#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 0.01 0.00 7.83 0.15 -1.26 -4.93 113.70 115.49 1ry9 s SER 2 Ca 0.00 -0.58 0.18 0.00 0.70 0.00 0.00 55.95 56.25 1ry9 s SER 2 Cb 0.00 0.39 0.51 0.00 -1.71 0.00 0.00 66.02 65.21 1ry9 s SER 2 CO 0.00 -0.79 1.42 -0.46 1.20 0.00 0.00 173.24 174.61 1ry9 n ASN 3 N -0.13 2.79 -0.27 5.45 0.23 0.35 -4.59 115.26 119.09 1ry9 n ASN 3 Ca -0.14 -1.95 0.01 0.00 -0.53 0.00 0.00 54.58 51.96 1ry9 n ASN 3 Cb 0.63 -0.30 0.14 0.00 -2.08 0.00 0.00 39.78 38.16 1ry9 n ASN 3 CO 0.00 0.00 0.00 -0.29 -0.93 0.00 0.00 177.26 176.04 1ry9 h ILE 4 N 3.23 0.95 -0.30 1.53 6.09 -1.97 0.22 117.51 127.27 1ry9 h ILE 4 Ca 0.00 -0.27 -0.10 0.00 -1.37 0.00 0.00 64.86 63.12 1ry9 h ILE 4 Cb 0.73 0.10 -0.01 0.00 0.47 0.00 0.00 36.82 38.11 1ry9 h ILE 4 CO 0.00 0.14 -0.23 0.78 -3.07 0.00 0.00 178.15 175.78 1ry9 h ASN 5 N 0.78 0.57 -0.43 2.19 -0.26 -1.99 -1.45 115.58 114.98 1ry9 h ASN 5 Ca 0.35 -0.19 -0.13 0.00 -0.56 0.00 0.00 56.30 55.77 1ry9 h ASN 5 Cb 0.26 -0.16 -0.01 0.00 -1.06 0.00 0.00 38.32 37.35 1ry9 h ASN 5 CO -0.21 0.79 -0.23 0.25 -1.06 0.00 0.00 177.43 176.97 1ry9 h LEU 6 N 0.50 0.96 -0.61 1.61 5.85 -1.63 -1.13 115.31 120.86 1ry9 h LEU 6 Ca 0.08 -0.41 -0.01 0.00 0.84 0.00 0.00 57.88 58.37 1ry9 h LEU 6 Cb 0.67 -0.27 -0.03 0.00 0.37 0.00 0.00 40.66 41.40 1ry9 h LEU 6 CO 0.05 1.16 0.33 0.58 -0.34 0.00 0.00 178.44 180.22 1ry9 h VAL 7 N 0.76 1.20 -0.35 1.05 2.07 -0.77 -1.46 116.25 118.74 1ry9 h VAL 7 Ca 0.09 -0.49 -0.08 0.00 0.82 0.00 0.00 66.70 67.04 1ry9 h VAL 7 Cb 0.81 0.41 -0.02 0.00 -1.52 0.00 0.00 31.29 30.98 1ry9 h VAL 7 CO 0.07 0.21 -0.13 -0.61 0.02 0.00 0.00 177.57 177.13 1ry9 h GLN 8 N 0.83 0.62 -0.37 1.57 5.75 -1.11 -0.44 115.11 121.96 1ry9 h GLN 8 Ca 0.21 -0.20 -0.06 0.00 -0.15 0.00 0.00 58.65 58.46 1ry9 h GLN 8 Cb 0.04 -0.06 -0.01 0.00 1.07 0.00 0.00 27.48 28.52 1ry9 h GLN 8 CO -0.03 0.74 0.01 1.25 -2.65 0.00 0.00 178.83 178.14 1ry9 h LEU 9 N 0.57 0.63 -0.54 -2.39 5.85 -0.82 -0.89 115.31 117.72 1ry9 h LEU 9 Ca 0.10 -0.30 -0.10 0.00 0.84 0.00 0.00 57.88 58.42 1ry9 h LEU 9 Cb 0.56 -0.17 -0.02 0.00 0.37 0.00 0.00 40.66 41.40 1ry9 h LEU 9 CO 0.04 0.78 -0.04 0.58 -0.34 0.00 0.00 178.44 179.45 1ry9 h VAL 10 N 0.47 1.27 -0.09 1.05 2.07 -1.06 -0.90 116.25 119.05 1ry9 h VAL 10 Ca 0.11 -1.17 0.00 0.00 0.82 0.00 0.00 66.70 66.45 1ry9 h VAL 10 Cb 0.45 0.93 -0.00 0.00 -1.52 0.00 0.00 31.29 31.15 1ry9 h VAL 10 CO 0.02 0.42 0.06 0.03 0.02 0.00 0.00 177.57 178.11 1ry9 h ARG 11 N 0.86 0.12 -0.74 1.57 3.08 -0.94 -0.82 114.38 117.51 1ry9 h ARG 11 Ca 0.15 -0.01 -0.02 0.00 0.07 0.00 0.00 59.98 60.17 1ry9 h ARG 11 Cb 0.59 -0.03 -0.04 0.00 0.08 0.00 0.00 29.97 30.58 1ry9 h ARG 11 CO 0.04 0.09 0.39 -0.44 -1.07 0.00 0.00 179.97 178.97 1ry9 h ASP 12 N 0.12 0.93 -0.07 7.04 3.45 -1.00 -1.74 116.42 125.15 1ry9 h ASP 12 Ca 0.03 -0.08 -0.02 0.00 0.43 0.00 0.00 57.03 57.39 1ry9 h ASP 12 Cb -0.01 -0.24 -0.00 0.00 -0.56 0.00 0.00 39.33 38.53 1ry9 h ASP 12 CO -0.01 0.76 -0.05 0.28 -1.57 0.00 0.00 179.24 178.65 1ry9 h SER 13 N 1.04 0.16 0.25 6.45 0.02 -0.88 -2.58 113.55 118.02 1ry9 h SER 13 Ca 0.26 -0.46 -0.03 0.00 -0.84 0.00 0.00 61.79 60.72 1ry9 h SER 13 Cb 0.05 -0.04 -0.00 0.00 0.14 0.00 0.00 62.40 62.54 1ry9 h SER 13 CO -0.04 0.59 -0.14 -0.07 -1.14 0.00 0.00 176.83 176.04 1ry9 h LEU 14 N -0.27 0.00 -0.35 5.07 3.38 -1.07 -0.97 115.31 121.10 1ry9 h LEU 14 Ca 0.01 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.95 1ry9 h LEU 14 Cb 0.54 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.28 1ry9 h LEU 14 CO 0.01 0.14 0.09 0.15 0.09 0.00 0.00 178.44 178.92 1ry9 h PHE 15 N 0.00 0.57 -0.38 1.13 3.57 -1.17 -1.38 116.94 119.28 1ry9 h PHE 15 Ca -0.00 -0.06 -0.06 0.00 3.53 0.00 0.00 57.97 61.37 1ry9 h PHE 15 Cb 0.30 -0.16 -0.02 0.00 2.79 0.00 0.00 35.95 38.86 1ry9 h PHE 15 CO 0.00 0.57 -0.03 1.15 -2.23 0.00 0.00 178.31 177.77 1ry9 h THR 16 N 0.41 1.22 0.00 4.41 2.02 -0.81 -2.74 112.91 117.42 1ry9 h THR 16 Ca 0.11 -0.93 -0.11 0.00 0.77 0.00 0.00 66.41 66.25 1ry9 h THR 16 Cb 0.28 0.97 -0.02 0.00 -1.74 0.00 0.00 68.15 67.65 1ry9 h THR 16 CO -0.00 0.32 -0.51 0.40 0.37 0.00 0.00 175.52 176.10 1ry9 h ILE 17 N 0.58 1.14 0.00 3.11 2.04 -1.06 -3.47 117.51 119.85 1ry9 h ILE 17 Ca 0.12 -1.90 0.00 0.00 1.00 0.00 0.00 64.86 64.08 1ry9 h ILE 17 Cb 0.42 2.09 0.00 0.00 -0.74 0.00 0.00 36.82 38.59 1ry9 h ILE 17 CO 0.02 0.50 0.00 0.61 0.00 0.00 0.00 178.15 179.28 1ry9 n GLY 18 N 0.36 0.82 3.86 5.37 0.00 -0.62 -5.10 105.19 109.88 1ry9 n GLY 18 Ca -0.00 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 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 -3.87 3.94 0.00 0.00 0.04 -1.26 -4.33 135.00 129.51 1ry9 s PRO 20 Ca 0.54 0.72 0.01 0.00 0.04 0.00 0.00 61.00 62.30 1ry9 s PRO 20 Cb -0.10 -2.32 0.04 0.00 0.04 0.00 0.00 34.50 32.16 1ry9 s PRO 20 CO 0.30 -0.03 0.81 -0.35 0.04 0.00 0.00 177.00 177.78 1ry9 n PRO 21 N -1.00 0.78 0.09 0.56 -0.04 -1.26 -3.30 135.00 130.83 1ry9 n PRO 21 Ca 0.04 0.00 0.12 0.00 -0.04 0.00 0.00 63.50 63.62 1ry9 n PRO 21 Cb 0.54 -1.01 0.45 0.00 -0.04 0.00 0.00 33.50 33.44 1ry9 n PRO 21 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 1ry9 n SER 22 N -0.51 0.60 0.01 3.54 3.41 -1.26 -3.02 113.62 116.38 1ry9 n SER 22 Ca 0.01 0.59 0.11 0.00 -0.26 0.00 0.00 58.87 59.32 1ry9 n SER 22 Cb 0.00 -0.74 0.11 0.00 -0.26 0.00 0.00 64.21 63.32 1ry9 n SER 22 CO 0.00 0.00 0.00 2.30 -0.16 0.00 0.00 175.04 177.18 1ry9 n ILE 23 N -2.10 0.06 -3.54 -1.33 -5.35 -1.21 -4.89 119.36 101.01 1ry9 n ILE 23 Ca 0.04 -0.08 -0.37 0.00 -0.27 0.00 0.00 62.75 62.08 1ry9 n ILE 23 Cb 0.33 0.37 -0.08 0.00 -1.74 0.00 0.00 39.64 38.52 1ry9 n ILE 23 CO 0.00 0.00 0.00 -0.51 -1.76 0.00 0.00 176.55 174.28 1ry9 s ILE 24 N -3.06 5.30 0.13 7.28 -1.16 -1.17 -1.38 121.20 127.14 1ry9 s ILE 24 Ca 0.08 0.49 -0.04 0.00 -0.51 0.00 0.00 60.65 60.68 1ry9 s ILE 24 Cb 0.16 -3.62 -0.03 0.00 0.61 0.00 0.00 42.46 39.58 1ry9 s ILE 24 CO 0.76 0.35 0.13 0.42 -2.81 0.00 0.00 174.94 173.79 1ry9 s THR 25 N 0.78 0.11 0.19 4.00 -4.23 -0.16 -4.98 115.64 111.35 1ry9 s THR 25 Ca 0.15 -1.68 -0.16 0.00 -1.18 0.00 0.00 61.69 58.82 1ry9 s THR 25 Cb -0.13 -1.87 0.02 0.00 1.34 0.00 0.00 72.50 71.86 1ry9 s THR 25 CO 0.04 -0.49 0.47 1.51 -0.54 0.00 0.00 174.62 175.62 1ry9 s ASP 26 N -2.99 -0.20 -0.14 3.99 3.84 -1.26 -0.66 116.67 119.24 1ry9 s ASP 26 Ca 0.19 -0.55 -0.21 0.00 -0.00 0.00 0.00 52.55 51.98 1ry9 s ASP 26 Cb 0.06 0.55 -0.25 0.00 -1.38 0.00 0.00 42.92 41.90 1ry9 s ASP 26 CO -0.01 -1.01 0.53 -0.07 -0.00 0.00 0.00 175.17 174.61 1ry9 h LEU 27 N 2.27 0.18 0.00 2.11 4.07 -1.91 -3.50 115.31 118.53 1ry9 h LEU 27 Ca -0.30 -0.79 0.00 0.00 0.08 0.00 0.00 57.88 56.87 1ry9 h LEU 27 Cb 1.25 -0.06 0.00 0.00 1.08 0.00 0.00 40.66 42.94 1ry9 h LEU 27 CO 0.40 1.41 0.00 -0.90 -1.08 0.00 0.00 178.44 178.27 1ry9 n ASP 28 N -4.26 0.00 0.00 -0.43 5.68 -1.26 -5.03 116.55 111.26 1ry9 n ASP 28 Ca -0.23 -0.86 0.11 0.00 -0.50 0.00 0.00 54.79 53.32 1ry9 n ASP 28 Cb 0.73 0.00 0.67 0.00 -1.14 0.00 0.00 41.12 41.38 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 -0.85 0.00 0.00 -1.12 3.41 -1.26 -3.09 113.62 110.71 1ry9 n SER 29 Ca 0.00 -0.88 0.00 0.00 -0.26 0.00 0.00 58.87 57.73 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 -0.94 0.00 -2.75 7.33 8.25 -1.26 -0.49 115.22 125.35 1ry9 n HIS 30 Ca 0.17 -0.15 -0.21 0.00 -0.26 0.00 0.00 57.72 57.26 1ry9 n HIS 30 Cb 0.08 -0.02 0.07 0.00 1.12 0.00 0.00 29.99 31.24 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 -0.31 4.93 0.62 0.41 1.04 -1.18 -4.93 113.70 114.29 1ry9 s SER 31 Ca 0.00 -0.38 -0.15 0.00 0.48 0.00 0.00 55.95 55.90 1ry9 s SER 31 Cb 0.00 -0.26 -0.02 0.00 0.10 0.00 0.00 66.02 65.83 1ry9 s SER 31 CO 0.00 -1.42 1.08 0.00 0.98 0.00 0.00 173.24 173.88 1ry9 s ALA 32 N -2.84 2.65 -0.03 5.32 0.00 -1.26 -4.90 121.76 120.69 1ry9 s ALA 32 Ca 0.61 0.44 -0.03 0.00 0.00 0.00 0.00 51.96 52.98 1ry9 s ALA 32 Cb -0.07 -3.26 -0.04 0.00 0.00 0.00 0.00 23.12 19.75 1ry9 s ALA 32 CO 0.40 -0.98 0.14 0.42 0.00 0.00 0.00 175.76 175.74 1ry9 s ILE 33 N -2.43 5.21 -0.04 0.00 1.01 0.37 -4.30 121.20 121.02 1ry9 s ILE 33 Ca 0.65 -0.15 0.04 0.00 0.00 0.00 0.00 60.65 61.18 1ry9 s ILE 33 Cb -0.17 -3.38 -0.00 0.00 0.01 0.00 0.00 42.46 38.91 1ry9 s ILE 33 CO 0.39 0.41 -0.16 -0.89 0.00 0.00 0.00 174.94 174.68 1ry9 s THR 34 N -1.21 1.38 -0.30 2.92 2.01 0.16 -0.54 115.64 120.06 1ry9 s THR 34 Ca 0.23 -0.69 -0.03 0.00 0.31 0.00 0.00 61.69 61.51 1ry9 s THR 34 Cb -0.12 -1.19 0.04 0.00 0.01 0.00 0.00 72.50 71.24 1ry9 s THR 34 CO 0.14 0.40 0.02 -0.63 -0.69 0.00 0.00 174.62 173.86 1ry9 s ILE 35 N 0.06 3.21 0.09 1.82 1.01 0.07 -0.99 121.20 126.47 1ry9 s ILE 35 Ca -0.04 -1.25 -0.30 0.00 0.00 0.00 0.00 60.65 59.06 1ry9 s ILE 35 Cb -0.11 -2.80 -0.06 0.00 0.01 0.00 0.00 42.46 39.50 1ry9 s ILE 35 CO 0.02 -0.08 1.05 -0.44 0.00 0.00 0.00 174.94 175.49 1ry9 s SER 36 N 1.31 7.33 0.18 3.58 0.01 -0.48 -1.60 113.70 124.03 1ry9 s SER 36 Ca -0.04 1.88 0.11 0.00 1.31 0.00 0.00 55.95 59.21 1ry9 s SER 36 Cb -0.19 -2.59 -0.04 0.00 0.21 0.00 0.00 66.02 63.41 1ry9 s SER 36 CO -0.00 -0.23 -0.22 -0.76 0.41 0.00 0.00 173.24 172.43 1ry9 s LEU 37 N 0.34 2.50 -0.25 2.44 1.43 -1.26 -4.89 118.68 118.99 1ry9 s LEU 37 Ca 0.51 -0.80 -0.29 0.00 -1.03 0.00 0.00 54.13 52.52 1ry9 s LEU 37 Cb -0.25 -1.25 0.01 0.00 0.03 0.00 0.00 46.19 44.72 1ry9 s LEU 37 CO 0.31 0.13 1.05 -0.62 0.23 0.00 0.00 176.35 177.45 1ry9 s ASP 38 N -2.58 7.06 -1.72 2.29 -1.08 -1.26 -3.84 116.67 115.55 1ry9 s ASP 38 Ca 0.20 1.32 0.00 0.00 -0.52 0.00 0.00 52.55 53.55 1ry9 s ASP 38 Cb -0.08 -2.54 0.00 0.00 -1.46 0.00 0.00 42.92 38.84 1ry9 s ASP 38 CO 0.10 -0.71 0.00 -1.20 0.52 0.00 0.00 175.17 173.88 1ry9 n SER 39 N 6.44 -5.47 -3.80 -0.34 7.64 -1.26 -4.98 113.62 111.84 1ry9 n SER 39 Ca 0.12 0.08 -0.10 0.00 1.01 0.00 0.00 58.87 59.98 1ry9 n SER 39 Cb 0.46 -4.54 -0.07 0.00 -1.01 0.00 0.00 64.21 59.05 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 -4.68 0.82 0.81 1.43 -1.94 -1.25 -5.13 119.30 109.37 1ry9 s MET 40 Ca 0.00 -0.73 -0.13 0.00 -1.71 0.00 0.00 55.69 53.12 1ry9 s MET 40 Cb 0.00 0.35 0.09 0.00 2.01 0.00 0.00 34.83 37.27 1ry9 s MET 40 CO 0.00 -0.27 1.18 -2.14 -0.01 0.00 0.00 175.02 173.78 1ry9 s PRO 41 N -3.20 1.65 0.60 2.03 0.02 -1.26 -4.39 135.00 130.44 1ry9 s PRO 41 Ca -0.00 1.64 -0.16 0.00 0.02 0.00 0.00 61.00 62.50 1ry9 s PRO 41 Cb 0.02 -1.79 -0.03 0.00 0.02 0.00 0.00 34.50 32.71 1ry9 s PRO 41 CO -0.07 -2.18 1.06 0.00 -0.33 0.00 0.00 177.00 175.48 1ry9 s ALA 42 N -2.32 2.72 -0.19 -1.55 0.00 -1.26 -4.58 121.76 114.58 1ry9 s ALA 42 Ca 0.70 0.41 -0.18 0.00 0.00 0.00 0.00 51.96 52.89 1ry9 s ALA 42 Cb -0.26 -3.24 -0.03 0.00 0.00 0.00 0.00 23.12 19.59 1ry9 s ALA 42 CO 0.52 -0.84 0.50 0.42 0.00 0.00 0.00 175.76 176.35 1ry9 s ILE 43 N -2.44 5.13 -0.09 0.00 1.01 -0.63 -4.40 121.20 119.78 1ry9 s ILE 43 Ca 0.64 0.92 -0.03 0.00 0.00 0.00 0.00 60.65 62.18 1ry9 s ILE 43 Cb -0.16 -3.82 -0.03 0.00 0.01 0.00 0.00 42.46 38.45 1ry9 s ILE 43 CO 0.37 0.21 0.04 0.20 0.00 0.00 0.00 174.94 175.76 1ry9 s ASN 44 N 1.07 5.54 -0.05 3.58 0.01 0.44 -0.75 114.94 124.78 1ry9 s ASN 44 Ca 0.24 0.23 0.00 0.00 -0.71 0.00 0.00 52.86 52.61 1ry9 s ASN 44 Cb -0.15 -1.63 0.03 0.00 0.41 0.00 0.00 41.25 39.91 1ry9 s ASN 44 CO 0.09 0.39 -0.01 -0.63 -1.51 0.00 0.00 177.10 175.43 1ry9 s ILE 45 N -0.93 0.35 0.10 0.60 1.01 0.29 -1.25 121.20 121.38 1ry9 s ILE 45 Ca 0.14 0.04 -0.16 0.00 0.00 0.00 0.00 60.65 60.67 1ry9 s ILE 45 Cb -0.11 -0.45 0.03 0.00 0.01 0.00 0.00 42.46 41.94 1ry9 s ILE 45 CO 0.03 0.21 0.38 0.00 0.00 0.00 0.00 174.94 175.56 1ry9 s ALA 46 N 1.30 -0.87 -0.41 9.38 0.00 -0.71 -0.48 121.76 129.98 1ry9 s ALA 46 Ca -0.05 -0.04 -0.23 0.00 0.00 0.00 0.00 51.96 51.64 1ry9 s ALA 46 Cb -0.13 0.60 0.02 0.00 0.00 0.00 0.00 23.12 23.60 1ry9 s ALA 46 CO -0.02 -0.59 0.76 -1.17 0.00 0.00 0.00 175.76 174.74 1ry9 s LEU 47 N -2.65 4.22 -0.27 0.00 1.98 -1.26 -0.83 118.68 119.87 1ry9 s LEU 47 Ca 0.01 0.08 0.02 0.00 -2.89 0.00 0.00 54.13 51.35 1ry9 s LEU 47 Cb 0.02 -2.95 0.06 0.00 0.66 0.00 0.00 46.19 43.97 1ry9 s LEU 47 CO -0.10 -0.80 -0.09 -0.69 -1.89 0.00 0.00 176.35 172.78 1ry9 s VAL 48 N 3.13 2.36 -1.24 1.68 1.01 0.44 -4.74 120.40 123.03 1ry9 s VAL 48 Ca 0.29 -1.57 -0.02 0.00 0.00 0.00 0.00 61.98 60.69 1ry9 s VAL 48 Cb -0.13 -2.37 -0.01 0.00 0.00 0.00 0.00 36.38 33.87 1ry9 s VAL 48 CO 0.19 -0.04 0.81 0.59 0.00 0.00 0.00 175.10 176.66 1ry9 n ASN 49 N 4.48 -2.08 -1.27 3.32 3.02 -1.26 -2.14 115.26 119.33 1ry9 n ASN 49 Ca -0.14 -0.76 -0.17 0.00 -0.03 0.00 0.00 54.58 53.48 1ry9 n ASN 49 Cb 0.42 -4.44 -0.07 0.00 -0.61 0.00 0.00 39.78 35.08 1ry9 n ASN 49 CO 0.00 0.00 0.00 1.21 -2.62 0.00 0.00 177.26 175.85 1ry9 n GLU 50 N -4.14 -1.38 -4.56 3.52 4.07 -1.26 -4.97 120.64 111.92 1ry9 n GLU 50 Ca -0.27 1.08 -0.21 0.00 -0.06 0.00 0.00 57.16 57.70 1ry9 n GLU 50 Cb 0.67 -5.39 -0.15 0.00 -0.06 0.00 0.00 31.44 26.51 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 -3.38 1.06 -0.08 5.31 -0.21 -0.91 -4.99 119.66 116.46 1ry9 s GLN 51 Ca 0.00 -0.44 -0.30 0.00 0.02 0.00 0.00 55.36 54.64 1ry9 s GLN 51 Cb 0.00 -1.01 -0.02 0.00 1.00 0.00 0.00 33.01 32.98 1ry9 s GLN 51 CO 0.00 0.25 1.03 0.08 -2.12 0.00 0.00 175.29 174.53 1ry9 s VAL 52 N -0.21 4.72 -0.06 1.09 1.01 -1.26 -0.42 120.40 125.27 1ry9 s VAL 52 Ca 0.03 1.99 0.05 0.00 0.00 0.00 0.00 61.98 64.05 1ry9 s VAL 52 Cb -0.06 -4.28 -0.01 0.00 0.00 0.00 0.00 36.38 32.04 1ry9 s VAL 52 CO -0.00 0.04 -0.23 -0.32 0.00 0.00 0.00 175.10 174.58 1ry9 s MET 53 N 1.82 2.61 -0.05 2.72 1.75 -0.01 -0.60 119.30 127.55 1ry9 s MET 53 Ca 0.50 -0.88 0.03 0.00 -1.25 0.00 0.00 55.69 54.09 1ry9 s MET 53 Cb -0.20 -2.21 -0.03 0.00 2.84 0.00 0.00 34.83 35.23 1ry9 s MET 53 CO 0.20 0.38 -0.11 -0.51 -0.65 0.00 0.00 175.02 174.34 1ry9 s LEU 54 N -0.16 2.92 0.02 4.11 1.43 0.13 -1.74 118.68 125.39 1ry9 s LEU 54 Ca -0.03 -0.13 -0.19 0.00 -1.03 0.00 0.00 54.13 52.74 1ry9 s LEU 54 Cb -0.14 -1.62 0.04 0.00 0.03 0.00 0.00 46.19 44.50 1ry9 s LEU 54 CO 0.04 0.35 0.43 -1.66 0.23 0.00 0.00 176.35 175.74 1ry9 s TRP 55 N -0.78 -0.31 -0.01 0.29 -2.14 -0.38 -0.94 118.94 114.66 1ry9 s TRP 55 Ca 0.12 0.37 0.00 0.00 2.66 0.00 0.00 56.10 59.25 1ry9 s TRP 55 Cb -0.11 0.23 0.01 0.00 -3.10 0.00 0.00 33.47 30.51 1ry9 s TRP 55 CO 0.01 -0.55 0.00 0.00 -2.66 0.00 0.00 176.95 173.76 1ry9 s ALA 56 N -2.09 0.17 -0.38 2.67 0.00 -0.26 -0.42 121.76 121.45 1ry9 s ALA 56 Ca -0.08 0.09 -0.12 0.00 0.00 0.00 0.00 51.96 51.86 1ry9 s ALA 56 Cb -0.02 -0.16 0.03 0.00 0.00 0.00 0.00 23.12 22.97 1ry9 s ALA 56 CO 0.01 -0.03 0.22 -0.80 0.00 0.00 0.00 175.76 175.16 1ry9 s ASN 57 N 0.53 5.79 0.05 0.00 0.01 -1.26 -1.29 114.94 118.77 1ry9 s ASN 57 Ca -0.05 -1.00 -0.07 0.00 -0.71 0.00 0.00 52.86 51.03 1ry9 s ASN 57 Cb -0.07 -2.04 -0.05 0.00 0.41 0.00 0.00 41.25 39.49 1ry9 s ASN 57 CO -0.01 -0.40 0.33 -0.36 -1.51 0.00 0.00 177.10 175.14 1ry9 s PHE 58 N 1.57 3.56 0.22 2.20 0.40 -0.31 -4.75 117.98 120.88 1ry9 s PHE 58 Ca 0.02 0.63 -0.32 0.00 -0.60 0.00 0.00 56.93 56.67 1ry9 s PHE 58 Cb -0.19 -2.04 -0.12 0.00 0.51 0.00 0.00 43.02 41.17 1ry9 s PHE 58 CO 0.07 0.55 1.67 -0.25 0.70 0.00 0.00 175.22 177.97 1ry9 n ASP 59 N 0.87 3.82 -4.70 1.36 8.00 -1.26 -0.73 116.55 123.90 1ry9 n ASP 59 Ca -0.09 1.08 -0.42 0.00 0.71 0.00 0.00 54.79 56.08 1ry9 n ASP 59 Cb 0.52 -1.56 -0.03 0.00 -0.02 0.00 0.00 41.12 40.04 1ry9 n ASP 59 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1ry9 s ALA 60 N 0.85 3.72 0.64 2.24 0.00 -0.31 -4.55 121.76 124.34 1ry9 s ALA 60 Ca 0.73 1.27 -0.11 0.00 0.00 0.00 0.00 51.96 53.85 1ry9 s ALA 60 Cb -0.53 -3.65 -0.03 0.00 0.00 0.00 0.00 23.12 18.91 1ry9 s ALA 60 CO 0.37 -0.93 1.04 -1.25 0.00 0.00 0.00 175.76 174.99 1ry9 s PRO 61 N 1.88 3.44 0.91 0.00 0.04 -1.26 -4.96 135.00 135.05 1ry9 s PRO 61 Ca 0.71 0.79 -0.12 0.00 0.04 0.00 0.00 61.00 62.43 1ry9 s PRO 61 Cb -0.41 -2.06 0.14 0.00 0.04 0.00 0.00 34.50 32.21 1ry9 s PRO 61 CO 0.32 -0.69 1.09 -1.54 0.04 0.00 0.00 177.00 176.21 1ry9 s SER 62 N -4.10 3.35 0.27 6.66 1.04 -1.26 -4.82 113.70 114.84 1ry9 s SER 62 Ca 0.56 1.49 -0.03 0.00 0.48 0.00 0.00 55.95 58.45 1ry9 s SER 62 Cb -0.12 -2.17 0.36 0.00 0.10 0.00 0.00 66.02 64.20 1ry9 s SER 62 CO 0.54 -2.71 1.90 0.44 0.98 0.00 0.00 173.24 174.38 1ry9 h ASP 63 N -1.60 0.96 0.06 7.02 3.32 -1.99 -1.75 116.42 122.44 1ry9 h ASP 63 Ca -0.50 -0.08 -0.12 0.00 0.02 0.00 0.00 57.03 56.35 1ry9 h ASP 63 Cb 1.29 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 40.58 1ry9 h ASP 63 CO 0.54 0.77 -0.39 -0.37 -1.72 0.00 0.00 179.24 178.07 1ry9 h VAL 64 N 1.07 1.30 -0.52 -1.35 -1.51 -1.99 -0.48 116.25 112.78 1ry9 h VAL 64 Ca 0.27 -1.53 -0.12 0.00 -1.23 0.00 0.00 66.70 64.09 1ry9 h VAL 64 Cb 0.03 1.59 -0.02 0.00 -2.13 0.00 0.00 31.29 30.77 1ry9 h VAL 64 CO -0.04 0.47 -0.16 0.50 -1.23 0.00 0.00 177.57 177.11 1ry9 h LYS 65 N 0.36 1.02 -0.56 5.19 1.63 -1.85 -2.17 116.57 120.19 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 0.85 -0.05 -0.03 0.00 -0.60 0.00 0.00 32.23 32.41 1ry9 h LYS 65 CO 0.07 1.09 0.18 1.25 -3.45 0.00 0.00 179.45 178.60 1ry9 h LEU 66 N 0.89 0.77 -0.58 5.20 5.85 -0.99 -2.07 115.31 124.38 1ry9 h LEU 66 Ca 0.13 -0.12 -0.05 0.00 0.84 0.00 0.00 57.88 58.67 1ry9 h LEU 66 Cb 0.74 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 41.55 1ry9 h LEU 66 CO 0.06 0.73 0.15 -0.61 -0.34 0.00 0.00 178.44 178.42 1ry9 h GLN 67 N 0.82 0.92 0.00 1.25 4.15 -0.69 0.48 115.11 122.04 1ry9 h GLN 67 Ca 0.19 -0.22 0.00 0.00 0.77 0.00 0.00 58.65 59.39 1ry9 h GLN 67 Cb 0.23 -0.12 0.00 0.00 0.21 0.00 0.00 27.48 27.79 1ry9 h GLN 67 CO -0.01 0.85 0.00 0.66 -1.93 0.00 0.00 178.83 178.40 1ry9 h SER 68 N 0.83 0.00 -0.09 -0.69 4.64 -1.08 -3.16 113.55 114.00 1ry9 h SER 68 Ca 0.18 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.50 1ry9 h SER 68 Cb 0.34 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.43 1ry9 h SER 68 CO 0.00 0.00 0.00 -1.20 -0.87 0.00 0.00 176.83 174.76 1ry9 n SER 69 N -3.07 2.08 -0.17 4.97 7.64 -0.81 -4.76 113.62 119.50 1ry9 n SER 69 Ca 0.02 -1.56 -0.02 0.00 1.01 0.00 0.00 58.87 58.32 1ry9 n SER 69 Cb 0.42 -0.05 0.08 0.00 -1.01 0.00 0.00 64.21 63.64 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 1.87 0.61 -0.32 -0.43 0.00 -0.00 -1.13 119.26 119.85 1ry9 h ALA 70 Ca 0.00 0.11 0.02 0.00 0.00 0.00 0.00 54.91 55.04 1ry9 h ALA 70 Cb 0.48 0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.38 1ry9 h ALA 70 CO 0.00 -0.29 0.15 -0.92 0.00 0.00 0.00 179.25 178.19 1ry9 h TYR 71 N 0.26 0.28 -0.73 0.00 5.03 -1.85 0.36 116.97 120.32 1ry9 h TYR 71 Ca 0.27 0.01 -0.05 0.00 2.58 0.00 0.00 58.73 61.54 1ry9 h TYR 71 Cb 0.36 -0.08 -0.03 0.00 1.55 0.00 0.00 36.73 38.53 1ry9 h TYR 71 CO -0.22 0.15 0.25 -0.91 -1.32 0.00 0.00 178.16 176.10 1ry9 h ASN 72 N 0.32 1.05 -0.29 -2.11 2.35 -1.78 -1.80 115.58 113.33 1ry9 h ASN 72 Ca 0.13 -0.20 -0.17 0.00 -0.55 0.00 0.00 56.30 55.52 1ry9 h ASN 72 Cb 0.06 -0.27 -0.00 0.00 0.05 0.00 0.00 38.32 38.15 1ry9 h ASN 72 CO -0.10 0.97 -0.47 0.40 -1.65 0.00 0.00 177.43 176.58 1ry9 h ILE 73 N 1.08 1.28 -0.38 2.81 2.04 -0.91 -2.23 117.51 121.19 1ry9 h ILE 73 Ca 0.24 -1.65 -0.06 0.00 1.00 0.00 0.00 64.86 64.38 1ry9 h ILE 73 Cb 0.28 1.53 -0.01 0.00 -0.74 0.00 0.00 36.82 37.87 1ry9 h ILE 73 CO -0.01 0.54 -0.00 0.25 0.00 0.00 0.00 178.15 178.93 1ry9 h LEU 74 N 0.68 0.66 -1.02 1.44 5.85 -0.83 -0.95 115.31 121.15 1ry9 h LEU 74 Ca 0.04 -0.31 0.00 0.00 0.84 0.00 0.00 57.88 58.45 1ry9 h LEU 74 Cb 1.06 -0.18 -0.05 0.00 0.37 0.00 0.00 40.66 41.87 1ry9 h LEU 74 CO 0.11 0.81 0.60 0.78 -0.34 0.00 0.00 178.44 180.40 1ry9 h ASN 75 N 0.50 1.11 -0.27 1.25 2.35 -1.29 -0.89 115.58 118.34 1ry9 h ASN 75 Ca 0.11 -0.05 -0.01 0.00 -0.55 0.00 0.00 56.30 55.80 1ry9 h ASN 75 Cb 0.47 -0.28 -0.01 0.00 0.05 0.00 0.00 38.32 38.55 1ry9 h ASN 75 CO 0.02 0.83 0.13 0.25 -1.65 0.00 0.00 177.43 177.02 1ry9 h LEU 76 N 1.30 0.35 -1.38 1.61 5.85 -1.06 -3.00 115.31 118.98 1ry9 h LEU 76 Ca 0.34 -0.12 -0.05 0.00 0.84 0.00 0.00 57.88 58.90 1ry9 h LEU 76 Cb -0.10 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 40.83 1ry9 h LEU 76 CO -0.07 0.37 -0.22 0.24 -0.34 0.00 0.00 178.44 178.42 1ry9 h MET 77 N 0.31 0.00 -0.00 1.25 2.86 -0.53 -2.49 114.93 116.33 1ry9 h MET 77 Ca 0.09 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.73 1ry9 h MET 77 Cb 0.11 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.77 1ry9 h MET 77 CO -0.01 0.22 -0.14 1.28 1.06 0.00 0.00 176.91 179.32 1ry9 n LEU 78 N -3.54 0.35 -4.69 1.22 4.77 -0.40 -4.65 117.00 110.05 1ry9 n LEU 78 Ca -0.01 0.13 -0.42 0.00 -0.03 0.00 0.00 56.01 55.68 1ry9 n LEU 78 Cb 0.37 -0.26 -0.03 0.00 -2.33 0.00 0.00 43.42 41.17 1ry9 n LEU 78 CO 0.33 0.07 1.08 -0.04 -1.33 0.00 0.00 177.39 177.50 1ry9 s MET 79 N -2.67 4.30 0.57 3.23 -1.94 -0.94 -4.98 119.30 116.88 1ry9 s MET 79 Ca 0.23 1.94 -0.20 0.00 -1.71 0.00 0.00 55.69 55.95 1ry9 s MET 79 Cb 0.19 -3.52 -0.04 0.00 2.01 0.00 0.00 34.83 33.47 1ry9 s MET 79 CO 0.52 -0.53 1.23 -0.80 -0.01 0.00 0.00 175.02 175.43 1ry9 s ASN 80 N 1.71 5.28 -0.24 3.03 0.01 -1.26 -4.56 114.94 118.92 1ry9 s ASN 80 Ca 0.63 2.45 -0.02 0.00 -0.71 0.00 0.00 52.86 55.21 1ry9 s ASN 80 Cb -0.31 -2.61 0.07 0.00 0.41 0.00 0.00 41.25 38.81 1ry9 s ASN 80 CO 0.27 -1.53 0.04 0.12 -1.51 0.00 0.00 177.10 174.48 1ry9 s PHE 81 N -1.53 1.48 0.56 2.20 5.36 0.19 -4.96 117.98 121.29 1ry9 s PHE 81 Ca 0.75 -1.29 0.24 0.00 -0.96 0.00 0.00 56.93 55.68 1ry9 s PHE 81 Cb -0.32 -1.33 1.61 0.00 -0.34 0.00 0.00 43.02 42.63 1ry9 s PHE 81 CO 0.36 -0.72 2.21 0.77 -1.46 0.00 0.00 175.22 176.37 1ry9 h SER 82 N 8.14 0.00 0.37 6.13 0.02 -1.95 -2.75 113.55 123.51 1ry9 h SER 82 Ca -0.16 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.79 1ry9 h SER 82 Cb 1.08 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.62 1ry9 h SER 82 CO 0.39 0.00 -0.41 -1.22 -1.14 0.00 0.00 176.83 174.46 1ry9 n TYR 83 N -4.11 0.00 -2.75 3.45 4.02 -1.26 -4.90 117.16 111.60 1ry9 n TYR 83 Ca -0.03 0.00 -0.35 0.00 -0.01 0.00 0.00 57.90 57.51 1ry9 n TYR 83 Cb 0.10 -0.19 -0.06 0.00 -0.02 0.00 0.00 39.34 39.17 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 -2.78 7.09 0.51 7.72 0.15 -1.04 -1.55 113.70 123.81 1ry9 s SER 84 Ca 0.17 1.82 0.22 0.00 0.70 0.00 0.00 55.95 58.86 1ry9 s SER 84 Cb 0.18 -2.57 1.35 0.00 -1.71 0.00 0.00 66.02 63.28 1ry9 s SER 84 CO 0.62 -0.25 2.08 0.40 1.20 0.00 0.00 173.24 177.30 1ry9 h ILE 85 N 2.28 0.79 -0.19 6.45 2.04 -1.56 -2.57 117.51 124.74 1ry9 h ILE 85 Ca -0.48 -0.44 0.00 0.00 1.00 0.00 0.00 64.86 64.94 1ry9 h ILE 85 Cb 1.19 1.26 0.00 0.00 -0.74 0.00 0.00 36.82 38.53 1ry9 h ILE 85 CO 0.63 0.11 0.00 -0.46 0.00 0.00 0.00 178.15 178.43 1ry9 n ASN 86 N -3.97 2.89 -0.16 1.72 6.94 -1.26 -4.98 115.26 116.43 1ry9 n ASN 86 Ca -0.02 -2.44 -0.02 0.00 -0.02 0.00 0.00 54.58 52.08 1ry9 n ASN 86 Cb 0.20 -0.29 -0.01 0.00 -2.36 0.00 0.00 39.78 37.32 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 -0.29 -0.92 -4.10 -3.83 2.13 -0.97 -4.98 120.64 107.69 1ry9 n GLU 87 Ca 0.12 0.37 -0.09 0.00 0.66 0.00 0.00 57.16 58.22 1ry9 n GLU 87 Cb 0.54 -4.14 -0.10 0.00 0.27 0.00 0.00 31.44 28.01 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 -0.47 2.45 -0.05 4.31 1.02 -1.25 -0.64 118.68 124.04 1ry9 s LEU 88 Ca 0.00 -0.91 -0.08 0.00 0.02 0.00 0.00 54.13 53.16 1ry9 s LEU 88 Cb 0.00 0.09 -0.05 0.00 0.02 0.00 0.00 46.19 46.25 1ry9 s LEU 88 CO 0.00 -0.50 0.24 -0.69 0.02 0.00 0.00 176.35 175.42 1ry9 s VAL 89 N -3.35 5.34 0.12 -1.59 1.01 -1.26 -4.78 120.40 115.89 1ry9 s VAL 89 Ca 0.04 0.30 0.04 0.00 0.00 0.00 0.00 61.98 62.36 1ry9 s VAL 89 Cb 0.04 -3.52 -0.04 0.00 0.00 0.00 0.00 36.38 32.86 1ry9 s VAL 89 CO -0.07 0.51 0.13 -1.61 0.00 0.00 0.00 175.10 174.06 1ry9 s GLU 90 N -1.33 2.97 -0.16 2.72 2.02 0.12 -4.93 118.70 120.11 1ry9 s GLU 90 Ca 0.22 -0.74 0.01 0.00 0.02 0.00 0.00 54.97 54.47 1ry9 s GLU 90 Cb -0.13 -2.73 0.01 0.00 0.10 0.00 0.00 34.13 31.37 1ry9 s GLU 90 CO 0.11 0.53 -0.18 -0.51 0.02 0.00 0.00 175.26 175.23 1ry9 s LEU 91 N -2.76 2.29 -0.04 1.80 1.43 -1.26 -0.60 118.68 119.55 1ry9 s LEU 91 Ca 0.31 -0.56 0.07 0.00 -1.03 0.00 0.00 54.13 52.91 1ry9 s LEU 91 Cb -0.11 -1.52 -0.02 0.00 0.03 0.00 0.00 46.19 44.57 1ry9 s LEU 91 CO 0.23 0.05 -0.23 -1.00 0.23 0.00 0.00 176.35 175.63 1ry9 s HIS 92 N 1.02 2.43 -0.09 0.29 3.76 0.10 -4.96 115.29 117.85 1ry9 s HIS 92 Ca -0.02 -0.45 0.02 0.00 -0.15 0.00 0.00 55.06 54.47 1ry9 s HIS 92 Cb -0.15 -1.55 -0.02 0.00 1.11 0.00 0.00 32.58 31.98 1ry9 s HIS 92 CO -0.05 -0.04 -0.16 0.50 -0.85 0.00 0.00 174.74 174.14 1ry9 s ARG 93 N -0.52 2.99 0.40 1.40 3.52 -1.26 -0.25 118.95 125.23 1ry9 s ARG 93 Ca 0.07 -0.74 0.04 0.00 -0.13 0.00 0.00 55.73 54.96 1ry9 s ARG 93 Cb -0.11 -2.46 -0.04 0.00 -1.56 0.00 0.00 34.95 30.78 1ry9 s ARG 93 CO 0.00 0.35 0.07 -1.54 -0.81 0.00 0.00 175.30 173.38 1ry9 s SER 94 N -0.02 2.94 0.30 -2.12 1.04 -0.17 -5.02 113.70 110.65 1ry9 s SER 94 Ca -0.05 -1.54 0.01 0.00 0.48 0.00 0.00 55.95 54.85 1ry9 s SER 94 Cb -0.14 0.23 0.54 0.00 0.10 0.00 0.00 66.02 66.75 1ry9 s SER 94 CO 0.04 -0.77 1.90 0.44 0.98 0.00 0.00 173.24 175.83 1ry9 h ASP 95 N 1.83 0.91 0.17 7.02 5.19 -2.03 -3.25 116.42 126.27 1ry9 h ASP 95 Ca -0.39 0.01 -0.35 0.00 -0.62 0.00 0.00 57.03 55.68 1ry9 h ASP 95 Cb 1.27 -0.18 -0.04 0.00 0.18 0.00 0.00 39.33 40.56 1ry9 h ASP 95 CO 0.66 0.56 -2.05 -0.62 -3.12 0.00 0.00 179.24 174.67 1ry9 n GLU 96 N -4.51 0.71 -4.28 3.56 1.02 -1.26 -4.80 120.64 111.08 1ry9 n GLU 96 Ca 0.15 0.23 -0.18 0.00 -0.02 0.00 0.00 57.16 57.33 1ry9 n GLU 96 Cb 0.23 -1.68 -0.11 0.00 -0.02 0.00 0.00 31.44 29.87 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 -2.55 1.51 -0.28 -0.32 4.12 -1.23 -1.16 117.35 117.43 1ry9 s TYR 97 Ca -0.20 -0.57 -0.04 0.00 0.02 0.00 0.00 57.07 56.27 1ry9 s TYR 97 Cb 0.07 -0.76 0.02 0.00 -1.52 0.00 0.00 41.96 39.77 1ry9 s TYR 97 CO 0.76 0.21 0.03 -1.17 0.02 0.00 0.00 175.55 175.39 1ry9 s LEU 98 N -2.76 3.67 -0.17 -1.29 2.96 0.09 -1.00 118.68 120.18 1ry9 s LEU 98 Ca 0.14 -0.86 -0.04 0.00 -0.22 0.00 0.00 54.13 53.14 1ry9 s LEU 98 Cb -0.03 -1.79 -0.03 0.00 0.50 0.00 0.00 46.19 44.84 1ry9 s LEU 98 CO 0.04 -0.19 -0.02 -1.58 -1.32 0.00 0.00 176.35 173.28 1ry9 s GLN 99 N 1.41 3.69 -0.14 1.98 0.74 0.66 -1.16 119.66 126.83 1ry9 s GLN 99 Ca 0.01 -0.50 -0.18 0.00 0.05 0.00 0.00 55.36 54.74 1ry9 s GLN 99 Cb -0.17 -2.99 -0.04 0.00 1.10 0.00 0.00 33.01 30.91 1ry9 s GLN 99 CO -0.00 0.19 0.46 -1.17 -0.55 0.00 0.00 175.29 174.22 1ry9 s LEU 100 N 0.52 4.24 -0.04 3.68 2.96 -0.41 -0.72 118.68 128.89 1ry9 s LEU 100 Ca -0.02 0.74 -0.05 0.00 -0.22 0.00 0.00 54.13 54.58 1ry9 s LEU 100 Cb -0.14 -2.65 0.01 0.00 0.50 0.00 0.00 46.19 43.91 1ry9 s LEU 100 CO 0.02 -0.03 0.13 -0.60 -1.32 0.00 0.00 176.35 174.55 1ry9 s ARG 101 N 0.86 0.20 -0.08 1.98 3.52 0.23 -1.10 118.95 124.57 1ry9 s ARG 101 Ca 0.24 0.09 -0.09 0.00 -0.13 0.00 0.00 55.73 55.85 1ry9 s ARG 101 Cb -0.15 0.09 0.02 0.00 -1.56 0.00 0.00 34.95 33.36 1ry9 s ARG 101 CO 0.09 -0.03 0.25 0.54 -0.81 0.00 0.00 175.30 175.34 1ry9 s VAL 102 N -0.15 0.01 -0.20 7.11 0.11 -0.11 0.14 120.40 127.30 1ry9 s VAL 102 Ca -0.02 -0.11 -0.05 0.00 -2.93 0.00 0.00 61.98 58.87 1ry9 s VAL 102 Cb -0.02 -0.39 -0.02 0.00 -1.53 0.00 0.00 36.38 34.42 1ry9 s VAL 102 CO 0.00 -0.06 -0.01 -0.69 -3.33 0.00 0.00 175.10 171.01 1ry9 s VAL 103 N -0.15 3.81 -0.01 2.04 1.01 -1.26 -0.69 120.40 125.15 1ry9 s VAL 103 Ca -0.03 -0.36 -0.16 0.00 0.00 0.00 0.00 61.98 61.43 1ry9 s VAL 103 Cb -0.03 -2.72 -0.06 0.00 0.00 0.00 0.00 36.38 33.58 1ry9 s VAL 103 CO 0.01 0.43 0.44 -0.63 0.00 0.00 0.00 175.10 175.35 1ry9 s ILE 104 N 1.06 5.02 0.53 2.22 -1.09 0.23 -1.44 121.20 127.73 1ry9 s ILE 104 Ca 0.02 0.90 -0.22 0.00 -2.23 0.00 0.00 60.65 59.12 1ry9 s ILE 104 Cb -0.14 -3.75 -0.05 0.00 -1.58 0.00 0.00 42.46 36.93 1ry9 s ILE 104 CO 0.01 0.53 1.30 -0.54 -1.23 0.00 0.00 174.94 175.01 1ry9 s LYS 105 N -0.74 3.26 0.63 2.79 1.02 -0.59 -4.17 119.74 121.94 1ry9 s LYS 105 Ca 0.25 2.10 0.38 0.00 0.02 0.00 0.00 55.97 58.71 1ry9 s LYS 105 Cb -0.17 -2.26 2.15 0.00 -0.52 0.00 0.00 37.83 37.04 1ry9 s LYS 105 CO 0.13 -1.05 2.32 0.22 -0.92 0.00 0.00 175.35 176.05 1ry9 h ASP 106 N 1.53 0.00 0.32 2.83 3.58 -1.94 -2.31 116.42 120.44 1ry9 h ASP 106 Ca -0.50 0.00 -0.00 0.00 0.42 0.00 0.00 57.03 56.94 1ry9 h ASP 106 Cb 1.29 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 42.34 1ry9 h ASP 106 CO 0.58 0.00 -0.01 0.44 -2.88 0.00 0.00 179.24 177.37 1ry9 h ASP 107 N 0.00 0.00 -0.28 2.28 5.19 -1.97 -3.12 116.42 118.52 1ry9 h ASP 107 Ca -0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 1ry9 h ASP 107 Cb 0.00 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.51 1ry9 h ASP 107 CO 0.00 0.01 0.00 -1.22 -3.12 0.00 0.00 179.24 174.91 1ry9 n TYR 108 N -3.14 0.42 -1.15 4.55 4.01 -0.87 -4.65 117.16 116.34 1ry9 n TYR 108 Ca -0.02 -0.54 0.07 0.00 -0.16 0.00 0.00 57.90 57.25 1ry9 n TYR 108 Cb 0.15 -0.06 0.21 0.00 -0.31 0.00 0.00 39.34 39.33 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 0.24 2.20 -1.21 -0.72 0.24 -1.18 -4.17 118.33 113.73 1ry9 n VAL 109 Ca 0.11 -2.27 0.05 0.00 -2.04 0.00 0.00 64.34 60.19 1ry9 n VAL 109 Cb 0.44 -0.26 0.08 0.00 -1.47 0.00 0.00 33.84 32.62 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 -0.98 0.00 -3.45 6.34 8.25 -1.26 -4.96 115.22 119.16 1ry9 n HIS 110 Ca 0.21 -0.60 -0.14 0.00 -0.26 0.00 0.00 57.72 56.94 1ry9 n HIS 110 Cb 0.82 -0.10 -0.11 0.00 1.12 0.00 0.00 29.99 31.72 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 -1.96 0.77 0.50 0.41 3.68 -1.26 -5.04 116.67 113.76 1ry9 s ASP 111 Ca 0.17 0.06 0.20 0.00 2.13 0.00 0.00 52.55 55.12 1ry9 s ASP 111 Cb 0.15 0.75 1.29 0.00 -1.45 0.00 0.00 42.92 43.66 1ry9 s ASP 111 CO 0.02 -0.31 2.09 1.23 0.13 0.00 0.00 175.17 178.33 1ry9 h GLY 112 N 8.25 0.00 0.95 2.66 0.00 -1.92 0.03 103.07 113.04 1ry9 h GLY 112 Ca -0.18 0.00 -0.14 0.00 0.00 0.00 0.00 47.33 47.02 1ry9 h GLY 112 CO 0.26 0.00 -0.40 -2.22 0.00 0.00 0.00 176.54 174.18 1ry9 h ILE 113 N 0.00 1.32 -0.30 2.60 2.04 -1.93 -1.02 117.51 120.23 1ry9 h ILE 113 Ca -0.00 -1.63 -0.11 0.00 1.00 0.00 0.00 64.86 64.12 1ry9 h ILE 113 Cb 0.19 1.85 -0.01 0.00 -0.74 0.00 0.00 36.82 38.12 1ry9 h ILE 113 CO 0.01 0.51 -0.25 0.58 0.00 0.00 0.00 178.15 179.00 1ry9 h VAL 114 N 0.32 1.30 0.00 1.67 2.07 -1.83 -2.95 116.25 116.83 1ry9 h VAL 114 Ca 0.01 -1.40 -0.03 0.00 0.82 0.00 0.00 66.70 66.09 1ry9 h VAL 114 Cb 1.00 1.54 -0.00 0.00 -1.52 0.00 0.00 31.29 32.31 1ry9 h VAL 114 CO 0.09 0.45 -0.16 0.15 0.02 0.00 0.00 177.57 178.12 1ry9 h PHE 115 N 0.44 0.00 -0.79 1.57 3.04 -0.97 -1.41 116.94 118.82 1ry9 h PHE 115 Ca 0.05 0.00 -0.03 0.00 3.98 0.00 0.00 57.97 61.98 1ry9 h PHE 115 Cb 0.81 0.00 -0.04 0.00 2.56 0.00 0.00 35.95 39.28 1ry9 h PHE 115 CO 0.07 0.16 0.38 0.00 -2.02 0.00 0.00 178.31 176.90 1ry9 h ALA 116 N 1.84 1.19 -0.38 2.41 0.00 -1.00 -0.92 119.26 122.40 1ry9 h ALA 116 Ca -0.00 -0.15 -0.11 0.00 0.00 0.00 0.00 54.91 54.65 1ry9 h ALA 116 Cb 0.29 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 1ry9 h ALA 116 CO 0.02 0.62 -0.21 1.49 0.00 0.00 0.00 179.25 181.17 1ry9 h GLU 117 N 1.12 0.74 -0.26 0.00 4.57 -1.21 -0.79 114.58 118.75 1ry9 h GLU 117 Ca 0.27 -0.29 -0.01 0.00 -1.18 0.00 0.00 59.36 58.15 1ry9 h GLU 117 Cb 0.10 -0.04 -0.01 0.00 -0.16 0.00 0.00 28.75 28.64 1ry9 h GLU 117 CO -0.04 0.89 0.11 0.82 -1.18 0.00 0.00 179.01 179.62 1ry9 h ILE 118 N 0.65 1.16 -0.73 2.32 2.04 -1.04 -0.41 117.51 121.50 1ry9 h ILE 118 Ca 0.09 -0.49 -0.06 0.00 1.00 0.00 0.00 64.86 65.41 1ry9 h ILE 118 Cb 0.70 1.00 -0.03 0.00 -0.74 0.00 0.00 36.82 37.75 1ry9 h ILE 118 CO 0.05 0.17 0.24 -0.07 0.00 0.00 0.00 178.15 178.54 1ry9 h LEU 119 N 0.28 1.05 -0.52 1.44 3.38 -1.07 -0.28 115.31 119.58 1ry9 h LEU 119 Ca 0.09 -0.20 -0.01 0.00 0.09 0.00 0.00 57.88 57.85 1ry9 h LEU 119 Cb 0.16 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.61 1ry9 h LEU 119 CO -0.01 0.97 0.29 -0.74 0.09 0.00 0.00 178.44 179.05 1ry9 h HIS 120 N 1.07 0.72 -0.29 1.13 2.76 -0.91 -0.20 115.15 119.42 1ry9 h HIS 120 Ca 0.24 -0.02 -0.17 0.00 -2.20 0.00 0.00 60.37 58.22 1ry9 h HIS 120 Cb 0.29 -0.23 -0.00 0.00 1.55 0.00 0.00 27.41 29.02 1ry9 h HIS 120 CO 0.02 0.52 -0.49 0.93 -1.30 0.00 0.00 177.93 177.62 1ry9 h GLU 121 N 0.70 0.81 -0.78 5.26 5.08 -0.84 -1.38 114.58 123.43 1ry9 h GLU 121 Ca 0.19 -0.48 -0.04 0.00 -1.00 0.00 0.00 59.36 58.03 1ry9 h GLU 121 Cb 0.04 0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.30 1ry9 h GLU 121 CO -0.03 1.11 0.34 0.35 -1.00 0.00 0.00 179.01 179.78 1ry9 h PHE 122 N 0.64 1.15 -0.70 4.33 3.04 -0.90 -1.12 116.94 123.37 1ry9 h PHE 122 Ca 0.03 -0.07 -0.01 0.00 3.98 0.00 0.00 57.97 61.90 1ry9 h PHE 122 Cb 1.07 -0.35 -0.03 0.00 2.56 0.00 0.00 35.95 39.20 1ry9 h PHE 122 CO 0.06 0.85 0.40 -0.92 -2.02 0.00 0.00 178.31 176.68 1ry9 h TYR 123 N 1.11 0.95 -0.50 0.41 3.20 -0.82 -0.78 116.97 120.54 1ry9 h TYR 123 Ca 0.26 -0.02 -0.05 0.00 3.14 0.00 0.00 58.73 62.06 1ry9 h TYR 123 Cb 0.16 -0.31 -0.02 0.00 1.54 0.00 0.00 36.73 38.11 1ry9 h TYR 123 CO 0.01 0.67 0.09 1.96 -1.64 0.00 0.00 178.16 179.25 1ry9 h GLN 124 N 0.96 0.78 -0.38 1.82 4.20 -0.61 0.38 115.11 122.26 1ry9 h GLN 124 Ca 0.25 -0.17 -0.12 0.00 0.06 0.00 0.00 58.65 58.67 1ry9 h GLN 124 Cb 0.02 -0.11 -0.01 0.00 0.30 0.00 0.00 27.48 27.67 1ry9 h GLN 124 CO -0.04 0.72 -0.24 0.00 -0.67 0.00 0.00 178.83 178.60 1ry9 h ARG 125 N 0.74 0.76 -0.66 1.46 2.47 -0.74 -2.21 114.38 116.21 1ry9 h ARG 125 Ca 0.16 -0.31 -0.05 0.00 -1.26 0.00 0.00 59.98 58.51 1ry9 h ARG 125 Cb 0.32 -0.03 -0.03 0.00 -1.65 0.00 0.00 29.97 28.58 1ry9 h ARG 125 CO 0.00 0.93 0.21 0.52 0.56 0.00 0.00 179.97 182.19 1ry9 h MET 126 N 0.66 1.02 -0.75 0.04 2.86 -0.30 -2.06 114.93 116.41 1ry9 h MET 126 Ca 0.09 -0.22 0.01 0.00 -2.06 0.00 0.00 59.70 57.52 1ry9 h MET 126 Cb 0.76 -0.15 -0.04 0.00 0.06 0.00 0.00 31.60 32.23 1ry9 h MET 126 CO 0.06 0.89 0.49 0.93 1.06 0.00 0.00 176.91 180.34 1ry9 h GLU 127 N 0.96 0.98 -0.26 1.72 5.08 -0.71 0.19 114.58 122.53 1ry9 h GLU 127 Ca 0.21 -0.06 -0.03 0.00 -1.00 0.00 0.00 59.36 58.48 1ry9 h GLU 127 Cb 0.29 -0.22 -0.01 0.00 0.50 0.00 0.00 28.75 29.31 1ry9 h GLU 127 CO -0.01 0.65 0.04 0.82 -1.00 0.00 0.00 179.01 179.51 1ry9 h ILE 128 N 1.01 1.23 -0.42 3.13 2.04 -1.15 -1.52 117.51 121.83 1ry9 h ILE 128 Ca 0.28 -0.77 -0.05 0.00 1.00 0.00 0.00 64.86 65.32 1ry9 h ILE 128 Cb -0.11 1.23 -0.02 0.00 -0.74 0.00 0.00 36.82 37.19 1ry9 h ILE 128 CO -0.06 0.25 0.08 0.25 0.00 0.00 0.00 178.15 178.66 1ry9 h LEU 129 N 0.24 0.66 -1.27 1.44 5.85 -1.14 -2.92 115.31 118.17 1ry9 h LEU 129 Ca 0.08 -0.25 0.03 0.00 0.84 0.00 0.00 57.88 58.58 1ry9 h LEU 129 Cb 0.33 -0.17 -0.04 0.00 0.37 0.00 0.00 40.66 41.14 1ry9 h LEU 129 CO 0.00 0.74 0.51 -1.13 -0.34 0.00 0.00 178.44 178.23 1ry9 h ASN 130 N 0.54 0.82 0.78 1.25 -1.24 -0.52 -2.17 115.58 115.04 1ry9 h ASN 130 Ca 0.13 -0.01 -0.03 0.00 0.71 0.00 0.00 56.30 57.10 1ry9 h ASN 130 Cb 0.36 -0.19 -0.00 0.00 0.73 0.00 0.00 38.32 39.22 1ry9 h ASN 130 CO 0.01 0.56 -0.13 1.23 -1.29 0.00 0.00 177.43 177.81 1ry9 h GLY 131 N 0.95 0.00 -1.53 1.57 0.00 -1.09 -3.02 103.07 99.96 1ry9 h GLY 131 Ca 0.31 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.64 1ry9 h GLY 131 CO -0.09 0.00 0.00 3.33 0.00 0.00 0.00 176.54 179.78 1ry9 n VAL 132 N -3.35 0.55 0.74 4.60 0.24 -0.86 -5.11 118.33 115.14 1ry9 n VAL 132 Ca -0.00 -0.78 0.09 0.00 -2.04 0.00 0.00 64.34 61.61 1ry9 n VAL 132 Cb 0.34 0.87 0.07 0.00 -1.47 0.00 0.00 33.84 33.65 1ry9 n VAL 132 CO 0.00 0.00 0.00 0.18 -2.14 0.00 0.00 176.83 174.87