#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k2i s GLN 95 N 0.00 4.11 -0.02 -0.78 -2.07 -1.26 -5.06 119.66 114.58 2k2i s GLN 95 Ca 0.00 2.03 0.02 0.00 -1.82 0.00 0.00 55.36 55.59 2k2i s GLN 95 Cb 0.00 -2.82 0.01 0.00 -1.09 0.00 0.00 33.01 29.11 2k2i s GLN 95 CO 0.00 -0.33 -0.07 0.21 -1.32 0.00 0.00 175.29 173.78 2k2i s LYS 96 N -2.12 0.79 0.13 9.60 2.47 -1.26 -5.13 119.74 124.22 2k2i s LYS 96 Ca 0.55 -0.22 -0.16 0.00 -1.56 0.00 0.00 55.97 54.57 2k2i s LYS 96 Cb -0.35 -0.76 0.03 0.00 -1.46 0.00 0.00 37.83 35.29 2k2i s LYS 96 CO 0.46 0.06 0.40 1.41 0.16 0.00 0.00 175.35 177.84 2k2i s MET 97 N 0.30 1.07 -0.40 4.03 -2.45 -1.26 -5.12 119.30 115.47 2k2i s MET 97 Ca -0.04 -0.72 0.10 0.00 -1.25 0.00 0.00 55.69 53.78 2k2i s MET 97 Cb -0.09 0.47 0.38 0.00 1.25 0.00 0.00 34.83 36.85 2k2i s MET 97 CO 0.00 -0.42 1.19 0.45 1.05 0.00 0.00 175.02 177.30 2k2i n SER 98 N -0.23 -1.27 0.00 1.11 2.88 -1.26 -4.77 113.62 110.08 2k2i n SER 98 Ca -0.16 -2.82 0.00 0.00 -1.33 0.00 0.00 58.87 54.56 2k2i n SER 98 Cb 0.64 0.86 0.00 0.00 -0.75 0.00 0.00 64.21 64.96 2k2i n SER 98 CO 0.00 0.00 0.00 1.21 -1.23 0.00 0.00 175.04 175.02 2k2i n GLU 99 N -0.23 0.00 0.00 -1.46 4.07 -1.26 -4.81 120.64 116.94 2k2i n GLU 99 Ca 0.03 0.00 0.03 0.00 -0.06 0.00 0.00 57.16 57.16 2k2i n GLU 99 Cb 0.80 -0.32 -0.00 0.00 -0.06 0.00 0.00 31.44 31.86 2k2i n GLU 99 CO 0.00 0.00 0.00 1.63 -0.06 0.00 0.00 177.13 178.70 2k2i n LYS 100 N -2.26 2.23 0.24 5.31 4.76 -1.26 -4.72 118.16 122.46 2k2i n LYS 100 Ca 0.00 -0.51 0.07 0.00 -2.87 0.00 0.00 58.31 55.00 2k2i n LYS 100 Cb 0.00 -0.99 0.58 0.00 -1.84 0.00 0.00 35.03 32.78 2k2i n LYS 100 CO 0.00 0.00 0.00 -0.44 -1.37 0.00 0.00 177.40 175.59 2k2i h ASP 101 N 0.79 0.00 -0.75 4.39 5.19 -1.87 -3.36 116.42 120.81 2k2i h ASP 101 Ca 0.00 0.00 0.16 0.00 -0.62 0.00 0.00 57.03 56.57 2k2i h ASP 101 Cb 0.24 0.00 -0.14 0.00 0.18 0.00 0.00 39.33 39.61 2k2i h ASP 101 CO 0.00 0.13 -0.10 0.71 -3.12 0.00 0.00 179.24 176.86 2k2i h THR 102 N 0.00 0.29 -0.23 0.35 1.35 -1.86 0.53 112.91 113.34 2k2i h THR 102 Ca -0.00 -0.01 -0.04 0.00 -0.55 0.00 0.00 66.41 65.81 2k2i h THR 102 Cb 0.24 0.25 -0.01 0.00 -1.73 0.00 0.00 68.15 66.90 2k2i h THR 102 CO 0.02 0.01 -0.00 0.50 -0.25 0.00 0.00 175.52 175.79 2k2i h LYS 103 N 0.04 0.40 -0.08 4.72 3.64 -1.98 -2.65 116.57 120.65 2k2i h LYS 103 Ca 0.38 -0.13 -0.18 0.00 -1.27 0.00 0.00 60.65 59.46 2k2i h LYS 103 Cb 0.63 -0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 32.41 2k2i h LYS 103 CO -0.72 0.59 -0.71 1.05 -2.27 0.00 0.00 179.45 177.39 2k2i h GLU 104 N 0.17 0.40 -0.84 1.90 -0.00 -1.50 -3.05 114.58 111.66 2k2i h GLU 104 Ca 0.06 -0.32 0.11 0.00 -0.00 0.00 0.00 59.36 59.22 2k2i h GLU 104 Cb 0.41 0.06 -0.08 0.00 -0.00 0.00 0.00 28.75 29.14 2k2i h GLU 104 CO 0.01 0.95 0.47 1.49 -0.00 0.00 0.00 179.01 181.93 2k2i h GLU 105 N 0.28 0.72 -0.41 1.06 4.57 -0.01 0.50 114.58 121.28 2k2i h GLU 105 Ca -0.03 -0.04 -0.03 0.00 -1.18 0.00 0.00 59.36 58.08 2k2i h GLU 105 Cb 1.27 -0.16 -0.02 0.00 -0.16 0.00 0.00 28.75 29.68 2k2i h GLU 105 CO 0.12 0.48 0.13 0.82 -1.18 0.00 0.00 179.01 179.38 2k2i h ILE 106 N 0.75 1.22 -0.36 2.32 2.04 -1.37 0.32 117.51 122.42 2k2i h ILE 106 Ca 0.43 -0.71 -0.14 0.00 1.00 0.00 0.00 64.86 65.43 2k2i h ILE 106 Cb 0.47 0.90 -0.01 0.00 -0.74 0.00 0.00 36.82 37.44 2k2i h ILE 106 CO -0.29 0.25 -0.35 0.25 0.00 0.00 0.00 178.15 178.02 2k2i h LEU 107 N 0.52 0.88 -0.14 1.44 6.46 -1.30 0.12 115.31 123.28 2k2i h LEU 107 Ca 0.13 -0.38 0.02 0.00 -0.12 0.00 0.00 57.88 57.54 2k2i h LEU 107 Cb 0.26 -0.25 -0.02 0.00 -0.73 0.00 0.00 40.66 39.92 2k2i h LEU 107 CO -0.00 1.14 -0.00 0.50 -0.62 0.00 0.00 178.44 179.45 2k2i h LYS 108 N 0.69 0.04 -0.28 1.25 3.64 0.05 0.13 116.57 122.10 2k2i h LYS 108 Ca 0.07 -0.00 0.03 0.00 -1.27 0.00 0.00 60.65 59.47 2k2i h LYS 108 Cb 0.91 -0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 32.69 2k2i h LYS 108 CO 0.08 0.03 0.10 0.00 -2.27 0.00 0.00 179.45 177.39 2k2i h ALA 109 N 1.12 0.32 -0.43 5.00 0.00 -0.18 0.18 119.26 125.26 2k2i h ALA 109 Ca 0.07 0.03 0.09 0.00 0.00 0.00 0.00 54.91 55.09 2k2i h ALA 109 Cb 0.08 0.01 -0.08 0.00 0.00 0.00 0.00 17.79 17.80 2k2i h ALA 109 CO -0.11 -0.30 -0.09 0.35 0.00 0.00 0.00 179.25 179.09 2k2i h PHE 110 N 0.23 -0.20 0.00 0.00 3.57 -0.56 -0.06 116.94 119.92 2k2i h PHE 110 Ca 0.12 0.04 -0.03 0.00 3.53 0.00 0.00 57.97 61.63 2k2i h PHE 110 Cb 0.09 0.16 -0.00 0.00 2.79 0.00 0.00 35.95 38.98 2k2i h PHE 110 CO -0.13 -0.17 -0.16 -0.22 -2.23 0.00 0.00 178.31 175.40 2k2i h LYS 111 N 0.01 0.00 0.00 1.11 3.64 -0.42 0.29 116.57 121.20 2k2i h LYS 111 Ca 0.21 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.59 2k2i h LYS 111 Cb 0.32 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.14 2k2i h LYS 111 CO -0.43 0.16 -0.03 -0.07 -2.27 0.00 0.00 179.45 176.81 2k2i h LEU 112 N 0.00 0.00 0.22 5.20 3.38 0.19 -3.26 115.31 121.05 2k2i h LEU 112 Ca -0.00 -0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 2k2i h LEU 112 Cb 0.59 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.34 2k2i h LEU 112 CO 0.02 0.00 -0.11 -0.26 0.09 0.00 0.00 178.44 178.18 2k2i h PHE 113 N 0.00 -0.28 -2.70 1.13 -1.00 -0.50 -3.43 116.94 110.16 2k2i h PHE 113 Ca 0.00 -0.01 -0.70 0.00 2.81 0.00 0.00 57.97 60.07 2k2i h PHE 113 Cb 1.00 0.09 -0.19 0.00 3.61 0.00 0.00 35.95 40.46 2k2i h PHE 113 CO 0.00 -0.09 0.61 0.34 -1.61 0.00 0.00 178.31 177.56 2k2i s ASP 114 N -5.26 6.55 0.25 2.17 2.15 0.04 -4.53 116.67 118.04 2k2i s ASP 114 Ca -0.06 -1.97 0.12 0.00 0.43 0.00 0.00 52.55 51.07 2k2i s ASP 114 Cb 0.00 -2.36 0.16 0.00 -0.30 0.00 0.00 42.92 40.42 2k2i s ASP 114 CO 0.21 -1.03 1.48 0.44 -0.17 0.00 0.00 175.17 176.10 2k2i h ASP 115 N 8.79 0.00 0.07 -0.34 3.32 -1.83 -3.17 116.42 123.25 2k2i h ASP 115 Ca 0.05 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.10 2k2i h ASP 115 Cb 1.04 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.59 2k2i h ASP 115 CO 1.06 0.66 -0.03 0.44 -1.72 0.00 0.00 179.24 179.65 2k2i h ASP 116 N 0.00 -0.07 0.00 6.45 3.32 -1.91 -3.39 116.42 120.81 2k2i h ASP 116 Ca -0.01 -0.55 -0.37 0.00 0.02 0.00 0.00 57.03 56.12 2k2i h ASP 116 Cb 1.35 0.02 -0.06 0.00 0.22 0.00 0.00 39.33 40.86 2k2i h ASP 116 CO 0.09 0.58 -2.27 -0.62 -1.72 0.00 0.00 179.24 175.30 2k2i n GLU 117 N -4.81 0.50 -2.38 3.56 -0.58 -1.26 -5.02 120.64 110.64 2k2i n GLU 117 Ca -0.08 0.19 0.00 0.00 -0.42 0.00 0.00 57.16 56.85 2k2i n GLU 117 Cb 0.31 -1.35 0.00 0.00 -0.57 0.00 0.00 31.44 29.83 2k2i n GLU 117 CO 0.00 0.00 0.00 0.25 -0.48 0.00 0.00 177.13 176.90 2k2i n THR 118 N -3.79 0.00 -0.05 2.62 -2.24 -1.20 -4.92 114.28 104.70 2k2i n THR 118 Ca -0.43 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.35 2k2i n THR 118 Cb 0.84 -1.34 0.00 0.00 -2.10 0.00 0.00 70.33 67.74 2k2i n THR 118 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2k2i n GLY 119 N -0.55 0.06 2.96 3.38 0.00 -1.26 -4.94 105.19 104.84 2k2i n GLY 119 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.89 2k2i n GLY 119 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2k2i s LYS 120 N 0.00 0.13 -0.73 1.61 1.02 -1.26 -4.33 119.74 116.17 2k2i s LYS 120 Ca 0.00 0.38 -0.21 0.00 0.02 0.00 0.00 55.97 56.16 2k2i s LYS 120 Cb 0.00 -0.13 0.09 0.00 -0.52 0.00 0.00 37.83 37.27 2k2i s LYS 120 CO 0.00 -0.14 0.98 0.42 -0.92 0.00 0.00 175.35 175.68 2k2i s ILE 121 N 1.03 4.51 0.08 2.17 1.01 0.15 -4.71 121.20 125.44 2k2i s ILE 121 Ca -0.08 -0.80 0.01 0.00 0.00 0.00 0.00 60.65 59.78 2k2i s ILE 121 Cb -0.10 -4.69 0.01 0.00 0.01 0.00 0.00 42.46 37.70 2k2i s ILE 121 CO -0.06 -1.43 0.11 -1.20 0.00 0.00 0.00 174.94 172.36 2k2i n SER 122 N 7.19 0.39 0.16 3.58 7.64 -1.26 -1.57 113.62 129.76 2k2i n SER 122 Ca 0.04 -1.22 -0.14 0.00 1.01 0.00 0.00 58.87 58.55 2k2i n SER 122 Cb 0.46 -0.06 -0.07 0.00 -1.01 0.00 0.00 64.21 63.54 2k2i n SER 122 CO 0.00 0.00 0.00 0.15 -3.01 0.00 0.00 175.04 172.18 2k2i h PHE 123 N 0.06 -0.87 -0.62 1.43 3.04 -1.94 0.18 116.94 118.22 2k2i h PHE 123 Ca -0.04 0.01 0.10 0.00 3.98 0.00 0.00 57.97 62.03 2k2i h PHE 123 Cb 0.18 0.36 -0.08 0.00 2.56 0.00 0.00 35.95 38.96 2k2i h PHE 123 CO 0.00 -0.44 0.20 -0.22 -2.02 0.00 0.00 178.31 175.83 2k2i h LYS 124 N -0.61 0.35 -0.10 1.11 3.64 -1.96 -0.31 116.57 118.69 2k2i h LYS 124 Ca 0.01 -0.02 -0.05 0.00 -1.27 0.00 0.00 60.65 59.32 2k2i h LYS 124 Cb 0.59 -0.08 -0.00 0.00 -0.41 0.00 0.00 32.23 32.33 2k2i h LYS 124 CO -0.13 0.23 -0.14 -0.91 -2.27 0.00 0.00 179.45 176.23 2k2i h ASN 125 N 0.36 0.29 -0.52 4.20 4.21 -1.81 -2.56 115.58 119.74 2k2i h ASN 125 Ca 0.32 -0.52 0.01 0.00 1.21 0.00 0.00 56.30 57.32 2k2i h ASN 125 Cb 0.43 -0.08 -0.03 0.00 -1.12 0.00 0.00 38.32 37.52 2k2i h ASN 125 CO -0.35 0.75 0.33 0.25 -1.29 0.00 0.00 177.43 177.12 2k2i h LEU 126 N -0.17 0.56 0.00 1.61 6.46 -0.69 -1.87 115.31 121.21 2k2i h LEU 126 Ca 0.01 -0.01 0.00 0.00 -0.12 0.00 0.00 57.88 57.76 2k2i h LEU 126 Cb 0.69 -0.13 0.00 0.00 -0.73 0.00 0.00 40.66 40.49 2k2i h LEU 126 CO 0.03 0.40 0.00 2.29 -0.62 0.00 0.00 178.44 180.54 2k2i n LYS 127 N -4.75 0.91 0.02 1.25 2.85 -0.15 -2.43 118.16 115.86 2k2i n LYS 127 Ca 0.03 0.00 -0.04 0.00 -1.05 0.00 0.00 58.31 57.25 2k2i n LYS 127 Cb 0.04 -1.02 -0.02 0.00 -0.65 0.00 0.00 35.03 33.38 2k2i n LYS 127 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 2k2i h ARG 128 N 0.00 -0.16 -0.38 -1.58 3.08 -0.90 -3.35 114.38 111.08 2k2i h ARG 128 Ca 0.00 0.01 -0.04 0.00 0.07 0.00 0.00 59.98 60.02 2k2i h ARG 128 Cb 0.00 0.04 -0.02 0.00 0.08 0.00 0.00 29.97 30.07 2k2i h ARG 128 CO 0.00 -0.02 0.07 -0.24 -1.07 0.00 0.00 179.97 178.71 2k2i h VAL 129 N -1.03 1.18 0.00 2.04 3.04 -1.53 -0.51 116.25 119.44 2k2i h VAL 129 Ca -0.02 -0.67 -0.00 0.00 -1.01 0.00 0.00 66.70 65.00 2k2i h VAL 129 Cb 0.21 0.82 -0.00 0.00 -2.01 0.00 0.00 31.29 30.31 2k2i h VAL 129 CO 0.03 0.24 -0.01 0.00 -1.01 0.00 0.00 177.57 176.82 2k2i h ALA 130 N 1.53 1.21 0.07 3.17 0.00 -1.68 -0.09 119.26 123.46 2k2i h ALA 130 Ca 0.13 -0.00 -0.09 0.00 0.00 0.00 0.00 54.91 54.94 2k2i h ALA 130 Cb 0.25 -0.00 0.01 0.00 0.00 0.00 0.00 17.79 18.05 2k2i h ALA 130 CO -0.00 0.01 -0.41 0.87 0.00 0.00 0.00 179.25 179.72 2k2i h LYS 131 N 0.00 0.16 -0.98 0.00 1.79 -1.23 0.21 116.57 116.52 2k2i h LYS 131 Ca -0.00 -0.26 0.01 0.00 -2.18 0.00 0.00 60.65 58.22 2k2i h LYS 131 Cb 0.03 0.09 -0.05 0.00 -1.58 0.00 0.00 32.23 30.72 2k2i h LYS 131 CO 0.00 1.11 0.65 0.93 -1.08 0.00 0.00 179.45 181.06 2k2i h GLU 132 N -0.65 1.29 0.00 3.15 5.08 -1.23 -1.66 114.58 120.55 2k2i h GLU 132 Ca -0.07 -0.08 0.00 0.00 -1.00 0.00 0.00 59.36 58.21 2k2i h GLU 132 Cb 1.30 -0.29 0.00 0.00 0.50 0.00 0.00 28.75 30.26 2k2i h GLU 132 CO 0.08 0.85 0.00 1.28 -1.00 0.00 0.00 179.01 180.22 2k2i n LEU 133 N -4.39 0.74 0.00 1.33 7.99 -0.12 -4.92 117.00 117.64 2k2i n LEU 133 Ca 0.12 0.59 0.00 0.00 -0.01 0.00 0.00 56.01 56.71 2k2i n LEU 133 Cb 0.02 -0.39 0.00 0.00 -0.11 0.00 0.00 43.42 42.94 2k2i n LEU 133 CO 0.37 -0.26 0.00 0.61 -1.51 0.00 0.00 177.39 176.59 2k2i n GLY 134 N 1.00 1.10 0.22 -0.72 0.00 -0.63 -4.91 105.19 101.25 2k2i n GLY 134 Ca 0.05 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.95 2k2i n GLY 134 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2k2i h GLU 135 N 3.47 0.64 0.00 1.61 4.39 -1.62 -3.47 114.58 119.59 2k2i h GLU 135 Ca 0.00 -0.43 0.00 0.00 0.34 0.00 0.00 59.36 59.27 2k2i h GLU 135 Cb 0.00 0.06 0.00 0.00 -0.10 0.00 0.00 28.75 28.71 2k2i h GLU 135 CO 0.00 1.05 0.00 0.09 -1.16 0.00 0.00 179.01 178.99 2k2i n ASN 136 N -3.95 0.00 -0.99 1.42 3.02 0.67 -4.91 115.26 110.52 2k2i n ASN 136 Ca -0.04 0.00 0.09 0.00 -0.03 0.00 0.00 54.58 54.60 2k2i n ASN 136 Cb 0.64 0.00 -0.05 0.00 -0.61 0.00 0.00 39.78 39.76 2k2i n ASN 136 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 2k2i n LEU 137 N 0.00 -0.80 -4.90 3.41 4.32 -1.26 -4.78 117.00 112.98 2k2i n LEU 137 Ca 0.00 1.71 -0.28 0.00 -0.02 0.00 0.00 56.01 57.42 2k2i n LEU 137 Cb 0.00 -2.00 0.03 0.00 -1.62 0.00 0.00 43.42 39.83 2k2i n LEU 137 CO 0.00 -1.24 0.60 0.42 -1.22 0.00 0.00 177.39 175.95 2k2i s THR 138 N -4.14 3.85 0.23 -5.08 -4.23 -1.26 -4.88 115.64 100.14 2k2i s THR 138 Ca 0.00 0.25 -0.06 0.00 -1.18 0.00 0.00 61.69 60.69 2k2i s THR 138 Cb 0.00 -3.55 0.19 0.00 1.34 0.00 0.00 72.50 70.48 2k2i s THR 138 CO 0.00 -0.62 1.83 -2.24 -0.54 0.00 0.00 174.62 173.05 2k2i h ASP 139 N -0.28 1.08 -0.00 3.99 2.03 -1.98 0.19 116.42 121.46 2k2i h ASP 139 Ca -0.45 -0.13 0.02 0.00 -0.73 0.00 0.00 57.03 55.74 2k2i h ASP 139 Cb 1.24 -0.28 -0.03 0.00 -0.83 0.00 0.00 39.33 39.43 2k2i h ASP 139 CO 0.62 0.91 -0.16 -0.33 -1.03 0.00 0.00 179.24 179.25 2k2i h GLU 140 N 1.18 -0.25 -0.29 4.15 5.08 -1.98 0.12 114.58 122.58 2k2i h GLU 140 Ca 0.29 0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.67 2k2i h GLU 140 Cb 0.11 0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.40 2k2i h GLU 140 CO -0.04 -0.17 0.19 0.93 -1.00 0.00 0.00 179.01 178.93 2k2i h GLU 141 N -0.26 0.39 -0.61 2.33 5.08 -1.78 0.34 114.58 120.07 2k2i h GLU 141 Ca 0.05 -0.02 0.07 0.00 -1.00 0.00 0.00 59.36 58.45 2k2i h GLU 141 Cb 0.33 -0.09 -0.06 0.00 0.50 0.00 0.00 28.75 29.43 2k2i h GLU 141 CO -0.15 0.26 0.30 -0.07 -1.00 0.00 0.00 179.01 178.34 2k2i h LEU 142 N 0.40 0.41 -0.07 1.33 -0.00 -0.55 -1.42 115.31 115.41 2k2i h LEU 142 Ca 0.11 0.04 -0.01 0.00 -0.00 0.00 0.00 57.88 58.02 2k2i h LEU 142 Cb -0.05 -0.03 -0.00 0.00 -0.00 0.00 0.00 40.66 40.58 2k2i h LEU 142 CO -0.02 0.26 0.00 -0.61 -0.00 0.00 0.00 178.44 178.07 2k2i h GLN 143 N 0.55 0.12 -0.81 1.13 4.15 -0.67 -3.24 115.11 116.34 2k2i h GLN 143 Ca 0.28 -0.04 0.10 0.00 0.77 0.00 0.00 58.65 59.76 2k2i h GLN 143 Cb 0.23 -0.01 -0.07 0.00 0.21 0.00 0.00 27.48 27.84 2k2i h GLN 143 CO -0.21 0.38 0.45 1.49 -1.93 0.00 0.00 178.83 179.01 2k2i h GLU 144 N -0.14 0.73 -0.27 1.69 4.22 -0.01 0.41 114.58 121.21 2k2i h GLU 144 Ca 0.02 -0.04 -0.01 0.00 0.08 0.00 0.00 59.36 59.41 2k2i h GLU 144 Cb 0.32 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.39 2k2i h GLU 144 CO 0.00 0.48 0.12 0.52 -2.18 0.00 0.00 179.01 177.95 2k2i h MET 145 N 0.75 0.37 -0.01 1.92 2.86 -1.35 0.17 114.93 119.64 2k2i h MET 145 Ca 0.40 -0.04 -0.01 0.00 -2.06 0.00 0.00 59.70 57.99 2k2i h MET 145 Cb 0.39 -0.08 -0.00 0.00 0.06 0.00 0.00 31.60 31.97 2k2i h MET 145 CO -0.26 0.31 -0.02 0.82 1.06 0.00 0.00 176.91 178.82 2k2i h ILE 146 N 0.38 1.41 -0.65 -1.22 1.08 -1.05 -3.02 117.51 114.45 2k2i h ILE 146 Ca 0.10 -1.24 0.06 0.00 -0.39 0.00 0.00 64.86 63.38 2k2i h ILE 146 Cb 0.06 2.22 -0.04 0.00 -3.07 0.00 0.00 36.82 36.00 2k2i h ILE 146 CO -0.01 0.33 0.43 0.44 -0.69 0.00 0.00 178.15 178.64 2k2i h ASP 147 N -0.48 0.58 0.21 1.72 3.32 -0.59 -2.38 116.42 118.80 2k2i h ASP 147 Ca 0.00 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.04 2k2i h ASP 147 Cb 0.54 -0.12 0.00 0.00 0.22 0.00 0.00 39.33 39.97 2k2i h ASP 147 CO 0.00 0.38 -0.10 -0.08 -1.72 0.00 0.00 179.24 177.72 2k2i h GLU 148 N 0.66 -0.27 0.06 3.56 4.22 -0.73 -3.38 114.58 118.70 2k2i h GLU 148 Ca 0.28 0.02 -0.24 0.00 0.08 0.00 0.00 59.36 59.50 2k2i h GLU 148 Cb 0.24 0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.54 2k2i h GLU 148 CO -0.08 -0.13 -1.10 0.00 -2.18 0.00 0.00 179.01 175.52 2k2i h ALA 149 N 0.43 0.25 -2.08 2.92 0.00 -1.29 -3.42 119.26 116.08 2k2i h ALA 149 Ca -0.03 -0.89 -0.57 0.00 0.00 0.00 0.00 54.91 53.42 2k2i h ALA 149 Cb 0.27 -0.08 -0.05 0.00 0.00 0.00 0.00 17.79 17.93 2k2i h ALA 149 CO 0.05 1.12 0.90 0.34 0.00 0.00 0.00 179.25 181.65 2k2i s ASP 150 N -6.91 6.90 0.00 0.00 -1.08 -1.15 -4.85 116.67 109.58 2k2i s ASP 150 Ca -0.01 1.48 0.04 0.00 -0.52 0.00 0.00 52.55 53.54 2k2i s ASP 150 Cb 0.09 -2.54 0.09 0.00 -1.46 0.00 0.00 42.92 39.10 2k2i s ASP 150 CO 0.85 -0.83 0.95 0.54 0.52 0.00 0.00 175.17 177.19 2k2i n ARG 151 N 6.76 1.86 0.00 4.34 5.12 -1.26 -4.79 116.66 128.68 2k2i n ARG 151 Ca 0.14 -1.40 0.00 0.00 -1.93 0.00 0.00 57.85 54.65 2k2i n ARG 151 Cb 0.46 -1.10 0.00 0.00 -1.16 0.00 0.00 32.46 30.66 2k2i n ARG 151 CO 0.00 0.00 0.00 -0.25 -1.93 0.00 0.00 177.63 175.45 2k2i n ASP 152 N 0.01 2.03 0.00 0.55 9.92 -1.26 -5.08 116.55 122.72 2k2i n ASP 152 Ca 0.04 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.30 2k2i n ASP 152 Cb 0.25 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.73 2k2i n ASP 152 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2k2i n GLY 153 N 2.83 0.60 0.65 0.44 0.00 -1.26 -5.08 105.19 103.37 2k2i n GLY 153 Ca 0.00 -0.75 -0.11 0.00 0.00 0.00 0.00 46.02 45.15 2k2i n GLY 153 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2k2i n ASP 154 N 0.00 0.84 0.00 1.61 2.03 -1.26 -5.04 116.55 114.73 2k2i n ASP 154 Ca 0.00 0.12 0.00 0.00 0.52 0.00 0.00 54.79 55.43 2k2i n ASP 154 Cb 0.00 -0.31 0.00 0.00 -0.72 0.00 0.00 41.12 40.09 2k2i n ASP 154 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2k2i n GLY 155 N 2.35 1.51 3.65 0.27 0.00 -1.26 -5.07 105.19 106.64 2k2i n GLY 155 Ca -0.21 -0.32 -0.30 0.00 0.00 0.00 0.00 46.02 45.20 2k2i n GLY 155 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2k2i s GLU 156 N 0.00 2.10 -0.33 1.61 2.02 -1.26 -4.85 118.70 117.99 2k2i s GLU 156 Ca 0.00 -2.33 -0.06 0.00 0.02 0.00 0.00 54.97 52.60 2k2i s GLU 156 Cb 0.00 -1.01 0.04 0.00 0.10 0.00 0.00 34.13 33.26 2k2i s GLU 156 CO 0.00 -0.47 0.08 0.08 0.02 0.00 0.00 175.26 174.97 2k2i s VAL 157 N -3.04 3.65 0.72 2.63 1.01 -0.61 -4.65 120.40 120.11 2k2i s VAL 157 Ca 0.12 -1.14 -0.05 0.00 0.00 0.00 0.00 61.98 60.92 2k2i s VAL 157 Cb 0.01 -3.06 0.15 0.00 0.00 0.00 0.00 36.38 33.48 2k2i s VAL 157 CO 0.08 -0.14 0.98 -1.54 0.00 0.00 0.00 175.10 174.48 2k2i n SER 158 N 4.78 0.86 -0.05 3.32 3.41 -1.26 0.32 113.62 124.99 2k2i n SER 158 Ca -0.13 -1.83 -0.07 0.00 -0.26 0.00 0.00 58.87 56.58 2k2i n SER 158 Cb 0.45 -0.68 0.11 0.00 -0.26 0.00 0.00 64.21 63.83 2k2i n SER 158 CO 0.00 0.00 0.00 1.05 -0.16 0.00 0.00 175.04 175.93 2k2i h GLU 159 N 0.00 0.68 -0.80 4.33 4.11 -2.00 -1.87 114.58 119.04 2k2i h GLU 159 Ca -0.32 -0.29 -0.04 0.00 0.07 0.00 0.00 59.36 58.78 2k2i h GLU 159 Cb 1.08 -0.02 -0.04 0.00 0.50 0.00 0.00 28.75 30.27 2k2i h GLU 159 CO 0.30 0.88 0.33 -0.56 0.07 0.00 0.00 179.01 180.03 2k2i h GLN 160 N 0.59 1.18 -0.20 1.06 3.07 -1.96 0.27 115.11 119.12 2k2i h GLN 160 Ca 0.08 -0.21 -0.01 0.00 0.09 0.00 0.00 58.65 58.60 2k2i h GLN 160 Cb 0.77 -0.20 -0.01 0.00 0.08 0.00 0.00 27.48 28.12 2k2i h GLN 160 CO 0.06 0.95 0.09 0.93 0.09 0.00 0.00 178.83 180.95 2k2i h GLU 161 N 1.16 0.29 -0.05 0.06 3.07 -1.84 0.26 114.58 117.53 2k2i h GLU 161 Ca 0.27 -0.04 0.00 0.00 -0.50 0.00 0.00 59.36 59.08 2k2i h GLU 161 Cb 0.20 -0.05 -0.00 0.00 -0.84 0.00 0.00 28.75 28.05 2k2i h GLU 161 CO -0.02 0.32 0.03 0.35 -1.40 0.00 0.00 179.01 178.29 2k2i h PHE 162 N 0.19 0.06 -0.39 4.33 3.57 -1.06 0.09 116.94 123.73 2k2i h PHE 162 Ca 0.07 0.00 0.04 0.00 3.53 0.00 0.00 57.97 61.61 2k2i h PHE 162 Cb 0.13 -0.02 -0.04 0.00 2.79 0.00 0.00 35.95 38.81 2k2i h PHE 162 CO -0.02 0.05 0.16 -0.07 -2.23 0.00 0.00 178.31 176.20 2k2i h LEU 163 N 0.05 0.20 0.18 0.59 3.38 -0.37 -0.95 115.31 118.39 2k2i h LEU 163 Ca 0.02 0.03 0.01 0.00 0.09 0.00 0.00 57.88 58.03 2k2i h LEU 163 Cb 0.00 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.73 2k2i h LEU 163 CO -0.00 0.15 -0.31 -0.09 0.09 0.00 0.00 178.44 178.28 2k2i h ARG 164 N 0.33 -0.54 -0.37 1.13 2.43 -0.26 0.18 114.38 117.28 2k2i h ARG 164 Ca 0.17 0.04 -0.11 0.00 -0.81 0.00 0.00 59.98 59.27 2k2i h ARG 164 Cb 0.13 0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 29.78 2k2i h ARG 164 CO -0.16 -0.36 -0.21 -0.84 -1.51 0.00 0.00 179.97 176.89 2k2i h ILE 165 N -0.56 1.27 -0.27 1.20 3.07 -0.92 0.14 117.51 121.44 2k2i h ILE 165 Ca 0.02 -1.29 -0.10 0.00 1.55 0.00 0.00 64.86 65.03 2k2i h ILE 165 Cb 0.57 1.21 -0.01 0.00 -0.27 0.00 0.00 36.82 38.32 2k2i h ILE 165 CO -0.14 0.43 -0.22 0.24 -1.05 0.00 0.00 178.15 177.41 2k2i h MET 166 N 0.63 0.62 -0.31 0.16 2.86 -1.09 -2.73 114.93 115.07 2k2i h MET 166 Ca 0.09 -0.31 -0.10 0.00 -2.06 0.00 0.00 59.70 57.32 2k2i h MET 166 Cb 0.70 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.34 2k2i h MET 166 CO 0.05 0.90 -0.21 -0.22 1.06 0.00 0.00 176.91 178.50 2k2i h LYS 167 N 0.35 0.58 -0.98 1.72 3.64 -0.55 -2.64 116.57 118.69 2k2i h LYS 167 Ca 0.05 -0.21 0.14 0.00 -1.27 0.00 0.00 60.65 59.36 2k2i h LYS 167 Cb 0.77 -0.04 -0.09 0.00 -0.41 0.00 0.00 32.23 32.46 2k2i h LYS 167 CO 0.06 0.76 0.60 -0.22 -2.27 0.00 0.00 179.45 178.37 2k2i h LYS 168 N 0.52 0.86 -3.46 1.90 3.64 -0.67 -3.15 116.57 116.21 2k2i h LYS 168 Ca 0.08 -0.05 -0.69 0.00 -1.27 0.00 0.00 60.65 58.72 2k2i h LYS 168 Cb 0.65 -0.19 -0.01 0.00 -0.41 0.00 0.00 32.23 32.27 2k2i h LYS 168 CO 0.05 0.57 3.51 2.41 -2.27 0.00 0.00 179.45 183.71 2k2i n THR 169 N -4.69 3.93 -2.50 1.00 -1.04 -0.99 -4.07 114.28 105.92 2k2i n THR 169 Ca 0.20 -2.81 -0.30 0.00 -2.04 0.00 0.00 64.05 59.10 2k2i n THR 169 Cb 0.42 -2.61 -0.00 0.00 -1.82 0.00 0.00 70.33 66.32 2k2i n THR 169 CO 0.00 0.00 0.00 -1.20 -0.64 0.00 0.00 175.07 173.23 2k2i n SER 170 N 4.73 5.26 -1.72 8.00 7.64 -1.19 -4.79 113.62 131.55 2k2i n SER 170 Ca 0.66 -3.73 -0.05 0.00 1.01 0.00 0.00 58.87 56.76 2k2i n SER 170 Cb 0.30 -0.62 0.02 0.00 -1.01 0.00 0.00 64.21 62.91 2k2i n SER 170 CO 0.00 0.00 0.00 -0.11 -3.01 0.00 0.00 175.04 171.92 2k2i n LEU 171 N -0.42 -2.63 0.00 -3.43 7.94 -1.26 -5.20 117.00 112.01 2k2i n LEU 171 Ca 0.40 -0.18 0.00 0.00 -1.11 0.00 0.00 56.01 55.12 2k2i n LEU 171 Cb 0.51 -1.24 0.00 0.00 0.53 0.00 0.00 43.42 43.22 2k2i n LEU 171 CO 0.37 0.10 0.00 0.00 -1.11 0.00 0.00 177.39 176.75