#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1h8u s TYR 4 N 0.00 -0.04 0.08 -1.55 -0.85 -1.26 -1.71 117.35 112.01 1h8u s TYR 4 Ca 0.00 -0.30 -0.11 0.00 -0.52 0.00 0.00 57.07 56.14 1h8u s TYR 4 Cb 0.00 0.20 0.01 0.00 0.38 0.00 0.00 41.96 42.54 1h8u s TYR 4 CO 0.00 -0.73 0.23 -0.48 -1.52 0.00 0.00 175.55 173.06 1h8u s LEU 5 N -2.85 1.20 -0.21 -3.49 0.05 0.29 -4.97 118.68 108.70 1h8u s LEU 5 Ca 0.07 -0.48 -0.09 0.00 0.05 0.00 0.00 54.13 53.67 1h8u s LEU 5 Cb 0.02 1.17 -0.05 0.00 -2.05 0.00 0.00 46.19 45.28 1h8u s LEU 5 CO -0.08 -0.69 0.12 -0.22 -0.55 0.00 0.00 176.35 174.93 1h8u s LEU 6 N -2.58 4.07 -0.31 1.48 2.96 -1.26 -1.43 118.68 121.61 1h8u s LEU 6 Ca 0.01 0.15 -0.08 0.00 -0.22 0.00 0.00 54.13 54.00 1h8u s LEU 6 Cb 0.02 -2.06 0.01 0.00 0.50 0.00 0.00 46.19 44.67 1h8u s LEU 6 CO -0.09 0.15 0.11 -0.69 -1.32 0.00 0.00 176.35 174.51 1h8u s VAL 7 N 0.56 4.15 -0.27 1.68 1.01 0.61 -4.97 120.40 123.18 1h8u s VAL 7 Ca 0.07 -0.70 0.28 0.00 0.00 0.00 0.00 61.98 61.63 1h8u s VAL 7 Cb -0.12 -3.18 0.33 0.00 0.00 0.00 0.00 36.38 33.41 1h8u s VAL 7 CO 0.00 0.02 1.82 0.03 0.00 0.00 0.00 175.10 176.96 1h8u h ARG 8 N 8.28 0.00 -6.80 2.72 3.08 -1.96 -1.26 114.38 118.43 1h8u h ARG 8 Ca -0.30 0.00 -0.53 0.00 0.07 0.00 0.00 59.98 59.22 1h8u h ARG 8 Cb 1.12 0.00 0.07 0.00 0.08 0.00 0.00 29.97 31.24 1h8u h ARG 8 CO 0.61 0.00 0.77 0.45 -1.07 0.00 0.00 179.97 180.73 1h8u s SER 9 N -5.21 6.58 -0.23 7.04 0.15 -1.26 -4.60 113.70 116.18 1h8u s SER 9 Ca 0.04 2.77 -0.29 0.00 0.70 0.00 0.00 55.95 59.17 1h8u s SER 9 Cb 0.09 -2.63 0.01 0.00 -1.71 0.00 0.00 66.02 61.77 1h8u s SER 9 CO 0.53 -0.74 1.07 -0.76 1.20 0.00 0.00 173.24 174.54 1h8u s LEU 10 N -0.83 4.10 0.04 3.45 1.43 -1.26 -4.02 118.68 121.59 1h8u s LEU 10 Ca 0.58 1.40 -0.05 0.00 -1.03 0.00 0.00 54.13 55.03 1h8u s LEU 10 Cb -0.43 -3.54 -0.01 0.00 0.03 0.00 0.00 46.19 42.24 1h8u s LEU 10 CO 0.48 -0.69 0.09 -1.10 0.23 0.00 0.00 176.35 175.36 1h8u s GLN 11 N 3.25 0.59 0.87 1.70 -0.21 -0.54 -4.74 119.66 120.58 1h8u s GLN 11 Ca 0.45 -0.78 -0.11 0.00 0.02 0.00 0.00 55.36 54.93 1h8u s GLN 11 Cb -0.16 0.23 0.11 0.00 1.00 0.00 0.00 33.01 34.20 1h8u s GLN 11 CO 0.07 -0.15 1.09 0.95 -2.12 0.00 0.00 175.29 175.14 1h8u s THR 12 N -2.71 2.79 0.17 -0.19 -4.23 -1.26 -1.44 115.64 108.78 1h8u s THR 12 Ca -0.04 0.25 -0.14 0.00 -1.18 0.00 0.00 61.69 60.59 1h8u s THR 12 Cb -0.01 -2.74 0.06 0.00 1.34 0.00 0.00 72.50 71.16 1h8u s THR 12 CO -0.05 -0.33 1.77 0.15 -0.54 0.00 0.00 174.62 175.62 1h8u h PHE 13 N -1.46 0.39 -0.71 3.99 3.57 -1.57 0.35 116.94 121.49 1h8u h PHE 13 Ca -0.48 0.02 -0.06 0.00 3.53 0.00 0.00 57.97 60.98 1h8u h PHE 13 Cb 1.27 -0.10 -0.03 0.00 2.79 0.00 0.00 35.95 39.88 1h8u h PHE 13 CO 0.45 0.18 0.22 1.03 -2.23 0.00 0.00 178.31 177.97 1h8u h SER 14 N 0.42 1.02 -0.57 0.41 0.87 -1.92 0.87 113.55 114.66 1h8u h SER 14 Ca 0.21 -0.18 -0.08 0.00 -1.23 0.00 0.00 61.79 60.50 1h8u h SER 14 Cb 0.15 -0.27 -0.02 0.00 -0.44 0.00 0.00 62.40 61.82 1h8u h SER 14 CO -0.17 0.95 0.04 1.56 -0.53 0.00 0.00 176.83 178.67 1h8u h GLN 15 N 1.05 0.98 -0.63 2.24 4.20 -1.81 -2.65 115.11 118.49 1h8u h GLN 15 Ca 0.23 -0.29 -0.08 0.00 0.06 0.00 0.00 58.65 58.57 1h8u h GLN 15 Cb 0.29 -0.10 -0.03 0.00 0.30 0.00 0.00 27.48 27.95 1h8u h GLN 15 CO -0.01 0.96 0.08 0.00 -0.67 0.00 0.00 178.83 179.19 1h8u h ALA 16 N 0.98 0.96 -0.80 3.87 0.00 -0.50 -0.90 119.26 122.87 1h8u h ALA 16 Ca 0.17 -0.27 0.03 0.00 0.00 0.00 0.00 54.91 54.83 1h8u h ALA 16 Cb 0.50 -0.24 -0.05 0.00 0.00 0.00 0.00 17.79 18.00 1h8u h ALA 16 CO 0.02 0.65 0.51 2.35 0.00 0.00 0.00 179.25 182.78 1h8u h TRP 17 N 0.97 0.96 -0.02 0.00 7.01 -0.71 -1.42 115.95 122.73 1h8u h TRP 17 Ca 0.19 0.03 -0.00 0.00 2.11 0.00 0.00 58.89 61.21 1h8u h TRP 17 Cb 0.45 -0.32 -0.00 0.00 -2.10 0.00 0.00 29.16 27.19 1h8u h TRP 17 CO 0.03 0.55 0.00 0.35 -2.79 0.00 0.00 178.44 176.59 1h8u h PHE 18 N 1.00 0.04 -0.47 2.65 3.57 -1.08 -2.90 116.94 119.76 1h8u h PHE 18 Ca 0.32 -0.01 0.06 0.00 3.53 0.00 0.00 57.97 61.87 1h8u h PHE 18 Cb 0.00 -0.01 -0.05 0.00 2.79 0.00 0.00 35.95 38.68 1h8u h PHE 18 CO -0.03 0.32 0.18 1.15 -2.23 0.00 0.00 178.31 177.70 1h8u h THR 19 N -0.24 0.87 -0.68 4.41 2.02 -0.84 0.13 112.91 118.58 1h8u h THR 19 Ca 0.01 -0.13 0.03 0.00 0.77 0.00 0.00 66.41 67.09 1h8u h THR 19 Cb 0.30 0.47 -0.04 0.00 -1.74 0.00 0.00 68.15 67.14 1h8u h THR 19 CO 0.00 0.07 0.42 0.00 0.37 0.00 0.00 175.52 176.38 1h8u h ARG 21 N 0.82 0.49 0.09 0.00 3.08 -1.16 -0.43 114.38 117.27 1h8u h ARG 21 Ca 0.28 -0.21 -0.32 0.00 0.07 0.00 0.00 59.98 59.79 1h8u h ARG 21 Cb 0.03 -0.02 -0.02 0.00 0.08 0.00 0.00 29.97 30.04 1h8u h ARG 21 CO -0.11 0.75 -1.75 0.00 -1.07 0.00 0.00 179.97 177.79 1h8u h ARG 22 N 0.21 0.19 0.00 0.04 2.47 -0.60 -2.07 114.38 114.62 1h8u h ARG 22 Ca 0.05 -0.33 -0.17 0.00 -1.26 0.00 0.00 59.98 58.28 1h8u h ARG 22 Cb 0.60 0.12 -0.03 0.00 -1.65 0.00 0.00 29.97 29.02 1h8u h ARG 22 CO 0.03 0.99 -0.96 0.00 0.56 0.00 0.00 179.97 180.59 1h8u n TYR 24 N -3.17 0.00 -3.07 0.00 4.02 -1.12 -5.00 117.16 108.81 1h8u n TYR 24 Ca -0.03 -0.06 -0.23 0.00 -0.01 0.00 0.00 57.90 57.57 1h8u n TYR 24 Cb 0.85 -0.01 0.03 0.00 -0.02 0.00 0.00 39.34 40.19 1h8u n TYR 24 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 176.86 176.39 1h8u n ARG 25 N -0.06 -4.75 0.00 -0.72 1.74 -0.78 -4.87 116.66 107.22 1h8u n ARG 25 Ca 0.00 0.85 0.00 0.00 -0.77 0.00 0.00 57.85 57.93 1h8u n ARG 25 Cb 0.08 -5.70 0.00 0.00 -1.02 0.00 0.00 32.46 25.82 1h8u n ARG 25 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1h8u n GLY 26 N -1.49 5.01 3.47 -0.13 0.00 -0.18 -4.90 105.19 106.97 1h8u n GLY 26 Ca -0.10 -1.01 -0.15 0.00 0.00 0.00 0.00 46.02 44.76 1h8u n GLY 26 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1h8u s ASN 27 N 1.00 -0.61 0.32 1.61 0.02 -0.80 -3.69 114.94 112.79 1h8u s ASN 27 Ca 0.00 0.36 -0.29 0.00 -1.02 0.00 0.00 52.86 51.91 1h8u s ASN 27 Cb 0.00 0.57 -0.13 0.00 0.02 0.00 0.00 41.25 41.71 1h8u s ASN 27 CO 0.00 -0.79 1.30 0.18 0.02 0.00 0.00 177.10 177.81 1h8u n LEU 28 N 0.27 3.40 -4.76 0.60 4.77 -1.26 -0.25 117.00 119.77 1h8u n LEU 28 Ca -0.18 1.20 -0.38 0.00 -0.03 0.00 0.00 56.01 56.61 1h8u n LEU 28 Cb 0.61 -1.47 0.03 0.00 -2.33 0.00 0.00 43.42 40.26 1h8u n LEU 28 CO 0.18 -0.52 0.98 0.54 -1.33 0.00 0.00 177.39 177.24 1h8u s VAL 29 N -0.91 2.24 0.14 4.08 0.11 -0.67 -4.21 120.40 121.18 1h8u s VAL 29 Ca 0.58 0.19 0.06 0.00 -2.93 0.00 0.00 61.98 59.88 1h8u s VAL 29 Cb -0.59 -3.10 -0.04 0.00 -1.53 0.00 0.00 36.38 31.12 1h8u s VAL 29 CO 0.60 0.00 0.00 -0.94 -3.33 0.00 0.00 175.10 171.44 1h8u s SER 30 N -0.92 4.90 -0.10 3.54 1.04 -1.26 -0.33 113.70 120.57 1h8u s SER 30 Ca 0.68 -0.29 -0.00 0.00 0.48 0.00 0.00 55.95 56.82 1h8u s SER 30 Cb -0.39 -1.11 0.02 0.00 0.10 0.00 0.00 66.02 64.65 1h8u s SER 30 CO 0.48 0.13 -0.06 -0.63 0.98 0.00 0.00 173.24 174.13 1h8u s ILE 31 N -1.53 0.88 -0.89 -1.02 1.01 -1.26 -5.03 121.20 113.35 1h8u s ILE 31 Ca 0.27 -0.22 0.08 0.00 0.00 0.00 0.00 60.65 60.78 1h8u s ILE 31 Cb -0.10 -0.92 0.09 0.00 0.01 0.00 0.00 42.46 41.55 1h8u s ILE 31 CO 0.18 0.34 0.84 1.41 0.00 0.00 0.00 174.94 177.71 1h8u n HIS 32 N 4.82 0.07 -3.51 3.97 8.25 -1.26 -4.52 115.22 123.03 1h8u n HIS 32 Ca -0.13 -0.11 -0.09 0.00 -0.26 0.00 0.00 57.72 57.13 1h8u n HIS 32 Cb 0.50 -0.01 -0.02 0.00 1.12 0.00 0.00 29.99 31.59 1h8u n HIS 32 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 1h8u s ASN 33 N -0.72 -0.38 0.36 0.41 2.20 -1.26 -4.66 114.94 110.88 1h8u s ASN 33 Ca 0.11 -0.04 0.05 0.00 -0.94 0.00 0.00 52.86 52.04 1h8u s ASN 33 Cb 0.07 0.43 0.68 0.00 -2.00 0.00 0.00 41.25 40.43 1h8u s ASN 33 CO 0.10 -0.71 1.93 0.15 -2.94 0.00 0.00 177.10 175.63 1h8u h PHE 34 N 2.00 0.54 -0.41 1.54 3.57 -1.97 -2.65 116.94 119.55 1h8u h PHE 34 Ca -0.24 -0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.20 1h8u h PHE 34 Cb 1.25 -0.16 -0.02 0.00 2.79 0.00 0.00 35.95 39.81 1h8u h PHE 34 CO 0.26 0.47 0.16 -0.97 -2.23 0.00 0.00 178.31 176.00 1h8u h ASN 35 N 0.52 0.53 0.61 0.41 -0.73 -1.99 0.23 115.58 115.16 1h8u h ASN 35 Ca 0.12 -0.06 -0.28 0.00 1.87 0.00 0.00 56.30 57.96 1h8u h ASN 35 Cb 0.20 -0.14 0.01 0.00 0.27 0.00 0.00 38.32 38.66 1h8u h ASN 35 CO -0.00 0.49 -1.25 0.40 -0.37 0.00 0.00 177.43 176.70 1h8u h ILE 36 N 0.58 1.49 -0.68 2.57 1.08 -1.92 -2.49 117.51 118.14 1h8u h ILE 36 Ca 0.14 -3.04 -0.01 0.00 -0.39 0.00 0.00 64.86 61.56 1h8u h ILE 36 Cb 0.13 2.94 -0.03 0.00 -3.07 0.00 0.00 36.82 36.79 1h8u h ILE 36 CO -0.01 0.89 0.37 -1.13 -0.69 0.00 0.00 178.15 177.57 1h8u h ASN 37 N 0.08 0.85 -0.49 1.72 -1.24 -1.11 -1.16 115.58 114.23 1h8u h ASN 37 Ca -0.14 -0.10 -0.05 0.00 0.71 0.00 0.00 56.30 56.72 1h8u h ASN 37 Cb 1.97 -0.22 -0.02 0.00 0.73 0.00 0.00 38.32 40.79 1h8u h ASN 37 CO 0.21 0.70 0.09 0.22 -1.29 0.00 0.00 177.43 177.36 1h8u h TYR 38 N 0.93 0.84 -0.68 0.67 3.20 -0.99 0.44 116.97 121.38 1h8u h TYR 38 Ca 0.24 -0.11 -0.03 0.00 3.14 0.00 0.00 58.73 61.96 1h8u h TYR 38 Cb 0.05 -0.23 -0.03 0.00 1.54 0.00 0.00 36.73 38.05 1h8u h TYR 38 CO -0.00 0.77 0.28 0.00 -1.64 0.00 0.00 178.16 177.57 1h8u h ARG 39 N 0.67 0.98 -0.23 1.82 3.08 -1.09 -0.33 114.38 119.29 1h8u h ARG 39 Ca 0.15 -0.15 -0.19 0.00 0.07 0.00 0.00 59.98 59.85 1h8u h ARG 39 Cb 0.37 -0.17 0.00 0.00 0.08 0.00 0.00 29.97 30.25 1h8u h ARG 39 CO 0.01 0.79 -0.61 0.82 -1.07 0.00 0.00 179.97 179.90 1h8u h ILE 40 N 0.97 1.29 -0.57 2.04 2.04 -0.99 -2.35 117.51 119.95 1h8u h ILE 40 Ca 0.23 -1.82 0.08 0.00 1.00 0.00 0.00 64.86 64.35 1h8u h ILE 40 Cb 0.16 1.76 -0.06 0.00 -0.74 0.00 0.00 36.82 37.94 1h8u h ILE 40 CO -0.02 0.58 0.22 -0.61 0.00 0.00 0.00 178.15 178.32 1h8u h GLN 41 N 0.58 0.40 -0.74 2.37 4.15 -0.26 -0.47 115.11 121.14 1h8u h GLN 41 Ca -0.01 -0.02 -0.04 0.00 0.77 0.00 0.00 58.65 59.35 1h8u h GLN 41 Cb 1.21 -0.09 -0.03 0.00 0.21 0.00 0.00 27.48 28.78 1h8u h GLN 41 CO 0.13 0.26 0.30 0.00 -1.93 0.00 0.00 178.83 177.59 1h8u h SER 43 N 1.07 0.00 -0.15 0.00 0.02 -0.55 -3.04 113.55 110.91 1h8u h SER 43 Ca 0.25 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.20 1h8u h SER 43 Cb 0.20 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.74 1h8u h SER 43 CO -0.02 0.09 0.00 1.33 -1.14 0.00 0.00 176.83 177.09 1h8u n VAL 44 N -3.51 0.51 -0.23 2.27 0.24 -0.80 -4.73 118.33 112.07 1h8u n VAL 44 Ca -0.02 -0.76 0.14 0.00 -2.04 0.00 0.00 64.34 61.67 1h8u n VAL 44 Cb 0.22 0.83 0.44 0.00 -1.47 0.00 0.00 33.84 33.87 1h8u n VAL 44 CO 0.00 0.00 0.00 0.77 -2.14 0.00 0.00 176.83 175.46 1h8u h SER 45 N 1.67 0.52 0.13 -1.34 4.64 -1.16 -2.55 113.55 115.46 1h8u h SER 45 Ca 0.00 0.04 0.00 0.00 -0.47 0.00 0.00 61.79 61.36 1h8u h SER 45 Cb 0.53 -0.07 0.00 0.00 -0.31 0.00 0.00 62.40 62.55 1h8u h SER 45 CO 0.00 0.26 -0.08 0.00 -0.87 0.00 0.00 176.83 176.14 1h8u n ALA 46 N -2.48 2.73 -1.48 5.18 0.00 -1.26 -4.90 120.51 118.31 1h8u n ALA 46 Ca 0.17 -0.35 -0.34 0.00 0.00 0.00 0.00 53.44 52.91 1h8u n ALA 46 Cb 0.53 -1.26 0.07 0.00 0.00 0.00 0.00 19.45 18.79 1h8u n ALA 46 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1h8u s LEU 47 N -2.21 3.41 0.31 0.00 1.43 -0.96 -4.94 118.68 115.72 1h8u s LEU 47 Ca 0.35 2.27 0.23 0.00 -1.03 0.00 0.00 54.13 55.94 1h8u s LEU 47 Cb 0.21 -4.58 0.15 0.00 0.03 0.00 0.00 46.19 42.00 1h8u s LEU 47 CO 0.41 -1.95 1.31 0.78 0.23 0.00 0.00 176.35 177.12 1h8u h ASN 48 N 0.05 0.00 -4.10 2.29 2.35 -1.92 -3.46 115.58 110.80 1h8u h ASN 48 Ca -0.48 0.00 -0.47 0.00 -0.55 0.00 0.00 56.30 54.80 1h8u h ASN 48 Cb 1.28 0.00 0.02 0.00 0.05 0.00 0.00 38.32 39.67 1h8u h ASN 48 CO 0.52 0.02 0.37 -1.10 -1.65 0.00 0.00 177.43 175.59 1h8u s GLN 49 N -3.28 3.87 0.30 0.81 1.11 -1.26 -4.97 119.66 116.24 1h8u s GLN 49 Ca 0.03 1.24 0.26 0.00 0.01 0.00 0.00 55.36 56.90 1h8u s GLN 49 Cb 0.07 -2.11 0.77 0.00 -1.01 0.00 0.00 33.01 30.73 1h8u s GLN 49 CO 0.73 -0.36 1.74 0.78 0.01 0.00 0.00 175.29 178.20 1h8u h GLY 50 N 1.46 0.00 -3.02 3.09 0.00 -1.97 -3.43 103.07 99.21 1h8u h GLY 50 Ca -0.49 0.00 0.13 0.00 0.00 0.00 0.00 47.33 46.97 1h8u h GLY 50 CO 0.60 0.00 0.48 -0.86 0.00 0.00 0.00 176.54 176.76 1h8u s GLN 51 N -3.20 0.96 0.12 4.80 -2.07 -1.26 -1.07 119.66 117.94 1h8u s GLN 51 Ca 0.08 -0.42 0.05 0.00 -1.82 0.00 0.00 55.36 53.25 1h8u s GLN 51 Cb 0.10 0.40 -0.04 0.00 -1.09 0.00 0.00 33.01 32.38 1h8u s GLN 51 CO 0.58 -0.43 -0.13 0.14 -1.32 0.00 0.00 175.29 174.13 1h8u s VAL 52 N -3.20 1.25 0.23 3.63 -7.23 -0.24 -4.23 120.40 110.61 1h8u s VAL 52 Ca 0.07 -1.75 -0.30 0.00 -1.81 0.00 0.00 61.98 58.19 1h8u s VAL 52 Cb -0.01 -1.54 -0.09 0.00 0.56 0.00 0.00 36.38 35.30 1h8u s VAL 52 CO -0.06 -0.48 1.11 0.26 -0.31 0.00 0.00 175.10 175.62 1h8u s TRP 53 N -2.34 3.58 0.44 2.82 0.23 -0.60 -0.45 118.94 122.62 1h8u s TRP 53 Ca 0.09 1.63 0.05 0.00 -2.03 0.00 0.00 56.10 55.85 1h8u s TRP 53 Cb -0.04 -3.29 -0.06 0.00 0.03 0.00 0.00 33.47 30.12 1h8u s TRP 53 CO 0.02 -0.63 0.01 0.96 0.96 0.00 0.00 176.95 178.27 1h8u s ILE 54 N -0.68 1.68 -0.09 2.03 -4.36 -1.02 -2.32 121.20 116.44 1h8u s ILE 54 Ca 0.47 -2.00 0.01 0.00 -0.26 0.00 0.00 60.65 58.87 1h8u s ILE 54 Cb -0.31 -2.70 0.12 0.00 1.25 0.00 0.00 42.46 40.82 1h8u s ILE 54 CO 0.38 0.00 1.34 0.61 0.24 0.00 0.00 174.94 177.51 1h8u n GLY 55 N -1.07 2.61 3.88 6.27 0.00 0.55 -4.61 105.19 112.81 1h8u n GLY 55 Ca -0.10 -0.25 -0.35 0.00 0.00 0.00 0.00 46.02 45.31 1h8u n GLY 55 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1h8u s GLY 56 N 0.71 2.24 -0.04 -0.02 0.00 -1.26 -0.70 107.32 108.25 1h8u s GLY 56 Ca 0.11 -0.57 -0.06 0.00 0.00 0.00 0.00 44.72 44.20 1h8u s GLY 56 CO 0.02 -0.36 0.15 -1.60 0.00 0.00 0.00 173.10 171.31 1h8u s ARG 57 N -1.53 0.27 -0.32 2.90 3.52 0.07 -1.34 118.95 122.53 1h8u s ARG 57 Ca 0.24 0.03 -0.13 0.00 -0.13 0.00 0.00 55.73 55.75 1h8u s ARG 57 Cb -0.13 0.12 -0.03 0.00 -1.56 0.00 0.00 34.95 33.35 1h8u s ARG 57 CO 0.13 -0.05 0.24 0.42 -0.81 0.00 0.00 175.30 175.23 1h8u s ILE 58 N -0.35 5.28 0.39 4.11 1.01 0.97 -0.70 121.20 131.92 1h8u s ILE 58 Ca -0.04 -0.06 0.08 0.00 0.00 0.00 0.00 60.65 60.62 1h8u s ILE 58 Cb -0.03 -3.67 -0.06 0.00 0.01 0.00 0.00 42.46 38.72 1h8u s ILE 58 CO 0.01 0.07 0.13 0.42 0.00 0.00 0.00 174.94 175.56 1h8u s THR 59 N 1.76 2.37 0.00 2.92 -4.23 -0.32 -4.81 115.64 113.33 1h8u s THR 59 Ca 0.07 -1.78 0.00 0.00 -1.18 0.00 0.00 61.69 58.80 1h8u s THR 59 Cb -0.17 -2.96 0.00 0.00 1.34 0.00 0.00 72.50 70.71 1h8u s THR 59 CO 0.11 -0.05 0.00 0.61 -0.54 0.00 0.00 174.62 174.75 1h8u n GLY 60 N -1.15 1.45 3.48 3.99 0.00 -1.26 -2.30 105.19 109.40 1h8u n GLY 60 Ca -0.02 -2.01 -0.23 0.00 0.00 0.00 0.00 46.02 43.76 1h8u n GLY 60 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1h8u s SER 61 N 0.00 2.86 0.67 1.61 1.04 -1.26 -4.98 113.70 113.64 1h8u s SER 61 Ca 0.00 -1.29 0.00 0.00 0.48 0.00 0.00 55.95 55.14 1h8u s SER 61 Cb 0.00 -0.19 0.00 0.00 0.10 0.00 0.00 66.02 65.93 1h8u s SER 61 CO 0.00 -0.46 0.00 0.61 0.98 0.00 0.00 173.24 174.37 1h8u n GLY 62 N -0.70 0.44 0.08 7.32 0.00 -1.26 -4.22 105.19 106.85 1h8u n GLY 62 Ca -0.04 -0.83 -0.13 0.00 0.00 0.00 0.00 46.02 45.01 1h8u n GLY 62 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1h8u h ARG 63 N 0.00 0.11 -5.57 1.61 3.08 -2.02 -3.44 114.38 108.16 1h8u h ARG 63 Ca 0.00 -0.07 -0.61 0.00 0.07 0.00 0.00 59.98 59.38 1h8u h ARG 63 Cb 0.00 0.01 -0.11 0.00 0.08 0.00 0.00 29.97 29.94 1h8u h ARG 63 CO 0.00 0.61 0.22 0.00 -1.07 0.00 0.00 179.97 179.72 1h8u n ARG 65 N 5.82 0.81 -3.89 0.00 1.74 -1.26 -4.42 116.66 115.47 1h8u n ARG 65 Ca 0.00 -1.26 -0.09 0.00 -0.77 0.00 0.00 57.85 55.73 1h8u n ARG 65 Cb 0.49 0.68 -0.08 0.00 -1.02 0.00 0.00 32.46 32.52 1h8u n ARG 65 CO 0.00 0.00 0.00 -0.98 -1.52 0.00 0.00 177.63 175.13 1h8u s ARG 66 N -2.57 0.70 -0.24 5.56 1.70 -0.97 -5.00 118.95 118.13 1h8u s ARG 66 Ca 0.07 -0.80 -0.06 0.00 -0.47 0.00 0.00 55.73 54.48 1h8u s ARG 66 Cb 0.00 0.28 -0.02 0.00 -0.57 0.00 0.00 34.95 34.65 1h8u s ARG 66 CO 0.05 -0.20 0.03 -0.06 -1.08 0.00 0.00 175.30 174.04 1h8u s PHE 67 N -3.04 3.04 0.15 5.89 0.40 -1.26 -1.18 117.98 121.97 1h8u s PHE 67 Ca -0.01 -0.68 0.07 0.00 -0.60 0.00 0.00 56.93 55.71 1h8u s PHE 67 Cb 0.01 -2.19 -0.04 0.00 0.51 0.00 0.00 43.02 41.32 1h8u s PHE 67 CO -0.07 -0.46 -0.16 -0.65 0.70 0.00 0.00 175.22 174.59 1h8u s GLN 68 N 1.55 1.15 -0.16 0.44 -0.21 0.13 -4.73 119.66 117.82 1h8u s GLN 68 Ca 0.06 -1.34 -0.09 0.00 0.02 0.00 0.00 55.36 54.01 1h8u s GLN 68 Cb -0.15 -1.09 -0.05 0.00 1.00 0.00 0.00 33.01 32.73 1h8u s GLN 68 CO 0.01 0.21 0.14 -1.58 -2.12 0.00 0.00 175.29 171.95 1h8u s TRP 69 N -2.19 3.50 -0.73 0.91 0.23 -1.26 -0.75 118.94 118.65 1h8u s TRP 69 Ca 0.13 0.44 0.16 0.00 -2.03 0.00 0.00 56.10 54.80 1h8u s TRP 69 Cb -0.05 -2.07 0.72 0.00 0.03 0.00 0.00 33.47 32.10 1h8u s TRP 69 CO 0.05 0.49 1.50 1.33 0.96 0.00 0.00 176.95 181.28 1h8u n VAL 70 N 2.83 1.09 0.34 4.03 0.24 0.12 -1.10 118.33 125.88 1h8u n VAL 70 Ca -0.18 0.34 0.08 0.00 -2.04 0.00 0.00 64.34 62.54 1h8u n VAL 70 Cb 0.53 -1.21 0.23 0.00 -1.47 0.00 0.00 33.84 31.92 1h8u n VAL 70 CO 0.00 0.00 0.00 -0.90 -2.14 0.00 0.00 176.83 173.79 1h8u n ASP 71 N -1.84 2.79 0.00 -1.34 5.75 -1.26 -4.94 116.55 115.71 1h8u n ASP 71 Ca 0.02 -2.01 0.00 0.00 -0.01 0.00 0.00 54.79 52.79 1h8u n ASP 71 Cb 0.15 -0.35 0.00 0.00 -1.03 0.00 0.00 41.12 39.89 1h8u n ASP 71 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1h8u n GLY 72 N 1.32 2.07 3.70 6.12 0.00 -0.26 -5.01 105.19 113.13 1h8u n GLY 72 Ca 0.17 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.89 1h8u n GLY 72 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1h8u s SER 73 N -3.42 3.42 0.40 1.61 1.04 -1.26 -4.93 113.70 110.57 1h8u s SER 73 Ca 0.00 1.86 -0.25 0.00 0.48 0.00 0.00 55.95 58.04 1h8u s SER 73 Cb 0.00 -2.45 -0.08 0.00 0.10 0.00 0.00 66.02 63.59 1h8u s SER 73 CO 0.00 -2.73 1.14 0.00 0.98 0.00 0.00 173.24 172.63 1h8u s ARG 74 N -4.78 4.06 -0.98 4.02 1.70 -1.26 -4.34 118.95 117.36 1h8u s ARG 74 Ca 0.64 1.76 -0.19 0.00 -0.47 0.00 0.00 55.73 57.48 1h8u s ARG 74 Cb -0.20 -2.63 0.12 0.00 -0.57 0.00 0.00 34.95 31.67 1h8u s ARG 74 CO 0.58 -0.30 1.22 -0.46 -1.08 0.00 0.00 175.30 175.26 1h8u s TRP 75 N -1.47 3.06 -0.02 5.89 -0.11 -1.26 -4.75 118.94 120.28 1h8u s TRP 75 Ca 0.58 -1.39 0.00 0.00 1.22 0.00 0.00 56.10 56.51 1h8u s TRP 75 Cb -0.29 -4.36 0.01 0.00 -1.50 0.00 0.00 33.47 27.33 1h8u s TRP 75 CO 0.36 -1.56 1.01 0.27 -4.62 0.00 0.00 176.95 172.41 1h8u n ASN 76 N 6.85 2.02 -3.57 5.86 0.23 -1.26 -5.03 115.26 120.36 1h8u n ASN 76 Ca 0.27 -2.01 -0.17 0.00 -0.53 0.00 0.00 54.58 52.14 1h8u n ASN 76 Cb 0.49 -0.01 -0.07 0.00 -2.08 0.00 0.00 39.78 38.11 1h8u n ASN 76 CO 0.00 0.00 0.00 0.12 -0.93 0.00 0.00 177.26 176.45 1h8u s PHE 77 N -1.02 -0.58 0.18 -2.53 5.36 -1.26 -4.98 117.98 113.14 1h8u s PHE 77 Ca 0.01 1.03 -0.18 0.00 -0.96 0.00 0.00 56.93 56.84 1h8u s PHE 77 Cb 0.01 0.34 0.03 0.00 -0.34 0.00 0.00 43.02 43.06 1h8u s PHE 77 CO 0.00 -0.55 0.51 0.00 -1.46 0.00 0.00 175.22 173.72 1h8u s ALA 78 N -1.08 -0.98 -0.42 11.12 0.00 -1.26 -4.89 121.76 124.25 1h8u s ALA 78 Ca -0.10 -0.14 0.08 0.00 0.00 0.00 0.00 51.96 51.80 1h8u s ALA 78 Cb -0.01 0.83 0.30 0.00 0.00 0.00 0.00 23.12 24.24 1h8u s ALA 78 CO 0.08 -0.77 0.80 0.98 0.00 0.00 0.00 175.76 176.85 1h8u n TYR 79 N -0.32 -1.34 -2.19 0.00 9.36 -1.26 -5.06 117.16 116.35 1h8u n TYR 79 Ca -0.12 -2.97 -0.41 0.00 3.32 0.00 0.00 57.90 57.72 1h8u n TYR 79 Cb 0.63 0.46 -0.03 0.00 -0.63 0.00 0.00 39.34 39.77 1h8u n TYR 79 CO 0.00 0.00 0.00 -1.58 0.22 0.00 0.00 176.86 175.50 1h8u s TRP 80 N -0.91 3.21 0.23 2.98 0.52 -1.26 -0.34 118.94 123.38 1h8u s TRP 80 Ca 0.33 1.27 -0.30 0.00 0.02 0.00 0.00 56.10 57.42 1h8u s TRP 80 Cb 0.27 -3.62 -0.10 0.00 -1.15 0.00 0.00 33.47 28.87 1h8u s TRP 80 CO -0.11 -1.87 1.47 0.00 0.02 0.00 0.00 176.95 176.46 1h8u s ALA 81 N -0.25 3.66 0.32 0.98 0.00 0.06 -4.74 121.76 121.79 1h8u s ALA 81 Ca 0.54 1.34 0.04 0.00 0.00 0.00 0.00 51.96 53.89 1h8u s ALA 81 Cb -0.37 -3.57 0.53 0.00 0.00 0.00 0.00 23.12 19.71 1h8u s ALA 81 CO 0.42 -0.76 1.80 0.00 0.00 0.00 0.00 175.76 177.23 1h8u h ALA 82 N 5.36 1.26 -3.71 0.00 0.00 -1.94 -3.40 119.26 116.84 1h8u h ALA 82 Ca -0.45 -0.27 -0.63 0.00 0.00 0.00 0.00 54.91 53.55 1h8u h ALA 82 Cb 1.22 -0.13 -0.38 0.00 0.00 0.00 0.00 17.79 18.50 1h8u h ALA 82 CO 0.80 0.49 -0.79 -1.01 0.00 0.00 0.00 179.25 178.74 1h8u s HIS 83 N -4.69 2.67 0.10 0.00 3.76 -1.26 -5.08 115.29 110.78 1h8u s HIS 83 Ca -0.07 -1.93 -0.25 0.00 -0.15 0.00 0.00 55.06 52.66 1h8u s HIS 83 Cb 0.15 -1.69 0.08 0.00 1.11 0.00 0.00 32.58 32.23 1h8u s HIS 83 CO 0.77 -0.81 0.70 1.14 -0.85 0.00 0.00 174.74 175.70 1h8u s GLN 84 N 1.30 1.11 0.17 1.40 -2.07 -1.26 -5.10 119.66 115.21 1h8u s GLN 84 Ca -0.07 -0.40 -0.31 0.00 -1.82 0.00 0.00 55.36 52.76 1h8u s GLN 84 Cb -0.19 0.51 -0.10 0.00 -1.09 0.00 0.00 33.01 32.15 1h8u s GLN 84 CO -0.06 -0.49 1.51 -2.14 -1.32 0.00 0.00 175.29 172.79 1h8u s PRO 85 N -3.49 4.25 0.00 9.60 0.02 -1.26 -4.86 135.00 139.26 1h8u s PRO 85 Ca 0.02 2.30 0.00 0.00 0.02 0.00 0.00 61.00 63.34 1h8u s PRO 85 Cb -0.01 -3.16 0.00 0.00 0.02 0.00 0.00 34.50 31.35 1h8u s PRO 85 CO -0.11 -0.54 0.00 1.87 -0.33 0.00 0.00 177.00 177.89 1h8u n TRP 86 N 3.62 0.00 -1.65 6.54 -0.00 -1.26 -4.59 117.44 120.11 1h8u n TRP 86 Ca 0.12 0.00 -0.49 0.00 -0.00 0.00 0.00 57.50 57.13 1h8u n TRP 86 Cb 0.40 0.00 -0.05 0.00 -0.00 0.00 0.00 31.31 31.66 1h8u n TRP 86 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 177.69 178.14 1h8u n SER 87 N -2.03 2.61 -1.79 5.87 2.88 -1.26 0.66 113.62 120.56 1h8u n SER 87 Ca 0.00 1.08 -0.20 0.00 -1.33 0.00 0.00 58.87 58.42 1h8u n SER 87 Cb 0.00 -1.32 -0.07 0.00 -0.75 0.00 0.00 64.21 62.07 1h8u n SER 87 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1h8u n ARG 88 N 3.58 -1.51 0.00 -1.46 5.12 -1.26 -4.85 116.66 116.28 1h8u n ARG 88 Ca 0.19 1.15 0.15 0.00 -1.93 0.00 0.00 57.85 57.40 1h8u n ARG 88 Cb 0.25 -5.60 0.72 0.00 -1.16 0.00 0.00 32.46 26.66 1h8u n ARG 88 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1h8u n GLY 89 N -0.53 -1.17 0.00 -0.13 0.00 0.21 -5.00 105.19 98.57 1h8u n GLY 89 Ca -0.21 -0.19 0.00 0.00 0.00 0.00 0.00 46.02 45.62 1h8u n GLY 89 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1h8u n GLY 90 N 1.27 3.41 0.83 -0.02 0.00 -1.26 -3.10 105.19 106.33 1h8u n GLY 90 Ca 0.15 -1.91 0.07 0.00 0.00 0.00 0.00 46.02 44.33 1h8u n GLY 90 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1h8u n HIS 91 N -1.14 0.59 -4.27 1.61 8.25 -1.22 -4.44 115.22 114.59 1h8u n HIS 91 Ca 0.00 -0.49 -0.28 0.00 -0.26 0.00 0.00 57.72 56.70 1h8u n HIS 91 Cb 0.00 -0.02 -0.10 0.00 1.12 0.00 0.00 29.99 31.00 1h8u n HIS 91 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1h8u s VAL 93 N -1.55 3.68 0.16 0.00 1.01 -0.45 -0.58 120.40 122.67 1h8u s VAL 93 Ca 0.24 -0.45 0.09 0.00 0.00 0.00 0.00 61.98 61.85 1h8u s VAL 93 Cb -0.09 -2.56 -0.04 0.00 0.00 0.00 0.00 36.38 33.68 1h8u s VAL 93 CO 0.15 0.54 -0.20 0.00 0.00 0.00 0.00 175.10 175.58 1h8u s ALA 94 N -0.05 2.07 -0.16 5.51 0.00 -0.28 -2.44 121.76 126.40 1h8u s ALA 94 Ca 0.00 -1.48 -0.05 0.00 0.00 0.00 0.00 51.96 50.44 1h8u s ALA 94 Cb -0.13 -0.22 -0.03 0.00 0.00 0.00 0.00 23.12 22.74 1h8u s ALA 94 CO 0.03 0.29 -0.01 -1.17 0.00 0.00 0.00 175.76 174.90 1h8u s LEU 95 N -2.55 3.41 0.05 0.00 0.20 0.41 -0.92 118.68 119.29 1h8u s LEU 95 Ca 0.15 -0.07 -0.30 0.00 0.69 0.00 0.00 54.13 54.60 1h8u s LEU 95 Cb -0.07 -1.83 -0.04 0.00 -0.43 0.00 0.00 46.19 43.82 1h8u s LEU 95 CO 0.07 0.17 0.99 0.00 -0.29 0.00 0.00 176.35 177.29 1h8u h THR 97 N 4.49 1.03 -3.64 0.00 1.35 -1.37 -1.99 112.91 112.77 1h8u h THR 97 Ca -0.42 -0.10 -0.69 0.00 -0.55 0.00 0.00 66.41 64.66 1h8u h THR 97 Cb 1.22 0.97 -0.21 0.00 -1.73 0.00 0.00 68.15 68.40 1h8u h THR 97 CO 0.74 0.03 -0.50 -0.13 -0.25 0.00 0.00 175.52 175.42 1h8u s ARG 98 N -5.08 3.25 0.00 4.72 1.81 -1.26 -4.36 118.95 118.03 1h8u s ARG 98 Ca -0.05 -0.80 0.00 0.00 -1.72 0.00 0.00 55.73 53.15 1h8u s ARG 98 Cb 0.17 -3.75 0.00 0.00 -0.45 0.00 0.00 34.95 30.92 1h8u s ARG 98 CO 0.68 -0.53 0.00 0.41 -0.68 0.00 0.00 175.30 175.18 1h8u n GLY 99 N 5.06 3.27 2.40 -3.53 0.00 -1.26 -4.40 105.19 106.73 1h8u n GLY 99 Ca -0.13 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.86 1h8u n GLY 99 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1h8u n GLY 100 N -1.68 0.58 3.81 -0.02 0.00 -0.75 -5.00 105.19 102.13 1h8u n GLY 100 Ca 0.00 -0.21 -0.33 0.00 0.00 0.00 0.00 46.02 45.47 1h8u n GLY 100 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1h8u s TYR 101 N -1.83 3.08 0.04 1.61 1.51 -1.26 -4.60 117.35 115.89 1h8u s TYR 101 Ca 0.00 1.55 -0.03 0.00 -1.01 0.00 0.00 57.07 57.58 1h8u s TYR 101 Cb 0.00 -3.00 -0.04 0.00 -0.11 0.00 0.00 41.96 38.81 1h8u s TYR 101 CO 0.00 -0.79 0.23 -1.58 -1.11 0.00 0.00 175.55 172.31 1h8u s TRP 102 N -2.21 3.54 0.03 2.71 0.52 0.54 0.30 118.94 124.38 1h8u s TRP 102 Ca 0.65 0.40 0.01 0.00 0.02 0.00 0.00 56.10 57.18 1h8u s TRP 102 Cb -0.15 -1.87 -0.02 0.00 -1.15 0.00 0.00 33.47 30.28 1h8u s TRP 102 CO 0.25 0.59 -0.06 0.50 0.02 0.00 0.00 176.95 178.26 1h8u s ARG 103 N -2.17 0.44 0.42 4.98 3.52 -0.09 -0.76 118.95 125.29 1h8u s ARG 103 Ca 0.31 -0.70 -0.22 0.00 -0.13 0.00 0.00 55.73 54.99 1h8u s ARG 103 Cb -0.13 -0.13 -0.10 0.00 -1.56 0.00 0.00 34.95 33.04 1h8u s ARG 103 CO 0.22 0.01 0.99 1.03 -0.81 0.00 0.00 175.30 176.73 1h8u s ARG 104 N -1.55 4.17 0.04 5.12 0.52 -1.26 -1.13 118.95 124.85 1h8u s ARG 104 Ca -0.12 1.28 -0.14 0.00 -0.52 0.00 0.00 55.73 56.23 1h8u s ARG 104 Cb -0.10 -2.32 0.02 0.00 0.52 0.00 0.00 34.95 33.07 1h8u s ARG 104 CO -0.00 -0.10 0.32 0.00 0.02 0.00 0.00 175.30 175.53 1h8u s ALA 105 N -1.95 -0.73 0.01 2.13 0.00 0.26 -4.77 121.76 116.70 1h8u s ALA 105 Ca 0.61 0.08 -0.30 0.00 0.00 0.00 0.00 51.96 52.34 1h8u s ALA 105 Cb -0.15 0.30 -0.06 0.00 0.00 0.00 0.00 23.12 23.22 1h8u s ALA 105 CO 0.19 -0.40 1.36 -1.01 0.00 0.00 0.00 175.76 175.90 1h8u s HIS 106 N -2.41 2.97 0.62 0.00 3.76 -1.23 -2.47 115.29 116.53 1h8u s HIS 106 Ca -0.06 0.91 0.30 0.00 -0.15 0.00 0.00 55.06 56.06 1h8u s HIS 106 Cb -0.01 -3.62 1.60 0.00 1.11 0.00 0.00 32.58 31.66 1h8u s HIS 106 CO -0.02 -2.24 1.97 0.00 -0.85 0.00 0.00 174.74 173.60 1h8u n LEU 108 N -3.44 1.22 -4.79 0.00 4.77 -1.26 -2.02 117.00 111.49 1h8u n LEU 108 Ca 0.03 -0.37 -0.35 0.00 -0.03 0.00 0.00 56.01 55.29 1h8u n LEU 108 Cb 0.47 -0.06 -0.03 0.00 -2.33 0.00 0.00 43.42 41.48 1h8u n LEU 108 CO 0.23 0.21 0.74 -0.60 -1.33 0.00 0.00 177.39 176.64 1h8u s ARG 109 N -2.22 3.78 -0.21 3.23 3.52 -0.65 -4.78 118.95 121.62 1h8u s ARG 109 Ca 0.33 1.47 -0.09 0.00 -0.13 0.00 0.00 55.73 57.30 1h8u s ARG 109 Cb 0.20 -2.18 -0.05 0.00 -1.56 0.00 0.00 34.95 31.36 1h8u s ARG 109 CO 0.41 -0.46 0.11 1.03 -0.81 0.00 0.00 175.30 175.59 1h8u s ARG 110 N -3.06 4.04 0.12 5.12 0.52 -1.26 -4.05 118.95 120.37 1h8u s ARG 110 Ca 0.66 -0.30 -0.03 0.00 -0.52 0.00 0.00 55.73 55.55 1h8u s ARG 110 Cb -0.20 -3.39 -0.03 0.00 0.52 0.00 0.00 34.95 31.85 1h8u s ARG 110 CO 0.24 0.17 0.08 -0.51 0.02 0.00 0.00 175.30 175.30 1h8u s LEU 111 N 0.70 1.78 1.15 2.53 1.43 -0.52 -4.64 118.68 121.10 1h8u s LEU 111 Ca 0.06 -1.08 -0.19 0.00 -1.03 0.00 0.00 54.13 51.90 1h8u s LEU 111 Cb -0.13 0.46 0.27 0.00 0.03 0.00 0.00 46.19 46.82 1h8u s LEU 111 CO 0.01 -0.73 1.17 -2.84 0.23 0.00 0.00 176.35 174.20 1h8u s PRO 112 N -4.00 -0.79 0.24 1.29 0.02 -1.26 -1.47 135.00 129.03 1h8u s PRO 112 Ca 0.18 -0.18 -0.22 0.00 0.02 0.00 0.00 61.00 60.80 1h8u s PRO 112 Cb 0.07 -1.66 0.04 0.00 0.02 0.00 0.00 34.50 32.97 1h8u s PRO 112 CO -0.02 -3.41 0.72 -0.59 -0.33 0.00 0.00 177.00 173.38 1h8u s PHE 113 N -3.24 -0.26 -0.14 6.54 -0.71 -0.48 -1.56 117.98 118.13 1h8u s PHE 113 Ca 0.72 -0.13 0.01 0.00 -1.04 0.00 0.00 56.93 56.49 1h8u s PHE 113 Cb -0.08 0.67 -0.00 0.00 -1.21 0.00 0.00 43.02 42.40 1h8u s PHE 113 CO 0.55 -1.11 -0.17 0.42 -1.34 0.00 0.00 175.22 173.57 1h8u s ILE 114 N -3.81 2.57 0.09 -4.49 -1.09 -0.98 -0.28 121.20 113.20 1h8u s ILE 114 Ca 0.09 -0.81 0.06 0.00 -2.23 0.00 0.00 60.65 57.76 1h8u s ILE 114 Cb -0.04 -2.07 -0.04 0.00 -1.58 0.00 0.00 42.46 38.73 1h8u s ILE 114 CO 0.02 0.53 -0.06 0.00 -1.23 0.00 0.00 174.94 174.20 1h8u s SER 116 N -2.16 4.34 0.00 0.00 1.04 0.65 -0.55 113.70 117.01 1h8u s SER 116 Ca 0.23 -0.30 0.00 0.00 0.48 0.00 0.00 55.95 56.36 1h8u s SER 116 Cb -0.11 -0.88 0.00 0.00 0.10 0.00 0.00 66.02 65.13 1h8u s SER 116 CO 0.15 0.24 0.00 0.00 0.98 0.00 0.00 173.24 174.61