#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ham s VAL 2 N 0.00 5.02 0.04 3.17 1.01 -1.26 -5.10 120.40 123.28 3ham s VAL 2 Ca 0.00 0.03 -0.06 0.00 0.00 0.00 0.00 61.98 61.95 3ham s VAL 2 Cb 0.00 -3.17 -0.01 0.00 0.00 0.00 0.00 36.38 33.20 3ham s VAL 2 CO 0.00 0.59 0.10 0.54 0.00 0.00 0.00 175.10 176.34 3ham s ASN 3 N -0.81 0.18 -0.18 3.32 2.20 -1.26 -5.13 114.94 113.26 3ham s ASN 3 Ca 0.13 -0.55 -0.22 0.00 -0.94 0.00 0.00 52.86 51.28 3ham s ASN 3 Cb -0.12 0.24 -0.02 0.00 -2.00 0.00 0.00 41.25 39.35 3ham s ASN 3 CO 0.03 -0.52 0.70 -0.22 -2.94 0.00 0.00 177.10 174.15 3ham s LEU 4 N -2.18 4.16 -0.19 3.54 0.20 -1.26 -4.99 118.68 117.95 3ham s LEU 4 Ca -0.04 0.96 -0.38 0.00 0.69 0.00 0.00 54.13 55.36 3ham s LEU 4 Cb -0.01 -3.02 -0.14 0.00 -0.43 0.00 0.00 46.19 42.60 3ham s LEU 4 CO -0.05 -0.31 1.79 -0.67 -0.29 0.00 0.00 176.35 176.82 3ham n ASP 5 N 5.08 2.81 -0.50 3.68 4.64 -1.26 -4.70 116.55 126.31 3ham n ASP 5 Ca 0.01 1.03 0.41 0.00 -1.38 0.00 0.00 54.79 54.86 3ham n ASP 5 Cb 0.49 -1.24 0.72 0.00 -1.04 0.00 0.00 41.12 40.06 3ham n ASP 5 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 3ham h ALA 6 N 7.96 3.15 -0.19 -1.67 0.00 -1.98 0.39 119.26 126.91 3ham h ALA 6 Ca -0.47 0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.41 3ham h ALA 6 Cb 1.30 0.15 -0.01 0.00 0.00 0.00 0.00 17.79 19.23 3ham h ALA 6 CO 0.95 -1.68 -0.05 0.93 0.00 0.00 0.00 179.25 179.41 3ham h GLU 7 N 0.06 0.38 -0.30 0.00 5.08 -1.99 -0.93 114.58 116.88 3ham h GLU 7 Ca 0.79 -0.14 -0.15 0.00 -1.00 0.00 0.00 59.36 58.85 3ham h GLU 7 Cb 2.82 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 32.04 3ham h GLU 7 CO -0.19 0.63 -0.42 0.82 -1.00 0.00 0.00 179.01 178.85 3ham h ILE 8 N 0.09 1.29 -0.94 3.13 2.04 -0.68 -1.10 117.51 121.34 3ham h ILE 8 Ca 0.05 -1.60 0.06 0.00 1.00 0.00 0.00 64.86 64.36 3ham h ILE 8 Cb 0.49 1.51 -0.06 0.00 -0.74 0.00 0.00 36.82 38.02 3ham h ILE 8 CO 0.02 0.52 0.60 0.22 0.00 0.00 0.00 178.15 179.51 3ham h TYR 9 N 0.61 1.12 -0.41 1.37 3.20 -0.89 0.34 116.97 122.30 3ham h TYR 9 Ca 0.04 0.03 -0.09 0.00 3.14 0.00 0.00 58.73 61.85 3ham h TYR 9 Cb 0.98 -0.37 -0.02 0.00 1.54 0.00 0.00 36.73 38.86 3ham h TYR 9 CO 0.05 0.59 -0.12 1.49 -1.64 0.00 0.00 178.16 178.54 3ham h GLU 10 N 1.12 0.74 -0.24 1.82 4.22 -0.67 -2.13 114.58 119.44 3ham h GLU 10 Ca 0.40 -0.25 -0.18 0.00 0.08 0.00 0.00 59.36 59.41 3ham h GLU 10 Cb 0.13 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.32 3ham h GLU 10 CO -0.16 0.83 -0.57 0.45 -2.18 0.00 0.00 179.01 177.38 3ham h HIS 11 N 0.67 1.04 -0.38 0.92 3.86 -0.40 -2.85 115.15 118.02 3ham h HIS 11 Ca 0.11 -0.39 0.06 0.00 -1.16 0.00 0.00 60.37 59.00 3ham h HIS 11 Cb 0.58 -0.19 -0.06 0.00 1.06 0.00 0.00 27.41 28.81 3ham h HIS 11 CO 0.03 1.21 0.03 1.25 0.86 0.00 0.00 177.93 181.31 3ham h LEU 12 N 0.56 -0.09 -1.72 2.43 6.46 -0.11 -0.19 115.31 122.66 3ham h LEU 12 Ca -0.00 0.08 -0.01 0.00 -0.12 0.00 0.00 57.88 57.83 3ham h LEU 12 Cb 1.18 0.13 -0.00 0.00 -0.73 0.00 0.00 40.66 41.24 3ham h LEU 12 CO 0.12 -0.01 -0.03 -1.13 -0.62 0.00 0.00 178.44 176.77 3ham h ASN 13 N 0.14 0.00 -0.07 1.25 -1.24 -1.44 0.11 115.58 114.33 3ham h ASN 13 Ca 0.18 0.00 -0.21 0.00 0.71 0.00 0.00 56.30 56.98 3ham h ASN 13 Cb 0.24 0.00 0.01 0.00 0.73 0.00 0.00 38.32 39.30 3ham h ASN 13 CO -0.28 0.03 -0.75 0.11 -1.29 0.00 0.00 177.43 175.25 3ham h LYS 14 N 0.00 0.72 0.03 6.67 1.57 -0.81 -3.35 116.57 121.40 3ham h LYS 14 Ca -0.00 -0.57 -0.11 0.00 -1.87 0.00 0.00 60.65 58.10 3ham h LYS 14 Cb 0.44 0.11 0.01 0.00 0.08 0.00 0.00 32.23 32.87 3ham h LYS 14 CO 0.00 1.19 -0.43 1.96 -0.57 0.00 0.00 179.45 181.60 3ham h GLN 15 N 0.50 0.23 -3.19 3.15 1.08 -0.75 -3.46 115.11 112.66 3ham h GLN 15 Ca -0.04 -0.30 -0.30 0.00 -1.45 0.00 0.00 58.65 56.56 3ham h GLN 15 Cb 1.36 0.09 -0.36 0.00 -0.05 0.00 0.00 27.48 28.53 3ham h GLN 15 CO 0.15 1.05 -0.66 0.42 -0.95 0.00 0.00 178.83 178.84 3ham s ILE 16 N -2.85 -0.18 -0.25 2.54 1.01 0.33 -5.11 121.20 116.69 3ham s ILE 16 Ca -0.15 0.33 -0.34 0.00 0.00 0.00 0.00 60.65 60.49 3ham s ILE 16 Cb 0.01 -0.24 -0.11 0.00 0.01 0.00 0.00 42.46 42.13 3ham s ILE 16 CO 0.77 0.14 2.06 1.17 0.00 0.00 0.00 174.94 179.08 3ham n LYS 17 N 5.05 1.52 -2.50 2.79 4.81 -1.26 -3.98 118.16 124.59 3ham n LYS 17 Ca -0.10 0.48 -0.43 0.00 -0.87 0.00 0.00 58.31 57.40 3ham n LYS 17 Cb 0.50 -2.58 -0.02 0.00 0.02 0.00 0.00 35.03 32.95 3ham n LYS 17 CO 0.00 0.00 0.00 0.42 1.17 0.00 0.00 177.40 178.99 3ham s ILE 18 N 6.14 4.41 -0.17 3.15 1.01 -1.26 -4.86 121.20 129.62 3ham s ILE 18 Ca 1.02 1.71 0.04 0.00 0.00 0.00 0.00 60.65 63.42 3ham s ILE 18 Cb -0.76 -4.10 -0.13 0.00 0.01 0.00 0.00 42.46 37.47 3ham s ILE 18 CO 0.50 -0.15 -0.11 0.59 0.00 0.00 0.00 174.94 175.77 3ham n ASN 19 N 6.48 2.34 -4.07 3.58 3.02 -1.26 -4.99 115.26 120.36 3ham n ASN 19 Ca 0.13 -0.07 -0.13 0.00 -0.03 0.00 0.00 54.58 54.48 3ham n ASN 19 Cb 0.45 -0.00 -0.11 0.00 -0.61 0.00 0.00 39.78 39.51 3ham n ASN 19 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 3ham s GLU 20 N -2.35 0.55 -0.19 3.52 2.02 -1.26 -5.00 118.70 115.99 3ham s GLU 20 Ca -0.20 -0.80 -0.05 0.00 0.02 0.00 0.00 54.97 53.95 3ham s GLU 20 Cb 0.06 -0.28 0.07 0.00 0.10 0.00 0.00 34.13 34.07 3ham s GLU 20 CO 0.46 0.04 0.11 -1.17 0.02 0.00 0.00 175.26 174.72 3ham s LEU 21 N -1.68 0.29 -0.04 1.80 1.98 -1.26 -1.49 118.68 118.28 3ham s LEU 21 Ca -0.09 -0.62 0.03 0.00 -2.89 0.00 0.00 54.13 50.57 3ham s LEU 21 Cb -0.09 -0.16 -0.03 0.00 0.66 0.00 0.00 46.19 46.57 3ham s LEU 21 CO 0.00 -0.35 -0.11 -0.60 -1.89 0.00 0.00 176.35 173.39 3ham s ARG 22 N 2.16 2.56 0.17 1.98 3.52 0.31 -4.95 118.95 124.70 3ham s ARG 22 Ca 0.03 -0.67 -0.30 0.00 -0.13 0.00 0.00 55.73 54.66 3ham s ARG 22 Cb -0.16 -2.45 -0.07 0.00 -1.56 0.00 0.00 34.95 30.71 3ham s ARG 22 CO -0.12 0.63 1.11 -0.47 -0.81 0.00 0.00 175.30 175.64 3ham s TYR 23 N -0.80 3.57 -0.02 5.12 5.04 -1.26 0.16 117.35 129.16 3ham s TYR 23 Ca 0.13 1.56 -0.04 0.00 -2.44 0.00 0.00 57.07 56.28 3ham s TYR 23 Cb -0.11 -3.30 -0.01 0.00 0.35 0.00 0.00 41.96 38.89 3ham s TYR 23 CO 0.02 -0.70 -0.08 1.28 -1.34 0.00 0.00 175.55 174.73 3ham n LEU 24 N 2.50 0.67 0.00 6.97 4.77 -0.18 -4.80 117.00 126.93 3ham n LEU 24 Ca 0.03 0.10 -0.15 0.00 -0.03 0.00 0.00 56.01 55.97 3ham n LEU 24 Cb 0.46 -0.39 -0.05 0.00 -2.33 0.00 0.00 43.42 41.11 3ham n LEU 24 CO 0.54 -0.50 0.04 -1.54 -1.33 0.00 0.00 177.39 174.60 3ham n SER 25 N -3.15 -0.94 -2.79 -1.43 3.41 -1.02 -5.02 113.62 102.68 3ham n SER 25 Ca -0.03 -2.80 -0.03 0.00 -0.26 0.00 0.00 58.87 55.75 3ham n SER 25 Cb 0.12 1.90 0.01 0.00 -0.26 0.00 0.00 64.21 65.99 3ham n SER 25 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 3ham s SER 26 N -2.99 -1.07 0.00 4.04 0.15 -1.26 -0.58 113.70 111.99 3ham s SER 26 Ca 0.30 -1.15 0.00 0.00 0.70 0.00 0.00 55.95 55.80 3ham s SER 26 Cb 0.00 1.39 0.00 0.00 -1.71 0.00 0.00 66.02 65.71 3ham s SER 26 CO 0.21 -0.05 0.00 0.61 1.20 0.00 0.00 173.24 175.21 3ham n GLY 27 N 3.05 -2.97 0.14 9.45 0.00 -0.82 -4.92 105.19 109.12 3ham n GLY 27 Ca 0.15 -1.17 -0.23 0.00 0.00 0.00 0.00 46.02 44.76 3ham n GLY 27 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3ham h ASP 28 N 0.00 0.62 0.04 1.61 3.32 -2.02 -3.40 116.42 116.59 3ham h ASP 28 Ca 0.00 -0.93 -0.00 0.00 0.02 0.00 0.00 57.03 56.12 3ham h ASP 28 Cb 0.00 -0.20 0.00 0.00 0.22 0.00 0.00 39.33 39.35 3ham h ASP 28 CO 0.00 1.75 -0.02 0.44 -1.72 0.00 0.00 179.24 179.70 3ham h ASP 29 N 0.05 -0.04 -4.59 6.45 3.32 -1.98 -3.46 116.42 116.17 3ham h ASP 29 Ca -0.33 -0.60 -0.28 0.00 0.02 0.00 0.00 57.03 55.85 3ham h ASP 29 Cb 2.06 0.01 -0.15 0.00 0.22 0.00 0.00 39.33 41.47 3ham h ASP 29 CO 0.17 0.61 -0.66 -0.94 -1.72 0.00 0.00 179.24 176.70 3ham s SER 30 N -5.79 1.14 -0.01 6.45 1.04 -1.26 -1.76 113.70 113.50 3ham s SER 30 Ca -0.16 -1.18 -0.10 0.00 0.48 0.00 0.00 55.95 55.00 3ham s SER 30 Cb -0.00 0.13 -0.05 0.00 0.10 0.00 0.00 66.02 66.20 3ham s SER 30 CO 0.63 -0.58 0.31 -1.81 0.98 0.00 0.00 173.24 172.77 3ham s ASP 31 N -3.16 6.61 -0.16 7.02 1.01 0.02 -1.94 116.67 126.07 3ham s ASP 31 Ca 0.24 0.72 0.02 0.00 0.71 0.00 0.00 52.55 54.24 3ham s ASP 31 Cb 0.06 -2.16 0.01 0.00 1.01 0.00 0.00 42.92 41.84 3ham s ASP 31 CO 0.04 0.30 -0.20 -0.89 0.21 0.00 0.00 175.17 174.62 3ham s THR 32 N -1.19 2.19 0.14 -1.27 2.01 0.25 -0.96 115.64 116.83 3ham s THR 32 Ca 0.25 -0.92 0.11 0.00 0.31 0.00 0.00 61.69 61.43 3ham s THR 32 Cb -0.14 -1.90 -0.04 0.00 0.01 0.00 0.00 72.50 70.43 3ham s THR 32 CO 0.13 0.54 -0.25 -0.36 -0.69 0.00 0.00 174.62 173.99 3ham s PHE 33 N 0.96 2.20 -0.14 4.92 0.40 0.12 -1.01 117.98 125.44 3ham s PHE 33 Ca -0.03 -0.39 -0.01 0.00 -0.60 0.00 0.00 56.93 55.90 3ham s PHE 33 Cb -0.15 -1.16 -0.02 0.00 0.51 0.00 0.00 43.02 42.20 3ham s PHE 33 CO -0.05 0.36 -0.10 -1.17 0.70 0.00 0.00 175.22 174.96 3ham s LEU 34 N -2.22 2.88 -0.06 -0.37 0.20 0.44 0.18 118.68 119.72 3ham s LEU 34 Ca 0.15 -0.27 0.06 0.00 0.69 0.00 0.00 54.13 54.75 3ham s LEU 34 Cb -0.09 -1.67 -0.01 0.00 -0.43 0.00 0.00 46.19 43.99 3ham s LEU 34 CO 0.07 0.16 -0.23 0.00 -0.29 0.00 0.00 176.35 176.06 3ham n ASN 36 N 3.01 -3.65 -1.63 0.00 3.02 -0.56 -0.82 115.26 114.64 3ham n ASN 36 Ca -0.18 0.15 -0.16 0.00 -0.03 0.00 0.00 54.58 54.37 3ham n ASN 36 Cb 0.52 -2.80 -0.03 0.00 -0.61 0.00 0.00 39.78 36.87 3ham n ASN 36 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 3ham n GLU 37 N -0.53 -1.22 0.00 3.52 -0.58 -1.26 -4.82 120.64 115.74 3ham n GLU 37 Ca -0.06 0.87 0.00 0.00 -0.42 0.00 0.00 57.16 57.55 3ham n GLU 37 Cb 0.37 -5.19 0.00 0.00 -0.57 0.00 0.00 31.44 26.05 3ham n GLU 37 CO 0.00 0.00 0.00 1.04 -0.48 0.00 0.00 177.13 177.69 3ham n GLN 38 N -2.54 0.00 -3.88 3.49 6.02 -0.00 -4.94 117.38 115.53 3ham n GLN 38 Ca -0.18 0.00 -0.35 0.00 -0.01 0.00 0.00 57.00 56.45 3ham n GLN 38 Cb 0.61 -0.44 -0.14 0.00 1.02 0.00 0.00 30.24 31.29 3ham n GLN 38 CO 0.00 0.00 0.00 0.71 -1.01 0.00 0.00 177.06 176.76 3ham s TYR 39 N -1.00 3.05 -0.47 1.08 1.51 -0.23 0.23 117.35 121.52 3ham s TYR 39 Ca 0.00 -1.12 -0.24 0.00 -1.01 0.00 0.00 57.07 54.70 3ham s TYR 39 Cb 0.00 -2.14 0.03 0.00 -0.11 0.00 0.00 41.96 39.74 3ham s TYR 39 CO 0.00 -0.60 0.87 0.08 -1.11 0.00 0.00 175.55 174.78 3ham s VAL 40 N 1.44 4.53 -0.21 0.71 1.01 0.00 -0.11 120.40 127.78 3ham s VAL 40 Ca 0.03 0.53 -0.21 0.00 0.00 0.00 0.00 61.98 62.34 3ham s VAL 40 Cb -0.16 -4.40 -0.02 0.00 0.00 0.00 0.00 36.38 31.79 3ham s VAL 40 CO -0.02 -0.83 0.62 -0.69 0.00 0.00 0.00 175.10 174.18 3ham s VAL 41 N 3.59 5.02 -0.14 2.92 1.01 0.48 -2.12 120.40 131.15 3ham s VAL 41 Ca 0.33 1.16 -0.03 0.00 0.00 0.00 0.00 61.98 63.44 3ham s VAL 41 Cb -0.11 -3.93 -0.03 0.00 0.00 0.00 0.00 36.38 32.31 3ham s VAL 41 CO 0.24 0.10 -0.05 -0.54 0.00 0.00 0.00 175.10 174.85 3ham s LYS 42 N 1.98 3.51 -0.25 2.72 1.02 0.49 0.16 119.74 129.36 3ham s LYS 42 Ca 0.28 -0.53 -0.01 0.00 0.02 0.00 0.00 55.97 55.73 3ham s LYS 42 Cb -0.16 -2.84 0.07 0.00 -0.52 0.00 0.00 37.83 34.38 3ham s LYS 42 CO 0.10 0.31 0.02 0.08 -0.92 0.00 0.00 175.35 174.94 3ham s VAL 43 N 0.16 1.11 0.72 3.17 1.01 -0.13 -0.96 120.40 125.48 3ham s VAL 43 Ca -0.02 -1.13 -0.16 0.00 0.00 0.00 0.00 61.98 60.67 3ham s VAL 43 Cb -0.14 -1.59 0.03 0.00 0.00 0.00 0.00 36.38 34.69 3ham s VAL 43 CO 0.03 -0.30 1.23 -2.84 0.00 0.00 0.00 175.10 173.22 3ham s PRO 44 N 1.56 2.18 -0.24 2.72 0.02 -1.26 -0.80 135.00 139.19 3ham s PRO 44 Ca 0.00 1.84 -0.14 0.00 0.02 0.00 0.00 61.00 62.72 3ham s PRO 44 Cb -0.18 -1.83 -0.10 0.00 0.02 0.00 0.00 34.50 32.41 3ham s PRO 44 CO -0.11 -1.82 -0.34 1.63 -0.33 0.00 0.00 177.00 176.02 3ham n LYS 45 N -2.57 0.55 -1.00 5.54 5.02 -0.72 -4.83 118.16 120.15 3ham n LYS 45 Ca 0.14 0.24 -0.13 0.00 -2.02 0.00 0.00 58.31 56.54 3ham n LYS 45 Cb 0.50 -1.43 0.08 0.00 -0.02 0.00 0.00 35.03 34.16 3ham n LYS 45 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 3ham n ARG 46 N -4.24 -0.39 0.02 1.97 1.74 -1.26 -5.02 116.66 109.47 3ham n ARG 46 Ca -0.43 -0.99 -0.13 0.00 -0.77 0.00 0.00 57.85 55.53 3ham n ARG 46 Cb 0.78 -0.55 -0.14 0.00 -1.02 0.00 0.00 32.46 31.53 3ham n ARG 46 CO 0.00 0.00 0.00 -0.44 -1.52 0.00 0.00 177.63 175.67 3ham h ASP 47 N -0.67 0.18 0.54 0.55 3.45 -1.98 -3.33 116.42 115.16 3ham h ASP 47 Ca -0.18 -0.30 -0.12 0.00 0.43 0.00 0.00 57.03 56.85 3ham h ASP 47 Cb 0.54 -0.06 -0.02 0.00 -0.56 0.00 0.00 39.33 39.23 3ham h ASP 47 CO 0.14 1.26 -0.57 0.77 -1.57 0.00 0.00 179.24 179.28 3ham h SER 48 N 0.03 0.03 1.67 6.45 4.64 -1.99 -2.17 113.55 122.21 3ham h SER 48 Ca -0.25 -0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.05 3ham h SER 48 Cb 1.98 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 64.06 3ham h SER 48 CO 0.11 0.59 0.00 0.58 -0.87 0.00 0.00 176.83 177.24 3ham h VAL 49 N 0.02 0.00 -0.07 0.95 2.07 -1.91 0.13 116.25 117.44 3ham h VAL 49 Ca -0.01 -0.76 -0.03 0.00 0.82 0.00 0.00 66.70 66.72 3ham h VAL 49 Cb 1.01 1.75 -0.00 0.00 -1.52 0.00 0.00 31.29 32.53 3ham h VAL 49 CO 0.08 0.00 -0.08 0.03 0.02 0.00 0.00 177.57 177.61 3ham h ARG 50 N 0.00 0.18 0.26 1.57 3.08 -1.51 -2.49 114.38 115.46 3ham h ARG 50 Ca 0.00 -0.10 -0.01 0.00 0.07 0.00 0.00 59.98 59.94 3ham h ARG 50 Cb 0.83 0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.89 3ham h ARG 50 CO 0.00 0.63 -0.13 0.82 -1.07 0.00 0.00 179.97 180.23 3ham h ILE 51 N -0.27 0.00 -1.00 2.04 2.04 -1.24 -1.73 117.51 117.36 3ham h ILE 51 Ca 0.01 -0.00 0.36 0.00 1.00 0.00 0.00 64.86 66.23 3ham h ILE 51 Cb 0.61 0.00 -0.16 0.00 -0.74 0.00 0.00 36.82 36.52 3ham h ILE 51 CO 0.02 0.00 0.53 -1.28 0.00 0.00 0.00 178.15 177.42 3ham h SER 52 N -0.35 0.38 1.04 1.72 0.87 -0.88 0.11 113.55 116.44 3ham h SER 52 Ca -0.04 0.23 -0.18 0.00 -1.23 0.00 0.00 61.79 60.57 3ham h SER 52 Cb 0.27 0.21 -0.03 0.00 -0.44 0.00 0.00 62.40 62.42 3ham h SER 52 CO 0.06 -0.28 -0.84 -0.61 -0.53 0.00 0.00 176.83 174.62 3ham h GLN 53 N 0.16 0.00 -0.10 2.24 4.15 -1.35 -2.13 115.11 118.08 3ham h GLN 53 Ca 0.78 0.00 0.04 0.00 0.77 0.00 0.00 58.65 60.24 3ham h GLN 53 Cb 1.91 0.00 -0.06 0.00 0.21 0.00 0.00 27.48 29.54 3ham h GLN 53 CO -0.69 0.84 -0.28 -0.22 -1.93 0.00 0.00 178.83 176.55 3ham h LYS 54 N 0.00 -0.36 -0.51 1.69 3.64 0.16 -1.62 116.57 119.58 3ham h LYS 54 Ca -0.01 0.02 0.04 0.00 -1.27 0.00 0.00 60.65 59.44 3ham h LYS 54 Cb 1.59 0.08 -0.04 0.00 -0.41 0.00 0.00 32.23 33.45 3ham h LYS 54 CO 0.11 -0.24 0.26 0.00 -2.27 0.00 0.00 179.45 177.32 3ham h ARG 55 N -0.37 0.50 -0.63 1.90 3.08 -1.38 -1.84 114.38 115.64 3ham h ARG 55 Ca 0.09 -0.03 0.13 0.00 0.07 0.00 0.00 59.98 60.24 3ham h ARG 55 Cb 0.51 -0.11 -0.10 0.00 0.08 0.00 0.00 29.97 30.35 3ham h ARG 55 CO -0.31 0.33 0.08 1.49 -1.07 0.00 0.00 179.97 180.49 3ham h GLU 56 N 0.52 0.19 0.00 0.04 4.81 -0.89 0.10 114.58 119.36 3ham h GLU 56 Ca 0.22 -0.01 -0.10 0.00 -0.13 0.00 0.00 59.36 59.34 3ham h GLU 56 Cb 0.11 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.43 3ham h GLU 56 CO -0.14 0.13 -0.45 0.74 -0.73 0.00 0.00 179.01 178.55 3ham h PHE 57 N 0.20 0.00 -0.27 0.92 -1.00 -0.97 -1.60 116.94 114.22 3ham h PHE 57 Ca 0.34 0.00 -0.13 0.00 2.81 0.00 0.00 57.97 60.98 3ham h PHE 57 Cb 0.54 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 40.09 3ham h PHE 57 CO -0.30 0.45 -0.38 0.93 -1.61 0.00 0.00 178.31 177.41 3ham h GLU 58 N 0.00 0.62 -0.50 1.51 5.08 -0.60 -1.95 114.58 118.74 3ham h GLU 58 Ca -0.00 -0.31 -0.00 0.00 -1.00 0.00 0.00 59.36 58.05 3ham h GLU 58 Cb 1.35 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.57 3ham h GLU 58 CO 0.06 0.90 0.31 1.25 -1.00 0.00 0.00 179.01 180.53 3ham h LEU 59 N 0.52 0.60 -0.91 1.33 5.85 -0.13 -1.20 115.31 121.36 3ham h LEU 59 Ca 0.05 -0.05 0.01 0.00 0.84 0.00 0.00 57.88 58.73 3ham h LEU 59 Cb 0.89 -0.15 -0.05 0.00 0.37 0.00 0.00 40.66 41.72 3ham h LEU 59 CO 0.08 0.48 0.60 1.88 -0.34 0.00 0.00 178.44 181.13 3ham h TYR 60 N 0.67 1.13 0.19 1.25 0.99 -1.14 -0.37 116.97 119.70 3ham h TYR 60 Ca 0.18 0.03 0.01 0.00 2.00 0.00 0.00 58.73 60.95 3ham h TYR 60 Cb -0.02 -0.38 -0.04 0.00 1.00 0.00 0.00 36.73 37.29 3ham h TYR 60 CO -0.03 0.70 -0.36 0.00 -0.00 0.00 0.00 178.16 178.47 3ham h ARG 61 N 1.21 -0.61 -0.88 4.88 2.47 -0.97 -2.71 114.38 117.78 3ham h ARG 61 Ca 0.34 0.04 0.08 0.00 -1.26 0.00 0.00 59.98 59.18 3ham h ARG 61 Cb -0.12 0.14 -0.06 0.00 -1.65 0.00 0.00 29.97 28.28 3ham h ARG 61 CO -0.08 -0.41 0.57 0.35 0.56 0.00 0.00 179.97 180.96 3ham h PHE 62 N -0.64 0.97 0.00 3.04 3.57 -0.73 -2.37 116.94 120.77 3ham h PHE 62 Ca 0.01 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.54 3ham h PHE 62 Cb 0.64 -0.31 0.00 0.00 2.79 0.00 0.00 35.95 39.06 3ham h PHE 62 CO -0.29 0.47 0.00 -0.07 -2.23 0.00 0.00 178.31 176.19 3ham h LEU 63 N 0.92 0.00 0.00 0.59 4.07 -0.76 -3.17 115.31 116.96 3ham h LEU 63 Ca 0.39 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.35 3ham h LEU 63 Cb 0.32 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.06 3ham h LEU 63 CO -0.16 0.00 0.00 -1.84 -1.08 0.00 0.00 178.44 175.36 3ham n GLU 64 N -2.54 0.25 -0.76 1.13 0.28 -0.89 -1.65 120.64 116.45 3ham n GLU 64 Ca 0.01 0.12 -0.02 0.00 -0.16 0.00 0.00 57.16 57.10 3ham n GLU 64 Cb 0.21 -1.50 0.20 0.00 1.43 0.00 0.00 31.44 31.78 3ham n GLU 64 CO 0.00 0.00 0.00 0.09 -0.16 0.00 0.00 177.13 177.06 3ham n ASN 65 N -1.21 2.33 -0.02 -1.84 4.13 -1.20 -4.82 115.26 112.63 3ham n ASN 65 Ca 0.07 -3.80 -0.01 0.00 1.68 0.00 0.00 54.58 52.53 3ham n ASN 65 Cb 0.09 -0.61 -0.06 0.00 -1.54 0.00 0.00 39.78 37.66 3ham n ASN 65 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3ham n LYS 67 N -2.08 -1.45 -4.23 0.00 4.01 -1.26 -5.05 118.16 108.09 3ham n LYS 67 Ca -0.08 1.48 -0.31 0.00 -0.51 0.00 0.00 58.31 58.90 3ham n LYS 67 Cb 0.53 -3.79 -0.09 0.00 -0.51 0.00 0.00 35.03 31.17 3ham n LYS 67 CO 0.00 0.00 0.00 -0.51 -1.11 0.00 0.00 177.40 175.78 3ham s LEU 68 N -1.74 3.27 0.00 -0.35 1.43 -1.26 -4.99 118.68 115.04 3ham s LEU 68 Ca 0.12 -0.23 0.14 0.00 -1.03 0.00 0.00 54.13 53.12 3ham s LEU 68 Cb -0.03 -1.99 0.82 0.00 0.03 0.00 0.00 46.19 45.02 3ham s LEU 68 CO 0.43 0.20 1.32 -1.20 0.23 0.00 0.00 176.35 177.34 3ham n SER 69 N 0.85 0.00 -3.93 2.29 7.64 -1.26 -4.82 113.62 114.39 3ham n SER 69 Ca -0.13 -0.96 -0.10 0.00 1.01 0.00 0.00 58.87 58.70 3ham n SER 69 Cb 0.52 0.00 -0.10 0.00 -1.01 0.00 0.00 64.21 63.62 3ham n SER 69 CO 0.00 0.00 0.00 -0.31 -3.01 0.00 0.00 175.04 171.72 3ham s TYR 70 N -2.00 0.17 0.27 1.43 1.51 -1.26 -5.07 117.35 112.40 3ham s TYR 70 Ca 0.21 -0.38 -0.30 0.00 -1.01 0.00 0.00 57.07 55.59 3ham s TYR 70 Cb 0.09 -0.13 -0.10 0.00 -0.11 0.00 0.00 41.96 41.71 3ham s TYR 70 CO 0.16 -0.26 1.46 -0.65 -1.11 0.00 0.00 175.55 175.14 3ham s GLN 71 N -1.66 4.24 0.17 -0.62 -1.52 -0.78 -4.89 119.66 114.61 3ham s GLN 71 Ca -0.13 2.35 0.07 0.00 -1.95 0.00 0.00 55.36 55.70 3ham s GLN 71 Cb -0.07 -3.08 -0.04 0.00 -0.22 0.00 0.00 33.01 29.59 3ham s GLN 71 CO -0.01 -0.44 -0.14 0.96 -0.25 0.00 0.00 175.29 175.41 3ham s ILE 72 N -0.17 1.59 0.30 1.08 -5.25 -1.26 -1.32 121.20 116.17 3ham s ILE 72 Ca 0.59 -2.06 -0.29 0.00 -0.99 0.00 0.00 60.65 57.90 3ham s ILE 72 Cb -0.43 -1.89 -0.13 0.00 2.95 0.00 0.00 42.46 42.96 3ham s ILE 72 CO 0.46 -0.55 1.23 -2.65 -1.79 0.00 0.00 174.94 171.64 3ham n PRO 73 N -0.09 1.87 -4.50 0.37 -0.02 -1.26 -4.98 135.00 126.39 3ham n PRO 73 Ca -0.10 0.66 -0.34 0.00 -2.02 0.00 0.00 63.50 61.69 3ham n PRO 73 Cb 0.59 -2.19 -0.10 0.00 -0.02 0.00 0.00 33.50 31.78 3ham n PRO 73 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3ham s ALA 74 N -0.88 3.12 -0.22 3.55 0.00 -1.26 -4.88 121.76 121.19 3ham s ALA 74 Ca 0.59 -0.86 -0.19 0.00 0.00 0.00 0.00 51.96 51.50 3ham s ALA 74 Cb -0.63 -1.34 -0.03 0.00 0.00 0.00 0.00 23.12 21.13 3ham s ALA 74 CO 0.59 0.58 0.54 0.08 0.00 0.00 0.00 175.76 177.55 3ham s VAL 75 N -0.86 5.08 -0.09 0.00 1.01 -1.26 -1.43 120.40 122.85 3ham s VAL 75 Ca 0.13 0.97 0.16 0.00 0.00 0.00 0.00 61.98 63.24 3ham s VAL 75 Cb -0.11 -3.86 -0.24 0.00 0.00 0.00 0.00 36.38 32.18 3ham s VAL 75 CO 0.02 0.14 0.22 0.55 0.00 0.00 0.00 175.10 176.03 3ham n VAL 76 N 4.76 0.56 -3.59 2.92 3.14 0.43 -4.95 118.33 121.60 3ham n VAL 76 Ca -0.04 -0.55 -0.12 0.00 -2.96 0.00 0.00 64.34 60.67 3ham n VAL 76 Cb 0.50 -0.24 -0.06 0.00 -1.06 0.00 0.00 33.84 32.98 3ham n VAL 76 CO 0.00 0.00 0.00 -0.47 -6.46 0.00 0.00 176.83 169.90 3ham s TYR 77 N -2.80 -0.54 -0.02 1.45 5.04 -1.01 -4.96 117.35 114.51 3ham s TYR 77 Ca -0.07 1.14 0.04 0.00 -2.44 0.00 0.00 57.07 55.74 3ham s TYR 77 Cb 0.08 0.38 -0.01 0.00 0.35 0.00 0.00 41.96 42.77 3ham s TYR 77 CO 0.70 -0.37 -0.15 -0.65 -1.34 0.00 0.00 175.55 173.74 3ham s GLN 78 N -0.44 1.36 0.03 4.97 -0.21 -1.26 -1.18 119.66 122.93 3ham s GLN 78 Ca -0.02 -0.52 -0.28 0.00 0.02 0.00 0.00 55.36 54.56 3ham s GLN 78 Cb -0.03 -1.26 0.09 0.00 1.00 0.00 0.00 33.01 32.82 3ham s GLN 78 CO 0.01 0.26 1.00 -1.54 -2.12 0.00 0.00 175.29 172.90 3ham s SER 79 N -0.13 -0.23 0.14 5.90 1.04 -1.08 -5.00 113.70 114.34 3ham s SER 79 Ca 0.01 -0.17 -0.18 0.00 0.48 0.00 0.00 55.95 56.09 3ham s SER 79 Cb -0.08 0.37 -0.02 0.00 0.10 0.00 0.00 66.02 66.38 3ham s SER 79 CO 0.00 -0.64 1.79 0.44 0.98 0.00 0.00 173.24 175.82 3ham h ASP 80 N 2.00 0.33 1.22 7.02 3.32 -2.01 -3.17 116.42 125.14 3ham h ASP 80 Ca -0.22 -0.01 -0.10 0.00 0.02 0.00 0.00 57.03 56.72 3ham h ASP 80 Cb 1.22 -0.08 -0.01 0.00 0.22 0.00 0.00 39.33 40.68 3ham h ASP 80 CO 0.28 0.24 -0.49 0.03 -1.72 0.00 0.00 179.24 177.58 3ham h ARG 81 N 0.40 0.00 -1.68 3.56 2.47 -1.96 -3.44 114.38 113.72 3ham h ARG 81 Ca 0.11 0.00 0.07 0.00 -1.26 0.00 0.00 59.98 58.90 3ham h ARG 81 Cb -0.04 0.00 -0.22 0.00 -1.65 0.00 0.00 29.97 28.07 3ham h ARG 81 CO -0.03 0.49 0.51 -0.59 0.56 0.00 0.00 179.97 180.90 3ham s PHE 82 N -3.18 -0.40 0.03 3.04 -0.12 -1.20 -4.08 117.98 112.07 3ham s PHE 82 Ca 0.02 0.64 0.03 0.00 -0.05 0.00 0.00 56.93 57.57 3ham s PHE 82 Cb 0.09 0.46 -0.02 0.00 -0.63 0.00 0.00 43.02 42.92 3ham s PHE 82 CO 0.73 -0.39 -0.09 -0.80 -0.05 0.00 0.00 175.22 174.61 3ham s ASN 83 N -1.26 1.07 -0.07 1.98 0.01 -0.14 -2.64 114.94 113.90 3ham s ASN 83 Ca -0.02 -0.37 0.04 0.00 -0.71 0.00 0.00 52.86 51.80 3ham s ASN 83 Cb -0.00 -0.05 -0.00 0.00 0.41 0.00 0.00 41.25 41.61 3ham s ASN 83 CO 0.01 -0.03 -0.20 -0.63 -1.51 0.00 0.00 177.10 174.74 3ham s ILE 84 N -0.79 1.69 0.26 0.60 1.01 -0.33 -0.38 121.20 123.27 3ham s ILE 84 Ca -0.02 -0.84 0.07 0.00 0.00 0.00 0.00 60.65 59.86 3ham s ILE 84 Cb -0.07 -1.46 -0.05 0.00 0.01 0.00 0.00 42.46 40.89 3ham s ILE 84 CO 0.00 0.48 -0.08 0.00 0.00 0.00 0.00 174.94 175.35 3ham s MET 85 N 0.19 1.49 0.33 2.79 0.23 -0.90 -0.43 119.30 123.00 3ham s MET 85 Ca -0.10 -1.74 -0.28 0.00 -1.03 0.00 0.00 55.69 52.55 3ham s MET 85 Cb -0.15 -1.13 -0.09 0.00 -1.53 0.00 0.00 34.83 31.93 3ham s MET 85 CO 0.05 0.07 1.10 0.15 -2.03 0.00 0.00 175.02 174.36 3ham s LYS 86 N -3.71 4.44 -0.03 3.16 1.02 -0.52 -0.82 119.74 123.29 3ham s LYS 86 Ca 0.28 1.75 -0.30 0.00 0.02 0.00 0.00 55.97 57.72 3ham s LYS 86 Cb 0.03 -2.97 -0.06 0.00 -0.52 0.00 0.00 37.83 34.32 3ham s LYS 86 CO 0.11 0.05 1.55 -0.47 -0.92 0.00 0.00 175.35 175.66 3ham s TYR 87 N -1.31 2.37 -0.48 3.18 5.04 0.64 -4.65 117.35 122.12 3ham s TYR 87 Ca 0.49 0.46 -0.16 0.00 -2.44 0.00 0.00 57.07 55.43 3ham s TYR 87 Cb -0.30 -3.82 0.08 0.00 0.35 0.00 0.00 41.96 38.28 3ham s TYR 87 CO 0.38 -3.27 0.43 0.42 -1.34 0.00 0.00 175.55 172.17 3ham s ILE 88 N 3.32 5.20 -0.00 3.14 1.01 -1.26 -4.98 121.20 127.63 3ham s ILE 88 Ca 0.69 -1.07 -0.27 0.00 0.00 0.00 0.00 60.65 60.00 3ham s ILE 88 Cb -0.33 -4.17 -0.04 0.00 0.01 0.00 0.00 42.46 37.94 3ham s ILE 88 CO 0.28 -0.64 0.87 -0.75 0.00 0.00 0.00 174.94 174.70 3ham s LYS 89 N 1.73 4.53 0.00 2.79 2.20 -1.26 -4.96 119.74 124.76 3ham s LYS 89 Ca 0.05 1.22 0.00 0.00 -0.36 0.00 0.00 55.97 56.88 3ham s LYS 89 Cb -0.25 -3.44 0.00 0.00 -1.51 0.00 0.00 37.83 32.64 3ham s LYS 89 CO 0.07 0.05 0.00 0.41 -0.36 0.00 0.00 175.35 175.52 3ham n GLY 90 N 2.84 1.66 0.36 5.54 0.00 -1.26 -4.95 105.19 109.37 3ham n GLY 90 Ca 0.02 -0.17 -0.01 0.00 0.00 0.00 0.00 46.02 45.87 3ham n GLY 90 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 3ham n GLU 91 N 0.00 0.08 0.00 1.61 0.00 -0.36 -4.89 120.64 117.08 3ham n GLU 91 Ca 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 57.16 56.99 3ham n GLU 91 Cb 0.00 0.22 0.00 0.00 0.00 0.00 0.00 31.44 31.66 3ham n GLU 91 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.13 175.00 3ham n ARG 92 N -0.06 0.00 -2.88 3.44 0.63 -1.26 -2.72 116.66 113.82 3ham n ARG 92 Ca -0.01 0.00 -0.04 0.00 -0.92 0.00 0.00 57.85 56.89 3ham n ARG 92 Cb 0.06 0.00 0.00 0.00 0.45 0.00 0.00 32.46 32.97 3ham n ARG 92 CO 0.00 0.00 0.00 -0.89 -2.51 0.00 0.00 177.63 174.23 3ham n ILE 93 N -1.28 -9.66 -2.54 5.15 5.41 -1.26 -4.82 119.36 110.37 3ham n ILE 93 Ca 0.00 1.33 -0.24 0.00 1.00 0.00 0.00 62.75 64.85 3ham n ILE 93 Cb 0.00 -6.12 0.10 0.00 -0.71 0.00 0.00 39.64 32.91 3ham n ILE 93 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 176.55 176.97 3ham s THR 94 N -1.70 2.21 0.35 1.39 -4.23 -1.26 -4.93 115.64 107.47 3ham s THR 94 Ca 0.07 -0.56 0.11 0.00 -1.18 0.00 0.00 61.69 60.14 3ham s THR 94 Cb -0.02 -2.65 0.34 0.00 1.34 0.00 0.00 72.50 71.51 3ham s THR 94 CO 0.65 0.00 1.81 0.22 -0.54 0.00 0.00 174.62 176.76 3ham h TYR 95 N -0.51 0.85 0.04 3.99 5.03 -1.77 -2.04 116.97 122.55 3ham h TYR 95 Ca -0.38 0.03 -0.23 0.00 2.58 0.00 0.00 58.73 60.73 3ham h TYR 95 Cb 1.27 -0.26 -0.02 0.00 1.55 0.00 0.00 36.73 39.28 3ham h TYR 95 CO -0.13 0.20 -1.08 0.93 -1.32 0.00 0.00 178.16 176.76 3ham h GLU 96 N 0.61 0.09 -0.06 1.82 3.07 -1.92 -3.00 114.58 115.19 3ham h GLU 96 Ca 0.54 -0.16 -0.21 0.00 -0.50 0.00 0.00 59.36 59.03 3ham h GLU 96 Cb 1.03 0.06 0.01 0.00 -0.84 0.00 0.00 28.75 29.01 3ham h GLU 96 CO -0.29 1.07 -0.80 1.96 -1.40 0.00 0.00 179.01 179.56 3ham h GLN 97 N 0.03 0.65 -0.36 2.33 4.20 -1.92 -3.32 115.11 116.72 3ham h GLN 97 Ca -0.05 -0.62 0.08 0.00 0.06 0.00 0.00 58.65 58.12 3ham h GLN 97 Cb 1.84 0.15 -0.08 0.00 0.30 0.00 0.00 27.48 29.69 3ham h GLN 97 CO 0.15 1.22 -0.25 -0.92 -0.67 0.00 0.00 178.83 178.36 3ham h TYR 98 N 0.31 -0.68 0.00 2.96 5.03 -1.34 -1.11 116.97 122.14 3ham h TYR 98 Ca -0.08 0.05 0.00 0.00 2.58 0.00 0.00 58.73 61.28 3ham h TYR 98 Cb 1.45 0.35 0.00 0.00 1.55 0.00 0.00 36.73 40.08 3ham h TYR 98 CO 0.11 -0.33 0.00 0.72 -1.32 0.00 0.00 178.16 177.34 3ham n HIS 99 N -5.39 0.00 0.40 -3.82 8.25 -1.14 -0.67 115.22 112.84 3ham n HIS 99 Ca 0.01 0.00 0.12 0.00 -0.26 0.00 0.00 57.72 57.59 3ham n HIS 99 Cb 0.31 -0.29 0.13 0.00 1.12 0.00 0.00 29.99 31.26 3ham n HIS 99 CO 0.00 0.00 0.00 0.87 0.64 0.00 0.00 176.34 177.85 3ham h LYS 100 N 0.00 0.00 -7.26 -0.41 1.57 -1.30 -3.47 116.57 105.70 3ham h LYS 100 Ca 0.00 0.00 -0.52 0.00 -1.87 0.00 0.00 60.65 58.26 3ham h LYS 100 Cb 0.13 0.00 0.15 0.00 0.08 0.00 0.00 32.23 32.58 3ham h LYS 100 CO 0.00 0.00 0.31 -0.51 -0.57 0.00 0.00 179.45 178.68 3ham s LEU 101 N -4.75 3.09 0.52 2.94 1.43 0.15 -5.03 118.68 117.03 3ham s LEU 101 Ca 0.04 2.03 -0.07 0.00 -1.03 0.00 0.00 54.13 55.10 3ham s LEU 101 Cb 0.11 -4.55 -0.04 0.00 0.03 0.00 0.00 46.19 41.75 3ham s LEU 101 CO 0.73 -2.28 0.86 -0.94 0.23 0.00 0.00 176.35 174.95 3ham s SER 102 N -2.85 6.28 0.26 2.29 1.04 -1.26 -4.85 113.70 114.60 3ham s SER 102 Ca 0.66 1.10 -0.03 0.00 0.48 0.00 0.00 55.95 58.16 3ham s SER 102 Cb -0.21 -2.32 0.45 0.00 0.10 0.00 0.00 66.02 64.04 3ham s SER 102 CO 0.52 -0.65 1.81 -0.08 0.98 0.00 0.00 173.24 175.82 3ham h GLU 103 N 0.15 0.79 -0.27 4.02 4.57 -1.98 0.31 114.58 122.17 3ham h GLU 103 Ca -0.46 -0.05 -0.08 0.00 -1.18 0.00 0.00 59.36 57.59 3ham h GLU 103 Cb 1.20 -0.18 -0.01 0.00 -0.16 0.00 0.00 28.75 29.60 3ham h GLU 103 CO 0.62 0.52 -0.13 1.57 -1.18 0.00 0.00 179.01 180.41 3ham h LYS 104 N 0.82 0.57 -1.01 1.92 2.10 -1.99 0.10 116.57 119.08 3ham h LYS 104 Ca 0.43 -0.25 0.10 0.00 -2.00 0.00 0.00 60.65 58.93 3ham h LYS 104 Cb 0.43 -0.02 -0.08 0.00 -0.90 0.00 0.00 32.23 31.66 3ham h LYS 104 CO -0.27 0.81 0.64 0.93 -2.00 0.00 0.00 179.45 179.57 3ham h GLU 105 N 0.31 1.02 0.00 0.07 5.08 -1.62 -2.46 114.58 116.98 3ham h GLU 105 Ca 0.06 -0.06 -0.03 0.00 -1.00 0.00 0.00 59.36 58.33 3ham h GLU 105 Cb 0.64 -0.23 -0.00 0.00 0.50 0.00 0.00 28.75 29.66 3ham h GLU 105 CO 0.04 0.68 -0.17 1.57 -1.00 0.00 0.00 179.01 180.13 3ham h LYS 106 N 1.05 0.00 -0.24 2.33 2.10 -0.08 -3.06 116.57 118.68 3ham h LYS 106 Ca 0.48 0.00 -0.15 0.00 -2.00 0.00 0.00 60.65 58.98 3ham h LYS 106 Cb 0.39 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.72 3ham h LYS 106 CO -0.24 0.14 -0.46 -0.44 -2.00 0.00 0.00 179.45 176.45 3ham h ASP 107 N 0.00 0.65 0.23 7.07 3.32 -0.55 -2.90 116.42 124.25 3ham h ASP 107 Ca -0.00 -0.31 -0.17 0.00 0.02 0.00 0.00 57.03 56.57 3ham h ASP 107 Cb 1.11 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 40.47 3ham h ASP 107 CO 0.02 1.02 -0.65 0.00 -1.72 0.00 0.00 179.24 177.90 3ham h ALA 108 N 1.01 0.69 -0.72 3.45 0.00 -1.41 -1.29 119.26 120.99 3ham h ALA 108 Ca 0.03 -0.57 0.04 0.00 0.00 0.00 0.00 54.91 54.41 3ham h ALA 108 Cb 0.99 -0.07 -0.05 0.00 0.00 0.00 0.00 17.79 18.66 3ham h ALA 108 CO 0.09 0.74 0.44 -0.07 0.00 0.00 0.00 179.25 180.45 3ham h LEU 109 N 0.28 0.70 -0.98 0.00 3.38 -1.56 -1.13 115.31 116.01 3ham h LEU 109 Ca -0.01 0.01 -0.05 0.00 0.09 0.00 0.00 57.88 57.91 3ham h LEU 109 Cb 1.20 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 41.78 3ham h LEU 109 CO 0.11 0.48 0.15 0.00 0.09 0.00 0.00 178.44 179.26 3ham h ALA 110 N 1.32 1.17 0.04 1.53 0.00 -1.24 -2.32 119.26 119.77 3ham h ALA 110 Ca 0.30 -0.21 -0.00 0.00 0.00 0.00 0.00 54.91 55.00 3ham h ALA 110 Cb 0.07 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.63 3ham h ALA 110 CO -0.13 0.57 -0.02 -0.92 0.00 0.00 0.00 179.25 178.74 3ham h TYR 111 N 0.86 -0.05 -0.89 0.00 3.20 -0.95 -2.12 116.97 117.02 3ham h TYR 111 Ca 0.19 -0.00 0.17 0.00 3.14 0.00 0.00 58.73 62.22 3ham h TYR 111 Cb 0.30 0.02 -0.16 0.00 1.54 0.00 0.00 36.73 38.42 3ham h TYR 111 CO 0.02 0.35 -0.28 -0.44 -1.64 0.00 0.00 178.16 176.17 3ham h ASP 112 N -0.48 -1.01 -0.18 -2.11 3.32 -1.10 0.22 116.42 115.09 3ham h ASP 112 Ca -0.01 0.28 -0.20 0.00 0.02 0.00 0.00 57.03 57.12 3ham h ASP 112 Cb 0.43 0.61 0.01 0.00 0.22 0.00 0.00 39.33 40.60 3ham h ASP 112 CO 0.01 -0.30 -0.68 -0.33 -1.72 0.00 0.00 179.24 176.22 3ham h GLU 113 N -0.02 0.77 -0.84 3.56 5.08 -1.31 -1.66 114.58 120.17 3ham h GLU 113 Ca 0.39 -0.60 -0.02 0.00 -1.00 0.00 0.00 59.36 58.14 3ham h GLU 113 Cb 0.64 0.11 -0.04 0.00 0.50 0.00 0.00 28.75 29.96 3ham h GLU 113 CO -0.92 1.21 0.44 0.00 -1.00 0.00 0.00 179.01 178.74 3ham h ALA 114 N 0.57 1.08 -0.23 3.43 0.00 -1.08 -0.30 119.26 122.72 3ham h ALA 114 Ca -0.03 -0.14 -0.02 0.00 0.00 0.00 0.00 54.91 54.72 3ham h ALA 114 Cb 1.31 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 18.75 3ham h ALA 114 CO 0.14 0.61 0.07 1.15 0.00 0.00 0.00 179.25 181.22 3ham h THR 115 N 1.18 1.19 -0.89 0.00 2.02 -0.31 -0.57 112.91 115.53 3ham h THR 115 Ca 0.29 -0.60 0.08 0.00 0.77 0.00 0.00 66.41 66.95 3ham h THR 115 Cb 0.06 1.16 -0.07 0.00 -1.74 0.00 0.00 68.15 67.56 3ham h THR 115 CO -0.04 0.19 0.54 0.15 0.37 0.00 0.00 175.52 176.73 3ham h PHE 116 N 0.20 1.00 -0.47 3.16 3.57 -1.01 -1.95 116.94 121.45 3ham h PHE 116 Ca 0.07 0.03 -0.14 0.00 3.53 0.00 0.00 57.97 61.47 3ham h PHE 116 Cb 0.23 -0.32 -0.01 0.00 2.79 0.00 0.00 35.95 38.64 3ham h PHE 116 CO 0.00 0.47 -0.25 -0.07 -2.23 0.00 0.00 178.31 176.23 3ham h LEU 117 N 0.95 1.02 -0.38 0.59 3.38 -0.39 -0.61 115.31 119.87 3ham h LEU 117 Ca 0.40 -0.40 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 3ham h LEU 117 Cb 0.27 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.72 3ham h LEU 117 CO -0.21 1.21 0.20 0.11 0.09 0.00 0.00 178.44 179.84 3ham h LYS 118 N 0.84 0.54 0.15 1.13 1.57 -0.52 0.20 116.57 120.49 3ham h LYS 118 Ca 0.10 -0.07 0.00 0.00 -1.87 0.00 0.00 60.65 58.81 3ham h LYS 118 Cb 0.83 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 33.03 3ham h LYS 118 CO 0.07 0.46 -0.15 0.93 -0.57 0.00 0.00 179.45 180.20 3ham h GLU 119 N 0.48 -0.31 -0.78 3.15 5.08 -1.29 -1.07 114.58 119.85 3ham h GLU 119 Ca 0.13 0.02 0.03 0.00 -1.00 0.00 0.00 59.36 58.54 3ham h GLU 119 Cb 0.09 0.07 -0.05 0.00 0.50 0.00 0.00 28.75 29.36 3ham h GLU 119 CO -0.02 -0.21 0.50 1.25 -1.00 0.00 0.00 179.01 179.53 3ham h LEU 120 N -0.33 0.84 0.00 1.33 5.85 -0.42 0.57 115.31 123.15 3ham h LEU 120 Ca 0.00 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.71 3ham h LEU 120 Cb 0.31 -0.19 0.00 0.00 0.37 0.00 0.00 40.66 41.15 3ham h LEU 120 CO -0.04 0.58 0.00 1.41 -0.34 0.00 0.00 178.44 180.06 3ham n HIS 121 N -4.59 0.00 0.60 1.25 8.25 0.65 -2.87 115.22 118.50 3ham n HIS 121 Ca 0.09 0.00 0.11 0.00 -0.26 0.00 0.00 57.72 57.66 3ham n HIS 121 Cb 0.07 -0.47 0.02 0.00 1.12 0.00 0.00 29.99 30.73 3ham n HIS 121 CO 0.00 0.00 0.00 0.43 0.64 0.00 0.00 176.34 177.41 3ham n SER 122 N -1.47 0.62 -4.69 0.41 7.64 0.15 -4.77 113.62 111.51 3ham n SER 122 Ca 0.06 -0.26 -0.42 0.00 1.01 0.00 0.00 58.87 59.27 3ham n SER 122 Cb 0.26 0.81 -0.03 0.00 -1.01 0.00 0.00 64.21 64.24 3ham n SER 122 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 3ham s ILE 123 N -3.18 2.81 -0.03 0.44 1.01 -0.98 -4.92 121.20 116.36 3ham s ILE 123 Ca 0.04 0.30 -0.29 0.00 0.00 0.00 0.00 60.65 60.70 3ham s ILE 123 Cb 0.15 -3.19 -0.03 0.00 0.01 0.00 0.00 42.46 39.39 3ham s ILE 123 CO 0.80 -0.00 0.93 -1.83 0.00 0.00 0.00 174.94 174.85 3ham s GLU 124 N 2.64 4.52 -0.00 2.79 -1.05 -1.26 -4.70 118.70 121.64 3ham s GLU 124 Ca 0.77 1.31 -0.08 0.00 -0.15 0.00 0.00 54.97 56.82 3ham s GLU 124 Cb -0.42 -3.47 -0.05 0.00 -0.44 0.00 0.00 34.13 29.75 3ham s GLU 124 CO 0.34 -0.07 0.28 0.42 0.95 0.00 0.00 175.26 177.18 3ham s ILE 125 N 1.11 5.28 -1.12 1.83 1.09 -1.26 -5.01 121.20 123.11 3ham s ILE 125 Ca 0.49 0.28 -0.05 0.00 -1.10 0.00 0.00 60.65 60.27 3ham s ILE 125 Cb -0.20 -3.57 0.28 0.00 -1.06 0.00 0.00 42.46 37.91 3ham s ILE 125 CO 0.25 0.41 1.65 0.47 -0.10 0.00 0.00 174.94 177.62 3ham n ASP 126 N 1.29 6.38 -0.71 3.58 9.92 -1.26 -4.82 116.55 130.93 3ham n ASP 126 Ca -0.12 -3.38 0.00 0.00 -0.53 0.00 0.00 54.79 50.75 3ham n ASP 126 Cb 0.53 -1.30 0.00 0.00 -0.64 0.00 0.00 41.12 39.71 3ham n ASP 126 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 3ham n SER 128 N 0.63 0.84 -4.67 0.00 2.88 -1.26 -4.63 113.62 107.40 3ham n SER 128 Ca 0.00 -0.92 -0.32 0.00 -1.33 0.00 0.00 58.87 56.31 3ham n SER 128 Cb 0.06 0.79 -0.09 0.00 -0.75 0.00 0.00 64.21 64.21 3ham n SER 128 CO 0.00 0.00 0.00 -0.69 -1.23 0.00 0.00 175.04 173.12 3ham s VAL 129 N -1.81 4.01 0.29 2.46 1.01 0.24 -4.95 120.40 121.65 3ham s VAL 129 Ca 0.06 -0.76 0.04 0.00 0.00 0.00 0.00 61.98 61.32 3ham s VAL 129 Cb 0.09 -2.82 0.29 0.00 0.00 0.00 0.00 36.38 33.94 3ham s VAL 129 CO 0.38 0.30 1.70 0.77 0.00 0.00 0.00 175.10 178.25 3ham h SER 130 N 4.08 0.38 -0.96 3.32 4.64 -1.95 0.66 113.55 123.72 3ham h SER 130 Ca -0.48 0.15 0.18 0.00 -0.47 0.00 0.00 61.79 61.17 3ham h SER 130 Cb 1.17 0.12 -0.09 0.00 -0.31 0.00 0.00 62.40 63.29 3ham h SER 130 CO 0.57 0.02 0.61 0.25 -0.87 0.00 0.00 176.83 177.41 3ham h LEU 131 N 0.43 0.65 0.00 5.97 6.46 -1.96 -1.90 115.31 124.96 3ham h LEU 131 Ca 0.57 0.06 -0.21 0.00 -0.12 0.00 0.00 57.88 58.18 3ham h LEU 131 Cb 1.06 -0.06 -0.04 0.00 -0.73 0.00 0.00 40.66 40.90 3ham h LEU 131 CO -0.51 0.27 -1.90 0.49 -0.62 0.00 0.00 178.44 176.17 3ham n PHE 132 N -4.63 0.00 -0.03 1.25 3.01 -0.53 -3.95 117.46 112.58 3ham n PHE 132 Ca 0.21 0.00 0.10 0.00 1.01 0.00 0.00 57.45 58.76 3ham n PHE 132 Cb 0.58 -0.62 0.50 0.00 -0.01 0.00 0.00 39.48 39.93 3ham n PHE 132 CO 0.00 0.00 0.00 1.03 1.01 0.00 0.00 176.76 178.80 3ham h SER 133 N 0.00 0.35 0.27 4.37 0.87 0.48 0.10 113.55 120.00 3ham h SER 133 Ca -0.31 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.25 3ham h SER 133 Cb 1.65 -0.08 0.00 0.00 -0.44 0.00 0.00 62.40 63.53 3ham h SER 133 CO 0.02 0.23 -0.62 0.47 -0.53 0.00 0.00 176.83 176.40 3ham n ASP 134 N -4.47 0.84 0.03 6.23 8.00 -0.73 -4.32 116.55 122.13 3ham n ASP 134 Ca 0.07 -0.66 -0.04 0.00 0.71 0.00 0.00 54.79 54.87 3ham n ASP 134 Cb 0.27 0.48 -0.09 0.00 -0.02 0.00 0.00 41.12 41.75 3ham n ASP 134 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3ham h ALA 135 N 3.16 0.64 -1.57 2.24 0.00 -0.94 -3.44 119.26 119.35 3ham h ALA 135 Ca 0.00 -1.01 -0.51 0.00 0.00 0.00 0.00 54.91 53.38 3ham h ALA 135 Cb 0.52 0.22 -0.03 0.00 0.00 0.00 0.00 17.79 18.49 3ham h ALA 135 CO 0.00 1.17 1.34 -1.17 0.00 0.00 0.00 179.25 180.59 3ham s LEU 136 N -6.16 3.34 -0.12 0.00 0.20 -0.86 -2.99 118.68 112.09 3ham s LEU 136 Ca -0.02 0.54 -0.14 0.00 0.69 0.00 0.00 54.13 55.20 3ham s LEU 136 Cb 0.09 -2.74 -0.05 0.00 -0.43 0.00 0.00 46.19 43.06 3ham s LEU 136 CO 0.81 -2.24 0.34 -0.69 -0.29 0.00 0.00 176.35 174.28 3ham s VAL 137 N 8.64 5.24 -0.62 1.68 1.01 -1.22 -5.00 120.40 130.12 3ham s VAL 137 Ca 0.70 0.65 -0.28 0.00 0.00 0.00 0.00 61.98 63.06 3ham s VAL 137 Cb -0.14 -3.66 0.03 0.00 0.00 0.00 0.00 36.38 32.60 3ham s VAL 137 CO 0.23 0.43 1.27 0.21 0.00 0.00 0.00 175.10 177.25 3ham s ASN 138 N 0.07 6.28 0.24 3.32 2.47 -1.26 -4.91 114.94 121.15 3ham s ASN 138 Ca 0.20 -0.02 -0.05 0.00 0.42 0.00 0.00 52.86 53.41 3ham s ASN 138 Cb -0.14 -2.55 0.44 0.00 -1.45 0.00 0.00 41.25 37.55 3ham s ASN 138 CO 0.07 -1.65 1.73 0.50 -3.72 0.00 0.00 177.10 174.03 3ham h LYS 139 N 10.08 0.41 0.28 0.43 3.64 -1.97 0.18 116.57 129.62 3ham h LYS 139 Ca -0.26 -0.02 -0.00 0.00 -1.27 0.00 0.00 60.65 59.09 3ham h LYS 139 Cb 1.06 -0.09 -0.03 0.00 -0.41 0.00 0.00 32.23 32.76 3ham h LYS 139 CO 1.21 0.27 -0.41 0.87 -2.27 0.00 0.00 179.45 179.12 3ham h LYS 140 N 0.42 -0.70 0.00 1.90 1.57 -1.96 -2.88 116.57 114.93 3ham h LYS 140 Ca 0.41 0.05 -0.01 0.00 -1.87 0.00 0.00 60.65 59.22 3ham h LYS 140 Cb 0.62 0.16 -0.00 0.00 0.08 0.00 0.00 32.23 33.08 3ham h LYS 140 CO -0.41 -0.47 -0.04 -0.44 -0.57 0.00 0.00 179.45 177.53 3ham h ASP 141 N -0.73 0.00 -0.37 0.86 3.32 -1.73 -2.45 116.42 115.32 3ham h ASP 141 Ca -0.03 0.00 -0.16 0.00 0.02 0.00 0.00 57.03 56.86 3ham h ASP 141 Cb 0.66 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.21 3ham h ASP 141 CO -0.12 0.04 -0.39 0.07 -1.72 0.00 0.00 179.24 177.12 3ham h LYS 142 N 0.00 0.92 -0.98 3.56 2.10 -0.61 -1.36 116.57 120.20 3ham h LYS 142 Ca -0.00 -0.49 0.08 0.00 -2.00 0.00 0.00 60.65 58.24 3ham h LYS 142 Cb 0.09 0.02 -0.07 0.00 -0.90 0.00 0.00 32.23 31.37 3ham h LYS 142 CO 0.01 1.15 0.63 0.74 -2.00 0.00 0.00 179.45 179.97 3ham h PHE 143 N 0.73 1.14 -0.22 0.07 0.05 -1.23 -0.74 116.94 116.75 3ham h PHE 143 Ca 0.06 0.03 -0.06 0.00 3.82 0.00 0.00 57.97 61.82 3ham h PHE 143 Cb 0.99 -0.37 -0.01 0.00 2.00 0.00 0.00 35.95 38.56 3ham h PHE 143 CO 0.07 0.55 -0.08 -0.07 -0.18 0.00 0.00 178.31 178.60 3ham h LEU 144 N 1.08 0.46 -1.05 1.54 4.07 -1.32 -0.27 115.31 119.81 3ham h LEU 144 Ca 0.45 -0.38 0.04 0.00 0.08 0.00 0.00 57.88 58.06 3ham h LEU 144 Cb 0.29 -0.13 -0.06 0.00 1.08 0.00 0.00 40.66 41.85 3ham h LEU 144 CO -0.20 0.74 0.64 -0.61 -1.08 0.00 0.00 178.44 177.93 3ham h GLN 145 N 0.17 1.18 0.70 1.13 5.75 -0.97 -2.38 115.11 120.70 3ham h GLN 145 Ca 0.05 -0.07 -0.03 0.00 -0.15 0.00 0.00 58.65 58.45 3ham h GLN 145 Cb 0.55 -0.27 0.01 0.00 1.07 0.00 0.00 27.48 28.84 3ham h GLN 145 CO 0.03 0.78 -0.34 -0.44 -2.65 0.00 0.00 178.83 176.21 3ham h ASP 146 N 1.22 -0.80 -0.42 -0.69 5.19 -0.58 -0.61 116.42 119.72 3ham h ASP 146 Ca 0.39 0.03 0.09 0.00 -0.62 0.00 0.00 57.03 56.92 3ham h ASP 146 Cb 0.03 0.21 -0.09 0.00 0.18 0.00 0.00 39.33 39.65 3ham h ASP 146 CO -0.13 -0.57 -0.28 0.50 -3.12 0.00 0.00 179.24 175.64 3ham h LYS 147 N -0.94 -0.20 -0.76 3.56 3.64 -0.90 0.65 116.57 121.62 3ham h LYS 147 Ca -0.10 0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.28 3ham h LYS 147 Cb 0.72 0.04 -0.04 0.00 -0.41 0.00 0.00 32.23 32.55 3ham h LYS 147 CO 0.16 -0.13 0.42 0.87 -2.27 0.00 0.00 179.45 178.49 3ham h LYS 148 N -0.20 1.04 -0.15 1.90 1.57 -1.31 0.11 116.57 119.53 3ham h LYS 148 Ca 0.19 -0.11 -0.02 0.00 -1.87 0.00 0.00 60.65 58.83 3ham h LYS 148 Cb 0.51 -0.21 -0.01 0.00 0.08 0.00 0.00 32.23 32.61 3ham h LYS 148 CO -0.54 0.76 0.00 1.25 -0.57 0.00 0.00 179.45 180.36 3ham h LEU 149 N 1.05 0.27 -0.40 2.94 6.46 -0.14 -2.22 115.31 123.27 3ham h LEU 149 Ca 0.27 -0.31 0.07 0.00 -0.12 0.00 0.00 57.88 57.79 3ham h LEU 149 Cb 0.02 -0.07 -0.06 0.00 -0.73 0.00 0.00 40.66 39.82 3ham h LEU 149 CO -0.04 0.51 0.05 0.25 -0.62 0.00 0.00 178.44 178.59 3ham h LEU 150 N 0.02 -0.06 -0.21 2.25 5.85 0.14 0.25 115.31 123.55 3ham h LEU 150 Ca 0.04 0.08 -0.01 0.00 0.84 0.00 0.00 57.88 58.83 3ham h LEU 150 Cb 0.37 0.12 -0.01 0.00 0.37 0.00 0.00 40.66 41.51 3ham h LEU 150 CO 0.01 0.01 0.10 0.40 -0.34 0.00 0.00 178.44 178.62 3ham h ILE 151 N 0.17 1.13 -0.84 4.05 2.04 -0.85 -2.35 117.51 120.85 3ham h ILE 151 Ca 0.19 -0.37 0.03 0.00 1.00 0.00 0.00 64.86 65.72 3ham h ILE 151 Cb 0.25 0.99 -0.05 0.00 -0.74 0.00 0.00 36.82 37.28 3ham h ILE 151 CO -0.28 0.13 0.56 -1.28 0.00 0.00 0.00 178.15 177.27 3ham h SER 152 N 0.21 0.92 -0.45 1.72 0.87 -0.72 -0.98 113.55 115.11 3ham h SER 152 Ca 0.07 -0.01 -0.03 0.00 -1.23 0.00 0.00 61.79 60.59 3ham h SER 152 Cb 0.11 -0.21 -0.02 0.00 -0.44 0.00 0.00 62.40 61.83 3ham h SER 152 CO -0.01 0.63 0.18 0.40 -0.53 0.00 0.00 176.83 177.51 3ham h ILE 153 N 1.07 1.20 0.00 2.23 2.04 -0.34 -1.97 117.51 121.73 3ham h ILE 153 Ca 0.33 -0.63 -0.05 0.00 1.00 0.00 0.00 64.86 65.51 3ham h ILE 153 Cb 0.00 0.77 -0.01 0.00 -0.74 0.00 0.00 36.82 36.85 3ham h ILE 153 CO -0.09 0.23 -0.26 -0.07 0.00 0.00 0.00 178.15 177.96 3ham h LEU 154 N 0.59 0.00 0.65 1.44 3.38 -0.83 -1.58 115.31 118.96 3ham h LEU 154 Ca 0.15 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.09 3ham h LEU 154 Cb 0.19 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.95 3ham h LEU 154 CO -0.01 0.26 -0.31 -0.33 0.09 0.00 0.00 178.44 178.13 3ham h GLU 155 N 0.00 -0.84 -0.72 1.13 5.08 -1.05 -0.19 114.58 118.00 3ham h GLU 155 Ca -0.00 0.06 0.16 0.00 -1.00 0.00 0.00 59.36 58.57 3ham h GLU 155 Cb 0.83 0.19 -0.04 0.00 0.50 0.00 0.00 28.75 30.23 3ham h GLU 155 CO 0.03 -0.56 0.49 0.87 -1.00 0.00 0.00 179.01 178.84 3ham h LYS 156 N -1.07 0.29 -0.01 2.33 1.57 -1.08 0.21 116.57 118.81 3ham h LYS 156 Ca -0.09 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.67 3ham h LYS 156 Cb 0.67 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 32.91 3ham h LYS 156 CO 0.15 0.19 -0.02 0.39 -0.57 0.00 0.00 179.45 179.59 3ham n GLU 157 N -4.45 1.45 -2.25 3.15 -0.58 -0.62 -4.94 120.64 112.41 3ham n GLU 157 Ca 0.14 -0.72 -0.21 0.00 -0.42 0.00 0.00 57.16 55.95 3ham n GLU 157 Cb 0.58 -1.49 -0.02 0.00 -0.57 0.00 0.00 31.44 29.94 3ham n GLU 157 CO 0.00 0.00 0.00 1.04 -0.48 0.00 0.00 177.13 177.69 3ham n GLN 158 N -0.15 -1.61 -0.06 3.49 1.13 0.74 -4.86 117.38 116.07 3ham n GLN 158 Ca 0.19 1.04 -0.13 0.00 -1.94 0.00 0.00 57.00 56.16 3ham n GLN 158 Cb 0.30 -5.64 -0.14 0.00 0.11 0.00 0.00 30.24 24.87 3ham n GLN 158 CO 0.00 0.00 0.00 1.28 -1.44 0.00 0.00 177.06 176.90 3ham n LEU 159 N -2.85 1.38 -4.68 1.08 4.77 -0.18 -4.99 117.00 111.53 3ham n LEU 159 Ca -0.24 0.15 -0.42 0.00 -0.03 0.00 0.00 56.01 55.47 3ham n LEU 159 Cb 0.68 -0.20 0.00 0.00 -2.33 0.00 0.00 43.42 41.58 3ham n LEU 159 CO 0.29 0.62 0.83 -0.11 -1.33 0.00 0.00 177.39 177.69 3ham n LEU 160 N -3.09 3.54 -3.82 2.23 7.94 -0.61 -5.01 117.00 118.18 3ham n LEU 160 Ca -0.30 1.13 -0.13 0.00 -1.11 0.00 0.00 56.01 55.61 3ham n LEU 160 Cb 1.07 -1.46 -0.14 0.00 0.53 0.00 0.00 43.42 43.42 3ham n LEU 160 CO 0.40 -0.76 -0.27 0.28 -1.11 0.00 0.00 177.39 175.93 3ham s THR 161 N -1.17 -0.02 0.27 1.96 -1.32 -1.26 -4.99 115.64 109.11 3ham s THR 161 Ca 0.59 0.06 -0.10 0.00 -1.21 0.00 0.00 61.69 61.03 3ham s THR 161 Cb -0.55 -0.14 0.41 0.00 -1.51 0.00 0.00 72.50 70.71 3ham s THR 161 CO 0.59 0.02 1.56 0.44 -2.21 0.00 0.00 174.62 175.03 3ham h ASP 162 N 6.40 -0.98 -0.66 8.08 5.19 -2.01 0.96 116.42 133.41 3ham h ASP 162 Ca -0.31 0.29 0.11 0.00 -0.62 0.00 0.00 57.03 56.51 3ham h ASP 162 Cb 1.18 0.62 -0.04 0.00 0.18 0.00 0.00 39.33 41.27 3ham h ASP 162 CO 0.45 -0.32 0.44 -0.33 -3.12 0.00 0.00 179.24 176.37 3ham h GLU 163 N -0.00 0.44 -0.06 3.56 4.39 -2.00 -2.77 114.58 118.13 3ham h GLU 163 Ca 0.44 -0.03 -0.17 0.00 0.34 0.00 0.00 59.36 59.94 3ham h GLU 163 Cb 0.69 -0.10 0.01 0.00 -0.10 0.00 0.00 28.75 29.25 3ham h GLU 163 CO -0.99 0.29 -0.64 1.98 -1.16 0.00 0.00 179.01 178.49 3ham h MET 164 N 0.46 0.55 -0.77 2.33 4.05 0.54 -2.49 114.93 119.59 3ham h MET 164 Ca 0.31 -0.50 0.13 0.00 -0.28 0.00 0.00 59.70 59.36 3ham h MET 164 Cb 0.59 0.12 -0.09 0.00 -0.80 0.00 0.00 31.60 31.42 3ham h MET 164 CO -0.09 1.13 0.35 -0.07 0.23 0.00 0.00 176.91 178.46 3ham h LEU 165 N 0.14 0.39 -0.28 3.39 3.38 -1.11 -0.57 115.31 120.65 3ham h LEU 165 Ca -0.06 0.09 -0.02 0.00 0.09 0.00 0.00 57.88 57.98 3ham h LEU 165 Cb 1.31 0.04 -0.01 0.00 0.09 0.00 0.00 40.66 42.09 3ham h LEU 165 CO 0.13 0.17 0.08 -0.08 0.09 0.00 0.00 178.44 178.83 3ham h GLU 166 N 0.53 0.43 -0.22 1.13 4.57 -1.46 -1.31 114.58 118.25 3ham h GLU 166 Ca 0.41 -0.10 0.03 0.00 -1.18 0.00 0.00 59.36 58.53 3ham h GLU 166 Cb 0.58 -0.06 -0.03 0.00 -0.16 0.00 0.00 28.75 29.08 3ham h GLU 166 CO -0.36 0.51 0.01 1.25 -1.18 0.00 0.00 179.01 179.24 3ham h HIS 167 N 0.28 0.01 -0.97 0.92 2.76 -0.98 -1.91 115.15 115.27 3ham h HIS 167 Ca 0.09 0.02 0.02 0.00 -2.20 0.00 0.00 60.37 58.29 3ham h HIS 167 Cb 0.26 0.03 -0.05 0.00 1.55 0.00 0.00 27.41 29.20 3ham h HIS 167 CO 0.01 -0.02 0.64 0.82 -1.30 0.00 0.00 177.93 178.08 3ham h ILE 168 N 0.09 1.22 0.05 6.26 2.04 -1.01 -1.25 117.51 124.90 3ham h ILE 168 Ca 0.10 -0.44 0.02 0.00 1.00 0.00 0.00 64.86 65.54 3ham h ILE 168 Cb 0.12 -0.17 -0.03 0.00 -0.74 0.00 0.00 36.82 36.00 3ham h ILE 168 CO -0.16 0.23 -0.17 -0.33 0.00 0.00 0.00 178.15 177.72 3ham h GLU 169 N 1.28 -0.29 -0.42 2.37 3.07 -0.49 -2.16 114.58 117.94 3ham h GLU 169 Ca 0.37 0.02 0.01 0.00 -0.50 0.00 0.00 59.36 59.26 3ham h GLU 169 Cb -0.09 0.07 -0.03 0.00 -0.84 0.00 0.00 28.75 27.86 3ham h GLU 169 CO -0.09 -0.19 0.25 1.15 -1.40 0.00 0.00 179.01 178.73 3ham h THR 170 N -0.30 1.06 -0.57 1.13 2.02 -1.09 -2.67 112.91 112.50 3ham h THR 170 Ca 0.04 -0.18 0.11 0.00 0.77 0.00 0.00 66.41 67.16 3ham h THR 170 Cb 0.35 0.50 -0.11 0.00 -1.74 0.00 0.00 68.15 67.14 3ham h THR 170 CO -0.13 0.09 -0.20 0.40 0.37 0.00 0.00 175.52 176.06 3ham h ILE 171 N 0.51 0.35 0.00 3.11 1.08 -0.93 -1.10 117.51 120.53 3ham h ILE 171 Ca 0.16 0.00 -0.01 0.00 -0.39 0.00 0.00 64.86 64.62 3ham h ILE 171 Cb -0.01 0.35 -0.00 0.00 -3.07 0.00 0.00 36.82 34.09 3ham h ILE 171 CO -0.07 0.00 -0.07 1.88 -0.69 0.00 0.00 178.15 179.21 3ham h TYR 172 N -0.06 0.00 0.12 1.37 -1.99 -1.19 -2.61 116.97 112.61 3ham h TYR 172 Ca 0.27 0.00 -0.01 0.00 2.00 0.00 0.00 58.73 60.99 3ham h TYR 172 Cb 0.47 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.20 3ham h TYR 172 CO -0.51 0.07 -0.06 0.93 -0.00 0.00 0.00 178.16 178.58 3ham h GLU 173 N 0.00 -0.16 -0.27 4.88 4.39 -0.90 -1.90 114.58 120.62 3ham h GLU 173 Ca -0.00 0.01 0.04 0.00 0.34 0.00 0.00 59.36 59.75 3ham h GLU 173 Cb 0.91 0.04 -0.07 0.00 -0.10 0.00 0.00 28.75 29.52 3ham h GLU 173 CO 0.01 0.25 -0.53 -0.91 -1.16 0.00 0.00 179.01 176.67 3ham h ASN 174 N -0.62 -1.72 -0.40 1.42 2.35 -1.16 -2.01 115.58 113.44 3ham h ASN 174 Ca -0.02 0.22 0.08 0.00 -0.55 0.00 0.00 56.30 56.04 3ham h ASN 174 Cb 0.48 0.69 -0.09 0.00 0.05 0.00 0.00 38.32 39.46 3ham h ASN 174 CO 0.03 -0.44 -0.19 0.40 -1.65 0.00 0.00 177.43 175.58 3ham h ILE 175 N -0.48 0.43 0.00 2.81 2.04 -1.54 -1.14 117.51 119.63 3ham h ILE 175 Ca 0.06 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.92 3ham h ILE 175 Cb 0.64 0.43 0.00 0.00 -0.74 0.00 0.00 36.82 37.14 3ham h ILE 175 CO -0.51 0.00 0.00 0.18 0.00 0.00 0.00 178.15 177.82 3ham n LEU 176 N -5.37 0.15 -0.38 1.44 4.77 -0.72 -1.23 117.00 115.65 3ham n LEU 176 Ca 0.02 0.54 0.12 0.00 -0.03 0.00 0.00 56.01 56.66 3ham n LEU 176 Cb 0.28 -0.53 0.15 0.00 -2.33 0.00 0.00 43.42 40.99 3ham n LEU 176 CO 0.11 -0.39 0.43 0.59 -1.33 0.00 0.00 177.39 176.81 3ham n ASN 177 N -1.67 1.60 -4.20 -1.43 3.02 -0.44 -4.70 115.26 107.44 3ham n ASN 177 Ca 0.02 -1.25 -0.39 0.00 -0.03 0.00 0.00 54.58 52.93 3ham n ASN 177 Cb 0.14 0.36 -0.03 0.00 -0.61 0.00 0.00 39.78 39.64 3ham n ASN 177 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 3ham n ASN 178 N -0.32 3.76 -0.27 6.41 3.02 -0.37 -4.80 115.26 122.70 3ham n ASN 178 Ca 0.10 -2.80 0.08 0.00 -0.03 0.00 0.00 54.58 51.93 3ham n ASN 178 Cb 0.42 -1.60 0.20 0.00 -0.61 0.00 0.00 39.78 38.19 3ham n ASN 178 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3ham h ALA 179 N 7.81 0.99 -0.54 5.41 0.00 -1.86 0.26 119.26 131.33 3ham h ALA 179 Ca 0.41 0.21 0.16 0.00 0.00 0.00 0.00 54.91 55.69 3ham h ALA 179 Cb 0.80 0.32 -0.02 0.00 0.00 0.00 0.00 17.79 18.88 3ham h ALA 179 CO 1.60 -0.40 0.40 -0.39 0.00 0.00 0.00 179.25 180.46 3ham h VAL 180 N 0.19 0.68 0.00 0.00 -1.51 -1.92 0.11 116.25 113.80 3ham h VAL 180 Ca 0.45 0.00 -0.00 0.00 -1.23 0.00 0.00 66.70 65.92 3ham h VAL 180 Cb 0.83 0.72 -0.00 0.00 -2.13 0.00 0.00 31.29 30.71 3ham h VAL 180 CO -0.61 0.00 -0.02 0.25 -1.23 0.00 0.00 177.57 175.97 3ham h LEU 181 N 0.00 0.00 -0.89 4.19 5.85 -0.87 -3.20 115.31 120.40 3ham h LEU 181 Ca 0.26 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.98 3ham h LEU 181 Cb 1.06 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.09 3ham h LEU 181 CO -0.00 0.02 -0.07 0.49 -0.34 0.00 0.00 178.44 178.53 3ham n PHE 182 N -3.26 0.00 -3.40 1.25 3.01 0.38 -4.83 117.46 110.59 3ham n PHE 182 Ca -0.02 0.00 -0.44 0.00 1.01 0.00 0.00 57.45 58.00 3ham n PHE 182 Cb 0.14 0.00 -0.08 0.00 -0.01 0.00 0.00 39.48 39.53 3ham n PHE 182 CO 0.00 0.00 0.00 0.15 1.01 0.00 0.00 176.76 177.92 3ham s LYS 183 N -0.81 2.97 0.18 -1.08 3.01 -1.17 -5.04 119.74 117.82 3ham s LYS 183 Ca 0.06 -1.30 -0.20 0.00 -1.01 0.00 0.00 55.97 53.52 3ham s LYS 183 Cb 0.05 -4.10 0.05 0.00 -1.01 0.00 0.00 37.83 32.81 3ham s LYS 183 CO 0.12 -0.98 0.57 1.52 0.51 0.00 0.00 175.35 177.09 3ham s TYR 184 N 1.65 -0.33 -0.47 3.18 -0.85 -1.26 -4.95 117.35 114.31 3ham s TYR 184 Ca 0.04 0.03 -0.18 0.00 -0.52 0.00 0.00 57.07 56.44 3ham s TYR 184 Cb -0.23 0.50 0.05 0.00 0.38 0.00 0.00 41.96 42.66 3ham s TYR 184 CO 0.07 -0.91 0.51 0.99 -1.52 0.00 0.00 175.55 174.69 3ham s THR 185 N -3.82 5.04 0.42 -3.49 2.01 -1.26 -5.03 115.64 109.51 3ham s THR 185 Ca 0.05 -0.64 -0.22 0.00 0.31 0.00 0.00 61.69 61.19 3ham s THR 185 Cb -0.01 -4.18 -0.13 0.00 0.01 0.00 0.00 72.50 68.19 3ham s THR 185 CO -0.07 -0.64 0.54 -2.65 -0.69 0.00 0.00 174.62 171.11 3ham n PRO 186 N 5.73 0.56 -3.75 4.92 -0.02 -1.26 -4.51 135.00 136.65 3ham n PRO 186 Ca -0.09 0.20 -0.05 0.00 -2.02 0.00 0.00 63.50 61.55 3ham n PRO 186 Cb 0.45 -1.49 -0.02 0.00 -0.02 0.00 0.00 33.50 32.42 3ham n PRO 186 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3ham s LEU 188 N -2.90 4.34 0.05 0.00 2.96 -1.26 -0.65 118.68 121.22 3ham s LEU 188 Ca 0.11 2.27 0.06 0.00 -0.22 0.00 0.00 54.13 56.35 3ham s LEU 188 Cb -0.03 -3.57 -0.02 0.00 0.50 0.00 0.00 46.19 43.07 3ham s LEU 188 CO 0.02 -0.76 -0.16 0.68 -1.32 0.00 0.00 176.35 174.80 3ham s VAL 189 N 2.25 1.32 0.09 1.68 -7.23 -0.08 -4.31 120.40 114.12 3ham s VAL 189 Ca 0.67 -1.15 -0.14 0.00 -1.81 0.00 0.00 61.98 59.55 3ham s VAL 189 Cb -0.35 -1.19 -0.13 0.00 0.56 0.00 0.00 36.38 35.27 3ham s VAL 189 CO 0.29 0.02 1.34 -0.74 -0.31 0.00 0.00 175.10 175.69 3ham h HIS 190 N 4.73 0.93 0.00 2.82 2.76 -1.92 -2.82 115.15 121.66 3ham h HIS 190 Ca -0.40 -0.36 0.00 0.00 -2.20 0.00 0.00 60.37 57.41 3ham h HIS 190 Cb 1.18 -0.16 0.00 0.00 1.55 0.00 0.00 27.41 29.97 3ham h HIS 190 CO 0.55 1.16 0.00 0.09 -1.30 0.00 0.00 177.93 178.43 3ham n ASN 191 N -4.11 0.00 -2.79 3.26 3.02 -1.26 -2.60 115.26 110.78 3ham n ASN 191 Ca -0.06 0.00 -0.10 0.00 -0.03 0.00 0.00 54.58 54.39 3ham n ASN 191 Cb 0.61 -0.50 0.05 0.00 -0.61 0.00 0.00 39.78 39.34 3ham n ASN 191 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 3ham n ASP 192 N 0.00 -0.25 -4.49 6.41 2.03 -1.26 -4.98 116.55 114.00 3ham n ASP 192 Ca 0.00 -2.87 -0.42 0.00 0.52 0.00 0.00 54.79 52.02 3ham n ASP 192 Cb 0.00 0.30 -0.03 0.00 -0.72 0.00 0.00 41.12 40.66 3ham n ASP 192 CO 0.00 0.00 0.00 0.12 -1.92 0.00 0.00 177.20 175.40 3ham s PHE 193 N -1.48 2.56 0.15 -0.67 5.36 -1.26 -4.76 117.98 117.87 3ham s PHE 193 Ca 0.27 -0.46 -0.21 0.00 -0.96 0.00 0.00 56.93 55.58 3ham s PHE 193 Cb 0.39 -4.44 0.06 0.00 -0.34 0.00 0.00 43.02 38.69 3ham s PHE 193 CO -0.04 -1.81 0.54 0.45 -1.46 0.00 0.00 175.22 172.91 3ham s SER 194 N 3.79 -0.46 0.43 6.13 0.15 -1.26 -4.43 113.70 118.05 3ham s SER 194 Ca 0.29 -0.11 0.16 0.00 0.70 0.00 0.00 55.95 56.99 3ham s SER 194 Cb -0.12 0.56 1.06 0.00 -1.71 0.00 0.00 66.02 65.82 3ham s SER 194 CO 0.09 -0.94 1.92 0.00 1.20 0.00 0.00 173.24 175.51 3ham h ALA 195 N 2.11 2.12 0.00 5.45 0.00 -1.92 0.19 119.26 127.22 3ham h ALA 195 Ca -0.34 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.57 3ham h ALA 195 Cb 1.29 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.02 3ham h ALA 195 CO 0.40 -0.32 0.00 -2.95 0.00 0.00 0.00 179.25 176.38 3ham h ASN 196 N 0.41 0.00 -0.55 0.00 -1.07 -1.94 -1.47 115.58 110.97 3ham h ASN 196 Ca 0.37 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.74 3ham h ASN 196 Cb 0.84 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 37.09 3ham h ASN 196 CO -0.11 0.00 0.00 0.59 0.07 0.00 0.00 177.43 177.98 3ham n ASN 197 N -2.78 3.49 -4.31 6.14 3.02 0.68 -4.99 115.26 116.52 3ham n ASN 197 Ca -0.02 -2.02 -0.24 0.00 -0.03 0.00 0.00 54.58 52.28 3ham n ASN 197 Cb 0.09 -0.37 -0.12 0.00 -0.61 0.00 0.00 39.78 38.77 3ham n ASN 197 CO 0.00 0.00 0.00 -0.04 -2.62 0.00 0.00 177.26 174.60 3ham s MET 198 N -1.03 1.19 -0.09 3.52 -1.94 -0.55 -1.54 119.30 118.85 3ham s MET 198 Ca 0.37 -1.25 0.04 0.00 -1.71 0.00 0.00 55.69 53.14 3ham s MET 198 Cb 0.19 -1.41 0.00 0.00 2.01 0.00 0.00 34.83 35.63 3ham s MET 198 CO 0.25 0.31 -0.23 0.42 -0.01 0.00 0.00 175.02 175.76 3ham s ILE 199 N -1.43 1.98 0.32 2.53 -1.09 -0.51 -4.93 121.20 118.07 3ham s ILE 199 Ca 0.10 -0.98 0.09 0.00 -2.23 0.00 0.00 60.65 57.63 3ham s ILE 199 Cb -0.09 -1.71 -0.05 0.00 -1.58 0.00 0.00 42.46 39.03 3ham s ILE 199 CO 0.05 0.54 -0.01 -0.36 -1.23 0.00 0.00 174.94 173.94 3ham s PHE 200 N 0.33 2.56 0.03 3.97 0.40 -1.10 -0.49 117.98 123.67 3ham s PHE 200 Ca -0.17 -0.38 -0.12 0.00 -0.60 0.00 0.00 56.93 55.66 3ham s PHE 200 Cb -0.17 -1.39 0.01 0.00 0.51 0.00 0.00 43.02 41.98 3ham s PHE 200 CO 0.08 0.52 0.25 1.03 0.70 0.00 0.00 175.22 177.81 3ham s ARG 201 N -3.69 0.72 -1.45 0.44 0.52 -0.65 -1.23 118.95 113.61 3ham s ARG 201 Ca 0.34 -0.51 -0.15 0.00 -0.52 0.00 0.00 55.73 54.89 3ham s ARG 201 Cb -0.02 0.31 0.13 0.00 0.52 0.00 0.00 34.95 35.89 3ham s ARG 201 CO 0.19 -0.22 0.60 0.09 0.02 0.00 0.00 175.30 175.99 3ham n ASN 202 N 0.77 -3.14 -1.89 0.23 3.02 -1.26 0.12 115.26 113.11 3ham n ASN 202 Ca -0.19 -0.70 -0.18 0.00 -0.03 0.00 0.00 54.58 53.47 3ham n ASN 202 Cb 0.58 -2.61 -0.05 0.00 -0.61 0.00 0.00 39.78 37.09 3ham n ASN 202 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 3ham n ASN 203 N -2.41 -5.05 -4.19 6.41 3.02 -1.26 -4.99 115.26 106.79 3ham n ASN 203 Ca 0.05 0.29 -0.22 0.00 -0.03 0.00 0.00 54.58 54.66 3ham n ASN 203 Cb 0.50 -4.39 -0.13 0.00 -0.61 0.00 0.00 39.78 35.15 3ham n ASN 203 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 3ham s ARG 204 N -4.15 1.12 0.19 3.52 1.81 0.33 -4.54 118.95 117.22 3ham s ARG 204 Ca 0.00 -0.86 -0.33 0.00 -1.72 0.00 0.00 55.73 52.82 3ham s ARG 204 Cb 0.00 -1.18 -0.14 0.00 -0.45 0.00 0.00 34.95 33.18 3ham s ARG 204 CO 0.00 0.29 1.53 -0.11 -0.68 0.00 0.00 175.30 176.33 3ham n LEU 205 N 1.80 3.12 0.00 2.53 7.94 -1.26 -1.64 117.00 129.49 3ham n LEU 205 Ca -0.18 1.10 0.00 0.00 -1.11 0.00 0.00 56.01 55.82 3ham n LEU 205 Cb 0.54 -1.43 0.00 0.00 0.53 0.00 0.00 43.42 43.06 3ham n LEU 205 CO 0.23 -0.34 -0.45 0.33 -1.11 0.00 0.00 177.39 176.05 3ham n PHE 206 N 2.95 0.00 -3.50 1.96 7.35 0.36 -4.84 117.46 121.73 3ham n PHE 206 Ca 0.15 0.00 -0.14 0.00 -0.76 0.00 0.00 57.45 56.70 3ham n PHE 206 Cb 0.30 0.00 -0.04 0.00 0.35 0.00 0.00 39.48 40.08 3ham n PHE 206 CO 0.00 0.00 0.00 0.20 -0.76 0.00 0.00 176.76 176.20 3ham s GLY 207 N -2.75 -0.54 -0.03 7.13 0.00 -0.71 -1.87 107.32 108.55 3ham s GLY 207 Ca 0.00 0.78 0.01 0.00 0.00 0.00 0.00 44.72 45.51 3ham s GLY 207 CO 0.00 0.45 -0.03 0.14 0.00 0.00 0.00 173.10 173.66 3ham s VAL 208 N -2.51 0.39 0.41 1.40 1.01 -0.43 -1.43 120.40 119.24 3ham s VAL 208 Ca -0.05 -0.09 0.05 0.00 0.00 0.00 0.00 61.98 61.89 3ham s VAL 208 Cb -0.01 -0.41 -0.02 0.00 0.00 0.00 0.00 36.38 35.94 3ham s VAL 208 CO -0.02 0.17 0.18 2.30 0.00 0.00 0.00 175.10 177.73 3ham n ILE 209 N 3.73 0.00 -3.18 2.22 -5.35 -0.59 -4.01 119.36 112.18 3ham n ILE 209 Ca -0.22 -2.48 -0.08 0.00 -0.27 0.00 0.00 62.75 59.69 3ham n ILE 209 Cb 0.53 0.97 0.00 0.00 -1.74 0.00 0.00 39.64 39.40 3ham n ILE 209 CO 0.00 0.00 0.00 0.47 -1.76 0.00 0.00 176.55 175.26 3ham n ASP 210 N -1.54 -7.18 -1.38 7.28 8.00 -1.26 -4.87 116.55 115.60 3ham n ASP 210 Ca -0.03 -0.12 -0.00 0.00 0.71 0.00 0.00 54.79 55.34 3ham n ASP 210 Cb 0.63 -4.49 0.20 0.00 -0.02 0.00 0.00 41.12 37.44 3ham n ASP 210 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 3ham n PHE 211 N -1.57 1.30 0.22 1.24 3.72 -1.26 -4.56 117.46 116.55 3ham n PHE 211 Ca -0.04 -0.61 0.15 0.00 -0.05 0.00 0.00 57.45 56.90 3ham n PHE 211 Cb 0.54 -0.41 0.79 0.00 -0.94 0.00 0.00 39.48 39.46 3ham n PHE 211 CO 0.00 0.00 0.00 0.78 -0.05 0.00 0.00 176.76 177.49 3ham h GLY 212 N 3.94 0.00 -1.73 1.37 0.00 -1.90 -0.78 103.07 103.97 3ham h GLY 212 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.42 3ham h GLY 212 CO 0.36 0.00 0.00 1.22 0.00 0.00 0.00 176.54 178.12 3ham n ASP 213 N -4.05 2.78 -4.50 0.19 8.00 -1.26 -4.88 116.55 112.83 3ham n ASP 213 Ca 0.00 -1.89 -0.39 0.00 0.71 0.00 0.00 54.79 53.22 3ham n ASP 213 Cb 0.24 -0.15 0.03 0.00 -0.02 0.00 0.00 41.12 41.22 3ham n ASP 213 CO 0.00 0.00 0.00 2.22 -0.39 0.00 0.00 177.20 179.03 3ham n PHE 214 N 1.08 -0.26 -2.99 1.24 -1.74 -0.30 -4.63 117.46 109.86 3ham n PHE 214 Ca 0.18 0.49 0.00 0.00 -0.56 0.00 0.00 57.45 57.56 3ham n PHE 214 Cb 0.52 -2.02 0.00 0.00 1.52 0.00 0.00 39.48 39.50 3ham n PHE 214 CO 0.00 0.00 0.00 0.27 -0.56 0.00 0.00 176.76 176.47 3ham n ASN 215 N 0.58 0.00 -4.35 5.98 0.23 -1.06 -5.01 115.26 111.62 3ham n ASN 215 Ca 0.11 -0.63 -0.35 0.00 -0.53 0.00 0.00 54.58 53.18 3ham n ASN 215 Cb 0.44 0.00 -0.14 0.00 -2.08 0.00 0.00 39.78 38.01 3ham n ASN 215 CO 0.00 0.00 0.00 -0.69 -0.93 0.00 0.00 177.26 175.64 3ham s VAL 216 N -2.51 3.60 0.00 3.53 1.01 -1.16 -0.90 120.40 123.96 3ham s VAL 216 Ca 0.00 -0.42 0.00 0.00 0.00 0.00 0.00 61.98 61.56 3ham s VAL 216 Cb 0.00 -2.65 0.00 0.00 0.00 0.00 0.00 36.38 33.73 3ham s VAL 216 CO 0.00 0.41 0.00 0.61 0.00 0.00 0.00 175.10 176.12 3ham n GLY 217 N 4.76 1.05 3.61 4.51 0.00 0.17 -3.46 105.19 115.82 3ham n GLY 217 Ca -0.18 -0.47 -0.43 0.00 0.00 0.00 0.00 46.02 44.94 3ham n GLY 217 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3ham s ASP 218 N 2.00 5.78 0.52 1.61 3.68 -1.26 -1.88 116.67 127.12 3ham s ASP 218 Ca 0.00 1.84 0.38 0.00 2.13 0.00 0.00 52.55 56.89 3ham s ASP 218 Cb 0.00 -2.52 1.54 0.00 -1.45 0.00 0.00 42.92 40.49 3ham s ASP 218 CO 0.00 -1.71 1.72 1.55 0.13 0.00 0.00 175.17 176.86 3ham h PRO 219 N 13.53 0.05 0.00 4.34 0.13 -1.86 0.16 132.00 148.35 3ham h PRO 219 Ca -0.40 -0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.72 3ham h PRO 219 Cb 1.21 -0.01 -0.00 0.00 0.13 0.00 0.00 31.00 32.33 3ham h PRO 219 CO 0.98 0.03 -0.04 -0.44 -0.23 0.00 0.00 178.00 178.30 3ham h ASP 220 N 0.05 0.00 -1.15 1.44 3.32 -1.97 -1.80 116.42 116.31 3ham h ASP 220 Ca 0.70 0.00 0.33 0.00 0.02 0.00 0.00 57.03 58.08 3ham h ASP 220 Cb 2.62 0.00 -0.05 0.00 0.22 0.00 0.00 39.33 42.12 3ham h ASP 220 CO -0.09 0.04 0.93 0.78 -1.72 0.00 0.00 179.24 179.18 3ham h ASN 221 N 0.00 0.00 -0.04 6.45 4.21 -1.06 0.14 115.58 125.28 3ham h ASN 221 Ca -0.00 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.51 3ham h ASN 221 Cb 0.11 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.31 3ham h ASN 221 CO 0.01 0.00 0.00 0.47 -1.29 0.00 0.00 177.43 176.62 3ham n ASP 222 N -3.91 1.38 -0.00 5.81 10.43 -0.68 -2.86 116.55 126.72 3ham n ASP 222 Ca 0.25 -1.50 0.08 0.00 2.57 0.00 0.00 54.79 56.19 3ham n ASP 222 Cb 1.30 -0.02 -0.11 0.00 1.84 0.00 0.00 41.12 44.13 3ham n ASP 222 CO 0.00 0.00 0.00 0.49 -1.07 0.00 0.00 177.20 176.62 3ham n PHE 223 N 0.09 0.00 -0.15 1.24 3.01 0.49 -4.74 117.46 117.39 3ham n PHE 223 Ca 0.19 0.00 -0.04 0.00 1.01 0.00 0.00 57.45 58.61 3ham n PHE 223 Cb 0.32 -0.15 0.03 0.00 -0.01 0.00 0.00 39.48 39.67 3ham n PHE 223 CO 0.00 0.00 0.00 -0.07 1.01 0.00 0.00 176.76 177.70 3ham h LEU 224 N 0.00 -0.44 0.48 4.37 3.38 -1.46 -1.11 115.31 120.54 3ham h LEU 224 Ca 0.00 0.14 -0.02 0.00 0.09 0.00 0.00 57.88 58.09 3ham h LEU 224 Cb 0.55 0.29 0.00 0.00 0.09 0.00 0.00 40.66 41.59 3ham h LEU 224 CO 0.00 -0.15 -0.23 0.00 0.09 0.00 0.00 178.44 178.15 3ham h LEU 226 N -0.77 0.37 -1.96 0.00 3.38 -1.68 0.74 115.31 115.38 3ham h LEU 226 Ca -0.07 0.06 0.00 0.00 0.09 0.00 0.00 57.88 57.96 3ham h LEU 226 Cb 0.55 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.30 3ham h LEU 226 CO 0.11 0.09 0.00 0.18 0.09 0.00 0.00 178.44 178.91 3ham n LEU 227 N -4.53 3.02 -4.74 1.67 4.77 -0.45 -3.51 117.00 113.24 3ham n LEU 227 Ca 0.23 -1.07 -0.30 0.00 -0.03 0.00 0.00 56.01 54.84 3ham n LEU 227 Cb 0.87 -0.05 0.21 0.00 -2.33 0.00 0.00 43.42 42.12 3ham n LEU 227 CO 0.29 0.54 0.72 1.51 -1.33 0.00 0.00 177.39 179.12 3ham s ASP 228 N -1.90 2.03 -0.01 -1.43 1.47 0.25 -4.79 116.67 112.29 3ham s ASP 228 Ca 0.31 0.55 0.03 0.00 1.18 0.00 0.00 52.55 54.62 3ham s ASP 228 Cb 0.21 -0.77 0.11 0.00 -0.34 0.00 0.00 42.92 42.13 3ham s ASP 228 CO 0.30 -3.43 0.96 0.00 0.68 0.00 0.00 175.17 173.69 3ham n SER 230 N -0.09 1.23 -0.59 0.00 3.41 -1.26 -5.02 113.62 111.30 3ham n SER 230 Ca 0.04 -1.79 0.09 0.00 -0.26 0.00 0.00 58.87 56.95 3ham n SER 230 Cb 0.19 -0.16 0.22 0.00 -0.26 0.00 0.00 64.21 64.19 3ham n SER 230 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 3ham n THR 231 N -1.50 2.13 0.21 6.66 -2.24 -1.26 -4.44 114.28 113.85 3ham n THR 231 Ca 0.06 -2.01 0.11 0.00 -2.27 0.00 0.00 64.05 59.94 3ham n THR 231 Cb 0.30 -0.24 0.22 0.00 -2.10 0.00 0.00 70.33 68.51 3ham n THR 231 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 3ham h ASP 232 N 1.15 0.00 0.00 3.42 3.32 -1.95 -3.40 116.42 118.96 3ham h ASP 232 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3ham h ASP 232 Cb 1.28 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.83 3ham h ASP 232 CO 0.14 0.09 0.00 0.47 -1.72 0.00 0.00 179.24 178.22 3ham n ASP 233 N -3.13 0.00 -0.64 6.45 8.00 -1.26 -4.30 116.55 121.66 3ham n ASP 233 Ca 0.03 0.00 0.08 0.00 0.71 0.00 0.00 54.79 55.61 3ham n ASP 233 Cb 0.53 0.00 0.21 0.00 -0.02 0.00 0.00 41.12 41.84 3ham n ASP 233 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 3ham n PHE 234 N 0.00 0.62 0.00 1.24 0.99 -1.26 -3.58 117.46 115.47 3ham n PHE 234 Ca 0.00 -1.02 0.00 0.00 -0.00 0.00 0.00 57.45 56.43 3ham n PHE 234 Cb 0.00 -0.28 0.00 0.00 -1.00 0.00 0.00 39.48 38.20 3ham n PHE 234 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 3ham n GLY 235 N -0.91 -1.17 0.27 1.37 0.00 -1.26 -4.38 105.19 99.10 3ham n GLY 235 Ca 0.21 -1.60 -0.11 0.00 0.00 0.00 0.00 46.02 44.51 3ham n GLY 235 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3ham h LYS 236 N 0.00 0.92 -0.64 1.61 1.57 -1.80 -3.12 116.57 115.11 3ham h LYS 236 Ca 0.00 -0.37 0.09 0.00 -1.87 0.00 0.00 60.65 58.50 3ham h LYS 236 Cb 0.00 -0.04 -0.07 0.00 0.08 0.00 0.00 32.23 32.20 3ham h LYS 236 CO 0.00 1.03 0.28 1.49 -0.57 0.00 0.00 179.45 181.68 3ham h GLU 237 N 0.77 0.47 -0.08 3.15 4.57 -1.90 0.16 114.58 121.74 3ham h GLU 237 Ca 0.11 -0.03 0.04 0.00 -1.18 0.00 0.00 59.36 58.31 3ham h GLU 237 Cb 0.71 -0.11 -0.05 0.00 -0.16 0.00 0.00 28.75 29.13 3ham h GLU 237 CO 0.05 0.31 -0.28 0.35 -1.18 0.00 0.00 179.01 178.26 3ham h PHE 238 N 0.49 -0.77 -0.98 0.92 3.04 -1.75 0.72 116.94 118.62 3ham h PHE 238 Ca 0.32 0.03 0.29 0.00 3.98 0.00 0.00 57.97 62.59 3ham h PHE 238 Cb 0.37 0.35 -0.14 0.00 2.56 0.00 0.00 35.95 39.08 3ham h PHE 238 CO -0.14 -0.37 0.51 0.78 -2.02 0.00 0.00 178.31 177.07 3ham h GLY 239 N -0.38 1.90 1.03 2.40 0.00 -0.85 0.19 103.07 107.37 3ham h GLY 239 Ca 0.08 -0.21 -0.11 0.00 0.00 0.00 0.00 47.33 47.09 3ham h GLY 239 CO -0.29 -0.42 -0.15 3.21 0.00 0.00 0.00 176.54 178.89 3ham h ARG 240 N 0.35 0.87 -0.53 4.80 3.08 0.14 -2.34 114.38 120.75 3ham h ARG 240 Ca 0.68 -0.35 0.10 0.00 0.07 0.00 0.00 59.98 60.48 3ham h ARG 240 Cb 1.48 -0.04 -0.03 0.00 0.08 0.00 0.00 29.97 31.46 3ham h ARG 240 CO -0.59 0.99 0.36 0.87 -1.07 0.00 0.00 179.97 180.53 3ham h LYS 241 N 0.70 0.28 0.06 0.04 1.57 0.82 -0.95 116.57 119.09 3ham h LYS 241 Ca 0.11 -0.02 -0.26 0.00 -1.87 0.00 0.00 60.65 58.61 3ham h LYS 241 Cb 0.70 -0.06 0.01 0.00 0.08 0.00 0.00 32.23 32.95 3ham h LYS 241 CO 0.05 0.19 -1.09 0.28 -0.57 0.00 0.00 179.45 178.31 3ham h VAL 242 N 0.29 1.37 -0.13 0.50 2.07 -0.73 -2.00 116.25 117.62 3ham h VAL 242 Ca 0.25 -2.54 0.02 0.00 0.82 0.00 0.00 66.70 65.25 3ham h VAL 242 Cb 0.59 2.58 -0.02 0.00 -1.52 0.00 0.00 31.29 32.92 3ham h VAL 242 CO -0.05 0.76 -0.03 -0.07 0.02 0.00 0.00 177.57 178.20 3ham h LEU 243 N 0.23 -0.11 -0.58 2.57 3.38 -0.82 -1.88 115.31 118.10 3ham h LEU 243 Ca -0.12 0.04 0.11 0.00 0.09 0.00 0.00 57.88 57.99 3ham h LEU 243 Cb 1.75 0.08 -0.08 0.00 0.09 0.00 0.00 40.66 42.50 3ham h LEU 243 CO 0.20 -0.04 0.11 0.50 0.09 0.00 0.00 178.44 179.30 3ham h LYS 244 N 0.00 0.24 -0.00 1.13 3.64 -1.08 -0.82 116.57 119.68 3ham h LYS 244 Ca 0.06 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.43 3ham h LYS 244 Cb 0.09 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 31.86 3ham h LYS 244 CO -0.13 0.16 -0.00 0.66 -2.27 0.00 0.00 179.45 177.87 3ham n TYR 245 N -5.13 0.00 0.77 1.91 4.02 -0.76 -2.44 117.16 115.52 3ham n TYR 245 Ca 0.08 0.00 0.08 0.00 -0.01 0.00 0.00 57.90 58.05 3ham n TYR 245 Cb 0.31 -0.14 -0.06 0.00 -0.02 0.00 0.00 39.34 39.43 3ham n TYR 245 CO 0.00 0.00 0.00 0.98 -1.01 0.00 0.00 176.86 176.83 3ham n TYR 246 N -1.13 0.00 -4.25 -0.72 4.19 -0.42 -4.65 117.16 110.19 3ham n TYR 246 Ca 0.19 0.00 -0.34 0.00 3.31 0.00 0.00 57.90 61.07 3ham n TYR 246 Cb 0.18 0.00 -0.06 0.00 0.49 0.00 0.00 39.34 39.95 3ham n TYR 246 CO 0.00 0.00 0.00 0.00 0.91 0.00 0.00 176.86 177.77 3ham n GLN 247 N -0.94 -2.06 -1.69 2.98 0.00 -0.59 -4.91 117.38 110.16 3ham n GLN 247 Ca 0.04 0.25 -0.43 0.00 0.00 0.00 0.00 57.00 56.87 3ham n GLN 247 Cb 0.29 -4.45 -0.01 0.00 0.00 0.00 0.00 30.24 26.07 3ham n GLN 247 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.06 178.64 3ham n HIS 248 N -4.38 2.17 0.86 2.61 -0.00 -0.94 -4.92 115.22 110.62 3ham n HIS 248 Ca -0.12 0.56 0.12 0.00 0.46 0.00 0.00 57.72 58.73 3ham n HIS 248 Cb 0.59 -2.40 0.16 0.00 -0.12 0.00 0.00 29.99 28.22 3ham n HIS 248 CO 0.00 0.00 0.00 1.63 0.46 0.00 0.00 176.34 178.43 3ham n LYS 249 N 0.52 0.09 -3.10 1.57 5.02 -1.26 -4.39 118.16 116.61 3ham n LYS 249 Ca 0.05 0.01 -0.19 0.00 -2.02 0.00 0.00 58.31 56.16 3ham n LYS 249 Cb 0.36 -1.54 -0.03 0.00 -0.02 0.00 0.00 35.03 33.80 3ham n LYS 249 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3ham n ALA 250 N -1.61 1.58 0.02 7.82 0.00 -1.26 -4.99 120.51 122.07 3ham n ALA 250 Ca 0.04 -3.01 0.21 0.00 0.00 0.00 0.00 53.44 50.68 3ham n ALA 250 Cb 0.37 -0.94 0.72 0.00 0.00 0.00 0.00 19.45 19.60 3ham n ALA 250 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 3ham h PRO 251 N 3.57 0.00 0.00 0.00 0.13 -1.97 0.22 132.00 133.94 3ham h PRO 251 Ca 0.04 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.17 3ham h PRO 251 Cb 0.95 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.08 3ham h PRO 251 CO 0.43 0.00 -0.28 0.39 -0.23 0.00 0.00 178.00 178.31 3ham n GLU 252 N -4.16 0.10 0.10 0.86 1.02 -1.26 -2.03 120.64 115.27 3ham n GLU 252 Ca 0.09 0.05 -0.23 0.00 -0.02 0.00 0.00 57.16 57.06 3ham n GLU 252 Cb 0.63 -1.59 -0.15 0.00 -0.02 0.00 0.00 31.44 30.31 3ham n GLU 252 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 3ham h VAL 253 N 0.00 1.08 -0.99 2.62 2.07 -1.39 -2.69 116.25 116.95 3ham h VAL 253 Ca 0.00 -2.61 0.01 0.00 0.82 0.00 0.00 66.70 64.91 3ham h VAL 253 Cb 0.59 2.86 -0.05 0.00 -1.52 0.00 0.00 31.29 33.17 3ham h VAL 253 CO 0.00 0.84 0.64 0.00 0.02 0.00 0.00 177.57 179.07 3ham h ALA 254 N 0.17 1.27 -0.17 1.67 0.00 -1.43 -1.74 119.26 119.04 3ham h ALA 254 Ca -0.30 -0.08 -0.06 0.00 0.00 0.00 0.00 54.91 54.47 3ham h ALA 254 Cb 2.12 -0.40 -0.00 0.00 0.00 0.00 0.00 17.79 19.50 3ham h ALA 254 CO 0.21 0.66 -0.14 1.49 0.00 0.00 0.00 179.25 181.48 3ham h GLU 255 N 1.34 0.38 -0.26 0.00 4.81 -1.49 -2.71 114.58 116.67 3ham h GLU 255 Ca 0.36 -0.19 0.04 0.00 -0.13 0.00 0.00 59.36 59.44 3ham h GLU 255 Cb -0.13 0.00 -0.04 0.00 0.63 0.00 0.00 28.75 29.21 3ham h GLU 255 CO -0.07 0.74 0.01 0.00 -0.73 0.00 0.00 179.01 178.96 3ham h ARG 256 N 0.04 0.09 -0.77 1.92 2.47 -1.32 -0.35 114.38 116.46 3ham h ARG 256 Ca 0.03 -0.01 0.18 0.00 -1.26 0.00 0.00 59.98 58.92 3ham h ARG 256 Cb 0.65 -0.02 -0.12 0.00 -1.65 0.00 0.00 29.97 28.83 3ham h ARG 256 CO 0.04 0.06 0.18 0.87 0.56 0.00 0.00 179.97 181.68 3ham h LYS 257 N 0.10 0.24 -0.40 0.04 1.57 -1.30 0.50 116.57 117.31 3ham h LYS 257 Ca 0.12 -0.01 -0.12 0.00 -1.87 0.00 0.00 60.65 58.77 3ham h LYS 257 Cb 0.15 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.39 3ham h LYS 257 CO -0.19 0.16 -0.22 0.00 -0.57 0.00 0.00 179.45 178.62 3ham h ALA 258 N 1.66 0.85 -0.50 3.86 0.00 -1.00 0.54 119.26 124.67 3ham h ALA 258 Ca 0.45 -0.38 -0.05 0.00 0.00 0.00 0.00 54.91 54.93 3ham h ALA 258 Cb 0.80 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.41 3ham h ALA 258 CO -0.56 0.64 0.13 0.93 0.00 0.00 0.00 179.25 180.39 3ham h GLU 259 N 0.70 0.80 -0.32 0.00 5.08 0.57 -0.82 114.58 120.60 3ham h GLU 259 Ca 0.10 -0.19 -0.05 0.00 -1.00 0.00 0.00 59.36 58.22 3ham h GLU 259 Cb 0.74 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.88 3ham h GLU 259 CO 0.06 0.77 0.00 -0.07 -1.00 0.00 0.00 179.01 178.77 3ham h LEU 260 N 0.69 0.55 -0.89 1.33 3.38 0.25 -2.10 115.31 118.51 3ham h LEU 260 Ca 0.16 -0.30 0.17 0.00 0.09 0.00 0.00 57.88 58.00 3ham h LEU 260 Cb 0.32 -0.15 -0.10 0.00 0.09 0.00 0.00 40.66 40.82 3ham h LEU 260 CO 0.00 0.72 0.47 -1.13 0.09 0.00 0.00 178.44 178.59 3ham h ASN 261 N 0.36 0.55 0.20 -0.43 -1.24 0.34 -0.84 115.58 114.53 3ham h ASN 261 Ca 0.09 0.11 -0.08 0.00 0.71 0.00 0.00 56.30 57.13 3ham h ASN 261 Cb 0.43 0.02 -0.01 0.00 0.73 0.00 0.00 38.32 39.49 3ham h ASN 261 CO 0.02 0.19 -0.30 0.44 -1.29 0.00 0.00 177.43 176.48 3ham h ASP 262 N 0.61 0.17 1.44 1.15 3.32 -0.52 -1.12 116.42 121.48 3ham h ASP 262 Ca 0.51 -0.05 0.00 0.00 0.02 0.00 0.00 57.03 57.51 3ham h ASP 262 Cb 0.79 -0.05 0.00 0.00 0.22 0.00 0.00 39.33 40.30 3ham h ASP 262 CO -0.40 0.47 0.00 1.62 -1.72 0.00 0.00 179.24 179.21 3ham h VAL 263 N 0.15 0.00 -0.00 -1.35 3.04 -0.57 -2.87 116.25 114.65 3ham h VAL 263 Ca 0.02 -0.71 0.00 0.00 -1.01 0.00 0.00 66.70 65.00 3ham h VAL 263 Cb 0.62 1.70 0.00 0.00 -2.01 0.00 0.00 31.29 31.60 3ham h VAL 263 CO 0.04 0.00 -0.32 0.00 -1.01 0.00 0.00 177.57 176.28 3ham n TYR 264 N -3.04 0.00 0.07 3.17 9.36 -0.47 -3.92 117.16 122.33 3ham n TYR 264 Ca 0.02 0.00 0.10 0.00 3.32 0.00 0.00 57.90 61.34 3ham n TYR 264 Cb 0.40 -0.23 0.56 0.00 -0.63 0.00 0.00 39.34 39.44 3ham n TYR 264 CO 0.00 0.00 0.00 2.35 0.22 0.00 0.00 176.86 179.43 3ham h TRP 265 N 0.41 0.23 -0.14 2.98 -0.00 -1.20 -0.64 115.95 117.59 3ham h TRP 265 Ca 0.00 0.01 0.02 0.00 -0.00 0.00 0.00 58.89 58.91 3ham h TRP 265 Cb 0.48 -0.08 -0.02 0.00 -0.00 0.00 0.00 29.16 29.55 3ham h TRP 265 CO 0.00 0.13 0.03 0.66 -0.00 0.00 0.00 178.44 179.26 3ham h SER 266 N 0.23 0.02 0.31 2.65 4.64 -1.79 0.33 113.55 119.93 3ham h SER 266 Ca 0.14 0.02 -0.02 0.00 -0.47 0.00 0.00 61.79 61.47 3ham h SER 266 Cb 0.28 0.02 0.00 0.00 -0.31 0.00 0.00 62.40 62.40 3ham h SER 266 CO -0.03 0.03 -0.15 0.40 -0.87 0.00 0.00 176.83 176.22 3ham h ILE 267 N 0.09 0.72 -0.92 0.95 2.04 -1.68 -2.79 117.51 115.92 3ham h ILE 267 Ca 0.06 -0.28 0.26 0.00 1.00 0.00 0.00 64.86 65.90 3ham h ILE 267 Cb 0.05 0.87 -0.16 0.00 -0.74 0.00 0.00 36.82 36.84 3ham h ILE 267 CO -0.08 0.06 0.13 0.44 0.00 0.00 0.00 178.15 178.70 3ham h ASP 268 N -0.57 -0.25 -0.08 1.72 5.19 -0.98 -0.92 116.42 120.53 3ham h ASP 268 Ca -0.04 0.24 -0.01 0.00 -0.62 0.00 0.00 57.03 56.60 3ham h ASP 268 Cb 0.41 0.38 -0.00 0.00 0.18 0.00 0.00 39.33 40.30 3ham h ASP 268 CO 0.07 -0.27 0.03 1.56 -3.12 0.00 0.00 179.24 177.51 3ham h GLN 269 N 0.09 0.13 -0.45 3.56 4.20 -0.74 -0.40 115.11 121.49 3ham h GLN 269 Ca 0.58 -0.03 0.09 0.00 0.06 0.00 0.00 58.65 59.35 3ham h GLN 269 Cb 1.19 -0.02 -0.08 0.00 0.30 0.00 0.00 27.48 28.87 3ham h GLN 269 CO -0.79 0.29 -0.06 0.82 -0.67 0.00 0.00 178.83 178.42 3ham h ILE 270 N -0.05 0.60 -0.21 2.54 2.04 -0.94 0.86 117.51 122.35 3ham h ILE 270 Ca 0.03 -0.02 -0.05 0.00 1.00 0.00 0.00 64.86 65.82 3ham h ILE 270 Cb 0.21 0.54 -0.01 0.00 -0.74 0.00 0.00 36.82 36.83 3ham h ILE 270 CO -0.00 0.01 -0.05 0.40 0.00 0.00 0.00 178.15 178.51 3ham h ILE 271 N 0.05 1.28 -0.00 -0.67 2.04 -1.08 -1.43 117.51 117.70 3ham h ILE 271 Ca 0.22 -1.03 -0.14 0.00 1.00 0.00 0.00 64.86 64.90 3ham h ILE 271 Cb 0.33 1.54 -0.02 0.00 -0.74 0.00 0.00 36.82 37.93 3ham h ILE 271 CO -0.42 0.32 -0.69 1.88 0.00 0.00 0.00 178.15 179.24 3ham h TYR 272 N 0.13 0.01 -0.49 1.37 0.99 -1.01 0.07 116.97 118.04 3ham h TYR 272 Ca 0.05 -0.00 0.04 0.00 2.00 0.00 0.00 58.73 60.82 3ham h TYR 272 Cb 0.50 -0.00 -0.04 0.00 1.00 0.00 0.00 36.73 38.19 3ham h TYR 272 CO 0.05 0.69 0.26 0.78 -0.00 0.00 0.00 178.16 179.94 3ham h GLY 273 N 2.05 0.68 0.84 3.88 0.00 0.86 0.13 103.07 111.50 3ham h GLY 273 Ca -0.01 -0.18 -0.13 0.00 0.00 0.00 0.00 47.33 47.01 3ham h GLY 273 CO 0.09 0.13 -0.45 -1.82 0.00 0.00 0.00 176.54 174.49 3ham h TYR 274 N 0.51 0.65 -0.11 5.60 5.03 -1.19 0.36 116.97 127.81 3ham h TYR 274 Ca 0.21 -0.28 0.03 0.00 2.58 0.00 0.00 58.73 61.27 3ham h TYR 274 Cb 0.10 -0.10 -0.06 0.00 1.55 0.00 0.00 36.73 38.21 3ham h TYR 274 CO -0.09 1.05 -0.54 1.49 -1.32 0.00 0.00 178.16 178.74 3ham h GLU 275 N 0.07 -0.58 -0.07 1.82 4.57 -0.71 -2.34 114.58 117.34 3ham h GLU 275 Ca -0.03 0.04 0.00 0.00 -1.18 0.00 0.00 59.36 58.19 3ham h GLU 275 Cb 1.09 0.13 0.00 0.00 -0.16 0.00 0.00 28.75 29.82 3ham h GLU 275 CO 0.09 -0.39 0.00 0.54 -1.18 0.00 0.00 179.01 178.08 3ham n ARG 276 N -5.44 1.41 -3.54 1.92 1.74 0.42 -4.91 116.66 108.27 3ham n ARG 276 Ca -0.06 -0.62 -0.22 0.00 -0.77 0.00 0.00 57.85 56.18 3ham n ARG 276 Cb 0.38 -1.39 0.08 0.00 -1.02 0.00 0.00 32.46 30.51 3ham n ARG 276 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 3ham n LYS 277 N -0.19 -7.53 -3.69 5.56 5.02 -0.88 -4.97 118.16 111.47 3ham n LYS 277 Ca 0.17 0.82 -0.37 0.00 -2.02 0.00 0.00 58.31 56.91 3ham n LYS 277 Cb 0.23 -5.83 -0.09 0.00 -0.02 0.00 0.00 35.03 29.32 3ham n LYS 277 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 3ham s ASP 278 N -3.58 5.34 0.00 4.39 -1.08 0.12 -4.93 116.67 116.93 3ham s ASP 278 Ca 0.43 -2.90 0.28 0.00 -0.52 0.00 0.00 52.55 49.85 3ham s ASP 278 Cb -0.19 -1.88 1.55 0.00 -1.46 0.00 0.00 42.92 40.94 3ham s ASP 278 CO 0.72 -0.37 2.01 0.54 0.52 0.00 0.00 175.17 178.59 3ham n ARG 279 N 3.45 0.62 0.08 4.34 1.74 -1.26 -1.84 116.66 123.79 3ham n ARG 279 Ca 0.09 0.01 -0.22 0.00 -0.77 0.00 0.00 57.85 56.97 3ham n ARG 279 Cb 0.38 -1.50 -0.14 0.00 -1.02 0.00 0.00 32.46 30.18 3ham n ARG 279 CO 0.00 0.00 0.00 0.93 -1.52 0.00 0.00 177.63 177.04 3ham h GLU 280 N 0.00 0.43 0.04 5.56 5.08 -1.92 -2.82 114.58 120.95 3ham h GLU 280 Ca 0.00 -0.68 -0.00 0.00 -1.00 0.00 0.00 59.36 57.68 3ham h GLU 280 Cb 0.15 0.24 0.00 0.00 0.50 0.00 0.00 28.75 29.64 3ham h GLU 280 CO 0.00 1.31 -0.02 1.98 -1.00 0.00 0.00 179.01 181.28 3ham h MET 281 N -0.10 -0.05 -0.55 2.33 4.05 -1.88 -2.49 114.93 116.24 3ham h MET 281 Ca -0.18 0.00 0.08 0.00 -0.28 0.00 0.00 59.70 59.33 3ham h MET 281 Cb 1.81 0.01 -0.10 0.00 -0.80 0.00 0.00 31.60 32.52 3ham h MET 281 CO 0.20 0.29 -0.44 1.25 0.23 0.00 0.00 176.91 178.44 3ham h LEU 282 N -0.39 -1.50 -1.23 3.39 6.46 -1.48 0.40 115.31 120.95 3ham h LEU 282 Ca -0.01 0.24 -0.07 0.00 -0.12 0.00 0.00 57.88 57.93 3ham h LEU 282 Cb 0.36 0.68 -0.01 0.00 -0.73 0.00 0.00 40.66 40.95 3ham h LEU 282 CO 0.01 -0.34 -0.25 -0.29 -0.62 0.00 0.00 178.44 176.95 3ham h ILE 283 N -0.25 1.23 -0.12 4.05 6.09 -1.53 -1.05 117.51 125.93 3ham h ILE 283 Ca 0.17 -1.09 -0.01 0.00 -1.37 0.00 0.00 64.86 62.56 3ham h ILE 283 Cb 0.57 1.42 -0.00 0.00 0.47 0.00 0.00 36.82 39.27 3ham h ILE 283 CO -0.67 0.33 0.03 0.50 -3.07 0.00 0.00 178.15 175.26 3ham h LYS 284 N 0.19 0.19 -0.59 2.19 3.64 -0.78 -1.35 116.57 120.07 3ham h LYS 284 Ca 0.03 -0.05 0.06 0.00 -1.27 0.00 0.00 60.65 59.42 3ham h LYS 284 Cb 0.55 -0.02 -0.09 0.00 -0.41 0.00 0.00 32.23 32.26 3ham h LYS 284 CO 0.04 0.37 -0.53 0.78 -2.27 0.00 0.00 179.45 177.84 3ham h GLY 285 N -0.02 -1.05 0.99 5.01 0.00 0.65 -1.62 103.07 107.03 3ham h GLY 285 Ca 0.04 0.77 0.01 0.00 0.00 0.00 0.00 47.33 48.15 3ham h GLY 285 CO 0.00 -0.11 0.57 -0.24 0.00 0.00 0.00 176.54 176.76 3ham h VAL 286 N -0.23 1.21 -0.81 4.60 3.04 -1.08 0.20 116.25 123.18 3ham h VAL 286 Ca 0.10 -0.40 0.08 0.00 -1.01 0.00 0.00 66.70 65.47 3ham h VAL 286 Cb 0.49 -0.05 -0.07 0.00 -2.01 0.00 0.00 31.29 29.65 3ham h VAL 286 CO -0.67 0.21 0.47 -1.28 -1.01 0.00 0.00 177.57 175.29 3ham h SER 287 N 1.15 0.70 0.37 3.17 0.87 -0.92 -0.87 113.55 118.02 3ham h SER 287 Ca 0.32 0.04 -0.23 0.00 -1.23 0.00 0.00 61.79 60.69 3ham h SER 287 Cb -0.11 -0.10 0.00 0.00 -0.44 0.00 0.00 62.40 61.75 3ham h SER 287 CO -0.08 0.42 -0.96 -0.33 -0.53 0.00 0.00 176.83 175.35 3ham h GLU 288 N 0.82 0.39 -0.65 2.24 5.08 -0.40 -3.14 114.58 118.92 3ham h GLU 288 Ca 0.38 -0.44 0.01 0.00 -1.00 0.00 0.00 59.36 58.31 3ham h GLU 288 Cb 0.29 0.13 -0.03 0.00 0.50 0.00 0.00 28.75 29.63 3ham h GLU 288 CO -0.22 1.11 0.42 1.25 -1.00 0.00 0.00 179.01 180.57 3ham h LEU 289 N 0.21 0.73 -0.29 1.33 5.85 -0.57 -2.47 115.31 120.10 3ham h LEU 289 Ca -0.08 -0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.62 3ham h LEU 289 Cb 1.60 -0.18 0.00 0.00 0.37 0.00 0.00 40.66 42.46 3ham h LEU 289 CO 0.17 0.52 0.00 0.18 -0.34 0.00 0.00 178.44 178.97 3ham n LEU 290 N -4.65 0.22 -0.35 2.25 4.77 -0.37 -2.63 117.00 116.24 3ham n LEU 290 Ca 0.05 0.56 0.04 0.00 -0.03 0.00 0.00 56.01 56.64 3ham n LEU 290 Cb 0.03 -0.54 0.04 0.00 -2.33 0.00 0.00 43.42 40.62 3ham n LEU 290 CO 0.35 -0.42 0.40 0.00 -1.33 0.00 0.00 177.39 176.39 3ham n GLN 291 N -1.75 0.35 -3.62 3.23 1.13 -0.95 -4.95 117.38 110.82 3ham n GLN 291 Ca 0.02 -1.07 -0.36 0.00 -1.94 0.00 0.00 57.00 53.66 3ham n GLN 291 Cb 0.15 -1.17 -0.07 0.00 0.11 0.00 0.00 30.24 29.26 3ham n GLN 291 CO 0.00 0.00 0.00 -0.08 -1.44 0.00 0.00 177.06 175.54 3ham s THR 292 N -0.73 5.35 0.15 5.09 -1.32 -1.08 -5.06 115.64 118.04 3ham s THR 292 Ca 0.10 0.41 -0.34 0.00 -1.21 0.00 0.00 61.69 60.65 3ham s THR 292 Cb 0.07 -3.56 -0.14 0.00 -1.51 0.00 0.00 72.50 67.36 3ham s THR 292 CO 0.11 0.42 1.57 0.00 -2.21 0.00 0.00 174.62 174.51 3ham n GLN 293 N 3.43 2.09 -0.19 7.08 6.02 -1.26 -4.88 117.38 129.67 3ham n GLN 293 Ca -0.14 0.75 0.08 0.00 -0.01 0.00 0.00 57.00 57.69 3ham n GLN 293 Cb 0.52 -2.52 0.37 0.00 1.02 0.00 0.00 30.24 29.64 3ham n GLN 293 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3ham h ALA 294 N 5.96 1.76 0.00 -1.58 0.00 -1.94 -1.81 119.26 121.66 3ham h ALA 294 Ca -0.45 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.45 3ham h ALA 294 Cb 1.26 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.88 3ham h ALA 294 CO 0.88 0.10 0.00 1.05 0.00 0.00 0.00 179.25 181.28 3ham h GLU 295 N 0.71 0.00 0.00 0.00 4.11 -1.94 -2.31 114.58 115.14 3ham h GLU 295 Ca 0.34 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.77 3ham h GLU 295 Cb 0.39 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.64 3ham h GLU 295 CO -0.12 0.00 0.00 -1.33 0.07 0.00 0.00 179.01 177.63 3ham n MET 296 N -2.96 0.42 0.00 1.06 2.81 -0.68 -1.75 117.12 116.02 3ham n MET 296 Ca -0.01 0.00 0.11 0.00 -1.81 0.00 0.00 57.70 55.99 3ham n MET 296 Cb 0.16 -1.50 -0.02 0.00 -0.71 0.00 0.00 33.22 31.15 3ham n MET 296 CO 0.00 0.00 0.00 1.19 1.51 0.00 0.00 175.97 178.67 3ham n PHE 297 N -1.01 0.00 -2.61 2.03 3.01 -0.87 -4.93 117.46 113.09 3ham n PHE 297 Ca 0.10 0.00 -0.37 0.00 1.01 0.00 0.00 57.45 58.19 3ham n PHE 297 Cb 0.05 -0.03 -0.05 0.00 -0.01 0.00 0.00 39.48 39.44 3ham n PHE 297 CO 0.00 0.00 0.00 0.42 1.01 0.00 0.00 176.76 178.19 3ham s ILE 298 N -2.76 3.84 -2.00 4.37 1.01 -0.72 -4.15 121.20 120.79 3ham s ILE 298 Ca 0.13 1.50 0.03 0.00 0.00 0.00 0.00 60.65 62.31 3ham s ILE 298 Cb 0.17 -3.82 0.08 0.00 0.01 0.00 0.00 42.46 38.90 3ham s ILE 298 CO 0.72 0.10 0.65 0.33 0.00 0.00 0.00 174.94 176.73