#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kkx h GLN 91 N 0.00 1.04 -0.65 1.43 7.50 -1.94 -2.44 115.11 120.04 2kkx h GLN 91 Ca 0.00 -0.06 0.11 0.00 0.50 0.00 0.00 58.65 59.20 2kkx h GLN 91 Cb 0.00 -0.23 -0.08 0.00 0.05 0.00 0.00 27.48 27.22 2kkx h GLN 91 CO 0.00 0.69 0.24 1.05 -1.50 0.00 0.00 178.83 179.31 2kkx h GLU 92 N 1.07 0.40 -0.58 1.46 4.11 -1.99 -0.15 114.58 118.90 2kkx h GLU 92 Ca 0.37 -0.02 -0.09 0.00 0.07 0.00 0.00 59.36 59.68 2kkx h GLU 92 Cb 0.08 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.22 2kkx h GLU 92 CO -0.14 0.26 -0.01 1.03 0.07 0.00 0.00 179.01 180.22 2kkx h SER 93 N 0.41 0.99 -0.18 3.06 0.87 -1.89 -2.69 113.55 114.12 2kkx h SER 93 Ca 0.34 -0.28 -0.07 0.00 -1.23 0.00 0.00 61.79 60.55 2kkx h SER 93 Cb 0.46 -0.27 -0.00 0.00 -0.44 0.00 0.00 62.40 62.15 2kkx h SER 93 CO -0.34 1.05 -0.16 0.40 -0.53 0.00 0.00 176.83 177.24 2kkx h ILE 94 N 0.92 1.33 -0.50 2.23 2.04 -1.25 -2.27 117.51 120.02 2kkx h ILE 94 Ca 0.17 -1.31 0.02 0.00 1.00 0.00 0.00 64.86 64.74 2kkx h ILE 94 Cb 0.55 1.78 -0.03 0.00 -0.74 0.00 0.00 36.82 38.38 2kkx h ILE 94 CO 0.03 0.39 0.30 1.56 0.00 0.00 0.00 178.15 180.44 2kkx h GLN 95 N 0.09 0.59 -0.92 2.37 1.08 -1.01 0.33 115.11 117.65 2kkx h GLN 95 Ca 0.03 -0.04 0.01 0.00 -1.45 0.00 0.00 58.65 57.21 2kkx h GLN 95 Cb 0.69 -0.13 -0.05 0.00 -0.05 0.00 0.00 27.48 27.94 2kkx h GLN 95 CO 0.04 0.39 0.61 -0.91 -0.95 0.00 0.00 178.83 178.01 2kkx h ASN 96 N 0.61 1.04 -0.43 1.46 2.35 -1.49 -2.40 115.58 116.72 2kkx h ASN 96 Ca 0.20 -0.02 -0.02 0.00 -0.55 0.00 0.00 56.30 55.90 2kkx h ASN 96 Cb 0.01 -0.26 -0.02 0.00 0.05 0.00 0.00 38.32 38.10 2kkx h ASN 96 CO -0.08 0.75 0.19 0.11 -1.65 0.00 0.00 177.43 176.74 2kkx h LYS 97 N 1.23 0.63 -0.89 0.81 6.56 -0.69 -2.29 116.57 121.93 2kkx h LYS 97 Ca 0.34 -0.10 -0.00 0.00 -1.06 0.00 0.00 60.65 59.83 2kkx h LYS 97 Cb -0.12 -0.11 -0.04 0.00 -0.57 0.00 0.00 32.23 31.39 2kkx h LYS 97 CO -0.08 0.56 0.56 0.82 -2.06 0.00 0.00 179.45 179.25 2kkx h ILE 98 N 0.55 1.24 -0.69 1.86 2.04 -0.77 0.32 117.51 122.06 2kkx h ILE 98 Ca 0.14 -0.50 -0.07 0.00 1.00 0.00 0.00 64.86 65.43 2kkx h ILE 98 Cb 0.16 -0.04 -0.03 0.00 -0.74 0.00 0.00 36.82 36.17 2kkx h ILE 98 CO -0.01 0.25 0.14 -1.28 0.00 0.00 0.00 178.15 177.25 2kkx h SER 99 N 1.23 1.07 1.04 1.72 0.87 -1.28 -2.22 113.55 115.98 2kkx h SER 99 Ca 0.32 -0.25 -0.18 0.00 -1.23 0.00 0.00 61.79 60.46 2kkx h SER 99 Cb -0.08 -0.28 -0.03 0.00 -0.44 0.00 0.00 62.40 61.57 2kkx h SER 99 CO -0.06 1.04 -1.01 1.56 -0.53 0.00 0.00 176.83 177.83 2kkx h GLN 100 N 1.06 0.00 0.00 2.24 1.08 -0.77 -3.36 115.11 115.35 2kkx h GLN 100 Ca 0.21 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.41 2kkx h GLN 100 Cb 0.41 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.84 2kkx h GLN 100 CO 0.01 0.60 -0.96 0.00 -0.95 0.00 0.00 178.83 177.53 2kkx s LYS 102 N -3.10 1.85 0.04 0.00 -2.85 -0.84 -4.08 119.74 110.76 2kkx s LYS 102 Ca 0.06 0.64 -0.18 0.00 -1.00 0.00 0.00 55.97 55.50 2kkx s LYS 102 Cb 0.16 -1.89 0.04 0.00 -2.06 0.00 0.00 37.83 34.07 2kkx s LYS 102 CO 0.81 -1.78 0.41 -0.59 0.10 0.00 0.00 175.35 174.30 2kkx s PHE 103 N -3.12 -0.26 -0.55 1.78 -0.71 -0.56 -4.93 117.98 109.62 2kkx s PHE 103 Ca 0.61 0.23 -0.28 0.00 -1.04 0.00 0.00 56.93 56.46 2kkx s PHE 103 Cb -0.15 0.22 0.01 0.00 -1.21 0.00 0.00 43.02 41.88 2kkx s PHE 103 CO 0.55 -0.57 1.45 -1.54 -1.34 0.00 0.00 175.22 173.77 2kkx s SER 104 N -1.98 6.07 0.16 1.98 1.04 -1.26 -1.59 113.70 118.12 2kkx s SER 104 Ca -0.05 0.34 -0.31 0.00 0.48 0.00 0.00 55.95 56.40 2kkx s SER 104 Cb -0.01 -2.54 -0.09 0.00 0.10 0.00 0.00 66.02 63.47 2kkx s SER 104 CO -0.02 -1.74 1.48 -0.69 0.98 0.00 0.00 173.24 173.25 2kkx s VAL 105 N 6.24 2.87 -0.65 5.02 1.01 -0.15 -4.97 120.40 129.78 2kkx s VAL 105 Ca 0.54 0.64 0.05 0.00 0.00 0.00 0.00 61.98 63.21 2kkx s VAL 105 Cb -0.11 -3.41 0.16 0.00 0.00 0.00 0.00 36.38 33.02 2kkx s VAL 105 CO 0.25 0.06 0.45 0.00 0.00 0.00 0.00 175.10 175.86 2kkx h PRO 107 N 5.58 0.55 -0.41 0.00 0.11 -1.95 -0.49 132.00 135.40 2kkx h PRO 107 Ca 0.13 -0.03 -0.00 0.00 0.11 0.00 0.00 66.00 66.20 2kkx h PRO 107 Cb 0.79 -0.12 -0.02 0.00 0.11 0.00 0.00 31.00 31.76 2kkx h PRO 107 CO 0.67 0.36 0.24 1.05 -0.21 0.00 0.00 178.00 180.12 2kkx h GLU 108 N 0.56 0.56 0.03 1.05 4.11 -1.94 -2.47 114.58 116.48 2kkx h GLU 108 Ca 0.63 -0.05 -0.26 0.00 0.07 0.00 0.00 59.36 59.75 2kkx h GLU 108 Cb 1.25 -0.12 -0.03 0.00 0.50 0.00 0.00 28.75 30.36 2kkx h GLU 108 CO -0.42 0.42 -1.31 0.00 0.07 0.00 0.00 179.01 177.77 2kkx h ARG 109 N 0.54 0.07 0.00 1.06 3.08 -1.70 -3.20 114.38 114.22 2kkx h ARG 109 Ca 0.15 -0.12 0.00 0.00 0.07 0.00 0.00 59.98 60.07 2kkx h ARG 109 Cb 0.01 0.05 0.00 0.00 0.08 0.00 0.00 29.97 30.10 2kkx h ARG 109 CO -0.03 0.91 0.00 -0.07 -1.07 0.00 0.00 179.97 179.72 2kkx h LEU 110 N 0.02 0.00 0.00 3.04 3.38 -1.11 -3.46 115.31 117.18 2kkx h LEU 110 Ca -0.14 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.83 2kkx h LEU 110 Cb 1.90 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.65 2kkx h LEU 110 CO 0.13 0.00 0.00 0.00 0.09 0.00 0.00 178.44 178.66 2kkx n GLN 111 N -2.87 -0.33 -3.37 1.13 1.13 -0.93 -4.98 117.38 107.16 2kkx n GLN 111 Ca 0.01 0.08 -0.38 0.00 -1.94 0.00 0.00 57.00 54.77 2kkx n GLN 111 Cb 0.29 -3.87 -0.06 0.00 0.11 0.00 0.00 30.24 26.71 2kkx n GLN 111 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2kkx n PRO 113 N 3.08 -0.22 -0.25 0.00 -0.04 -1.26 -4.75 135.00 131.55 2kkx n PRO 113 Ca -0.09 0.00 0.03 0.00 -0.04 0.00 0.00 63.50 63.40 2kkx n PRO 113 Cb 0.52 -2.27 0.16 0.00 -0.04 0.00 0.00 33.50 31.87 2kkx n PRO 113 CO 0.00 0.00 0.00 -0.07 -0.04 0.00 0.00 175.50 175.39 2kkx h LEU 114 N -1.50 0.42 -1.16 1.53 3.38 -1.97 -1.03 115.31 114.97 2kkx h LEU 114 Ca -0.44 0.08 0.04 0.00 0.09 0.00 0.00 57.88 57.65 2kkx h LEU 114 Cb 1.28 0.02 -0.05 0.00 0.09 0.00 0.00 40.66 42.00 2kkx h LEU 114 CO 0.41 0.21 0.58 1.05 0.09 0.00 0.00 178.44 180.78 2kkx h GLU 115 N 0.56 1.03 0.00 1.13 4.11 -1.96 0.13 114.58 119.59 2kkx h GLU 115 Ca 0.38 -0.06 0.00 0.00 0.07 0.00 0.00 59.36 59.75 2kkx h GLU 115 Cb 0.47 -0.23 0.00 0.00 0.50 0.00 0.00 28.75 29.49 2kkx h GLU 115 CO -0.32 0.68 0.00 0.00 0.07 0.00 0.00 179.01 179.45 2kkx h ALA 116 N 1.50 1.00 0.00 1.06 0.00 -1.53 -2.74 119.26 118.55 2kkx h ALA 116 Ca 0.36 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.27 2kkx h ALA 116 Cb 0.08 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.87 2kkx h ALA 116 CO -0.11 0.00 -0.03 0.44 0.00 0.00 0.00 179.25 179.55 2kkx n ILE 117 N -3.09 0.73 -1.93 0.00 -5.35 -1.03 -4.87 119.36 103.82 2kkx n ILE 117 Ca 0.00 -0.77 -0.42 0.00 -0.27 0.00 0.00 62.75 61.30 2kkx n ILE 117 Cb 0.27 0.58 -0.03 0.00 -1.74 0.00 0.00 39.64 38.72 2kkx n ILE 117 CO 0.00 0.00 0.00 -1.58 -1.76 0.00 0.00 176.55 173.21 2kkx s GLN 118 N -0.83 4.22 -0.27 6.28 0.74 0.43 -4.34 119.66 125.89 2kkx s GLN 118 Ca 0.03 2.38 -0.29 0.00 0.05 0.00 0.00 55.36 57.54 2kkx s GLN 118 Cb 0.03 -3.12 -0.03 0.00 1.10 0.00 0.00 33.01 31.00 2kkx s GLN 118 CO 0.00 -0.55 1.78 0.00 -0.55 0.00 0.00 175.29 175.97 2kkx n PRO 120 N 8.18 0.45 -0.06 0.00 -0.04 -1.26 -1.03 135.00 141.24 2kkx n PRO 120 Ca 0.22 0.05 -0.09 0.00 -0.04 0.00 0.00 63.50 63.65 2kkx n PRO 120 Cb 0.46 -1.50 -0.08 0.00 -0.04 0.00 0.00 33.50 32.34 2kkx n PRO 120 CO 0.00 0.00 0.00 0.82 -0.04 0.00 0.00 175.50 176.28 2kkx h ILE 121 N 0.00 1.07 -0.02 0.52 2.04 -1.93 -3.40 117.51 115.79 2kkx h ILE 121 Ca 0.00 -1.78 0.00 0.00 1.00 0.00 0.00 64.86 64.08 2kkx h ILE 121 Cb 0.12 2.01 0.00 0.00 -0.74 0.00 0.00 36.82 38.22 2kkx h ILE 121 CO 0.00 0.36 -0.40 0.35 0.00 0.00 0.00 178.15 178.46 2kkx n THR 122 N -4.69 0.00 -2.79 -0.27 -2.24 -1.13 -4.98 114.28 98.18 2kkx n THR 122 Ca -0.06 -0.30 -0.22 0.00 -2.27 0.00 0.00 64.05 61.20 2kkx n THR 122 Cb 0.29 1.27 0.02 0.00 -2.10 0.00 0.00 70.33 69.81 2kkx n THR 122 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 2kkx n LEU 123 N 0.11 -2.43 -3.83 3.22 7.99 -0.19 -4.98 117.00 116.90 2kkx n LEU 123 Ca 0.09 -0.19 -0.11 0.00 -0.01 0.00 0.00 56.01 55.79 2kkx n LEU 123 Cb 0.46 -2.95 -0.08 0.00 -0.11 0.00 0.00 43.42 40.74 2kkx n LEU 123 CO 0.25 0.07 -0.08 -1.83 -1.51 0.00 0.00 177.39 174.30 2kkx s GLU 124 N -5.46 0.67 -0.03 3.23 -1.05 -1.22 -4.99 118.70 109.86 2kkx s GLU 124 Ca 0.19 -0.53 -0.30 0.00 -0.15 0.00 0.00 54.97 54.19 2kkx s GLU 124 Cb -0.09 0.28 -0.05 0.00 -0.44 0.00 0.00 34.13 33.84 2kkx s GLU 124 CO 0.24 -0.19 1.42 -1.14 0.95 0.00 0.00 175.26 176.54 2kkx s GLN 125 N -2.24 4.26 0.57 -4.83 -0.44 -1.26 -1.09 119.66 114.63 2kkx s GLN 125 Ca -0.08 1.97 -0.16 0.00 -2.50 0.00 0.00 55.36 54.59 2kkx s GLN 125 Cb -0.03 -3.65 -0.05 0.00 -1.64 0.00 0.00 33.01 27.64 2kkx s GLN 125 CO -0.02 -0.63 1.03 -1.25 0.50 0.00 0.00 175.29 174.92 2kkx s PRO 126 N 2.76 3.54 0.02 1.67 0.04 -1.26 -4.89 135.00 136.88 2kkx s PRO 126 Ca 0.64 1.12 -0.04 0.00 0.04 0.00 0.00 61.00 62.76 2kkx s PRO 126 Cb -0.31 -2.07 -0.28 0.00 0.04 0.00 0.00 34.50 31.88 2kkx s PRO 126 CO 0.26 -0.62 0.92 1.05 0.04 0.00 0.00 177.00 178.64 2kkx h GLU 127 N 0.61 0.27 -3.94 4.56 4.11 -1.95 -3.43 114.58 114.81 2kkx h GLU 127 Ca -0.47 -0.46 -0.28 0.00 0.07 0.00 0.00 59.36 58.23 2kkx h GLU 127 Cb 1.21 0.17 -0.29 0.00 0.50 0.00 0.00 28.75 30.34 2kkx h GLU 127 CO 0.59 1.15 -0.74 -1.59 0.07 0.00 0.00 179.01 178.49 2kkx s LYS 128 N -2.62 0.18 0.10 1.06 -2.85 -1.26 -0.97 119.74 113.37 2kkx s LYS 128 Ca -0.08 -0.06 -0.23 0.00 -1.00 0.00 0.00 55.97 54.60 2kkx s LYS 128 Cb 0.07 -0.20 0.06 0.00 -2.06 0.00 0.00 37.83 35.70 2kkx s LYS 128 CO 0.86 0.03 0.56 0.20 0.10 0.00 0.00 175.35 177.10 2kkx s GLY 129 N 0.07 -0.52 0.21 0.59 0.00 -0.62 -1.54 107.32 105.51 2kkx s GLY 129 Ca -0.00 0.54 0.09 0.00 0.00 0.00 0.00 44.72 45.35 2kkx s GLY 129 CO -0.00 0.23 -0.05 -0.26 0.00 0.00 0.00 173.10 173.02 2kkx s ILE 130 N -3.10 3.39 -0.32 0.90 -4.36 0.46 -1.50 121.20 116.66 2kkx s ILE 130 Ca -0.02 -1.70 -0.13 0.00 -0.26 0.00 0.00 60.65 58.54 2kkx s ILE 130 Cb -0.00 -2.73 -0.03 0.00 1.25 0.00 0.00 42.46 40.95 2kkx s ILE 130 CO -0.07 -0.20 0.27 -0.36 0.24 0.00 0.00 174.94 174.82 2kkx s PHE 131 N -1.92 3.22 -0.18 1.37 0.08 -1.23 -1.18 117.98 118.14 2kkx s PHE 131 Ca 0.28 -0.02 -0.00 0.00 0.12 0.00 0.00 56.93 57.30 2kkx s PHE 131 Cb -0.08 -2.52 0.00 0.00 -0.57 0.00 0.00 43.02 39.86 2kkx s PHE 131 CO 0.17 -0.32 -0.14 0.08 -0.10 0.00 0.00 175.22 174.91 2kkx s VAL 132 N 1.85 2.63 -0.33 -0.44 1.01 -0.86 -1.03 120.40 123.22 2kkx s VAL 132 Ca 0.09 -0.76 -0.29 0.00 0.00 0.00 0.00 61.98 61.02 2kkx s VAL 132 Cb -0.17 -2.13 -0.01 0.00 0.00 0.00 0.00 36.38 34.07 2kkx s VAL 132 CO 0.11 0.50 1.70 -1.59 0.00 0.00 0.00 175.10 175.82 2kkx s LYS 133 N 1.13 3.44 -1.07 2.72 -2.85 0.78 -1.89 119.74 122.01 2kkx s LYS 133 Ca 0.01 1.36 -0.26 0.00 -1.00 0.00 0.00 55.97 56.08 2kkx s LYS 133 Cb -0.14 -4.14 -0.21 0.00 -2.06 0.00 0.00 37.83 31.27 2kkx s LYS 133 CO -0.05 -1.73 2.13 1.21 0.10 0.00 0.00 175.35 177.01 2kkx s ASN 134 N 5.43 3.54 -0.00 0.03 2.47 0.12 -4.80 114.94 121.72 2kkx s ASN 134 Ca 0.75 -0.93 -0.02 0.00 0.42 0.00 0.00 52.86 53.07 2kkx s ASN 134 Cb -0.21 -2.59 -0.01 0.00 -1.45 0.00 0.00 41.25 36.98 2kkx s ASN 134 CO 0.33 -4.62 0.56 -1.28 -3.72 0.00 0.00 177.10 168.37 2kkx h SER 135 N 11.60 -0.07 -0.58 -4.21 0.87 -1.91 0.29 113.55 119.53 2kkx h SER 135 Ca 0.02 0.00 0.04 0.00 -1.23 0.00 0.00 61.79 60.63 2kkx h SER 135 Cb 0.99 0.02 -0.03 0.00 -0.44 0.00 0.00 62.40 62.94 2kkx h SER 135 CO 1.02 -0.02 0.39 -0.78 -0.53 0.00 0.00 176.83 176.91 2kkx h ASP 136 N -0.14 0.55 0.51 6.23 3.58 -1.99 -2.17 116.42 122.99 2kkx h ASP 136 Ca -0.01 -0.00 -0.03 0.00 0.42 0.00 0.00 57.03 57.41 2kkx h ASP 136 Cb 0.07 -0.12 0.01 0.00 1.72 0.00 0.00 39.33 41.00 2kkx h ASP 136 CO 0.01 0.37 -0.25 1.23 -2.88 0.00 0.00 179.24 177.73 2kkx h GLY 137 N 0.63 -0.72 0.00 -0.78 0.00 -1.94 -3.45 103.07 96.82 2kkx h GLY 137 Ca 0.24 0.27 0.00 0.00 0.00 0.00 0.00 47.33 47.84 2kkx h GLY 137 CO -0.07 -0.26 0.00 1.44 0.00 0.00 0.00 176.54 177.65 2kkx n SER 138 N -4.52 0.00 -1.60 0.19 7.64 -0.70 -5.01 113.62 109.62 2kkx n SER 138 Ca -0.09 -1.00 -0.19 0.00 1.01 0.00 0.00 58.87 58.61 2kkx n SER 138 Cb 0.27 0.00 -0.06 0.00 -1.01 0.00 0.00 64.21 63.41 2kkx n SER 138 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 2kkx n ASP 139 N 0.00 -5.27 -4.58 6.43 2.03 0.93 -4.99 116.55 111.11 2kkx n ASP 139 Ca 0.00 0.34 -0.34 0.00 0.52 0.00 0.00 54.79 55.31 2kkx n ASP 139 Cb 0.35 -4.38 -0.11 0.00 -0.72 0.00 0.00 41.12 36.27 2kkx n ASP 139 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 2kkx s VAL 140 N -2.75 4.43 -0.09 5.18 1.01 -1.02 -4.68 120.40 122.48 2kkx s VAL 140 Ca 0.00 -0.16 -0.26 0.00 0.00 0.00 0.00 61.98 61.56 2kkx s VAL 140 Cb 0.00 -2.97 -0.03 0.00 0.00 0.00 0.00 36.38 33.38 2kkx s VAL 140 CO 0.00 0.48 0.82 0.00 0.00 0.00 0.00 175.10 176.39 2kkx s THR 142 N 1.34 1.56 -0.55 0.00 2.01 -0.79 -4.34 115.64 114.86 2kkx s THR 142 Ca 0.41 -1.28 -0.23 0.00 0.31 0.00 0.00 61.69 60.90 2kkx s THR 142 Cb -0.18 -1.39 0.05 0.00 0.01 0.00 0.00 72.50 70.99 2kkx s THR 142 CO 0.18 0.06 0.87 -0.22 -0.69 0.00 0.00 174.62 174.83 2kkx s LEU 143 N -1.44 4.32 -0.04 4.42 2.96 -1.26 -2.03 118.68 125.62 2kkx s LEU 143 Ca 0.06 -0.53 -0.06 0.00 -0.22 0.00 0.00 54.13 53.38 2kkx s LEU 143 Cb -0.09 -2.71 -0.04 0.00 0.50 0.00 0.00 46.19 43.84 2kkx s LEU 143 CO 0.03 -1.17 0.22 -0.36 -1.32 0.00 0.00 176.35 173.75 2kkx s PHE 144 N 3.66 3.59 0.29 5.38 0.40 -0.32 -3.77 117.98 127.20 2kkx s PHE 144 Ca 0.26 0.53 -0.30 0.00 -0.60 0.00 0.00 56.93 56.83 2kkx s PHE 144 Cb -0.14 -1.95 -0.11 0.00 0.51 0.00 0.00 43.02 41.33 2kkx s PHE 144 CO 0.17 0.66 1.47 0.34 0.70 0.00 0.00 175.22 178.56 2kkx s ASP 145 N -1.52 6.55 0.11 1.36 -1.08 -1.26 -0.40 116.67 120.43 2kkx s ASP 145 Ca 0.23 2.80 -0.22 0.00 -0.52 0.00 0.00 52.55 54.84 2kkx s ASP 145 Cb -0.13 -2.64 -0.09 0.00 -1.46 0.00 0.00 42.92 38.61 2kkx s ASP 145 CO 0.13 -0.76 1.71 0.00 0.52 0.00 0.00 175.17 176.77 2kkx h ALA 146 N 4.50 0.02 -0.03 3.66 0.00 -1.57 -0.87 119.26 124.96 2kkx h ALA 146 Ca -0.47 0.03 -0.15 0.00 0.00 0.00 0.00 54.91 54.32 2kkx h ALA 146 Cb 1.22 0.10 -0.01 0.00 0.00 0.00 0.00 17.79 19.10 2kkx h ALA 146 CO 0.75 -0.52 -0.66 0.00 0.00 0.00 0.00 179.25 178.82 2kkx h ALA 147 N 1.02 0.83 -0.16 0.00 0.00 -1.92 -1.91 119.26 117.13 2kkx h ALA 147 Ca 0.05 -0.59 -0.22 0.00 0.00 0.00 0.00 54.91 54.14 2kkx h ALA 147 Cb 0.11 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 17.82 2kkx h ALA 147 CO -0.10 0.79 -0.77 0.00 0.00 0.00 0.00 179.25 179.16 2kkx h ALA 148 N 1.22 0.30 0.03 0.00 0.00 -1.88 -0.95 119.26 117.99 2kkx h ALA 148 Ca -0.01 -0.60 -0.26 0.00 0.00 0.00 0.00 54.91 54.04 2kkx h ALA 148 Cb 1.19 -0.01 0.01 0.00 0.00 0.00 0.00 17.79 18.98 2kkx h ALA 148 CO 0.10 0.68 -1.05 0.35 0.00 0.00 0.00 179.25 179.32 2kkx h PHE 149 N 0.54 0.81 -0.02 0.00 3.57 -1.20 -2.59 116.94 118.06 2kkx h PHE 149 Ca -0.05 -0.47 -0.03 0.00 3.53 0.00 0.00 57.97 60.95 2kkx h PHE 149 Cb 1.41 -0.08 -0.01 0.00 2.79 0.00 0.00 35.95 40.06 2kkx h PHE 149 CO 0.09 1.30 -0.15 1.03 -2.23 0.00 0.00 178.31 178.35 2kkx h SER 150 N 0.28 0.02 0.21 0.41 0.87 -1.38 -1.95 113.55 112.02 2kkx h SER 150 Ca -0.12 -0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.43 2kkx h SER 150 Cb 1.71 -0.01 0.00 0.00 -0.44 0.00 0.00 62.40 63.66 2kkx h SER 150 CO 0.19 0.18 -0.10 -0.09 -0.53 0.00 0.00 176.83 176.48 2kkx h ARG 151 N 0.02 -0.27 -0.58 2.24 9.65 -1.05 -1.74 114.38 122.65 2kkx h ARG 151 Ca 0.00 0.02 0.08 0.00 -1.10 0.00 0.00 59.98 58.98 2kkx h ARG 151 Cb 0.29 0.06 -0.07 0.00 -1.39 0.00 0.00 29.97 28.86 2kkx h ARG 151 CO 0.02 -0.02 0.23 -0.07 2.80 0.00 0.00 179.97 182.93 2kkx h LEU 152 N -0.50 0.25 -0.46 3.80 3.38 -1.04 0.83 115.31 121.58 2kkx h LEU 152 Ca -0.03 0.07 -0.05 0.00 0.09 0.00 0.00 57.88 57.96 2kkx h LEU 152 Cb 0.38 0.04 -0.02 0.00 0.09 0.00 0.00 40.66 41.15 2kkx h LEU 152 CO 0.05 0.16 0.08 0.58 0.09 0.00 0.00 178.44 179.40 2kkx h VAL 153 N 0.42 1.24 0.00 1.22 2.07 -1.43 0.86 116.25 120.64 2kkx h VAL 153 Ca 0.29 -0.88 0.00 0.00 0.82 0.00 0.00 66.70 66.92 2kkx h VAL 153 Cb 0.32 0.93 0.00 0.00 -1.52 0.00 0.00 31.29 31.03 2kkx h VAL 153 CO -0.27 0.31 0.00 1.23 0.02 0.00 0.00 177.57 178.86 2kkx h GLY 154 N 0.62 0.00 0.89 2.17 0.00 -0.47 -2.26 103.07 104.02 2kkx h GLY 154 Ca 0.14 0.00 -0.11 0.00 0.00 0.00 0.00 47.33 47.36 2kkx h GLY 154 CO 0.01 0.00 -1.35 1.18 0.00 0.00 0.00 176.54 176.38 2kkx n GLU 155 N -2.56 0.62 -0.44 4.80 -0.58 0.21 -4.99 120.64 117.70 2kkx n GLU 155 Ca 0.02 0.15 0.00 0.00 -0.42 0.00 0.00 57.16 56.91 2kkx n GLU 155 Cb 0.27 -1.79 0.00 0.00 -0.57 0.00 0.00 31.44 29.36 2kkx n GLU 155 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2kkx n GLY 156 N 1.32 0.76 3.75 0.62 0.00 -0.36 -5.08 105.19 106.20 2kkx n GLY 156 Ca -0.07 -0.17 -0.40 0.00 0.00 0.00 0.00 46.02 45.39 2kkx n GLY 156 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2kkx s LEU 157 N 0.00 4.64 0.00 0.99 1.43 0.15 -5.00 118.68 120.89 2kkx s LEU 157 Ca 0.00 1.91 -0.14 0.00 -1.03 0.00 0.00 54.13 54.87 2kkx s LEU 157 Cb 0.00 -3.58 0.20 0.00 0.03 0.00 0.00 46.19 42.84 2kkx s LEU 157 CO 0.00 0.15 0.83 -0.81 0.23 0.00 0.00 176.35 176.75 2kkx n PRO 158 N 1.59 -2.06 -1.69 1.29 -0.04 -1.26 -4.31 135.00 128.52 2kkx n PRO 158 Ca -0.02 -1.31 -0.43 0.00 -0.04 0.00 0.00 63.50 61.70 2kkx n PRO 158 Cb 0.47 -1.11 -0.03 0.00 -0.04 0.00 0.00 33.50 32.79 2kkx n PRO 158 CO 0.00 0.00 0.00 1.58 -0.04 0.00 0.00 175.50 177.04 2kkx n HIS 159 N -3.92 2.57 0.31 0.54 -0.00 -0.55 -4.88 115.22 109.29 2kkx n HIS 159 Ca 0.11 -0.04 0.13 0.00 -0.00 0.00 0.00 57.72 57.92 2kkx n HIS 159 Cb 0.42 -2.69 0.59 0.00 -0.00 0.00 0.00 29.99 28.31 2kkx n HIS 159 CO 0.00 0.00 0.00 -1.00 -0.00 0.00 0.00 176.34 175.34 2kkx h PRO 160 N 7.91 0.00 0.00 1.57 0.13 -1.92 0.25 132.00 139.94 2kkx h PRO 160 Ca -0.46 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 2kkx h PRO 160 Cb 1.23 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.36 2kkx h PRO 160 CO 0.94 0.00 -0.44 1.28 -0.23 0.00 0.00 178.00 179.55 2kkx n LEU 161 N -2.41 0.97 -0.08 1.56 4.77 -1.26 -4.76 117.00 115.80 2kkx n LEU 161 Ca 0.01 0.24 0.11 0.00 -0.03 0.00 0.00 56.01 56.34 2kkx n LEU 161 Cb 0.17 -0.64 0.12 0.00 -2.33 0.00 0.00 43.42 40.74 2kkx n LEU 161 CO 0.18 -0.41 0.30 1.07 -1.33 0.00 0.00 177.39 177.19 2kkx n THR 162 N -3.49 0.00 -1.66 -5.08 5.66 -1.24 -4.95 114.28 103.52 2kkx n THR 162 Ca -0.06 -0.04 -0.20 0.00 -3.05 0.00 0.00 64.05 60.70 2kkx n THR 162 Cb 0.23 0.62 -0.08 0.00 -1.55 0.00 0.00 70.33 69.55 2kkx n THR 162 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 175.07 172.56 2kkx n ARG 163 N -1.25 -1.41 -2.60 1.09 5.12 0.07 -4.97 116.66 112.72 2kkx n ARG 163 Ca 0.06 1.18 -0.27 0.00 -1.93 0.00 0.00 57.85 56.89 2kkx n ARG 163 Cb 0.35 -5.55 0.01 0.00 -1.16 0.00 0.00 32.46 26.10 2kkx n ARG 163 CO 0.00 0.00 0.00 -1.21 -1.93 0.00 0.00 177.63 174.49 2kkx s GLU 164 N -3.82 3.41 0.00 5.56 0.41 -1.26 -4.56 118.70 118.43 2kkx s GLU 164 Ca 0.00 0.14 -0.30 0.00 -0.41 0.00 0.00 54.97 54.40 2kkx s GLU 164 Cb 0.00 -2.36 -0.07 0.00 -1.78 0.00 0.00 34.13 29.92 2kkx s GLU 164 CO 0.00 -0.30 1.76 -1.25 -0.49 0.00 0.00 175.26 174.98 2kkx s PRO 165 N -4.78 4.17 0.33 0.39 0.04 -1.26 -1.48 135.00 132.41 2kkx s PRO 165 Ca 0.49 2.36 -0.29 0.00 0.04 0.00 0.00 61.00 63.60 2kkx s PRO 165 Cb -0.10 -3.96 -0.10 0.00 0.04 0.00 0.00 34.50 30.37 2kkx s PRO 165 CO 0.45 -0.86 1.35 0.42 0.04 0.00 0.00 177.00 178.40 2kkx s ILE 166 N 3.89 2.60 0.19 0.56 1.01 -1.26 -4.90 121.20 123.28 2kkx s ILE 166 Ca 0.79 0.59 -0.15 0.00 0.00 0.00 0.00 60.65 61.88 2kkx s ILE 166 Cb -0.38 -3.38 0.02 0.00 0.01 0.00 0.00 42.46 38.73 2kkx s ILE 166 CO 0.34 0.14 0.46 0.28 0.00 0.00 0.00 174.94 176.16 2kkx s THR 167 N -1.02 0.03 0.38 2.92 -1.32 -1.26 -5.00 115.64 110.37 2kkx s THR 167 Ca 0.51 -0.99 0.32 0.00 -1.21 0.00 0.00 61.69 60.31 2kkx s THR 167 Cb -0.41 -1.70 0.34 0.00 -1.51 0.00 0.00 72.50 69.22 2kkx s THR 167 CO 0.54 -0.15 2.10 0.00 -2.21 0.00 0.00 174.62 174.89 2kkx h ALA 168 N 2.29 1.16 -0.31 11.08 0.00 -1.91 -2.99 119.26 128.58 2kkx h ALA 168 Ca -0.29 -0.07 -0.08 0.00 0.00 0.00 0.00 54.91 54.47 2kkx h ALA 168 Cb 1.25 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 19.02 2kkx h ALA 168 CO 0.40 0.10 -0.13 1.03 0.00 0.00 0.00 179.25 180.64 2kkx h SER 169 N 0.00 0.66 0.95 0.00 0.87 -1.99 -3.28 113.55 110.76 2kkx h SER 169 Ca -0.00 -0.40 0.00 0.00 -1.23 0.00 0.00 61.79 60.16 2kkx h SER 169 Cb 0.33 -0.18 0.00 0.00 -0.44 0.00 0.00 62.40 62.11 2kkx h SER 169 CO 0.01 0.90 -0.33 2.30 -0.53 0.00 0.00 176.83 179.18 2kkx n ILE 170 N -4.40 0.27 -3.75 2.23 -5.35 -1.14 -4.80 119.36 102.42 2kkx n ILE 170 Ca -0.03 -0.17 -0.37 0.00 -0.27 0.00 0.00 62.75 61.92 2kkx n ILE 170 Cb 0.37 -0.22 -0.07 0.00 -1.74 0.00 0.00 39.64 37.98 2kkx n ILE 170 CO 0.00 0.00 0.00 -0.51 -1.76 0.00 0.00 176.55 174.28 2kkx s ILE 171 N -3.08 5.40 0.28 7.28 2.07 -1.19 -0.16 121.20 131.80 2kkx s ILE 171 Ca 0.10 0.33 0.03 0.00 -1.41 0.00 0.00 60.65 59.70 2kkx s ILE 171 Cb 0.15 -3.49 -0.04 0.00 0.13 0.00 0.00 42.46 39.21 2kkx s ILE 171 CO 0.65 0.54 0.16 0.68 -1.91 0.00 0.00 174.94 175.06 2kkx s VAL 172 N -0.47 0.21 0.48 4.00 -7.23 -0.20 -4.92 120.40 112.27 2kkx s VAL 172 Ca 0.15 -2.00 -0.02 0.00 -1.81 0.00 0.00 61.98 58.30 2kkx s VAL 172 Cb -0.12 -2.52 -0.00 0.00 0.56 0.00 0.00 36.38 34.29 2kkx s VAL 172 CO 0.04 0.00 0.73 -0.54 -0.31 0.00 0.00 175.10 175.02 2kkx s LYS 173 N -3.87 3.08 0.50 4.82 1.02 -1.26 -3.56 119.74 120.46 2kkx s LYS 173 Ca 0.38 -0.32 0.25 0.00 0.02 0.00 0.00 55.97 56.30 2kkx s LYS 173 Cb 0.05 -2.48 1.30 0.00 -0.52 0.00 0.00 37.83 36.18 2kkx s LYS 173 CO 0.17 -0.36 2.01 1.12 -0.92 0.00 0.00 175.35 177.38 2kkx h HIS 174 N 0.26 0.00 0.00 3.18 2.07 -1.87 -2.07 115.15 116.72 2kkx h HIS 174 Ca -0.46 0.00 -0.24 0.00 -2.85 0.00 0.00 60.37 56.82 2kkx h HIS 174 Cb 1.25 0.00 -0.04 0.00 2.57 0.00 0.00 27.41 31.19 2kkx h HIS 174 CO 0.47 0.16 -1.43 1.49 -3.07 0.00 0.00 177.93 175.55 2kkx h GLU 175 N 0.00 0.00 0.00 5.12 4.81 -1.94 -3.37 114.58 119.20 2kkx h GLU 175 Ca -0.00 0.00 -0.13 0.00 -0.13 0.00 0.00 59.36 59.10 2kkx h GLU 175 Cb 0.43 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.79 2kkx h GLU 175 CO 0.02 0.58 -0.74 1.49 -0.73 0.00 0.00 179.01 179.63 2kkx h GLU 176 N 0.00 0.00 -6.17 1.92 4.81 -1.83 -3.44 114.58 109.88 2kkx h GLU 176 Ca -0.19 0.00 -0.57 0.00 -0.13 0.00 0.00 59.36 58.48 2kkx h GLU 176 Cb 1.86 0.00 -0.06 0.00 0.63 0.00 0.00 28.75 31.17 2kkx h GLU 176 CO 0.09 0.51 -0.55 0.00 -0.73 0.00 0.00 179.01 178.33 2kkx s ILE 178 N -1.75 1.08 -0.06 0.00 -0.00 -0.43 -4.78 121.20 115.25 2kkx s ILE 178 Ca 0.32 -1.82 -0.30 0.00 -0.00 0.00 0.00 60.65 58.85 2kkx s ILE 178 Cb -0.10 -1.58 -0.04 0.00 -0.00 0.00 0.00 42.46 40.74 2kkx s ILE 178 CO 0.24 -0.62 1.43 -0.72 -0.00 0.00 0.00 174.94 175.28 2kkx s TYR 179 N -2.76 2.60 -0.31 1.37 1.13 -1.26 -1.07 117.35 117.04 2kkx s TYR 179 Ca 0.10 0.70 -0.08 0.00 -1.41 0.00 0.00 57.07 56.38 2kkx s TYR 179 Cb -0.01 -3.69 0.01 0.00 -1.10 0.00 0.00 41.96 37.17 2kkx s TYR 179 CO 0.01 -2.62 0.11 0.34 -2.51 0.00 0.00 175.55 170.87 2kkx s ASP 180 N 2.33 5.30 0.40 -0.18 -1.08 -0.43 -4.92 116.67 118.08 2kkx s ASP 180 Ca 0.64 -0.70 0.21 0.00 -0.52 0.00 0.00 52.55 52.18 2kkx s ASP 180 Cb -0.29 -1.92 0.29 0.00 -1.46 0.00 0.00 42.92 39.53 2kkx s ASP 180 CO 0.24 -0.21 1.57 -2.24 0.52 0.00 0.00 175.17 175.05 2kkx h ASP 181 N 8.28 0.00 1.16 -0.34 2.03 -1.94 0.21 116.42 125.83 2kkx h ASP 181 Ca -0.31 0.00 -0.14 0.00 -0.73 0.00 0.00 57.03 55.85 2kkx h ASP 181 Cb 1.13 0.00 -0.02 0.00 -0.83 0.00 0.00 39.33 39.61 2kkx h ASP 181 CO 0.61 0.15 -0.88 0.00 -1.03 0.00 0.00 179.24 178.10 2kkx h THR 182 N 0.00 0.83 0.00 1.15 1.03 -1.94 -3.17 112.91 110.81 2kkx h THR 182 Ca -0.00 -2.27 -0.16 0.00 -0.01 0.00 0.00 66.41 63.97 2kkx h THR 182 Cb 1.10 2.33 -0.02 0.00 -1.07 0.00 0.00 68.15 70.49 2kkx h THR 182 CO 0.02 0.47 -0.78 0.03 -0.01 0.00 0.00 175.52 175.25 2kkx h ARG 183 N 0.00 0.00 0.00 0.00 2.47 -1.97 -3.48 114.38 111.41 2kkx h ARG 183 Ca -0.06 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.66 2kkx h ARG 183 Cb 1.50 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.82 2kkx h ARG 183 CO 0.07 0.78 0.00 0.41 0.56 0.00 0.00 179.97 181.78 2kkx n GLY 184 N 1.29 0.50 3.22 0.04 0.00 0.69 -5.01 105.19 105.91 2kkx n GLY 184 Ca 0.01 -0.05 -0.10 0.00 0.00 0.00 0.00 46.02 45.88 2kkx n GLY 184 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2kkx s ASN 185 N -2.05 0.01 0.11 1.61 -0.87 -0.84 -4.97 114.94 107.94 2kkx s ASN 185 Ca 0.00 -0.47 -0.31 0.00 -1.57 0.00 0.00 52.86 50.51 2kkx s ASN 185 Cb 0.00 0.35 -0.09 0.00 -0.02 0.00 0.00 41.25 41.49 2kkx s ASN 185 CO 0.00 -0.69 1.61 -0.36 -2.57 0.00 0.00 177.10 175.09 2kkx s PHE 186 N -3.38 2.72 0.37 2.20 0.40 -1.26 -1.31 117.98 117.72 2kkx s PHE 186 Ca 0.01 0.46 0.05 0.00 -0.60 0.00 0.00 56.93 56.85 2kkx s PHE 186 Cb 0.02 -3.94 -0.03 0.00 0.51 0.00 0.00 43.02 39.58 2kkx s PHE 186 CO -0.08 -3.65 0.19 0.96 0.70 0.00 0.00 175.22 173.33 2kkx s ILE 187 N 1.95 0.34 0.35 0.64 -4.36 -0.24 -0.68 121.20 119.21 2kkx s ILE 187 Ca 0.72 -2.00 -0.25 0.00 -0.26 0.00 0.00 60.65 58.86 2kkx s ILE 187 Cb -0.42 -2.41 -0.10 0.00 1.25 0.00 0.00 42.46 40.78 2kkx s ILE 187 CO 0.32 0.00 0.96 -0.63 0.24 0.00 0.00 174.94 175.83 2kkx s ILE 188 N -3.35 4.18 0.98 8.37 -1.09 -1.26 -1.32 121.20 127.72 2kkx s ILE 188 Ca 0.31 1.70 -0.11 0.00 -2.23 0.00 0.00 60.65 60.32 2kkx s ILE 188 Cb 0.03 -3.89 0.18 0.00 -1.58 0.00 0.00 42.46 37.20 2kkx s ILE 188 CO 0.19 0.04 1.10 -0.54 -1.23 0.00 0.00 174.94 174.50 2kkx s LYS 189 N -2.32 0.50 0.25 2.79 1.02 -1.09 -4.84 119.74 116.05 2kkx s LYS 189 Ca 0.53 1.25 0.00 0.00 0.02 0.00 0.00 55.97 57.77 2kkx s LYS 189 Cb -0.17 -1.69 0.00 0.00 -0.52 0.00 0.00 37.83 35.45 2kkx s LYS 189 CO 0.22 -2.89 0.00 0.41 -0.92 0.00 0.00 175.35 172.18 2kkx n GLY 190 N 0.19 -1.28 0.20 -3.33 0.00 -1.26 -5.09 105.19 94.62 2kkx n GLY 190 Ca 0.09 0.24 0.02 0.00 0.00 0.00 0.00 46.02 46.37 2kkx n GLY 190 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02