#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 5.03 0.18 3.17 1.01 -1.26 -5.06 120.40 123.47 3ham s VAL 2 Ca 0.00 1.45 0.08 0.00 0.00 0.00 0.00 61.98 63.51 3ham s VAL 2 Cb 0.00 -4.05 -0.04 0.00 0.00 0.00 0.00 36.38 32.29 3ham s VAL 2 CO 0.00 0.23 -0.15 0.54 0.00 0.00 0.00 175.10 175.72 3ham s ASN 3 N 0.84 2.49 -0.13 3.32 4.22 -1.26 -5.02 114.94 119.40 3ham s ASN 3 Ca 0.37 -0.94 -0.08 0.00 -2.14 0.00 0.00 52.86 50.08 3ham s ASN 3 Cb -0.18 -0.13 -0.04 0.00 1.28 0.00 0.00 41.25 42.18 3ham s ASN 3 CO 0.18 -0.13 0.16 -0.22 -2.04 0.00 0.00 177.10 175.05 3ham s LEU 4 N -2.97 4.36 0.34 3.54 0.20 -1.26 -5.07 118.68 117.81 3ham s LEU 4 Ca 0.18 0.46 -0.28 0.00 0.69 0.00 0.00 54.13 55.18 3ham s LEU 4 Cb -0.03 -2.12 -0.09 0.00 -0.43 0.00 0.00 46.19 43.52 3ham s LEU 4 CO 0.06 0.35 1.16 -0.62 -0.29 0.00 0.00 176.35 177.01 3ham s ASP 5 N -0.72 6.90 0.20 3.68 -1.08 -1.26 -4.82 116.67 119.57 3ham s ASP 5 Ca 0.14 2.37 -0.20 0.00 -0.52 0.00 0.00 52.55 54.35 3ham s ASP 5 Cb -0.12 -2.63 0.16 0.00 -1.46 0.00 0.00 42.92 38.87 3ham s ASP 5 CO 0.03 -0.41 1.58 0.00 0.52 0.00 0.00 175.17 176.89 3ham h ALA 6 N 3.28 0.03 0.08 3.66 0.00 -1.99 -0.67 119.26 123.65 3ham h ALA 6 Ca -0.48 0.20 0.02 0.00 0.00 0.00 0.00 54.91 54.65 3ham h ALA 6 Cb 1.22 0.84 -0.03 0.00 0.00 0.00 0.00 17.79 19.83 3ham h ALA 6 CO 0.65 -0.65 -0.20 0.93 0.00 0.00 0.00 179.25 179.98 3ham h GLU 7 N -0.11 -0.35 0.21 0.00 5.08 -1.99 -1.67 114.58 115.76 3ham h GLU 7 Ca 0.27 0.02 0.01 0.00 -1.00 0.00 0.00 59.36 58.66 3ham h GLU 7 Cb 0.56 0.08 -0.03 0.00 0.50 0.00 0.00 28.75 29.87 3ham h GLU 7 CO -0.77 -0.23 -0.29 0.82 -1.00 0.00 0.00 179.01 177.54 3ham h ILE 8 N -0.36 0.38 -1.13 3.13 2.04 -1.58 0.17 117.51 120.17 3ham h ILE 8 Ca 0.03 0.00 0.32 0.00 1.00 0.00 0.00 64.86 66.21 3ham h ILE 8 Cb 0.39 0.38 -0.09 0.00 -0.74 0.00 0.00 36.82 36.76 3ham h ILE 8 CO -0.13 0.00 0.74 0.22 0.00 0.00 0.00 178.15 178.98 3ham h TYR 9 N -0.56 0.53 0.01 1.37 3.20 -1.15 0.36 116.97 120.72 3ham h TYR 9 Ca 0.01 0.02 -0.24 0.00 3.14 0.00 0.00 58.73 61.65 3ham h TYR 9 Cb 0.55 -0.15 0.01 0.00 1.54 0.00 0.00 36.73 38.68 3ham h TYR 9 CO -0.22 -0.01 -1.00 1.49 -1.64 0.00 0.00 178.16 176.79 3ham h GLU 10 N 0.27 0.49 -0.03 1.82 4.81 0.05 -2.46 114.58 119.53 3ham h GLU 10 Ca 0.64 -0.55 -0.17 0.00 -0.13 0.00 0.00 59.36 59.15 3ham h GLU 10 Cb 1.86 0.16 -0.01 0.00 0.63 0.00 0.00 28.75 31.38 3ham h GLU 10 CO -0.28 1.18 -0.75 0.45 -0.73 0.00 0.00 179.01 178.89 3ham h HIS 11 N 0.27 0.28 0.05 0.92 3.86 0.95 -2.61 115.15 118.87 3ham h HIS 11 Ca -0.10 -0.13 0.01 0.00 -1.16 0.00 0.00 60.37 58.98 3ham h HIS 11 Cb 1.64 -0.04 -0.01 0.00 1.06 0.00 0.00 27.41 30.06 3ham h HIS 11 CO 0.07 0.87 -0.07 1.25 0.86 0.00 0.00 177.93 180.92 3ham h LEU 12 N 0.13 -0.19 -1.54 2.43 6.46 -0.40 -1.85 115.31 120.35 3ham h LEU 12 Ca -0.03 0.02 -0.02 0.00 -0.12 0.00 0.00 57.88 57.73 3ham h LEU 12 Cb 1.32 0.07 -0.00 0.00 -0.73 0.00 0.00 40.66 41.31 3ham h LEU 12 CO 0.11 -0.11 -0.12 -1.13 -0.62 0.00 0.00 178.44 176.58 3ham h ASN 13 N -0.15 0.00 1.08 1.25 -1.24 -1.41 0.51 115.58 115.62 3ham h ASN 13 Ca 0.01 0.00 -0.17 0.00 0.71 0.00 0.00 56.30 56.85 3ham h ASN 13 Cb 0.15 0.00 -0.03 0.00 0.73 0.00 0.00 38.32 39.18 3ham h ASN 13 CO -0.04 0.12 -0.96 0.50 -1.29 0.00 0.00 177.43 175.76 3ham h LYS 14 N 0.00 0.00 0.04 6.67 3.64 -1.26 -3.31 116.57 122.34 3ham h LYS 14 Ca -0.00 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.38 3ham h LYS 14 Cb 0.53 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.35 3ham h LYS 14 CO 0.02 0.62 -0.02 1.96 -2.27 0.00 0.00 179.45 179.76 3ham h GLN 15 N 0.00 -0.05 -4.00 1.90 1.08 -0.41 -3.46 115.11 110.18 3ham h GLN 15 Ca -0.07 0.00 -0.43 0.00 -1.45 0.00 0.00 58.65 56.70 3ham h GLN 15 Cb 1.61 0.01 -0.35 0.00 -0.05 0.00 0.00 27.48 28.70 3ham h GLN 15 CO 0.08 0.42 -0.78 0.42 -0.95 0.00 0.00 178.83 178.03 3ham s ILE 16 N -2.19 0.58 -0.19 2.54 1.01 0.17 -5.10 121.20 118.02 3ham s ILE 16 Ca -0.10 -0.10 -0.29 0.00 0.00 0.00 0.00 60.65 60.16 3ham s ILE 16 Cb -0.01 -0.63 -0.03 0.00 0.01 0.00 0.00 42.46 41.80 3ham s ILE 16 CO 0.36 0.26 1.52 -0.75 0.00 0.00 0.00 174.94 176.33 3ham s LYS 17 N 1.24 3.96 0.41 2.79 2.20 -1.25 -3.78 119.74 125.32 3ham s LYS 17 Ca -0.06 1.71 -0.24 0.00 -0.36 0.00 0.00 55.97 57.03 3ham s LYS 17 Cb -0.14 -3.96 -0.09 0.00 -1.51 0.00 0.00 37.83 32.14 3ham s LYS 17 CO -0.02 -1.08 1.08 0.42 -0.36 0.00 0.00 175.35 175.39 3ham s ILE 18 N 4.57 3.57 0.00 5.43 1.01 -1.26 -4.94 121.20 129.58 3ham s ILE 18 Ca 0.67 1.19 0.00 0.00 0.00 0.00 0.00 60.65 62.51 3ham s ILE 18 Cb -0.25 -3.61 0.00 0.00 0.01 0.00 0.00 42.46 38.61 3ham s ILE 18 CO 0.26 0.00 0.00 0.59 0.00 0.00 0.00 174.94 175.79 3ham n ASN 19 N -0.17 2.23 -3.92 3.58 3.02 -1.26 -5.08 115.26 113.66 3ham n ASN 19 Ca 0.06 0.00 -0.19 0.00 -0.03 0.00 0.00 54.58 54.42 3ham n ASN 19 Cb 0.49 0.25 -0.16 0.00 -0.61 0.00 0.00 39.78 39.76 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 -1.38 0.72 -0.26 3.52 2.02 -1.26 -5.00 118.70 117.06 3ham s GLU 20 Ca 0.00 -0.15 -0.01 0.00 0.02 0.00 0.00 54.97 54.82 3ham s GLU 20 Cb 0.00 -0.72 0.13 0.00 0.10 0.00 0.00 34.13 33.64 3ham s GLU 20 CO 0.00 0.00 0.30 -1.17 0.02 0.00 0.00 175.26 174.42 3ham s LEU 21 N 0.52 -0.33 0.17 1.80 1.98 -1.26 -1.12 118.68 120.44 3ham s LEU 21 Ca -0.07 -0.42 0.07 0.00 -2.89 0.00 0.00 54.13 50.82 3ham s LEU 21 Cb -0.10 0.64 -0.04 0.00 0.66 0.00 0.00 46.19 47.34 3ham s LEU 21 CO 0.00 -0.36 -0.15 0.00 -1.89 0.00 0.00 176.35 173.95 3ham s ARG 22 N 2.40 1.21 -0.38 1.98 1.70 -0.85 -5.01 118.95 120.00 3ham s ARG 22 Ca 0.09 -1.42 -0.25 0.00 -0.47 0.00 0.00 55.73 53.69 3ham s ARG 22 Cb -0.14 -1.11 0.01 0.00 -0.57 0.00 0.00 34.95 33.14 3ham s ARG 22 CO -0.25 0.21 0.86 -0.47 -1.08 0.00 0.00 175.30 174.57 3ham s TYR 23 N -2.43 3.07 -0.03 5.89 6.04 -1.26 -1.40 117.35 127.22 3ham s TYR 23 Ca 0.16 0.59 -0.02 0.00 0.04 0.00 0.00 57.07 57.85 3ham s TYR 23 Cb -0.03 -3.59 -0.01 0.00 -1.04 0.00 0.00 41.96 37.28 3ham s TYR 23 CO 0.05 -0.84 0.16 -0.07 -1.54 0.00 0.00 175.55 173.31 3ham h LEU 24 N 10.01 -0.05 -7.25 6.97 3.38 -1.75 -3.47 115.31 123.15 3ham h LEU 24 Ca -0.24 0.00 0.08 0.00 0.09 0.00 0.00 57.88 57.81 3ham h LEU 24 Cb 1.08 0.01 -0.12 0.00 0.09 0.00 0.00 40.66 41.73 3ham h LEU 24 CO 0.96 0.10 0.38 -0.94 0.09 0.00 0.00 178.44 179.03 3ham s SER 25 N -3.66 -0.37 0.00 -0.43 1.04 -1.03 -5.04 113.70 104.21 3ham s SER 25 Ca -0.01 -0.15 0.00 0.00 0.48 0.00 0.00 55.95 56.27 3ham s SER 25 Cb 0.00 0.51 0.00 0.00 0.10 0.00 0.00 66.02 66.63 3ham s SER 25 CO 0.03 -0.86 0.00 -1.20 0.98 0.00 0.00 173.24 172.18 3ham n SER 26 N -0.35 0.00 0.00 7.02 7.64 -1.26 -0.09 113.62 126.57 3ham n SER 26 Ca -0.10 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.78 3ham n SER 26 Cb 0.62 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.82 3ham n SER 26 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3ham n GLY 27 N 3.22 -2.21 0.11 0.23 0.00 -1.24 -4.30 105.19 100.99 3ham n GLY 27 Ca 0.00 -2.11 -0.21 0.00 0.00 0.00 0.00 46.02 43.70 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 0.16 0.15 1.61 3.45 -2.03 -3.42 116.42 116.35 3ham h ASP 28 Ca 0.00 -0.72 -0.23 0.00 0.43 0.00 0.00 57.03 56.51 3ham h ASP 28 Cb 0.00 -0.05 0.02 0.00 -0.56 0.00 0.00 39.33 38.74 3ham h ASP 28 CO 0.00 1.51 -1.05 0.44 -1.57 0.00 0.00 179.24 178.56 3ham h ASP 29 N -0.68 0.50 -4.32 6.45 5.19 -1.99 -3.48 116.42 118.10 3ham h ASP 29 Ca -0.30 -0.93 -0.41 0.00 -0.62 0.00 0.00 57.03 54.77 3ham h ASP 29 Cb 1.48 -0.16 -0.20 0.00 0.18 0.00 0.00 39.33 40.63 3ham h ASP 29 CO -0.07 1.49 -0.77 -0.55 -3.12 0.00 0.00 179.24 176.22 3ham s SER 30 N -7.07 1.81 0.05 6.45 0.15 -1.26 -3.05 113.70 110.77 3ham s SER 30 Ca -0.14 -0.70 -0.10 0.00 0.70 0.00 0.00 55.95 55.71 3ham s SER 30 Cb 0.02 -0.06 -0.06 0.00 -1.71 0.00 0.00 66.02 64.22 3ham s SER 30 CO 0.83 -0.10 0.37 -1.81 1.20 0.00 0.00 173.24 173.73 3ham s ASP 31 N -2.03 6.64 -0.04 5.45 1.01 0.41 -3.71 116.67 124.40 3ham s ASP 31 Ca 0.02 0.77 0.03 0.00 0.71 0.00 0.00 52.55 54.09 3ham s ASP 31 Cb -0.08 -2.17 0.01 0.00 1.01 0.00 0.00 42.92 41.68 3ham s ASP 31 CO 0.02 0.22 -0.11 -0.89 0.21 0.00 0.00 175.17 174.62 3ham s THR 32 N -1.32 1.00 0.04 -1.27 2.01 0.87 -0.89 115.64 116.09 3ham s THR 32 Ca 0.30 -0.45 0.03 0.00 0.31 0.00 0.00 61.69 61.88 3ham s THR 32 Cb -0.14 -0.89 -0.02 0.00 0.01 0.00 0.00 72.50 71.46 3ham s THR 32 CO 0.16 0.31 -0.10 -0.36 -0.69 0.00 0.00 174.62 173.94 3ham s PHE 33 N 0.33 0.90 -0.26 4.92 0.40 -0.70 -2.06 117.98 121.51 3ham s PHE 33 Ca -0.07 -0.40 -0.10 0.00 -0.60 0.00 0.00 56.93 55.76 3ham s PHE 33 Cb -0.11 -0.53 -0.05 0.00 0.51 0.00 0.00 43.02 42.84 3ham s PHE 33 CO 0.02 -0.01 0.15 -1.17 0.70 0.00 0.00 175.22 174.91 3ham s LEU 34 N -1.32 3.93 -0.06 -0.37 0.20 -0.49 -0.19 118.68 120.37 3ham s LEU 34 Ca -0.04 -0.01 -0.03 0.00 0.69 0.00 0.00 54.13 54.75 3ham s LEU 34 Cb -0.08 -2.07 -0.04 0.00 -0.43 0.00 0.00 46.19 43.57 3ham s LEU 34 CO 0.01 -0.00 0.08 0.00 -0.29 0.00 0.00 176.35 176.15 3ham n ASN 36 N 1.70 -3.81 -3.59 0.00 4.13 -0.27 -0.52 115.26 112.90 3ham n ASN 36 Ca -0.17 0.35 -0.26 0.00 1.68 0.00 0.00 54.58 56.18 3ham n ASN 36 Cb 0.54 -3.50 -0.01 0.00 -1.54 0.00 0.00 39.78 35.27 3ham n ASN 36 CO 0.00 0.00 0.00 -0.62 0.28 0.00 0.00 177.26 176.92 3ham n GLU 37 N -1.91 -3.31 0.00 3.52 -0.58 -1.26 -4.72 120.64 112.38 3ham n GLU 37 Ca -0.14 0.43 0.00 0.00 -0.42 0.00 0.00 57.16 57.02 3ham n GLU 37 Cb 0.47 -5.13 0.00 0.00 -0.57 0.00 0.00 31.44 26.21 3ham n GLU 37 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3ham n GLN 38 N -3.87 0.00 -4.01 3.49 10.64 -0.17 -5.04 117.38 118.42 3ham n GLN 38 Ca 0.01 0.00 -0.30 0.00 -1.83 0.00 0.00 57.00 54.89 3ham n GLN 38 Cb 0.52 0.00 -0.16 0.00 -0.86 0.00 0.00 30.24 29.74 3ham n GLN 38 CO 0.00 0.00 0.00 0.71 -1.83 0.00 0.00 177.06 175.94 3ham s TYR 39 N 0.00 2.15 -0.29 2.61 1.51 0.32 -1.67 117.35 121.99 3ham s TYR 39 Ca 0.00 -1.23 -0.22 0.00 -1.01 0.00 0.00 57.07 54.60 3ham s TYR 39 Cb 0.00 -1.58 -0.01 0.00 -0.11 0.00 0.00 41.96 40.27 3ham s TYR 39 CO 0.00 -0.67 0.74 0.08 -1.11 0.00 0.00 175.55 174.59 3ham s VAL 40 N 1.49 4.86 -0.40 0.71 1.01 0.97 0.05 120.40 129.09 3ham s VAL 40 Ca 0.04 1.17 -0.10 0.00 0.00 0.00 0.00 61.98 63.10 3ham s VAL 40 Cb -0.13 -4.07 0.06 0.00 0.00 0.00 0.00 36.38 32.23 3ham s VAL 40 CO -0.10 -0.15 0.23 -0.69 0.00 0.00 0.00 175.10 174.38 3ham s VAL 41 N 2.79 4.33 0.04 2.92 1.01 0.73 -0.87 120.40 131.36 3ham s VAL 41 Ca 0.30 -1.17 -0.13 0.00 0.00 0.00 0.00 61.98 60.98 3ham s VAL 41 Cb -0.15 -3.55 -0.06 0.00 0.00 0.00 0.00 36.38 32.63 3ham s VAL 41 CO 0.11 -0.38 0.42 -0.54 0.00 0.00 0.00 175.10 174.71 3ham s LYS 42 N 1.48 3.87 -0.33 2.72 1.02 0.31 -1.72 119.74 127.09 3ham s LYS 42 Ca 0.02 0.34 -0.01 0.00 0.02 0.00 0.00 55.97 56.34 3ham s LYS 42 Cb -0.21 -3.11 0.13 0.00 -0.52 0.00 0.00 37.83 34.12 3ham s LYS 42 CO 0.04 0.62 0.22 0.08 -0.92 0.00 0.00 175.35 175.39 3ham s VAL 43 N -1.23 -0.04 0.44 3.17 1.01 -0.06 0.64 120.40 124.32 3ham s VAL 43 Ca 0.28 -1.21 -0.22 0.00 0.00 0.00 0.00 61.98 60.83 3ham s VAL 43 Cb -0.16 -1.00 -0.11 0.00 0.00 0.00 0.00 36.38 35.11 3ham s VAL 43 CO 0.16 -0.81 0.68 -2.65 0.00 0.00 0.00 175.10 172.47 3ham n PRO 44 N 4.54 0.76 -0.23 2.72 -0.02 -1.24 -0.44 135.00 141.08 3ham n PRO 44 Ca 0.05 0.28 0.09 0.00 -2.02 0.00 0.00 63.50 61.90 3ham n PRO 44 Cb 0.40 -1.68 0.16 0.00 -0.02 0.00 0.00 33.50 32.36 3ham n PRO 44 CO 0.00 0.00 0.00 0.36 1.98 0.00 0.00 175.50 177.84 3ham n LYS 45 N 0.36 1.34 0.00 -0.52 2.85 -1.17 -4.83 118.16 116.19 3ham n LYS 45 Ca 0.11 -2.75 0.00 0.00 -1.05 0.00 0.00 58.31 54.62 3ham n LYS 45 Cb 0.40 -1.51 0.00 0.00 -0.65 0.00 0.00 35.03 33.27 3ham n LYS 45 CO 0.00 0.00 0.00 2.89 -0.05 0.00 0.00 177.40 180.24 3ham n ARG 46 N -1.32 0.00 -0.22 -1.58 1.85 -1.26 -5.05 116.66 109.07 3ham n ARG 46 Ca 0.17 0.00 0.01 0.00 -1.00 0.00 0.00 57.85 57.02 3ham n ARG 46 Cb 0.66 0.00 0.13 0.00 -1.05 0.00 0.00 32.46 32.19 3ham n ARG 46 CO 0.00 0.00 0.00 -0.44 -0.01 0.00 0.00 177.63 177.18 3ham h ASP 47 N 0.00 0.34 -0.89 2.89 3.32 -1.99 -0.10 116.42 119.98 3ham h ASP 47 Ca 0.00 0.07 0.25 0.00 0.02 0.00 0.00 57.03 57.37 3ham h ASP 47 Cb 0.00 0.02 -0.15 0.00 0.22 0.00 0.00 39.33 39.43 3ham h ASP 47 CO 0.00 0.19 0.22 -1.28 -1.72 0.00 0.00 179.24 176.66 3ham h SER 48 N 0.50 -0.04 0.99 6.45 0.87 -2.01 -1.46 113.55 118.85 3ham h SER 48 Ca 0.33 0.21 -0.21 0.00 -1.23 0.00 0.00 61.79 60.89 3ham h SER 48 Cb 0.39 0.29 -0.03 0.00 -0.44 0.00 0.00 62.40 62.61 3ham h SER 48 CO -0.29 -0.19 -1.02 0.58 -0.53 0.00 0.00 176.83 175.37 3ham h VAL 49 N 0.18 1.61 -0.26 2.23 2.07 -1.39 -3.22 116.25 117.47 3ham h VAL 49 Ca 0.57 -3.31 0.03 0.00 0.82 0.00 0.00 66.70 64.81 3ham h VAL 49 Cb 1.17 2.79 -0.03 0.00 -1.52 0.00 0.00 31.29 33.70 3ham h VAL 49 CO -0.69 0.92 0.06 -0.09 0.02 0.00 0.00 177.57 177.78 3ham h ARG 50 N 0.00 0.15 -0.38 1.57 2.43 -0.60 -1.72 114.38 115.84 3ham h ARG 50 Ca -0.03 -0.01 -0.02 0.00 -0.81 0.00 0.00 59.98 59.11 3ham h ARG 50 Cb 1.76 -0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 31.26 3ham h ARG 50 CO 0.12 0.10 0.16 0.82 -1.51 0.00 0.00 179.97 179.66 3ham h ILE 51 N 0.16 1.19 -0.01 1.20 2.04 -1.41 -1.51 117.51 119.16 3ham h ILE 51 Ca 0.12 -0.56 -0.22 0.00 1.00 0.00 0.00 64.86 65.20 3ham h ILE 51 Cb 0.12 0.85 -0.00 0.00 -0.74 0.00 0.00 36.82 37.05 3ham h ILE 51 CO -0.15 0.20 -0.90 0.77 0.00 0.00 0.00 178.15 178.07 3ham h SER 52 N 0.46 0.49 -0.15 1.72 4.64 -1.56 -2.76 113.55 116.40 3ham h SER 52 Ca 0.13 -0.39 -0.10 0.00 -0.47 0.00 0.00 61.79 60.97 3ham h SER 52 Cb 0.17 -0.15 -0.01 0.00 -0.31 0.00 0.00 62.40 62.09 3ham h SER 52 CO -0.01 1.18 -0.21 -0.61 -0.87 0.00 0.00 176.83 176.31 3ham h GLN 53 N 0.22 0.58 -0.31 4.77 4.15 -1.25 0.75 115.11 124.02 3ham h GLN 53 Ca -0.07 -0.21 0.06 0.00 0.77 0.00 0.00 58.65 59.21 3ham h GLN 53 Cb 1.53 -0.04 -0.06 0.00 0.21 0.00 0.00 27.48 29.12 3ham h GLN 53 CO 0.15 0.75 -0.10 -0.22 -1.93 0.00 0.00 178.83 177.48 3ham h LYS 54 N 0.51 -0.04 -0.29 1.69 3.64 -1.18 0.27 116.57 121.18 3ham h LYS 54 Ca 0.08 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.44 3ham h LYS 54 Cb 0.64 0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.46 3ham h LYS 54 CO 0.05 -0.03 0.09 0.00 -2.27 0.00 0.00 179.45 177.29 3ham h ARG 55 N -0.04 0.44 -0.47 1.90 3.08 -1.12 0.68 114.38 118.86 3ham h ARG 55 Ca 0.15 -0.09 0.09 0.00 0.07 0.00 0.00 59.98 60.20 3ham h ARG 55 Cb 0.27 -0.06 -0.10 0.00 0.08 0.00 0.00 29.97 30.16 3ham h ARG 55 CO -0.34 0.50 -0.29 1.49 -1.07 0.00 0.00 179.97 180.25 3ham h GLU 56 N 0.30 -0.18 -0.45 0.04 4.81 0.96 -0.19 114.58 119.87 3ham h GLU 56 Ca 0.09 0.01 -0.10 0.00 -0.13 0.00 0.00 59.36 59.23 3ham h GLU 56 Cb 0.24 0.04 -0.02 0.00 0.63 0.00 0.00 28.75 29.64 3ham h GLU 56 CO -0.00 -0.12 -0.13 0.74 -0.73 0.00 0.00 179.01 178.76 3ham h PHE 57 N -0.19 0.93 -0.61 0.92 -1.00 -0.23 -2.04 116.94 114.72 3ham h PHE 57 Ca 0.20 -0.18 0.07 0.00 2.81 0.00 0.00 57.97 60.87 3ham h PHE 57 Cb 0.52 -0.23 -0.04 0.00 3.61 0.00 0.00 35.95 39.81 3ham h PHE 57 CO -0.54 0.91 0.40 0.93 -1.61 0.00 0.00 178.31 178.40 3ham h GLU 58 N 0.75 0.54 -0.01 1.51 5.08 -0.31 -0.61 114.58 121.52 3ham h GLU 58 Ca 0.12 -0.03 -0.00 0.00 -1.00 0.00 0.00 59.36 58.44 3ham h GLU 58 Cb 0.64 -0.12 -0.00 0.00 0.50 0.00 0.00 28.75 29.77 3ham h GLU 58 CO 0.04 0.36 -0.00 1.25 -1.00 0.00 0.00 179.01 179.66 3ham h LEU 59 N 0.56 0.02 -1.14 1.33 5.85 -0.38 -1.49 115.31 120.07 3ham h LEU 59 Ca 0.27 -0.31 0.22 0.00 0.84 0.00 0.00 57.88 58.89 3ham h LEU 59 Cb 0.33 -0.01 -0.10 0.00 0.37 0.00 0.00 40.66 41.25 3ham h LEU 59 CO -0.08 0.33 0.62 1.88 -0.34 0.00 0.00 178.44 180.85 3ham h TYR 60 N -0.29 0.91 0.55 1.25 0.99 -0.81 0.14 116.97 119.72 3ham h TYR 60 Ca 0.00 0.03 -0.03 0.00 2.00 0.00 0.00 58.73 60.74 3ham h TYR 60 Cb 0.32 -0.27 0.01 0.00 1.00 0.00 0.00 36.73 37.79 3ham h TYR 60 CO 0.03 0.15 -0.26 0.00 -0.00 0.00 0.00 178.16 178.08 3ham h ARG 61 N 0.61 -0.71 -0.87 4.88 2.47 -0.92 -2.52 114.38 117.32 3ham h ARG 61 Ca 0.58 0.05 0.25 0.00 -1.26 0.00 0.00 59.98 59.60 3ham h ARG 61 Cb 1.13 0.16 -0.04 0.00 -1.65 0.00 0.00 29.97 29.57 3ham h ARG 61 CO -0.36 -0.43 0.62 0.35 0.56 0.00 0.00 179.97 180.71 3ham h PHE 62 N -0.85 0.06 0.00 3.04 3.57 -0.26 -2.90 116.94 119.61 3ham h PHE 62 Ca -0.08 0.00 -0.04 0.00 3.53 0.00 0.00 57.97 61.39 3ham h PHE 62 Cb 0.61 -0.02 -0.01 0.00 2.79 0.00 0.00 35.95 39.33 3ham h PHE 62 CO -0.02 0.01 -0.41 1.25 -2.23 0.00 0.00 178.31 176.92 3ham h LEU 63 N 0.04 0.00 -1.73 0.59 5.85 -0.32 -3.36 115.31 116.38 3ham h LEU 63 Ca 0.42 0.00 -0.04 0.00 0.84 0.00 0.00 57.88 59.10 3ham h LEU 63 Cb 1.61 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.63 3ham h LEU 63 CO -0.03 0.17 -0.17 1.05 -0.34 0.00 0.00 178.44 179.13 3ham h GLU 64 N 0.00 0.00 -1.27 1.25 4.11 -1.32 0.23 114.58 117.58 3ham h GLU 64 Ca -0.01 0.00 -0.68 0.00 0.07 0.00 0.00 59.36 58.74 3ham h GLU 64 Cb 1.14 0.00 -0.28 0.00 0.50 0.00 0.00 28.75 30.12 3ham h GLU 64 CO 0.02 0.17 0.89 0.27 0.07 0.00 0.00 179.01 180.44 3ham n ASN 65 N -3.83 7.60 -0.38 3.06 6.94 -1.26 -4.37 115.26 123.03 3ham n ASN 65 Ca -0.02 -3.76 0.05 0.00 -0.02 0.00 0.00 54.58 50.83 3ham n ASN 65 Cb 0.27 -1.01 0.04 0.00 -2.36 0.00 0.00 39.78 36.73 3ham n ASN 65 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 3ham n LYS 67 N 0.51 -1.32 -3.82 0.00 4.76 -1.26 -4.96 118.16 112.07 3ham n LYS 67 Ca 0.06 0.83 -0.26 0.00 -2.87 0.00 0.00 58.31 56.07 3ham n LYS 67 Cb 0.24 -3.53 -0.03 0.00 -1.84 0.00 0.00 35.03 29.87 3ham n LYS 67 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 3ham s LEU 68 N -5.23 4.28 0.00 -0.35 1.43 -1.26 -5.00 118.68 112.55 3ham s LEU 68 Ca 0.14 0.26 0.16 0.00 -1.03 0.00 0.00 54.13 53.66 3ham s LEU 68 Cb -0.06 -3.02 0.88 0.00 0.03 0.00 0.00 46.19 44.02 3ham s LEU 68 CO 0.86 -0.02 1.45 -1.20 0.23 0.00 0.00 176.35 177.67 3ham n SER 69 N -0.78 0.00 -4.01 2.29 7.64 -1.26 -4.78 113.62 112.72 3ham n SER 69 Ca -0.06 -0.13 -0.08 0.00 1.01 0.00 0.00 58.87 59.60 3ham n SER 69 Cb 0.54 -0.19 -0.10 0.00 -1.01 0.00 0.00 64.21 63.45 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 -2.39 0.35 0.33 1.43 1.51 -1.26 -5.09 117.35 112.23 3ham s TYR 70 Ca 0.19 -0.74 -0.27 0.00 -1.01 0.00 0.00 57.07 55.24 3ham s TYR 70 Cb 0.11 -0.26 -0.09 0.00 -0.11 0.00 0.00 41.96 41.61 3ham s TYR 70 CO 0.23 -0.31 1.08 -0.65 -1.11 0.00 0.00 175.55 174.79 3ham s GLN 71 N -2.72 4.44 0.20 -0.62 -0.21 -0.47 -4.92 119.66 115.36 3ham s GLN 71 Ca -0.04 1.68 0.07 0.00 0.02 0.00 0.00 55.36 57.09 3ham s GLN 71 Cb -0.01 -2.92 -0.05 0.00 1.00 0.00 0.00 33.01 31.03 3ham s GLN 71 CO -0.05 0.07 -0.14 0.96 -2.12 0.00 0.00 175.29 174.01 3ham s ILE 72 N -1.36 1.69 -0.30 1.08 -5.25 -1.26 -1.85 121.20 113.95 3ham s ILE 72 Ca 0.50 -2.20 -0.42 0.00 -0.99 0.00 0.00 60.65 57.54 3ham s ILE 72 Cb -0.28 -2.03 -0.18 0.00 2.95 0.00 0.00 42.46 42.92 3ham s ILE 72 CO 0.35 -0.61 1.59 -2.65 -1.79 0.00 0.00 174.94 171.84 3ham n PRO 73 N -0.37 0.63 -3.40 0.37 -0.02 -1.26 -4.95 135.00 126.00 3ham n PRO 73 Ca -0.08 0.23 -0.39 0.00 -2.02 0.00 0.00 63.50 61.24 3ham n PRO 73 Cb 0.60 -1.82 -0.08 0.00 -0.02 0.00 0.00 33.50 32.17 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 2.74 3.57 0.07 3.55 0.00 -1.26 -4.87 121.76 125.56 3ham s ALA 74 Ca 0.99 -0.71 -0.30 0.00 0.00 0.00 0.00 51.96 51.94 3ham s ALA 74 Cb -1.24 -2.67 -0.05 0.00 0.00 0.00 0.00 23.12 19.17 3ham s ALA 74 CO 0.69 -0.50 1.00 0.08 0.00 0.00 0.00 175.76 177.03 3ham s VAL 75 N 1.74 4.53 -0.10 0.00 1.01 -1.26 -1.02 120.40 125.31 3ham s VAL 75 Ca 0.16 1.97 0.03 0.00 0.00 0.00 0.00 61.98 64.14 3ham s VAL 75 Cb -0.15 -4.26 -0.08 0.00 0.00 0.00 0.00 36.38 31.89 3ham s VAL 75 CO 0.09 0.24 -0.04 1.33 0.00 0.00 0.00 175.10 176.71 3ham n VAL 76 N 3.27 0.59 -3.66 2.92 0.24 -0.48 -4.90 118.33 116.30 3ham n VAL 76 Ca 0.04 -0.28 -0.09 0.00 -2.04 0.00 0.00 64.34 61.97 3ham n VAL 76 Cb 0.49 -0.84 -0.10 0.00 -1.47 0.00 0.00 33.84 31.93 3ham n VAL 76 CO 0.00 0.00 0.00 -0.47 -2.14 0.00 0.00 176.83 174.22 3ham s TYR 77 N -2.21 -0.74 -0.19 6.34 5.04 -1.06 -4.97 117.35 119.57 3ham s TYR 77 Ca -0.10 1.44 -0.05 0.00 -2.44 0.00 0.00 57.07 55.92 3ham s TYR 77 Cb 0.03 0.26 -0.03 0.00 0.35 0.00 0.00 41.96 42.58 3ham s TYR 77 CO 0.28 -0.45 -0.00 -0.65 -1.34 0.00 0.00 175.55 173.39 3ham s GLN 78 N 2.46 3.67 0.18 4.97 -0.21 -1.26 -1.02 119.66 128.45 3ham s GLN 78 Ca -0.02 -0.50 -0.21 0.00 0.02 0.00 0.00 55.36 54.65 3ham s GLN 78 Cb -0.12 -3.05 0.05 0.00 1.00 0.00 0.00 33.01 30.89 3ham s GLN 78 CO -0.12 0.10 0.58 -1.54 -2.12 0.00 0.00 175.29 172.19 3ham s SER 79 N 0.76 -0.42 0.08 5.90 1.04 -1.20 -5.06 113.70 114.80 3ham s SER 79 Ca 0.00 -0.23 -0.31 0.00 0.48 0.00 0.00 55.95 55.89 3ham s SER 79 Cb -0.14 0.60 -0.15 0.00 0.10 0.00 0.00 66.02 66.43 3ham s SER 79 CO 0.02 -1.03 1.49 0.44 0.98 0.00 0.00 173.24 175.14 3ham h ASP 80 N 2.08 -1.25 0.14 7.02 3.32 -1.98 -3.28 116.42 122.46 3ham h ASP 80 Ca -0.31 0.10 0.02 0.00 0.02 0.00 0.00 57.03 56.87 3ham h ASP 80 Cb 1.28 0.42 -0.03 0.00 0.22 0.00 0.00 39.33 41.22 3ham h ASP 80 CO 0.37 -0.58 -0.27 0.03 -1.72 0.00 0.00 179.24 177.06 3ham h ARG 81 N -0.87 -0.48 -4.46 3.56 3.08 -1.96 -3.46 114.38 109.80 3ham h ARG 81 Ca -0.05 0.03 -0.18 0.00 0.07 0.00 0.00 59.98 59.85 3ham h ARG 81 Cb 0.76 0.11 -0.15 0.00 0.08 0.00 0.00 29.97 30.77 3ham h ARG 81 CO -0.08 -0.32 -0.69 -0.59 -1.07 0.00 0.00 179.97 177.22 3ham s PHE 82 N -6.05 0.71 0.03 3.04 -0.12 -1.24 -3.72 117.98 110.64 3ham s PHE 82 Ca -0.16 -0.94 0.03 0.00 -0.05 0.00 0.00 56.93 55.81 3ham s PHE 82 Cb 0.08 -0.45 -0.02 0.00 -0.63 0.00 0.00 43.02 42.00 3ham s PHE 82 CO 0.65 -0.24 -0.09 -0.80 -0.05 0.00 0.00 175.22 174.69 3ham s ASN 83 N -2.85 1.06 -0.02 1.98 0.01 0.21 -3.21 114.94 112.11 3ham s ASN 83 Ca 0.08 -0.44 0.06 0.00 -0.71 0.00 0.00 52.86 51.85 3ham s ASN 83 Cb 0.05 -0.03 -0.01 0.00 0.41 0.00 0.00 41.25 41.67 3ham s ASN 83 CO -0.06 -0.08 -0.21 -0.63 -1.51 0.00 0.00 177.10 174.61 3ham s ILE 84 N -0.98 1.67 0.12 0.60 1.01 -0.19 0.11 121.20 123.56 3ham s ILE 84 Ca -0.04 -0.90 0.03 0.00 0.00 0.00 0.00 60.65 59.74 3ham s ILE 84 Cb -0.08 -1.40 -0.04 0.00 0.01 0.00 0.00 42.46 40.95 3ham s ILE 84 CO 0.01 0.47 -0.08 0.00 0.00 0.00 0.00 174.94 175.34 3ham s MET 85 N -0.42 0.93 0.15 2.79 0.23 -0.05 -1.38 119.30 121.56 3ham s MET 85 Ca 0.06 -1.39 -0.30 0.00 -1.03 0.00 0.00 55.69 53.03 3ham s MET 85 Cb -0.09 -0.38 -0.07 0.00 -1.53 0.00 0.00 34.83 32.75 3ham s MET 85 CO -0.00 0.02 1.16 0.15 -2.03 0.00 0.00 175.02 174.32 3ham s LYS 86 N -3.80 4.52 -0.24 3.16 1.02 -0.19 -0.02 119.74 124.18 3ham s LYS 86 Ca 0.14 1.79 -0.29 0.00 0.02 0.00 0.00 55.97 57.63 3ham s LYS 86 Cb 0.04 -3.28 -0.03 0.00 -0.52 0.00 0.00 37.83 34.04 3ham s LYS 86 CO -0.02 -0.07 1.67 -0.47 -0.92 0.00 0.00 175.35 175.54 3ham s TYR 87 N 0.15 2.00 -0.38 3.18 5.04 -0.67 -4.59 117.35 122.07 3ham s TYR 87 Ca 0.53 0.53 -0.23 0.00 -2.44 0.00 0.00 57.07 55.47 3ham s TYR 87 Cb -0.31 -4.03 0.01 0.00 0.35 0.00 0.00 41.96 37.98 3ham s TYR 87 CO 0.34 -3.02 0.75 0.42 -1.34 0.00 0.00 175.55 172.70 3ham s ILE 88 N 5.62 4.75 -0.18 3.14 1.01 -1.26 -4.97 121.20 129.31 3ham s ILE 88 Ca 0.74 0.73 -0.08 0.00 0.00 0.00 0.00 60.65 62.04 3ham s ILE 88 Cb -0.25 -4.20 -0.04 0.00 0.01 0.00 0.00 42.46 37.98 3ham s ILE 88 CO 0.31 -0.47 0.07 -0.75 0.00 0.00 0.00 174.94 174.10 3ham s LYS 89 N 3.05 3.99 0.00 2.79 2.36 -1.26 -5.02 119.74 125.66 3ham s LYS 89 Ca 0.30 -0.32 0.00 0.00 -2.55 0.00 0.00 55.97 53.39 3ham s LYS 89 Cb -0.13 -3.24 0.00 0.00 -1.05 0.00 0.00 37.83 33.41 3ham s LYS 89 CO 0.18 0.30 0.00 0.41 1.55 0.00 0.00 175.35 177.78 3ham n GLY 90 N 3.48 1.77 3.21 5.54 0.00 -1.26 -4.97 105.19 112.95 3ham n GLY 90 Ca -0.17 -0.46 -0.17 0.00 0.00 0.00 0.00 46.02 45.23 3ham n GLY 90 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3ham s GLU 91 N 1.61 0.93 0.34 1.61 0.41 0.08 -4.91 118.70 118.77 3ham s GLU 91 Ca 0.00 -1.17 0.02 0.00 -0.41 0.00 0.00 54.97 53.42 3ham s GLU 91 Cb 0.00 -0.77 -0.02 0.00 -1.78 0.00 0.00 34.13 31.56 3ham s GLU 91 CO 0.00 0.14 0.52 1.03 -0.49 0.00 0.00 175.26 176.46 3ham s ARG 92 N -2.56 3.33 -0.25 1.61 3.00 -1.26 -0.70 118.95 122.12 3ham s ARG 92 Ca 0.06 -0.57 -0.00 0.00 0.00 0.00 0.00 55.73 55.22 3ham s ARG 92 Cb -0.05 -2.72 0.07 0.00 0.00 0.00 0.00 34.95 32.25 3ham s ARG 92 CO 0.02 0.11 0.01 0.42 0.00 0.00 0.00 175.30 175.86 3ham s ILE 93 N -2.27 1.22 0.74 1.52 1.01 -1.26 -4.95 121.20 117.21 3ham s ILE 93 Ca 0.41 -1.21 -0.11 0.00 0.00 0.00 0.00 60.65 59.74 3ham s ILE 93 Cb -0.10 -1.68 0.05 0.00 0.01 0.00 0.00 42.46 40.75 3ham s ILE 93 CO 0.34 -0.30 1.10 0.42 0.00 0.00 0.00 174.94 176.50 3ham s THR 94 N 1.50 2.75 0.23 2.92 -4.23 -1.26 -4.88 115.64 112.67 3ham s THR 94 Ca 0.00 0.14 -0.12 0.00 -1.18 0.00 0.00 61.69 60.53 3ham s THR 94 Cb -0.18 -3.22 0.30 0.00 1.34 0.00 0.00 72.50 70.74 3ham s THR 94 CO -0.11 -0.28 1.60 0.22 -0.54 0.00 0.00 174.62 175.51 3ham h TYR 95 N -0.76 -0.44 -0.33 3.99 5.03 -1.78 -2.16 116.97 120.51 3ham h TYR 95 Ca -0.45 0.07 -0.00 0.00 2.58 0.00 0.00 58.73 60.92 3ham h TYR 95 Cb 1.29 0.31 -0.02 0.00 1.55 0.00 0.00 36.73 39.87 3ham h TYR 95 CO 0.40 -0.33 0.20 0.93 -1.32 0.00 0.00 178.16 178.04 3ham h GLU 96 N -0.01 0.45 -0.94 1.82 3.07 -1.90 -2.54 114.58 114.53 3ham h GLU 96 Ca 0.36 -0.04 0.01 0.00 -0.50 0.00 0.00 59.36 59.19 3ham h GLU 96 Cb 0.55 -0.10 -0.05 0.00 -0.84 0.00 0.00 28.75 28.32 3ham h GLU 96 CO -0.78 0.33 0.62 1.96 -1.40 0.00 0.00 179.01 179.74 3ham h GLN 97 N 0.43 1.22 0.10 2.33 4.20 -1.81 -2.97 115.11 118.61 3ham h GLN 97 Ca 0.12 -0.07 0.01 0.00 0.06 0.00 0.00 58.65 58.77 3ham h GLN 97 Cb -0.00 -0.28 -0.02 0.00 0.30 0.00 0.00 27.48 27.48 3ham h GLN 97 CO -0.02 0.81 -0.17 -0.92 -0.67 0.00 0.00 178.83 177.86 3ham h TYR 98 N 1.26 -0.44 0.00 2.96 5.03 -0.98 -2.81 116.97 121.99 3ham h TYR 98 Ca 0.35 0.01 0.00 0.00 2.58 0.00 0.00 58.73 61.66 3ham h TYR 98 Cb -0.13 0.18 0.00 0.00 1.55 0.00 0.00 36.73 38.33 3ham h TYR 98 CO -0.00 -0.25 0.00 0.72 -1.32 0.00 0.00 178.16 177.31 3ham n HIS 99 N -5.30 0.00 0.11 -3.82 8.25 -1.12 -1.05 115.22 112.30 3ham n HIS 99 Ca -0.07 0.00 0.10 0.00 -0.26 0.00 0.00 57.72 57.50 3ham n HIS 99 Cb 0.21 -0.23 0.27 0.00 1.12 0.00 0.00 29.99 31.37 3ham n HIS 99 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 3ham n LYS 100 N -1.23 2.43 0.05 -0.41 5.02 -1.06 -4.74 118.16 118.23 3ham n LYS 100 Ca 0.08 -2.21 -0.12 0.00 -2.02 0.00 0.00 58.31 54.04 3ham n LYS 100 Cb 0.10 -1.49 -0.13 0.00 -0.02 0.00 0.00 35.03 33.49 3ham n LYS 100 CO 0.00 0.00 0.00 -0.07 -0.52 0.00 0.00 177.40 176.81 3ham h LEU 101 N 3.74 0.20 -0.14 -0.35 3.38 -1.17 -3.51 115.31 117.46 3ham h LEU 101 Ca 0.00 -0.27 0.00 0.00 0.09 0.00 0.00 57.88 57.70 3ham h LEU 101 Cb 0.85 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.53 3ham h LEU 101 CO 0.00 1.22 0.00 -1.54 0.09 0.00 0.00 178.44 178.21 3ham n SER 102 N -3.36 -1.00 -0.32 -0.43 3.41 -1.26 -4.47 113.62 106.19 3ham n SER 102 Ca -0.10 0.00 -0.06 0.00 -0.26 0.00 0.00 58.87 58.45 3ham n SER 102 Cb 1.01 0.21 -0.04 0.00 -0.26 0.00 0.00 64.21 65.13 3ham n SER 102 CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 175.04 176.09 3ham n GLU 103 N 1.32 -0.29 -0.13 4.33 4.07 -1.26 0.05 120.64 128.73 3ham n GLU 103 Ca 0.00 1.20 -0.08 0.00 -0.06 0.00 0.00 57.16 58.22 3ham n GLU 103 Cb 0.00 -1.78 -0.02 0.00 -0.06 0.00 0.00 31.44 29.58 3ham n GLU 103 CO 0.00 0.00 0.00 0.87 -0.06 0.00 0.00 177.13 177.94 3ham h LYS 104 N 0.00 -0.26 0.00 5.31 1.57 -2.00 0.20 116.57 121.39 3ham h LYS 104 Ca 0.18 0.02 -0.03 0.00 -1.87 0.00 0.00 60.65 58.95 3ham h LYS 104 Cb 0.38 0.06 -0.00 0.00 0.08 0.00 0.00 32.23 32.74 3ham h LYS 104 CO -0.76 -0.17 -0.14 0.93 -0.57 0.00 0.00 179.45 178.73 3ham h GLU 105 N -0.27 0.00 -0.10 3.15 5.08 -0.61 -2.25 114.58 119.58 3ham h GLU 105 Ca 0.17 0.00 -0.24 0.00 -1.00 0.00 0.00 59.36 58.29 3ham h GLU 105 Cb 0.56 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.82 3ham h GLU 105 CO -0.57 0.14 -0.86 0.87 -1.00 0.00 0.00 179.01 177.59 3ham h LYS 106 N 0.00 0.75 -0.35 2.33 1.57 0.10 -3.02 116.57 117.96 3ham h LYS 106 Ca -0.00 -0.67 -0.09 0.00 -1.87 0.00 0.00 60.65 58.02 3ham h LYS 106 Cb 0.27 0.16 -0.02 0.00 0.08 0.00 0.00 32.23 32.72 3ham h LYS 106 CO 0.02 1.27 -0.14 -0.44 -0.57 0.00 0.00 179.45 179.59 3ham h ASP 107 N 0.49 0.60 -0.38 0.86 3.45 -0.71 -2.68 116.42 118.06 3ham h ASP 107 Ca -0.08 -0.18 0.05 0.00 0.43 0.00 0.00 57.03 57.25 3ham h ASP 107 Cb 1.50 -0.16 -0.04 0.00 -0.56 0.00 0.00 39.33 40.06 3ham h ASP 107 CO 0.17 0.77 0.13 0.00 -1.57 0.00 0.00 179.24 178.74 3ham h ALA 108 N 1.29 0.44 -0.86 3.45 0.00 -1.38 -0.76 119.26 121.44 3ham h ALA 108 Ca 0.10 0.05 -0.03 0.00 0.00 0.00 0.00 54.91 55.03 3ham h ALA 108 Cb 0.57 0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.35 3ham h ALA 108 CO 0.04 -0.27 0.44 -0.07 0.00 0.00 0.00 179.25 179.38 3ham h LEU 109 N 0.28 1.11 -0.58 0.00 3.38 -1.40 -2.07 115.31 116.03 3ham h LEU 109 Ca 0.17 -0.12 -0.15 0.00 0.09 0.00 0.00 57.88 57.87 3ham h LEU 109 Cb 0.16 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.62 3ham h LEU 109 CO -0.18 0.91 -0.51 0.00 0.09 0.00 0.00 178.44 178.75 3ham h ALA 110 N 1.26 0.76 -0.35 1.53 0.00 -1.05 -1.27 119.26 120.13 3ham h ALA 110 Ca 0.30 -0.49 -0.06 0.00 0.00 0.00 0.00 54.91 54.66 3ham h ALA 110 Cb 0.08 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 3ham h ALA 110 CO -0.04 0.68 -0.02 -0.92 0.00 0.00 0.00 179.25 178.94 3ham h TYR 111 N 0.42 0.59 -0.38 0.00 3.20 -1.07 -2.28 116.97 117.45 3ham h TYR 111 Ca 0.02 -0.07 -0.01 0.00 3.14 0.00 0.00 58.73 61.81 3ham h TYR 111 Cb 1.03 -0.17 -0.02 0.00 1.54 0.00 0.00 36.73 39.12 3ham h TYR 111 CO 0.04 0.59 0.19 -0.44 -1.64 0.00 0.00 178.16 176.90 3ham h ASP 112 N 0.54 0.49 -0.17 -2.11 3.32 -0.51 -0.93 116.42 117.04 3ham h ASP 112 Ca 0.11 -0.11 -0.19 0.00 0.02 0.00 0.00 57.03 56.86 3ham h ASP 112 Cb 0.38 -0.13 0.00 0.00 0.22 0.00 0.00 39.33 39.80 3ham h ASP 112 CO 0.01 0.46 -0.60 -0.33 -1.72 0.00 0.00 179.24 177.06 3ham h GLU 113 N 0.48 0.78 -0.45 3.56 5.08 -1.39 -1.86 114.58 120.79 3ham h GLU 113 Ca 0.13 -0.53 -0.06 0.00 -1.00 0.00 0.00 59.36 57.91 3ham h GLU 113 Cb 0.09 0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.40 3ham h GLU 113 CO -0.02 1.15 0.06 0.00 -1.00 0.00 0.00 179.01 179.21 3ham h ALA 114 N 0.73 0.59 -0.54 3.43 0.00 -1.37 0.13 119.26 122.23 3ham h ALA 114 Ca -0.00 -0.23 0.04 0.00 0.00 0.00 0.00 54.91 54.71 3ham h ALA 114 Cb 1.20 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 18.79 3ham h ALA 114 CO 0.13 0.33 0.30 1.15 0.00 0.00 0.00 179.25 181.15 3ham h THR 115 N 0.60 1.01 -0.30 0.00 2.02 -1.11 0.13 112.91 115.26 3ham h THR 115 Ca 0.13 -0.20 -0.08 0.00 0.77 0.00 0.00 66.41 67.03 3ham h THR 115 Cb 0.40 0.37 -0.01 0.00 -1.74 0.00 0.00 68.15 67.17 3ham h THR 115 CO 0.01 0.11 -0.12 0.15 0.37 0.00 0.00 175.52 176.04 3ham h PHE 116 N 0.58 0.70 -0.16 3.16 3.57 -0.90 -2.91 116.94 120.99 3ham h PHE 116 Ca 0.23 -0.17 -0.00 0.00 3.53 0.00 0.00 57.97 61.56 3ham h PHE 116 Cb 0.08 -0.17 -0.01 0.00 2.79 0.00 0.00 35.95 38.65 3ham h PHE 116 CO -0.08 0.83 0.09 -0.07 -2.23 0.00 0.00 178.31 176.85 3ham h LEU 117 N 0.37 0.19 -2.03 0.59 3.38 -0.58 -0.83 115.31 116.40 3ham h LEU 117 Ca 0.07 -0.05 -0.01 0.00 0.09 0.00 0.00 57.88 57.99 3ham h LEU 117 Cb 0.63 -0.05 -0.00 0.00 0.09 0.00 0.00 40.66 41.33 3ham h LEU 117 CO 0.04 0.18 -0.03 0.50 0.09 0.00 0.00 178.44 179.23 3ham h LYS 118 N 0.18 0.00 0.05 1.13 1.63 -0.98 0.30 116.57 118.88 3ham h LYS 118 Ca 0.06 0.00 -0.26 0.00 -0.85 0.00 0.00 60.65 59.60 3ham h LYS 118 Cb 0.03 0.00 -0.02 0.00 -0.60 0.00 0.00 32.23 31.64 3ham h LYS 118 CO -0.01 0.03 -1.29 0.93 -3.45 0.00 0.00 179.45 175.66 3ham h GLU 119 N 0.00 0.10 -0.37 1.90 5.08 -1.29 -2.94 114.58 117.07 3ham h GLU 119 Ca -0.00 -0.18 -0.13 0.00 -1.00 0.00 0.00 59.36 58.05 3ham h GLU 119 Cb 0.05 0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.36 3ham h GLU 119 CO 0.00 0.98 -0.27 1.25 -1.00 0.00 0.00 179.01 179.97 3ham h LEU 120 N 0.03 0.87 0.00 1.33 5.85 0.40 -2.97 115.31 120.82 3ham h LEU 120 Ca -0.13 -0.44 0.00 0.00 0.84 0.00 0.00 57.88 58.15 3ham h LEU 120 Cb 1.90 -0.24 0.00 0.00 0.37 0.00 0.00 40.66 42.69 3ham h LEU 120 CO 0.14 1.13 0.00 1.41 -0.34 0.00 0.00 178.44 180.78 3ham n HIS 121 N -4.19 0.00 0.65 1.25 8.25 0.88 -3.14 115.22 118.92 3ham n HIS 121 Ca -0.02 0.00 0.10 0.00 -0.26 0.00 0.00 57.72 57.53 3ham n HIS 121 Cb 0.47 -0.16 -0.13 0.00 1.12 0.00 0.00 29.99 31.29 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 -1.16 0.74 -4.71 0.41 7.64 -1.11 -4.81 113.62 110.61 3ham n SER 122 Ca 0.16 -0.67 -0.42 0.00 1.01 0.00 0.00 58.87 58.95 3ham n SER 122 Cb 0.16 1.29 -0.03 0.00 -1.01 0.00 0.00 64.21 64.62 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 -3.05 2.38 -0.25 0.44 1.01 -1.19 -4.93 121.20 115.62 3ham s ILE 123 Ca 0.03 0.22 -0.29 0.00 0.00 0.00 0.00 60.65 60.61 3ham s ILE 123 Cb 0.14 -3.14 0.00 0.00 0.01 0.00 0.00 42.46 39.48 3ham s ILE 123 CO 0.83 0.01 1.17 -0.70 0.00 0.00 0.00 174.94 176.25 3ham s GLU 124 N 1.45 4.13 -0.33 2.79 2.12 -1.26 -4.70 118.70 122.89 3ham s GLU 124 Ca 0.74 1.35 -0.19 0.00 0.36 0.00 0.00 54.97 57.23 3ham s GLU 124 Cb -0.46 -3.75 -0.01 0.00 0.26 0.00 0.00 34.13 30.17 3ham s GLU 124 CO 0.32 -0.82 0.54 0.42 -0.54 0.00 0.00 175.26 175.18 3ham s ILE 125 N 3.64 5.00 0.34 -3.70 1.09 -1.26 -4.95 121.20 121.37 3ham s ILE 125 Ca 0.50 0.50 0.05 0.00 -1.10 0.00 0.00 60.65 60.60 3ham s ILE 125 Cb -0.16 -3.96 0.30 0.00 -1.06 0.00 0.00 42.46 37.57 3ham s ILE 125 CO 0.14 -0.18 1.93 -0.78 -0.10 0.00 0.00 174.94 175.95 3ham h ASP 126 N 8.38 0.72 0.00 3.58 1.82 -1.98 -3.46 116.42 125.49 3ham h ASP 126 Ca -0.28 0.01 0.00 0.00 -0.39 0.00 0.00 57.03 56.37 3ham h ASP 126 Cb 1.12 -0.14 0.00 0.00 0.68 0.00 0.00 39.33 40.99 3ham h ASP 126 CO 0.77 0.45 0.00 0.00 -1.61 0.00 0.00 179.24 178.86 3ham n SER 128 N 0.00 4.50 -4.55 0.00 3.41 -1.26 -4.15 113.62 111.57 3ham n SER 128 Ca 0.00 -2.47 -0.33 0.00 -0.26 0.00 0.00 58.87 55.81 3ham n SER 128 Cb 0.00 -0.57 -0.12 0.00 -0.26 0.00 0.00 64.21 63.26 3ham n SER 128 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 3ham s VAL 129 N -1.95 3.43 0.31 -3.33 1.01 -1.26 -5.02 120.40 113.59 3ham s VAL 129 Ca 0.47 -0.70 0.08 0.00 0.00 0.00 0.00 61.98 61.83 3ham s VAL 129 Cb 0.31 -2.42 0.31 0.00 0.00 0.00 0.00 36.38 34.59 3ham s VAL 129 CO 0.21 0.51 1.68 0.77 0.00 0.00 0.00 175.10 178.28 3ham h SER 130 N 5.00 0.41 -0.65 3.32 4.64 -2.00 -0.79 113.55 123.47 3ham h SER 130 Ca -0.48 0.17 0.03 0.00 -0.47 0.00 0.00 61.79 61.04 3ham h SER 130 Cb 1.16 0.14 -0.04 0.00 -0.31 0.00 0.00 62.40 63.35 3ham h SER 130 CO 0.52 -0.05 0.40 0.25 -0.87 0.00 0.00 176.83 177.08 3ham h LEU 131 N 0.38 0.64 0.00 5.97 6.46 -1.97 -3.31 115.31 123.48 3ham h LEU 131 Ca 0.64 0.00 -0.30 0.00 -0.12 0.00 0.00 57.88 58.10 3ham h LEU 131 Cb 1.31 -0.13 -0.05 0.00 -0.73 0.00 0.00 40.66 41.05 3ham h LEU 131 CO -0.56 0.44 -1.81 0.49 -0.62 0.00 0.00 178.44 176.38 3ham n PHE 132 N -4.71 0.84 0.13 1.25 3.01 -0.36 -4.02 117.46 113.59 3ham n PHE 132 Ca 0.07 0.30 -0.02 0.00 1.01 0.00 0.00 57.45 58.81 3ham n PHE 132 Cb 0.09 -1.15 0.16 0.00 -0.01 0.00 0.00 39.48 38.57 3ham n PHE 132 CO 0.00 0.00 0.00 0.66 1.01 0.00 0.00 176.76 178.43 3ham h SER 133 N 0.00 0.06 1.10 4.37 4.64 -1.48 -2.38 113.55 119.85 3ham h SER 133 Ca -0.32 -0.03 -0.09 0.00 -0.47 0.00 0.00 61.79 60.87 3ham h SER 133 Cb 2.04 -0.02 -0.01 0.00 -0.31 0.00 0.00 62.40 64.10 3ham h SER 133 CO 0.07 0.66 -0.45 0.44 -0.87 0.00 0.00 176.83 176.68 3ham h ASP 134 N 0.04 0.00 0.73 4.97 3.45 -1.76 -3.16 116.42 120.69 3ham h ASP 134 Ca -0.01 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.45 3ham h ASP 134 Cb 1.10 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.87 3ham h ASP 134 CO 0.08 0.45 -0.07 0.00 -1.57 0.00 0.00 179.24 178.13 3ham n ALA 135 N -2.27 2.58 -2.14 3.45 0.00 -0.93 -4.61 120.51 116.59 3ham n ALA 135 Ca 0.01 -0.17 -0.29 0.00 0.00 0.00 0.00 53.44 52.99 3ham n ALA 135 Cb 0.62 -1.41 -0.05 0.00 0.00 0.00 0.00 19.45 18.60 3ham n ALA 135 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 3ham s LEU 136 N -2.81 3.23 -0.05 0.00 1.98 -1.03 -0.08 118.68 119.92 3ham s LEU 136 Ca 0.20 -0.81 -0.30 0.00 -2.89 0.00 0.00 54.13 50.33 3ham s LEU 136 Cb 0.19 -2.56 -0.02 0.00 0.66 0.00 0.00 46.19 44.46 3ham s LEU 136 CO 0.52 -2.51 0.99 -0.69 -1.89 0.00 0.00 176.35 172.77 3ham s VAL 137 N 9.13 4.83 -0.37 1.68 1.01 -1.18 -5.01 120.40 130.49 3ham s VAL 137 Ca 0.66 2.04 -0.20 0.00 0.00 0.00 0.00 61.98 64.47 3ham s VAL 137 Cb -0.06 -4.31 0.01 0.00 0.00 0.00 0.00 36.38 32.02 3ham s VAL 137 CO -0.02 0.08 0.63 0.21 0.00 0.00 0.00 175.10 176.00 3ham s ASN 138 N 1.05 6.39 0.14 3.32 2.47 -1.26 -4.93 114.94 122.13 3ham s ASN 138 Ca 0.50 0.03 -0.14 0.00 0.42 0.00 0.00 52.86 53.67 3ham s ASN 138 Cb -0.20 -2.32 0.02 0.00 -1.45 0.00 0.00 41.25 37.30 3ham s ASN 138 CO 0.23 -0.62 1.65 0.50 -3.72 0.00 0.00 177.10 175.13 3ham h LYS 139 N 8.55 0.76 -0.65 0.43 3.64 -1.96 0.46 116.57 127.80 3ham h LYS 139 Ca -0.26 -0.18 -0.01 0.00 -1.27 0.00 0.00 60.65 58.93 3ham h LYS 139 Cb 1.11 -0.10 -0.03 0.00 -0.41 0.00 0.00 32.23 32.80 3ham h LYS 139 CO 0.84 0.74 0.38 -0.22 -2.27 0.00 0.00 179.45 178.92 3ham h LYS 140 N 0.64 0.90 -0.14 1.90 3.64 -1.97 0.43 116.57 121.96 3ham h LYS 140 Ca 0.15 -0.09 0.01 0.00 -1.27 0.00 0.00 60.65 59.44 3ham h LYS 140 Cb 0.32 -0.18 -0.01 0.00 -0.41 0.00 0.00 32.23 31.95 3ham h LYS 140 CO 0.00 0.66 0.07 0.22 -2.27 0.00 0.00 179.45 178.13 3ham h ASP 141 N 0.89 0.12 -0.13 4.20 1.82 -1.91 -1.85 116.42 119.56 3ham h ASP 141 Ca 0.23 0.00 0.03 0.00 -0.39 0.00 0.00 57.03 56.90 3ham h ASP 141 Cb 0.00 -0.02 -0.03 0.00 0.68 0.00 0.00 39.33 39.96 3ham h ASP 141 CO -0.04 0.09 -0.04 0.50 -1.61 0.00 0.00 179.24 178.14 3ham h LYS 142 N 0.16 -0.02 0.00 0.28 3.64 -0.47 0.65 116.57 120.82 3ham h LYS 142 Ca 0.05 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.43 3ham h LYS 142 Cb 0.00 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 31.82 3ham h LYS 142 CO -0.03 -0.01 -0.02 0.74 -2.27 0.00 0.00 179.45 177.86 3ham h PHE 143 N -0.02 0.00 0.00 1.91 0.05 -0.87 0.48 116.94 118.49 3ham h PHE 143 Ca 0.06 0.00 -0.09 0.00 3.82 0.00 0.00 57.97 61.77 3ham h PHE 143 Cb 0.11 0.00 -0.01 0.00 2.00 0.00 0.00 35.95 38.05 3ham h PHE 143 CO -0.18 0.02 -1.04 1.25 -0.18 0.00 0.00 178.31 178.19 3ham h LEU 144 N 0.00 0.00 -0.28 1.54 5.85 -0.38 -2.27 115.31 119.78 3ham h LEU 144 Ca -0.00 0.00 -0.20 0.00 0.84 0.00 0.00 57.88 58.52 3ham h LEU 144 Cb 0.04 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.06 3ham h LEU 144 CO 0.00 0.31 -0.88 -0.61 -0.34 0.00 0.00 178.44 176.93 3ham h GLN 145 N 0.00 0.18 -0.31 1.25 4.15 1.00 -3.20 115.11 118.18 3ham h GLN 145 Ca -0.07 -0.20 -0.06 0.00 0.77 0.00 0.00 58.65 59.09 3ham h GLN 145 Cb 1.30 0.06 -0.01 0.00 0.21 0.00 0.00 27.48 29.04 3ham h GLN 145 CO 0.03 0.95 -0.05 -0.44 -1.93 0.00 0.00 178.83 177.39 3ham h ASP 146 N 0.10 0.58 -0.09 -0.69 5.19 -0.88 -2.90 116.42 117.72 3ham h ASP 146 Ca -0.04 -0.34 -0.00 0.00 -0.62 0.00 0.00 57.03 56.02 3ham h ASP 146 Cb 1.51 -0.16 -0.00 0.00 0.18 0.00 0.00 39.33 40.86 3ham h ASP 146 CO 0.13 0.79 0.05 0.50 -3.12 0.00 0.00 179.24 177.59 3ham h LYS 147 N 0.36 0.13 -0.74 3.56 3.64 -1.49 0.11 116.57 122.15 3ham h LYS 147 Ca 0.08 -0.02 0.03 0.00 -1.27 0.00 0.00 60.65 59.47 3ham h LYS 147 Cb 0.52 -0.03 -0.04 0.00 -0.41 0.00 0.00 32.23 32.27 3ham h LYS 147 CO 0.02 0.17 0.47 -0.22 -2.27 0.00 0.00 179.45 177.62 3ham h LYS 148 N 0.06 0.90 0.04 1.90 3.64 -1.64 -1.74 116.57 119.72 3ham h LYS 148 Ca 0.03 -0.05 0.01 0.00 -1.27 0.00 0.00 60.65 59.37 3ham h LYS 148 Cb 0.07 -0.20 -0.02 0.00 -0.41 0.00 0.00 32.23 31.67 3ham h LYS 148 CO -0.01 0.60 -0.11 -0.07 -2.27 0.00 0.00 179.45 177.59 3ham h LEU 149 N 0.93 -0.32 0.18 5.20 3.38 -1.28 -1.63 115.31 121.76 3ham h LEU 149 Ca 0.29 0.04 0.01 0.00 0.09 0.00 0.00 57.88 58.32 3ham h LEU 149 Cb -0.02 0.13 -0.04 0.00 0.09 0.00 0.00 40.66 40.83 3ham h LEU 149 CO -0.10 -0.17 -0.34 0.25 0.09 0.00 0.00 178.44 178.18 3ham h LEU 150 N -0.21 -0.96 -0.81 1.67 5.85 -0.25 0.84 115.31 121.44 3ham h LEU 150 Ca 0.03 0.10 0.01 0.00 0.84 0.00 0.00 57.88 58.86 3ham h LEU 150 Cb 0.25 0.35 -0.04 0.00 0.37 0.00 0.00 40.66 41.59 3ham h LEU 150 CO -0.09 -0.44 0.53 -0.29 -0.34 0.00 0.00 178.44 177.81 3ham h ILE 151 N -0.60 1.21 -0.36 4.05 2.10 -1.41 -1.02 117.51 121.49 3ham h ILE 151 Ca 0.02 -0.40 0.07 0.00 1.08 0.00 0.00 64.86 65.62 3ham h ILE 151 Cb 0.61 0.03 -0.06 0.00 -1.09 0.00 0.00 36.82 36.31 3ham h ILE 151 CO -0.16 0.21 -0.04 -1.28 -1.08 0.00 0.00 178.15 175.79 3ham h SER 152 N 1.10 -0.23 -0.27 2.19 0.87 -0.22 0.59 113.55 117.57 3ham h SER 152 Ca 0.30 0.09 -0.00 0.00 -1.23 0.00 0.00 61.79 60.95 3ham h SER 152 Cb -0.11 0.18 -0.01 0.00 -0.44 0.00 0.00 62.40 62.02 3ham h SER 152 CO -0.06 -0.08 0.16 0.40 -0.53 0.00 0.00 176.83 176.72 3ham h ILE 153 N 0.05 1.11 -0.75 2.23 2.04 0.92 -0.66 117.51 122.44 3ham h ILE 153 Ca 0.17 -0.27 -0.05 0.00 1.00 0.00 0.00 64.86 65.71 3ham h ILE 153 Cb 0.25 0.79 -0.03 0.00 -0.74 0.00 0.00 36.82 37.09 3ham h ILE 153 CO -0.33 0.11 0.25 -0.07 0.00 0.00 0.00 178.15 178.12 3ham h LEU 154 N 0.34 1.07 -0.08 1.44 4.07 -0.65 0.14 115.31 121.63 3ham h LEU 154 Ca 0.10 -0.19 0.01 0.00 0.08 0.00 0.00 57.88 57.88 3ham h LEU 154 Cb 0.03 -0.28 -0.01 0.00 1.08 0.00 0.00 40.66 41.48 3ham h LEU 154 CO -0.02 0.98 -0.01 -0.33 -1.08 0.00 0.00 178.44 177.99 3ham h GLU 155 N 1.11 0.02 -0.50 1.13 5.08 0.34 0.24 114.58 122.00 3ham h GLU 155 Ca 0.25 -0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.59 3ham h GLU 155 Cb 0.28 -0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.50 3ham h GLU 155 CO -0.01 0.01 0.24 0.87 -1.00 0.00 0.00 179.01 179.12 3ham h LYS 156 N 0.02 0.71 -0.00 2.33 1.57 -0.69 -2.45 116.57 118.06 3ham h LYS 156 Ca 0.04 -0.11 0.00 0.00 -1.87 0.00 0.00 60.65 58.71 3ham h LYS 156 Cb 0.05 -0.13 0.00 0.00 0.08 0.00 0.00 32.23 32.23 3ham h LYS 156 CO -0.07 0.60 0.00 0.39 -0.57 0.00 0.00 179.45 179.80 3ham n GLU 157 N -4.61 1.01 -2.44 3.15 -0.58 -0.00 -4.89 120.64 112.28 3ham n GLU 157 Ca 0.02 -0.02 -0.21 0.00 -0.42 0.00 0.00 57.16 56.54 3ham n GLU 157 Cb 0.12 -1.38 -0.01 0.00 -0.57 0.00 0.00 31.44 29.61 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 -0.86 -1.91 -0.07 3.49 1.13 -0.86 -4.88 117.38 113.42 3ham n GLN 158 Ca 0.18 0.98 -0.04 0.00 -1.94 0.00 0.00 57.00 56.18 3ham n GLN 158 Cb 0.09 -5.63 -0.16 0.00 0.11 0.00 0.00 30.24 24.64 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 -3.02 0.00 -4.56 1.08 4.77 0.01 -5.00 117.00 110.28 3ham n LEU 159 Ca -0.23 0.00 -0.38 0.00 -0.03 0.00 0.00 56.01 55.37 3ham n LEU 159 Cb 0.68 0.35 0.04 0.00 -2.33 0.00 0.00 43.42 42.16 3ham n LEU 159 CO 0.30 0.35 0.38 -0.11 -1.33 0.00 0.00 177.39 176.98 3ham n LEU 160 N -2.60 2.55 -3.78 2.23 7.94 -0.83 -5.01 117.00 117.50 3ham n LEU 160 Ca -0.24 0.81 -0.13 0.00 -1.11 0.00 0.00 56.01 55.34 3ham n LEU 160 Cb 0.98 -1.31 -0.10 0.00 0.53 0.00 0.00 43.42 43.53 3ham n LEU 160 CO 0.43 -2.23 -0.02 0.28 -1.11 0.00 0.00 177.39 174.75 3ham s THR 161 N -1.55 0.04 0.19 1.96 -1.32 -1.26 -4.99 115.64 108.70 3ham s THR 161 Ca 0.72 -0.31 -0.21 0.00 -1.21 0.00 0.00 61.69 60.68 3ham s THR 161 Cb -0.44 -0.52 0.12 0.00 -1.51 0.00 0.00 72.50 70.14 3ham s THR 161 CO 0.51 -0.17 1.43 0.47 -2.21 0.00 0.00 174.62 174.64 3ham n ASP 162 N 1.93 -0.74 0.22 8.08 8.00 -1.26 -0.76 116.55 132.03 3ham n ASP 162 Ca -0.18 1.62 0.10 0.00 0.71 0.00 0.00 54.79 57.04 3ham n ASP 162 Cb 0.57 -0.31 0.49 0.00 -0.02 0.00 0.00 41.12 41.85 3ham n ASP 162 CO 0.00 0.00 0.00 1.05 -0.39 0.00 0.00 177.20 177.86 3ham h GLU 163 N 0.00 0.00 -0.07 -1.24 9.09 -2.00 -2.49 114.58 117.88 3ham h GLU 163 Ca 0.26 0.00 -0.17 0.00 0.05 0.00 0.00 59.36 59.50 3ham h GLU 163 Cb 0.49 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 27.58 3ham h GLU 163 CO -0.90 0.23 -0.69 1.98 0.05 0.00 0.00 179.01 179.69 3ham h MET 164 N 0.00 0.31 -0.26 1.06 4.05 -1.35 -1.72 114.93 117.01 3ham h MET 164 Ca -0.00 -0.24 -0.17 0.00 -0.28 0.00 0.00 59.70 59.00 3ham h MET 164 Cb 0.68 0.05 -0.00 0.00 -0.80 0.00 0.00 31.60 31.53 3ham h MET 164 CO 0.03 0.88 -0.52 1.25 0.23 0.00 0.00 176.91 178.79 3ham h LEU 165 N 0.22 0.83 -0.42 3.39 5.85 -0.80 -1.36 115.31 123.02 3ham h LEU 165 Ca -0.02 -0.43 -0.10 0.00 0.84 0.00 0.00 57.88 58.17 3ham h LEU 165 Cb 1.24 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 42.02 3ham h LEU 165 CO 0.11 1.20 -0.12 -0.08 -0.34 0.00 0.00 178.44 179.21 3ham h GLU 166 N 0.59 0.83 -0.57 1.25 4.22 -1.49 -0.76 114.58 118.65 3ham h GLU 166 Ca 0.02 -0.32 -0.05 0.00 0.08 0.00 0.00 59.36 59.09 3ham h GLU 166 Cb 1.10 -0.04 -0.03 0.00 0.50 0.00 0.00 28.75 30.28 3ham h GLU 166 CO 0.11 0.95 0.16 1.25 -2.18 0.00 0.00 179.01 179.30 3ham h HIS 167 N 0.65 0.89 -0.31 0.92 2.76 -1.20 0.17 115.15 119.03 3ham h HIS 167 Ca 0.11 -0.08 -0.18 0.00 -2.20 0.00 0.00 60.37 58.02 3ham h HIS 167 Cb 0.66 -0.26 -0.00 0.00 1.55 0.00 0.00 27.41 29.35 3ham h HIS 167 CO 0.05 0.73 -0.51 0.82 -1.30 0.00 0.00 177.93 177.72 3ham h ILE 168 N 0.84 1.27 -0.06 6.26 2.04 -1.17 -1.33 117.51 125.36 3ham h ILE 168 Ca 0.19 -1.69 0.03 0.00 1.00 0.00 0.00 64.86 64.39 3ham h ILE 168 Cb 0.28 1.57 -0.04 0.00 -0.74 0.00 0.00 36.82 37.89 3ham h ILE 168 CO -0.00 0.56 -0.17 -0.08 0.00 0.00 0.00 178.15 178.45 3ham h GLU 169 N 0.69 -0.24 -0.23 2.37 4.57 -0.15 -2.21 114.58 119.38 3ham h GLU 169 Ca 0.02 0.02 0.02 0.00 -1.18 0.00 0.00 59.36 58.24 3ham h GLU 169 Cb 1.12 0.05 -0.02 0.00 -0.16 0.00 0.00 28.75 29.74 3ham h GLU 169 CO 0.12 -0.16 0.08 1.15 -1.18 0.00 0.00 179.01 179.02 3ham h THR 170 N -0.25 0.94 -0.72 0.32 2.02 -0.67 -2.57 112.91 111.98 3ham h THR 170 Ca 0.07 -0.06 0.10 0.00 0.77 0.00 0.00 66.41 67.29 3ham h THR 170 Cb 0.35 0.74 -0.08 0.00 -1.74 0.00 0.00 68.15 67.42 3ham h THR 170 CO -0.21 0.03 0.34 0.40 0.37 0.00 0.00 175.52 176.46 3ham h ILE 171 N 0.19 0.80 0.00 3.11 2.04 -0.88 -1.88 117.51 120.88 3ham h ILE 171 Ca 0.10 -0.19 -0.16 0.00 1.00 0.00 0.00 64.86 65.61 3ham h ILE 171 Cb 0.07 0.19 -0.02 0.00 -0.74 0.00 0.00 36.82 36.32 3ham h ILE 171 CO -0.10 0.10 -0.75 1.88 0.00 0.00 0.00 178.15 179.28 3ham h TYR 172 N 0.56 0.00 -0.61 1.37 -1.99 -1.32 -1.50 116.97 113.47 3ham h TYR 172 Ca 0.36 0.00 0.03 0.00 2.00 0.00 0.00 58.73 61.12 3ham h TYR 172 Cb 0.43 0.00 -0.04 0.00 2.00 0.00 0.00 36.73 39.12 3ham h TYR 172 CO -0.12 0.75 0.38 0.93 -0.00 0.00 0.00 178.16 180.09 3ham h GLU 173 N 0.00 0.72 -0.56 4.88 5.08 -0.99 0.46 114.58 124.17 3ham h GLU 173 Ca -0.01 -0.04 -0.06 0.00 -1.00 0.00 0.00 59.36 58.25 3ham h GLU 173 Cb 1.51 -0.16 -0.02 0.00 0.50 0.00 0.00 28.75 30.58 3ham h GLU 173 CO 0.10 0.47 0.10 -0.91 -1.00 0.00 0.00 179.01 177.77 3ham h ASN 174 N 0.74 0.88 -0.07 1.42 2.35 -1.15 -1.18 115.58 118.57 3ham h ASN 174 Ca 0.25 -0.25 -0.01 0.00 -0.55 0.00 0.00 56.30 55.73 3ham h ASN 174 Cb 0.03 -0.23 -0.00 0.00 0.05 0.00 0.00 38.32 38.16 3ham h ASN 174 CO -0.10 0.91 0.00 0.40 -1.65 0.00 0.00 177.43 176.99 3ham h ILE 175 N 0.81 1.25 0.00 2.81 2.04 -0.85 -2.74 117.51 120.82 3ham h ILE 175 Ca 0.17 -0.77 0.00 0.00 1.00 0.00 0.00 64.86 65.26 3ham h ILE 175 Cb 0.40 1.62 0.00 0.00 -0.74 0.00 0.00 36.82 38.10 3ham h ILE 175 CO 0.01 0.21 0.00 -0.07 0.00 0.00 0.00 178.15 178.30 3ham h LEU 176 N -0.16 0.00 -0.19 1.44 3.38 0.01 -1.45 115.31 118.35 3ham h LEU 176 Ca 0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.99 3ham h LEU 176 Cb 0.33 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.08 3ham h LEU 176 CO 0.00 0.00 -0.32 0.59 0.09 0.00 0.00 178.44 178.81 3ham n ASN 177 N -2.44 0.61 -4.57 -0.43 3.02 -0.46 -4.68 115.26 106.31 3ham n ASN 177 Ca -0.00 -0.42 -0.40 0.00 -0.03 0.00 0.00 54.58 53.73 3ham n ASN 177 Cb 0.14 0.09 -0.02 0.00 -0.61 0.00 0.00 39.78 39.38 3ham n ASN 177 CO 0.00 0.00 0.00 0.20 -2.62 0.00 0.00 177.26 174.84 3ham s ASN 178 N -2.77 6.48 0.36 6.41 0.02 -0.55 -4.84 114.94 120.06 3ham s ASN 178 Ca 0.18 -1.72 0.10 0.00 -1.02 0.00 0.00 52.86 50.40 3ham s ASN 178 Cb 0.19 -2.57 0.86 0.00 0.02 0.00 0.00 41.25 39.75 3ham s ASN 178 CO 0.59 -1.52 1.85 0.00 0.02 0.00 0.00 177.10 178.04 3ham h ALA 179 N 9.20 1.89 0.00 0.60 0.00 -1.86 -1.87 119.26 127.21 3ham h ALA 179 Ca 0.27 0.03 -0.07 0.00 0.00 0.00 0.00 54.91 55.13 3ham h ALA 179 Cb 0.96 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.65 3ham h ALA 179 CO 1.42 -0.16 -0.35 -0.39 0.00 0.00 0.00 179.25 179.77 3ham h VAL 180 N 0.64 1.15 -0.88 0.00 -1.51 -1.91 -2.36 116.25 111.39 3ham h VAL 180 Ca 0.47 -1.25 0.14 0.00 -1.23 0.00 0.00 66.70 64.83 3ham h VAL 180 Cb 0.84 1.69 -0.07 0.00 -2.13 0.00 0.00 31.29 31.63 3ham h VAL 180 CO -0.22 0.35 0.57 -0.07 -1.23 0.00 0.00 177.57 176.96 3ham h LEU 181 N 0.00 0.63 -1.22 4.19 4.07 -1.73 -2.78 115.31 118.47 3ham h LEU 181 Ca -0.00 0.04 0.00 0.00 0.08 0.00 0.00 57.88 57.99 3ham h LEU 181 Cb 0.67 -0.09 0.00 0.00 1.08 0.00 0.00 40.66 42.32 3ham h LEU 181 CO 0.05 0.32 -0.27 0.49 -1.08 0.00 0.00 178.44 177.94 3ham n PHE 182 N -4.55 0.00 -3.89 1.13 3.01 -0.90 -4.77 117.46 107.49 3ham n PHE 182 Ca 0.17 0.00 -0.35 0.00 1.01 0.00 0.00 57.45 58.28 3ham n PHE 182 Cb 0.47 -0.01 -0.14 0.00 -0.01 0.00 0.00 39.48 39.79 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 -2.30 2.47 0.16 -1.08 3.01 -1.05 -5.05 119.74 115.90 3ham s LYS 183 Ca 0.23 -1.24 -0.24 0.00 -1.01 0.00 0.00 55.97 53.72 3ham s LYS 183 Cb 0.19 -3.20 0.06 0.00 -1.01 0.00 0.00 37.83 33.87 3ham s LYS 183 CO 0.47 -0.61 0.71 1.52 0.51 0.00 0.00 175.35 177.94 3ham s TYR 184 N 1.27 -0.39 -0.39 3.18 1.13 -1.26 -4.91 117.35 115.99 3ham s TYR 184 Ca -0.05 0.13 -0.15 0.00 -1.41 0.00 0.00 57.07 55.59 3ham s TYR 184 Cb -0.20 0.60 0.01 0.00 -1.10 0.00 0.00 41.96 41.27 3ham s TYR 184 CO -0.01 -0.88 0.32 0.99 -2.51 0.00 0.00 175.55 173.46 3ham s THR 185 N -3.63 5.22 0.13 -3.49 2.01 -1.26 -5.03 115.64 109.58 3ham s THR 185 Ca 0.05 -0.41 -0.31 0.00 0.31 0.00 0.00 61.69 61.33 3ham s THR 185 Cb -0.02 -3.89 -0.10 0.00 0.01 0.00 0.00 72.50 68.50 3ham s THR 185 CO -0.06 -0.24 1.76 -2.84 -0.69 0.00 0.00 174.62 172.54 3ham s PRO 186 N 1.82 4.15 0.26 4.92 0.02 -1.26 -4.43 135.00 140.49 3ham s PRO 186 Ca 0.07 2.53 0.02 0.00 0.02 0.00 0.00 61.00 63.65 3ham s PRO 186 Cb -0.18 -3.48 -0.05 0.00 0.02 0.00 0.00 34.50 30.81 3ham s PRO 186 CO 0.11 -0.79 0.06 0.00 -0.33 0.00 0.00 177.00 176.05 3ham n LEU 188 N -0.49 4.06 -4.25 0.00 7.94 -1.26 0.22 117.00 123.21 3ham n LEU 188 Ca -0.02 0.94 -0.24 0.00 -1.11 0.00 0.00 56.01 55.57 3ham n LEU 188 Cb 0.66 -1.52 -0.13 0.00 0.53 0.00 0.00 43.42 42.95 3ham n LEU 188 CO 0.38 0.17 -0.51 0.68 -1.11 0.00 0.00 177.39 177.00 3ham s VAL 189 N 3.84 1.62 0.01 1.96 -7.23 0.69 -4.41 120.40 116.87 3ham s VAL 189 Ca 0.87 -1.32 -0.23 0.00 -1.81 0.00 0.00 61.98 59.49 3ham s VAL 189 Cb -0.47 -1.44 -0.17 0.00 0.56 0.00 0.00 36.38 34.86 3ham s VAL 189 CO 0.41 0.07 1.33 -0.74 -0.31 0.00 0.00 175.10 175.86 3ham h HIS 190 N 4.54 0.21 0.00 2.82 2.76 -1.89 -2.08 115.15 121.52 3ham h HIS 190 Ca -0.43 -0.06 0.00 0.00 -2.20 0.00 0.00 60.37 57.67 3ham h HIS 190 Cb 1.17 -0.05 0.00 0.00 1.55 0.00 0.00 27.41 30.08 3ham h HIS 190 CO 0.55 0.60 0.00 0.09 -1.30 0.00 0.00 177.93 177.87 3ham n ASN 191 N -4.72 0.00 -2.77 3.26 3.02 -1.26 -2.44 115.26 110.34 3ham n ASN 191 Ca -0.07 0.00 -0.01 0.00 -0.03 0.00 0.00 54.58 54.47 3ham n ASN 191 Cb 0.29 -0.47 0.08 0.00 -0.61 0.00 0.00 39.78 39.07 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 0.50 -4.55 6.41 2.03 -1.26 -4.99 116.55 114.68 3ham n ASP 192 Ca 0.00 -2.13 -0.41 0.00 0.52 0.00 0.00 54.79 52.77 3ham n ASP 192 Cb 0.00 -0.07 -0.03 0.00 -0.72 0.00 0.00 41.12 40.30 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 -2.41 2.22 0.15 -0.67 5.36 -1.26 -4.73 117.98 116.64 3ham s PHE 193 Ca 0.21 0.13 -0.25 0.00 -0.96 0.00 0.00 56.93 56.07 3ham s PHE 193 Cb 0.37 -4.53 0.06 0.00 -0.34 0.00 0.00 43.02 38.58 3ham s PHE 193 CO -0.07 -2.07 0.84 0.45 -1.46 0.00 0.00 175.22 172.91 3ham s SER 194 N 4.31 -0.29 0.39 6.13 0.15 -1.26 -4.41 113.70 118.71 3ham s SER 194 Ca 0.41 -0.31 0.16 0.00 0.70 0.00 0.00 55.95 56.92 3ham s SER 194 Cb -0.09 0.54 0.80 0.00 -1.71 0.00 0.00 66.02 65.56 3ham s SER 194 CO 0.17 -0.96 1.82 0.00 1.20 0.00 0.00 173.24 175.48 3ham h ALA 195 N 2.00 1.23 -0.00 5.45 0.00 -1.89 -1.51 119.26 124.53 3ham h ALA 195 Ca -0.24 -0.32 0.00 0.00 0.00 0.00 0.00 54.91 54.35 3ham h ALA 195 Cb 1.25 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.98 3ham h ALA 195 CO 0.28 0.44 0.02 -2.95 0.00 0.00 0.00 179.25 177.04 3ham h ASN 196 N 0.00 0.00 -0.30 0.00 -1.07 -1.93 -1.24 115.58 111.04 3ham h ASN 196 Ca -0.00 0.00 -0.06 0.00 0.07 0.00 0.00 56.30 56.31 3ham h ASN 196 Cb 0.71 0.00 -0.04 0.00 -2.07 0.00 0.00 38.32 36.92 3ham h ASN 196 CO 0.05 0.00 0.00 0.59 0.07 0.00 0.00 177.43 178.14 3ham n ASN 197 N -3.19 3.53 -4.26 6.14 3.02 -0.57 -4.98 115.26 114.95 3ham n ASN 197 Ca -0.03 -3.22 -0.24 0.00 -0.03 0.00 0.00 54.58 51.06 3ham n ASN 197 Cb 0.09 -0.58 -0.13 0.00 -0.61 0.00 0.00 39.78 38.55 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 -2.95 1.19 -0.16 3.52 -1.94 -0.47 -0.81 119.30 117.68 3ham s MET 198 Ca 0.43 -1.06 0.01 0.00 -1.71 0.00 0.00 55.69 53.37 3ham s MET 198 Cb 0.36 -1.38 0.02 0.00 2.01 0.00 0.00 34.83 35.84 3ham s MET 198 CO 0.07 0.33 -0.18 0.42 -0.01 0.00 0.00 175.02 175.65 3ham s ILE 199 N -1.03 1.83 0.07 2.53 -1.09 0.12 -4.82 121.20 118.81 3ham s ILE 199 Ca 0.06 -0.81 0.04 0.00 -2.23 0.00 0.00 60.65 57.72 3ham s ILE 199 Cb -0.09 -1.67 -0.04 0.00 -1.58 0.00 0.00 42.46 39.08 3ham s ILE 199 CO 0.03 0.50 -0.01 -0.36 -1.23 0.00 0.00 174.94 173.87 3ham s PHE 200 N 1.26 2.98 -0.01 3.97 0.40 0.12 -0.09 117.98 126.61 3ham s PHE 200 Ca 0.02 -0.02 0.03 0.00 -0.60 0.00 0.00 56.93 56.37 3ham s PHE 200 Cb -0.14 -1.56 -0.01 0.00 0.51 0.00 0.00 43.02 41.83 3ham s PHE 200 CO -0.09 0.46 -0.10 1.03 0.70 0.00 0.00 175.22 177.22 3ham s ARG 201 N -2.08 0.91 -1.46 0.44 0.52 0.24 -0.74 118.95 116.79 3ham s ARG 201 Ca 0.24 -0.37 -0.04 0.00 -0.52 0.00 0.00 55.73 55.03 3ham s ARG 201 Cb -0.12 -0.87 0.03 0.00 0.52 0.00 0.00 34.95 34.52 3ham s ARG 201 CO 0.16 0.20 0.53 0.09 0.02 0.00 0.00 175.30 176.30 3ham n ASN 202 N 2.94 -1.17 -1.84 0.23 5.03 -1.26 0.02 115.26 119.21 3ham n ASN 202 Ca -0.15 -0.98 -0.17 0.00 0.87 0.00 0.00 54.58 54.14 3ham n ASN 202 Cb 0.56 -3.11 -0.05 0.00 -1.02 0.00 0.00 39.78 36.16 3ham n ASN 202 CO 0.00 0.00 0.00 0.59 -1.83 0.00 0.00 177.26 176.02 3ham n ASN 203 N -2.92 -4.79 -3.92 6.41 3.02 -1.26 -4.94 115.26 106.86 3ham n ASN 203 Ca -0.22 0.30 -0.12 0.00 -0.03 0.00 0.00 54.58 54.51 3ham n ASN 203 Cb 0.64 -4.19 -0.13 0.00 -0.61 0.00 0.00 39.78 35.49 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 -4.05 0.16 -0.04 3.52 0.52 0.10 -4.58 118.95 114.58 3ham s ARG 204 Ca 0.00 -0.21 -0.35 0.00 -0.52 0.00 0.00 55.73 54.65 3ham s ARG 204 Cb 0.00 -0.04 -0.14 0.00 0.52 0.00 0.00 34.95 35.29 3ham s ARG 204 CO 0.00 0.01 1.72 -0.11 0.02 0.00 0.00 175.30 176.93 3ham n LEU 205 N 2.62 2.96 -0.11 2.53 7.94 -1.26 -0.59 117.00 131.09 3ham n LEU 205 Ca -0.16 1.04 -0.21 0.00 -1.11 0.00 0.00 56.01 55.57 3ham n LEU 205 Cb 0.58 -1.32 -0.09 0.00 0.53 0.00 0.00 43.42 43.12 3ham n LEU 205 CO 0.24 -0.30 -1.27 0.33 -1.11 0.00 0.00 177.39 175.29 3ham n PHE 206 N 5.11 0.00 -3.66 1.96 7.35 0.87 -4.79 117.46 124.30 3ham n PHE 206 Ca 0.21 0.00 -0.14 0.00 -0.76 0.00 0.00 57.45 56.76 3ham n PHE 206 Cb 0.25 -0.84 -0.07 0.00 0.35 0.00 0.00 39.48 39.17 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 -5.70 -0.30 -0.09 7.13 0.00 -0.70 -1.37 107.32 106.29 3ham s GLY 207 Ca -0.31 0.51 0.03 0.00 0.00 0.00 0.00 44.72 44.94 3ham s GLY 207 CO 0.45 0.24 -0.18 0.14 0.00 0.00 0.00 173.10 173.75 3ham s VAL 208 N -1.91 2.66 0.20 1.40 1.01 -0.77 0.15 120.40 123.15 3ham s VAL 208 Ca -0.09 -0.83 0.01 0.00 0.00 0.00 0.00 61.98 61.07 3ham s VAL 208 Cb -0.02 -2.05 -0.00 0.00 0.00 0.00 0.00 36.38 34.30 3ham s VAL 208 CO 0.02 0.56 0.03 2.30 0.00 0.00 0.00 175.10 178.01 3ham n ILE 209 N 3.08 0.00 -3.59 2.22 -5.35 0.01 -4.28 119.36 111.45 3ham n ILE 209 Ca -0.18 -1.06 -0.18 0.00 -0.27 0.00 0.00 62.75 61.06 3ham n ILE 209 Cb 0.52 0.30 0.00 0.00 -1.74 0.00 0.00 39.64 38.72 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 -1.48 -5.64 -0.70 7.28 8.00 -1.26 -4.85 116.55 117.90 3ham n ASP 210 Ca -0.06 -0.71 0.01 0.00 0.71 0.00 0.00 54.79 54.74 3ham n ASP 210 Cb 0.28 -2.63 0.06 0.00 -0.02 0.00 0.00 41.12 38.81 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 -2.33 0.29 -0.32 1.24 3.72 -1.26 -4.57 117.46 114.23 3ham n PHE 211 Ca -0.23 -0.11 0.18 0.00 -0.05 0.00 0.00 57.45 57.23 3ham n PHE 211 Cb 0.64 -0.16 0.43 0.00 -0.94 0.00 0.00 39.48 39.45 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 4.84 1.39 -3.76 1.37 0.00 -1.89 -1.04 103.07 103.98 3ham h GLY 212 Ca 0.00 -0.27 -0.28 0.00 0.00 0.00 0.00 47.33 46.79 3ham h GLY 212 CO 0.07 -0.08 0.35 1.22 0.00 0.00 0.00 176.54 178.10 3ham n ASP 213 N -4.66 4.63 -4.74 0.19 8.00 -1.26 -4.86 116.55 113.84 3ham n ASP 213 Ca 0.23 -3.28 -0.33 0.00 0.71 0.00 0.00 54.79 52.12 3ham n ASP 213 Cb 0.70 -0.77 0.09 0.00 -0.02 0.00 0.00 41.12 41.13 3ham n ASP 213 CO 0.00 0.00 0.00 0.72 -0.39 0.00 0.00 177.20 177.53 3ham s PHE 214 N -3.01 2.25 0.26 1.24 -0.71 -0.40 -4.41 117.98 113.21 3ham s PHE 214 Ca 0.55 1.61 -0.20 0.00 -1.04 0.00 0.00 56.93 57.84 3ham s PHE 214 Cb 0.44 -3.28 0.06 0.00 -1.21 0.00 0.00 43.02 39.03 3ham s PHE 214 CO 0.13 -2.21 0.91 0.54 -1.34 0.00 0.00 175.22 173.25 3ham s ASN 215 N -2.53 -0.05 -0.46 1.98 2.20 -0.78 -5.01 114.94 110.29 3ham s ASN 215 Ca 0.69 -0.79 -0.20 0.00 -0.94 0.00 0.00 52.86 51.62 3ham s ASN 215 Cb -0.23 0.64 0.03 0.00 -2.00 0.00 0.00 41.25 39.69 3ham s ASN 215 CO 0.48 -1.25 0.63 -0.69 -2.94 0.00 0.00 177.10 173.33 3ham s VAL 216 N -2.55 4.84 0.00 3.54 1.01 0.88 -0.23 120.40 127.91 3ham s VAL 216 Ca 0.17 -0.09 0.00 0.00 0.00 0.00 0.00 61.98 62.06 3ham s VAL 216 Cb -0.04 -4.23 0.00 0.00 0.00 0.00 0.00 36.38 32.11 3ham s VAL 216 CO 0.07 -0.66 0.00 0.61 0.00 0.00 0.00 175.10 175.12 3ham n GLY 217 N 5.08 4.14 3.64 4.51 0.00 0.13 -3.12 105.19 119.58 3ham n GLY 217 Ca -0.03 -0.93 -0.43 0.00 0.00 0.00 0.00 46.02 44.63 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 1.55 6.43 0.54 1.61 3.68 -1.26 -0.21 116.67 129.00 3ham s ASP 218 Ca 0.00 1.91 0.29 0.00 2.13 0.00 0.00 52.55 56.88 3ham s ASP 218 Cb 0.00 -2.53 1.45 0.00 -1.45 0.00 0.00 42.92 40.39 3ham s ASP 218 CO 0.00 -1.17 1.93 1.55 0.13 0.00 0.00 175.17 177.61 3ham h PRO 219 N 10.57 0.00 0.00 4.34 0.13 -1.86 0.16 132.00 145.34 3ham h PRO 219 Ca -0.37 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.76 3ham h PRO 219 Cb 1.17 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.30 3ham h PRO 219 CO 0.98 0.00 0.00 -0.25 -0.23 0.00 0.00 178.00 178.50 3ham n ASP 220 N -4.29 0.00 -0.16 1.44 8.00 -1.26 -1.99 116.55 118.28 3ham n ASP 220 Ca 0.14 0.43 0.04 0.00 0.71 0.00 0.00 54.79 56.11 3ham n ASP 220 Cb 0.80 -0.44 0.32 0.00 -0.02 0.00 0.00 41.12 41.79 3ham n ASP 220 CO 0.00 0.00 0.00 0.78 -0.39 0.00 0.00 177.20 177.59 3ham h ASN 221 N 0.00 0.71 -0.05 -2.24 2.35 -1.07 -2.54 115.58 112.74 3ham h ASN 221 Ca 0.00 -0.01 0.00 0.00 -0.55 0.00 0.00 56.30 55.74 3ham h ASN 221 Cb 0.05 -0.17 0.00 0.00 0.05 0.00 0.00 38.32 38.25 3ham h ASN 221 CO 0.00 0.49 0.00 0.47 -1.65 0.00 0.00 177.43 176.74 3ham n ASP 222 N -4.46 0.42 -0.00 5.81 10.43 -0.84 -2.24 116.55 125.68 3ham n ASP 222 Ca 0.08 -1.64 0.06 0.00 2.57 0.00 0.00 54.79 55.87 3ham n ASP 222 Cb 0.12 -0.03 -0.08 0.00 1.84 0.00 0.00 41.12 42.97 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 -0.44 0.00 -0.24 1.24 3.01 -0.96 -4.69 117.46 115.39 3ham n PHE 223 Ca 0.11 0.00 0.06 0.00 1.01 0.00 0.00 57.45 58.63 3ham n PHE 223 Cb 0.11 -0.01 0.31 0.00 -0.01 0.00 0.00 39.48 39.88 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 0.76 0.07 4.37 3.38 -1.46 0.51 115.31 122.93 3ham h LEU 224 Ca 0.00 0.01 -0.12 0.00 0.09 0.00 0.00 57.88 57.86 3ham h LEU 224 Cb 0.32 -0.15 0.01 0.00 0.09 0.00 0.00 40.66 40.92 3ham h LEU 224 CO 0.00 0.48 -0.56 0.00 0.09 0.00 0.00 178.44 178.45 3ham h LEU 226 N -0.69 0.00 -2.18 0.00 3.38 -1.70 -2.45 115.31 111.67 3ham h LEU 226 Ca -0.11 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.86 3ham h LEU 226 Cb 1.35 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.10 3ham h LEU 226 CO 0.05 0.00 0.00 0.18 0.09 0.00 0.00 178.44 178.76 3ham n LEU 227 N -3.89 2.53 -4.94 1.67 4.77 0.14 -3.40 117.00 113.89 3ham n LEU 227 Ca 0.10 -1.50 -0.30 0.00 -0.03 0.00 0.00 56.01 54.28 3ham n LEU 227 Cb 0.71 -0.13 0.21 0.00 -2.33 0.00 0.00 43.42 41.88 3ham n LEU 227 CO 0.31 0.57 0.90 1.51 -1.33 0.00 0.00 177.39 179.34 3ham s ASP 228 N -1.02 2.77 -0.26 -1.43 -4.77 -0.93 -4.78 116.67 106.26 3ham s ASP 228 Ca 0.20 0.15 0.06 0.00 -3.30 0.00 0.00 52.55 49.66 3ham s ASP 228 Cb 0.12 -0.09 0.55 0.00 -1.09 0.00 0.00 42.92 42.42 3ham s ASP 228 CO 0.16 -2.94 1.57 0.00 0.70 0.00 0.00 175.17 174.67 3ham s SER 230 N -0.65 5.54 -0.27 0.00 1.04 -1.26 -5.00 113.70 113.09 3ham s SER 230 Ca 0.42 -0.44 0.13 0.00 0.48 0.00 0.00 55.95 56.54 3ham s SER 230 Cb 0.34 -0.89 0.78 0.00 0.10 0.00 0.00 66.02 66.34 3ham s SER 230 CO 0.10 -0.54 1.76 0.35 0.98 0.00 0.00 173.24 175.89 3ham n THR 231 N -1.61 2.82 0.15 2.02 -2.24 -1.26 -4.43 114.28 109.73 3ham n THR 231 Ca 0.02 -1.55 0.02 0.00 -2.27 0.00 0.00 64.05 60.27 3ham n THR 231 Cb 0.59 -0.31 0.19 0.00 -2.10 0.00 0.00 70.33 68.70 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 3.32 0.00 0.00 3.42 3.32 -1.95 -3.40 116.42 121.13 3ham h ASP 232 Ca 0.11 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.16 3ham h ASP 232 Cb 2.09 0.00 0.00 0.00 0.22 0.00 0.00 39.33 41.64 3ham h ASP 232 CO 0.58 0.54 0.00 0.47 -1.72 0.00 0.00 179.24 179.11 3ham n ASP 233 N -3.55 0.00 -0.59 6.45 8.00 -1.26 -4.42 116.55 121.18 3ham n ASP 233 Ca -0.00 0.00 0.07 0.00 0.71 0.00 0.00 54.79 55.57 3ham n ASP 233 Cb 0.62 0.00 0.07 0.00 -0.02 0.00 0.00 41.12 41.80 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 0.06 0.00 1.24 0.99 -1.26 -3.76 117.46 114.73 3ham n PHE 234 Ca 0.00 -0.05 0.00 0.00 -0.00 0.00 0.00 57.45 57.40 3ham n PHE 234 Cb 0.00 -0.00 0.00 0.00 -1.00 0.00 0.00 39.48 38.48 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 0.80 2.22 0.29 1.37 0.00 -1.26 -4.62 105.19 103.99 3ham n GLY 235 Ca 0.09 -1.99 -0.08 0.00 0.00 0.00 0.00 46.02 44.05 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 0.95 -0.46 1.61 1.57 -1.78 -2.79 116.57 115.67 3ham h LYS 236 Ca 0.00 -0.30 0.09 0.00 -1.87 0.00 0.00 60.65 58.56 3ham h LYS 236 Cb 0.00 -0.09 -0.08 0.00 0.08 0.00 0.00 32.23 32.15 3ham h LYS 236 CO 0.00 0.97 -0.00 1.49 -0.57 0.00 0.00 179.45 181.33 3ham h GLU 237 N 0.87 0.11 -0.77 3.15 4.57 -1.89 -0.18 114.58 120.43 3ham h GLU 237 Ca 0.15 -0.01 0.01 0.00 -1.18 0.00 0.00 59.36 58.34 3ham h GLU 237 Cb 0.57 -0.02 -0.04 0.00 -0.16 0.00 0.00 28.75 29.09 3ham h GLU 237 CO 0.03 0.07 0.50 0.35 -1.18 0.00 0.00 179.01 178.79 3ham h PHE 238 N 0.11 0.95 -0.82 0.92 3.04 -1.76 0.79 116.94 120.17 3ham h PHE 238 Ca 0.23 0.02 0.19 0.00 3.98 0.00 0.00 57.97 62.40 3ham h PHE 238 Cb 0.34 -0.32 -0.14 0.00 2.56 0.00 0.00 35.95 38.39 3ham h PHE 238 CO -0.30 0.58 0.01 0.78 -2.02 0.00 0.00 178.31 177.37 3ham h GLY 239 N 1.02 0.94 0.95 2.40 0.00 -0.85 -0.68 103.07 106.84 3ham h GLY 239 Ca 0.29 0.12 -0.09 0.00 0.00 0.00 0.00 47.33 47.64 3ham h GLY 239 CO -0.07 -0.33 -0.16 3.21 0.00 0.00 0.00 176.54 179.18 3ham h ARG 240 N 0.09 0.69 -0.50 4.80 3.08 0.40 -3.13 114.38 119.82 3ham h ARG 240 Ca 0.46 -0.30 0.09 0.00 0.07 0.00 0.00 59.98 60.30 3ham h ARG 240 Cb 0.84 -0.02 -0.08 0.00 0.08 0.00 0.00 29.97 30.79 3ham h ARG 240 CO -0.72 0.90 0.05 0.87 -1.07 0.00 0.00 179.97 179.99 3ham h LYS 241 N 0.46 0.17 -6.28 0.04 1.57 0.17 -0.44 116.57 112.26 3ham h LYS 241 Ca 0.07 -0.01 -0.56 0.00 -1.87 0.00 0.00 60.65 58.29 3ham h LYS 241 Cb 0.69 -0.04 -0.03 0.00 0.08 0.00 0.00 32.23 32.93 3ham h LYS 241 CO 0.05 0.11 0.73 0.08 -0.57 0.00 0.00 179.45 179.85 3ham s VAL 242 N -6.15 4.29 0.00 0.50 1.01 -0.39 -1.48 120.40 118.19 3ham s VAL 242 Ca -0.13 1.61 0.00 0.00 0.00 0.00 0.00 61.98 63.45 3ham s VAL 242 Cb 0.16 -4.03 0.00 0.00 0.00 0.00 0.00 36.38 32.51 3ham s VAL 242 CO 0.73 -0.03 0.00 0.18 0.00 0.00 0.00 175.10 175.98 3ham n LEU 243 N 5.45 0.00 -0.07 3.92 4.77 -1.21 -4.68 117.00 125.18 3ham n LEU 243 Ca 0.11 0.00 -0.14 0.00 -0.03 0.00 0.00 56.01 55.95 3ham n LEU 243 Cb 0.46 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.45 3ham n LEU 243 CO 0.55 0.00 0.50 0.50 -1.33 0.00 0.00 177.39 177.61 3ham h LYS 244 N 0.00 -0.47 -6.57 3.23 3.11 -0.92 -1.47 116.57 113.49 3ham h LYS 244 Ca 0.00 0.03 -0.52 0.00 -2.81 0.00 0.00 60.65 57.36 3ham h LYS 244 Cb 0.00 0.11 -0.03 0.00 -1.00 0.00 0.00 32.23 31.31 3ham h LYS 244 CO 0.00 -0.31 0.28 0.71 -2.81 0.00 0.00 179.45 177.32 3ham s TYR 245 N -5.59 3.88 0.00 1.91 1.51 -0.55 -2.70 117.35 115.81 3ham s TYR 245 Ca -0.14 1.74 0.00 0.00 -1.01 0.00 0.00 57.07 57.66 3ham s TYR 245 Cb 0.07 -2.93 0.00 0.00 -0.11 0.00 0.00 41.96 39.00 3ham s TYR 245 CO 0.59 0.37 0.00 0.98 -1.11 0.00 0.00 175.55 176.38 3ham n TYR 246 N 2.12 0.00 -3.93 2.71 4.19 -1.23 -4.51 117.16 116.52 3ham n TYR 246 Ca -0.02 0.00 -0.32 0.00 3.31 0.00 0.00 57.90 60.88 3ham n TYR 246 Cb 0.49 0.00 -0.02 0.00 0.49 0.00 0.00 39.34 40.29 3ham n TYR 246 CO 0.00 0.00 0.00 1.04 0.91 0.00 0.00 176.86 178.81 3ham n GLN 247 N -0.69 -3.14 -1.56 2.98 6.02 -0.60 -4.80 117.38 115.58 3ham n GLN 247 Ca 0.00 0.38 -0.44 0.00 -0.01 0.00 0.00 57.00 56.93 3ham n GLN 247 Cb 0.00 -5.09 -0.01 0.00 1.02 0.00 0.00 30.24 26.15 3ham n GLN 247 CO 0.00 0.00 0.00 1.58 -1.01 0.00 0.00 177.06 177.63 3ham n HIS 248 N -4.17 0.87 0.25 1.08 -0.00 -0.91 -4.86 115.22 107.48 3ham n HIS 248 Ca 0.05 0.71 0.14 0.00 0.46 0.00 0.00 57.72 59.08 3ham n HIS 248 Cb 0.50 -2.19 0.46 0.00 -0.12 0.00 0.00 29.99 28.65 3ham n HIS 248 CO 0.00 0.00 0.00 0.87 0.46 0.00 0.00 176.34 177.67 3ham h LYS 249 N 1.70 0.00 -1.18 1.57 1.57 -1.92 -3.40 116.57 114.91 3ham h LYS 249 Ca -0.39 0.00 -0.38 0.00 -1.87 0.00 0.00 60.65 58.01 3ham h LYS 249 Cb 1.36 0.00 -0.26 0.00 0.08 0.00 0.00 32.23 33.40 3ham h LYS 249 CO 0.59 0.05 -0.77 0.00 -0.57 0.00 0.00 179.45 178.75 3ham n ALA 250 N -2.12 0.44 0.33 3.86 0.00 -1.26 -5.01 120.51 116.75 3ham n ALA 250 Ca 0.02 -2.27 0.14 0.00 0.00 0.00 0.00 53.44 51.33 3ham n ALA 250 Cb 0.41 -1.10 0.72 0.00 0.00 0.00 0.00 19.45 19.49 3ham n ALA 250 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 3ham h PRO 251 N 4.40 0.00 0.00 0.00 0.11 -1.96 0.33 132.00 134.88 3ham h PRO 251 Ca 0.02 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.13 3ham h PRO 251 Cb 0.97 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.08 3ham h PRO 251 CO 0.33 0.00 -1.47 0.39 -0.21 0.00 0.00 178.00 177.04 3ham n GLU 252 N -2.82 0.58 0.05 1.05 1.02 -1.26 -3.15 120.64 116.11 3ham n GLU 252 Ca -0.02 -0.04 -0.11 0.00 -0.02 0.00 0.00 57.16 56.96 3ham n GLU 252 Cb 0.44 -1.65 -0.00 0.00 -0.02 0.00 0.00 31.44 30.20 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 1.38 -0.09 2.62 2.07 -0.76 -2.84 116.25 118.63 3ham h VAL 253 Ca 0.00 -2.22 -0.03 0.00 0.82 0.00 0.00 66.70 65.27 3ham h VAL 253 Cb 0.96 2.19 -0.00 0.00 -1.52 0.00 0.00 31.29 32.92 3ham h VAL 253 CO 0.00 0.67 -0.05 0.00 0.02 0.00 0.00 177.57 178.21 3ham h ALA 254 N 0.85 0.12 0.00 1.67 0.00 -1.63 -2.60 119.26 117.67 3ham h ALA 254 Ca -0.05 -0.25 -0.01 0.00 0.00 0.00 0.00 54.91 54.60 3ham h ALA 254 Cb 1.39 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 19.15 3ham h ALA 254 CO 0.14 -0.10 -0.04 1.49 0.00 0.00 0.00 179.25 180.73 3ham h GLU 255 N -0.19 0.00 0.19 0.00 4.81 -1.64 -1.40 114.58 116.35 3ham h GLU 255 Ca 0.02 0.00 -0.30 0.00 -0.13 0.00 0.00 59.36 58.94 3ham h GLU 255 Cb 0.52 0.00 0.02 0.00 0.63 0.00 0.00 28.75 29.92 3ham h GLU 255 CO 0.01 0.04 -1.43 -0.09 -0.73 0.00 0.00 179.01 176.82 3ham h ARG 256 N 0.00 0.40 -0.75 1.92 1.12 -1.39 -1.36 114.38 114.32 3ham h ARG 256 Ca -0.00 -0.69 0.06 0.00 -1.11 0.00 0.00 59.98 58.24 3ham h ARG 256 Cb 0.18 0.26 -0.06 0.00 -0.01 0.00 0.00 29.97 30.34 3ham h ARG 256 CO 0.01 1.33 0.44 0.87 -3.11 0.00 0.00 179.97 179.50 3ham h LYS 257 N -0.04 0.77 -0.74 0.20 1.57 -1.04 0.24 116.57 117.54 3ham h LYS 257 Ca -0.27 -0.05 -0.01 0.00 -1.87 0.00 0.00 60.65 58.45 3ham h LYS 257 Cb 1.98 -0.17 -0.04 0.00 0.08 0.00 0.00 32.23 34.09 3ham h LYS 257 CO 0.19 0.51 0.42 0.00 -0.57 0.00 0.00 179.45 180.00 3ham h ALA 258 N 1.38 0.94 -0.93 3.86 0.00 -1.24 0.23 119.26 123.51 3ham h ALA 258 Ca 0.33 -0.10 0.01 0.00 0.00 0.00 0.00 54.91 55.15 3ham h ALA 258 Cb 0.19 -0.30 -0.05 0.00 0.00 0.00 0.00 17.79 17.64 3ham h ALA 258 CO -0.18 0.44 0.61 0.93 0.00 0.00 0.00 179.25 181.05 3ham h GLU 259 N 1.01 1.21 -0.06 0.00 5.08 -0.49 -1.18 114.58 120.15 3ham h GLU 259 Ca 0.26 -0.07 -0.18 0.00 -1.00 0.00 0.00 59.36 58.37 3ham h GLU 259 Cb 0.00 -0.27 -0.01 0.00 0.50 0.00 0.00 28.75 28.97 3ham h GLU 259 CO -0.05 0.80 -0.72 -0.07 -1.00 0.00 0.00 179.01 177.98 3ham h LEU 260 N 1.25 0.39 -0.51 1.33 3.38 0.39 -2.73 115.31 118.81 3ham h LEU 260 Ca 0.34 -0.26 0.03 0.00 0.09 0.00 0.00 57.88 58.09 3ham h LEU 260 Cb -0.13 -0.12 -0.04 0.00 0.09 0.00 0.00 40.66 40.47 3ham h LEU 260 CO -0.08 0.98 0.29 -1.13 0.09 0.00 0.00 178.44 178.60 3ham h ASN 261 N 0.22 0.47 -0.89 -0.43 -1.24 -0.31 -1.58 115.58 111.82 3ham h ASN 261 Ca -0.03 0.01 0.00 0.00 0.71 0.00 0.00 56.30 56.99 3ham h ASN 261 Cb 1.28 -0.09 -0.04 0.00 0.73 0.00 0.00 38.32 40.20 3ham h ASN 261 CO 0.12 0.33 0.56 0.44 -1.29 0.00 0.00 177.43 177.59 3ham h ASP 262 N 0.58 1.05 0.42 1.15 3.32 -1.05 -0.32 116.42 121.56 3ham h ASP 262 Ca 0.21 -0.05 -0.04 0.00 0.02 0.00 0.00 57.03 57.17 3ham h ASP 262 Cb 0.04 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 39.32 3ham h ASP 262 CO -0.11 0.78 -0.21 1.62 -1.72 0.00 0.00 179.24 179.61 3ham h VAL 263 N 1.22 0.82 0.00 -1.35 3.04 -1.25 -1.92 116.25 116.81 3ham h VAL 263 Ca 0.32 -0.82 0.00 0.00 -1.01 0.00 0.00 66.70 65.20 3ham h VAL 263 Cb -0.09 1.49 0.00 0.00 -2.01 0.00 0.00 31.29 30.67 3ham h VAL 263 CO -0.07 0.20 0.00 0.00 -1.01 0.00 0.00 177.57 176.70 3ham n TYR 264 N -3.81 0.00 0.24 3.17 9.36 -0.19 -3.66 117.16 122.28 3ham n TYR 264 Ca -0.02 0.00 0.08 0.00 3.32 0.00 0.00 57.90 61.28 3ham n TYR 264 Cb 0.31 -0.29 0.60 0.00 -0.63 0.00 0.00 39.34 39.33 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 0.00 0.00 0.06 2.98 -0.00 -0.74 -1.86 115.95 116.39 3ham h TRP 265 Ca 0.00 0.00 0.02 0.00 -0.00 0.00 0.00 58.89 58.91 3ham h TRP 265 Cb 0.21 0.00 -0.03 0.00 -0.00 0.00 0.00 29.16 29.34 3ham h TRP 265 CO 0.00 0.11 -0.17 0.77 -0.00 0.00 0.00 178.44 179.15 3ham h SER 266 N 0.00 -0.47 -0.24 2.65 0.02 -1.78 -1.84 113.55 111.89 3ham h SER 266 Ca -0.00 0.06 -0.12 0.00 -0.84 0.00 0.00 61.79 60.89 3ham h SER 266 Cb 0.20 0.19 -0.01 0.00 0.14 0.00 0.00 62.40 62.92 3ham h SER 266 CO 0.01 -0.24 -0.28 0.40 -1.14 0.00 0.00 176.83 175.59 3ham h ILE 267 N -0.31 1.28 -0.46 3.27 2.04 -1.63 -2.46 117.51 119.23 3ham h ILE 267 Ca 0.03 -1.41 0.00 0.00 1.00 0.00 0.00 64.86 64.49 3ham h ILE 267 Cb 0.34 1.31 -0.02 0.00 -0.74 0.00 0.00 36.82 37.71 3ham h ILE 267 CO -0.11 0.46 0.30 0.44 0.00 0.00 0.00 178.15 179.24 3ham h ASP 268 N 0.63 0.54 -0.53 1.72 3.32 -1.23 -2.61 116.42 118.26 3ham h ASP 268 Ca 0.08 -0.02 -0.00 0.00 0.02 0.00 0.00 57.03 57.10 3ham h ASP 268 Cb 0.79 -0.13 -0.03 0.00 0.22 0.00 0.00 39.33 40.18 3ham h ASP 268 CO 0.07 0.40 0.33 1.56 -1.72 0.00 0.00 179.24 179.88 3ham h GLN 269 N 0.63 0.72 -0.44 3.56 4.20 -0.88 0.57 115.11 123.47 3ham h GLN 269 Ca 0.17 -0.05 -0.10 0.00 0.06 0.00 0.00 58.65 58.72 3ham h GLN 269 Cb -0.06 -0.16 -0.01 0.00 0.30 0.00 0.00 27.48 27.55 3ham h GLN 269 CO -0.04 0.50 -0.13 0.82 -0.67 0.00 0.00 178.83 179.32 3ham h ILE 270 N 0.74 1.27 0.21 2.54 2.04 -1.31 -1.00 117.51 122.01 3ham h ILE 270 Ca 0.20 -1.25 -0.01 0.00 1.00 0.00 0.00 64.86 64.79 3ham h ILE 270 Cb -0.04 1.18 0.00 0.00 -0.74 0.00 0.00 36.82 37.22 3ham h ILE 270 CO -0.04 0.43 -0.10 0.40 0.00 0.00 0.00 178.15 178.84 3ham h ILE 271 N 0.69 0.38 -0.88 -0.67 2.04 -1.05 -2.33 117.51 115.69 3ham h ILE 271 Ca 0.11 -0.96 0.07 0.00 1.00 0.00 0.00 64.86 65.07 3ham h ILE 271 Cb 0.68 0.67 -0.06 0.00 -0.74 0.00 0.00 36.82 37.36 3ham h ILE 271 CO 0.05 0.11 0.54 1.88 0.00 0.00 0.00 178.15 180.73 3ham h TYR 272 N -1.01 1.01 -0.19 1.37 0.99 -1.03 0.24 116.97 118.34 3ham h TYR 272 Ca -0.03 0.03 0.03 0.00 2.00 0.00 0.00 58.73 60.76 3ham h TYR 272 Cb 0.39 -0.32 -0.03 0.00 1.00 0.00 0.00 36.73 37.77 3ham h TYR 272 CO 0.04 0.50 0.00 0.78 -0.00 0.00 0.00 178.16 179.48 3ham h GLY 273 N 0.98 0.18 0.95 3.88 0.00 -1.24 0.46 103.07 108.28 3ham h GLY 273 Ca 0.39 0.02 -0.02 0.00 0.00 0.00 0.00 47.33 47.72 3ham h GLY 273 CO -0.19 -0.03 -0.22 -1.82 0.00 0.00 0.00 176.54 174.28 3ham h TYR 274 N 0.07 -0.57 -0.29 5.60 5.03 -0.89 0.83 116.97 126.74 3ham h TYR 274 Ca 0.09 -0.01 0.07 0.00 2.58 0.00 0.00 58.73 61.45 3ham h TYR 274 Cb 0.11 0.19 -0.07 0.00 1.55 0.00 0.00 36.73 38.51 3ham h TYR 274 CO -0.17 -0.33 -0.19 1.49 -1.32 0.00 0.00 178.16 177.64 3ham h GLU 275 N -0.67 -0.16 -0.02 1.82 4.81 -0.17 -2.16 114.58 118.02 3ham h GLU 275 Ca -0.06 0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.18 3ham h GLU 275 Cb 0.50 0.04 0.00 0.00 0.63 0.00 0.00 28.75 29.92 3ham h GLU 275 CO 0.10 -0.11 0.00 0.54 -0.73 0.00 0.00 179.01 178.82 3ham n ARG 276 N -5.35 1.23 -2.64 1.92 1.74 0.16 -4.90 116.66 108.81 3ham n ARG 276 Ca 0.00 -0.34 -0.14 0.00 -0.77 0.00 0.00 57.85 56.60 3ham n ARG 276 Cb 0.27 -1.44 0.02 0.00 -1.02 0.00 0.00 32.46 30.28 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 -0.55 -2.71 -3.61 5.56 5.02 -0.27 -4.99 118.16 116.61 3ham n LYS 277 Ca 0.20 0.60 -0.39 0.00 -2.02 0.00 0.00 58.31 56.70 3ham n LYS 277 Cb 0.18 -4.80 -0.08 0.00 -0.02 0.00 0.00 35.03 30.30 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 -2.72 5.62 0.03 4.39 3.68 0.27 -4.94 116.67 123.00 3ham s ASP 278 Ca 0.15 -2.38 0.27 0.00 2.13 0.00 0.00 52.55 52.73 3ham s ASP 278 Cb -0.07 -1.96 1.13 0.00 -1.45 0.00 0.00 42.92 40.57 3ham s ASP 278 CO 0.19 -0.54 1.86 0.54 0.13 0.00 0.00 175.17 177.35 3ham n ARG 279 N 4.22 0.03 0.05 4.34 5.12 -1.26 -2.02 116.66 127.14 3ham n ARG 279 Ca 0.02 0.05 -0.16 0.00 -1.93 0.00 0.00 57.85 55.83 3ham n ARG 279 Cb 0.41 -1.54 -0.07 0.00 -1.16 0.00 0.00 32.46 30.10 3ham n ARG 279 CO 0.00 0.00 0.00 0.93 -1.93 0.00 0.00 177.63 176.63 3ham h GLU 280 N 0.00 0.55 -0.08 5.56 5.08 -1.94 -1.97 114.58 121.79 3ham h GLU 280 Ca 0.00 -0.58 -0.05 0.00 -1.00 0.00 0.00 59.36 57.73 3ham h GLU 280 Cb 0.50 0.16 -0.00 0.00 0.50 0.00 0.00 28.75 29.91 3ham h GLU 280 CO 0.00 1.20 -0.13 1.98 -1.00 0.00 0.00 179.01 181.06 3ham h MET 281 N 0.32 0.22 -0.18 2.33 4.05 -1.84 -2.62 114.93 117.21 3ham h MET 281 Ca -0.10 -0.14 0.04 0.00 -0.28 0.00 0.00 59.70 59.22 3ham h MET 281 Cb 1.61 0.01 -0.07 0.00 -0.80 0.00 0.00 31.60 32.35 3ham h MET 281 CO 0.18 0.71 -0.51 1.25 0.23 0.00 0.00 176.91 178.76 3ham h LEU 282 N -0.24 -1.64 -1.40 3.39 6.46 -1.40 -0.22 115.31 120.24 3ham h LEU 282 Ca 0.01 0.20 -0.04 0.00 -0.12 0.00 0.00 57.88 57.93 3ham h LEU 282 Cb 0.69 0.65 -0.01 0.00 -0.73 0.00 0.00 40.66 41.26 3ham h LEU 282 CO 0.03 -0.46 -0.05 -0.29 -0.62 0.00 0.00 178.44 177.05 3ham h ILE 283 N -0.53 1.17 -0.17 4.05 6.09 -1.40 -1.28 117.51 125.45 3ham h ILE 283 Ca 0.05 -0.68 -0.02 0.00 -1.37 0.00 0.00 64.86 62.85 3ham h ILE 283 Cb 0.66 1.05 -0.01 0.00 0.47 0.00 0.00 36.82 39.00 3ham h ILE 283 CO -0.46 0.22 0.04 0.50 -3.07 0.00 0.00 178.15 175.39 3ham h LYS 284 N 0.32 0.26 -0.99 2.19 3.64 -1.04 -2.05 116.57 118.91 3ham h LYS 284 Ca 0.07 -0.06 0.14 0.00 -1.27 0.00 0.00 60.65 59.53 3ham h LYS 284 Cb 0.30 -0.04 -0.09 0.00 -0.41 0.00 0.00 32.23 31.99 3ham h LYS 284 CO 0.01 0.41 0.62 0.78 -2.27 0.00 0.00 179.45 179.00 3ham h GLY 285 N 0.08 1.61 1.02 5.01 0.00 -0.39 -2.08 103.07 108.32 3ham h GLY 285 Ca 0.05 -0.39 -0.06 0.00 0.00 0.00 0.00 47.33 46.93 3ham h GLY 285 CO 0.00 0.09 0.15 -2.08 0.00 0.00 0.00 176.54 174.71 3ham h VAL 286 N 0.89 1.25 0.32 4.60 2.07 -0.82 -2.01 116.25 122.54 3ham h VAL 286 Ca 0.51 -0.91 -0.00 0.00 0.82 0.00 0.00 66.70 67.12 3ham h VAL 286 Cb 0.63 0.66 -0.02 0.00 -1.52 0.00 0.00 31.29 31.05 3ham h VAL 286 CO -0.28 0.34 -0.29 0.28 0.02 0.00 0.00 177.57 177.64 3ham h SER 287 N 0.90 -0.76 -0.72 0.57 0.02 -0.77 -2.81 113.55 109.99 3ham h SER 287 Ca 0.19 0.06 0.00 0.00 -0.84 0.00 0.00 61.79 61.21 3ham h SER 287 Cb 0.35 0.25 -0.04 0.00 0.14 0.00 0.00 62.40 63.11 3ham h SER 287 CO 0.00 -0.42 0.45 -0.33 -1.14 0.00 0.00 176.83 175.40 3ham h GLU 288 N -0.62 0.97 -0.43 3.45 5.08 -1.25 -2.31 114.58 119.47 3ham h GLU 288 Ca -0.02 -0.07 -0.02 0.00 -1.00 0.00 0.00 59.36 58.25 3ham h GLU 288 Cb 0.56 -0.21 -0.02 0.00 0.50 0.00 0.00 28.75 29.58 3ham h GLU 288 CO -0.04 0.66 0.19 1.25 -1.00 0.00 0.00 179.01 180.07 3ham h LEU 289 N 0.99 0.57 0.00 1.33 5.85 -1.34 -1.47 115.31 121.24 3ham h LEU 289 Ca 0.26 -0.15 0.00 0.00 0.84 0.00 0.00 57.88 58.84 3ham h LEU 289 Cb -0.07 -0.15 0.00 0.00 0.37 0.00 0.00 40.66 40.81 3ham h LEU 289 CO -0.05 0.56 0.00 0.18 -0.34 0.00 0.00 178.44 178.79 3ham n LEU 290 N -4.65 0.00 -0.00 2.25 4.77 -0.88 -2.72 117.00 115.77 3ham n LEU 290 Ca 0.00 0.35 0.03 0.00 -0.03 0.00 0.00 56.01 56.37 3ham n LEU 290 Cb 0.13 -0.35 -0.04 0.00 -2.33 0.00 0.00 43.42 40.82 3ham n LEU 290 CO 0.37 -0.20 -0.18 0.00 -1.33 0.00 0.00 177.39 176.06 3ham n GLN 291 N -1.35 3.50 -2.59 3.23 6.02 -0.82 -4.96 117.38 120.40 3ham n GLN 291 Ca 0.05 -0.02 -0.42 0.00 -0.01 0.00 0.00 57.00 56.60 3ham n GLN 291 Cb 0.12 -0.91 -0.03 0.00 1.02 0.00 0.00 30.24 30.44 3ham n GLN 291 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 177.06 177.04 3ham s THR 292 N -1.87 4.55 0.16 5.09 2.01 -0.62 -5.03 115.64 119.94 3ham s THR 292 Ca 0.01 1.84 -0.33 0.00 0.31 0.00 0.00 61.69 63.53 3ham s THR 292 Cb 0.05 -4.18 -0.12 0.00 0.01 0.00 0.00 72.50 68.25 3ham s THR 292 CO 0.28 0.04 1.71 0.00 -0.69 0.00 0.00 174.62 175.95 3ham n GLN 293 N 4.79 2.55 -0.11 4.92 6.02 -1.26 -4.87 117.38 129.41 3ham n GLN 293 Ca 0.09 0.92 0.20 0.00 -0.01 0.00 0.00 57.00 58.21 3ham n GLN 293 Cb 0.48 -2.75 0.62 0.00 1.02 0.00 0.00 30.24 29.61 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 6.94 2.43 0.00 -1.58 0.00 -1.93 -1.62 119.26 123.49 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 1.23 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.02 3ham h ALA 294 CO 0.93 -0.63 0.00 1.05 0.00 0.00 0.00 179.25 180.60 3ham h GLU 295 N 0.17 0.00 0.00 0.00 4.11 -1.96 -2.65 114.58 114.25 3ham h GLU 295 Ca 0.35 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.78 3ham h GLU 295 Cb 1.13 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.38 3ham h GLU 295 CO -0.06 0.00 0.00 -0.12 0.07 0.00 0.00 179.01 178.90 3ham n MET 296 N -2.59 0.05 0.00 1.06 1.56 -0.61 -0.80 117.12 115.79 3ham n MET 296 Ca 0.03 0.30 0.12 0.00 -0.27 0.00 0.00 57.70 57.87 3ham n MET 296 Cb 0.34 -1.50 0.19 0.00 2.15 0.00 0.00 33.22 34.40 3ham n MET 296 CO 0.00 0.00 0.00 1.19 -0.73 0.00 0.00 175.97 176.43 3ham n PHE 297 N -1.41 0.00 -2.48 1.12 3.01 -1.00 -4.90 117.46 111.80 3ham n PHE 297 Ca 0.03 0.00 -0.42 0.00 1.01 0.00 0.00 57.45 58.07 3ham n PHE 297 Cb 0.08 -0.20 -0.03 0.00 -0.01 0.00 0.00 39.48 39.32 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 -2.99 4.11 -0.97 4.37 1.01 0.02 -4.44 121.20 122.31 3ham s ILE 298 Ca 0.11 1.58 0.00 0.00 0.00 0.00 0.00 60.65 62.34 3ham s ILE 298 Cb 0.17 -4.01 0.00 0.00 0.01 0.00 0.00 42.46 38.63 3ham s ILE 298 CO 0.72 0.16 0.24 0.33 0.00 0.00 0.00 174.94 176.39