#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ry9 s SER 2 N 0.00 0.04 0.00 7.83 0.15 -1.26 -4.92 113.70 115.54 1ry9 s SER 2 Ca 0.00 -0.60 0.19 0.00 0.70 0.00 0.00 55.95 56.24 1ry9 s SER 2 Cb 0.00 0.37 0.54 0.00 -1.71 0.00 0.00 66.02 65.23 1ry9 s SER 2 CO 0.00 -0.77 1.44 -0.46 1.20 0.00 0.00 173.24 174.65 1ry9 n ASN 3 N -0.11 2.51 -0.23 5.45 0.23 0.15 -4.58 115.26 118.68 1ry9 n ASN 3 Ca -0.15 -1.90 0.03 0.00 -0.53 0.00 0.00 54.58 52.04 1ry9 n ASN 3 Cb 0.63 -0.23 0.15 0.00 -2.08 0.00 0.00 39.78 38.25 1ry9 n ASN 3 CO 0.00 0.00 0.00 0.40 -0.93 0.00 0.00 177.26 176.73 1ry9 h ILE 4 N 3.07 0.63 -0.16 1.53 2.04 -1.97 0.17 117.51 122.83 1ry9 h ILE 4 Ca 0.00 -0.12 -0.13 0.00 1.00 0.00 0.00 64.86 65.61 1ry9 h ILE 4 Cb 0.69 0.25 -0.01 0.00 -0.74 0.00 0.00 36.82 37.01 1ry9 h ILE 4 CO 0.00 0.06 -0.47 0.78 0.00 0.00 0.00 178.15 178.53 1ry9 h ASN 5 N 0.34 0.43 -0.39 1.72 2.35 -2.00 -1.78 115.58 116.25 1ry9 h ASN 5 Ca 0.38 -0.20 -0.15 0.00 -0.55 0.00 0.00 56.30 55.78 1ry9 h ASN 5 Cb 0.58 -0.12 -0.01 0.00 0.05 0.00 0.00 38.32 38.82 1ry9 h ASN 5 CO -0.42 0.83 -0.33 0.25 -1.65 0.00 0.00 177.43 176.11 1ry9 h LEU 6 N 0.32 0.97 -0.48 1.61 5.85 -1.63 -1.13 115.31 120.82 1ry9 h LEU 6 Ca 0.02 -0.45 0.00 0.00 0.84 0.00 0.00 57.88 58.29 1ry9 h LEU 6 Cb 0.94 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 41.68 1ry9 h LEU 6 CO 0.08 1.22 0.31 0.58 -0.34 0.00 0.00 178.44 180.29 1ry9 h VAL 7 N 0.73 1.14 -0.41 1.05 2.07 -0.86 -1.40 116.25 118.56 1ry9 h VAL 7 Ca 0.07 -0.27 -0.07 0.00 0.82 0.00 0.00 66.70 67.24 1ry9 h VAL 7 Cb 0.92 0.45 -0.02 0.00 -1.52 0.00 0.00 31.29 31.12 1ry9 h VAL 7 CO 0.09 0.13 -0.04 -0.61 0.02 0.00 0.00 177.57 177.16 1ry9 h GLN 8 N 0.65 0.69 -0.28 1.57 5.75 -1.19 -0.84 115.11 121.46 1ry9 h GLN 8 Ca 0.18 -0.19 -0.02 0.00 -0.15 0.00 0.00 58.65 58.47 1ry9 h GLN 8 Cb -0.05 -0.08 -0.01 0.00 1.07 0.00 0.00 27.48 28.41 1ry9 h GLN 8 CO -0.04 0.73 0.12 1.25 -2.65 0.00 0.00 178.83 178.24 1ry9 h LEU 9 N 0.64 0.38 -0.50 -2.39 5.85 -0.74 -0.12 115.31 118.42 1ry9 h LEU 9 Ca 0.12 -0.16 -0.05 0.00 0.84 0.00 0.00 57.88 58.63 1ry9 h LEU 9 Cb 0.45 -0.10 -0.02 0.00 0.37 0.00 0.00 40.66 41.36 1ry9 h LEU 9 CO 0.02 0.44 0.11 0.58 -0.34 0.00 0.00 178.44 179.25 1ry9 h VAL 10 N 0.31 1.24 0.05 1.05 2.07 -1.01 -0.91 116.25 119.04 1ry9 h VAL 10 Ca 0.09 -0.88 0.00 0.00 0.82 0.00 0.00 66.70 66.74 1ry9 h VAL 10 Cb 0.17 0.85 -0.01 0.00 -1.52 0.00 0.00 31.29 30.78 1ry9 h VAL 10 CO -0.01 0.32 -0.06 0.03 0.02 0.00 0.00 177.57 177.87 1ry9 h ARG 11 N 0.70 -0.12 -0.89 1.57 3.08 -0.99 -1.72 114.38 116.01 1ry9 h ARG 11 Ca 0.16 0.01 0.06 0.00 0.07 0.00 0.00 59.98 60.27 1ry9 h ARG 11 Cb 0.36 0.03 -0.06 0.00 0.08 0.00 0.00 29.97 30.37 1ry9 h ARG 11 CO 0.00 -0.08 0.56 -0.44 -1.07 0.00 0.00 179.97 178.95 1ry9 h ASP 12 N -0.12 0.89 -0.59 7.04 3.45 -0.81 -2.08 116.42 124.19 1ry9 h ASP 12 Ca 0.01 0.01 -0.05 0.00 0.43 0.00 0.00 57.03 57.43 1ry9 h ASP 12 Cb 0.12 -0.18 -0.03 0.00 -0.56 0.00 0.00 39.33 38.69 1ry9 h ASP 12 CO -0.02 0.57 0.21 0.28 -1.57 0.00 0.00 179.24 178.71 1ry9 h SER 13 N 1.03 0.87 0.46 6.45 0.02 -0.78 -2.67 113.55 118.92 1ry9 h SER 13 Ca 0.38 -0.14 -0.07 0.00 -0.84 0.00 0.00 61.79 61.12 1ry9 h SER 13 Cb 0.15 -0.23 -0.01 0.00 0.14 0.00 0.00 62.40 62.45 1ry9 h SER 13 CO -0.17 0.81 -0.34 -0.07 -1.14 0.00 0.00 176.83 175.93 1ry9 h LEU 14 N 0.92 0.00 -0.81 5.07 4.07 -0.62 -1.63 115.31 122.31 1ry9 h LEU 14 Ca 0.21 0.00 -0.07 0.00 0.08 0.00 0.00 57.88 58.10 1ry9 h LEU 14 Cb 0.24 0.00 -0.03 0.00 1.08 0.00 0.00 40.66 41.96 1ry9 h LEU 14 CO -0.01 0.34 0.14 -0.26 -1.08 0.00 0.00 178.44 177.57 1ry9 h PHE 15 N 0.00 1.08 -0.32 1.13 -1.00 -1.17 -0.59 116.94 116.07 1ry9 h PHE 15 Ca -0.00 -0.13 -0.15 0.00 2.81 0.00 0.00 57.97 60.50 1ry9 h PHE 15 Cb 0.66 -0.31 -0.01 0.00 3.61 0.00 0.00 35.95 39.91 1ry9 h PHE 15 CO 0.00 0.89 -0.39 1.15 -1.61 0.00 0.00 178.31 178.35 1ry9 h THR 16 N 0.98 1.29 -0.03 -1.55 2.02 -1.32 -3.12 112.91 111.18 1ry9 h THR 16 Ca 0.20 -1.57 -0.17 0.00 0.77 0.00 0.00 66.41 65.65 1ry9 h THR 16 Cb 0.37 1.46 -0.01 0.00 -1.74 0.00 0.00 68.15 68.23 1ry9 h THR 16 CO 0.00 0.51 -0.74 0.40 0.37 0.00 0.00 175.52 176.06 1ry9 h ILE 17 N 0.62 1.45 0.00 3.11 2.04 -1.16 -3.48 117.51 120.10 1ry9 h ILE 17 Ca 0.05 -2.34 0.00 0.00 1.00 0.00 0.00 64.86 63.57 1ry9 h ILE 17 Cb 0.94 2.26 0.00 0.00 -0.74 0.00 0.00 36.82 39.28 1ry9 h ILE 17 CO 0.09 0.68 0.00 0.61 0.00 0.00 0.00 178.15 179.53 1ry9 n GLY 18 N 0.58 1.21 3.94 5.37 0.00 -0.32 -5.10 105.19 110.87 1ry9 n GLY 18 Ca -0.03 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.74 1ry9 n GLY 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ry9 s PRO 20 N -3.54 3.74 0.00 0.00 0.04 -1.26 -4.27 135.00 129.70 1ry9 s PRO 20 Ca 0.37 0.60 0.02 0.00 0.04 0.00 0.00 61.00 62.03 1ry9 s PRO 20 Cb -0.10 -2.26 0.14 0.00 0.04 0.00 0.00 34.50 32.31 1ry9 s PRO 20 CO 0.30 -0.24 0.98 -2.30 0.04 0.00 0.00 177.00 175.78 1ry9 n PRO 21 N -1.86 0.89 0.22 0.56 -0.02 -1.26 -3.46 135.00 130.07 1ry9 n PRO 21 Ca 0.04 0.00 0.14 0.00 -2.02 0.00 0.00 63.50 61.66 1ry9 n PRO 21 Cb 0.54 -1.04 0.36 0.00 -0.02 0.00 0.00 33.50 33.35 1ry9 n PRO 21 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 1ry9 h SER 22 N 0.00 0.00 0.61 2.55 4.64 -2.03 -3.07 113.55 116.25 1ry9 h SER 22 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1ry9 h SER 22 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 1ry9 h SER 22 CO 0.00 0.00 -0.25 2.30 -0.87 0.00 0.00 176.83 178.01 1ry9 n ILE 23 N -2.96 0.00 -3.38 0.95 -5.35 -1.22 -4.83 119.36 102.56 1ry9 n ILE 23 Ca 0.03 -0.02 -0.37 0.00 -0.27 0.00 0.00 62.75 62.12 1ry9 n ILE 23 Cb 0.44 -0.05 -0.06 0.00 -1.74 0.00 0.00 39.64 38.22 1ry9 n ILE 23 CO 0.00 0.00 0.00 -0.63 -1.76 0.00 0.00 176.55 174.16 1ry9 s ILE 24 N -2.86 5.23 0.10 7.28 1.01 -1.16 -1.91 121.20 128.88 1ry9 s ILE 24 Ca 0.16 0.82 -0.01 0.00 0.00 0.00 0.00 60.65 61.62 1ry9 s ILE 24 Cb 0.19 -3.76 -0.04 0.00 0.01 0.00 0.00 42.46 38.86 1ry9 s ILE 24 CO 0.59 0.34 0.04 0.42 0.00 0.00 0.00 174.94 176.33 1ry9 s THR 25 N 0.61 0.14 0.19 2.92 -4.23 -0.11 -4.98 115.64 110.19 1ry9 s THR 25 Ca 0.23 -1.84 -0.19 0.00 -1.18 0.00 0.00 61.69 58.71 1ry9 s THR 25 Cb -0.14 -1.84 0.04 0.00 1.34 0.00 0.00 72.50 71.89 1ry9 s THR 25 CO 0.08 -0.65 0.54 1.51 -0.54 0.00 0.00 174.62 175.56 1ry9 s ASP 26 N -3.00 -0.31 -0.13 3.99 3.84 -1.26 -0.70 116.67 119.10 1ry9 s ASP 26 Ca 0.18 -0.39 -0.23 0.00 -0.00 0.00 0.00 52.55 52.11 1ry9 s ASP 26 Cb 0.07 0.58 -0.26 0.00 -1.38 0.00 0.00 42.92 41.94 1ry9 s ASP 26 CO -0.03 -1.04 0.60 -0.07 -0.00 0.00 0.00 175.17 174.64 1ry9 h LEU 27 N 2.17 0.18 0.00 2.11 4.07 -1.91 -3.50 115.31 118.43 1ry9 h LEU 27 Ca -0.30 -0.84 0.00 0.00 0.08 0.00 0.00 57.88 56.83 1ry9 h LEU 27 Cb 1.27 -0.06 0.00 0.00 1.08 0.00 0.00 40.66 42.95 1ry9 h LEU 27 CO 0.37 1.34 0.00 -0.90 -1.08 0.00 0.00 178.44 178.18 1ry9 n ASP 28 N -4.30 0.00 0.00 -0.43 5.68 -1.26 -5.03 116.55 111.20 1ry9 n ASP 28 Ca -0.20 -0.90 0.09 0.00 -0.50 0.00 0.00 54.79 53.29 1ry9 n ASP 28 Cb 0.70 0.00 0.56 0.00 -1.14 0.00 0.00 41.12 41.23 1ry9 n ASP 28 CO 0.00 0.00 0.00 -1.54 -1.33 0.00 0.00 177.20 174.33 1ry9 n SER 29 N -0.92 0.00 0.00 -1.12 3.41 -1.26 -3.07 113.62 110.66 1ry9 n SER 29 Ca 0.00 -0.78 0.00 0.00 -0.26 0.00 0.00 58.87 57.83 1ry9 n SER 29 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 1ry9 n SER 29 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 1ry9 n HIS 30 N -0.93 0.00 -2.76 7.33 8.25 -1.26 -0.68 115.22 125.17 1ry9 n HIS 30 Ca 0.14 -0.14 -0.20 0.00 -0.26 0.00 0.00 57.72 57.26 1ry9 n HIS 30 Cb 0.06 -0.01 0.04 0.00 1.12 0.00 0.00 29.99 31.20 1ry9 n HIS 30 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 1ry9 s SER 31 N -0.28 5.20 0.65 0.41 1.04 -1.18 -4.91 113.70 114.64 1ry9 s SER 31 Ca 0.00 -0.25 -0.14 0.00 0.48 0.00 0.00 55.95 56.04 1ry9 s SER 31 Cb 0.00 -0.57 -0.00 0.00 0.10 0.00 0.00 66.02 65.55 1ry9 s SER 31 CO 0.00 -1.18 1.09 0.00 0.98 0.00 0.00 173.24 174.12 1ry9 s ALA 32 N -2.71 2.55 -0.04 5.32 0.00 -1.26 -4.89 121.76 120.72 1ry9 s ALA 32 Ca 0.59 0.43 -0.04 0.00 0.00 0.00 0.00 51.96 52.94 1ry9 s ALA 32 Cb -0.09 -3.27 -0.04 0.00 0.00 0.00 0.00 23.12 19.72 1ry9 s ALA 32 CO 0.38 -1.18 0.16 0.42 0.00 0.00 0.00 175.76 175.55 1ry9 s ILE 33 N -2.50 5.42 -0.06 0.00 1.01 0.17 -4.33 121.20 120.92 1ry9 s ILE 33 Ca 0.64 -0.06 0.05 0.00 0.00 0.00 0.00 60.65 61.28 1ry9 s ILE 33 Cb -0.18 -3.48 -0.00 0.00 0.01 0.00 0.00 42.46 38.81 1ry9 s ILE 33 CO 0.43 0.42 -0.20 -0.89 0.00 0.00 0.00 174.94 174.69 1ry9 s THR 34 N -1.23 1.67 -0.33 2.92 2.01 0.12 -0.95 115.64 119.86 1ry9 s THR 34 Ca 0.23 -0.84 -0.03 0.00 0.31 0.00 0.00 61.69 61.37 1ry9 s THR 34 Cb -0.12 -1.44 0.06 0.00 0.01 0.00 0.00 72.50 71.01 1ry9 s THR 34 CO 0.14 0.47 0.06 -0.63 -0.69 0.00 0.00 174.62 173.97 1ry9 s ILE 35 N 0.07 3.17 0.18 1.82 1.01 0.17 -0.93 121.20 126.69 1ry9 s ILE 35 Ca -0.07 -1.48 -0.30 0.00 0.00 0.00 0.00 60.65 58.80 1ry9 s ILE 35 Cb -0.13 -2.89 -0.08 0.00 0.01 0.00 0.00 42.46 39.37 1ry9 s ILE 35 CO 0.04 -0.24 1.15 -0.44 0.00 0.00 0.00 174.94 175.45 1ry9 s SER 36 N 1.39 7.17 0.05 3.58 0.01 -0.80 -1.73 113.70 123.37 1ry9 s SER 36 Ca -0.02 2.15 0.07 0.00 1.31 0.00 0.00 55.95 59.47 1ry9 s SER 36 Cb -0.20 -2.60 -0.03 0.00 0.21 0.00 0.00 66.02 63.40 1ry9 s SER 36 CO -0.01 -0.30 -0.20 -0.76 0.41 0.00 0.00 173.24 172.38 1ry9 s LEU 37 N -0.26 2.19 -0.05 2.44 1.43 -1.26 -4.93 118.68 118.24 1ry9 s LEU 37 Ca 0.51 -0.55 -0.30 0.00 -1.03 0.00 0.00 54.13 52.77 1ry9 s LEU 37 Cb -0.31 -0.92 -0.03 0.00 0.03 0.00 0.00 46.19 44.96 1ry9 s LEU 37 CO 0.36 0.13 1.18 -1.81 0.23 0.00 0.00 176.35 176.44 1ry9 s ASP 38 N -1.31 7.07 -1.36 2.29 1.11 -1.26 -3.58 116.67 119.63 1ry9 s ASP 38 Ca 0.07 1.80 0.00 0.00 0.18 0.00 0.00 52.55 54.60 1ry9 s ASP 38 Cb -0.09 -2.56 0.00 0.00 1.07 0.00 0.00 42.92 41.34 1ry9 s ASP 38 CO 0.02 -0.56 0.00 -1.20 1.18 0.00 0.00 175.17 174.61 1ry9 n SER 39 N 5.09 -4.89 -3.84 0.27 7.64 -1.26 -4.97 113.62 111.65 1ry9 n SER 39 Ca 0.11 0.32 -0.10 0.00 1.01 0.00 0.00 58.87 60.21 1ry9 n SER 39 Cb 0.46 -3.52 -0.08 0.00 -1.01 0.00 0.00 64.21 60.07 1ry9 n SER 39 CO 0.00 0.00 0.00 -0.04 -3.01 0.00 0.00 175.04 171.99 1ry9 s MET 40 N -3.00 0.78 0.79 1.43 -1.94 -1.23 -5.12 119.30 111.00 1ry9 s MET 40 Ca 0.00 -0.80 -0.13 0.00 -1.71 0.00 0.00 55.69 53.05 1ry9 s MET 40 Cb 0.00 0.32 0.07 0.00 2.01 0.00 0.00 34.83 37.23 1ry9 s MET 40 CO 0.00 -0.24 1.19 -2.14 -0.01 0.00 0.00 175.02 173.82 1ry9 s PRO 41 N -3.27 1.79 0.59 2.03 0.02 -1.26 -4.37 135.00 130.52 1ry9 s PRO 41 Ca 0.00 1.71 -0.16 0.00 0.02 0.00 0.00 61.00 62.57 1ry9 s PRO 41 Cb 0.02 -1.80 -0.04 0.00 0.02 0.00 0.00 34.50 32.71 1ry9 s PRO 41 CO -0.08 -2.09 1.06 0.00 -0.33 0.00 0.00 177.00 175.56 1ry9 s ALA 42 N -2.17 2.72 -0.16 -1.55 0.00 -1.26 -4.59 121.76 114.74 1ry9 s ALA 42 Ca 0.72 0.44 -0.19 0.00 0.00 0.00 0.00 51.96 52.93 1ry9 s ALA 42 Cb -0.28 -3.25 -0.03 0.00 0.00 0.00 0.00 23.12 19.56 1ry9 s ALA 42 CO 0.50 -0.81 0.53 0.42 0.00 0.00 0.00 175.76 176.40 1ry9 s ILE 43 N -2.38 5.12 -0.09 0.00 1.01 -0.70 -4.41 121.20 119.74 1ry9 s ILE 43 Ca 0.65 1.02 -0.02 0.00 0.00 0.00 0.00 60.65 62.29 1ry9 s ILE 43 Cb -0.17 -3.86 -0.03 0.00 0.01 0.00 0.00 42.46 38.41 1ry9 s ILE 43 CO 0.36 0.22 0.01 0.20 0.00 0.00 0.00 174.94 175.73 1ry9 s ASN 44 N 0.96 5.31 -0.05 3.58 -0.87 0.24 -0.66 114.94 123.46 1ry9 s ASN 44 Ca 0.26 0.16 0.00 0.00 -1.57 0.00 0.00 52.86 51.71 1ry9 s ASN 44 Cb -0.16 -1.54 0.02 0.00 -0.02 0.00 0.00 41.25 39.56 1ry9 s ASN 44 CO 0.11 0.37 -0.02 -0.63 -2.57 0.00 0.00 177.10 174.35 1ry9 s ILE 45 N -0.80 0.38 0.13 0.60 1.01 -0.13 -1.12 121.20 121.26 1ry9 s ILE 45 Ca 0.12 0.00 -0.18 0.00 0.00 0.00 0.00 60.65 60.60 1ry9 s ILE 45 Cb -0.11 -0.46 0.04 0.00 0.01 0.00 0.00 42.46 41.94 1ry9 s ILE 45 CO 0.02 0.21 0.44 0.00 0.00 0.00 0.00 174.94 175.61 1ry9 s ALA 46 N 1.21 -1.08 -0.40 9.38 0.00 -0.68 -0.65 121.76 129.54 1ry9 s ALA 46 Ca -0.07 0.08 -0.22 0.00 0.00 0.00 0.00 51.96 51.76 1ry9 s ALA 46 Cb -0.14 0.71 0.02 0.00 0.00 0.00 0.00 23.12 23.71 1ry9 s ALA 46 CO -0.02 -0.66 0.71 -0.51 0.00 0.00 0.00 175.76 175.28 1ry9 s LEU 47 N -2.75 4.28 -0.27 0.00 2.01 -1.26 -0.75 118.68 119.94 1ry9 s LEU 47 Ca 0.02 0.01 0.03 0.00 0.01 0.00 0.00 54.13 54.20 1ry9 s LEU 47 Cb 0.01 -2.87 0.07 0.00 0.01 0.00 0.00 46.19 43.41 1ry9 s LEU 47 CO -0.12 -0.76 -0.08 0.68 1.01 0.00 0.00 176.35 177.09 1ry9 s VAL 48 N 2.98 2.12 -1.13 -1.59 -7.23 0.64 -4.70 120.40 111.48 1ry9 s VAL 48 Ca 0.27 -1.71 -0.02 0.00 -1.81 0.00 0.00 61.98 58.70 1ry9 s VAL 48 Cb -0.13 -2.30 0.00 0.00 0.56 0.00 0.00 36.38 34.51 1ry9 s VAL 48 CO 0.18 -0.13 0.96 0.59 -0.31 0.00 0.00 175.10 176.39 1ry9 n ASN 49 N 4.43 -3.15 -1.17 4.85 5.03 -1.26 -2.45 115.26 121.54 1ry9 n ASN 49 Ca -0.11 -0.54 -0.15 0.00 0.87 0.00 0.00 54.58 54.64 1ry9 n ASN 49 Cb 0.42 -4.68 -0.07 0.00 -1.02 0.00 0.00 39.78 34.43 1ry9 n ASN 49 CO 0.00 0.00 0.00 1.21 -1.83 0.00 0.00 177.26 176.64 1ry9 n GLU 50 N -4.06 -1.53 -5.01 3.52 4.07 -1.26 -4.97 120.64 111.40 1ry9 n GLU 50 Ca -0.19 1.03 -0.27 0.00 -0.06 0.00 0.00 57.16 57.67 1ry9 n GLU 50 Cb 0.63 -5.41 -0.16 0.00 -0.06 0.00 0.00 31.44 26.44 1ry9 n GLU 50 CO 0.00 0.00 0.00 -0.65 -0.06 0.00 0.00 177.13 176.42 1ry9 s GLN 51 N -3.28 1.73 -0.16 5.31 -0.21 -1.02 -4.99 119.66 117.04 1ry9 s GLN 51 Ca 0.00 -0.74 -0.29 0.00 0.02 0.00 0.00 55.36 54.36 1ry9 s GLN 51 Cb 0.00 -1.64 -0.01 0.00 1.00 0.00 0.00 33.01 32.36 1ry9 s GLN 51 CO 0.00 0.42 0.99 0.08 -2.12 0.00 0.00 175.29 174.66 1ry9 s VAL 52 N -0.42 4.76 -0.07 1.09 1.01 -1.26 -0.26 120.40 125.25 1ry9 s VAL 52 Ca 0.06 1.98 0.03 0.00 0.00 0.00 0.00 61.98 64.05 1ry9 s VAL 52 Cb -0.09 -4.29 -0.02 0.00 0.00 0.00 0.00 36.38 31.99 1ry9 s VAL 52 CO -0.00 -0.05 -0.16 -0.32 0.00 0.00 0.00 175.10 174.56 1ry9 s MET 53 N 2.42 2.73 -0.06 2.72 1.75 0.07 -0.68 119.30 128.25 1ry9 s MET 53 Ca 0.45 -0.74 0.04 0.00 -1.25 0.00 0.00 55.69 54.20 1ry9 s MET 53 Cb -0.17 -2.40 -0.02 0.00 2.84 0.00 0.00 34.83 35.09 1ry9 s MET 53 CO 0.13 0.47 -0.19 -0.51 -0.65 0.00 0.00 175.02 174.28 1ry9 s LEU 54 N -0.34 2.46 0.02 4.11 1.02 0.13 -1.68 118.68 124.39 1ry9 s LEU 54 Ca 0.03 -0.34 -0.18 0.00 0.02 0.00 0.00 54.13 53.66 1ry9 s LEU 54 Cb -0.13 -1.49 0.03 0.00 0.02 0.00 0.00 46.19 44.63 1ry9 s LEU 54 CO 0.02 0.28 0.39 -1.66 0.02 0.00 0.00 176.35 175.40 1ry9 s TRP 55 N -0.34 -0.25 -0.02 0.29 -2.14 -0.28 -0.94 118.94 115.26 1ry9 s TRP 55 Ca 0.03 0.28 0.00 0.00 2.66 0.00 0.00 56.10 59.07 1ry9 s TRP 55 Cb -0.12 0.18 0.02 0.00 -3.10 0.00 0.00 33.47 30.45 1ry9 s TRP 55 CO 0.02 -0.51 0.01 0.00 -2.66 0.00 0.00 176.95 173.80 1ry9 s ALA 56 N -2.05 0.24 -0.39 2.67 0.00 0.00 -0.60 121.76 121.64 1ry9 s ALA 56 Ca -0.08 0.18 -0.15 0.00 0.00 0.00 0.00 51.96 51.91 1ry9 s ALA 56 Cb -0.02 -0.27 0.01 0.00 0.00 0.00 0.00 23.12 22.84 1ry9 s ALA 56 CO 0.01 -0.06 0.29 -0.80 0.00 0.00 0.00 175.76 175.19 1ry9 s ASN 57 N 0.90 6.10 -0.01 0.00 0.01 -1.26 -1.14 114.94 119.55 1ry9 s ASN 57 Ca -0.09 -0.77 -0.07 0.00 -0.71 0.00 0.00 52.86 51.23 1ry9 s ASN 57 Cb -0.12 -2.16 -0.05 0.00 0.41 0.00 0.00 41.25 39.34 1ry9 s ASN 57 CO -0.02 -0.40 0.26 -0.36 -1.51 0.00 0.00 177.10 175.07 1ry9 s PHE 58 N 1.71 3.59 0.21 2.20 0.40 -0.33 -4.74 117.98 121.01 1ry9 s PHE 58 Ca 0.06 0.57 -0.32 0.00 -0.60 0.00 0.00 56.93 56.64 1ry9 s PHE 58 Cb -0.19 -1.99 -0.13 0.00 0.51 0.00 0.00 43.02 41.23 1ry9 s PHE 58 CO 0.10 0.63 1.58 -0.25 0.70 0.00 0.00 175.22 177.98 1ry9 n ASP 59 N 1.24 3.36 -4.70 1.36 10.43 -1.26 -0.36 116.55 126.61 1ry9 n ASP 59 Ca -0.12 1.10 -0.42 0.00 2.57 0.00 0.00 54.79 57.92 1ry9 n ASP 59 Cb 0.53 -1.49 -0.03 0.00 1.84 0.00 0.00 41.12 41.97 1ry9 n ASP 59 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 1ry9 s ALA 60 N 0.64 3.71 0.63 2.24 0.00 -0.31 -4.50 121.76 124.17 1ry9 s ALA 60 Ca 0.74 1.26 -0.12 0.00 0.00 0.00 0.00 51.96 53.83 1ry9 s ALA 60 Cb -0.60 -3.66 -0.03 0.00 0.00 0.00 0.00 23.12 18.83 1ry9 s ALA 60 CO 0.40 -0.97 1.04 -1.25 0.00 0.00 0.00 175.76 174.98 1ry9 s PRO 61 N 2.04 3.40 0.86 0.00 0.04 -1.26 -4.96 135.00 135.12 1ry9 s PRO 61 Ca 0.72 0.89 -0.11 0.00 0.04 0.00 0.00 61.00 62.54 1ry9 s PRO 61 Cb -0.41 -2.05 0.11 0.00 0.04 0.00 0.00 34.50 32.19 1ry9 s PRO 61 CO 0.32 -0.73 1.09 -1.54 0.04 0.00 0.00 177.00 176.18 1ry9 s SER 62 N -3.77 3.74 0.23 6.66 1.04 -1.26 -4.84 113.70 115.50 1ry9 s SER 62 Ca 0.57 1.65 -0.07 0.00 0.48 0.00 0.00 55.95 58.58 1ry9 s SER 62 Cb -0.12 -2.32 0.26 0.00 0.10 0.00 0.00 66.02 63.93 1ry9 s SER 62 CO 0.50 -2.50 1.87 0.44 0.98 0.00 0.00 173.24 174.53 1ry9 h ASP 63 N -1.45 0.89 0.13 7.02 5.19 -1.99 -1.94 116.42 124.27 1ry9 h ASP 63 Ca -0.47 -0.00 -0.10 0.00 -0.62 0.00 0.00 57.03 55.84 1ry9 h ASP 63 Cb 1.27 -0.20 -0.01 0.00 0.18 0.00 0.00 39.33 40.56 1ry9 h ASP 63 CO 0.52 0.61 -0.33 -0.37 -3.12 0.00 0.00 179.24 176.56 1ry9 h VAL 64 N 1.05 1.28 -0.51 -1.35 -1.51 -1.99 -0.83 116.25 112.39 1ry9 h VAL 64 Ca 0.34 -1.35 -0.13 0.00 -1.23 0.00 0.00 66.70 64.34 1ry9 h VAL 64 Cb 0.02 1.53 -0.01 0.00 -2.13 0.00 0.00 31.29 30.69 1ry9 h VAL 64 CO -0.12 0.41 -0.17 0.50 -1.23 0.00 0.00 177.57 176.96 1ry9 h LYS 65 N 0.26 1.01 -0.58 5.19 1.63 -1.82 -2.04 116.57 120.22 1ry9 h LYS 65 Ca 0.03 -0.41 -0.04 0.00 -0.85 0.00 0.00 60.65 59.38 1ry9 h LYS 65 Cb 0.71 -0.04 -0.03 0.00 -0.60 0.00 0.00 32.23 32.27 1ry9 h LYS 65 CO 0.05 1.09 0.19 1.25 -3.45 0.00 0.00 179.45 178.59 1ry9 h LEU 66 N 0.87 0.79 -0.40 5.20 5.85 -0.97 -2.13 115.31 124.53 1ry9 h LEU 66 Ca 0.12 -0.12 -0.04 0.00 0.84 0.00 0.00 57.88 58.68 1ry9 h LEU 66 Cb 0.75 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 41.56 1ry9 h LEU 66 CO 0.06 0.74 0.10 -0.61 -0.34 0.00 0.00 178.44 178.39 1ry9 h GLN 67 N 0.84 0.65 0.00 1.25 4.15 -0.79 0.49 115.11 121.69 1ry9 h GLN 67 Ca 0.19 -0.16 -0.00 0.00 0.77 0.00 0.00 58.65 59.45 1ry9 h GLN 67 Cb 0.22 -0.09 -0.00 0.00 0.21 0.00 0.00 27.48 27.83 1ry9 h GLN 67 CO -0.01 0.67 -0.01 0.66 -1.93 0.00 0.00 178.83 178.21 1ry9 h SER 68 N 0.51 0.00 -0.17 -0.69 4.64 -1.15 -3.10 113.55 113.60 1ry9 h SER 68 Ca 0.13 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.45 1ry9 h SER 68 Cb 0.31 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.40 1ry9 h SER 68 CO 0.00 0.01 0.00 -1.20 -0.87 0.00 0.00 176.83 174.77 1ry9 n SER 69 N -3.10 2.37 -0.17 4.97 7.64 -0.82 -4.77 113.62 119.73 1ry9 n SER 69 Ca 0.01 -1.72 -0.03 0.00 1.01 0.00 0.00 58.87 58.15 1ry9 n SER 69 Cb 0.37 -0.11 0.07 0.00 -1.01 0.00 0.00 64.21 63.53 1ry9 n SER 69 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1ry9 h ALA 70 N 1.97 0.66 -0.35 -0.43 0.00 0.05 -0.96 119.26 120.21 1ry9 h ALA 70 Ca 0.00 0.06 0.01 0.00 0.00 0.00 0.00 54.91 54.98 1ry9 h ALA 70 Cb 0.58 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.36 1ry9 h ALA 70 CO 0.00 -0.18 0.21 -0.92 0.00 0.00 0.00 179.25 178.36 1ry9 h TYR 71 N 0.40 0.40 -0.72 0.00 5.03 -1.85 0.97 116.97 121.19 1ry9 h TYR 71 Ca 0.25 0.01 -0.05 0.00 2.58 0.00 0.00 58.73 61.52 1ry9 h TYR 71 Cb 0.25 -0.13 -0.03 0.00 1.55 0.00 0.00 36.73 38.37 1ry9 h TYR 71 CO -0.15 0.24 0.25 -0.91 -1.32 0.00 0.00 178.16 176.27 1ry9 h ASN 72 N 0.43 1.03 -0.32 -2.11 2.35 -1.79 -1.67 115.58 113.50 1ry9 h ASN 72 Ca 0.13 -0.20 -0.16 0.00 -0.55 0.00 0.00 56.30 55.52 1ry9 h ASN 72 Cb -0.01 -0.27 -0.00 0.00 0.05 0.00 0.00 38.32 38.08 1ry9 h ASN 72 CO -0.05 0.95 -0.44 0.40 -1.65 0.00 0.00 177.43 176.64 1ry9 h ILE 73 N 1.05 1.28 -0.36 2.81 2.04 -0.84 -2.09 117.51 121.40 1ry9 h ILE 73 Ca 0.23 -1.62 -0.02 0.00 1.00 0.00 0.00 64.86 64.45 1ry9 h ILE 73 Cb 0.28 1.56 -0.02 0.00 -0.74 0.00 0.00 36.82 37.90 1ry9 h ILE 73 CO -0.01 0.53 0.13 0.25 0.00 0.00 0.00 178.15 179.05 1ry9 h LEU 74 N 0.64 0.51 -1.18 1.44 5.85 -0.71 -0.77 115.31 121.10 1ry9 h LEU 74 Ca 0.03 -0.18 -0.01 0.00 0.84 0.00 0.00 57.88 58.56 1ry9 h LEU 74 Cb 1.04 -0.13 -0.04 0.00 0.37 0.00 0.00 40.66 41.90 1ry9 h LEU 74 CO 0.10 0.56 0.42 0.78 -0.34 0.00 0.00 178.44 179.96 1ry9 h ASN 75 N 0.44 0.87 -0.18 1.25 2.35 -1.25 -0.71 115.58 118.35 1ry9 h ASN 75 Ca 0.12 -0.06 -0.01 0.00 -0.55 0.00 0.00 56.30 55.80 1ry9 h ASN 75 Cb 0.22 -0.22 -0.01 0.00 0.05 0.00 0.00 38.32 38.36 1ry9 h ASN 75 CO -0.01 0.68 0.07 0.25 -1.65 0.00 0.00 177.43 176.77 1ry9 h LEU 76 N 1.00 0.25 -1.64 1.61 5.85 -0.90 -3.08 115.31 118.40 1ry9 h LEU 76 Ca 0.26 -0.17 -0.04 0.00 0.84 0.00 0.00 57.88 58.77 1ry9 h LEU 76 Cb -0.02 -0.06 -0.01 0.00 0.37 0.00 0.00 40.66 40.94 1ry9 h LEU 76 CO -0.05 0.35 -0.18 0.24 -0.34 0.00 0.00 178.44 178.47 1ry9 h MET 77 N 0.12 0.00 -0.00 1.25 2.86 -0.46 -2.39 114.93 116.31 1ry9 h MET 77 Ca 0.06 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.70 1ry9 h MET 77 Cb 0.19 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.85 1ry9 h MET 77 CO -0.00 0.18 -0.13 1.28 1.06 0.00 0.00 176.91 179.29 1ry9 n LEU 78 N -3.64 0.36 -4.70 1.22 4.77 -0.34 -4.65 117.00 110.03 1ry9 n LEU 78 Ca -0.01 0.11 -0.42 0.00 -0.03 0.00 0.00 56.01 55.66 1ry9 n LEU 78 Cb 0.31 -0.25 -0.03 0.00 -2.33 0.00 0.00 43.42 41.12 1ry9 n LEU 78 CO 0.32 0.07 1.02 -0.04 -1.33 0.00 0.00 177.39 177.43 1ry9 s MET 79 N -2.63 4.34 0.54 3.23 -1.94 -0.90 -4.99 119.30 116.95 1ry9 s MET 79 Ca 0.24 1.90 -0.21 0.00 -1.71 0.00 0.00 55.69 55.91 1ry9 s MET 79 Cb 0.20 -3.44 -0.05 0.00 2.01 0.00 0.00 34.83 33.55 1ry9 s MET 79 CO 0.51 -0.44 1.22 -0.80 -0.01 0.00 0.00 175.02 175.50 1ry9 s ASN 80 N 1.43 5.54 -0.26 3.03 0.01 -1.26 -4.56 114.94 118.87 1ry9 s ASN 80 Ca 0.62 2.42 -0.01 0.00 -0.71 0.00 0.00 52.86 55.17 1ry9 s ASN 80 Cb -0.31 -2.61 0.08 0.00 0.41 0.00 0.00 41.25 38.82 1ry9 s ASN 80 CO 0.27 -1.36 0.06 0.12 -1.51 0.00 0.00 177.10 174.69 1ry9 s PHE 81 N -1.53 1.51 0.57 2.20 5.36 0.11 -4.97 117.98 121.22 1ry9 s PHE 81 Ca 0.72 -1.41 0.29 0.00 -0.96 0.00 0.00 56.93 55.56 1ry9 s PHE 81 Cb -0.31 -1.44 1.76 0.00 -0.34 0.00 0.00 43.02 42.68 1ry9 s PHE 81 CO 0.36 -0.77 2.23 0.77 -1.46 0.00 0.00 175.22 176.35 1ry9 h SER 82 N 8.14 0.00 0.45 6.13 0.02 -1.95 -2.86 113.55 123.47 1ry9 h SER 82 Ca -0.15 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.80 1ry9 h SER 82 Cb 1.06 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.60 1ry9 h SER 82 CO 0.42 0.02 -0.49 -1.22 -1.14 0.00 0.00 176.83 174.42 1ry9 n TYR 83 N -3.85 0.00 -2.72 3.45 4.02 -1.26 -4.88 117.16 111.91 1ry9 n TYR 83 Ca -0.03 0.00 -0.34 0.00 -0.01 0.00 0.00 57.90 57.52 1ry9 n TYR 83 Cb 0.10 -0.22 -0.06 0.00 -0.02 0.00 0.00 39.34 39.14 1ry9 n TYR 83 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 176.86 176.30 1ry9 s SER 84 N -2.94 6.80 0.60 7.72 0.15 -1.08 -1.43 113.70 123.52 1ry9 s SER 84 Ca 0.13 1.79 0.38 0.00 0.70 0.00 0.00 55.95 58.95 1ry9 s SER 84 Cb 0.18 -2.55 1.80 0.00 -1.71 0.00 0.00 66.02 63.74 1ry9 s SER 84 CO 0.68 -0.46 2.15 0.16 1.20 0.00 0.00 173.24 176.97 1ry9 h ILE 85 N 1.89 0.04 0.00 6.45 3.07 -1.40 -2.69 117.51 124.87 1ry9 h ILE 85 Ca -0.49 -0.31 0.00 0.00 1.55 0.00 0.00 64.86 65.61 1ry9 h ILE 85 Cb 1.19 1.30 0.00 0.00 -0.27 0.00 0.00 36.82 39.04 1ry9 h ILE 85 CO 0.61 0.01 -0.00 -0.46 -1.05 0.00 0.00 178.15 177.26 1ry9 n ASN 86 N -3.12 2.03 -0.05 2.16 6.94 -1.26 -5.00 115.26 116.96 1ry9 n ASN 86 Ca -0.01 -2.24 -0.01 0.00 -0.02 0.00 0.00 54.58 52.31 1ry9 n ASN 86 Cb 0.21 -0.10 -0.00 0.00 -2.36 0.00 0.00 39.78 37.52 1ry9 n ASN 86 CO 0.00 0.00 0.00 1.21 -1.03 0.00 0.00 177.26 177.44 1ry9 n GLU 87 N -0.71 -0.79 -4.22 -3.83 2.13 -1.01 -4.98 120.64 107.23 1ry9 n GLU 87 Ca 0.04 0.25 -0.13 0.00 0.66 0.00 0.00 57.16 57.98 1ry9 n GLU 87 Cb 0.35 -3.87 -0.10 0.00 0.27 0.00 0.00 31.44 28.08 1ry9 n GLU 87 CO 0.00 0.00 0.00 -0.51 -0.41 0.00 0.00 177.13 176.21 1ry9 s LEU 88 N -0.16 1.97 -0.11 4.31 1.43 -1.25 -0.71 118.68 124.16 1ry9 s LEU 88 Ca 0.00 -1.20 -0.07 0.00 -1.03 0.00 0.00 54.13 51.83 1ry9 s LEU 88 Cb 0.00 0.05 -0.04 0.00 0.03 0.00 0.00 46.19 46.23 1ry9 s LEU 88 CO 0.00 -0.63 0.14 -0.69 0.23 0.00 0.00 176.35 175.40 1ry9 s VAL 89 N -3.77 5.49 0.10 -1.59 1.01 -1.26 -4.76 120.40 115.61 1ry9 s VAL 89 Ca 0.25 0.18 0.02 0.00 0.00 0.00 0.00 61.98 62.43 1ry9 s VAL 89 Cb 0.07 -3.40 -0.04 0.00 0.00 0.00 0.00 36.38 33.01 1ry9 s VAL 89 CO 0.04 0.60 0.19 -1.61 0.00 0.00 0.00 175.10 174.32 1ry9 s GLU 90 N -1.08 3.24 -0.15 2.72 2.02 0.11 -4.92 118.70 120.63 1ry9 s GLU 90 Ca 0.16 -0.60 0.01 0.00 0.02 0.00 0.00 54.97 54.56 1ry9 s GLU 90 Cb -0.12 -2.90 0.00 0.00 0.10 0.00 0.00 34.13 31.22 1ry9 s GLU 90 CO 0.05 0.56 -0.18 -0.51 0.02 0.00 0.00 175.26 175.20 1ry9 s LEU 91 N -2.74 2.32 -0.05 1.80 1.43 -1.26 -0.58 118.68 119.60 1ry9 s LEU 91 Ca 0.33 -0.53 0.06 0.00 -1.03 0.00 0.00 54.13 52.96 1ry9 s LEU 91 Cb -0.12 -1.52 -0.01 0.00 0.03 0.00 0.00 46.19 44.57 1ry9 s LEU 91 CO 0.26 0.08 -0.25 -1.00 0.23 0.00 0.00 176.35 175.67 1ry9 s HIS 92 N 0.85 2.38 -0.12 0.29 3.76 0.19 -4.96 115.29 117.68 1ry9 s HIS 92 Ca -0.05 -0.69 -0.00 0.00 -0.15 0.00 0.00 55.06 54.17 1ry9 s HIS 92 Cb -0.15 -1.56 -0.02 0.00 1.11 0.00 0.00 32.58 31.96 1ry9 s HIS 92 CO -0.01 -0.20 -0.12 0.50 -0.85 0.00 0.00 174.74 174.06 1ry9 s ARG 93 N -0.19 3.26 0.43 1.40 3.52 -1.26 -0.25 118.95 125.86 1ry9 s ARG 93 Ca -0.03 -0.66 0.03 0.00 -0.13 0.00 0.00 55.73 54.95 1ry9 s ARG 93 Cb -0.13 -2.63 -0.02 0.00 -1.56 0.00 0.00 34.95 30.60 1ry9 s ARG 93 CO 0.03 0.30 0.09 -1.54 -0.81 0.00 0.00 175.30 173.38 1ry9 s SER 94 N 0.13 3.13 0.29 -2.12 1.04 -0.39 -5.03 113.70 110.76 1ry9 s SER 94 Ca -0.06 -1.65 -0.01 0.00 0.48 0.00 0.00 55.95 54.72 1ry9 s SER 94 Cb -0.15 0.46 0.47 0.00 0.10 0.00 0.00 66.02 66.91 1ry9 s SER 94 CO 0.04 -0.88 1.93 0.44 0.98 0.00 0.00 173.24 175.75 1ry9 h ASP 95 N 1.69 0.95 0.13 7.02 5.19 -2.03 -3.28 116.42 126.10 1ry9 h ASP 95 Ca -0.38 -0.01 -0.36 0.00 -0.62 0.00 0.00 57.03 55.67 1ry9 h ASP 95 Cb 1.28 -0.21 -0.05 0.00 0.18 0.00 0.00 39.33 40.53 1ry9 h ASP 95 CO 0.62 0.64 -2.18 -0.62 -3.12 0.00 0.00 179.24 174.59 1ry9 n GLU 96 N -4.46 0.68 -4.27 3.56 1.02 -1.26 -4.82 120.64 111.10 1ry9 n GLU 96 Ca 0.12 0.17 -0.18 0.00 -0.02 0.00 0.00 57.16 57.25 1ry9 n GLU 96 Cb 0.13 -1.62 -0.11 0.00 -0.02 0.00 0.00 31.44 29.82 1ry9 n GLU 96 CO 0.00 0.00 0.00 0.71 1.18 0.00 0.00 177.13 179.02 1ry9 s TYR 97 N -2.54 1.47 -0.32 -0.32 4.12 -1.24 -1.17 117.35 117.36 1ry9 s TYR 97 Ca -0.19 -0.57 -0.05 0.00 0.02 0.00 0.00 57.07 56.28 1ry9 s TYR 97 Cb 0.07 -0.75 0.04 0.00 -1.52 0.00 0.00 41.96 39.80 1ry9 s TYR 97 CO 0.75 0.19 0.06 -1.17 0.02 0.00 0.00 175.55 175.40 1ry9 s LEU 98 N -2.66 4.13 -0.17 -1.29 2.96 0.51 -1.26 118.68 120.89 1ry9 s LEU 98 Ca 0.12 -1.16 -0.07 0.00 -0.22 0.00 0.00 54.13 52.81 1ry9 s LEU 98 Cb -0.04 -1.81 -0.04 0.00 0.50 0.00 0.00 46.19 44.80 1ry9 s LEU 98 CO 0.04 -0.29 0.05 -1.58 -1.32 0.00 0.00 176.35 173.24 1ry9 s GLN 99 N 1.36 3.90 -0.16 1.98 0.74 0.65 -1.18 119.66 126.95 1ry9 s GLN 99 Ca -0.03 -0.37 -0.16 0.00 0.05 0.00 0.00 55.36 54.86 1ry9 s GLN 99 Cb -0.19 -3.16 -0.04 0.00 1.10 0.00 0.00 33.01 30.71 1ry9 s GLN 99 CO 0.01 0.29 0.39 -1.17 -0.55 0.00 0.00 175.29 174.26 1ry9 s LEU 100 N 0.30 4.22 -0.03 3.68 2.96 -0.29 -0.64 118.68 128.89 1ry9 s LEU 100 Ca 0.02 0.61 -0.03 0.00 -0.22 0.00 0.00 54.13 54.51 1ry9 s LEU 100 Cb -0.13 -2.52 0.01 0.00 0.50 0.00 0.00 46.19 44.05 1ry9 s LEU 100 CO 0.01 0.00 0.08 -0.60 -1.32 0.00 0.00 176.35 174.52 1ry9 s ARG 101 N 0.82 0.14 -0.05 1.98 3.52 0.25 -0.82 118.95 124.80 1ry9 s ARG 101 Ca 0.20 0.05 -0.07 0.00 -0.13 0.00 0.00 55.73 55.78 1ry9 s ARG 101 Cb -0.14 0.06 0.01 0.00 -1.56 0.00 0.00 34.95 33.32 1ry9 s ARG 101 CO 0.07 -0.02 0.17 0.54 -0.81 0.00 0.00 175.30 175.25 1ry9 s VAL 102 N -0.13 0.02 -0.18 7.11 0.11 -0.11 0.09 120.40 127.31 1ry9 s VAL 102 Ca -0.02 -0.18 -0.02 0.00 -2.93 0.00 0.00 61.98 58.83 1ry9 s VAL 102 Cb -0.02 -0.30 -0.01 0.00 -1.53 0.00 0.00 36.38 34.52 1ry9 s VAL 102 CO 0.00 -0.10 -0.10 -0.69 -3.33 0.00 0.00 175.10 170.88 1ry9 s VAL 103 N -0.30 3.05 0.03 2.04 1.01 -1.26 -0.70 120.40 124.27 1ry9 s VAL 103 Ca -0.04 -0.62 -0.18 0.00 0.00 0.00 0.00 61.98 61.14 1ry9 s VAL 103 Cb -0.03 -2.34 -0.06 0.00 0.00 0.00 0.00 36.38 33.95 1ry9 s VAL 103 CO 0.01 0.48 0.51 -0.63 0.00 0.00 0.00 175.10 175.46 1ry9 s ILE 104 N 1.05 4.88 0.50 2.22 -1.09 0.15 -1.06 121.20 127.86 1ry9 s ILE 104 Ca -0.00 1.07 -0.22 0.00 -2.23 0.00 0.00 60.65 59.26 1ry9 s ILE 104 Cb -0.15 -3.83 -0.06 0.00 -1.58 0.00 0.00 42.46 36.85 1ry9 s ILE 104 CO -0.02 0.54 1.28 -0.54 -1.23 0.00 0.00 174.94 174.97 1ry9 s LYS 105 N -0.93 3.42 0.58 2.79 1.02 -0.52 -4.20 119.74 121.91 1ry9 s LYS 105 Ca 0.27 2.05 0.27 0.00 0.02 0.00 0.00 55.97 58.58 1ry9 s LYS 105 Cb -0.18 -2.34 1.64 0.00 -0.52 0.00 0.00 37.83 36.43 1ry9 s LYS 105 CO 0.16 -0.90 2.15 0.22 -0.92 0.00 0.00 175.35 176.06 1ry9 h ASP 106 N 1.75 0.00 -0.01 2.83 3.58 -1.94 -2.23 116.42 120.41 1ry9 h ASP 106 Ca -0.50 0.00 0.00 0.00 0.42 0.00 0.00 57.03 56.95 1ry9 h ASP 106 Cb 1.28 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 42.33 1ry9 h ASP 106 CO 0.59 0.00 0.02 0.44 -2.88 0.00 0.00 179.24 177.41 1ry9 h ASP 107 N 0.00 0.00 -0.24 2.28 5.19 -1.96 -3.03 116.42 118.66 1ry9 h ASP 107 Ca 0.06 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.47 1ry9 h ASP 107 Cb 0.29 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.80 1ry9 h ASP 107 CO -0.00 0.00 0.00 -1.22 -3.12 0.00 0.00 179.24 174.90 1ry9 n TYR 108 N -3.38 0.48 -1.21 4.55 4.01 -0.84 -4.66 117.16 116.11 1ry9 n TYR 108 Ca -0.03 -0.64 0.06 0.00 -0.16 0.00 0.00 57.90 57.13 1ry9 n TYR 108 Cb 0.10 -0.12 0.19 0.00 -0.31 0.00 0.00 39.34 39.20 1ry9 n TYR 108 CO 0.00 0.00 0.00 1.33 -0.46 0.00 0.00 176.86 177.73 1ry9 n VAL 109 N -0.08 2.17 -1.39 -0.72 0.24 -1.15 -4.26 118.33 113.14 1ry9 n VAL 109 Ca 0.13 -2.42 0.06 0.00 -2.04 0.00 0.00 64.34 60.07 1ry9 n VAL 109 Cb 0.54 -0.26 0.09 0.00 -1.47 0.00 0.00 33.84 32.74 1ry9 n VAL 109 CO 0.00 0.00 0.00 1.41 -2.14 0.00 0.00 176.83 176.10 1ry9 n HIS 110 N -1.08 0.00 -3.39 6.34 8.25 -1.26 -4.96 115.22 119.11 1ry9 n HIS 110 Ca 0.21 -0.63 -0.13 0.00 -0.26 0.00 0.00 57.72 56.92 1ry9 n HIS 110 Cb 0.79 -0.11 -0.09 0.00 1.12 0.00 0.00 29.99 31.69 1ry9 n HIS 110 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 1ry9 s ASP 111 N -2.16 0.73 0.53 0.41 -1.08 -1.26 -5.04 116.67 108.79 1ry9 s ASP 111 Ca 0.20 -0.05 0.20 0.00 -0.52 0.00 0.00 52.55 52.38 1ry9 s ASP 111 Cb 0.17 0.84 1.37 0.00 -1.46 0.00 0.00 42.92 43.85 1ry9 s ASP 111 CO 0.02 -0.32 2.14 1.23 0.52 0.00 0.00 175.17 178.76 1ry9 h GLY 112 N 8.23 0.00 0.96 2.66 0.00 -1.93 -0.31 103.07 112.67 1ry9 h GLY 112 Ca -0.17 0.00 -0.11 0.00 0.00 0.00 0.00 47.33 47.05 1ry9 h GLY 112 CO 0.28 0.00 -0.25 -2.22 0.00 0.00 0.00 176.54 174.35 1ry9 h ILE 113 N 0.00 1.30 -0.37 2.60 2.04 -1.93 -0.46 117.51 120.70 1ry9 h ILE 113 Ca -0.00 -1.40 -0.12 0.00 1.00 0.00 0.00 64.86 64.34 1ry9 h ILE 113 Cb 0.08 1.54 -0.01 0.00 -0.74 0.00 0.00 36.82 37.69 1ry9 h ILE 113 CO 0.01 0.45 -0.22 0.58 0.00 0.00 0.00 178.15 178.96 1ry9 h VAL 114 N 0.44 1.28 0.00 1.67 2.07 -1.75 -2.81 116.25 117.15 1ry9 h VAL 114 Ca 0.05 -1.36 -0.04 0.00 0.82 0.00 0.00 66.70 66.17 1ry9 h VAL 114 Cb 0.81 1.37 -0.01 0.00 -1.52 0.00 0.00 31.29 31.94 1ry9 h VAL 114 CO 0.06 0.45 -0.18 0.15 0.02 0.00 0.00 177.57 178.07 1ry9 h PHE 115 N 0.59 0.00 -0.58 1.57 3.04 -1.02 -1.53 116.94 119.00 1ry9 h PHE 115 Ca 0.08 0.00 -0.03 0.00 3.98 0.00 0.00 57.97 62.00 1ry9 h PHE 115 Cb 0.78 0.00 -0.03 0.00 2.56 0.00 0.00 35.95 39.26 1ry9 h PHE 115 CO 0.06 0.18 0.26 0.00 -2.02 0.00 0.00 178.31 176.80 1ry9 h ALA 116 N 1.82 0.75 -0.53 2.41 0.00 -0.82 -0.73 119.26 122.17 1ry9 h ALA 116 Ca -0.00 -0.14 -0.07 0.00 0.00 0.00 0.00 54.91 54.70 1ry9 h ALA 116 Cb 0.38 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 1ry9 h ALA 116 CO 0.02 0.33 0.06 1.49 0.00 0.00 0.00 179.25 181.16 1ry9 h GLU 117 N 0.80 0.85 -0.31 0.00 4.57 -1.15 -0.36 114.58 118.97 1ry9 h GLU 117 Ca 0.20 -0.21 -0.02 0.00 -1.18 0.00 0.00 59.36 58.15 1ry9 h GLU 117 Cb 0.15 -0.11 -0.01 0.00 -0.16 0.00 0.00 28.75 28.62 1ry9 h GLU 117 CO -0.02 0.81 0.10 0.82 -1.18 0.00 0.00 179.01 179.54 1ry9 h ILE 118 N 0.80 1.20 -0.71 2.32 2.04 -0.93 -0.81 117.51 121.42 1ry9 h ILE 118 Ca 0.16 -0.62 -0.04 0.00 1.00 0.00 0.00 64.86 65.36 1ry9 h ILE 118 Cb 0.39 1.03 -0.03 0.00 -0.74 0.00 0.00 36.82 37.47 1ry9 h ILE 118 CO 0.01 0.21 0.28 -0.07 0.00 0.00 0.00 178.15 178.58 1ry9 h LEU 119 N 0.34 0.98 -0.33 1.44 3.38 -0.92 -0.41 115.31 119.79 1ry9 h LEU 119 Ca 0.10 -0.17 -0.00 0.00 0.09 0.00 0.00 57.88 57.89 1ry9 h LEU 119 Cb 0.23 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.71 1ry9 h LEU 119 CO -0.00 0.89 0.19 -0.74 0.09 0.00 0.00 178.44 178.86 1ry9 h HIS 120 N 1.01 0.45 -0.39 1.13 2.76 -0.86 -0.09 115.15 119.15 1ry9 h HIS 120 Ca 0.24 -0.01 -0.15 0.00 -2.20 0.00 0.00 60.37 58.25 1ry9 h HIS 120 Cb 0.21 -0.15 -0.01 0.00 1.55 0.00 0.00 27.41 29.02 1ry9 h HIS 120 CO 0.02 0.34 -0.33 0.93 -1.30 0.00 0.00 177.93 177.59 1ry9 h GLU 121 N 0.42 0.89 -0.68 5.26 5.08 -0.97 -0.90 114.58 123.68 1ry9 h GLU 121 Ca 0.12 -0.43 -0.03 0.00 -1.00 0.00 0.00 59.36 58.01 1ry9 h GLU 121 Cb 0.03 -0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.25 1ry9 h GLU 121 CO -0.02 1.08 0.31 0.35 -1.00 0.00 0.00 179.01 179.73 1ry9 h PHE 122 N 0.74 1.01 -0.88 4.33 3.04 -0.93 -0.95 116.94 123.30 1ry9 h PHE 122 Ca 0.07 -0.06 -0.01 0.00 3.98 0.00 0.00 57.97 61.95 1ry9 h PHE 122 Cb 0.90 -0.31 -0.04 0.00 2.56 0.00 0.00 35.95 39.06 1ry9 h PHE 122 CO 0.05 0.76 0.50 -0.92 -2.02 0.00 0.00 178.31 176.69 1ry9 h TYR 123 N 0.96 1.19 -0.74 0.41 3.20 -0.78 -0.61 116.97 120.61 1ry9 h TYR 123 Ca 0.23 -0.02 -0.06 0.00 3.14 0.00 0.00 58.73 62.02 1ry9 h TYR 123 Cb 0.15 -0.39 -0.03 0.00 1.54 0.00 0.00 36.73 38.01 1ry9 h TYR 123 CO 0.01 0.82 0.22 1.96 -1.64 0.00 0.00 178.16 179.53 1ry9 h GLN 124 N 1.23 1.15 -0.64 1.82 4.20 -0.46 0.65 115.11 123.06 1ry9 h GLN 124 Ca 0.31 -0.25 -0.08 0.00 0.06 0.00 0.00 58.65 58.69 1ry9 h GLN 124 Cb -0.00 -0.16 -0.02 0.00 0.30 0.00 0.00 27.48 27.59 1ry9 h GLN 124 CO -0.05 0.98 0.07 0.00 -0.67 0.00 0.00 178.83 179.16 1ry9 h ARG 125 N 1.10 1.08 -0.85 1.46 2.47 -0.77 -2.15 114.38 116.71 1ry9 h ARG 125 Ca 0.24 -0.30 -0.03 0.00 -1.26 0.00 0.00 59.98 58.63 1ry9 h ARG 125 Cb 0.32 -0.12 -0.04 0.00 -1.65 0.00 0.00 29.97 28.48 1ry9 h ARG 125 CO -0.01 1.01 0.42 0.52 0.56 0.00 0.00 179.97 182.47 1ry9 h MET 126 N 1.00 1.22 -0.63 0.04 2.86 -0.55 -2.01 114.93 116.87 1ry9 h MET 126 Ca 0.19 -0.17 -0.01 0.00 -2.06 0.00 0.00 59.70 57.65 1ry9 h MET 126 Cb 0.48 -0.22 -0.03 0.00 0.06 0.00 0.00 31.60 31.88 1ry9 h MET 126 CO 0.02 0.93 0.36 0.93 1.06 0.00 0.00 176.91 180.21 1ry9 h GLU 127 N 1.21 0.86 -0.28 1.72 5.08 -0.51 0.80 114.58 123.46 1ry9 h GLU 127 Ca 0.29 -0.09 -0.03 0.00 -1.00 0.00 0.00 59.36 58.54 1ry9 h GLU 127 Cb 0.10 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.17 1ry9 h GLU 127 CO -0.04 0.63 0.05 0.82 -1.00 0.00 0.00 179.01 179.47 1ry9 h ILE 128 N 0.85 1.23 -0.33 3.13 2.04 -1.13 -1.64 117.51 121.66 1ry9 h ILE 128 Ca 0.22 -0.78 -0.03 0.00 1.00 0.00 0.00 64.86 65.27 1ry9 h ILE 128 Cb 0.00 1.21 -0.01 0.00 -0.74 0.00 0.00 36.82 37.28 1ry9 h ILE 128 CO -0.04 0.25 0.09 0.25 0.00 0.00 0.00 178.15 178.71 1ry9 h LEU 129 N 0.27 0.49 -1.07 1.44 5.85 -1.21 -2.84 115.31 118.25 1ry9 h LEU 129 Ca 0.08 -0.22 0.08 0.00 0.84 0.00 0.00 57.88 58.67 1ry9 h LEU 129 Cb 0.33 -0.13 -0.07 0.00 0.37 0.00 0.00 40.66 41.16 1ry9 h LEU 129 CO 0.01 0.58 0.62 -1.13 -0.34 0.00 0.00 178.44 178.18 1ry9 h ASN 130 N 0.38 0.95 0.59 1.25 -1.24 -0.76 -1.88 115.58 114.88 1ry9 h ASN 130 Ca 0.11 0.02 -0.03 0.00 0.71 0.00 0.00 56.30 57.11 1ry9 h ASN 130 Cb 0.27 -0.18 -0.00 0.00 0.73 0.00 0.00 38.32 39.13 1ry9 h ASN 130 CO -0.00 0.58 -0.12 1.23 -1.29 0.00 0.00 177.43 177.83 1ry9 h GLY 131 N 1.07 0.00 -1.47 1.57 0.00 -1.06 -2.93 103.07 100.25 1ry9 h GLY 131 Ca 0.43 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.76 1ry9 h GLY 131 CO -0.18 0.00 0.00 3.33 0.00 0.00 0.00 176.54 179.69 1ry9 n VAL 132 N -3.43 0.29 0.89 4.60 0.24 -0.76 -5.11 118.33 115.04 1ry9 n VAL 132 Ca -0.01 -0.64 0.11 0.00 -2.04 0.00 0.00 64.34 61.75 1ry9 n VAL 132 Cb 0.29 1.10 0.09 0.00 -1.47 0.00 0.00 33.84 33.85 1ry9 n VAL 132 CO 0.00 0.00 0.00 0.18 -2.14 0.00 0.00 176.83 174.87