 1x36 s GLY 239 Ca 0.00 -0.43 0.21 0.00 0.00 0.00 0.00 44.72 44.50 1x36 s GLY 239 CO 0.00 0.13 1.10 -1.14 0.00 0.00 0.00 173.10 173.19 1x36 n SER 240 N -3.84 2.40 -4.20 1.64 3.41 -1.26 -3.79 113.62 107.97 1x36 n SER 240 Ca 0.06 -1.70 -0.19 0.00 -0.26 0.00 0.00 58.87 56.78 1x36 n SER 240 Cb 0.58 0.20 -0.12 0.00 -0.26 0.00 0.00 64.21 64.62 1x36 n SER 240 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1x36 s SER 241 N -1.98 1.87 0.17 4.04 0.15 -1.26 -4.87 113.70 111.82 1x36 s SER 241 Ca 0.21 -0.68 0.26 0.00 0.70 0.00 0.00 55.95 56.44 1x36 s SER 241 Cb 0.17 -0.07 0.73 0.00 -1.71 0.00 0.00 66.02 65.15 1x36 s SER 241 CO 0.37 -0.08 1.68 -1.54 1.20 0.00 0.00 173.24 174.87 1x36 n SER 242 N 1.05 0.74 -4.72 5.45 3.41 -1.26 0.30 113.62 118.60 1x36 n SER 242 Ca -0.19 0.46 -0.35 0.00 -0.26 0.00 0.00 58.87 58.52 1x36 n SER 242 Cb 0.55 -0.56 -0.08 0.00 -0.26 0.00 0.00 64.21 63.86 1x36 n SER 242 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 1x36 s THR 243 N -3.11 5.39 0.21 6.66 2.01 -1.26 -4.77 115.64 120.77 1x36 s THR 243 Ca 0.10 0.24 -0.32 0.00 0.31 0.00 0.00 61.69 62.03 1x36 s THR 243 Cb 0.13 -3.50 -0.15 0.00 0.01 0.00 0.00 72.50 69.00 1x36 s THR 243 CO 0.62 0.42 1.24 0.00 -0.69 0.00 0.00 174.62 176.21 1x36 n ALA 244 N 3.64 0.02 -3.47 7.40 0.00 -1.26 -4.72 120.51 122.12 1x36 n ALA 244 Ca -0.15 0.43 -0.34 0.00 0.00 0.00 0.00 53.44 53.38 1x36 n ALA 244 Cb 0.52 -2.12 -0.15 0.00 0.00 0.00 0.00 19.45 17.70 1x36 n ALA 244 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1x36 s VAL 245 N -0.25 3.00 0.02 0.00 1.01 0.21 -4.83 120.40 119.57 1x36 s VAL 245 Ca 0.69 -0.64 -0.31 0.00 0.00 0.00 0.00 61.98 61.72 1x36 s VAL 245 Cb -0.76 -2.31 -0.10 0.00 0.00 0.00 0.00 36.38 33.21 1x36 s VAL 245 CO 0.52 0.48 1.92 0.00 0.00 0.00 0.00 175.10 178.02 1x36 n ALA 246 N 4.31 1.51 -0.05 5.51 0.00 -1.26 -0.84 120.51 129.68 1x36 n ALA 246 Ca -0.19 0.25 -0.08 0.00 0.00 0.00 0.00 53.44 53.42 1x36 n ALA 246 Cb 0.51 -2.61 -0.05 0.00 0.00 0.00 0.00 19.45 17.30 1x36 n ALA 246 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1x36 n ALA 247 N 6.87 1.85 -3.00 0.00 0.00 0.20 -4.72 120.51 121.71 1x36 n ALA 247 Ca 0.20 -0.46 0.00 0.00 0.00 0.00 0.00 53.44 53.19 1x36 n ALA 247 Cb 0.37 0.27 0.00 0.00 0.00 0.00 0.00 19.45 20.09 1x36 n ALA 247 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1x36 n GLY 248 N 2.87 1.28 3.04 0.00 0.00 -1.08 -0.56 105.19 110.74 1x36 n GLY 248 Ca -0.19 -0.62 -0.08 0.00 0.00 0.00 0.00 46.02 45.12 1x36 n GLY 248 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1x36 s ARG 249 N 1.02 0.47 -0.20 1.61 0.52 -0.23 -0.14 118.95 122.00 1x36 s ARG 249 Ca 0.00 -0.86 -0.04 0.00 -0.52 0.00 0.00 55.73 54.31 1x36 s ARG 249 Cb 0.00 0.17 -0.02 0.00 0.52 0.00 0.00 34.95 35.62 1x36 s ARG 249 CO 0.00 -0.09 -0.03 0.42 0.02 0.00 0.00 175.30 175.62 1x36 s ILE 250 N -2.57 3.66 0.11 1.52 1.01 0.51 -0.40 121.20 125.03 1x36 s ILE 250 Ca -0.06 -0.41 0.05 0.00 0.00 0.00 0.00 60.65 60.23 1x36 s ILE 250 Cb -0.02 -2.65 -0.04 0.00 0.01 0.00 0.00 42.46 39.76 1x36 s ILE 250 CO -0.05 0.43 0.02 -0.31 0.00 0.00 0.00 174.94 175.04 1x36 s TYR 251 N 1.11 3.02 -0.17 3.97 1.51 0.63 -0.40 117.35 127.02 1x36 s TYR 251 Ca 0.02 -0.02 -0.01 0.00 -1.01 0.00 0.00 57.07 56.05 1x36 s TYR 251 Cb -0.15 -1.53 -0.00 0.00 -0.11 0.00 0.00 41.96 40.18 1x36 s TYR 251 CO 0.00 0.49 -0.13 0.00 -1.11 0.00 0.00 175.55 174.81 1x36 s THR 253 N 0.93 3.42 0.05 0.00 2.01 0.08 -1.97 115.64 120.16 1x36 s THR 253 Ca -0.03 -0.51 -0.06 0.00 0.31 0.00 0.00 61.69 61.40 1x36 s THR 253 Cb -0.15 -2.49 -0.01 0.00 0.01 0.00 0.00 72.50 69.86 1x36 s THR 253 CO -0.01 0.49 0.12 -0.72 -0.69 0.00 0.00 174.62 173.80 1x36 s TYR 254 N 0.66 0.20 -0.22 4.92 -0.85 -0.11 -0.51 117.35 121.45 1x36 s TYR 254 Ca -0.04 -0.55 0.00 0.00 -0.52 0.00 0.00 57.07 55.97 1x36 s TYR 254 Cb -0.15 -0.14 0.05 0.00 0.38 0.00 0.00 41.96 42.11 1x36 s TYR 254 CO 0.02 -0.41 -0.06 0.99 -1.52 0.00 0.00 175.55 174.57 1x36 s THR 255 N -2.99 1.47 0.01 -3.49 2.01 0.12 -1.09 115.64 111.68 1x36 s THR 255 Ca -0.02 -1.08 0.08 0.00 0.31 0.00 0.00 61.69 60.98 1x36 s THR 255 Cb 0.01 -1.69 -0.02 0.00 0.01 0.00 0.00 72.50 70.81 1x36 s THR 255 CO -0.06 -0.02 -0.24 -0.51 -0.69 0.00 0.00 174.62 173.10 1x36 s ILE 256 N 1.44 1.94 -0.23 1.82 2.07 0.35 -0.71 121.20 127.89 1x36 s ILE 256 Ca -0.04 -1.18 -0.07 0.00 -1.41 0.00 0.00 60.65 57.95 1x36 s ILE 256 Cb -0.18 -1.64 -0.03 0.00 0.13 0.00 0.00 42.46 40.74 1x36 s ILE 256 CO -0.07 0.42 0.05 -1.10 -1.91 0.00 0.00 174.94 172.34 1x36 s GLN 257 N -0.90 3.70 -0.11 3.50 -0.21 -0.18 -1.29 119.66 124.17 1x36 s GLN 257 Ca 0.10 -0.46 -0.01 0.00 0.02 0.00 0.00 55.36 55.01 1x36 s GLN 257 Cb -0.09 -3.25 -0.02 0.00 1.00 0.00 0.00 33.01 30.64 1x36 s GLN 257 CO 0.01 -0.07 -0.08 -1.64 -2.12 0.00 0.00 175.29 171.38 1x36 s MET 258 N 1.27 3.24 0.20 2.91 -1.94 -0.07 -0.72 119.30 124.19 1x36 s MET 258 Ca 0.05 -0.59 0.02 0.00 -1.71 0.00 0.00 55.69 53.45 1x36 s MET 258 Cb -0.15 -2.69 -0.05 0.00 2.01 0.00 0.00 34.83 33.95 1x36 s MET 258 CO 0.03 0.38 0.00 0.96 -0.01 0.00 0.00 175.02 176.38 1x36 s ILE 259 N -0.05 0.80 -0.71 2.53 -4.36 -0.78 -1.57 121.20 117.06 1x36 s ILE 259 Ca -0.01 -2.00 -0.04 0.00 -0.26 0.00 0.00 60.65 58.35 1x36 s ILE 259 Cb -0.14 -2.21 0.00 0.00 1.25 0.00 0.00 42.46 41.37 1x36 s ILE 259 CO 0.03 -0.41 0.66 -0.62 0.24 0.00 0.00 174.94 174.85 1x36 n GLU 260 N -0.31 -1.52 -1.13 0.37 1.02 -1.26 -2.34 120.64 115.47 1x36 n GLU 260 Ca -0.06 1.38 -0.35 0.00 -0.02 0.00 0.00 57.16 58.12 1x36 n GLU 260 Cb 0.63 -4.74 0.09 0.00 -0.02 0.00 0.00 31.44 27.41 1x36 n GLU 260 CO 0.00 0.00 0.00 -0.35 1.18 0.00 0.00 177.13 177.96 1x36 n PRO 261 N -1.75 0.15 -3.57 3.49 -0.04 -1.26 -0.26 135.00 131.77 1x36 n PRO 261 Ca -0.07 0.10 -0.14 0.00 -0.04 0.00 0.00 63.50 63.35 1x36 n PRO 261 Cb 0.55 -1.93 -0.05 0.00 -0.04 0.00 0.00 33.50 32.03 1x36 n PRO 261 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 1x36 s THR 262 N -2.05 0.03 0.16 0.52 -1.32 -0.35 -4.66 115.64 107.98 1x36 s THR 262 Ca 0.65 -0.23 -0.32 0.00 -1.21 0.00 0.00 61.69 60.58 1x36 s THR 262 Cb -0.31 -0.98 -0.10 0.00 -1.51 0.00 0.00 72.50 69.60 1x36 s THR 262 CO 0.59 -0.13 1.56 0.00 -2.21 0.00 0.00 174.62 174.43 1x36 s ALA 263 N -2.54 3.77 0.43 11.08 0.00 -1.26 -4.40 121.76 128.84 1x36 s ALA 263 Ca -0.05 1.36 0.14 0.00 0.00 0.00 0.00 51.96 53.41 1x36 s ALA 263 Cb -0.01 -3.62 1.04 0.00 0.00 0.00 0.00 23.12 20.54 1x36 s ALA 263 CO -0.02 -0.77 1.97 0.66 0.00 0.00 0.00 175.76 177.60 1x36 h SER 264 N 6.76 0.37 -0.02 0.00 4.64 -1.89 -1.90 113.55 121.51 1x36 h SER 264 Ca -0.43 0.01 0.01 0.00 -0.47 0.00 0.00 61.79 60.91 1x36 h SER 264 Cb 1.20 -0.07 -0.00 0.00 -0.31 0.00 0.00 62.40 63.23 1x36 h SER 264 CO 0.91 0.22 0.03 0.00 -0.87 0.00 0.00 176.83 177.12 1x36 h ALA 265 N 1.69 1.40 0.00 5.18 0.00 -1.89 -2.00 119.26 123.64 1x36 h ALA 265 Ca 0.29 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.20 1x36 h ALA 265 Cb 0.60 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.39 1x36 h ALA 265 CO -0.08 -0.04 -0.67 1.28 0.00 0.00 0.00 179.25 179.73 1x36 n LEU 266 N -3.59 0.64 -4.59 0.00 4.77 -0.71 -4.89 117.00 108.63 1x36 n LEU 266 Ca -0.02 -0.12 -0.43 0.00 -0.03 0.00 0.00 56.01 55.41 1x36 n LEU 266 Cb 0.11 -0.17 -0.02 0.00 -2.33 0.00 0.00 43.42 41.01 1x36 n LEU 266 CO 0.25 0.14 1.11 0.21 -1.33 0.00 0.00 177.39 177.77 1x36 s ASN 267 N -3.11 6.45 0.00 -1.43 3.84 -0.75 -5.07 114.94 114.86 1x36 s ASN 267 Ca 0.09 0.37 0.13 0.00 0.21 0.00 0.00 52.86 53.66 1x36 s ASN 267 Cb 0.17 -2.55 0.10 0.00 -0.55 0.00 0.00 41.25 38.42 1x36 s ASN 267 CO 0.75 -1.43 0.91 0.59 -2.79 0.00 0.00 177.10 175.13