#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 -0.15 -0.05 6.12 1.04 -1.26 -4.98 113.70 114.42 1ry9 s SER 2 Ca 0.00 -0.69 0.14 0.00 0.48 0.00 0.00 55.95 55.88 1ry9 s SER 2 Cb 0.00 0.68 0.49 0.00 0.10 0.00 0.00 66.02 67.28 1ry9 s SER 2 CO 0.00 -1.28 1.37 -0.46 0.98 0.00 0.00 173.24 173.85 1ry9 n ASN 3 N -0.76 3.22 -0.08 7.02 0.23 -0.15 -4.53 115.26 120.22 1ry9 n ASN 3 Ca -0.05 -2.20 -0.10 0.00 -0.53 0.00 0.00 54.58 51.69 1ry9 n ASN 3 Cb 0.60 -0.43 -0.03 0.00 -2.08 0.00 0.00 39.78 37.84 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 2.91 1.14 -0.39 1.53 6.09 -1.97 0.10 117.51 126.92 1ry9 h ILE 4 Ca 0.00 -0.38 -0.09 0.00 -1.37 0.00 0.00 64.86 63.01 1ry9 h ILE 4 Cb 0.95 0.90 -0.02 0.00 0.47 0.00 0.00 36.82 39.12 1ry9 h ILE 4 CO 0.11 0.14 -0.14 0.78 -3.07 0.00 0.00 178.15 175.96 1ry9 h ASN 5 N 0.31 0.71 -0.28 2.19 -0.26 -2.00 -1.91 115.58 114.35 1ry9 h ASN 5 Ca 0.09 -0.22 -0.12 0.00 -0.56 0.00 0.00 56.30 55.50 1ry9 h ASN 5 Cb 0.10 -0.19 -0.01 0.00 -1.06 0.00 0.00 38.32 37.15 1ry9 h ASN 5 CO -0.01 0.86 -0.23 0.25 -1.06 0.00 0.00 177.43 177.24 1ry9 h LEU 6 N 0.64 0.77 -0.50 1.61 5.85 -1.80 -0.67 115.31 121.21 1ry9 h LEU 6 Ca 0.11 -0.28 -0.06 0.00 0.84 0.00 0.00 57.88 58.48 1ry9 h LEU 6 Cb 0.61 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 41.41 1ry9 h LEU 6 CO 0.04 0.98 0.06 0.58 -0.34 0.00 0.00 178.44 179.77 1ry9 h VAL 7 N 0.66 1.25 -0.35 1.05 2.07 -0.51 -0.62 116.25 119.80 1ry9 h VAL 7 Ca 0.09 -0.97 -0.07 0.00 0.82 0.00 0.00 66.70 66.58 1ry9 h VAL 7 Cb 0.74 0.90 -0.02 0.00 -1.52 0.00 0.00 31.29 31.40 1ry9 h VAL 7 CO 0.06 0.34 -0.07 -0.61 0.02 0.00 0.00 177.57 177.32 1ry9 h GLN 8 N 0.72 0.58 -0.30 1.57 5.75 -1.16 -0.45 115.11 121.82 1ry9 h GLN 8 Ca 0.15 -0.15 -0.05 0.00 -0.15 0.00 0.00 58.65 58.44 1ry9 h GLN 8 Cb 0.42 -0.07 -0.01 0.00 1.07 0.00 0.00 27.48 28.90 1ry9 h GLN 8 CO 0.01 0.65 -0.02 1.25 -2.65 0.00 0.00 178.83 178.07 1ry9 h LEU 9 N 0.54 0.53 -0.15 -2.39 5.85 -0.71 -2.09 115.31 116.89 1ry9 h LEU 9 Ca 0.11 -0.33 -0.03 0.00 0.84 0.00 0.00 57.88 58.46 1ry9 h LEU 9 Cb 0.45 -0.14 -0.00 0.00 0.37 0.00 0.00 40.66 41.33 1ry9 h LEU 9 CO 0.02 0.73 -0.04 0.58 -0.34 0.00 0.00 178.44 179.40 1ry9 h VAL 10 N 0.32 1.29 -0.50 1.05 2.07 -0.83 -1.54 116.25 118.12 1ry9 h VAL 10 Ca 0.08 -0.99 -0.06 0.00 0.82 0.00 0.00 66.70 66.55 1ry9 h VAL 10 Cb 0.47 1.63 -0.02 0.00 -1.52 0.00 0.00 31.29 31.85 1ry9 h VAL 10 CO 0.02 0.29 0.06 0.08 0.02 0.00 0.00 177.57 178.04 1ry9 h ARG 11 N -0.00 0.79 -0.47 1.57 0.11 -1.13 -1.76 114.38 113.49 1ry9 h ARG 11 Ca 0.04 -0.18 -0.01 0.00 0.10 0.00 0.00 59.98 59.92 1ry9 h ARG 11 Cb 0.46 -0.11 -0.02 0.00 1.11 0.00 0.00 29.97 31.42 1ry9 h ARG 11 CO 0.02 0.76 0.25 -0.44 0.10 0.00 0.00 179.97 180.65 1ry9 h ASP 12 N 0.75 0.60 -0.90 0.08 3.32 -1.26 -2.60 116.42 116.41 1ry9 h ASP 12 Ca 0.16 -0.10 0.03 0.00 0.02 0.00 0.00 57.03 57.14 1ry9 h ASP 12 Cb 0.37 -0.15 -0.05 0.00 0.22 0.00 0.00 39.33 39.72 1ry9 h ASP 12 CO 0.01 0.52 0.59 0.28 -1.72 0.00 0.00 179.24 178.92 1ry9 h SER 13 N 0.62 0.99 0.02 6.45 0.02 -0.78 -2.44 113.55 118.42 1ry9 h SER 13 Ca 0.17 -0.02 -0.07 0.00 -0.84 0.00 0.00 61.79 61.03 1ry9 h SER 13 Cb 0.07 -0.23 -0.01 0.00 0.14 0.00 0.00 62.40 62.36 1ry9 h SER 13 CO -0.03 0.69 -0.19 -0.07 -1.14 0.00 0.00 176.83 176.09 1ry9 h LEU 14 N 1.15 0.32 -1.04 5.07 -0.00 -0.96 -1.96 115.31 117.89 1ry9 h LEU 14 Ca 0.35 -0.09 -0.06 0.00 -0.00 0.00 0.00 57.88 58.08 1ry9 h LEU 14 Cb -0.03 -0.09 -0.02 0.00 -0.00 0.00 0.00 40.66 40.53 1ry9 h LEU 14 CO -0.10 0.53 -0.01 -0.26 -0.00 0.00 0.00 178.44 178.61 1ry9 h PHE 15 N 0.30 0.71 -0.02 1.13 -1.00 -1.17 -1.04 116.94 115.86 1ry9 h PHE 15 Ca 0.05 -0.09 -0.14 0.00 2.81 0.00 0.00 57.97 60.61 1ry9 h PHE 15 Cb 0.52 -0.20 -0.02 0.00 3.61 0.00 0.00 35.95 39.86 1ry9 h PHE 15 CO 0.01 0.68 -0.62 1.15 -1.61 0.00 0.00 178.31 177.92 1ry9 h THR 16 N 0.64 1.43 0.00 -1.55 2.02 -1.31 -3.15 112.91 110.98 1ry9 h THR 16 Ca 0.13 -2.09 -0.17 0.00 0.77 0.00 0.00 66.41 65.05 1ry9 h THR 16 Cb 0.41 2.11 -0.02 0.00 -1.74 0.00 0.00 68.15 68.91 1ry9 h THR 16 CO 0.02 0.60 -0.81 0.40 0.37 0.00 0.00 175.52 176.10 1ry9 h ILE 17 N 0.05 1.40 0.00 3.11 2.04 -0.99 -3.48 117.51 119.64 1ry9 h ILE 17 Ca -0.01 -2.95 0.00 0.00 1.00 0.00 0.00 64.86 62.91 1ry9 h ILE 17 Cb 1.11 2.67 0.00 0.00 -0.74 0.00 0.00 36.82 39.85 1ry9 h ILE 17 CO 0.08 0.79 0.00 0.61 0.00 0.00 0.00 178.15 179.64 1ry9 n GLY 18 N 1.26 1.06 3.92 5.37 0.00 -0.50 -5.10 105.19 111.20 1ry9 n GLY 18 Ca 0.01 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.81 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 -3.94 3.58 0.00 0.00 0.04 -1.26 -3.84 135.00 129.57 1ry9 s PRO 20 Ca 0.34 0.23 0.00 0.00 0.04 0.00 0.00 61.00 61.61 1ry9 s PRO 20 Cb -0.09 -2.38 0.00 0.00 0.04 0.00 0.00 34.50 32.07 1ry9 s PRO 20 CO 0.28 -0.17 0.74 -0.35 0.04 0.00 0.00 177.00 177.53 1ry9 n PRO 21 N -2.09 0.77 0.09 0.56 -0.04 -1.26 -3.36 135.00 129.66 1ry9 n PRO 21 Ca 0.01 0.00 -0.08 0.00 -0.04 0.00 0.00 63.50 63.39 1ry9 n PRO 21 Cb 0.55 -1.03 -0.02 0.00 -0.04 0.00 0.00 33.50 32.95 1ry9 n PRO 21 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1ry9 h SER 22 N 0.02 0.17 0.36 3.54 4.64 -2.00 -3.08 113.55 117.21 1ry9 h SER 22 Ca 0.00 -0.15 0.00 0.00 -0.47 0.00 0.00 61.79 61.17 1ry9 h SER 22 Cb 0.03 -0.05 0.00 0.00 -0.31 0.00 0.00 62.40 62.07 1ry9 h SER 22 CO 0.00 0.99 0.00 2.30 -0.87 0.00 0.00 176.83 179.25 1ry9 n ILE 23 N -3.59 0.45 -3.16 0.95 -5.35 -1.21 -4.67 119.36 102.78 1ry9 n ILE 23 Ca -0.03 0.11 -0.39 0.00 -0.27 0.00 0.00 62.75 62.17 1ry9 n ILE 23 Cb 0.83 -0.80 -0.06 0.00 -1.74 0.00 0.00 39.64 37.87 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 -2.59 5.07 0.20 7.28 -1.09 -1.17 -2.32 121.20 126.59 1ry9 s ILE 24 Ca 0.17 1.17 0.04 0.00 -2.23 0.00 0.00 60.65 59.80 1ry9 s ILE 24 Cb 0.12 -3.93 -0.05 0.00 -1.58 0.00 0.00 42.46 37.03 1ry9 s ILE 24 CO 0.29 0.19 -0.03 0.42 -1.23 0.00 0.00 174.94 174.58 1ry9 s THR 25 N 1.37 1.07 0.03 2.92 -4.23 -0.00 -4.97 115.64 111.83 1ry9 s THR 25 Ca 0.30 -2.04 -0.27 0.00 -1.18 0.00 0.00 61.69 58.49 1ry9 s THR 25 Cb -0.16 -2.19 0.09 0.00 1.34 0.00 0.00 72.50 71.59 1ry9 s THR 25 CO 0.12 -0.46 0.81 1.51 -0.54 0.00 0.00 174.62 176.07 1ry9 s ASP 26 N -3.26 -0.42 -0.04 3.99 3.84 -1.26 -0.81 116.67 118.71 1ry9 s ASP 26 Ca 0.25 0.01 -0.17 0.00 -0.00 0.00 0.00 52.55 52.64 1ry9 s ASP 26 Cb 0.05 0.44 -0.31 0.00 -1.38 0.00 0.00 42.92 41.71 1ry9 s ASP 26 CO 0.06 -0.71 0.80 -0.07 -0.00 0.00 0.00 175.17 175.25 1ry9 h LEU 27 N 2.02 0.58 0.00 2.11 4.07 -1.92 -3.50 115.31 118.66 1ry9 h LEU 27 Ca -0.25 -0.92 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 1.61 0.00 -0.90 -1.08 0.00 0.00 178.44 178.40 1ry9 n ASP 28 N -3.87 0.00 0.00 -0.43 3.85 -1.26 -5.03 116.55 109.81 1ry9 n ASP 28 Ca -0.19 -0.85 0.13 0.00 -0.71 0.00 0.00 54.79 53.16 1ry9 n ASP 28 Cb 0.96 0.00 0.73 0.00 -1.35 0.00 0.00 41.12 41.46 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 -0.60 0.00 0.00 -1.12 3.41 -1.26 -3.23 113.62 110.81 1ry9 n SER 29 Ca 0.00 -0.64 0.00 0.00 -0.26 0.00 0.00 58.87 57.97 1ry9 n SER 29 Cb 0.00 -0.06 0.00 0.00 -0.26 0.00 0.00 64.21 63.89 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 -1.06 0.00 -2.70 7.33 8.25 -1.26 -0.97 115.22 124.80 1ry9 n HIS 30 Ca 0.18 -0.12 -0.21 0.00 -0.26 0.00 0.00 57.72 57.30 1ry9 n HIS 30 Cb 0.11 -0.01 0.07 0.00 1.12 0.00 0.00 29.99 31.27 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 -0.23 4.92 0.67 0.41 1.04 -1.20 -4.88 113.70 114.43 1ry9 s SER 31 Ca 0.00 -0.30 -0.13 0.00 0.48 0.00 0.00 55.95 56.00 1ry9 s SER 31 Cb 0.00 -0.36 0.00 0.00 0.10 0.00 0.00 66.02 65.76 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 -2.86 2.53 -0.02 5.32 0.00 -1.26 -4.86 121.76 120.61 1ry9 s ALA 32 Ca 0.61 0.36 -0.02 0.00 0.00 0.00 0.00 51.96 52.90 1ry9 s ALA 32 Cb -0.08 -3.26 -0.04 0.00 0.00 0.00 0.00 23.12 19.74 1ry9 s ALA 32 CO 0.40 -1.26 0.15 0.42 0.00 0.00 0.00 175.76 175.48 1ry9 s ILE 33 N -2.63 5.25 -0.07 0.00 1.01 0.38 -4.35 121.20 120.79 1ry9 s ILE 33 Ca 0.63 -0.19 0.02 0.00 0.00 0.00 0.00 60.65 61.11 1ry9 s ILE 33 Cb -0.17 -3.42 0.02 0.00 0.01 0.00 0.00 42.46 38.89 1ry9 s ILE 33 CO 0.46 0.36 -0.11 -0.89 0.00 0.00 0.00 174.94 174.76 1ry9 s THR 34 N -1.26 1.10 -0.35 2.92 2.01 0.01 -1.06 115.64 119.00 1ry9 s THR 34 Ca 0.25 -0.43 -0.09 0.00 0.31 0.00 0.00 61.69 61.72 1ry9 s THR 34 Cb -0.12 -1.02 0.03 0.00 0.01 0.00 0.00 72.50 71.39 1ry9 s THR 34 CO 0.16 0.35 0.16 -0.63 -0.69 0.00 0.00 174.62 173.97 1ry9 s ILE 35 N 0.85 4.27 0.22 1.82 1.01 0.26 -0.82 121.20 128.81 1ry9 s ILE 35 Ca -0.11 -0.91 -0.30 0.00 0.00 0.00 0.00 60.65 59.33 1ry9 s ILE 35 Cb -0.15 -3.37 -0.09 0.00 0.01 0.00 0.00 42.46 38.86 1ry9 s ILE 35 CO 0.01 -0.17 1.13 -0.44 0.00 0.00 0.00 174.94 175.47 1ry9 s SER 36 N 1.50 7.22 0.11 3.58 0.01 -0.98 -1.49 113.70 123.65 1ry9 s SER 36 Ca 0.01 2.21 0.08 0.00 1.31 0.00 0.00 55.95 59.55 1ry9 s SER 36 Cb -0.19 -2.61 -0.03 0.00 0.21 0.00 0.00 66.02 63.39 1ry9 s SER 36 CO 0.05 -0.23 -0.19 -0.76 0.41 0.00 0.00 173.24 172.52 1ry9 s LEU 37 N -0.81 2.32 -0.11 2.44 1.43 -1.26 -4.96 118.68 117.74 1ry9 s LEU 37 Ca 0.48 -0.70 -0.29 0.00 -1.03 0.00 0.00 54.13 52.59 1ry9 s LEU 37 Cb -0.31 -0.80 -0.01 0.00 0.03 0.00 0.00 46.19 45.09 1ry9 s LEU 37 CO 0.38 0.01 0.97 -1.81 0.23 0.00 0.00 176.35 176.13 1ry9 s ASP 38 N -2.00 7.20 -1.75 2.29 1.01 -1.26 -3.87 116.67 118.27 1ry9 s ASP 38 Ca 0.06 1.47 0.00 0.00 0.71 0.00 0.00 52.55 54.79 1ry9 s ASP 38 Cb -0.09 -2.54 0.00 0.00 1.01 0.00 0.00 42.92 41.30 1ry9 s ASP 38 CO 0.04 -0.42 0.00 -1.20 0.21 0.00 0.00 175.17 173.80 1ry9 n SER 39 N 4.93 -5.24 -3.69 0.27 7.64 -1.26 -4.98 113.62 111.30 1ry9 n SER 39 Ca 0.08 0.23 -0.11 0.00 1.01 0.00 0.00 58.87 60.07 1ry9 n SER 39 Cb 0.49 -4.32 -0.06 0.00 -1.01 0.00 0.00 64.21 59.31 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 -4.19 0.95 0.76 1.43 -1.94 -1.25 -5.13 119.30 109.94 1ry9 s MET 40 Ca 0.00 -0.59 -0.15 0.00 -1.71 0.00 0.00 55.69 53.24 1ry9 s MET 40 Cb 0.00 0.42 0.04 0.00 2.01 0.00 0.00 34.83 37.30 1ry9 s MET 40 CO 0.00 -0.34 1.11 -2.30 -0.01 0.00 0.00 175.02 173.48 1ry9 n PRO 41 N 0.17 0.40 -1.93 2.03 -0.02 -1.26 -4.40 135.00 129.98 1ry9 n PRO 41 Ca -0.17 0.20 -0.33 0.00 -2.02 0.00 0.00 63.50 61.18 1ry9 n PRO 41 Cb 0.62 -2.36 0.02 0.00 -0.02 0.00 0.00 33.50 31.76 1ry9 n PRO 41 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1ry9 s ALA 42 N -1.93 2.66 -0.18 3.55 0.00 -1.26 -4.59 121.76 120.01 1ry9 s ALA 42 Ca 0.74 0.42 -0.17 0.00 0.00 0.00 0.00 51.96 52.95 1ry9 s ALA 42 Cb -0.32 -3.25 -0.04 0.00 0.00 0.00 0.00 23.12 19.51 1ry9 s ALA 42 CO 0.50 -0.97 0.45 0.42 0.00 0.00 0.00 175.76 176.16 1ry9 s ILE 43 N -2.45 5.18 -0.09 0.00 1.01 -0.55 -4.44 121.20 119.86 1ry9 s ILE 43 Ca 0.64 0.83 -0.02 0.00 0.00 0.00 0.00 60.65 62.10 1ry9 s ILE 43 Cb -0.17 -3.78 -0.03 0.00 0.01 0.00 0.00 42.46 38.48 1ry9 s ILE 43 CO 0.39 0.26 0.02 0.20 0.00 0.00 0.00 174.94 175.82 1ry9 s ASN 44 N 0.92 5.42 -0.03 3.58 0.01 0.49 -0.57 114.94 124.76 1ry9 s ASN 44 Ca 0.22 0.19 0.00 0.00 -0.71 0.00 0.00 52.86 52.56 1ry9 s ASN 44 Cb -0.15 -1.56 0.03 0.00 0.41 0.00 0.00 41.25 39.98 1ry9 s ASN 44 CO 0.09 0.38 0.02 -0.63 -1.51 0.00 0.00 177.10 175.44 1ry9 s ILE 45 N -0.92 0.06 0.15 0.60 1.01 -0.23 -1.00 121.20 120.88 1ry9 s ILE 45 Ca 0.14 0.16 -0.17 0.00 0.00 0.00 0.00 60.65 60.78 1ry9 s ILE 45 Cb -0.11 -0.18 0.04 0.00 0.01 0.00 0.00 42.46 42.21 1ry9 s ILE 45 CO 0.03 0.12 0.47 0.00 0.00 0.00 0.00 174.94 175.56 1ry9 s ALA 46 N 1.11 -1.01 -0.33 9.38 0.00 -0.63 -0.47 121.76 129.80 1ry9 s ALA 46 Ca -0.09 -0.04 -0.20 0.00 0.00 0.00 0.00 51.96 51.63 1ry9 s ALA 46 Cb -0.13 0.78 -0.00 0.00 0.00 0.00 0.00 23.12 23.76 1ry9 s ALA 46 CO -0.02 -0.71 0.61 -0.51 0.00 0.00 0.00 175.76 175.13 1ry9 s LEU 47 N -2.82 4.21 -0.29 0.00 2.01 -1.26 -0.79 118.68 119.73 1ry9 s LEU 47 Ca 0.05 0.26 0.03 0.00 0.01 0.00 0.00 54.13 54.48 1ry9 s LEU 47 Cb 0.01 -2.77 0.08 0.00 0.01 0.00 0.00 46.19 43.52 1ry9 s LEU 47 CO -0.09 -0.52 -0.03 -0.69 1.01 0.00 0.00 176.35 176.04 1ry9 s VAL 48 N 2.61 2.09 -1.21 -1.59 1.01 0.86 -4.74 120.40 119.43 1ry9 s VAL 48 Ca 0.24 -1.89 -0.00 0.00 0.00 0.00 0.00 61.98 60.33 1ry9 s VAL 48 Cb -0.15 -2.38 0.00 0.00 0.00 0.00 0.00 36.38 33.85 1ry9 s VAL 48 CO 0.13 -0.31 0.98 0.59 0.00 0.00 0.00 175.10 176.49 1ry9 n ASN 49 N 4.40 -1.98 -0.89 3.32 5.03 -1.26 -2.42 115.26 121.45 1ry9 n ASN 49 Ca -0.05 -0.63 -0.12 0.00 0.87 0.00 0.00 54.58 54.65 1ry9 n ASN 49 Cb 0.42 -5.06 -0.05 0.00 -1.02 0.00 0.00 39.78 34.07 1ry9 n ASN 49 CO 0.00 0.00 0.00 -0.62 -1.83 0.00 0.00 177.26 174.81 1ry9 n GLU 50 N -4.14 -1.36 -4.95 3.52 -0.58 -1.26 -4.98 120.64 106.88 1ry9 n GLU 50 Ca -0.29 0.88 -0.26 0.00 -0.42 0.00 0.00 57.16 57.06 1ry9 n GLU 50 Cb 0.67 -5.12 -0.15 0.00 -0.57 0.00 0.00 31.44 26.27 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 -2.87 1.60 -0.12 3.49 -0.21 -1.02 -5.00 119.66 115.55 1ry9 s GLN 51 Ca 0.00 -0.72 -0.26 0.00 0.02 0.00 0.00 55.36 54.40 1ry9 s GLN 51 Cb 0.00 -1.56 -0.02 0.00 1.00 0.00 0.00 33.01 32.43 1ry9 s GLN 51 CO 0.00 0.43 0.83 0.08 -2.12 0.00 0.00 175.29 174.51 1ry9 s VAL 52 N -0.49 4.91 -0.04 1.09 1.01 -1.26 -0.10 120.40 125.52 1ry9 s VAL 52 Ca 0.08 1.68 0.06 0.00 0.00 0.00 0.00 61.98 63.79 1ry9 s VAL 52 Cb -0.08 -4.15 -0.02 0.00 0.00 0.00 0.00 36.38 32.13 1ry9 s VAL 52 CO -0.01 0.10 -0.21 -0.32 0.00 0.00 0.00 175.10 174.66 1ry9 s MET 53 N 1.64 2.42 -0.04 2.72 1.75 0.03 -0.93 119.30 126.89 1ry9 s MET 53 Ca 0.41 -0.83 0.06 0.00 -1.25 0.00 0.00 55.69 54.07 1ry9 s MET 53 Cb -0.18 -2.22 -0.02 0.00 2.84 0.00 0.00 34.83 35.26 1ry9 s MET 53 CO 0.16 0.52 -0.19 -0.51 -0.65 0.00 0.00 175.02 174.35 1ry9 s LEU 54 N -0.49 2.43 0.04 4.11 1.02 -0.22 -1.61 118.68 123.97 1ry9 s LEU 54 Ca 0.06 -0.32 -0.22 0.00 0.02 0.00 0.00 54.13 53.67 1ry9 s LEU 54 Cb -0.11 -1.46 0.05 0.00 0.02 0.00 0.00 46.19 44.69 1ry9 s LEU 54 CO 0.01 0.33 0.52 -1.66 0.02 0.00 0.00 176.35 175.57 1ry9 s TRP 55 N -0.68 -0.42 -0.02 0.29 -2.14 -0.17 -1.23 118.94 114.57 1ry9 s TRP 55 Ca 0.11 0.49 -0.01 0.00 2.66 0.00 0.00 56.10 59.35 1ry9 s TRP 55 Cb -0.10 0.33 0.02 0.00 -3.10 0.00 0.00 33.47 30.61 1ry9 s TRP 55 CO -0.00 -0.63 0.05 0.00 -2.66 0.00 0.00 176.95 173.71 1ry9 s ALA 56 N -2.32 -0.05 -0.38 2.67 0.00 -0.39 -0.38 121.76 120.92 1ry9 s ALA 56 Ca -0.06 0.27 -0.13 0.00 0.00 0.00 0.00 51.96 52.04 1ry9 s ALA 56 Cb -0.01 -0.19 0.01 0.00 0.00 0.00 0.00 23.12 22.93 1ry9 s ALA 56 CO -0.01 -0.07 0.24 -0.80 0.00 0.00 0.00 175.76 175.12 1ry9 s ASN 57 N 0.60 5.91 -0.04 0.00 0.01 -1.26 -1.39 114.94 118.77 1ry9 s ASN 57 Ca -0.05 -0.82 -0.07 0.00 -0.71 0.00 0.00 52.86 51.22 1ry9 s ASN 57 Cb -0.07 -2.09 -0.04 0.00 0.41 0.00 0.00 41.25 39.46 1ry9 s ASN 57 CO -0.02 -0.37 0.22 -0.36 -1.51 0.00 0.00 177.10 175.06 1ry9 s PHE 58 N 1.64 3.59 0.13 2.20 0.08 0.02 -4.76 117.98 120.87 1ry9 s PHE 58 Ca 0.04 0.55 -0.33 0.00 0.12 0.00 0.00 56.93 57.32 1ry9 s PHE 58 Cb -0.19 -1.97 -0.12 0.00 -0.57 0.00 0.00 43.02 40.18 1ry9 s PHE 58 CO 0.09 0.67 1.73 -0.25 -0.10 0.00 0.00 175.22 177.35 1ry9 n ASP 59 N 1.45 3.62 -4.73 1.36 10.43 -1.26 -0.02 116.55 127.39 1ry9 n ASP 59 Ca -0.15 1.03 -0.42 0.00 2.57 0.00 0.00 54.79 57.83 1ry9 n ASP 59 Cb 0.54 -1.49 -0.02 0.00 1.84 0.00 0.00 41.12 41.99 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 1.95 3.77 0.63 2.24 0.00 -0.85 -4.61 121.76 124.89 1ry9 s ALA 60 Ca 0.81 1.46 -0.13 0.00 0.00 0.00 0.00 51.96 54.10 1ry9 s ALA 60 Cb -0.58 -3.63 -0.02 0.00 0.00 0.00 0.00 23.12 18.88 1ry9 s ALA 60 CO 0.38 -0.86 1.05 -1.25 0.00 0.00 0.00 175.76 175.08 1ry9 s PRO 61 N 0.34 3.28 1.05 0.00 0.04 -1.26 -4.97 135.00 133.47 1ry9 s PRO 61 Ca 0.67 1.02 -0.13 0.00 0.04 0.00 0.00 61.00 62.59 1ry9 s PRO 61 Cb -0.46 -2.03 0.22 0.00 0.04 0.00 0.00 34.50 32.27 1ry9 s PRO 61 CO 0.39 -0.83 1.09 -1.54 0.04 0.00 0.00 177.00 176.14 1ry9 s SER 62 N -3.38 2.15 0.17 6.66 1.04 -1.26 -4.80 113.70 114.28 1ry9 s SER 62 Ca 0.60 1.14 -0.12 0.00 0.48 0.00 0.00 55.95 58.05 1ry9 s SER 62 Cb -0.14 -1.78 0.07 0.00 0.10 0.00 0.00 66.02 64.27 1ry9 s SER 62 CO 0.45 -3.42 1.70 -0.78 0.98 0.00 0.00 173.24 172.17 1ry9 h ASP 63 N -2.09 0.86 0.02 7.02 1.82 -1.99 -1.72 116.42 120.34 1ry9 h ASP 63 Ca -0.55 -0.21 -0.10 0.00 -0.39 0.00 0.00 57.03 55.79 1ry9 h ASP 63 Cb 1.33 -0.23 -0.01 0.00 0.68 0.00 0.00 39.33 41.10 1ry9 h ASP 63 CO 0.55 0.84 -0.29 1.62 -1.61 0.00 0.00 179.24 180.35 1ry9 h VAL 64 N 0.84 1.27 -0.38 2.25 3.04 -2.00 -1.78 116.25 119.48 1ry9 h VAL 64 Ca 0.19 -1.30 -0.15 0.00 -1.01 0.00 0.00 66.70 64.43 1ry9 h VAL 64 Cb 0.29 1.43 -0.01 0.00 -2.01 0.00 0.00 31.29 30.98 1ry9 h VAL 64 CO -0.01 0.41 -0.34 0.50 -1.01 0.00 0.00 177.57 177.12 1ry9 h LYS 65 N 0.36 0.88 -0.73 4.17 1.63 -1.88 -2.87 116.57 118.14 1ry9 h LYS 65 Ca 0.05 -0.44 -0.02 0.00 -0.85 0.00 0.00 60.65 59.40 1ry9 h LYS 65 Cb 0.69 0.00 -0.04 0.00 -0.60 0.00 0.00 32.23 32.29 1ry9 h LYS 65 CO 0.05 1.08 0.39 1.25 -3.45 0.00 0.00 179.45 178.78 1ry9 h LEU 66 N 0.73 0.91 -0.49 5.20 5.85 -0.89 -1.28 115.31 125.35 1ry9 h LEU 66 Ca 0.07 -0.08 0.01 0.00 0.84 0.00 0.00 57.88 58.73 1ry9 h LEU 66 Cb 0.92 -0.23 -0.03 0.00 0.37 0.00 0.00 40.66 41.69 1ry9 h LEU 66 CO 0.08 0.74 0.31 1.56 -0.34 0.00 0.00 178.44 180.79 1ry9 h GLN 67 N 1.02 0.60 0.00 1.25 4.20 -1.12 0.23 115.11 121.29 1ry9 h GLN 67 Ca 0.26 -0.04 -0.17 0.00 0.06 0.00 0.00 58.65 58.77 1ry9 h GLN 67 Cb 0.04 -0.14 -0.02 0.00 0.30 0.00 0.00 27.48 27.66 1ry9 h GLN 67 CO -0.04 0.40 -0.79 0.66 -0.67 0.00 0.00 178.83 178.39 1ry9 h SER 68 N 0.62 0.00 -0.02 1.46 4.64 -1.31 -3.31 113.55 115.62 1ry9 h SER 68 Ca 0.19 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.51 1ry9 h SER 68 Cb -0.03 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.06 1ry9 h SER 68 CO -0.06 0.79 -0.34 -1.20 -0.87 0.00 0.00 176.83 175.15 1ry9 n SER 69 N -3.55 2.27 -0.21 4.97 7.64 -0.51 -4.61 113.62 119.63 1ry9 n SER 69 Ca -0.00 -1.64 0.01 0.00 1.01 0.00 0.00 58.87 58.24 1ry9 n SER 69 Cb 0.77 0.34 0.12 0.00 -1.01 0.00 0.00 64.21 64.43 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 4.02 0.81 -0.47 -0.43 0.00 -0.64 -1.55 119.26 121.01 1ry9 h ALA 70 Ca 0.00 0.09 -0.00 0.00 0.00 0.00 0.00 54.91 55.00 1ry9 h ALA 70 Cb 0.81 0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.64 1ry9 h ALA 70 CO 0.00 -0.20 0.28 -0.92 0.00 0.00 0.00 179.25 178.41 1ry9 h TYR 71 N 0.40 0.61 -0.47 0.00 5.03 -1.84 0.75 116.97 121.45 1ry9 h TYR 71 Ca 0.32 -0.00 -0.09 0.00 2.58 0.00 0.00 58.73 61.54 1ry9 h TYR 71 Cb 0.41 -0.20 -0.02 0.00 1.55 0.00 0.00 36.73 38.47 1ry9 h TYR 71 CO -0.17 0.43 -0.05 -0.91 -1.32 0.00 0.00 178.16 176.13 1ry9 h ASN 72 N 0.62 0.79 -0.36 -2.11 -0.26 -1.74 -0.80 115.58 111.72 1ry9 h ASN 72 Ca 0.17 -0.22 -0.12 0.00 -0.56 0.00 0.00 56.30 55.57 1ry9 h ASN 72 Cb -0.01 -0.21 -0.01 0.00 -1.06 0.00 0.00 38.32 37.03 1ry9 h ASN 72 CO -0.03 0.89 -0.24 0.40 -1.06 0.00 0.00 177.43 177.39 1ry9 h ILE 73 N 0.75 1.28 -0.34 2.81 2.04 -0.99 -2.13 117.51 120.93 1ry9 h ILE 73 Ca 0.13 -1.38 -0.02 0.00 1.00 0.00 0.00 64.86 64.59 1ry9 h ILE 73 Cb 0.53 1.38 -0.02 0.00 -0.74 0.00 0.00 36.82 37.98 1ry9 h ILE 73 CO 0.03 0.46 0.14 0.25 0.00 0.00 0.00 178.15 179.03 1ry9 h LEU 74 N 0.60 0.46 -0.93 1.44 5.85 -0.64 -0.49 115.31 121.60 1ry9 h LEU 74 Ca 0.07 -0.15 0.06 0.00 0.84 0.00 0.00 57.88 58.70 1ry9 h LEU 74 Cb 0.80 -0.12 -0.06 0.00 0.37 0.00 0.00 40.66 41.65 1ry9 h LEU 74 CO 0.07 0.49 0.59 0.78 -0.34 0.00 0.00 178.44 180.02 1ry9 h ASN 75 N 0.40 0.95 -0.32 1.25 2.35 -1.09 -1.23 115.58 117.89 1ry9 h ASN 75 Ca 0.11 0.01 -0.02 0.00 -0.55 0.00 0.00 56.30 55.85 1ry9 h ASN 75 Cb 0.16 -0.20 -0.01 0.00 0.05 0.00 0.00 38.32 38.32 1ry9 h ASN 75 CO -0.01 0.62 0.11 0.25 -1.65 0.00 0.00 177.43 176.75 1ry9 h LEU 76 N 1.09 0.45 -1.40 1.61 5.85 -0.93 -2.94 115.31 119.04 1ry9 h LEU 76 Ca 0.39 -0.19 0.02 0.00 0.84 0.00 0.00 57.88 58.95 1ry9 h LEU 76 Cb 0.13 -0.12 -0.03 0.00 0.37 0.00 0.00 40.66 41.00 1ry9 h LEU 76 CO -0.16 0.52 0.42 0.24 -0.34 0.00 0.00 178.44 179.12 1ry9 h MET 77 N 0.36 0.77 -0.00 1.25 2.86 -0.49 -2.50 114.93 117.18 1ry9 h MET 77 Ca 0.10 -0.05 0.00 0.00 -2.06 0.00 0.00 59.70 57.70 1ry9 h MET 77 Cb 0.22 -0.17 0.00 0.00 0.06 0.00 0.00 31.60 31.71 1ry9 h MET 77 CO -0.01 0.51 -0.02 1.28 1.06 0.00 0.00 176.91 179.74 1ry9 n LEU 78 N -4.45 0.09 -4.72 1.22 4.77 -0.52 -4.60 117.00 108.78 1ry9 n LEU 78 Ca 0.07 0.20 -0.42 0.00 -0.03 0.00 0.00 56.01 55.83 1ry9 n LEU 78 Cb 0.10 -0.23 -0.03 0.00 -2.33 0.00 0.00 43.42 40.93 1ry9 n LEU 78 CO 0.35 0.02 0.89 -0.04 -1.33 0.00 0.00 177.39 177.28 1ry9 s MET 79 N -2.48 4.46 0.51 3.23 -1.94 -0.94 -5.00 119.30 117.13 1ry9 s MET 79 Ca 0.31 1.81 -0.21 0.00 -1.71 0.00 0.00 55.69 55.89 1ry9 s MET 79 Cb 0.20 -3.31 -0.06 0.00 2.01 0.00 0.00 34.83 33.67 1ry9 s MET 79 CO 0.45 -0.19 1.15 -0.80 -0.01 0.00 0.00 175.02 175.62 1ry9 s ASN 80 N 0.71 5.91 -0.25 3.03 0.01 -1.26 -4.51 114.94 118.58 1ry9 s ASN 80 Ca 0.57 2.25 -0.02 0.00 -0.71 0.00 0.00 52.86 54.94 1ry9 s ASN 80 Cb -0.31 -2.59 0.08 0.00 0.41 0.00 0.00 41.25 38.84 1ry9 s ASN 80 CO 0.32 -1.09 0.08 0.12 -1.51 0.00 0.00 177.10 175.01 1ry9 s PHE 81 N -1.66 1.08 0.49 2.20 5.36 -0.37 -4.96 117.98 120.12 1ry9 s PHE 81 Ca 0.69 -1.13 0.37 0.00 -0.96 0.00 0.00 56.93 55.89 1ry9 s PHE 81 Cb -0.26 -1.22 1.92 0.00 -0.34 0.00 0.00 43.02 43.12 1ry9 s PHE 81 CO 0.31 -0.74 2.21 0.77 -1.46 0.00 0.00 175.22 176.31 1ry9 h SER 82 N 8.23 0.00 0.29 6.13 0.02 -1.95 -3.06 113.55 123.21 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 1.06 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.60 1ry9 h SER 82 CO 0.40 0.03 -0.52 -1.22 -1.14 0.00 0.00 176.83 174.38 1ry9 n TYR 83 N -3.32 0.00 -2.73 3.45 4.02 -1.26 -4.90 117.16 112.43 1ry9 n TYR 83 Ca -0.02 0.00 -0.34 0.00 -0.01 0.00 0.00 57.90 57.53 1ry9 n TYR 83 Cb 0.16 -0.15 -0.06 0.00 -0.02 0.00 0.00 39.34 39.27 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 -2.81 6.86 0.57 7.72 0.15 -1.15 -1.31 113.70 123.73 1ry9 s SER 84 Ca 0.15 1.80 0.37 0.00 0.70 0.00 0.00 55.95 58.97 1ry9 s SER 84 Cb 0.18 -2.56 1.80 0.00 -1.71 0.00 0.00 66.02 63.73 1ry9 s SER 84 CO 0.67 -0.41 2.12 0.16 1.20 0.00 0.00 173.24 176.98 1ry9 h ILE 85 N 1.99 0.00 0.00 6.45 3.07 -1.51 -2.69 117.51 124.82 1ry9 h ILE 85 Ca -0.49 -0.25 0.00 0.00 1.55 0.00 0.00 64.86 65.67 1ry9 h ILE 85 Cb 1.19 1.21 0.00 0.00 -0.27 0.00 0.00 36.82 38.96 1ry9 h ILE 85 CO 0.61 0.00 -0.01 -0.46 -1.05 0.00 0.00 178.15 177.24 1ry9 n ASN 86 N -3.00 1.98 -0.54 2.16 6.94 -1.26 -5.00 115.26 116.54 1ry9 n ASN 86 Ca -0.01 -2.34 -0.07 0.00 -0.02 0.00 0.00 54.58 52.14 1ry9 n ASN 86 Cb 0.19 -0.16 -0.03 0.00 -2.36 0.00 0.00 39.78 37.42 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 -0.80 -1.04 -4.17 -3.83 2.13 -1.01 -4.98 120.64 106.94 1ry9 n GLU 87 Ca 0.06 0.66 -0.10 0.00 0.66 0.00 0.00 57.16 58.43 1ry9 n GLU 87 Cb 0.41 -4.65 -0.10 0.00 0.27 0.00 0.00 31.44 27.38 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 -1.60 2.03 -0.13 4.31 1.43 -1.25 -1.23 118.68 122.24 1ry9 s LEU 88 Ca 0.00 -1.15 -0.09 0.00 -1.03 0.00 0.00 54.13 51.86 1ry9 s LEU 88 Cb 0.00 0.15 -0.04 0.00 0.03 0.00 0.00 46.19 46.33 1ry9 s LEU 88 CO 0.00 -0.64 0.17 -0.69 0.23 0.00 0.00 176.35 175.41 1ry9 s VAL 89 N -3.88 5.44 0.15 -1.59 1.01 -1.26 -4.76 120.40 115.50 1ry9 s VAL 89 Ca 0.21 0.27 -0.03 0.00 0.00 0.00 0.00 61.98 62.43 1ry9 s VAL 89 Cb 0.07 -3.45 -0.05 0.00 0.00 0.00 0.00 36.38 32.95 1ry9 s VAL 89 CO 0.00 0.57 0.35 -1.61 0.00 0.00 0.00 175.10 174.41 1ry9 s GLU 90 N -0.66 3.55 -0.15 2.72 2.02 0.14 -4.90 118.70 121.43 1ry9 s GLU 90 Ca 0.14 -0.23 0.00 0.00 0.02 0.00 0.00 54.97 54.90 1ry9 s GLU 90 Cb -0.12 -2.87 0.02 0.00 0.10 0.00 0.00 34.13 31.26 1ry9 s GLU 90 CO 0.03 0.47 -0.15 -1.17 0.02 0.00 0.00 175.26 174.47 1ry9 s LEU 91 N -2.87 1.72 0.07 1.80 2.96 -1.26 -0.94 118.68 120.17 1ry9 s LEU 91 Ca 0.39 -0.50 0.08 0.00 -0.22 0.00 0.00 54.13 53.88 1ry9 s LEU 91 Cb -0.12 -1.20 -0.03 0.00 0.50 0.00 0.00 46.19 45.34 1ry9 s LEU 91 CO 0.27 -0.05 -0.23 -1.00 -1.32 0.00 0.00 176.35 174.02 1ry9 s HIS 92 N 1.47 1.97 0.04 5.38 3.76 0.03 -4.96 115.29 122.99 1ry9 s HIS 92 Ca 0.05 -0.39 -0.29 0.00 -0.15 0.00 0.00 55.06 54.27 1ry9 s HIS 92 Cb -0.13 -1.14 -0.04 0.00 1.11 0.00 0.00 32.58 32.38 1ry9 s HIS 92 CO -0.11 0.16 0.95 1.03 -0.85 0.00 0.00 174.74 175.93 1ry9 s ARG 93 N -1.50 4.60 -0.25 1.40 0.52 -1.26 -0.37 118.95 122.09 1ry9 s ARG 93 Ca 0.09 1.39 -0.03 0.00 -0.52 0.00 0.00 55.73 56.66 1ry9 s ARG 93 Cb -0.09 -3.43 0.11 0.00 0.52 0.00 0.00 34.95 32.06 1ry9 s ARG 93 CO 0.03 0.06 0.21 0.45 0.02 0.00 0.00 175.30 176.07 1ry9 s SER 94 N 0.60 2.14 1.35 0.23 0.15 -0.41 -4.92 113.70 112.84 1ry9 s SER 94 Ca 0.49 -0.73 0.00 0.00 0.70 0.00 0.00 55.95 56.41 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 -0.38 0.00 -0.67 1.20 0.00 0.00 173.24 173.67 1ry9 n ASP 95 N 5.29 0.00 -1.28 5.45 2.03 -1.26 -0.82 116.55 125.96 1ry9 n ASP 95 Ca -0.05 0.00 0.01 0.00 0.52 0.00 0.00 54.79 55.27 1ry9 n ASP 95 Cb 0.46 0.00 0.18 0.00 -0.72 0.00 0.00 41.12 41.05 1ry9 n ASP 95 CO 0.00 0.00 0.00 -1.84 -1.92 0.00 0.00 177.20 173.44 1ry9 n GLU 96 N 14.00 2.71 -4.33 -0.67 0.28 -1.26 -4.92 120.64 126.45 1ry9 n GLU 96 Ca 0.00 -1.56 -0.18 0.00 -0.16 0.00 0.00 57.16 55.26 1ry9 n GLU 96 Cb 0.00 -1.83 -0.10 0.00 1.43 0.00 0.00 31.44 30.94 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 -1.84 1.65 -0.28 -1.84 2.02 -0.00 -2.00 117.35 115.05 1ry9 s TYR 97 Ca 0.28 -0.60 -0.08 0.00 -0.37 0.00 0.00 57.07 56.29 1ry9 s TYR 97 Cb 0.21 -0.77 -0.02 0.00 -0.40 0.00 0.00 41.96 40.98 1ry9 s TYR 97 CO 0.07 0.32 0.11 -1.17 -1.57 0.00 0.00 175.55 173.32 1ry9 s LEU 98 N -3.29 3.81 -0.17 -1.29 2.96 0.97 -1.29 118.68 120.39 1ry9 s LEU 98 Ca 0.22 -0.39 -0.04 0.00 -0.22 0.00 0.00 54.13 53.69 1ry9 s LEU 98 Cb -0.00 -1.96 -0.03 0.00 0.50 0.00 0.00 46.19 44.70 1ry9 s LEU 98 CO 0.06 -0.12 -0.03 -1.58 -1.32 0.00 0.00 176.35 173.35 1ry9 s GLN 99 N 1.61 3.64 -0.08 1.98 0.74 0.50 -0.80 119.66 127.26 1ry9 s GLN 99 Ca 0.05 -0.53 -0.19 0.00 0.05 0.00 0.00 55.36 54.74 1ry9 s GLN 99 Cb -0.16 -2.95 -0.04 0.00 1.10 0.00 0.00 33.01 30.96 1ry9 s GLN 99 CO 0.05 0.17 0.54 -1.17 -0.55 0.00 0.00 175.29 174.33 1ry9 s LEU 100 N 0.55 4.33 -0.08 3.68 2.96 -0.48 -0.79 118.68 128.85 1ry9 s LEU 100 Ca -0.03 0.97 -0.08 0.00 -0.22 0.00 0.00 54.13 54.77 1ry9 s LEU 100 Cb -0.14 -2.81 0.02 0.00 0.50 0.00 0.00 46.19 43.75 1ry9 s LEU 100 CO 0.03 0.02 0.22 -0.60 -1.32 0.00 0.00 176.35 174.70 1ry9 s ARG 101 N 0.38 0.30 -0.05 1.98 3.52 -0.11 -1.26 118.95 123.71 1ry9 s ARG 101 Ca 0.29 0.24 -0.06 0.00 -0.13 0.00 0.00 55.73 56.07 1ry9 s ARG 101 Cb -0.16 0.14 0.01 0.00 -1.56 0.00 0.00 34.95 33.38 1ry9 s ARG 101 CO 0.13 -0.04 0.15 0.54 -0.81 0.00 0.00 175.30 175.27 1ry9 s VAL 102 N -0.06 0.01 -0.19 7.11 0.11 -0.36 0.24 120.40 127.27 1ry9 s VAL 102 Ca -0.02 -0.11 -0.03 0.00 -2.93 0.00 0.00 61.98 58.89 1ry9 s VAL 102 Cb -0.02 -0.26 -0.02 0.00 -1.53 0.00 0.00 36.38 34.55 1ry9 s VAL 102 CO 0.01 -0.06 -0.05 -0.69 -3.33 0.00 0.00 175.10 170.97 1ry9 s VAL 103 N -0.15 3.50 0.08 2.04 1.01 -1.26 -1.06 120.40 124.57 1ry9 s VAL 103 Ca -0.02 -0.47 -0.18 0.00 0.00 0.00 0.00 61.98 61.30 1ry9 s VAL 103 Cb -0.02 -2.56 -0.07 0.00 0.00 0.00 0.00 36.38 33.73 1ry9 s VAL 103 CO 0.00 0.46 0.56 -0.63 0.00 0.00 0.00 175.10 175.49 1ry9 s ILE 104 N 0.97 4.78 0.45 2.22 -1.09 -0.10 -1.31 121.20 127.11 1ry9 s ILE 104 Ca -0.00 1.13 -0.24 0.00 -2.23 0.00 0.00 60.65 59.31 1ry9 s ILE 104 Cb -0.15 -3.86 -0.07 0.00 -1.58 0.00 0.00 42.46 36.80 1ry9 s ILE 104 CO 0.01 0.51 1.23 -0.54 -1.23 0.00 0.00 174.94 174.91 1ry9 s LYS 105 N -1.25 3.76 0.58 2.79 1.02 -0.43 -4.30 119.74 121.93 1ry9 s LYS 105 Ca 0.30 1.95 0.28 0.00 0.02 0.00 0.00 55.97 58.52 1ry9 s LYS 105 Cb -0.19 -2.52 1.60 0.00 -0.52 0.00 0.00 37.83 36.21 1ry9 s LYS 105 CO 0.19 -0.60 2.07 0.22 -0.92 0.00 0.00 175.35 176.30 1ry9 h ASP 106 N 2.22 0.00 -0.17 2.83 3.58 -1.94 -2.18 116.42 120.76 1ry9 h ASP 106 Ca -0.50 0.00 0.05 0.00 0.42 0.00 0.00 57.03 57.00 1ry9 h ASP 106 Cb 1.25 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 42.30 1ry9 h ASP 106 CO 0.61 0.00 0.18 0.44 -2.88 0.00 0.00 179.24 177.59 1ry9 h ASP 107 N 0.00 0.00 -0.24 2.28 5.19 -1.96 -3.04 116.42 118.65 1ry9 h ASP 107 Ca 0.11 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.52 1ry9 h ASP 107 Cb 0.61 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.12 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 -3.83 0.61 -1.14 4.55 4.01 -0.82 -4.64 117.16 115.90 1ry9 n TYR 108 Ca 0.01 -0.73 0.08 0.00 -0.16 0.00 0.00 57.90 57.10 1ry9 n TYR 108 Cb 0.30 -0.18 0.19 0.00 -0.31 0.00 0.00 39.34 39.34 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 -0.26 2.13 -0.30 -0.72 0.24 -1.15 -4.24 118.33 114.04 1ry9 n VAL 109 Ca 0.16 -2.29 0.01 0.00 -2.04 0.00 0.00 64.34 60.18 1ry9 n VAL 109 Cb 0.66 -0.25 0.01 0.00 -1.47 0.00 0.00 33.84 32.79 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 -1.07 0.00 -3.56 6.34 8.25 -1.26 -4.96 115.22 118.96 1ry9 n HIS 110 Ca 0.20 -0.44 -0.24 0.00 -0.26 0.00 0.00 57.72 56.97 1ry9 n HIS 110 Cb 0.77 -0.05 -0.15 0.00 1.12 0.00 0.00 29.99 31.68 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 -0.97 2.30 0.55 0.41 -1.08 -1.26 -5.03 116.67 111.58 1ry9 s ASP 111 Ca 0.03 -0.65 0.22 0.00 -0.52 0.00 0.00 52.55 51.63 1ry9 s ASP 111 Cb 0.02 -0.08 1.48 0.00 -1.46 0.00 0.00 42.92 42.88 1ry9 s ASP 111 CO 0.00 -0.36 2.16 1.23 0.52 0.00 0.00 175.17 178.72 1ry9 h GLY 112 N 8.39 0.00 0.97 2.66 0.00 -1.93 -0.80 103.07 112.36 1ry9 h GLY 112 Ca -0.16 0.00 -0.14 0.00 0.00 0.00 0.00 47.33 47.03 1ry9 h GLY 112 CO 0.32 0.00 -0.39 -2.22 0.00 0.00 0.00 176.54 174.25 1ry9 h ILE 113 N 0.00 1.31 -0.34 2.60 2.04 -1.92 -1.19 117.51 120.01 1ry9 h ILE 113 Ca 0.04 -1.59 -0.10 0.00 1.00 0.00 0.00 64.86 64.21 1ry9 h ILE 113 Cb 0.17 1.75 -0.01 0.00 -0.74 0.00 0.00 36.82 37.99 1ry9 h ILE 113 CO -0.00 0.50 -0.16 0.58 0.00 0.00 0.00 178.15 179.07 1ry9 h VAL 114 N 0.39 1.29 0.00 1.67 2.07 -1.76 -2.93 116.25 116.98 1ry9 h VAL 114 Ca 0.02 -1.28 -0.03 0.00 0.82 0.00 0.00 66.70 66.23 1ry9 h VAL 114 Cb 0.98 1.39 -0.00 0.00 -1.52 0.00 0.00 31.29 32.14 1ry9 h VAL 114 CO 0.09 0.42 -0.13 0.15 0.02 0.00 0.00 177.57 178.12 1ry9 h PHE 115 N 0.49 0.00 -0.68 1.57 3.57 -1.15 -1.18 116.94 119.57 1ry9 h PHE 115 Ca 0.08 0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.55 1ry9 h PHE 115 Cb 0.70 0.00 -0.03 0.00 2.79 0.00 0.00 35.95 39.41 1ry9 h PHE 115 CO 0.06 0.13 0.31 0.00 -2.23 0.00 0.00 178.31 176.57 1ry9 h ALA 116 N 1.87 0.87 -0.32 2.41 0.00 -1.03 -0.44 119.26 122.63 1ry9 h ALA 116 Ca -0.00 -0.16 -0.09 0.00 0.00 0.00 0.00 54.91 54.66 1ry9 h ALA 116 Cb 0.28 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 1ry9 h ALA 116 CO 0.02 0.46 -0.19 1.49 0.00 0.00 0.00 179.25 181.03 1ry9 h GLU 117 N 0.95 0.60 -0.16 0.00 4.57 -1.17 -1.21 114.58 118.15 1ry9 h GLU 117 Ca 0.23 -0.21 -0.01 0.00 -1.18 0.00 0.00 59.36 58.19 1ry9 h GLU 117 Cb 0.15 -0.04 -0.01 0.00 -0.16 0.00 0.00 28.75 28.69 1ry9 h GLU 117 CO -0.03 0.75 0.08 0.82 -1.18 0.00 0.00 179.01 179.46 1ry9 h ILE 118 N 0.54 1.13 -0.70 2.32 2.04 -0.90 -1.16 117.51 120.77 1ry9 h ILE 118 Ca 0.09 -0.37 -0.01 0.00 1.00 0.00 0.00 64.86 65.57 1ry9 h ILE 118 Cb 0.62 1.08 -0.03 0.00 -0.74 0.00 0.00 36.82 37.75 1ry9 h ILE 118 CO 0.04 0.12 0.41 -0.07 0.00 0.00 0.00 178.15 178.65 1ry9 h LEU 119 N 0.13 0.85 -0.45 1.44 3.38 -0.92 -0.55 115.31 119.19 1ry9 h LEU 119 Ca 0.06 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 57.95 1ry9 h LEU 119 Cb 0.12 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.63 1ry9 h LEU 119 CO -0.01 0.68 0.29 -0.74 0.09 0.00 0.00 178.44 178.76 1ry9 h HIS 120 N 0.96 0.57 -0.29 1.13 2.76 -1.04 0.13 115.15 119.38 1ry9 h HIS 120 Ca 0.25 0.01 -0.16 0.00 -2.20 0.00 0.00 60.37 58.27 1ry9 h HIS 120 Cb -0.01 -0.19 -0.01 0.00 1.55 0.00 0.00 27.41 28.76 1ry9 h HIS 120 CO -0.01 0.37 -0.47 0.93 -1.30 0.00 0.00 177.93 177.45 1ry9 h GLU 121 N 0.61 0.77 -0.55 5.26 5.08 -0.97 -0.87 114.58 123.90 1ry9 h GLU 121 Ca 0.16 -0.44 -0.03 0.00 -1.00 0.00 0.00 59.36 58.05 1ry9 h GLU 121 Cb -0.06 0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.20 1ry9 h GLU 121 CO -0.03 1.07 0.21 0.35 -1.00 0.00 0.00 179.01 179.61 1ry9 h PHE 122 N 0.61 0.84 -0.76 4.33 3.04 -0.88 -1.01 116.94 123.12 1ry9 h PHE 122 Ca 0.03 -0.07 0.01 0.00 3.98 0.00 0.00 57.97 61.93 1ry9 h PHE 122 Cb 1.04 -0.25 -0.04 0.00 2.56 0.00 0.00 35.95 39.26 1ry9 h PHE 122 CO 0.06 0.69 0.50 -0.92 -2.02 0.00 0.00 178.31 176.62 1ry9 h TYR 123 N 0.75 0.94 -0.87 0.41 3.20 -0.82 -0.67 116.97 119.93 1ry9 h TYR 123 Ca 0.18 0.02 -0.02 0.00 3.14 0.00 0.00 58.73 62.06 1ry9 h TYR 123 Cb 0.21 -0.32 -0.04 0.00 1.54 0.00 0.00 36.73 38.12 1ry9 h TYR 123 CO 0.01 0.58 0.48 1.96 -1.64 0.00 0.00 178.16 179.55 1ry9 h GLN 124 N 1.01 1.20 -0.47 1.82 4.20 -0.56 0.51 115.11 122.82 1ry9 h GLN 124 Ca 0.28 -0.13 -0.11 0.00 0.06 0.00 0.00 58.65 58.75 1ry9 h GLN 124 Cb -0.09 -0.24 -0.02 0.00 0.30 0.00 0.00 27.48 27.43 1ry9 h GLN 124 CO -0.07 0.87 -0.16 0.00 -0.67 0.00 0.00 178.83 178.81 1ry9 h ARG 125 N 1.21 0.90 -0.71 1.46 2.47 -0.65 -2.14 114.38 116.91 1ry9 h ARG 125 Ca 0.31 -0.34 -0.02 0.00 -1.26 0.00 0.00 59.98 58.66 1ry9 h ARG 125 Cb 0.02 -0.05 -0.03 0.00 -1.65 0.00 0.00 29.97 28.25 1ry9 h ARG 125 CO -0.05 0.99 0.36 0.52 0.56 0.00 0.00 179.97 182.35 1ry9 h MET 126 N 0.80 1.02 -0.82 0.04 2.86 -0.43 -1.41 114.93 116.99 1ry9 h MET 126 Ca 0.12 -0.14 0.01 0.00 -2.06 0.00 0.00 59.70 57.63 1ry9 h MET 126 Cb 0.69 -0.19 -0.04 0.00 0.06 0.00 0.00 31.60 32.12 1ry9 h MET 126 CO 0.05 0.79 0.54 0.93 1.06 0.00 0.00 176.91 180.28 1ry9 h GLU 127 N 0.99 1.07 -0.18 1.72 5.08 -0.68 0.13 114.58 122.71 1ry9 h GLU 127 Ca 0.25 -0.06 -0.02 0.00 -1.00 0.00 0.00 59.36 58.52 1ry9 h GLU 127 Cb 0.09 -0.24 -0.01 0.00 0.50 0.00 0.00 28.75 29.09 1ry9 h GLU 127 CO -0.03 0.71 0.03 0.82 -1.00 0.00 0.00 179.01 179.54 1ry9 h ILE 128 N 1.10 1.22 -0.47 3.13 2.04 -0.91 -1.97 117.51 121.64 1ry9 h ILE 128 Ca 0.30 -0.71 -0.03 0.00 1.00 0.00 0.00 64.86 65.42 1ry9 h ILE 128 Cb -0.11 1.34 -0.02 0.00 -0.74 0.00 0.00 36.82 37.28 1ry9 h ILE 128 CO -0.07 0.22 0.18 0.25 0.00 0.00 0.00 178.15 178.72 1ry9 h LEU 129 N 0.10 0.66 -1.13 1.44 5.85 -0.96 -2.85 115.31 118.42 1ry9 h LEU 129 Ca 0.06 -0.18 0.09 0.00 0.84 0.00 0.00 57.88 58.68 1ry9 h LEU 129 Cb 0.30 -0.17 -0.07 0.00 0.37 0.00 0.00 40.66 41.09 1ry9 h LEU 129 CO 0.00 0.66 0.60 -1.13 -0.34 0.00 0.00 178.44 178.24 1ry9 h ASN 130 N 0.62 0.88 0.71 1.25 -1.24 -0.65 -1.79 115.58 115.36 1ry9 h ASN 130 Ca 0.16 0.02 0.00 0.00 0.71 0.00 0.00 56.30 57.19 1ry9 h ASN 130 Cb 0.22 -0.16 0.00 0.00 0.73 0.00 0.00 38.32 39.10 1ry9 h ASN 130 CO -0.01 0.53 0.00 1.23 -1.29 0.00 0.00 177.43 177.89 1ry9 h GLY 131 N 0.98 0.00 -0.78 1.57 0.00 -1.11 -3.02 103.07 100.71 1ry9 h GLY 131 Ca 0.42 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.75 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 -2.68 0.68 0.83 4.60 0.24 -0.70 -5.11 118.33 116.20 1ry9 n VAL 132 Ca 0.01 -0.84 0.10 0.00 -2.04 0.00 0.00 64.34 61.57 1ry9 n VAL 132 Cb 0.23 0.71 0.08 0.00 -1.47 0.00 0.00 33.84 33.39 1ry9 n VAL 132 CO 0.00 0.00 0.00 0.18 -2.14 0.00 0.00 176.83 174.87