#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2p5m s ARG 69 N 0.00 2.86 0.00 -1.09 1.81 -1.26 -5.06 118.95 116.21 2p5m s ARG 69 Ca 0.00 -0.65 0.05 0.00 -1.72 0.00 0.00 55.73 53.41 2p5m s ARG 69 Cb 0.00 -2.72 0.06 0.00 -0.45 0.00 0.00 34.95 31.83 2p5m s ARG 69 CO 0.00 0.59 0.73 1.19 -0.68 0.00 0.00 175.30 177.13 2p5m n PHE 70 N 0.80 0.03 -1.19 -0.53 3.01 -1.26 -4.22 117.46 114.10 2p5m n PHE 70 Ca -0.11 -0.07 -0.31 0.00 1.01 0.00 0.00 57.45 57.98 2p5m n PHE 70 Cb 0.52 -0.01 0.11 0.00 -0.01 0.00 0.00 39.48 40.10 2p5m n PHE 70 CO 0.00 0.00 0.00 0.54 1.01 0.00 0.00 176.76 178.31 2p5m s ASN 71 N -0.52 4.04 0.28 4.37 6.03 -1.26 -4.61 114.94 123.27 2p5m s ASN 71 Ca 0.07 1.76 0.01 0.00 -1.03 0.00 0.00 52.86 53.67 2p5m s ASN 71 Cb 0.05 -2.43 0.64 0.00 -3.03 0.00 0.00 41.25 36.48 2p5m s ASN 71 CO 0.07 -2.32 1.70 -0.65 -2.03 0.00 0.00 177.10 173.87 2p5m h PRO 72 N -1.33 0.39 -0.47 3.55 0.11 -1.96 0.19 132.00 132.48 2p5m h PRO 72 Ca -0.45 -0.02 -0.07 0.00 0.11 0.00 0.00 66.00 65.56 2p5m h PRO 72 Cb 1.25 -0.09 -0.02 0.00 0.11 0.00 0.00 31.00 32.26 2p5m h PRO 72 CO 0.51 0.26 0.02 1.25 -0.21 0.00 0.00 178.00 179.83 2p5m h LEU 73 N 0.40 0.80 -0.79 2.35 5.85 -1.92 -0.37 115.31 121.63 2p5m h LEU 73 Ca 0.51 -0.30 -0.10 0.00 0.84 0.00 0.00 57.88 58.83 2p5m h LEU 73 Cb 0.93 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 41.73 2p5m h LEU 73 CO -0.51 0.90 -0.21 0.28 -0.34 0.00 0.00 178.44 178.56 2p5m h SER 74 N 0.68 0.69 -0.63 1.25 0.02 -1.57 0.18 113.55 114.17 2p5m h SER 74 Ca 0.14 -0.24 -0.03 0.00 -0.84 0.00 0.00 61.79 60.82 2p5m h SER 74 Cb 0.48 -0.19 -0.03 0.00 0.14 0.00 0.00 62.40 62.80 2p5m h SER 74 CO 0.02 0.89 0.26 0.11 -1.14 0.00 0.00 176.83 176.98 2p5m h LYS 75 N 0.61 0.93 -0.00 3.45 1.57 -0.46 0.13 116.57 122.79 2p5m h LYS 75 Ca 0.09 -0.16 -0.00 0.00 -1.87 0.00 0.00 60.65 58.71 2p5m h LYS 75 Cb 0.69 -0.15 -0.00 0.00 0.08 0.00 0.00 32.23 32.84 2p5m h LYS 75 CO 0.05 0.77 0.00 1.25 -0.57 0.00 0.00 179.45 180.96 2p5m h LEU 76 N 0.87 0.00 -0.16 2.94 6.46 -0.61 0.16 115.31 124.97 2p5m h LEU 76 Ca 0.21 -0.14 0.05 0.00 -0.12 0.00 0.00 57.88 57.88 2p5m h LEU 76 Cb 0.18 -0.00 -0.05 0.00 -0.73 0.00 0.00 40.66 40.06 2p5m h LEU 76 CO -0.02 0.14 -0.15 0.50 -0.62 0.00 0.00 178.44 178.29 2p5m h LYS 77 N -0.13 -0.17 -0.25 1.25 3.64 -0.54 0.99 116.57 121.37 2p5m h LYS 77 Ca 0.00 0.01 0.01 0.00 -1.27 0.00 0.00 60.65 59.41 2p5m h LYS 77 Cb 0.14 0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 31.98 2p5m h LYS 77 CO -0.00 -0.11 0.13 -0.09 -2.27 0.00 0.00 179.45 177.11 2p5m h ARG 78 N -0.17 0.26 -0.62 1.90 2.43 -0.63 -2.33 114.38 115.22 2p5m h ARG 78 Ca 0.11 -0.02 -0.02 0.00 -0.81 0.00 0.00 59.98 59.24 2p5m h ARG 78 Cb 0.33 -0.06 -0.03 0.00 -0.42 0.00 0.00 29.97 29.79 2p5m h ARG 78 CO -0.27 0.17 0.33 0.00 -1.51 0.00 0.00 179.97 178.69 2p5m h ALA 79 N 1.12 0.80 -0.13 2.80 0.00 -0.16 -1.87 119.26 121.82 2p5m h ALA 79 Ca 0.10 -0.12 0.04 0.00 0.00 0.00 0.00 54.91 54.93 2p5m h ALA 79 Cb 0.02 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 2p5m h ALA 79 CO -0.07 0.33 0.10 -0.07 0.00 0.00 0.00 179.25 179.55 2p5m h LEU 80 N 0.85 0.00 -0.99 0.00 3.38 -0.65 -0.57 115.31 117.33 2p5m h LEU 80 Ca 0.22 0.00 0.09 0.00 0.09 0.00 0.00 57.88 58.28 2p5m h LEU 80 Cb 0.07 0.00 -0.08 0.00 0.09 0.00 0.00 40.66 40.74 2p5m h LEU 80 CO -0.03 0.00 0.63 0.24 0.09 0.00 0.00 178.44 179.36 2p5m h MET 81 N 0.00 1.03 0.00 1.13 2.86 -0.77 0.52 114.93 119.70 2p5m h MET 81 Ca 0.06 -0.06 -0.29 0.00 -2.06 0.00 0.00 59.70 57.35 2p5m h MET 81 Cb 0.26 -0.23 -0.05 0.00 0.06 0.00 0.00 31.60 31.64 2p5m h MET 81 CO -0.00 0.68 -1.92 -0.25 1.06 0.00 0.00 176.91 176.48 2p5m n ASP 82 N -4.58 0.53 -0.03 1.22 8.00 -0.91 -4.61 116.55 116.18 2p5m n ASP 82 Ca 0.17 0.25 0.05 0.00 0.71 0.00 0.00 54.79 55.97 2p5m n ASP 82 Cb 0.27 0.41 -0.14 0.00 -0.02 0.00 0.00 41.12 41.64 2p5m n ASP 82 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2p5m n ALA 83 N -2.59 2.42 -1.89 2.24 0.00 -0.27 -4.82 120.51 115.60 2p5m n ALA 83 Ca -0.21 -0.62 -0.41 0.00 0.00 0.00 0.00 53.44 52.20 2p5m n ALA 83 Cb 1.05 -0.52 -0.02 0.00 0.00 0.00 0.00 19.45 19.96 2p5m n ALA 83 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.50 177.62 2p5m s PHE 84 N -3.09 3.04 0.02 0.00 5.36 0.15 0.17 117.98 123.63 2p5m s PHE 84 Ca -0.07 1.03 0.00 0.00 -0.96 0.00 0.00 56.93 56.93 2p5m s PHE 84 Cb 0.10 -3.81 0.00 0.00 -0.34 0.00 0.00 43.02 38.98 2p5m s PHE 84 CO 0.76 -2.63 0.00 0.28 -1.46 0.00 0.00 175.22 172.17 2p5m n VAL 85 N 2.41 0.23 -3.60 3.12 0.31 -0.26 -4.75 118.33 115.80 2p5m n VAL 85 Ca 0.07 0.08 -0.16 0.00 -0.01 0.00 0.00 64.34 64.31 2p5m n VAL 85 Cb 0.40 -1.47 -0.07 0.00 -0.91 0.00 0.00 33.84 31.79 2p5m n VAL 85 CO 0.00 0.00 0.00 -0.75 -1.32 0.00 0.00 176.83 174.76 2p5m s LYS 86 N -2.00 0.92 -0.01 5.55 2.20 -0.84 -4.97 119.74 120.59 2p5m s LYS 86 Ca 0.00 0.16 0.01 0.00 -0.36 0.00 0.00 55.97 55.78 2p5m s LYS 86 Cb 0.00 0.43 0.00 0.00 -1.51 0.00 0.00 37.83 36.75 2p5m s LYS 86 CO 0.00 -0.27 -0.05 -1.50 -0.36 0.00 0.00 175.35 173.17 2p5m s ILE 87 N -1.15 0.41 0.24 5.43 2.07 -1.26 0.35 121.20 127.29 2p5m s ILE 87 Ca -0.11 -0.18 -0.12 0.00 -1.41 0.00 0.00 60.65 58.83 2p5m s ILE 87 Cb -0.02 -0.38 -0.00 0.00 0.13 0.00 0.00 42.46 42.19 2p5m s ILE 87 CO 0.08 0.14 0.45 -0.62 -1.91 0.00 0.00 174.94 173.08 2p5m s ASP 88 N 0.16 -0.08 0.07 4.50 -1.08 -0.35 -5.00 116.67 114.88 2p5m s ASP 88 Ca -0.02 -0.92 -0.11 0.00 -0.52 0.00 0.00 52.55 50.98 2p5m s ASP 88 Cb -0.05 0.57 0.01 0.00 -1.46 0.00 0.00 42.92 41.99 2p5m s ASP 88 CO -0.00 -1.11 0.25 -0.94 0.52 0.00 0.00 175.17 173.89 2p5m s SER 89 N -3.01 -0.02 -0.15 -0.34 1.04 -1.26 -0.03 113.70 109.93 2p5m s SER 89 Ca 0.22 -0.41 -0.11 0.00 0.48 0.00 0.00 55.95 56.14 2p5m s SER 89 Cb -0.00 0.35 0.05 0.00 0.10 0.00 0.00 66.02 66.52 2p5m s SER 89 CO 0.08 -0.67 0.38 0.00 0.98 0.00 0.00 173.24 174.02 2p5m s ALA 90 N -3.15 -0.96 0.00 5.32 0.00 -0.21 -4.97 121.76 117.79 2p5m s ALA 90 Ca -0.01 1.29 0.00 0.00 0.00 0.00 0.00 51.96 53.25 2p5m s ALA 90 Cb 0.01 -0.78 0.00 0.00 0.00 0.00 0.00 23.12 22.36 2p5m s ALA 90 CO -0.07 -0.22 0.00 0.45 0.00 0.00 0.00 175.76 175.91 2p5m n SER 91 N 3.68 0.00 -0.98 0.00 2.88 -1.26 -1.29 113.62 116.65 2p5m n SER 91 Ca -0.19 0.00 0.11 0.00 -1.33 0.00 0.00 58.87 57.45 2p5m n SER 91 Cb 0.56 0.00 0.27 0.00 -0.75 0.00 0.00 64.21 64.28 2p5m n SER 91 CO 0.00 0.00 0.00 1.41 -1.23 0.00 0.00 175.04 175.22 2p5m n HIS 92 N 4.79 0.54 -4.00 0.66 8.25 -1.26 -3.98 115.22 120.22 2p5m n HIS 92 Ca 0.00 -0.27 -0.11 0.00 -0.26 0.00 0.00 57.72 57.08 2p5m n HIS 92 Cb 0.00 0.00 -0.12 0.00 1.12 0.00 0.00 29.99 30.99 2p5m n HIS 92 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2p5m s MET 93 N -1.46 0.34 -0.11 -0.41 0.00 -0.42 0.05 119.30 117.30 2p5m s MET 93 Ca 0.37 -0.54 -0.03 0.00 0.00 0.00 0.00 55.69 55.50 2p5m s MET 93 Cb 0.20 -0.07 -0.03 0.00 0.00 0.00 0.00 34.83 34.93 2p5m s MET 93 CO 0.28 0.00 -0.01 0.42 0.00 0.00 0.00 175.02 175.71 2p5m s ILE 94 N -1.13 4.16 -0.29 3.16 1.01 0.47 -1.04 121.20 127.53 2p5m s ILE 94 Ca -0.11 -0.29 -0.08 0.00 0.00 0.00 0.00 60.65 60.18 2p5m s ILE 94 Cb -0.08 -2.77 -0.00 0.00 0.01 0.00 0.00 42.46 39.62 2p5m s ILE 94 CO -0.00 0.56 0.10 -0.69 0.00 0.00 0.00 174.94 174.90 2p5m s VAL 95 N -0.40 4.18 -0.22 2.92 1.01 0.96 -0.62 120.40 128.23 2p5m s VAL 95 Ca 0.07 -0.55 -0.00 0.00 0.00 0.00 0.00 61.98 61.50 2p5m s VAL 95 Cb -0.12 -3.12 0.02 0.00 0.00 0.00 0.00 36.38 33.16 2p5m s VAL 95 CO 0.02 0.11 -0.11 -0.22 0.00 0.00 0.00 175.10 174.90 2p5m s LEU 96 N 1.55 2.80 -0.16 3.92 0.20 0.43 -1.22 118.68 126.20 2p5m s LEU 96 Ca 0.04 -0.79 -0.08 0.00 0.69 0.00 0.00 54.13 53.99 2p5m s LEU 96 Cb -0.17 -1.60 -0.04 0.00 -0.43 0.00 0.00 46.19 43.95 2p5m s LEU 96 CO 0.04 -0.07 0.12 -0.75 -0.29 0.00 0.00 176.35 175.40 2p5m s LYS 97 N 1.31 3.80 0.43 1.98 2.47 0.15 0.00 119.74 129.89 2p5m s LYS 97 Ca 0.02 -0.20 0.05 0.00 -1.56 0.00 0.00 55.97 54.28 2p5m s LYS 97 Cb -0.15 -3.28 -0.06 0.00 -1.46 0.00 0.00 37.83 32.87 2p5m s LYS 97 CO -0.07 0.52 0.01 0.95 0.16 0.00 0.00 175.35 176.92 2p5m s THR 98 N -0.29 1.70 0.72 3.43 -4.23 0.35 -1.10 115.64 116.21 2p5m s THR 98 Ca 0.11 -2.00 -0.16 0.00 -1.18 0.00 0.00 61.69 58.46 2p5m s THR 98 Cb -0.12 -2.76 0.00 0.00 1.34 0.00 0.00 72.50 70.97 2p5m s THR 98 CO 0.01 0.00 0.93 0.23 -0.54 0.00 0.00 174.62 175.25 2p5m n MET 99 N -1.02 0.48 -1.58 3.99 2.81 0.13 -4.73 117.12 117.20 2p5m n MET 99 Ca -0.08 0.22 -0.49 0.00 -1.81 0.00 0.00 57.70 55.54 2p5m n MET 99 Cb 0.67 -2.19 -0.04 0.00 -0.71 0.00 0.00 33.22 30.95 2p5m n MET 99 CO 0.00 0.00 0.00 -2.30 1.51 0.00 0.00 175.97 175.18 2p5m n PRO 100 N -1.78 1.21 -1.00 0.03 -0.02 -1.26 -1.87 135.00 130.30 2p5m n PRO 100 Ca 0.13 0.43 -0.00 0.00 -2.02 0.00 0.00 63.50 62.04 2p5m n PRO 100 Cb 0.49 -1.96 -0.00 0.00 -0.02 0.00 0.00 33.50 32.02 2p5m n PRO 100 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2p5m n GLY 101 N 2.10 0.45 0.55 -1.23 0.00 -0.80 -4.88 105.19 101.37 2p5m n GLY 101 Ca 0.15 -0.05 0.07 0.00 0.00 0.00 0.00 46.02 46.18 2p5m n GLY 101 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2p5m n ASN 102 N -0.02 2.17 -0.07 1.61 3.02 -0.55 -4.62 115.26 116.79 2p5m n ASN 102 Ca -0.00 -1.58 -0.10 0.00 -0.03 0.00 0.00 54.58 52.87 2p5m n ASN 102 Cb 0.06 -0.02 -0.03 0.00 -0.61 0.00 0.00 39.78 39.18 2p5m n ASN 102 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2p5m h ALA 103 N 2.60 0.32 -0.37 5.41 0.00 -1.28 -1.14 119.26 124.80 2p5m h ALA 103 Ca 0.00 -0.10 -0.13 0.00 0.00 0.00 0.00 54.91 54.67 2p5m h ALA 103 Cb 0.57 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 2p5m h ALA 103 CO 0.00 -0.10 -0.30 1.96 0.00 0.00 0.00 179.25 180.81 2p5m h GLN 104 N 0.26 0.80 -0.24 0.00 1.08 -1.80 0.20 115.11 115.41 2p5m h GLN 104 Ca 0.08 -0.37 0.00 0.00 -1.45 0.00 0.00 58.65 56.91 2p5m h GLN 104 Cb 0.15 -0.01 -0.01 0.00 -0.05 0.00 0.00 27.48 27.56 2p5m h GLN 104 CO -0.01 1.00 0.16 0.00 -0.95 0.00 0.00 178.83 179.03 2p5m h ALA 105 N 0.97 0.30 -0.35 3.87 0.00 -1.80 0.54 119.26 122.80 2p5m h ALA 105 Ca 0.08 -0.02 -0.17 0.00 0.00 0.00 0.00 54.91 54.80 2p5m h ALA 105 Cb 0.84 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.53 2p5m h ALA 105 CO 0.07 -0.22 -0.44 0.82 0.00 0.00 0.00 179.25 179.49 2p5m h ILE 106 N 0.32 1.27 -0.86 0.00 1.08 -1.07 -2.73 117.51 115.52 2p5m h ILE 106 Ca 0.09 -1.62 0.06 0.00 -0.39 0.00 0.00 64.86 63.00 2p5m h ILE 106 Cb -0.03 1.47 -0.06 0.00 -3.07 0.00 0.00 36.82 35.13 2p5m h ILE 106 CO -0.02 0.53 0.54 1.23 -0.69 0.00 0.00 178.15 179.74 2p5m h GLY 107 N 0.78 1.28 0.97 5.37 0.00 -0.38 -0.25 103.07 110.85 2p5m h GLY 107 Ca 0.05 -0.39 -0.03 0.00 0.00 0.00 0.00 47.33 46.95 2p5m h GLY 107 CO 0.10 0.28 0.19 0.00 0.00 0.00 0.00 176.54 177.11 2p5m h ALA 108 N 1.39 0.65 -0.69 3.60 0.00 -0.78 0.14 119.26 123.57 2p5m h ALA 108 Ca 0.37 -0.16 -0.06 0.00 0.00 0.00 0.00 54.91 55.05 2p5m h ALA 108 Cb 0.14 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.70 2p5m h ALA 108 CO -0.16 0.27 0.18 -0.07 0.00 0.00 0.00 179.25 179.47 2p5m h LEU 109 N 0.67 1.03 -0.37 0.00 3.38 -1.13 -1.38 115.31 117.51 2p5m h LEU 109 Ca 0.16 -0.21 -0.05 0.00 0.09 0.00 0.00 57.88 57.87 2p5m h LEU 109 Cb 0.22 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.68 2p5m h LEU 109 CO -0.01 0.98 0.03 0.24 0.09 0.00 0.00 178.44 179.76 2p5m h MET 110 N 1.04 0.63 -0.14 1.13 2.86 -0.63 -2.62 114.93 117.20 2p5m h MET 110 Ca 0.22 -0.19 -0.02 0.00 -2.06 0.00 0.00 59.70 57.65 2p5m h MET 110 Cb 0.35 -0.06 -0.01 0.00 0.06 0.00 0.00 31.60 31.93 2p5m h MET 110 CO -0.00 0.72 -0.02 -0.44 1.06 0.00 0.00 176.91 178.23 2p5m h ASP 111 N 0.46 0.18 0.56 1.22 3.45 -0.54 -1.53 116.42 120.20 2p5m h ASP 111 Ca 0.11 -0.02 0.00 0.00 0.43 0.00 0.00 57.03 57.55 2p5m h ASP 111 Cb 0.42 -0.05 0.00 0.00 -0.56 0.00 0.00 39.33 39.14 2p5m h ASP 111 CO 0.01 0.23 0.00 0.59 -1.57 0.00 0.00 179.24 178.50 2p5m n ASN 112 N -4.40 0.00 0.16 6.45 3.02 -0.54 -3.03 115.26 116.92 2p5m n ASN 112 Ca -0.01 0.09 0.05 0.00 -0.03 0.00 0.00 54.58 54.68 2p5m n ASN 112 Cb 0.17 -0.34 0.12 0.00 -0.61 0.00 0.00 39.78 39.11 2p5m n ASN 112 CO 0.00 0.00 0.00 -0.07 -2.62 0.00 0.00 177.26 174.57 2p5m h LEU 113 N 0.00 0.00 1.35 3.41 3.38 -1.04 -3.47 115.31 118.94 2p5m h LEU 113 Ca 0.00 0.00 -0.37 0.00 0.09 0.00 0.00 57.88 57.60 2p5m h LEU 113 Cb 0.28 0.00 0.04 0.00 0.09 0.00 0.00 40.66 41.06 2p5m h LEU 113 CO 0.00 0.40 -0.53 -0.67 0.09 0.00 0.00 178.44 177.73 2p5m n ASP 114 N -3.25 -5.65 -4.63 -0.43 2.03 -1.17 -4.94 116.55 98.51 2p5m n ASP 114 Ca 0.02 -0.19 -0.43 0.00 0.52 0.00 0.00 54.79 54.71 2p5m n ASP 114 Cb 0.66 -4.53 -0.02 0.00 -0.72 0.00 0.00 41.12 36.50 2p5m n ASP 114 CO 0.00 0.00 0.00 0.26 -1.92 0.00 0.00 177.20 175.54 2p5m s TRP 115 N -3.07 2.48 0.43 -0.67 0.51 -1.26 -4.88 118.94 112.47 2p5m s TRP 115 Ca 0.20 0.75 0.11 0.00 -2.12 0.00 0.00 56.10 55.04 2p5m s TRP 115 Cb -0.09 -3.93 0.93 0.00 -0.81 0.00 0.00 33.47 29.57 2p5m s TRP 115 CO 0.25 -2.15 2.00 -0.44 -0.51 0.00 0.00 176.95 176.10 2p5m h ASP 116 N 9.77 0.21 0.03 2.95 3.32 -2.01 -0.77 116.42 129.92 2p5m h ASP 116 Ca -0.29 -0.03 0.00 0.00 0.02 0.00 0.00 57.03 56.74 2p5m h ASP 116 Cb 1.12 -0.05 0.00 0.00 0.22 0.00 0.00 39.33 40.61 2p5m h ASP 116 CO 1.02 0.27 0.00 -0.33 -1.72 0.00 0.00 179.24 178.48 2p5m h GLU 117 N 0.23 0.00 -5.78 3.56 3.07 -1.94 -3.36 114.58 110.36 2p5m h GLU 117 Ca 0.05 0.00 -0.63 0.00 -0.50 0.00 0.00 59.36 58.29 2p5m h GLU 117 Cb 0.19 0.00 -0.13 0.00 -0.84 0.00 0.00 28.75 27.97 2p5m h GLU 117 CO 0.01 0.00 0.37 1.41 -1.40 0.00 0.00 179.01 179.39 2p5m s MET 118 N -3.79 3.39 0.18 2.33 1.75 -0.30 -4.35 119.30 118.52 2p5m s MET 118 Ca -0.03 -0.13 -0.10 0.00 -1.25 0.00 0.00 55.69 54.18 2p5m s MET 118 Cb 0.09 -3.95 0.08 0.00 2.84 0.00 0.00 34.83 33.89 2p5m s MET 118 CO 0.29 -1.15 1.68 0.52 -0.65 0.00 0.00 175.02 175.72 2p5m h MET 119 N 9.00 1.03 -1.01 4.11 2.86 -0.84 -3.47 114.93 126.62 2p5m h MET 119 Ca -0.25 -0.27 0.38 0.00 -2.06 0.00 0.00 59.70 57.50 2p5m h MET 119 Cb 1.08 -0.13 -0.17 0.00 0.06 0.00 0.00 31.60 32.45 2p5m h MET 119 CO 0.97 0.95 1.00 0.20 1.06 0.00 0.00 176.91 181.09 2p5m s GLY 120 N -3.41 -0.38 0.00 8.32 0.00 -0.94 -4.98 107.32 105.92 2p5m s GLY 120 Ca -0.12 1.36 0.05 0.00 0.00 0.00 0.00 44.72 46.01 2p5m s GLY 120 CO 0.84 0.36 -0.16 -0.51 0.00 0.00 0.00 173.10 173.63 2p5m s THR 121 N -2.01 1.25 -0.10 0.90 -4.23 -1.26 -0.47 115.64 109.73 2p5m s THR 121 Ca 0.14 -0.78 0.01 0.00 -1.18 0.00 0.00 61.69 59.88 2p5m s THR 121 Cb 0.04 -1.06 0.02 0.00 1.34 0.00 0.00 72.50 72.84 2p5m s THR 121 CO -0.05 0.27 -0.12 -0.63 -0.54 0.00 0.00 174.62 173.55 2p5m s ILE 122 N -0.49 1.27 -0.05 2.99 1.09 -0.25 -4.99 121.20 120.76 2p5m s ILE 122 Ca 0.05 -0.51 0.05 0.00 -1.10 0.00 0.00 60.65 59.14 2p5m s ILE 122 Cb -0.07 -1.19 -0.02 0.00 -1.06 0.00 0.00 42.46 40.12 2p5m s ILE 122 CO -0.00 0.40 -0.19 0.00 -0.10 0.00 0.00 174.94 175.05 2p5m n GLY 124 N 2.56 0.44 0.14 0.00 0.00 0.64 -4.87 105.19 104.10 2p5m n GLY 124 Ca -0.17 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.70 2p5m n GLY 124 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2p5m n ASP 125 N 0.00 2.30 0.00 1.61 -0.08 -1.26 -4.31 116.55 114.81 2p5m n ASP 125 Ca 0.00 -0.05 0.00 0.00 -1.51 0.00 0.00 54.79 53.23 2p5m n ASP 125 Cb 0.00 -0.36 0.00 0.00 2.34 0.00 0.00 41.12 43.10 2p5m n ASP 125 CO 0.00 0.00 0.00 -0.90 0.12 0.00 0.00 177.20 176.42 2p5m n ASP 126 N -3.22 0.47 -4.02 1.67 5.68 -1.26 -1.02 116.55 114.85 2p5m n ASP 126 Ca -0.37 -1.20 -0.21 0.00 -0.50 0.00 0.00 54.79 52.52 2p5m n ASP 126 Cb 0.87 0.00 -0.15 0.00 -1.14 0.00 0.00 41.12 40.69 2p5m n ASP 126 CO 0.00 0.00 0.00 -0.89 -1.33 0.00 0.00 177.20 174.98 2p5m s THR 127 N -0.20 0.83 -0.08 2.12 2.01 -1.26 0.13 115.64 119.19 2p5m s THR 127 Ca 0.00 -0.40 0.04 0.00 0.31 0.00 0.00 61.69 61.65 2p5m s THR 127 Cb 0.00 -0.73 -0.00 0.00 0.01 0.00 0.00 72.50 71.78 2p5m s THR 127 CO 0.00 0.25 -0.23 -0.63 -0.69 0.00 0.00 174.62 173.33 2p5m s ILE 128 N 0.12 1.93 -0.23 1.82 1.01 0.10 -0.26 121.20 125.69 2p5m s ILE 128 Ca -0.02 -0.96 -0.08 0.00 0.00 0.00 0.00 60.65 59.59 2p5m s ILE 128 Cb -0.08 -1.67 -0.04 0.00 0.01 0.00 0.00 42.46 40.69 2p5m s ILE 128 CO 0.00 0.53 0.09 -0.22 0.00 0.00 0.00 174.94 175.34 2p5m s LEU 129 N 0.25 3.69 -0.24 2.97 2.96 0.36 -0.43 118.68 128.25 2p5m s LEU 129 Ca -0.15 -0.05 -0.06 0.00 -0.22 0.00 0.00 54.13 53.65 2p5m s LEU 129 Cb -0.17 -1.97 -0.02 0.00 0.50 0.00 0.00 46.19 44.53 2p5m s LEU 129 CO 0.07 0.05 0.04 -0.63 -1.32 0.00 0.00 176.35 174.56 2p5m s ILE 130 N 1.10 4.12 -0.17 6.68 1.01 0.20 -1.09 121.20 133.05 2p5m s ILE 130 Ca 0.05 -0.24 -0.10 0.00 0.00 0.00 0.00 60.65 60.36 2p5m s ILE 130 Cb -0.14 -2.91 -0.05 0.00 0.01 0.00 0.00 42.46 39.37 2p5m s ILE 130 CO 0.04 0.37 0.17 -0.63 0.00 0.00 0.00 174.94 174.88 2p5m s ILE 131 N 1.48 5.40 0.34 2.92 1.09 0.38 -0.40 121.20 132.43 2p5m s ILE 131 Ca 0.06 0.28 0.09 0.00 -1.10 0.00 0.00 60.65 59.98 2p5m s ILE 131 Cb -0.15 -3.49 -0.06 0.00 -1.06 0.00 0.00 42.46 37.70 2p5m s ILE 131 CO 0.02 0.48 -0.09 0.00 -0.10 0.00 0.00 174.94 175.25 2p5m h ARG 133 N 2.03 0.22 -4.14 0.00 3.08 -1.82 -3.44 114.38 110.31 2p5m h ARG 133 Ca -0.42 -0.18 -0.13 0.00 0.07 0.00 0.00 59.98 59.32 2p5m h ARG 133 Cb 1.25 0.04 -0.16 0.00 0.08 0.00 0.00 29.97 31.18 2p5m h ARG 133 CO 0.71 0.84 -0.66 0.95 -1.07 0.00 0.00 179.97 180.74 2p5m s THR 134 N -3.55 0.19 0.33 2.04 -4.23 -1.26 -5.01 115.64 104.15 2p5m s THR 134 Ca -0.04 -1.56 0.07 0.00 -1.18 0.00 0.00 61.69 58.98 2p5m s THR 134 Cb 0.11 -1.23 0.31 0.00 1.34 0.00 0.00 72.50 73.03 2p5m s THR 134 CO 0.81 -0.86 1.85 -0.65 -0.54 0.00 0.00 174.62 175.22 2p5m h PRO 135 N 3.44 0.75 -0.42 3.99 0.11 -1.89 -0.36 132.00 137.61 2p5m h PRO 135 Ca -0.34 -0.04 -0.03 0.00 0.11 0.00 0.00 66.00 65.70 2p5m h PRO 135 Cb 1.16 -0.17 -0.02 0.00 0.11 0.00 0.00 31.00 32.08 2p5m h PRO 135 CO 0.60 0.49 0.13 0.93 -0.21 0.00 0.00 178.00 179.94 2p5m h GLU 136 N 0.77 0.65 -0.87 1.05 3.07 -1.96 -1.48 114.58 115.81 2p5m h GLU 136 Ca 0.48 -0.14 -0.02 0.00 -0.50 0.00 0.00 59.36 59.18 2p5m h GLU 136 Cb 0.71 -0.09 -0.04 0.00 -0.84 0.00 0.00 28.75 28.48 2p5m h GLU 136 CO -0.25 0.64 0.48 -0.44 -1.40 0.00 0.00 179.01 178.04 2p5m h ASP 137 N 0.54 1.09 -0.42 1.42 3.45 -1.79 -1.99 116.42 118.72 2p5m h ASP 137 Ca 0.14 -0.09 0.00 0.00 0.43 0.00 0.00 57.03 57.50 2p5m h ASP 137 Cb 0.26 -0.28 -0.02 0.00 -0.56 0.00 0.00 39.33 38.73 2p5m h ASP 137 CO -0.00 0.87 0.27 0.74 -1.57 0.00 0.00 179.24 179.54 2p5m h THR 138 N 1.22 1.12 -0.58 0.35 2.02 -0.74 -0.98 112.91 115.33 2p5m h THR 138 Ca 0.31 -0.23 -0.03 0.00 0.77 0.00 0.00 66.41 67.22 2p5m h THR 138 Cb 0.03 0.52 -0.03 0.00 -1.74 0.00 0.00 68.15 66.94 2p5m h THR 138 CO -0.05 0.11 0.23 -0.08 0.37 0.00 0.00 175.52 176.11 2p5m h GLU 139 N 0.56 0.86 -0.58 6.66 4.57 -1.06 0.23 114.58 125.82 2p5m h GLU 139 Ca 0.15 -0.16 -0.02 0.00 -1.18 0.00 0.00 59.36 58.16 2p5m h GLU 139 Cb -0.04 -0.14 -0.03 0.00 -0.16 0.00 0.00 28.75 28.38 2p5m h GLU 139 CO -0.03 0.74 0.28 0.78 -1.18 0.00 0.00 179.01 179.60 2p5m h GLY 140 N 0.79 0.89 0.91 1.92 0.00 -0.96 0.14 103.07 106.76 2p5m h GLY 140 Ca 0.19 -0.44 -0.05 0.00 0.00 0.00 0.00 47.33 47.03 2p5m h GLY 140 CO -0.02 0.42 -0.00 -2.08 0.00 0.00 0.00 176.54 174.86 2p5m h VAL 141 N 0.79 1.26 -0.50 4.60 2.07 -1.04 -1.95 116.25 121.47 2p5m h VAL 141 Ca 0.20 -0.97 0.04 0.00 0.82 0.00 0.00 66.70 66.79 2p5m h VAL 141 Cb 0.12 1.23 -0.04 0.00 -1.52 0.00 0.00 31.29 31.07 2p5m h VAL 141 CO -0.03 0.32 0.25 0.50 0.02 0.00 0.00 177.57 178.64 2p5m h LYS 142 N 0.40 0.48 -0.85 1.57 3.64 -0.63 -1.16 116.57 120.02 2p5m h LYS 142 Ca 0.09 -0.03 0.03 0.00 -1.27 0.00 0.00 60.65 59.48 2p5m h LYS 142 Cb 0.45 -0.11 -0.05 0.00 -0.41 0.00 0.00 32.23 32.12 2p5m h LYS 142 CO 0.02 0.32 0.55 -0.91 -2.27 0.00 0.00 179.45 177.16 2p5m h ASN 143 N 0.50 0.92 -0.86 4.20 2.35 -0.65 0.12 115.58 122.15 2p5m h ASN 143 Ca 0.22 -0.01 -0.02 0.00 -0.55 0.00 0.00 56.30 55.94 2p5m h ASN 143 Cb 0.13 -0.21 -0.04 0.00 0.05 0.00 0.00 38.32 38.25 2p5m h ASN 143 CO -0.15 0.64 0.46 0.03 -1.65 0.00 0.00 177.43 176.76 2p5m h ARG 144 N 1.08 1.20 -0.24 0.81 3.08 -0.73 -1.58 114.38 117.99 2p5m h ARG 144 Ca 0.34 -0.14 -0.09 0.00 0.07 0.00 0.00 59.98 60.15 2p5m h ARG 144 Cb -0.01 -0.23 -0.00 0.00 0.08 0.00 0.00 29.97 29.81 2p5m h ARG 144 CO -0.11 0.88 -0.21 -0.07 -1.07 0.00 0.00 179.97 179.39 2p5m h LEU 145 N 1.20 0.61 -1.01 3.04 3.38 -0.58 -3.18 115.31 118.77 2p5m h LEU 145 Ca 0.30 -0.46 0.11 0.00 0.09 0.00 0.00 57.88 57.92 2p5m h LEU 145 Cb 0.04 -0.17 -0.08 0.00 0.09 0.00 0.00 40.66 40.54 2p5m h LEU 145 CO -0.05 0.94 0.64 -0.07 0.09 0.00 0.00 178.44 179.99 2p5m h LEU 146 N 0.28 0.95 -2.03 1.67 3.38 -0.63 -0.28 115.31 118.65 2p5m h LEU 146 Ca 0.04 0.04 0.13 0.00 0.09 0.00 0.00 57.88 58.18 2p5m h LEU 146 Cb 0.75 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 41.33 2p5m h LEU 146 CO 0.05 0.52 0.38 -0.33 0.09 0.00 0.00 178.44 179.15 2p5m h GLU 147 N 1.03 0.00 0.00 1.13 5.08 -1.26 -0.80 114.58 119.76 2p5m h GLU 147 Ca 0.49 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.85 2p5m h GLU 147 Cb 0.43 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.68 2p5m h GLU 147 CO -0.25 0.00 -0.13 -0.07 -1.00 0.00 0.00 179.01 177.57 2p5m h LEU 148 N 0.00 0.00 -0.74 1.33 3.38 -1.12 -3.52 115.31 114.64 2p5m h LEU 148 Ca 0.21 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.17 2p5m h LEU 148 Cb 0.97 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.72 2p5m h LEU 148 CO -0.00 0.01 0.00 0.18 0.09 0.00 0.00 178.44 178.71