#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hwg s ASP 6 N 0.00 2.29 -0.11 -3.46 1.11 -1.26 -5.14 116.67 110.10 3hwg s ASP 6 Ca 0.00 -0.36 -0.10 0.00 0.18 0.00 0.00 52.55 52.27 3hwg s ASP 6 Cb 0.00 -0.25 0.03 0.00 1.07 0.00 0.00 42.92 43.77 3hwg s ASP 6 CO 0.00 0.23 0.28 -0.76 1.18 0.00 0.00 175.17 176.11 3hwg s LEU 7 N -0.50 0.91 0.11 1.23 1.43 -1.26 -5.09 118.68 115.51 3hwg s LEU 7 Ca 0.07 0.57 -0.31 0.00 -1.03 0.00 0.00 54.13 53.44 3hwg s LEU 7 Cb -0.08 0.97 -0.08 0.00 0.03 0.00 0.00 46.19 47.04 3hwg s LEU 7 CO -0.01 -0.10 1.36 -0.63 0.23 0.00 0.00 176.35 177.20 3hwg s ILE 8 N 0.17 3.40 0.51 -0.59 1.01 -1.26 -4.95 121.20 119.49 3hwg s ILE 8 Ca -0.00 1.01 -0.23 0.00 0.00 0.00 0.00 60.65 61.43 3hwg s ILE 8 Cb -0.02 -3.65 -0.06 0.00 0.01 0.00 0.00 42.46 38.74 3hwg s ILE 8 CO 0.00 0.08 1.33 -2.84 0.00 0.00 0.00 174.94 173.52 3hwg s PRO 9 N 1.03 3.37 0.26 2.79 0.02 -1.26 -4.86 135.00 136.35 3hwg s PRO 9 Ca 0.63 2.18 -0.30 0.00 0.02 0.00 0.00 61.00 63.54 3hwg s PRO 9 Cb -0.36 -2.37 -0.10 0.00 0.02 0.00 0.00 34.50 31.69 3hwg s PRO 9 CO 0.30 -0.99 1.32 0.00 -0.33 0.00 0.00 177.00 177.31 3hwg s ALA 10 N -1.32 3.53 0.63 -1.55 0.00 -1.26 -4.94 121.76 116.84 3hwg s ALA 10 Ca 0.68 1.19 -0.14 0.00 0.00 0.00 0.00 51.96 53.69 3hwg s ALA 10 Cb -0.39 -3.48 -0.02 0.00 0.00 0.00 0.00 23.12 19.23 3hwg s ALA 10 CO 0.47 -0.59 1.06 -1.25 0.00 0.00 0.00 175.76 175.45 3hwg s PRO 11 N -0.87 3.17 0.32 0.00 0.04 -1.26 -4.99 135.00 131.42 3hwg s PRO 11 Ca 0.53 1.12 -0.29 0.00 0.04 0.00 0.00 61.00 62.40 3hwg s PRO 11 Cb -0.38 -2.02 -0.10 0.00 0.04 0.00 0.00 34.50 32.04 3hwg s PRO 11 CO 0.45 -0.92 1.39 -1.25 0.04 0.00 0.00 177.00 176.70 3hwg s PRO 12 N -4.42 4.27 0.65 0.56 0.04 -1.26 -4.88 135.00 129.97 3hwg s PRO 12 Ca 0.62 2.33 0.29 0.00 0.04 0.00 0.00 61.00 64.28 3hwg s PRO 12 Cb -0.15 -3.05 1.60 0.00 0.04 0.00 0.00 34.50 32.93 3hwg s PRO 12 CO 0.43 -0.33 1.91 -0.07 0.04 0.00 0.00 177.00 178.98 3hwg h LEU 13 N 3.67 0.00 -1.97 -3.56 4.07 -1.94 0.15 115.31 115.74 3hwg h LEU 13 Ca -0.49 0.00 -0.01 0.00 0.08 0.00 0.00 57.88 57.46 3hwg h LEU 13 Cb 1.23 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 42.97 3hwg h LEU 13 CO 0.68 0.00 -0.05 0.77 -1.08 0.00 0.00 178.44 178.76 3hwg h SER 14 N 0.00 0.00 -0.03 -0.43 4.64 -2.02 -2.10 113.55 113.61 3hwg h SER 14 Ca 0.03 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.35 3hwg h SER 14 Cb 0.75 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.84 3hwg h SER 14 CO -0.00 0.05 0.00 0.29 -0.87 0.00 0.00 176.83 176.30 3hwg n LYS 15 N -4.36 1.48 -3.74 4.77 5.02 0.52 -4.68 118.16 117.17 3hwg n LYS 15 Ca -0.03 -0.71 -0.37 0.00 -2.02 0.00 0.00 58.31 55.18 3hwg n LYS 15 Cb 0.13 -1.46 -0.11 0.00 -0.02 0.00 0.00 35.03 33.56 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 -1.97 3.54 0.88 -0.18 1.01 -0.79 -4.96 120.40 117.92 3hwg s VAL 16 Ca 0.39 -1.71 -0.11 0.00 0.00 0.00 0.00 61.98 60.55 3hwg s VAL 16 Cb 0.20 -3.26 0.12 0.00 0.00 0.00 0.00 36.38 33.44 3hwg s VAL 16 CO 0.33 -0.52 1.11 -2.84 0.00 0.00 0.00 175.10 173.17 3hwg s PRO 17 N 1.26 1.38 -0.07 2.72 0.02 -1.26 -4.97 135.00 134.07 3hwg s PRO 17 Ca 0.04 1.20 0.05 0.00 0.02 0.00 0.00 61.00 62.31 3hwg s PRO 17 Cb -0.22 -1.79 -0.01 0.00 0.02 0.00 0.00 34.50 32.49 3hwg s PRO 17 CO -0.02 -2.27 -0.23 -1.17 -0.33 0.00 0.00 177.00 172.99 3hwg s LEU 18 N -6.32 2.18 0.10 -5.54 2.96 -1.26 -4.07 118.68 106.73 3hwg s LEU 18 Ca 0.64 -0.48 -0.33 0.00 -0.22 0.00 0.00 54.13 53.73 3hwg s LEU 18 Cb -0.20 -1.42 -0.13 0.00 0.50 0.00 0.00 46.19 44.95 3hwg s LEU 18 CO 0.58 0.22 1.70 1.67 -1.32 0.00 0.00 176.35 179.20 3hwg n GLN 19 N 3.09 2.31 -2.18 1.98 -0.06 -0.09 -4.92 117.38 117.50 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 0.52 -2.65 -0.03 0.00 -4.06 0.00 0.00 30.24 24.02 3hwg n GLN 19 CO 0.00 0.00 0.00 -0.65 -0.20 0.00 0.00 177.06 176.21 3hwg s GLN 20 N 1.95 4.37 -1.22 3.69 -0.21 -1.26 -3.76 119.66 123.23 3hwg s GLN 20 Ca 0.82 2.11 -0.07 0.00 0.02 0.00 0.00 55.36 58.24 3hwg s GLN 20 Cb -0.64 -3.17 -0.01 0.00 1.00 0.00 0.00 33.01 30.19 3hwg s GLN 20 CO 0.41 -0.27 0.76 -1.71 -2.12 0.00 0.00 175.29 172.35 3hwg n ASN 21 N 2.44 -3.18 -4.70 5.90 5.15 -1.26 -4.85 115.26 114.76 3hwg n ASN 21 Ca 0.06 -0.86 -0.43 0.00 -0.60 0.00 0.00 54.58 52.75 3hwg n ASN 21 Cb 0.42 -4.05 -0.03 0.00 -0.53 0.00 0.00 39.78 35.59 3hwg n ASN 21 CO 0.00 0.00 0.00 0.33 1.40 0.00 0.00 177.26 178.99 3hwg n PHE 22 N -4.08 2.65 -3.53 1.20 -0.00 -1.25 -4.96 117.46 107.50 3hwg n PHE 22 Ca -0.21 -0.05 -0.42 0.00 -0.00 0.00 0.00 57.45 56.78 3hwg n PHE 22 Cb 0.65 -2.70 -0.09 0.00 -0.00 0.00 0.00 39.48 37.34 3hwg n PHE 22 CO 0.00 0.00 0.00 -0.65 -0.00 0.00 0.00 176.76 176.11 3hwg s GLN 23 N 2.03 2.73 0.33 -4.13 1.11 -1.26 -4.78 119.66 115.68 3hwg s GLN 23 Ca 0.79 -1.44 0.08 0.00 0.01 0.00 0.00 55.36 54.80 3hwg s GLN 23 Cb -0.50 -3.91 0.57 0.00 -1.01 0.00 0.00 33.01 28.16 3hwg s GLN 23 CO 0.35 -0.99 1.77 0.38 0.01 0.00 0.00 175.29 176.82 3hwg h ASP 24 N 8.53 0.22 0.89 5.90 2.03 -2.00 -2.72 116.42 129.26 3hwg h ASP 24 Ca -0.25 -0.08 -0.08 0.00 -0.73 0.00 0.00 57.03 55.90 3hwg h ASP 24 Cb 1.09 -0.06 -0.01 0.00 -0.83 0.00 0.00 39.33 39.52 3hwg h ASP 24 CO 0.80 0.54 -0.39 -0.55 -1.03 0.00 0.00 179.24 178.61 3hwg h ASN 25 N 0.19 0.00 0.74 4.15 7.08 -1.98 -3.07 115.58 122.68 3hwg h ASN 25 Ca 0.02 0.00 -0.26 0.00 -3.08 0.00 0.00 56.30 52.99 3hwg h ASN 25 Cb 0.68 0.00 -0.01 0.00 -2.08 0.00 0.00 38.32 36.91 3hwg h ASN 25 CO 0.05 0.39 -1.20 1.56 -2.08 0.00 0.00 177.43 176.16 3hwg h GLN 26 N 0.00 0.17 0.00 4.14 7.50 -1.95 -3.34 115.11 121.63 3hwg h GLN 26 Ca -0.00 -0.30 -0.02 0.00 0.50 0.00 0.00 58.65 58.83 3hwg h GLN 26 Cb 0.94 0.11 -0.00 0.00 0.05 0.00 0.00 27.48 28.58 3hwg h GLN 26 CO 0.05 1.12 -0.09 0.35 -1.50 0.00 0.00 178.83 178.76 3hwg h PHE 27 N 0.05 0.00 -4.14 2.96 3.04 -1.42 -3.46 116.94 113.96 3hwg h PHE 27 Ca -0.11 0.00 -0.55 0.00 3.98 0.00 0.00 57.97 61.30 3hwg h PHE 27 Cb 1.91 0.00 0.16 0.00 2.56 0.00 0.00 35.95 40.58 3hwg h PHE 27 CO 0.04 0.09 0.46 1.14 -2.02 0.00 0.00 178.31 178.02 3hwg s GLN 28 N -3.47 2.26 0.00 1.11 -2.07 -1.17 -4.87 119.66 111.46 3hwg s GLN 28 Ca 0.03 1.95 0.00 0.00 -1.82 0.00 0.00 55.36 55.52 3hwg s GLN 28 Cb 0.08 -1.82 0.00 0.00 -1.09 0.00 0.00 33.01 30.17 3hwg s GLN 28 CO 0.62 -1.79 0.00 0.41 -1.32 0.00 0.00 175.29 173.21 3hwg n GLY 29 N 0.74 0.05 3.74 2.60 0.00 0.12 -4.93 105.19 107.51 3hwg n GLY 29 Ca 0.15 -2.27 -0.38 0.00 0.00 0.00 0.00 46.02 43.53 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 4.27 0.04 1.61 2.20 -1.26 0.10 119.74 126.70 3hwg s LYS 30 Ca 0.00 0.39 0.08 0.00 -0.36 0.00 0.00 55.97 56.08 3hwg s LYS 30 Cb 0.00 -3.40 -0.03 0.00 -1.51 0.00 0.00 37.83 32.89 3hwg s LYS 30 CO 0.00 0.25 -0.23 -1.58 -0.36 0.00 0.00 175.35 173.43 3hwg s TRP 31 N 0.36 2.42 -0.09 4.03 0.52 -0.61 -4.75 118.94 120.81 3hwg s TRP 31 Ca 0.24 -0.35 -0.13 0.00 0.02 0.00 0.00 56.10 55.88 3hwg s TRP 31 Cb -0.15 -1.43 -0.05 0.00 -1.15 0.00 0.00 33.47 30.69 3hwg s TRP 31 CO 0.10 0.16 0.32 0.71 0.02 0.00 0.00 176.95 178.26 3hwg s TYR 32 N -0.83 3.59 -1.03 -1.98 2.02 0.83 -1.25 117.35 118.69 3hwg s TYR 32 Ca 0.13 0.75 -0.23 0.00 -0.37 0.00 0.00 57.07 57.34 3hwg s TYR 32 Cb -0.10 -2.26 0.05 0.00 -0.40 0.00 0.00 41.96 39.25 3hwg s TYR 32 CO 0.03 0.47 1.46 0.08 -1.57 0.00 0.00 175.55 176.02 3hwg s VAL 33 N -0.35 3.92 -0.28 0.71 1.01 -0.66 -1.43 120.40 123.33 3hwg s VAL 33 Ca 0.19 -0.78 0.21 0.00 0.00 0.00 0.00 61.98 61.60 3hwg s VAL 33 Cb -0.14 -5.06 0.10 0.00 0.00 0.00 0.00 36.38 31.28 3hwg s VAL 33 CO 0.08 -1.94 1.25 -0.37 0.00 0.00 0.00 175.10 174.12 3hwg h VAL 34 N 6.77 0.18 -3.86 2.92 -1.51 -1.65 -3.40 116.25 115.70 3hwg h VAL 34 Ca 0.21 -1.30 -0.28 0.00 -1.23 0.00 0.00 66.70 64.10 3hwg h VAL 34 Cb 1.01 1.86 -0.27 0.00 -2.13 0.00 0.00 31.29 31.76 3hwg h VAL 34 CO 1.43 0.10 -0.74 -0.83 -1.23 0.00 0.00 177.57 176.31 3hwg s GLY 35 N -4.39 0.20 -0.11 5.19 0.00 -0.83 -3.77 107.32 103.61 3hwg s GLY 35 Ca 0.02 -0.24 -0.04 0.00 0.00 0.00 0.00 44.72 44.46 3hwg s GLY 35 CO 0.75 -0.24 0.16 -2.27 0.00 0.00 0.00 173.10 171.50 3hwg s LEU 36 N -0.36 -0.05 0.01 0.66 0.20 0.13 -0.65 118.68 118.62 3hwg s LEU 36 Ca -0.01 0.17 0.00 0.00 0.69 0.00 0.00 54.13 54.98 3hwg s LEU 36 Cb -0.03 0.25 -0.01 0.00 -0.43 0.00 0.00 46.19 45.97 3hwg s LEU 36 CO -0.00 -0.27 -0.02 0.00 -0.29 0.00 0.00 176.35 175.77 3hwg s ALA 37 N 2.29 0.15 0.00 5.97 0.00 -0.50 0.29 121.76 129.95 3hwg s ALA 37 Ca 0.04 -0.25 0.00 0.00 0.00 0.00 0.00 51.96 51.75 3hwg s ALA 37 Cb -0.13 0.02 0.00 0.00 0.00 0.00 0.00 23.12 23.02 3hwg s ALA 37 CO -0.07 -0.03 0.00 0.41 0.00 0.00 0.00 175.76 176.08 3hwg n GLY 38 N 2.55 0.68 0.25 0.00 0.00 -1.08 0.88 105.19 108.46 3hwg n GLY 38 Ca -0.16 -0.77 0.16 0.00 0.00 0.00 0.00 46.02 45.25 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 0.16 1.61 -1.07 -1.80 -2.62 115.58 111.86 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 -1.77 0.00 0.07 0.00 0.00 177.43 175.73 3hwg n ALA 40 N -2.04 2.89 -1.75 4.14 0.00 -1.26 -4.63 120.51 117.86 3hwg n ALA 40 Ca 0.01 -0.48 -0.40 0.00 0.00 0.00 0.00 53.44 52.57 3hwg n ALA 40 Cb 0.31 -0.81 -0.05 0.00 0.00 0.00 0.00 19.45 18.90 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 -3.46 3.75 -0.00 0.00 -1.09 -0.99 -5.06 121.20 114.35 3hwg s ILE 41 Ca -0.06 1.77 0.00 0.00 -2.23 0.00 0.00 60.65 60.13 3hwg s ILE 41 Cb 0.13 -4.12 0.01 0.00 -1.58 0.00 0.00 42.46 36.90 3hwg s ILE 41 CO 0.89 0.42 0.00 -0.76 -1.23 0.00 0.00 174.94 174.26 3hwg s LEU 42 N -1.34 1.79 -0.12 2.97 1.02 -1.26 -4.45 118.68 117.30 3hwg s LEU 42 Ca 0.43 0.00 -0.30 0.00 0.02 0.00 0.00 54.13 54.29 3hwg s LEU 42 Cb -0.29 -0.03 -0.02 0.00 0.02 0.00 0.00 46.19 45.87 3hwg s LEU 42 CO 0.37 -0.03 1.25 -0.13 0.02 0.00 0.00 176.35 177.83 3hwg s ARG 43 N 0.24 4.28 -1.14 1.70 1.81 0.14 -4.97 118.95 121.00 3hwg s ARG 43 Ca -0.02 1.68 -0.13 0.00 -1.72 0.00 0.00 55.73 55.54 3hwg s ARG 43 Cb -0.03 -3.68 0.13 0.00 -0.45 0.00 0.00 34.95 30.91 3hwg s ARG 43 CO -0.01 -0.61 0.32 -3.47 -0.68 0.00 0.00 175.30 170.86 3hwg n ASP 47 N 6.05 -0.90 -4.73 0.23 -0.08 -1.26 -5.05 116.55 110.82 3hwg n ASP 47 Ca 0.13 -0.77 -0.35 0.00 -1.51 0.00 0.00 54.79 52.28 3hwg n ASP 47 Cb 0.45 -0.99 0.08 0.00 2.34 0.00 0.00 41.12 43.01 3hwg n ASP 47 CO 0.00 0.00 0.00 -2.84 0.12 0.00 0.00 177.20 174.48 3hwg s PRO 48 N -4.97 2.33 0.08 -0.67 0.02 -1.26 -4.88 135.00 125.66 3hwg s PRO 48 Ca 0.45 1.84 -0.31 0.00 0.02 0.00 0.00 61.00 63.00 3hwg s PRO 48 Cb -0.26 -1.85 -0.10 0.00 0.02 0.00 0.00 34.50 32.31 3hwg s PRO 48 CO 0.63 -1.71 1.90 0.00 -0.33 0.00 0.00 177.00 177.50 3hwg n GLN 49 N -2.39 2.82 -3.14 5.54 0.00 -1.26 -4.92 117.38 114.04 3hwg n GLN 49 Ca 0.14 1.03 -0.36 0.00 0.00 0.00 0.00 57.00 57.81 3hwg n GLN 49 Cb 0.50 -2.95 -0.06 0.00 0.00 0.00 0.00 30.24 27.72 3hwg n GLN 49 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.06 177.21 3hwg s LYS 50 N 3.48 4.23 0.36 2.61 1.02 -1.26 -1.66 119.74 128.53 3hwg s LYS 50 Ca 0.85 0.83 -0.27 0.00 0.02 0.00 0.00 55.97 57.40 3hwg s LYS 50 Cb -0.46 -2.93 -0.09 0.00 -0.52 0.00 0.00 37.83 33.82 3hwg s LYS 50 CO 0.40 0.43 1.26 1.41 -0.92 0.00 0.00 175.35 177.93 3hwg s MET 51 N -1.86 4.20 0.16 1.68 -2.45 -0.12 -4.73 119.30 116.17 3hwg s MET 51 Ca 0.41 2.10 0.04 0.00 -1.25 0.00 0.00 55.69 56.98 3hwg s MET 51 Cb -0.17 -2.91 -0.05 0.00 1.25 0.00 0.00 34.83 32.95 3hwg s MET 51 CO 0.21 -0.28 -0.06 1.52 1.05 0.00 0.00 175.02 177.46 3hwg s TYR 52 N -1.23 1.25 0.20 4.11 1.13 -1.26 -4.71 117.35 116.84 3hwg s TYR 52 Ca 0.53 -0.85 0.07 0.00 -1.41 0.00 0.00 57.07 55.41 3hwg s TYR 52 Cb -0.37 -0.67 -0.04 0.00 -1.10 0.00 0.00 41.96 39.78 3hwg s TYR 52 CO 0.48 -0.02 0.07 0.00 -2.51 0.00 0.00 175.55 173.57 3hwg s ALA 53 N -3.44 3.35 -0.06 9.51 0.00 -1.01 -1.65 121.76 128.46 3hwg s ALA 53 Ca 0.19 -1.38 -0.01 0.00 0.00 0.00 0.00 51.96 50.76 3hwg s ALA 53 Cb 0.04 -1.10 0.03 0.00 0.00 0.00 0.00 23.12 22.08 3hwg s ALA 53 CO 0.02 0.42 0.00 0.99 0.00 0.00 0.00 175.76 177.18 3hwg s THR 54 N -1.89 0.33 -0.27 0.00 2.01 -0.38 -0.60 115.64 114.83 3hwg s THR 54 Ca 0.30 0.12 -0.10 0.00 0.31 0.00 0.00 61.69 62.32 3hwg s THR 54 Cb -0.09 -0.48 -0.04 0.00 0.01 0.00 0.00 72.50 71.90 3hwg s THR 54 CO 0.21 0.24 0.15 -0.63 -0.69 0.00 0.00 174.62 173.90 3hwg s ILE 55 N 1.79 4.96 -0.64 1.82 1.09 -0.12 -1.58 121.20 128.52 3hwg s ILE 55 Ca 0.02 0.05 -0.16 0.00 -1.10 0.00 0.00 60.65 59.45 3hwg s ILE 55 Cb -0.13 -3.35 0.15 0.00 -1.06 0.00 0.00 42.46 38.07 3hwg s ILE 55 CO -0.04 0.28 0.64 -0.31 -0.10 0.00 0.00 174.94 175.40 3hwg s TYR 56 N 1.71 3.32 -0.50 3.97 2.02 0.12 -2.32 117.35 125.66 3hwg s TYR 56 Ca 0.07 -1.41 -0.22 0.00 -0.37 0.00 0.00 57.07 55.15 3hwg s TYR 56 Cb -0.16 -3.87 0.04 0.00 -0.40 0.00 0.00 41.96 37.58 3hwg s TYR 56 CO 0.08 -1.09 0.76 -1.83 -1.57 0.00 0.00 175.55 171.91 3hwg s GLU 57 N 1.51 3.26 -0.23 -0.62 4.04 -1.12 0.14 118.70 125.67 3hwg s GLU 57 Ca 0.10 -0.48 -0.29 0.00 0.04 0.00 0.00 54.97 54.34 3hwg s GLU 57 Cb -0.23 -4.04 -0.02 0.00 0.02 0.00 0.00 34.13 29.86 3hwg s GLU 57 CO 0.00 -1.27 1.59 -1.17 -1.84 0.00 0.00 175.26 172.57 3hwg s LEU 58 N 3.22 3.88 0.00 1.83 0.20 -1.26 -1.13 118.68 125.42 3hwg s LEU 58 Ca 0.24 1.56 0.00 0.00 0.69 0.00 0.00 54.13 56.62 3hwg s LEU 58 Cb -0.15 -3.53 0.00 0.00 -0.43 0.00 0.00 46.19 42.08 3hwg s LEU 58 CO 0.17 -1.25 0.18 0.29 -0.29 0.00 0.00 176.35 175.44 3hwg n LYS 59 N 7.65 0.00 -0.81 1.98 5.02 -1.26 -4.99 118.16 125.76 3hwg n LYS 59 Ca 0.18 0.01 -0.01 0.00 -2.02 0.00 0.00 58.31 56.48 3hwg n LYS 59 Cb 0.45 -0.69 0.28 0.00 -0.02 0.00 0.00 35.03 35.06 3hwg n LYS 59 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 3hwg n LYS 62 N -0.54 3.63 -2.08 1.97 0.00 -1.26 -4.98 118.16 114.90 3hwg n LYS 62 Ca 0.00 -2.54 -0.27 0.00 0.00 0.00 0.00 58.31 55.49 3hwg n LYS 62 Cb 0.00 -2.09 0.09 0.00 0.00 0.00 0.00 35.03 33.03 3hwg n LYS 62 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.40 177.85 3hwg s SER 63 N -0.69 4.51 -0.10 3.14 0.15 -1.26 -4.81 113.70 114.63 3hwg s SER 63 Ca 0.45 0.52 -0.03 0.00 0.70 0.00 0.00 55.95 57.59 3hwg s SER 63 Cb 0.35 -1.04 -0.03 0.00 -1.71 0.00 0.00 66.02 63.59 3hwg s SER 63 CO 0.12 -1.84 0.02 -0.31 1.20 0.00 0.00 173.24 172.43 3hwg s TYR 64 N -3.43 3.20 -0.63 3.44 1.51 -0.50 -4.43 117.35 116.52 3hwg s TYR 64 Ca 0.62 0.18 -0.13 0.00 -1.01 0.00 0.00 57.07 56.74 3hwg s TYR 64 Cb -0.10 -1.84 0.16 0.00 -0.11 0.00 0.00 41.96 40.07 3hwg s TYR 64 CO 0.47 0.43 0.55 1.21 -1.11 0.00 0.00 175.55 177.10 3hwg s ASN 65 N -0.71 6.19 -0.32 2.29 3.84 -0.28 -1.61 114.94 124.34 3hwg s ASN 65 Ca 0.11 -2.20 -0.20 0.00 0.21 0.00 0.00 52.86 50.79 3hwg s ASN 65 Cb -0.12 -2.14 -0.01 0.00 -0.55 0.00 0.00 41.25 38.44 3hwg s ASN 65 CO 0.02 -0.69 0.62 -0.69 -2.79 0.00 0.00 177.10 173.57 3hwg s VAL 66 N 0.95 4.93 -0.11 -5.21 1.01 0.20 -2.79 120.40 119.37 3hwg s VAL 66 Ca 0.10 0.73 0.02 0.00 0.00 0.00 0.00 61.98 62.82 3hwg s VAL 66 Cb -0.22 -4.02 0.01 0.00 0.00 0.00 0.00 36.38 32.16 3hwg s VAL 66 CO -0.02 -0.20 -0.16 0.28 0.00 0.00 0.00 175.10 175.00 3hwg s THR 67 N 2.62 1.56 -0.24 3.92 -1.32 -0.98 0.54 115.64 121.73 3hwg s THR 67 Ca 0.24 -0.69 -0.09 0.00 -1.21 0.00 0.00 61.69 59.95 3hwg s THR 67 Cb -0.15 -1.41 -0.04 0.00 -1.51 0.00 0.00 72.50 69.39 3hwg s THR 67 CO 0.13 0.45 0.11 -0.44 -2.21 0.00 0.00 174.62 172.66 3hwg s SER 68 N 0.89 5.56 -0.47 8.08 0.01 0.16 -0.94 113.70 126.99 3hwg s SER 68 Ca -0.08 -0.07 -0.18 0.00 1.31 0.00 0.00 55.95 56.93 3hwg s SER 68 Cb -0.15 -2.00 0.04 0.00 0.21 0.00 0.00 66.02 64.12 3hwg s SER 68 CO -0.00 0.01 0.54 0.54 0.41 0.00 0.00 173.24 174.74 3hwg s VAL 69 N 1.36 4.98 -0.04 3.43 0.11 0.23 -2.09 120.40 128.37 3hwg s VAL 69 Ca 0.06 -0.45 0.01 0.00 -2.93 0.00 0.00 61.98 58.67 3hwg s VAL 69 Cb -0.15 -4.19 -0.03 0.00 -1.53 0.00 0.00 36.38 30.48 3hwg s VAL 69 CO 0.05 -0.64 -0.05 -0.76 -3.33 0.00 0.00 175.10 170.38 3hwg s LEU 70 N 2.38 3.27 -0.40 2.54 2.01 0.10 -2.42 118.68 126.15 3hwg s LEU 70 Ca 0.14 -0.03 -0.15 0.00 0.01 0.00 0.00 54.13 54.10 3hwg s LEU 70 Cb -0.19 -1.78 0.02 0.00 0.01 0.00 0.00 46.19 44.25 3hwg s LEU 70 CO 0.13 0.33 0.30 0.12 1.01 0.00 0.00 176.35 178.24 3hwg s PHE 71 N -0.90 3.23 -0.09 0.29 5.99 -1.26 0.10 117.98 125.34 3hwg s PHE 71 Ca 0.15 -0.53 -0.07 0.00 0.00 0.00 0.00 56.93 56.48 3hwg s PHE 71 Cb -0.11 -2.60 0.03 0.00 0.00 0.00 0.00 43.02 40.34 3hwg s PHE 71 CO 0.04 -0.57 0.23 1.03 -0.00 0.00 0.00 175.22 175.95 3hwg s ARG 72 N 1.71 0.23 -1.38 10.12 1.81 0.05 -4.92 118.95 126.58 3hwg s ARG 72 Ca 0.06 0.39 -0.08 0.00 -1.72 0.00 0.00 55.73 54.38 3hwg s ARG 72 Cb -0.19 0.03 0.03 0.00 -0.45 0.00 0.00 34.95 34.37 3hwg s ARG 72 CO 0.10 -0.08 1.05 0.36 -0.68 0.00 0.00 175.30 176.05 3hwg n LYS 73 N 3.47 -6.74 -2.83 3.54 0.00 -1.26 -1.83 118.16 112.50 3hwg n LYS 73 Ca -0.18 0.74 -0.22 0.00 -0.00 0.00 0.00 58.31 58.66 3hwg n LYS 73 Cb 0.56 -5.69 0.02 0.00 -0.00 0.00 0.00 35.03 29.92 3hwg n LYS 73 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.40 179.03 3hwg n LYS 74 N -4.72 -3.79 -3.77 -1.58 5.02 -1.26 -4.98 118.16 103.08 3hwg n LYS 74 Ca -0.06 0.91 -0.11 0.00 -2.02 0.00 0.00 58.31 57.03 3hwg n LYS 74 Cb 0.58 -5.70 -0.07 0.00 -0.02 0.00 0.00 35.03 29.81 3hwg n LYS 74 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 3hwg s LYS 75 N -5.50 0.79 -0.35 1.97 1.02 -0.76 -5.13 119.74 111.77 3hwg s LYS 75 Ca 0.21 -0.53 -0.21 0.00 0.02 0.00 0.00 55.97 55.45 3hwg s LYS 75 Cb -0.09 0.34 0.00 0.00 -0.52 0.00 0.00 37.83 37.56 3hwg s LYS 75 CO 0.26 -0.25 0.68 0.00 -0.92 0.00 0.00 175.35 175.12 3hwg s ASP 77 N 1.79 6.43 -0.28 0.00 1.11 0.29 -4.93 116.67 121.07 3hwg s ASP 77 Ca 0.27 0.46 0.01 0.00 0.18 0.00 0.00 52.55 53.47 3hwg s ASP 77 Cb -0.14 -2.05 0.08 0.00 1.07 0.00 0.00 42.92 41.88 3hwg s ASP 77 CO 0.15 0.29 0.01 -0.31 1.18 0.00 0.00 175.17 176.49 3hwg s TYR 78 N -1.25 2.58 -0.40 4.23 2.02 -1.26 -0.72 117.35 122.55 3hwg s TYR 78 Ca 0.25 -2.08 -0.16 0.00 -0.37 0.00 0.00 57.07 54.71 3hwg s TYR 78 Cb -0.13 -1.97 0.01 0.00 -0.40 0.00 0.00 41.96 39.48 3hwg s TYR 78 CO 0.15 -0.85 0.37 1.67 -1.57 0.00 0.00 175.55 175.32 3hwg s TRP 79 N 1.32 3.20 -0.13 2.71 -2.14 -0.89 -4.93 118.94 118.08 3hwg s TRP 79 Ca 0.03 -0.37 -0.04 0.00 2.66 0.00 0.00 56.10 58.37 3hwg s TRP 79 Cb -0.18 -2.74 -0.04 0.00 -3.10 0.00 0.00 33.47 27.41 3hwg s TRP 79 CO -0.11 -0.60 0.04 0.42 -2.66 0.00 0.00 176.95 174.03 3hwg s ILE 80 N 1.96 4.61 0.18 0.66 -1.09 -1.26 -0.66 121.20 125.59 3hwg s ILE 80 Ca 0.10 -0.12 -0.13 0.00 -2.23 0.00 0.00 60.65 58.27 3hwg s ILE 80 Cb -0.18 -3.00 0.01 0.00 -1.58 0.00 0.00 42.46 37.71 3hwg s ILE 80 CO 0.12 0.55 0.39 -0.13 -1.23 0.00 0.00 174.94 174.65 3hwg s ARG 81 N -0.42 1.26 -0.10 2.79 3.00 0.19 -5.00 118.95 120.67 3hwg s ARG 81 Ca 0.09 -1.04 0.03 0.00 0.00 0.00 0.00 55.73 54.81 3hwg s ARG 81 Cb -0.12 0.44 0.01 0.00 0.00 0.00 0.00 34.95 35.28 3hwg s ARG 81 CO 0.02 -0.50 -0.20 0.99 0.00 0.00 0.00 175.30 175.61 3hwg s THR 82 N -3.93 1.79 -0.26 0.02 2.01 -1.26 0.58 115.64 114.59 3hwg s THR 82 Ca 0.14 -0.85 -0.08 0.00 0.31 0.00 0.00 61.69 61.20 3hwg s THR 82 Cb 0.01 -1.57 -0.03 0.00 0.01 0.00 0.00 72.50 70.92 3hwg s THR 82 CO -0.01 0.50 0.10 -0.36 -0.69 0.00 0.00 174.62 174.16 3hwg s PHE 83 N 0.56 3.12 -0.17 4.92 2.99 -0.63 0.11 117.98 128.87 3hwg s PHE 83 Ca -0.15 -0.34 -0.09 0.00 0.00 0.00 0.00 56.93 56.35 3hwg s PHE 83 Cb -0.17 -2.27 -0.05 0.00 0.00 0.00 0.00 43.02 40.53 3hwg s PHE 83 CO 0.05 -0.33 0.13 0.08 -0.00 0.00 0.00 175.22 175.15 3hwg s VAL 84 N 1.64 5.43 0.22 -0.44 1.01 0.46 -1.40 120.40 127.32 3hwg s VAL 84 Ca 0.06 0.19 -0.32 0.00 0.00 0.00 0.00 61.98 61.91 3hwg s VAL 84 Cb -0.15 -3.44 -0.14 0.00 0.00 0.00 0.00 36.38 32.65 3hwg s VAL 84 CO 0.05 0.50 1.40 -2.65 0.00 0.00 0.00 175.10 174.40 3hwg n PRO 85 N 3.02 1.91 0.00 2.72 -0.02 -1.26 -0.36 135.00 141.02 3hwg n PRO 85 Ca -0.17 0.68 0.00 0.00 -2.02 0.00 0.00 63.50 61.99 3hwg n PRO 85 Cb 0.53 -2.33 0.00 0.00 -0.02 0.00 0.00 33.50 31.68 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 2.30 1.42 0.20 -1.23 0.00 0.13 -4.75 105.19 103.26 3hwg n GLY 86 Ca 0.13 -1.67 -0.05 0.00 0.00 0.00 0.00 46.02 44.43 3hwg n GLY 86 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3hwg h SER 87 N 0.00 0.40 -3.84 1.61 4.64 -1.95 -3.45 113.55 110.96 3hwg h SER 87 Ca 0.00 -0.18 -0.69 0.00 -0.47 0.00 0.00 61.79 60.45 3hwg h SER 87 Cb 0.00 -0.11 -0.22 0.00 -0.31 0.00 0.00 62.40 61.76 3hwg h SER 87 CO 0.00 0.80 -0.86 -1.10 -0.87 0.00 0.00 176.83 174.80 3hwg s GLN 88 N -4.10 1.44 0.22 4.77 -1.52 -1.26 -5.09 119.66 114.11 3hwg s GLN 88 Ca -0.06 -1.35 -0.32 0.00 -1.95 0.00 0.00 55.36 51.69 3hwg s GLN 88 Cb 0.13 -1.91 -0.11 0.00 -0.22 0.00 0.00 33.01 30.89 3hwg s GLN 88 CO 0.80 0.45 1.66 -2.14 -0.25 0.00 0.00 175.29 175.81 3hwg s PRO 89 N -2.11 4.15 0.00 2.91 0.02 -1.26 -2.08 135.00 136.63 3hwg s PRO 89 Ca 0.15 2.55 0.00 0.00 0.02 0.00 0.00 61.00 63.72 3hwg s PRO 89 Cb -0.10 -3.08 0.00 0.00 0.02 0.00 0.00 34.50 31.34 3hwg s PRO 89 CO 0.07 -0.70 0.00 0.41 -0.33 0.00 0.00 177.00 176.45 3hwg n GLY 90 N 3.58 2.96 3.85 0.52 0.00 -1.26 -4.50 105.19 110.34 3hwg n GLY 90 Ca 0.14 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.79 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 -0.52 3.76 0.03 1.61 2.02 -0.88 -1.79 118.70 122.93 3hwg s GLU 91 Ca 0.00 0.23 -0.01 0.00 0.02 0.00 0.00 54.97 55.20 3hwg s GLU 91 Cb 0.00 -3.19 -0.02 0.00 0.10 0.00 0.00 34.13 31.02 3hwg s GLU 91 CO 0.00 0.70 -0.00 -0.06 0.02 0.00 0.00 175.26 175.92 3hwg s PHE 92 N -1.10 0.29 0.23 1.61 0.40 -0.23 -0.69 117.98 118.50 3hwg s PHE 92 Ca 0.22 -0.62 0.10 0.00 -0.60 0.00 0.00 56.93 56.03 3hwg s PHE 92 Cb -0.15 -0.22 -0.04 0.00 0.51 0.00 0.00 43.02 43.12 3hwg s PHE 92 CO 0.11 -0.26 -0.09 0.95 0.70 0.00 0.00 175.22 176.64 3hwg s THR 93 N -2.11 3.10 -0.21 0.64 -4.23 0.52 -0.39 115.64 112.96 3hwg s THR 93 Ca -0.10 -1.92 -0.29 0.00 -1.18 0.00 0.00 61.69 58.20 3hwg s THR 93 Cb -0.05 -2.60 -0.01 0.00 1.34 0.00 0.00 72.50 71.19 3hwg s THR 93 CO -0.03 -0.27 1.22 -0.22 -0.54 0.00 0.00 174.62 174.78 3hwg s LEU 94 N -3.27 4.10 0.23 4.79 2.96 -1.26 -0.40 118.68 125.84 3hwg s LEU 94 Ca 0.28 1.52 -0.30 0.00 -0.22 0.00 0.00 54.13 55.41 3hwg s LEU 94 Cb -0.07 -3.54 -0.09 0.00 0.50 0.00 0.00 46.19 42.99 3hwg s LEU 94 CO 0.17 -0.80 1.21 -0.83 -1.32 0.00 0.00 176.35 174.77 3hwg s GLY 95 N 1.95 2.77 -1.33 7.98 0.00 0.30 -3.12 107.32 115.87 3hwg s GLY 95 Ca 0.52 1.01 -0.07 0.00 0.00 0.00 0.00 44.72 46.19 3hwg s GLY 95 CO 0.14 1.82 1.13 1.16 0.00 0.00 0.00 173.10 177.36 3hwg n ASN 96 N 1.99 -5.28 0.19 1.64 6.94 -1.26 -4.40 115.26 115.09 3hwg n ASN 96 Ca 0.03 -0.57 0.06 0.00 -0.02 0.00 0.00 54.58 54.08 3hwg n ASN 96 Cb 0.44 -4.99 0.56 0.00 -2.36 0.00 0.00 39.78 33.43 3hwg n ASN 96 CO 0.00 0.00 0.00 -0.29 -1.03 0.00 0.00 177.26 175.94 3hwg h ILE 97 N -2.49 1.05 0.00 1.53 2.10 -1.94 -2.54 117.51 115.22 3hwg h ILE 97 Ca -0.58 -0.18 0.00 0.00 1.08 0.00 0.00 64.86 65.19 3hwg h ILE 97 Cb 1.36 0.96 0.00 0.00 -1.09 0.00 0.00 36.82 38.06 3hwg h ILE 97 CO 0.55 0.06 0.00 0.29 -1.08 0.00 0.00 178.15 177.97 3hwg n LYS 98 N -4.48 0.14 0.00 2.19 4.76 -1.26 -2.69 118.16 116.82 3hwg n LYS 98 Ca -0.02 0.24 0.14 0.00 -2.87 0.00 0.00 58.31 55.80 3hwg n LYS 98 Cb 0.12 -1.70 0.63 0.00 -1.84 0.00 0.00 35.03 32.23 3hwg n LYS 98 CO 0.00 0.00 0.00 -1.13 -1.37 0.00 0.00 177.40 174.90 3hwg n SER 99 N -1.95 0.19 -4.55 4.39 3.41 -0.96 -4.75 113.62 109.41 3hwg n SER 99 Ca 0.04 -0.10 -0.40 0.00 -0.26 0.00 0.00 58.87 58.15 3hwg n SER 99 Cb 0.30 -0.23 -0.10 0.00 -0.26 0.00 0.00 64.21 63.93 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 -2.71 3.22 0.03 7.33 1.51 -1.09 -5.05 117.35 120.59 3hwg s TYR 100 Ca 0.23 0.01 -0.32 0.00 -1.01 0.00 0.00 57.07 55.98 3hwg s TYR 100 Cb 0.20 -2.61 -0.11 0.00 -0.11 0.00 0.00 41.96 39.33 3hwg s TYR 100 CO 0.51 -0.38 1.90 -2.30 -1.11 0.00 0.00 175.55 174.16 3hwg n PRO 101 N 5.32 2.61 0.00 -1.71 -0.02 -1.26 -2.80 135.00 137.13 3hwg n PRO 101 Ca -0.10 0.95 0.00 0.00 -2.02 0.00 0.00 63.50 62.33 3hwg n PRO 101 Cb 0.50 -2.85 0.00 0.00 -0.02 0.00 0.00 33.50 31.12 3hwg n PRO 101 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3hwg n GLY 102 N 4.38 2.77 3.60 -1.23 0.00 -1.26 -4.95 105.19 108.50 3hwg n GLY 102 Ca 0.20 -0.02 -0.43 0.00 0.00 0.00 0.00 46.02 45.77 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 3.51 -0.23 0.99 0.20 -1.12 -3.13 118.68 118.89 3hwg s LEU 103 Ca 0.00 1.28 0.07 0.00 0.69 0.00 0.00 54.13 56.17 3hwg s LEU 103 Cb 0.00 -3.51 -0.20 0.00 -0.43 0.00 0.00 46.19 42.05 3hwg s LEU 103 CO 0.00 -1.70 -0.08 0.35 -0.29 0.00 0.00 176.35 174.63 3hwg n THR 104 N 7.40 1.48 -4.17 3.68 -2.24 0.42 -4.78 114.28 116.05 3hwg n THR 104 Ca 0.23 -0.67 -0.18 0.00 -2.27 0.00 0.00 64.05 61.16 3hwg n THR 104 Cb 0.47 -1.12 -0.12 0.00 -2.10 0.00 0.00 70.33 67.46 3hwg n THR 104 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 3hwg s SER 105 N -6.21 1.66 -0.24 3.42 0.01 -1.04 -4.96 113.70 106.34 3hwg s SER 105 Ca -0.26 -0.64 -0.13 0.00 1.31 0.00 0.00 55.95 56.23 3hwg s SER 105 Cb 0.08 -0.04 0.08 0.00 0.21 0.00 0.00 66.02 66.34 3hwg s SER 105 CO 0.69 -0.10 0.59 -0.47 0.41 0.00 0.00 173.24 174.36 3hwg s TYR 106 N -1.41 -0.94 -0.01 2.43 6.14 -1.26 -1.22 117.35 121.09 3hwg s TYR 106 Ca -0.01 1.86 0.01 0.00 0.64 0.00 0.00 57.07 59.57 3hwg s TYR 106 Cb -0.09 0.52 0.00 0.00 0.42 0.00 0.00 41.96 42.81 3hwg s TYR 106 CO 0.02 -0.48 -0.03 -1.17 0.64 0.00 0.00 175.55 174.53 3hwg s LEU 107 N 1.73 1.85 -0.02 6.97 2.96 0.16 -4.03 118.68 128.30 3hwg s LEU 107 Ca -0.09 -0.06 0.08 0.00 -0.22 0.00 0.00 54.13 53.84 3hwg s LEU 107 Cb -0.07 -0.18 -0.02 0.00 0.50 0.00 0.00 46.19 46.41 3hwg s LEU 107 CO -0.17 0.02 -0.25 -0.69 -1.32 0.00 0.00 176.35 173.93 3hwg s VAL 108 N 0.13 2.15 -0.23 1.68 1.01 0.48 -0.88 120.40 124.74 3hwg s VAL 108 Ca -0.01 -1.07 -0.03 0.00 0.00 0.00 0.00 61.98 60.86 3hwg s VAL 108 Cb -0.04 -1.75 0.10 0.00 0.00 0.00 0.00 36.38 34.70 3hwg s VAL 108 CO -0.00 0.58 0.21 -0.60 0.00 0.00 0.00 175.10 175.29 3hwg s ARG 109 N -0.61 0.20 -0.40 2.72 3.52 0.98 -1.07 118.95 124.29 3hwg s ARG 109 Ca 0.10 0.02 -0.28 0.00 -0.13 0.00 0.00 55.73 55.43 3hwg s ARG 109 Cb -0.10 -1.15 -0.01 0.00 -1.56 0.00 0.00 34.95 32.13 3hwg s ARG 109 CO -0.01 -0.78 1.69 0.08 -0.81 0.00 0.00 175.30 175.47 3hwg s VAL 110 N 2.29 3.59 -0.05 7.11 1.01 -0.74 -0.04 120.40 133.58 3hwg s VAL 110 Ca 0.07 0.57 -0.20 0.00 0.00 0.00 0.00 61.98 62.42 3hwg s VAL 110 Cb -0.15 -3.87 -0.14 0.00 0.00 0.00 0.00 36.38 32.21 3hwg s VAL 110 CO -0.19 -0.60 0.83 0.58 0.00 0.00 0.00 175.10 175.72 3hwg h VAL 111 N 6.71 0.69 -2.49 2.92 2.07 -0.08 -0.22 116.25 125.84 3hwg h VAL 111 Ca -0.31 -1.02 -0.08 0.00 0.82 0.00 0.00 66.70 66.11 3hwg h VAL 111 Cb 1.15 1.16 -0.19 0.00 -1.52 0.00 0.00 31.29 31.89 3hwg h VAL 111 CO 1.08 0.18 0.01 -0.94 0.02 0.00 0.00 177.57 177.91 3hwg s SER 112 N -5.37 -0.46 -0.24 0.57 1.04 -1.11 -1.96 113.70 106.18 3hwg s SER 112 Ca -0.12 0.40 -0.27 0.00 0.48 0.00 0.00 55.95 56.45 3hwg s SER 112 Cb 0.01 0.46 0.12 0.00 0.10 0.00 0.00 66.02 66.70 3hwg s SER 112 CO 0.43 -0.58 0.98 0.28 0.98 0.00 0.00 173.24 175.33 3hwg s THR 113 N -1.50 0.00 -1.68 2.02 -1.32 -1.26 0.18 115.64 112.08 3hwg s THR 113 Ca -0.11 0.00 0.17 0.00 -1.21 0.00 0.00 61.69 60.55 3hwg s THR 113 Cb -0.02 -1.00 0.42 0.00 -1.51 0.00 0.00 72.50 70.39 3hwg s THR 113 CO 0.06 0.00 1.34 -0.46 -2.21 0.00 0.00 174.62 173.34 3hwg n ASN 114 N 1.78 3.28 0.00 8.08 6.94 -1.02 -5.01 115.26 129.31 3hwg n ASN 114 Ca -0.12 -1.94 0.00 0.00 -0.02 0.00 0.00 54.58 52.49 3hwg n ASN 114 Cb 0.56 -0.29 0.00 0.00 -2.36 0.00 0.00 39.78 37.69 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 1.12 0.00 0.15 -2.53 4.01 -1.24 -4.34 117.16 114.33 3hwg n TYR 115 Ca 0.17 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.91 3hwg n TYR 115 Cb 0.52 0.00 0.21 0.00 -0.31 0.00 0.00 39.34 39.76 3hwg n TYR 115 CO 0.00 0.00 0.00 -0.91 -0.46 0.00 0.00 176.86 175.49 3hwg h ASN 116 N 0.00 0.00 0.00 7.72 -0.26 -1.95 -3.42 115.58 117.67 3hwg h ASN 116 Ca 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.74 3hwg h ASN 116 Cb 0.00 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.26 3hwg h ASN 116 CO 0.00 0.56 -0.05 1.67 -1.06 0.00 0.00 177.43 178.54 3hwg n GLN 117 N -3.74 0.00 -4.19 0.81 7.27 -1.26 -4.76 117.38 111.51 3hwg n GLN 117 Ca -0.01 0.00 -0.11 0.00 0.07 0.00 0.00 57.00 56.95 3hwg n GLN 117 Cb 0.59 -0.45 -0.10 0.00 2.41 0.00 0.00 30.24 32.68 3hwg n GLN 117 CO 0.00 0.00 0.00 -3.38 0.07 0.00 0.00 177.06 173.75 3hwg s HIS 118 N -2.00 1.03 -0.19 3.69 -3.43 -1.26 -1.42 115.29 111.71 3hwg s HIS 118 Ca 0.00 -1.22 -0.27 0.00 -0.80 0.00 0.00 55.06 52.76 3hwg s HIS 118 Cb 0.00 -0.56 0.08 0.00 -1.43 0.00 0.00 32.58 30.66 3hwg s HIS 118 CO 0.00 -0.48 0.75 0.00 -2.00 0.00 0.00 174.74 173.02 3hwg s ALA 119 N -3.98 -1.80 -0.16 -1.38 0.00 -0.80 -2.43 121.76 111.20 3hwg s ALA 119 Ca 0.28 1.76 0.01 0.00 0.00 0.00 0.00 51.96 54.01 3hwg s ALA 119 Cb 0.07 -0.79 0.01 0.00 0.00 0.00 0.00 23.12 22.42 3hwg s ALA 119 CO 0.05 -0.34 -0.19 -1.64 0.00 0.00 0.00 175.76 173.64 3hwg s MET 120 N -0.24 3.06 -0.10 0.00 -1.94 0.13 0.84 119.30 121.04 3hwg s MET 120 Ca -0.03 -0.81 0.03 0.00 -1.71 0.00 0.00 55.69 53.16 3hwg s MET 120 Cb -0.03 -2.56 0.00 0.00 2.01 0.00 0.00 34.83 34.26 3hwg s MET 120 CO 0.03 -0.10 -0.21 0.08 -0.01 0.00 0.00 175.02 174.81 3hwg s VAL 121 N 1.05 1.87 -0.17 -6.03 1.01 -0.73 0.51 120.40 117.90 3hwg s VAL 121 Ca -0.01 -0.90 -0.12 0.00 0.00 0.00 0.00 61.98 60.95 3hwg s VAL 121 Cb -0.14 -1.64 -0.05 0.00 0.00 0.00 0.00 36.38 34.55 3hwg s VAL 121 CO -0.06 0.52 0.23 0.12 0.00 0.00 0.00 175.10 175.90 3hwg s PHE 122 N 0.52 3.45 -0.09 5.22 2.19 0.95 -1.18 117.98 129.05 3hwg s PHE 122 Ca -0.15 0.50 0.05 0.00 0.33 0.00 0.00 56.93 57.66 3hwg s PHE 122 Cb -0.17 -2.26 -0.00 0.00 -1.31 0.00 0.00 43.02 39.28 3hwg s PHE 122 CO 0.06 0.29 -0.24 -0.06 1.83 0.00 0.00 175.22 177.09 3hwg s PHE 123 N 0.33 2.49 -0.03 10.12 0.08 0.53 -0.02 117.98 131.48 3hwg s PHE 123 Ca 0.13 -0.94 0.04 0.00 0.12 0.00 0.00 56.93 56.29 3hwg s PHE 123 Cb -0.12 -1.66 -0.00 0.00 -0.57 0.00 0.00 43.02 40.67 3hwg s PHE 123 CO 0.02 -0.36 -0.15 0.21 -0.10 0.00 0.00 175.22 174.84 3hwg s LYS 124 N 0.20 1.51 0.03 0.44 2.20 -0.05 -0.71 119.74 123.36 3hwg s LYS 124 Ca -0.14 -0.54 -0.03 0.00 -0.36 0.00 0.00 55.97 54.90 3hwg s LYS 124 Cb -0.17 -1.36 -0.02 0.00 -1.51 0.00 0.00 37.83 34.78 3hwg s LYS 124 CO 0.07 0.24 0.04 -1.59 -0.36 0.00 0.00 175.35 173.74 3hwg s LYS 125 N -0.01 0.51 -0.28 4.03 -2.85 -0.64 0.41 119.74 120.90 3hwg s LYS 125 Ca -0.02 -0.79 0.03 0.00 -1.00 0.00 0.00 55.97 54.20 3hwg s LYS 125 Cb -0.10 0.19 0.07 0.00 -2.06 0.00 0.00 37.83 35.93 3hwg s LYS 125 CO 0.01 -0.11 -0.05 0.08 0.10 0.00 0.00 175.35 175.39 3hwg s VAL 126 N -2.47 2.08 -0.04 1.79 1.01 -0.35 -1.17 120.40 121.25 3hwg s VAL 126 Ca -0.06 -1.80 0.03 0.00 0.00 0.00 0.00 61.98 60.14 3hwg s VAL 126 Cb -0.02 -2.33 0.00 0.00 0.00 0.00 0.00 36.38 34.03 3hwg s VAL 126 CO -0.04 -0.24 -0.13 -0.94 0.00 0.00 0.00 175.10 173.75 3hwg s SER 127 N 1.09 1.66 -1.47 3.32 1.04 -0.97 -0.44 113.70 117.94 3hwg s SER 127 Ca -0.02 -0.27 -0.07 0.00 0.48 0.00 0.00 55.95 56.07 3hwg s SER 127 Cb -0.19 -0.51 0.01 0.00 0.10 0.00 0.00 66.02 65.43 3hwg s SER 127 CO -0.07 0.09 0.87 0.00 0.98 0.00 0.00 173.24 175.11 3hwg n GLN 128 N 3.33 -6.17 -1.08 4.02 1.13 -1.18 -1.82 117.38 115.60 3hwg n GLN 128 Ca -0.19 0.85 -0.03 0.00 -1.94 0.00 0.00 57.00 55.69 3hwg n GLN 128 Cb 0.53 -5.79 -0.01 0.00 0.11 0.00 0.00 30.24 25.08 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 -2.74 -5.86 -4.56 1.08 5.03 -1.26 -4.97 115.26 101.98 3hwg n ASN 129 Ca -0.05 0.07 -0.34 0.00 0.87 0.00 0.00 54.58 55.13 3hwg n ASN 129 Cb 0.59 -3.62 -0.11 0.00 -1.02 0.00 0.00 39.78 35.62 3hwg n ASN 129 CO 0.00 0.00 0.00 -0.13 -1.83 0.00 0.00 177.26 175.30 3hwg s ARG 130 N -2.20 3.70 -0.45 3.52 0.52 -0.76 -5.07 118.95 118.21 3hwg s ARG 130 Ca 0.00 -0.45 -0.24 0.00 -0.52 0.00 0.00 55.73 54.52 3hwg s ARG 130 Cb 0.00 -2.99 0.03 0.00 0.52 0.00 0.00 34.95 32.50 3hwg s ARG 130 CO 0.00 0.30 0.82 -2.00 0.02 0.00 0.00 175.30 174.45 3hwg s GLU 131 N 0.22 3.46 0.17 3.54 2.56 -1.26 -2.28 118.70 125.11 3hwg s GLU 131 Ca -0.00 -0.01 0.05 0.00 0.00 0.00 0.00 54.97 55.02 3hwg s GLU 131 Cb -0.13 -3.93 -0.04 0.00 2.00 0.00 0.00 34.13 32.03 3hwg s GLU 131 CO 0.02 -1.13 0.14 0.71 -0.56 0.00 0.00 175.26 174.44 3hwg s TYR 132 N 3.41 3.13 0.03 5.30 1.51 -0.32 -4.63 117.35 125.79 3hwg s TYR 132 Ca 0.32 -0.03 -0.19 0.00 -1.01 0.00 0.00 57.07 56.16 3hwg s TYR 132 Cb -0.12 -1.49 0.04 0.00 -0.11 0.00 0.00 41.96 40.28 3hwg s TYR 132 CO 0.23 0.52 0.43 -0.59 -1.11 0.00 0.00 175.55 175.04 3hwg s PHE 133 N -1.79 -0.30 -0.01 2.71 -0.71 -1.26 -1.62 117.98 114.99 3hwg s PHE 133 Ca 0.31 0.33 -0.11 0.00 -1.04 0.00 0.00 56.93 56.42 3hwg s PHE 133 Cb -0.10 0.23 0.01 0.00 -1.21 0.00 0.00 43.02 41.96 3hwg s PHE 133 CO 0.23 -0.56 0.23 -1.59 -1.34 0.00 0.00 175.22 172.19 3hwg s LYS 134 N -2.21 0.55 -0.18 1.99 -2.85 0.11 -2.39 119.74 114.76 3hwg s LYS 134 Ca -0.07 -0.23 -0.01 0.00 -1.00 0.00 0.00 55.97 54.66 3hwg s LYS 134 Cb -0.01 0.24 0.00 0.00 -2.06 0.00 0.00 37.83 36.00 3hwg s LYS 134 CO -0.00 -0.14 -0.12 0.42 0.10 0.00 0.00 175.35 175.60 3hwg s ILE 135 N -1.22 2.79 -0.14 3.79 1.09 0.25 -0.35 121.20 127.42 3hwg s ILE 135 Ca -0.13 -0.71 -0.05 0.00 -1.10 0.00 0.00 60.65 58.66 3hwg s ILE 135 Cb -0.06 -2.21 -0.04 0.00 -1.06 0.00 0.00 42.46 39.09 3hwg s ILE 135 CO 0.03 0.49 0.05 0.28 -0.10 0.00 0.00 174.94 175.68 3hwg s THR 136 N 1.13 4.66 -0.43 2.92 -1.32 -0.32 -1.41 115.64 120.88 3hwg s THR 136 Ca 0.01 -0.09 -0.16 0.00 -1.21 0.00 0.00 61.69 60.24 3hwg s THR 136 Cb -0.14 -3.05 0.03 0.00 -1.51 0.00 0.00 72.50 67.83 3hwg s THR 136 CO -0.04 0.53 0.36 -0.22 -2.21 0.00 0.00 174.62 173.04 3hwg s LEU 137 N -0.19 5.14 0.20 9.08 0.20 0.17 -1.78 118.68 131.50 3hwg s LEU 137 Ca 0.07 -0.93 -0.11 0.00 0.69 0.00 0.00 54.13 53.85 3hwg s LEU 137 Cb -0.12 -2.22 -0.07 0.00 -0.43 0.00 0.00 46.19 43.34 3hwg s LEU 137 CO 0.02 -0.53 0.55 -0.31 -0.29 0.00 0.00 176.35 175.78 3hwg s TYR 138 N 1.81 3.49 -0.00 5.38 2.02 0.25 -1.68 117.35 128.61 3hwg s TYR 138 Ca 0.07 0.93 -0.00 0.00 -0.37 0.00 0.00 57.07 57.70 3hwg s TYR 138 Cb -0.19 -2.29 0.00 0.00 -0.40 0.00 0.00 41.96 39.07 3hwg s TYR 138 CO 0.10 0.33 0.01 0.20 -1.57 0.00 0.00 175.55 174.62 3hwg s GLY 139 N -2.13 -0.01 0.37 0.71 0.00 -0.51 -1.90 107.32 103.85 3hwg s GLY 139 Ca 0.44 0.03 0.16 0.00 0.00 0.00 0.00 44.72 45.35 3hwg s GLY 139 CO 0.20 0.03 1.79 -0.09 0.00 0.00 0.00 173.10 175.04 3hwg h ARG 140 N 6.12 0.00 -6.19 2.90 9.65 -1.53 0.24 114.38 125.57 3hwg h ARG 140 Ca -0.24 0.00 -0.55 0.00 -1.10 0.00 0.00 59.98 58.09 3hwg h ARG 140 Cb 1.21 0.00 -0.02 0.00 -1.39 0.00 0.00 29.97 29.77 3hwg h ARG 140 CO 0.50 0.38 -0.24 0.95 2.80 0.00 0.00 179.97 184.37 3hwg s THR 141 N -3.91 1.87 -1.37 0.20 -4.23 -1.26 -4.66 115.64 102.28 3hwg s THR 141 Ca -0.02 -1.31 0.30 0.00 -1.18 0.00 0.00 61.69 59.48 3hwg s THR 141 Cb 0.13 -2.19 0.47 0.00 1.34 0.00 0.00 72.50 72.25 3hwg s THR 141 CO 0.70 0.00 2.02 0.29 -0.54 0.00 0.00 174.62 177.09 3hwg n LYS 142 N -1.92 0.37 -4.14 3.99 5.02 -1.26 -4.55 118.16 115.67 3hwg n LYS 142 Ca 0.05 -0.02 -0.13 0.00 -2.02 0.00 0.00 58.31 56.19 3hwg n LYS 142 Cb 0.63 -1.50 -0.11 0.00 -0.02 0.00 0.00 35.03 34.03 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 -2.64 0.75 0.19 1.97 2.02 -1.26 -4.84 118.70 114.88 3hwg s GLU 143 Ca 0.26 -1.08 -0.00 0.00 0.02 0.00 0.00 54.97 54.16 3hwg s GLU 143 Cb 0.20 -0.38 -0.04 0.00 0.10 0.00 0.00 34.13 34.01 3hwg s GLU 143 CO 0.48 0.05 0.09 -0.51 0.02 0.00 0.00 175.26 175.38 3hwg s LEU 144 N -2.34 1.50 0.61 1.80 1.43 -1.26 -4.91 118.68 115.52 3hwg s LEU 144 Ca 0.02 -1.32 -0.18 0.00 -1.03 0.00 0.00 54.13 51.63 3hwg s LEU 144 Cb -0.03 0.25 -0.03 0.00 0.03 0.00 0.00 46.19 46.42 3hwg s LEU 144 CO -0.01 -0.76 1.19 0.28 0.23 0.00 0.00 176.35 177.27 3hwg s THR 145 N -4.01 2.72 0.00 5.49 -1.32 -1.26 -4.87 115.64 112.39 3hwg s THR 145 Ca 0.33 0.42 -0.02 0.00 -1.21 0.00 0.00 61.69 61.21 3hwg s THR 145 Cb 0.07 -3.11 -0.10 0.00 -1.51 0.00 0.00 72.50 67.85 3hwg s THR 145 CO 0.09 -0.12 1.99 -1.54 -2.21 0.00 0.00 174.62 172.82 3hwg n SER 146 N -1.79 3.39 0.00 8.08 3.41 -1.26 -1.84 113.62 123.62 3hwg n SER 146 Ca 0.13 -2.03 0.00 0.00 -0.26 0.00 0.00 58.87 56.71 3hwg n SER 146 Cb 0.50 -0.83 0.00 0.00 -0.26 0.00 0.00 64.21 63.62 3hwg n SER 146 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3hwg n LEU 148 N 2.25 0.00 -0.03 1.04 4.77 -1.26 -0.09 117.00 123.68 3hwg n LEU 148 Ca 0.16 0.00 -0.05 0.00 -0.03 0.00 0.00 56.01 56.09 3hwg n LEU 148 Cb 0.48 0.00 0.17 0.00 -2.33 0.00 0.00 43.42 41.73 3hwg n LEU 148 CO 0.10 0.00 0.75 0.11 -1.33 0.00 0.00 177.39 177.02 3hwg h LYS 149 N 0.00 0.61 -0.33 3.23 1.57 -1.70 -1.26 116.57 118.69 3hwg h LYS 149 Ca 0.00 -0.22 -0.11 0.00 -1.87 0.00 0.00 60.65 58.45 3hwg h LYS 149 Cb 0.00 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.26 3hwg h LYS 149 CO 0.00 0.77 -0.24 0.93 -0.57 0.00 0.00 179.45 180.34 3hwg h GLU 150 N 0.54 0.74 -0.60 3.15 5.08 -0.75 -2.18 114.58 120.56 3hwg h GLU 150 Ca 0.08 -0.36 -0.03 0.00 -1.00 0.00 0.00 59.36 58.06 3hwg h GLU 150 Cb 0.65 -0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.87 3hwg h GLU 150 CO 0.05 0.97 0.25 -0.97 -1.00 0.00 0.00 179.01 178.31 3hwg h ASN 151 N 0.51 0.78 -0.81 1.42 -0.00 -1.77 -2.29 115.58 113.41 3hwg h ASN 151 Ca 0.06 -0.09 -0.05 0.00 -0.00 0.00 0.00 56.30 56.22 3hwg h ASN 151 Cb 0.80 -0.20 -0.04 0.00 -0.00 0.00 0.00 38.32 38.88 3hwg h ASN 151 CO 0.06 0.69 0.33 0.15 -0.00 0.00 0.00 177.43 178.66 3hwg h PHE 152 N 0.85 1.23 0.24 0.67 3.04 -1.12 -2.38 116.94 119.47 3hwg h PHE 152 Ca 0.20 -0.09 -0.01 0.00 3.98 0.00 0.00 57.97 62.05 3hwg h PHE 152 Cb 0.15 -0.37 0.00 0.00 2.56 0.00 0.00 35.95 38.29 3hwg h PHE 152 CO 0.01 0.92 -0.12 0.82 -2.02 0.00 0.00 178.31 177.93 3hwg h ILE 153 N 1.18 0.82 0.00 1.41 2.04 -0.94 -1.77 117.51 120.25 3hwg h ILE 153 Ca 0.27 -0.48 -0.02 0.00 1.00 0.00 0.00 64.86 65.63 3hwg h ILE 153 Cb 0.21 1.10 -0.00 0.00 -0.74 0.00 0.00 36.82 37.39 3hwg h ILE 153 CO -0.02 0.10 -0.08 0.08 0.00 0.00 0.00 178.15 178.24 3hwg h ARG 154 N -0.57 0.00 -0.05 2.37 0.11 -1.45 0.70 114.38 115.48 3hwg h ARG 154 Ca -0.03 0.00 -0.09 0.00 0.10 0.00 0.00 59.98 59.96 3hwg h ARG 154 Cb 0.42 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.50 3hwg h ARG 154 CO 0.05 0.08 -0.32 0.35 0.10 0.00 0.00 179.97 180.23 3hwg h PHE 155 N 0.00 0.42 -0.99 4.08 3.57 -1.40 -2.09 116.94 120.53 3hwg h PHE 155 Ca -0.00 -0.19 0.01 0.00 3.53 0.00 0.00 57.97 61.31 3hwg h PHE 155 Cb 0.52 -0.06 -0.05 0.00 2.79 0.00 0.00 35.95 39.15 3hwg h PHE 155 CO 0.00 0.94 0.64 0.77 -2.23 0.00 0.00 178.31 178.43 3hwg h SER 156 N -0.23 1.15 0.06 0.41 0.02 -0.77 -2.19 113.55 112.01 3hwg h SER 156 Ca -0.03 -0.04 -0.10 0.00 -0.84 0.00 0.00 61.79 60.79 3hwg h SER 156 Cb 0.99 -0.29 -0.01 0.00 0.14 0.00 0.00 62.40 63.23 3hwg h SER 156 CO 0.07 0.85 -0.30 0.11 -1.14 0.00 0.00 176.83 176.41 3hwg h LYS 157 N 1.35 0.37 0.00 3.45 1.79 -0.94 -2.17 116.57 120.42 3hwg h LYS 157 Ca 0.36 -0.15 -0.04 0.00 -2.18 0.00 0.00 60.65 58.65 3hwg h LYS 157 Cb -0.14 -0.02 -0.01 0.00 -1.58 0.00 0.00 32.23 30.49 3hwg h LYS 157 CO -0.08 0.64 -0.20 0.66 -1.08 0.00 0.00 179.45 179.39 3hwg h SER 158 N 0.32 0.00 0.74 0.86 4.64 -0.79 -2.49 113.55 116.83 3hwg h SER 158 Ca 0.04 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.36 3hwg h SER 158 Cb 0.70 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.79 3hwg h SER 158 CO 0.05 0.20 -0.31 0.18 -0.87 0.00 0.00 176.83 176.08 3hwg n LEU 159 N -3.47 0.34 0.00 5.97 4.77 -0.88 -4.94 117.00 118.79 3hwg n LEU 159 Ca -0.01 0.22 0.00 0.00 -0.03 0.00 0.00 56.01 56.19 3hwg n LEU 159 Cb 0.37 -0.34 0.00 0.00 -2.33 0.00 0.00 43.42 41.12 3hwg n LEU 159 CO 0.32 0.06 0.00 0.61 -1.33 0.00 0.00 177.39 177.05 3hwg n GLY 160 N 1.48 0.98 3.72 -0.72 0.00 -0.94 -4.45 105.19 105.27 3hwg n GLY 160 Ca 0.06 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.66 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 4.39 1.07 0.99 2.01 -0.85 -4.99 118.68 121.31 3hwg s LEU 161 Ca 0.00 1.63 -0.17 0.00 0.01 0.00 0.00 54.13 55.59 3hwg s LEU 161 Cb 0.00 -3.51 0.24 0.00 0.01 0.00 0.00 46.19 42.93 3hwg s LEU 161 CO 0.00 -0.20 1.22 -2.16 1.01 0.00 0.00 176.35 176.23 3hwg s PRO 162 N 0.75 -0.22 0.31 1.29 0.04 -1.26 -3.98 135.00 131.93 3hwg s PRO 162 Ca 0.49 -0.25 0.06 0.00 0.04 0.00 0.00 61.00 61.34 3hwg s PRO 162 Cb -0.21 -1.73 0.53 0.00 0.04 0.00 0.00 34.50 33.13 3hwg s PRO 162 CO 0.27 -3.01 1.76 0.93 0.04 0.00 0.00 177.00 176.99 3hwg h GLU 163 N -2.08 0.30 0.00 4.56 3.07 -1.97 -2.81 114.58 115.65 3hwg h GLU 163 Ca -0.45 -0.11 0.00 0.00 -0.50 0.00 0.00 59.36 58.30 3hwg h GLU 163 Cb 1.26 -0.02 0.00 0.00 -0.84 0.00 0.00 28.75 29.15 3hwg h GLU 163 CO 0.36 0.57 0.00 0.27 -1.40 0.00 0.00 179.01 178.82 3hwg n ASN 164 N -4.11 0.29 -0.71 1.42 6.94 -1.26 -1.85 115.26 115.98 3hwg n ASN 164 Ca -0.01 0.55 0.13 0.00 -0.02 0.00 0.00 54.58 55.23 3hwg n ASN 164 Cb 0.41 -0.62 0.33 0.00 -2.36 0.00 0.00 39.78 37.53 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 -1.80 0.04 -4.02 -2.53 8.25 -1.06 0.25 115.22 114.34 3hwg n HIS 165 Ca 0.04 -0.02 -0.35 0.00 -0.26 0.00 0.00 57.72 57.13 3hwg n HIS 165 Cb 0.26 0.00 -0.13 0.00 1.12 0.00 0.00 29.99 31.25 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 -1.96 3.95 0.05 1.59 1.01 -0.77 -2.63 121.20 122.44 3hwg s ILE 166 Ca 0.34 -0.31 0.05 0.00 0.00 0.00 0.00 60.65 60.73 3hwg s ILE 166 Cb 0.20 -2.79 -0.03 0.00 0.01 0.00 0.00 42.46 39.86 3hwg s ILE 166 CO 0.32 0.42 -0.15 -0.69 0.00 0.00 0.00 174.94 174.83 3hwg s VAL 167 N 1.12 1.17 -0.43 2.92 1.01 0.14 -4.80 120.40 121.55 3hwg s VAL 167 Ca 0.03 -1.14 0.04 0.00 0.00 0.00 0.00 61.98 60.90 3hwg s VAL 167 Cb -0.14 -1.08 0.11 0.00 0.00 0.00 0.00 36.38 35.27 3hwg s VAL 167 CO 0.01 -0.07 0.16 -0.36 0.00 0.00 0.00 175.10 174.84 3hwg s PHE 168 N -1.01 3.50 0.28 5.22 0.40 -1.26 0.20 117.98 125.31 3hwg s PHE 168 Ca 0.01 -3.05 -0.29 0.00 -0.60 0.00 0.00 56.93 52.99 3hwg s PHE 168 Cb -0.09 -2.90 -0.13 0.00 0.51 0.00 0.00 43.02 40.41 3hwg s PHE 168 CO 0.02 -0.86 1.22 -2.30 0.70 0.00 0.00 175.22 174.00 3hwg n PRO 169 N 3.75 1.76 -2.44 0.24 -0.02 -1.25 -4.92 135.00 132.13 3hwg n PRO 169 Ca 0.04 0.62 -0.42 0.00 -2.02 0.00 0.00 63.50 61.72 3hwg n PRO 169 Cb 0.38 -2.15 -0.03 0.00 -0.02 0.00 0.00 33.50 31.68 3hwg n PRO 169 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 3hwg s VAL 170 N -0.71 4.18 0.49 -1.45 -7.23 -0.66 -4.52 120.40 110.50 3hwg s VAL 170 Ca 0.62 1.53 -0.24 0.00 -1.81 0.00 0.00 61.98 62.08 3hwg s VAL 170 Cb -0.66 -3.98 -0.07 0.00 0.56 0.00 0.00 36.38 32.23 3hwg s VAL 170 CO 0.57 0.03 1.40 -2.65 -0.31 0.00 0.00 175.10 174.15 3hwg n PRO 171 N 4.86 2.02 -4.20 4.82 -0.02 -1.26 -0.95 135.00 140.26 3hwg n PRO 171 Ca 0.10 0.73 -0.12 0.00 -2.02 0.00 0.00 63.50 62.19 3hwg n PRO 171 Cb 0.46 -2.61 -0.10 0.00 -0.02 0.00 0.00 33.50 31.23 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 -1.23 0.07 -0.36 4.25 -4.36 -1.26 -4.88 121.20 113.43 3hwg s ILE 172 Ca 0.66 -1.99 0.17 0.00 -0.26 0.00 0.00 60.65 59.23 3hwg s ILE 172 Cb -0.44 -2.43 -0.24 0.00 1.25 0.00 0.00 42.46 40.61 3hwg s ILE 172 CO 0.54 -0.08 0.53 -0.90 0.24 0.00 0.00 174.94 175.27 3hwg n ASP 173 N -0.26 0.90 -4.83 4.36 5.75 -1.26 -4.91 116.55 116.31 3hwg n ASP 173 Ca 0.01 -0.38 -0.36 0.00 -0.01 0.00 0.00 54.79 54.04 3hwg n ASP 173 Cb 0.66 1.46 -0.06 0.00 -1.03 0.00 0.00 41.12 42.15 3hwg n ASP 173 CO 0.00 0.00 0.00 -1.10 -0.11 0.00 0.00 177.20 175.99 3hwg s GLN 174 N -2.96 4.05 0.00 0.11 1.11 -1.26 -4.39 119.66 116.32 3hwg s GLN 174 Ca -0.01 0.58 0.00 0.00 0.01 0.00 0.00 55.36 55.94 3hwg s GLN 174 Cb 0.12 -3.02 0.00 0.00 -1.01 0.00 0.00 33.01 29.10 3hwg s GLN 174 CO 0.72 0.52 0.00 0.00 0.01 0.00 0.00 175.29 176.54 3hwg h ILE 176 N 0.00 0.14 -0.03 0.00 3.07 -1.82 -3.50 117.51 115.37 3hwg h ILE 176 Ca 0.00 -0.04 0.00 0.00 1.55 0.00 0.00 64.86 66.37 3hwg h ILE 176 Cb 0.00 1.03 0.00 0.00 -0.27 0.00 0.00 36.82 37.58 3hwg h ILE 176 CO 0.00 0.00 0.00 0.47 -1.05 0.00 0.00 178.15 177.57