#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 0.36 -0.71 -1.46 7.50 -1.97 -3.33 115.11 115.50 2kkx h GLN 91 Ca 0.00 -0.20 0.16 0.00 0.50 0.00 0.00 58.65 59.11 2kkx h GLN 91 Cb 0.00 0.01 -0.12 0.00 0.05 0.00 0.00 27.48 27.42 2kkx h GLN 91 CO 0.00 0.76 0.03 1.05 -1.50 0.00 0.00 178.83 179.17 2kkx h GLU 92 N -0.02 0.12 -0.27 1.46 9.09 -1.99 0.09 114.58 123.07 2kkx h GLU 92 Ca 0.02 -0.01 -0.03 0.00 0.05 0.00 0.00 59.36 59.39 2kkx h GLU 92 Cb 0.71 -0.03 -0.01 0.00 -1.65 0.00 0.00 28.75 27.77 2kkx h GLU 92 CO 0.04 0.08 0.05 0.77 0.05 0.00 0.00 179.01 180.00 2kkx h SER 93 N 0.13 0.42 -0.13 3.06 0.02 -2.01 -2.95 113.55 112.09 2kkx h SER 93 Ca 0.38 -0.25 -0.07 0.00 -0.84 0.00 0.00 61.79 61.01 2kkx h SER 93 Cb 0.66 -0.11 -0.00 0.00 0.14 0.00 0.00 62.40 63.08 2kkx h SER 93 CO -0.60 0.57 -0.18 0.40 -1.14 0.00 0.00 176.83 175.88 2kkx h ILE 94 N 0.26 1.37 -0.65 3.27 2.04 -1.32 -2.28 117.51 120.20 2kkx h ILE 94 Ca 0.08 -1.41 0.08 0.00 1.00 0.00 0.00 64.86 64.62 2kkx h ILE 94 Cb 0.32 1.99 -0.06 0.00 -0.74 0.00 0.00 36.82 38.33 2kkx h ILE 94 CO 0.00 0.41 0.31 1.56 0.00 0.00 0.00 178.15 180.44 2kkx h GLN 95 N -0.06 0.54 -0.39 2.37 1.08 -1.10 0.10 115.11 117.65 2kkx h GLN 95 Ca 0.01 -0.03 0.01 0.00 -1.45 0.00 0.00 58.65 57.19 2kkx h GLN 95 Cb 0.74 -0.12 -0.02 0.00 -0.05 0.00 0.00 27.48 28.03 2kkx h GLN 95 CO 0.04 0.36 0.25 -0.91 -0.95 0.00 0.00 178.83 177.62 2kkx h ASN 96 N 0.55 0.42 -0.89 1.46 2.35 -1.46 -2.70 115.58 115.30 2kkx h ASN 96 Ca 0.31 -0.01 -0.01 0.00 -0.55 0.00 0.00 56.30 56.05 2kkx h ASN 96 Cb 0.31 -0.10 -0.04 0.00 0.05 0.00 0.00 38.32 38.53 2kkx h ASN 96 CO -0.25 0.30 0.52 0.11 -1.65 0.00 0.00 177.43 176.46 2kkx h LYS 97 N 0.50 1.23 -0.62 0.81 6.56 -0.59 -2.59 116.57 121.87 2kkx h LYS 97 Ca 0.15 -0.13 -0.04 0.00 -1.06 0.00 0.00 60.65 59.57 2kkx h LYS 97 Cb -0.04 -0.25 -0.03 0.00 -0.57 0.00 0.00 32.23 31.34 2kkx h LYS 97 CO -0.04 0.88 0.24 0.82 -2.06 0.00 0.00 179.45 179.29 2kkx h ILE 98 N 1.24 1.22 -0.45 1.86 2.04 -0.66 0.23 117.51 123.00 2kkx h ILE 98 Ca 0.32 -0.70 -0.08 0.00 1.00 0.00 0.00 64.86 65.40 2kkx h ILE 98 Cb -0.01 0.48 -0.02 0.00 -0.74 0.00 0.00 36.82 36.53 2kkx h ILE 98 CO -0.06 0.28 -0.04 -1.28 0.00 0.00 0.00 178.15 177.06 2kkx h SER 99 N 0.90 0.74 0.66 1.72 0.87 -1.15 -2.09 113.55 115.19 2kkx h SER 99 Ca 0.21 -0.19 -0.27 0.00 -1.23 0.00 0.00 61.79 60.32 2kkx h SER 99 Cb 0.18 -0.20 -0.04 0.00 -0.44 0.00 0.00 62.40 61.91 2kkx h SER 99 CO -0.02 0.83 -1.44 1.56 -0.53 0.00 0.00 176.83 177.24 2kkx h GLN 100 N 0.71 0.05 0.00 2.24 4.20 -1.13 -3.37 115.11 117.81 2kkx h GLN 100 Ca 0.13 -0.08 0.00 0.00 0.06 0.00 0.00 58.65 58.77 2kkx h GLN 100 Cb 0.49 0.03 0.00 0.00 0.30 0.00 0.00 27.48 28.29 2kkx h GLN 100 CO 0.02 0.79 -0.67 0.00 -0.67 0.00 0.00 178.83 178.30 2kkx s LYS 102 N -3.24 0.99 0.14 0.00 -2.85 -0.79 -4.32 119.74 109.67 2kkx s LYS 102 Ca 0.04 0.40 -0.17 0.00 -1.00 0.00 0.00 55.97 55.24 2kkx s LYS 102 Cb 0.11 -1.81 0.04 0.00 -2.06 0.00 0.00 37.83 34.11 2kkx s LYS 102 CO 0.73 -2.32 0.45 -0.59 0.10 0.00 0.00 175.35 173.72 2kkx s PHE 103 N -3.16 -0.24 -0.63 1.78 -0.71 -0.81 -4.95 117.98 109.28 2kkx s PHE 103 Ca 0.64 -0.07 -0.26 0.00 -1.04 0.00 0.00 56.93 56.20 2kkx s PHE 103 Cb -0.16 0.32 -0.03 0.00 -1.21 0.00 0.00 43.02 41.95 2kkx s PHE 103 CO 0.55 -0.76 1.91 -1.12 -1.34 0.00 0.00 175.22 174.46 2kkx s SER 104 N -2.81 5.19 -0.61 1.98 0.01 -1.26 -2.28 113.70 113.92 2kkx s SER 104 Ca 0.04 0.31 -0.26 0.00 1.31 0.00 0.00 55.95 57.35 2kkx s SER 104 Cb 0.01 -2.53 -0.04 0.00 0.21 0.00 0.00 66.02 63.67 2kkx s SER 104 CO -0.11 -2.45 2.04 -0.69 0.41 0.00 0.00 173.24 172.44 2kkx s VAL 105 N 9.42 3.25 -0.43 3.43 1.01 0.06 -4.94 120.40 132.20 2kkx s VAL 105 Ca 0.70 0.09 -0.04 0.00 0.00 0.00 0.00 61.98 62.73 2kkx s VAL 105 Cb -0.12 -3.65 0.11 0.00 0.00 0.00 0.00 36.38 32.72 2kkx s VAL 105 CO 0.19 -0.63 0.23 0.00 0.00 0.00 0.00 175.10 174.90 2kkx h PRO 107 N 8.05 0.13 -0.24 0.00 0.11 -1.92 -0.35 132.00 137.78 2kkx h PRO 107 Ca -0.13 -0.01 -0.11 0.00 0.11 0.00 0.00 66.00 65.86 2kkx h PRO 107 Cb 1.05 -0.03 -0.00 0.00 0.11 0.00 0.00 31.00 32.12 2kkx h PRO 107 CO 0.72 0.09 -0.27 1.05 -0.21 0.00 0.00 178.00 179.38 2kkx h GLU 108 N 0.14 0.60 0.00 1.05 4.11 -1.95 -1.26 114.58 117.27 2kkx h GLU 108 Ca 0.40 -0.33 -0.15 0.00 0.07 0.00 0.00 59.36 59.36 2kkx h GLU 108 Cb 1.38 0.02 -0.02 0.00 0.50 0.00 0.00 28.75 30.63 2kkx h GLU 108 CO -0.06 0.93 -0.78 0.00 0.07 0.00 0.00 179.01 179.17 2kkx h ARG 109 N 0.31 0.00 0.00 1.06 3.08 -1.68 -2.94 114.38 114.22 2kkx h ARG 109 Ca 0.03 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.07 2kkx h ARG 109 Cb 0.83 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.88 2kkx h ARG 109 CO 0.06 0.62 -0.06 -0.07 -1.07 0.00 0.00 179.97 179.46 2kkx h LEU 110 N 0.00 0.00 2.49 3.04 3.38 -1.14 -3.48 115.31 119.60 2kkx h LEU 110 Ca -0.03 0.00 -0.39 0.00 0.09 0.00 0.00 57.88 57.55 2kkx h LEU 110 Cb 1.54 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 42.24 2kkx h LEU 110 CO 0.08 0.06 -0.47 0.00 0.09 0.00 0.00 178.44 178.21 2kkx n GLN 111 N -3.12 -1.70 -4.71 1.13 1.13 -0.50 -4.99 117.38 104.62 2kkx n GLN 111 Ca 0.03 0.99 -0.31 0.00 -1.94 0.00 0.00 57.00 55.77 2kkx n GLN 111 Cb 0.50 -5.58 -0.13 0.00 0.11 0.00 0.00 30.24 25.15 2kkx n GLN 111 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2kkx s PRO 113 N -1.37 1.67 0.23 0.00 0.04 -1.26 -4.73 135.00 129.57 2kkx s PRO 113 Ca 0.14 1.22 -0.07 0.00 0.04 0.00 0.00 61.00 62.33 2kkx s PRO 113 Cb -0.10 -1.83 0.31 0.00 0.04 0.00 0.00 34.50 32.91 2kkx s PRO 113 CO 0.05 -2.07 1.82 -0.07 0.04 0.00 0.00 177.00 176.76 2kkx h LEU 114 N -1.44 0.64 -1.14 -3.56 3.38 -1.96 -1.68 115.31 109.54 2kkx h LEU 114 Ca -0.45 0.03 -0.03 0.00 0.09 0.00 0.00 57.88 57.53 2kkx h LEU 114 Cb 1.25 -0.09 -0.03 0.00 0.09 0.00 0.00 40.66 41.88 2kkx h LEU 114 CO 0.49 0.39 0.28 1.05 0.09 0.00 0.00 178.44 180.75 2kkx h GLU 115 N 0.77 0.88 0.00 1.13 4.11 -1.96 -1.63 114.58 117.88 2kkx h GLU 115 Ca 0.34 -0.12 -0.04 0.00 0.07 0.00 0.00 59.36 59.61 2kkx h GLU 115 Cb 0.24 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.32 2kkx h GLU 115 CO -0.20 0.69 -0.18 0.00 0.07 0.00 0.00 179.01 179.39 2kkx h ALA 116 N 1.43 1.46 -0.09 1.06 0.00 -1.67 -2.70 119.26 118.76 2kkx h ALA 116 Ca 0.21 -0.17 -0.08 0.00 0.00 0.00 0.00 54.91 54.88 2kkx h ALA 116 Cb 0.12 -0.03 -0.07 0.00 0.00 0.00 0.00 17.79 17.80 2kkx h ALA 116 CO -0.03 0.23 -0.57 0.44 0.00 0.00 0.00 179.25 179.32 2kkx n ILE 117 N -3.98 2.13 -2.99 0.00 -5.35 -1.02 -4.79 119.36 103.37 2kkx n ILE 117 Ca -0.02 -3.25 -0.40 0.00 -0.27 0.00 0.00 62.75 58.81 2kkx n ILE 117 Cb 0.27 -0.28 -0.05 0.00 -1.74 0.00 0.00 39.64 37.84 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 -3.13 4.47 -0.21 6.28 0.74 -0.64 -4.19 119.66 122.98 2kkx s GLN 118 Ca 0.39 1.00 -0.29 0.00 0.05 0.00 0.00 55.36 56.52 2kkx s GLN 118 Cb 0.38 -3.42 -0.03 0.00 1.10 0.00 0.00 33.01 31.03 2kkx s GLN 118 CO -0.06 0.13 1.73 0.00 -0.55 0.00 0.00 175.29 176.53 2kkx n PRO 120 N 7.86 0.05 -0.02 0.00 -0.04 -1.26 -0.48 135.00 141.11 2kkx n PRO 120 Ca 0.20 0.30 -0.06 0.00 -0.04 0.00 0.00 63.50 63.90 2kkx n PRO 120 Cb 0.45 -1.60 -0.05 0.00 -0.04 0.00 0.00 33.50 32.26 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 0.65 0.00 0.52 2.04 -1.92 -3.39 117.51 115.41 2kkx h ILE 121 Ca 0.00 -1.36 0.00 0.00 1.00 0.00 0.00 64.86 64.50 2kkx h ILE 121 Cb 0.27 1.19 0.00 0.00 -0.74 0.00 0.00 36.82 37.54 2kkx h ILE 121 CO 0.00 0.21 -1.15 0.35 0.00 0.00 0.00 178.15 177.56 2kkx n THR 122 N -4.79 0.01 -2.19 -0.27 -2.24 -1.20 -4.97 114.28 98.63 2kkx n THR 122 Ca -0.05 -0.09 -0.20 0.00 -2.27 0.00 0.00 64.05 61.44 2kkx n THR 122 Cb 0.20 0.77 -0.03 0.00 -2.10 0.00 0.00 70.33 69.17 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 -1.65 -1.79 -4.88 3.22 7.99 0.37 -5.01 117.00 115.25 2kkx n LEU 123 Ca 0.03 0.10 -0.21 0.00 -0.01 0.00 0.00 56.01 55.92 2kkx n LEU 123 Cb 0.37 -2.79 -0.03 0.00 -0.11 0.00 0.00 43.42 40.86 2kkx n LEU 123 CO 0.43 -0.40 -0.06 -1.83 -1.51 0.00 0.00 177.39 174.02 2kkx s GLU 124 N -4.68 2.86 -0.55 3.23 -1.05 -1.23 -4.90 118.70 112.38 2kkx s GLU 124 Ca 0.00 -1.18 -0.16 0.00 -0.15 0.00 0.00 54.97 53.48 2kkx s GLU 124 Cb 0.00 -2.57 0.13 0.00 -0.44 0.00 0.00 34.13 31.24 2kkx s GLU 124 CO 0.00 0.15 0.53 -1.14 0.95 0.00 0.00 175.26 175.75 2kkx s GLN 125 N -4.01 3.01 0.83 -4.83 -0.44 -1.26 -0.53 119.66 112.44 2kkx s GLN 125 Ca 0.40 -1.68 -0.11 0.00 -2.50 0.00 0.00 55.36 51.47 2kkx s GLN 125 Cb -0.07 -4.30 0.09 0.00 -1.64 0.00 0.00 33.01 27.09 2kkx s GLN 125 CO 0.27 -1.36 1.09 -1.25 0.50 0.00 0.00 175.29 174.55 2kkx s PRO 126 N 1.70 1.78 0.06 1.67 0.04 -1.26 -4.99 135.00 134.00 2kkx s PRO 126 Ca 0.04 0.82 0.23 0.00 0.04 0.00 0.00 61.00 62.13 2kkx s PRO 126 Cb -0.29 -1.87 -0.06 0.00 0.04 0.00 0.00 34.50 32.32 2kkx s PRO 126 CO 0.03 -1.88 0.90 -0.85 0.04 0.00 0.00 177.00 175.24 2kkx n GLU 127 N -3.64 0.42 -3.79 4.56 0.28 -1.26 -4.59 120.64 112.62 2kkx n GLU 127 Ca 0.07 -0.02 -0.13 0.00 -0.16 0.00 0.00 57.16 56.92 2kkx n GLU 127 Cb 0.55 -1.62 -0.14 0.00 1.43 0.00 0.00 31.44 31.66 2kkx n GLU 127 CO 0.00 0.00 0.00 -1.59 -0.16 0.00 0.00 177.13 175.38 2kkx s LYS 128 N -3.29 0.09 -0.04 3.44 -2.85 -1.26 -0.77 119.74 115.07 2kkx s LYS 128 Ca 0.00 0.24 -0.29 0.00 -1.00 0.00 0.00 55.97 54.92 2kkx s LYS 128 Cb 0.13 -0.07 0.11 0.00 -2.06 0.00 0.00 37.83 35.94 2kkx s LYS 128 CO 0.83 -0.09 0.90 0.20 0.10 0.00 0.00 175.35 177.28 2kkx s GLY 129 N 0.60 -0.43 0.24 0.59 0.00 -0.97 -2.17 107.32 105.18 2kkx s GLY 129 Ca -0.04 1.23 0.09 0.00 0.00 0.00 0.00 44.72 45.99 2kkx s GLY 129 CO -0.03 0.51 0.04 -0.26 0.00 0.00 0.00 173.10 173.36 2kkx s ILE 130 N -2.62 3.73 -0.25 0.90 -4.36 0.29 -1.92 121.20 116.97 2kkx s ILE 130 Ca 0.03 -1.70 -0.09 0.00 -0.26 0.00 0.00 60.65 58.62 2kkx s ILE 130 Cb -0.01 -2.98 -0.04 0.00 1.25 0.00 0.00 42.46 40.68 2kkx s ILE 130 CO -0.06 -0.32 0.13 -0.36 0.24 0.00 0.00 174.94 174.58 2kkx s PHE 131 N -2.16 3.20 -0.14 1.37 0.40 -1.24 -1.01 117.98 118.39 2kkx s PHE 131 Ca 0.31 -0.03 0.02 0.00 -0.60 0.00 0.00 56.93 56.63 2kkx s PHE 131 Cb -0.07 -2.28 0.01 0.00 0.51 0.00 0.00 43.02 41.19 2kkx s PHE 131 CO 0.21 -0.14 -0.21 0.08 0.70 0.00 0.00 175.22 175.85 2kkx s VAL 132 N 1.42 2.12 -0.16 -0.44 1.01 -0.88 -1.14 120.40 122.34 2kkx s VAL 132 Ca 0.06 -0.96 -0.29 0.00 0.00 0.00 0.00 61.98 60.80 2kkx s VAL 132 Cb -0.15 -1.85 -0.04 0.00 0.00 0.00 0.00 36.38 34.34 2kkx s VAL 132 CO 0.06 0.55 1.61 -1.59 0.00 0.00 0.00 175.10 175.73 2kkx s LYS 133 N 0.85 3.96 -1.23 2.72 -2.85 -0.31 -1.82 119.74 121.06 2kkx s LYS 133 Ca -0.06 1.86 -0.21 0.00 -1.00 0.00 0.00 55.97 56.56 2kkx s LYS 133 Cb -0.15 -4.00 -0.01 0.00 -2.06 0.00 0.00 37.83 31.61 2kkx s LYS 133 CO -0.03 -1.10 1.83 -0.80 0.10 0.00 0.00 175.35 175.35 2kkx s ASN 134 N 3.79 5.93 0.44 0.03 0.01 0.01 -4.79 114.94 120.36 2kkx s ASN 134 Ca 0.71 -2.01 0.11 0.00 -0.71 0.00 0.00 52.86 50.96 2kkx s ASN 134 Cb -0.28 -2.58 0.99 0.00 0.41 0.00 0.00 41.25 39.79 2kkx s ASN 134 CO 0.28 -2.12 2.05 -1.28 -1.51 0.00 0.00 177.10 174.52 2kkx h SER 135 N 8.74 0.35 -0.55 -1.22 0.87 -1.86 -0.04 113.55 119.83 2kkx h SER 135 Ca 0.32 -0.00 -0.06 0.00 -1.23 0.00 0.00 61.79 60.82 2kkx h SER 135 Cb 0.91 -0.08 -0.02 0.00 -0.44 0.00 0.00 62.40 62.77 2kkx h SER 135 CO 1.34 0.24 0.11 -0.78 -0.53 0.00 0.00 176.83 177.21 2kkx h ASP 136 N 0.40 0.86 0.42 6.23 3.58 -1.98 -3.29 116.42 122.65 2kkx h ASP 136 Ca 0.16 -0.25 -0.02 0.00 0.42 0.00 0.00 57.03 57.34 2kkx h ASP 136 Cb 0.15 -0.23 0.00 0.00 1.72 0.00 0.00 39.33 40.97 2kkx h ASP 136 CO -0.04 0.89 -0.20 1.23 -2.88 0.00 0.00 179.24 178.24 2kkx h GLY 137 N 0.79 -0.58 0.00 -0.78 0.00 -1.66 -3.46 103.07 97.38 2kkx h GLY 137 Ca 0.17 0.22 0.00 0.00 0.00 0.00 0.00 47.33 47.72 2kkx h GLY 137 CO 0.01 -0.21 0.00 -1.26 0.00 0.00 0.00 176.54 175.07 2kkx n SER 138 N -3.67 0.00 -1.57 0.19 2.88 -0.73 -4.92 113.62 105.80 2kkx n SER 138 Ca -0.07 0.00 -0.17 0.00 -1.33 0.00 0.00 58.87 57.30 2kkx n SER 138 Cb 0.22 0.00 -0.05 0.00 -0.75 0.00 0.00 64.21 63.63 2kkx n SER 138 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 2kkx n ASP 139 N 0.00 -5.06 -4.60 -3.46 9.92 -0.13 -4.84 116.55 108.38 2kkx n ASP 139 Ca 0.00 0.25 -0.43 0.00 -0.53 0.00 0.00 54.79 54.08 2kkx n ASP 139 Cb 0.00 -4.10 -0.02 0.00 -0.64 0.00 0.00 41.12 36.36 2kkx n ASP 139 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 2kkx s VAL 140 N -2.72 3.97 0.00 2.53 1.01 -0.91 -2.80 120.40 121.48 2kkx s VAL 140 Ca 0.00 0.98 -0.26 0.00 0.00 0.00 0.00 61.98 62.70 2kkx s VAL 140 Cb 0.00 -4.30 -0.04 0.00 0.00 0.00 0.00 36.38 32.04 2kkx s VAL 140 CO 0.00 -0.82 0.82 0.00 0.00 0.00 0.00 175.10 175.10 2kkx s THR 142 N 0.51 2.11 -0.56 0.00 2.01 -0.75 -4.52 115.64 114.43 2kkx s THR 142 Ca 0.43 -1.65 -0.23 0.00 0.31 0.00 0.00 61.69 60.55 2kkx s THR 142 Cb -0.20 -1.87 0.05 0.00 0.01 0.00 0.00 72.50 70.49 2kkx s THR 142 CO 0.23 0.09 0.87 -0.22 -0.69 0.00 0.00 174.62 174.90 2kkx s LEU 143 N -1.90 4.39 -0.11 4.42 2.96 -1.26 -2.07 118.68 125.11 2kkx s LEU 143 Ca 0.12 -0.63 -0.11 0.00 -0.22 0.00 0.00 54.13 53.29 2kkx s LEU 143 Cb -0.10 -2.65 -0.05 0.00 0.50 0.00 0.00 46.19 43.90 2kkx s LEU 143 CO 0.05 -1.19 0.23 -0.36 -1.32 0.00 0.00 176.35 173.77 2kkx s PHE 144 N 3.63 3.58 0.28 5.38 0.08 -0.18 -3.62 117.98 127.13 2kkx s PHE 144 Ca 0.25 0.63 -0.30 0.00 0.12 0.00 0.00 56.93 57.62 2kkx s PHE 144 Cb -0.15 -2.13 -0.12 0.00 -0.57 0.00 0.00 43.02 40.04 2kkx s PHE 144 CO 0.15 0.56 1.56 -3.47 -0.10 0.00 0.00 175.22 173.92 2kkx n ASP 145 N 2.46 3.60 -0.31 1.36 2.03 -1.26 -0.55 116.55 123.88 2kkx n ASP 145 Ca -0.16 1.14 -0.00 0.00 0.52 0.00 0.00 54.79 56.29 2kkx n ASP 145 Cb 0.53 -1.55 0.13 0.00 -0.72 0.00 0.00 41.12 39.51 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 4.77 1.16 0.04 -1.67 0.00 -1.74 -0.71 119.26 121.12 2kkx h ALA 146 Ca -0.46 -0.02 -0.23 0.00 0.00 0.00 0.00 54.91 54.20 2kkx h ALA 146 Cb 1.24 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.76 2kkx h ALA 146 CO 0.79 0.32 -1.05 0.00 0.00 0.00 0.00 179.25 179.32 2kkx h ALA 147 N 1.39 0.31 -0.13 0.00 0.00 -1.91 -2.57 119.26 116.35 2kkx h ALA 147 Ca 0.36 -0.85 -0.19 0.00 0.00 0.00 0.00 54.91 54.23 2kkx h ALA 147 Cb 0.11 -0.08 0.01 0.00 0.00 0.00 0.00 17.79 17.83 2kkx h ALA 147 CO -0.15 1.07 -0.65 0.00 0.00 0.00 0.00 179.25 179.51 2kkx h ALA 148 N 0.86 0.25 -0.24 0.00 0.00 -1.80 0.11 119.26 118.43 2kkx h ALA 148 Ca -0.06 -0.56 -0.19 0.00 0.00 0.00 0.00 54.91 54.10 2kkx h ALA 148 Cb 1.77 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.55 2kkx h ALA 148 CO 0.16 0.54 -0.60 0.35 0.00 0.00 0.00 179.25 179.70 2kkx h PHE 149 N 0.34 1.03 -0.13 0.00 3.57 -1.26 -2.20 116.94 118.29 2kkx h PHE 149 Ca -0.05 -0.39 -0.02 0.00 3.53 0.00 0.00 57.97 61.05 2kkx h PHE 149 Cb 1.29 -0.19 -0.01 0.00 2.79 0.00 0.00 35.95 39.84 2kkx h PHE 149 CO 0.10 1.21 -0.02 1.03 -2.23 0.00 0.00 178.31 178.40 2kkx h SER 150 N 0.61 0.16 0.23 0.41 0.87 -1.44 -1.25 113.55 113.14 2kkx h SER 150 Ca -0.00 -0.02 -0.01 0.00 -1.23 0.00 0.00 61.79 60.53 2kkx h SER 150 Cb 1.20 -0.04 0.00 0.00 -0.44 0.00 0.00 62.40 63.12 2kkx h SER 150 CO 0.13 0.21 -0.11 -0.09 -0.53 0.00 0.00 176.83 176.44 2kkx h ARG 151 N 0.18 -0.30 -0.79 2.24 9.65 -0.75 -1.05 114.38 123.57 2kkx h ARG 151 Ca 0.04 0.02 0.08 0.00 -1.10 0.00 0.00 59.98 59.02 2kkx h ARG 151 Cb 0.15 0.07 -0.07 0.00 -1.39 0.00 0.00 29.97 28.74 2kkx h ARG 151 CO 0.00 -0.04 0.45 -0.07 2.80 0.00 0.00 179.97 183.11 2kkx h LEU 152 N -0.52 0.66 -0.05 3.80 3.38 -0.83 0.17 115.31 121.92 2kkx h LEU 152 Ca -0.03 0.04 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 2kkx h LEU 152 Cb 0.39 -0.09 -0.00 0.00 0.09 0.00 0.00 40.66 41.05 2kkx h LEU 152 CO 0.05 0.40 0.02 0.58 0.09 0.00 0.00 178.44 179.58 2kkx h VAL 153 N 0.79 1.14 0.00 1.22 2.07 -1.28 0.17 116.25 120.36 2kkx h VAL 153 Ca 0.37 -0.40 0.00 0.00 0.82 0.00 0.00 66.70 67.49 2kkx h VAL 153 Cb 0.29 1.31 0.00 0.00 -1.52 0.00 0.00 31.29 31.36 2kkx h VAL 153 CO -0.22 0.11 0.00 1.23 0.02 0.00 0.00 177.57 178.71 2kkx h GLY 154 N -0.07 0.00 0.66 2.17 0.00 -0.12 -0.93 103.07 104.79 2kkx h GLY 154 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.35 2kkx h GLY 154 CO -0.00 0.00 -0.80 1.18 0.00 0.00 0.00 176.54 176.92 2kkx n GLU 155 N -2.47 0.12 -2.08 4.80 -0.58 0.51 -4.98 120.64 115.96 2kkx n GLU 155 Ca 0.01 0.00 -0.04 0.00 -0.42 0.00 0.00 57.16 56.72 2kkx n GLU 155 Cb 0.21 -1.54 -0.00 0.00 -0.57 0.00 0.00 31.44 29.54 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 1.44 0.24 3.87 0.62 0.00 -0.35 -5.06 105.19 105.95 2kkx n GLY 156 Ca 0.04 -0.74 -0.33 0.00 0.00 0.00 0.00 46.02 44.99 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 -1.03 4.26 0.00 0.99 1.43 0.00 -5.04 118.68 119.29 2kkx s LEU 157 Ca 0.00 0.82 -0.11 0.00 -1.03 0.00 0.00 54.13 53.81 2kkx s LEU 157 Cb -0.00 -3.36 0.16 0.00 0.03 0.00 0.00 46.19 43.02 2kkx s LEU 157 CO 0.00 0.04 0.78 -0.81 0.23 0.00 0.00 176.35 176.59 2kkx n PRO 158 N 0.30 -1.39 -1.68 1.29 -0.04 -1.26 -4.42 135.00 127.80 2kkx n PRO 158 Ca -0.03 -1.21 -0.45 0.00 -0.04 0.00 0.00 63.50 61.77 2kkx n PRO 158 Cb 0.52 -0.92 -0.03 0.00 -0.04 0.00 0.00 33.50 33.03 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 -3.46 2.30 0.19 0.54 -0.00 -0.36 -4.87 115.22 109.56 2kkx n HIS 159 Ca 0.10 0.32 0.04 0.00 -0.00 0.00 0.00 57.72 58.18 2kkx n HIS 159 Cb 0.36 -2.52 0.36 0.00 -0.00 0.00 0.00 29.99 28.20 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 5.24 0.00 0.00 1.57 0.13 -1.94 -0.22 132.00 136.78 2kkx h PRO 160 Ca -0.45 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 64.63 2kkx h PRO 160 Cb 1.26 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.38 2kkx h PRO 160 CO 0.84 0.38 -0.49 -0.07 -0.23 0.00 0.00 178.00 178.43 2kkx h LEU 161 N 0.00 0.00 -0.18 1.56 3.38 -1.97 -3.42 115.31 114.67 2kkx h LEU 161 Ca -0.00 -0.24 0.00 0.00 0.09 0.00 0.00 57.88 57.73 2kkx h LEU 161 Cb 0.74 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.49 2kkx h LEU 161 CO 0.05 0.89 -0.49 1.07 0.09 0.00 0.00 178.44 180.05 2kkx n THR 162 N -4.61 0.00 -1.53 0.22 5.66 -1.25 -5.00 114.28 107.77 2kkx n THR 162 Ca -0.11 -0.25 -0.14 0.00 -3.05 0.00 0.00 64.05 60.49 2kkx n THR 162 Cb 0.32 1.03 -0.05 0.00 -1.55 0.00 0.00 70.33 70.08 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 -1.03 -0.99 -2.38 1.09 5.12 -0.10 -4.98 116.66 113.40 2kkx n ARG 163 Ca 0.03 0.95 -0.40 0.00 -1.93 0.00 0.00 57.85 56.50 2kkx n ARG 163 Cb 0.20 -5.07 -0.03 0.00 -1.16 0.00 0.00 32.46 26.40 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 -3.40 4.46 -0.12 5.56 0.41 -1.26 -4.45 118.70 119.89 2kkx s GLU 164 Ca 0.00 1.87 -0.29 0.00 -0.41 0.00 0.00 54.97 56.14 2kkx s GLU 164 Cb 0.00 -3.04 -0.06 0.00 -1.78 0.00 0.00 34.13 29.25 2kkx s GLU 164 CO 0.00 0.02 1.96 -1.25 -0.49 0.00 0.00 175.26 175.50 2kkx s PRO 165 N -1.73 3.70 0.17 0.39 0.04 -1.26 -1.22 135.00 135.08 2kkx s PRO 165 Ca 0.48 2.15 -0.32 0.00 0.04 0.00 0.00 61.00 63.36 2kkx s PRO 165 Cb -0.33 -4.20 -0.11 0.00 0.04 0.00 0.00 34.50 29.90 2kkx s PRO 165 CO 0.42 -1.45 1.74 0.42 0.04 0.00 0.00 177.00 178.18 2kkx s ILE 166 N 5.99 2.33 0.17 0.56 1.01 -1.26 -4.91 121.20 125.09 2kkx s ILE 166 Ca 0.88 0.10 -0.10 0.00 0.00 0.00 0.00 60.65 61.53 2kkx s ILE 166 Cb -0.34 -3.06 -0.01 0.00 0.01 0.00 0.00 42.46 39.06 2kkx s ILE 166 CO 0.36 0.00 0.30 0.28 0.00 0.00 0.00 174.94 175.89 2kkx s THR 167 N 1.83 0.06 0.33 2.92 -1.32 -1.26 -5.04 115.64 113.17 2kkx s THR 167 Ca 0.77 -1.34 0.38 0.00 -1.21 0.00 0.00 61.69 60.28 2kkx s THR 167 Cb -0.47 -1.82 0.41 0.00 -1.51 0.00 0.00 72.50 69.10 2kkx s THR 167 CO 0.34 -0.28 2.14 0.00 -2.21 0.00 0.00 174.62 174.60 2kkx h ALA 168 N 2.52 1.01 -0.38 11.08 0.00 -1.93 -3.09 119.26 128.46 2kkx h ALA 168 Ca -0.31 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.54 2kkx h ALA 168 Cb 1.23 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.00 2kkx h ALA 168 CO 0.47 0.01 0.05 0.77 0.00 0.00 0.00 179.25 180.55 2kkx h SER 169 N 0.00 0.62 0.51 0.00 0.02 -1.97 -3.26 113.55 109.47 2kkx h SER 169 Ca -0.00 -0.27 0.00 0.00 -0.84 0.00 0.00 61.79 60.68 2kkx h SER 169 Cb 0.31 -0.16 0.00 0.00 0.14 0.00 0.00 62.40 62.69 2kkx h SER 169 CO 0.00 0.73 -0.27 2.30 -1.14 0.00 0.00 176.83 178.45 2kkx n ILE 170 N -4.53 0.00 -3.54 3.27 -5.35 -1.17 -4.82 119.36 103.23 2kkx n ILE 170 Ca -0.01 -0.04 -0.36 0.00 -0.27 0.00 0.00 62.75 62.07 2kkx n ILE 170 Cb 0.24 0.05 -0.07 0.00 -1.74 0.00 0.00 39.64 38.12 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 -2.78 5.31 0.35 7.28 2.07 -1.23 -1.17 121.20 131.03 2kkx s ILE 171 Ca 0.18 0.54 0.05 0.00 -1.41 0.00 0.00 60.65 60.02 2kkx s ILE 171 Cb 0.19 -3.63 -0.03 0.00 0.13 0.00 0.00 42.46 39.12 2kkx s ILE 171 CO 0.58 0.39 0.21 0.68 -1.91 0.00 0.00 174.94 174.89 2kkx s VAL 172 N 0.49 0.23 0.27 4.00 -7.23 -0.30 -4.97 120.40 112.90 2kkx s VAL 172 Ca 0.16 -2.00 0.06 0.00 -1.81 0.00 0.00 61.98 58.39 2kkx s VAL 172 Cb -0.13 -2.44 -0.02 0.00 0.56 0.00 0.00 36.38 34.35 2kkx s VAL 172 CO 0.04 0.00 0.37 -0.54 -0.31 0.00 0.00 175.10 174.66 2kkx s LYS 173 N -3.60 3.26 0.52 4.82 1.02 -1.26 -3.64 119.74 120.87 2kkx s LYS 173 Ca 0.34 -0.89 0.30 0.00 0.02 0.00 0.00 55.97 55.74 2kkx s LYS 173 Cb 0.03 -2.82 1.37 0.00 -0.52 0.00 0.00 37.83 35.89 2kkx s LYS 173 CO 0.21 0.31 2.01 1.25 -0.92 0.00 0.00 175.35 178.21 2kkx h HIS 174 N 1.13 0.00 0.00 3.18 -0.00 -1.83 -1.65 115.15 115.99 2kkx h HIS 174 Ca -0.50 0.00 -0.08 0.00 -0.00 0.00 0.00 60.37 59.80 2kkx h HIS 174 Cb 1.24 0.00 -0.01 0.00 -0.00 0.00 0.00 27.41 28.64 2kkx h HIS 174 CO 0.46 0.11 -1.07 0.93 -0.00 0.00 0.00 177.93 178.35 2kkx h GLU 175 N 0.00 0.00 0.00 5.26 5.08 -1.96 -3.38 114.58 119.58 2kkx h GLU 175 Ca -0.00 0.00 -0.17 0.00 -1.00 0.00 0.00 59.36 58.19 2kkx h GLU 175 Cb 0.47 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.69 2kkx h GLU 175 CO 0.01 0.15 -1.01 1.49 -1.00 0.00 0.00 179.01 178.65 2kkx h GLU 176 N 0.00 0.00 -6.67 2.33 4.81 -1.81 -3.44 114.58 109.80 2kkx h GLU 176 Ca -0.07 0.00 -0.67 0.00 -0.13 0.00 0.00 59.36 58.49 2kkx h GLU 176 Cb 1.27 0.00 -0.18 0.00 0.63 0.00 0.00 28.75 30.47 2kkx h GLU 176 CO 0.02 0.55 -0.79 0.00 -0.73 0.00 0.00 179.01 178.06 2kkx s ILE 178 N -1.23 0.91 -0.21 0.00 -0.00 -0.57 -4.66 121.20 115.45 2kkx s ILE 178 Ca 0.19 -2.00 -0.29 0.00 -0.00 0.00 0.00 60.65 58.55 2kkx s ILE 178 Cb -0.10 -1.83 -0.03 0.00 -0.00 0.00 0.00 42.46 40.50 2kkx s ILE 178 CO 0.11 -0.75 1.64 -0.72 -0.00 0.00 0.00 174.94 175.22 2kkx s TYR 179 N -3.49 2.05 -0.12 1.37 1.13 -1.26 -1.15 117.35 115.89 2kkx s TYR 179 Ca 0.16 0.51 -0.18 0.00 -1.41 0.00 0.00 57.07 56.15 2kkx s TYR 179 Cb 0.04 -3.99 -0.04 0.00 -1.10 0.00 0.00 41.96 36.88 2kkx s TYR 179 CO -0.01 -3.05 0.48 0.34 -2.51 0.00 0.00 175.55 170.80 2kkx s ASP 180 N 4.34 6.69 -0.02 -0.18 -1.08 -0.46 -4.87 116.67 121.08 2kkx s ASP 180 Ca 0.73 0.82 -0.24 0.00 -0.52 0.00 0.00 52.55 53.34 2kkx s ASP 180 Cb -0.26 -2.29 -0.20 0.00 -1.46 0.00 0.00 42.92 38.72 2kkx s ASP 180 CO 0.30 -0.00 1.18 -0.78 0.52 0.00 0.00 175.17 176.39 2kkx h ASP 181 N 6.73 0.21 1.36 -0.34 1.82 -1.94 -0.58 116.42 123.66 2kkx h ASP 181 Ca -0.41 -0.61 -0.10 0.00 -0.39 0.00 0.00 57.03 55.52 2kkx h ASP 181 Cb 1.18 -0.06 -0.01 0.00 0.68 0.00 0.00 39.33 41.11 2kkx h ASP 181 CO 0.76 0.78 -0.47 0.00 -1.61 0.00 0.00 179.24 178.70 2kkx h THR 182 N -0.36 0.86 0.01 2.25 1.03 -1.95 -2.45 112.91 112.30 2kkx h THR 182 Ca -0.00 -2.06 -0.19 0.00 -0.01 0.00 0.00 66.41 64.14 2kkx h THR 182 Cb 0.76 2.32 -0.02 0.00 -1.07 0.00 0.00 68.15 70.14 2kkx h THR 182 CO 0.03 0.46 -0.88 0.03 -0.01 0.00 0.00 175.52 175.15 2kkx h ARG 183 N 0.00 0.06 0.00 0.00 2.47 -2.00 -3.48 114.38 111.43 2kkx h ARG 183 Ca -0.00 -0.07 0.00 0.00 -1.26 0.00 0.00 59.98 58.65 2kkx h ARG 183 Cb 1.28 0.02 0.00 0.00 -1.65 0.00 0.00 29.97 29.62 2kkx h ARG 183 CO 0.06 0.90 0.00 0.41 0.56 0.00 0.00 179.97 181.90 2kkx n GLY 184 N 0.95 0.72 3.66 0.04 0.00 -0.32 -5.03 105.19 105.21 2kkx n GLY 184 Ca -0.01 -0.24 -0.01 0.00 0.00 0.00 0.00 46.02 45.75 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 -2.22 -0.12 0.06 1.61 2.47 -0.62 -4.97 114.94 111.15 2kkx s ASN 185 Ca 0.00 -0.22 -0.30 0.00 0.42 0.00 0.00 52.86 52.76 2kkx s ASN 185 Cb 0.00 0.29 -0.09 0.00 -1.45 0.00 0.00 41.25 40.00 2kkx s ASN 185 CO 0.00 -0.54 1.94 -0.36 -3.72 0.00 0.00 177.10 174.42 2kkx s PHE 186 N -2.78 1.51 0.39 0.43 0.40 -1.26 -1.35 117.98 115.32 2kkx s PHE 186 Ca 0.13 -0.35 0.04 0.00 -0.60 0.00 0.00 56.93 56.15 2kkx s PHE 186 Cb 0.02 -4.24 -0.02 0.00 0.51 0.00 0.00 43.02 39.29 2kkx s PHE 186 CO -0.02 -5.42 0.15 0.96 0.70 0.00 0.00 175.22 171.59 2kkx s ILE 187 N 3.97 0.49 0.30 0.64 -4.36 -0.30 -0.46 121.20 121.49 2kkx s ILE 187 Ca 0.87 -2.00 -0.29 0.00 -0.26 0.00 0.00 60.65 58.97 2kkx s ILE 187 Cb -0.44 -2.37 -0.10 0.00 1.25 0.00 0.00 42.46 40.80 2kkx s ILE 187 CO 0.40 0.00 1.17 -0.63 0.24 0.00 0.00 174.94 176.13 2kkx s ILE 188 N -3.26 3.20 0.59 8.37 -1.09 -1.12 -1.51 121.20 126.38 2kkx s ILE 188 Ca 0.27 1.20 -0.20 0.00 -2.23 0.00 0.00 60.65 59.69 2kkx s ILE 188 Cb 0.02 -3.76 -0.03 0.00 -1.58 0.00 0.00 42.46 37.11 2kkx s ILE 188 CO 0.17 0.28 1.33 -0.54 -1.23 0.00 0.00 174.94 174.95 2kkx s LYS 189 N -1.61 2.86 0.00 2.79 1.02 -1.10 -4.69 119.74 119.01 2kkx s LYS 189 Ca 0.47 2.16 0.00 0.00 0.02 0.00 0.00 55.97 58.62 2kkx s LYS 189 Cb -0.35 -2.06 0.00 0.00 -0.52 0.00 0.00 37.83 34.90 2kkx s LYS 189 CO 0.45 -1.38 0.00 0.41 -0.92 0.00 0.00 175.35 173.91 2kkx n GLY 190 N 0.80 0.53 0.00 -3.33 0.00 -1.26 -5.06 105.19 96.87 2kkx n GLY 190 Ca 0.13 -0.66 0.00 0.00 0.00 0.00 0.00 46.02 45.48 2kkx n GLY 190 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31