#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 -0.05 -0.87 4.33 7.50 -1.95 -2.46 115.11 121.62 2kkx h GLN 91 Ca 0.00 0.00 0.06 0.00 0.50 0.00 0.00 58.65 59.21 2kkx h GLN 91 Cb 0.00 0.01 -0.05 0.00 0.05 0.00 0.00 27.48 27.49 2kkx h GLN 91 CO 0.00 -0.03 0.57 1.05 -1.50 0.00 0.00 178.83 178.92 2kkx h GLU 92 N -0.05 0.97 -0.20 1.46 9.09 -1.98 -0.69 114.58 123.18 2kkx h GLU 92 Ca 0.23 -0.06 -0.12 0.00 0.05 0.00 0.00 59.36 59.47 2kkx h GLU 92 Cb 0.40 -0.22 -0.00 0.00 -1.65 0.00 0.00 28.75 27.28 2kkx h GLU 92 CO -0.52 0.64 -0.32 1.03 0.05 0.00 0.00 179.01 179.89 2kkx h SER 93 N 1.00 0.63 0.02 3.06 0.87 -1.89 -1.68 113.55 115.56 2kkx h SER 93 Ca 0.37 -0.53 -0.00 0.00 -1.23 0.00 0.00 61.79 60.40 2kkx h SER 93 Cb 0.17 -0.18 0.00 0.00 -0.44 0.00 0.00 62.40 61.95 2kkx h SER 93 CO -0.13 1.04 -0.01 0.40 -0.53 0.00 0.00 176.83 177.60 2kkx h ILE 94 N 0.25 1.11 0.00 2.23 2.04 -1.02 -2.06 117.51 120.06 2kkx h ILE 94 Ca 0.02 -0.40 -0.05 0.00 1.00 0.00 0.00 64.86 65.43 2kkx h ILE 94 Cb 0.91 1.38 -0.01 0.00 -0.74 0.00 0.00 36.82 38.36 2kkx h ILE 94 CO 0.07 0.10 -0.25 1.56 0.00 0.00 0.00 178.15 179.64 2kkx h GLN 95 N -0.20 0.00 -0.45 2.37 4.20 -1.19 0.73 115.11 120.57 2kkx h GLN 95 Ca -0.00 0.00 -0.11 0.00 0.06 0.00 0.00 58.65 58.59 2kkx h GLN 95 Cb 0.19 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 27.95 2kkx h GLN 95 CO 0.00 0.25 -0.17 -0.91 -0.67 0.00 0.00 178.83 177.33 2kkx h ASN 96 N 0.00 0.88 -0.30 1.46 -0.26 -1.25 -1.79 115.58 114.32 2kkx h ASN 96 Ca -0.00 -0.30 -0.11 0.00 -0.56 0.00 0.00 56.30 55.33 2kkx h ASN 96 Cb 0.92 -0.24 -0.02 0.00 -1.06 0.00 0.00 38.32 37.93 2kkx h ASN 96 CO 0.03 1.04 -0.19 0.11 -1.06 0.00 0.00 177.43 177.36 2kkx h LYS 97 N 0.77 0.76 -0.53 0.81 6.56 -0.52 -2.66 116.57 121.76 2kkx h LYS 97 Ca 0.11 -0.29 -0.08 0.00 -1.06 0.00 0.00 60.65 59.33 2kkx h LYS 97 Cb 0.70 -0.05 -0.02 0.00 -0.57 0.00 0.00 32.23 32.29 2kkx h LYS 97 CO 0.05 0.89 0.01 0.82 -2.06 0.00 0.00 179.45 179.17 2kkx h ILE 98 N 0.68 1.25 -0.91 1.86 2.04 -0.82 0.19 117.51 121.79 2kkx h ILE 98 Ca 0.10 -1.06 -0.00 0.00 1.00 0.00 0.00 64.86 64.90 2kkx h ILE 98 Cb 0.68 0.83 -0.04 0.00 -0.74 0.00 0.00 36.82 37.55 2kkx h ILE 98 CO 0.05 0.38 0.55 -1.28 0.00 0.00 0.00 178.15 177.85 2kkx h SER 99 N 0.84 1.10 0.17 1.72 0.87 -1.18 -2.58 113.55 114.48 2kkx h SER 99 Ca 0.16 -0.07 -0.35 0.00 -1.23 0.00 0.00 61.79 60.30 2kkx h SER 99 Cb 0.48 -0.28 0.00 0.00 -0.44 0.00 0.00 62.40 62.17 2kkx h SER 99 CO 0.02 0.84 -1.81 1.56 -0.53 0.00 0.00 176.83 176.92 2kkx h GLN 100 N 1.26 0.36 0.00 2.24 1.08 -1.24 -3.38 115.11 115.43 2kkx h GLN 100 Ca 0.33 -0.61 0.00 0.00 -1.45 0.00 0.00 58.65 56.92 2kkx h GLN 100 Cb -0.06 0.23 0.00 0.00 -0.05 0.00 0.00 27.48 27.60 2kkx h GLN 100 CO -0.06 1.29 0.00 0.00 -0.95 0.00 0.00 178.83 179.11 2kkx s LYS 102 N -3.23 2.95 0.11 0.00 -2.85 -0.97 -4.27 119.74 111.48 2kkx s LYS 102 Ca 0.07 1.34 -0.11 0.00 -1.00 0.00 0.00 55.97 56.28 2kkx s LYS 102 Cb 0.10 -1.97 0.01 0.00 -2.06 0.00 0.00 37.83 33.90 2kkx s LYS 102 CO 0.56 -1.12 0.26 -0.59 0.10 0.00 0.00 175.35 174.56 2kkx s PHE 103 N -2.37 0.11 -0.65 1.78 -0.71 -0.68 -4.94 117.98 110.52 2kkx s PHE 103 Ca 0.66 -0.50 -0.26 0.00 -1.04 0.00 0.00 56.93 55.79 2kkx s PHE 103 Cb -0.19 0.02 -0.06 0.00 -1.21 0.00 0.00 43.02 41.58 2kkx s PHE 103 CO 0.40 -0.62 2.12 -1.12 -1.34 0.00 0.00 175.22 174.66 2kkx s SER 104 N -2.87 4.80 -0.77 1.98 0.01 -1.26 -2.46 113.70 113.13 2kkx s SER 104 Ca 0.07 0.34 -0.26 0.00 1.31 0.00 0.00 55.95 57.41 2kkx s SER 104 Cb 0.04 -2.53 0.02 0.00 0.21 0.00 0.00 66.02 63.76 2kkx s SER 104 CO -0.09 -2.81 1.48 -0.69 0.41 0.00 0.00 173.24 171.54 2kkx s VAL 105 N 11.02 3.66 -0.36 3.43 1.01 -0.13 -4.96 120.40 134.07 2kkx s VAL 105 Ca 0.80 0.11 -0.05 0.00 0.00 0.00 0.00 61.98 62.84 2kkx s VAL 105 Cb -0.13 -4.67 0.06 0.00 0.00 0.00 0.00 36.38 31.64 2kkx s VAL 105 CO 0.17 -1.60 0.13 0.00 0.00 0.00 0.00 175.10 173.79 2kkx h PRO 107 N 8.18 0.00 0.12 0.00 0.13 -1.91 -1.31 132.00 137.21 2kkx h PRO 107 Ca -0.21 0.00 -0.29 0.00 -0.87 0.00 0.00 66.00 64.63 2kkx h PRO 107 Cb 1.07 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.20 2kkx h PRO 107 CO 0.64 0.02 -1.37 1.05 -0.23 0.00 0.00 178.00 178.11 2kkx h GLU 108 N 0.00 0.26 0.02 0.86 4.11 -1.94 -2.59 114.58 115.30 2kkx h GLU 108 Ca -0.00 -0.44 -0.03 0.00 0.07 0.00 0.00 59.36 58.96 2kkx h GLU 108 Cb 0.22 0.16 0.00 0.00 0.50 0.00 0.00 28.75 29.64 2kkx h GLU 108 CO 0.00 1.16 -0.14 0.00 0.07 0.00 0.00 179.01 180.11 2kkx h ARG 109 N 0.07 0.06 0.00 1.06 3.08 -1.81 -3.29 114.38 113.55 2kkx h ARG 109 Ca -0.18 -0.09 -0.01 0.00 0.07 0.00 0.00 59.98 59.77 2kkx h ARG 109 Cb 1.99 0.03 -0.00 0.00 0.08 0.00 0.00 29.97 32.07 2kkx h ARG 109 CO 0.18 0.99 -0.06 -0.07 -1.07 0.00 0.00 179.97 179.94 2kkx h LEU 110 N -0.82 0.00 0.94 3.04 3.38 -1.43 -3.46 115.31 116.95 2kkx h LEU 110 Ca -0.02 0.00 -0.31 0.00 0.09 0.00 0.00 57.88 57.64 2kkx h LEU 110 Cb 1.05 0.00 -0.12 0.00 0.09 0.00 0.00 40.66 41.68 2kkx h LEU 110 CO 0.03 0.06 -0.28 0.00 0.09 0.00 0.00 178.44 178.33 2kkx n GLN 111 N -3.21 -1.39 -3.02 1.13 1.13 -0.98 -4.97 117.38 106.07 2kkx n GLN 111 Ca -0.00 0.92 -0.40 0.00 -1.94 0.00 0.00 57.00 55.58 2kkx n GLN 111 Cb 0.30 -5.20 -0.05 0.00 0.11 0.00 0.00 30.24 25.40 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 2.89 1.16 -0.27 0.00 -0.04 -1.26 -4.79 135.00 132.69 2kkx n PRO 113 Ca -0.03 0.45 0.05 0.00 -0.04 0.00 0.00 63.50 63.93 2kkx n PRO 113 Cb 0.50 -2.43 0.19 0.00 -0.04 0.00 0.00 33.50 31.73 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 0.69 0.39 -1.21 1.53 3.38 -1.94 -0.60 115.31 117.55 2kkx h LEU 114 Ca -0.50 0.10 0.00 0.00 0.09 0.00 0.00 57.88 57.57 2kkx h LEU 114 Cb 1.34 0.05 -0.04 0.00 0.09 0.00 0.00 40.66 42.10 2kkx h LEU 114 CO 0.53 0.16 0.48 1.05 0.09 0.00 0.00 178.44 180.76 2kkx h GLU 115 N 0.53 1.01 -0.06 1.13 4.11 -1.97 0.13 114.58 119.46 2kkx h GLU 115 Ca 0.42 -0.07 -0.08 0.00 0.07 0.00 0.00 59.36 59.70 2kkx h GLU 115 Cb 0.60 -0.22 -0.01 0.00 0.50 0.00 0.00 28.75 29.62 2kkx h GLU 115 CO -0.37 0.69 -0.35 0.00 0.07 0.00 0.00 179.01 179.05 2kkx h ALA 116 N 1.49 1.31 -0.22 1.06 0.00 -1.47 -2.86 119.26 118.58 2kkx h ALA 116 Ca 0.28 -0.34 -0.13 0.00 0.00 0.00 0.00 54.91 54.71 2kkx h ALA 116 Cb -0.09 -0.07 -0.09 0.00 0.00 0.00 0.00 17.79 17.54 2kkx h ALA 116 CO -0.06 0.49 -0.36 0.44 0.00 0.00 0.00 179.25 179.76 2kkx n ILE 117 N -4.10 2.39 -2.25 0.00 -5.35 -0.98 -4.81 119.36 104.27 2kkx n ILE 117 Ca -0.02 -3.17 -0.42 0.00 -0.27 0.00 0.00 62.75 58.87 2kkx n ILE 117 Cb 0.41 -0.37 -0.03 0.00 -1.74 0.00 0.00 39.64 37.91 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 -3.29 4.34 -0.41 6.28 2.00 0.41 -4.20 119.66 124.78 2kkx s GLN 118 Ca 0.42 1.96 -0.29 0.00 -2.00 0.00 0.00 55.36 55.46 2kkx s GLN 118 Cb 0.39 -3.37 0.01 0.00 0.80 0.00 0.00 33.01 30.84 2kkx s GLN 118 CO -0.03 -0.43 1.43 0.00 -0.50 0.00 0.00 175.29 175.75 2kkx n PRO 120 N 8.11 0.07 -0.03 0.00 -0.04 -1.26 -1.25 135.00 140.60 2kkx n PRO 120 Ca 0.17 0.26 -0.11 0.00 -0.04 0.00 0.00 63.50 63.78 2kkx n PRO 120 Cb 0.48 -1.62 -0.09 0.00 -0.04 0.00 0.00 33.50 32.23 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 1.20 0.00 0.52 2.04 -1.92 -3.37 117.51 115.98 2kkx h ILE 121 Ca 0.00 -1.65 0.00 0.00 1.00 0.00 0.00 64.86 64.21 2kkx h ILE 121 Cb 0.34 2.16 0.00 0.00 -0.74 0.00 0.00 36.82 38.59 2kkx h ILE 121 CO 0.00 0.37 -0.80 0.35 0.00 0.00 0.00 178.15 178.07 2kkx n THR 122 N -4.75 0.12 -3.27 -0.27 -2.24 -1.18 -4.97 114.28 97.72 2kkx n THR 122 Ca -0.08 -0.14 -0.22 0.00 -2.27 0.00 0.00 64.05 61.35 2kkx n THR 122 Cb 0.32 0.27 0.06 0.00 -2.10 0.00 0.00 70.33 68.87 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 -1.78 -3.00 -3.82 3.22 7.99 -0.38 -5.02 117.00 114.22 2kkx n LEU 123 Ca 0.03 -0.40 -0.12 0.00 -0.01 0.00 0.00 56.01 55.52 2kkx n LEU 123 Cb 0.39 -2.84 -0.09 0.00 -0.11 0.00 0.00 43.42 40.77 2kkx n LEU 123 CO 0.38 0.43 -0.07 -1.83 -1.51 0.00 0.00 177.39 174.80 2kkx s GLU 124 N -5.95 0.64 -0.27 3.23 -1.05 -1.19 -5.00 118.70 109.11 2kkx s GLU 124 Ca 0.43 -0.42 -0.29 0.00 -0.15 0.00 0.00 54.97 54.54 2kkx s GLU 124 Cb -0.19 0.27 -0.01 0.00 -0.44 0.00 0.00 34.13 33.77 2kkx s GLU 124 CO 0.53 -0.18 1.35 -1.14 0.95 0.00 0.00 175.26 176.78 2kkx s GLN 125 N -1.84 3.93 0.70 -4.83 -0.44 -1.26 -1.33 119.66 114.59 2kkx s GLN 125 Ca -0.11 1.36 -0.11 0.00 -2.50 0.00 0.00 55.36 54.01 2kkx s GLN 125 Cb -0.04 -3.90 0.01 0.00 -1.64 0.00 0.00 33.01 27.44 2kkx s GLN 125 CO 0.00 -1.11 1.06 -1.25 0.50 0.00 0.00 175.29 174.50 2kkx s PRO 126 N 4.19 2.93 0.24 1.67 0.04 -1.26 -4.95 135.00 137.86 2kkx s PRO 126 Ca 0.59 0.85 0.22 0.00 0.04 0.00 0.00 61.00 62.70 2kkx s PRO 126 Cb -0.19 -2.00 0.05 0.00 0.04 0.00 0.00 34.50 32.41 2kkx s PRO 126 CO 0.23 -1.08 1.14 1.05 0.04 0.00 0.00 177.00 178.38 2kkx h GLU 127 N -0.70 0.00 -3.16 4.56 4.11 -1.95 -3.42 114.58 114.02 2kkx h GLU 127 Ca -0.44 0.00 -0.20 0.00 0.07 0.00 0.00 59.36 58.79 2kkx h GLU 127 Cb 1.22 0.00 -0.28 0.00 0.50 0.00 0.00 28.75 30.18 2kkx h GLU 127 CO 0.58 0.04 -0.50 -1.59 0.07 0.00 0.00 179.01 177.62 2kkx s LYS 128 N -3.28 0.20 0.18 1.06 0.00 -1.26 -0.95 119.74 115.68 2kkx s LYS 128 Ca 0.01 0.39 -0.24 0.00 0.00 0.00 0.00 55.97 56.13 2kkx s LYS 128 Cb 0.09 -0.02 0.06 0.00 0.00 0.00 0.00 37.83 37.95 2kkx s LYS 128 CO 0.77 -0.10 0.80 0.20 0.00 0.00 0.00 175.35 177.01 2kkx s GLY 129 N 0.72 -0.29 0.17 0.59 0.00 -1.03 -2.51 107.32 104.98 2kkx s GLY 129 Ca -0.05 0.17 0.09 0.00 0.00 0.00 0.00 44.72 44.92 2kkx s GLY 129 CO -0.04 0.05 -0.18 -0.26 0.00 0.00 0.00 173.10 172.66 2kkx s ILE 130 N -3.57 1.84 -0.35 0.90 -4.36 0.18 -1.68 121.20 114.16 2kkx s ILE 130 Ca 0.09 -1.94 -0.17 0.00 -0.26 0.00 0.00 60.65 58.36 2kkx s ILE 130 Cb -0.03 -1.87 -0.01 0.00 1.25 0.00 0.00 42.46 41.81 2kkx s ILE 130 CO -0.01 -0.32 0.47 -0.36 0.24 0.00 0.00 174.94 174.96 2kkx s PHE 131 N -2.08 3.19 -0.14 1.37 0.08 -1.26 -1.67 117.98 117.47 2kkx s PHE 131 Ca 0.16 0.13 0.01 0.00 0.12 0.00 0.00 56.93 57.35 2kkx s PHE 131 Cb -0.06 -2.85 0.02 0.00 -0.57 0.00 0.00 43.02 39.56 2kkx s PHE 131 CO 0.07 -0.51 -0.17 0.08 -0.10 0.00 0.00 175.22 174.59 2kkx s VAL 132 N 2.29 1.71 -0.04 -0.44 1.01 -0.90 -1.31 120.40 122.72 2kkx s VAL 132 Ca 0.17 -0.75 -0.30 0.00 0.00 0.00 0.00 61.98 61.10 2kkx s VAL 132 Cb -0.16 -1.56 -0.06 0.00 0.00 0.00 0.00 36.38 34.60 2kkx s VAL 132 CO 0.13 0.48 1.68 -1.59 0.00 0.00 0.00 175.10 175.80 2kkx s LYS 133 N 1.17 4.18 -1.10 2.72 -2.85 0.14 -1.69 119.74 122.31 2kkx s LYS 133 Ca -0.01 2.23 -0.22 0.00 -1.00 0.00 0.00 55.97 56.97 2kkx s LYS 133 Cb -0.14 -3.98 -0.03 0.00 -2.06 0.00 0.00 37.83 31.62 2kkx s LYS 133 CO -0.06 -0.85 1.85 1.21 0.10 0.00 0.00 175.35 177.60 2kkx s ASN 134 N 3.39 5.54 -0.00 0.03 3.84 0.37 -4.84 114.94 123.27 2kkx s ASN 134 Ca 0.75 -1.48 -0.24 0.00 0.21 0.00 0.00 52.86 52.10 2kkx s ASN 134 Cb -0.34 -2.58 -0.15 0.00 -0.55 0.00 0.00 41.25 37.63 2kkx s ASN 134 CO 0.31 -2.48 1.08 -1.28 -2.79 0.00 0.00 177.10 171.94 2kkx h SER 135 N 9.84 -0.50 0.34 -4.21 0.87 -1.89 0.23 113.55 118.22 2kkx h SER 135 Ca 0.22 -0.10 -0.12 0.00 -1.23 0.00 0.00 61.79 60.56 2kkx h SER 135 Cb 0.96 0.13 -0.01 0.00 -0.44 0.00 0.00 62.40 63.03 2kkx h SER 135 CO 1.28 -0.11 -0.48 -0.78 -0.53 0.00 0.00 176.83 176.21 2kkx h ASP 136 N -0.98 0.19 0.58 6.23 3.58 -1.96 -1.56 116.42 122.49 2kkx h ASP 136 Ca -0.06 -0.09 -0.03 0.00 0.42 0.00 0.00 57.03 57.27 2kkx h ASP 136 Cb 0.57 -0.05 0.01 0.00 1.72 0.00 0.00 39.33 41.57 2kkx h ASP 136 CO 0.10 0.65 -0.28 1.23 -2.88 0.00 0.00 179.24 178.06 2kkx h GLY 137 N 1.37 -0.81 0.00 -0.78 0.00 -1.95 -3.43 103.07 97.46 2kkx h GLY 137 Ca 0.01 0.30 0.00 0.00 0.00 0.00 0.00 47.33 47.64 2kkx h GLY 137 CO 0.07 -0.30 0.00 1.44 0.00 0.00 0.00 176.54 177.76 2kkx n SER 138 N -4.35 0.00 -1.22 0.19 7.64 -1.09 -5.01 113.62 109.77 2kkx n SER 138 Ca -0.10 -1.00 -0.15 0.00 1.01 0.00 0.00 58.87 58.63 2kkx n SER 138 Cb 0.31 0.00 -0.06 0.00 -1.01 0.00 0.00 64.21 63.45 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 -4.77 -4.72 6.43 2.03 0.04 -5.01 116.55 110.56 2kkx n ASP 139 Ca 0.00 0.32 -0.33 0.00 0.52 0.00 0.00 54.79 55.30 2kkx n ASP 139 Cb 0.39 -3.63 -0.08 0.00 -0.72 0.00 0.00 41.12 37.08 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 -2.58 4.42 0.14 5.18 1.01 -1.06 -4.34 120.40 123.16 2kkx s VAL 140 Ca 0.00 -0.45 -0.22 0.00 0.00 0.00 0.00 61.98 61.31 2kkx s VAL 140 Cb 0.00 -2.97 -0.08 0.00 0.00 0.00 0.00 36.38 33.34 2kkx s VAL 140 CO 0.00 0.42 0.69 0.00 0.00 0.00 0.00 175.10 176.21 2kkx s THR 142 N -1.18 1.50 -0.19 0.00 2.01 -0.68 -4.83 115.64 112.27 2kkx s THR 142 Ca 0.34 -1.35 -0.21 0.00 0.31 0.00 0.00 61.69 60.79 2kkx s THR 142 Cb -0.21 -1.36 -0.03 0.00 0.01 0.00 0.00 72.50 70.92 2kkx s THR 142 CO 0.23 -0.03 0.63 -0.22 -0.69 0.00 0.00 174.62 174.54 2kkx s LEU 143 N -1.61 4.15 -0.07 4.42 2.96 -1.26 -2.11 118.68 125.16 2kkx s LEU 143 Ca 0.04 0.84 0.05 0.00 -0.22 0.00 0.00 54.13 54.84 2kkx s LEU 143 Cb -0.09 -2.89 -0.00 0.00 0.50 0.00 0.00 46.19 43.70 2kkx s LEU 143 CO 0.03 -0.26 -0.24 -0.36 -1.32 0.00 0.00 176.35 174.21 2kkx s PHE 144 N 1.83 2.40 0.16 5.38 0.08 -0.67 -4.00 117.98 123.15 2kkx s PHE 144 Ca 0.29 -0.84 -0.34 0.00 0.12 0.00 0.00 56.93 56.16 2kkx s PHE 144 Cb -0.16 -1.59 -0.14 0.00 -0.57 0.00 0.00 43.02 40.56 2kkx s PHE 144 CO 0.11 -0.30 1.52 -3.47 -0.10 0.00 0.00 175.22 172.97 2kkx n ASP 145 N 3.23 2.81 -0.16 1.36 2.03 -1.26 -0.65 116.55 123.91 2kkx n ASP 145 Ca -0.18 1.10 -0.03 0.00 0.52 0.00 0.00 54.79 56.19 2kkx n ASP 145 Cb 0.52 -1.39 0.06 0.00 -0.72 0.00 0.00 41.12 39.60 2kkx n ASP 145 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2kkx h ALA 146 N 5.51 0.63 -0.09 -1.67 0.00 -1.80 -0.98 119.26 120.87 2kkx h ALA 146 Ca -0.45 0.06 -0.15 0.00 0.00 0.00 0.00 54.91 54.36 2kkx h ALA 146 Cb 1.27 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 19.07 2kkx h ALA 146 CO 0.86 -0.19 -0.61 0.00 0.00 0.00 0.00 179.25 179.30 2kkx h ALA 147 N 1.33 0.79 -0.12 0.00 0.00 -1.90 -1.93 119.26 117.42 2kkx h ALA 147 Ca 0.24 -0.55 -0.14 0.00 0.00 0.00 0.00 54.91 54.47 2kkx h ALA 147 Cb 0.24 -0.08 0.01 0.00 0.00 0.00 0.00 17.79 17.95 2kkx h ALA 147 CO -0.23 0.73 -0.46 0.00 0.00 0.00 0.00 179.25 179.29 2kkx h ALA 148 N 1.12 0.22 -0.17 0.00 0.00 -1.79 -1.16 119.26 117.48 2kkx h ALA 148 Ca -0.01 -0.48 -0.17 0.00 0.00 0.00 0.00 54.91 54.25 2kkx h ALA 148 Cb 1.13 -0.02 0.01 0.00 0.00 0.00 0.00 17.79 18.91 2kkx h ALA 148 CO 0.10 0.37 -0.57 0.35 0.00 0.00 0.00 179.25 179.50 2kkx h PHE 149 N 0.14 0.90 0.00 0.00 3.57 -1.25 -2.71 116.94 117.59 2kkx h PHE 149 Ca -0.02 -0.37 -0.04 0.00 3.53 0.00 0.00 57.97 61.07 2kkx h PHE 149 Cb 1.09 -0.15 -0.01 0.00 2.79 0.00 0.00 35.95 39.68 2kkx h PHE 149 CO 0.11 1.17 -0.17 1.03 -2.23 0.00 0.00 178.31 178.21 2kkx h SER 150 N 0.37 0.00 0.18 0.41 0.87 -1.41 -1.98 113.55 111.99 2kkx h SER 150 Ca -0.02 0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.53 2kkx h SER 150 Cb 1.19 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.15 2kkx h SER 150 CO 0.12 0.17 -0.09 -0.09 -0.53 0.00 0.00 176.83 176.42 2kkx h ARG 151 N 0.00 -0.23 -0.70 2.24 9.65 -1.09 -1.09 114.38 123.16 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 0.31 0.05 -0.07 0.00 -1.39 0.00 0.00 29.97 28.88 2kkx h ARG 151 CO 0.02 -0.09 0.37 -0.07 2.80 0.00 0.00 179.97 182.99 2kkx h LEU 152 N -0.32 0.50 -0.26 3.80 3.38 -1.06 -0.34 115.31 121.01 2kkx h LEU 152 Ca -0.02 0.05 -0.06 0.00 0.09 0.00 0.00 57.88 57.94 2kkx h LEU 152 Cb 0.25 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 40.95 2kkx h LEU 152 CO 0.04 0.30 -0.06 0.58 0.09 0.00 0.00 178.44 179.39 2kkx h VAL 153 N 0.64 1.28 0.00 1.22 2.07 -1.36 -0.01 116.25 120.09 2kkx h VAL 153 Ca 0.34 -1.08 -0.00 0.00 0.82 0.00 0.00 66.70 66.78 2kkx h VAL 153 Cb 0.31 1.46 -0.00 0.00 -1.52 0.00 0.00 31.29 31.54 2kkx h VAL 153 CO -0.24 0.34 -0.02 1.23 0.02 0.00 0.00 177.57 178.90 2kkx h GLY 154 N 0.24 0.00 1.70 2.17 0.00 -0.56 -1.10 103.07 105.52 2kkx h GLY 154 Ca 0.06 0.00 -0.24 0.00 0.00 0.00 0.00 47.33 47.15 2kkx h GLY 154 CO 0.03 0.00 -1.10 0.83 0.00 0.00 0.00 176.54 176.30 2kkx h GLU 155 N 0.00 0.24 0.00 4.80 4.39 -0.81 -3.48 114.58 119.72 2kkx h GLU 155 Ca -0.00 -0.35 0.00 0.00 0.34 0.00 0.00 59.36 59.35 2kkx h GLU 155 Cb 0.04 0.12 0.00 0.00 -0.10 0.00 0.00 28.75 28.81 2kkx h GLU 155 CO 0.00 1.12 0.00 0.41 -1.16 0.00 0.00 179.01 179.39 2kkx n GLY 156 N 1.30 1.39 3.85 -3.84 0.00 -0.42 -5.11 105.19 102.36 2kkx n GLY 156 Ca -0.06 -0.29 -0.36 0.00 0.00 0.00 0.00 46.02 45.32 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 4.37 0.00 0.99 1.43 -0.10 -5.03 118.68 120.35 2kkx s LEU 157 Ca 0.00 0.99 -0.14 0.00 -1.03 0.00 0.00 54.13 53.95 2kkx s LEU 157 Cb 0.00 -3.08 0.20 0.00 0.03 0.00 0.00 46.19 43.34 2kkx s LEU 157 CO 0.00 0.16 1.00 -0.81 0.23 0.00 0.00 176.35 176.93 2kkx n PRO 158 N 1.01 -1.57 -1.66 1.29 -0.04 -1.26 -4.36 135.00 128.40 2kkx n PRO 158 Ca -0.07 -1.57 -0.47 0.00 -0.04 0.00 0.00 63.50 61.35 2kkx n PRO 158 Cb 0.52 -1.16 -0.04 0.00 -0.04 0.00 0.00 33.50 32.77 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 -3.76 2.19 0.30 0.54 -0.00 -0.26 -4.86 115.22 109.37 2kkx n HIS 159 Ca 0.13 0.31 0.16 0.00 -0.00 0.00 0.00 57.72 58.32 2kkx n HIS 159 Cb 0.46 -2.52 0.93 0.00 -0.00 0.00 0.00 29.99 28.87 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 5.81 0.00 0.00 1.57 0.13 -1.93 -0.72 132.00 136.85 2kkx h PRO 160 Ca -0.45 0.00 -0.13 0.00 -0.87 0.00 0.00 66.00 64.54 2kkx h PRO 160 Cb 1.26 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.37 2kkx h PRO 160 CO 0.88 0.03 -1.34 1.28 -0.23 0.00 0.00 178.00 178.61 2kkx n LEU 161 N -3.64 1.76 -0.11 1.56 4.77 -1.26 -4.75 117.00 115.33 2kkx n LEU 161 Ca -0.03 0.30 0.09 0.00 -0.03 0.00 0.00 56.01 56.34 2kkx n LEU 161 Cb 0.12 -0.68 -0.08 0.00 -2.33 0.00 0.00 43.42 40.44 2kkx n LEU 161 CO 0.26 -0.06 0.04 1.07 -1.33 0.00 0.00 177.39 177.37 2kkx n THR 162 N -4.23 0.00 -1.89 -5.08 5.66 -1.25 -4.99 114.28 102.51 2kkx n THR 162 Ca -0.24 -0.12 -0.17 0.00 -3.05 0.00 0.00 64.05 60.47 2kkx n THR 162 Cb 0.57 1.06 -0.04 0.00 -1.55 0.00 0.00 70.33 70.37 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 -1.09 -1.29 -1.96 1.09 5.12 -0.28 -4.96 116.66 113.28 2kkx n ARG 163 Ca 0.05 0.98 -0.33 0.00 -1.93 0.00 0.00 57.85 56.62 2kkx n ARG 163 Cb 0.32 -5.33 0.02 0.00 -1.16 0.00 0.00 32.46 26.31 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 -4.13 3.17 -0.20 5.56 0.41 -1.26 -4.48 118.70 117.78 2kkx s GLU 164 Ca 0.00 1.25 -0.29 0.00 -0.41 0.00 0.00 54.97 55.53 2kkx s GLU 164 Cb 0.00 -2.01 -0.04 0.00 -1.78 0.00 0.00 34.13 30.30 2kkx s GLU 164 CO 0.00 -0.93 1.80 -1.25 -0.49 0.00 0.00 175.26 174.38 2kkx s PRO 165 N -4.09 3.67 0.26 0.39 0.04 -1.26 -1.10 135.00 132.91 2kkx s PRO 165 Ca 0.64 1.83 -0.30 0.00 0.04 0.00 0.00 61.00 63.21 2kkx s PRO 165 Cb -0.17 -4.13 -0.11 0.00 0.04 0.00 0.00 34.50 30.13 2kkx s PRO 165 CO 0.38 -1.46 1.52 0.42 0.04 0.00 0.00 177.00 177.90 2kkx s ILE 166 N 5.87 2.38 0.15 0.56 1.01 -1.26 -4.93 121.20 124.97 2kkx s ILE 166 Ca 0.80 0.32 -0.11 0.00 0.00 0.00 0.00 60.65 61.66 2kkx s ILE 166 Cb -0.28 -3.20 0.00 0.00 0.01 0.00 0.00 42.46 38.99 2kkx s ILE 166 CO 0.33 0.05 0.31 0.28 0.00 0.00 0.00 174.94 175.91 2kkx s THR 167 N 0.07 0.08 0.06 2.92 -1.32 -1.26 -5.02 115.64 111.17 2kkx s THR 167 Ca 0.62 -1.16 0.32 0.00 -1.21 0.00 0.00 61.69 60.27 2kkx s THR 167 Cb -0.45 -1.61 0.35 0.00 -1.51 0.00 0.00 72.50 69.28 2kkx s THR 167 CO 0.45 -0.35 1.97 0.00 -2.21 0.00 0.00 174.62 174.47 2kkx h ALA 168 N 2.52 1.00 -0.28 11.08 0.00 -1.90 -2.98 119.26 128.69 2kkx h ALA 168 Ca -0.32 0.00 -0.16 0.00 0.00 0.00 0.00 54.91 54.43 2kkx h ALA 168 Cb 1.23 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 19.02 2kkx h ALA 168 CO 0.48 0.00 -0.46 1.03 0.00 0.00 0.00 179.25 180.30 2kkx h SER 169 N 0.00 0.89 0.82 0.00 0.87 -1.98 -3.27 113.55 110.88 2kkx h SER 169 Ca 0.00 -0.52 0.00 0.00 -1.23 0.00 0.00 61.79 60.04 2kkx h SER 169 Cb 0.30 -0.25 0.00 0.00 -0.44 0.00 0.00 62.40 62.00 2kkx h SER 169 CO 0.00 1.24 -0.32 2.30 -0.53 0.00 0.00 176.83 179.52 2kkx n ILE 170 N -4.10 0.13 -3.76 2.23 -5.35 -1.13 -4.77 119.36 102.61 2kkx n ILE 170 Ca -0.04 -0.08 -0.36 0.00 -0.27 0.00 0.00 62.75 62.00 2kkx n ILE 170 Cb 0.58 -0.13 -0.07 0.00 -1.74 0.00 0.00 39.64 38.27 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 -3.04 5.43 0.37 7.28 2.07 -1.20 -0.69 121.20 131.41 2kkx s ILE 171 Ca 0.11 0.23 0.03 0.00 -1.41 0.00 0.00 60.65 59.62 2kkx s ILE 171 Cb 0.17 -3.46 -0.04 0.00 0.13 0.00 0.00 42.46 39.25 2kkx s ILE 171 CO 0.64 0.50 0.09 0.68 -1.91 0.00 0.00 174.94 174.94 2kkx s VAL 172 N -0.11 0.87 0.43 4.00 -7.23 -0.43 -4.90 120.40 113.03 2kkx s VAL 172 Ca 0.11 -2.00 0.01 0.00 -1.81 0.00 0.00 61.98 58.29 2kkx s VAL 172 Cb -0.12 -2.55 -0.01 0.00 0.56 0.00 0.00 36.38 34.27 2kkx s VAL 172 CO 0.01 0.00 0.64 -0.54 -0.31 0.00 0.00 175.10 174.90 2kkx s LYS 173 N -3.82 3.09 0.27 4.82 1.02 -1.26 -4.13 119.74 119.74 2kkx s LYS 173 Ca 0.29 -0.55 -0.02 0.00 0.02 0.00 0.00 55.97 55.71 2kkx s LYS 173 Cb 0.05 -2.60 0.41 0.00 -0.52 0.00 0.00 37.83 35.18 2kkx s LYS 173 CO 0.14 -0.21 1.88 1.12 -0.92 0.00 0.00 175.35 177.37 2kkx h HIS 174 N 0.48 1.20 -0.01 3.18 2.07 -1.90 -1.63 115.15 118.55 2kkx h HIS 174 Ca -0.46 0.03 0.00 0.00 -2.85 0.00 0.00 60.37 57.09 2kkx h HIS 174 Cb 1.25 -0.40 0.00 0.00 2.57 0.00 0.00 27.41 30.84 2kkx h HIS 174 CO 0.45 0.62 -0.22 -0.85 -3.07 0.00 0.00 177.93 174.86 2kkx n GLU 175 N -4.50 0.87 0.11 5.12 0.00 -1.26 -3.69 120.64 117.30 2kkx n GLU 175 Ca 0.15 -0.49 0.08 0.00 0.00 0.00 0.00 57.16 56.90 2kkx n GLU 175 Cb 0.18 -1.49 0.01 0.00 0.00 0.00 0.00 31.44 30.15 2kkx n GLU 175 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.13 178.62 2kkx h GLU 176 N 1.20 0.00 -5.83 3.44 4.57 -1.70 -3.44 114.58 112.81 2kkx h GLU 176 Ca 0.00 0.00 -0.66 0.00 -1.18 0.00 0.00 59.36 57.52 2kkx h GLU 176 Cb 0.49 0.00 -0.09 0.00 -0.16 0.00 0.00 28.75 28.98 2kkx h GLU 176 CO 0.00 0.12 -0.54 0.00 -1.18 0.00 0.00 179.01 177.41 2kkx s ILE 178 N -1.07 1.06 -0.10 0.00 -0.00 -0.16 -4.87 121.20 116.06 2kkx s ILE 178 Ca 0.18 -1.88 -0.30 0.00 -0.00 0.00 0.00 60.65 58.65 2kkx s ILE 178 Cb -0.12 -1.64 -0.02 0.00 -0.00 0.00 0.00 42.46 40.67 2kkx s ILE 178 CO 0.08 -0.67 1.23 -0.72 -0.00 0.00 0.00 174.94 174.86 2kkx s TYR 179 N -2.96 3.03 -0.19 1.37 1.13 -1.26 -0.94 117.35 117.52 2kkx s TYR 179 Ca 0.12 1.11 -0.11 0.00 -1.41 0.00 0.00 57.07 56.78 2kkx s TYR 179 Cb 0.00 -3.47 -0.05 0.00 -1.10 0.00 0.00 41.96 37.35 2kkx s TYR 179 CO 0.00 -1.52 0.17 0.34 -2.51 0.00 0.00 175.55 172.03 2kkx s ASP 180 N 1.71 6.26 0.23 -0.18 -1.08 -0.57 -4.92 116.67 118.12 2kkx s ASP 180 Ca 0.56 0.30 0.01 0.00 -0.52 0.00 0.00 52.55 52.89 2kkx s ASP 180 Cb -0.23 -2.11 0.24 0.00 -1.46 0.00 0.00 42.92 39.35 2kkx s ASP 180 CO 0.19 0.16 1.58 -2.24 0.52 0.00 0.00 175.17 175.38 2kkx h ASP 181 N 6.69 0.47 0.86 -0.34 3.04 -1.96 0.72 116.42 125.91 2kkx h ASP 181 Ca -0.41 -0.23 -0.13 0.00 -3.24 0.00 0.00 57.03 53.02 2kkx h ASP 181 Cb 1.15 -0.13 -0.02 0.00 -1.04 0.00 0.00 39.33 39.29 2kkx h ASP 181 CO 0.76 0.89 -0.62 0.00 -2.04 0.00 0.00 179.24 178.22 2kkx h THR 182 N 0.35 1.29 0.06 1.15 1.03 -1.95 -3.09 112.91 111.75 2kkx h THR 182 Ca 0.02 -2.25 -0.26 0.00 -0.01 0.00 0.00 66.41 63.91 2kkx h THR 182 Cb 0.98 2.27 -0.02 0.00 -1.07 0.00 0.00 68.15 70.31 2kkx h THR 182 CO 0.09 0.61 -1.25 0.03 -0.01 0.00 0.00 175.52 174.98 2kkx h ARG 183 N 0.00 0.12 -0.72 0.00 2.47 -1.96 -3.48 114.38 110.82 2kkx h ARG 183 Ca -0.01 -0.20 -0.16 0.00 -1.26 0.00 0.00 59.98 58.36 2kkx h ARG 183 Cb 1.22 0.07 -0.04 0.00 -1.65 0.00 0.00 29.97 29.57 2kkx h ARG 183 CO 0.08 1.01 -0.17 0.41 0.56 0.00 0.00 179.97 181.86 2kkx n GLY 184 N 1.48 0.55 3.49 0.04 0.00 0.23 -5.01 105.19 105.97 2kkx n GLY 184 Ca -0.07 -0.63 -0.10 0.00 0.00 0.00 0.00 46.02 45.22 2kkx n GLY 184 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2kkx s ASN 185 N -2.79 -0.42 -0.06 1.61 3.84 -1.08 -5.00 114.94 111.04 2kkx s ASN 185 Ca 0.00 0.03 -0.30 0.00 0.21 0.00 0.00 52.86 52.81 2kkx s ASN 185 Cb 0.00 0.43 -0.06 0.00 -0.55 0.00 0.00 41.25 41.07 2kkx s ASN 185 CO 0.00 -0.69 1.76 -0.36 -2.79 0.00 0.00 177.10 175.02 2kkx s PHE 186 N -3.13 1.77 0.45 0.43 0.40 -1.26 -1.52 117.98 115.11 2kkx s PHE 186 Ca 0.03 0.08 0.03 0.00 -0.60 0.00 0.00 56.93 56.48 2kkx s PHE 186 Cb -0.01 -4.01 -0.01 0.00 0.51 0.00 0.00 43.02 39.50 2kkx s PHE 186 CO -0.09 -4.21 0.12 0.44 0.70 0.00 0.00 175.22 172.19 2kkx n ILE 187 N 5.72 0.00 -2.53 0.64 -5.35 -0.12 -2.53 119.36 115.19 2kkx n ILE 187 Ca 0.19 -2.50 -0.30 0.00 -0.27 0.00 0.00 62.75 59.86 2kkx n ILE 187 Cb 0.43 0.82 -0.02 0.00 -1.74 0.00 0.00 39.64 39.13 2kkx n ILE 187 CO 0.00 0.00 0.00 -0.63 -1.76 0.00 0.00 176.55 174.16 2kkx s ILE 188 N -3.11 4.72 0.72 7.28 -1.09 -1.26 -0.99 121.20 127.47 2kkx s ILE 188 Ca 0.18 0.77 -0.15 0.00 -2.23 0.00 0.00 60.65 59.22 2kkx s ILE 188 Cb 0.01 -3.77 0.03 0.00 -1.58 0.00 0.00 42.46 37.15 2kkx s ILE 188 CO 0.12 -0.72 1.21 -0.54 -1.23 0.00 0.00 174.94 173.79 2kkx s LYS 189 N -4.25 2.20 0.08 2.79 1.02 -0.75 -4.79 119.74 116.04 2kkx s LYS 189 Ca 0.53 1.77 0.22 0.00 0.02 0.00 0.00 55.97 58.51 2kkx s LYS 189 Cb -0.10 -1.84 -0.16 0.00 -0.52 0.00 0.00 37.83 35.21 2kkx s LYS 189 CO 0.37 -1.80 0.76 0.41 -0.92 0.00 0.00 175.35 174.17 2kkx n GLY 190 N 0.41 -1.24 0.39 -3.33 0.00 -1.26 -5.09 105.19 95.07 2kkx n GLY 190 Ca 0.13 -0.34 0.14 0.00 0.00 0.00 0.00 46.02 45.96 2kkx n GLY 190 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02