#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1lwu n GLU 96 N 0.00 0.00 0.22 -3.83 -0.58 -1.26 -4.03 120.64 111.16 1lwu n GLU 96 Ca 0.00 0.00 0.18 0.00 -0.42 0.00 0.00 57.16 56.92 1lwu n GLU 96 Cb 0.00 0.00 0.86 0.00 -0.57 0.00 0.00 31.44 31.73 1lwu n GLU 96 CO 0.00 0.00 0.00 -0.07 -0.48 0.00 0.00 177.13 176.58 1lwu h LEU 97 N 0.00 0.00 -0.40 -4.62 3.38 -2.04 -2.89 115.31 108.74 1lwu h LEU 97 Ca 0.00 0.00 0.04 0.00 0.09 0.00 0.00 57.88 58.01 1lwu h LEU 97 Cb 0.00 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 40.70 1lwu h LEU 97 CO 0.00 0.00 -0.24 1.21 0.09 0.00 0.00 178.44 179.50 1lwu n GLU 98 N -3.65 -0.18 0.05 1.13 4.07 -1.26 0.20 120.64 121.00 1lwu n GLU 98 Ca 0.01 1.11 -0.12 0.00 -0.06 0.00 0.00 57.16 58.10 1lwu n GLU 98 Cb 0.32 -1.65 -0.01 0.00 -0.06 0.00 0.00 31.44 30.04 1lwu n GLU 98 CO 0.00 0.00 0.00 0.28 -0.06 0.00 0.00 177.13 177.35 1lwu h VAL 99 N 0.00 1.38 -0.65 6.31 2.07 -1.65 0.20 116.25 123.90 1lwu h VAL 99 Ca 0.06 -2.23 0.11 0.00 0.82 0.00 0.00 66.70 65.46 1lwu h VAL 99 Cb 0.16 2.21 -0.08 0.00 -1.52 0.00 0.00 31.29 32.06 1lwu h VAL 99 CO -0.38 0.67 0.24 -0.09 0.02 0.00 0.00 177.57 178.04 1lwu h ARG 100 N 0.29 0.40 -0.00 1.57 2.43 -1.00 0.14 114.38 118.21 1lwu h ARG 100 Ca -0.05 -0.02 -0.00 0.00 -0.81 0.00 0.00 59.98 59.09 1lwu h ARG 100 Cb 1.41 -0.09 -0.00 0.00 -0.42 0.00 0.00 29.97 30.87 1lwu h ARG 100 CO 0.14 0.27 -0.00 -0.92 -1.51 0.00 0.00 179.97 177.95 1lwu h TYR 101 N 0.42 0.01 0.00 2.20 3.20 0.23 -2.78 116.97 120.24 1lwu h TYR 101 Ca 0.34 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.21 1lwu h TYR 101 Cb 0.45 -0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.71 1lwu h TYR 101 CO -0.17 0.55 0.06 0.45 -1.64 0.00 0.00 178.16 177.42 1lwu n SER 102 N -4.82 0.00 -0.10 -2.11 2.88 0.05 -0.65 113.62 108.87 1lwu n SER 102 Ca -0.09 0.26 -0.19 0.00 -1.33 0.00 0.00 58.87 57.53 1lwu n SER 102 Cb 0.28 -0.26 -0.09 0.00 -0.75 0.00 0.00 64.21 63.40 1lwu n SER 102 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 1lwu n GLU 103 N -1.22 0.54 0.00 -1.46 1.02 0.38 -3.53 120.64 116.36 1lwu n GLU 103 Ca 0.00 0.50 0.00 0.00 -0.02 0.00 0.00 57.16 57.64 1lwu n GLU 103 Cb 0.06 -1.68 0.01 0.00 -0.02 0.00 0.00 31.44 29.81 1lwu n GLU 103 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 1lwu n VAL 104 N -4.45 0.00 -0.06 2.62 0.31 0.18 -0.55 118.33 116.38 1lwu n VAL 104 Ca -0.29 0.00 -0.13 0.00 -0.01 0.00 0.00 64.34 63.91 1lwu n VAL 104 Cb 0.61 -0.62 -0.04 0.00 -0.91 0.00 0.00 33.84 32.87 1lwu n VAL 104 CO 0.00 0.00 0.00 -0.11 -1.32 0.00 0.00 176.83 175.40 1lwu n LEU 105 N -0.64 0.90 0.19 7.52 0.00 -1.09 -4.39 117.00 119.49 1lwu n LEU 105 Ca 0.00 0.15 0.04 0.00 0.00 0.00 0.00 56.01 56.20 1lwu n LEU 105 Cb 0.00 -0.36 0.39 0.00 0.00 0.00 0.00 43.42 43.45 1lwu n LEU 105 CO 0.00 0.26 0.74 0.03 0.00 0.00 0.00 177.39 178.42 1lwu h ARG 106 N -0.44 0.00 -1.26 1.96 3.08 -1.36 0.21 114.38 116.57 1lwu h ARG 106 Ca -0.31 0.00 -0.40 0.00 0.07 0.00 0.00 59.98 59.34 1lwu h ARG 106 Cb 1.28 0.00 -0.19 0.00 0.08 0.00 0.00 29.97 31.14 1lwu h ARG 106 CO -0.19 0.35 0.51 -1.91 -1.07 0.00 0.00 179.97 177.67 1lwu n GLU 107 N -3.95 1.98 0.00 0.04 0.00 0.29 -2.76 120.64 116.24 1lwu n GLU 107 Ca -0.02 -2.02 0.00 0.00 0.00 0.00 0.00 57.16 55.12 1lwu n GLU 107 Cb 0.41 -1.79 0.00 0.00 0.00 0.00 0.00 31.44 30.05 1lwu n GLU 107 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.13 177.02 1lwu n LEU 108 N -0.18 0.00 0.03 4.31 7.94 -0.58 -4.63 117.00 123.89 1lwu n LEU 108 Ca 0.39 0.00 0.11 0.00 -1.11 0.00 0.00 56.01 55.40 1lwu n LEU 108 Cb 0.79 0.00 -0.00 0.00 0.53 0.00 0.00 43.42 44.74 1lwu n LEU 108 CO 0.47 0.01 -0.07 1.21 -1.11 0.00 0.00 177.39 177.90 1lwu n GLU 109 N 0.00 0.36 -0.12 1.96 2.13 0.63 -3.73 120.64 121.87 1lwu n GLU 109 Ca 0.00 -0.01 -0.26 0.00 0.66 0.00 0.00 57.16 57.55 1lwu n GLU 109 Cb 0.02 -1.62 -0.11 0.00 0.27 0.00 0.00 31.44 30.00 1lwu n GLU 109 CO 0.00 0.00 0.00 0.54 -0.41 0.00 0.00 177.13 177.26 1lwu n ARG 110 N -2.08 0.60 0.17 5.31 1.74 -1.12 -3.80 116.66 117.48 1lwu n ARG 110 Ca 0.01 0.33 0.08 0.00 -0.77 0.00 0.00 57.85 57.50 1lwu n ARG 110 Cb 0.46 -1.57 0.45 0.00 -1.02 0.00 0.00 32.46 30.78 1lwu n ARG 110 CO 0.00 0.00 0.00 -0.09 -1.52 0.00 0.00 177.63 176.02 1lwu h ARG 111 N -0.82 0.00 0.09 5.56 2.43 -1.82 1.13 114.38 120.95 1lwu h ARG 111 Ca -0.59 0.00 -0.36 0.00 -0.81 0.00 0.00 59.98 58.22 1lwu h ARG 111 Cb 1.60 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 31.12 1lwu h ARG 111 CO -0.31 0.00 -2.00 -0.89 -1.51 0.00 0.00 179.97 175.26 1lwu n ILE 112 N -2.15 1.73 0.14 1.20 2.08 -1.24 -2.23 119.36 118.89 1lwu n ILE 112 Ca -0.01 -0.68 -0.00 0.00 0.56 0.00 0.00 62.75 62.62 1lwu n ILE 112 Cb 0.23 -1.58 0.20 0.00 -0.75 0.00 0.00 39.64 37.74 1lwu n ILE 112 CO 0.00 0.00 0.00 0.40 0.56 0.00 0.00 176.55 177.51 1lwu h ILE 113 N 0.05 1.34 0.05 1.39 1.08 -0.09 -1.98 117.51 119.35 1lwu h ILE 113 Ca -0.42 -2.03 -0.00 0.00 -0.39 0.00 0.00 64.86 62.02 1lwu h ILE 113 Cb 2.03 2.12 0.00 0.00 -3.07 0.00 0.00 36.82 37.89 1lwu h ILE 113 CO 0.07 0.57 -0.02 -0.74 -0.69 0.00 0.00 178.15 177.34 1lwu h HIS 114 N 0.00 -0.06 0.00 1.37 -0.00 0.88 -2.78 115.15 114.56 1lwu h HIS 114 Ca -0.01 -0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.36 1lwu h HIS 114 Cb 1.07 0.02 0.00 0.00 -0.00 0.00 0.00 27.41 28.50 1lwu h HIS 114 CO 0.00 0.44 0.00 -0.11 -0.00 0.00 0.00 177.93 178.26 1lwu n LEU 115 N -4.87 0.00 0.09 0.26 7.94 -0.95 -1.12 117.00 118.35 1lwu n LEU 115 Ca -0.09 0.44 -0.22 0.00 -1.11 0.00 0.00 56.01 55.04 1lwu n LEU 115 Cb 0.26 -0.44 -0.14 0.00 0.53 0.00 0.00 43.42 43.63 1lwu n LEU 115 CO 0.32 -0.33 -0.07 -0.61 -1.11 0.00 0.00 177.39 175.60 1lwu h GLN 116 N 0.00 0.50 0.17 1.96 5.75 -1.08 -3.17 115.11 119.25 1lwu h GLN 116 Ca 0.00 -0.76 0.00 0.00 -0.15 0.00 0.00 58.65 57.75 1lwu h GLN 116 Cb 0.12 0.27 -0.03 0.00 1.07 0.00 0.00 27.48 28.90 1lwu h GLN 116 CO 0.00 1.35 -0.42 -0.09 -2.65 0.00 0.00 178.83 177.01 1lwu h ARG 117 N 0.04 -0.64 -0.65 1.69 2.43 -0.98 -0.96 114.38 115.32 1lwu h ARG 117 Ca -0.19 0.04 0.09 0.00 -0.81 0.00 0.00 59.98 59.12 1lwu h ARG 117 Cb 1.88 0.14 -0.11 0.00 -0.42 0.00 0.00 29.97 31.46 1lwu h ARG 117 CO 0.22 -0.42 -0.44 0.00 -1.51 0.00 0.00 179.97 177.81 1lwu h ARG 118 N -0.66 -0.18 0.00 0.20 3.08 -1.68 0.97 114.38 116.11 1lwu h ARG 118 Ca -0.02 0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1lwu h ARG 118 Cb 0.64 0.04 0.00 0.00 0.08 0.00 0.00 29.97 30.73 1lwu h ARG 118 CO -0.19 -0.12 0.00 -0.89 -1.07 0.00 0.00 179.97 177.70 1lwu n ILE 119 N -5.40 0.00 -0.02 2.04 5.41 -1.01 -0.24 119.36 120.14 1lwu n ILE 119 Ca 0.03 0.00 -0.02 0.00 1.00 0.00 0.00 62.75 63.76 1lwu n ILE 119 Cb 0.35 -0.61 -0.04 0.00 -0.71 0.00 0.00 39.64 38.63 1lwu n ILE 119 CO 0.00 0.00 0.00 -3.20 0.00 0.00 0.00 176.55 173.35 1lwu n ASN 120 N -0.81 3.72 0.05 4.38 5.15 0.27 -4.40 115.26 123.61 1lwu n ASN 120 Ca 0.06 0.00 -0.20 0.00 -0.60 0.00 0.00 54.58 53.84 1lwu n ASN 120 Cb 0.03 0.72 -0.11 0.00 -0.53 0.00 0.00 39.78 39.88 1lwu n ASN 120 CO 0.00 0.00 0.00 -0.03 1.40 0.00 0.00 177.26 178.63 1lwu h MET 121 N 0.00 0.68 0.00 1.20 4.05 0.21 -2.79 114.93 118.28 1lwu h MET 121 Ca -0.12 -0.76 0.00 0.00 -0.28 0.00 0.00 59.70 58.54 1lwu h MET 121 Cb 1.17 0.22 0.00 0.00 -0.80 0.00 0.00 31.60 32.19 1lwu h MET 121 CO 0.01 1.33 0.00 1.04 0.23 0.00 0.00 176.91 179.51 1lwu n GLN 122 N -3.87 0.17 -0.06 0.39 6.02 0.67 -1.43 117.38 119.26 1lwu n GLN 122 Ca -0.12 0.50 -0.10 0.00 -0.01 0.00 0.00 57.00 57.28 1lwu n GLN 122 Cb 0.89 -1.89 -0.09 0.00 1.02 0.00 0.00 30.24 30.17 1lwu n GLN 122 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 177.06 175.98 1lwu h LEU 123 N 0.00 -0.01 -0.62 1.08 3.38 -1.70 -1.69 115.31 115.75 1lwu h LEU 123 Ca 0.00 -0.68 0.07 0.00 0.09 0.00 0.00 57.88 57.35 1lwu h LEU 123 Cb 0.22 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 40.92 1lwu h LEU 123 CO 0.00 0.83 0.31 1.56 0.09 0.00 0.00 178.44 181.23 1lwu h GLN 124 N -0.99 0.54 0.55 1.13 4.20 -1.29 0.18 115.11 119.43 1lwu h GLN 124 Ca -0.00 -0.03 -0.02 0.00 0.06 0.00 0.00 58.65 58.66 1lwu h GLN 124 Cb 0.69 -0.12 -0.01 0.00 0.30 0.00 0.00 27.48 28.34 1lwu h GLN 124 CO 0.00 0.36 -0.39 1.96 -0.67 0.00 0.00 178.83 180.09 1lwu h GLN 125 N 0.56 -0.88 0.00 1.46 4.20 -1.34 -2.07 115.11 117.03 1lwu h GLN 125 Ca 0.29 0.06 0.00 0.00 0.06 0.00 0.00 58.65 59.06 1lwu h GLN 125 Cb 0.24 0.20 0.00 0.00 0.30 0.00 0.00 27.48 28.22 1lwu h GLN 125 CO -0.22 -0.59 0.00 -0.07 -0.67 0.00 0.00 178.83 177.28 1lwu h LEU 126 N -0.92 0.00 -0.38 1.46 4.07 -0.75 0.84 115.31 119.63 1lwu h LEU 126 Ca -0.06 0.00 -0.18 0.00 0.08 0.00 0.00 57.88 57.71 1lwu h LEU 126 Cb 0.77 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 42.49 1lwu h LEU 126 CO 0.03 0.00 -0.81 0.74 -1.08 0.00 0.00 178.44 177.32 1lwu h THR 127 N 0.00 1.47 0.05 0.22 2.02 0.02 -2.66 112.91 114.03 1lwu h THR 127 Ca 0.00 -2.47 -0.00 0.00 0.77 0.00 0.00 66.41 64.71 1lwu h THR 127 Cb 0.05 2.35 0.00 0.00 -1.74 0.00 0.00 68.15 68.81 1lwu h THR 127 CO 0.00 0.72 -0.02 -0.07 0.37 0.00 0.00 175.52 176.52 1lwu h LEU 128 N 0.12 -0.06 -1.33 2.58 3.38 -0.51 -2.98 115.31 116.50 1lwu h LEU 128 Ca -0.03 -0.09 0.13 0.00 0.09 0.00 0.00 57.88 57.98 1lwu h LEU 128 Cb 1.40 0.01 -0.02 0.00 0.09 0.00 0.00 40.66 42.15 1lwu h LEU 128 CO 0.12 0.48 0.77 0.25 0.09 0.00 0.00 178.44 180.15 1lwu h LEU 129 N -1.01 0.00 0.04 1.67 5.85 -1.12 1.14 115.31 121.87 1lwu h LEU 129 Ca -0.01 0.00 -0.16 0.00 0.84 0.00 0.00 57.88 58.56 1lwu h LEU 129 Cb 0.15 0.00 0.01 0.00 0.37 0.00 0.00 40.66 41.19 1lwu h LEU 129 CO 0.01 0.00 -0.64 -0.61 -0.34 0.00 0.00 178.44 176.87 1lwu h GLN 130 N 0.00 0.36 -0.00 1.25 4.15 -1.49 -2.76 115.11 116.62 1lwu h GLN 130 Ca 0.22 -0.44 -0.15 0.00 0.77 0.00 0.00 58.65 59.04 1lwu h GLN 130 Cb 1.76 0.14 -0.02 0.00 0.21 0.00 0.00 27.48 29.56 1lwu h GLN 130 CO -0.00 1.13 -0.73 1.25 -1.93 0.00 0.00 178.83 178.55 1lwu h HIS 131 N -0.21 0.03 -0.35 3.99 2.76 0.13 -1.92 115.15 119.58 1lwu h HIS 131 Ca -0.09 -0.01 -0.09 0.00 -2.20 0.00 0.00 60.37 57.98 1lwu h HIS 131 Cb 1.38 -0.00 -0.01 0.00 1.55 0.00 0.00 27.41 30.33 1lwu h HIS 131 CO 0.16 0.74 -0.12 -0.91 -1.30 0.00 0.00 177.93 176.50 1lwu h ASN 132 N 0.01 0.71 0.38 3.26 -0.26 -0.70 -0.59 115.58 118.39 1lwu h ASN 132 Ca -0.01 -0.39 -0.06 0.00 -0.56 0.00 0.00 56.30 55.29 1lwu h ASN 132 Cb 1.29 -0.20 -0.01 0.00 -1.06 0.00 0.00 38.32 38.34 1lwu h ASN 132 CO 0.10 0.94 -0.28 0.40 -1.06 0.00 0.00 177.43 177.53 1lwu h ILE 133 N 0.49 1.05 -0.22 2.81 2.04 -1.45 0.45 117.51 122.67 1lwu h ILE 133 Ca 0.08 -1.00 -0.09 0.00 1.00 0.00 0.00 64.86 64.85 1lwu h ILE 133 Cb 0.65 1.56 -0.01 0.00 -0.74 0.00 0.00 36.82 38.28 1lwu h ILE 133 CO 0.04 0.27 -0.27 0.50 0.00 0.00 0.00 178.15 178.69 1lwu h LYS 134 N 0.00 0.42 0.12 2.37 3.11 -0.56 0.36 116.57 122.39 1lwu h LYS 134 Ca -0.00 -0.16 -0.27 0.00 -2.81 0.00 0.00 60.65 57.41 1lwu h LYS 134 Cb 0.54 -0.02 -0.00 0.00 -1.00 0.00 0.00 32.23 31.74 1lwu h LYS 134 CO 0.04 0.66 -1.37 1.79 -2.81 0.00 0.00 179.45 177.76 1lwu h THR 135 N 0.37 1.06 -0.41 1.00 1.35 -0.04 -3.17 112.91 113.07 1lwu h THR 135 Ca 0.05 -2.41 0.03 0.00 -0.55 0.00 0.00 66.41 63.54 1lwu h THR 135 Cb 0.68 2.74 -0.03 0.00 -1.73 0.00 0.00 68.15 69.80 1lwu h THR 135 CO 0.05 0.70 0.21 -0.61 -0.25 0.00 0.00 175.52 175.62 1lwu h GLN 136 N -0.31 0.42 -0.22 4.72 4.15 -0.16 0.51 115.11 124.20 1lwu h GLN 136 Ca -0.29 -0.03 0.06 0.00 0.77 0.00 0.00 58.65 59.17 1lwu h GLN 136 Cb 1.75 -0.09 -0.01 0.00 0.21 0.00 0.00 27.48 29.33 1lwu h GLN 136 CO 0.06 0.28 0.19 -0.24 -1.93 0.00 0.00 178.83 177.19 1lwu h VAL 137 N 0.43 0.69 0.00 2.39 3.04 -1.05 0.26 116.25 122.02 1lwu h VAL 137 Ca 0.18 0.00 -0.01 0.00 -1.01 0.00 0.00 66.70 65.86 1lwu h VAL 137 Cb 0.07 0.86 -0.00 0.00 -2.01 0.00 0.00 31.29 30.21 1lwu h VAL 137 CO -0.12 0.00 -0.05 -1.28 -1.01 0.00 0.00 177.57 175.11 1lwu h SER 138 N 0.00 0.00 -0.60 3.17 0.87 -0.72 -3.05 113.55 113.21 1lwu h SER 138 Ca 0.11 -0.77 0.10 0.00 -1.23 0.00 0.00 61.79 60.00 1lwu h SER 138 Cb 0.48 0.00 -0.07 0.00 -0.44 0.00 0.00 62.40 62.37 1lwu h SER 138 CO -0.00 0.91 0.21 -0.61 -0.53 0.00 0.00 176.83 176.81 1lwu h GLN 139 N -1.00 0.37 -0.94 2.24 4.15 0.61 -1.30 115.11 119.24 1lwu h GLN 139 Ca -0.01 -0.02 0.03 0.00 0.77 0.00 0.00 58.65 59.42 1lwu h GLN 139 Cb 0.80 -0.08 -0.05 0.00 0.21 0.00 0.00 27.48 28.35 1lwu h GLN 139 CO -0.01 0.25 0.61 0.82 -1.93 0.00 0.00 178.83 178.57 1lwu h ILE 140 N 0.38 1.17 -0.10 2.39 1.08 -0.62 -1.53 117.51 120.28 1lwu h ILE 140 Ca 0.30 -0.41 -0.08 0.00 -0.39 0.00 0.00 64.86 64.29 1lwu h ILE 140 Cb 0.39 -0.13 -0.01 0.00 -3.07 0.00 0.00 36.82 34.00 1lwu h ILE 140 CO -0.32 0.22 -0.30 0.25 -0.69 0.00 0.00 178.15 177.31 1lwu h LEU 141 N 1.20 0.18 0.49 1.44 5.85 -1.16 -0.79 115.31 122.51 1lwu h LEU 141 Ca 0.37 -0.06 -0.02 0.00 0.84 0.00 0.00 57.88 59.01 1lwu h LEU 141 Cb -0.02 -0.05 0.00 0.00 0.37 0.00 0.00 40.66 40.97 1lwu h LEU 141 CO -0.11 0.48 -0.23 -0.09 -0.34 0.00 0.00 178.44 178.14 1lwu h ARG 142 N 0.16 -0.63 -0.87 1.25 2.43 -0.39 -2.46 114.38 113.87 1lwu h ARG 142 Ca 0.02 0.04 0.11 0.00 -0.81 0.00 0.00 59.98 59.34 1lwu h ARG 142 Cb 0.61 0.14 -0.08 0.00 -0.42 0.00 0.00 29.97 30.23 1lwu h ARG 142 CO 0.04 -0.33 0.50 0.28 -1.51 0.00 0.00 179.97 178.96 1lwu h VAL 143 N -0.90 0.88 -0.77 0.20 2.07 -1.32 -0.33 116.25 116.09 1lwu h VAL 143 Ca -0.07 -0.28 0.18 0.00 0.82 0.00 0.00 66.70 67.36 1lwu h VAL 143 Cb 0.59 0.00 -0.13 0.00 -1.52 0.00 0.00 31.29 30.23 1lwu h VAL 143 CO 0.11 0.15 0.06 -0.08 0.02 0.00 0.00 177.57 177.82 1lwu h GLU 144 N 0.81 0.13 0.12 1.57 4.22 -0.87 0.32 114.58 120.88 1lwu h GLU 144 Ca 0.43 -0.01 -0.27 0.00 0.08 0.00 0.00 59.36 59.59 1lwu h GLU 144 Cb 0.44 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.66 1lwu h GLU 144 CO -0.27 0.09 -1.21 -0.24 -2.18 0.00 0.00 179.01 175.19 1lwu h VAL 145 N 0.14 1.52 -0.23 0.32 3.04 -0.69 -2.48 116.25 117.86 1lwu h VAL 145 Ca 0.43 -3.08 -0.01 0.00 -1.01 0.00 0.00 66.70 63.04 1lwu h VAL 145 Cb 0.78 2.92 -0.01 0.00 -2.01 0.00 0.00 31.29 32.97 1lwu h VAL 145 CO -0.64 0.90 0.11 0.44 -1.01 0.00 0.00 177.57 177.37 1lwu h ASP 146 N 0.07 0.30 -0.73 3.17 3.45 0.20 0.54 116.42 123.42 1lwu h ASP 146 Ca -0.12 -0.11 -0.01 0.00 0.43 0.00 0.00 57.03 57.21 1lwu h ASP 146 Cb 1.94 -0.08 -0.04 0.00 -0.56 0.00 0.00 39.33 40.60 1lwu h ASP 146 CO 0.20 0.33 0.42 0.40 -1.57 0.00 0.00 179.24 179.02 1lwu h ILE 147 N 0.25 1.22 0.09 0.35 2.04 -0.50 0.21 117.51 121.16 1lwu h ILE 147 Ca 0.08 -0.52 0.00 0.00 1.00 0.00 0.00 64.86 65.42 1lwu h ILE 147 Cb 0.11 0.20 -0.01 0.00 -0.74 0.00 0.00 36.82 36.37 1lwu h ILE 147 CO -0.01 0.24 -0.09 -0.78 0.00 0.00 0.00 178.15 177.51 1lwu h ASP 148 N 1.04 -0.24 -0.69 1.72 -0.00 -0.90 0.11 116.42 117.46 1lwu h ASP 148 Ca 0.27 0.02 -0.04 0.00 -0.00 0.00 0.00 57.03 57.28 1lwu h ASP 148 Cb 0.00 0.09 -0.03 0.00 -0.00 0.00 0.00 39.33 39.39 1lwu h ASP 148 CO -0.05 -0.14 0.27 0.58 -0.00 0.00 0.00 179.24 179.91 1lwu h VAL 149 N -0.21 1.24 0.79 2.25 2.07 -0.47 -3.06 116.25 118.86 1lwu h VAL 149 Ca 0.00 -0.76 -0.04 0.00 0.82 0.00 0.00 66.70 66.72 1lwu h VAL 149 Cb 0.20 0.46 0.01 0.00 -1.52 0.00 0.00 31.29 30.43 1lwu h VAL 149 CO -0.03 0.31 -0.38 0.00 0.02 0.00 0.00 177.57 177.49 1lwu h ALA 150 N 1.12 -1.10 -0.99 1.67 0.00 -0.31 -3.17 119.26 116.48 1lwu h ALA 150 Ca 0.23 -0.23 0.27 0.00 0.00 0.00 0.00 54.91 55.18 1lwu h ALA 150 Cb 0.21 0.41 -0.13 0.00 0.00 0.00 0.00 17.79 18.27 1lwu h ALA 150 CO -0.02 -1.02 0.55 -0.07 0.00 0.00 0.00 179.25 178.69 1lwu h LEU 151 N -1.23 0.56 -2.41 0.00 3.38 -1.03 1.22 115.31 115.79 1lwu h LEU 151 Ca -0.11 0.16 0.02 0.00 0.09 0.00 0.00 57.88 58.05 1lwu h LEU 151 Cb 0.81 0.09 -0.00 0.00 0.09 0.00 0.00 40.66 41.65 1lwu h LEU 151 CO 0.18 -0.00 0.11 -0.09 0.09 0.00 0.00 178.44 178.72 1lwu h ARG 152 N 0.45 0.00 0.00 1.13 2.43 -1.51 0.15 114.38 117.04 1lwu h ARG 152 Ca 0.67 0.00 -0.04 0.00 -0.81 0.00 0.00 59.98 59.79 1lwu h ARG 152 Cb 1.37 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.91 1lwu h ARG 152 CO -0.54 0.00 -0.21 0.00 -1.51 0.00 0.00 179.97 177.71 1lwu h ALA 153 N 1.86 1.49 0.00 2.80 0.00 0.15 -2.93 119.26 122.63 1lwu h ALA 153 Ca 0.04 -0.19 -0.05 0.00 0.00 0.00 0.00 54.91 54.70 1lwu h ALA 153 Cb 0.25 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 1lwu h ALA 153 CO -0.00 0.27 -0.25 0.00 0.00 0.00 0.00 179.25 179.27 1lwu h LYS 155 N 0.00 0.61 -0.67 0.00 3.64 -1.61 0.25 116.57 118.79 1lwu h LYS 155 Ca -0.00 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.34 1lwu h LYS 155 Cb 0.78 -0.14 0.00 0.00 -0.41 0.00 0.00 32.23 32.47 1lwu h LYS 155 CO 0.03 0.40 0.00 0.41 -2.27 0.00 0.00 179.45 178.02 1lwu n GLY 156 N -1.33 2.28 0.00 5.01 0.00 -1.13 -4.30 105.19 105.72 1lwu n GLY 156 Ca 0.19 -0.62 0.00 0.00 0.00 0.00 0.00 46.02 45.60 1lwu n GLY 156 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1lwu n SER 157 N 0.55 0.53 -4.45 1.61 2.88 0.67 -5.12 113.62 110.30 1lwu n SER 157 Ca 0.19 -0.04 -0.25 0.00 -1.33 0.00 0.00 58.87 57.44 1lwu n SER 157 Cb 0.80 0.18 -0.11 0.00 -0.75 0.00 0.00 64.21 64.34 1lwu n SER 157 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1lwu h ALA 159 N 2.64 -0.45 -3.43 0.00 0.00 -1.92 -3.41 119.26 112.68 1lwu h ALA 159 Ca -0.42 -0.04 -0.66 0.00 0.00 0.00 0.00 54.91 53.79 1lwu h ALA 159 Cb 1.24 0.43 -0.23 0.00 0.00 0.00 0.00 17.79 19.23 1lwu h ALA 159 CO 0.55 -0.80 -0.72 0.50 0.00 0.00 0.00 179.25 178.78 1lwu s ARG 160 N -6.06 3.30 -0.18 0.00 6.06 -1.26 -5.10 118.95 115.71 1lwu s ARG 160 Ca -0.16 -0.60 -0.14 0.00 -2.50 0.00 0.00 55.73 52.33 1lwu s ARG 160 Cb 0.08 -2.70 -0.04 0.00 0.06 0.00 0.00 34.95 32.34 1lwu s ARG 160 CO 0.65 0.34 0.31 -0.47 -2.50 0.00 0.00 175.30 173.63 1lwu s TYR 161 N 0.05 3.42 0.00 5.12 5.04 -1.26 -4.95 117.35 124.77 1lwu s TYR 161 Ca -0.03 0.56 0.00 0.00 -2.44 0.00 0.00 57.07 55.16 1lwu s TYR 161 Cb -0.14 -2.39 0.00 0.00 0.35 0.00 0.00 41.96 39.78 1lwu s TYR 161 CO 0.04 0.14 0.00 -0.11 -1.34 0.00 0.00 175.55 174.27 1lwu n LEU 162 N 3.95 0.00 0.00 6.97 0.00 -1.26 -5.06 117.00 121.60 1lwu n LEU 162 Ca -0.11 0.00 0.00 0.00 0.00 0.00 0.00 56.01 55.90 1lwu n LEU 162 Cb 0.52 0.00 0.00 0.00 0.00 0.00 0.00 43.42 43.94 1lwu n LEU 162 CO 0.39 0.00 0.00 1.21 0.00 0.00 0.00 177.39 178.99 1lwu n GLU 163 N 0.00 0.00 -3.86 1.96 4.07 -1.26 -5.12 120.64 116.42 1lwu n GLU 163 Ca 0.00 0.00 -0.12 0.00 -0.06 0.00 0.00 57.16 56.98 1lwu n GLU 163 Cb 0.00 0.00 -0.13 0.00 -0.06 0.00 0.00 31.44 31.25 1lwu n GLU 163 CO 0.00 0.00 0.00 -0.47 -0.06 0.00 0.00 177.13 176.60 1lwu s TYR 164 N -2.00 -0.03 0.84 4.31 5.04 -1.26 -5.10 117.35 119.15 1lwu s TYR 164 Ca 0.00 0.07 -0.14 0.00 -2.44 0.00 0.00 57.07 54.56 1lwu s TYR 164 Cb 0.00 0.00 0.19 0.00 0.35 0.00 0.00 41.96 42.51 1lwu s TYR 164 CO 0.00 -0.03 1.13 2.89 -1.34 0.00 0.00 175.55 178.20 1lwu n ARG 165 N 2.96 -1.12 0.00 4.97 1.85 -1.26 -5.10 116.66 118.96 1lwu n ARG 165 Ca -0.13 -1.75 0.00 0.00 -1.00 0.00 0.00 57.85 54.97 1lwu n ARG 165 Cb 0.59 -1.17 0.00 0.00 -1.05 0.00 0.00 32.46 30.84 1lwu n ARG 165 CO 0.00 0.00 0.00 -0.11 -0.01 0.00 0.00 177.63 177.51 1lwu n LEU 166 N 0.00 0.00 0.00 2.89 0.00 -1.26 -5.01 117.00 113.62 1lwu n LEU 166 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 56.01 56.15 1lwu n LEU 166 Cb 0.49 0.00 0.00 0.00 0.00 0.00 0.00 43.42 43.91 1lwu n LEU 166 CO 0.36 0.00 0.00 -0.90 0.00 0.00 0.00 177.39 176.85 1lwu n ASP 167 N 0.00 0.00 -1.79 1.96 5.75 -1.26 -5.17 116.55 116.04 1lwu n ASP 167 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.78 1lwu n ASP 167 Cb 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.09 1lwu n ASP 167 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 1lwu n LYS 168 N 0.00 -4.93 -0.00 0.11 4.76 -1.26 -4.96 118.16 111.88 1lwu n LYS 168 Ca 0.00 3.55 0.04 0.00 -2.87 0.00 0.00 58.31 59.03 1lwu n LYS 168 Cb 0.00 -3.86 -0.06 0.00 -1.84 0.00 0.00 35.03 29.27 1lwu n LYS 168 CO 0.00 0.00 0.00 -1.91 -1.37 0.00 0.00 177.40 174.12 1lwu n GLU 169 N 0.88 1.55 0.00 1.97 4.07 -1.26 -4.33 120.64 123.53 1lwu n GLU 169 Ca 0.00 -0.06 0.00 0.00 -0.06 0.00 0.00 57.16 57.04 1lwu n GLU 169 Cb 0.00 -1.12 0.00 0.00 -0.06 0.00 0.00 31.44 30.26 1lwu n GLU 169 CO 0.00 0.00 0.00 1.63 -0.06 0.00 0.00 177.13 178.70 1lwu n LYS 170 N -1.61 0.00 -0.05 5.31 5.02 -1.26 0.94 118.16 126.51 1lwu n LYS 170 Ca -0.01 0.07 -0.06 0.00 -2.02 0.00 0.00 58.31 56.29 1lwu n LYS 170 Cb 0.21 -1.50 -0.06 0.00 -0.02 0.00 0.00 35.03 33.65 1lwu n LYS 170 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1lwu n ASN 171 N -1.04 3.05 -0.09 4.39 3.02 -1.26 -3.63 115.26 119.70 1lwu n ASN 171 Ca 0.00 -0.03 0.15 0.00 -0.03 0.00 0.00 54.58 54.67 1lwu n ASN 171 Cb 0.00 0.22 0.73 0.00 -0.61 0.00 0.00 39.78 40.12 1lwu n ASN 171 CO 0.00 0.00 0.00 -0.11 -2.62 0.00 0.00 177.26 174.53 1lwu n LEU 172 N -2.59 0.33 -0.07 3.41 0.00 0.27 -3.06 117.00 115.29 1lwu n LEU 172 Ca -0.17 0.01 -0.12 0.00 0.00 0.00 0.00 56.01 55.74 1lwu n LEU 172 Cb 0.74 -0.13 -0.04 0.00 0.00 0.00 0.00 43.42 43.98 1lwu n LEU 172 CO 0.14 0.06 -0.74 0.00 0.00 0.00 0.00 177.39 176.84 1lwu n GLN 173 N -0.93 0.38 0.00 1.96 1.13 0.18 -4.29 117.38 115.81 1lwu n GLN 173 Ca 0.18 0.16 0.01 0.00 -1.94 0.00 0.00 57.00 55.40 1lwu n GLN 173 Cb 0.23 -1.15 0.04 0.00 0.11 0.00 0.00 30.24 29.47 1lwu n GLN 173 CO 0.00 0.00 0.00 1.28 -1.44 0.00 0.00 177.06 176.90 1lwu n LEU 174 N -4.03 0.00 -0.09 1.08 4.77 -1.24 -0.89 117.00 116.60 1lwu n LEU 174 Ca -0.21 0.00 -0.14 0.00 -0.03 0.00 0.00 56.01 55.63 1lwu n LEU 174 Cb 0.52 0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 41.54 1lwu n LEU 174 CO 0.09 0.00 -0.40 1.05 -1.33 0.00 0.00 177.39 176.80 1lwu h GLU 175 N 0.00 0.00 0.00 3.23 4.11 -1.74 -3.22 114.58 116.95 1lwu h GLU 175 Ca 0.00 0.00 -0.02 0.00 0.07 0.00 0.00 59.36 59.41 1lwu h GLU 175 Cb 0.00 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.25 1lwu h GLU 175 CO 0.00 0.57 -0.12 0.87 0.07 0.00 0.00 179.01 180.40 1lwu h LYS 176 N -1.00 0.00 0.41 1.06 1.57 -1.20 -0.45 116.57 116.95 1lwu h LYS 176 Ca -0.19 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.57 1lwu h LYS 176 Cb 0.93 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.24 1lwu h LYS 176 CO -0.11 0.12 -0.20 0.00 -0.57 0.00 0.00 179.45 178.69 1lwu h ALA 177 N 1.88 -0.55 0.00 3.86 0.00 -1.32 -1.58 119.26 121.56 1lwu h ALA 177 Ca -0.00 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.73 1lwu h ALA 177 Cb 0.53 0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.53 1lwu h ALA 177 CO 0.02 -0.57 0.00 0.00 0.00 0.00 0.00 179.25 178.70 1lwu n ALA 178 N -2.64 1.59 0.03 0.00 0.00 -1.15 -2.31 120.51 116.04 1lwu n ALA 178 Ca -0.09 0.08 -0.10 0.00 0.00 0.00 0.00 53.44 53.34 1lwu n ALA 178 Cb 0.27 -1.36 -0.13 0.00 0.00 0.00 0.00 19.45 18.23 1lwu n ALA 178 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1lwu h SER 179 N 0.00 0.08 0.90 0.00 0.87 -0.98 -3.34 113.55 111.07 1lwu h SER 179 Ca 0.00 -0.11 0.00 0.00 -1.23 0.00 0.00 61.79 60.45 1lwu h SER 179 Cb 0.31 -0.02 0.00 0.00 -0.44 0.00 0.00 62.40 62.25 1lwu h SER 179 CO 0.00 1.09 -0.87 1.88 -0.53 0.00 0.00 176.83 178.41 1lwu h TYR 180 N 0.01 0.00 0.00 2.24 0.99 -0.92 -3.36 116.97 115.94 1lwu h TYR 180 Ca -0.16 0.00 -0.06 0.00 2.00 0.00 0.00 58.73 60.51 1lwu h TYR 180 Cb 1.91 0.00 -0.02 0.00 1.00 0.00 0.00 36.73 39.62 1lwu h TYR 180 CO 0.01 0.00 -0.06 0.44 -0.00 0.00 0.00 178.16 178.55 1lwu n ILE 181 N -2.41 1.74 1.87 -2.88 -5.35 -0.98 -4.05 119.36 107.30 1lwu n ILE 181 Ca 0.01 -0.66 0.05 0.00 -0.27 0.00 0.00 62.75 61.88 1lwu n ILE 181 Cb 0.50 -1.57 0.28 0.00 -1.74 0.00 0.00 39.64 37.12 1lwu n ILE 181 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1lwu n ALA 182 N 2.05 2.49 0.02 -1.28 0.00 -1.26 -3.72 120.51 118.81 1lwu n ALA 182 Ca 0.13 -0.06 0.00 0.00 0.00 0.00 0.00 53.44 53.51 1lwu n ALA 182 Cb 0.49 -1.16 0.01 0.00 0.00 0.00 0.00 19.45 18.79 1lwu n ALA 182 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1lwu n ASN 183 N -0.66 0.00 -0.84 0.00 3.02 -1.26 -1.74 115.26 113.79 1lwu n ASN 183 Ca 0.07 -0.02 -0.00 0.00 -0.03 0.00 0.00 54.58 54.60 1lwu n ASN 183 Cb 0.03 0.00 0.01 0.00 -0.61 0.00 0.00 39.78 39.21 1lwu n ASN 183 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 1lwu n LEU 184 N -0.80 2.31 -0.00 3.41 4.77 -1.24 -2.91 117.00 122.53 1lwu n LEU 184 Ca 0.00 -1.16 0.02 0.00 -0.03 0.00 0.00 56.01 54.84 1lwu n LEU 184 Cb 0.00 -0.51 -0.02 0.00 -2.33 0.00 0.00 43.42 40.56 1lwu n LEU 184 CO 0.00 0.41 -0.36 1.17 -1.33 0.00 0.00 177.39 177.29 1lwu n LYS 185 N 0.27 2.10 -0.62 3.23 4.81 -0.71 -4.03 118.16 123.21 1lwu n LYS 185 Ca 0.01 -0.02 -0.31 0.00 -0.87 0.00 0.00 58.31 57.12 1lwu n LYS 185 Cb 0.43 -0.94 0.20 0.00 0.02 0.00 0.00 35.03 34.74 1lwu n LYS 185 CO 0.00 0.00 0.00 0.34 1.17 0.00 0.00 177.40 178.91 1lwu n PHE 186 N -1.43 -1.36 -2.81 5.64 -0.00 -1.14 -5.00 117.46 111.35 1lwu n PHE 186 Ca -0.00 0.05 0.00 0.00 -0.00 0.00 0.00 57.45 57.50 1lwu n PHE 186 Cb 0.08 -1.62 0.00 0.00 -0.00 0.00 0.00 39.48 37.94 1lwu n PHE 186 CO 0.00 0.00 0.00 -1.91 -0.00 0.00 0.00 176.76 174.85 1lwu n GLU 187 N -2.98 0.00 -3.76 -4.13 2.13 -1.26 -4.99 120.64 105.65 1lwu n GLU 187 Ca 0.02 0.00 -0.13 0.00 0.66 0.00 0.00 57.16 57.71 1lwu n GLU 187 Cb 0.59 0.00 -0.13 0.00 0.27 0.00 0.00 31.44 32.17 1lwu n GLU 187 CO 0.00 0.00 0.00 0.50 -0.41 0.00 0.00 177.13 177.22 1lwu s ARG 188 N -0.16 0.22 0.02 5.31 6.06 -1.26 -5.04 118.95 124.09 1lwu s ARG 188 Ca 0.00 0.43 0.22 0.00 -2.50 0.00 0.00 55.73 53.88 1lwu s ARG 188 Cb 0.00 -0.03 -0.08 0.00 0.06 0.00 0.00 34.95 34.90 1lwu s ARG 188 CO 0.00 -0.11 0.92 1.19 -2.50 0.00 0.00 175.30 174.80 1lwu n PHE 189 N 3.73 0.12 0.17 5.12 3.01 -1.26 -4.23 117.46 124.12 1lwu n PHE 189 Ca -0.20 0.03 0.03 0.00 1.01 0.00 0.00 57.45 58.32 1lwu n PHE 189 Cb 0.55 -0.29 0.26 0.00 -0.01 0.00 0.00 39.48 39.99 1lwu n PHE 189 CO 0.00 0.00 0.00 1.05 1.01 0.00 0.00 176.76 178.82 1lwu h GLU 190 N 0.00 0.00 -0.98 -1.08 4.11 -2.03 -3.26 114.58 111.35 1lwu h GLU 190 Ca 0.00 0.00 0.33 0.00 0.07 0.00 0.00 59.36 59.76 1lwu h GLU 190 Cb 0.69 0.00 -0.17 0.00 0.50 0.00 0.00 28.75 29.77 1lwu h GLU 190 CO 0.00 0.47 0.35 1.05 0.07 0.00 0.00 179.01 180.96 1lwu h GLU 191 N 0.00 0.10 -6.76 1.06 4.11 -2.02 -3.41 114.58 107.67 1lwu h GLU 191 Ca -0.00 -0.01 -0.56 0.00 0.07 0.00 0.00 59.36 58.85 1lwu h GLU 191 Cb 0.99 -0.02 0.11 0.00 0.50 0.00 0.00 28.75 30.32 1lwu h GLU 191 CO 0.06 0.06 0.57 0.28 0.07 0.00 0.00 179.01 180.05 1lwu n VAL 192 N -5.28 1.85 0.00 -1.06 0.31 -1.23 -5.16 118.33 107.77 1lwu n VAL 192 Ca 0.30 -0.46 0.00 0.00 -0.01 0.00 0.00 64.34 64.17 1lwu n VAL 192 Cb 0.98 -1.63 0.00 0.00 -0.91 0.00 0.00 33.84 32.28 1lwu n VAL 192 CO 0.00 0.00 0.00 0.52 -1.32 0.00 0.00 176.83 176.03