#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3g6e s GLU 96 N 0.00 1.56 -0.04 -2.82 -1.05 -1.01 -4.94 118.70 110.40 3g6e s GLU 96 Ca 0.00 -1.73 -0.25 0.00 -0.15 0.00 0.00 54.97 52.84 3g6e s GLU 96 Cb 0.00 -1.47 -0.04 0.00 -0.44 0.00 0.00 34.13 32.18 3g6e s GLU 96 CO 0.00 0.23 0.78 -0.51 0.95 0.00 0.00 175.26 176.71 3g6e s LEU 97 N -3.45 4.34 0.00 1.83 1.43 -1.26 -1.12 118.68 120.46 3g6e s LEU 97 Ca 0.28 1.34 0.01 0.00 -1.03 0.00 0.00 54.13 54.73 3g6e s LEU 97 Cb -0.02 -3.23 -0.00 0.00 0.03 0.00 0.00 46.19 42.96 3g6e s LEU 97 CO 0.12 -0.15 -0.04 -1.10 0.23 0.00 0.00 176.35 175.41 3g6e s GLN 98 N 0.81 0.29 0.32 1.70 -0.21 -0.44 -4.96 119.66 117.18 3g6e s GLN 98 Ca 0.42 -0.18 -0.26 0.00 0.02 0.00 0.00 55.36 55.35 3g6e s GLN 98 Cb -0.19 -0.25 -0.10 0.00 1.00 0.00 0.00 33.01 33.47 3g6e s GLN 98 CO 0.21 0.07 0.97 0.00 -2.12 0.00 0.00 175.29 174.42 3g6e s ALA 99 N -0.22 3.22 0.51 6.09 0.00 -1.26 -1.48 121.76 128.62 3g6e s ALA 99 Ca -0.00 0.58 -0.17 0.00 0.00 0.00 0.00 51.96 52.37 3g6e s ALA 99 Cb -0.02 -3.21 -0.08 0.00 0.00 0.00 0.00 23.12 19.81 3g6e s ALA 99 CO -0.00 0.11 0.99 1.03 0.00 0.00 0.00 175.76 177.89 3g6e s ARG 100 N -1.99 3.89 0.71 0.00 0.52 -0.67 -4.93 118.95 116.48 3g6e s ARG 100 Ca 0.50 1.02 0.00 0.00 -0.52 0.00 0.00 55.73 56.73 3g6e s ARG 100 Cb -0.21 -2.13 0.00 0.00 0.52 0.00 0.00 34.95 33.14 3g6e s ARG 100 CO 0.26 -0.32 0.00 0.41 0.02 0.00 0.00 175.30 175.67 3g6e n GLY 101 N -1.34 -2.08 2.78 -3.53 0.00 -1.26 -4.58 105.19 95.18 3g6e n GLY 101 Ca 0.07 -1.43 -0.42 0.00 0.00 0.00 0.00 46.02 44.24 3g6e n GLY 101 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3g6e n LEU 102 N 0.00 6.89 -0.26 0.99 4.77 -1.26 -4.82 117.00 123.31 3g6e n LEU 102 Ca 0.00 -4.55 -0.02 0.00 -0.03 0.00 0.00 56.01 51.42 3g6e n LEU 102 Cb 0.02 -1.51 0.17 0.00 -2.33 0.00 0.00 43.42 39.78 3g6e n LEU 102 CO 0.00 1.40 1.20 0.74 -1.33 0.00 0.00 177.39 179.40 3g6e h THR 103 N 3.68 1.23 -0.10 -5.08 2.02 -1.89 -2.81 112.91 109.95 3g6e h THR 103 Ca 0.47 -0.51 0.00 0.00 0.77 0.00 0.00 66.41 67.14 3g6e h THR 103 Cb 0.59 0.11 0.00 0.00 -1.74 0.00 0.00 68.15 67.11 3g6e h THR 103 CO 1.68 0.24 0.00 -0.62 0.37 0.00 0.00 175.52 177.19 3g6e n GLU 104 N -4.37 1.33 -2.29 6.66 -0.58 -1.26 -4.91 120.64 115.22 3g6e n GLU 104 Ca 0.09 -0.50 -0.41 0.00 -0.42 0.00 0.00 57.16 55.91 3g6e n GLU 104 Cb 0.07 -1.25 -0.03 0.00 -0.57 0.00 0.00 31.44 29.67 3g6e n GLU 104 CO 0.00 0.00 0.00 0.21 -0.48 0.00 0.00 177.13 176.86 3g6e s LYS 105 N -1.86 4.43 -0.02 3.49 2.20 -1.06 -5.05 119.74 121.86 3g6e s LYS 105 Ca 0.22 1.96 0.08 0.00 -0.36 0.00 0.00 55.97 57.87 3g6e s LYS 105 Cb 0.11 -3.23 -0.02 0.00 -1.51 0.00 0.00 37.83 33.18 3g6e s LYS 105 CO 0.17 -0.20 -0.26 0.99 -0.36 0.00 0.00 175.35 175.69 3g6e s THR 106 N 0.20 2.04 0.68 3.43 2.01 -1.26 -5.05 115.64 117.69 3g6e s THR 106 Ca 0.56 -1.10 -0.11 0.00 0.31 0.00 0.00 61.69 61.34 3g6e s THR 106 Cb -0.34 -1.69 -0.00 0.00 0.01 0.00 0.00 72.50 70.47 3g6e s THR 106 CO 0.36 0.58 1.07 -2.16 -0.69 0.00 0.00 174.62 173.78 3g6e s PRO 107 N -0.59 3.07 -0.46 4.92 0.04 -1.26 -5.03 135.00 135.69 3g6e s PRO 107 Ca 0.10 0.65 -0.13 0.00 0.04 0.00 0.00 61.00 61.65 3g6e s PRO 107 Cb -0.10 -2.03 0.08 0.00 0.04 0.00 0.00 34.50 32.49 3g6e s PRO 107 CO -0.01 -0.93 0.36 0.16 0.04 0.00 0.00 177.00 176.62 3g6e s ASP 108 N -4.17 5.99 0.09 6.66 -4.77 -1.21 -5.05 116.67 114.21 3g6e s ASP 108 Ca 0.57 -1.40 0.03 0.00 -3.30 0.00 0.00 52.55 48.46 3g6e s ASP 108 Cb -0.12 -2.12 -0.04 0.00 -1.09 0.00 0.00 42.92 39.55 3g6e s ASP 108 CO 0.53 -0.62 0.08 -0.76 0.70 0.00 0.00 175.17 175.11 3g6e s LEU 109 N 1.57 3.79 0.87 2.11 1.43 -1.26 -4.90 118.68 122.29 3g6e s LEU 109 Ca 0.04 -0.03 -0.11 0.00 -1.03 0.00 0.00 54.13 52.99 3g6e s LEU 109 Cb -0.24 -2.46 0.11 0.00 0.03 0.00 0.00 46.19 43.63 3g6e s LEU 109 CO 0.05 0.16 1.09 -0.94 0.23 0.00 0.00 176.35 176.94 3g6e s SER 110 N -2.48 3.69 0.39 2.29 1.04 -1.26 -4.78 113.70 112.59 3g6e s SER 110 Ca 0.29 1.60 0.10 0.00 0.48 0.00 0.00 55.95 58.43 3g6e s SER 110 Cb -0.12 -2.28 0.89 0.00 0.10 0.00 0.00 66.02 64.61 3g6e s SER 110 CO 0.22 -2.52 1.93 0.44 0.98 0.00 0.00 173.24 174.30 3g6e h ASP 111 N -1.46 0.54 0.21 7.02 3.32 -1.99 -1.94 116.42 122.11 3g6e h ASP 111 Ca -0.48 0.02 -0.24 0.00 0.02 0.00 0.00 57.03 56.35 3g6e h ASP 111 Cb 1.27 -0.09 0.01 0.00 0.22 0.00 0.00 39.33 40.73 3g6e h ASP 111 CO 0.53 0.31 -0.96 -0.08 -1.72 0.00 0.00 179.24 177.32 3g6e h GLU 112 N 0.59 0.52 0.00 3.56 4.57 -1.99 -2.49 114.58 119.35 3g6e h GLU 112 Ca 0.35 -0.55 -0.11 0.00 -1.18 0.00 0.00 59.36 57.87 3g6e h GLU 112 Cb 0.55 0.15 -0.02 0.00 -0.16 0.00 0.00 28.75 29.28 3g6e h GLU 112 CO -0.12 1.18 -0.50 -0.44 -1.18 0.00 0.00 179.01 177.95 3g6e h ASP 113 N 0.30 0.00 1.21 1.04 5.19 -1.79 -1.92 116.42 120.45 3g6e h ASP 113 Ca -0.09 0.00 -0.16 0.00 -0.62 0.00 0.00 57.03 56.15 3g6e h ASP 113 Cb 1.60 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 41.09 3g6e h ASP 113 CO 0.18 0.50 -0.80 0.00 -3.12 0.00 0.00 179.24 176.00 3g6e h ALA 114 N 1.50 0.52 -0.13 3.45 0.00 -1.38 -2.08 119.26 121.14 3g6e h ALA 114 Ca -0.01 -0.71 -0.13 0.00 0.00 0.00 0.00 54.91 54.06 3g6e h ALA 114 Cb 1.02 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.73 3g6e h ALA 114 CO 0.07 0.96 -0.44 -0.09 0.00 0.00 0.00 179.25 179.74 3g6e h ARG 115 N 0.00 0.53 -0.01 0.00 2.43 -1.24 -2.45 114.38 113.64 3g6e h ARG 115 Ca -0.02 -0.39 -0.12 0.00 -0.81 0.00 0.00 59.98 58.63 3g6e h ARG 115 Cb 1.59 0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 31.19 3g6e h ARG 115 CO 0.10 1.02 -0.56 -0.07 -1.51 0.00 0.00 179.97 178.94 3g6e h LEU 116 N 0.15 0.04 -0.30 3.80 3.38 -1.39 -1.89 115.31 119.10 3g6e h LEU 116 Ca -0.02 -0.02 -0.18 0.00 0.09 0.00 0.00 57.88 57.75 3g6e h LEU 116 Cb 1.06 -0.01 -0.00 0.00 0.09 0.00 0.00 40.66 41.80 3g6e h LEU 116 CO 0.09 0.59 -0.52 0.25 0.09 0.00 0.00 178.44 178.95 3g6e h LEU 117 N 0.03 0.98 -1.20 1.67 5.85 -1.38 -1.74 115.31 119.52 3g6e h LEU 117 Ca -0.00 -0.52 -0.07 0.00 0.84 0.00 0.00 57.88 58.12 3g6e h LEU 117 Cb 1.01 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 41.75 3g6e h LEU 117 CO 0.08 1.32 -0.34 0.74 -0.34 0.00 0.00 178.44 179.89 3g6e h THR 118 N 0.68 0.97 -0.06 1.05 2.02 -1.31 -2.39 112.91 113.87 3g6e h THR 118 Ca 0.02 -1.31 -0.08 0.00 0.77 0.00 0.00 66.41 65.82 3g6e h THR 118 Cb 1.13 1.77 0.00 0.00 -1.74 0.00 0.00 68.15 69.31 3g6e h THR 118 CO 0.12 0.34 -0.26 -0.61 0.37 0.00 0.00 175.52 175.47 3g6e h GLN 119 N 0.00 0.28 -0.88 6.66 4.15 -1.04 -2.07 115.11 122.21 3g6e h GLN 119 Ca -0.00 -0.22 0.04 0.00 0.77 0.00 0.00 58.65 59.23 3g6e h GLN 119 Cb 0.74 0.04 -0.05 0.00 0.21 0.00 0.00 27.48 28.42 3g6e h GLN 119 CO 0.04 0.86 0.58 -0.09 -1.93 0.00 0.00 178.83 178.30 3g6e h ARG 120 N -0.23 1.04 -0.05 1.69 2.43 -1.17 0.13 114.38 118.22 3g6e h ARG 120 Ca -0.02 -0.06 -0.16 0.00 -0.81 0.00 0.00 59.98 58.94 3g6e h ARG 120 Cb 0.91 -0.24 -0.01 0.00 -0.42 0.00 0.00 29.97 30.21 3g6e h ARG 120 CO 0.05 0.69 -0.66 1.25 -1.51 0.00 0.00 179.97 179.80 3g6e h HIS 121 N 1.08 0.28 0.00 2.20 2.76 -1.41 -1.72 115.15 118.34 3g6e h HIS 121 Ca 0.36 -0.12 -0.01 0.00 -2.20 0.00 0.00 60.37 58.40 3g6e h HIS 121 Cb 0.06 -0.05 -0.00 0.00 1.55 0.00 0.00 27.41 28.98 3g6e h HIS 121 CO -0.00 0.81 -0.06 -0.09 -1.30 0.00 0.00 177.93 177.29 3g6e h ARG 122 N 0.15 0.00 0.17 5.26 2.43 -0.58 -3.38 114.38 118.43 3g6e h ARG 122 Ca -0.01 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.15 3g6e h ARG 122 Cb 1.19 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.74 3g6e h ARG 122 CO 0.10 0.82 -0.08 0.28 -1.51 0.00 0.00 179.97 179.58 3g6e h VAL 123 N -1.00 0.94 -0.15 0.20 2.07 -0.88 -3.49 116.25 113.94 3g6e h VAL 123 Ca -0.01 -0.52 0.00 0.00 0.82 0.00 0.00 66.70 66.98 3g6e h VAL 123 Cb 0.83 1.26 0.00 0.00 -1.52 0.00 0.00 31.29 31.86 3g6e h VAL 123 CO -0.01 0.12 0.00 0.61 0.02 0.00 0.00 177.57 178.31 3g6e n GLY 124 N -0.49 0.36 3.46 2.17 0.00 -0.65 -4.96 105.19 105.08 3g6e n GLY 124 Ca -0.09 -0.85 -0.10 0.00 0.00 0.00 0.00 46.02 44.97 3g6e n GLY 124 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3g6e s LYS 125 N 0.00 1.06 0.91 1.61 -2.85 -1.26 -5.03 119.74 114.18 3g6e s LYS 125 Ca 0.00 -0.39 -0.12 0.00 -1.00 0.00 0.00 55.97 54.46 3g6e s LYS 125 Cb 0.00 0.49 0.13 0.00 -2.06 0.00 0.00 37.83 36.40 3g6e s LYS 125 CO 0.00 -0.47 1.12 -1.25 0.10 0.00 0.00 175.35 174.86 3g6e s PRO 126 N -3.45 1.18 0.41 1.78 0.04 -1.26 -4.95 135.00 128.75 3g6e s PRO 126 Ca 0.03 0.41 0.09 0.00 0.04 0.00 0.00 61.00 61.56 3g6e s PRO 126 Cb -0.01 -1.83 0.89 0.00 0.04 0.00 0.00 34.50 33.59 3g6e s PRO 126 CO -0.11 -2.19 2.02 1.96 0.04 0.00 0.00 177.00 178.72 3g6e h GLN 127 N -1.50 0.53 -6.13 4.56 4.20 -2.02 -3.47 115.11 111.28 3g6e h GLN 127 Ca -0.51 -0.03 -0.45 0.00 0.06 0.00 0.00 58.65 57.73 3g6e h GLN 127 Cb 1.32 -0.12 0.03 0.00 0.30 0.00 0.00 27.48 29.01 3g6e h GLN 127 CO 0.60 0.35 -0.73 1.19 -0.67 0.00 0.00 178.83 179.57 3g6e n PHE 128 N -4.47 -2.51 -3.02 2.96 0.99 -1.26 -5.00 117.46 105.15 3g6e n PHE 128 Ca 0.06 0.95 -0.30 0.00 -0.00 0.00 0.00 57.45 58.15 3g6e n PHE 128 Cb 0.17 -4.39 -0.04 0.00 -1.00 0.00 0.00 39.48 34.22 3g6e n PHE 128 CO 0.00 0.00 0.00 -0.80 -0.00 0.00 0.00 176.76 175.96 3g6e s ASN 129 N -3.36 6.53 0.53 4.37 0.01 -1.26 -4.32 114.94 117.44 3g6e s ASN 129 Ca 0.61 1.04 -0.23 0.00 -0.71 0.00 0.00 52.86 53.58 3g6e s ASN 129 Cb -0.29 -2.28 -0.06 0.00 0.41 0.00 0.00 41.25 39.03 3g6e s ASN 129 CO 0.79 -0.32 1.38 -0.60 -1.51 0.00 0.00 177.10 176.85 3g6e s ARG 130 N -3.64 3.25 0.24 -0.60 3.52 -0.63 -4.91 118.95 116.18 3g6e s ARG 130 Ca 0.50 2.30 -0.31 0.00 -0.13 0.00 0.00 55.73 58.08 3g6e s ARG 130 Cb -0.10 -2.35 -0.12 0.00 -1.56 0.00 0.00 34.95 30.81 3g6e s ARG 130 CO 0.29 -1.12 1.60 0.00 -0.81 0.00 0.00 175.30 175.26 3g6e n GLN 131 N -0.84 2.54 -2.12 5.12 10.64 -1.26 -2.51 117.38 128.95 3g6e n GLN 131 Ca 0.09 0.91 -0.20 0.00 -1.83 0.00 0.00 57.00 55.97 3g6e n GLN 131 Cb 0.44 -2.69 -0.04 0.00 -0.86 0.00 0.00 30.24 27.09 3g6e n GLN 131 CO 0.00 0.00 0.00 -0.25 -1.83 0.00 0.00 177.06 174.98 3g6e n ASP 132 N 2.89 -5.63 0.13 2.61 8.00 -1.26 -4.86 116.55 118.42 3g6e n ASP 132 Ca 0.12 0.17 0.02 0.00 0.71 0.00 0.00 54.79 55.82 3g6e n ASP 132 Cb 0.34 -4.79 0.38 0.00 -0.02 0.00 0.00 41.12 37.03 3g6e n ASP 132 CO 0.00 0.00 0.00 1.12 -0.39 0.00 0.00 177.20 177.93 3g6e h HIS 133 N 0.00 0.22 0.00 1.24 2.07 -1.75 -2.13 115.15 114.81 3g6e h HIS 133 Ca -0.46 -0.03 0.00 0.00 -2.85 0.00 0.00 60.37 57.03 3g6e h HIS 133 Cb 1.35 -0.06 0.00 0.00 2.57 0.00 0.00 27.41 31.26 3g6e h HIS 133 CO 0.57 0.38 0.00 -2.39 -3.07 0.00 0.00 177.93 173.42 3g6e n HIS 134 N -4.25 0.86 0.08 6.12 1.44 -1.26 -3.42 115.22 114.79 3g6e n HIS 134 Ca -0.01 0.27 0.09 0.00 -2.01 0.00 0.00 57.72 56.07 3g6e n HIS 134 Cb 0.29 -0.94 -0.03 0.00 0.12 0.00 0.00 29.99 29.43 3g6e n HIS 134 CO 0.00 0.00 0.00 1.63 -2.81 0.00 0.00 176.34 175.16 3g6e n LYS 135 N -2.23 0.61 -3.70 -1.40 5.02 -0.80 -4.89 118.16 110.77 3g6e n LYS 135 Ca 0.05 0.11 -0.16 0.00 -2.02 0.00 0.00 58.31 56.29 3g6e n LYS 135 Cb 0.37 -1.80 -0.15 0.00 -0.02 0.00 0.00 35.03 33.43 3g6e n LYS 135 CO 0.00 0.00 0.00 0.21 -0.52 0.00 0.00 177.40 177.09 3g6e s LYS 136 N -3.29 0.05 0.51 1.97 2.47 -1.20 -5.04 119.74 115.21 3g6e s LYS 136 Ca -0.02 0.46 0.17 0.00 -1.56 0.00 0.00 55.97 55.03 3g6e s LYS 136 Cb 0.10 -0.25 1.27 0.00 -1.46 0.00 0.00 37.83 37.49 3g6e s LYS 136 CO 0.80 -0.25 2.13 0.87 0.16 0.00 0.00 175.35 179.06 3g6e h LYS 137 N 7.90 0.00 0.00 4.03 1.57 -1.90 -2.09 116.57 126.07 3g6e h LYS 137 Ca -0.26 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.52 3g6e h LYS 137 Cb 1.13 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.44 3g6e h LYS 137 CO 0.26 0.04 0.00 2.89 -0.57 0.00 0.00 179.45 182.07 3g6e n ARG 138 N -4.41 0.17 -3.46 3.15 1.85 -1.26 -4.52 116.66 108.18 3g6e n ARG 138 Ca -0.03 0.27 -0.43 0.00 -1.00 0.00 0.00 57.85 56.66 3g6e n ARG 138 Cb 0.12 -1.76 -0.10 0.00 -1.05 0.00 0.00 32.46 29.68 3g6e n ARG 138 CO 0.00 0.00 0.00 0.08 -0.01 0.00 0.00 177.63 177.70 3g6e s VAL 139 N -3.16 5.26 0.84 8.89 1.01 -0.79 -5.07 120.40 127.37 3g6e s VAL 139 Ca 0.08 -0.64 -0.12 0.00 0.00 0.00 0.00 61.98 61.31 3g6e s VAL 139 Cb 0.12 -3.92 0.09 0.00 0.00 0.00 0.00 36.38 32.67 3g6e s VAL 139 CO 0.47 -0.29 1.13 -0.94 0.00 0.00 0.00 175.10 175.47 3g6e s SER 140 N 1.68 4.20 0.45 3.32 1.04 -1.26 -4.63 113.70 118.50 3g6e s SER 140 Ca 0.05 1.04 0.23 0.00 0.48 0.00 0.00 55.95 57.76 3g6e s SER 140 Cb -0.19 -1.67 1.00 0.00 0.10 0.00 0.00 66.02 65.26 3g6e s SER 140 CO 0.10 -2.12 1.87 0.00 0.98 0.00 0.00 173.24 174.07 3g6e h THR 141 N -1.20 0.65 -2.42 2.02 1.03 -1.93 -3.42 112.91 107.65 3g6e h THR 141 Ca -0.48 -1.06 -0.61 0.00 -0.01 0.00 0.00 66.41 64.25 3g6e h THR 141 Cb 1.31 1.69 0.08 0.00 -1.07 0.00 0.00 68.15 70.16 3g6e h THR 141 CO 0.62 0.23 0.45 -0.24 -0.01 0.00 0.00 175.52 176.58 3g6e n SER 142 N -3.51 2.15 -4.73 0.00 2.88 -1.26 -1.61 113.62 107.55 3g6e n SER 142 Ca -0.01 1.15 -0.42 0.00 -1.33 0.00 0.00 58.87 58.27 3g6e n SER 142 Cb 0.40 -1.34 -0.03 0.00 -0.75 0.00 0.00 64.21 62.48 3g6e n SER 142 CO 0.00 0.00 0.00 0.86 -1.23 0.00 0.00 175.04 174.67 3g6e s TRP 143 N -0.21 3.13 -0.01 0.66 -0.11 -1.26 -4.08 118.94 117.06 3g6e s TRP 143 Ca 0.69 0.97 0.01 0.00 1.22 0.00 0.00 56.10 58.98 3g6e s TRP 143 Cb -0.72 -3.77 0.00 0.00 -1.50 0.00 0.00 33.47 27.48 3g6e s TRP 143 CO 0.52 -2.60 -0.02 1.03 -4.62 0.00 0.00 176.95 171.25 3g6e s ARG 144 N 0.31 0.24 0.06 5.86 1.81 -1.26 -4.98 118.95 120.99 3g6e s ARG 144 Ca 0.62 -0.08 -0.31 0.00 -1.72 0.00 0.00 55.73 54.25 3g6e s ARG 144 Cb -0.40 -0.26 -0.07 0.00 -0.45 0.00 0.00 34.95 33.77 3g6e s ARG 144 CO 0.37 0.03 1.52 0.21 -0.68 0.00 0.00 175.30 176.75 3g6e s LYS 145 N 0.09 4.25 -0.39 3.54 2.20 -1.26 -4.72 119.74 123.44 3g6e s LYS 145 Ca -0.01 2.17 -0.28 0.00 -0.36 0.00 0.00 55.97 57.49 3g6e s LYS 145 Cb -0.03 -3.49 -0.03 0.00 -1.51 0.00 0.00 37.83 32.77 3g6e s LYS 145 CO -0.00 -0.62 1.93 -1.25 -0.36 0.00 0.00 175.35 175.05 3g6e s PRO 146 N 2.18 3.04 0.13 4.03 0.04 -1.26 -4.85 135.00 138.32 3g6e s PRO 146 Ca 0.69 1.35 0.17 0.00 0.04 0.00 0.00 61.00 63.24 3g6e s PRO 146 Cb -0.37 -4.30 -0.07 0.00 0.04 0.00 0.00 34.50 29.81 3g6e s PRO 146 CO 0.30 -2.21 1.01 0.00 0.04 0.00 0.00 177.00 176.14 3g6e h ARG 147 N 14.26 0.00 -6.41 4.56 2.47 -2.00 -3.43 114.38 123.84 3g6e h ARG 147 Ca -0.32 0.00 -0.62 0.00 -1.26 0.00 0.00 59.98 57.78 3g6e h ARG 147 Cb 1.19 0.00 0.05 0.00 -1.65 0.00 0.00 29.97 29.56 3g6e h ARG 147 CO 1.07 0.31 0.67 0.41 0.56 0.00 0.00 179.97 182.99 3g6e n GLY 148 N 1.33 0.88 0.37 0.04 0.00 -1.26 -4.88 105.19 101.67 3g6e n GLY 148 Ca -0.06 0.68 0.15 0.00 0.00 0.00 0.00 46.02 46.80 3g6e n GLY 148 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 3g6e h GLN 149 N 5.49 0.33 -0.03 1.61 1.08 -2.04 -1.61 115.11 119.96 3g6e h GLN 149 Ca -0.46 -0.02 0.00 0.00 -1.45 0.00 0.00 58.65 56.72 3g6e h GLN 149 Cb 1.29 -0.08 0.00 0.00 -0.05 0.00 0.00 27.48 28.64 3g6e h GLN 149 CO 0.85 0.22 0.00 1.28 -0.95 0.00 0.00 178.83 180.23 3g6e n LEU 150 N -4.46 2.58 -4.67 1.46 4.77 -1.26 -4.97 117.00 110.45 3g6e n LEU 150 Ca 0.12 -1.01 -0.52 0.00 -0.03 0.00 0.00 56.01 54.57 3g6e n LEU 150 Cb 0.50 -0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.53 3g6e n LEU 150 CO 0.34 0.45 1.27 -0.24 -1.33 0.00 0.00 177.39 177.88 3g6e n SER 151 N 1.06 2.64 -0.30 -1.43 2.88 -0.61 -4.89 113.62 112.98 3g6e n SER 151 Ca 0.11 1.06 -0.03 0.00 -1.33 0.00 0.00 58.87 58.68 3g6e n SER 151 Cb 0.47 -1.26 0.13 0.00 -0.75 0.00 0.00 64.21 62.81 3g6e n SER 151 CO 0.00 0.00 0.00 0.11 -1.23 0.00 0.00 175.04 173.92 3g6e h LYS 152 N 7.07 1.19 -0.42 -1.46 1.79 -1.95 -1.80 116.57 120.98 3g6e h LYS 152 Ca -0.47 -0.12 -0.15 0.00 -2.18 0.00 0.00 60.65 57.73 3g6e h LYS 152 Cb 1.30 -0.24 -0.01 0.00 -1.58 0.00 0.00 32.23 31.70 3g6e h LYS 152 CO 0.91 0.85 -0.31 0.37 -1.08 0.00 0.00 179.45 180.19 3g6e h GLN 153 N 1.20 0.95 -0.61 3.15 4.15 -1.88 -1.54 115.11 120.53 3g6e h GLN 153 Ca 0.31 -0.46 -0.05 0.00 0.77 0.00 0.00 58.65 59.22 3g6e h GLN 153 Cb -0.00 -0.01 -0.03 0.00 0.21 0.00 0.00 27.48 27.65 3g6e h GLN 153 CO -0.05 1.12 0.19 -0.09 -1.93 0.00 0.00 178.83 178.06 3g6e h ARG 154 N 0.79 0.91 -0.00 1.69 2.43 -1.77 -1.25 114.38 117.19 3g6e h ARG 154 Ca 0.08 -0.17 0.00 0.00 -0.81 0.00 0.00 59.98 59.08 3g6e h ARG 154 Cb 0.90 -0.14 0.00 0.00 -0.42 0.00 0.00 29.97 30.30 3g6e h ARG 154 CO 0.08 0.79 -0.00 0.54 -1.51 0.00 0.00 179.97 179.87 3g6e n ARG 155 N -4.28 0.52 -3.08 0.20 1.74 -0.70 -4.93 116.66 106.12 3g6e n ARG 155 Ca 0.05 -0.00 -0.14 0.00 -0.77 0.00 0.00 57.85 56.98 3g6e n ARG 155 Cb 0.21 -1.50 0.04 0.00 -1.02 0.00 0.00 32.46 30.19 3g6e n ARG 155 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3g6e n GLY 156 N 1.24 0.05 3.74 -0.13 0.00 -0.47 -5.00 105.19 104.62 3g6e n GLY 156 Ca 0.16 -0.14 -0.41 0.00 0.00 0.00 0.00 46.02 45.63 3g6e n GLY 156 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3g6e s ILE 157 N -3.14 3.42 0.04 -0.61 1.09 -0.62 -4.95 121.20 116.42 3g6e s ILE 157 Ca 0.32 1.23 -0.30 0.00 -1.10 0.00 0.00 60.65 60.80 3g6e s ILE 157 Cb -0.14 -3.79 -0.07 0.00 -1.06 0.00 0.00 42.46 37.40 3g6e s ILE 157 CO 0.40 0.22 1.62 -0.75 -0.10 0.00 0.00 174.94 176.33 3g6e s LYS 158 N -0.51 4.21 0.00 2.79 2.20 -1.26 -2.65 119.74 124.52 3g6e s LYS 158 Ca 0.52 2.26 0.00 0.00 -0.36 0.00 0.00 55.97 58.39 3g6e s LYS 158 Cb -0.34 -3.67 0.00 0.00 -1.51 0.00 0.00 37.83 32.31 3g6e s LYS 158 CO 0.39 -0.74 0.00 0.41 -0.36 0.00 0.00 175.35 175.05 3g6e n GLY 159 N 3.98 0.75 1.11 5.54 0.00 -1.26 -4.95 105.19 110.36 3g6e n GLY 159 Ca 0.16 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.27 3g6e n GLY 159 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3g6e n LYS 160 N -1.19 2.48 0.00 1.61 4.76 -1.08 -5.04 118.16 119.70 3g6e n LYS 160 Ca 0.00 -2.11 0.00 0.00 -2.87 0.00 0.00 58.31 53.33 3g6e n LYS 160 Cb 0.00 -1.50 0.00 0.00 -1.84 0.00 0.00 35.03 31.69 3g6e n LYS 160 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3g6e n GLY 161 N 1.34 -0.29 3.75 0.72 0.00 -1.26 -4.65 105.19 104.80 3g6e n GLY 161 Ca 0.20 -1.50 -0.40 0.00 0.00 0.00 0.00 46.02 44.31 3g6e n GLY 161 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3g6e s ASP 162 N -1.42 7.40 0.20 1.61 1.01 -1.26 -4.91 116.67 119.29 3g6e s ASP 162 Ca 0.00 2.12 -0.12 0.00 0.71 0.00 0.00 52.55 55.26 3g6e s ASP 162 Cb 0.00 -2.62 -0.07 0.00 1.01 0.00 0.00 42.92 41.24 3g6e s ASP 162 CO 0.00 -0.06 0.56 0.28 0.21 0.00 0.00 175.17 176.16 3g6e s THR 163 N -0.97 4.89 0.05 -1.27 -1.32 -1.26 -4.82 115.64 110.95 3g6e s THR 163 Ca 0.44 0.63 -0.31 0.00 -1.21 0.00 0.00 61.69 61.25 3g6e s THR 163 Cb -0.29 -3.66 -0.08 0.00 -1.51 0.00 0.00 72.50 66.96 3g6e s THR 163 CO 0.37 0.04 1.58 -0.69 -2.21 0.00 0.00 174.62 173.71 3g6e s VAL 164 N -1.69 3.21 0.05 5.08 1.01 -1.26 -5.00 120.40 121.80 3g6e s VAL 164 Ca 0.44 0.66 -0.02 0.00 0.00 0.00 0.00 61.98 63.06 3g6e s VAL 164 Cb -0.13 -3.42 -0.03 0.00 0.00 0.00 0.00 36.38 32.80 3g6e s VAL 164 CO 0.20 0.00 -0.00 -1.61 0.00 0.00 0.00 175.10 173.69 3g6e s GLU 165 N 2.50 0.62 0.48 2.72 2.02 -1.26 -5.05 118.70 120.73 3g6e s GLU 165 Ca 0.71 -1.14 0.26 0.00 0.02 0.00 0.00 54.97 54.82 3g6e s GLU 165 Cb -0.38 0.22 1.16 0.00 0.10 0.00 0.00 34.13 35.24 3g6e s GLU 165 CO 0.31 -0.12 1.93 0.00 0.02 0.00 0.00 175.26 177.39 3g6e h ALA 166 N 3.22 1.11 0.00 5.21 0.00 -2.02 -2.86 119.26 123.92 3g6e h ALA 166 Ca -0.34 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.41 3g6e h ALA 166 Cb 1.15 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.91 3g6e h ALA 166 CO 0.63 0.22 0.00 0.41 0.00 0.00 0.00 179.25 180.51 3g6e n GLY 167 N -0.19 -0.83 0.24 0.00 0.00 -1.26 -1.95 105.19 101.19 3g6e n GLY 167 Ca -0.01 0.04 0.13 0.00 0.00 0.00 0.00 46.02 46.18 3g6e n GLY 167 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3g6e n PHE 168 N -1.75 0.00 -1.73 1.61 3.01 -1.08 -4.97 117.46 112.56 3g6e n PHE 168 Ca 0.01 0.00 -0.38 0.00 1.01 0.00 0.00 57.45 58.10 3g6e n PHE 168 Cb 0.09 -0.13 0.06 0.00 -0.01 0.00 0.00 39.48 39.49 3g6e n PHE 168 CO 0.00 0.00 0.00 0.54 1.01 0.00 0.00 176.76 178.31 3g6e n ARG 169 N -0.69 1.29 -2.02 -1.08 5.12 -0.82 -5.02 116.66 113.43 3g6e n ARG 169 Ca 0.12 0.49 -0.30 0.00 -1.93 0.00 0.00 57.85 56.23 3g6e n ARG 169 Cb 0.35 -2.53 0.01 0.00 -1.16 0.00 0.00 32.46 29.13 3g6e n ARG 169 CO 0.00 0.00 0.00 -1.54 -1.93 0.00 0.00 177.63 174.16 3g6e s SER 170 N -1.22 6.17 0.31 0.55 1.04 -1.26 -5.01 113.70 114.28 3g6e s SER 170 Ca 0.79 1.29 -0.30 0.00 0.48 0.00 0.00 55.95 58.22 3g6e s SER 170 Cb -0.39 -2.38 -0.11 0.00 0.10 0.00 0.00 66.02 63.24 3g6e s SER 170 CO 0.43 -0.85 1.59 -2.84 0.98 0.00 0.00 173.24 172.55 3g6e s PRO 171 N -5.11 4.10 0.21 4.02 0.02 -1.26 -4.78 135.00 132.20 3g6e s PRO 171 Ca 0.54 2.61 -0.11 0.00 0.02 0.00 0.00 61.00 64.06 3g6e s PRO 171 Cb -0.11 -3.00 0.30 0.00 0.02 0.00 0.00 34.50 31.71 3g6e s PRO 171 CO 0.52 -0.64 1.67 1.15 -0.33 0.00 0.00 177.00 179.37 3g6e h THR 172 N 3.30 0.51 0.00 0.99 2.02 -1.96 0.36 112.91 118.13 3g6e h THR 172 Ca -0.48 -0.05 0.00 0.00 0.77 0.00 0.00 66.41 66.66 3g6e h THR 172 Cb 1.22 0.36 0.00 0.00 -1.74 0.00 0.00 68.15 68.00 3g6e h THR 172 CO 0.77 0.02 0.00 0.00 0.37 0.00 0.00 175.52 176.68 3g6e n ALA 173 N -2.77 1.03 -0.13 6.16 0.00 -1.26 -2.92 120.51 120.61 3g6e n ALA 173 Ca 0.09 0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.61 3g6e n ALA 173 Cb 0.35 -1.13 0.00 0.00 0.00 0.00 0.00 19.45 18.67 3g6e n ALA 173 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.50 179.05 3g6e n VAL 174 N -1.82 0.00 -1.68 0.00 3.14 -0.61 -4.96 118.33 112.41 3g6e n VAL 174 Ca -0.01 -0.13 -0.48 0.00 -2.96 0.00 0.00 64.34 60.76 3g6e n VAL 174 Cb 0.02 1.13 -0.05 0.00 -1.06 0.00 0.00 33.84 33.88 3g6e n VAL 174 CO 0.00 0.00 0.00 -1.14 -6.46 0.00 0.00 176.83 169.23 3g6e n ARG 175 N -0.21 2.11 -0.06 1.45 0.63 0.02 -1.88 116.66 118.71 3g6e n ARG 175 Ca 0.00 0.77 0.00 0.00 -0.92 0.00 0.00 57.85 57.70 3g6e n ARG 175 Cb 0.03 -2.59 0.00 0.00 0.45 0.00 0.00 32.46 30.35 3g6e n ARG 175 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 3g6e n GLY 176 N 4.16 0.85 3.78 5.14 0.00 -1.26 -5.04 105.19 112.81 3g6e n GLY 176 Ca 0.22 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.89 3g6e n GLY 176 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3g6e s LYS 177 N -0.70 3.49 0.63 1.61 1.02 -0.79 -4.73 119.74 120.27 3g6e s LYS 177 Ca 0.00 1.55 -0.16 0.00 0.02 0.00 0.00 55.97 57.38 3g6e s LYS 177 Cb 0.00 -2.05 -0.01 0.00 -0.52 0.00 0.00 37.83 35.25 3g6e s LYS 177 CO 0.00 -0.73 1.12 -1.58 -0.92 0.00 0.00 175.35 173.24 3g6e s HIS 178 N -1.81 2.61 0.28 3.18 5.65 -0.42 -4.89 115.29 119.89 3g6e s HIS 178 Ca 0.71 1.55 0.23 0.00 0.25 0.00 0.00 55.06 57.80 3g6e s HIS 178 Cb -0.22 -3.21 1.25 0.00 -1.18 0.00 0.00 32.58 29.21 3g6e s HIS 178 CO 0.25 -1.70 1.66 -1.00 -0.65 0.00 0.00 174.74 173.30 3g6e h PRO 179 N 0.31 0.00 0.00 2.88 0.13 -1.95 -0.69 132.00 132.68 3g6e h PRO 179 Ca -0.48 0.00 -0.18 0.00 -0.87 0.00 0.00 66.00 64.48 3g6e h PRO 179 Cb 1.25 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.36 3g6e h PRO 179 CO 0.55 0.00 -0.84 0.66 -0.23 0.00 0.00 178.00 178.14 3g6e h SER 180 N 0.00 0.00 0.00 1.44 4.64 -2.00 -3.47 113.55 114.16 3g6e h SER 180 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3g6e h SER 180 Cb 0.50 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.59 3g6e h SER 180 CO 0.00 0.84 0.00 0.61 -0.87 0.00 0.00 176.83 177.41 3g6e n GLY 181 N 0.93 1.16 3.79 -0.77 0.00 -0.27 -4.60 105.19 105.43 3g6e n GLY 181 Ca -0.00 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.66 3g6e n GLY 181 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3g6e s PHE 182 N -2.00 3.11 -0.07 1.61 2.99 -1.26 -4.76 117.98 117.60 3g6e s PHE 182 Ca 0.00 1.60 -0.17 0.00 0.00 0.00 0.00 56.93 58.37 3g6e s PHE 182 Cb 0.00 -3.10 -0.05 0.00 0.00 0.00 0.00 43.02 39.87 3g6e s PHE 182 CO 0.00 -0.76 0.45 -1.21 -0.00 0.00 0.00 175.22 173.70 3g6e s GLU 183 N -2.90 4.21 0.18 0.44 0.41 -1.00 -1.30 118.70 118.75 3g6e s GLU 183 Ca 0.63 0.43 -0.24 0.00 -0.41 0.00 0.00 54.97 55.38 3g6e s GLU 183 Cb -0.19 -3.36 -0.08 0.00 -1.78 0.00 0.00 34.13 28.72 3g6e s GLU 183 CO 0.24 0.35 0.77 -1.21 -0.49 0.00 0.00 175.26 174.91 3g6e s GLU 184 N 0.00 4.48 -0.12 1.61 2.02 -1.26 -1.81 118.70 123.63 3g6e s GLU 184 Ca 0.25 1.09 -0.00 0.00 0.02 0.00 0.00 54.97 56.32 3g6e s GLU 184 Cb -0.16 -3.15 0.02 0.00 0.10 0.00 0.00 34.13 30.95 3g6e s GLU 184 CO 0.11 0.52 -0.08 0.08 0.02 0.00 0.00 175.26 175.91 3g6e s VAL 185 N -1.26 1.07 -0.19 2.63 1.01 -0.92 -4.95 120.40 117.79 3g6e s VAL 185 Ca 0.38 -0.31 -0.27 0.00 0.00 0.00 0.00 61.98 61.78 3g6e s VAL 185 Cb -0.21 -1.08 -0.01 0.00 0.00 0.00 0.00 36.38 35.08 3g6e s VAL 185 CO 0.25 0.38 0.91 -0.60 0.00 0.00 0.00 175.10 176.03 3g6e s ARG 186 N 1.69 4.28 -0.08 2.72 3.52 -1.26 -1.46 118.95 128.35 3g6e s ARG 186 Ca 0.05 1.14 0.02 0.00 -0.13 0.00 0.00 55.73 56.81 3g6e s ARG 186 Cb -0.13 -3.60 -0.02 0.00 -1.56 0.00 0.00 34.95 29.64 3g6e s ARG 186 CO -0.08 -0.45 -0.15 0.54 -0.81 0.00 0.00 175.30 174.34 3g6e s VAL 187 N 2.56 2.91 -0.08 7.11 0.11 -0.35 -4.95 120.40 127.71 3g6e s VAL 187 Ca 0.40 -0.75 0.08 0.00 -2.93 0.00 0.00 61.98 58.78 3g6e s VAL 187 Cb -0.16 -2.16 -0.11 0.00 -1.53 0.00 0.00 36.38 32.42 3g6e s VAL 187 CO 0.10 0.56 0.04 1.41 -3.33 0.00 0.00 175.10 173.89 3g6e n HIS 188 N 2.89 0.00 -3.88 1.54 8.25 -1.26 -1.55 115.22 121.20 3g6e n HIS 188 Ca -0.18 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.28 3g6e n HIS 188 Cb 0.52 -0.41 0.00 0.00 1.12 0.00 0.00 29.99 31.22 3g6e n HIS 188 CO 0.00 0.00 0.00 0.27 0.64 0.00 0.00 176.34 177.25 3g6e n ASN 189 N -2.28 0.00 0.09 0.41 2.04 -1.26 -4.93 115.26 109.33 3g6e n ASN 189 Ca -0.13 -0.98 -0.13 0.00 -0.44 0.00 0.00 54.58 52.89 3g6e n ASN 189 Cb 0.74 0.00 -0.08 0.00 -2.53 0.00 0.00 39.78 37.92 3g6e n ASN 189 CO 0.00 0.00 0.00 0.58 -0.44 0.00 0.00 177.26 177.40 3g6e h VAL 190 N 0.98 1.47 0.00 3.53 2.07 -1.94 -3.24 116.25 119.13 3g6e h VAL 190 Ca 0.00 -2.76 0.00 0.00 0.82 0.00 0.00 66.70 64.76 3g6e h VAL 190 Cb 0.00 2.66 0.00 0.00 -1.52 0.00 0.00 31.29 32.43 3g6e h VAL 190 CO 0.00 0.81 0.00 0.47 0.02 0.00 0.00 177.57 178.87 3g6e n ASP 191 N -3.63 0.00 0.04 0.57 8.00 -1.26 -2.17 116.55 118.11 3g6e n ASP 191 Ca -0.07 0.17 0.12 0.00 0.71 0.00 0.00 54.79 55.72 3g6e n ASP 191 Cb 0.91 -0.34 0.24 0.00 -0.02 0.00 0.00 41.12 41.91 3g6e n ASP 191 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 3g6e n ASP 192 N -1.34 0.61 0.00 -2.24 8.00 -1.22 -3.75 116.55 116.61 3g6e n ASP 192 Ca 0.07 0.08 0.14 0.00 0.71 0.00 0.00 54.79 55.79 3g6e n ASP 192 Cb 0.14 0.08 0.60 0.00 -0.02 0.00 0.00 41.12 41.92 3g6e n ASP 192 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 3g6e n LEU 193 N -1.92 0.04 -4.68 0.64 4.77 -0.92 -4.81 117.00 110.12 3g6e n LEU 193 Ca 0.04 0.50 -0.43 0.00 -0.03 0.00 0.00 56.01 56.09 3g6e n LEU 193 Cb 0.41 -0.49 -0.02 0.00 -2.33 0.00 0.00 43.42 40.98 3g6e n LEU 193 CO 0.35 -0.01 0.89 -0.70 -1.33 0.00 0.00 177.39 176.59 3g6e s GLU 194 N -3.00 4.35 0.00 3.23 2.12 -1.25 -3.04 118.70 121.11 3g6e s GLU 194 Ca 0.14 1.49 0.00 0.00 0.36 0.00 0.00 54.97 56.96 3g6e s GLU 194 Cb 0.19 -3.59 0.00 0.00 0.26 0.00 0.00 34.13 30.99 3g6e s GLU 194 CO 0.54 -0.45 0.00 0.41 -0.54 0.00 0.00 175.26 175.22 3g6e n GLY 195 N 3.26 0.19 3.66 -1.50 0.00 -1.26 -5.06 105.19 104.48 3g6e n GLY 195 Ca 0.10 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.70 3g6e n GLY 195 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3g6e s VAL 196 N -2.02 4.76 -0.48 1.61 1.01 -1.17 -5.01 120.40 119.09 3g6e s VAL 196 Ca 0.00 1.85 -0.23 0.00 0.00 0.00 0.00 61.98 63.60 3g6e s VAL 196 Cb 0.00 -4.23 0.03 0.00 0.00 0.00 0.00 36.38 32.18 3g6e s VAL 196 CO 0.00 -0.11 0.81 -0.62 0.00 0.00 0.00 175.10 175.18 3g6e s ASP 197 N 1.23 6.38 0.00 3.32 2.15 -1.26 -4.93 116.67 123.56 3g6e s ASP 197 Ca 0.41 -0.23 0.09 0.00 0.43 0.00 0.00 52.55 53.24 3g6e s ASP 197 Cb -0.15 -2.39 0.53 0.00 -0.30 0.00 0.00 42.92 40.60 3g6e s ASP 197 CO 0.08 -0.99 0.95 0.61 -0.17 0.00 0.00 175.17 175.65 3g6e n GLY 198 N 5.03 -0.33 0.11 2.66 0.00 -1.26 0.09 105.19 111.50 3g6e n GLY 198 Ca 0.02 -0.06 -0.14 0.00 0.00 0.00 0.00 46.02 45.84 3g6e n GLY 198 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3g6e n ASP 199 N -0.92 1.03 -0.13 1.61 8.00 -1.26 -4.65 116.55 120.22 3g6e n ASP 199 Ca 0.07 0.03 -0.25 0.00 0.71 0.00 0.00 54.79 55.34 3g6e n ASP 199 Cb 0.03 0.18 -0.11 0.00 -0.02 0.00 0.00 41.12 41.20 3g6e n ASP 199 CO 0.00 0.00 0.00 0.41 -0.39 0.00 0.00 177.20 177.22 3g6e n THR 200 N -3.04 1.52 -4.24 -3.53 -1.04 -0.92 -3.30 114.28 99.73 3g6e n THR 200 Ca -0.35 -0.46 -0.32 0.00 -2.04 0.00 0.00 64.05 60.88 3g6e n THR 200 Cb 1.08 -1.69 -0.09 0.00 -1.82 0.00 0.00 70.33 67.81 3g6e n THR 200 CO 0.00 0.00 0.00 -1.61 -0.64 0.00 0.00 175.07 172.82 3g6e s GLU 201 N -2.51 2.71 0.33 -2.82 2.02 0.11 -2.36 118.70 116.18 3g6e s GLU 201 Ca -0.37 -0.69 0.10 0.00 0.02 0.00 0.00 54.97 54.03 3g6e s GLU 201 Cb 0.12 -2.63 -0.06 0.00 0.10 0.00 0.00 34.13 31.67 3g6e s GLU 201 CO 0.54 0.60 -0.05 0.00 0.02 0.00 0.00 175.26 176.37 3g6e s ALA 202 N -1.16 3.06 0.02 5.21 0.00 -0.75 -4.08 121.76 124.06 3g6e s ALA 202 Ca 0.22 -1.99 0.07 0.00 0.00 0.00 0.00 51.96 50.25 3g6e s ALA 202 Cb -0.12 -0.25 -0.03 0.00 0.00 0.00 0.00 23.12 22.72 3g6e s ALA 202 CO 0.13 0.10 -0.18 0.54 0.00 0.00 0.00 175.76 176.35 3g6e s VAL 203 N -2.54 2.77 -0.22 0.00 0.11 0.40 -2.16 120.40 118.75 3g6e s VAL 203 Ca 0.33 -1.11 0.00 0.00 -2.93 0.00 0.00 61.98 58.28 3g6e s VAL 203 Cb 0.00 -2.14 0.05 0.00 -1.53 0.00 0.00 36.38 32.77 3g6e s VAL 203 CO 0.18 0.40 -0.05 -0.60 -3.33 0.00 0.00 175.10 171.69 3g6e s ARG 204 N -1.26 1.58 0.06 1.54 3.52 -0.53 -0.11 118.95 123.74 3g6e s ARG 204 Ca 0.14 -0.86 -0.30 0.00 -0.13 0.00 0.00 55.73 54.57 3g6e s ARG 204 Cb -0.10 -2.45 -0.05 0.00 -1.56 0.00 0.00 34.95 30.79 3g6e s ARG 204 CO 0.04 -0.55 1.15 0.42 -0.81 0.00 0.00 175.30 175.54 3g6e s ILE 205 N 1.46 4.19 0.49 4.11 1.01 -1.26 -1.21 121.20 129.98 3g6e s ILE 205 Ca -0.04 1.59 -0.23 0.00 0.00 0.00 0.00 60.65 61.97 3g6e s ILE 205 Cb -0.18 -4.02 -0.08 0.00 0.01 0.00 0.00 42.46 38.19 3g6e s ILE 205 CO -0.07 0.14 1.16 0.00 0.00 0.00 0.00 174.94 176.17 3g6e n ALA 206 N 3.80 0.85 -0.35 9.38 0.00 -0.60 -4.92 120.51 128.68 3g6e n ALA 206 Ca 0.08 0.17 0.03 0.00 0.00 0.00 0.00 53.44 53.72 3g6e n ALA 206 Cb 0.47 -2.21 0.18 0.00 0.00 0.00 0.00 19.45 17.90 3g6e n ALA 206 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3g6e h SER 207 N 1.48 0.93 -0.94 0.00 4.64 -1.94 -3.08 113.55 114.64 3g6e h SER 207 Ca -0.48 0.02 0.04 0.00 -0.47 0.00 0.00 61.79 60.91 3g6e h SER 207 Cb 1.32 -0.17 -0.06 0.00 -0.31 0.00 0.00 62.40 63.19 3g6e h SER 207 CO 0.57 0.57 0.61 0.11 -0.87 0.00 0.00 176.83 177.82 3g6e h LYS 208 N 1.05 1.13 -6.24 4.77 1.57 -2.00 -3.44 116.57 113.42 3g6e h LYS 208 Ca 0.43 -0.07 -0.67 0.00 -1.87 0.00 0.00 60.65 58.47 3g6e h LYS 208 Cb 0.26 -0.26 0.02 0.00 0.08 0.00 0.00 32.23 32.34 3g6e h LYS 208 CO -0.20 0.75 0.92 0.28 -0.57 0.00 0.00 179.45 180.63 3g6e n VAL 209 N -4.45 0.36 -1.73 0.50 0.31 -1.17 -4.96 118.33 107.19 3g6e n VAL 209 Ca 0.13 -0.06 -0.30 0.00 -0.01 0.00 0.00 64.34 64.10 3g6e n VAL 209 Cb 0.12 -1.46 0.09 0.00 -0.91 0.00 0.00 33.84 31.67 3g6e n VAL 209 CO 0.00 0.00 0.00 -0.83 -1.32 0.00 0.00 176.83 174.68 3g6e s GLY 210 N 3.23 1.61 0.45 2.92 0.00 -1.26 -4.81 107.32 109.45 3g6e s GLY 210 Ca 0.93 -0.42 0.22 0.00 0.00 0.00 0.00 44.72 45.45 3g6e s GLY 210 CO 0.56 0.03 1.85 0.00 0.00 0.00 0.00 173.10 175.54 3g6e h ALA 211 N -1.04 2.39 0.33 3.20 0.00 -1.98 -0.09 119.26 122.06 3g6e h ALA 211 Ca -0.47 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.44 3g6e h ALA 211 Cb 1.29 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.09 3g6e h ALA 211 CO 0.63 -0.69 -0.16 -0.09 0.00 0.00 0.00 179.25 178.94 3g6e h ARG 212 N 0.30 -0.42 0.00 0.00 2.43 -2.01 -2.54 114.38 112.14 3g6e h ARG 212 Ca 0.48 0.03 -0.08 0.00 -0.81 0.00 0.00 59.98 59.61 3g6e h ARG 212 Cb 1.39 0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 31.02 3g6e h ARG 212 CO -0.15 -0.10 -0.36 -0.22 -1.51 0.00 0.00 179.97 177.63 3g6e h LYS 213 N -0.81 0.00 -0.37 0.20 3.64 -1.82 -3.06 116.57 114.34 3g6e h LYS 213 Ca -0.04 0.00 -0.13 0.00 -1.27 0.00 0.00 60.65 59.21 3g6e h LYS 213 Cb 0.52 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.33 3g6e h LYS 213 CO 0.07 0.36 -0.28 0.00 -2.27 0.00 0.00 179.45 177.33 3g6e h ARG 214 N 0.00 0.77 -0.56 1.90 3.08 -1.03 -1.86 114.38 116.67 3g6e h ARG 214 Ca -0.00 -0.34 -0.05 0.00 0.07 0.00 0.00 59.98 59.66 3g6e h ARG 214 Cb 0.83 -0.02 -0.02 0.00 0.08 0.00 0.00 29.97 30.84 3g6e h ARG 214 CO 0.05 0.96 0.18 1.49 -1.07 0.00 0.00 179.97 181.57 3g6e h GLU 215 N 0.66 0.88 -0.10 0.04 4.81 -1.35 0.08 114.58 119.60 3g6e h GLU 215 Ca 0.08 -0.19 -0.14 0.00 -0.13 0.00 0.00 59.36 58.98 3g6e h GLU 215 Cb 0.81 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 30.05 3g6e h GLU 215 CO 0.07 0.79 -0.54 0.00 -0.73 0.00 0.00 179.01 178.60 3g6e h ARG 216 N 0.79 0.29 -0.10 1.92 3.08 -1.51 -2.68 114.38 116.16 3g6e h ARG 216 Ca 0.18 -0.18 -0.14 0.00 0.07 0.00 0.00 59.98 59.91 3g6e h ARG 216 Cb 0.28 0.02 0.01 0.00 0.08 0.00 0.00 29.97 30.36 3g6e h ARG 216 CO -0.01 0.75 -0.49 0.82 -1.07 0.00 0.00 179.97 179.98 3g6e h ILE 217 N 0.22 1.37 -0.67 2.04 2.04 -1.11 -3.06 117.51 118.33 3g6e h ILE 217 Ca 0.00 -1.82 -0.02 0.00 1.00 0.00 0.00 64.86 64.03 3g6e h ILE 217 Cb 1.02 2.19 -0.03 0.00 -0.74 0.00 0.00 36.82 39.26 3g6e h ILE 217 CO 0.09 0.55 0.34 -0.33 0.00 0.00 0.00 178.15 178.79 3g6e h GLU 218 N 0.11 0.95 -0.05 2.37 5.08 -0.95 -1.62 114.58 120.48 3g6e h GLU 218 Ca -0.03 -0.13 -0.15 0.00 -1.00 0.00 0.00 59.36 58.04 3g6e h GLU 218 Cb 1.14 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 30.20 3g6e h GLU 218 CO 0.10 0.74 -0.66 1.05 -1.00 0.00 0.00 179.01 179.24 3g6e h GLU 219 N 0.93 0.20 0.00 2.33 4.11 -1.57 -2.46 114.58 118.11 3g6e h GLU 219 Ca 0.23 -0.15 -0.01 0.00 0.07 0.00 0.00 59.36 59.50 3g6e h GLU 219 Cb 0.09 0.03 -0.00 0.00 0.50 0.00 0.00 28.75 29.36 3g6e h GLU 219 CO -0.03 0.79 -0.07 1.49 0.07 0.00 0.00 179.01 181.26 3g6e h GLU 220 N 0.14 0.00 0.22 1.06 4.57 -1.43 -2.63 114.58 116.51 3g6e h GLU 220 Ca -0.01 0.00 -0.33 0.00 -1.18 0.00 0.00 59.36 57.84 3g6e h GLU 220 Cb 1.19 0.00 0.03 0.00 -0.16 0.00 0.00 28.75 29.81 3g6e h GLU 220 CO 0.10 0.07 -1.47 0.00 -1.18 0.00 0.00 179.01 176.52 3g6e h ALA 221 N 1.93 -0.05 -0.33 2.92 0.00 -1.13 -2.92 119.26 119.67 3g6e h ALA 221 Ca -0.00 -0.91 -0.11 0.00 0.00 0.00 0.00 54.91 53.88 3g6e h ALA 221 Cb 0.94 0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.90 3g6e h ALA 221 CO 0.01 0.81 -0.25 1.49 0.00 0.00 0.00 179.25 181.31 3g6e h GLU 222 N 0.13 0.67 0.00 0.00 4.81 -1.40 0.18 114.58 118.97 3g6e h GLU 222 Ca -0.24 -0.27 -0.11 0.00 -0.13 0.00 0.00 59.36 58.60 3g6e h GLU 222 Cb 2.12 -0.03 -0.02 0.00 0.63 0.00 0.00 28.75 31.46 3g6e h GLU 222 CO 0.25 0.86 -0.51 -0.44 -0.73 0.00 0.00 179.01 178.43 3g6e h ASP 223 N 0.58 0.00 -0.23 1.04 3.32 -1.55 -2.79 116.42 116.79 3g6e h ASP 223 Ca 0.08 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.13 3g6e h ASP 223 Cb 0.74 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.29 3g6e h ASP 223 CO 0.06 0.51 0.00 0.00 -1.72 0.00 0.00 179.24 178.09 3g6e n ALA 224 N -2.41 2.49 -2.11 3.45 0.00 -1.03 -4.93 120.51 115.97 3g6e n ALA 224 Ca -0.01 -0.63 -0.10 0.00 0.00 0.00 0.00 53.44 52.70 3g6e n ALA 224 Cb 0.54 -1.03 -0.01 0.00 0.00 0.00 0.00 19.45 18.95 3g6e n ALA 224 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3g6e n GLY 225 N 1.19 0.07 3.49 0.00 0.00 -0.92 -4.65 105.19 104.37 3g6e n GLY 225 Ca 0.16 -0.48 -0.33 0.00 0.00 0.00 0.00 46.02 45.36 3g6e n GLY 225 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3g6e s ILE 226 N -2.48 3.63 0.20 -0.61 1.01 0.60 -4.40 121.20 119.15 3g6e s ILE 226 Ca 0.00 -0.47 -0.27 0.00 0.00 0.00 0.00 60.65 59.91 3g6e s ILE 226 Cb 0.00 -2.55 -0.08 0.00 0.01 0.00 0.00 42.46 39.84 3g6e s ILE 226 CO 0.00 0.53 0.84 -0.60 0.00 0.00 0.00 174.94 175.71 3g6e s ARG 227 N 0.06 4.67 -0.30 2.79 3.52 -1.26 -3.98 118.95 124.45 3g6e s ARG 227 Ca -0.02 1.28 -0.09 0.00 -0.13 0.00 0.00 55.73 56.77 3g6e s ARG 227 Cb -0.14 -3.24 -0.02 0.00 -1.56 0.00 0.00 34.95 29.99 3g6e s ARG 227 CO 0.03 0.54 0.14 0.08 -0.81 0.00 0.00 175.30 175.29 3g6e s VAL 228 N -1.18 4.64 0.41 7.11 1.01 -1.26 -0.46 120.40 130.68 3g6e s VAL 228 Ca 0.38 -0.30 0.14 0.00 0.00 0.00 0.00 61.98 62.21 3g6e s VAL 228 Cb -0.24 -3.31 0.15 0.00 0.00 0.00 0.00 36.38 32.98 3g6e s VAL 228 CO 0.28 0.14 1.93 -0.07 0.00 0.00 0.00 175.10 177.38 3g6e h LEU 229 N 8.34 0.00 -6.88 3.92 3.38 -0.90 -3.32 115.31 119.85 3g6e h LEU 229 Ca -0.34 0.00 -0.62 0.00 0.09 0.00 0.00 57.88 57.01 3g6e h LEU 229 Cb 1.16 0.00 -0.42 0.00 0.09 0.00 0.00 40.66 41.49 3g6e h LEU 229 CO 0.60 0.26 -0.55 -0.46 0.09 0.00 0.00 178.44 178.37 3g6e n ASN 230 N -4.20 3.27 -4.89 -0.43 6.94 -1.26 -5.09 115.26 109.60 3g6e n ASN 230 Ca -0.02 -3.27 -0.29 0.00 -0.02 0.00 0.00 54.58 50.98 3g6e n ASN 230 Cb 0.31 -0.75 0.02 0.00 -2.36 0.00 0.00 39.78 37.00 3g6e n ASN 230 CO 0.00 0.00 0.00 -2.16 -1.03 0.00 0.00 177.26 174.07 3g6e s PRO 231 N -1.72 3.30 -0.00 -0.53 0.04 -1.25 -4.82 135.00 130.01 3g6e s PRO 231 Ca 0.29 0.41 -0.23 0.00 0.04 0.00 0.00 61.00 61.51 3g6e s PRO 231 Cb 0.00 -2.18 -0.05 0.00 0.04 0.00 0.00 34.50 32.32 3g6e s PRO 231 CO -0.13 -0.61 0.68 0.99 0.04 0.00 0.00 177.00 177.98 3g6e s THR 232 N -3.08 4.88 -0.46 1.26 2.01 -1.26 -4.87 115.64 114.13 3g6e s THR 232 Ca 0.54 1.44 -0.16 0.00 0.31 0.00 0.00 61.69 63.81 3g6e s THR 232 Cb -0.11 -4.03 0.05 0.00 0.01 0.00 0.00 72.50 68.43 3g6e s THR 232 CO 0.50 0.35 0.42 -0.31 -0.69 0.00 0.00 174.62 174.89 3g6e s TYR 233 N 0.12 3.20 0.17 4.92 1.51 -1.26 -1.67 117.35 124.34 3g6e s TYR 233 Ca 0.35 -0.71 0.03 0.00 -1.01 0.00 0.00 57.07 55.73 3g6e s TYR 233 Cb -0.19 -3.07 -0.03 0.00 -0.11 0.00 0.00 41.96 38.56 3g6e s TYR 233 CO 0.19 -0.78 0.31 0.08 -1.11 0.00 0.00 175.55 174.24 3g6e s VAL 234 N 1.89 5.30 -0.47 0.71 1.01 -0.55 -4.84 120.40 123.46 3g6e s VAL 234 Ca 0.07 -0.73 -0.24 0.00 0.00 0.00 0.00 61.98 61.08 3g6e s VAL 234 Cb -0.21 -3.77 0.03 0.00 0.00 0.00 0.00 36.38 32.43 3g6e s VAL 234 CO 0.09 -0.15 0.86 -1.61 0.00 0.00 0.00 175.10 174.29 3g6e s GLU 235 N -3.41 3.45 0.00 2.72 8.01 -1.26 -1.32 118.70 126.88 3g6e s GLU 235 Ca 0.35 -0.01 0.04 0.00 0.01 0.00 0.00 54.97 55.35 3g6e s GLU 235 Cb -0.11 -3.95 0.03 0.00 -4.31 0.00 0.00 34.13 25.79 3g6e s GLU 235 CO 0.29 -1.21 0.61 0.28 0.01 0.00 0.00 175.26 175.24