#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1u39 s PRO 80 N 0.00 2.94 0.00 0.52 0.04 -1.26 -4.97 135.00 132.27 1u39 s PRO 80 Ca 0.00 -0.25 0.07 0.00 0.04 0.00 0.00 61.00 60.87 1u39 s PRO 80 Cb 0.00 -4.79 -0.03 0.00 0.04 0.00 0.00 34.50 29.72 1u39 s PRO 80 CO 0.00 -2.70 -0.22 0.08 0.04 0.00 0.00 177.00 174.20 1u39 s VAL 81 N 7.79 2.46 -0.00 -0.36 1.01 -1.26 -4.27 120.40 125.77 1u39 s VAL 81 Ca 0.57 -1.10 0.07 0.00 0.00 0.00 0.00 61.98 61.52 1u39 s VAL 81 Cb -0.07 -1.94 -0.02 0.00 0.00 0.00 0.00 36.38 34.35 1u39 s VAL 81 CO 0.06 0.48 -0.22 -0.89 0.00 0.00 0.00 175.10 174.53 1u39 s THR 82 N -0.75 1.74 -0.40 3.92 2.01 -0.94 -4.97 115.64 116.25 1u39 s THR 82 Ca 0.12 -1.00 -0.16 0.00 0.31 0.00 0.00 61.69 60.96 1u39 s THR 82 Cb -0.10 -1.46 0.01 0.00 0.01 0.00 0.00 72.50 70.96 1u39 s THR 82 CO 0.01 0.44 0.40 -0.89 -0.69 0.00 0.00 174.62 173.89 1u39 s THR 83 N -0.57 5.13 -0.53 -0.82 2.01 -1.26 -1.60 115.64 118.00 1u39 s THR 83 Ca 0.08 -0.30 -0.22 0.00 0.31 0.00 0.00 61.69 61.56 1u39 s THR 83 Cb -0.09 -3.97 0.05 0.00 0.01 0.00 0.00 72.50 68.50 1u39 s THR 83 CO -0.00 -0.32 0.83 -0.69 -0.69 0.00 0.00 174.62 173.75 1u39 s VAL 84 N 2.04 4.55 -0.95 3.82 1.01 0.30 -4.10 120.40 127.06 1u39 s VAL 84 Ca 0.11 0.02 -0.08 0.00 0.00 0.00 0.00 61.98 62.03 1u39 s VAL 84 Cb -0.17 -4.46 0.24 0.00 0.00 0.00 0.00 36.38 31.99 1u39 s VAL 84 CO 0.13 -1.01 0.89 -0.22 0.00 0.00 0.00 175.10 174.89 1u39 s LEU 85 N 3.50 6.21 0.05 3.92 2.96 -1.17 -0.10 118.68 134.06 1u39 s LEU 85 Ca 0.25 -3.31 -0.29 0.00 -0.22 0.00 0.00 54.13 50.56 1u39 s LEU 85 Cb -0.15 -2.12 -0.05 0.00 0.50 0.00 0.00 46.19 44.38 1u39 s LEU 85 CO 0.17 -0.35 0.93 -0.63 -1.32 0.00 0.00 176.35 175.15 1u39 s ILE 86 N -0.79 4.70 0.42 6.68 1.01 -0.32 -2.64 121.20 130.27 1u39 s ILE 86 Ca 0.25 1.99 -0.22 0.00 0.00 0.00 0.00 60.65 62.67 1u39 s ILE 86 Cb -0.10 -4.29 -0.11 0.00 0.01 0.00 0.00 42.46 37.98 1u39 s ILE 86 CO -0.09 0.26 0.96 -0.13 0.00 0.00 0.00 174.94 175.94 1u39 s ARG 87 N 0.44 4.24 -0.31 2.79 1.81 -1.26 0.03 118.95 126.69 1u39 s ARG 87 Ca 0.48 1.19 0.01 0.00 -1.72 0.00 0.00 55.73 55.68 1u39 s ARG 87 Cb -0.22 -2.28 0.19 0.00 -0.45 0.00 0.00 34.95 32.20 1u39 s ARG 87 CO 0.28 -0.02 0.73 1.03 -0.68 0.00 0.00 175.30 176.64 1u39 s ARG 88 N -2.99 0.48 -0.17 3.54 0.52 0.32 -4.89 118.95 115.76 1u39 s ARG 88 Ca 0.61 0.29 0.04 0.00 -0.52 0.00 0.00 55.73 56.14 1u39 s ARG 88 Cb -0.12 0.17 0.34 0.00 0.52 0.00 0.00 34.95 35.86 1u39 s ARG 88 CO 0.16 -0.83 1.28 -0.35 0.02 0.00 0.00 175.30 175.57 1u39 n PRO 89 N 5.08 2.11 -3.93 3.54 -0.04 -1.26 0.13 135.00 140.62 1u39 n PRO 89 Ca 0.07 -1.43 0.04 0.00 -0.04 0.00 0.00 63.50 62.15 1u39 n PRO 89 Cb 0.56 -1.68 0.01 0.00 -0.04 0.00 0.00 33.50 32.35 1u39 n PRO 89 CO 0.00 0.00 0.00 0.16 -0.04 0.00 0.00 175.50 175.62 1u39 s ASP 90 N -0.19 -0.00 0.00 3.54 -4.77 -1.26 -4.99 116.67 109.00 1u39 s ASP 90 Ca 0.26 -0.05 0.22 0.00 -3.30 0.00 0.00 52.55 49.68 1u39 s ASP 90 Cb 0.21 0.04 0.51 0.00 -1.09 0.00 0.00 42.92 42.60 1u39 s ASP 90 CO 0.06 -0.08 1.45 0.18 0.70 0.00 0.00 175.17 177.48 1u39 n LEU 91 N -0.87 3.38 -2.43 2.11 4.77 -1.26 -4.31 117.00 118.39 1u39 n LEU 91 Ca 0.03 -1.54 -0.14 0.00 -0.03 0.00 0.00 56.01 54.33 1u39 n LEU 91 Cb 0.59 -0.31 0.03 0.00 -2.33 0.00 0.00 43.42 41.41 1u39 n LEU 91 CO 0.13 0.77 0.08 -2.11 -1.33 0.00 0.00 177.39 174.93 1u39 n ARG 92 N 1.40 2.68 -4.76 3.23 1.85 -1.26 -4.94 116.66 114.85 1u39 n ARG 92 Ca 0.20 -3.88 -0.32 0.00 -1.00 0.00 0.00 57.85 52.85 1u39 n ARG 92 Cb 0.57 -1.93 -0.17 0.00 -1.05 0.00 0.00 32.46 29.88 1u39 n ARG 92 CO 0.00 0.00 0.00 0.71 -0.01 0.00 0.00 177.63 178.33 1u39 s TYR 93 N -3.62 2.58 0.07 2.89 1.51 -1.26 -5.12 117.35 114.39 1u39 s TYR 93 Ca 0.40 -1.25 -0.23 0.00 -1.01 0.00 0.00 57.07 54.97 1u39 s TYR 93 Cb 0.38 -1.76 -0.06 0.00 -0.11 0.00 0.00 41.96 40.41 1u39 s TYR 93 CO -0.01 -0.56 0.71 -0.65 -1.11 0.00 0.00 175.55 173.92 1u39 s GLN 94 N 0.74 4.44 0.23 -0.62 1.11 -1.26 -4.97 119.66 119.33 1u39 s GLN 94 Ca -0.09 0.98 0.11 0.00 0.01 0.00 0.00 55.36 56.37 1u39 s GLN 94 Cb -0.16 -3.32 0.10 0.00 -1.01 0.00 0.00 33.01 28.63 1u39 s GLN 94 CO 0.00 0.41 1.45 -0.07 0.01 0.00 0.00 175.29 177.10 1u39 h LEU 95 N 5.20 0.00 -2.84 2.90 4.07 -1.93 -3.45 115.31 119.26 1u39 h LEU 95 Ca -0.46 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.50 1u39 h LEU 95 Cb 1.21 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.95 1u39 h LEU 95 CO 0.68 0.71 -0.04 0.61 -1.08 0.00 0.00 178.44 179.33 1u39 n GLY 96 N 0.93 -0.63 3.61 0.83 0.00 -1.26 -3.41 105.19 105.26 1u39 n GLY 96 Ca 0.00 0.05 -0.04 0.00 0.00 0.00 0.00 46.02 46.03 1u39 n GLY 96 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1u39 s PHE 97 N -2.49 -0.11 -0.14 1.61 -0.71 -1.26 -2.08 117.98 112.80 1u39 s PHE 97 Ca 0.02 0.11 -0.04 0.00 -1.04 0.00 0.00 56.93 55.98 1u39 s PHE 97 Cb -0.01 0.50 -0.03 0.00 -1.21 0.00 0.00 43.02 42.27 1u39 s PHE 97 CO 0.19 -0.15 0.02 0.45 -1.34 0.00 0.00 175.22 174.38 1u39 s SER 98 N -1.78 5.29 -0.07 1.98 0.15 -0.35 -4.98 113.70 113.94 1u39 s SER 98 Ca 0.09 0.06 0.05 0.00 0.70 0.00 0.00 55.95 56.85 1u39 s SER 98 Cb -0.01 -1.75 -0.01 0.00 -1.71 0.00 0.00 66.02 62.54 1u39 s SER 98 CO -0.05 0.25 -0.22 0.54 1.20 0.00 0.00 173.24 174.97 1u39 s VAL 99 N -0.12 2.31 -0.43 4.45 0.11 -1.26 -1.97 120.40 123.49 1u39 s VAL 99 Ca 0.05 -0.97 0.02 0.00 -2.93 0.00 0.00 61.98 58.15 1u39 s VAL 99 Cb -0.12 -1.87 0.14 0.00 -1.53 0.00 0.00 36.38 32.99 1u39 s VAL 99 CO 0.02 0.57 0.24 -1.10 -3.33 0.00 0.00 175.10 171.50 1u39 s GLN 100 N -0.13 1.17 -1.64 1.54 -0.21 0.20 -4.80 119.66 115.77 1u39 s GLN 100 Ca -0.04 -1.92 0.00 0.00 0.02 0.00 0.00 55.36 53.42 1u39 s GLN 100 Cb -0.14 -2.14 0.00 0.00 1.00 0.00 0.00 33.01 31.73 1u39 s GLN 100 CO 0.04 -1.18 0.00 0.09 -2.12 0.00 0.00 175.29 172.12 1u39 n ASN 101 N 3.57 -4.99 0.00 5.90 4.13 -1.26 -1.78 115.26 120.83 1u39 n ASN 101 Ca 0.10 0.38 0.00 0.00 1.68 0.00 0.00 54.58 56.75 1u39 n ASN 101 Cb 0.36 -4.18 0.00 0.00 -1.54 0.00 0.00 39.78 34.41 1u39 n ASN 101 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1u39 n GLY 102 N -0.13 3.72 3.75 7.41 0.00 -1.26 -4.52 105.19 114.16 1u39 n GLY 102 Ca -0.15 -0.99 -0.40 0.00 0.00 0.00 0.00 46.02 44.48 1u39 n GLY 102 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1u39 s ILE 103 N -0.01 3.88 -0.12 -0.61 1.01 -0.73 0.16 121.20 124.78 1u39 s ILE 103 Ca 0.00 1.80 -0.09 0.00 0.00 0.00 0.00 60.65 62.37 1u39 s ILE 103 Cb 0.00 -4.15 -0.04 0.00 0.01 0.00 0.00 42.46 38.28 1u39 s ILE 103 CO 0.00 0.39 0.18 -0.63 0.00 0.00 0.00 174.94 174.88 1u39 s ILE 104 N -0.88 5.43 0.00 2.92 1.09 -1.17 0.58 121.20 129.17 1u39 s ILE 104 Ca 0.44 0.29 0.00 0.00 -1.10 0.00 0.00 60.65 60.29 1u39 s ILE 104 Cb -0.28 -3.46 0.00 0.00 -1.06 0.00 0.00 42.46 37.66 1u39 s ILE 104 CO 0.35 0.57 0.00 0.00 -0.10 0.00 0.00 174.94 175.77 1u39 s SER 106 N -1.26 6.51 -0.22 0.00 1.04 -1.26 -4.82 113.70 113.69 1u39 s SER 106 Ca 0.00 0.57 -0.03 0.00 0.48 0.00 0.00 55.95 56.97 1u39 s SER 106 Cb 0.00 -2.32 -0.00 0.00 0.10 0.00 0.00 66.02 63.80 1u39 s SER 106 CO 0.00 -0.38 -0.05 -0.22 0.98 0.00 0.00 173.24 173.57 1u39 s LEU 107 N 2.48 2.89 -0.64 2.42 2.96 -1.26 -1.22 118.68 126.30 1u39 s LEU 107 Ca 0.24 -0.48 -0.26 0.00 -0.22 0.00 0.00 54.13 53.41 1u39 s LEU 107 Cb -0.15 -1.71 -0.04 0.00 0.50 0.00 0.00 46.19 44.79 1u39 s LEU 107 CO 0.10 -0.04 1.97 -0.04 -1.32 0.00 0.00 176.35 177.02 1u39 s MET 108 N 1.45 2.51 -0.03 1.98 -1.94 -0.88 -4.92 119.30 117.46 1u39 s MET 108 Ca 0.05 0.59 -0.29 0.00 -1.71 0.00 0.00 55.69 54.32 1u39 s MET 108 Cb -0.14 -4.53 -0.08 0.00 2.01 0.00 0.00 34.83 32.09 1u39 s MET 108 CO -0.04 -2.96 2.00 1.03 -0.01 0.00 0.00 175.02 175.04 1u39 s ARG 109 N 7.27 3.90 0.00 2.03 0.52 -1.26 -2.43 118.95 128.99 1u39 s ARG 109 Ca 0.73 2.43 0.00 0.00 -0.52 0.00 0.00 55.73 58.37 1u39 s ARG 109 Cb -0.12 -4.20 0.00 0.00 0.52 0.00 0.00 34.95 31.15 1u39 s ARG 109 CO 0.18 -1.22 0.00 0.41 0.02 0.00 0.00 175.30 174.69 1u39 n GLY 110 N 4.80 1.59 0.00 -3.53 0.00 -1.26 -5.11 105.19 101.69 1u39 n GLY 110 Ca 0.22 -0.11 0.00 0.00 0.00 0.00 0.00 46.02 46.13 1u39 n GLY 110 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1u39 n GLY 111 N -0.77 7.20 0.15 -0.02 0.00 -1.02 -5.06 105.19 105.68 1u39 n GLY 111 Ca 0.00 -2.04 -0.25 0.00 0.00 0.00 0.00 46.02 43.73 1u39 n GLY 111 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1u39 h ILE 112 N 0.07 1.24 -0.95 -0.61 2.04 -1.87 -3.29 117.51 114.13 1u39 h ILE 112 Ca 0.00 -2.69 0.06 0.00 1.00 0.00 0.00 64.86 63.23 1u39 h ILE 112 Cb 0.00 3.02 -0.06 0.00 -0.74 0.00 0.00 36.82 39.03 1u39 h ILE 112 CO 0.00 0.82 0.62 0.00 0.00 0.00 0.00 178.15 179.59 1u39 h ALA 113 N 0.15 1.44 -0.65 1.87 0.00 -1.87 -1.17 119.26 119.03 1u39 h ALA 113 Ca -0.27 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.58 1u39 h ALA 113 Cb 2.17 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 19.63 1u39 h ALA 113 CO 0.27 0.42 0.25 1.05 0.00 0.00 0.00 179.25 181.25 1u39 h GLU 114 N 1.12 0.95 -0.36 0.00 4.11 -1.85 -2.71 114.58 115.85 1u39 h GLU 114 Ca 0.40 -0.16 0.01 0.00 0.07 0.00 0.00 59.36 59.69 1u39 h GLU 114 Cb 0.14 -0.16 -0.02 0.00 0.50 0.00 0.00 28.75 29.21 1u39 h GLU 114 CO -0.15 0.78 0.21 0.00 0.07 0.00 0.00 179.01 179.93 1u39 h ARG 115 N 0.94 0.42 0.00 1.06 3.08 -1.29 -3.26 114.38 115.32 1u39 h ARG 115 Ca 0.22 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.24 1u39 h ARG 115 Cb 0.19 -0.09 0.00 0.00 0.08 0.00 0.00 29.97 30.14 1u39 h ARG 115 CO -0.02 0.28 0.00 0.41 -1.07 0.00 0.00 179.97 179.57 1u39 n GLY 116 N -1.20 -2.63 0.00 0.04 0.00 -1.03 -4.75 105.19 95.62 1u39 n GLY 116 Ca 0.00 0.11 0.00 0.00 0.00 0.00 0.00 46.02 46.13 1u39 n GLY 116 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1u39 n GLY 117 N -0.95 0.03 2.36 -0.02 0.00 -1.12 -3.01 105.19 102.47 1u39 n GLY 117 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 1u39 n GLY 117 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 1u39 n VAL 118 N 0.00 0.52 -4.00 1.61 3.14 -1.21 -4.84 118.33 113.55 1u39 n VAL 118 Ca 0.00 -0.36 -0.09 0.00 -2.96 0.00 0.00 64.34 60.94 1u39 n VAL 118 Cb 0.00 0.00 -0.10 0.00 -1.06 0.00 0.00 33.84 32.68 1u39 n VAL 118 CO 0.00 0.00 0.00 -0.60 -6.46 0.00 0.00 176.83 169.77 1u39 s ARG 119 N -0.71 0.46 -1.00 1.45 3.52 -1.26 -4.74 118.95 116.66 1u39 s ARG 119 Ca 0.42 -0.81 -0.23 0.00 -0.13 0.00 0.00 55.73 54.99 1u39 s ARG 119 Cb -0.47 0.17 -0.00 0.00 -1.56 0.00 0.00 34.95 33.09 1u39 s ARG 119 CO 0.45 -0.09 1.73 0.08 -0.81 0.00 0.00 175.30 176.65 1u39 s VAL 120 N -2.39 3.70 0.00 7.11 1.01 -1.26 -3.22 120.40 125.35 1u39 s VAL 120 Ca -0.07 -0.69 0.00 0.00 0.00 0.00 0.00 61.98 61.22 1u39 s VAL 120 Cb -0.03 -4.57 0.00 0.00 0.00 0.00 0.00 36.38 31.78 1u39 s VAL 120 CO -0.04 -1.44 0.00 0.61 0.00 0.00 0.00 175.10 174.23 1u39 n GLY 121 N 6.67 0.80 2.81 4.51 0.00 -1.19 -5.05 105.19 113.74 1u39 n GLY 121 Ca 0.38 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 46.18 1u39 n GLY 121 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1u39 s HIS 122 N -1.44 0.71 -0.92 1.61 3.76 -1.20 -4.18 115.29 113.64 1u39 s HIS 122 Ca 0.00 -0.20 -0.24 0.00 -0.15 0.00 0.00 55.06 54.47 1u39 s HIS 122 Cb 0.00 -0.77 0.04 0.00 1.11 0.00 0.00 32.58 32.96 1u39 s HIS 122 CO 0.00 -0.30 1.40 0.50 -0.85 0.00 0.00 174.74 175.50 1u39 s ARG 123 N 1.67 3.42 0.89 1.40 3.52 0.36 -3.04 118.95 127.18 1u39 s ARG 123 Ca 0.01 -0.78 -0.14 0.00 -0.13 0.00 0.00 55.73 54.68 1u39 s ARG 123 Cb -0.13 -4.93 -0.01 0.00 -1.56 0.00 0.00 34.95 28.32 1u39 s ARG 123 CO -0.04 -2.21 0.24 -0.89 -0.81 0.00 0.00 175.30 171.59 1u39 n ILE 124 N 6.73 0.45 0.00 4.11 5.41 0.43 -2.21 119.36 134.28 1u39 n ILE 124 Ca 0.22 -0.30 0.00 0.00 1.00 0.00 0.00 62.75 63.68 1u39 n ILE 124 Cb 0.50 -0.54 0.00 0.00 -0.71 0.00 0.00 39.64 38.89 1u39 n ILE 124 CO 0.00 0.00 0.00 2.30 0.00 0.00 0.00 176.55 178.85 1u39 n ILE 125 N -3.08 0.00 -2.31 1.39 -5.35 0.16 -4.03 119.36 106.14 1u39 n ILE 125 Ca 0.06 0.00 -0.35 0.00 -0.27 0.00 0.00 62.75 62.19 1u39 n ILE 125 Cb 0.53 0.00 -0.03 0.00 -1.74 0.00 0.00 39.64 38.40 1u39 n ILE 125 CO 0.00 0.00 0.00 -1.61 -1.76 0.00 0.00 176.55 173.18 1u39 s GLU 126 N 0.00 3.19 -0.92 6.28 2.02 -1.23 0.93 118.70 128.97 1u39 s GLU 126 Ca 0.00 -1.51 -0.22 0.00 0.02 0.00 0.00 54.97 53.26 1u39 s GLU 126 Cb 0.00 -5.37 0.08 0.00 0.10 0.00 0.00 34.13 28.94 1u39 s GLU 126 CO 0.00 -3.15 1.26 0.42 0.02 0.00 0.00 175.26 173.81 1u39 s ILE 127 N 7.80 4.26 -1.87 -1.63 1.01 0.12 -2.43 121.20 128.45 1u39 s ILE 127 Ca 0.61 -0.92 0.00 0.00 0.00 0.00 0.00 60.65 60.34 1u39 s ILE 127 Cb 0.01 -4.90 0.00 0.00 0.01 0.00 0.00 42.46 37.58 1u39 s ILE 127 CO 0.10 -1.71 0.00 0.59 0.00 0.00 0.00 174.94 173.91 1u39 n ASN 128 N 7.91 -5.40 0.00 3.58 3.02 0.42 -1.25 115.26 123.53 1u39 n ASN 128 Ca 0.23 0.24 0.00 0.00 -0.03 0.00 0.00 54.58 55.01 1u39 n ASN 128 Cb 0.49 -4.64 0.00 0.00 -0.61 0.00 0.00 39.78 35.02 1u39 n ASN 128 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1u39 n GLY 129 N -0.69 2.15 3.51 7.41 0.00 -1.26 -5.06 105.19 111.25 1u39 n GLY 129 Ca -0.22 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.38 1u39 n GLY 129 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1u39 s GLN 130 N -0.33 3.28 -0.88 1.61 0.74 -0.38 -4.99 119.66 118.70 1u39 s GLN 130 Ca 0.00 -0.49 -0.25 0.00 0.05 0.00 0.00 55.36 54.67 1u39 s GLN 130 Cb 0.00 -3.93 0.01 0.00 1.10 0.00 0.00 33.01 30.20 1u39 s GLN 130 CO 0.00 -0.86 1.60 0.45 -0.55 0.00 0.00 175.29 175.93 1u39 s SER 131 N 1.87 5.92 0.00 6.67 0.15 -1.23 0.12 113.70 127.20 1u39 s SER 131 Ca 0.17 -0.82 0.26 0.00 0.70 0.00 0.00 55.95 56.26 1u39 s SER 131 Cb -0.16 -2.56 1.48 0.00 -1.71 0.00 0.00 66.02 63.07 1u39 s SER 131 CO 0.15 -2.01 1.89 1.33 1.20 0.00 0.00 173.24 175.80 1u39 n VAL 132 N 7.09 0.06 -0.32 4.45 0.24 0.26 -4.00 118.33 126.12 1u39 n VAL 132 Ca 0.27 0.01 0.17 0.00 -2.04 0.00 0.00 64.34 62.76 1u39 n VAL 132 Cb 0.50 -0.60 0.35 0.00 -1.47 0.00 0.00 33.84 32.61 1u39 n VAL 132 CO 0.00 0.00 0.00 1.62 -2.14 0.00 0.00 176.83 176.31 1u39 h VAL 133 N 0.00 0.17 -0.14 3.34 3.04 -1.72 0.23 116.25 121.17 1u39 h VAL 133 Ca 0.00 -0.04 -0.07 0.00 -1.01 0.00 0.00 66.70 65.58 1u39 h VAL 133 Cb 0.06 0.04 -0.04 0.00 -2.01 0.00 0.00 31.29 29.35 1u39 h VAL 133 CO 0.00 0.02 -0.33 0.00 -1.01 0.00 0.00 177.57 176.25 1u39 n ALA 134 N -2.75 3.90 -2.64 3.17 0.00 -1.26 -4.88 120.51 116.04 1u39 n ALA 134 Ca 0.25 -3.24 -0.33 0.00 0.00 0.00 0.00 53.44 50.12 1u39 n ALA 134 Cb 0.82 -0.50 -0.10 0.00 0.00 0.00 0.00 19.45 19.67 1u39 n ALA 134 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1u39 s THR 135 N -3.24 4.01 1.02 0.00 2.01 0.82 -5.11 115.64 115.16 1u39 s THR 135 Ca 0.40 -0.50 -0.15 0.00 0.31 0.00 0.00 61.69 61.75 1u39 s THR 135 Cb 0.38 -2.72 0.07 0.00 0.01 0.00 0.00 72.50 70.25 1u39 s THR 135 CO -0.04 0.50 0.25 -2.65 -0.69 0.00 0.00 174.62 171.98 1u39 n PRO 136 N 1.83 -0.87 -0.02 4.92 -0.02 -1.26 -4.34 135.00 135.24 1u39 n PRO 136 Ca -0.17 -0.22 -0.13 0.00 -2.02 0.00 0.00 63.50 60.96 1u39 n PRO 136 Cb 0.53 -1.80 -0.10 0.00 -0.02 0.00 0.00 33.50 32.11 1u39 n PRO 136 CO 0.00 0.00 0.00 1.12 1.98 0.00 0.00 175.50 178.60 1u39 h HIS 137 N -1.79 0.02 -0.78 6.00 2.07 -1.91 -3.15 115.15 115.61 1u39 h HIS 137 Ca -0.48 -0.01 0.15 0.00 -2.85 0.00 0.00 60.37 57.18 1u39 h HIS 137 Cb 1.31 -0.00 -0.05 0.00 2.57 0.00 0.00 27.41 31.24 1u39 h HIS 137 CO 0.29 0.56 0.51 1.49 -3.07 0.00 0.00 177.93 177.72 1u39 h GLU 138 N -0.52 0.46 -0.22 5.12 4.57 -1.92 -1.42 114.58 120.64 1u39 h GLU 138 Ca 0.00 -0.03 -0.01 0.00 -1.18 0.00 0.00 59.36 58.14 1u39 h GLU 138 Cb 0.56 -0.10 -0.01 0.00 -0.16 0.00 0.00 28.75 29.04 1u39 h GLU 138 CO 0.00 0.30 0.10 -0.22 -1.18 0.00 0.00 179.01 178.01 1u39 h LYS 139 N 0.47 0.33 -0.50 1.92 3.64 -1.92 -1.55 116.57 118.97 1u39 h LYS 139 Ca 0.38 -0.05 0.03 0.00 -1.27 0.00 0.00 60.65 59.73 1u39 h LYS 139 Cb 0.81 -0.06 -0.03 0.00 -0.41 0.00 0.00 32.23 32.54 1u39 h LYS 139 CO -0.13 0.36 0.29 0.82 -2.27 0.00 0.00 179.45 178.51 1u39 h ILE 140 N 0.22 1.04 -0.25 2.00 2.04 -1.24 -0.83 117.51 120.49 1u39 h ILE 140 Ca 0.08 -0.20 -0.00 0.00 1.00 0.00 0.00 64.86 65.74 1u39 h ILE 140 Cb 0.14 0.41 -0.01 0.00 -0.74 0.00 0.00 36.82 36.62 1u39 h ILE 140 CO -0.01 0.11 0.15 0.58 0.00 0.00 0.00 178.15 178.98 1u39 h VAL 141 N 0.58 1.07 0.33 1.67 2.07 -1.26 -2.57 116.25 118.13 1u39 h VAL 141 Ca 0.20 -0.16 -0.02 0.00 0.82 0.00 0.00 66.70 67.55 1u39 h VAL 141 Cb 0.03 0.72 0.00 0.00 -1.52 0.00 0.00 31.29 30.53 1u39 h VAL 141 CO -0.10 0.07 -0.16 -0.74 0.02 0.00 0.00 177.57 176.67 1u39 h HIS 142 N 0.34 -0.41 0.10 1.57 6.17 -0.11 0.89 115.15 123.69 1u39 h HIS 142 Ca 0.09 -0.01 0.02 0.00 0.71 0.00 0.00 60.37 61.18 1u39 h HIS 142 Cb -0.01 0.13 -0.05 0.00 2.52 0.00 0.00 27.41 30.00 1u39 h HIS 142 CO 0.00 -0.19 -0.39 0.82 0.71 0.00 0.00 177.93 178.89 1u39 h ILE 143 N -0.54 0.21 -0.03 6.26 5.03 -1.11 0.22 117.51 127.55 1u39 h ILE 143 Ca -0.04 0.00 -0.03 0.00 -0.12 0.00 0.00 64.86 64.67 1u39 h ILE 143 Cb 0.40 0.21 -0.00 0.00 -3.03 0.00 0.00 36.82 34.39 1u39 h ILE 143 CO 0.07 0.00 -0.10 -0.07 -0.68 0.00 0.00 178.15 177.37 1u39 h LEU 144 N -0.60 0.04 -1.37 1.44 3.38 -1.44 1.46 115.31 118.21 1u39 h LEU 144 Ca 0.03 -0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.93 1u39 h LEU 144 Cb 0.64 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.37 1u39 h LEU 144 CO -0.24 0.15 -0.30 -1.28 0.09 0.00 0.00 178.44 176.86 1u39 h SER 145 N 0.04 0.00 -0.39 -0.43 0.87 0.26 -3.21 113.55 110.69 1u39 h SER 145 Ca 0.01 0.00 -0.28 0.00 -1.23 0.00 0.00 61.79 60.29 1u39 h SER 145 Cb 0.21 0.00 -0.37 0.00 -0.44 0.00 0.00 62.40 61.80 1u39 h SER 145 CO 0.01 0.30 -0.99 0.59 -0.53 0.00 0.00 176.83 176.22 1u39 n ASN 146 N -3.86 2.24 -0.11 6.23 3.02 0.60 -4.82 115.26 118.55 1u39 n ASN 146 Ca -0.02 -2.57 -0.15 0.00 -0.03 0.00 0.00 54.58 51.82 1u39 n ASN 146 Cb 0.38 -0.42 -0.12 0.00 -0.61 0.00 0.00 39.78 39.01 1u39 n ASN 146 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1u39 n ALA 147 N -0.47 1.49 -0.26 5.41 0.00 0.48 -4.93 120.51 122.25 1u39 n ALA 147 Ca 0.16 -1.08 0.01 0.00 0.00 0.00 0.00 53.44 52.54 1u39 n ALA 147 Cb 0.89 -0.08 -0.00 0.00 0.00 0.00 0.00 19.45 20.26 1u39 n ALA 147 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 1u39 n VAL 148 N -3.09 0.00 -2.36 0.00 0.24 -1.26 -4.80 118.33 107.06 1u39 n VAL 148 Ca -0.40 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 61.90 1u39 n VAL 148 Cb 0.99 -0.03 0.00 0.00 -1.47 0.00 0.00 33.84 33.33 1u39 n VAL 148 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1u39 n GLY 149 N -0.36 3.19 3.14 7.63 0.00 0.34 -3.97 105.19 115.17 1u39 n GLY 149 Ca 0.00 -0.23 -0.38 0.00 0.00 0.00 0.00 46.02 45.41 1u39 n GLY 149 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1u39 s GLU 150 N 0.00 2.72 -0.19 1.61 0.41 -1.26 0.12 118.70 122.11 1u39 s GLU 150 Ca 0.00 -2.45 -0.28 0.00 -0.41 0.00 0.00 54.97 51.82 1u39 s GLU 150 Cb 0.00 -3.85 -0.05 0.00 -1.78 0.00 0.00 34.13 28.44 1u39 s GLU 150 CO 0.00 -1.19 2.13 0.42 -0.49 0.00 0.00 175.26 176.13 1u39 s ILE 151 N 0.09 3.07 -0.34 -1.63 1.01 0.10 -4.77 121.20 118.73 1u39 s ILE 151 Ca 0.16 0.07 -0.21 0.00 0.00 0.00 0.00 60.65 60.67 1u39 s ILE 151 Cb -0.19 -3.08 -0.00 0.00 0.01 0.00 0.00 42.46 39.20 1u39 s ILE 151 CO -0.04 -0.05 0.66 -2.28 0.00 0.00 0.00 174.94 173.23 1u39 s HIS 152 N 7.58 3.17 0.15 3.97 5.65 -1.26 -1.17 115.29 133.39 1u39 s HIS 152 Ca 0.96 0.48 0.03 0.00 0.25 0.00 0.00 55.06 56.79 1u39 s HIS 152 Cb -0.33 -3.12 -0.05 0.00 -1.18 0.00 0.00 32.58 27.91 1u39 s HIS 152 CO 0.36 -0.58 -0.05 -1.64 -0.65 0.00 0.00 174.74 172.18 1u39 s MET 153 N 2.73 1.06 -0.00 2.88 -1.94 0.86 0.16 119.30 125.04 1u39 s MET 153 Ca 0.26 -1.48 0.02 0.00 -1.71 0.00 0.00 55.69 52.78 1u39 s MET 153 Cb -0.14 -0.40 -0.01 0.00 2.01 0.00 0.00 34.83 36.28 1u39 s MET 153 CO 0.14 -0.04 -0.08 0.15 -0.01 0.00 0.00 175.02 175.18 1u39 s LYS 154 N -3.84 0.63 0.02 2.03 1.02 -1.02 0.11 119.74 118.69 1u39 s LYS 154 Ca 0.19 -0.30 -0.00 0.00 0.02 0.00 0.00 55.97 55.88 1u39 s LYS 154 Cb 0.05 -0.60 -0.02 0.00 -0.52 0.00 0.00 37.83 36.74 1u39 s LYS 154 CO 0.01 0.16 -0.02 0.95 -0.92 0.00 0.00 175.35 175.54 1u39 s THR 155 N -0.23 0.10 0.11 2.17 -4.23 -0.63 0.40 115.64 113.33 1u39 s THR 155 Ca 0.03 -0.85 0.04 0.00 -1.18 0.00 0.00 61.69 59.73 1u39 s THR 155 Cb -0.03 -0.26 -0.04 0.00 1.34 0.00 0.00 72.50 73.51 1u39 s THR 155 CO -0.00 -0.46 -0.11 0.00 -0.54 0.00 0.00 174.62 173.51 1u39 s MET 156 N -1.37 0.92 -0.02 3.99 0.23 -0.94 -2.22 119.30 119.88 1u39 s MET 156 Ca -0.15 -1.24 -0.32 0.00 -1.03 0.00 0.00 55.69 52.95 1u39 s MET 156 Cb -0.09 -0.60 -0.11 0.00 -1.53 0.00 0.00 34.83 32.50 1u39 s MET 156 CO -0.01 0.09 1.92 -0.35 -2.03 0.00 0.00 175.02 174.64 1u39 n PRO 157 N 0.37 2.51 0.00 3.16 -0.04 -1.26 0.14 135.00 139.88 1u39 n PRO 157 Ca -0.15 0.92 0.16 0.00 -0.04 0.00 0.00 63.50 64.39 1u39 n PRO 157 Cb 0.58 -2.82 0.89 0.00 -0.04 0.00 0.00 33.50 32.11 1u39 n PRO 157 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46