#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 0.26 -0.01 7.83 1.04 -1.26 -4.95 113.70 116.61 1ry9 s SER 2 Ca 0.00 -1.15 0.16 0.00 0.48 0.00 0.00 55.95 55.43 1ry9 s SER 2 Cb 0.00 0.63 0.46 0.00 0.10 0.00 0.00 66.02 67.22 1ry9 s SER 2 CO 0.00 -1.24 1.38 -0.46 0.98 0.00 0.00 173.24 173.90 1ry9 n ASN 3 N -0.83 2.86 -0.21 7.02 0.23 -0.13 -4.51 115.26 119.68 1ry9 n ASN 3 Ca -0.01 -2.04 -0.07 0.00 -0.53 0.00 0.00 54.58 51.92 1ry9 n ASN 3 Cb 0.62 -0.36 0.03 0.00 -2.08 0.00 0.00 39.78 37.98 1ry9 n ASN 3 CO 0.00 0.00 0.00 0.16 -0.93 0.00 0.00 177.26 176.49 1ry9 h ILE 4 N 3.01 1.22 -0.56 1.53 -0.00 -1.97 0.27 117.51 121.00 1ry9 h ILE 4 Ca 0.00 -0.66 -0.07 0.00 -0.00 0.00 0.00 64.86 64.13 1ry9 h ILE 4 Cb 0.74 0.56 -0.02 0.00 -0.00 0.00 0.00 36.82 38.10 1ry9 h ILE 4 CO 0.02 0.26 0.05 0.78 -0.00 0.00 0.00 178.15 179.26 1ry9 h ASN 5 N 0.80 0.89 -0.55 2.16 2.35 -1.99 -1.97 115.58 117.27 1ry9 h ASN 5 Ca 0.20 -0.21 -0.10 0.00 -0.55 0.00 0.00 56.30 55.63 1ry9 h ASN 5 Cb 0.17 -0.24 -0.02 0.00 0.05 0.00 0.00 38.32 38.28 1ry9 h ASN 5 CO -0.02 0.92 -0.05 0.25 -1.65 0.00 0.00 177.43 176.88 1ry9 h LEU 6 N 0.87 1.01 -0.58 1.61 5.85 -1.73 -1.69 115.31 120.65 1ry9 h LEU 6 Ca 0.17 -0.30 -0.03 0.00 0.84 0.00 0.00 57.88 58.55 1ry9 h LEU 6 Cb 0.44 -0.27 -0.03 0.00 0.37 0.00 0.00 40.66 41.17 1ry9 h LEU 6 CO 0.02 1.09 0.23 0.58 -0.34 0.00 0.00 178.44 180.02 1ry9 h VAL 7 N 0.92 1.23 -0.21 1.05 2.07 -0.16 -1.21 116.25 119.94 1ry9 h VAL 7 Ca 0.16 -0.70 -0.09 0.00 0.82 0.00 0.00 66.70 66.89 1ry9 h VAL 7 Cb 0.60 0.60 -0.01 0.00 -1.52 0.00 0.00 31.29 30.96 1ry9 h VAL 7 CO 0.04 0.27 -0.26 -0.61 0.02 0.00 0.00 177.57 177.03 1ry9 h GLN 8 N 0.80 0.39 -0.29 1.57 5.75 -1.23 0.77 115.11 122.86 1ry9 h GLN 8 Ca 0.19 -0.14 -0.05 0.00 -0.15 0.00 0.00 58.65 58.51 1ry9 h GLN 8 Cb 0.20 -0.03 -0.01 0.00 1.07 0.00 0.00 27.48 28.71 1ry9 h GLN 8 CO -0.02 0.62 -0.00 1.25 -2.65 0.00 0.00 178.83 178.04 1ry9 h LEU 9 N 0.34 0.50 -0.47 -2.39 5.85 -0.91 -1.79 115.31 116.45 1ry9 h LEU 9 Ca 0.05 -0.31 -0.11 0.00 0.84 0.00 0.00 57.88 58.35 1ry9 h LEU 9 Cb 0.65 -0.13 -0.01 0.00 0.37 0.00 0.00 40.66 41.53 1ry9 h LEU 9 CO 0.05 0.69 -0.13 0.58 -0.34 0.00 0.00 178.44 179.28 1ry9 h VAL 10 N 0.30 1.27 -0.32 1.05 2.07 -0.93 -1.40 116.25 118.29 1ry9 h VAL 10 Ca 0.08 -1.27 0.01 0.00 0.82 0.00 0.00 66.70 66.34 1ry9 h VAL 10 Cb 0.43 1.12 -0.02 0.00 -1.52 0.00 0.00 31.29 31.30 1ry9 h VAL 10 CO 0.01 0.44 0.20 0.03 0.02 0.00 0.00 177.57 178.27 1ry9 h ARG 11 N 0.76 0.40 -0.66 1.57 3.08 -0.82 -1.15 114.38 117.56 1ry9 h ARG 11 Ca 0.12 -0.02 -0.04 0.00 0.07 0.00 0.00 59.98 60.11 1ry9 h ARG 11 Cb 0.69 -0.09 -0.03 0.00 0.08 0.00 0.00 29.97 30.62 1ry9 h ARG 11 CO 0.05 0.26 0.27 -0.44 -1.07 0.00 0.00 179.97 179.04 1ry9 h ASP 12 N 0.41 0.88 -0.21 7.04 3.32 -1.15 -2.25 116.42 124.46 1ry9 h ASP 12 Ca 0.12 -0.12 -0.06 0.00 0.02 0.00 0.00 57.03 56.99 1ry9 h ASP 12 Cb -0.03 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 39.29 1ry9 h ASP 12 CO -0.04 0.78 -0.10 0.28 -1.72 0.00 0.00 179.24 178.45 1ry9 h SER 13 N 0.94 0.45 0.16 6.45 0.02 -0.83 -2.30 113.55 118.44 1ry9 h SER 13 Ca 0.22 -0.41 -0.05 0.00 -0.84 0.00 0.00 61.79 60.72 1ry9 h SER 13 Cb 0.18 -0.13 -0.01 0.00 0.14 0.00 0.00 62.40 62.58 1ry9 h SER 13 CO -0.02 0.76 -0.20 -0.07 -1.14 0.00 0.00 176.83 176.16 1ry9 h LEU 14 N 0.15 0.07 -0.45 5.07 -0.00 -1.13 -1.61 115.31 117.42 1ry9 h LEU 14 Ca 0.05 -0.02 -0.07 0.00 -0.00 0.00 0.00 57.88 57.85 1ry9 h LEU 14 Cb 0.58 -0.02 -0.02 0.00 -0.00 0.00 0.00 40.66 41.21 1ry9 h LEU 14 CO 0.03 0.28 0.02 0.15 -0.00 0.00 0.00 178.44 178.91 1ry9 h PHE 15 N 0.07 0.84 0.00 1.13 3.57 -1.24 -0.83 116.94 120.48 1ry9 h PHE 15 Ca 0.01 -0.14 -0.06 0.00 3.53 0.00 0.00 57.97 61.31 1ry9 h PHE 15 Cb 0.39 -0.22 -0.01 0.00 2.79 0.00 0.00 35.95 38.90 1ry9 h PHE 15 CO 0.00 0.82 -0.30 1.15 -2.23 0.00 0.00 178.31 177.74 1ry9 h THR 16 N 0.62 0.84 0.00 4.41 2.02 -0.82 -2.70 112.91 117.29 1ry9 h THR 16 Ca 0.13 -1.23 -0.07 0.00 0.77 0.00 0.00 66.41 66.01 1ry9 h THR 16 Cb 0.47 1.75 -0.01 0.00 -1.74 0.00 0.00 68.15 68.62 1ry9 h THR 16 CO 0.02 0.30 -0.31 0.40 0.37 0.00 0.00 175.52 176.29 1ry9 h ILE 17 N 0.00 0.57 0.00 3.11 1.08 -1.02 -3.47 117.51 117.78 1ry9 h ILE 17 Ca -0.00 -1.67 0.00 0.00 -0.39 0.00 0.00 64.86 62.80 1ry9 h ILE 17 Cb 0.72 2.17 0.00 0.00 -3.07 0.00 0.00 36.82 36.65 1ry9 h ILE 17 CO 0.04 0.31 0.00 0.61 -0.69 0.00 0.00 178.15 178.42 1ry9 n GLY 18 N 0.95 1.36 3.82 5.37 0.00 -0.88 -5.10 105.19 110.72 1ry9 n GLY 18 Ca 0.02 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.72 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 -4.64 4.04 0.00 0.00 0.04 -1.26 -3.72 135.00 129.45 1ry9 s PRO 20 Ca 0.60 0.65 0.05 0.00 0.04 0.00 0.00 61.00 62.34 1ry9 s PRO 20 Cb -0.14 -2.62 0.28 0.00 0.04 0.00 0.00 34.50 32.06 1ry9 s PRO 20 CO 0.47 0.27 0.86 -2.30 0.04 0.00 0.00 177.00 176.33 1ry9 n PRO 21 N 0.05 0.13 0.04 0.56 -0.02 -1.26 -3.25 135.00 131.25 1ry9 n PRO 21 Ca 0.01 0.09 -0.13 0.00 -2.02 0.00 0.00 63.50 61.45 1ry9 n PRO 21 Cb 0.52 -1.50 -0.08 0.00 -0.02 0.00 0.00 33.50 32.42 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 -0.06 0.00 2.55 4.64 -1.99 -3.09 113.55 115.61 1ry9 h SER 22 Ca 0.00 -0.19 0.00 0.00 -0.47 0.00 0.00 61.79 61.13 1ry9 h SER 22 Cb 0.02 0.01 0.00 0.00 -0.31 0.00 0.00 62.40 62.12 1ry9 h SER 22 CO 0.00 0.16 0.14 2.30 -0.87 0.00 0.00 176.83 178.56 1ry9 n ILE 23 N -5.02 1.17 -2.80 0.95 -6.64 -1.20 -4.58 119.36 101.24 1ry9 n ILE 23 Ca -0.08 0.62 -0.39 0.00 -1.77 0.00 0.00 62.75 61.13 1ry9 n ILE 23 Cb 0.14 -1.62 -0.06 0.00 -1.44 0.00 0.00 39.64 36.66 1ry9 n ILE 23 CO 0.00 0.00 0.00 -0.63 -1.77 0.00 0.00 176.55 174.15 1ry9 s ILE 24 N -3.10 4.15 0.16 7.28 1.01 -1.17 -3.00 121.20 126.54 1ry9 s ILE 24 Ca -0.01 1.96 -0.15 0.00 0.00 0.00 0.00 60.65 62.44 1ry9 s ILE 24 Cb 0.02 -4.22 0.02 0.00 0.01 0.00 0.00 42.46 38.30 1ry9 s ILE 24 CO 0.08 0.41 0.43 0.28 0.00 0.00 0.00 174.94 176.13 1ry9 s THR 25 N -1.29 0.05 0.22 2.92 -1.32 -0.22 -4.97 115.64 111.03 1ry9 s THR 25 Ca 0.43 -0.80 -0.18 0.00 -1.21 0.00 0.00 61.69 59.92 1ry9 s THR 25 Cb -0.24 -1.45 0.02 0.00 -1.51 0.00 0.00 72.50 69.33 1ry9 s THR 25 CO 0.29 -0.24 0.57 1.51 -2.21 0.00 0.00 174.62 174.54 1ry9 s ASP 26 N -2.86 -0.25 -0.05 8.08 3.84 -1.26 -0.21 116.67 123.96 1ry9 s ASP 26 Ca 0.08 -0.56 -0.15 0.00 -0.00 0.00 0.00 52.55 51.92 1ry9 s ASP 26 Cb 0.01 0.62 -0.31 0.00 -1.38 0.00 0.00 42.92 41.86 1ry9 s ASP 26 CO -0.06 -1.14 0.73 -0.07 -0.00 0.00 0.00 175.17 174.62 1ry9 h LEU 27 N 2.14 0.57 0.00 2.11 4.07 -1.91 -3.50 115.31 118.80 1ry9 h LEU 27 Ca -0.26 -0.91 0.00 0.00 0.08 0.00 0.00 57.88 56.79 1ry9 h LEU 27 Cb 1.26 -0.19 -0.00 0.00 1.08 0.00 0.00 40.66 42.81 1ry9 h LEU 27 CO 0.33 1.68 0.02 -0.90 -1.08 0.00 0.00 178.44 178.49 1ry9 n ASP 28 N -3.79 -0.08 0.00 -0.43 3.85 -1.26 -5.03 116.55 109.82 1ry9 n ASP 28 Ca -0.22 -1.05 0.11 0.00 -0.71 0.00 0.00 54.79 52.92 1ry9 n ASP 28 Cb 1.00 0.13 0.67 0.00 -1.35 0.00 0.00 41.12 41.56 1ry9 n ASP 28 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.20 174.65 1ry9 n SER 29 N -0.76 0.00 0.00 -1.12 3.41 -1.26 -3.08 113.62 110.81 1ry9 n SER 29 Ca -0.00 -0.68 0.00 0.00 -0.26 0.00 0.00 58.87 57.93 1ry9 n SER 29 Cb 0.02 -0.01 0.00 0.00 -0.26 0.00 0.00 64.21 63.96 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 -1.01 0.00 -2.82 7.33 8.25 -1.26 -0.96 115.22 124.75 1ry9 n HIS 30 Ca 0.17 -0.17 -0.20 0.00 -0.26 0.00 0.00 57.72 57.26 1ry9 n HIS 30 Cb 0.08 -0.02 0.06 0.00 1.12 0.00 0.00 29.99 31.23 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 -0.33 5.06 0.58 0.41 1.04 -1.18 -4.90 113.70 114.38 1ry9 s SER 31 Ca 0.00 -0.44 -0.17 0.00 0.48 0.00 0.00 55.95 55.82 1ry9 s SER 31 Cb 0.00 -0.26 -0.04 0.00 0.10 0.00 0.00 66.02 65.82 1ry9 s SER 31 CO 0.00 -1.31 1.07 0.00 0.98 0.00 0.00 173.24 173.98 1ry9 s ALA 32 N -2.75 2.72 0.01 5.32 0.00 -1.26 -4.87 121.76 120.92 1ry9 s ALA 32 Ca 0.61 0.52 -0.08 0.00 0.00 0.00 0.00 51.96 53.00 1ry9 s ALA 32 Cb -0.08 -3.27 -0.05 0.00 0.00 0.00 0.00 23.12 19.73 1ry9 s ALA 32 CO 0.39 -0.78 0.30 0.42 0.00 0.00 0.00 175.76 176.09 1ry9 s ILE 33 N -2.24 5.24 -0.06 0.00 1.01 0.13 -4.32 121.20 120.96 1ry9 s ILE 33 Ca 0.66 0.33 0.03 0.00 0.00 0.00 0.00 60.65 61.67 1ry9 s ILE 33 Cb -0.18 -3.58 0.01 0.00 0.01 0.00 0.00 42.46 38.71 1ry9 s ILE 33 CO 0.33 0.41 -0.14 -0.89 0.00 0.00 0.00 174.94 174.65 1ry9 s THR 34 N -1.26 1.25 -0.30 2.92 2.01 0.70 -0.56 115.64 120.41 1ry9 s THR 34 Ca 0.27 -0.58 -0.02 0.00 0.31 0.00 0.00 61.69 61.67 1ry9 s THR 34 Cb -0.14 -1.11 0.04 0.00 0.01 0.00 0.00 72.50 71.30 1ry9 s THR 34 CO 0.15 0.38 0.01 -0.63 -0.69 0.00 0.00 174.62 173.83 1ry9 s ILE 35 N 0.40 3.09 0.26 1.82 1.01 0.08 -1.06 121.20 126.81 1ry9 s ILE 35 Ca -0.11 -1.29 -0.29 0.00 0.00 0.00 0.00 60.65 58.96 1ry9 s ILE 35 Cb -0.14 -2.74 -0.09 0.00 0.01 0.00 0.00 42.46 39.49 1ry9 s ILE 35 CO 0.03 -0.07 1.17 -0.44 0.00 0.00 0.00 174.94 175.63 1ry9 s SER 36 N 1.29 7.12 0.09 3.58 0.01 -1.16 -1.58 113.70 123.05 1ry9 s SER 36 Ca -0.04 2.34 0.10 0.00 1.31 0.00 0.00 55.95 59.66 1ry9 s SER 36 Cb -0.19 -2.63 -0.03 0.00 0.21 0.00 0.00 66.02 63.38 1ry9 s SER 36 CO -0.01 -0.28 -0.25 -0.76 0.41 0.00 0.00 173.24 172.35 1ry9 s LEU 37 N -1.16 2.24 0.00 2.44 1.43 -1.26 -4.96 118.68 117.41 1ry9 s LEU 37 Ca 0.48 -0.66 0.00 0.00 -1.03 0.00 0.00 54.13 52.92 1ry9 s LEU 37 Cb -0.34 -1.18 0.00 0.00 0.03 0.00 0.00 46.19 44.71 1ry9 s LEU 37 CO 0.42 0.19 0.90 0.47 0.23 0.00 0.00 176.35 178.56 1ry9 n ASP 38 N 1.36 0.00 -1.97 2.29 8.00 -1.26 -3.81 116.55 121.16 1ry9 n ASP 38 Ca -0.18 0.90 -0.24 0.00 0.71 0.00 0.00 54.79 55.99 1ry9 n ASP 38 Cb 0.53 -0.40 0.05 0.00 -0.02 0.00 0.00 41.12 41.28 1ry9 n ASP 38 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 1ry9 n SER 39 N -2.14 5.14 -3.92 -2.24 7.64 -1.26 -5.01 113.62 111.83 1ry9 n SER 39 Ca 0.00 -3.77 -0.09 0.00 1.01 0.00 0.00 58.87 56.02 1ry9 n SER 39 Cb 0.00 -0.48 -0.07 0.00 -1.01 0.00 0.00 64.21 62.65 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 -3.61 1.10 0.78 1.43 -1.94 -1.25 -5.13 119.30 110.69 1ry9 s MET 40 Ca 0.53 -1.10 -0.14 0.00 -1.71 0.00 0.00 55.69 53.27 1ry9 s MET 40 Cb 0.43 0.38 0.07 0.00 2.01 0.00 0.00 34.83 37.71 1ry9 s MET 40 CO 0.02 -0.40 1.19 -2.14 -0.01 0.00 0.00 175.02 173.68 1ry9 s PRO 41 N -3.94 1.86 0.62 2.03 0.02 -1.26 -4.35 135.00 129.99 1ry9 s PRO 41 Ca 0.14 1.69 -0.15 0.00 0.02 0.00 0.00 61.00 62.70 1ry9 s PRO 41 Cb 0.03 -1.81 -0.02 0.00 0.02 0.00 0.00 34.50 32.73 1ry9 s PRO 41 CO -0.03 -2.04 1.09 0.00 -0.33 0.00 0.00 177.00 175.69 1ry9 s ALA 42 N -2.18 2.61 -0.18 -1.55 0.00 -1.26 -4.54 121.76 114.66 1ry9 s ALA 42 Ca 0.72 0.48 -0.16 0.00 0.00 0.00 0.00 51.96 53.00 1ry9 s ALA 42 Cb -0.27 -3.28 -0.04 0.00 0.00 0.00 0.00 23.12 19.53 1ry9 s ALA 42 CO 0.49 -1.04 0.41 0.42 0.00 0.00 0.00 175.76 176.05 1ry9 s ILE 43 N -2.38 5.20 -0.04 0.00 1.01 -0.61 -4.44 121.20 119.94 1ry9 s ILE 43 Ca 0.65 0.76 -0.01 0.00 0.00 0.00 0.00 60.65 62.06 1ry9 s ILE 43 Cb -0.18 -3.75 -0.04 0.00 0.01 0.00 0.00 42.46 38.50 1ry9 s ILE 43 CO 0.39 0.28 0.05 0.20 0.00 0.00 0.00 174.94 175.86 1ry9 s ASN 44 N 0.89 5.55 -0.02 3.58 0.01 0.09 -0.75 114.94 124.29 1ry9 s ASN 44 Ca 0.21 0.16 -0.00 0.00 -0.71 0.00 0.00 52.86 52.51 1ry9 s ASN 44 Cb -0.15 -1.59 0.03 0.00 0.41 0.00 0.00 41.25 39.95 1ry9 s ASN 44 CO 0.08 0.32 0.04 -0.63 -1.51 0.00 0.00 177.10 175.40 1ry9 s ILE 45 N -1.07 -0.07 0.10 0.60 1.01 0.28 -1.37 121.20 120.68 1ry9 s ILE 45 Ca 0.19 0.24 -0.19 0.00 0.00 0.00 0.00 60.65 60.89 1ry9 s ILE 45 Cb -0.12 -0.10 0.05 0.00 0.01 0.00 0.00 42.46 42.30 1ry9 s ILE 45 CO 0.09 0.10 0.47 0.00 0.00 0.00 0.00 174.94 175.60 1ry9 s ALA 46 N 1.20 -1.16 -0.34 9.38 0.00 -0.77 0.18 121.76 130.24 1ry9 s ALA 46 Ca -0.08 0.25 -0.22 0.00 0.00 0.00 0.00 51.96 51.92 1ry9 s ALA 46 Cb -0.13 0.62 0.00 0.00 0.00 0.00 0.00 23.12 23.61 1ry9 s ALA 46 CO -0.03 -0.61 0.72 -0.51 0.00 0.00 0.00 175.76 175.33 1ry9 s LEU 47 N -2.51 4.16 -0.25 0.00 2.01 -1.26 -0.97 118.68 119.87 1ry9 s LEU 47 Ca -0.00 0.36 0.03 0.00 0.01 0.00 0.00 54.13 54.52 1ry9 s LEU 47 Cb 0.00 -2.94 0.06 0.00 0.01 0.00 0.00 46.19 43.32 1ry9 s LEU 47 CO -0.09 -0.64 -0.11 -0.69 1.01 0.00 0.00 176.35 175.84 1ry9 s VAL 48 N 2.90 2.09 -1.29 -1.59 1.01 0.60 -4.75 120.40 119.38 1ry9 s VAL 48 Ca 0.29 -1.54 -0.01 0.00 0.00 0.00 0.00 61.98 60.71 1ry9 s VAL 48 Cb -0.14 -2.20 -0.00 0.00 0.00 0.00 0.00 36.38 34.04 1ry9 s VAL 48 CO 0.15 0.00 0.72 0.59 0.00 0.00 0.00 175.10 176.56 1ry9 n ASN 49 N 4.47 -1.46 -1.21 3.32 3.02 -1.26 -1.93 115.26 120.21 1ry9 n ASN 49 Ca -0.14 -0.81 -0.16 0.00 -0.03 0.00 0.00 54.58 53.44 1ry9 n ASN 49 Cb 0.43 -4.12 -0.07 0.00 -0.61 0.00 0.00 39.78 35.41 1ry9 n ASN 49 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1ry9 n GLU 50 N -4.23 -1.28 -4.65 3.52 -0.58 -1.26 -4.98 120.64 107.17 1ry9 n GLU 50 Ca -0.29 1.05 -0.22 0.00 -0.42 0.00 0.00 57.16 57.28 1ry9 n GLU 50 Cb 0.67 -5.30 -0.15 0.00 -0.57 0.00 0.00 31.44 26.09 1ry9 n GLU 50 CO 0.00 0.00 0.00 -0.65 -0.48 0.00 0.00 177.13 176.00 1ry9 s GLN 51 N -3.31 1.15 -0.15 3.49 -0.21 -0.81 -5.00 119.66 114.81 1ry9 s GLN 51 Ca 0.00 -0.51 -0.27 0.00 0.02 0.00 0.00 55.36 54.60 1ry9 s GLN 51 Cb 0.00 -1.11 -0.01 0.00 1.00 0.00 0.00 33.01 32.89 1ry9 s GLN 51 CO 0.00 0.30 0.93 0.08 -2.12 0.00 0.00 175.29 174.48 1ry9 s VAL 52 N -0.33 4.81 -0.06 1.09 1.01 -1.26 -0.29 120.40 125.37 1ry9 s VAL 52 Ca 0.05 1.85 0.04 0.00 0.00 0.00 0.00 61.98 63.92 1ry9 s VAL 52 Cb -0.05 -4.23 -0.02 0.00 0.00 0.00 0.00 36.38 32.07 1ry9 s VAL 52 CO -0.01 -0.01 -0.16 -0.32 0.00 0.00 0.00 175.10 174.60 1ry9 s MET 53 N 2.24 2.59 -0.07 2.72 1.75 -0.14 -0.93 119.30 127.46 1ry9 s MET 53 Ca 0.43 -0.74 0.04 0.00 -1.25 0.00 0.00 55.69 54.17 1ry9 s MET 53 Cb -0.17 -2.36 -0.02 0.00 2.84 0.00 0.00 34.83 35.12 1ry9 s MET 53 CO 0.14 0.54 -0.17 -0.51 -0.65 0.00 0.00 175.02 174.37 1ry9 s LEU 54 N -0.52 2.55 0.03 4.11 1.43 -0.12 -1.85 118.68 124.32 1ry9 s LEU 54 Ca 0.07 -0.31 -0.19 0.00 -1.03 0.00 0.00 54.13 52.68 1ry9 s LEU 54 Cb -0.12 -1.52 0.04 0.00 0.03 0.00 0.00 46.19 44.62 1ry9 s LEU 54 CO 0.01 0.28 0.42 -1.66 0.23 0.00 0.00 176.35 175.64 1ry9 s TRP 55 N -0.36 -0.28 -0.03 0.29 -2.14 -0.47 -1.06 118.94 114.89 1ry9 s TRP 55 Ca 0.03 0.29 -0.02 0.00 2.66 0.00 0.00 56.10 59.06 1ry9 s TRP 55 Cb -0.12 0.22 0.02 0.00 -3.10 0.00 0.00 33.47 30.48 1ry9 s TRP 55 CO 0.02 -0.56 0.08 0.00 -2.66 0.00 0.00 176.95 173.83 1ry9 s ALA 56 N -2.28 -0.14 -0.37 2.67 0.00 -0.10 -0.73 121.76 120.81 1ry9 s ALA 56 Ca -0.06 0.32 -0.12 0.00 0.00 0.00 0.00 51.96 52.09 1ry9 s ALA 56 Cb -0.01 -0.21 0.01 0.00 0.00 0.00 0.00 23.12 22.91 1ry9 s ALA 56 CO -0.01 -0.07 0.23 -0.80 0.00 0.00 0.00 175.76 175.11 1ry9 s ASN 57 N 0.49 5.86 -0.07 0.00 0.01 -1.26 -1.44 114.94 118.52 1ry9 s ASN 57 Ca -0.04 -0.83 -0.08 0.00 -0.71 0.00 0.00 52.86 51.21 1ry9 s ASN 57 Cb -0.05 -2.07 -0.04 0.00 0.41 0.00 0.00 41.25 39.49 1ry9 s ASN 57 CO -0.02 -0.36 0.20 -0.36 -1.51 0.00 0.00 177.10 175.05 1ry9 s PHE 58 N 1.62 3.61 0.16 2.20 0.08 -0.09 -4.75 117.98 120.81 1ry9 s PHE 58 Ca 0.04 0.58 -0.33 0.00 0.12 0.00 0.00 56.93 57.34 1ry9 s PHE 58 Cb -0.19 -1.98 -0.13 0.00 -0.57 0.00 0.00 43.02 40.16 1ry9 s PHE 58 CO 0.08 0.70 1.68 -0.25 -0.10 0.00 0.00 175.22 177.33 1ry9 n ASP 59 N 1.73 3.60 -4.74 1.36 10.43 -1.26 -0.42 116.55 127.24 1ry9 n ASP 59 Ca -0.17 1.06 -0.41 0.00 2.57 0.00 0.00 54.79 57.83 1ry9 n ASP 59 Cb 0.54 -1.50 -0.02 0.00 1.84 0.00 0.00 41.12 41.98 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 1.40 3.65 0.64 2.24 0.00 -0.90 -4.62 121.76 124.16 1ry9 s ALA 60 Ca 0.78 1.33 -0.12 0.00 0.00 0.00 0.00 51.96 53.96 1ry9 s ALA 60 Cb -0.58 -3.57 -0.02 0.00 0.00 0.00 0.00 23.12 18.94 1ry9 s ALA 60 CO 0.36 -0.75 1.04 -1.25 0.00 0.00 0.00 175.76 175.16 1ry9 s PRO 61 N -0.15 3.33 0.93 0.00 0.04 -1.26 -4.98 135.00 132.91 1ry9 s PRO 61 Ca 0.61 0.90 -0.12 0.00 0.04 0.00 0.00 61.00 62.43 1ry9 s PRO 61 Cb -0.42 -2.04 0.15 0.00 0.04 0.00 0.00 34.50 32.22 1ry9 s PRO 61 CO 0.41 -0.78 1.09 -1.54 0.04 0.00 0.00 177.00 176.22 1ry9 s SER 62 N -3.78 3.18 0.25 6.66 1.04 -1.26 -4.80 113.70 115.00 1ry9 s SER 62 Ca 0.57 1.50 -0.05 0.00 0.48 0.00 0.00 55.95 58.46 1ry9 s SER 62 Cb -0.13 -2.17 0.29 0.00 0.10 0.00 0.00 66.02 64.11 1ry9 s SER 62 CO 0.51 -2.82 1.88 -0.78 0.98 0.00 0.00 173.24 173.00 1ry9 h ASP 63 N -1.68 1.04 -0.62 7.02 -0.00 -1.99 -1.21 116.42 118.98 1ry9 h ASP 63 Ca -0.50 -0.09 -0.09 0.00 -0.00 0.00 0.00 57.03 56.34 1ry9 h ASP 63 Cb 1.29 -0.26 -0.02 0.00 -0.00 0.00 0.00 39.33 40.33 1ry9 h ASP 63 CO 0.54 0.84 0.03 0.58 -0.00 0.00 0.00 179.24 181.22 1ry9 h VAL 64 N 1.17 1.27 -0.40 2.25 2.07 -2.00 -1.72 116.25 118.88 1ry9 h VAL 64 Ca 0.30 -1.13 -0.09 0.00 0.82 0.00 0.00 66.70 66.60 1ry9 h VAL 64 Cb 0.03 0.75 -0.02 0.00 -1.52 0.00 0.00 31.29 30.53 1ry9 h VAL 64 CO -0.05 0.41 -0.12 0.50 0.02 0.00 0.00 177.57 178.33 1ry9 h LYS 65 N 0.99 0.72 -0.47 1.57 1.63 -1.82 -2.61 116.57 116.58 1ry9 h LYS 65 Ca 0.18 -0.24 -0.08 0.00 -0.85 0.00 0.00 60.65 59.67 1ry9 h LYS 65 Cb 0.53 -0.06 -0.02 0.00 -0.60 0.00 0.00 32.23 32.08 1ry9 h LYS 65 CO 0.03 0.81 -0.03 1.25 -3.45 0.00 0.00 179.45 178.06 1ry9 h LEU 66 N 0.65 0.76 -1.00 5.20 5.85 -0.85 -1.34 115.31 124.59 1ry9 h LEU 66 Ca 0.11 -0.20 0.03 0.00 0.84 0.00 0.00 57.88 58.67 1ry9 h LEU 66 Cb 0.58 -0.20 -0.06 0.00 0.37 0.00 0.00 40.66 41.35 1ry9 h LEU 66 CO 0.04 0.85 0.66 1.56 -0.34 0.00 0.00 178.44 181.20 1ry9 h GLN 67 N 0.73 1.24 0.00 1.25 4.20 -0.94 0.23 115.11 121.82 1ry9 h GLN 67 Ca 0.14 -0.07 -0.22 0.00 0.06 0.00 0.00 58.65 58.56 1ry9 h GLN 67 Cb 0.49 -0.28 -0.03 0.00 0.30 0.00 0.00 27.48 27.95 1ry9 h GLN 67 CO 0.02 0.82 -1.09 0.66 -0.67 0.00 0.00 178.83 178.58 1ry9 h SER 68 N 1.28 0.00 -0.01 1.46 4.64 -1.32 -3.35 113.55 116.24 1ry9 h SER 68 Ca 0.40 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.72 1ry9 h SER 68 Cb -0.01 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.08 1ry9 h SER 68 CO -0.12 0.95 -0.67 -1.20 -0.87 0.00 0.00 176.83 174.93 1ry9 n SER 69 N -3.28 1.61 -0.21 4.97 7.64 -0.53 -4.64 113.62 119.18 1ry9 n SER 69 Ca -0.03 -1.31 0.02 0.00 1.01 0.00 0.00 58.87 58.56 1ry9 n SER 69 Cb 0.94 0.68 0.12 0.00 -1.01 0.00 0.00 64.21 64.94 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 3.48 0.74 -0.38 -0.43 0.00 -0.69 -1.27 119.26 120.71 1ry9 h ALA 70 Ca 0.00 0.15 0.02 0.00 0.00 0.00 0.00 54.91 55.07 1ry9 h ALA 70 Cb 0.65 0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.62 1ry9 h ALA 70 CO 0.00 -0.32 0.23 -0.92 0.00 0.00 0.00 179.25 178.23 1ry9 h TYR 71 N 0.24 0.42 -0.40 0.00 5.03 -1.85 0.10 116.97 120.51 1ry9 h TYR 71 Ca 0.34 0.01 -0.08 0.00 2.58 0.00 0.00 58.73 61.58 1ry9 h TYR 71 Cb 0.52 -0.14 -0.02 0.00 1.55 0.00 0.00 36.73 38.65 1ry9 h TYR 71 CO -0.27 0.25 -0.09 -0.91 -1.32 0.00 0.00 178.16 175.82 1ry9 h ASN 72 N 0.46 0.68 -0.29 -2.11 -0.26 -1.70 -1.16 115.58 111.19 1ry9 h ASN 72 Ca 0.15 -0.19 -0.15 0.00 -0.56 0.00 0.00 56.30 55.56 1ry9 h ASN 72 Cb -0.00 -0.18 -0.00 0.00 -1.06 0.00 0.00 38.32 37.08 1ry9 h ASN 72 CO -0.07 0.81 -0.39 0.40 -1.06 0.00 0.00 177.43 177.12 1ry9 h ILE 73 N 0.64 1.29 -0.51 2.81 2.04 -0.85 -2.49 117.51 120.44 1ry9 h ILE 73 Ca 0.12 -1.57 -0.02 0.00 1.00 0.00 0.00 64.86 64.38 1ry9 h ILE 73 Cb 0.53 1.61 -0.02 0.00 -0.74 0.00 0.00 36.82 38.19 1ry9 h ILE 73 CO 0.03 0.51 0.24 0.25 0.00 0.00 0.00 178.15 179.17 1ry9 h LEU 74 N 0.53 0.68 -0.90 1.44 6.46 -0.60 -0.88 115.31 122.05 1ry9 h LEU 74 Ca 0.03 -0.14 0.01 0.00 -0.12 0.00 0.00 57.88 57.67 1ry9 h LEU 74 Cb 0.98 -0.18 -0.05 0.00 -0.73 0.00 0.00 40.66 40.69 1ry9 h LEU 74 CO 0.09 0.63 0.59 0.78 -0.62 0.00 0.00 178.44 179.92 1ry9 h ASN 75 N 0.69 1.02 -0.33 1.25 4.21 -1.19 -0.86 115.58 120.37 1ry9 h ASN 75 Ca 0.18 -0.02 -0.01 0.00 1.21 0.00 0.00 56.30 57.65 1ry9 h ASN 75 Cb 0.14 -0.25 -0.01 0.00 -1.12 0.00 0.00 38.32 37.07 1ry9 h ASN 75 CO -0.02 0.74 0.15 0.25 -1.29 0.00 0.00 177.43 177.25 1ry9 h LEU 76 N 1.21 0.44 -1.43 1.61 5.85 -1.01 -2.91 115.31 119.07 1ry9 h LEU 76 Ca 0.33 -0.14 0.00 0.00 0.84 0.00 0.00 57.88 58.91 1ry9 h LEU 76 Cb -0.13 -0.11 -0.03 0.00 0.37 0.00 0.00 40.66 40.76 1ry9 h LEU 76 CO -0.08 0.46 0.34 0.24 -0.34 0.00 0.00 178.44 179.07 1ry9 h MET 77 N 0.39 0.72 -0.00 1.25 2.86 -0.61 -2.45 114.93 117.10 1ry9 h MET 77 Ca 0.11 -0.05 0.00 0.00 -2.06 0.00 0.00 59.70 57.70 1ry9 h MET 77 Cb 0.15 -0.16 0.00 0.00 0.06 0.00 0.00 31.60 31.65 1ry9 h MET 77 CO -0.01 0.49 -0.03 1.28 1.06 0.00 0.00 176.91 179.70 1ry9 n LEU 78 N -4.44 0.26 -4.70 1.22 4.77 -0.38 -4.63 117.00 109.11 1ry9 n LEU 78 Ca 0.05 0.04 -0.42 0.00 -0.03 0.00 0.00 56.01 55.64 1ry9 n LEU 78 Cb 0.06 -0.13 -0.03 0.00 -2.33 0.00 0.00 43.42 41.00 1ry9 n LEU 78 CO 0.36 0.05 0.90 -0.04 -1.33 0.00 0.00 177.39 177.32 1ry9 s MET 79 N -2.29 4.40 0.59 3.23 -1.94 -0.92 -5.00 119.30 117.36 1ry9 s MET 79 Ca 0.37 1.67 -0.19 0.00 -1.71 0.00 0.00 55.69 55.83 1ry9 s MET 79 Cb 0.21 -3.48 -0.04 0.00 2.01 0.00 0.00 34.83 33.53 1ry9 s MET 79 CO 0.42 -0.34 1.18 -0.80 -0.01 0.00 0.00 175.02 175.47 1ry9 s ASN 80 N 1.29 5.30 -0.21 3.03 0.01 -1.26 -4.52 114.94 118.57 1ry9 s ASN 80 Ca 0.56 2.31 -0.03 0.00 -0.71 0.00 0.00 52.86 54.99 1ry9 s ASN 80 Cb -0.26 -2.59 0.07 0.00 0.41 0.00 0.00 41.25 38.88 1ry9 s ASN 80 CO 0.25 -1.51 0.05 0.12 -1.51 0.00 0.00 177.10 174.49 1ry9 s PHE 81 N -1.70 0.98 0.50 2.20 5.36 -0.06 -4.96 117.98 120.30 1ry9 s PHE 81 Ca 0.75 -0.89 0.34 0.00 -0.96 0.00 0.00 56.93 56.17 1ry9 s PHE 81 Cb -0.28 -1.05 1.83 0.00 -0.34 0.00 0.00 43.02 43.18 1ry9 s PHE 81 CO 0.32 -0.64 2.20 0.77 -1.46 0.00 0.00 175.22 176.42 1ry9 h SER 82 N 8.25 0.00 0.24 6.13 0.02 -1.96 -3.02 113.55 123.22 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 1.11 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.65 1ry9 h SER 82 CO 0.35 0.04 -0.43 -1.22 -1.14 0.00 0.00 176.83 174.43 1ry9 n TYR 83 N -3.47 0.00 -2.89 3.45 4.02 -1.26 -4.91 117.16 112.10 1ry9 n TYR 83 Ca -0.02 0.00 -0.35 0.00 -0.01 0.00 0.00 57.90 57.52 1ry9 n TYR 83 Cb 0.16 -0.12 -0.07 0.00 -0.02 0.00 0.00 39.34 39.29 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 -2.67 7.09 0.51 7.72 0.15 -1.14 -1.51 113.70 123.85 1ry9 s SER 84 Ca 0.18 1.65 0.22 0.00 0.70 0.00 0.00 55.95 58.70 1ry9 s SER 84 Cb 0.18 -2.51 1.37 0.00 -1.71 0.00 0.00 66.02 63.35 1ry9 s SER 84 CO 0.61 -0.17 2.10 -0.29 1.20 0.00 0.00 173.24 176.70 1ry9 h ILE 85 N 2.31 0.81 -0.21 6.45 6.09 -1.63 -2.63 117.51 128.72 1ry9 h ILE 85 Ca -0.48 -0.35 0.00 0.00 -1.37 0.00 0.00 64.86 62.66 1ry9 h ILE 85 Cb 1.19 1.21 0.00 0.00 0.47 0.00 0.00 36.82 39.68 1ry9 h ILE 85 CO 0.64 0.09 0.00 -0.46 -3.07 0.00 0.00 178.15 175.35 1ry9 n ASN 86 N -4.05 2.94 -0.11 2.19 2.04 -1.26 -4.98 115.26 112.02 1ry9 n ASN 86 Ca -0.02 -2.44 -0.01 0.00 -0.44 0.00 0.00 54.58 51.66 1ry9 n ASN 86 Cb 0.18 -0.30 -0.01 0.00 -2.53 0.00 0.00 39.78 37.12 1ry9 n ASN 86 CO 0.00 0.00 0.00 1.21 -0.44 0.00 0.00 177.26 178.03 1ry9 n GLU 87 N -0.25 -1.08 -4.20 -3.83 2.13 -0.99 -4.97 120.64 107.45 1ry9 n GLU 87 Ca 0.13 0.36 -0.12 0.00 0.66 0.00 0.00 57.16 58.19 1ry9 n GLU 87 Cb 0.55 -4.22 -0.10 0.00 0.27 0.00 0.00 31.44 27.95 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 -0.34 2.13 -0.14 4.31 1.43 -1.25 -0.88 118.68 123.93 1ry9 s LEU 88 Ca 0.00 -1.14 -0.08 0.00 -1.03 0.00 0.00 54.13 51.88 1ry9 s LEU 88 Cb 0.00 0.04 -0.04 0.00 0.03 0.00 0.00 46.19 46.21 1ry9 s LEU 88 CO 0.00 -0.59 0.13 -0.69 0.23 0.00 0.00 176.35 175.44 1ry9 s VAL 89 N -3.75 5.46 0.17 -1.59 1.01 -1.26 -4.77 120.40 115.67 1ry9 s VAL 89 Ca 0.21 0.20 -0.00 0.00 0.00 0.00 0.00 61.98 62.38 1ry9 s VAL 89 Cb 0.06 -3.41 -0.04 0.00 0.00 0.00 0.00 36.38 32.99 1ry9 s VAL 89 CO 0.01 0.57 0.35 -1.61 0.00 0.00 0.00 175.10 174.42 1ry9 s GLU 90 N -0.62 3.51 -0.14 2.72 2.02 0.94 -4.89 118.70 122.24 1ry9 s GLU 90 Ca 0.13 -0.38 0.00 0.00 0.02 0.00 0.00 54.97 54.74 1ry9 s GLU 90 Cb -0.12 -2.89 0.02 0.00 0.10 0.00 0.00 34.13 31.25 1ry9 s GLU 90 CO 0.02 0.45 -0.13 -1.17 0.02 0.00 0.00 175.26 174.45 1ry9 s LEU 91 N -3.16 1.60 0.08 1.80 2.96 -1.26 -1.10 118.68 119.60 1ry9 s LEU 91 Ca 0.38 -0.45 0.09 0.00 -0.22 0.00 0.00 54.13 53.92 1ry9 s LEU 91 Cb -0.11 -1.12 -0.03 0.00 0.50 0.00 0.00 46.19 45.42 1ry9 s LEU 91 CO 0.28 -0.07 -0.25 -1.00 -1.32 0.00 0.00 176.35 174.00 1ry9 s HIS 92 N 1.53 2.14 0.04 5.38 3.76 0.09 -4.94 115.29 123.29 1ry9 s HIS 92 Ca 0.05 -0.40 -0.29 0.00 -0.15 0.00 0.00 55.06 54.27 1ry9 s HIS 92 Cb -0.13 -1.23 -0.04 0.00 1.11 0.00 0.00 32.58 32.29 1ry9 s HIS 92 CO -0.10 0.19 0.95 1.03 -0.85 0.00 0.00 174.74 175.96 1ry9 s ARG 93 N -1.54 4.61 -0.29 1.40 0.52 -1.26 0.09 118.95 122.48 1ry9 s ARG 93 Ca 0.11 1.39 -0.02 0.00 -0.52 0.00 0.00 55.73 56.69 1ry9 s ARG 93 Cb -0.10 -3.42 0.12 0.00 0.52 0.00 0.00 34.95 32.07 1ry9 s ARG 93 CO 0.03 0.08 0.23 0.45 0.02 0.00 0.00 175.30 176.11 1ry9 s SER 94 N 0.54 2.38 1.36 0.23 0.15 -0.40 -4.91 113.70 113.05 1ry9 s SER 94 Ca 0.49 -0.94 0.00 0.00 0.70 0.00 0.00 55.95 56.20 1ry9 s SER 94 Cb -0.22 0.18 0.00 0.00 -1.71 0.00 0.00 66.02 64.27 1ry9 s SER 94 CO 0.28 -0.41 0.00 -0.67 1.20 0.00 0.00 173.24 173.64 1ry9 n ASP 95 N 5.29 0.00 -0.88 5.45 -0.08 -1.26 -0.89 116.55 124.18 1ry9 n ASP 95 Ca -0.04 0.00 0.03 0.00 -1.51 0.00 0.00 54.79 53.27 1ry9 n ASP 95 Cb 0.45 0.00 0.13 0.00 2.34 0.00 0.00 41.12 44.04 1ry9 n ASP 95 CO 0.00 0.00 0.00 -1.84 0.12 0.00 0.00 177.20 175.48 1ry9 n GLU 96 N 14.00 2.18 -4.39 -0.67 0.28 -1.26 -4.90 120.64 125.88 1ry9 n GLU 96 Ca 0.00 -1.03 -0.20 0.00 -0.16 0.00 0.00 57.16 55.77 1ry9 n GLU 96 Cb 0.00 -1.66 -0.10 0.00 1.43 0.00 0.00 31.44 31.11 1ry9 n GLU 96 CO 0.00 0.00 0.00 0.71 -0.16 0.00 0.00 177.13 177.68 1ry9 s TYR 97 N -1.60 1.82 -0.24 -1.84 2.02 -0.07 -2.12 117.35 115.32 1ry9 s TYR 97 Ca 0.18 -0.73 -0.06 0.00 -0.37 0.00 0.00 57.07 56.09 1ry9 s TYR 97 Cb 0.13 -1.01 -0.02 0.00 -0.40 0.00 0.00 41.96 40.65 1ry9 s TYR 97 CO 0.06 0.22 0.03 -1.17 -1.57 0.00 0.00 175.55 173.13 1ry9 s LEU 98 N -3.39 3.27 -0.20 -1.29 2.96 0.44 -1.27 118.68 119.19 1ry9 s LEU 98 Ca 0.28 -0.27 -0.04 0.00 -0.22 0.00 0.00 54.13 53.88 1ry9 s LEU 98 Cb 0.03 -1.86 -0.02 0.00 0.50 0.00 0.00 46.19 44.84 1ry9 s LEU 98 CO 0.10 -0.03 -0.03 -1.58 -1.32 0.00 0.00 176.35 173.49 1ry9 s GLN 99 N 1.57 3.49 -0.09 1.98 0.74 0.11 -0.91 119.66 126.56 1ry9 s GLN 99 Ca 0.06 -0.58 -0.22 0.00 0.05 0.00 0.00 55.36 54.67 1ry9 s GLN 99 Cb -0.15 -2.99 -0.04 0.00 1.10 0.00 0.00 33.01 30.94 1ry9 s GLN 99 CO 0.01 -0.04 0.63 -1.17 -0.55 0.00 0.00 175.29 174.18 1ry9 s LEU 100 N 1.09 4.30 -0.07 3.68 2.96 -0.52 -0.73 118.68 129.38 1ry9 s LEU 100 Ca 0.01 1.06 -0.08 0.00 -0.22 0.00 0.00 54.13 54.90 1ry9 s LEU 100 Cb -0.15 -2.96 0.02 0.00 0.50 0.00 0.00 46.19 43.61 1ry9 s LEU 100 CO 0.00 -0.09 0.21 -0.60 -1.32 0.00 0.00 176.35 174.56 1ry9 s ARG 101 N 0.80 0.30 -0.06 1.98 3.52 -0.26 -0.92 118.95 124.31 1ry9 s ARG 101 Ca 0.34 0.20 -0.07 0.00 -0.13 0.00 0.00 55.73 56.07 1ry9 s ARG 101 Cb -0.17 0.14 0.02 0.00 -1.56 0.00 0.00 34.95 33.38 1ry9 s ARG 101 CO 0.15 -0.05 0.18 0.54 -0.81 0.00 0.00 175.30 175.31 1ry9 s VAL 102 N -0.12 0.01 -0.19 7.11 0.11 -0.22 -0.04 120.40 127.06 1ry9 s VAL 102 Ca -0.02 -0.11 -0.04 0.00 -2.93 0.00 0.00 61.98 58.87 1ry9 s VAL 102 Cb -0.02 -0.29 -0.02 0.00 -1.53 0.00 0.00 36.38 34.51 1ry9 s VAL 102 CO 0.01 -0.06 -0.02 -0.69 -3.33 0.00 0.00 175.10 171.01 1ry9 s VAL 103 N -0.15 3.83 0.07 2.04 1.01 -1.26 -0.95 120.40 125.00 1ry9 s VAL 103 Ca -0.02 -0.36 -0.18 0.00 0.00 0.00 0.00 61.98 61.42 1ry9 s VAL 103 Cb -0.02 -2.72 -0.07 0.00 0.00 0.00 0.00 36.38 33.57 1ry9 s VAL 103 CO 0.01 0.44 0.54 -0.63 0.00 0.00 0.00 175.10 175.46 1ry9 s ILE 104 N 0.90 4.80 0.47 2.22 -1.09 -0.11 -1.64 121.20 126.75 1ry9 s ILE 104 Ca 0.00 1.11 -0.23 0.00 -2.23 0.00 0.00 60.65 59.30 1ry9 s ILE 104 Cb -0.14 -3.85 -0.07 0.00 -1.58 0.00 0.00 42.46 36.82 1ry9 s ILE 104 CO 0.02 0.52 1.21 -0.54 -1.23 0.00 0.00 174.94 174.92 1ry9 s LYS 105 N -1.21 3.67 0.61 2.79 1.02 -0.57 -4.30 119.74 121.74 1ry9 s LYS 105 Ca 0.29 1.89 0.31 0.00 0.02 0.00 0.00 55.97 58.48 1ry9 s LYS 105 Cb -0.18 -2.42 1.80 0.00 -0.52 0.00 0.00 37.83 36.50 1ry9 s LYS 105 CO 0.18 -0.66 2.16 0.22 -0.92 0.00 0.00 175.35 176.33 1ry9 h ASP 106 N 2.01 0.00 -0.11 2.83 1.82 -1.94 -2.23 116.42 118.80 1ry9 h ASP 106 Ca -0.50 0.00 0.03 0.00 -0.39 0.00 0.00 57.03 56.17 1ry9 h ASP 106 Cb 1.26 0.00 -0.00 0.00 0.68 0.00 0.00 39.33 41.26 1ry9 h ASP 106 CO 0.60 0.00 0.14 0.44 -1.61 0.00 0.00 179.24 178.81 1ry9 h ASP 107 N 0.00 0.00 -0.27 2.28 5.19 -1.97 -3.01 116.42 118.65 1ry9 h ASP 107 Ca 0.05 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.46 1ry9 h ASP 107 Cb 0.33 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.84 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 -3.70 0.51 -1.06 4.55 4.01 -0.84 -4.64 117.16 115.99 1ry9 n TYR 108 Ca -0.00 -0.62 0.08 0.00 -0.16 0.00 0.00 57.90 57.20 1ry9 n TYR 108 Cb 0.24 -0.11 0.22 0.00 -0.31 0.00 0.00 39.34 39.39 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 0.04 2.21 -0.05 -0.72 0.24 -1.14 -4.20 118.33 114.71 1ry9 n VAL 109 Ca 0.13 -2.08 0.00 0.00 -2.04 0.00 0.00 64.34 60.35 1ry9 n VAL 109 Cb 0.53 -0.26 0.00 0.00 -1.47 0.00 0.00 33.84 32.64 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 -0.81 0.00 -3.69 6.34 8.25 -1.26 -4.96 115.22 119.09 1ry9 n HIS 110 Ca 0.21 -0.22 -0.27 0.00 -0.26 0.00 0.00 57.72 57.18 1ry9 n HIS 110 Cb 0.84 -0.02 -0.17 0.00 1.12 0.00 0.00 29.99 31.76 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 -0.45 2.65 0.53 0.41 3.68 -1.26 -5.03 116.67 117.20 1ry9 s ASP 111 Ca 0.00 -0.72 0.18 0.00 2.13 0.00 0.00 52.55 54.14 1ry9 s ASP 111 Cb 0.00 -0.45 1.36 0.00 -1.45 0.00 0.00 42.92 42.38 1ry9 s ASP 111 CO 0.00 -0.32 2.17 1.23 0.13 0.00 0.00 175.17 178.37 1ry9 h GLY 112 N 8.31 0.00 1.14 2.66 0.00 -1.92 -0.44 103.07 112.82 1ry9 h GLY 112 Ca -0.16 0.00 -0.19 0.00 0.00 0.00 0.00 47.33 46.98 1ry9 h GLY 112 CO 0.32 0.00 -0.61 -2.22 0.00 0.00 0.00 176.54 174.03 1ry9 h ILE 113 N 0.00 1.28 -0.27 2.60 2.04 -1.93 -1.30 117.51 119.93 1ry9 h ILE 113 Ca -0.00 -1.80 -0.10 0.00 1.00 0.00 0.00 64.86 63.97 1ry9 h ILE 113 Cb 0.01 1.75 -0.01 0.00 -0.74 0.00 0.00 36.82 37.83 1ry9 h ILE 113 CO 0.00 0.58 -0.21 0.58 0.00 0.00 0.00 178.15 179.10 1ry9 h VAL 114 N 0.61 1.30 0.00 1.67 2.07 -1.78 -3.01 116.25 117.11 1ry9 h VAL 114 Ca -0.01 -1.34 -0.03 0.00 0.82 0.00 0.00 66.70 66.14 1ry9 h VAL 114 Cb 1.23 1.57 -0.00 0.00 -1.52 0.00 0.00 31.29 32.56 1ry9 h VAL 114 CO 0.13 0.43 -0.16 0.15 0.02 0.00 0.00 177.57 178.14 1ry9 h PHE 115 N 0.36 0.00 -0.86 1.57 3.57 -1.06 -1.40 116.94 119.12 1ry9 h PHE 115 Ca 0.05 0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.55 1ry9 h PHE 115 Cb 0.75 0.00 -0.04 0.00 2.79 0.00 0.00 35.95 39.45 1ry9 h PHE 115 CO 0.07 0.16 0.52 0.00 -2.23 0.00 0.00 178.31 176.82 1ry9 h ALA 116 N 1.84 1.09 -0.43 2.41 0.00 -1.09 -0.68 119.26 122.41 1ry9 h ALA 116 Ca -0.00 -0.10 -0.10 0.00 0.00 0.00 0.00 54.91 54.71 1ry9 h ALA 116 Cb 0.32 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 1ry9 h ALA 116 CO 0.02 0.55 -0.14 1.49 0.00 0.00 0.00 179.25 181.17 1ry9 h GLU 117 N 1.18 0.79 -0.34 0.00 4.57 -1.25 -0.97 114.58 118.56 1ry9 h GLU 117 Ca 0.31 -0.28 -0.01 0.00 -1.18 0.00 0.00 59.36 58.20 1ry9 h GLU 117 Cb -0.05 -0.06 -0.02 0.00 -0.16 0.00 0.00 28.75 28.47 1ry9 h GLU 117 CO -0.06 0.88 0.18 0.82 -1.18 0.00 0.00 179.01 179.66 1ry9 h ILE 118 N 0.71 1.14 -0.73 2.32 2.04 -1.13 -0.52 117.51 121.34 1ry9 h ILE 118 Ca 0.11 -0.38 -0.05 0.00 1.00 0.00 0.00 64.86 65.55 1ry9 h ILE 118 Cb 0.63 0.78 -0.03 0.00 -0.74 0.00 0.00 36.82 37.46 1ry9 h ILE 118 CO 0.04 0.15 0.27 -0.07 0.00 0.00 0.00 178.15 178.54 1ry9 h LEU 119 N 0.42 1.02 -0.55 1.44 3.38 -0.95 -0.02 115.31 120.05 1ry9 h LEU 119 Ca 0.12 -0.18 -0.02 0.00 0.09 0.00 0.00 57.88 57.89 1ry9 h LEU 119 Cb 0.07 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.53 1ry9 h LEU 119 CO -0.02 0.93 0.27 -0.74 0.09 0.00 0.00 178.44 178.97 1ry9 h HIS 120 N 1.05 0.77 -0.26 1.13 2.76 -0.89 -0.31 115.15 119.41 1ry9 h HIS 120 Ca 0.24 -0.03 -0.17 0.00 -2.20 0.00 0.00 60.37 58.21 1ry9 h HIS 120 Cb 0.24 -0.24 -0.00 0.00 1.55 0.00 0.00 27.41 28.95 1ry9 h HIS 120 CO 0.02 0.59 -0.53 0.93 -1.30 0.00 0.00 177.93 177.64 1ry9 h GLU 121 N 0.73 0.77 -0.68 5.26 5.08 -0.85 -1.05 114.58 123.84 1ry9 h GLU 121 Ca 0.19 -0.47 -0.03 0.00 -1.00 0.00 0.00 59.36 58.05 1ry9 h GLU 121 Cb 0.09 0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.36 1ry9 h GLU 121 CO -0.03 1.10 0.32 0.35 -1.00 0.00 0.00 179.01 179.75 1ry9 h PHE 122 N 0.59 1.00 -0.56 4.33 3.04 -0.77 -1.24 116.94 123.33 1ry9 h PHE 122 Ca 0.02 -0.05 0.01 0.00 3.98 0.00 0.00 57.97 61.92 1ry9 h PHE 122 Cb 1.11 -0.31 -0.03 0.00 2.56 0.00 0.00 35.95 39.28 1ry9 h PHE 122 CO 0.06 0.75 0.37 -0.92 -2.02 0.00 0.00 178.31 176.55 1ry9 h TYR 123 N 0.96 0.69 -0.71 0.41 3.20 -0.88 -0.87 116.97 119.77 1ry9 h TYR 123 Ca 0.23 0.02 -0.02 0.00 3.14 0.00 0.00 58.73 62.10 1ry9 h TYR 123 Cb 0.14 -0.23 -0.03 0.00 1.54 0.00 0.00 36.73 38.14 1ry9 h TYR 123 CO 0.01 0.43 0.37 1.96 -1.64 0.00 0.00 178.16 179.29 1ry9 h GLN 124 N 0.75 1.00 -0.46 1.82 4.20 -0.58 0.54 115.11 122.39 1ry9 h GLN 124 Ca 0.21 -0.12 -0.13 0.00 0.06 0.00 0.00 58.65 58.67 1ry9 h GLN 124 Cb -0.08 -0.19 -0.01 0.00 0.30 0.00 0.00 27.48 27.50 1ry9 h GLN 124 CO -0.05 0.75 -0.22 0.00 -0.67 0.00 0.00 178.83 178.65 1ry9 h ARG 125 N 1.00 0.93 -0.72 1.46 2.47 -0.78 -2.16 114.38 116.58 1ry9 h ARG 125 Ca 0.25 -0.39 -0.01 0.00 -1.26 0.00 0.00 59.98 58.57 1ry9 h ARG 125 Cb 0.06 -0.03 -0.03 0.00 -1.65 0.00 0.00 29.97 28.31 1ry9 h ARG 125 CO -0.04 1.05 0.42 0.52 0.56 0.00 0.00 179.97 182.48 1ry9 h MET 126 N 0.81 0.98 -0.76 0.04 2.86 -0.38 -1.76 114.93 116.71 1ry9 h MET 126 Ca 0.11 -0.10 0.02 0.00 -2.06 0.00 0.00 59.70 57.67 1ry9 h MET 126 Cb 0.78 -0.20 -0.04 0.00 0.06 0.00 0.00 31.60 32.19 1ry9 h MET 126 CO 0.06 0.71 0.49 0.93 1.06 0.00 0.00 176.91 180.17 1ry9 h GLU 127 N 0.98 0.95 -0.16 1.72 5.08 -0.65 0.13 114.58 122.63 1ry9 h GLU 127 Ca 0.26 -0.06 -0.02 0.00 -1.00 0.00 0.00 59.36 58.54 1ry9 h GLU 127 Cb -0.01 -0.22 -0.01 0.00 0.50 0.00 0.00 28.75 29.02 1ry9 h GLU 127 CO -0.05 0.63 0.04 0.82 -1.00 0.00 0.00 179.01 179.46 1ry9 h ILE 128 N 0.98 1.20 -0.54 3.13 2.04 -0.98 -1.71 117.51 121.64 1ry9 h ILE 128 Ca 0.29 -0.61 -0.04 0.00 1.00 0.00 0.00 64.86 65.49 1ry9 h ILE 128 Cb -0.05 1.29 -0.02 0.00 -0.74 0.00 0.00 36.82 37.30 1ry9 h ILE 128 CO -0.09 0.19 0.17 0.25 0.00 0.00 0.00 178.15 178.67 1ry9 h LEU 129 N 0.08 0.79 -1.06 1.44 5.85 -1.10 -2.81 115.31 118.50 1ry9 h LEU 129 Ca 0.05 -0.20 0.08 0.00 0.84 0.00 0.00 57.88 58.65 1ry9 h LEU 129 Cb 0.25 -0.21 -0.07 0.00 0.37 0.00 0.00 40.66 41.00 1ry9 h LEU 129 CO -0.00 0.78 0.63 -1.13 -0.34 0.00 0.00 178.44 178.38 1ry9 h ASN 130 N 0.75 0.96 0.63 1.25 -1.24 -0.60 -1.98 115.58 115.35 1ry9 h ASN 130 Ca 0.18 0.02 -0.01 0.00 0.71 0.00 0.00 56.30 57.20 1ry9 h ASN 130 Cb 0.28 -0.18 -0.00 0.00 0.73 0.00 0.00 38.32 39.14 1ry9 h ASN 130 CO -0.01 0.59 -0.04 1.23 -1.29 0.00 0.00 177.43 177.91 1ry9 h GLY 131 N 1.07 0.00 -1.15 1.57 0.00 -1.04 -3.04 103.07 100.48 1ry9 h GLY 131 Ca 0.44 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.77 1ry9 h GLY 131 CO -0.19 0.00 0.00 3.33 0.00 0.00 0.00 176.54 179.68 1ry9 n VAL 132 N -3.21 0.58 0.85 4.60 0.24 -0.77 -5.11 118.33 115.50 1ry9 n VAL 132 Ca -0.01 -0.79 0.10 0.00 -2.04 0.00 0.00 64.34 61.60 1ry9 n VAL 132 Cb 0.24 0.81 0.09 0.00 -1.47 0.00 0.00 33.84 33.51 1ry9 n VAL 132 CO 0.00 0.00 0.00 0.18 -2.14 0.00 0.00 176.83 174.87