#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hwg s SER 5 N 0.00 3.93 0.62 8.00 1.04 -1.26 -5.05 113.70 120.99 3hwg s SER 5 Ca 0.00 0.15 -0.17 0.00 0.48 0.00 0.00 55.95 56.41 3hwg s SER 5 Cb 0.00 -0.46 -0.02 0.00 0.10 0.00 0.00 66.02 65.65 3hwg s SER 5 CO 0.00 -2.18 1.17 -1.81 0.98 0.00 0.00 173.24 171.39 3hwg s ASP 6 N -4.75 5.11 0.05 7.02 -0.00 -1.26 -5.06 116.67 117.79 3hwg s ASP 6 Ca 0.68 2.24 0.06 0.00 -0.00 0.00 0.00 52.55 55.53 3hwg s ASP 6 Cb -0.06 -2.58 -0.03 0.00 -0.00 0.00 0.00 42.92 40.25 3hwg s ASP 6 CO 0.48 -1.64 -0.17 -0.76 -0.00 0.00 0.00 175.17 173.08 3hwg s LEU 7 N -4.40 2.20 0.17 1.23 1.43 -1.26 -5.11 118.68 112.94 3hwg s LEU 7 Ca 0.73 -0.52 -0.32 0.00 -1.03 0.00 0.00 54.13 52.99 3hwg s LEU 7 Cb -0.26 -0.74 -0.11 0.00 0.03 0.00 0.00 46.19 45.11 3hwg s LEU 7 CO 0.36 0.06 1.66 -0.63 0.23 0.00 0.00 176.35 178.03 3hwg s ILE 8 N -0.92 2.41 0.49 -0.59 1.01 -1.26 -4.93 121.20 117.41 3hwg s ILE 8 Ca 0.04 0.25 -0.23 0.00 0.00 0.00 0.00 60.65 60.71 3hwg s ILE 8 Cb -0.09 -3.16 -0.06 0.00 0.01 0.00 0.00 42.46 39.16 3hwg s ILE 8 CO 0.02 0.02 1.25 -2.84 0.00 0.00 0.00 174.94 173.39 3hwg s PRO 9 N 1.39 3.50 0.38 2.79 0.02 -1.26 -4.86 135.00 136.97 3hwg s PRO 9 Ca 0.73 1.99 -0.28 0.00 0.02 0.00 0.00 61.00 63.46 3hwg s PRO 9 Cb -0.46 -2.36 -0.10 0.00 0.02 0.00 0.00 34.50 31.60 3hwg s PRO 9 CO 0.32 -0.82 1.45 0.00 -0.33 0.00 0.00 177.00 177.61 3hwg s ALA 10 N -1.43 3.50 0.64 -1.55 0.00 -1.26 -4.96 121.76 116.70 3hwg s ALA 10 Ca 0.67 1.50 -0.14 0.00 0.00 0.00 0.00 51.96 53.99 3hwg s ALA 10 Cb -0.34 -3.58 -0.01 0.00 0.00 0.00 0.00 23.12 19.18 3hwg s ALA 10 CO 0.41 -1.01 1.07 -1.25 0.00 0.00 0.00 175.76 174.97 3hwg s PRO 11 N -2.12 3.06 0.46 0.00 0.04 -1.26 -5.00 135.00 130.18 3hwg s PRO 11 Ca 0.54 1.15 -0.24 0.00 0.04 0.00 0.00 61.00 62.49 3hwg s PRO 11 Cb -0.45 -2.00 -0.07 0.00 0.04 0.00 0.00 34.50 32.02 3hwg s PRO 11 CO 0.60 -1.01 1.31 -1.25 0.04 0.00 0.00 177.00 176.69 3hwg s PRO 12 N -4.42 3.68 0.65 0.56 0.04 -1.26 -4.89 135.00 129.37 3hwg s PRO 12 Ca 0.62 2.15 0.43 0.00 0.04 0.00 0.00 61.00 64.24 3hwg s PRO 12 Cb -0.16 -2.56 2.29 0.00 0.04 0.00 0.00 34.50 34.11 3hwg s PRO 12 CO 0.44 -0.72 2.33 -0.07 0.04 0.00 0.00 177.00 179.02 3hwg h LEU 13 N 2.21 0.00 -2.22 -3.56 3.38 -1.94 -0.98 115.31 112.19 3hwg h LEU 13 Ca -0.50 0.00 0.01 0.00 0.09 0.00 0.00 57.88 57.47 3hwg h LEU 13 Cb 1.26 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.01 3hwg h LEU 13 CO 0.61 0.00 0.02 0.77 0.09 0.00 0.00 178.44 179.92 3hwg h SER 14 N 0.00 0.00 0.08 -0.43 4.64 -2.02 -1.10 113.55 114.72 3hwg h SER 14 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3hwg h SER 14 Cb 0.06 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.15 3hwg h SER 14 CO 0.00 0.00 -0.04 0.29 -0.87 0.00 0.00 176.83 176.21 3hwg n LYS 15 N -4.19 1.22 -3.84 4.77 5.02 -0.37 -4.71 118.16 116.05 3hwg n LYS 15 Ca -0.03 -0.50 -0.35 0.00 -2.02 0.00 0.00 58.31 55.41 3hwg n LYS 15 Cb 0.11 -1.49 -0.13 0.00 -0.02 0.00 0.00 35.03 33.50 3hwg n LYS 15 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 3hwg s VAL 16 N -2.13 3.08 0.73 -0.18 1.01 -0.42 -4.95 120.40 117.56 3hwg s VAL 16 Ca 0.38 -1.95 -0.15 0.00 0.00 0.00 0.00 61.98 60.26 3hwg s VAL 16 Cb 0.21 -3.06 0.04 0.00 0.00 0.00 0.00 36.38 33.57 3hwg s VAL 16 CO 0.39 -0.55 1.19 -2.84 0.00 0.00 0.00 175.10 173.28 3hwg s PRO 17 N 1.13 2.17 -0.13 2.72 0.02 -1.26 -4.96 135.00 134.69 3hwg s PRO 17 Ca 0.06 1.69 -0.02 0.00 0.02 0.00 0.00 61.00 62.75 3hwg s PRO 17 Cb -0.22 -1.84 -0.03 0.00 0.02 0.00 0.00 34.50 32.43 3hwg s PRO 17 CO -0.04 -1.80 -0.07 -1.17 -0.33 0.00 0.00 177.00 173.60 3hwg s LEU 18 N -5.20 3.11 0.04 -5.54 2.96 -1.26 -4.07 118.68 108.71 3hwg s LEU 18 Ca 0.73 -0.15 -0.33 0.00 -0.22 0.00 0.00 54.13 54.16 3hwg s LEU 18 Cb -0.27 -1.72 -0.12 0.00 0.50 0.00 0.00 46.19 44.58 3hwg s LEU 18 CO 0.46 0.22 1.78 1.67 -1.32 0.00 0.00 176.35 179.15 3hwg n GLN 19 N 3.20 2.31 -2.06 1.98 -0.06 0.27 -4.91 117.38 118.11 3hwg n GLN 19 Ca -0.18 0.84 -0.41 0.00 -2.00 0.00 0.00 57.00 55.25 3hwg n GLN 19 Cb 0.53 -2.68 -0.03 0.00 -4.06 0.00 0.00 30.24 24.01 3hwg n GLN 19 CO 0.00 0.00 0.00 -1.14 -0.20 0.00 0.00 177.06 175.72 3hwg s GLN 20 N 2.83 4.29 -1.23 3.69 0.74 -1.26 -3.72 119.66 125.01 3hwg s GLN 20 Ca 0.86 2.24 -0.10 0.00 0.05 0.00 0.00 55.36 58.41 3hwg s GLN 20 Cb -0.64 -3.14 -0.01 0.00 1.10 0.00 0.00 33.01 30.32 3hwg s GLN 20 CO 0.44 -0.39 0.71 -1.71 -0.55 0.00 0.00 175.29 173.79 3hwg n ASN 21 N 2.58 -3.39 -4.74 6.67 5.15 -1.26 -4.84 115.26 115.43 3hwg n ASN 21 Ca 0.07 -0.94 -0.42 0.00 -0.60 0.00 0.00 54.58 52.70 3hwg n ASN 21 Cb 0.41 -3.65 -0.02 0.00 -0.53 0.00 0.00 39.78 35.99 3hwg n ASN 21 CO 0.00 0.00 0.00 0.12 1.40 0.00 0.00 177.26 178.78 3hwg s PHE 22 N -3.61 2.83 -0.48 1.20 2.19 -1.24 -4.96 117.98 113.91 3hwg s PHE 22 Ca 0.26 0.58 -0.08 0.00 0.33 0.00 0.00 56.93 58.02 3hwg s PHE 22 Cb -0.08 -4.10 0.12 0.00 -1.31 0.00 0.00 43.02 37.65 3hwg s PHE 22 CO 0.84 -3.92 0.34 -0.65 1.83 0.00 0.00 175.22 173.67 3hwg s GLN 23 N 0.30 2.44 0.30 10.12 -0.21 -1.26 -4.81 119.66 126.54 3hwg s GLN 23 Ca 0.69 -1.82 -0.02 0.00 0.02 0.00 0.00 55.36 54.23 3hwg s GLN 23 Cb -0.49 -3.88 0.45 0.00 1.00 0.00 0.00 33.01 30.09 3hwg s GLN 23 CO 0.40 -1.18 1.96 0.38 -2.12 0.00 0.00 175.29 174.73 3hwg h ASP 24 N 8.32 0.93 -0.60 5.90 2.03 -1.99 -2.24 116.42 128.77 3hwg h ASP 24 Ca -0.18 -0.03 -0.06 0.00 -0.73 0.00 0.00 57.03 56.03 3hwg h ASP 24 Cb 1.06 -0.23 -0.03 0.00 -0.83 0.00 0.00 39.33 39.30 3hwg h ASP 24 CO 0.83 0.69 0.17 -0.55 -1.03 0.00 0.00 179.24 179.35 3hwg h ASN 25 N 1.08 0.91 1.26 4.15 -1.07 -1.99 -2.94 115.58 116.98 3hwg h ASN 25 Ca 0.29 -0.17 -0.07 0.00 0.07 0.00 0.00 56.30 56.42 3hwg h ASN 25 Cb -0.09 -0.24 -0.01 0.00 -2.07 0.00 0.00 38.32 35.91 3hwg h ASN 25 CO -0.06 0.87 -0.33 1.56 0.07 0.00 0.00 177.43 179.55 3hwg h GLN 26 N 0.94 0.00 0.00 4.14 1.08 -1.85 -3.24 115.11 116.18 3hwg h GLN 26 Ca 0.20 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.40 3hwg h GLN 26 Cb 0.30 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.73 3hwg h GLN 26 CO -0.00 0.33 -0.13 0.35 -0.95 0.00 0.00 178.83 178.43 3hwg h PHE 27 N 0.00 0.00 -4.13 2.96 3.04 -1.25 -3.45 116.94 114.11 3hwg h PHE 27 Ca -0.00 0.00 -0.46 0.00 3.98 0.00 0.00 57.97 61.49 3hwg h PHE 27 Cb 1.04 0.00 0.14 0.00 2.56 0.00 0.00 35.95 39.69 3hwg h PHE 27 CO 0.00 0.00 0.27 1.14 -2.02 0.00 0.00 178.31 177.70 3hwg s GLN 28 N -3.12 1.00 0.00 1.11 -2.07 -1.20 -4.84 119.66 110.53 3hwg s GLN 28 Ca 0.09 0.40 0.00 0.00 -1.82 0.00 0.00 55.36 54.03 3hwg s GLN 28 Cb 0.12 -1.81 0.00 0.00 -1.09 0.00 0.00 33.01 30.23 3hwg s GLN 28 CO 0.63 -2.32 0.00 0.41 -1.32 0.00 0.00 175.29 172.69 3hwg n GLY 29 N -1.83 -1.61 3.75 2.60 0.00 0.17 -4.89 105.19 103.38 3hwg n GLY 29 Ca 0.06 -2.06 -0.39 0.00 0.00 0.00 0.00 46.02 43.63 3hwg n GLY 29 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3hwg s LYS 30 N 0.00 4.36 -0.02 1.61 2.20 -1.26 -1.00 119.74 125.63 3hwg s LYS 30 Ca 0.00 0.81 0.07 0.00 -0.36 0.00 0.00 55.97 56.48 3hwg s LYS 30 Cb 0.00 -3.36 -0.02 0.00 -1.51 0.00 0.00 37.83 32.95 3hwg s LYS 30 CO 0.00 0.32 -0.23 -1.58 -0.36 0.00 0.00 175.35 173.50 3hwg s TRP 31 N -0.06 2.09 -0.02 4.03 0.52 -0.05 -4.71 118.94 120.73 3hwg s TRP 31 Ca 0.33 -0.42 -0.14 0.00 0.02 0.00 0.00 56.10 55.89 3hwg s TRP 31 Cb -0.19 -1.35 -0.05 0.00 -1.15 0.00 0.00 33.47 30.73 3hwg s TRP 31 CO 0.18 -0.05 0.39 0.71 0.02 0.00 0.00 176.95 178.20 3hwg s TYR 32 N -0.50 3.70 -0.94 -1.98 2.02 0.21 -0.49 117.35 119.37 3hwg s TYR 32 Ca 0.08 0.94 -0.21 0.00 -0.37 0.00 0.00 57.07 57.51 3hwg s TYR 32 Cb -0.09 -2.28 0.09 0.00 -0.40 0.00 0.00 41.96 39.27 3hwg s TYR 32 CO -0.00 0.61 1.26 0.08 -1.57 0.00 0.00 175.55 175.93 3hwg s VAL 33 N -0.93 4.29 -0.19 0.71 1.01 -0.26 -0.56 120.40 124.47 3hwg s VAL 33 Ca 0.23 -1.02 0.16 0.00 0.00 0.00 0.00 61.98 61.35 3hwg s VAL 33 Cb -0.16 -4.90 0.08 0.00 0.00 0.00 0.00 36.38 31.39 3hwg s VAL 33 CO 0.12 -1.71 1.39 0.58 0.00 0.00 0.00 175.10 175.48 3hwg h VAL 34 N 6.28 0.69 -3.43 2.92 2.07 -1.46 -3.41 116.25 119.92 3hwg h VAL 34 Ca 0.12 -2.01 -0.17 0.00 0.82 0.00 0.00 66.70 65.46 3hwg h VAL 34 Cb 1.02 2.30 -0.24 0.00 -1.52 0.00 0.00 31.29 32.86 3hwg h VAL 34 CO 1.26 0.40 -0.51 -0.83 0.02 0.00 0.00 177.57 177.90 3hwg s GLY 35 N -4.46 -0.04 -0.08 2.17 0.00 -0.98 -3.86 107.32 100.08 3hwg s GLY 35 Ca 0.04 0.17 -0.04 0.00 0.00 0.00 0.00 44.72 44.89 3hwg s GLY 35 CO 0.74 0.07 0.18 -2.27 0.00 0.00 0.00 173.10 171.83 3hwg s LEU 36 N -0.61 0.46 0.02 0.66 2.96 0.66 -0.50 118.68 122.34 3hwg s LEU 36 Ca -0.07 0.38 -0.01 0.00 -0.22 0.00 0.00 54.13 54.21 3hwg s LEU 36 Cb -0.04 0.47 -0.02 0.00 0.50 0.00 0.00 46.19 47.10 3hwg s LEU 36 CO 0.01 -0.17 -0.00 0.00 -1.32 0.00 0.00 176.35 174.87 3hwg s ALA 37 N 1.43 0.05 0.00 5.97 0.00 -0.41 0.45 121.76 129.25 3hwg s ALA 37 Ca -0.07 -0.52 0.00 0.00 0.00 0.00 0.00 51.96 51.37 3hwg s ALA 37 Cb -0.11 0.15 0.00 0.00 0.00 0.00 0.00 23.12 23.15 3hwg s ALA 37 CO -0.07 -0.17 0.00 0.41 0.00 0.00 0.00 175.76 175.93 3hwg n GLY 38 N 1.54 1.12 0.13 0.00 0.00 -0.97 0.69 105.19 107.69 3hwg n GLY 38 Ca -0.24 -0.95 0.13 0.00 0.00 0.00 0.00 46.02 44.97 3hwg n GLY 38 CO 0.00 0.00 0.00 3.45 0.00 0.00 0.00 173.32 176.77 3hwg h ASN 39 N 0.00 0.00 -0.30 1.61 -1.07 -1.77 -2.53 115.58 111.52 3hwg h ASN 39 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.37 3hwg h ASN 39 Cb 0.00 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.25 3hwg h ASN 39 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.43 177.50 3hwg n ALA 40 N -1.80 2.27 -2.72 4.14 0.00 -1.26 -4.69 120.51 116.44 3hwg n ALA 40 Ca 0.04 -1.03 -0.36 0.00 0.00 0.00 0.00 53.44 52.09 3hwg n ALA 40 Cb 0.34 -0.48 -0.08 0.00 0.00 0.00 0.00 19.45 19.23 3hwg n ALA 40 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 3hwg s ILE 41 N -1.01 5.36 -0.01 0.00 -1.09 -0.95 -5.09 121.20 118.40 3hwg s ILE 41 Ca 0.23 0.35 0.02 0.00 -2.23 0.00 0.00 60.65 59.02 3hwg s ILE 41 Cb 0.13 -3.54 0.00 0.00 -1.58 0.00 0.00 42.46 37.47 3hwg s ILE 41 CO 0.17 0.41 -0.05 -0.76 -1.23 0.00 0.00 174.94 173.48 3hwg s LEU 42 N 0.46 1.82 0.30 2.97 1.43 -1.26 -4.31 118.68 120.09 3hwg s LEU 42 Ca 0.12 -0.10 -0.30 0.00 -1.03 0.00 0.00 54.13 52.82 3hwg s LEU 42 Cb -0.12 -0.32 -0.11 0.00 0.03 0.00 0.00 46.19 45.67 3hwg s LEU 42 CO 0.01 0.04 1.52 -0.13 0.23 0.00 0.00 176.35 178.01 3hwg s ARG 43 N 0.15 4.17 -0.34 1.70 0.52 -0.07 -5.00 118.95 120.08 3hwg s ARG 43 Ca -0.01 2.49 -0.01 0.00 -0.52 0.00 0.00 55.73 57.67 3hwg s ARG 43 Cb -0.05 -3.04 0.12 0.00 0.52 0.00 0.00 34.95 32.50 3hwg s ARG 43 CO -0.00 -0.53 0.17 -1.21 0.02 0.00 0.00 175.30 173.75 3hwg s GLU 44 N -0.87 0.53 0.45 3.54 0.41 -1.26 -5.01 118.70 116.49 3hwg s GLU 44 Ca 0.59 -1.11 0.20 0.00 -0.41 0.00 0.00 54.97 54.25 3hwg s GLU 44 Cb -0.46 -1.46 1.08 0.00 -1.78 0.00 0.00 34.13 31.52 3hwg s GLU 44 CO 0.50 -1.11 1.95 0.38 -0.49 0.00 0.00 175.26 176.49 3hwg h ASP 45 N 7.58 0.00 -0.17 -0.19 3.04 -1.99 -2.69 116.42 121.99 3hwg h ASP 45 Ca -0.06 0.00 -0.12 0.00 -3.24 0.00 0.00 57.03 53.61 3hwg h ASP 45 Cb 0.98 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 39.27 3hwg h ASP 45 CO 0.37 0.23 -0.35 0.07 -2.04 0.00 0.00 179.24 177.52 3hwg h LYS 46 N 0.00 0.54 -2.81 4.15 5.09 -2.04 -3.38 116.57 118.12 3hwg h LYS 46 Ca -0.00 -0.35 -0.61 0.00 0.09 0.00 0.00 60.65 59.78 3hwg h LYS 46 Cb 0.50 0.04 -0.40 0.00 0.10 0.00 0.00 32.23 32.47 3hwg h LYS 46 CO 0.03 0.96 -0.74 0.16 -2.09 0.00 0.00 179.45 177.77 3hwg s ASP 47 N -6.51 3.43 0.53 7.07 3.84 -1.14 -5.12 116.67 118.77 3hwg s ASP 47 Ca -0.13 -3.43 -0.22 0.00 -0.00 0.00 0.00 52.55 48.77 3hwg s ASP 47 Cb 0.06 -1.13 -0.06 0.00 -1.38 0.00 0.00 42.92 40.42 3hwg s ASP 47 CO 0.81 -0.14 1.28 -2.65 -0.00 0.00 0.00 175.17 174.47 3hwg n PRO 48 N 2.46 1.60 -2.09 2.11 -0.02 -1.03 -4.74 135.00 133.30 3hwg n PRO 48 Ca 0.22 0.59 -0.42 0.00 -2.02 0.00 0.00 63.50 61.87 3hwg n PRO 48 Cb 0.40 -2.47 -0.03 0.00 -0.02 0.00 0.00 33.50 31.38 3hwg n PRO 48 CO 0.00 0.00 0.00 -1.14 1.98 0.00 0.00 175.50 176.34 3hwg s GLN 49 N -2.73 4.29 0.26 -0.52 2.00 -1.26 -4.91 119.66 116.80 3hwg s GLN 49 Ca 0.70 2.19 -0.16 0.00 -2.00 0.00 0.00 55.36 56.09 3hwg s GLN 49 Cb -0.44 -3.19 -0.08 0.00 0.80 0.00 0.00 33.01 30.10 3hwg s GLN 49 CO 0.50 -0.45 0.70 0.15 -0.50 0.00 0.00 175.29 175.70 3hwg s LYS 50 N 0.63 4.07 0.38 1.67 1.02 -1.26 -1.11 119.74 125.14 3hwg s LYS 50 Ca 0.64 0.69 -0.28 0.00 0.02 0.00 0.00 55.97 57.04 3hwg s LYS 50 Cb -0.40 -2.65 -0.11 0.00 -0.52 0.00 0.00 37.83 34.15 3hwg s LYS 50 CO 0.34 0.28 1.49 1.41 -0.92 0.00 0.00 175.35 177.95 3hwg s MET 51 N -2.52 4.10 0.33 1.68 -2.45 0.54 -4.68 119.30 116.31 3hwg s MET 51 Ca 0.48 2.58 0.04 0.00 -1.25 0.00 0.00 55.69 57.54 3hwg s MET 51 Cb -0.13 -2.97 -0.06 0.00 1.25 0.00 0.00 34.83 32.92 3hwg s MET 51 CO 0.19 -0.54 0.06 1.52 1.05 0.00 0.00 175.02 177.30 3hwg s TYR 52 N -1.11 1.98 0.16 4.11 1.13 -1.26 -4.68 117.35 117.68 3hwg s TYR 52 Ca 0.53 -0.96 0.10 0.00 -1.41 0.00 0.00 57.07 55.33 3hwg s TYR 52 Cb -0.47 -1.30 -0.04 0.00 -1.10 0.00 0.00 41.96 39.05 3hwg s TYR 52 CO 0.63 0.02 -0.23 0.00 -2.51 0.00 0.00 175.55 173.46 3hwg s ALA 53 N -3.27 2.31 -0.07 9.51 0.00 -0.91 -1.10 121.76 128.22 3hwg s ALA 53 Ca 0.36 -1.52 0.01 0.00 0.00 0.00 0.00 51.96 50.80 3hwg s ALA 53 Cb 0.09 -0.30 0.02 0.00 0.00 0.00 0.00 23.12 22.92 3hwg s ALA 53 CO 0.16 0.41 -0.07 0.99 0.00 0.00 0.00 175.76 177.25 3hwg s THR 54 N -1.54 0.80 -0.20 0.00 2.01 0.35 -0.53 115.64 116.53 3hwg s THR 54 Ca 0.16 -0.22 -0.05 0.00 0.31 0.00 0.00 61.69 61.89 3hwg s THR 54 Cb -0.08 -0.81 -0.02 0.00 0.01 0.00 0.00 72.50 71.59 3hwg s THR 54 CO 0.08 0.30 0.00 -0.63 -0.69 0.00 0.00 174.62 173.68 3hwg s ILE 55 N 1.22 3.95 -0.29 1.82 1.01 0.12 -0.87 121.20 128.15 3hwg s ILE 55 Ca -0.05 -0.31 -0.10 0.00 0.00 0.00 0.00 60.65 60.18 3hwg s ILE 55 Cb -0.14 -2.79 -0.03 0.00 0.01 0.00 0.00 42.46 39.51 3hwg s ILE 55 CO -0.02 0.42 0.17 -0.31 0.00 0.00 0.00 174.94 175.20 3hwg s TYR 56 N 1.06 3.19 -0.26 3.97 2.02 -0.17 -1.46 117.35 125.70 3hwg s TYR 56 Ca 0.02 -0.20 -0.03 0.00 -0.37 0.00 0.00 57.07 56.50 3hwg s TYR 56 Cb -0.14 -2.37 0.02 0.00 -0.40 0.00 0.00 41.96 39.07 3hwg s TYR 56 CO 0.02 -0.30 -0.03 -1.21 -1.57 0.00 0.00 175.55 172.45 3hwg s GLU 57 N 1.69 2.90 -0.14 -0.62 2.02 -0.52 0.44 118.70 124.47 3hwg s GLU 57 Ca 0.06 -0.94 -0.29 0.00 0.02 0.00 0.00 54.97 53.81 3hwg s GLU 57 Cb -0.16 -3.06 -0.01 0.00 0.10 0.00 0.00 34.13 30.99 3hwg s GLU 57 CO 0.08 -0.40 1.14 -1.17 0.02 0.00 0.00 175.26 174.94 3hwg s LEU 58 N 1.36 4.20 0.56 1.80 0.20 -1.26 -0.97 118.68 124.57 3hwg s LEU 58 Ca 0.01 1.61 -0.04 0.00 0.69 0.00 0.00 54.13 56.40 3hwg s LEU 58 Cb -0.17 -3.55 0.01 0.00 -0.43 0.00 0.00 46.19 42.05 3hwg s LEU 58 CO -0.03 -0.64 0.85 -0.54 -0.29 0.00 0.00 176.35 175.71 3hwg s LYS 59 N 2.83 2.93 0.37 1.98 1.02 0.23 -4.96 119.74 124.13 3hwg s LYS 59 Ca 0.51 -0.13 0.04 0.00 0.02 0.00 0.00 55.97 56.41 3hwg s LYS 59 Cb -0.20 -2.33 0.70 0.00 -0.52 0.00 0.00 37.83 35.48 3hwg s LYS 59 CO 0.15 -0.62 2.00 1.05 -0.92 0.00 0.00 175.35 177.01 3hwg h GLU 60 N -0.06 0.69 0.00 1.68 4.11 -1.96 -0.09 114.58 118.95 3hwg h GLU 60 Ca -0.45 -0.06 0.00 0.00 0.07 0.00 0.00 59.36 58.92 3hwg h GLU 60 Cb 1.26 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 30.36 3hwg h GLU 60 CO 0.60 0.49 0.00 -0.40 0.07 0.00 0.00 179.01 179.77 3hwg n ASP 61 N -4.43 0.00 -0.02 3.06 5.75 -1.26 -4.89 116.55 114.77 3hwg n ASP 61 Ca 0.04 -1.15 -0.00 0.00 -0.01 0.00 0.00 54.79 53.67 3hwg n ASP 61 Cb 0.08 0.00 -0.00 0.00 -1.03 0.00 0.00 41.12 40.17 3hwg n ASP 61 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 3hwg n LYS 62 N -0.85 -0.34 -2.61 0.11 4.76 -0.05 -4.99 118.16 114.19 3hwg n LYS 62 Ca 0.15 0.12 -0.26 0.00 -2.87 0.00 0.00 58.31 55.44 3hwg n LYS 62 Cb 0.07 -3.40 0.01 0.00 -1.84 0.00 0.00 35.03 29.87 3hwg n LYS 62 CO 0.00 0.00 0.00 -1.54 -1.37 0.00 0.00 177.40 174.49 3hwg s SER 63 N -2.06 5.94 -0.15 4.39 1.04 -1.26 -4.54 113.70 117.06 3hwg s SER 63 Ca 0.00 0.75 -0.07 0.00 0.48 0.00 0.00 55.95 57.11 3hwg s SER 63 Cb 0.00 -1.94 -0.04 0.00 0.10 0.00 0.00 66.02 64.14 3hwg s SER 63 CO 0.00 -0.78 0.08 -0.31 0.98 0.00 0.00 173.24 173.21 3hwg s TYR 64 N -2.80 3.33 -0.36 5.02 4.12 0.12 -0.60 117.35 126.18 3hwg s TYR 64 Ca 0.50 0.23 -0.25 0.00 0.02 0.00 0.00 57.07 57.56 3hwg s TYR 64 Cb -0.10 -2.00 0.01 0.00 -1.52 0.00 0.00 41.96 38.35 3hwg s TYR 64 CO 0.44 0.36 0.90 1.21 0.02 0.00 0.00 175.55 178.49 3hwg s ASN 65 N -0.19 6.68 -0.23 2.29 2.47 -0.14 -1.05 114.94 124.77 3hwg s ASN 65 Ca 0.08 0.59 -0.04 0.00 0.42 0.00 0.00 52.86 53.91 3hwg s ASN 65 Cb -0.12 -2.46 -0.01 0.00 -1.45 0.00 0.00 41.25 37.22 3hwg s ASN 65 CO 0.01 -0.82 -0.03 -0.69 -3.72 0.00 0.00 177.10 171.85 3hwg s VAL 66 N 3.39 3.47 -0.18 -5.21 1.01 0.83 -1.44 120.40 122.26 3hwg s VAL 66 Ca 0.37 -0.49 0.01 0.00 0.00 0.00 0.00 61.98 61.87 3hwg s VAL 66 Cb -0.12 -2.60 0.02 0.00 0.00 0.00 0.00 36.38 33.68 3hwg s VAL 66 CO 0.18 0.39 -0.19 -0.89 0.00 0.00 0.00 175.10 174.58 3hwg s THR 67 N 1.49 2.10 -0.16 3.92 2.01 -0.53 -0.87 115.64 123.59 3hwg s THR 67 Ca 0.05 -0.95 -0.08 0.00 0.31 0.00 0.00 61.69 61.02 3hwg s THR 67 Cb -0.15 -1.89 -0.04 0.00 0.01 0.00 0.00 72.50 70.43 3hwg s THR 67 CO -0.02 0.52 0.12 -0.44 -0.69 0.00 0.00 174.62 174.10 3hwg s SER 68 N 1.29 6.12 -0.21 3.53 0.01 0.68 0.12 113.70 125.24 3hwg s SER 68 Ca 0.05 0.29 -0.01 0.00 1.31 0.00 0.00 55.95 57.58 3hwg s SER 68 Cb -0.13 -2.03 0.02 0.00 0.21 0.00 0.00 66.02 64.09 3hwg s SER 68 CO -0.12 0.27 -0.12 -0.69 0.41 0.00 0.00 173.24 172.99 3hwg s VAL 69 N -0.20 2.65 0.12 3.43 1.01 0.31 -0.60 120.40 127.12 3hwg s VAL 69 Ca 0.10 -0.86 0.08 0.00 0.00 0.00 0.00 61.98 61.30 3hwg s VAL 69 Cb -0.12 -2.22 -0.04 0.00 0.00 0.00 0.00 36.38 34.00 3hwg s VAL 69 CO 0.01 0.40 -0.20 -0.76 0.00 0.00 0.00 175.10 174.54 3hwg s LEU 70 N 1.34 2.34 -0.45 3.92 1.02 -0.08 -2.15 118.68 124.63 3hwg s LEU 70 Ca 0.03 -0.74 -0.13 0.00 0.02 0.00 0.00 54.13 53.32 3hwg s LEU 70 Cb -0.15 -0.88 0.07 0.00 0.02 0.00 0.00 46.19 45.26 3hwg s LEU 70 CO -0.08 0.04 0.34 0.12 0.02 0.00 0.00 176.35 176.79 3hwg s PHE 71 N -1.41 3.28 -0.02 0.29 5.99 -1.26 0.29 117.98 125.14 3hwg s PHE 71 Ca 0.09 -1.18 -0.00 0.00 0.00 0.00 0.00 56.93 55.84 3hwg s PHE 71 Cb -0.09 -3.07 0.02 0.00 0.00 0.00 0.00 43.02 39.89 3hwg s PHE 71 CO 0.05 -0.82 0.04 1.03 -0.00 0.00 0.00 175.22 175.52 3hwg s ARG 72 N 1.55 -0.01 -1.36 10.12 1.81 -0.05 -4.88 118.95 126.13 3hwg s ARG 72 Ca 0.04 0.17 -0.05 0.00 -1.72 0.00 0.00 55.73 54.17 3hwg s ARG 72 Cb -0.24 -0.18 0.02 0.00 -0.45 0.00 0.00 34.95 34.10 3hwg s ARG 72 CO 0.05 -0.13 0.87 1.63 -0.68 0.00 0.00 175.30 177.04 3hwg n LYS 73 N 3.94 -5.67 -1.73 3.54 4.01 -1.26 -1.80 118.16 119.19 3hwg n LYS 73 Ca -0.24 0.67 -0.21 0.00 -0.51 0.00 0.00 58.31 58.02 3hwg n LYS 73 Cb 0.52 -5.44 -0.08 0.00 -0.51 0.00 0.00 35.03 29.53 3hwg n LYS 73 CO 0.00 0.00 0.00 1.63 -1.11 0.00 0.00 177.40 177.92 3hwg n LYS 74 N -4.45 -1.48 -4.11 1.97 4.76 -1.26 -4.97 118.16 108.62 3hwg n LYS 74 Ca -0.17 1.20 -0.12 0.00 -2.87 0.00 0.00 58.31 56.35 3hwg n LYS 74 Cb 0.62 -5.63 -0.11 0.00 -1.84 0.00 0.00 35.03 28.08 3hwg n LYS 74 CO 0.00 0.00 0.00 0.15 -1.37 0.00 0.00 177.40 176.18 3hwg s LYS 75 N -3.97 0.65 -0.37 1.97 1.02 -0.74 -5.11 119.74 113.19 3hwg s LYS 75 Ca 0.00 -1.00 -0.26 0.00 0.02 0.00 0.00 55.97 54.73 3hwg s LYS 75 Cb 0.00 -0.26 0.02 0.00 -0.52 0.00 0.00 37.83 37.07 3hwg s LYS 75 CO 0.00 0.02 0.94 0.00 -0.92 0.00 0.00 175.35 175.39 3hwg s ASP 77 N 1.89 6.59 -0.18 0.00 1.11 0.14 -4.94 116.67 121.28 3hwg s ASP 77 Ca 0.39 0.70 0.01 0.00 0.18 0.00 0.00 52.55 53.83 3hwg s ASP 77 Cb -0.12 -2.18 0.02 0.00 1.07 0.00 0.00 42.92 41.72 3hwg s ASP 77 CO 0.19 0.30 -0.20 -0.31 1.18 0.00 0.00 175.17 176.33 3hwg s TYR 78 N -0.72 2.78 -0.34 4.23 2.02 -1.26 -0.90 117.35 123.16 3hwg s TYR 78 Ca 0.19 -1.65 -0.04 0.00 -0.37 0.00 0.00 57.07 55.20 3hwg s TYR 78 Cb -0.14 -1.92 0.06 0.00 -0.40 0.00 0.00 41.96 39.55 3hwg s TYR 78 CO 0.08 -0.81 0.08 -0.46 -1.57 0.00 0.00 175.55 172.88 3hwg s TRP 79 N 1.29 3.32 -0.12 2.71 -0.00 0.23 -4.96 118.94 121.41 3hwg s TRP 79 Ca 0.05 -1.78 0.03 0.00 -0.00 0.00 0.00 56.10 54.40 3hwg s TRP 79 Cb -0.13 -2.40 0.00 0.00 -0.00 0.00 0.00 33.47 30.95 3hwg s TRP 79 CO -0.13 -0.81 -0.22 -1.50 -0.00 0.00 0.00 176.95 174.29 3hwg s ILE 80 N 1.30 2.14 0.26 5.86 1.10 -1.26 -0.23 121.20 130.37 3hwg s ILE 80 Ca -0.01 -0.98 -0.13 0.00 -0.51 0.00 0.00 60.65 59.02 3hwg s ILE 80 Cb -0.20 -1.84 -0.00 0.00 0.15 0.00 0.00 42.46 40.57 3hwg s ILE 80 CO 0.00 0.55 0.50 0.00 -2.11 0.00 0.00 174.94 173.88 3hwg s ARG 81 N 0.55 1.60 -0.15 3.50 3.03 -0.05 -5.00 118.95 122.42 3hwg s ARG 81 Ca -0.13 -1.26 -0.01 0.00 2.03 0.00 0.00 55.73 56.35 3hwg s ARG 81 Cb -0.17 0.48 -0.02 0.00 -1.03 0.00 0.00 34.95 34.22 3hwg s ARG 81 CO 0.04 -0.67 -0.10 0.99 -1.13 0.00 0.00 175.30 174.43 3hwg s THR 82 N -3.93 3.27 -0.34 4.99 2.01 -1.26 -0.12 115.64 120.26 3hwg s THR 82 Ca 0.22 -0.57 -0.11 0.00 0.31 0.00 0.00 61.69 61.54 3hwg s THR 82 Cb -0.01 -2.41 0.00 0.00 0.01 0.00 0.00 72.50 70.09 3hwg s THR 82 CO 0.09 0.50 0.19 -0.36 -0.69 0.00 0.00 174.62 174.36 3hwg s PHE 83 N 0.52 3.21 -0.04 4.92 2.99 -0.21 -0.09 117.98 129.27 3hwg s PHE 83 Ca -0.07 -0.58 -0.14 0.00 0.00 0.00 0.00 56.93 56.14 3hwg s PHE 83 Cb -0.15 -2.42 -0.05 0.00 0.00 0.00 0.00 43.02 40.40 3hwg s PHE 83 CO 0.04 -0.49 0.36 0.08 -0.00 0.00 0.00 175.22 175.21 3hwg s VAL 84 N 1.63 5.14 0.14 -0.44 1.01 0.84 -0.70 120.40 128.01 3hwg s VAL 84 Ca 0.04 0.73 -0.35 0.00 0.00 0.00 0.00 61.98 62.41 3hwg s VAL 84 Cb -0.18 -3.67 -0.15 0.00 0.00 0.00 0.00 36.38 32.39 3hwg s VAL 84 CO 0.07 0.54 1.52 -2.65 0.00 0.00 0.00 175.10 174.59 3hwg n PRO 85 N 2.18 1.91 0.00 2.72 -0.02 -1.26 -0.38 135.00 140.14 3hwg n PRO 85 Ca -0.14 0.69 0.00 0.00 -2.02 0.00 0.00 63.50 62.03 3hwg n PRO 85 Cb 0.53 -2.43 0.00 0.00 -0.02 0.00 0.00 33.50 31.58 3hwg n PRO 85 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3hwg n GLY 86 N 3.20 0.83 0.22 -1.23 0.00 0.89 -4.69 105.19 104.41 3hwg n GLY 86 Ca 0.17 -1.82 0.06 0.00 0.00 0.00 0.00 46.02 44.44 3hwg n GLY 86 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 3hwg h SER 87 N 0.00 0.00 -4.42 1.61 0.02 -1.94 -3.44 113.55 105.39 3hwg h SER 87 Ca 0.00 0.00 -0.41 0.00 -0.84 0.00 0.00 61.79 60.54 3hwg h SER 87 Cb 0.00 0.00 -0.23 0.00 0.14 0.00 0.00 62.40 62.31 3hwg h SER 87 CO 0.00 0.25 -0.78 -1.10 -1.14 0.00 0.00 176.83 174.06 3hwg s GLN 88 N -4.28 0.83 0.21 3.45 -0.21 -1.26 -5.08 119.66 113.31 3hwg s GLN 88 Ca -0.03 -0.82 -0.32 0.00 0.02 0.00 0.00 55.36 54.21 3hwg s GLN 88 Cb 0.14 -0.82 -0.12 0.00 1.00 0.00 0.00 33.01 33.21 3hwg s GLN 88 CO 0.68 0.19 1.66 -2.30 -2.12 0.00 0.00 175.29 173.40 3hwg n PRO 89 N 1.64 2.61 -0.01 2.91 -0.02 -1.26 -0.93 135.00 139.94 3hwg n PRO 89 Ca -0.20 0.94 0.00 0.00 -2.02 0.00 0.00 63.50 62.22 3hwg n PRO 89 Cb 0.55 -2.76 0.00 0.00 -0.02 0.00 0.00 33.50 31.27 3hwg n PRO 89 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3hwg n GLY 90 N 3.51 0.23 3.70 -1.23 0.00 -1.26 -4.55 105.19 105.59 3hwg n GLY 90 Ca 0.15 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.85 3hwg n GLY 90 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3hwg s GLU 91 N -0.94 2.80 0.02 1.61 2.02 -0.11 -0.85 118.70 123.24 3hwg s GLU 91 Ca 0.00 -0.62 -0.03 0.00 0.02 0.00 0.00 54.97 54.33 3hwg s GLU 91 Cb 0.00 -2.68 -0.01 0.00 0.10 0.00 0.00 34.13 31.54 3hwg s GLU 91 CO 0.00 0.62 0.05 -0.06 0.02 0.00 0.00 175.26 175.88 3hwg s PHE 92 N -1.13 0.18 0.35 1.61 0.40 -0.11 -0.07 117.98 119.20 3hwg s PHE 92 Ca 0.21 -0.39 0.08 0.00 -0.60 0.00 0.00 56.93 56.23 3hwg s PHE 92 Cb -0.12 -0.14 -0.04 0.00 0.51 0.00 0.00 43.02 43.24 3hwg s PHE 92 CO 0.12 -0.25 0.21 0.95 0.70 0.00 0.00 175.22 176.95 3hwg s THR 93 N -1.59 3.08 -0.15 0.64 -4.23 0.48 -0.51 115.64 113.36 3hwg s THR 93 Ca -0.14 -1.56 -0.22 0.00 -1.18 0.00 0.00 61.69 58.59 3hwg s THR 93 Cb -0.08 -3.04 -0.03 0.00 1.34 0.00 0.00 72.50 70.69 3hwg s THR 93 CO -0.01 -0.15 0.65 -0.22 -0.54 0.00 0.00 174.62 174.36 3hwg s LEU 94 N -3.92 4.21 0.39 4.79 2.96 -1.25 -0.11 118.68 125.75 3hwg s LEU 94 Ca 0.40 0.96 -0.25 0.00 -0.22 0.00 0.00 54.13 55.01 3hwg s LEU 94 Cb -0.03 -2.95 -0.09 0.00 0.50 0.00 0.00 46.19 43.62 3hwg s LEU 94 CO 0.24 -0.21 1.15 -0.83 -1.32 0.00 0.00 176.35 175.38 3hwg s GLY 95 N 1.02 2.85 -1.30 7.98 0.00 0.87 -3.80 107.32 114.94 3hwg s GLY 95 Ca 0.32 0.92 -0.00 0.00 0.00 0.00 0.00 44.72 45.95 3hwg s GLY 95 CO 0.13 1.42 0.72 -2.01 0.00 0.00 0.00 173.10 173.36 3hwg n ASN 96 N 0.10 -1.20 0.23 1.64 5.15 -1.26 -4.64 115.26 115.27 3hwg n ASN 96 Ca 0.04 -0.80 0.05 0.00 -0.60 0.00 0.00 54.58 53.27 3hwg n ASN 96 Cb 0.47 -4.14 0.51 0.00 -0.53 0.00 0.00 39.78 36.09 3hwg n ASN 96 CO 0.00 0.00 0.00 -0.29 1.40 0.00 0.00 177.26 178.37 3hwg h ILE 97 N -1.87 1.12 0.00 -1.44 2.10 -1.96 -2.50 117.51 112.96 3hwg h ILE 97 Ca -0.61 -0.60 -0.01 0.00 1.08 0.00 0.00 64.86 64.72 3hwg h ILE 97 Cb 1.36 1.32 -0.00 0.00 -1.09 0.00 0.00 36.82 38.41 3hwg h ILE 97 CO 0.56 0.17 -0.06 0.11 -1.08 0.00 0.00 178.15 177.84 3hwg h LYS 98 N 0.00 0.00 0.00 2.19 1.57 -1.90 -1.52 116.57 116.91 3hwg h LYS 98 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3hwg h LYS 98 Cb 0.31 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.62 3hwg h LYS 98 CO 0.02 0.06 0.00 -1.13 -0.57 0.00 0.00 179.45 177.84 3hwg n SER 99 N -3.72 0.06 -4.49 0.86 3.41 -0.94 -4.63 113.62 104.18 3hwg n SER 99 Ca -0.02 0.51 -0.43 0.00 -0.26 0.00 0.00 58.87 58.67 3hwg n SER 99 Cb 0.17 -0.52 -0.09 0.00 -0.26 0.00 0.00 64.21 63.51 3hwg n SER 99 CO 0.00 0.00 0.00 -0.31 -0.16 0.00 0.00 175.04 174.57 3hwg s TYR 100 N -3.01 3.17 0.11 7.33 1.51 -0.58 -5.04 117.35 120.84 3hwg s TYR 100 Ca 0.12 -0.34 -0.31 0.00 -1.01 0.00 0.00 57.07 55.53 3hwg s TYR 100 Cb 0.16 -2.88 -0.09 0.00 -0.11 0.00 0.00 41.96 39.05 3hwg s TYR 100 CO 0.47 -0.68 1.54 -2.14 -1.11 0.00 0.00 175.55 173.64 3hwg s PRO 101 N 2.14 4.24 0.00 -1.71 0.02 -1.26 -2.36 135.00 136.06 3hwg s PRO 101 Ca 0.12 2.25 0.00 0.00 0.02 0.00 0.00 61.00 63.39 3hwg s PRO 101 Cb -0.17 -3.36 0.00 0.00 0.02 0.00 0.00 34.50 30.99 3hwg s PRO 101 CO 0.13 -0.61 0.00 0.41 -0.33 0.00 0.00 177.00 176.61 3hwg n GLY 102 N 3.77 3.02 3.63 0.52 0.00 -1.26 -4.91 105.19 109.96 3hwg n GLY 102 Ca 0.14 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.73 3hwg n GLY 102 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3hwg s LEU 103 N 0.00 3.98 -0.01 0.99 2.96 -0.99 -1.40 118.68 124.20 3hwg s LEU 103 Ca 0.00 0.91 0.13 0.00 -0.22 0.00 0.00 54.13 54.94 3hwg s LEU 103 Cb 0.00 -3.40 -0.17 0.00 0.50 0.00 0.00 46.19 43.12 3hwg s LEU 103 CO 0.00 -0.82 0.40 0.35 -1.32 0.00 0.00 176.35 174.96 3hwg n THR 104 N 5.81 0.00 -3.69 3.68 -2.24 -0.34 -4.76 114.28 112.73 3hwg n THR 104 Ca 0.10 -0.25 -0.14 0.00 -2.27 0.00 0.00 64.05 61.48 3hwg n THR 104 Cb 0.47 0.59 -0.09 0.00 -2.10 0.00 0.00 70.33 69.21 3hwg n THR 104 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 3hwg s SER 105 N -2.86 -0.42 -0.23 3.42 0.15 -1.18 -4.95 113.70 107.62 3hwg s SER 105 Ca -0.00 0.63 -0.08 0.00 0.70 0.00 0.00 55.95 57.20 3hwg s SER 105 Cb 0.09 0.68 0.10 0.00 -1.71 0.00 0.00 66.02 65.18 3hwg s SER 105 CO 0.53 -0.33 0.51 -0.47 1.20 0.00 0.00 173.24 174.67 3hwg s TYR 106 N -0.51 -0.99 -0.02 3.44 6.14 -1.26 -1.33 117.35 122.82 3hwg s TYR 106 Ca -0.06 1.82 0.04 0.00 0.64 0.00 0.00 57.07 59.50 3hwg s TYR 106 Cb -0.03 0.49 -0.01 0.00 0.42 0.00 0.00 41.96 42.83 3hwg s TYR 106 CO 0.03 -0.54 -0.14 -1.17 0.64 0.00 0.00 175.55 174.37 3hwg s LEU 107 N 2.64 1.95 -0.06 6.97 2.96 0.14 -3.76 118.68 129.52 3hwg s LEU 107 Ca -0.04 -0.27 0.05 0.00 -0.22 0.00 0.00 54.13 53.66 3hwg s LEU 107 Cb -0.12 -0.77 -0.01 0.00 0.50 0.00 0.00 46.19 45.79 3hwg s LEU 107 CO -0.15 0.15 -0.23 -0.69 -1.32 0.00 0.00 176.35 174.11 3hwg s VAL 108 N -0.14 2.26 -0.10 1.68 1.01 0.33 -0.64 120.40 124.80 3hwg s VAL 108 Ca 0.02 -0.99 -0.02 0.00 0.00 0.00 0.00 61.98 60.98 3hwg s VAL 108 Cb -0.08 -1.84 0.04 0.00 0.00 0.00 0.00 36.38 34.51 3hwg s VAL 108 CO 0.00 0.57 0.04 -0.60 0.00 0.00 0.00 175.10 175.11 3hwg s ARG 109 N -0.22 0.36 -0.26 2.72 3.52 0.83 -0.93 118.95 124.97 3hwg s ARG 109 Ca -0.02 0.06 -0.29 0.00 -0.13 0.00 0.00 55.73 55.35 3hwg s ARG 109 Cb -0.13 -1.17 -0.01 0.00 -1.56 0.00 0.00 34.95 32.08 3hwg s ARG 109 CO 0.03 -0.42 1.35 0.08 -0.81 0.00 0.00 175.30 175.53 3hwg s VAL 110 N 2.03 4.09 -0.13 7.11 1.01 -0.03 0.16 120.40 134.63 3hwg s VAL 110 Ca 0.04 1.25 -0.21 0.00 0.00 0.00 0.00 61.98 63.05 3hwg s VAL 110 Cb -0.14 -4.05 -0.19 0.00 0.00 0.00 0.00 36.38 32.01 3hwg s VAL 110 CO -0.06 -0.38 0.57 0.58 0.00 0.00 0.00 175.10 175.82 3hwg h VAL 111 N 5.90 1.31 -2.46 2.92 2.07 -0.50 0.79 116.25 126.28 3hwg h VAL 111 Ca -0.27 -1.97 -0.09 0.00 0.82 0.00 0.00 66.70 65.19 3hwg h VAL 111 Cb 1.11 2.47 -0.20 0.00 -1.52 0.00 0.00 31.29 33.15 3hwg h VAL 111 CO 1.02 0.44 -0.02 -0.94 0.02 0.00 0.00 177.57 178.09 3hwg s SER 112 N -6.03 -0.46 -0.11 0.57 1.04 -1.03 -2.20 113.70 105.47 3hwg s SER 112 Ca -0.14 0.49 -0.30 0.00 0.48 0.00 0.00 55.95 56.48 3hwg s SER 112 Cb -0.02 0.49 0.09 0.00 0.10 0.00 0.00 66.02 66.69 3hwg s SER 112 CO 0.51 -0.51 0.82 0.28 0.98 0.00 0.00 173.24 175.31 3hwg s THR 113 N -1.13 0.00 -1.06 2.02 -1.32 -1.26 0.39 115.64 113.28 3hwg s THR 113 Ca -0.11 0.00 0.12 0.00 -1.21 0.00 0.00 61.69 60.48 3hwg s THR 113 Cb -0.02 -1.00 0.30 0.00 -1.51 0.00 0.00 72.50 70.27 3hwg s THR 113 CO 0.07 0.00 1.23 -0.46 -2.21 0.00 0.00 174.62 173.25 3hwg n ASN 114 N 0.99 2.89 0.00 8.08 6.94 -0.93 -5.01 115.26 128.21 3hwg n ASN 114 Ca -0.15 -1.94 0.00 0.00 -0.02 0.00 0.00 54.58 52.47 3hwg n ASN 114 Cb 0.57 -0.22 0.00 0.00 -2.36 0.00 0.00 39.78 37.77 3hwg n ASN 114 CO 0.00 0.00 0.00 -1.22 -1.03 0.00 0.00 177.26 175.01 3hwg n TYR 115 N 0.61 0.00 0.86 -2.53 4.01 -1.25 -4.43 117.16 114.43 3hwg n TYR 115 Ca 0.12 0.00 0.09 0.00 -0.16 0.00 0.00 57.90 57.95 3hwg n TYR 115 Cb 0.42 0.00 -0.04 0.00 -0.31 0.00 0.00 39.34 39.41 3hwg n TYR 115 CO 0.00 0.00 0.00 0.09 -0.46 0.00 0.00 176.86 176.49 3hwg n ASN 116 N 1.28 1.46 0.05 7.72 3.02 -1.26 -4.80 115.26 122.73 3hwg n ASN 116 Ca 0.00 -1.23 0.00 0.00 -0.03 0.00 0.00 54.58 53.32 3hwg n ASN 116 Cb 0.00 0.67 0.00 0.00 -0.61 0.00 0.00 39.78 39.84 3hwg n ASN 116 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3hwg n GLN 117 N -0.59 0.00 -3.93 3.52 6.02 -1.26 -4.78 117.38 116.36 3hwg n GLN 117 Ca 0.06 0.00 -0.08 0.00 -0.01 0.00 0.00 57.00 56.97 3hwg n GLN 117 Cb 0.36 -0.16 -0.08 0.00 1.02 0.00 0.00 30.24 31.38 3hwg n GLN 117 CO 0.00 0.00 0.00 -3.38 -1.01 0.00 0.00 177.06 172.67 3hwg s HIS 118 N -2.00 0.26 0.03 1.08 -3.43 -1.26 -1.44 115.29 108.52 3hwg s HIS 118 Ca 0.00 -0.72 -0.18 0.00 -0.80 0.00 0.00 55.06 53.36 3hwg s HIS 118 Cb 0.00 -0.16 0.03 0.00 -1.43 0.00 0.00 32.58 31.03 3hwg s HIS 118 CO 0.00 -0.50 0.39 0.00 -2.00 0.00 0.00 174.74 172.64 3hwg s ALA 119 N -3.87 -0.96 -0.10 -1.38 0.00 -0.48 -2.19 121.76 112.78 3hwg s ALA 119 Ca 0.05 0.33 0.01 0.00 0.00 0.00 0.00 51.96 52.36 3hwg s ALA 119 Cb 0.06 0.26 0.02 0.00 0.00 0.00 0.00 23.12 23.46 3hwg s ALA 119 CO -0.11 -0.40 -0.13 1.41 0.00 0.00 0.00 175.76 176.53 3hwg s MET 120 N -2.17 1.98 -0.05 0.00 1.75 0.16 0.54 119.30 121.51 3hwg s MET 120 Ca -0.07 -0.47 0.03 0.00 -1.25 0.00 0.00 55.69 53.93 3hwg s MET 120 Cb -0.02 -1.74 0.01 0.00 2.84 0.00 0.00 34.83 35.92 3hwg s MET 120 CO -0.00 -0.09 -0.13 0.08 -0.65 0.00 0.00 175.02 174.23 3hwg s VAL 121 N 1.09 1.10 -0.16 10.11 1.01 -0.20 0.08 120.40 133.42 3hwg s VAL 121 Ca -0.05 -0.51 -0.08 0.00 0.00 0.00 0.00 61.98 61.34 3hwg s VAL 121 Cb -0.14 -0.98 -0.04 0.00 0.00 0.00 0.00 36.38 35.21 3hwg s VAL 121 CO -0.02 0.34 0.10 0.12 0.00 0.00 0.00 175.10 175.63 3hwg s PHE 122 N 0.33 3.38 -0.01 5.22 2.19 0.12 -0.06 117.98 129.15 3hwg s PHE 122 Ca -0.08 0.28 0.06 0.00 0.33 0.00 0.00 56.93 57.53 3hwg s PHE 122 Cb -0.12 -2.04 -0.02 0.00 -1.31 0.00 0.00 43.02 39.53 3hwg s PHE 122 CO 0.02 0.37 -0.21 -0.06 1.83 0.00 0.00 175.22 177.18 3hwg s PHE 123 N -0.10 1.84 -0.02 10.12 0.08 0.67 -0.12 117.98 130.45 3hwg s PHE 123 Ca 0.09 -0.35 -0.00 0.00 0.12 0.00 0.00 56.93 56.78 3hwg s PHE 123 Cb -0.12 -1.18 0.03 0.00 -0.57 0.00 0.00 43.02 41.18 3hwg s PHE 123 CO 0.01 -0.03 0.04 0.21 -0.10 0.00 0.00 175.22 175.35 3hwg s LYS 124 N -0.52 -0.04 0.04 0.44 2.20 0.19 -0.91 119.74 121.15 3hwg s LYS 124 Ca 0.08 0.23 0.03 0.00 -0.36 0.00 0.00 55.97 55.94 3hwg s LYS 124 Cb -0.08 -0.31 -0.02 0.00 -1.51 0.00 0.00 37.83 35.91 3hwg s LYS 124 CO -0.01 -0.20 -0.09 -1.59 -0.36 0.00 0.00 175.35 173.10 3hwg s LYS 125 N 1.31 0.57 -0.30 4.03 -2.85 0.21 0.27 119.74 122.98 3hwg s LYS 125 Ca -0.06 -0.75 -0.04 0.00 -1.00 0.00 0.00 55.97 54.12 3hwg s LYS 125 Cb -0.13 -0.39 0.04 0.00 -2.06 0.00 0.00 37.83 35.29 3hwg s LYS 125 CO -0.03 0.08 0.03 0.08 0.10 0.00 0.00 175.35 175.61 3hwg s VAL 126 N -1.27 3.35 -0.10 1.79 1.01 -0.44 -0.33 120.40 124.40 3hwg s VAL 126 Ca -0.08 -1.14 0.03 0.00 0.00 0.00 0.00 61.98 60.79 3hwg s VAL 126 Cb -0.09 -2.84 0.01 0.00 0.00 0.00 0.00 36.38 33.45 3hwg s VAL 126 CO 0.01 -0.04 -0.19 -0.55 0.00 0.00 0.00 175.10 174.33 3hwg s SER 127 N 1.35 2.66 -1.52 3.32 0.15 -0.53 -1.20 113.70 117.93 3hwg s SER 127 Ca -0.02 -0.48 -0.10 0.00 0.70 0.00 0.00 55.95 56.05 3hwg s SER 127 Cb -0.19 -1.21 0.08 0.00 -1.71 0.00 0.00 66.02 62.98 3hwg s SER 127 CO -0.00 0.08 0.77 0.00 1.20 0.00 0.00 173.24 175.28 3hwg n GLN 128 N 3.89 -4.29 -1.77 5.44 1.13 -0.50 -1.23 117.38 120.05 3hwg n GLN 128 Ca -0.20 0.50 -0.17 0.00 -1.94 0.00 0.00 57.00 55.19 3hwg n GLN 128 Cb 0.52 -5.13 -0.05 0.00 0.11 0.00 0.00 30.24 25.69 3hwg n GLN 128 CO 0.00 0.00 0.00 0.09 -1.44 0.00 0.00 177.06 175.71 3hwg n ASN 129 N -2.85 -4.61 -4.42 1.08 4.13 -1.26 -4.97 115.26 102.35 3hwg n ASN 129 Ca -0.07 0.32 -0.33 0.00 1.68 0.00 0.00 54.58 56.17 3hwg n ASN 129 Cb 0.57 -4.07 -0.14 0.00 -1.54 0.00 0.00 39.78 34.60 3hwg n ASN 129 CO 0.00 0.00 0.00 -0.13 0.28 0.00 0.00 177.26 177.41 3hwg s ARG 130 N -3.91 3.36 -0.49 3.52 0.52 -0.37 -5.09 118.95 116.49 3hwg s ARG 130 Ca 0.00 -0.64 -0.19 0.00 -0.52 0.00 0.00 55.73 54.38 3hwg s ARG 130 Cb 0.00 -2.68 0.05 0.00 0.52 0.00 0.00 34.95 32.84 3hwg s ARG 130 CO 0.00 0.28 0.62 -2.00 0.02 0.00 0.00 175.30 174.21 3hwg s GLU 131 N 0.21 3.14 -0.03 3.54 2.12 -1.26 -1.45 118.70 124.97 3hwg s GLU 131 Ca -0.06 -0.80 -0.03 0.00 0.36 0.00 0.00 54.97 54.43 3hwg s GLU 131 Cb -0.15 -4.06 -0.04 0.00 0.26 0.00 0.00 34.13 30.14 3hwg s GLU 131 CO 0.04 -1.16 0.17 0.71 -0.54 0.00 0.00 175.26 174.49 3hwg s TYR 132 N 2.63 3.56 0.03 5.30 1.51 0.55 -4.62 117.35 126.32 3hwg s TYR 132 Ca 0.16 0.39 -0.00 0.00 -1.01 0.00 0.00 57.07 56.61 3hwg s TYR 132 Cb -0.18 -1.85 -0.03 0.00 -0.11 0.00 0.00 41.96 39.79 3hwg s TYR 132 CO 0.13 0.66 -0.03 -0.59 -1.11 0.00 0.00 175.55 174.61 3hwg s PHE 133 N -1.27 0.39 0.04 2.71 -0.71 -1.26 -0.62 117.98 117.26 3hwg s PHE 133 Ca 0.25 -0.70 -0.08 0.00 -1.04 0.00 0.00 56.93 55.36 3hwg s PHE 133 Cb -0.12 -0.28 -0.00 0.00 -1.21 0.00 0.00 43.02 41.41 3hwg s PHE 133 CO 0.16 -0.24 0.17 -1.59 -1.34 0.00 0.00 175.22 172.38 3hwg s LYS 134 N -2.27 0.66 -0.05 1.99 -2.85 -0.09 -2.21 119.74 114.93 3hwg s LYS 134 Ca -0.08 -0.66 0.06 0.00 -1.00 0.00 0.00 55.97 54.29 3hwg s LYS 134 Cb -0.04 0.27 -0.01 0.00 -2.06 0.00 0.00 37.83 35.98 3hwg s LYS 134 CO -0.04 -0.18 -0.24 0.42 0.10 0.00 0.00 175.35 175.41 3hwg s ILE 135 N -2.57 2.15 -0.07 3.79 1.09 0.22 -0.24 121.20 125.57 3hwg s ILE 135 Ca -0.05 -1.05 0.05 0.00 -1.10 0.00 0.00 60.65 58.50 3hwg s ILE 135 Cb -0.01 -1.77 -0.01 0.00 -1.06 0.00 0.00 42.46 39.61 3hwg s ILE 135 CO -0.04 0.57 -0.22 0.28 -0.10 0.00 0.00 174.94 175.44 3hwg s THR 136 N -0.34 2.34 -0.35 2.92 -1.32 0.92 -1.29 115.64 118.51 3hwg s THR 136 Ca 0.02 -0.96 -0.07 0.00 -1.21 0.00 0.00 61.69 59.47 3hwg s THR 136 Cb -0.12 -1.88 0.04 0.00 -1.51 0.00 0.00 72.50 69.03 3hwg s THR 136 CO 0.02 0.57 0.13 -0.22 -2.21 0.00 0.00 174.62 172.91 3hwg s LEU 137 N -0.14 4.46 -0.05 9.08 0.20 0.35 -1.03 118.68 131.54 3hwg s LEU 137 Ca -0.03 -1.18 -0.12 0.00 0.69 0.00 0.00 54.13 53.49 3hwg s LEU 137 Cb -0.14 -1.90 -0.05 0.00 -0.43 0.00 0.00 46.19 43.68 3hwg s LEU 137 CO 0.04 -0.36 0.31 -0.31 -0.29 0.00 0.00 176.35 175.74 3hwg s TYR 138 N 1.41 3.67 0.02 5.38 2.02 0.19 -1.16 117.35 128.88 3hwg s TYR 138 Ca -0.01 0.81 0.05 0.00 -0.37 0.00 0.00 57.07 57.55 3hwg s TYR 138 Cb -0.20 -2.16 -0.02 0.00 -0.40 0.00 0.00 41.96 39.18 3hwg s TYR 138 CO 0.03 0.66 -0.15 0.20 -1.57 0.00 0.00 175.55 174.72 3hwg s GLY 139 N -1.00 0.79 0.42 0.71 0.00 0.28 -1.38 107.32 107.15 3hwg s GLY 139 Ca 0.20 -0.77 0.25 0.00 0.00 0.00 0.00 44.72 44.40 3hwg s GLY 139 CO 0.10 -0.71 1.71 3.21 0.00 0.00 0.00 173.10 177.40 3hwg h ARG 140 N 5.25 0.00 -5.84 2.90 3.08 -1.53 0.59 114.38 118.83 3hwg h ARG 140 Ca -0.37 0.00 -0.58 0.00 0.07 0.00 0.00 59.98 59.10 3hwg h ARG 140 Cb 1.17 0.00 -0.08 0.00 0.08 0.00 0.00 29.97 31.14 3hwg h ARG 140 CO 0.46 0.00 -0.45 0.95 -1.07 0.00 0.00 179.97 179.85 3hwg s THR 141 N -3.29 2.07 -1.07 2.04 -4.23 -1.26 -4.78 115.64 105.12 3hwg s THR 141 Ca 0.06 -1.67 0.23 0.00 -1.18 0.00 0.00 61.69 59.13 3hwg s THR 141 Cb 0.07 -2.74 0.23 0.00 1.34 0.00 0.00 72.50 71.40 3hwg s THR 141 CO 0.63 0.00 1.74 0.29 -0.54 0.00 0.00 174.62 176.74 3hwg n LYS 142 N -1.36 0.06 -4.76 3.99 5.02 -1.26 -4.63 118.16 115.21 3hwg n LYS 142 Ca -0.03 0.10 -0.28 0.00 -2.02 0.00 0.00 58.31 56.08 3hwg n LYS 142 Cb 0.65 -1.50 -0.14 0.00 -0.02 0.00 0.00 35.03 34.01 3hwg n LYS 142 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 3hwg s GLU 143 N -2.93 1.62 0.14 1.97 8.01 -1.26 -4.86 118.70 121.39 3hwg s GLU 143 Ca 0.13 -1.08 0.02 0.00 0.01 0.00 0.00 54.97 54.05 3hwg s GLU 143 Cb 0.15 -1.80 -0.04 0.00 -4.31 0.00 0.00 34.13 28.12 3hwg s GLU 143 CO 0.41 0.46 -0.03 -0.51 0.01 0.00 0.00 175.26 175.60 3hwg s LEU 144 N -1.31 2.29 0.76 1.80 1.43 -1.26 -4.89 118.68 117.49 3hwg s LEU 144 Ca 0.10 -1.10 -0.12 0.00 -1.03 0.00 0.00 54.13 51.98 3hwg s LEU 144 Cb -0.10 -0.09 0.05 0.00 0.03 0.00 0.00 46.19 46.09 3hwg s LEU 144 CO 0.02 -0.51 1.12 0.42 0.23 0.00 0.00 176.35 177.63 3hwg s THR 145 N -3.61 2.98 0.36 5.49 -4.23 -1.26 -4.86 115.64 110.50 3hwg s THR 145 Ca 0.19 0.37 0.04 0.00 -1.18 0.00 0.00 61.69 61.12 3hwg s THR 145 Cb 0.05 -2.80 0.28 0.00 1.34 0.00 0.00 72.50 71.37 3hwg s THR 145 CO 0.01 -0.36 1.97 0.28 -0.54 0.00 0.00 174.62 175.98 3hwg h SER 146 N -0.82 0.70 -0.16 3.99 0.02 -2.01 -2.09 113.55 113.17 3hwg h SER 146 Ca -0.45 -0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.50 3hwg h SER 146 Cb 1.25 -0.16 -0.01 0.00 0.14 0.00 0.00 62.40 63.62 3hwg h SER 146 CO 0.50 0.47 0.09 -0.08 -1.14 0.00 0.00 176.83 176.68 3hwg h GLU 147 N 0.80 0.19 -0.51 3.45 4.81 -1.99 0.34 114.58 121.68 3hwg h GLU 147 Ca 0.29 -0.01 -0.05 0.00 -0.13 0.00 0.00 59.36 59.46 3hwg h GLU 147 Cb 0.14 -0.04 -0.02 0.00 0.63 0.00 0.00 28.75 29.46 3hwg h GLU 147 CO -0.09 0.13 0.12 -0.07 -0.73 0.00 0.00 179.01 178.36 3hwg h LEU 148 N 0.20 0.78 -0.36 1.64 3.38 -1.86 -1.24 115.31 117.86 3hwg h LEU 148 Ca 0.06 -0.24 -0.01 0.00 0.09 0.00 0.00 57.88 57.78 3hwg h LEU 148 Cb -0.01 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.52 3hwg h LEU 148 CO -0.02 0.82 0.17 0.11 0.09 0.00 0.00 178.44 179.60 3hwg h LYS 149 N 0.71 0.52 -0.64 1.13 1.57 -1.22 -1.44 116.57 117.20 3hwg h LYS 149 Ca 0.16 -0.08 -0.04 0.00 -1.87 0.00 0.00 60.65 58.81 3hwg h LYS 149 Cb 0.35 -0.09 -0.03 0.00 0.08 0.00 0.00 32.23 32.54 3hwg h LYS 149 CO 0.00 0.48 0.22 0.93 -0.57 0.00 0.00 179.45 180.51 3hwg h GLU 150 N 0.44 0.96 -0.84 3.15 4.39 -0.82 -0.60 114.58 121.26 3hwg h GLU 150 Ca 0.12 -0.18 -0.02 0.00 0.34 0.00 0.00 59.36 59.63 3hwg h GLU 150 Cb 0.13 -0.16 -0.04 0.00 -0.10 0.00 0.00 28.75 28.59 3hwg h GLU 150 CO -0.01 0.81 0.46 -0.97 -1.16 0.00 0.00 179.01 178.13 3hwg h ASN 151 N 0.94 1.06 -0.59 1.42 -1.24 -1.00 -0.15 115.58 116.03 3hwg h ASN 151 Ca 0.21 -0.10 -0.06 0.00 0.71 0.00 0.00 56.30 57.06 3hwg h ASN 151 Cb 0.23 -0.27 -0.02 0.00 0.73 0.00 0.00 38.32 38.99 3hwg h ASN 151 CO -0.01 0.86 0.13 0.15 -1.29 0.00 0.00 177.43 177.27 3hwg h PHE 152 N 1.18 1.00 -0.30 0.67 3.04 -0.63 0.81 116.94 122.71 3hwg h PHE 152 Ca 0.30 -0.13 -0.01 0.00 3.98 0.00 0.00 57.97 62.11 3hwg h PHE 152 Cb 0.04 -0.28 -0.01 0.00 2.56 0.00 0.00 35.95 38.26 3hwg h PHE 152 CO 0.01 0.86 0.14 0.82 -2.02 0.00 0.00 178.31 178.11 3hwg h ILE 153 N 0.86 1.17 -0.39 1.41 2.04 -0.92 0.21 117.51 121.88 3hwg h ILE 153 Ca 0.18 -0.49 0.04 0.00 1.00 0.00 0.00 64.86 65.59 3hwg h ILE 153 Cb 0.37 0.93 -0.04 0.00 -0.74 0.00 0.00 36.82 37.34 3hwg h ILE 153 CO 0.00 0.17 0.15 0.03 0.00 0.00 0.00 178.15 178.51 3hwg h ARG 154 N 0.35 0.30 -0.36 2.37 3.08 -0.77 -0.62 114.38 118.74 3hwg h ARG 154 Ca 0.10 -0.02 -0.04 0.00 0.07 0.00 0.00 59.98 60.09 3hwg h ARG 154 Cb 0.15 -0.07 -0.01 0.00 0.08 0.00 0.00 29.97 30.12 3hwg h ARG 154 CO -0.01 0.20 0.06 0.35 -1.07 0.00 0.00 179.97 179.50 3hwg h PHE 155 N 0.31 0.63 -0.45 3.04 3.57 -0.71 -1.77 116.94 121.56 3hwg h PHE 155 Ca 0.17 -0.09 0.02 0.00 3.53 0.00 0.00 57.97 61.61 3hwg h PHE 155 Cb 0.14 -0.17 -0.03 0.00 2.79 0.00 0.00 35.95 38.68 3hwg h PHE 155 CO -0.14 0.64 0.26 0.77 -2.23 0.00 0.00 178.31 177.61 3hwg h SER 156 N 0.43 0.41 -0.55 0.41 0.02 -0.71 -2.08 113.55 111.48 3hwg h SER 156 Ca 0.11 0.01 -0.02 0.00 -0.84 0.00 0.00 61.79 61.05 3hwg h SER 156 Cb 0.35 -0.08 -0.03 0.00 0.14 0.00 0.00 62.40 62.79 3hwg h SER 156 CO 0.01 0.29 0.29 0.11 -1.14 0.00 0.00 176.83 176.39 3hwg h LYS 157 N 0.52 0.80 0.00 3.45 1.57 -1.02 -2.09 116.57 119.79 3hwg h LYS 157 Ca 0.18 -0.09 -0.00 0.00 -1.87 0.00 0.00 60.65 58.87 3hwg h LYS 157 Cb 0.03 -0.16 -0.00 0.00 0.08 0.00 0.00 32.23 32.19 3hwg h LYS 157 CO -0.09 0.61 -0.01 0.66 -0.57 0.00 0.00 179.45 180.04 3hwg h SER 158 N 0.80 0.00 -0.30 0.86 4.64 -0.63 -0.49 113.55 118.43 3hwg h SER 158 Ca 0.20 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.52 3hwg h SER 158 Cb 0.06 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.15 3hwg h SER 158 CO -0.03 0.01 0.00 0.18 -0.87 0.00 0.00 176.83 176.12 3hwg n LEU 159 N -3.12 2.07 0.00 5.97 4.77 -0.81 -4.93 117.00 120.94 3hwg n LEU 159 Ca -0.01 -0.95 0.00 0.00 -0.03 0.00 0.00 56.01 55.02 3hwg n LEU 159 Cb 0.22 -0.20 0.00 0.00 -2.33 0.00 0.00 43.42 41.11 3hwg n LEU 159 CO 0.25 0.47 0.00 0.61 -1.33 0.00 0.00 177.39 177.39 3hwg n GLY 160 N 1.17 0.74 3.70 -0.72 0.00 -0.19 -4.53 105.19 105.36 3hwg n GLY 160 Ca 0.15 -0.34 -0.37 0.00 0.00 0.00 0.00 46.02 45.46 3hwg n GLY 160 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3hwg s LEU 161 N 0.00 4.21 0.76 0.99 1.43 -1.07 -4.98 118.68 120.03 3hwg s LEU 161 Ca 0.00 0.52 -0.12 0.00 -1.03 0.00 0.00 54.13 53.50 3hwg s LEU 161 Cb 0.00 -2.44 0.05 0.00 0.03 0.00 0.00 46.19 43.83 3hwg s LEU 161 CO 0.00 0.02 1.11 -2.16 0.23 0.00 0.00 176.35 175.55 3hwg s PRO 162 N 0.83 2.36 0.41 1.29 0.04 -1.26 -3.92 135.00 134.75 3hwg s PRO 162 Ca 0.18 0.49 0.13 0.00 0.04 0.00 0.00 61.00 61.84 3hwg s PRO 162 Cb -0.14 -1.96 0.98 0.00 0.04 0.00 0.00 34.50 33.42 3hwg s PRO 162 CO 0.06 -1.39 1.92 0.93 0.04 0.00 0.00 177.00 178.56 3hwg h GLU 163 N -0.92 0.48 0.00 4.56 4.39 -1.98 -0.29 114.58 120.81 3hwg h GLU 163 Ca -0.46 -0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.21 3hwg h GLU 163 Cb 1.27 -0.11 0.00 0.00 -0.10 0.00 0.00 28.75 29.81 3hwg h GLU 163 CO 0.62 0.32 0.00 0.27 -1.16 0.00 0.00 179.01 179.06 3hwg n ASN 164 N -4.49 0.06 -1.41 1.42 6.94 -1.26 -1.50 115.26 115.02 3hwg n ASN 164 Ca 0.14 0.51 0.10 0.00 -0.02 0.00 0.00 54.58 55.32 3hwg n ASN 164 Cb 0.47 -0.53 0.33 0.00 -2.36 0.00 0.00 39.78 37.69 3hwg n ASN 164 CO 0.00 0.00 0.00 1.41 -1.03 0.00 0.00 177.26 177.64 3hwg n HIS 165 N -1.57 1.18 -4.11 -2.53 8.25 -0.12 -0.89 115.22 115.43 3hwg n HIS 165 Ca 0.03 -0.56 -0.33 0.00 -0.26 0.00 0.00 57.72 56.61 3hwg n HIS 165 Cb 0.18 -0.12 -0.16 0.00 1.12 0.00 0.00 29.99 31.01 3hwg n HIS 165 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 3hwg s ILE 166 N -1.42 2.09 0.04 1.59 1.01 -0.56 -2.30 121.20 121.64 3hwg s ILE 166 Ca 0.48 -1.00 0.07 0.00 0.00 0.00 0.00 60.65 60.20 3hwg s ILE 166 Cb 0.28 -1.91 -0.02 0.00 0.01 0.00 0.00 42.46 40.82 3hwg s ILE 166 CO 0.28 0.48 -0.21 -0.69 0.00 0.00 0.00 174.94 174.80 3hwg s VAL 167 N 1.27 1.67 -0.45 2.92 1.01 0.17 -4.87 120.40 122.12 3hwg s VAL 167 Ca 0.04 -1.19 0.02 0.00 0.00 0.00 0.00 61.98 60.85 3hwg s VAL 167 Cb -0.14 -1.45 0.12 0.00 0.00 0.00 0.00 36.38 34.91 3hwg s VAL 167 CO -0.12 0.22 0.20 -0.36 0.00 0.00 0.00 175.10 175.04 3hwg s PHE 168 N -0.79 3.49 0.24 5.22 0.40 -1.26 -0.24 117.98 125.04 3hwg s PHE 168 Ca 0.07 -2.94 -0.31 0.00 -0.60 0.00 0.00 56.93 53.16 3hwg s PHE 168 Cb -0.09 -2.97 -0.14 0.00 0.51 0.00 0.00 43.02 40.33 3hwg s PHE 168 CO 0.02 -0.87 1.33 -2.30 0.70 0.00 0.00 175.22 174.11 3hwg n PRO 169 N 3.80 1.88 -2.32 0.24 -0.02 -1.25 -4.92 135.00 132.41 3hwg n PRO 169 Ca 0.04 0.67 -0.42 0.00 -2.02 0.00 0.00 63.50 61.77 3hwg n PRO 169 Cb 0.38 -2.27 -0.03 0.00 -0.02 0.00 0.00 33.50 31.55 3hwg n PRO 169 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 3hwg s VAL 170 N -0.25 3.78 0.34 -1.45 0.11 -0.27 -4.39 120.40 118.27 3hwg s VAL 170 Ca 0.67 1.26 -0.29 0.00 -2.93 0.00 0.00 61.98 60.69 3hwg s VAL 170 Cb -0.67 -3.81 -0.12 0.00 -1.53 0.00 0.00 36.38 30.25 3hwg s VAL 170 CO 0.52 0.08 1.45 -2.65 -3.33 0.00 0.00 175.10 171.16 3hwg n PRO 171 N 4.22 2.46 -4.27 1.54 -0.02 -1.26 -0.34 135.00 137.33 3hwg n PRO 171 Ca 0.10 0.87 -0.15 0.00 -2.02 0.00 0.00 63.50 62.30 3hwg n PRO 171 Cb 0.45 -2.56 -0.10 0.00 -0.02 0.00 0.00 33.50 31.27 3hwg n PRO 171 CO 0.00 0.00 0.00 0.96 1.98 0.00 0.00 175.50 178.44 3hwg s ILE 172 N -0.78 0.49 -0.08 4.25 -4.36 -1.26 -4.86 121.20 114.60 3hwg s ILE 172 Ca 0.57 -1.99 0.15 0.00 -0.26 0.00 0.00 60.65 59.13 3hwg s ILE 172 Cb -0.52 -2.44 -0.23 0.00 1.25 0.00 0.00 42.46 40.51 3hwg s ILE 172 CO 0.59 -0.16 0.23 0.47 0.24 0.00 0.00 174.94 176.31 3hwg n ASP 173 N -0.36 1.19 -4.74 4.36 10.43 -1.26 -4.85 116.55 121.32 3hwg n ASP 173 Ca -0.02 0.00 -0.41 0.00 2.57 0.00 0.00 54.79 56.93 3hwg n ASP 173 Cb 0.65 1.37 -0.03 0.00 1.84 0.00 0.00 41.12 44.95 3hwg n ASP 173 CO 0.00 0.00 0.00 -1.10 -1.07 0.00 0.00 177.20 175.03 3hwg s GLN 174 N -2.81 4.36 0.00 -1.24 1.11 -1.26 -4.08 119.66 115.75 3hwg s GLN 174 Ca -0.07 2.11 0.00 0.00 0.01 0.00 0.00 55.36 57.41 3hwg s GLN 174 Cb 0.08 -3.17 0.00 0.00 -1.01 0.00 0.00 33.01 28.91 3hwg s GLN 174 CO 0.67 -0.28 0.00 0.00 0.01 0.00 0.00 175.29 175.68 3hwg h ILE 176 N 0.00 0.00 -0.03 0.00 3.07 -1.84 -3.49 117.51 115.22 3hwg h ILE 176 Ca 0.00 -0.41 0.00 0.00 1.55 0.00 0.00 64.86 66.00 3hwg h ILE 176 Cb 0.00 1.28 0.00 0.00 -0.27 0.00 0.00 36.82 37.83 3hwg h ILE 176 CO 0.00 0.00 0.00 0.47 -1.05 0.00 0.00 178.15 177.57