#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 1.03 -0.45 -1.46 7.50 -1.98 -3.30 115.11 116.44 2kkx h GLN 91 Ca 0.00 -0.39 0.09 0.00 0.50 0.00 0.00 58.65 58.86 2kkx h GLN 91 Cb 0.00 -0.06 -0.09 0.00 0.05 0.00 0.00 27.48 27.37 2kkx h GLN 91 CO 0.00 1.08 -0.19 1.05 -1.50 0.00 0.00 178.83 179.27 2kkx h GLU 92 N 0.91 -0.09 -0.13 1.46 4.11 -1.99 -0.96 114.58 117.89 2kkx h GLU 92 Ca 0.14 0.01 -0.15 0.00 0.07 0.00 0.00 59.36 59.43 2kkx h GLU 92 Cb 0.69 0.02 0.01 0.00 0.50 0.00 0.00 28.75 29.97 2kkx h GLU 92 CO 0.05 -0.06 -0.50 1.03 0.07 0.00 0.00 179.01 179.60 2kkx h SER 93 N -0.09 0.66 -0.05 3.06 0.87 -2.00 -2.53 113.55 113.46 2kkx h SER 93 Ca 0.22 -0.62 -0.00 0.00 -1.23 0.00 0.00 61.79 60.15 2kkx h SER 93 Cb 0.43 -0.19 -0.00 0.00 -0.44 0.00 0.00 62.40 62.19 2kkx h SER 93 CO -0.52 1.17 0.03 0.40 -0.53 0.00 0.00 176.83 177.38 2kkx h ILE 94 N 0.19 1.11 0.00 2.23 2.04 -1.54 -1.16 117.51 120.39 2kkx h ILE 94 Ca -0.03 -0.32 -0.08 0.00 1.00 0.00 0.00 64.86 65.43 2kkx h ILE 94 Cb 1.13 1.23 -0.01 0.00 -0.74 0.00 0.00 36.82 38.43 2kkx h ILE 94 CO 0.10 0.09 -0.36 1.56 0.00 0.00 0.00 178.15 179.54 2kkx h GLN 95 N -0.04 0.00 -0.59 2.37 4.20 -1.27 -1.04 115.11 118.74 2kkx h GLN 95 Ca 0.02 0.00 -0.02 0.00 0.06 0.00 0.00 58.65 58.71 2kkx h GLN 95 Cb 0.13 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 27.88 2kkx h GLN 95 CO -0.00 0.36 0.28 -0.91 -0.67 0.00 0.00 178.83 177.89 2kkx h ASN 96 N 0.00 0.77 -0.89 1.46 2.35 -1.10 -2.16 115.58 116.00 2kkx h ASN 96 Ca -0.00 -0.13 -0.01 0.00 -0.55 0.00 0.00 56.30 55.61 2kkx h ASN 96 Cb 0.66 -0.20 -0.04 0.00 0.05 0.00 0.00 38.32 38.79 2kkx h ASN 96 CO 0.05 0.68 0.53 0.11 -1.65 0.00 0.00 177.43 177.15 2kkx h LYS 97 N 0.80 1.21 -0.76 0.81 6.56 -0.23 -2.54 116.57 122.42 2kkx h LYS 97 Ca 0.20 -0.11 -0.02 0.00 -1.06 0.00 0.00 60.65 59.67 2kkx h LYS 97 Cb 0.12 -0.25 -0.04 0.00 -0.57 0.00 0.00 32.23 31.49 2kkx h LYS 97 CO -0.03 0.85 0.42 0.82 -2.06 0.00 0.00 179.45 179.45 2kkx h ILE 98 N 1.22 1.23 -0.09 1.86 2.04 -0.98 0.14 117.51 122.93 2kkx h ILE 98 Ca 0.32 -0.57 -0.13 0.00 1.00 0.00 0.00 64.86 65.49 2kkx h ILE 98 Cb -0.05 0.19 -0.01 0.00 -0.74 0.00 0.00 36.82 36.22 2kkx h ILE 98 CO -0.06 0.25 -0.51 0.28 0.00 0.00 0.00 178.15 178.12 2kkx h SER 99 N 1.07 0.26 0.25 1.72 0.02 -0.99 -2.28 113.55 113.59 2kkx h SER 99 Ca 0.27 -0.13 -0.34 0.00 -0.84 0.00 0.00 61.79 60.75 2kkx h SER 99 Cb 0.03 -0.07 0.02 0.00 0.14 0.00 0.00 62.40 62.51 2kkx h SER 99 CO -0.04 0.72 -1.64 1.56 -1.14 0.00 0.00 176.83 176.29 2kkx h GLN 100 N 0.19 0.43 0.00 3.45 4.20 -1.10 -3.37 115.11 118.91 2kkx h GLN 100 Ca 0.01 -0.73 0.00 0.00 0.06 0.00 0.00 58.65 57.99 2kkx h GLN 100 Cb 0.96 0.27 0.00 0.00 0.30 0.00 0.00 27.48 29.01 2kkx h GLN 100 CO 0.08 1.34 -0.01 0.00 -0.67 0.00 0.00 178.83 179.56 2kkx s LYS 102 N -3.21 1.79 0.09 0.00 -2.85 -0.86 -4.21 119.74 110.49 2kkx s LYS 102 Ca 0.07 1.00 -0.10 0.00 -1.00 0.00 0.00 55.97 55.94 2kkx s LYS 102 Cb 0.05 -1.86 0.01 0.00 -2.06 0.00 0.00 37.83 33.97 2kkx s LYS 102 CO 0.67 -1.93 0.23 -0.59 0.10 0.00 0.00 175.35 173.83 2kkx s PHE 103 N -2.92 0.08 -0.65 1.78 -0.71 -0.61 -4.92 117.98 110.02 2kkx s PHE 103 Ca 0.62 -0.48 -0.26 0.00 -1.04 0.00 0.00 56.93 55.77 2kkx s PHE 103 Cb -0.17 -0.00 -0.03 0.00 -1.21 0.00 0.00 43.02 41.60 2kkx s PHE 103 CO 0.56 -0.56 1.96 -1.54 -1.34 0.00 0.00 175.22 174.30 2kkx s SER 104 N -2.80 5.10 -0.67 1.98 1.04 -1.26 -2.03 113.70 115.06 2kkx s SER 104 Ca 0.04 0.24 -0.26 0.00 0.48 0.00 0.00 55.95 56.45 2kkx s SER 104 Cb 0.04 -2.53 -0.03 0.00 0.10 0.00 0.00 66.02 63.60 2kkx s SER 104 CO -0.11 -2.55 1.92 -0.69 0.98 0.00 0.00 173.24 172.79 2kkx s VAL 105 N 9.81 3.35 -0.43 5.02 1.01 -0.18 -4.94 120.40 134.03 2kkx s VAL 105 Ca 0.72 0.06 -0.08 0.00 0.00 0.00 0.00 61.98 62.68 2kkx s VAL 105 Cb -0.12 -3.88 0.10 0.00 0.00 0.00 0.00 36.38 32.47 2kkx s VAL 105 CO 0.17 -0.85 0.28 0.00 0.00 0.00 0.00 175.10 174.70 2kkx h PRO 107 N 8.35 0.00 -0.21 0.00 0.13 -1.92 -1.19 132.00 137.15 2kkx h PRO 107 Ca -0.20 0.00 -0.13 0.00 -0.87 0.00 0.00 66.00 64.79 2kkx h PRO 107 Cb 1.07 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.19 2kkx h PRO 107 CO 0.78 0.00 -0.43 1.05 -0.23 0.00 0.00 178.00 179.17 2kkx h GLU 108 N 0.00 0.51 0.05 0.86 4.11 -1.93 -2.99 114.58 115.19 2kkx h GLU 108 Ca 0.25 -0.27 -0.36 0.00 0.07 0.00 0.00 59.36 59.05 2kkx h GLU 108 Cb 1.02 0.01 -0.04 0.00 0.50 0.00 0.00 28.75 30.23 2kkx h GLU 108 CO -0.00 0.85 -2.10 0.54 0.07 0.00 0.00 179.01 178.37 2kkx n ARG 109 N -4.01 0.70 0.23 1.06 1.74 -0.67 -4.17 116.66 111.53 2kkx n ARG 109 Ca -0.02 0.21 0.15 0.00 -0.77 0.00 0.00 57.85 57.42 2kkx n ARG 109 Cb 0.53 -1.66 0.58 0.00 -1.02 0.00 0.00 32.46 30.89 2kkx n ARG 109 CO 0.00 0.00 0.00 -0.07 -1.52 0.00 0.00 177.63 176.04 2kkx h LEU 110 N 0.03 0.00 0.63 0.55 3.38 -1.35 -3.47 115.31 115.09 2kkx h LEU 110 Ca -0.45 0.00 -0.27 0.00 0.09 0.00 0.00 57.88 57.25 2kkx h LEU 110 Cb 2.03 0.00 -0.11 0.00 0.09 0.00 0.00 40.66 42.67 2kkx h LEU 110 CO 0.04 0.00 -0.25 0.00 0.09 0.00 0.00 178.44 178.32 2kkx n GLN 111 N -2.84 -1.31 -4.04 1.13 1.13 -1.13 -5.00 117.38 105.32 2kkx n GLN 111 Ca 0.01 0.95 -0.34 0.00 -1.94 0.00 0.00 57.00 55.68 2kkx n GLN 111 Cb 0.31 -5.18 -0.10 0.00 0.11 0.00 0.00 30.24 25.38 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 0.42 0.30 0.19 0.00 0.04 -1.26 -4.68 135.00 130.01 2kkx s PRO 113 Ca 0.02 0.89 -0.12 0.00 0.04 0.00 0.00 61.00 61.84 2kkx s PRO 113 Cb -0.13 -1.69 0.22 0.00 0.04 0.00 0.00 34.50 32.94 2kkx s PRO 113 CO 0.01 -2.92 1.72 -0.07 0.04 0.00 0.00 177.00 175.78 2kkx h LEU 114 N -2.04 0.03 -0.80 -3.56 3.38 -1.96 -1.20 115.31 109.16 2kkx h LEU 114 Ca -0.54 0.09 0.14 0.00 0.09 0.00 0.00 57.88 57.67 2kkx h LEU 114 Cb 1.31 0.12 -0.09 0.00 0.09 0.00 0.00 40.66 42.08 2kkx h LEU 114 CO 0.51 0.04 0.38 1.05 0.09 0.00 0.00 178.44 180.51 2kkx h GLU 115 N 0.26 0.53 0.00 1.13 4.11 -1.96 0.16 114.58 118.82 2kkx h GLU 115 Ca 0.27 -0.03 -0.07 0.00 0.07 0.00 0.00 59.36 59.59 2kkx h GLU 115 Cb 0.36 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.48 2kkx h GLU 115 CO -0.34 0.35 -0.35 0.00 0.07 0.00 0.00 179.01 178.74 2kkx h ALA 116 N 1.54 1.38 0.00 1.06 0.00 -1.57 -2.84 119.26 118.84 2kkx h ALA 116 Ca 0.43 -0.32 -0.02 0.00 0.00 0.00 0.00 54.91 55.00 2kkx h ALA 116 Cb 0.62 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 18.31 2kkx h ALA 116 CO -0.37 0.44 -0.52 0.44 0.00 0.00 0.00 179.25 179.24 2kkx n ILE 117 N -4.07 1.97 -2.36 0.00 -5.35 -0.94 -4.87 119.36 103.75 2kkx n ILE 117 Ca -0.02 -2.97 -0.43 0.00 -0.27 0.00 0.00 62.75 59.07 2kkx n ILE 117 Cb 0.40 -0.12 -0.02 0.00 -1.74 0.00 0.00 39.64 38.15 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 -2.90 4.26 -0.21 6.28 2.00 0.53 -4.35 119.66 125.28 2kkx s GLN 118 Ca 0.37 1.76 -0.29 0.00 -2.00 0.00 0.00 55.36 55.20 2kkx s GLN 118 Cb 0.37 -3.72 -0.03 0.00 0.80 0.00 0.00 33.01 30.43 2kkx s GLN 118 CO -0.07 -0.65 1.66 0.00 -0.50 0.00 0.00 175.29 175.73 2kkx n PRO 120 N 7.70 0.11 -0.05 0.00 -0.04 -1.26 -0.66 135.00 140.80 2kkx n PRO 120 Ca 0.19 0.37 -0.12 0.00 -0.04 0.00 0.00 63.50 63.90 2kkx n PRO 120 Cb 0.45 -1.72 -0.10 0.00 -0.04 0.00 0.00 33.50 32.09 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 1.42 0.00 0.52 2.04 -1.91 -3.39 117.51 116.19 2kkx h ILE 121 Ca 0.00 -1.95 0.00 0.00 1.00 0.00 0.00 64.86 63.91 2kkx h ILE 121 Cb 0.29 2.62 0.00 0.00 -0.74 0.00 0.00 36.82 39.00 2kkx h ILE 121 CO 0.00 0.46 -1.64 0.35 0.00 0.00 0.00 178.15 177.32 2kkx n THR 122 N -4.68 0.19 -3.58 -0.27 -2.24 -1.18 -5.00 114.28 97.52 2kkx n THR 122 Ca -0.08 -0.49 -0.21 0.00 -2.27 0.00 0.00 64.05 61.00 2kkx n THR 122 Cb 0.37 -0.07 0.07 0.00 -2.10 0.00 0.00 70.33 68.60 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 -2.36 -3.52 -3.82 3.22 7.99 0.16 -5.04 117.00 113.63 2kkx n LEU 123 Ca -0.02 -0.67 -0.11 0.00 -0.01 0.00 0.00 56.01 55.19 2kkx n LEU 123 Cb 0.55 -2.94 -0.09 0.00 -0.11 0.00 0.00 43.42 40.84 2kkx n LEU 123 CO 0.44 0.46 -0.07 -1.83 -1.51 0.00 0.00 177.39 174.88 2kkx s GLU 124 N -5.85 0.66 -0.35 3.23 -1.05 -1.23 -4.97 118.70 109.15 2kkx s GLU 124 Ca 0.20 -0.46 -0.29 0.00 -0.15 0.00 0.00 54.97 54.27 2kkx s GLU 124 Cb -0.09 0.28 0.01 0.00 -0.44 0.00 0.00 34.13 33.89 2kkx s GLU 124 CO 0.76 -0.19 1.30 -1.14 0.95 0.00 0.00 175.26 176.94 2kkx s GLN 125 N -2.02 3.82 0.74 -4.83 -0.44 -1.26 -1.78 119.66 113.89 2kkx s GLN 125 Ca -0.09 1.09 -0.11 0.00 -2.50 0.00 0.00 55.36 53.75 2kkx s GLN 125 Cb -0.03 -3.91 0.04 0.00 -1.64 0.00 0.00 33.01 27.47 2kkx s GLN 125 CO -0.01 -1.25 1.11 -1.25 0.50 0.00 0.00 175.29 174.40 2kkx s PRO 126 N 4.36 2.47 0.20 1.67 0.04 -1.26 -4.99 135.00 137.49 2kkx s PRO 126 Ca 0.56 0.25 0.18 0.00 0.04 0.00 0.00 61.00 62.03 2kkx s PRO 126 Cb -0.15 -2.02 0.01 0.00 0.04 0.00 0.00 34.50 32.39 2kkx s PRO 126 CO 0.26 -1.25 1.15 1.05 0.04 0.00 0.00 177.00 178.25 2kkx h GLU 127 N -0.78 0.00 -3.45 4.56 4.11 -1.94 -3.42 114.58 113.66 2kkx h GLU 127 Ca -0.45 0.00 -0.19 0.00 0.07 0.00 0.00 59.36 58.78 2kkx h GLU 127 Cb 1.29 0.00 -0.26 0.00 0.50 0.00 0.00 28.75 30.27 2kkx h GLU 127 CO 0.64 0.24 -0.57 -1.59 0.07 0.00 0.00 179.01 177.80 2kkx s LYS 128 N -3.08 0.17 -0.03 1.06 -2.85 -1.26 -1.01 119.74 112.74 2kkx s LYS 128 Ca 0.01 0.13 -0.29 0.00 -1.00 0.00 0.00 55.97 54.82 2kkx s LYS 128 Cb 0.08 0.08 0.10 0.00 -2.06 0.00 0.00 37.83 36.03 2kkx s LYS 128 CO 0.77 -0.02 0.87 0.20 0.10 0.00 0.00 175.35 177.27 2kkx s GLY 129 N -0.04 -0.44 0.28 0.59 0.00 -0.86 -2.48 107.32 104.37 2kkx s GLY 129 Ca -0.01 1.22 0.09 0.00 0.00 0.00 0.00 44.72 46.01 2kkx s GLY 129 CO 0.00 0.52 0.08 -0.26 0.00 0.00 0.00 173.10 173.45 2kkx s ILE 130 N -2.59 3.60 -0.28 0.90 -4.36 0.45 -1.58 121.20 117.35 2kkx s ILE 130 Ca 0.02 -1.73 -0.09 0.00 -0.26 0.00 0.00 60.65 58.60 2kkx s ILE 130 Cb -0.01 -3.02 -0.02 0.00 1.25 0.00 0.00 42.46 40.66 2kkx s ILE 130 CO -0.06 -0.32 0.11 -0.36 0.24 0.00 0.00 174.94 174.56 2kkx s PHE 131 N -2.30 3.14 -0.16 1.37 0.08 -1.23 -1.14 117.98 117.74 2kkx s PHE 131 Ca 0.33 -0.44 -0.01 0.00 0.12 0.00 0.00 56.93 56.93 2kkx s PHE 131 Cb -0.06 -2.30 -0.01 0.00 -0.57 0.00 0.00 43.02 40.09 2kkx s PHE 131 CO 0.22 -0.38 -0.12 0.08 -0.10 0.00 0.00 175.22 174.92 2kkx s VAL 132 N 1.63 2.94 -0.28 -0.44 1.01 -0.86 -1.22 120.40 123.17 2kkx s VAL 132 Ca 0.06 -0.67 -0.29 0.00 0.00 0.00 0.00 61.98 61.07 2kkx s VAL 132 Cb -0.16 -2.26 -0.01 0.00 0.00 0.00 0.00 36.38 33.95 2kkx s VAL 132 CO 0.05 0.50 1.41 -1.59 0.00 0.00 0.00 175.10 175.48 2kkx s LYS 133 N 0.82 3.85 -1.20 2.72 -2.85 -0.17 -2.01 119.74 120.90 2kkx s LYS 133 Ca -0.04 1.36 -0.22 0.00 -1.00 0.00 0.00 55.97 56.07 2kkx s LYS 133 Cb -0.15 -3.94 -0.05 0.00 -2.06 0.00 0.00 37.83 31.62 2kkx s LYS 133 CO 0.00 -1.21 1.89 1.21 0.10 0.00 0.00 175.35 177.34 2kkx s ASN 134 N 3.35 5.41 0.04 0.03 3.84 0.56 -4.80 114.94 123.39 2kkx s ASN 134 Ca 0.62 -1.81 -0.24 0.00 0.21 0.00 0.00 52.86 51.64 2kkx s ASN 134 Cb -0.19 -2.59 -0.16 0.00 -0.55 0.00 0.00 41.25 37.76 2kkx s ASN 134 CO 0.26 -2.67 1.52 -1.28 -2.79 0.00 0.00 177.10 172.13 2kkx h SER 135 N 9.31 0.06 0.34 -4.21 0.87 -1.87 -0.87 113.55 117.19 2kkx h SER 135 Ca 0.26 -0.24 -0.05 0.00 -1.23 0.00 0.00 61.79 60.53 2kkx h SER 135 Cb 0.93 -0.02 -0.01 0.00 -0.44 0.00 0.00 62.40 62.86 2kkx h SER 135 CO 1.27 0.29 -0.23 -0.78 -0.53 0.00 0.00 176.83 176.85 2kkx h ASP 136 N -0.16 0.00 0.24 6.23 3.58 -1.98 -2.19 116.42 122.15 2kkx h ASP 136 Ca 0.01 0.00 -0.01 0.00 0.42 0.00 0.00 57.03 57.45 2kkx h ASP 136 Cb 0.25 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.30 2kkx h ASP 136 CO 0.00 0.23 -0.12 1.23 -2.88 0.00 0.00 179.24 177.70 2kkx h GLY 137 N 0.92 -0.34 -0.73 -0.78 0.00 -1.93 -3.45 103.07 96.75 2kkx h GLY 137 Ca -0.00 0.13 0.00 0.00 0.00 0.00 0.00 47.33 47.45 2kkx h GLY 137 CO 0.03 -0.12 0.00 1.44 0.00 0.00 0.00 176.54 177.88 2kkx n SER 138 N -3.49 0.00 -1.15 0.19 7.64 -1.02 -5.00 113.62 110.80 2kkx n SER 138 Ca -0.04 -0.92 -0.14 0.00 1.01 0.00 0.00 58.87 58.78 2kkx n SER 138 Cb 0.13 0.00 -0.05 0.00 -1.01 0.00 0.00 64.21 63.28 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 -4.55 -4.79 6.43 2.03 -0.36 -4.99 116.55 110.32 2kkx n ASP 139 Ca 0.00 0.26 -0.37 0.00 0.52 0.00 0.00 54.79 55.20 2kkx n ASP 139 Cb 0.46 -3.35 -0.07 0.00 -0.72 0.00 0.00 41.12 37.45 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 -2.54 5.27 0.11 5.18 1.01 -1.05 -3.93 120.40 124.46 2kkx s VAL 140 Ca 0.00 0.56 -0.22 0.00 0.00 0.00 0.00 61.98 62.32 2kkx s VAL 140 Cb 0.00 -3.61 -0.07 0.00 0.00 0.00 0.00 36.38 32.70 2kkx s VAL 140 CO 0.00 0.48 0.66 0.00 0.00 0.00 0.00 175.10 176.25 2kkx s THR 142 N -1.10 1.44 -0.41 0.00 2.01 -0.85 -4.47 115.64 112.27 2kkx s THR 142 Ca 0.32 -1.28 -0.25 0.00 0.31 0.00 0.00 61.69 60.79 2kkx s THR 142 Cb -0.21 -1.30 0.02 0.00 0.01 0.00 0.00 72.50 71.02 2kkx s THR 142 CO 0.22 -0.01 0.89 -0.22 -0.69 0.00 0.00 174.62 174.81 2kkx s LEU 143 N -1.51 4.04 -0.10 4.42 2.96 -1.26 -2.03 118.68 125.19 2kkx s LEU 143 Ca 0.04 0.33 -0.02 0.00 -0.22 0.00 0.00 54.13 54.26 2kkx s LEU 143 Cb -0.09 -3.18 -0.03 0.00 0.50 0.00 0.00 46.19 43.39 2kkx s LEU 143 CO 0.03 -0.91 -0.03 -0.36 -1.32 0.00 0.00 176.35 173.75 2kkx s PHE 144 N 3.51 3.06 0.32 5.38 0.08 -0.29 -4.16 117.98 125.87 2kkx s PHE 144 Ca 0.36 0.01 -0.29 0.00 0.12 0.00 0.00 56.93 57.13 2kkx s PHE 144 Cb -0.11 -1.81 -0.12 0.00 -0.57 0.00 0.00 43.02 40.40 2kkx s PHE 144 CO 0.22 0.29 1.48 -3.47 -0.10 0.00 0.00 175.22 173.64 2kkx n ASP 145 N 2.55 3.50 -0.17 1.36 2.03 -1.26 -0.41 116.55 124.15 2kkx n ASP 145 Ca -0.18 1.18 -0.05 0.00 0.52 0.00 0.00 54.79 56.27 2kkx n ASP 145 Cb 0.53 -1.56 0.05 0.00 -0.72 0.00 0.00 41.12 39.42 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 3.75 0.67 -0.04 -1.67 0.00 -1.79 -0.97 119.26 119.21 2kkx h ALA 146 Ca -0.48 0.01 -0.19 0.00 0.00 0.00 0.00 54.91 54.25 2kkx h ALA 146 Cb 1.25 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.93 2kkx h ALA 146 CO 0.71 -0.04 -0.80 0.00 0.00 0.00 0.00 179.25 179.12 2kkx h ALA 147 N 1.26 0.55 -0.12 0.00 0.00 -1.91 -2.54 119.26 116.50 2kkx h ALA 147 Ca 0.22 -0.65 -0.13 0.00 0.00 0.00 0.00 54.91 54.35 2kkx h ALA 147 Cb 0.09 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.83 2kkx h ALA 147 CO -0.13 0.81 -0.42 0.00 0.00 0.00 0.00 179.25 179.51 2kkx h ALA 148 N 0.93 0.21 -0.14 0.00 0.00 -1.87 -1.40 119.26 116.99 2kkx h ALA 148 Ca -0.04 -0.47 -0.22 0.00 0.00 0.00 0.00 54.91 54.18 2kkx h ALA 148 Cb 1.40 -0.02 0.01 0.00 0.00 0.00 0.00 17.79 19.17 2kkx h ALA 148 CO 0.13 0.33 -0.77 0.35 0.00 0.00 0.00 179.25 179.29 2kkx h PHE 149 N 0.09 0.98 -0.65 0.00 3.57 -1.28 -2.66 116.94 116.99 2kkx h PHE 149 Ca -0.02 -0.43 -0.04 0.00 3.53 0.00 0.00 57.97 61.00 2kkx h PHE 149 Cb 1.05 -0.15 -0.03 0.00 2.79 0.00 0.00 35.95 39.61 2kkx h PHE 149 CO 0.11 1.25 0.24 1.03 -2.23 0.00 0.00 178.31 178.71 2kkx h SER 150 N 0.49 0.89 -0.10 0.41 0.87 -1.52 -2.17 113.55 112.42 2kkx h SER 150 Ca -0.05 -0.13 0.04 0.00 -1.23 0.00 0.00 61.79 60.42 2kkx h SER 150 Cb 1.39 -0.23 -0.05 0.00 -0.44 0.00 0.00 62.40 63.07 2kkx h SER 150 CO 0.16 0.81 -0.22 -0.09 -0.53 0.00 0.00 176.83 176.95 2kkx h ARG 151 N 0.94 -0.29 -0.81 2.24 2.43 -1.13 -1.68 114.38 116.07 2kkx h ARG 151 Ca 0.22 0.02 0.09 0.00 -0.81 0.00 0.00 59.98 59.50 2kkx h ARG 151 Cb 0.21 0.07 -0.07 0.00 -0.42 0.00 0.00 29.97 29.76 2kkx h ARG 151 CO -0.02 -0.19 0.46 -0.07 -1.51 0.00 0.00 179.97 178.65 2kkx h LEU 152 N -0.30 0.66 -0.22 3.80 3.38 -1.09 -1.54 115.31 120.00 2kkx h LEU 152 Ca 0.09 0.05 -0.02 0.00 0.09 0.00 0.00 57.88 58.08 2kkx h LEU 152 Cb 0.43 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.09 2kkx h LEU 152 CO -0.27 0.38 0.05 0.58 0.09 0.00 0.00 178.44 179.28 2kkx h VAL 153 N 0.78 1.21 -0.56 1.22 2.07 -1.10 0.13 116.25 120.01 2kkx h VAL 153 Ca 0.39 -0.67 -0.01 0.00 0.82 0.00 0.00 66.70 67.22 2kkx h VAL 153 Cb 0.35 1.23 -0.03 0.00 -1.52 0.00 0.00 31.29 31.32 2kkx h VAL 153 CO -0.24 0.21 0.29 1.23 0.02 0.00 0.00 177.57 179.08 2kkx h GLY 154 N 0.18 0.83 2.00 2.17 0.00 -0.74 -1.85 103.07 105.66 2kkx h GLY 154 Ca 0.07 -0.37 -0.13 0.00 0.00 0.00 0.00 47.33 46.91 2kkx h GLY 154 CO 0.00 0.35 -0.60 0.83 0.00 0.00 0.00 176.54 177.13 2kkx h GLU 155 N 0.78 0.00 0.00 4.80 5.08 -1.14 -3.48 114.58 120.62 2kkx h GLU 155 Ca 0.20 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.56 2kkx h GLU 155 Cb 0.05 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.30 2kkx h GLU 155 CO -0.03 0.60 0.00 0.41 -1.00 0.00 0.00 179.01 178.99 2kkx n GLY 156 N 0.74 0.80 3.80 -3.84 0.00 -0.39 -5.09 105.19 101.20 2kkx n GLY 156 Ca 0.00 -0.39 -0.37 0.00 0.00 0.00 0.00 46.02 45.26 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 4.36 0.00 0.99 1.43 0.33 -5.01 118.68 120.78 2kkx s LEU 157 Ca 0.00 1.63 -0.01 0.00 -1.03 0.00 0.00 54.13 54.73 2kkx s LEU 157 Cb 0.00 -3.77 0.01 0.00 0.03 0.00 0.00 46.19 42.45 2kkx s LEU 157 CO 0.00 -0.00 0.04 -0.81 0.23 0.00 0.00 176.35 175.80 2kkx n PRO 158 N 0.70 -0.36 -1.83 1.29 -0.04 -1.26 -4.32 135.00 129.18 2kkx n PRO 158 Ca -0.00 -0.06 -0.42 0.00 -0.04 0.00 0.00 63.50 62.98 2kkx n PRO 158 Cb 0.50 -0.04 -0.03 0.00 -0.04 0.00 0.00 33.50 33.89 2kkx n PRO 158 CO 0.00 0.00 0.00 -1.58 -0.04 0.00 0.00 175.50 173.88 2kkx s HIS 159 N -1.08 2.52 -0.43 0.54 5.65 -0.28 -4.82 115.29 117.40 2kkx s HIS 159 Ca 0.02 0.26 0.24 0.00 0.25 0.00 0.00 55.06 55.83 2kkx s HIS 159 Cb -0.00 -4.06 1.02 0.00 -1.18 0.00 0.00 32.58 28.36 2kkx s HIS 159 CO 0.02 -4.19 1.72 -0.35 -0.65 0.00 0.00 174.74 171.28 2kkx n PRO 160 N 5.07 0.20 -0.03 2.88 -0.04 -1.26 -0.79 135.00 141.03 2kkx n PRO 160 Ca 0.16 0.45 -0.03 0.00 -0.04 0.00 0.00 63.50 64.05 2kkx n PRO 160 Cb 0.38 -1.90 -0.01 0.00 -0.04 0.00 0.00 33.50 31.94 2kkx n PRO 160 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 2kkx n LEU 161 N -2.27 0.75 0.00 1.53 4.77 -1.26 -4.75 117.00 115.77 2kkx n LEU 161 Ca 0.02 0.24 0.12 0.00 -0.03 0.00 0.00 56.01 56.35 2kkx n LEU 161 Cb 0.21 -0.62 0.23 0.00 -2.33 0.00 0.00 43.42 40.91 2kkx n LEU 161 CO 0.19 -0.44 0.42 1.07 -1.33 0.00 0.00 177.39 177.30 2kkx n THR 162 N -3.25 0.01 -1.35 -5.08 5.66 -1.24 -4.94 114.28 104.09 2kkx n THR 162 Ca -0.05 -0.01 -0.12 0.00 -3.05 0.00 0.00 64.05 60.83 2kkx n THR 162 Cb 0.17 0.28 -0.05 0.00 -1.55 0.00 0.00 70.33 69.18 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 -1.51 -1.36 -2.79 1.09 5.12 0.03 -4.98 116.66 112.26 2kkx n ARG 163 Ca 0.05 0.89 -0.37 0.00 -1.93 0.00 0.00 57.85 56.50 2kkx n ARG 163 Cb 0.34 -5.14 -0.06 0.00 -1.16 0.00 0.00 32.46 26.43 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 -2.91 4.56 0.06 5.56 0.41 -1.26 -4.53 118.70 120.60 2kkx s GLU 164 Ca 0.00 1.31 -0.32 0.00 -0.41 0.00 0.00 54.97 55.55 2kkx s GLU 164 Cb 0.00 -2.77 -0.11 0.00 -1.78 0.00 0.00 34.13 29.48 2kkx s GLU 164 CO 0.00 0.26 1.88 -0.35 -0.49 0.00 0.00 175.26 176.56 2kkx n PRO 165 N 0.49 2.68 -1.84 0.39 -0.04 -1.26 -1.13 135.00 134.29 2kkx n PRO 165 Ca 0.02 0.98 -0.42 0.00 -0.04 0.00 0.00 63.50 64.04 2kkx n PRO 165 Cb 0.50 -2.88 -0.03 0.00 -0.04 0.00 0.00 33.50 31.06 2kkx n PRO 165 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 2kkx s ILE 166 N 3.44 2.31 0.10 0.52 1.01 -1.26 -4.86 121.20 122.46 2kkx s ILE 166 Ca 0.86 0.23 -0.05 0.00 0.00 0.00 0.00 60.65 61.69 2kkx s ILE 166 Cb -0.51 -3.15 -0.02 0.00 0.01 0.00 0.00 42.46 38.79 2kkx s ILE 166 CO 0.41 0.03 0.12 0.28 0.00 0.00 0.00 174.94 175.78 2kkx s THR 167 N 0.74 0.14 0.33 2.92 -1.32 -1.26 -5.03 115.64 112.16 2kkx s THR 167 Ca 0.69 -1.54 0.30 0.00 -1.21 0.00 0.00 61.69 59.93 2kkx s THR 167 Cb -0.46 -1.61 0.32 0.00 -1.51 0.00 0.00 72.50 69.23 2kkx s THR 167 CO 0.37 -0.65 2.05 0.00 -2.21 0.00 0.00 174.62 174.17 2kkx h ALA 168 N 2.85 1.14 0.00 11.08 0.00 -1.93 -3.00 119.26 129.39 2kkx h ALA 168 Ca -0.34 -0.09 -0.02 0.00 0.00 0.00 0.00 54.91 54.46 2kkx h ALA 168 Cb 1.19 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.96 2kkx h ALA 168 CO 0.58 0.12 -0.11 0.77 0.00 0.00 0.00 179.25 180.62 2kkx h SER 169 N 0.00 0.00 -0.02 0.00 0.02 -1.98 -3.04 113.55 108.53 2kkx h SER 169 Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2kkx h SER 169 Cb 0.41 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.95 2kkx h SER 169 CO 0.01 0.11 -0.15 2.30 -1.14 0.00 0.00 176.83 177.96 2kkx n ILE 170 N -3.30 0.00 -3.76 3.27 -5.35 -1.13 -4.97 119.36 104.12 2kkx n ILE 170 Ca -0.00 -0.42 -0.37 0.00 -0.27 0.00 0.00 62.75 61.68 2kkx n ILE 170 Cb 0.33 1.28 -0.06 0.00 -1.74 0.00 0.00 39.64 39.45 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 -1.62 5.35 0.34 7.28 2.07 -1.15 -1.00 121.20 132.46 2kkx s ILE 171 Ca 0.17 0.39 0.06 0.00 -1.41 0.00 0.00 60.65 59.86 2kkx s ILE 171 Cb 0.13 -3.51 -0.02 0.00 0.13 0.00 0.00 42.46 39.19 2kkx s ILE 171 CO 0.30 0.58 0.32 1.33 -1.91 0.00 0.00 174.94 175.56 2kkx n VAL 172 N 1.83 0.00 -3.00 4.00 0.24 -0.36 -4.94 118.33 116.11 2kkx n VAL 172 Ca -0.17 -2.37 -0.19 0.00 -2.04 0.00 0.00 64.34 59.57 2kkx n VAL 172 Cb 0.54 1.22 0.01 0.00 -1.47 0.00 0.00 33.84 34.14 2kkx n VAL 172 CO 0.00 0.00 0.00 -0.54 -2.14 0.00 0.00 176.83 174.15 2kkx s LYS 173 N -3.29 2.83 0.47 7.34 1.02 -1.26 -3.52 119.74 123.34 2kkx s LYS 173 Ca 0.39 -1.02 0.25 0.00 0.02 0.00 0.00 55.97 55.61 2kkx s LYS 173 Cb 0.02 -2.68 1.15 0.00 -0.52 0.00 0.00 37.83 35.79 2kkx s LYS 173 CO 0.28 -0.32 1.94 1.25 -0.92 0.00 0.00 175.35 177.57 2kkx h HIS 174 N 0.52 0.00 0.00 3.18 -0.00 -1.87 -1.87 115.15 115.12 2kkx h HIS 174 Ca -0.42 0.00 -0.06 0.00 -0.00 0.00 0.00 60.37 59.89 2kkx h HIS 174 Cb 1.28 0.00 -0.01 0.00 -0.00 0.00 0.00 27.41 28.68 2kkx h HIS 174 CO 0.40 0.20 -0.70 1.49 -0.00 0.00 0.00 177.93 179.32 2kkx h GLU 175 N 0.00 0.00 0.00 5.26 4.81 -1.95 -3.33 114.58 119.38 2kkx h GLU 175 Ca -0.00 0.00 -0.04 0.00 -0.13 0.00 0.00 59.36 59.19 2kkx h GLU 175 Cb 0.55 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.93 2kkx h GLU 175 CO 0.03 0.16 -0.69 1.49 -0.73 0.00 0.00 179.01 179.27 2kkx h GLU 176 N 0.00 0.00 -5.87 1.92 4.57 -1.86 -3.44 114.58 109.91 2kkx h GLU 176 Ca -0.03 0.00 -0.65 0.00 -1.18 0.00 0.00 59.36 57.50 2kkx h GLU 176 Cb 1.20 0.00 -0.07 0.00 -0.16 0.00 0.00 28.75 29.72 2kkx h GLU 176 CO 0.02 0.11 -0.52 0.00 -1.18 0.00 0.00 179.01 177.44 2kkx s ILE 178 N -1.26 1.22 -0.51 0.00 -0.00 -0.56 -4.78 121.20 115.31 2kkx s ILE 178 Ca 0.25 -0.90 -0.27 0.00 -0.00 0.00 0.00 60.65 59.73 2kkx s ILE 178 Cb -0.12 -1.07 -0.04 0.00 -0.00 0.00 0.00 42.46 41.23 2kkx s ILE 178 CO 0.16 0.15 2.05 -0.72 -0.00 0.00 0.00 174.94 176.58 2kkx s TYR 179 N -0.67 1.46 -0.04 1.37 1.13 -1.26 -1.69 117.35 117.65 2kkx s TYR 179 Ca 0.04 1.00 -0.30 0.00 -1.41 0.00 0.00 57.07 56.40 2kkx s TYR 179 Cb -0.07 -3.92 -0.04 0.00 -1.10 0.00 0.00 41.96 36.83 2kkx s TYR 179 CO 0.01 -2.58 1.33 0.34 -2.51 0.00 0.00 175.55 172.14 2kkx s ASP 180 N 9.15 6.92 0.20 -0.18 -1.08 -0.20 -4.87 116.67 126.61 2kkx s ASP 180 Ca 0.81 1.96 -0.00 0.00 -0.52 0.00 0.00 52.55 54.80 2kkx s ASP 180 Cb -0.17 -2.56 0.12 0.00 -1.46 0.00 0.00 42.92 38.86 2kkx s ASP 180 CO 0.25 -0.69 1.48 -2.24 0.52 0.00 0.00 175.17 174.49 2kkx h ASP 181 N 7.85 0.45 1.43 -0.34 2.03 -1.91 0.33 116.42 126.25 2kkx h ASP 181 Ca -0.35 -0.27 -0.12 0.00 -0.73 0.00 0.00 57.03 55.56 2kkx h ASP 181 Cb 1.16 -0.13 -0.02 0.00 -0.83 0.00 0.00 39.33 39.52 2kkx h ASP 181 CO 0.91 0.98 -0.57 0.00 -1.03 0.00 0.00 179.24 179.53 2kkx h THR 182 N 0.28 0.92 0.00 1.15 1.03 -1.95 -3.27 112.91 111.06 2kkx h THR 182 Ca -0.02 -2.31 0.00 0.00 -0.01 0.00 0.00 66.41 64.08 2kkx h THR 182 Cb 1.21 2.45 0.00 0.00 -1.07 0.00 0.00 68.15 70.74 2kkx h THR 182 CO 0.11 0.52 -1.41 0.54 -0.01 0.00 0.00 175.52 175.27 2kkx n ARG 183 N -3.22 0.47 -1.23 0.00 1.74 -1.22 -5.01 116.66 108.18 2kkx n ARG 183 Ca 0.01 -0.09 -0.06 0.00 -0.77 0.00 0.00 57.85 56.94 2kkx n ARG 183 Cb 0.75 -1.47 -0.03 0.00 -1.02 0.00 0.00 32.46 30.70 2kkx n ARG 183 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2kkx n GLY 184 N 1.40 0.84 3.56 -0.13 0.00 0.11 -5.00 105.19 105.98 2kkx n GLY 184 Ca 0.00 -0.75 -0.08 0.00 0.00 0.00 0.00 46.02 45.19 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 -2.92 -0.35 0.14 1.61 2.47 -0.81 -4.93 114.94 110.15 2kkx s ASN 185 Ca 0.00 -0.11 -0.31 0.00 0.42 0.00 0.00 52.86 52.86 2kkx s ASN 185 Cb 0.00 0.45 -0.11 0.00 -1.45 0.00 0.00 41.25 40.14 2kkx s ASN 185 CO 0.00 -0.76 1.83 0.49 -3.72 0.00 0.00 177.10 174.95 2kkx n PHE 186 N -0.32 2.66 -4.33 0.43 3.01 -1.26 -1.03 117.46 116.61 2kkx n PHE 186 Ca -0.09 -0.14 -0.17 0.00 1.01 0.00 0.00 57.45 58.05 2kkx n PHE 186 Cb 0.62 -2.73 -0.10 0.00 -0.01 0.00 0.00 39.48 37.25 2kkx n PHE 186 CO 0.00 0.00 0.00 0.96 1.01 0.00 0.00 176.76 178.73 2kkx s ILE 187 N 2.58 0.68 0.31 4.37 -5.25 -0.68 -0.86 121.20 122.35 2kkx s ILE 187 Ca 0.81 -2.00 -0.29 0.00 -0.99 0.00 0.00 60.65 58.18 2kkx s ILE 187 Cb -0.47 -2.62 -0.10 0.00 2.95 0.00 0.00 42.46 42.22 2kkx s ILE 187 CO 0.36 -0.04 1.19 -0.63 -1.79 0.00 0.00 174.94 174.04 2kkx s ILE 188 N -3.67 3.13 1.01 8.37 -1.09 -1.25 -1.49 121.20 126.21 2kkx s ILE 188 Ca 0.37 1.13 -0.12 0.00 -2.23 0.00 0.00 60.65 59.80 2kkx s ILE 188 Cb 0.08 -3.71 0.20 0.00 -1.58 0.00 0.00 42.46 37.44 2kkx s ILE 188 CO 0.13 0.26 1.08 -0.54 -1.23 0.00 0.00 174.94 174.64 2kkx s LYS 189 N -1.66 0.32 0.05 2.79 1.02 -0.99 -4.90 119.74 116.37 2kkx s LYS 189 Ca 0.47 1.03 0.18 0.00 0.02 0.00 0.00 55.97 57.68 2kkx s LYS 189 Cb -0.35 -1.68 -0.14 0.00 -0.52 0.00 0.00 37.83 35.13 2kkx s LYS 189 CO 0.46 -2.94 0.76 0.41 -0.92 0.00 0.00 175.35 173.11 2kkx n GLY 190 N 0.00 -1.20 0.00 -3.33 0.00 -1.26 -5.11 105.19 94.29 2kkx n GLY 190 Ca 0.07 -0.20 0.00 0.00 0.00 0.00 0.00 46.02 45.89 2kkx n GLY 190 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31