#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x33 n GLY 73 N 0.00 3.02 3.79 -0.02 0.00 -1.26 -5.03 105.19 105.69 1x33 n GLY 73 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 1x33 n GLY 73 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1x33 s ILE 74 N -2.59 4.38 -0.25 -0.61 -4.36 -1.26 -4.53 121.20 111.97 1x33 s ILE 74 Ca 0.00 1.61 0.02 0.00 -0.26 0.00 0.00 60.65 62.02 1x33 s ILE 74 Cb 0.00 -4.01 0.06 0.00 1.25 0.00 0.00 42.46 39.76 1x33 s ILE 74 CO 0.00 0.29 -0.10 -0.89 0.24 0.00 0.00 174.94 174.48 1x33 s THR 75 N -1.43 2.01 -0.23 8.37 2.01 -0.86 -4.97 115.64 120.54 1x33 s THR 75 Ca 0.43 -1.52 -0.12 0.00 0.31 0.00 0.00 61.69 60.79 1x33 s THR 75 Cb -0.20 -2.15 -0.05 0.00 0.01 0.00 0.00 72.50 70.12 1x33 s THR 75 CO 0.24 -0.03 0.23 -0.69 -0.69 0.00 0.00 174.62 173.68 1x33 s VAL 76 N 1.18 5.31 -0.02 3.82 1.01 -1.26 -1.44 120.40 129.00 1x33 s VAL 76 Ca -0.08 0.33 0.04 0.00 0.00 0.00 0.00 61.98 62.27 1x33 s VAL 76 Cb -0.19 -3.57 -0.01 0.00 0.00 0.00 0.00 36.38 32.61 1x33 s VAL 76 CO -0.06 0.31 -0.14 -0.22 0.00 0.00 0.00 175.10 175.00 1x33 s LEU 77 N 1.19 1.94 -0.12 3.92 0.20 -0.61 -5.00 118.68 120.19 1x33 s LEU 77 Ca 0.11 -0.26 0.01 0.00 0.69 0.00 0.00 54.13 54.67 1x33 s LEU 77 Cb -0.14 -0.74 0.02 0.00 -0.43 0.00 0.00 46.19 44.90 1x33 s LEU 77 CO 0.06 0.14 -0.13 -0.89 -0.29 0.00 0.00 176.35 175.24 1x33 s THR 78 N -0.11 1.40 0.16 3.68 2.01 -1.26 -0.80 115.64 120.71 1x33 s THR 78 Ca 0.01 -0.55 -0.14 0.00 0.31 0.00 0.00 61.69 61.32 1x33 s THR 78 Cb -0.08 -1.32 0.02 0.00 0.01 0.00 0.00 72.50 71.13 1x33 s THR 78 CO 0.00 0.43 0.39 -2.28 -0.69 0.00 0.00 174.62 172.47 1x33 s HIS 79 N 1.30 0.02 -0.19 4.92 5.04 -0.41 -5.01 115.29 120.97 1x33 s HIS 79 Ca -0.00 -0.38 -0.05 0.00 -1.54 0.00 0.00 55.06 53.09 1x33 s HIS 79 Cb -0.14 0.19 0.07 0.00 0.04 0.00 0.00 32.58 32.74 1x33 s HIS 79 CO -0.06 -0.77 0.09 0.45 -2.34 0.00 0.00 174.74 172.11 1x33 s SER 80 N -2.88 2.55 0.39 9.88 0.15 -1.26 -1.36 113.70 121.17 1x33 s SER 80 Ca 0.09 -0.72 0.05 0.00 0.70 0.00 0.00 55.95 56.07 1x33 s SER 80 Cb 0.01 -0.29 -0.06 0.00 -1.71 0.00 0.00 66.02 63.98 1x33 s SER 80 CO -0.05 -0.36 0.04 -1.83 1.20 0.00 0.00 173.24 172.24 1x33 s GLU 81 N 2.11 1.87 0.08 5.44 -1.05 -1.11 -4.97 118.70 121.06 1x33 s GLU 81 Ca 0.03 -2.08 -0.31 0.00 -0.15 0.00 0.00 54.97 52.46 1x33 s GLU 81 Cb -0.16 -1.23 -0.07 0.00 -0.44 0.00 0.00 34.13 32.23 1x33 s GLU 81 CO -0.13 -0.18 1.40 -1.17 0.95 0.00 0.00 175.26 176.13 1x33 s LEU 82 N -3.63 4.36 -0.20 1.83 2.96 -1.26 -1.78 118.68 120.95 1x33 s LEU 82 Ca 0.31 2.27 0.07 0.00 -0.22 0.00 0.00 54.13 56.56 1x33 s LEU 82 Cb 0.08 -3.58 -0.17 0.00 0.50 0.00 0.00 46.19 43.02 1x33 s LEU 82 CO 0.15 -0.68 -0.10 -0.24 -1.32 0.00 0.00 176.35 174.16 1x33 n SER 83 N 4.40 1.69 -3.64 3.68 2.88 0.15 -4.59 113.62 118.19 1x33 n SER 83 Ca 0.12 -0.08 -0.08 0.00 -1.33 0.00 0.00 58.87 57.50 1x33 n SER 83 Cb 0.43 0.13 -0.07 0.00 -0.75 0.00 0.00 64.21 63.94 1x33 n SER 83 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1x33 s ALA 84 N -2.44 -1.99 0.18 -1.46 0.00 -0.29 -4.81 121.76 110.94 1x33 s ALA 84 Ca -0.22 2.02 -0.19 0.00 0.00 0.00 0.00 51.96 53.57 1x33 s ALA 84 Cb 0.07 -1.45 -0.08 0.00 0.00 0.00 0.00 23.12 21.66 1x33 s ALA 84 CO 0.59 -0.29 0.67 -1.21 0.00 0.00 0.00 175.76 175.52 1x33 s GLU 85 N 0.61 4.23 -0.24 0.00 2.02 -1.26 0.50 118.70 124.56 1x33 s GLU 85 Ca -0.01 0.81 -0.01 0.00 0.02 0.00 0.00 54.97 55.79 1x33 s GLU 85 Cb -0.05 -2.99 0.03 0.00 0.10 0.00 0.00 34.13 31.22 1x33 s GLU 85 CO -0.08 0.47 -0.09 0.42 0.02 0.00 0.00 175.26 176.00 1x33 s ILE 86 N -1.40 2.64 0.49 -1.63 -1.09 0.89 -4.94 121.20 116.17 1x33 s ILE 86 Ca 0.39 -1.09 -0.07 0.00 -2.23 0.00 0.00 60.65 57.65 1x33 s ILE 86 Cb -0.18 -2.33 -0.04 0.00 -1.58 0.00 0.00 42.46 38.34 1x33 s ILE 86 CO 0.21 0.23 0.83 -0.83 -1.23 0.00 0.00 174.94 174.15 1x33 s GLY 87 N 1.29 1.60 -0.35 6.18 0.00 -1.26 -1.78 107.32 113.00 1x33 s GLY 87 Ca -0.00 -0.38 0.02 0.00 0.00 0.00 0.00 44.72 44.36 1x33 s GLY 87 CO -0.06 -0.19 0.10 0.14 0.00 0.00 0.00 173.10 173.09 1x33 s VAL 88 N -2.76 1.70 0.28 1.40 1.01 -0.94 -4.82 120.40 116.27 1x33 s VAL 88 Ca 0.49 -2.10 0.03 0.00 0.00 0.00 0.00 61.98 60.41 1x33 s VAL 88 Cb -0.10 -2.25 0.03 0.00 0.00 0.00 0.00 36.38 34.06 1x33 s VAL 88 CO 0.44 -0.68 0.29 0.35 0.00 0.00 0.00 175.10 175.50 1x33 n THR 89 N 4.30 0.00 -0.03 3.92 -2.24 -1.26 -3.72 114.28 115.25 1x33 n THR 89 Ca 0.02 -1.02 0.02 0.00 -2.27 0.00 0.00 64.05 60.80 1x33 n THR 89 Cb 0.40 -0.49 -0.12 0.00 -2.10 0.00 0.00 70.33 68.03 1x33 n THR 89 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 1x33 n ASP 90 N -2.25 1.35 -4.86 3.42 5.75 -1.10 -1.54 116.55 117.33 1x33 n ASP 90 Ca 0.03 0.00 -0.36 0.00 -0.01 0.00 0.00 54.79 54.45 1x33 n ASP 90 Cb 0.30 1.38 -0.06 0.00 -1.03 0.00 0.00 41.12 41.72 1x33 n ASP 90 CO 0.00 0.00 0.00 -0.44 -0.11 0.00 0.00 177.20 176.65 1x33 s SER 91 N -4.23 6.70 -0.45 -1.12 0.01 -1.26 -3.39 113.70 109.95 1x33 s SER 91 Ca -0.06 0.86 -0.29 0.00 1.31 0.00 0.00 55.95 57.77 1x33 s SER 91 Cb 0.08 -2.21 0.01 0.00 0.21 0.00 0.00 66.02 64.12 1x33 s SER 91 CO 0.64 0.21 1.37 -0.51 0.41 0.00 0.00 173.24 175.36 1x33 s ILE 92 N -1.31 3.93 -0.24 1.44 1.10 -1.26 -4.68 121.20 120.18 1x33 s ILE 92 Ca 0.31 0.92 -0.08 0.00 -0.51 0.00 0.00 60.65 61.29 1x33 s ILE 92 Cb -0.15 -4.32 -0.03 0.00 0.15 0.00 0.00 42.46 38.11 1x33 s ILE 92 CO 0.17 -0.88 0.08 -0.69 -2.11 0.00 0.00 174.94 171.51 1x33 s VAL 93 N 5.40 4.51 -0.23 4.00 1.01 -1.26 -4.98 120.40 128.85 1x33 s VAL 93 Ca 0.57 -0.11 -0.06 0.00 0.00 0.00 0.00 61.98 62.38 1x33 s VAL 93 Cb -0.12 -3.10 -0.02 0.00 0.00 0.00 0.00 36.38 33.14 1x33 s VAL 93 CO 0.31 0.35 0.03 -0.69 0.00 0.00 0.00 175.10 175.10 1x33 s VAL 94 N 1.40 4.00 0.37 2.92 1.01 -1.26 -2.86 120.40 125.97 1x33 s VAL 94 Ca 0.05 -0.28 0.02 0.00 0.00 0.00 0.00 61.98 61.77 1x33 s VAL 94 Cb -0.15 -2.85 0.02 0.00 0.00 0.00 0.00 36.38 33.40 1x33 s VAL 94 CO 0.04 0.38 0.15 -1.54 0.00 0.00 0.00 175.10 174.13 1x33 n SER 95 N 4.78 2.57 -3.63 3.32 3.41 -0.28 -4.99 113.62 118.81 1x33 n SER 95 Ca -0.17 -2.42 -0.11 0.00 -0.26 0.00 0.00 58.87 55.91 1x33 n SER 95 Cb 0.51 0.10 -0.07 0.00 -0.26 0.00 0.00 64.21 64.50 1x33 n SER 95 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1x33 s SER 96 N -3.08 -0.55 0.06 4.04 1.04 -1.26 -1.93 113.70 112.01 1x33 s SER 96 Ca 0.11 1.05 0.08 0.00 0.48 0.00 0.00 55.95 57.67 1x33 s SER 96 Cb -0.01 1.06 -0.03 0.00 0.10 0.00 0.00 66.02 67.14 1x33 s SER 96 CO 0.07 -0.20 -0.22 -1.61 0.98 0.00 0.00 173.24 172.27 1x33 s GLU 97 N 0.22 1.40 0.49 4.02 0.41 -0.72 -4.96 118.70 119.56 1x33 s GLU 97 Ca 0.02 -1.03 -0.19 0.00 -0.41 0.00 0.00 54.97 53.36 1x33 s GLU 97 Cb -0.05 -1.57 -0.09 0.00 -1.78 0.00 0.00 34.13 30.64 1x33 s GLU 97 CO -0.03 0.40 0.99 -0.51 -0.49 0.00 0.00 175.26 175.61 1x33 s LEU 98 N -1.37 3.76 -1.01 1.80 1.43 -1.26 -0.36 118.68 121.67 1x33 s LEU 98 Ca 0.08 1.70 -0.01 0.00 -1.03 0.00 0.00 54.13 54.88 1x33 s LEU 98 Cb -0.09 -4.53 0.32 0.00 0.03 0.00 0.00 46.19 41.91 1x33 s LEU 98 CO 0.02 -0.62 1.70 0.52 0.23 0.00 0.00 176.35 178.21 1x33 n VAL 99 N -1.21 5.75 -4.26 -1.59 0.31 -1.13 -4.44 118.33 111.76 1x33 n VAL 99 Ca 0.07 -5.95 -0.19 0.00 -0.01 0.00 0.00 64.34 58.26 1x33 n VAL 99 Cb 0.54 -1.65 -0.11 0.00 -0.91 0.00 0.00 33.84 31.70 1x33 n VAL 99 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1x33 s MET 100 N -3.96 1.06 0.19 5.55 0.23 -1.26 -4.57 119.30 116.54 1x33 s MET 100 Ca 0.38 -1.24 -0.19 0.00 -1.03 0.00 0.00 55.69 53.61 1x33 s MET 100 Cb 0.17 -1.03 0.15 0.00 -1.53 0.00 0.00 34.83 32.59 1x33 s MET 100 CO -0.08 0.21 1.59 -1.35 -2.03 0.00 0.00 175.02 173.36 1x33 h PRO 101 N 3.60 -0.13 -1.24 3.16 0.11 -1.92 -1.56 132.00 134.02 1x33 h PRO 101 Ca -0.41 0.01 0.36 0.00 0.11 0.00 0.00 66.00 66.07 1x33 h PRO 101 Cb 1.20 0.03 -0.06 0.00 0.11 0.00 0.00 31.00 32.28 1x33 h PRO 101 CO 0.49 -0.09 0.88 -0.92 -0.21 0.00 0.00 178.00 178.15 1x33 h TYR 102 N -0.14 0.10 0.00 0.65 5.03 -1.89 -2.57 116.97 118.16 1x33 h TYR 102 Ca 0.25 0.00 -0.21 0.00 2.58 0.00 0.00 58.73 61.35 1x33 h TYR 102 Cb 0.54 -0.03 -0.04 0.00 1.55 0.00 0.00 36.73 38.75 1x33 h TYR 102 CO -0.61 -0.00 -2.05 0.25 -1.32 0.00 0.00 178.16 174.43 1x33 n THR 103 N -4.23 0.78 -0.25 1.81 -2.24 -0.66 -4.59 114.28 104.90 1x33 n THR 103 Ca 0.28 -0.62 -0.10 0.00 -2.27 0.00 0.00 64.05 61.34 1x33 n THR 103 Cb 1.27 -0.34 -0.06 0.00 -2.10 0.00 0.00 70.33 69.10 1x33 n THR 103 CO 0.00 0.00 0.00 0.58 -0.57 0.00 0.00 175.07 175.08 1x33 h VAL 104 N 0.00 0.04 -2.61 2.28 2.07 -0.94 -3.45 116.25 113.64 1x33 h VAL 104 Ca -0.31 0.00 0.11 0.00 0.82 0.00 0.00 66.70 67.32 1x33 h VAL 104 Cb 1.65 0.04 -0.09 0.00 -1.52 0.00 0.00 31.29 31.36 1x33 h VAL 104 CO 0.02 0.00 0.38 -0.83 0.02 0.00 0.00 177.57 177.15 1x33 s GLY 105 N -2.72 -0.29 0.20 2.17 0.00 -1.25 -4.40 107.32 101.03 1x33 s GLY 105 Ca -0.14 0.22 -0.06 0.00 0.00 0.00 0.00 44.72 44.74 1x33 s GLY 105 CO 0.65 0.06 1.65 -0.91 0.00 0.00 0.00 173.10 174.55 1x33 h THR 106 N 2.00 1.26 0.23 0.90 1.35 -1.87 -1.46 112.91 115.32 1x33 h THR 106 Ca -0.24 -1.20 -0.01 0.00 -0.55 0.00 0.00 66.41 64.41 1x33 h THR 106 Cb 1.25 0.97 0.00 0.00 -1.73 0.00 0.00 68.15 68.64 1x33 h THR 106 CO 0.28 0.42 -0.11 -0.25 -0.25 0.00 0.00 175.52 175.61 1x33 h TRP 107 N 0.83 -0.29 -0.76 4.73 7.01 -1.97 -2.67 115.95 122.84 1x33 h TRP 107 Ca 0.14 -0.01 -0.03 0.00 2.11 0.00 0.00 58.89 61.11 1x33 h TRP 107 Cb 0.62 0.10 -0.04 0.00 -2.10 0.00 0.00 29.16 27.74 1x33 h TRP 107 CO 0.04 -0.07 0.37 1.25 -2.79 0.00 0.00 178.44 177.24 1x33 h LEU 108 N -0.47 0.97 -0.76 0.65 5.85 -1.89 -2.01 115.31 117.65 1x33 h LEU 108 Ca -0.03 -0.11 0.15 0.00 0.84 0.00 0.00 57.88 58.73 1x33 h LEU 108 Cb 0.35 -0.25 -0.10 0.00 0.37 0.00 0.00 40.66 41.04 1x33 h LEU 108 CO 0.05 0.82 0.29 -0.09 -0.34 0.00 0.00 178.44 179.17 1x33 h ARG 109 N 1.07 0.40 -0.34 1.25 2.43 -1.12 -0.27 114.38 117.80 1x33 h ARG 109 Ca 0.26 -0.02 -0.06 0.00 -0.81 0.00 0.00 59.98 59.34 1x33 h ARG 109 Cb 0.10 -0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 29.54 1x33 h ARG 109 CO -0.03 0.26 -0.04 0.78 -1.51 0.00 0.00 179.97 179.43 1x33 h GLY 110 N 0.41 0.68 0.19 2.80 0.00 -1.02 -3.16 103.07 102.97 1x33 h GLY 110 Ca 0.42 -0.53 -0.00 0.00 0.00 0.00 0.00 47.33 47.22 1x33 h GLY 110 CO -0.43 0.49 -0.01 -0.39 0.00 0.00 0.00 176.54 176.20 1x33 h VAL 111 N 0.43 1.40 0.00 4.60 -1.51 -1.21 -3.32 116.25 116.65 1x33 h VAL 111 Ca 0.09 -1.75 0.00 0.00 -1.23 0.00 0.00 66.70 63.81 1x33 h VAL 111 Cb 0.52 2.51 0.00 0.00 -2.13 0.00 0.00 31.29 32.19 1x33 h VAL 111 CO 0.03 0.42 0.22 0.00 -1.23 0.00 0.00 177.57 177.01 1x33 h ALA 112 N -0.00 1.21 0.00 5.19 0.00 -1.19 -1.16 119.26 123.31 1x33 h ALA 112 Ca -0.00 0.00 -0.06 0.00 0.00 0.00 0.00 54.91 54.85 1x33 h ALA 112 Cb 0.72 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.50 1x33 h ALA 112 CO 0.01 -0.21 -0.27 0.00 0.00 0.00 0.00 179.25 178.77 1x33 h ALA 113 N 1.53 0.98 0.00 0.00 0.00 -1.64 -2.93 119.26 117.20 1x33 h ALA 113 Ca 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.66 1x33 h ALA 113 Cb 0.45 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.19 1x33 h ALA 113 CO 0.00 0.34 0.00 0.09 0.00 0.00 0.00 179.25 179.68 1x33 n ASN 114 N -3.40 0.00 -4.22 0.00 5.03 -0.44 -4.53 115.26 107.71 1x33 n ASN 114 Ca 0.00 0.01 -0.29 0.00 0.87 0.00 0.00 54.58 55.17 1x33 n ASN 114 Cb 0.48 -0.28 -0.16 0.00 -1.02 0.00 0.00 39.78 38.79 1x33 n ASN 114 CO 0.00 0.00 0.00 0.26 -1.83 0.00 0.00 177.26 175.69 1x33 s TRP 115 N -2.56 2.15 0.10 3.10 0.51 -1.11 -0.52 118.94 120.61 1x33 s TRP 115 Ca 0.18 -0.60 -0.21 0.00 -2.12 0.00 0.00 56.10 53.34 1x33 s TRP 115 Cb 0.12 -1.42 -0.11 0.00 -0.81 0.00 0.00 33.47 31.26 1x33 s TRP 115 CO 0.28 -0.18 1.74 0.77 -0.51 0.00 0.00 176.95 179.05 1x33 h SER 116 N 6.06 0.13 -1.89 2.95 0.02 -0.53 -3.44 113.55 116.85 1x33 h SER 116 Ca -0.33 -0.03 -0.61 0.00 -0.84 0.00 0.00 61.79 59.98 1x33 h SER 116 Cb 1.17 -0.03 -0.13 0.00 0.14 0.00 0.00 62.40 63.54 1x33 h SER 116 CO 0.47 0.12 -0.52 -0.54 -1.14 0.00 0.00 176.83 175.23 1x33 s LYS 117 N -6.08 2.04 0.31 3.45 1.02 -1.10 -1.25 119.74 118.12 1x33 s LYS 117 Ca -0.13 -2.27 -0.19 0.00 0.02 0.00 0.00 55.97 53.40 1x33 s LYS 117 Cb 0.07 -1.05 0.06 0.00 -0.52 0.00 0.00 37.83 36.39 1x33 s LYS 117 CO 0.68 -0.41 0.86 1.52 -0.92 0.00 0.00 175.35 177.08 1x33 s TYR 118 N -3.05 0.06 -0.21 3.18 1.13 -0.73 -1.87 117.35 115.86 1x33 s TYR 118 Ca 0.16 -0.61 -0.10 0.00 -1.41 0.00 0.00 57.07 55.11 1x33 s TYR 118 Cb 0.02 0.78 0.08 0.00 -1.10 0.00 0.00 41.96 41.74 1x33 s TYR 118 CO 0.10 -1.32 0.49 0.45 -2.51 0.00 0.00 175.55 172.76 1x33 s SER 119 N -3.13 -0.58 0.28 -0.18 0.15 -0.70 -1.24 113.70 108.30 1x33 s SER 119 Ca 0.16 1.10 -0.29 0.00 0.70 0.00 0.00 55.95 57.62 1x33 s SER 119 Cb -0.04 1.19 -0.10 0.00 -1.71 0.00 0.00 66.02 65.36 1x33 s SER 119 CO 0.09 -0.22 1.15 0.26 1.20 0.00 0.00 173.24 175.72 1x33 s TRP 120 N 1.92 3.46 -0.04 3.44 0.23 -1.26 -2.36 118.94 124.34 1x33 s TRP 120 Ca -0.07 1.61 0.05 0.00 -2.03 0.00 0.00 56.10 55.66 1x33 s TRP 120 Cb -0.09 -3.38 -0.07 0.00 0.03 0.00 0.00 33.47 29.97 1x33 s TRP 120 CO -0.15 -0.87 0.04 1.28 0.96 0.00 0.00 176.95 178.21 1x33 n LEU 121 N 1.27 0.00 -3.26 2.99 4.77 -0.62 -4.97 117.00 117.18 1x33 n LEU 121 Ca -0.00 0.00 0.03 0.00 -0.03 0.00 0.00 56.01 56.01 1x33 n LEU 121 Cb 0.44 0.09 -0.03 0.00 -2.33 0.00 0.00 43.42 41.60 1x33 n LEU 121 CO 0.55 0.09 0.58 -0.55 -1.33 0.00 0.00 177.39 176.74 1x33 s SER 122 N -3.37 -0.56 -0.09 -1.43 0.15 -1.15 -4.93 113.70 102.32 1x33 s SER 122 Ca -0.02 0.55 0.04 0.00 0.70 0.00 0.00 55.95 57.22 1x33 s SER 122 Cb 0.02 1.55 -0.00 0.00 -1.71 0.00 0.00 66.02 65.88 1x33 s SER 122 CO 0.20 -0.11 -0.23 -0.69 1.20 0.00 0.00 173.24 173.61 1x33 s VAL 123 N 2.66 2.00 -0.10 4.45 1.01 -1.26 -1.39 120.40 127.77 1x33 s VAL 123 Ca 0.00 -0.99 -0.04 0.00 0.00 0.00 0.00 61.98 60.95 1x33 s VAL 123 Cb -0.08 -1.72 0.05 0.00 0.00 0.00 0.00 36.38 34.63 1x33 s VAL 123 CO -0.15 0.55 0.17 -0.60 0.00 0.00 0.00 175.10 175.07 1x33 s ARG 124 N 0.27 0.06 -0.21 2.72 3.52 -0.91 -1.54 118.95 122.86 1x33 s ARG 124 Ca -0.16 0.51 -0.14 0.00 -0.13 0.00 0.00 55.73 55.81 1x33 s ARG 124 Cb -0.17 -0.44 -0.04 0.00 -1.56 0.00 0.00 34.95 32.74 1x33 s ARG 124 CO 0.08 -0.36 0.30 0.71 -0.81 0.00 0.00 175.30 175.21 1x33 s TYR 125 N 2.30 3.37 -0.04 5.12 1.51 -0.79 -0.57 117.35 128.25 1x33 s TYR 125 Ca 0.03 0.48 0.05 0.00 -1.01 0.00 0.00 57.07 56.63 1x33 s TYR 125 Cb -0.13 -2.41 -0.01 0.00 -0.11 0.00 0.00 41.96 39.31 1x33 s TYR 125 CO -0.07 0.06 -0.21 0.99 -1.11 0.00 0.00 175.55 175.21 1x33 s THR 126 N 1.09 1.69 -0.10 -0.71 2.01 0.60 -1.94 115.64 118.28 1x33 s THR 126 Ca 0.15 -0.88 -0.14 0.00 0.31 0.00 0.00 61.69 61.13 1x33 s THR 126 Cb -0.14 -1.43 -0.05 0.00 0.01 0.00 0.00 72.50 70.89 1x33 s THR 126 CO 0.06 0.48 0.34 -0.47 -0.69 0.00 0.00 174.62 174.33 1x33 s TYR 127 N -0.15 3.56 -0.09 4.92 5.04 0.13 -0.04 117.35 130.72 1x33 s TYR 127 Ca -0.01 0.74 0.02 0.00 -2.44 0.00 0.00 57.07 55.38 1x33 s TYR 127 Cb -0.11 -2.32 0.01 0.00 0.35 0.00 0.00 41.96 39.89 1x33 s TYR 127 CO 0.02 0.40 -0.13 0.42 -1.34 0.00 0.00 175.55 174.91 1x33 s ILE 128 N -0.11 1.29 0.87 3.14 -1.09 0.46 -4.54 121.20 121.22 1x33 s ILE 128 Ca 0.20 -0.54 -0.12 0.00 -2.23 0.00 0.00 60.65 57.96 1x33 s ILE 128 Cb -0.14 -1.18 0.12 0.00 -1.58 0.00 0.00 42.46 39.67 1x33 s ILE 128 CO 0.07 0.39 1.11 -2.16 -1.23 0.00 0.00 174.94 173.13 1x33 s PRO 129 N 0.87 1.45 0.00 2.79 0.04 -1.26 -0.58 135.00 138.30 1x33 s PRO 129 Ca -0.10 0.51 0.00 0.00 0.04 0.00 0.00 61.00 61.45 1x33 s PRO 129 Cb -0.15 -1.86 0.00 0.00 0.04 0.00 0.00 34.50 32.53 1x33 s PRO 129 CO 0.01 -2.03 0.55 -1.13 0.04 0.00 0.00 177.00 174.44 1x33 n SER 130 N -3.69 -0.06 -4.55 6.66 3.41 0.55 -4.81 113.62 111.13 1x33 n SER 130 Ca 0.07 -1.10 -0.27 0.00 -0.26 0.00 0.00 58.87 57.30 1x33 n SER 130 Cb 0.57 0.01 -0.10 0.00 -0.26 0.00 0.00 64.21 64.44 1x33 n SER 130 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1x33 s PRO 132 N -3.80 3.16 0.42 0.00 0.02 -1.26 -4.92 135.00 128.62 1x33 s PRO 132 Ca 0.27 0.92 0.29 0.00 0.02 0.00 0.00 61.00 62.50 1x33 s PRO 132 Cb 0.07 -2.02 1.25 0.00 0.02 0.00 0.00 34.50 33.81 1x33 s PRO 132 CO 0.13 -0.92 1.87 0.66 -0.33 0.00 0.00 177.00 178.41 1x33 h SER 133 N -0.50 0.00 -0.07 2.53 4.64 -2.00 -2.36 113.55 115.79 1x33 h SER 133 Ca -0.44 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.88 1x33 h SER 133 Cb 1.20 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.29 1x33 h SER 133 CO 0.58 0.00 0.00 -1.54 -0.87 0.00 0.00 176.83 175.00 1x33 n SER 134 N -2.68 0.57 -4.59 4.97 3.41 -1.26 -4.80 113.62 109.24 1x33 n SER 134 Ca 0.01 -2.02 -0.39 0.00 -0.26 0.00 0.00 58.87 56.21 1x33 n SER 134 Cb 0.25 -0.14 -0.09 0.00 -0.26 0.00 0.00 64.21 63.97 1x33 n SER 134 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 1x33 s THR 135 N -1.77 5.18 0.28 6.66 2.01 -0.89 -5.06 115.64 122.05 1x33 s THR 135 Ca 0.05 0.39 -0.24 0.00 0.31 0.00 0.00 61.69 62.19 1x33 s THR 135 Cb 0.03 -3.72 -0.09 0.00 0.01 0.00 0.00 72.50 68.72 1x33 s THR 135 CO 0.03 0.09 0.87 0.00 -0.69 0.00 0.00 174.62 174.91 1x33 s ALA 136 N 2.04 3.30 0.00 7.40 0.00 -1.26 -4.73 121.76 128.51 1x33 s ALA 136 Ca 0.14 0.41 0.00 0.00 0.00 0.00 0.00 51.96 52.51 1x33 s ALA 136 Cb -0.16 -3.06 0.00 0.00 0.00 0.00 0.00 23.12 19.90 1x33 s ALA 136 CO 0.11 0.23 0.00 0.41 0.00 0.00 0.00 175.76 176.51 1x33 n GLY 137 N 0.75 4.14 2.93 0.00 0.00 -1.26 -4.04 105.19 107.72 1x33 n GLY 137 Ca -0.00 -1.55 -0.11 0.00 0.00 0.00 0.00 46.02 44.36 1x33 n GLY 137 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1x33 s SER 138 N 0.00 0.15 0.06 1.61 1.04 -1.22 -2.15 113.70 113.19 1x33 s SER 138 Ca 0.00 -0.26 0.06 0.00 0.48 0.00 0.00 55.95 56.23 1x33 s SER 138 Cb 0.00 0.05 -0.04 0.00 0.10 0.00 0.00 66.02 66.13 1x33 s SER 138 CO 0.00 -0.15 -0.13 -0.51 0.98 0.00 0.00 173.24 173.43 1x33 s ILE 139 N -0.76 3.16 0.04 -1.02 2.07 -0.69 -3.34 121.20 120.65 1x33 s ILE 139 Ca -0.08 -1.16 0.04 0.00 -1.41 0.00 0.00 60.65 58.04 1x33 s ILE 139 Cb -0.05 -2.40 -0.02 0.00 0.13 0.00 0.00 42.46 40.12 1x33 s ILE 139 CO -0.00 0.25 -0.12 -1.00 -1.91 0.00 0.00 174.94 172.16 1x33 s HIS 140 N -1.05 1.07 0.01 3.50 3.76 -0.00 -2.76 115.29 119.82 1x33 s HIS 140 Ca 0.18 -0.36 -0.01 0.00 -0.15 0.00 0.00 55.06 54.72 1x33 s HIS 140 Cb -0.11 -0.63 -0.01 0.00 1.11 0.00 0.00 32.58 32.93 1x33 s HIS 140 CO 0.09 0.01 -0.01 -1.64 -0.85 0.00 0.00 174.74 172.35 1x33 s MET 141 N -1.14 0.27 0.11 1.40 -1.94 -0.81 -1.67 119.30 115.52 1x33 s MET 141 Ca -0.00 -0.47 -0.26 0.00 -1.71 0.00 0.00 55.69 53.24 1x33 s MET 141 Cb -0.08 0.10 0.08 0.00 2.01 0.00 0.00 34.83 36.94 1x33 s MET 141 CO 0.01 -0.05 1.06 0.20 -0.01 0.00 0.00 175.02 176.24 1x33 s GLY 142 N -1.18 -0.21 0.12 -0.03 0.00 -0.62 -2.32 107.32 103.08 1x33 s GLY 142 Ca -0.13 0.17 0.10 0.00 0.00 0.00 0.00 44.72 44.87 1x33 s GLY 142 CO -0.01 0.60 -0.26 -1.36 0.00 0.00 0.00 173.10 172.08 1x33 s PHE 143 N -2.85 2.25 0.07 1.90 0.08 -0.94 -0.04 117.98 118.46 1x33 s PHE 143 Ca 0.15 -0.39 0.07 0.00 0.12 0.00 0.00 56.93 56.89 1x33 s PHE 143 Cb -0.00 -1.24 -0.03 0.00 -0.57 0.00 0.00 43.02 41.18 1x33 s PHE 143 CO 0.01 0.30 -0.20 -0.65 -0.10 0.00 0.00 175.22 174.58 1x33 s GLN 144 N -1.94 1.19 -0.01 0.44 -0.21 -0.82 -3.83 119.66 114.48 1x33 s GLN 144 Ca 0.13 -1.04 0.01 0.00 0.02 0.00 0.00 55.36 54.48 1x33 s GLN 144 Cb -0.10 -1.37 -0.02 0.00 1.00 0.00 0.00 33.01 32.53 1x33 s GLN 144 CO 0.05 0.33 0.02 0.66 -2.12 0.00 0.00 175.29 174.23 1x33 n TYR 145 N 1.44 0.00 -3.34 0.91 4.02 -1.26 -2.20 117.16 116.73 1x33 n TYR 145 Ca -0.19 0.00 -0.46 0.00 -0.01 0.00 0.00 57.90 57.24 1x33 n TYR 145 Cb 0.54 -0.04 -0.04 0.00 -0.02 0.00 0.00 39.34 39.78 1x33 n TYR 145 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 176.86 176.19 1x33 s ASP 146 N -2.51 6.44 0.38 7.72 2.15 -1.26 -4.75 116.67 124.84 1x33 s ASP 146 Ca -0.00 -2.27 0.03 0.00 0.43 0.00 0.00 52.55 50.73 1x33 s ASP 146 Cb 0.01 -2.19 0.15 0.00 -0.30 0.00 0.00 42.92 40.58 1x33 s ASP 146 CO 0.05 -0.70 0.90 0.24 -0.17 0.00 0.00 175.17 175.49 1x33 h MET 147 N 8.27 0.00 0.00 4.34 2.86 -1.92 0.71 114.93 129.19 1x33 h MET 147 Ca -0.09 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.55 1x33 h MET 147 Cb 1.07 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.73 1x33 h MET 147 CO 0.88 0.00 -0.46 0.00 1.06 0.00 0.00 176.91 178.39 1x33 h ALA 148 N 0.21 0.74 -2.31 6.32 0.00 -1.90 -3.47 119.26 118.86 1x33 h ALA 148 Ca 0.00 0.00 -0.52 0.00 0.00 0.00 0.00 54.91 54.39 1x33 h ALA 148 Cb 1.41 0.00 0.16 0.00 0.00 0.00 0.00 17.79 19.36 1x33 h ALA 148 CO 0.00 0.00 0.29 -0.51 0.00 0.00 0.00 179.25 179.03 1x33 s ASP 149 N -5.21 3.91 0.18 0.00 1.01 0.25 -4.97 116.67 111.84 1x33 s ASP 149 Ca 0.05 1.97 -0.30 0.00 0.71 0.00 0.00 52.55 54.98 1x33 s ASP 149 Cb 0.10 -2.54 -0.08 0.00 1.01 0.00 0.00 42.92 41.41 1x33 s ASP 149 CO 0.71 -2.44 0.96 -0.89 0.21 0.00 0.00 175.17 173.72 1x33 s THR 150 N -2.79 4.24 0.13 -1.27 2.01 -1.26 -4.99 115.64 111.70 1x33 s THR 150 Ca 0.64 2.06 -0.31 0.00 0.31 0.00 0.00 61.69 64.38 1x33 s THR 150 Cb -0.19 -4.31 -0.09 0.00 0.01 0.00 0.00 72.50 67.92 1x33 s THR 150 CO 0.56 0.41 1.49 -0.69 -0.69 0.00 0.00 174.62 175.70 1x33 s VAL 151 N -0.63 3.01 0.09 3.82 1.01 -1.26 -4.88 120.40 121.55 1x33 s VAL 151 Ca 0.44 0.69 -0.34 0.00 0.00 0.00 0.00 61.98 62.77 1x33 s VAL 151 Cb -0.25 -3.44 -0.18 0.00 0.00 0.00 0.00 36.38 32.50 1x33 s VAL 151 CO 0.31 0.05 0.81 -2.65 0.00 0.00 0.00 175.10 173.61 1x33 n PRO 152 N 4.17 0.00 -0.06 2.72 -0.02 -1.26 -4.88 135.00 135.66 1x33 n PRO 152 Ca 0.13 0.00 -0.02 0.00 -2.02 0.00 0.00 63.50 61.59 1x33 n PRO 152 Cb 0.41 -1.25 -0.16 0.00 -0.02 0.00 0.00 33.50 32.48 1x33 n PRO 152 CO 0.00 0.00 0.00 1.55 1.98 0.00 0.00 175.50 179.03 1x33 n VAL 153 N 0.81 0.91 -4.65 -1.45 3.14 -1.26 -4.94 118.33 110.89 1x33 n VAL 153 Ca 0.19 -0.73 -0.25 0.00 -2.96 0.00 0.00 64.34 60.59 1x33 n VAL 153 Cb 0.15 -0.32 -0.14 0.00 -1.06 0.00 0.00 33.84 32.47 1x33 n VAL 153 CO 0.00 0.00 0.00 -0.94 -6.46 0.00 0.00 176.83 169.43 1x33 s SER 154 N -5.18 2.27 0.66 6.55 1.04 -1.26 -5.00 113.70 112.78 1x33 s SER 154 Ca -0.09 -0.47 0.37 0.00 0.48 0.00 0.00 55.95 56.24 1x33 s SER 154 Cb 0.09 -0.20 2.04 0.00 0.10 0.00 0.00 66.02 68.05 1x33 s SER 154 CO 0.86 0.15 2.17 1.62 0.98 0.00 0.00 173.24 179.02 1x33 h VAL 155 N 4.45 0.07 1.00 5.02 3.04 -1.99 -1.69 116.25 126.15 1x33 h VAL 155 Ca -0.41 0.00 -0.05 0.00 -1.01 0.00 0.00 66.70 65.23 1x33 h VAL 155 Cb 1.16 0.86 0.01 0.00 -2.01 0.00 0.00 31.29 31.30 1x33 h VAL 155 CO 0.45 0.00 -0.49 0.78 -1.01 0.00 0.00 177.57 177.30 1x33 h ASN 156 N 0.00 -1.17 -0.91 3.17 4.21 -2.00 -2.06 115.58 116.82 1x33 h ASN 156 Ca 0.01 0.04 0.15 0.00 1.21 0.00 0.00 56.30 57.71 1x33 h ASN 156 Cb 0.31 0.31 -0.07 0.00 -1.12 0.00 0.00 38.32 37.74 1x33 h ASN 156 CO -0.00 -0.82 0.58 1.56 -1.29 0.00 0.00 177.43 177.46 1x33 h GLN 157 N -1.35 0.69 -0.32 0.81 4.20 -1.74 0.29 115.11 117.68 1x33 h GLN 157 Ca -0.14 -0.04 -0.00 0.00 0.06 0.00 0.00 58.65 58.53 1x33 h GLN 157 Cb 1.04 -0.16 -0.02 0.00 0.30 0.00 0.00 27.48 28.65 1x33 h GLN 157 CO 0.22 0.46 0.19 1.25 -0.67 0.00 0.00 178.83 180.27 1x33 h LEU 158 N 0.71 0.38 0.00 1.46 6.46 -1.22 -1.45 115.31 121.65 1x33 h LEU 158 Ca 0.46 -0.02 0.00 0.00 -0.12 0.00 0.00 57.88 58.20 1x33 h LEU 158 Cb 0.73 -0.10 0.00 0.00 -0.73 0.00 0.00 40.66 40.56 1x33 h LEU 158 CO -0.22 0.30 0.00 -1.54 -0.62 0.00 0.00 178.44 176.36 1x33 n SER 159 N -4.46 0.00 -0.11 1.25 3.41 0.09 -2.54 113.62 111.27 1x33 n SER 159 Ca 0.02 -0.90 -0.12 0.00 -0.26 0.00 0.00 58.87 57.60 1x33 n SER 159 Cb 0.09 0.00 -0.14 0.00 -0.26 0.00 0.00 64.21 63.89 1x33 n SER 159 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1x33 n ASN 160 N -0.74 0.72 -4.50 4.04 5.03 -0.55 -4.92 115.26 114.35 1x33 n ASN 160 Ca 0.07 -0.04 -0.35 0.00 0.87 0.00 0.00 54.58 55.13 1x33 n ASN 160 Cb 0.03 0.57 0.09 0.00 -1.02 0.00 0.00 39.78 39.45 1x33 n ASN 160 CO 0.00 0.00 0.00 0.18 -1.83 0.00 0.00 177.26 175.61 1x33 n LEU 161 N -2.88 1.30 -4.73 3.41 4.77 -1.05 -4.90 117.00 112.92 1x33 n LEU 161 Ca -0.36 0.55 -0.42 0.00 -0.03 0.00 0.00 56.01 55.75 1x33 n LEU 161 Cb 1.09 -1.27 -0.03 0.00 -2.33 0.00 0.00 43.42 40.89 1x33 n LEU 161 CO 0.37 -2.95 1.23 -0.60 -1.33 0.00 0.00 177.39 174.11 1x33 s ARG 162 N -3.13 4.20 -0.30 3.23 3.00 -1.25 -3.19 118.95 121.51 1x33 s ARG 162 Ca 0.65 2.40 -0.01 0.00 -1.00 0.00 0.00 55.73 57.77 1x33 s ARG 162 Cb -0.32 -3.13 0.00 0.00 0.00 0.00 0.00 34.95 31.51 1x33 s ARG 162 CO 0.58 -0.60 0.16 0.41 0.00 0.00 0.00 175.30 175.85 1x33 n GLY 163 N 3.40 0.50 3.77 8.12 0.00 -1.26 -2.22 105.19 117.50 1x33 n GLY 163 Ca 0.12 -0.56 -0.40 0.00 0.00 0.00 0.00 46.02 45.18 1x33 n GLY 163 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1x33 s TYR 164 N -2.77 3.24 -0.05 1.61 5.04 -1.19 -4.36 117.35 118.87 1x33 s TYR 164 Ca 0.08 1.52 -0.20 0.00 -2.44 0.00 0.00 57.07 56.03 1x33 s TYR 164 Cb -0.03 -3.53 0.04 0.00 0.35 0.00 0.00 41.96 38.79 1x33 s TYR 164 CO 0.10 -1.37 0.45 0.14 -1.34 0.00 0.00 175.55 173.53 1x33 s VAL 165 N -1.16 0.03 -0.28 3.14 -7.23 -0.98 -5.01 120.40 108.91 1x33 s VAL 165 Ca 0.47 -0.26 -0.17 0.00 -1.81 0.00 0.00 61.98 60.21 1x33 s VAL 165 Cb -0.37 -0.75 0.11 0.00 0.56 0.00 0.00 36.38 35.93 1x33 s VAL 165 CO 0.48 -0.14 0.81 -0.55 -0.31 0.00 0.00 175.10 175.39 1x33 s SER 166 N -1.10 -0.76 0.28 4.85 0.15 -1.26 -1.93 113.70 113.93 1x33 s SER 166 Ca -0.11 1.22 -0.06 0.00 0.70 0.00 0.00 55.95 57.70 1x33 s SER 166 Cb -0.03 1.31 -0.01 0.00 -1.71 0.00 0.00 66.02 65.57 1x33 s SER 166 CO 0.06 -0.19 0.40 -0.83 1.20 0.00 0.00 173.24 173.87 1x33 s GLY 167 N 1.44 1.17 0.16 9.45 0.00 -1.11 -4.98 107.32 113.45 1x33 s GLY 167 Ca -0.09 -1.34 -0.30 0.00 0.00 0.00 0.00 44.72 42.99 1x33 s GLY 167 CO -0.17 -0.96 1.23 1.20 0.00 0.00 0.00 173.10 174.40 1x33 s GLN 168 N -3.63 4.45 0.23 2.90 1.11 -1.26 -1.71 119.66 121.75 1x33 s GLN 168 Ca 0.30 1.91 0.06 0.00 0.01 0.00 0.00 55.36 57.64 1x33 s GLN 168 Cb 0.01 -3.25 0.35 0.00 -1.01 0.00 0.00 33.01 29.12 1x33 s GLN 168 CO 0.15 -0.17 1.01 1.33 0.01 0.00 0.00 175.29 177.62 1x33 n VAL 169 N 2.85 0.55 0.74 1.09 0.24 -0.91 -0.42 118.33 122.47 1x33 n VAL 169 Ca 0.06 0.67 0.08 0.00 -2.04 0.00 0.00 64.34 63.11 1x33 n VAL 169 Cb 0.44 -1.67 -0.01 0.00 -1.47 0.00 0.00 33.84 31.13 1x33 n VAL 169 CO 0.00 0.00 0.00 -2.67 -2.14 0.00 0.00 176.83 172.02 1x33 n TRP 170 N -1.74 0.00 -2.63 6.34 4.27 -1.26 -4.62 117.44 117.80 1x33 n TRP 170 Ca -0.00 0.00 -0.10 0.00 -3.89 0.00 0.00 57.50 53.51 1x33 n TRP 170 Cb 0.40 0.00 0.04 0.00 -1.36 0.00 0.00 31.31 30.39 1x33 n TRP 170 CO 0.00 0.00 0.00 -1.13 -2.29 0.00 0.00 177.69 174.27 1x33 n SER 171 N -0.24 0.73 0.00 -0.67 3.41 0.44 -4.69 113.62 112.59 1x33 n SER 171 Ca 0.06 -1.57 0.00 0.00 -0.26 0.00 0.00 58.87 57.10 1x33 n SER 171 Cb 0.34 -0.25 0.00 0.00 -0.26 0.00 0.00 64.21 64.04 1x33 n SER 171 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1x33 n GLY 172 N 1.67 0.75 0.50 5.00 0.00 -1.25 -4.34 105.19 107.52 1x33 n GLY 172 Ca 0.07 0.00 0.34 0.00 0.00 0.00 0.00 46.02 46.43 1x33 n GLY 172 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1x33 h SER 173 N 0.00 0.18 1.06 1.61 0.02 -1.86 0.37 113.55 114.94 1x33 h SER 173 Ca 0.00 0.05 -0.01 0.00 -0.84 0.00 0.00 61.79 60.99 1x33 h SER 173 Cb 0.00 0.03 -0.00 0.00 0.14 0.00 0.00 62.40 62.57 1x33 h SER 173 CO 0.00 -0.01 -0.07 0.00 -1.14 0.00 0.00 176.83 175.61 1x33 h ALA 174 N 1.47 1.01 0.00 3.77 0.00 -1.92 -3.09 119.26 120.49 1x33 h ALA 174 Ca 0.67 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.52 1x33 h ALA 174 Cb 2.28 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 20.06 1x33 h ALA 174 CO -0.18 0.08 0.00 0.78 0.00 0.00 0.00 179.25 179.93 1x33 h GLY 175 N 2.19 0.00 -0.88 0.00 0.00 -0.58 -3.11 103.07 100.70 1x33 h GLY 175 Ca -0.00 0.00 0.39 0.00 0.00 0.00 0.00 47.33 47.72 1x33 h GLY 175 CO 0.01 0.00 0.75 -2.00 0.00 0.00 0.00 176.54 175.30 1x33 h LEU 176 N 0.00 0.32 0.00 3.11 5.85 -1.70 0.11 115.31 122.99 1x33 h LEU 176 Ca 0.00 0.15 0.00 0.00 0.84 0.00 0.00 57.88 58.87 1x33 h LEU 176 Cb 0.10 0.13 0.00 0.00 0.37 0.00 0.00 40.66 41.26 1x33 h LEU 176 CO 0.00 -0.16 0.00 0.00 -0.34 0.00 0.00 178.44 177.94 1x33 h PHE 178 N 0.00 0.00 0.14 0.00 0.04 -1.07 -3.20 116.94 112.85 1x33 h PHE 178 Ca 0.00 0.00 -0.25 0.00 2.80 0.00 0.00 57.97 60.52 1x33 h PHE 178 Cb 0.00 0.00 0.01 0.00 2.20 0.00 0.00 35.95 38.17 1x33 h PHE 178 CO 0.00 0.67 -1.21 0.82 -0.60 0.00 0.00 178.31 177.99 1x33 h ILE 179 N 0.00 1.24 -0.11 -0.55 2.04 -1.31 -3.34 117.51 115.48 1x33 h ILE 179 Ca -0.19 -2.49 0.00 0.00 1.00 0.00 0.00 64.86 63.18 1x33 h ILE 179 Cb 1.68 2.94 0.00 0.00 -0.74 0.00 0.00 36.82 40.70 1x33 h ILE 179 CO 0.05 0.73 0.00 -0.46 0.00 0.00 0.00 178.15 178.47 1x33 n ASN 180 N -3.96 1.73 -3.01 1.72 2.04 -1.14 -4.78 115.26 107.86 1x33 n ASN 180 Ca -0.20 -1.65 -0.21 0.00 -0.44 0.00 0.00 54.58 52.08 1x33 n ASN 180 Cb 0.90 -0.07 0.02 0.00 -2.53 0.00 0.00 39.78 38.10 1x33 n ASN 180 CO 0.00 0.00 0.00 0.61 -0.44 0.00 0.00 177.26 177.43 1x33 n GLY 181 N 1.17 -0.51 2.92 4.83 0.00 -1.22 -5.00 105.19 107.39 1x33 n GLY 181 Ca 0.17 0.09 -0.18 0.00 0.00 0.00 0.00 46.02 46.11 1x33 n GLY 181 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1x33 n THR 182 N -4.18 0.00 -2.11 2.61 -2.24 -1.21 -5.01 114.28 102.14 1x33 n THR 182 Ca -0.10 -1.15 -0.42 0.00 -2.27 0.00 0.00 64.05 60.11 1x33 n THR 182 Cb 0.60 -1.06 -0.03 0.00 -2.10 0.00 0.00 70.33 67.74 1x33 n THR 182 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1x33 s ARG 183 N -4.49 4.26 0.13 -0.78 1.70 -1.26 -4.86 118.95 113.64 1x33 s ARG 183 Ca 0.50 2.12 -0.14 0.00 -0.47 0.00 0.00 55.73 57.75 1x33 s ARG 183 Cb -0.03 -3.48 -0.07 0.00 -0.57 0.00 0.00 34.95 30.80 1x33 s ARG 183 CO 0.34 -0.59 0.53 0.00 -1.08 0.00 0.00 175.30 174.49 1x33 n SER 185 N 0.93 0.00 -4.34 0.00 2.88 -1.26 -4.99 113.62 106.83 1x33 n SER 185 Ca -0.06 0.00 -0.44 0.00 -1.33 0.00 0.00 58.87 57.03 1x33 n SER 185 Cb 0.52 0.00 -0.07 0.00 -0.75 0.00 0.00 64.21 63.91 1x33 n SER 185 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 1x33 s ASP 186 N -0.58 6.09 -0.17 -3.46 2.15 -1.26 -4.93 116.67 114.52 1x33 s ASP 186 Ca 0.00 -1.53 0.13 0.00 0.43 0.00 0.00 52.55 51.58 1x33 s ASP 186 Cb 0.00 -2.17 0.67 0.00 -0.30 0.00 0.00 42.92 41.13 1x33 s ASP 186 CO 0.00 -0.71 1.54 0.35 -0.17 0.00 0.00 175.17 176.18 1x33 n THR 187 N 5.18 2.10 0.43 1.71 -2.24 -1.26 -4.40 114.28 115.80 1x33 n THR 187 Ca -0.13 -1.13 0.13 0.00 -2.27 0.00 0.00 64.05 60.65 1x33 n THR 187 Cb 0.42 -0.19 0.48 0.00 -2.10 0.00 0.00 70.33 68.95 1x33 n THR 187 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 1x33 h SER 188 N 3.44 0.00 0.02 3.42 4.64 -1.98 -2.88 113.55 120.21 1x33 h SER 188 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1x33 h SER 188 Cb 1.61 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.70 1x33 h SER 188 CO 0.35 0.00 -0.53 0.35 -0.87 0.00 0.00 176.83 176.13 1x33 n THR 189 N -2.33 0.00 -2.65 2.95 -2.24 -1.26 -4.96 114.28 103.79 1x33 n THR 189 Ca 0.03 -0.20 -0.41 0.00 -2.27 0.00 0.00 64.05 61.19 1x33 n THR 189 Cb 0.28 1.11 -0.04 0.00 -2.10 0.00 0.00 70.33 69.58 1x33 n THR 189 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1x33 s ALA 190 N -2.56 3.30 -1.08 6.98 0.00 -1.09 -3.82 121.76 123.49 1x33 s ALA 190 Ca 0.17 0.67 -0.15 0.00 0.00 0.00 0.00 51.96 52.66 1x33 s ALA 190 Cb 0.18 -3.30 0.17 0.00 0.00 0.00 0.00 23.12 20.16 1x33 s ALA 190 CO 0.61 -0.08 1.27 0.42 0.00 0.00 0.00 175.76 177.98 1x33 s ILE 191 N -0.19 5.03 -0.07 0.00 1.01 -1.26 -4.94 121.20 120.78 1x33 s ILE 191 Ca 0.47 -2.33 -0.06 0.00 0.00 0.00 0.00 60.65 58.73 1x33 s ILE 191 Cb -0.26 -4.82 0.02 0.00 0.01 0.00 0.00 42.46 37.41 1x33 s ILE 191 CO 0.32 -1.52 0.19 -0.55 0.00 0.00 0.00 174.94 173.38 1x33 s SER 192 N 2.95 -0.19 0.08 3.58 0.15 -1.26 -0.69 113.70 118.32 1x33 s SER 192 Ca 0.37 0.38 0.03 0.00 0.70 0.00 0.00 55.95 57.43 1x33 s SER 192 Cb -0.04 0.38 -0.03 0.00 -1.71 0.00 0.00 66.02 64.61 1x33 s SER 192 CO -0.04 -0.07 -0.09 0.28 1.20 0.00 0.00 173.24 174.52 1x33 s THR 193 N 0.13 0.83 0.22 6.45 -1.32 -0.82 -5.01 115.64 116.13 1x33 s THR 193 Ca -0.00 -1.53 0.11 0.00 -1.21 0.00 0.00 61.69 59.06 1x33 s THR 193 Cb -0.02 -1.21 -0.05 0.00 -1.51 0.00 0.00 72.50 69.72 1x33 s THR 193 CO 0.00 -0.54 -0.20 0.42 -2.21 0.00 0.00 174.62 172.09 1x33 s THR 194 N -2.28 2.53 -0.10 5.08 -4.23 -1.26 -1.88 115.64 113.50 1x33 s THR 194 Ca 0.02 -2.11 -0.17 0.00 -1.18 0.00 0.00 61.69 58.25 1x33 s THR 194 Cb -0.04 -2.26 -0.05 0.00 1.34 0.00 0.00 72.50 71.49 1x33 s THR 194 CO -0.00 -0.22 0.45 -0.22 -0.54 0.00 0.00 174.62 174.08 1x33 s LEU 195 N -3.01 4.31 -1.12 4.79 2.96 -0.59 -4.93 118.68 121.08 1x33 s LEU 195 Ca 0.25 0.81 -0.17 0.00 -0.22 0.00 0.00 54.13 54.80 1x33 s LEU 195 Cb -0.07 -2.65 0.13 0.00 0.50 0.00 0.00 46.19 44.11 1x33 s LEU 195 CO 0.13 0.06 1.39 1.51 -1.32 0.00 0.00 176.35 178.12 1x33 s ASP 196 N 0.32 6.86 0.49 3.68 -4.77 -1.26 -4.55 116.67 117.44 1x33 s ASP 196 Ca 0.25 -2.49 0.17 0.00 -3.30 0.00 0.00 52.55 47.17 1x33 s ASP 196 Cb -0.15 -2.44 1.21 0.00 -1.09 0.00 0.00 42.92 40.45 1x33 s ASP 196 CO 0.10 -0.97 2.07 -0.37 0.70 0.00 0.00 175.17 176.70 1x33 h VAL 197 N 5.34 0.92 -0.93 2.11 -1.51 -1.93 -3.03 116.25 117.21 1x33 h VAL 197 Ca 0.28 -0.05 0.16 0.00 -1.23 0.00 0.00 66.70 65.86 1x33 h VAL 197 Cb 0.93 0.77 -0.08 0.00 -2.13 0.00 0.00 31.29 30.78 1x33 h VAL 197 CO 1.25 0.03 0.60 0.77 -1.23 0.00 0.00 177.57 178.98 1x33 h SER 198 N 0.14 0.70 -1.36 4.19 4.64 -1.95 -2.87 113.55 117.03 1x33 h SER 198 Ca 0.14 0.05 -0.65 0.00 -0.47 0.00 0.00 61.79 60.86 1x33 h SER 198 Cb 0.37 -0.08 -0.35 0.00 -0.31 0.00 0.00 62.40 62.03 1x33 h SER 198 CO -0.02 0.33 0.15 0.29 -0.87 0.00 0.00 176.83 176.71 1x33 n LYS 199 N -4.60 3.10 -3.52 4.77 4.01 -1.14 -5.01 118.16 115.77 1x33 n LYS 199 Ca 0.19 -3.86 -0.23 0.00 -0.51 0.00 0.00 58.31 53.90 1x33 n LYS 199 Cb 0.50 -2.27 -0.01 0.00 -0.51 0.00 0.00 35.03 32.73 1x33 n LYS 199 CO 0.00 0.00 0.00 -0.51 -1.11 0.00 0.00 177.40 175.78 1x33 s LEU 200 N -3.78 4.09 0.00 -0.35 1.02 -1.09 -5.04 118.68 113.53 1x33 s LEU 200 Ca 0.54 0.37 0.00 0.00 0.02 0.00 0.00 54.13 55.06 1x33 s LEU 200 Cb 0.44 -3.21 0.00 0.00 0.02 0.00 0.00 46.19 43.44 1x33 s LEU 200 CO -0.16 -0.24 0.93 0.61 0.02 0.00 0.00 176.35 177.52 1x33 n GLY 201 N -1.66 -2.87 1.76 -3.19 0.00 -1.26 -4.82 105.19 93.15 1x33 n GLY 201 Ca -0.06 0.32 -0.10 0.00 0.00 0.00 0.00 46.02 46.18 1x33 n GLY 201 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1x33 n LYS 202 N -2.29 0.96 -0.08 1.61 5.02 -1.26 -5.07 118.16 117.05 1x33 n LYS 202 Ca 0.00 -1.49 -0.17 0.00 -2.02 0.00 0.00 58.31 54.63 1x33 n LYS 202 Cb 0.00 0.02 -0.06 0.00 -0.02 0.00 0.00 35.03 34.97 1x33 n LYS 202 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 1x33 n LYS 203 N -1.35 0.34 -3.66 1.97 3.00 -1.26 -4.96 118.16 112.24 1x33 n LYS 203 Ca 0.04 0.14 -0.38 0.00 -0.00 0.00 0.00 58.31 58.11 1x33 n LYS 203 Cb 0.28 -1.08 -0.12 0.00 0.00 0.00 0.00 35.03 34.11 1x33 n LYS 203 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.40 175.82 1x33 s TRP 204 N -2.29 3.17 0.25 5.64 0.52 -1.26 -4.42 118.94 120.56 1x33 s TRP 204 Ca -0.22 -0.52 0.07 0.00 0.02 0.00 0.00 56.10 55.45 1x33 s TRP 204 Cb 0.08 -2.34 -0.03 0.00 -1.15 0.00 0.00 33.47 30.02 1x33 s TRP 204 CO 0.28 -0.43 0.21 0.71 0.02 0.00 0.00 176.95 177.75 1x33 s TYR 205 N 1.62 3.13 0.26 -1.98 1.51 -0.37 -4.90 117.35 116.62 1x33 s TYR 205 Ca 0.05 -0.11 -0.18 0.00 -1.01 0.00 0.00 57.07 55.82 1x33 s TYR 205 Cb -0.17 -1.43 -0.09 0.00 -0.11 0.00 0.00 41.96 40.17 1x33 s TYR 205 CO 0.06 0.50 0.73 -1.25 -1.11 0.00 0.00 175.55 174.49 1x33 s PRO 206 N -3.86 4.18 -0.13 -1.71 0.04 -1.26 -1.77 135.00 130.50 1x33 s PRO 206 Ca 0.33 0.82 -0.29 0.00 0.04 0.00 0.00 61.00 61.90 1x33 s PRO 206 Cb -0.08 -2.73 -0.01 0.00 0.04 0.00 0.00 34.50 31.72 1x33 s PRO 206 CO 0.25 0.31 1.06 -0.47 0.04 0.00 0.00 177.00 178.19 1x33 s TYR 207 N -1.67 3.40 0.15 0.56 6.14 -0.38 -4.91 117.35 120.63 1x33 s TYR 207 Ca 0.47 1.48 0.10 0.00 0.64 0.00 0.00 57.07 59.77 1x33 s TYR 207 Cb -0.15 -3.26 -0.04 0.00 0.42 0.00 0.00 41.96 38.94 1x33 s TYR 207 CO 0.20 -0.51 -0.24 0.15 0.64 0.00 0.00 175.55 175.79 1x33 s LYS 208 N 2.36 1.38 0.02 4.97 -0.14 -1.26 -4.49 119.74 122.58 1x33 s LYS 208 Ca 0.49 -1.39 -0.03 0.00 -1.36 0.00 0.00 55.97 53.68 1x33 s LYS 208 Cb -0.19 -1.74 -0.04 0.00 -1.68 0.00 0.00 37.83 34.18 1x33 s LYS 208 CO 0.16 0.39 0.22 0.95 -0.76 0.00 0.00 175.35 176.31 1x33 s THR 209 N -1.40 5.38 0.18 2.17 -4.23 0.14 -4.42 115.64 113.46 1x33 s THR 209 Ca 0.15 -0.12 -0.13 0.00 -1.18 0.00 0.00 61.69 60.41 1x33 s THR 209 Cb -0.09 -3.57 0.10 0.00 1.34 0.00 0.00 72.50 70.28 1x33 s THR 209 CO 0.07 0.28 1.72 0.77 -0.54 0.00 0.00 174.62 176.92 1x33 h SER 210 N 3.64 0.04 -0.26 3.99 4.64 -1.93 -1.52 113.55 122.15 1x33 h SER 210 Ca -0.48 0.08 0.03 0.00 -0.47 0.00 0.00 61.79 60.95 1x33 h SER 210 Cb 1.18 0.10 -0.05 0.00 -0.31 0.00 0.00 62.40 63.32 1x33 h SER 210 CO 0.70 0.05 -0.35 0.00 -0.87 0.00 0.00 176.83 176.36 1x33 h ALA 211 N 1.37 -0.59 -0.68 5.18 0.00 -1.94 0.10 119.26 122.69 1x33 h ALA 211 Ca 0.24 0.00 0.01 0.00 0.00 0.00 0.00 54.91 55.16 1x33 h ALA 211 Cb 0.31 0.98 -0.03 0.00 0.00 0.00 0.00 17.79 19.04 1x33 h ALA 211 CO -0.30 -0.76 0.45 0.22 0.00 0.00 0.00 179.25 178.86 1x33 h ASP 212 N -0.24 0.78 0.39 0.00 3.58 -1.76 -2.26 116.42 116.90 1x33 h ASP 212 Ca 0.05 -0.02 -0.01 0.00 0.42 0.00 0.00 57.03 57.47 1x33 h ASP 212 Cb 0.37 -0.19 -0.01 0.00 1.72 0.00 0.00 39.33 41.22 1x33 h ASP 212 CO -0.38 0.56 -0.26 0.22 -2.88 0.00 0.00 179.24 176.50 1x33 h TYR 213 N 0.92 -0.69 -0.65 0.28 3.20 -0.54 -1.94 116.97 117.55 1x33 h TYR 213 Ca 0.25 -0.00 0.13 0.00 3.14 0.00 0.00 58.73 62.25 1x33 h TYR 213 Cb -0.09 0.25 -0.10 0.00 1.54 0.00 0.00 36.73 38.32 1x33 h TYR 213 CO -0.00 -0.40 0.09 0.00 -1.64 0.00 0.00 178.16 176.22 1x33 h ALA 214 N -0.07 0.75 -0.71 1.82 0.00 -0.54 0.13 119.26 120.64 1x33 h ALA 214 Ca -0.04 0.17 0.05 0.00 0.00 0.00 0.00 54.91 55.09 1x33 h ALA 214 Cb 0.53 0.26 -0.05 0.00 0.00 0.00 0.00 17.79 18.52 1x33 h ALA 214 CO 0.02 -0.35 0.42 1.15 0.00 0.00 0.00 179.25 180.49 1x33 h THR 215 N 0.20 1.02 -0.24 0.00 2.02 -1.13 -0.90 112.91 113.89 1x33 h THR 215 Ca 0.35 -0.27 -0.14 0.00 0.77 0.00 0.00 66.41 67.12 1x33 h THR 215 Cb 0.57 0.17 -0.00 0.00 -1.74 0.00 0.00 68.15 67.15 1x33 h THR 215 CO -0.49 0.14 -0.41 0.00 0.37 0.00 0.00 175.52 175.14 1x33 h ALA 216 N 1.34 0.37 0.00 6.16 0.00 -0.35 -2.90 119.26 123.87 1x33 h ALA 216 Ca 0.30 -0.45 0.00 0.00 0.00 0.00 0.00 54.91 54.76 1x33 h ALA 216 Cb 0.13 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.85 1x33 h ALA 216 CO -0.16 0.48 0.00 0.28 0.00 0.00 0.00 179.25 179.85 1x33 h VAL 217 N 0.41 0.00 0.00 0.00 2.07 -0.51 -2.09 116.25 116.12 1x33 h VAL 217 Ca 0.02 -0.30 -0.10 0.00 0.82 0.00 0.00 66.70 67.14 1x33 h VAL 217 Cb 1.00 1.14 -0.01 0.00 -1.52 0.00 0.00 31.29 31.90 1x33 h VAL 217 CO 0.09 0.00 -0.49 1.23 0.02 0.00 0.00 177.57 178.42 1x33 h GLY 218 N 1.71 0.00 0.23 2.17 0.00 -0.95 -3.11 103.07 103.12 1x33 h GLY 218 Ca 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.33 1x33 h GLY 218 CO 0.00 0.00 -0.01 -2.08 0.00 0.00 0.00 176.54 174.45 1x33 h VAL 219 N 0.00 1.44 -1.20 4.60 2.07 -1.43 -3.47 116.25 118.25 1x33 h VAL 219 Ca -0.00 -1.70 0.16 0.00 0.82 0.00 0.00 66.70 65.98 1x33 h VAL 219 Cb 0.87 2.53 -0.27 0.00 -1.52 0.00 0.00 31.29 32.90 1x33 h VAL 219 CO 0.06 0.42 0.41 -0.62 0.02 0.00 0.00 177.57 177.87 1x33 s ASP 220 N -5.90 -0.42 0.32 0.57 2.15 -1.11 -5.05 116.67 107.24 1x33 s ASP 220 Ca -0.16 0.63 0.08 0.00 0.43 0.00 0.00 52.55 53.52 1x33 s ASP 220 Cb -0.01 1.29 0.79 0.00 -0.30 0.00 0.00 42.92 44.69 1x33 s ASP 220 CO 0.62 -0.10 1.80 -0.37 -0.17 0.00 0.00 175.17 176.96 1x33 h VAL 221 N 5.14 0.73 0.00 1.11 -1.51 -1.81 -1.06 116.25 118.85 1x33 h VAL 221 Ca -0.23 -0.25 0.00 0.00 -1.23 0.00 0.00 66.70 64.99 1x33 h VAL 221 Cb 1.16 -0.06 0.00 0.00 -2.13 0.00 0.00 31.29 30.26 1x33 h VAL 221 CO 0.16 0.13 0.12 0.78 -1.23 0.00 0.00 177.57 177.53 1x33 h ASN 222 N 0.72 0.00 0.67 4.19 2.35 -1.93 0.49 115.58 122.07 1x33 h ASN 222 Ca 0.55 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.30 1x33 h ASN 222 Cb 0.90 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.27 1x33 h ASN 222 CO -0.32 0.00 0.00 -0.38 -1.65 0.00 0.00 177.43 175.08 1x33 n ILE 223 N -2.56 0.78 0.06 2.81 5.41 -0.40 -2.73 119.36 122.73 1x33 n ILE 223 Ca -0.02 0.18 -0.14 0.00 1.00 0.00 0.00 62.75 63.78 1x33 n ILE 223 Cb 0.16 -0.92 -0.14 0.00 -0.71 0.00 0.00 39.64 38.04 1x33 n ILE 223 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1x33 h ALA 224 N 2.55 0.30 -1.39 -1.39 0.00 -0.19 -3.37 119.26 115.78 1x33 h ALA 224 Ca 0.00 -1.05 0.45 0.00 0.00 0.00 0.00 54.91 54.31 1x33 h ALA 224 Cb 0.33 0.15 -0.12 0.00 0.00 0.00 0.00 17.79 18.15 1x33 h ALA 224 CO 0.00 1.17 0.91 1.15 0.00 0.00 0.00 179.25 182.48 1x33 h THR 225 N 0.05 0.10 -0.58 0.00 2.02 -1.63 0.75 112.91 113.61 1x33 h THR 225 Ca -0.17 -0.02 0.00 0.00 0.77 0.00 0.00 66.41 66.98 1x33 h THR 225 Cb 1.95 0.03 0.00 0.00 -1.74 0.00 0.00 68.15 68.39 1x33 h THR 225 CO 0.16 0.01 0.00 -0.81 0.37 0.00 0.00 175.52 175.25 1x33 n PRO 226 N -4.62 2.88 -0.05 6.66 -0.04 -1.26 -4.30 135.00 134.27 1x33 n PRO 226 Ca 0.38 -2.31 -0.06 0.00 -0.04 0.00 0.00 63.50 61.47 1x33 n PRO 226 Cb 1.50 -1.64 -0.07 0.00 -0.04 0.00 0.00 33.50 33.24 1x33 n PRO 226 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1x33 n LEU 227 N 1.10 1.03 -3.96 1.53 4.32 0.26 -4.73 117.00 116.55 1x33 n LEU 227 Ca 0.21 -0.02 -0.20 0.00 -0.02 0.00 0.00 56.01 55.98 1x33 n LEU 227 Cb 0.65 0.01 -0.16 0.00 -1.62 0.00 0.00 43.42 42.30 1x33 n LEU 227 CO 0.17 0.40 -0.43 0.68 -1.22 0.00 0.00 177.39 177.00 1x33 s VAL 228 N -2.24 0.67 0.11 4.08 -7.23 -1.04 -4.56 120.40 110.19 1x33 s VAL 228 Ca -0.09 -0.27 -0.18 0.00 -1.81 0.00 0.00 61.98 59.64 1x33 s VAL 228 Cb 0.03 -0.63 -0.05 0.00 0.56 0.00 0.00 36.38 36.30 1x33 s VAL 228 CO 0.36 0.23 1.63 1.55 -0.31 0.00 0.00 175.10 178.56 1x33 h PRO 229 N 6.65 0.47 0.00 4.82 0.13 -1.86 -3.44 132.00 138.76 1x33 h PRO 229 Ca -0.34 -0.10 0.00 0.00 -0.87 0.00 0.00 66.00 64.69 1x33 h PRO 229 Cb 1.17 -0.07 0.00 0.00 0.13 0.00 0.00 31.00 32.23 1x33 h PRO 229 CO 0.48 0.51 0.00 0.00 -0.23 0.00 0.00 178.00 178.76 1x33 n ALA 230 N -2.29 0.00 -3.58 -0.56 0.00 -1.26 -4.80 120.51 108.02 1x33 n ALA 230 Ca -0.02 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.31 1x33 n ALA 230 Cb 0.16 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.52 1x33 n ALA 230 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 1x33 s ARG 231 N -0.14 0.55 -0.26 0.00 3.52 -0.93 -2.86 118.95 118.83 1x33 s ARG 231 Ca 0.00 0.86 -0.15 0.00 -0.13 0.00 0.00 55.73 56.31 1x33 s ARG 231 Cb 0.00 0.14 -0.04 0.00 -1.56 0.00 0.00 34.95 33.49 1x33 s ARG 231 CO 0.00 -0.12 0.39 -1.17 -0.81 0.00 0.00 175.30 173.59 1x33 s LEU 232 N 1.01 4.06 -0.25 -0.88 0.20 0.51 -1.95 118.68 121.38 1x33 s LEU 232 Ca -0.06 0.36 -0.12 0.00 0.69 0.00 0.00 54.13 55.00 1x33 s LEU 232 Cb -0.06 -2.47 -0.05 0.00 -0.43 0.00 0.00 46.19 43.19 1x33 s LEU 232 CO -0.09 -0.18 0.22 -0.69 -0.29 0.00 0.00 176.35 175.32 1x33 s VAL 233 N 1.96 5.31 0.03 1.68 1.01 0.94 -1.75 120.40 129.58 1x33 s VAL 233 Ca 0.16 0.28 0.09 0.00 0.00 0.00 0.00 61.98 62.51 1x33 s VAL 233 Cb -0.16 -3.55 -0.03 0.00 0.00 0.00 0.00 36.38 32.65 1x33 s VAL 233 CO 0.09 0.30 -0.26 -0.63 0.00 0.00 0.00 175.10 174.60 1x33 s ILE 234 N 1.34 2.09 -0.00 2.22 1.01 -0.81 -1.58 121.20 125.46 1x33 s ILE 234 Ca 0.09 -1.31 0.03 0.00 0.00 0.00 0.00 60.65 59.46 1x33 s ILE 234 Cb -0.14 -1.78 -0.01 0.00 0.01 0.00 0.00 42.46 40.54 1x33 s ILE 234 CO 0.07 0.41 -0.08 0.00 0.00 0.00 0.00 174.94 175.34 1x33 s ALA 235 N -0.75 0.68 -0.46 9.38 0.00 -0.67 -1.12 121.76 128.82 1x33 s ALA 235 Ca 0.11 -0.37 0.04 0.00 0.00 0.00 0.00 51.96 51.74 1x33 s ALA 235 Cb -0.10 -0.16 0.17 0.00 0.00 0.00 0.00 23.12 23.02 1x33 s ALA 235 CO 0.01 0.16 0.36 -1.17 0.00 0.00 0.00 175.76 175.12 1x33 s LEU 236 N -0.26 1.94 0.00 0.00 1.98 -1.14 -0.82 118.68 120.39 1x33 s LEU 236 Ca 0.03 -3.16 0.00 0.00 -2.89 0.00 0.00 54.13 48.11 1x33 s LEU 236 Cb -0.03 -0.63 0.02 0.00 0.66 0.00 0.00 46.19 46.21 1x33 s LEU 236 CO -0.00 -0.16 0.14 0.00 -1.89 0.00 0.00 176.35 174.43 1x33 n LEU 237 N 2.75 0.00 -1.80 -0.68 -0.00 -1.21 -3.98 117.00 112.08 1x33 n LEU 237 Ca 0.27 -0.30 0.00 0.00 -0.00 0.00 0.00 56.01 55.98 1x33 n LEU 237 Cb 0.45 -0.09 0.00 0.00 -0.00 0.00 0.00 43.42 43.78 1x33 n LEU 237 CO 0.12 -0.57 -0.40 0.47 -0.00 0.00 0.00 177.39 177.01 1x33 n ASP 238 N -2.98 -7.78 0.00 1.45 8.00 -1.22 -3.42 116.55 110.60 1x33 n ASP 238 Ca 0.02 1.27 0.00 0.00 0.71 0.00 0.00 54.79 56.79 1x33 n ASP 238 Cb 0.08 -4.58 0.00 0.00 -0.02 0.00 0.00 41.12 36.60 1x33 n ASP 238 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1x33 n GLY 239 N 0.19 0.77 0.64 0.44 0.00 -0.59 -4.25 105.19 102.39 1x33 n GLY 239 Ca 0.00 -0.58 0.12 0.00 0.00 0.00 0.00 46.02 45.55 1x33 n GLY 239 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1x33 n SER 240 N 0.00 2.29 -4.15 1.61 3.41 -1.26 -4.29 113.62 111.22 1x33 n SER 240 Ca 0.00 -1.65 -0.15 0.00 -0.26 0.00 0.00 58.87 56.82 1x33 n SER 240 Cb 0.00 0.28 -0.11 0.00 -0.26 0.00 0.00 64.21 64.12 1x33 n SER 240 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1x33 s SER 241 N -2.30 1.36 0.00 4.04 0.15 -1.26 -5.03 113.70 110.67 1x33 s SER 241 Ca 0.23 -0.72 0.08 0.00 0.70 0.00 0.00 55.95 56.24 1x33 s SER 241 Cb 0.19 0.00 0.33 0.00 -1.71 0.00 0.00 66.02 64.84 1x33 s SER 241 CO 0.47 -0.22 1.24 -1.20 1.20 0.00 0.00 173.24 174.73 1x33 n SER 242 N 0.89 0.60 -4.13 5.45 7.64 -1.26 -2.70 113.62 120.11 1x33 n SER 242 Ca -0.18 -1.87 -0.11 0.00 1.01 0.00 0.00 58.87 57.71 1x33 n SER 242 Cb 0.56 -0.07 -0.10 0.00 -1.01 0.00 0.00 64.21 63.59 1x33 n SER 242 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 1x33 s THR 243 N -1.87 0.64 0.64 0.44 -1.32 -1.26 -4.94 115.64 107.97 1x33 s THR 243 Ca 0.13 -1.64 -0.17 0.00 -1.21 0.00 0.00 61.69 58.80 1x33 s THR 243 Cb 0.07 -1.31 -0.01 0.00 -1.51 0.00 0.00 72.50 69.74 1x33 s THR 243 CO 0.10 -0.70 1.21 0.00 -2.21 0.00 0.00 174.62 173.02 1x33 s ALA 244 N -2.84 2.41 -0.21 11.08 0.00 -1.26 -4.53 121.76 126.41 1x33 s ALA 244 Ca 0.04 0.96 -0.04 0.00 0.00 0.00 0.00 51.96 52.92 1x33 s ALA 244 Cb -0.00 -3.45 0.11 0.00 0.00 0.00 0.00 23.12 19.77 1x33 s ALA 244 CO -0.03 -1.40 0.29 0.14 0.00 0.00 0.00 175.76 174.76 1x33 s VAL 245 N -1.74 -0.46 -0.47 0.00 -7.23 -1.24 -4.81 120.40 104.44 1x33 s VAL 245 Ca 0.76 -0.04 -0.43 0.00 -1.81 0.00 0.00 61.98 60.46 1x33 s VAL 245 Cb -0.30 -0.70 -0.18 0.00 0.56 0.00 0.00 36.38 35.76 1x33 s VAL 245 CO 0.38 -0.12 2.03 0.00 -0.31 0.00 0.00 175.10 177.07 1x33 n ALA 246 N 5.34 0.00 -0.07 1.32 0.00 -1.26 -2.21 120.51 123.62 1x33 n ALA 246 Ca -0.05 0.23 -0.13 0.00 0.00 0.00 0.00 53.44 53.49 1x33 n ALA 246 Cb 0.50 -2.11 -0.06 0.00 0.00 0.00 0.00 19.45 17.78 1x33 n ALA 246 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1x33 n ALA 247 N 7.01 1.83 -3.61 0.00 0.00 -0.73 -4.51 120.51 120.49 1x33 n ALA 247 Ca 0.48 -0.62 0.09 0.00 0.00 0.00 0.00 53.44 53.39 1x33 n ALA 247 Cb -0.01 0.23 0.01 0.00 0.00 0.00 0.00 19.45 19.68 1x33 n ALA 247 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1x33 n GLY 248 N 2.47 0.53 3.07 0.00 0.00 -1.20 -0.33 105.19 109.72 1x33 n GLY 248 Ca -0.28 -1.00 -0.16 0.00 0.00 0.00 0.00 46.02 44.58 1x33 n GLY 248 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1x33 s ARG 249 N -2.02 0.66 -0.33 1.61 3.00 0.25 -0.07 118.95 122.05 1x33 s ARG 249 Ca 0.18 -0.61 -0.10 0.00 0.00 0.00 0.00 55.73 55.19 1x33 s ARG 249 Cb -0.01 -0.58 -0.00 0.00 0.00 0.00 0.00 34.95 34.36 1x33 s ARG 249 CO 0.01 0.14 0.18 0.42 0.00 0.00 0.00 175.30 176.04 1x33 s ILE 250 N -0.85 4.71 -0.00 1.52 1.01 0.18 -0.41 121.20 127.35 1x33 s ILE 250 Ca -0.02 -0.48 -0.02 0.00 0.00 0.00 0.00 60.65 60.12 1x33 s ILE 250 Cb -0.07 -3.45 -0.04 0.00 0.01 0.00 0.00 42.46 38.91 1x33 s ILE 250 CO 0.01 -0.01 0.18 -0.31 0.00 0.00 0.00 174.94 174.81 1x33 s TYR 251 N 1.62 3.54 -0.16 3.97 1.51 0.94 -0.67 117.35 128.09 1x33 s TYR 251 Ca 0.04 0.34 -0.03 0.00 -1.01 0.00 0.00 57.07 56.42 1x33 s TYR 251 Cb -0.18 -1.82 -0.02 0.00 -0.11 0.00 0.00 41.96 39.84 1x33 s TYR 251 CO 0.07 0.64 -0.07 0.00 -1.11 0.00 0.00 175.55 175.08 1x33 s THR 253 N 0.60 3.38 0.24 0.00 2.01 0.26 -2.76 115.64 119.38 1x33 s THR 253 Ca -0.04 -1.58 0.10 0.00 0.31 0.00 0.00 61.69 60.48 1x33 s THR 253 Cb -0.15 -3.08 -0.05 0.00 0.01 0.00 0.00 72.50 69.23 1x33 s THR 253 CO 0.03 -0.37 -0.19 -0.72 -0.69 0.00 0.00 174.62 172.68 1x33 s TYR 254 N 1.26 2.09 -0.13 4.92 -0.85 -0.46 -2.15 117.35 122.03 1x33 s TYR 254 Ca 0.01 -0.41 -0.01 0.00 -0.52 0.00 0.00 57.07 56.14 1x33 s TYR 254 Cb -0.21 -0.94 0.03 0.00 0.38 0.00 0.00 41.96 41.22 1x33 s TYR 254 CO -0.01 0.57 -0.06 0.99 -1.52 0.00 0.00 175.55 175.52 1x33 s THR 255 N -2.54 1.01 0.10 -3.49 2.01 -0.48 -1.29 115.64 110.95 1x33 s THR 255 Ca 0.26 -0.38 0.05 0.00 0.31 0.00 0.00 61.69 61.94 1x33 s THR 255 Cb -0.04 -1.09 -0.04 0.00 0.01 0.00 0.00 72.50 71.34 1x33 s THR 255 CO 0.12 0.28 -0.13 -0.51 -0.69 0.00 0.00 174.62 173.69 1x33 s ILE 256 N 1.70 1.16 -0.24 1.82 2.07 0.02 -1.59 121.20 126.15 1x33 s ILE 256 Ca 0.04 -1.61 -0.02 0.00 -1.41 0.00 0.00 60.65 57.65 1x33 s ILE 256 Cb -0.13 -1.38 0.02 0.00 0.13 0.00 0.00 42.46 41.10 1x33 s ILE 256 CO -0.08 -0.42 -0.07 -1.10 -1.91 0.00 0.00 174.94 171.36 1x33 s GLN 257 N -2.51 2.99 -0.15 3.50 -0.21 -0.99 -1.58 119.66 120.70 1x33 s GLN 257 Ca 0.05 -0.87 -0.06 0.00 0.02 0.00 0.00 55.36 54.50 1x33 s GLN 257 Cb -0.05 -2.95 -0.04 0.00 1.00 0.00 0.00 33.01 30.97 1x33 s GLN 257 CO 0.02 -0.33 0.06 -1.64 -2.12 0.00 0.00 175.29 171.28 1x33 s MET 258 N 1.36 3.62 0.26 2.91 -1.94 -0.52 -1.72 119.30 123.28 1x33 s MET 258 Ca 0.02 -0.32 0.02 0.00 -1.71 0.00 0.00 55.69 53.70 1x33 s MET 258 Cb -0.16 -3.10 -0.05 0.00 2.01 0.00 0.00 34.83 33.53 1x33 s MET 258 CO -0.05 0.48 0.06 0.96 -0.01 0.00 0.00 175.02 176.46 1x33 s ILE 259 N -0.21 0.75 -0.60 2.53 -4.36 -0.78 -2.04 121.20 116.49 1x33 s ILE 259 Ca 0.08 -2.00 -0.20 0.00 -0.26 0.00 0.00 60.65 58.26 1x33 s ILE 259 Cb -0.12 -2.56 0.03 0.00 1.25 0.00 0.00 42.46 41.06 1x33 s ILE 259 CO 0.01 -0.10 0.64 -1.84 0.24 0.00 0.00 174.94 173.89 1x33 n GLU 260 N -0.47 -1.81 -0.95 0.37 0.28 -1.26 -2.29 120.64 114.51 1x33 n GLU 260 Ca -0.02 1.32 -0.35 0.00 -0.16 0.00 0.00 57.16 57.95 1x33 n GLU 260 Cb 0.66 -2.99 0.08 0.00 1.43 0.00 0.00 31.44 30.61 1x33 n GLU 260 CO 0.00 0.00 0.00 -2.30 -0.16 0.00 0.00 177.13 174.67 1x33 n PRO 261 N -1.14 -0.10 -3.46 3.44 -0.02 -1.26 -0.78 135.00 131.68 1x33 n PRO 261 Ca -0.13 -0.01 -0.12 0.00 -2.02 0.00 0.00 63.50 61.23 1x33 n PRO 261 Cb 0.64 -1.46 -0.02 0.00 -0.02 0.00 0.00 33.50 32.64 1x33 n PRO 261 CO 0.00 0.00 0.00 -0.08 1.98 0.00 0.00 175.50 177.40 1x33 s THR 262 N -2.17 0.00 0.13 3.45 -1.32 0.32 -4.57 115.64 111.49 1x33 s THR 262 Ca 0.51 0.00 -0.30 0.00 -1.21 0.00 0.00 61.69 60.68 1x33 s THR 262 Cb -0.22 -1.00 -0.07 0.00 -1.51 0.00 0.00 72.50 69.69 1x33 s THR 262 CO 0.73 0.00 1.26 0.00 -2.21 0.00 0.00 174.62 174.40 1x33 s ALA 263 N -3.28 3.47 0.29 11.08 0.00 -1.26 -4.47 121.76 127.58 1x33 s ALA 263 Ca 0.01 0.98 0.02 0.00 0.00 0.00 0.00 51.96 52.97 1x33 s ALA 263 Cb -0.01 -3.46 0.70 0.00 0.00 0.00 0.00 23.12 20.35 1x33 s ALA 263 CO -0.10 -0.47 1.66 0.66 0.00 0.00 0.00 175.76 177.51 1x33 h SER 264 N 6.11 0.10 0.37 0.00 4.64 -1.87 -1.64 113.55 121.26 1x33 h SER 264 Ca -0.43 0.18 0.00 0.00 -0.47 0.00 0.00 61.79 61.07 1x33 h SER 264 Cb 1.21 0.22 0.00 0.00 -0.31 0.00 0.00 62.40 63.53 1x33 h SER 264 CO 0.80 -0.11 0.00 0.00 -0.87 0.00 0.00 176.83 176.65 1x33 h ALA 265 N 1.75 1.00 0.00 5.18 0.00 -1.91 -2.97 119.26 122.31 1x33 h ALA 265 Ca 0.55 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.46 1x33 h ALA 265 Cb 1.08 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.87 1x33 h ALA 265 CO -0.61 0.00 -1.06 1.28 0.00 0.00 0.00 179.25 178.87 1x33 n LEU 266 N -3.08 0.65 -4.63 0.00 4.77 -0.62 -4.92 117.00 109.17 1x33 n LEU 266 Ca -0.02 0.15 -0.43 0.00 -0.03 0.00 0.00 56.01 55.69 1x33 n LEU 266 Cb 0.16 -0.09 -0.02 0.00 -2.33 0.00 0.00 43.42 41.13 1x33 n LEU 266 CO 0.23 -0.06 1.31 0.21 -1.33 0.00 0.00 177.39 177.74 1x33 s ASN 267 N -4.58 6.47 0.00 -1.43 3.84 -1.12 -5.07 114.94 113.05 1x33 s ASN 267 Ca 0.01 1.56 0.05 0.00 0.21 0.00 0.00 52.86 54.69 1x33 s ASN 267 Cb 0.12 -2.53 0.04 0.00 -0.55 0.00 0.00 41.25 38.33 1x33 s ASN 267 CO 0.80 -1.19 0.65 0.59 -2.79 0.00 0.00 177.10 175.15