#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1q8r n ASN 2 N 0.00 3.26 -4.45 3.17 3.02 -1.26 -4.73 115.26 114.26 1q8r n ASN 2 Ca 0.00 1.20 -0.27 0.00 -0.03 0.00 0.00 54.58 55.48 1q8r n ASN 2 Cb 0.00 -1.54 -0.11 0.00 -0.61 0.00 0.00 39.78 37.52 1q8r n ASN 2 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 1q8r s THR 3 N -0.85 2.52 -0.01 3.41 -4.23 -1.26 -1.58 115.64 113.66 1q8r s THR 3 Ca 0.57 -1.96 0.02 0.00 -1.18 0.00 0.00 61.69 59.14 1q8r s THR 3 Cb -0.54 -2.22 -0.00 0.00 1.34 0.00 0.00 72.50 71.08 1q8r s THR 3 CO 0.60 -0.12 -0.05 -0.31 -0.54 0.00 0.00 174.62 174.19 1q8r s TYR 4 N -1.69 0.50 -0.02 3.99 1.51 0.46 -4.98 117.35 117.12 1q8r s TYR 4 Ca 0.22 -0.09 0.04 0.00 -1.01 0.00 0.00 57.07 56.22 1q8r s TYR 4 Cb -0.08 -0.33 -0.01 0.00 -0.11 0.00 0.00 41.96 41.44 1q8r s TYR 4 CO 0.11 -0.01 -0.13 -1.12 -1.11 0.00 0.00 175.55 173.29 1q8r s SER 5 N -0.10 1.57 -0.03 2.29 0.01 -1.26 -0.14 113.70 116.05 1q8r s SER 5 Ca 0.02 -0.25 -0.13 0.00 1.31 0.00 0.00 55.95 56.90 1q8r s SER 5 Cb -0.02 -0.26 0.02 0.00 0.21 0.00 0.00 66.02 65.96 1q8r s SER 5 CO -0.00 0.14 0.28 -0.51 0.41 0.00 0.00 173.24 173.56 1q8r s ILE 6 N -0.16 0.05 -0.19 1.44 1.10 -0.72 -5.01 121.20 117.71 1q8r s ILE 6 Ca 0.02 -0.43 -0.05 0.00 -0.51 0.00 0.00 60.65 59.68 1q8r s ILE 6 Cb -0.07 -0.56 -0.03 0.00 0.15 0.00 0.00 42.46 41.96 1q8r s ILE 6 CO 0.00 -0.24 0.00 -0.89 -2.11 0.00 0.00 174.94 171.70 1q8r s THR 7 N -1.10 4.05 0.19 4.00 2.01 -1.26 -0.68 115.64 122.84 1q8r s THR 7 Ca -0.12 -0.29 0.10 0.00 0.31 0.00 0.00 61.69 61.69 1q8r s THR 7 Cb -0.05 -2.82 -0.04 0.00 0.01 0.00 0.00 72.50 69.60 1q8r s THR 7 CO 0.03 0.44 -0.14 -0.76 -0.69 0.00 0.00 174.62 173.50 1q8r s LEU 8 N 0.80 2.79 0.83 4.42 1.43 0.72 -4.98 118.68 124.69 1q8r s LEU 8 Ca 0.01 -0.68 -0.11 0.00 -1.03 0.00 0.00 54.13 52.32 1q8r s LEU 8 Cb -0.14 -1.49 0.09 0.00 0.03 0.00 0.00 46.19 44.68 1q8r s LEU 8 CO 0.02 0.11 1.10 -2.84 0.23 0.00 0.00 176.35 174.97 1q8r s PRO 9 N -2.78 1.78 0.11 1.29 0.02 -1.26 -0.13 135.00 134.03 1q8r s PRO 9 Ca 0.24 1.20 -0.31 0.00 0.02 0.00 0.00 61.00 62.15 1q8r s PRO 9 Cb -0.08 -1.84 -0.09 0.00 0.02 0.00 0.00 34.50 32.50 1q8r s PRO 9 CO 0.13 -1.99 1.65 -0.46 -0.33 0.00 0.00 177.00 176.00 1q8r s TRP 10 N -2.84 2.61 0.63 6.54 -0.11 -1.26 -4.41 118.94 120.10 1q8r s TRP 10 Ca 0.63 0.38 -0.14 0.00 1.22 0.00 0.00 56.10 58.19 1q8r s TRP 10 Cb -0.19 -3.98 -0.02 0.00 -1.50 0.00 0.00 33.47 27.79 1q8r s TRP 10 CO 0.57 -3.84 1.07 -1.25 -4.62 0.00 0.00 176.95 168.88 1q8r s PRO 11 N 2.13 3.12 0.54 5.86 0.04 -1.26 -5.03 135.00 140.40 1q8r s PRO 11 Ca 0.73 1.19 -0.21 0.00 0.04 0.00 0.00 61.00 62.75 1q8r s PRO 11 Cb -0.42 -2.01 -0.05 0.00 0.04 0.00 0.00 34.50 32.06 1q8r s PRO 11 CO 0.32 -0.97 1.24 -2.30 0.04 0.00 0.00 177.00 175.33 1q8r n PRO 12 N -2.36 1.50 -1.40 0.56 -0.02 -1.26 -4.99 135.00 127.03 1q8r n PRO 12 Ca 0.09 0.55 -0.33 0.00 -2.02 0.00 0.00 63.50 61.79 1q8r n PRO 12 Cb 0.53 -2.44 0.09 0.00 -0.02 0.00 0.00 33.50 31.66 1q8r n PRO 12 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 1q8r s SER 13 N -0.96 4.24 0.42 2.55 1.04 -1.26 -4.61 113.70 115.13 1q8r s SER 13 Ca 0.72 2.23 0.13 0.00 0.48 0.00 0.00 55.95 59.51 1q8r s SER 13 Cb -0.43 -2.57 1.00 0.00 0.10 0.00 0.00 66.02 64.12 1q8r s SER 13 CO 0.50 -2.23 1.96 -1.13 0.98 0.00 0.00 173.24 173.32 1q8r h ASN 14 N -0.47 0.41 0.17 7.02 -0.00 -1.94 0.19 115.58 120.95 1q8r h ASN 14 Ca -0.47 0.01 -0.01 0.00 -0.00 0.00 0.00 56.30 55.83 1q8r h ASN 14 Cb 1.28 -0.07 -0.00 0.00 -0.00 0.00 0.00 38.32 39.53 1q8r h ASN 14 CO 0.50 0.24 -0.05 0.78 -0.00 0.00 0.00 177.43 178.89 1q8r h ASN 15 N 0.45 0.00 0.00 1.15 2.35 -2.03 -2.88 115.58 114.62 1q8r h ASN 15 Ca 0.31 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.06 1q8r h ASN 15 Cb 0.60 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.97 1q8r h ASN 15 CO -0.09 0.05 -0.15 -2.11 -1.65 0.00 0.00 177.43 173.48 1q8r n ARG 16 N -3.69 1.00 -1.85 0.81 1.85 -0.32 -5.11 116.66 109.35 1q8r n ARG 16 Ca -0.02 -1.63 -0.29 0.00 -1.00 0.00 0.00 57.85 54.90 1q8r n ARG 16 Cb 0.15 -0.97 0.08 0.00 -1.05 0.00 0.00 32.46 30.67 1q8r n ARG 16 CO 0.00 0.00 0.00 -0.47 -0.01 0.00 0.00 177.63 177.15 1q8r s TYR 17 N -1.29 3.00 -0.15 2.89 5.04 0.51 -4.16 117.35 123.19 1q8r s TYR 17 Ca 0.12 0.86 -0.05 0.00 -2.44 0.00 0.00 57.07 55.56 1q8r s TYR 17 Cb 0.11 -3.36 -0.04 0.00 0.35 0.00 0.00 41.96 39.03 1q8r s TYR 17 CO 0.01 -1.67 0.03 0.14 -1.34 0.00 0.00 175.55 172.72 1q8r s VAL 27 N -3.47 4.50 1.09 3.14 -7.23 -1.26 -4.09 120.40 113.07 1q8r s VAL 27 Ca 0.61 -0.15 -0.16 0.00 -1.81 0.00 0.00 61.98 60.48 1q8r s VAL 27 Cb -0.12 -2.98 0.23 0.00 0.56 0.00 0.00 36.38 34.07 1q8r s VAL 27 CO 0.50 0.50 1.12 -0.94 -0.31 0.00 0.00 175.10 175.98 1q8r s SER 28 N 0.06 1.93 0.26 4.85 1.04 -1.26 -4.82 113.70 115.76 1q8r s SER 28 Ca 0.04 0.84 -0.04 0.00 0.48 0.00 0.00 55.95 57.26 1q8r s SER 28 Cb -0.13 -1.26 0.31 0.00 0.10 0.00 0.00 66.02 65.04 1q8r s SER 28 CO 0.01 -3.52 1.86 0.00 0.98 0.00 0.00 173.24 172.57 1q8r h ALA 29 N -2.17 1.22 -0.67 5.32 0.00 -1.89 -1.92 119.26 119.15 1q8r h ALA 29 Ca -0.49 -0.15 -0.05 0.00 0.00 0.00 0.00 54.91 54.23 1q8r h ALA 29 Cb 1.31 -0.31 -0.03 0.00 0.00 0.00 0.00 17.79 18.76 1q8r h ALA 29 CO 0.46 0.61 0.24 1.49 0.00 0.00 0.00 179.25 182.04 1q8r h GLU 30 N 1.09 1.01 -0.49 0.00 4.81 -1.90 -0.17 114.58 118.92 1q8r h GLU 30 Ca 0.27 -0.19 -0.11 0.00 -0.13 0.00 0.00 59.36 59.20 1q8r h GLU 30 Cb 0.10 -0.16 -0.02 0.00 0.63 0.00 0.00 28.75 29.30 1q8r h GLU 30 CO -0.04 0.84 -0.12 0.78 -0.73 0.00 0.00 179.01 179.75 1q8r h GLY 31 N 1.06 1.03 1.30 1.92 0.00 -1.62 -1.69 103.07 105.08 1q8r h GLY 31 Ca 0.22 -0.85 -0.13 0.00 0.00 0.00 0.00 47.33 46.56 1q8r h GLY 31 CO -0.01 0.78 -0.32 -1.61 0.00 0.00 0.00 176.54 175.37 1q8r h GLN 32 N 0.81 0.78 -0.70 4.80 5.75 -1.19 -1.67 115.11 123.69 1q8r h GLN 32 Ca 0.13 -0.37 0.11 0.00 -0.15 0.00 0.00 58.65 58.37 1q8r h GLN 32 Cb 0.68 -0.01 -0.08 0.00 1.07 0.00 0.00 27.48 29.14 1q8r h GLN 32 CO 0.05 0.99 0.31 0.00 -2.65 0.00 0.00 178.83 177.53 1q8r h ALA 33 N 0.98 0.96 -0.08 3.38 0.00 -0.81 -1.02 119.26 122.68 1q8r h ALA 33 Ca 0.07 0.08 -0.01 0.00 0.00 0.00 0.00 54.91 55.05 1q8r h ALA 33 Cb 0.86 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.67 1q8r h ALA 33 CO 0.08 -0.13 0.01 -0.92 0.00 0.00 0.00 179.25 178.29 1q8r h TYR 34 N 0.51 0.14 -0.63 0.00 3.20 -1.07 -1.06 116.97 118.05 1q8r h TYR 34 Ca 0.36 -0.02 0.13 0.00 3.14 0.00 0.00 58.73 62.34 1q8r h TYR 34 Cb 0.45 -0.04 -0.11 0.00 1.54 0.00 0.00 36.73 38.57 1q8r h TYR 34 CO -0.14 0.35 -0.00 0.00 -1.64 0.00 0.00 178.16 176.73 1q8r h ARG 35 N -0.12 0.11 -0.06 1.82 3.08 -1.04 -0.63 114.38 117.54 1q8r h ARG 35 Ca 0.02 -0.01 -0.19 0.00 0.07 0.00 0.00 59.98 59.88 1q8r h ARG 35 Cb 0.29 -0.02 -0.00 0.00 0.08 0.00 0.00 29.97 30.31 1q8r h ARG 35 CO 0.00 0.07 -0.76 -0.44 -1.07 0.00 0.00 179.97 177.77 1q8r h ASP 36 N 0.11 0.45 0.05 7.04 3.32 -0.99 -1.32 116.42 125.08 1q8r h ASP 36 Ca 0.33 -0.31 -0.00 0.00 0.02 0.00 0.00 57.03 57.07 1q8r h ASP 36 Cb 0.54 -0.13 0.00 0.00 0.22 0.00 0.00 39.33 39.95 1q8r h ASP 36 CO -0.55 1.06 -0.02 -1.13 -1.72 0.00 0.00 179.24 176.88 1q8r h ASN 37 N 0.25 -0.06 -0.93 6.45 -1.24 -0.83 -1.96 115.58 117.27 1q8r h ASN 37 Ca -0.04 -0.10 0.03 0.00 0.71 0.00 0.00 56.30 56.90 1q8r h ASN 37 Cb 1.35 0.01 -0.05 0.00 0.73 0.00 0.00 38.32 40.36 1q8r h ASN 37 CO 0.13 0.06 0.61 0.58 -1.29 0.00 0.00 177.43 177.52 1q8r h VAL 38 N -0.17 1.18 -0.67 2.57 2.07 -1.04 -1.69 116.25 118.49 1q8r h VAL 38 Ca -0.01 -0.41 -0.01 0.00 0.82 0.00 0.00 66.70 67.09 1q8r h VAL 38 Cb 0.15 -0.12 -0.03 0.00 -1.52 0.00 0.00 31.29 29.77 1q8r h VAL 38 CO 0.01 0.22 0.37 0.00 0.02 0.00 0.00 177.57 178.19 1q8r h ALA 39 N 1.45 1.38 -0.18 1.67 0.00 -1.06 -0.54 119.26 121.98 1q8r h ALA 39 Ca 0.36 -0.10 -0.13 0.00 0.00 0.00 0.00 54.91 55.04 1q8r h ALA 39 Cb -0.03 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 17.49 1q8r h ALA 39 CO -0.10 0.51 -0.41 -0.09 0.00 0.00 0.00 179.25 179.16 1q8r h ARG 40 N 0.94 0.60 -0.39 0.00 2.43 -1.04 -1.39 114.38 115.53 1q8r h ARG 40 Ca 0.24 -0.40 0.02 0.00 -0.81 0.00 0.00 59.98 59.03 1q8r h ARG 40 Cb 0.02 0.05 -0.03 0.00 -0.42 0.00 0.00 29.97 29.60 1q8r h ARG 40 CO -0.04 1.02 0.21 0.82 -1.51 0.00 0.00 179.97 180.47 1q8r h ILE 41 N 0.27 1.01 -0.47 1.20 2.04 -0.95 -0.91 117.51 119.68 1q8r h ILE 41 Ca 0.00 -0.15 -0.07 0.00 1.00 0.00 0.00 64.86 65.64 1q8r h ILE 41 Cb 1.01 0.54 -0.02 0.00 -0.74 0.00 0.00 36.82 37.61 1q8r h ILE 41 CO 0.09 0.08 0.02 0.40 0.00 0.00 0.00 178.15 178.73 1q8r h ILE 42 N 0.43 1.26 -0.48 -0.67 1.08 -1.13 -1.61 117.51 116.39 1q8r h ILE 42 Ca 0.16 -1.03 -0.03 0.00 -0.39 0.00 0.00 64.86 63.57 1q8r h ILE 42 Cb 0.05 0.99 -0.02 0.00 -3.07 0.00 0.00 36.82 34.77 1q8r h ILE 42 CO -0.10 0.36 0.18 0.50 -0.69 0.00 0.00 178.15 178.40 1q8r h LYS 43 N 0.68 0.73 -0.12 2.37 3.64 -1.09 0.76 116.57 123.55 1q8r h LYS 43 Ca 0.14 -0.14 -0.07 0.00 -1.27 0.00 0.00 60.65 59.31 1q8r h LYS 43 Cb 0.48 -0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 32.18 1q8r h LYS 43 CO 0.02 0.67 -0.22 -0.91 -2.27 0.00 0.00 179.45 176.74 1q8r h ASN 44 N 0.64 0.20 -0.02 4.20 2.35 -1.08 -1.96 115.58 119.92 1q8r h ASN 44 Ca 0.16 -0.05 0.00 0.00 -0.55 0.00 0.00 56.30 55.86 1q8r h ASN 44 Cb 0.22 -0.05 0.00 0.00 0.05 0.00 0.00 38.32 38.54 1q8r h ASN 44 CO -0.01 0.43 0.00 0.00 -1.65 0.00 0.00 177.43 176.20 1q8r n ALA 45 N -2.48 2.63 -3.77 -0.83 0.00 -0.61 -4.90 120.51 110.54 1q8r n ALA 45 Ca -0.01 -0.21 -0.27 0.00 0.00 0.00 0.00 53.44 52.96 1q8r n ALA 45 Cb 0.33 -1.35 0.05 0.00 0.00 0.00 0.00 19.45 18.48 1q8r n ALA 45 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 1q8r n MET 46 N -0.69 -6.34 -0.11 0.00 2.81 -0.74 -4.91 117.12 107.14 1q8r n MET 46 Ca 0.18 0.69 0.04 0.00 -1.81 0.00 0.00 57.70 56.80 1q8r n MET 46 Cb 0.12 -5.61 0.10 0.00 -0.71 0.00 0.00 33.22 27.13 1q8r n MET 46 CO 0.00 0.00 0.00 1.28 1.51 0.00 0.00 175.97 178.76 1q8r n LEU 47 N -4.74 2.51 -3.28 4.03 4.77 0.21 -4.73 117.00 115.78 1q8r n LEU 47 Ca -0.01 -1.80 -0.33 0.00 -0.03 0.00 0.00 56.01 53.83 1q8r n LEU 47 Cb 0.56 -0.14 -0.02 0.00 -2.33 0.00 0.00 43.42 41.48 1q8r n LEU 47 CO 0.71 0.61 3.00 -0.90 -1.33 0.00 0.00 177.39 179.48 1q8r n ASP 48 N 0.32 7.18 -0.30 -1.43 5.75 -1.23 -4.17 116.55 122.67 1q8r n ASP 48 Ca 0.08 -2.49 0.08 0.00 -0.01 0.00 0.00 54.79 52.45 1q8r n ASP 48 Cb 0.35 -1.39 -0.02 0.00 -1.03 0.00 0.00 41.12 39.03 1q8r n ASP 48 CO 0.00 0.00 0.00 2.30 -0.11 0.00 0.00 177.20 179.39 1q8r n ILE 49 N 3.88 0.00 -3.11 2.12 -5.35 -1.12 -4.82 119.36 110.96 1q8r n ILE 49 Ca 0.65 -0.29 -0.14 0.00 -0.27 0.00 0.00 62.75 62.71 1q8r n ILE 49 Cb 0.20 1.15 0.06 0.00 -1.74 0.00 0.00 39.64 39.31 1q8r n ILE 49 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1q8r n GLY 50 N 1.21 -0.08 3.66 3.28 0.00 0.16 -4.92 105.19 108.50 1q8r n GLY 50 Ca 0.06 -0.06 -0.46 0.00 0.00 0.00 0.00 46.02 45.56 1q8r n GLY 50 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1q8r n LEU 51 N -3.35 2.96 -0.00 0.99 4.77 0.14 -4.58 117.00 117.92 1q8r n LEU 51 Ca -0.09 1.12 0.02 0.00 -0.03 0.00 0.00 56.01 57.03 1q8r n LEU 51 Cb 0.58 -1.41 -0.03 0.00 -2.33 0.00 0.00 43.42 40.23 1q8r n LEU 51 CO 0.43 -0.47 -0.32 0.00 -1.33 0.00 0.00 177.39 175.70 1q8r n ALA 52 N 2.50 2.32 -1.94 -1.18 0.00 -1.26 -1.87 120.51 119.08 1q8r n ALA 52 Ca 0.14 -0.11 -0.25 0.00 0.00 0.00 0.00 53.44 53.23 1q8r n ALA 52 Cb 0.29 -0.15 0.06 0.00 0.00 0.00 0.00 19.45 19.66 1q8r n ALA 52 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1q8r s MET 53 N -1.90 2.24 0.57 0.00 0.23 -1.26 -4.98 119.30 114.19 1q8r s MET 53 Ca -0.00 -0.37 -0.21 0.00 -1.03 0.00 0.00 55.69 54.08 1q8r s MET 53 Cb 0.03 -2.23 -0.04 0.00 -1.53 0.00 0.00 34.83 31.06 1q8r s MET 53 CO 0.17 -1.16 1.33 -2.30 -2.03 0.00 0.00 175.02 171.04 1q8r n PRO 54 N -2.82 1.54 -3.97 3.16 -0.02 -1.26 -4.87 135.00 126.77 1q8r n PRO 54 Ca 0.08 0.57 -0.08 0.00 -2.02 0.00 0.00 63.50 62.05 1q8r n PRO 54 Cb 0.60 -2.55 -0.09 0.00 -0.02 0.00 0.00 33.50 31.44 1q8r n PRO 54 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 1q8r s VAL 55 N -1.31 0.16 0.04 -1.45 -7.23 -0.39 -1.11 120.40 109.11 1q8r s VAL 55 Ca 0.74 -1.34 0.06 0.00 -1.81 0.00 0.00 61.98 59.63 1q8r s VAL 55 Cb -0.41 -1.18 -0.03 0.00 0.56 0.00 0.00 36.38 35.31 1q8r s VAL 55 CO 0.47 -0.74 -0.12 -0.75 -0.31 0.00 0.00 175.10 173.65 1q8r s LYS 56 N -3.30 2.24 -0.04 4.82 2.20 0.17 -1.14 119.74 124.69 1q8r s LYS 56 Ca 0.01 -0.91 -0.03 0.00 -0.36 0.00 0.00 55.97 54.68 1q8r s LYS 56 Cb 0.03 -2.32 0.01 0.00 -1.51 0.00 0.00 37.83 34.05 1q8r s LYS 56 CO -0.08 0.55 0.09 -1.50 -0.36 0.00 0.00 175.35 174.06 1q8r s ILE 57 N -1.02 -0.01 -0.11 5.43 2.07 -0.46 -0.85 121.20 126.26 1q8r s ILE 57 Ca 0.17 0.03 0.01 0.00 -1.41 0.00 0.00 60.65 59.45 1q8r s ILE 57 Cb -0.11 -0.14 -0.02 0.00 0.13 0.00 0.00 42.46 42.32 1q8r s ILE 57 CO 0.08 0.01 -0.14 -0.60 -1.91 0.00 0.00 174.94 172.38 1q8r s ARG 58 N 0.22 3.15 -0.24 3.50 3.52 -0.14 -1.34 118.95 127.61 1q8r s ARG 58 Ca -0.01 -0.70 0.02 0.00 -0.13 0.00 0.00 55.73 54.91 1q8r s ARG 58 Cb -0.02 -2.55 0.05 0.00 -1.56 0.00 0.00 34.95 30.87 1q8r s ARG 58 CO -0.01 0.31 -0.12 0.42 -0.81 0.00 0.00 175.30 175.10 1q8r s ILE 59 N 0.08 2.07 -0.21 4.11 1.01 0.69 -1.28 121.20 127.67 1q8r s ILE 59 Ca -0.06 -1.46 -0.16 0.00 0.00 0.00 0.00 60.65 58.97 1q8r s ILE 59 Cb -0.15 -2.14 -0.04 0.00 0.01 0.00 0.00 42.46 40.14 1q8r s ILE 59 CO 0.05 0.06 0.39 -1.61 0.00 0.00 0.00 174.94 173.83 1q8r s GLU 60 N 1.17 4.14 -0.58 2.79 2.02 -0.26 -1.22 118.70 126.77 1q8r s GLU 60 Ca -0.06 0.17 -0.09 0.00 0.02 0.00 0.00 54.97 55.00 1q8r s GLU 60 Cb -0.19 -3.56 0.15 0.00 0.10 0.00 0.00 34.13 30.63 1q8r s GLU 60 CO -0.06 -0.08 0.46 0.00 0.02 0.00 0.00 175.26 175.59 1q8r s HIS 62 N 0.88 2.55 0.38 0.00 3.76 -0.51 -0.71 115.29 121.65 1q8r s HIS 62 Ca 0.10 -0.20 -0.27 0.00 -0.15 0.00 0.00 55.06 54.55 1q8r s HIS 62 Cb -0.22 -4.39 -0.09 0.00 1.11 0.00 0.00 32.58 28.98 1q8r s HIS 62 CO -0.03 -1.75 1.27 -1.64 -0.85 0.00 0.00 174.74 171.75 1q8r s MET 63 N 4.72 4.10 0.38 1.40 -1.94 -1.20 -1.57 119.30 125.18 1q8r s MET 63 Ca 0.30 2.11 0.27 0.00 -1.71 0.00 0.00 55.69 56.66 1q8r s MET 63 Cb -0.12 -2.83 0.93 0.00 2.01 0.00 0.00 34.83 34.82 1q8r s MET 63 CO 0.15 -0.37 1.79 -1.00 -0.01 0.00 0.00 175.02 175.58 1q8r h PRO 64 N 2.87 0.00 0.00 2.03 0.13 -1.86 -0.47 132.00 134.70 1q8r h PRO 64 Ca -0.49 0.00 0.20 0.00 -0.87 0.00 0.00 66.00 64.84 1q8r h PRO 64 Cb 1.24 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.33 1q8r h PRO 64 CO 0.63 0.00 0.61 -0.40 -0.23 0.00 0.00 178.00 178.61 1q8r n ASP 65 N -2.69 -1.28 -1.22 1.44 5.68 -1.26 -4.42 116.55 112.79 1q8r n ASP 65 Ca 0.03 -1.54 0.10 0.00 -0.50 0.00 0.00 54.79 52.87 1q8r n ASP 65 Cb 0.36 2.06 0.28 0.00 -1.14 0.00 0.00 41.12 42.68 1q8r n ASP 65 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 1q8r n ARG 66 N -0.68 2.66 -1.74 0.11 1.74 -1.26 -4.94 116.66 112.55 1q8r n ARG 66 Ca 0.00 -2.31 -0.40 0.00 -0.77 0.00 0.00 57.85 54.38 1q8r n ARG 66 Cb 0.49 -1.56 0.02 0.00 -1.02 0.00 0.00 32.46 30.39 1q8r n ARG 66 CO 0.00 0.00 0.00 -2.13 -1.52 0.00 0.00 177.63 173.98 1q8r n ARG 67 N 1.25 2.07 -2.02 5.56 0.63 -1.26 -4.91 116.66 117.99 1q8r n ARG 67 Ca 0.21 0.74 -0.42 0.00 -0.92 0.00 0.00 57.85 57.46 1q8r n ARG 67 Cb 0.59 -2.53 -0.03 0.00 0.45 0.00 0.00 32.46 30.94 1q8r n ARG 67 CO 0.00 0.00 0.00 -0.98 -2.51 0.00 0.00 177.63 174.14 1q8r s ARG 68 N -2.40 4.23 0.04 -0.14 1.70 -1.26 -4.99 118.95 116.13 1q8r s ARG 68 Ca 0.62 2.23 0.04 0.00 -0.47 0.00 0.00 55.73 58.14 1q8r s ARG 68 Cb -0.47 -3.55 -0.02 0.00 -0.57 0.00 0.00 34.95 30.34 1q8r s ARG 68 CO 0.57 -0.67 -0.11 1.03 -1.08 0.00 0.00 175.30 175.03 1q8r s ARG 69 N 2.43 0.74 -0.27 3.89 0.52 -1.26 -5.11 118.95 119.88 1q8r s ARG 69 Ca 0.71 -0.75 -0.21 0.00 -0.52 0.00 0.00 55.73 54.96 1q8r s ARG 69 Cb -0.38 -0.67 -0.01 0.00 0.52 0.00 0.00 34.95 34.41 1q8r s ARG 69 CO 0.31 0.16 0.66 -0.51 0.02 0.00 0.00 175.30 175.93 1q8r s ASP 70 N -1.31 6.58 0.43 0.23 1.01 -1.26 -4.95 116.67 117.40 1q8r s ASP 70 Ca -0.03 0.64 0.11 0.00 0.71 0.00 0.00 52.55 53.98 1q8r s ASP 70 Cb -0.08 -2.35 0.93 0.00 1.01 0.00 0.00 42.92 42.43 1q8r s ASP 70 CO 0.01 -0.44 2.01 -0.07 0.21 0.00 0.00 175.17 176.89 1q8r h LEU 71 N 9.07 0.22 -0.83 1.23 3.38 -2.01 -2.98 115.31 123.39 1q8r h LEU 71 Ca -0.26 -0.02 0.04 0.00 0.09 0.00 0.00 57.88 57.73 1q8r h LEU 71 Cb 1.12 -0.06 -0.05 0.00 0.09 0.00 0.00 40.66 41.76 1q8r h LEU 71 CO 0.80 0.27 0.53 -0.78 0.09 0.00 0.00 178.44 179.35 1q8r h ASP 72 N 0.24 0.85 -0.63 -0.43 3.58 -2.00 -1.87 116.42 116.16 1q8r h ASP 72 Ca 0.06 0.00 -0.01 0.00 0.42 0.00 0.00 57.03 57.51 1q8r h ASP 72 Cb 0.17 -0.18 -0.03 0.00 1.72 0.00 0.00 39.33 41.01 1q8r h ASP 72 CO 0.00 0.57 0.38 0.78 -2.88 0.00 0.00 179.24 178.09 1q8r h ASN 73 N 1.00 0.78 -0.40 2.28 2.35 -1.95 -0.43 115.58 119.21 1q8r h ASN 73 Ca 0.34 -0.05 -0.06 0.00 -0.55 0.00 0.00 56.30 55.99 1q8r h ASN 73 Cb 0.07 -0.20 -0.01 0.00 0.05 0.00 0.00 38.32 38.23 1q8r h ASN 73 CO -0.14 0.61 0.01 -0.07 -1.65 0.00 0.00 177.43 176.19 1q8r h LEU 74 N 0.89 0.68 -0.33 1.61 3.38 -1.45 -1.19 115.31 118.91 1q8r h LEU 74 Ca 0.23 -0.30 -0.01 0.00 0.09 0.00 0.00 57.88 57.89 1q8r h LEU 74 Cb -0.02 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.54 1q8r h LEU 74 CO -0.04 0.82 0.16 -0.61 0.09 0.00 0.00 178.44 178.85 1q8r h GLN 75 N 0.53 0.47 -0.67 1.13 -0.00 -0.95 -1.43 115.11 114.20 1q8r h GLN 75 Ca 0.11 -0.07 0.03 0.00 -0.00 0.00 0.00 58.65 58.73 1q8r h GLN 75 Cb 0.46 -0.09 -0.04 0.00 0.00 0.00 0.00 27.48 27.81 1q8r h GLN 75 CO 0.02 0.44 0.41 0.87 0.00 0.00 0.00 178.83 180.56 1q8r h LYS 76 N 0.40 0.77 -0.50 1.69 1.79 -0.89 0.18 116.57 120.00 1q8r h LYS 76 Ca 0.11 -0.05 -0.07 0.00 -2.18 0.00 0.00 60.65 58.46 1q8r h LYS 76 Cb 0.12 -0.17 -0.02 0.00 -1.58 0.00 0.00 32.23 30.58 1q8r h LYS 76 CO -0.01 0.51 0.03 0.00 -1.08 0.00 0.00 179.45 178.89 1q8r h ALA 77 N 1.30 0.67 -0.47 3.86 0.00 -1.05 -1.60 119.26 121.97 1q8r h ALA 77 Ca 0.27 -0.27 -0.06 0.00 0.00 0.00 0.00 54.91 54.85 1q8r h ALA 77 Cb 0.05 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 1q8r h ALA 77 CO -0.12 0.45 0.05 0.00 0.00 0.00 0.00 179.25 179.63 1q8r h ALA 78 N 0.95 0.63 -0.40 0.00 0.00 -0.92 -1.67 119.26 117.85 1q8r h ALA 78 Ca 0.15 -0.25 -0.03 0.00 0.00 0.00 0.00 54.91 54.78 1q8r h ALA 78 Cb 0.47 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 1q8r h ALA 78 CO 0.02 0.38 0.15 0.74 0.00 0.00 0.00 179.25 180.54 1q8r h PHE 79 N 0.66 0.62 -0.53 0.00 -1.00 -0.84 -1.99 116.94 113.85 1q8r h PHE 79 Ca 0.14 -0.05 0.05 0.00 2.81 0.00 0.00 57.97 60.92 1q8r h PHE 79 Cb 0.43 -0.18 -0.05 0.00 3.61 0.00 0.00 35.95 39.76 1q8r h PHE 79 CO 0.03 0.55 0.27 0.22 -1.61 0.00 0.00 178.31 177.77 1q8r h ASP 80 N 0.50 0.38 -0.11 2.17 3.58 -1.24 -1.85 116.42 119.85 1q8r h ASP 80 Ca 0.13 0.03 -0.13 0.00 0.42 0.00 0.00 57.03 57.48 1q8r h ASP 80 Cb 0.20 -0.04 -0.01 0.00 1.72 0.00 0.00 39.33 41.21 1q8r h ASP 80 CO -0.01 0.26 -0.38 0.00 -2.88 0.00 0.00 179.24 176.23 1q8r h ALA 81 N 1.29 0.83 -0.81 -0.78 0.00 -1.16 -1.68 119.26 116.95 1q8r h ALA 81 Ca 0.24 -0.43 -0.04 0.00 0.00 0.00 0.00 54.91 54.67 1q8r h ALA 81 Cb 0.15 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 17.79 1q8r h ALA 81 CO -0.17 0.65 0.34 -0.07 0.00 0.00 0.00 179.25 179.99 1q8r h LEU 82 N 0.52 1.10 0.23 0.00 3.38 -1.10 0.33 115.31 119.77 1q8r h LEU 82 Ca 0.05 -0.17 -0.01 0.00 0.09 0.00 0.00 57.88 57.84 1q8r h LEU 82 Cb 0.89 -0.29 0.00 0.00 0.09 0.00 0.00 40.66 41.36 1q8r h LEU 82 CO 0.08 0.97 -0.11 0.74 0.09 0.00 0.00 178.44 180.20 1q8r h THR 83 N 1.17 0.84 -0.09 0.22 2.02 -1.14 -2.02 112.91 113.91 1q8r h THR 83 Ca 0.27 -0.42 -0.02 0.00 0.77 0.00 0.00 66.41 67.00 1q8r h THR 83 Cb 0.20 1.08 -0.01 0.00 -1.74 0.00 0.00 68.15 67.68 1q8r h THR 83 CO -0.02 0.09 -0.05 0.11 0.37 0.00 0.00 175.52 176.02 1q8r h LYS 84 N -0.52 0.12 0.00 6.66 1.79 -1.26 -1.22 116.57 122.15 1q8r h LYS 84 Ca -0.03 -0.02 0.00 0.00 -2.18 0.00 0.00 60.65 58.42 1q8r h LYS 84 Cb 0.39 -0.02 0.00 0.00 -1.58 0.00 0.00 32.23 31.02 1q8r h LYS 84 CO 0.05 0.18 0.00 0.00 -1.08 0.00 0.00 179.45 178.61 1q8r n ALA 85 N -2.51 2.22 -1.11 3.86 0.00 0.10 -4.91 120.51 118.16 1q8r n ALA 85 Ca -0.02 -0.11 -0.04 0.00 0.00 0.00 0.00 53.44 53.27 1q8r n ALA 85 Cb 0.17 -1.38 -0.02 0.00 0.00 0.00 0.00 19.45 18.22 1q8r n ALA 85 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1q8r n GLY 86 N 0.71 0.64 0.08 0.00 0.00 -0.46 -4.66 105.19 101.50 1q8r n GLY 86 Ca 0.12 -0.35 -0.11 0.00 0.00 0.00 0.00 46.02 45.68 1q8r n GLY 86 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1q8r h PHE 87 N 0.00 0.15 -2.83 1.61 3.57 -1.54 0.51 116.94 118.42 1q8r h PHE 87 Ca -0.08 -0.00 -0.46 0.00 3.53 0.00 0.00 57.97 60.96 1q8r h PHE 87 Cb 0.43 -0.05 -0.14 0.00 2.79 0.00 0.00 35.95 38.99 1q8r h PHE 87 CO 0.22 0.16 -0.65 1.67 -2.23 0.00 0.00 178.31 177.48 1q8r s TRP 88 N -5.94 1.88 0.04 0.41 -2.14 -1.25 -0.69 118.94 111.25 1q8r s TRP 88 Ca -0.13 -0.82 0.06 0.00 2.66 0.00 0.00 56.10 57.87 1q8r s TRP 88 Cb 0.07 -1.13 -0.23 0.00 -3.10 0.00 0.00 33.47 29.08 1q8r s TRP 88 CO 0.68 0.14 0.98 -0.07 -2.66 0.00 0.00 176.95 176.02 1q8r h LEU 89 N 2.27 0.09 -7.00 -4.66 3.38 -1.62 -3.42 115.31 104.35 1q8r h LEU 89 Ca -0.40 -0.13 -0.00 0.00 0.09 0.00 0.00 57.88 57.44 1q8r h LEU 89 Cb 1.23 -0.03 -0.21 0.00 0.09 0.00 0.00 40.66 41.74 1q8r h LEU 89 CO 0.68 1.11 0.06 -0.62 0.09 0.00 0.00 178.44 179.76 1q8r s ASP 90 N -6.57 -0.87 0.00 -0.43 -1.08 -1.26 -5.02 116.67 101.43 1q8r s ASP 90 Ca -0.03 1.49 0.17 0.00 -0.52 0.00 0.00 52.55 53.66 1q8r s ASP 90 Cb 0.09 1.42 0.94 0.00 -1.46 0.00 0.00 42.92 43.90 1q8r s ASP 90 CO 0.83 -0.24 1.48 -0.90 0.52 0.00 0.00 175.17 176.85 1q8r n ASP 91 N 3.68 0.00 0.19 -0.34 5.68 -1.26 -2.04 116.55 122.46 1q8r n ASP 91 Ca -0.18 -0.21 0.13 0.00 -0.50 0.00 0.00 54.79 54.04 1q8r n ASP 91 Cb 0.57 -0.16 0.66 0.00 -1.14 0.00 0.00 41.12 41.05 1q8r n ASP 91 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1q8r h ALA 92 N 2.93 1.00 0.00 2.12 0.00 -2.01 -2.27 119.26 121.02 1q8r h ALA 92 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1q8r h ALA 92 Cb 0.09 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.88 1q8r h ALA 92 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 179.25 180.29 1q8r n GLN 93 N -2.43 0.18 -2.47 0.00 6.02 -0.87 -4.74 117.38 113.07 1q8r n GLN 93 Ca -0.01 0.30 -0.43 0.00 -0.01 0.00 0.00 57.00 56.85 1q8r n GLN 93 Cb 0.11 -1.77 -0.02 0.00 1.02 0.00 0.00 30.24 29.57 1q8r n GLN 93 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 1q8r s VAL 94 N -3.18 4.23 -1.17 5.09 1.01 -0.86 -1.26 120.40 124.26 1q8r s VAL 94 Ca 0.08 1.40 0.10 0.00 0.00 0.00 0.00 61.98 63.55 1q8r s VAL 94 Cb 0.11 -4.21 0.07 0.00 0.00 0.00 0.00 36.38 32.36 1q8r s VAL 94 CO 0.46 -0.46 0.79 1.33 0.00 0.00 0.00 175.10 177.21 1q8r n VAL 95 N 6.10 0.00 -3.48 2.92 0.24 -0.29 -4.93 118.33 118.89 1q8r n VAL 95 Ca 0.14 -0.49 0.01 0.00 -2.04 0.00 0.00 64.34 61.95 1q8r n VAL 95 Cb 0.47 1.19 -0.04 0.00 -1.47 0.00 0.00 33.84 33.99 1q8r n VAL 95 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 1q8r s ASP 96 N -0.82 -0.77 0.04 -1.34 -1.08 -1.25 -5.03 116.67 106.42 1q8r s ASP 96 Ca 0.11 1.05 0.02 0.00 -0.52 0.00 0.00 52.55 53.21 1q8r s ASP 96 Cb 0.08 1.88 -0.02 0.00 -1.46 0.00 0.00 42.92 43.39 1q8r s ASP 96 CO 0.13 -0.15 -0.07 -0.72 0.52 0.00 0.00 175.17 174.88 1q8r s TYR 97 N 2.61 0.60 -0.01 -5.34 -0.85 -1.26 -1.36 117.35 111.75 1q8r s TYR 97 Ca -0.03 -0.54 0.00 0.00 -0.52 0.00 0.00 57.07 55.98 1q8r s TYR 97 Cb -0.08 -0.37 0.01 0.00 0.38 0.00 0.00 41.96 41.90 1q8r s TYR 97 CO -0.18 -0.11 -0.01 0.50 -1.52 0.00 0.00 175.55 174.23 1q8r s ARG 98 N -1.72 0.11 -0.10 -3.49 3.52 -0.45 -4.98 118.95 111.84 1q8r s ARG 98 Ca -0.10 -0.01 0.03 0.00 -0.13 0.00 0.00 55.73 55.53 1q8r s ARG 98 Cb -0.09 -0.16 0.01 0.00 -1.56 0.00 0.00 34.95 33.15 1q8r s ARG 98 CO -0.00 -0.01 -0.20 0.08 -0.81 0.00 0.00 175.30 174.35 1q8r s VAL 99 N 0.21 1.80 -0.08 7.11 1.01 -1.26 -0.22 120.40 128.97 1q8r s VAL 99 Ca -0.02 -0.85 -0.00 0.00 0.00 0.00 0.00 61.98 61.11 1q8r s VAL 99 Cb -0.03 -1.59 0.02 0.00 0.00 0.00 0.00 36.38 34.78 1q8r s VAL 99 CO -0.01 0.50 -0.05 -0.69 0.00 0.00 0.00 175.10 174.86 1q8r s VAL 100 N 0.61 0.72 0.08 2.92 1.01 -0.35 -4.99 120.40 120.39 1q8r s VAL 100 Ca -0.13 -0.13 -0.31 0.00 0.00 0.00 0.00 61.98 61.40 1q8r s VAL 100 Cb -0.17 -0.78 -0.07 0.00 0.00 0.00 0.00 36.38 35.37 1q8r s VAL 100 CO 0.04 0.30 1.30 -0.75 0.00 0.00 0.00 175.10 176.00 1q8r s LYS 101 N 1.54 4.36 0.33 2.72 2.20 -1.26 -0.69 119.74 128.94 1q8r s LYS 101 Ca -0.00 1.92 0.07 0.00 -0.36 0.00 0.00 55.97 57.61 1q8r s LYS 101 Cb -0.13 -3.33 -0.06 0.00 -1.51 0.00 0.00 37.83 32.80 1q8r s LYS 101 CO -0.04 -0.37 -0.05 -1.64 -0.36 0.00 0.00 175.35 172.88 1q8r s MET 102 N 1.23 1.72 0.71 4.03 -1.94 0.11 -4.90 119.30 120.27 1q8r s MET 102 Ca 0.62 -1.91 -0.16 0.00 -1.71 0.00 0.00 55.69 52.53 1q8r s MET 102 Cb -0.33 -1.40 0.02 0.00 2.01 0.00 0.00 34.83 35.14 1q8r s MET 102 CO 0.29 0.03 1.25 -2.14 -0.01 0.00 0.00 175.02 174.44 1q8r s PRO 103 N -3.70 2.23 0.24 2.03 0.02 -1.26 -3.25 135.00 131.31 1q8r s PRO 103 Ca 0.32 1.90 -0.31 0.00 0.02 0.00 0.00 61.00 62.94 1q8r s PRO 103 Cb 0.05 -1.83 -0.11 0.00 0.02 0.00 0.00 34.50 32.63 1q8r s PRO 103 CO 0.15 -1.80 1.60 0.08 -0.33 0.00 0.00 177.00 176.70 1q8r s VAL 104 N -1.74 2.26 0.00 3.83 1.01 -1.26 -3.43 120.40 121.08 1q8r s VAL 104 Ca 0.78 0.21 0.03 0.00 0.00 0.00 0.00 61.98 63.00 1q8r s VAL 104 Cb -0.33 -3.13 -0.01 0.00 0.00 0.00 0.00 36.38 32.91 1q8r s VAL 104 CO 0.44 0.02 -0.10 -0.89 0.00 0.00 0.00 175.10 174.57 1q8r s THR 105 N 0.56 0.78 0.08 3.92 2.01 -0.19 -4.91 115.64 117.89 1q8r s THR 105 Ca 0.67 -0.55 -0.34 0.00 0.31 0.00 0.00 61.69 61.79 1q8r s THR 105 Cb -0.47 -0.68 -0.13 0.00 0.01 0.00 0.00 72.50 71.24 1q8r s THR 105 CO 0.39 0.13 1.70 1.17 -0.69 0.00 0.00 174.62 177.32 1q8r n LYS 106 N 2.58 2.21 0.00 4.92 4.81 -1.26 -1.19 118.16 130.24 1q8r n LYS 106 Ca -0.15 0.80 0.00 0.00 -0.87 0.00 0.00 58.31 58.09 1q8r n LYS 106 Cb 0.56 -2.61 0.00 0.00 0.02 0.00 0.00 35.03 33.01 1q8r n LYS 106 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1q8r n GLY 107 N 3.80 3.11 0.00 3.14 0.00 -1.26 -4.88 105.19 109.09 1q8r n GLY 107 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.21 1q8r n GLY 107 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1q8r n GLY 108 N -1.79 -1.98 3.40 -0.02 0.00 -0.33 -4.49 105.19 99.98 1q8r n GLY 108 Ca 0.00 -1.47 -0.14 0.00 0.00 0.00 0.00 46.02 44.41 1q8r n GLY 108 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1q8r s ARG 109 N -3.29 1.00 -0.10 1.61 3.52 -0.61 -4.10 118.95 116.97 1q8r s ARG 109 Ca 0.00 -0.15 -0.01 0.00 -0.13 0.00 0.00 55.73 55.44 1q8r s ARG 109 Cb 0.00 0.46 -0.03 0.00 -1.56 0.00 0.00 34.95 33.82 1q8r s ARG 109 CO 0.00 -0.34 -0.06 -0.51 -0.81 0.00 0.00 175.30 173.57 1q8r s LEU 110 N -1.77 3.16 -0.21 -0.88 1.43 0.82 -1.42 118.68 119.81 1q8r s LEU 110 Ca -0.07 -0.07 -0.03 0.00 -1.03 0.00 0.00 54.13 52.93 1q8r s LEU 110 Cb -0.01 -1.71 0.00 0.00 0.03 0.00 0.00 46.19 44.50 1q8r s LEU 110 CO 0.01 0.29 -0.08 -1.61 0.23 0.00 0.00 176.35 175.19 1q8r s GLU 111 N -0.37 3.25 -0.05 1.70 0.41 -0.51 -0.20 118.70 122.93 1q8r s GLU 111 Ca 0.05 -0.70 0.01 0.00 -0.41 0.00 0.00 54.97 53.93 1q8r s GLU 111 Cb -0.12 -2.90 -0.03 0.00 -1.78 0.00 0.00 34.13 29.29 1q8r s GLU 111 CO 0.02 -0.21 -0.06 -0.51 -0.49 0.00 0.00 175.26 174.01 1q8r s LEU 112 N 1.42 3.21 -0.07 1.80 1.02 0.14 -1.11 118.68 125.11 1q8r s LEU 112 Ca 0.05 -0.04 0.02 0.00 0.02 0.00 0.00 54.13 54.18 1q8r s LEU 112 Cb -0.14 -1.75 0.01 0.00 0.02 0.00 0.00 46.19 44.34 1q8r s LEU 112 CO -0.06 0.34 -0.11 -0.89 0.02 0.00 0.00 176.35 175.65 1q8r s THR 113 N -0.87 1.08 -0.08 5.49 2.01 -0.40 -1.75 115.64 121.11 1q8r s THR 113 Ca 0.14 -0.44 0.03 0.00 0.31 0.00 0.00 61.69 61.73 1q8r s THR 113 Cb -0.11 -1.00 0.01 0.00 0.01 0.00 0.00 72.50 71.40 1q8r s THR 113 CO 0.03 0.35 -0.18 -0.63 -0.69 0.00 0.00 174.62 173.50 1q8r s ILE 114 N 0.73 1.58 -0.07 1.82 1.09 0.81 -0.96 121.20 126.20 1q8r s ILE 114 Ca -0.13 -0.75 0.05 0.00 -1.10 0.00 0.00 60.65 58.72 1q8r s ILE 114 Cb -0.16 -1.39 -0.00 0.00 -1.06 0.00 0.00 42.46 39.85 1q8r s ILE 114 CO 0.03 0.45 -0.22 -0.89 -0.10 0.00 0.00 174.94 174.21 1q8r s THR 115 N 0.44 1.85 0.21 2.92 2.01 -0.03 -0.40 115.64 122.64 1q8r s THR 115 Ca -0.15 -0.93 -0.30 0.00 0.31 0.00 0.00 61.69 60.62 1q8r s THR 115 Cb -0.16 -1.59 -0.08 0.00 0.01 0.00 0.00 72.50 70.67 1q8r s THR 115 CO 0.06 0.52 1.17 -1.61 -0.69 0.00 0.00 174.62 174.06 1q8r s GLU 116 N 0.14 4.53 -0.08 4.92 2.02 -0.61 -0.66 118.70 128.96 1q8r s GLU 116 Ca -0.10 1.85 -0.00 0.00 0.02 0.00 0.00 54.97 56.74 1q8r s GLU 116 Cb -0.15 -3.23 -0.03 0.00 0.10 0.00 0.00 34.13 30.82 1q8r s GLU 116 CO 0.05 -0.01 -0.05 -1.64 0.02 0.00 0.00 175.26 173.64 1q8r s MET 117 N -0.56 2.89 0.00 1.61 -1.94 -0.27 -2.09 119.30 118.94 1q8r s MET 117 Ca 0.50 -0.51 0.00 0.00 -1.71 0.00 0.00 55.69 53.97 1q8r s MET 117 Cb -0.32 -2.67 0.00 0.00 2.01 0.00 0.00 34.83 33.85 1q8r s MET 117 CO 0.38 0.64 0.23 0.41 -0.01 0.00 0.00 175.02 176.66