#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hoj s ARG 3 N 0.00 1.31 0.06 -0.52 0.52 -0.50 -4.77 118.95 115.05 3hoj s ARG 3 Ca 0.00 0.34 -0.31 0.00 -0.52 0.00 0.00 55.73 55.25 3hoj s ARG 3 Cb 0.00 -1.85 -0.08 0.00 0.52 0.00 0.00 34.95 33.53 3hoj s ARG 3 CO 0.00 -2.09 1.69 -0.47 0.02 0.00 0.00 175.30 174.45 3hoj s TYR 4 N -3.26 2.28 0.16 -0.53 5.04 -1.26 -4.98 117.35 114.79 3hoj s TYR 4 Ca 0.63 0.22 -0.01 0.00 -2.44 0.00 0.00 57.07 55.48 3hoj s TYR 4 Cb -0.15 -4.00 -0.04 0.00 0.35 0.00 0.00 41.96 38.12 3hoj s TYR 4 CO 0.53 -4.08 0.07 -0.51 -1.34 0.00 0.00 175.55 170.23 3hoj s LEU 5 N 2.88 1.63 0.13 6.97 1.43 -1.26 -5.08 118.68 125.38 3hoj s LEU 5 Ca 0.75 -1.26 -0.06 0.00 -1.03 0.00 0.00 54.13 52.54 3hoj s LEU 5 Cb -0.40 0.28 -0.02 0.00 0.03 0.00 0.00 46.19 46.08 3hoj s LEU 5 CO 0.33 -0.75 0.16 -0.54 0.23 0.00 0.00 176.35 175.79 3hoj s LYS 6 N -4.07 0.97 3.65 1.70 1.02 -1.26 -4.81 119.74 116.93 3hoj s LYS 6 Ca 0.29 -1.22 0.00 0.00 0.02 0.00 0.00 55.97 55.06 3hoj s LYS 6 Cb 0.07 0.31 0.00 0.00 -0.52 0.00 0.00 37.83 37.69 3hoj s LYS 6 CO 0.05 -0.31 0.00 0.41 -0.92 0.00 0.00 175.35 174.58 3hoj n GLY 7 N -0.11 0.54 0.30 -3.33 0.00 -1.26 -3.11 105.19 98.22 3hoj n GLY 7 Ca -0.09 -0.78 -0.00 0.00 0.00 0.00 0.00 46.02 45.15 3hoj n GLY 7 CO 0.00 0.00 0.00 0.11 0.00 0.00 0.00 173.32 173.43 3hoj h TRP 8 N 0.00 0.68 -0.31 1.61 5.08 -1.96 -2.15 115.95 118.89 3hoj h TRP 8 Ca 0.00 -0.04 -0.04 0.00 1.08 0.00 0.00 58.89 59.89 3hoj h TRP 8 Cb 0.00 -0.21 -0.01 0.00 -3.00 0.00 0.00 29.16 25.94 3hoj h TRP 8 CO 0.00 0.57 0.03 1.25 -1.28 0.00 0.00 178.44 179.01 3hoj h LEU 9 N 0.67 0.52 -0.47 0.11 6.46 -1.91 -0.16 115.31 120.53 3hoj h LEU 9 Ca 0.16 -0.28 0.05 0.00 -0.12 0.00 0.00 57.88 57.69 3hoj h LEU 9 Cb 0.20 -0.14 -0.05 0.00 -0.73 0.00 0.00 40.66 39.95 3hoj h LEU 9 CO -0.01 0.67 0.19 0.50 -0.62 0.00 0.00 178.44 179.17 3hoj h LYS 10 N 0.35 0.38 -0.17 1.25 3.64 -1.43 -1.83 116.57 118.76 3hoj h LYS 10 Ca 0.09 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.45 3hoj h LYS 10 Cb 0.38 -0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 32.11 3hoj h LYS 10 CO 0.01 0.25 0.10 0.22 -2.27 0.00 0.00 179.45 177.76 3hoj h ASP 11 N 0.39 0.20 -0.18 4.20 -0.00 -0.87 -0.27 116.42 119.88 3hoj h ASP 11 Ca 0.22 -0.03 -0.03 0.00 -0.00 0.00 0.00 57.03 57.18 3hoj h ASP 11 Cb 0.18 -0.05 -0.02 0.00 -0.00 0.00 0.00 39.33 39.45 3hoj h ASP 11 CO -0.19 0.17 0.03 1.62 -0.00 0.00 0.00 179.24 180.86 3hoj h VAL 12 N 0.21 1.16 -0.26 2.25 3.04 -0.89 -0.61 116.25 121.14 3hoj h VAL 12 Ca 0.06 -0.58 -0.06 0.00 -1.01 0.00 0.00 66.70 65.10 3hoj h VAL 12 Cb 0.00 0.92 -0.01 0.00 -2.01 0.00 0.00 31.29 30.20 3hoj h VAL 12 CO -0.01 0.20 -0.09 0.58 -1.01 0.00 0.00 177.57 177.24 3hoj h VAL 13 N 0.40 1.29 -0.66 1.51 2.07 -0.82 -0.65 116.25 119.39 3hoj h VAL 13 Ca 0.09 -1.14 0.06 0.00 0.82 0.00 0.00 66.70 66.54 3hoj h VAL 13 Cb 0.22 1.49 -0.05 0.00 -1.52 0.00 0.00 31.29 31.43 3hoj h VAL 13 CO 0.00 0.36 0.36 1.56 0.02 0.00 0.00 177.57 179.87 3hoj h GLN 14 N 0.26 0.65 -0.66 1.57 4.20 -0.66 -0.90 115.11 119.57 3hoj h GLN 14 Ca 0.06 -0.04 0.07 0.00 0.06 0.00 0.00 58.65 58.80 3hoj h GLN 14 Cb 0.58 -0.15 -0.06 0.00 0.30 0.00 0.00 27.48 28.15 3hoj h GLN 14 CO 0.03 0.43 0.35 -0.07 -0.67 0.00 0.00 178.83 178.91 3hoj h LEU 15 N 0.67 0.51 -0.67 1.46 3.38 -0.95 -2.97 115.31 116.74 3hoj h LEU 15 Ca 0.29 0.04 -0.14 0.00 0.09 0.00 0.00 57.88 58.16 3hoj h LEU 15 Cb 0.18 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 40.87 3hoj h LEU 15 CO -0.18 0.32 -0.48 0.28 0.09 0.00 0.00 178.44 178.47 3hoj h SER 16 N 0.64 0.49 -0.50 -0.43 0.02 -0.36 -2.45 113.55 110.97 3hoj h SER 16 Ca 0.30 -0.24 0.06 0.00 -0.84 0.00 0.00 61.79 61.07 3hoj h SER 16 Cb 0.23 -0.14 -0.03 0.00 0.14 0.00 0.00 62.40 62.60 3hoj h SER 16 CO -0.20 0.89 0.33 -0.07 -1.14 0.00 0.00 176.83 176.64 3hoj h LEU 17 N 0.36 0.39 -0.52 5.07 3.38 -1.04 -2.51 115.31 120.44 3hoj h LEU 17 Ca 0.02 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.99 3hoj h LEU 17 Cb 0.98 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.64 3hoj h LEU 17 CO 0.09 0.26 -0.16 0.54 0.09 0.00 0.00 178.44 179.25 3hoj n ARG 18 N -4.47 0.98 -1.88 1.13 1.74 -0.95 -4.95 116.66 108.26 3hoj n ARG 18 Ca 0.06 -0.52 -0.42 0.00 -0.77 0.00 0.00 57.85 56.21 3hoj n ARG 18 Cb 0.23 -1.49 -0.03 0.00 -1.02 0.00 0.00 32.46 30.16 3hoj n ARG 18 CO 0.00 0.00 0.00 0.50 -1.52 0.00 0.00 177.63 176.61 3hoj s ARG 19 N -2.38 4.12 0.64 5.56 6.06 -0.95 -4.97 118.95 127.04 3hoj s ARG 19 Ca 0.29 2.31 -0.15 0.00 -2.50 0.00 0.00 55.73 55.67 3hoj s ARG 19 Cb 0.20 -4.06 -0.01 0.00 0.06 0.00 0.00 34.95 31.14 3hoj s ARG 19 CO 0.47 -0.94 1.10 -2.14 -2.50 0.00 0.00 175.30 171.29 3hoj s PRO 20 N 4.29 2.90 0.44 5.12 0.02 -1.26 -4.96 135.00 141.56 3hoj s PRO 20 Ca 0.79 1.37 -0.20 0.00 0.02 0.00 0.00 61.00 62.98 3hoj s PRO 20 Cb -0.36 -1.97 -0.10 0.00 0.02 0.00 0.00 34.50 32.09 3hoj s PRO 20 CO 0.34 -1.16 0.96 -1.54 -0.33 0.00 0.00 177.00 175.26 3hoj s SER 21 N -2.59 6.87 -0.20 2.53 1.04 -1.26 -5.04 113.70 115.05 3hoj s SER 21 Ca 0.67 1.69 -0.11 0.00 0.48 0.00 0.00 55.95 58.67 3hoj s SER 21 Cb -0.20 -2.54 -0.05 0.00 0.10 0.00 0.00 66.02 63.34 3hoj s SER 21 CO 0.40 -0.41 0.19 0.12 0.98 0.00 0.00 173.24 174.53 3hoj s PHE 22 N -2.22 3.40 -0.41 5.02 5.36 -1.26 -5.06 117.98 122.81 3hoj s PHE 22 Ca 0.62 0.40 -0.27 0.00 -0.96 0.00 0.00 56.93 56.71 3hoj s PHE 22 Cb -0.09 -2.25 0.02 0.00 -0.34 0.00 0.00 43.02 40.36 3hoj s PHE 22 CO 0.16 0.22 1.03 -0.98 -1.46 0.00 0.00 175.22 174.18 3hoj s ARG 23 N 0.56 3.81 -0.17 10.12 1.70 -1.26 -4.83 118.95 128.88 3hoj s ARG 23 Ca 0.11 0.62 -0.30 0.00 -0.47 0.00 0.00 55.73 55.69 3hoj s ARG 23 Cb -0.12 -3.84 0.13 0.00 -0.57 0.00 0.00 34.95 30.55 3hoj s ARG 23 CO 0.01 -1.11 0.99 0.00 -1.08 0.00 0.00 175.30 174.11 3hoj s ALA 24 N 3.86 -1.93 -0.20 7.88 0.00 -1.26 -5.11 121.76 125.00 3hoj s ALA 24 Ca 0.43 1.61 -0.03 0.00 0.00 0.00 0.00 51.96 53.96 3hoj s ALA 24 Cb -0.10 -0.76 -0.01 0.00 0.00 0.00 0.00 23.12 22.25 3hoj s ALA 24 CO 0.23 -0.30 -0.06 -1.12 0.00 0.00 0.00 175.76 174.51 3hoj s SER 25 N -0.99 4.27 0.08 0.00 0.01 -1.26 -4.76 113.70 111.05 3hoj s SER 25 Ca -0.02 -0.36 -0.31 0.00 1.31 0.00 0.00 55.95 56.57 3hoj s SER 25 Cb -0.01 -1.72 -0.09 0.00 0.21 0.00 0.00 66.02 64.42 3hoj s SER 25 CO 0.01 0.03 1.70 -0.60 0.41 0.00 0.00 173.24 174.79 3hoj s ARG 26 N 1.19 4.18 -0.40 12.44 3.52 -1.17 -4.92 118.95 133.78 3hoj s ARG 26 Ca 0.02 2.40 0.04 0.00 -0.13 0.00 0.00 55.73 58.06 3hoj s ARG 26 Cb -0.14 -3.61 0.46 0.00 -1.56 0.00 0.00 34.95 30.10 3hoj s ARG 26 CO -0.02 -0.76 1.47 1.04 -0.81 0.00 0.00 175.30 176.22 3hoj n GLN 27 N 5.66 3.18 -3.62 5.12 1.13 -1.26 -4.98 117.38 122.60 3hoj n GLN 27 Ca 0.16 -3.82 -0.12 0.00 -1.94 0.00 0.00 57.00 51.29 3hoj n GLN 27 Cb 0.40 -2.24 -0.07 0.00 0.11 0.00 0.00 30.24 28.44 3hoj n GLN 27 CO 0.00 0.00 0.00 0.50 -1.44 0.00 0.00 177.06 176.12 3hoj s ARG 28 N -3.64 0.66 0.83 -1.09 3.52 -1.26 -5.11 118.95 112.86 3hoj s ARG 28 Ca 0.55 0.69 -0.12 0.00 -0.13 0.00 0.00 55.73 56.72 3hoj s ARG 28 Cb 0.44 0.32 0.09 0.00 -1.56 0.00 0.00 34.95 34.24 3hoj s ARG 28 CO 0.02 -0.10 1.16 -1.25 -0.81 0.00 0.00 175.30 174.32 3hoj s PRO 29 N 0.11 1.78 -0.14 5.12 0.04 -1.26 -5.00 135.00 135.64 3hoj s PRO 29 Ca 0.01 0.20 -0.29 0.00 0.04 0.00 0.00 61.00 60.96 3hoj s PRO 29 Cb -0.04 -1.92 -0.01 0.00 0.04 0.00 0.00 34.50 32.57 3hoj s PRO 29 CO -0.02 -1.74 1.04 0.42 0.04 0.00 0.00 177.00 176.74 3hoj s ILE 30 N -3.46 4.70 -0.47 0.56 1.01 -1.26 -4.97 121.20 117.31 3hoj s ILE 30 Ca 0.62 1.99 -0.07 0.00 0.00 0.00 0.00 60.65 63.20 3hoj s ILE 30 Cb -0.12 -4.28 0.12 0.00 0.01 0.00 0.00 42.46 38.18 3hoj s ILE 30 CO 0.51 -0.06 0.31 -0.63 0.00 0.00 0.00 174.94 175.07 3hoj s ILE 31 N 2.46 3.90 -0.11 2.92 1.01 -1.26 -5.05 121.20 125.07 3hoj s ILE 31 Ca 0.48 -1.95 -0.33 0.00 0.00 0.00 0.00 60.65 58.85 3hoj s ILE 31 Cb -0.18 -3.60 -0.10 0.00 0.01 0.00 0.00 42.46 38.59 3hoj s ILE 31 CO 0.14 -0.76 1.99 -0.24 0.00 0.00 0.00 174.94 176.07 3hoj n SER 32 N 4.71 3.43 0.04 3.58 2.88 -1.26 -4.49 113.62 122.52 3hoj n SER 32 Ca -0.05 0.79 -0.13 0.00 -1.33 0.00 0.00 58.87 58.15 3hoj n SER 32 Cb 0.41 -1.42 -0.09 0.00 -0.75 0.00 0.00 64.21 62.36 3hoj n SER 32 CO 0.00 0.00 0.00 0.25 -1.23 0.00 0.00 175.04 174.06 3hoj h LEU 33 N 10.70 -0.09 -1.32 2.46 5.85 -1.92 -2.21 115.31 128.77 3hoj h LEU 33 Ca -0.46 -0.28 -0.02 0.00 0.84 0.00 0.00 57.88 57.96 3hoj h LEU 33 Cb 1.27 0.02 -0.02 0.00 0.37 0.00 0.00 40.66 42.30 3hoj h LEU 33 CO 0.96 0.23 0.19 -0.55 -0.34 0.00 0.00 178.44 178.93 3hoj h ASN 34 N -0.42 0.59 0.05 1.25 -0.00 -1.90 0.10 115.58 115.25 3hoj h ASN 34 Ca -0.01 -0.06 -0.20 0.00 -0.00 0.00 0.00 56.30 56.03 3hoj h ASN 34 Cb 0.36 -0.15 0.00 0.00 -0.00 0.00 0.00 38.32 38.53 3hoj h ASN 34 CO 0.02 0.53 -0.71 -0.33 -0.00 0.00 0.00 177.43 176.94 3hoj h GLU 35 N 0.65 0.60 -0.05 4.14 5.08 -1.97 -2.20 114.58 120.84 3hoj h GLU 35 Ca 0.16 -0.46 -0.08 0.00 -1.00 0.00 0.00 59.36 57.98 3hoj h GLU 35 Cb 0.12 0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.45 3hoj h GLU 35 CO -0.02 1.09 -0.34 -0.09 -1.00 0.00 0.00 179.01 178.65 3hoj h ARG 36 N 0.42 0.10 -0.42 2.33 2.43 -1.00 -1.34 114.38 116.89 3hoj h ARG 36 Ca -0.03 -0.04 -0.02 0.00 -0.81 0.00 0.00 59.98 59.09 3hoj h ARG 36 Cb 1.30 -0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 30.83 3hoj h ARG 36 CO 0.14 0.43 0.19 0.82 -1.51 0.00 0.00 179.97 180.04 3hoj h ILE 37 N 0.09 1.18 -0.67 1.20 2.04 -0.83 -1.61 117.51 118.91 3hoj h ILE 37 Ca 0.01 -0.54 0.00 0.00 1.00 0.00 0.00 64.86 65.33 3hoj h ILE 37 Cb 0.65 0.76 -0.03 0.00 -0.74 0.00 0.00 36.82 37.45 3hoj h ILE 37 CO 0.05 0.20 0.43 -0.07 0.00 0.00 0.00 178.15 178.76 3hoj h LEU 38 N 0.54 0.78 -0.88 1.44 -0.00 -1.06 -0.27 115.31 115.85 3hoj h LEU 38 Ca 0.14 -0.04 -0.01 0.00 -0.00 0.00 0.00 57.88 57.97 3hoj h LEU 38 Cb 0.14 -0.20 -0.04 0.00 -0.00 0.00 0.00 40.66 40.56 3hoj h LEU 38 CO -0.02 0.58 0.49 -0.33 -0.00 0.00 0.00 178.44 179.17 3hoj h GLU 39 N 0.91 1.22 -0.32 1.13 3.07 -1.18 -1.10 114.58 118.32 3hoj h GLU 39 Ca 0.24 -0.14 -0.01 0.00 -0.50 0.00 0.00 59.36 58.95 3hoj h GLU 39 Cb -0.08 -0.24 -0.01 0.00 -0.84 0.00 0.00 28.75 27.58 3hoj h GLU 39 CO -0.05 0.89 0.15 0.74 -1.40 0.00 0.00 179.01 179.34 3hoj h PHE 40 N 1.23 0.46 -0.15 4.33 -1.00 -0.81 -1.56 116.94 119.44 3hoj h PHE 40 Ca 0.31 -0.02 0.05 0.00 2.81 0.00 0.00 57.97 61.12 3hoj h PHE 40 Cb 0.01 -0.14 -0.06 0.00 3.61 0.00 0.00 35.95 39.37 3hoj h PHE 40 CO 0.01 0.41 -0.28 -0.91 -1.61 0.00 0.00 178.31 175.93 3hoj h ASN 41 N 0.37 -0.86 -0.35 2.17 2.35 -0.83 0.05 115.58 118.47 3hoj h ASN 41 Ca 0.11 0.14 0.04 0.00 -0.55 0.00 0.00 56.30 56.04 3hoj h ASN 41 Cb 0.12 0.38 -0.02 0.00 0.05 0.00 0.00 38.32 38.85 3hoj h ASN 41 CO -0.01 -0.32 0.24 0.11 -1.65 0.00 0.00 177.43 175.79 3hoj h LYS 42 N -0.34 0.29 -0.33 0.81 6.56 -1.13 -1.93 116.57 120.50 3hoj h LYS 42 Ca 0.11 -0.02 0.00 0.00 -1.06 0.00 0.00 60.65 59.68 3hoj h LYS 42 Cb 0.50 -0.07 0.00 0.00 -0.57 0.00 0.00 32.23 32.09 3hoj h LYS 42 CO -0.34 0.19 0.00 2.89 -2.06 0.00 0.00 179.45 180.13 3hoj n ARG 43 N -4.48 2.07 -1.64 3.15 -4.01 -0.59 -4.95 116.66 106.20 3hoj n ARG 43 Ca 0.04 -1.63 -0.16 0.00 -1.04 0.00 0.00 57.85 55.06 3hoj n ARG 43 Cb 0.21 -1.42 -0.05 0.00 -3.04 0.00 0.00 32.46 28.15 3hoj n ARG 43 CO 0.00 0.00 0.00 0.09 -3.04 0.00 0.00 177.63 174.68 3hoj n ASN 44 N 0.83 -4.85 -4.66 2.89 3.02 -0.17 -5.00 115.26 107.33 3hoj n ASN 44 Ca 0.17 0.30 -0.38 0.00 -0.03 0.00 0.00 54.58 54.64 3hoj n ASN 44 Cb 0.43 -3.78 -0.08 0.00 -0.61 0.00 0.00 39.78 35.73 3hoj n ASN 44 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 3hoj s ILE 45 N -2.63 5.25 0.07 2.41 1.01 -0.21 -5.01 121.20 122.09 3hoj s ILE 45 Ca 0.00 0.53 -0.33 0.00 0.00 0.00 0.00 60.65 60.86 3hoj s ILE 45 Cb 0.00 -3.66 -0.12 0.00 0.01 0.00 0.00 42.46 38.69 3hoj s ILE 45 CO 0.00 0.27 1.78 0.41 0.00 0.00 0.00 174.94 177.40 3hoj n THR 46 N 4.39 0.34 -3.41 2.92 -1.04 -1.26 -4.24 114.28 111.97 3hoj n THR 46 Ca -0.10 -0.06 -0.44 0.00 -2.04 0.00 0.00 64.05 61.41 3hoj n THR 46 Cb 0.51 -1.89 -0.08 0.00 -1.82 0.00 0.00 70.33 67.06 3hoj n THR 46 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3hoj s ALA 47 N 2.69 3.53 -0.19 2.41 0.00 -1.26 -4.81 121.76 124.13 3hoj s ALA 47 Ca 0.85 -2.07 -0.07 0.00 0.00 0.00 0.00 51.96 50.67 3hoj s ALA 47 Cb -0.60 -3.02 -0.04 0.00 0.00 0.00 0.00 23.12 19.46 3hoj s ALA 47 CO 0.42 -1.69 0.04 0.42 0.00 0.00 0.00 175.76 174.95 3hoj s ILE 48 N 1.63 4.51 -0.43 0.00 -1.09 -1.26 -1.52 121.20 123.04 3hoj s ILE 48 Ca 0.04 -0.13 -0.18 0.00 -2.23 0.00 0.00 60.65 58.15 3hoj s ILE 48 Cb -0.24 -3.04 0.03 0.00 -1.58 0.00 0.00 42.46 37.63 3hoj s ILE 48 CO 0.07 0.44 0.49 -0.63 -1.23 0.00 0.00 174.94 174.07 3hoj s ILE 49 N 0.61 5.03 -0.25 2.92 1.01 0.15 -1.38 121.20 129.29 3hoj s ILE 49 Ca 0.02 -0.30 -0.22 0.00 0.00 0.00 0.00 60.65 60.15 3hoj s ILE 49 Cb -0.13 -4.09 -0.01 0.00 0.01 0.00 0.00 42.46 38.23 3hoj s ILE 49 CO 0.02 -0.49 0.71 0.00 0.00 0.00 0.00 174.94 175.18 3hoj s ALA 50 N 2.28 3.62 -0.02 9.38 0.00 -0.71 -1.16 121.76 135.15 3hoj s ALA 50 Ca 0.14 -0.30 -0.10 0.00 0.00 0.00 0.00 51.96 51.69 3hoj s ALA 50 Cb -0.17 -3.13 -0.05 0.00 0.00 0.00 0.00 23.12 19.77 3hoj s ALA 50 CO 0.14 -0.84 0.31 0.20 0.00 0.00 0.00 175.76 175.57 3hoj s GLY 51 N 1.40 2.33 -0.22 0.00 0.00 -0.04 -0.90 107.32 109.90 3hoj s GLY 51 Ca 0.30 -0.42 -0.05 0.00 0.00 0.00 0.00 44.72 44.55 3hoj s GLY 51 CO 0.08 -0.14 -0.02 -0.47 0.00 0.00 0.00 173.10 172.55 3hoj s TYR 52 N -1.15 2.99 -0.16 1.90 6.14 0.18 -4.59 117.35 122.65 3hoj s TYR 52 Ca 0.23 -0.76 -0.00 0.00 0.64 0.00 0.00 57.07 57.18 3hoj s TYR 52 Cb -0.14 -2.12 0.04 0.00 0.42 0.00 0.00 41.96 40.16 3hoj s TYR 52 CO 0.12 -0.46 -0.06 -0.51 0.64 0.00 0.00 175.55 175.28 3hoj s ASP 53 N 1.41 2.82 0.09 4.32 1.01 -1.26 -2.24 116.67 122.82 3hoj s ASP 53 Ca 0.05 -0.65 -0.23 0.00 0.71 0.00 0.00 52.55 52.42 3hoj s ASP 53 Cb -0.14 -0.92 -0.14 0.00 1.01 0.00 0.00 42.92 42.72 3hoj s ASP 53 CO -0.01 -0.18 1.73 -0.09 0.21 0.00 0.00 175.17 176.83 3hoj h ARG 54 N 8.12 -0.04 -4.84 8.23 1.12 -1.84 -3.44 114.38 121.68 3hoj h ARG 54 Ca -0.25 0.00 -0.32 0.00 -1.11 0.00 0.00 59.98 58.31 3hoj h ARG 54 Cb 1.11 0.01 -0.15 0.00 -0.01 0.00 0.00 29.97 30.93 3hoj h ARG 54 CO 0.40 -0.02 -0.64 0.15 -3.11 0.00 0.00 179.97 176.75 3hoj s LYS 55 N -6.19 1.25 0.09 0.20 1.02 -0.72 -2.45 119.74 112.95 3hoj s LYS 55 Ca -0.13 -1.64 0.05 0.00 0.02 0.00 0.00 55.97 54.27 3hoj s LYS 55 Cb 0.06 -0.27 -0.03 0.00 -0.52 0.00 0.00 37.83 37.07 3hoj s LYS 55 CO 0.66 -0.21 -0.13 -1.54 -0.92 0.00 0.00 175.35 173.22 3hoj s SER 56 N -3.24 1.69 0.52 2.83 1.04 -0.97 -4.32 113.70 111.25 3hoj s SER 56 Ca 0.30 -0.73 0.34 0.00 0.48 0.00 0.00 55.95 56.35 3hoj s SER 56 Cb 0.07 -0.04 1.87 0.00 0.10 0.00 0.00 66.02 68.02 3hoj s SER 56 CO 0.09 -0.15 2.05 1.55 0.98 0.00 0.00 173.24 177.76 3hoj h PRO 57 N 3.86 0.00 -0.44 4.02 0.13 -1.84 -1.63 132.00 136.10 3hoj h PRO 57 Ca -0.39 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.74 3hoj h PRO 57 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 3hoj h PRO 57 CO 0.47 0.00 0.00 -1.13 -0.23 0.00 0.00 178.00 177.11 3hoj n SER 58 N -2.72 2.19 0.00 1.44 3.41 -1.26 -4.91 113.62 111.77 3hoj n SER 58 Ca -0.02 -2.08 0.00 0.00 -0.26 0.00 0.00 58.87 56.51 3hoj n SER 58 Cb 0.07 -0.30 0.00 0.00 -0.26 0.00 0.00 64.21 63.72 3hoj n SER 58 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3hoj n GLY 59 N 0.95 0.95 3.74 5.00 0.00 -0.62 -5.07 105.19 110.15 3hoj n GLY 59 Ca 0.12 -0.06 -0.41 0.00 0.00 0.00 0.00 46.02 45.67 3hoj n GLY 59 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3hoj s LEU 60 N 0.00 4.42 -0.33 0.99 2.96 -1.22 -4.89 118.68 120.60 3hoj s LEU 60 Ca 0.00 2.42 0.03 0.00 -0.22 0.00 0.00 54.13 56.35 3hoj s LEU 60 Cb 0.00 -3.61 0.16 0.00 0.50 0.00 0.00 46.19 43.23 3hoj s LEU 60 CO 0.00 -0.53 0.40 -0.62 -1.32 0.00 0.00 176.35 174.28 3hoj s ASP 61 N 0.31 0.75 -0.25 3.68 2.15 -1.26 -2.29 116.67 119.76 3hoj s ASP 61 Ca 0.56 -0.98 0.00 0.00 0.43 0.00 0.00 52.55 52.57 3hoj s ASP 61 Cb -0.37 0.86 0.07 0.00 -0.30 0.00 0.00 42.92 43.18 3hoj s ASP 61 CO 0.39 -0.30 -0.00 -0.69 -0.17 0.00 0.00 175.17 174.39 3hoj s VAL 62 N 1.99 1.30 0.13 1.11 1.01 -1.02 -5.06 120.40 119.85 3hoj s VAL 62 Ca 0.13 -1.22 -0.30 0.00 0.00 0.00 0.00 61.98 60.59 3hoj s VAL 62 Cb -0.13 -1.71 -0.06 0.00 0.00 0.00 0.00 36.38 34.48 3hoj s VAL 62 CO -0.18 -0.26 1.06 -1.83 0.00 0.00 0.00 175.10 173.90 3hoj s GLU 63 N 1.48 4.60 0.00 2.72 -1.05 -1.26 -4.75 118.70 120.43 3hoj s GLU 63 Ca -0.01 1.63 0.00 0.00 -0.15 0.00 0.00 54.97 56.44 3hoj s GLU 63 Cb -0.18 -3.33 0.00 0.00 -0.44 0.00 0.00 34.13 30.18 3hoj s GLU 63 CO -0.10 0.06 0.00 -2.13 0.95 0.00 0.00 175.26 174.05 3hoj n ARG 64 N 2.81 0.00 -1.97 -4.83 0.63 -1.26 -5.13 116.66 106.91 3hoj n ARG 64 Ca 0.04 0.00 -0.42 0.00 -0.92 0.00 0.00 57.85 56.54 3hoj n ARG 64 Cb 0.47 0.00 -0.03 0.00 0.45 0.00 0.00 32.46 33.36 3hoj n ARG 64 CO 0.00 0.00 0.00 0.34 -2.51 0.00 0.00 177.63 175.46 3hoj s ASP 65 N 0.00 6.64 0.35 6.15 2.15 -1.26 -4.89 116.67 125.81 3hoj s ASP 65 Ca 0.00 2.35 0.13 0.00 0.43 0.00 0.00 52.55 55.45 3hoj s ASP 65 Cb 0.00 -2.55 0.63 0.00 -0.30 0.00 0.00 42.92 40.70 3hoj s ASP 65 CO 0.00 -0.91 1.77 1.55 -0.17 0.00 0.00 175.17 177.41 3hoj h PRO 66 N 9.07 0.00 0.05 4.34 0.13 -1.99 -1.12 132.00 142.48 3hoj h PRO 66 Ca -0.41 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.72 3hoj h PRO 66 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 3hoj h PRO 66 CO 0.94 0.44 -0.02 0.82 -0.23 0.00 0.00 178.00 179.94 3hoj h ILE 67 N 0.00 1.18 -0.54 -3.56 1.08 -1.95 -1.92 117.51 111.80 3hoj h ILE 67 Ca -0.00 -0.78 -0.10 0.00 -0.39 0.00 0.00 64.86 63.59 3hoj h ILE 67 Cb 0.79 1.69 -0.02 0.00 -3.07 0.00 0.00 36.82 36.21 3hoj h ILE 67 CO 0.06 0.20 -0.04 -0.33 -0.69 0.00 0.00 178.15 177.34 3hoj h GLU 68 N -0.41 0.96 -0.56 2.37 4.39 -1.95 -1.62 114.58 117.76 3hoj h GLU 68 Ca -0.01 -0.31 0.02 0.00 0.34 0.00 0.00 59.36 59.41 3hoj h GLU 68 Cb 0.37 -0.08 -0.03 0.00 -0.10 0.00 0.00 28.75 28.90 3hoj h GLU 68 CO 0.01 0.97 0.34 -0.92 -1.16 0.00 0.00 179.01 178.25 3hoj h TYR 69 N 0.87 0.64 -0.15 4.33 5.03 -1.25 -1.69 116.97 124.75 3hoj h TYR 69 Ca 0.15 0.02 -0.06 0.00 2.58 0.00 0.00 58.73 61.42 3hoj h TYR 69 Cb 0.57 -0.21 -0.00 0.00 1.55 0.00 0.00 36.73 38.64 3hoj h TYR 69 CO 0.04 0.37 -0.16 0.77 -1.32 0.00 0.00 178.16 177.86 3hoj h SER 70 N 0.68 0.40 -0.81 -2.11 0.02 -1.12 -0.75 113.55 109.87 3hoj h SER 70 Ca 0.22 -0.48 0.03 0.00 -0.84 0.00 0.00 61.79 60.72 3hoj h SER 70 Cb 0.00 -0.11 -0.04 0.00 0.14 0.00 0.00 62.40 62.38 3hoj h SER 70 CO -0.09 0.80 0.53 0.11 -1.14 0.00 0.00 176.83 177.05 3hoj h LYS 71 N 0.01 0.98 -0.21 3.45 1.57 -1.30 0.40 116.57 121.48 3hoj h LYS 71 Ca 0.02 -0.06 -0.03 0.00 -1.87 0.00 0.00 60.65 58.71 3hoj h LYS 71 Cb 0.69 -0.22 -0.01 0.00 0.08 0.00 0.00 32.23 32.77 3hoj h LYS 71 CO 0.04 0.65 0.01 0.35 -0.57 0.00 0.00 179.45 179.92 3hoj h PHE 72 N 1.01 0.39 -0.02 -1.35 3.57 -1.23 -3.22 116.94 116.09 3hoj h PHE 72 Ca 0.32 -0.07 -0.09 0.00 3.53 0.00 0.00 57.97 61.66 3hoj h PHE 72 Cb 0.01 -0.10 -0.01 0.00 2.79 0.00 0.00 35.95 38.64 3hoj h PHE 72 CO -0.00 0.54 -0.40 0.52 -2.23 0.00 0.00 178.31 176.74 3hoj h MET 73 N 0.13 0.04 -0.57 1.11 2.86 -0.46 -3.01 114.93 115.03 3hoj h MET 73 Ca 0.06 -0.02 0.17 0.00 -2.06 0.00 0.00 59.70 57.85 3hoj h MET 73 Cb 0.38 -0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.02 3hoj h MET 73 CO 0.01 0.44 0.46 1.49 1.06 0.00 0.00 176.91 180.37 3hoj h GLU 74 N 0.04 0.00 0.00 1.72 4.81 -0.23 0.73 114.58 121.65 3hoj h GLU 74 Ca 0.00 0.00 -0.10 0.00 -0.13 0.00 0.00 59.36 59.14 3hoj h GLU 74 Cb 0.73 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.09 3hoj h GLU 74 CO 0.05 0.00 -0.46 0.00 -0.73 0.00 0.00 179.01 177.88 3hoj h ARG 75 N 0.00 0.00 0.00 1.92 3.08 -1.65 -3.38 114.38 114.35 3hoj h ARG 75 Ca 0.27 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.32 3hoj h ARG 75 Cb 1.19 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.24 3hoj h ARG 75 CO -0.00 0.46 -0.94 0.66 -1.07 0.00 0.00 179.97 179.08 3hoj n TYR 76 N -3.78 0.00 -3.22 3.04 4.02 -0.55 -5.06 117.16 111.61 3hoj n TYR 76 Ca -0.01 0.00 -0.35 0.00 -0.01 0.00 0.00 57.90 57.53 3hoj n TYR 76 Cb 0.51 0.00 -0.06 0.00 -0.02 0.00 0.00 39.34 39.77 3hoj n TYR 76 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 3hoj s ALA 77 N -1.91 3.46 0.29 -0.72 0.00 0.14 -4.71 121.76 118.32 3hoj s ALA 77 Ca 0.00 0.01 0.12 0.00 0.00 0.00 0.00 51.96 52.09 3hoj s ALA 77 Cb 0.00 -2.68 0.51 0.00 0.00 0.00 0.00 23.12 20.95 3hoj s ALA 77 CO 0.00 0.38 1.69 -0.24 0.00 0.00 0.00 175.76 177.60 3hoj h VAL 78 N 2.56 1.33 -2.27 0.00 3.04 -1.54 -3.46 116.25 115.91 3hoj h VAL 78 Ca -0.48 -1.79 0.17 0.00 -1.01 0.00 0.00 66.70 63.58 3hoj h VAL 78 Cb 1.19 1.98 -0.10 0.00 -2.01 0.00 0.00 31.29 32.34 3hoj h VAL 78 CO 0.66 0.51 0.51 -0.83 -1.01 0.00 0.00 177.57 177.40 3hoj s GLY 79 N -4.40 -0.31 0.02 3.17 0.00 -1.22 -4.34 107.32 100.23 3hoj s GLY 79 Ca -0.02 0.43 0.04 0.00 0.00 0.00 0.00 44.72 45.17 3hoj s GLY 79 CO 0.74 0.11 -0.06 1.08 0.00 0.00 0.00 173.10 174.98 3hoj s LEU 80 N -2.80 3.21 -0.24 0.66 1.43 0.21 -1.74 118.68 119.41 3hoj s LEU 80 Ca 0.10 -0.16 0.03 0.00 -1.03 0.00 0.00 54.13 53.07 3hoj s LEU 80 Cb -0.01 -1.87 0.05 0.00 0.03 0.00 0.00 46.19 44.40 3hoj s LEU 80 CO -0.02 0.26 -0.13 -0.55 0.23 0.00 0.00 176.35 176.15 3hoj s SER 81 N -1.57 4.19 -0.27 2.29 0.15 -0.07 0.07 113.70 118.48 3hoj s SER 81 Ca 0.18 -1.24 -0.05 0.00 0.70 0.00 0.00 55.95 55.54 3hoj s SER 81 Cb -0.11 -1.54 0.01 0.00 -1.71 0.00 0.00 66.02 62.67 3hoj s SER 81 CO 0.09 -0.15 0.02 -0.63 1.20 0.00 0.00 173.24 173.77 3hoj s ILE 82 N 1.14 3.57 -0.18 6.45 -1.09 -0.38 -0.65 121.20 130.06 3hoj s ILE 82 Ca -0.06 -0.76 -0.25 0.00 -2.23 0.00 0.00 60.65 57.35 3hoj s ILE 82 Cb -0.19 -2.81 -0.01 0.00 -1.58 0.00 0.00 42.46 37.87 3hoj s ILE 82 CO -0.07 0.16 0.81 0.42 -1.23 0.00 0.00 174.94 175.04 3hoj s THR 83 N 1.44 4.89 -1.48 2.92 -4.23 -0.95 -0.28 115.64 117.94 3hoj s THR 83 Ca 0.02 1.58 0.13 0.00 -1.18 0.00 0.00 61.69 62.25 3hoj s THR 83 Cb -0.17 -4.12 0.21 0.00 1.34 0.00 0.00 72.50 69.76 3hoj s THR 83 CO -0.00 0.02 1.07 0.35 -0.54 0.00 0.00 174.62 175.52 3hoj n THR 84 N 4.81 0.38 -2.26 3.99 -2.24 -0.61 -4.20 114.28 114.15 3hoj n THR 84 Ca 0.04 -0.69 -0.42 0.00 -2.27 0.00 0.00 64.05 60.71 3hoj n THR 84 Cb 0.49 0.99 -0.03 0.00 -2.10 0.00 0.00 70.33 69.67 3hoj n THR 84 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 3hoj s GLU 85 N -1.08 4.34 -0.16 -0.78 2.56 -1.26 -3.75 118.70 118.57 3hoj s GLU 85 Ca 0.21 1.95 -0.26 0.00 0.00 0.00 0.00 54.97 56.86 3hoj s GLU 85 Cb 0.13 -3.36 -0.24 0.00 2.00 0.00 0.00 34.13 32.65 3hoj s GLU 85 CO 0.18 -0.42 0.60 1.05 -0.56 0.00 0.00 175.26 176.11 3hoj h GLU 86 N 7.06 0.01 0.08 4.30 -0.00 -1.93 -0.61 114.58 123.49 3hoj h GLU 86 Ca -0.41 -0.02 -0.00 0.00 -0.00 0.00 0.00 59.36 58.93 3hoj h GLU 86 Cb 1.20 0.01 0.00 0.00 -0.00 0.00 0.00 28.75 29.96 3hoj h GLU 86 CO 0.86 1.01 -0.04 -0.22 -0.00 0.00 0.00 179.01 180.62 3hoj h LYS 87 N -0.97 -0.10 0.00 1.06 3.64 -1.92 -1.95 116.57 116.32 3hoj h LYS 87 Ca -0.12 0.01 -0.05 0.00 -1.27 0.00 0.00 60.65 59.22 3hoj h LYS 87 Cb 1.12 0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.96 3hoj h LYS 87 CO -0.06 0.37 -1.14 0.66 -2.27 0.00 0.00 179.45 177.01 3hoj n TYR 88 N -4.90 0.96 0.13 1.91 4.02 -1.26 -4.37 117.16 113.66 3hoj n TYR 88 Ca -0.08 0.29 0.02 0.00 -0.01 0.00 0.00 57.90 58.11 3hoj n TYR 88 Cb 0.26 -0.99 0.01 0.00 -0.02 0.00 0.00 39.34 38.60 3hoj n TYR 88 CO 0.00 0.00 0.00 1.19 -1.01 0.00 0.00 176.86 177.04 3hoj n PHE 89 N -2.73 0.00 -2.26 -0.72 3.01 -1.23 -2.56 117.46 110.97 3hoj n PHE 89 Ca -0.03 0.00 -0.16 0.00 1.01 0.00 0.00 57.45 58.27 3hoj n PHE 89 Cb 0.63 0.00 -0.02 0.00 -0.01 0.00 0.00 39.48 40.08 3hoj n PHE 89 CO 0.00 0.00 0.00 0.09 1.01 0.00 0.00 176.76 177.86 3hoj n ASN 90 N 0.12 -4.68 -4.62 4.37 4.13 -0.73 -1.75 115.26 112.10 3hoj n ASN 90 Ca 0.02 0.15 -0.27 0.00 1.68 0.00 0.00 54.58 56.17 3hoj n ASN 90 Cb 0.08 -3.98 0.11 0.00 -1.54 0.00 0.00 39.78 34.45 3hoj n ASN 90 CO 0.00 0.00 0.00 -0.83 0.28 0.00 0.00 177.26 176.71 3hoj s GLY 91 N -2.09 1.73 -0.00 7.41 0.00 -0.24 -4.72 107.32 109.41 3hoj s GLY 91 Ca 0.00 -1.19 -0.27 0.00 0.00 0.00 0.00 44.72 43.26 3hoj s GLY 91 CO 0.00 -0.63 0.60 -1.35 0.00 0.00 0.00 173.10 171.72 3hoj s SER 92 N -4.69 -0.56 0.37 1.64 1.04 -1.25 -4.14 113.70 106.12 3hoj s SER 92 Ca 0.66 0.46 0.05 0.00 0.48 0.00 0.00 55.95 57.60 3hoj s SER 92 Cb -0.07 0.52 0.74 0.00 0.10 0.00 0.00 66.02 67.31 3hoj s SER 92 CO 0.47 -0.66 2.00 1.88 0.98 0.00 0.00 173.24 177.91 3hoj h TYR 93 N 2.91 0.71 -0.03 5.02 0.99 -1.95 -3.03 116.97 121.59 3hoj h TYR 93 Ca -0.29 0.02 -0.14 0.00 2.00 0.00 0.00 58.73 60.32 3hoj h TYR 93 Cb 1.18 -0.24 -0.02 0.00 1.00 0.00 0.00 36.73 38.66 3hoj h TYR 93 CO 0.37 0.41 -0.62 0.93 -0.00 0.00 0.00 178.16 179.25 3hoj h GLU 94 N 0.73 0.12 -0.36 4.88 5.08 -1.98 -1.83 114.58 121.22 3hoj h GLU 94 Ca 0.25 -0.09 -0.02 0.00 -1.00 0.00 0.00 59.36 58.51 3hoj h GLU 94 Cb 0.09 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.34 3hoj h GLU 94 CO -0.07 0.70 0.15 1.15 -1.00 0.00 0.00 179.01 179.95 3hoj h THR 95 N 0.09 1.18 -0.63 1.13 2.02 -1.95 -2.12 112.91 112.63 3hoj h THR 95 Ca -0.01 -0.54 -0.02 0.00 0.77 0.00 0.00 66.41 66.61 3hoj h THR 95 Cb 1.12 0.87 -0.03 0.00 -1.74 0.00 0.00 68.15 68.37 3hoj h THR 95 CO 0.09 0.20 0.31 0.25 0.37 0.00 0.00 175.52 176.74 3hoj h LEU 96 N 0.44 0.82 -0.28 2.58 5.85 -1.38 -1.94 115.31 121.40 3hoj h LEU 96 Ca 0.12 -0.12 0.01 0.00 0.84 0.00 0.00 57.88 58.72 3hoj h LEU 96 Cb 0.16 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 40.97 3hoj h LEU 96 CO -0.01 0.71 0.17 -0.09 -0.34 0.00 0.00 178.44 178.88 3hoj h ARG 97 N 0.87 0.34 -0.53 1.25 2.43 -1.28 0.14 114.38 117.60 3hoj h ARG 97 Ca 0.22 -0.02 0.03 0.00 -0.81 0.00 0.00 59.98 59.40 3hoj h ARG 97 Cb 0.10 -0.08 -0.04 0.00 -0.42 0.00 0.00 29.97 29.54 3hoj h ARG 97 CO -0.03 0.23 0.31 0.87 -1.51 0.00 0.00 179.97 179.84 3hoj h LYS 98 N 0.35 0.59 -0.39 0.20 1.57 -1.21 -1.94 116.57 115.75 3hoj h LYS 98 Ca 0.10 -0.04 -0.13 0.00 -1.87 0.00 0.00 60.65 58.71 3hoj h LYS 98 Cb -0.02 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.14 3hoj h LYS 98 CO -0.04 0.39 -0.28 0.82 -0.57 0.00 0.00 179.45 179.78 3hoj h ILE 99 N 0.61 1.28 -0.39 1.86 2.04 -1.18 -3.03 117.51 118.70 3hoj h ILE 99 Ca 0.22 -1.44 -0.02 0.00 1.00 0.00 0.00 64.86 64.62 3hoj h ILE 99 Cb 0.05 1.35 -0.02 0.00 -0.74 0.00 0.00 36.82 37.46 3hoj h ILE 99 CO -0.11 0.48 0.16 0.00 0.00 0.00 0.00 178.15 178.68 3hoj h ALA 100 N 0.79 1.57 0.00 1.87 0.00 -0.73 -0.44 119.26 122.32 3hoj h ALA 100 Ca 0.08 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.89 3hoj h ALA 100 Cb 0.86 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.49 3hoj h ALA 100 CO 0.08 0.34 0.00 0.77 0.00 0.00 0.00 179.25 180.44 3hoj h SER 101 N 0.54 0.00 0.00 0.00 0.02 -1.32 -3.33 113.55 109.46 3hoj h SER 101 Ca 0.14 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.09 3hoj h SER 101 Cb 0.10 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.64 3hoj h SER 101 CO -0.02 0.00 -1.16 -1.20 -1.14 0.00 0.00 176.83 173.32 3hoj n SER 102 N -2.61 0.95 -4.15 3.07 7.64 -0.23 -5.00 113.62 113.28 3hoj n SER 102 Ca 0.02 -0.52 -0.17 0.00 1.01 0.00 0.00 58.87 59.21 3hoj n SER 102 Cb 0.31 1.30 -0.12 0.00 -1.01 0.00 0.00 64.21 64.69 3hoj n SER 102 CO 0.00 0.00 0.00 0.68 -3.01 0.00 0.00 175.04 172.71 3hoj s VAL 103 N -2.76 0.99 -0.61 0.44 -7.23 -0.84 -4.89 120.40 105.49 3hoj s VAL 103 Ca 0.01 -1.25 0.14 0.00 -1.81 0.00 0.00 61.98 59.08 3hoj s VAL 103 Cb 0.11 -0.97 0.45 0.00 0.56 0.00 0.00 36.38 36.54 3hoj s VAL 103 CO 0.67 -0.25 1.37 -1.20 -0.31 0.00 0.00 175.10 175.38 3hoj n SER 104 N 1.34 3.57 -4.91 4.85 7.64 -1.26 -4.86 113.62 119.99 3hoj n SER 104 Ca -0.21 -2.50 -0.21 0.00 1.01 0.00 0.00 58.87 56.96 3hoj n SER 104 Cb 0.54 -0.41 -0.03 0.00 -1.01 0.00 0.00 64.21 63.31 3hoj n SER 104 CO 0.00 0.00 0.00 0.27 -3.01 0.00 0.00 175.04 172.30 3hoj s ILE 105 N -1.91 4.32 0.36 0.44 -4.36 -1.26 -5.06 121.20 113.73 3hoj s ILE 105 Ca 0.35 -1.18 -0.28 0.00 -0.26 0.00 0.00 60.65 59.27 3hoj s ILE 105 Cb 0.24 -3.46 -0.12 0.00 1.25 0.00 0.00 42.46 40.37 3hoj s ILE 105 CO 0.14 -0.25 1.41 -2.65 0.24 0.00 0.00 174.94 173.83 3hoj n PRO 106 N -1.41 2.43 -4.75 0.37 -0.02 -1.26 -4.81 135.00 125.55 3hoj n PRO 106 Ca -0.05 0.85 -0.31 0.00 -2.02 0.00 0.00 63.50 61.98 3hoj n PRO 106 Cb 0.58 -2.52 -0.17 0.00 -0.02 0.00 0.00 33.50 31.37 3hoj n PRO 106 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 3hoj s ILE 107 N -1.04 1.84 -0.22 4.25 1.01 -1.26 -0.62 121.20 125.16 3hoj s ILE 107 Ca 0.55 -0.86 -0.11 0.00 0.00 0.00 0.00 60.65 60.23 3hoj s ILE 107 Cb -0.52 -1.63 -0.05 0.00 0.01 0.00 0.00 42.46 40.27 3hoj s ILE 107 CO 0.62 0.51 0.17 -0.22 0.00 0.00 0.00 174.94 176.03 3hoj s LEU 108 N 0.73 4.15 -0.35 2.97 2.96 0.11 -0.16 118.68 129.10 3hoj s LEU 108 Ca -0.11 0.19 -0.29 0.00 -0.22 0.00 0.00 54.13 53.71 3hoj s LEU 108 Cb -0.16 -2.14 0.02 0.00 0.50 0.00 0.00 46.19 44.41 3hoj s LEU 108 CO 0.01 0.09 1.08 -0.32 -1.32 0.00 0.00 176.35 175.90 3hoj s MET 109 N 0.83 4.00 -0.41 1.98 -2.45 0.06 -1.24 119.30 122.06 3hoj s MET 109 Ca 0.09 0.97 -0.16 0.00 -1.25 0.00 0.00 55.69 55.34 3hoj s MET 109 Cb -0.13 -3.77 0.02 0.00 1.25 0.00 0.00 34.83 32.20 3hoj s MET 109 CO 0.03 -0.99 0.34 0.00 1.05 0.00 0.00 175.02 175.45 3hoj s ALA 110 N 3.80 3.46 0.01 4.11 0.00 0.61 -3.87 121.76 129.88 3hoj s ALA 110 Ca 0.46 -1.63 -0.00 0.00 0.00 0.00 0.00 51.96 50.78 3hoj s ALA 110 Cb -0.11 -2.94 0.00 0.00 0.00 0.00 0.00 23.12 20.07 3hoj s ALA 110 CO 0.18 -1.48 0.01 -3.47 0.00 0.00 0.00 175.76 171.01 3hoj n ASP 111 N 5.31 -0.04 -4.18 0.00 4.64 -1.26 -1.58 116.55 119.44 3hoj n ASP 111 Ca -0.10 -1.03 -0.40 0.00 -1.38 0.00 0.00 54.79 51.88 3hoj n ASP 111 Cb 0.47 0.06 -0.07 0.00 -1.04 0.00 0.00 41.12 40.54 3hoj n ASP 111 CO 0.00 0.00 0.00 -0.36 -0.82 0.00 0.00 177.20 176.02 3hoj s PHE 112 N -7.42 3.53 -0.27 -0.67 0.40 -1.26 -4.87 117.98 107.42 3hoj s PHE 112 Ca 0.00 -2.41 -0.25 0.00 -0.60 0.00 0.00 56.93 53.68 3hoj s PHE 112 Cb -0.00 -3.43 -0.00 0.00 0.51 0.00 0.00 43.02 40.10 3hoj s PHE 112 CO 0.00 -0.90 0.83 0.42 0.70 0.00 0.00 175.22 176.27 3hoj s ILE 113 N 0.13 4.80 0.00 0.64 1.01 -1.26 -4.82 121.20 121.70 3hoj s ILE 113 Ca 0.16 1.47 0.00 0.00 0.00 0.00 0.00 60.65 62.28 3hoj s ILE 113 Cb -0.17 -4.15 0.00 0.00 0.01 0.00 0.00 42.46 38.15 3hoj s ILE 113 CO -0.05 -0.15 0.12 1.33 0.00 0.00 0.00 174.94 176.19 3hoj n VAL 114 N 5.38 0.00 -3.73 2.92 0.24 -1.26 -4.74 118.33 117.14 3hoj n VAL 114 Ca 0.05 -0.13 -0.14 0.00 -2.04 0.00 0.00 64.34 62.08 3hoj n VAL 114 Cb 0.48 1.67 -0.08 0.00 -1.47 0.00 0.00 33.84 34.44 3hoj n VAL 114 CO 0.00 0.00 0.00 -1.59 -2.14 0.00 0.00 176.83 173.10 3hoj s LYS 115 N -0.02 0.73 0.32 7.34 -2.85 -1.26 -4.87 119.74 119.12 3hoj s LYS 115 Ca 0.00 -0.15 0.06 0.00 -1.00 0.00 0.00 55.97 54.88 3hoj s LYS 115 Cb 0.00 0.33 0.73 0.00 -2.06 0.00 0.00 37.83 36.83 3hoj s LYS 115 CO 0.00 -0.21 1.82 0.93 0.10 0.00 0.00 175.35 177.99 3hoj h GLU 116 N 3.72 0.76 -0.72 1.78 5.08 -1.99 -2.33 114.58 120.88 3hoj h GLU 116 Ca -0.29 -0.05 0.17 0.00 -1.00 0.00 0.00 59.36 58.19 3hoj h GLU 116 Cb 1.17 -0.17 -0.04 0.00 0.50 0.00 0.00 28.75 30.21 3hoj h GLU 116 CO 0.40 0.51 0.49 1.03 -1.00 0.00 0.00 179.01 180.44 3hoj h SER 117 N 0.79 0.22 1.61 1.42 0.87 -1.97 0.63 113.55 117.12 3hoj h SER 117 Ca 0.52 0.01 0.00 0.00 -1.23 0.00 0.00 61.79 61.10 3hoj h SER 117 Cb 0.78 -0.03 0.00 0.00 -0.44 0.00 0.00 62.40 62.71 3hoj h SER 117 CO -0.30 0.11 0.00 1.56 -0.53 0.00 0.00 176.83 177.67 3hoj h GLN 118 N 0.23 0.00 0.14 2.24 4.20 -1.78 -1.21 115.11 118.93 3hoj h GLN 118 Ca 0.35 0.00 -0.32 0.00 0.06 0.00 0.00 58.65 58.74 3hoj h GLN 118 Cb 1.05 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.83 3hoj h GLN 118 CO -0.08 0.00 -1.59 0.82 -0.67 0.00 0.00 178.83 177.32 3hoj h ILE 119 N 0.00 1.10 -0.02 2.54 2.04 -1.01 -2.49 117.51 119.67 3hoj h ILE 119 Ca 0.00 -2.72 0.03 0.00 1.00 0.00 0.00 64.86 63.17 3hoj h ILE 119 Cb 0.80 2.77 -0.04 0.00 -0.74 0.00 0.00 36.82 39.61 3hoj h ILE 119 CO 0.00 0.82 -0.21 0.44 0.00 0.00 0.00 178.15 179.20 3hoj h ASP 120 N 0.08 -0.63 -0.27 1.72 3.32 -1.25 -1.80 116.42 117.59 3hoj h ASP 120 Ca -0.27 0.09 0.06 0.00 0.02 0.00 0.00 57.03 56.93 3hoj h ASP 120 Cb 2.04 0.27 -0.08 0.00 0.22 0.00 0.00 39.33 41.78 3hoj h ASP 120 CO 0.17 -0.28 -0.35 0.44 -1.72 0.00 0.00 179.24 177.50 3hoj h ASP 121 N -0.33 -1.13 -0.25 6.45 3.45 -1.29 0.17 116.42 123.50 3hoj h ASP 121 Ca 0.07 0.18 0.04 0.00 0.43 0.00 0.00 57.03 57.75 3hoj h ASP 121 Cb 0.42 0.50 -0.04 0.00 -0.56 0.00 0.00 39.33 39.64 3hoj h ASP 121 CO -0.21 -0.35 -0.01 0.00 -1.57 0.00 0.00 179.24 177.10 3hoj h ALA 122 N 0.52 0.21 0.15 3.45 0.00 -1.37 -0.07 119.26 122.14 3hoj h ALA 122 Ca 0.13 0.07 0.01 0.00 0.00 0.00 0.00 54.91 55.12 3hoj h ALA 122 Cb 0.56 0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.46 3hoj h ALA 122 CO -0.46 -0.43 -0.18 -0.92 0.00 0.00 0.00 179.25 177.26 3hoj h TYR 123 N 0.06 -0.48 0.00 0.00 5.03 -0.99 0.06 116.97 120.66 3hoj h TYR 123 Ca 0.12 0.01 -0.02 0.00 2.58 0.00 0.00 58.73 61.42 3hoj h TYR 123 Cb 0.16 0.19 -0.00 0.00 1.55 0.00 0.00 36.73 38.63 3hoj h TYR 123 CO -0.21 -0.27 -0.08 -0.91 -1.32 0.00 0.00 178.16 175.37 3hoj h ASN 124 N -0.38 0.00 0.43 -2.11 -0.26 -0.41 -2.67 115.58 110.18 3hoj h ASN 124 Ca 0.01 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.75 3hoj h ASN 124 Cb 0.37 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.63 3hoj h ASN 124 CO -0.07 0.08 -0.31 0.18 -1.06 0.00 0.00 177.43 176.25 3hoj n LEU 125 N -4.02 0.64 0.00 1.61 7.99 -0.06 -3.05 117.00 120.11 3hoj n LEU 125 Ca -0.03 -0.05 0.00 0.00 -0.01 0.00 0.00 56.01 55.92 3hoj n LEU 125 Cb 0.16 -0.21 0.00 0.00 -0.11 0.00 0.00 43.42 43.26 3hoj n LEU 125 CO 0.31 0.13 0.00 0.61 -1.51 0.00 0.00 177.39 176.94 3hoj n GLY 126 N 1.41 0.73 3.77 -0.72 0.00 -1.01 -4.18 105.19 105.19 3hoj n GLY 126 Ca 0.09 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.74 3hoj n GLY 126 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hoj s ALA 127 N -2.00 2.93 -0.12 4.61 0.00 -0.02 -4.81 121.76 122.36 3hoj s ALA 127 Ca 0.00 1.03 0.21 0.00 0.00 0.00 0.00 51.96 53.20 3hoj s ALA 127 Cb 0.00 -3.43 -0.21 0.00 0.00 0.00 0.00 23.12 19.48 3hoj s ALA 127 CO 0.00 -0.83 0.62 -0.25 0.00 0.00 0.00 175.76 175.29 3hoj n ASP 128 N -0.63 0.35 -3.46 0.00 9.92 0.78 -4.44 116.55 119.06 3hoj n ASP 128 Ca 0.08 0.14 -0.07 0.00 -0.53 0.00 0.00 54.79 54.41 3hoj n ASP 128 Cb 0.47 1.18 -0.00 0.00 -0.64 0.00 0.00 41.12 42.13 3hoj n ASP 128 CO 0.00 0.00 0.00 0.28 0.13 0.00 0.00 177.20 177.61 3hoj s THR 129 N -3.24 0.00 0.25 -3.53 -1.32 -0.98 -4.63 115.64 102.19 3hoj s THR 129 Ca -0.06 -0.97 0.01 0.00 -1.21 0.00 0.00 61.69 59.47 3hoj s THR 129 Cb 0.11 -2.38 -0.05 0.00 -1.51 0.00 0.00 72.50 68.67 3hoj s THR 129 CO 0.85 0.00 0.10 0.68 -2.21 0.00 0.00 174.62 174.04 3hoj s VAL 130 N -3.18 0.47 0.06 5.08 -7.23 -1.26 -0.76 120.40 113.58 3hoj s VAL 130 Ca 0.13 -2.00 0.03 0.00 -1.81 0.00 0.00 61.98 58.34 3hoj s VAL 130 Cb -0.05 -2.61 -0.04 0.00 0.56 0.00 0.00 36.38 34.24 3hoj s VAL 130 CO 0.08 -0.01 0.01 0.00 -0.31 0.00 0.00 175.10 174.88 3hoj s ALA 131 N -3.82 3.34 -0.12 1.32 0.00 -1.25 -1.29 121.76 119.94 3hoj s ALA 131 Ca 0.38 -1.05 0.02 0.00 0.00 0.00 0.00 51.96 51.32 3hoj s ALA 131 Cb 0.08 -1.28 0.01 0.00 0.00 0.00 0.00 23.12 21.92 3hoj s ALA 131 CO 0.13 0.69 -0.19 -0.51 0.00 0.00 0.00 175.76 175.88 3hoj s LEU 132 N -2.09 1.95 -0.30 0.00 1.43 0.65 -4.52 118.68 115.79 3hoj s LEU 132 Ca 0.24 -0.52 -0.13 0.00 -1.03 0.00 0.00 54.13 52.69 3hoj s LEU 132 Cb -0.12 -1.29 -0.03 0.00 0.03 0.00 0.00 46.19 44.78 3hoj s LEU 132 CO 0.16 0.07 0.26 -0.63 0.23 0.00 0.00 176.35 176.44 3hoj s ILE 133 N 0.80 5.26 0.32 -0.59 1.01 -1.26 -0.66 121.20 126.08 3hoj s ILE 133 Ca -0.09 0.13 0.00 0.00 0.00 0.00 0.00 60.65 60.69 3hoj s ILE 133 Cb -0.16 -3.65 0.24 0.00 0.01 0.00 0.00 42.46 38.90 3hoj s ILE 133 CO 0.00 0.12 1.96 0.58 0.00 0.00 0.00 174.94 177.60 3hoj h VAL 134 N 5.43 1.19 -0.16 2.92 2.07 -1.76 -2.69 116.25 123.25 3hoj h VAL 134 Ca -0.33 -0.44 0.02 0.00 0.82 0.00 0.00 66.70 66.78 3hoj h VAL 134 Cb 1.17 0.26 -0.01 0.00 -1.52 0.00 0.00 31.29 31.20 3hoj h VAL 134 CO 0.61 0.20 0.11 0.11 0.02 0.00 0.00 177.57 178.62 3hoj h LYS 135 N 0.92 0.10 0.00 1.57 6.56 -1.94 -3.11 116.57 120.68 3hoj h LYS 135 Ca 0.24 -0.01 0.00 0.00 -1.06 0.00 0.00 60.65 59.82 3hoj h LYS 135 Cb -0.02 -0.02 0.00 0.00 -0.57 0.00 0.00 32.23 31.62 3hoj h LYS 135 CO -0.04 0.07 -1.11 0.44 -2.06 0.00 0.00 179.45 176.74 3hoj n ILE 136 N -4.51 0.00 -4.97 1.86 -5.35 -1.03 -4.79 119.36 100.57 3hoj n ILE 136 Ca 0.00 -0.13 -0.32 0.00 -0.27 0.00 0.00 62.75 62.03 3hoj n ILE 136 Cb 0.16 0.80 -0.14 0.00 -1.74 0.00 0.00 39.64 38.72 3hoj n ILE 136 CO 0.00 0.00 0.00 -0.76 -1.76 0.00 0.00 176.55 174.03 3hoj s LEU 137 N -3.21 2.55 0.73 7.28 1.43 -1.08 -1.41 118.68 124.97 3hoj s LEU 137 Ca 0.04 -0.31 -0.14 0.00 -1.03 0.00 0.00 54.13 52.70 3hoj s LEU 137 Cb 0.14 -1.52 0.04 0.00 0.03 0.00 0.00 46.19 44.88 3hoj s LEU 137 CO 0.80 0.28 1.15 0.42 0.23 0.00 0.00 176.35 179.22 3hoj s THR 138 N -0.34 2.79 0.42 5.49 -4.23 -1.26 -4.77 115.64 113.74 3hoj s THR 138 Ca 0.03 0.34 0.17 0.00 -1.18 0.00 0.00 61.69 61.05 3hoj s THR 138 Cb -0.13 -2.82 0.19 0.00 1.34 0.00 0.00 72.50 71.09 3hoj s THR 138 CO 0.02 -0.25 1.98 1.05 -0.54 0.00 0.00 174.62 176.88 3hoj h GLU 139 N -0.46 0.00 -0.46 3.99 -0.00 -1.98 0.91 114.58 116.57 3hoj h GLU 139 Ca -0.46 0.00 -0.14 0.00 -0.00 0.00 0.00 59.36 58.76 3hoj h GLU 139 Cb 1.26 0.00 -0.01 0.00 -0.00 0.00 0.00 28.75 30.00 3hoj h GLU 139 CO 0.51 0.21 -0.25 0.00 -0.00 0.00 0.00 179.01 179.47 3hoj h ARG 140 N 0.00 0.98 -0.54 1.06 2.47 -1.99 0.63 114.38 116.99 3hoj h ARG 140 Ca -0.00 -0.44 -0.05 0.00 -1.26 0.00 0.00 59.98 58.23 3hoj h ARG 140 Cb 0.39 -0.02 -0.02 0.00 -1.65 0.00 0.00 29.97 28.67 3hoj h ARG 140 CO 0.03 1.11 0.14 0.93 0.56 0.00 0.00 179.97 182.74 3hoj h GLU 141 N 0.84 0.86 0.09 0.04 5.08 -1.73 -1.91 114.58 117.86 3hoj h GLU 141 Ca 0.10 -0.20 0.01 0.00 -1.00 0.00 0.00 59.36 58.27 3hoj h GLU 141 Cb 0.83 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.94 3hoj h GLU 141 CO 0.07 0.81 -0.16 -0.07 -1.00 0.00 0.00 179.01 178.66 3hoj h LEU 142 N 0.76 -0.45 -0.68 1.33 3.38 -0.72 -0.22 115.31 118.72 3hoj h LEU 142 Ca 0.17 0.05 0.06 0.00 0.09 0.00 0.00 57.88 58.25 3hoj h LEU 142 Cb 0.33 0.17 -0.06 0.00 0.09 0.00 0.00 40.66 41.19 3hoj h LEU 142 CO 0.00 -0.23 0.38 -0.33 0.09 0.00 0.00 178.44 178.35 3hoj h GLU 143 N -0.32 0.68 -0.22 1.13 5.08 -0.87 0.98 114.58 121.05 3hoj h GLU 143 Ca 0.02 -0.04 -0.02 0.00 -1.00 0.00 0.00 59.36 58.32 3hoj h GLU 143 Cb 0.33 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.42 3hoj h GLU 143 CO -0.09 0.45 0.05 1.03 -1.00 0.00 0.00 179.01 179.45 3hoj h SER 144 N 0.70 0.34 0.72 1.42 0.87 -1.17 -2.52 113.55 113.91 3hoj h SER 144 Ca 0.31 -0.24 -0.16 0.00 -1.23 0.00 0.00 61.79 60.47 3hoj h SER 144 Cb 0.19 -0.09 -0.02 0.00 -0.44 0.00 0.00 62.40 62.04 3hoj h SER 144 CO -0.18 0.49 -0.77 -0.07 -0.53 0.00 0.00 176.83 175.77 3hoj h LEU 145 N 0.18 0.05 -0.32 2.23 3.38 -0.77 -1.68 115.31 118.37 3hoj h LEU 145 Ca 0.07 -0.04 -0.01 0.00 0.09 0.00 0.00 57.88 58.00 3hoj h LEU 145 Cb 0.28 -0.01 -0.02 0.00 0.09 0.00 0.00 40.66 41.00 3hoj h LEU 145 CO 0.00 0.79 0.17 0.25 0.09 0.00 0.00 178.44 179.75 3hoj h LEU 146 N 0.02 0.40 -0.62 1.67 5.85 -0.77 -1.45 115.31 120.41 3hoj h LEU 146 Ca -0.01 -0.09 -0.09 0.00 0.84 0.00 0.00 57.88 58.52 3hoj h LEU 146 Cb 1.35 -0.10 -0.02 0.00 0.37 0.00 0.00 40.66 42.26 3hoj h LEU 146 CO 0.10 0.38 0.02 -0.33 -0.34 0.00 0.00 178.44 178.28 3hoj h GLU 147 N 0.39 1.08 -0.23 1.25 4.39 -1.36 -1.87 114.58 118.23 3hoj h GLU 147 Ca 0.11 -0.33 -0.00 0.00 0.34 0.00 0.00 59.36 59.48 3hoj h GLU 147 Cb 0.07 -0.10 -0.01 0.00 -0.10 0.00 0.00 28.75 28.60 3hoj h GLU 147 CO -0.02 1.04 0.14 -0.92 -1.16 0.00 0.00 179.01 178.09 3hoj h TYR 148 N 0.99 0.30 -0.75 4.33 3.20 -1.14 -0.39 116.97 123.51 3hoj h TYR 148 Ca 0.18 0.00 -0.03 0.00 3.14 0.00 0.00 58.73 62.02 3hoj h TYR 148 Cb 0.53 -0.10 -0.03 0.00 1.54 0.00 0.00 36.73 38.67 3hoj h TYR 148 CO 0.04 0.23 0.34 0.00 -1.64 0.00 0.00 178.16 177.12 3hoj h ALA 149 N 1.05 0.97 -0.31 1.82 0.00 -1.26 -2.92 119.26 118.60 3hoj h ALA 149 Ca 0.08 -0.17 -0.05 0.00 0.00 0.00 0.00 54.91 54.78 3hoj h ALA 149 Cb 0.01 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.49 3hoj h ALA 149 CO -0.02 0.56 -0.02 0.00 0.00 0.00 0.00 179.25 179.77 3hoj h ARG 150 N 1.06 0.49 0.00 0.00 3.08 -0.96 -0.99 114.38 117.07 3hoj h ARG 150 Ca 0.25 -0.11 -0.01 0.00 0.07 0.00 0.00 59.98 60.19 3hoj h ARG 150 Cb 0.16 -0.07 -0.00 0.00 0.08 0.00 0.00 29.97 30.14 3hoj h ARG 150 CO -0.03 0.53 -0.03 0.66 -1.07 0.00 0.00 179.97 180.04 3hoj h SER 151 N 0.47 0.00 0.35 7.04 4.64 -0.89 0.82 113.55 125.98 3hoj h SER 151 Ca 0.10 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.42 3hoj h SER 151 Cb 0.34 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.43 3hoj h SER 151 CO 0.01 0.03 -0.14 -1.22 -0.87 0.00 0.00 176.83 174.64 3hoj n TYR 152 N -3.15 0.00 -0.82 4.77 0.53 -0.78 -4.94 117.16 112.77 3hoj n TYR 152 Ca -0.00 0.00 0.00 0.00 -1.02 0.00 0.00 57.90 56.88 3hoj n TYR 152 Cb 0.28 -0.18 0.00 0.00 -1.03 0.00 0.00 39.34 38.41 3hoj n TYR 152 CO 0.00 0.00 0.00 0.41 -1.02 0.00 0.00 176.86 176.25 3hoj n GLY 153 N 1.30 0.55 3.79 2.72 0.00 0.28 -5.04 105.19 108.80 3hoj n GLY 153 Ca 0.14 -0.33 -0.37 0.00 0.00 0.00 0.00 46.02 45.46 3hoj n GLY 153 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3hoj s MET 154 N -0.71 3.98 -0.39 1.61 -1.94 -0.44 -4.96 119.30 116.43 3hoj s MET 154 Ca 0.00 0.08 -0.15 0.00 -1.71 0.00 0.00 55.69 53.92 3hoj s MET 154 Cb 0.00 -3.32 0.01 0.00 2.01 0.00 0.00 34.83 33.53 3hoj s MET 154 CO 0.00 0.48 0.29 -2.00 -0.01 0.00 0.00 175.02 173.78 3hoj s GLU 155 N -0.25 3.09 0.45 2.03 2.56 -1.26 -2.92 118.70 122.41 3hoj s GLU 155 Ca 0.17 -0.92 -0.20 0.00 0.00 0.00 0.00 54.97 54.01 3hoj s GLU 155 Cb -0.13 -3.94 -0.10 0.00 2.00 0.00 0.00 34.13 31.96 3hoj s GLU 155 CO 0.05 -0.68 0.97 -1.25 -0.56 0.00 0.00 175.26 173.79 3hoj s PRO 156 N 1.70 4.10 -0.24 4.30 0.04 -1.26 -4.73 135.00 138.91 3hoj s PRO 156 Ca 0.05 1.15 -0.26 0.00 0.04 0.00 0.00 61.00 61.99 3hoj s PRO 156 Cb -0.19 -2.16 -0.00 0.00 0.04 0.00 0.00 34.50 32.20 3hoj s PRO 156 CO 0.10 -0.15 0.88 -1.17 0.04 0.00 0.00 177.00 176.70 3hoj s LEU 157 N -3.36 4.09 -0.35 -3.56 2.96 -0.41 -4.50 118.68 113.54 3hoj s LEU 157 Ca 0.63 1.12 -0.19 0.00 -0.22 0.00 0.00 54.13 55.47 3hoj s LEU 157 Cb -0.11 -3.28 0.00 0.00 0.50 0.00 0.00 46.19 43.31 3hoj s LEU 157 CO 0.17 -0.55 0.58 -0.63 -1.32 0.00 0.00 176.35 174.60 3hoj s ILE 158 N 2.92 4.94 -0.17 6.68 1.09 -0.05 -0.26 121.20 136.35 3hoj s ILE 158 Ca 0.37 0.47 -0.19 0.00 -1.10 0.00 0.00 60.65 60.20 3hoj s ILE 158 Cb -0.15 -4.03 -0.03 0.00 -1.06 0.00 0.00 42.46 37.18 3hoj s ILE 158 CO 0.07 -0.28 0.55 -0.54 -0.10 0.00 0.00 174.94 174.64 3hoj s LYS 159 N 2.57 4.24 0.12 2.79 1.02 0.17 -1.17 119.74 129.48 3hoj s LYS 159 Ca 0.22 0.51 0.07 0.00 0.02 0.00 0.00 55.97 56.78 3hoj s LYS 159 Cb -0.15 -3.53 -0.04 0.00 -0.52 0.00 0.00 37.83 33.59 3hoj s LYS 159 CO 0.14 -0.10 -0.16 0.96 -0.92 0.00 0.00 175.35 175.27 3hoj s ILE 160 N 1.45 1.46 0.00 2.17 -4.36 -0.34 -2.18 121.20 119.40 3hoj s ILE 160 Ca 0.27 -1.67 0.00 0.00 -0.26 0.00 0.00 60.65 58.99 3hoj s ILE 160 Cb -0.16 -1.53 0.00 0.00 1.25 0.00 0.00 42.46 42.02 3hoj s ILE 160 CO 0.10 -0.31 0.01 -0.46 0.24 0.00 0.00 174.94 174.52 3hoj n ASN 161 N 0.68 0.02 -3.11 4.36 6.94 -1.26 -1.40 115.26 121.49 3hoj n ASN 161 Ca -0.16 -0.98 -0.17 0.00 -0.02 0.00 0.00 54.58 53.25 3hoj n ASN 161 Cb 0.56 0.00 -0.06 0.00 -2.36 0.00 0.00 39.78 37.93 3hoj n ASN 161 CO 0.00 0.00 0.00 -0.90 -1.03 0.00 0.00 177.26 175.33 3hoj n ASP 162 N -0.00 -1.01 -0.04 0.53 5.68 -1.26 -4.94 116.55 115.51 3hoj n ASP 162 Ca 0.00 -3.04 -0.02 0.00 -0.50 0.00 0.00 54.79 51.23 3hoj n ASP 162 Cb 0.24 2.08 0.23 0.00 -1.14 0.00 0.00 41.12 42.52 3hoj n ASP 162 CO 0.00 0.00 0.00 -0.08 -1.33 0.00 0.00 177.20 175.79 3hoj h GLU 163 N 0.00 0.62 -0.44 0.11 4.81 -1.99 -2.22 114.58 115.46 3hoj h GLU 163 Ca -0.25 -0.16 -0.04 0.00 -0.13 0.00 0.00 59.36 58.78 3hoj h GLU 163 Cb 1.19 -0.07 -0.02 0.00 0.63 0.00 0.00 28.75 30.47 3hoj h GLU 163 CO 0.35 0.67 0.11 -0.97 -0.73 0.00 0.00 179.01 178.44 3hoj h ASN 164 N 0.58 0.67 -0.57 1.04 -1.24 -1.99 -1.69 115.58 112.37 3hoj h ASN 164 Ca 0.11 -0.23 0.08 0.00 0.71 0.00 0.00 56.30 56.98 3hoj h ASN 164 Cb 0.44 -0.18 -0.07 0.00 0.73 0.00 0.00 38.32 39.24 3hoj h ASN 164 CO 0.02 0.73 0.21 0.44 -1.29 0.00 0.00 177.43 177.54 3hoj h ASP 165 N 0.58 0.20 -0.52 1.15 3.45 -1.91 -1.95 116.42 117.42 3hoj h ASP 165 Ca 0.14 0.07 -0.01 0.00 0.43 0.00 0.00 57.03 57.66 3hoj h ASP 165 Cb 0.32 0.06 -0.02 0.00 -0.56 0.00 0.00 39.33 39.12 3hoj h ASP 165 CO 0.00 0.13 0.28 0.25 -1.57 0.00 0.00 179.24 178.33 3hoj h LEU 166 N 0.38 0.65 -0.69 1.55 5.85 -1.17 -0.28 115.31 121.61 3hoj h LEU 166 Ca 0.28 -0.09 0.07 0.00 0.84 0.00 0.00 57.88 58.98 3hoj h LEU 166 Cb 0.34 -0.16 -0.06 0.00 0.37 0.00 0.00 40.66 41.14 3hoj h LEU 166 CO -0.29 0.55 0.37 0.44 -0.34 0.00 0.00 178.44 179.18 3hoj h ASP 167 N 0.69 0.53 -0.31 1.25 3.32 -0.90 -1.41 116.42 119.60 3hoj h ASP 167 Ca 0.18 0.04 -0.03 0.00 0.02 0.00 0.00 57.03 57.24 3hoj h ASP 167 Cb 0.05 -0.06 -0.01 0.00 0.22 0.00 0.00 39.33 39.52 3hoj h ASP 167 CO -0.03 0.33 0.08 0.40 -1.72 0.00 0.00 179.24 178.30 3hoj h ILE 168 N 0.67 1.22 -0.98 0.35 2.04 -1.01 -1.81 117.51 117.99 3hoj h ILE 168 Ca 0.32 -0.72 0.05 0.00 1.00 0.00 0.00 64.86 65.51 3hoj h ILE 168 Cb 0.24 1.10 -0.06 0.00 -0.74 0.00 0.00 36.82 37.36 3hoj h ILE 168 CO -0.21 0.24 0.64 0.00 0.00 0.00 0.00 178.15 178.82 3hoj h ALA 169 N 0.91 1.40 0.02 1.87 0.00 -0.50 -1.06 119.26 121.90 3hoj h ALA 169 Ca 0.10 -0.04 -0.20 0.00 0.00 0.00 0.00 54.91 54.77 3hoj h ALA 169 Cb 0.29 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 3hoj h ALA 169 CO 0.00 0.48 -0.94 -0.07 0.00 0.00 0.00 179.25 178.72 3hoj h LEU 170 N 1.19 0.17 -0.39 0.00 3.38 -1.26 -0.21 115.31 118.19 3hoj h LEU 170 Ca 0.40 -0.15 -0.01 0.00 0.09 0.00 0.00 57.88 58.21 3hoj h LEU 170 Cb 0.09 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 40.76 3hoj h LEU 170 CO -0.14 1.01 0.23 -0.09 0.09 0.00 0.00 178.44 179.54 3hoj h ARG 171 N 0.06 0.54 0.00 1.13 2.43 -0.72 -2.23 114.38 115.59 3hoj h ARG 171 Ca -0.04 -0.06 0.00 0.00 -0.81 0.00 0.00 59.98 59.07 3hoj h ARG 171 Cb 1.61 -0.11 0.00 0.00 -0.42 0.00 0.00 29.97 31.05 3hoj h ARG 171 CO 0.14 0.43 0.00 0.44 -1.51 0.00 0.00 179.97 179.46 3hoj n ILE 172 N -4.75 0.69 -2.14 1.20 -5.35 -0.46 -4.91 119.36 103.64 3hoj n ILE 172 Ca 0.00 0.12 0.00 0.00 -0.27 0.00 0.00 62.75 62.60 3hoj n ILE 172 Cb 0.07 -0.88 0.00 0.00 -1.74 0.00 0.00 39.64 37.09 3hoj n ILE 172 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3hoj n GLY 173 N 0.50 0.96 3.75 3.28 0.00 -0.84 -5.03 105.19 107.81 3hoj n GLY 173 Ca 0.04 -0.59 -0.41 0.00 0.00 0.00 0.00 46.02 45.06 3hoj n GLY 173 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hoj s ALA 174 N -2.85 3.59 -0.76 4.61 0.00 -0.12 -4.94 121.76 121.30 3hoj s ALA 174 Ca 0.00 1.34 0.07 0.00 0.00 0.00 0.00 51.96 53.37 3hoj s ALA 174 Cb 0.00 -3.55 0.09 0.00 0.00 0.00 0.00 23.12 19.66 3hoj s ALA 174 CO 0.00 -0.76 0.83 0.54 0.00 0.00 0.00 175.76 176.37 3hoj n ARG 175 N 1.76 0.70 -3.49 0.00 5.12 -1.26 -4.85 116.66 114.64 3hoj n ARG 175 Ca 0.05 -1.14 -0.25 0.00 -1.93 0.00 0.00 57.85 54.58 3hoj n ARG 175 Cb 0.40 -1.14 -0.13 0.00 -1.16 0.00 0.00 32.46 30.44 3hoj n ARG 175 CO 0.00 0.00 0.00 0.12 -1.93 0.00 0.00 177.63 175.82 3hoj s PHE 176 N -0.67 0.03 -0.09 -1.55 5.36 -1.26 -2.13 117.98 117.67 3hoj s PHE 176 Ca 0.09 -0.59 0.04 0.00 -0.96 0.00 0.00 56.93 55.51 3hoj s PHE 176 Cb 0.06 -0.73 -0.01 0.00 -0.34 0.00 0.00 43.02 42.00 3hoj s PHE 176 CO 0.09 -0.85 -0.21 0.42 -1.46 0.00 0.00 175.22 173.21 3hoj s ILE 177 N 2.20 2.40 -0.23 3.12 1.01 -0.20 -0.87 121.20 128.63 3hoj s ILE 177 Ca 0.09 -0.92 -0.06 0.00 0.00 0.00 0.00 60.65 59.76 3hoj s ILE 177 Cb -0.15 -1.93 -0.02 0.00 0.01 0.00 0.00 42.46 40.36 3hoj s ILE 177 CO -0.34 0.56 0.04 -0.83 0.00 0.00 0.00 174.94 174.36 3hoj s GLY 178 N 0.06 1.73 -0.52 6.18 0.00 -0.32 0.22 107.32 114.68 3hoj s GLY 178 Ca -0.09 -1.11 -0.19 0.00 0.00 0.00 0.00 44.72 43.34 3hoj s GLY 178 CO 0.06 0.46 0.61 -0.42 0.00 0.00 0.00 173.10 173.80 3hoj s ILE 179 N 1.47 4.91 -0.39 0.90 1.09 0.12 -1.20 121.20 128.10 3hoj s ILE 179 Ca 0.05 -0.64 -0.19 0.00 -1.10 0.00 0.00 60.65 58.77 3hoj s ILE 179 Cb -0.15 -4.31 0.01 0.00 -1.06 0.00 0.00 42.46 36.96 3hoj s ILE 179 CO 0.02 -0.83 0.58 -0.69 -0.10 0.00 0.00 174.94 173.92 3hoj s VAL 180 N 2.51 4.93 -1.28 2.92 1.01 -0.50 -1.64 120.40 128.35 3hoj s VAL 180 Ca 0.13 0.24 -0.06 0.00 0.00 0.00 0.00 61.98 62.29 3hoj s VAL 180 Cb -0.21 -4.09 0.15 0.00 0.00 0.00 0.00 36.38 32.24 3hoj s VAL 180 CO 0.10 -0.40 2.21 -1.20 0.00 0.00 0.00 175.10 175.81 3hoj n SER 181 N 5.99 7.33 -4.09 3.32 7.64 -0.70 -4.57 113.62 128.53 3hoj n SER 181 Ca -0.03 -3.19 -0.14 0.00 1.01 0.00 0.00 58.87 56.53 3hoj n SER 181 Cb 0.48 -1.37 -0.11 0.00 -1.01 0.00 0.00 64.21 62.20 3hoj n SER 181 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3hoj s ALA 182 N -1.14 0.71 -0.23 -0.43 0.00 -1.25 -1.44 121.76 117.97 3hoj s ALA 182 Ca 0.49 -0.86 -0.23 0.00 0.00 0.00 0.00 51.96 51.36 3hoj s ALA 182 Cb 0.16 0.03 -0.01 0.00 0.00 0.00 0.00 23.12 23.31 3hoj s ALA 182 CO -0.07 -0.01 0.77 0.34 0.00 0.00 0.00 175.76 176.79 3hoj s ASP 183 N -1.75 6.78 0.44 0.00 2.15 -0.53 -4.79 116.67 118.96 3hoj s ASP 183 Ca -0.07 0.96 0.15 0.00 0.43 0.00 0.00 52.55 54.02 3hoj s ASP 183 Cb -0.08 -2.41 0.98 0.00 -0.30 0.00 0.00 42.92 41.11 3hoj s ASP 183 CO 0.00 -0.45 1.97 -0.50 -0.17 0.00 0.00 175.17 176.02 3hoj h TRP 184 N 7.68 0.00 -0.49 -5.34 4.06 -1.98 0.29 115.95 120.17 3hoj h TRP 184 Ca -0.25 0.00 -0.08 0.00 2.06 0.00 0.00 58.89 60.61 3hoj h TRP 184 Cb 1.11 0.00 -0.02 0.00 -1.00 0.00 0.00 29.16 29.25 3hoj h TRP 184 CO 0.75 0.21 -0.03 0.93 -3.56 0.00 0.00 178.44 176.74 3hoj h GLU 185 N 0.00 0.88 0.00 0.49 3.07 -1.98 -3.37 114.58 113.67 3hoj h GLU 185 Ca -0.00 -0.29 0.00 0.00 -0.50 0.00 0.00 59.36 58.56 3hoj h GLU 185 Cb 0.38 -0.07 0.00 0.00 -0.84 0.00 0.00 28.75 28.22 3hoj h GLU 185 CO 0.03 0.93 -0.88 0.25 -1.40 0.00 0.00 179.01 177.94 3hoj n THR 186 N -4.31 0.00 -2.91 1.13 -2.24 -1.16 -4.94 114.28 99.86 3hoj n THR 186 Ca 0.01 -0.17 -0.20 0.00 -2.27 0.00 0.00 64.05 61.41 3hoj n THR 186 Cb 0.33 0.58 0.03 0.00 -2.10 0.00 0.00 70.33 69.17 3hoj n THR 186 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 3hoj n LEU 187 N -1.47 -2.55 -4.82 3.22 4.77 0.10 -4.93 117.00 111.33 3hoj n LEU 187 Ca -0.00 -0.24 -0.37 0.00 -0.03 0.00 0.00 56.01 55.37 3hoj n LEU 187 Cb 0.07 -2.78 -0.06 0.00 -2.33 0.00 0.00 43.42 38.33 3hoj n LEU 187 CO 0.07 0.18 0.32 -1.61 -1.33 0.00 0.00 177.39 175.02 3hoj s GLU 188 N -5.55 4.18 0.31 3.23 0.41 -1.25 -4.87 118.70 115.16 3hoj s GLU 188 Ca 0.26 0.74 -0.30 0.00 -0.41 0.00 0.00 54.97 55.26 3hoj s GLU 188 Cb -0.11 -3.04 -0.11 0.00 -1.78 0.00 0.00 34.13 29.09 3hoj s GLU 188 CO 0.32 0.51 1.59 -0.89 -0.49 0.00 0.00 175.26 176.29 3hoj n ILE 189 N 1.12 1.18 -3.39 -1.63 5.41 -1.26 -1.46 119.36 119.33 3hoj n ILE 189 Ca -0.06 -0.29 -0.18 0.00 1.00 0.00 0.00 62.75 63.22 3hoj n ILE 189 Cb 0.51 -1.99 -0.09 0.00 -0.71 0.00 0.00 39.64 37.36 3hoj n ILE 189 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 176.55 176.76 3hoj s ASN 190 N 0.41 1.63 -0.15 4.38 3.04 -0.52 -4.80 114.94 118.93 3hoj s ASN 190 Ca 0.62 -1.04 0.17 0.00 0.04 0.00 0.00 52.86 52.66 3hoj s ASN 190 Cb -0.49 0.47 0.76 0.00 -1.54 0.00 0.00 41.25 40.45 3hoj s ASN 190 CO 0.51 -0.35 1.67 0.29 -3.04 0.00 0.00 177.10 176.18 3hoj n LYS 191 N 4.99 4.10 0.27 0.43 5.02 -1.26 -3.96 118.16 127.74 3hoj n LYS 191 Ca 0.02 -2.98 -0.16 0.00 -2.02 0.00 0.00 58.31 53.17 3hoj n LYS 191 Cb 0.46 -2.01 -0.08 0.00 -0.02 0.00 0.00 35.03 33.37 3hoj n LYS 191 CO 0.00 0.00 0.00 0.93 -0.52 0.00 0.00 177.40 177.81 3hoj h GLU 192 N 4.13 -0.69 0.00 1.97 4.39 -1.95 -3.08 114.58 119.34 3hoj h GLU 192 Ca 0.00 0.05 0.00 0.00 0.34 0.00 0.00 59.36 59.75 3hoj h GLU 192 Cb 1.62 0.16 0.00 0.00 -0.10 0.00 0.00 28.75 30.42 3hoj h GLU 192 CO 0.31 -0.46 0.00 -0.91 -1.16 0.00 0.00 179.01 176.79 3hoj h ASN 193 N -0.72 0.00 -0.09 1.42 2.35 -1.93 -3.41 115.58 113.20 3hoj h ASN 193 Ca -0.05 0.00 0.03 0.00 -0.55 0.00 0.00 56.30 55.72 3hoj h ASN 193 Cb 0.59 0.00 -0.06 0.00 0.05 0.00 0.00 38.32 38.91 3hoj h ASN 193 CO 0.05 0.00 -0.50 -0.61 -1.65 0.00 0.00 177.43 174.72 3hoj h GLN 194 N 0.00 -0.54 0.00 0.81 4.15 -1.83 0.13 115.11 117.83 3hoj h GLN 194 Ca 0.00 0.04 -0.05 0.00 0.77 0.00 0.00 58.65 59.41 3hoj h GLN 194 Cb 0.68 0.12 -0.01 0.00 0.21 0.00 0.00 27.48 28.49 3hoj h GLN 194 CO 0.00 -0.36 -0.23 0.00 -1.93 0.00 0.00 178.83 176.31 3hoj h ARG 195 N -0.56 0.00 0.11 1.69 3.08 -1.79 -1.66 114.38 115.25 3hoj h ARG 195 Ca 0.02 0.00 -0.29 0.00 0.07 0.00 0.00 59.98 59.79 3hoj h ARG 195 Cb 0.64 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.69 3hoj h ARG 195 CO -0.38 0.23 -1.37 1.57 -1.07 0.00 0.00 179.97 178.94 3hoj h LYS 196 N 0.00 0.24 -0.25 0.04 2.10 -1.67 -3.03 116.57 114.00 3hoj h LYS 196 Ca -0.00 -0.41 -0.02 0.00 -2.00 0.00 0.00 60.65 58.22 3hoj h LYS 196 Cb 0.41 0.15 -0.01 0.00 -0.90 0.00 0.00 32.23 31.88 3hoj h LYS 196 CO 0.03 1.14 0.09 -0.07 -2.00 0.00 0.00 179.45 178.64 3hoj h LEU 197 N 0.06 0.36 -1.27 7.07 3.38 -0.49 -3.02 115.31 121.40 3hoj h LEU 197 Ca -0.18 -0.19 -0.01 0.00 0.09 0.00 0.00 57.88 57.59 3hoj h LEU 197 Cb 1.98 -0.09 -0.03 0.00 0.09 0.00 0.00 40.66 42.61 3hoj h LEU 197 CO 0.18 0.45 0.32 0.40 0.09 0.00 0.00 178.44 179.88 3hoj h ILE 198 N 0.25 1.18 0.00 1.22 2.04 -1.42 -2.10 117.51 118.68 3hoj h ILE 198 Ca 0.08 -0.46 0.00 0.00 1.00 0.00 0.00 64.86 65.48 3hoj h ILE 198 Cb 0.21 0.38 0.00 0.00 -0.74 0.00 0.00 36.82 36.67 3hoj h ILE 198 CO -0.00 0.20 0.00 0.28 0.00 0.00 0.00 178.15 178.63 3hoj h SER 199 N 0.83 0.00 0.62 1.72 0.02 -1.40 -3.05 113.55 112.29 3hoj h SER 199 Ca 0.21 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.16 3hoj h SER 199 Cb 0.03 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.57 3hoj h SER 199 CO -0.03 0.00 -0.71 0.23 -1.14 0.00 0.00 176.83 175.18 3hoj n MET 200 N -2.92 0.20 -2.80 3.45 2.81 -0.79 -4.95 117.12 112.11 3hoj n MET 200 Ca -0.00 0.03 -0.41 0.00 -1.81 0.00 0.00 57.70 55.51 3hoj n MET 200 Cb 0.21 -1.60 -0.05 0.00 -0.71 0.00 0.00 33.22 31.07 3hoj n MET 200 CO 0.00 0.00 0.00 0.42 1.51 0.00 0.00 175.97 177.90 3hoj s ILE 201 N -3.12 4.56 0.40 2.02 1.01 -1.15 -5.00 121.20 119.92 3hoj s ILE 201 Ca 0.07 1.94 -0.26 0.00 0.00 0.00 0.00 60.65 62.41 3hoj s ILE 201 Cb 0.15 -4.26 -0.11 0.00 0.01 0.00 0.00 42.46 38.25 3hoj s ILE 201 CO 0.74 0.33 1.18 -2.65 0.00 0.00 0.00 174.94 174.55 3hoj n PRO 202 N 2.78 1.76 0.18 2.79 -0.02 -1.26 -4.90 135.00 136.33 3hoj n PRO 202 Ca 0.01 0.62 0.14 0.00 -2.02 0.00 0.00 63.50 62.25 3hoj n PRO 202 Cb 0.49 -2.24 0.57 0.00 -0.02 0.00 0.00 33.50 32.30 3hoj n PRO 202 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 3hoj h SER 203 N 2.00 0.00 0.04 2.55 4.64 -1.98 -2.61 113.55 118.18 3hoj h SER 203 Ca -0.46 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.86 3hoj h SER 203 Cb 1.31 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.40 3hoj h SER 203 CO 0.59 0.00 -0.01 -0.46 -0.87 0.00 0.00 176.83 176.08 3hoj n ASN 204 N -2.54 0.53 -4.70 4.97 2.04 -1.26 -4.81 115.26 109.49 3hoj n ASN 204 Ca 0.02 -1.10 -0.36 0.00 -0.44 0.00 0.00 54.58 52.70 3hoj n ASN 204 Cb 0.25 -0.01 -0.09 0.00 -2.53 0.00 0.00 39.78 37.40 3hoj n ASN 204 CO 0.00 0.00 0.00 -0.69 -0.44 0.00 0.00 177.26 176.13 3hoj s VAL 205 N -2.05 5.38 -0.13 3.53 1.01 -0.99 -4.99 120.40 122.15 3hoj s VAL 205 Ca 0.43 0.18 -0.29 0.00 0.00 0.00 0.00 61.98 62.29 3hoj s VAL 205 Cb 0.21 -3.47 -0.03 0.00 0.00 0.00 0.00 36.38 33.09 3hoj s VAL 205 CO 0.37 0.41 1.50 -0.69 0.00 0.00 0.00 175.10 176.69 3hoj s VAL 206 N 0.61 3.86 -0.17 2.92 1.01 -0.91 -4.93 120.40 122.79 3hoj s VAL 206 Ca 0.08 1.02 -0.07 0.00 0.00 0.00 0.00 61.98 63.01 3hoj s VAL 206 Cb -0.12 -3.71 -0.04 0.00 0.00 0.00 0.00 36.38 32.51 3hoj s VAL 206 CO 0.00 -0.14 0.07 -0.54 0.00 0.00 0.00 175.10 174.49 3hoj s LYS 207 N 3.98 3.83 -0.15 2.72 1.02 -1.26 -1.03 119.74 128.85 3hoj s LYS 207 Ca 0.66 -0.32 0.01 0.00 0.02 0.00 0.00 55.97 56.34 3hoj s LYS 207 Cb -0.27 -3.18 -0.00 0.00 -0.52 0.00 0.00 37.83 33.86 3hoj s LYS 207 CO 0.24 0.38 -0.16 0.08 -0.92 0.00 0.00 175.35 174.97 3hoj s VAL 208 N 0.08 2.58 -0.06 3.17 1.01 0.13 -1.50 120.40 125.80 3hoj s VAL 208 Ca 0.06 -0.80 -0.22 0.00 0.00 0.00 0.00 61.98 61.01 3hoj s VAL 208 Cb -0.12 -2.08 -0.04 0.00 0.00 0.00 0.00 36.38 34.14 3hoj s VAL 208 CO 0.01 0.52 0.64 0.00 0.00 0.00 0.00 175.10 176.27 3hoj s ALA 209 N 0.77 3.38 0.05 5.51 0.00 -0.40 0.12 121.76 131.20 3hoj s ALA 209 Ca -0.06 0.06 0.03 0.00 0.00 0.00 0.00 51.96 51.99 3hoj s ALA 209 Cb -0.15 -2.87 -0.02 0.00 0.00 0.00 0.00 23.12 20.07 3hoj s ALA 209 CO 0.00 -0.04 -0.11 0.00 0.00 0.00 0.00 175.76 175.62 3hoj s ALA 210 N 0.59 0.84 0.00 0.00 0.00 -0.65 -0.43 121.76 122.11 3hoj s ALA 210 Ca 0.34 -0.83 0.00 0.00 0.00 0.00 0.00 51.96 51.47 3hoj s ALA 210 Cb -0.17 -0.04 0.00 0.00 0.00 0.00 0.00 23.12 22.91 3hoj s ALA 210 CO 0.17 0.08 0.00 0.34 0.00 0.00 0.00 175.76 176.34 3hoj n PHE 211 N 1.51 0.00 -1.23 0.00 7.35 -1.25 -1.73 117.46 122.11 3hoj n PHE 211 Ca -0.21 0.00 -0.08 0.00 -0.76 0.00 0.00 57.45 56.40 3hoj n PHE 211 Cb 0.55 -1.63 -0.03 0.00 0.35 0.00 0.00 39.48 38.71 3hoj n PHE 211 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 3hoj n GLY 212 N -0.02 0.98 3.62 7.13 0.00 -1.26 -4.54 105.19 111.11 3hoj n GLY 212 Ca 0.00 -0.57 -0.41 0.00 0.00 0.00 0.00 46.02 45.04 3hoj n GLY 212 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3hoj s ILE 213 N -2.25 4.95 0.00 -0.61 1.01 -1.26 -4.89 121.20 118.14 3hoj s ILE 213 Ca 0.00 1.16 0.00 0.00 0.00 0.00 0.00 60.65 61.81 3hoj s ILE 213 Cb 0.00 -3.98 0.00 0.00 0.01 0.00 0.00 42.46 38.49 3hoj s ILE 213 CO 0.00 -0.02 0.07 -1.54 0.00 0.00 0.00 174.94 173.45 3hoj n SER 214 N 5.80 0.14 -4.08 3.58 3.41 -1.26 -4.67 113.62 116.54 3hoj n SER 214 Ca 0.00 -0.56 -0.16 0.00 -0.26 0.00 0.00 58.87 57.90 3hoj n SER 214 Cb 0.49 0.15 -0.12 0.00 -0.26 0.00 0.00 64.21 64.47 3hoj n SER 214 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 3hoj s GLU 215 N -0.15 0.64 0.28 4.33 8.01 -1.26 -5.04 118.70 125.50 3hoj s GLU 215 Ca 0.00 -0.71 0.01 0.00 0.01 0.00 0.00 54.97 54.28 3hoj s GLU 215 Cb 0.00 -0.53 0.40 0.00 -4.31 0.00 0.00 34.13 29.68 3hoj s GLU 215 CO 0.00 0.12 1.73 -0.09 0.01 0.00 0.00 175.26 177.03 3hoj h ARG 216 N 4.77 0.56 -0.58 1.61 2.43 -1.93 -2.94 114.38 118.29 3hoj h ARG 216 Ca -0.36 -0.19 0.06 0.00 -0.81 0.00 0.00 59.98 58.68 3hoj h ARG 216 Cb 1.19 -0.04 -0.05 0.00 -0.42 0.00 0.00 29.97 30.65 3hoj h ARG 216 CO 0.43 0.72 0.29 -0.91 -1.51 0.00 0.00 179.97 178.98 3hoj h ASN 217 N 0.51 0.39 -0.41 -3.80 2.35 -1.98 0.17 115.58 112.81 3hoj h ASN 217 Ca 0.08 0.04 0.06 0.00 -0.55 0.00 0.00 56.30 55.94 3hoj h ASN 217 Cb 0.61 -0.03 -0.05 0.00 0.05 0.00 0.00 38.32 38.89 3hoj h ASN 217 CO 0.04 0.26 0.09 -0.33 -1.65 0.00 0.00 177.43 175.84 3hoj h GLU 218 N 0.53 0.22 -0.08 0.81 5.08 -1.95 -1.29 114.58 117.91 3hoj h GLU 218 Ca 0.27 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.62 3hoj h GLU 218 Cb 0.21 -0.05 -0.00 0.00 0.50 0.00 0.00 28.75 29.41 3hoj h GLU 218 CO -0.20 0.15 0.05 0.82 -1.00 0.00 0.00 179.01 178.83 3hoj h ILE 219 N 0.23 1.04 -0.19 3.13 2.04 -1.24 -2.31 117.51 120.20 3hoj h ILE 219 Ca 0.20 -0.09 0.02 0.00 1.00 0.00 0.00 64.86 65.99 3hoj h ILE 219 Cb 0.23 0.95 -0.02 0.00 -0.74 0.00 0.00 36.82 37.25 3hoj h ILE 219 CO -0.25 0.03 0.07 -0.33 0.00 0.00 0.00 178.15 177.67 3hoj h GLU 220 N 0.09 0.16 -0.79 2.37 5.08 -0.40 -0.28 114.58 120.80 3hoj h GLU 220 Ca 0.03 -0.01 0.02 0.00 -1.00 0.00 0.00 59.36 58.40 3hoj h GLU 220 Cb 0.01 -0.04 -0.05 0.00 0.50 0.00 0.00 28.75 29.18 3hoj h GLU 220 CO -0.01 0.11 0.51 0.93 -1.00 0.00 0.00 179.01 179.55 3hoj h GLU 221 N 0.17 0.98 -0.12 2.33 5.08 -1.25 -2.63 114.58 119.14 3hoj h GLU 221 Ca 0.08 -0.06 -0.10 0.00 -1.00 0.00 0.00 59.36 58.28 3hoj h GLU 221 Cb 0.04 -0.22 -0.01 0.00 0.50 0.00 0.00 28.75 29.06 3hoj h GLU 221 CO -0.08 0.65 -0.38 -0.07 -1.00 0.00 0.00 179.01 178.13 3hoj h LEU 222 N 1.01 0.26 -1.12 1.33 4.07 -0.98 -2.76 115.31 117.12 3hoj h LEU 222 Ca 0.31 -0.10 -0.07 0.00 0.08 0.00 0.00 57.88 58.09 3hoj h LEU 222 Cb -0.03 -0.07 -0.02 0.00 1.08 0.00 0.00 40.66 41.62 3hoj h LEU 222 CO -0.10 0.62 -0.14 0.03 -1.08 0.00 0.00 178.44 177.78 3hoj h ARG 223 N 0.22 0.45 0.00 1.13 2.47 -0.70 -1.74 114.38 116.21 3hoj h ARG 223 Ca 0.02 -0.13 -0.11 0.00 -1.26 0.00 0.00 59.98 58.51 3hoj h ARG 223 Cb 0.77 -0.05 -0.02 0.00 -1.65 0.00 0.00 29.97 29.03 3hoj h ARG 223 CO 0.06 0.59 -0.51 0.87 0.56 0.00 0.00 179.97 181.53 3hoj h LYS 224 N 0.41 0.00 -0.00 0.04 1.79 -1.40 -2.94 116.57 114.47 3hoj h LYS 224 Ca 0.08 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.55 3hoj h LYS 224 Cb 0.50 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.15 3hoj h LYS 224 CO 0.03 0.51 -0.01 1.28 -1.08 0.00 0.00 179.45 180.19 3hoj n LEU 225 N -3.73 0.05 0.00 2.94 4.32 -0.93 -4.90 117.00 114.75 3hoj n LEU 225 Ca -0.01 0.16 0.00 0.00 -0.02 0.00 0.00 56.01 56.14 3hoj n LEU 225 Cb 0.56 -0.18 0.00 0.00 -1.62 0.00 0.00 43.42 42.18 3hoj n LEU 225 CO 0.40 0.01 0.00 0.61 -1.22 0.00 0.00 177.39 177.19 3hoj n GLY 226 N 1.19 0.65 3.74 -0.72 0.00 -1.04 -4.84 105.19 104.16 3hoj n GLY 226 Ca 0.17 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.78 3hoj n GLY 226 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3hoj s VAL 227 N -2.00 2.39 -0.09 1.61 1.01 -0.70 -4.80 120.40 117.82 3hoj s VAL 227 Ca 0.00 0.31 -0.10 0.00 0.00 0.00 0.00 61.98 62.18 3hoj s VAL 227 Cb 0.00 -3.20 -0.28 0.00 0.00 0.00 0.00 36.38 32.90 3hoj s VAL 227 CO 0.00 0.04 0.53 0.78 0.00 0.00 0.00 175.10 176.45 3hoj h ASN 228 N 5.70 0.50 -5.32 3.32 4.21 -1.60 -3.40 115.58 118.99 3hoj h ASN 228 Ca -0.45 -0.93 -0.12 0.00 1.21 0.00 0.00 56.30 56.01 3hoj h ASN 228 Cb 1.21 -0.16 -0.12 0.00 -1.12 0.00 0.00 38.32 38.13 3hoj h ASN 228 CO 0.84 1.79 -0.35 0.00 -1.29 0.00 0.00 177.43 178.42 3hoj s ALA 229 N -2.55 0.19 -0.08 -0.83 0.00 -0.87 -4.47 121.76 113.15 3hoj s ALA 229 Ca -0.19 -1.04 -0.01 0.00 0.00 0.00 0.00 51.96 50.71 3hoj s ALA 229 Cb 0.06 0.98 0.03 0.00 0.00 0.00 0.00 23.12 24.18 3hoj s ALA 229 CO 0.81 -0.67 -0.00 -0.06 0.00 0.00 0.00 175.76 175.83 3hoj s PHE 230 N -4.01 0.77 -0.26 0.00 0.08 -0.57 -1.28 117.98 112.71 3hoj s PHE 230 Ca 0.22 -0.26 -0.17 0.00 0.12 0.00 0.00 56.93 56.84 3hoj s PHE 230 Cb 0.03 -0.86 -0.03 0.00 -0.57 0.00 0.00 43.02 41.59 3hoj s PHE 230 CO 0.04 -0.36 0.45 0.45 -0.10 0.00 0.00 175.22 175.70 3hoj s SER 231 N 1.94 6.37 -0.10 1.36 0.15 0.42 0.33 113.70 124.18 3hoj s SER 231 Ca 0.05 0.44 -0.00 0.00 0.70 0.00 0.00 55.95 57.14 3hoj s SER 231 Cb -0.13 -2.25 0.02 0.00 -1.71 0.00 0.00 66.02 61.96 3hoj s SER 231 CO -0.06 -0.23 -0.06 -0.63 1.20 0.00 0.00 173.24 173.46 3hoj s ILE 232 N 2.11 0.90 0.00 6.45 1.01 -0.31 -3.88 121.20 127.49 3hoj s ILE 232 Ca 0.19 -0.22 0.00 0.00 0.00 0.00 0.00 60.65 60.62 3hoj s ILE 232 Cb -0.16 -0.94 0.00 0.00 0.01 0.00 0.00 42.46 41.37 3hoj s ILE 232 CO 0.09 0.34 0.00 1.41 0.00 0.00 0.00 174.94 176.79 3hoj n HIS 233 N 4.91 0.00 -0.14 3.97 8.25 -1.26 -0.86 115.22 130.09 3hoj n HIS 233 Ca -0.12 0.00 -0.04 0.00 -0.26 0.00 0.00 57.72 57.29 3hoj n HIS 233 Cb 0.50 0.00 0.02 0.00 1.12 0.00 0.00 29.99 31.63 3hoj n HIS 233 CO 0.00 0.00 0.00 1.03 0.64 0.00 0.00 176.34 178.01 3hoj h SER 234 N 0.00 -0.62 -0.32 0.41 0.87 -1.93 -1.98 113.55 109.99 3hoj h SER 234 Ca 0.00 0.16 -0.01 0.00 -1.23 0.00 0.00 61.79 60.71 3hoj h SER 234 Cb 0.00 0.35 -0.02 0.00 -0.44 0.00 0.00 62.40 62.30 3hoj h SER 234 CO 0.00 -0.21 0.18 -1.28 -0.53 0.00 0.00 176.83 174.99 3hoj h SER 235 N -0.08 0.41 0.49 6.23 0.87 -1.90 -1.92 113.55 117.65 3hoj h SER 235 Ca 0.22 -0.02 -0.29 0.00 -1.23 0.00 0.00 61.79 60.46 3hoj h SER 235 Cb 0.41 -0.10 0.02 0.00 -0.44 0.00 0.00 62.40 62.29 3hoj h SER 235 CO -0.50 0.34 -1.31 -0.07 -0.53 0.00 0.00 176.83 174.76 3hoj h LEU 236 N 0.47 0.58 -1.09 2.23 3.38 -1.65 -2.07 115.31 117.15 3hoj h LEU 236 Ca 0.12 -0.61 0.03 0.00 0.09 0.00 0.00 57.88 57.52 3hoj h LEU 236 Cb 0.02 -0.19 -0.05 0.00 0.09 0.00 0.00 40.66 40.53 3hoj h LEU 236 CO -0.02 1.47 0.61 0.24 0.09 0.00 0.00 178.44 180.83 3hoj h MET 237 N 0.11 1.15 0.00 1.13 2.86 -1.11 -1.38 114.93 117.70 3hoj h MET 237 Ca -0.17 -0.07 -0.12 0.00 -2.06 0.00 0.00 59.70 57.28 3hoj h MET 237 Cb 2.02 -0.26 -0.02 0.00 0.06 0.00 0.00 31.60 33.40 3hoj h MET 237 CO 0.23 0.76 -0.57 0.00 1.06 0.00 0.00 176.91 178.39 3hoj h ARG 238 N 1.19 0.00 -1.39 1.72 3.08 -1.40 -3.41 114.38 114.17 3hoj h ARG 238 Ca 0.37 0.00 -0.24 0.00 0.07 0.00 0.00 59.98 60.18 3hoj h ARG 238 Cb -0.01 0.00 -0.23 0.00 0.08 0.00 0.00 29.97 29.81 3hoj h ARG 238 CO -0.11 0.57 -0.60 1.21 -1.07 0.00 0.00 179.97 179.98 3hoj s ASN 239 N -6.50 -0.56 0.51 7.04 3.84 -0.78 -5.03 114.94 113.46 3hoj s ASN 239 Ca 0.03 -1.75 0.22 0.00 0.21 0.00 0.00 52.86 51.57 3hoj s ASN 239 Cb 0.09 1.30 1.32 0.00 -0.55 0.00 0.00 41.25 43.41 3hoj s ASN 239 CO 0.75 -0.13 2.01 -0.65 -2.79 0.00 0.00 177.10 176.29 3hoj h PRO 240 N 5.85 0.06 0.00 0.43 0.11 -1.50 -1.78 132.00 135.17 3hoj h PRO 240 Ca 0.09 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.20 3hoj h PRO 240 Cb 1.08 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.18 3hoj h PRO 240 CO 0.12 0.04 0.00 0.93 -0.21 0.00 0.00 178.00 178.88 3hoj h GLU 241 N 0.07 0.00 0.00 1.05 4.39 -1.95 -2.74 114.58 115.40 3hoj h GLU 241 Ca 0.23 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.93 3hoj h GLU 241 Cb 0.82 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.47 3hoj h GLU 241 CO -0.02 0.00 0.00 0.87 -1.16 0.00 0.00 179.01 178.70 3hoj h LYS 242 N 0.00 0.00 -0.68 2.33 1.57 -1.67 -2.39 116.57 115.74 3hoj h LYS 242 Ca 0.00 0.00 0.08 0.00 -1.87 0.00 0.00 60.65 58.86 3hoj h LYS 242 Cb 0.23 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.50 3hoj h LYS 242 CO 0.00 0.00 0.45 0.97 -0.57 0.00 0.00 179.45 180.30 3hoj h ILE 243 N 0.00 0.96 0.00 1.86 6.09 -1.70 0.42 117.51 125.14 3hoj h ILE 243 Ca 0.00 -0.21 -0.08 0.00 -1.37 0.00 0.00 64.86 63.20 3hoj h ILE 243 Cb 0.24 0.30 -0.01 0.00 0.47 0.00 0.00 36.82 37.81 3hoj h ILE 243 CO 0.00 0.11 -0.40 0.11 -3.07 0.00 0.00 178.15 174.90 3hoj h LYS 244 N 0.61 0.00 -0.01 2.19 1.57 -1.67 -2.90 116.57 116.36 3hoj h LYS 244 Ca 0.30 0.00 -0.06 0.00 -1.87 0.00 0.00 60.65 59.02 3hoj h LYS 244 Cb 0.39 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.70 3hoj h LYS 244 CO -0.10 0.40 -0.24 0.93 -0.57 0.00 0.00 179.45 179.87 3hoj h GLU 245 N 0.00 0.19 0.00 3.15 5.08 -1.34 -3.37 114.58 118.29 3hoj h GLU 245 Ca -0.00 -0.18 -0.01 0.00 -1.00 0.00 0.00 59.36 58.17 3hoj h GLU 245 Cb 0.82 0.05 -0.00 0.00 0.50 0.00 0.00 28.75 30.12 3hoj h GLU 245 CO 0.05 0.90 -0.03 0.74 -1.00 0.00 0.00 179.01 179.67 3hoj h PHE 246 N -0.45 0.00 -0.65 4.33 0.04 -0.85 -1.95 116.94 117.42 3hoj h PHE 246 Ca -0.03 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.74 3hoj h PHE 246 Cb 0.97 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.12 3hoj h PHE 246 CO 0.17 0.03 0.00 0.44 -0.60 0.00 0.00 178.31 178.35 3hoj n ILE 247 N -3.65 0.99 1.36 -0.55 -5.35 -1.11 -4.97 119.36 106.08 3hoj n ILE 247 Ca -0.03 -0.90 0.11 0.00 -0.27 0.00 0.00 62.75 61.66 3hoj n ILE 247 Cb 0.12 0.39 0.65 0.00 -1.74 0.00 0.00 39.64 39.06 3hoj n ILE 247 CO 0.00 0.00 0.00 0.18 -1.76 0.00 0.00 176.55 174.97