#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3fds s VAL 2 N 0.00 3.32 -0.06 1.12 1.01 -1.26 -3.04 120.40 121.49 3fds s VAL 2 Ca 0.00 -0.57 -0.00 0.00 0.00 0.00 0.00 61.98 61.41 3fds s VAL 2 Cb 0.00 -2.42 0.03 0.00 0.00 0.00 0.00 36.38 33.99 3fds s VAL 2 CO 0.00 0.52 -0.01 -0.75 0.00 0.00 0.00 175.10 174.85 3fds s LYS 3 N 0.34 0.64 0.00 2.72 2.20 0.09 -1.47 119.74 124.27 3fds s LYS 3 Ca -0.09 0.04 0.04 0.00 -0.36 0.00 0.00 55.97 55.60 3fds s LYS 3 Cb -0.15 -0.87 -0.01 0.00 -1.51 0.00 0.00 37.83 35.28 3fds s LYS 3 CO 0.05 -0.21 -0.12 0.42 -0.36 0.00 0.00 175.35 175.13 3fds s ILE 4 N 1.52 0.93 -0.22 5.43 1.01 0.19 -0.78 121.20 129.29 3fds s ILE 4 Ca -0.02 -0.63 0.01 0.00 0.00 0.00 0.00 60.65 60.01 3fds s ILE 4 Cb -0.13 -0.80 0.05 0.00 0.01 0.00 0.00 42.46 41.59 3fds s ILE 4 CO -0.03 0.17 -0.06 -0.69 0.00 0.00 0.00 174.94 174.32 3fds s VAL 5 N -0.45 1.49 -0.06 2.92 1.01 -0.03 -0.87 120.40 124.42 3fds s VAL 5 Ca 0.03 -1.09 -0.23 0.00 0.00 0.00 0.00 61.98 60.70 3fds s VAL 5 Cb -0.05 -1.70 -0.04 0.00 0.00 0.00 0.00 36.38 34.58 3fds s VAL 5 CO 0.00 -0.01 0.67 -0.31 0.00 0.00 0.00 175.10 175.45 3fds s TYR 6 N 1.43 3.58 -0.76 5.22 1.51 -0.38 -0.17 117.35 127.79 3fds s TYR 6 Ca -0.04 1.21 0.26 0.00 -1.01 0.00 0.00 57.07 57.49 3fds s TYR 6 Cb -0.18 -2.76 0.92 0.00 -0.11 0.00 0.00 41.96 39.83 3fds s TYR 6 CO -0.07 0.12 1.78 -0.35 -1.11 0.00 0.00 175.55 175.92 3fds n PRO 7 N 3.66 0.18 -3.60 -1.71 -0.04 -1.26 -1.92 135.00 130.30 3fds n PRO 7 Ca -0.02 0.21 -0.29 0.00 -0.04 0.00 0.00 63.50 63.35 3fds n PRO 7 Cb 0.51 -1.74 -0.13 0.00 -0.04 0.00 0.00 33.50 32.10 3fds n PRO 7 CO 0.00 0.00 0.00 1.21 -0.04 0.00 0.00 175.50 176.67 3fds s ASN 8 N -4.09 3.48 0.33 3.54 3.84 -1.26 -4.60 114.94 116.20 3fds s ASN 8 Ca 0.10 -2.04 0.02 0.00 0.21 0.00 0.00 52.86 51.15 3fds s ASN 8 Cb 0.13 -0.67 0.58 0.00 -0.55 0.00 0.00 41.25 40.75 3fds s ASN 8 CO 0.53 -0.34 1.97 0.00 -2.79 0.00 0.00 177.10 176.46 3fds h ALA 9 N 7.40 1.47 -0.34 1.71 0.00 -1.47 -2.65 119.26 125.38 3fds h ALA 9 Ca -0.04 -0.09 0.05 0.00 0.00 0.00 0.00 54.91 54.83 3fds h ALA 9 Cb 0.97 -0.24 -0.05 0.00 0.00 0.00 0.00 17.79 18.47 3fds h ALA 9 CO 0.40 0.45 0.05 -0.22 0.00 0.00 0.00 179.25 179.93 3fds h LYS 10 N 0.83 0.16 -0.48 0.00 3.64 -1.81 -1.80 116.57 117.11 3fds h LYS 10 Ca 0.21 -0.01 -0.06 0.00 -1.27 0.00 0.00 60.65 59.52 3fds h LYS 10 Cb 0.01 -0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 31.77 3fds h LYS 10 CO -0.04 0.11 0.05 -0.44 -2.27 0.00 0.00 179.45 176.86 3fds h ASP 11 N 0.17 0.72 -0.04 4.20 3.32 -1.84 -1.59 116.42 121.35 3fds h ASP 11 Ca 0.16 -0.15 0.03 0.00 0.02 0.00 0.00 57.03 57.09 3fds h ASP 11 Cb 0.19 -0.19 -0.04 0.00 0.22 0.00 0.00 39.33 39.51 3fds h ASP 11 CO -0.22 0.76 -0.16 0.15 -1.72 0.00 0.00 179.24 178.05 3fds h PHE 12 N 0.72 -0.41 -0.91 4.55 3.57 -1.05 -0.50 116.94 122.91 3fds h PHE 12 Ca 0.15 0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.66 3fds h PHE 12 Cb 0.37 0.19 -0.04 0.00 2.79 0.00 0.00 35.95 39.26 3fds h PHE 12 CO 0.02 -0.23 0.56 0.74 -2.23 0.00 0.00 178.31 177.17 3fds h PHE 13 N -0.24 1.19 -0.86 0.41 0.04 -1.23 -2.32 116.94 113.94 3fds h PHE 13 Ca 0.06 0.00 0.05 0.00 2.80 0.00 0.00 57.97 60.89 3fds h PHE 13 Cb 0.33 -0.39 -0.06 0.00 2.20 0.00 0.00 35.95 38.03 3fds h PHE 13 CO -0.23 0.79 0.54 0.77 -0.60 0.00 0.00 178.31 179.58 3fds h SER 14 N 1.25 0.87 0.02 2.17 0.02 -0.65 -0.66 113.55 116.57 3fds h SER 14 Ca 0.33 0.01 -0.00 0.00 -0.84 0.00 0.00 61.79 61.28 3fds h SER 14 Cb -0.07 -0.18 0.00 0.00 0.14 0.00 0.00 62.40 62.30 3fds h SER 14 CO -0.06 0.58 -0.01 -0.26 -1.14 0.00 0.00 176.83 175.93 3fds h PHE 15 N 1.02 -0.02 -0.21 3.45 -1.00 -0.79 -0.29 116.94 119.09 3fds h PHE 15 Ca 0.36 -0.00 0.04 0.00 2.81 0.00 0.00 57.97 61.18 3fds h PHE 15 Cb 0.10 0.01 -0.04 0.00 3.61 0.00 0.00 35.95 39.63 3fds h PHE 15 CO -0.03 0.18 -0.07 0.82 -1.61 0.00 0.00 178.31 177.61 3fds h ILE 16 N -0.23 0.76 -0.39 -0.55 1.08 -1.31 -1.77 117.51 115.10 3fds h ILE 16 Ca -0.00 0.00 -0.05 0.00 -0.39 0.00 0.00 64.86 64.41 3fds h ILE 16 Cb 0.22 0.76 -0.02 0.00 -3.07 0.00 0.00 36.82 34.71 3fds h ILE 16 CO 0.00 0.00 0.02 -1.13 -0.69 0.00 0.00 178.15 176.35 3fds h ASN 17 N -0.02 0.58 -0.55 1.72 -1.24 -1.06 -2.81 115.58 112.20 3fds h ASN 17 Ca 0.11 -0.11 -0.04 0.00 0.71 0.00 0.00 56.30 56.96 3fds h ASN 17 Cb 0.18 -0.15 -0.02 0.00 0.73 0.00 0.00 38.32 39.05 3fds h ASN 17 CO -0.23 0.64 0.18 -1.28 -1.29 0.00 0.00 177.43 175.45 3fds h SER 18 N 0.59 0.80 0.14 1.15 0.87 -0.53 -2.68 113.55 113.89 3fds h SER 18 Ca 0.12 -0.20 -0.03 0.00 -1.23 0.00 0.00 61.79 60.45 3fds h SER 18 Cb 0.35 -0.21 -0.00 0.00 -0.44 0.00 0.00 62.40 62.10 3fds h SER 18 CO 0.01 0.79 -0.14 0.40 -0.53 0.00 0.00 176.83 177.36 3fds h ILE 19 N 0.76 1.10 0.00 2.23 2.04 -1.09 -1.94 117.51 120.62 3fds h ILE 19 Ca 0.18 -0.48 -0.00 0.00 1.00 0.00 0.00 64.86 65.55 3fds h ILE 19 Cb 0.27 1.26 -0.00 0.00 -0.74 0.00 0.00 36.82 37.61 3fds h ILE 19 CO -0.01 0.14 -0.01 0.74 0.00 0.00 0.00 178.15 179.01 3fds h THR 20 N 0.00 0.11 0.00 -0.27 2.02 -1.32 -1.23 112.91 112.22 3fds h THR 20 Ca -0.00 -0.19 0.00 0.00 0.77 0.00 0.00 66.41 66.99 3fds h THR 20 Cb 0.25 1.16 0.00 0.00 -1.74 0.00 0.00 68.15 67.82 3fds h THR 20 CO 0.02 0.01 0.00 0.59 0.37 0.00 0.00 175.52 176.51 3fds n ASN 21 N -3.21 0.00 0.00 4.18 4.13 -0.73 -3.64 115.26 116.00 3fds n ASN 21 Ca -0.02 0.50 0.00 0.00 1.68 0.00 0.00 54.58 56.74 3fds n ASN 21 Cb 0.15 -0.50 0.00 0.00 -1.54 0.00 0.00 39.78 37.89 3fds n ASN 21 CO 0.00 0.00 0.00 0.52 0.28 0.00 0.00 177.26 178.06 3fds n VAL 22 N -1.50 0.00 -3.96 2.41 0.31 -0.48 -4.92 118.33 110.20 3fds n VAL 22 Ca 0.02 0.00 -0.09 0.00 -0.01 0.00 0.00 64.34 64.26 3fds n VAL 22 Cb 0.08 -0.56 -0.10 0.00 -0.91 0.00 0.00 33.84 32.35 3fds n VAL 22 CO 0.00 0.00 0.00 -0.89 -1.32 0.00 0.00 176.83 174.62 3fds s THR 23 N -1.83 0.14 -0.01 2.52 2.01 -1.15 -4.29 115.64 113.03 3fds s THR 23 Ca 0.00 -1.13 0.11 0.00 0.31 0.00 0.00 61.69 60.98 3fds s THR 23 Cb 0.00 -0.83 -0.13 0.00 0.01 0.00 0.00 72.50 71.55 3fds s THR 23 CO 0.00 -0.63 1.19 0.44 -0.69 0.00 0.00 174.62 174.93 3fds h ASP 24 N 3.81 0.00 -3.57 3.53 3.45 -1.90 -3.37 116.42 118.37 3fds h ASP 24 Ca -0.33 0.00 -0.67 0.00 0.43 0.00 0.00 57.03 56.47 3fds h ASP 24 Cb 1.18 0.00 -0.16 0.00 -0.56 0.00 0.00 39.33 39.79 3fds h ASP 24 CO 0.50 0.81 -0.71 -0.94 -1.57 0.00 0.00 179.24 177.33 3fds s SER 25 N -6.45 4.59 -0.06 6.45 1.04 -1.26 -4.15 113.70 113.85 3fds s SER 25 Ca 0.01 -0.23 0.04 0.00 0.48 0.00 0.00 55.95 56.25 3fds s SER 25 Cb 0.09 -1.01 -0.00 0.00 0.10 0.00 0.00 66.02 65.20 3fds s SER 25 CO 0.80 0.24 -0.19 -0.63 0.98 0.00 0.00 173.24 174.43 3fds s ILE 26 N -1.10 1.61 -0.22 -1.02 1.01 -0.28 -4.99 121.20 116.21 3fds s ILE 26 Ca 0.20 -0.80 -0.05 0.00 0.00 0.00 0.00 60.65 59.99 3fds s ILE 26 Cb -0.11 -1.39 -0.02 0.00 0.01 0.00 0.00 42.46 40.95 3fds s ILE 26 CO 0.11 0.46 0.01 -0.63 0.00 0.00 0.00 174.94 174.89 3fds s ILE 27 N 0.12 3.89 -0.11 2.92 1.01 -1.26 -0.10 121.20 127.67 3fds s ILE 27 Ca -0.07 -0.32 -0.15 0.00 0.00 0.00 0.00 60.65 60.11 3fds s ILE 27 Cb -0.13 -2.79 -0.05 0.00 0.01 0.00 0.00 42.46 39.50 3fds s ILE 27 CO 0.04 0.39 0.35 -0.76 0.00 0.00 0.00 174.94 174.96 3fds s LEU 28 N 1.39 4.32 -0.16 2.97 1.43 -0.46 -4.41 118.68 123.75 3fds s LEU 28 Ca 0.05 0.69 -0.01 0.00 -1.03 0.00 0.00 54.13 53.82 3fds s LEU 28 Cb -0.15 -2.48 -0.01 0.00 0.03 0.00 0.00 46.19 43.59 3fds s LEU 28 CO 0.01 0.15 -0.10 0.20 0.23 0.00 0.00 176.35 176.84 3fds s ASN 29 N 0.02 4.08 -0.42 2.29 0.01 0.20 -0.91 114.94 120.22 3fds s ASN 29 Ca 0.20 -0.36 -0.11 0.00 -0.71 0.00 0.00 52.86 51.88 3fds s ASN 29 Cb -0.14 -1.65 0.06 0.00 0.41 0.00 0.00 41.25 39.92 3fds s ASN 29 CO 0.08 0.10 0.27 -0.36 -1.51 0.00 0.00 177.10 175.68 3fds s PHE 30 N 0.77 3.28 0.27 2.20 0.40 0.27 -1.93 117.98 123.24 3fds s PHE 30 Ca -0.04 -1.16 0.01 0.00 -0.60 0.00 0.00 56.93 55.14 3fds s PHE 30 Cb -0.15 -2.81 0.01 0.00 0.51 0.00 0.00 43.02 40.58 3fds s PHE 30 CO 0.01 -0.76 0.07 0.25 0.70 0.00 0.00 175.22 175.50 3fds n THR 31 N 5.02 0.00 0.18 0.64 -2.24 -0.32 -1.46 114.28 116.10 3fds n THR 31 Ca -0.11 -1.19 0.05 0.00 -2.27 0.00 0.00 64.05 60.52 3fds n THR 31 Cb 0.44 0.08 0.30 0.00 -2.10 0.00 0.00 70.33 69.05 3fds n THR 31 CO 0.00 0.00 0.00 -0.08 -0.57 0.00 0.00 175.07 174.42 3fds h GLU 32 N 0.00 0.00 0.00 -0.78 4.57 -1.97 -3.18 114.58 113.22 3fds h GLU 32 Ca -0.20 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 57.98 3fds h GLU 32 Cb 0.65 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.24 3fds h GLU 32 CO 0.33 0.41 -0.86 -0.25 -1.18 0.00 0.00 179.01 177.46 3fds n ASP 33 N -3.55 0.66 0.00 1.04 8.00 -1.26 -4.95 116.55 116.50 3fds n ASP 33 Ca -0.00 -0.02 0.00 0.00 0.71 0.00 0.00 54.79 55.48 3fds n ASP 33 Cb 0.53 0.51 0.00 0.00 -0.02 0.00 0.00 41.12 42.14 3fds n ASP 33 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3fds n GLY 34 N 1.34 0.62 3.64 0.44 0.00 -1.20 -1.39 105.19 108.64 3fds n GLY 34 Ca 0.02 -1.52 -0.34 0.00 0.00 0.00 0.00 46.02 44.19 3fds n GLY 34 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3fds s ILE 35 N -3.99 4.02 0.06 -0.61 1.01 0.44 -1.17 121.20 120.96 3fds s ILE 35 Ca 0.00 -0.44 -0.10 0.00 0.00 0.00 0.00 60.65 60.10 3fds s ILE 35 Cb 0.00 -2.70 0.01 0.00 0.01 0.00 0.00 42.46 39.78 3fds s ILE 35 CO 0.00 0.54 0.22 0.72 0.00 0.00 0.00 174.94 176.42 3fds s PHE 36 N -0.91 0.04 0.00 3.97 -0.71 -0.81 0.29 117.98 119.86 3fds s PHE 36 Ca 0.15 -0.33 0.01 0.00 -1.04 0.00 0.00 56.93 55.71 3fds s PHE 36 Cb -0.11 -0.00 -0.00 0.00 -1.21 0.00 0.00 43.02 41.69 3fds s PHE 36 CO 0.04 -0.50 -0.02 0.45 -1.34 0.00 0.00 175.22 173.85 3fds s SER 37 N -2.40 0.24 -0.15 1.98 0.15 -0.30 -0.63 113.70 112.60 3fds s SER 37 Ca -0.01 -0.10 -0.04 0.00 0.70 0.00 0.00 55.95 56.49 3fds s SER 37 Cb 0.01 -0.01 0.07 0.00 -1.71 0.00 0.00 66.02 64.39 3fds s SER 37 CO -0.07 -0.02 0.24 -0.60 1.20 0.00 0.00 173.24 173.99 3fds s ARG 38 N -0.26 0.14 0.02 5.44 3.52 -1.26 -0.54 118.95 126.03 3fds s ARG 38 Ca -0.01 0.55 0.02 0.00 -0.13 0.00 0.00 55.73 56.16 3fds s ARG 38 Cb -0.02 -0.43 -0.02 0.00 -1.56 0.00 0.00 34.95 32.92 3fds s ARG 38 CO -0.00 -0.41 -0.07 -1.01 -0.81 0.00 0.00 175.30 172.99 3fds s HIS 39 N 2.37 0.65 0.14 5.12 3.76 -0.40 -4.94 115.29 121.99 3fds s HIS 39 Ca 0.04 -0.33 0.08 0.00 -0.15 0.00 0.00 55.06 54.69 3fds s HIS 39 Cb -0.13 -0.40 -0.04 0.00 1.11 0.00 0.00 32.58 33.12 3fds s HIS 39 CO -0.09 -0.04 -0.19 -0.51 -0.85 0.00 0.00 174.74 173.06 3fds s LEU 40 N -1.00 2.40 0.89 0.89 1.02 -1.26 -0.76 118.68 120.85 3fds s LEU 40 Ca -0.04 -0.81 -0.11 0.00 0.02 0.00 0.00 54.13 53.19 3fds s LEU 40 Cb -0.07 -0.82 0.12 0.00 0.02 0.00 0.00 46.19 45.45 3fds s LEU 40 CO 0.00 -0.02 1.10 0.42 0.02 0.00 0.00 176.35 177.87 3fds s THR 41 N -1.81 2.67 0.28 5.49 -4.23 -0.57 -4.87 115.64 112.61 3fds s THR 41 Ca 0.12 0.22 0.00 0.00 -1.18 0.00 0.00 61.69 60.86 3fds s THR 41 Cb -0.07 -2.55 0.28 0.00 1.34 0.00 0.00 72.50 71.50 3fds s THR 41 CO 0.06 -0.29 1.86 -0.08 -0.54 0.00 0.00 174.62 175.63 3fds h GLU 42 N -1.59 1.03 -0.00 3.99 4.81 -1.92 0.12 114.58 121.01 3fds h GLU 42 Ca -0.47 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 58.70 3fds h GLU 42 Cb 1.27 -0.23 0.00 0.00 0.63 0.00 0.00 28.75 30.42 3fds h GLU 42 CO 0.50 0.68 -0.01 -0.40 -0.73 0.00 0.00 179.01 179.05 3fds n ASP 43 N -4.56 0.23 -0.56 1.04 5.68 -1.26 -4.90 116.55 112.21 3fds n ASP 43 Ca 0.17 -0.88 -0.07 0.00 -0.50 0.00 0.00 54.79 53.51 3fds n ASP 43 Cb 0.29 -0.05 -0.03 0.00 -1.14 0.00 0.00 41.12 40.18 3fds n ASP 43 CO 0.00 0.00 0.00 0.29 -1.33 0.00 0.00 177.20 176.16 3fds n LYS 44 N -0.90 -1.00 0.09 0.11 5.02 0.40 -4.87 118.16 117.01 3fds n LYS 44 Ca 0.21 0.67 0.00 0.00 -2.02 0.00 0.00 58.31 57.18 3fds n LYS 44 Cb 0.18 -4.64 -0.03 0.00 -0.02 0.00 0.00 35.03 30.52 3fds n LYS 44 CO 0.00 0.00 0.00 -0.39 -0.52 0.00 0.00 177.40 176.49 3fds h VAL 45 N 0.00 0.85 -3.40 -0.18 -1.51 -1.91 -3.45 116.25 106.65 3fds h VAL 45 Ca -0.15 -2.29 -0.57 0.00 -1.23 0.00 0.00 66.70 62.46 3fds h VAL 45 Cb 0.72 2.35 -0.33 0.00 -2.13 0.00 0.00 31.29 31.90 3fds h VAL 45 CO 0.22 0.48 -0.84 -0.22 -1.23 0.00 0.00 177.57 175.99 3fds s LEU 46 N -6.27 1.79 -0.02 4.19 2.96 -1.26 -0.54 118.68 119.53 3fds s LEU 46 Ca 0.01 -0.38 0.07 0.00 -0.22 0.00 0.00 54.13 53.61 3fds s LEU 46 Cb 0.08 -1.02 -0.02 0.00 0.50 0.00 0.00 46.19 45.74 3fds s LEU 46 CO 0.78 0.08 -0.23 -0.32 -1.32 0.00 0.00 176.35 175.33 3fds s MET 47 N 0.55 1.99 -0.10 1.98 -2.45 -0.22 -1.51 119.30 119.53 3fds s MET 47 Ca -0.16 -0.83 -0.00 0.00 -1.25 0.00 0.00 55.69 53.44 3fds s MET 47 Cb -0.16 -1.87 -0.02 0.00 1.25 0.00 0.00 34.83 34.02 3fds s MET 47 CO 0.05 0.47 -0.09 0.00 1.05 0.00 0.00 175.02 176.51 3fds s ALA 48 N -0.46 2.84 -0.07 4.11 0.00 0.06 -1.35 121.76 126.88 3fds s ALA 48 Ca 0.07 -0.88 0.01 0.00 0.00 0.00 0.00 51.96 51.15 3fds s ALA 48 Cb -0.10 -1.27 0.02 0.00 0.00 0.00 0.00 23.12 21.78 3fds s ALA 48 CO -0.00 0.39 -0.07 0.42 0.00 0.00 0.00 175.76 176.50 3fds s ILE 49 N -0.18 0.79 -0.22 0.00 1.01 0.93 -1.28 121.20 122.25 3fds s ILE 49 Ca 0.02 -0.23 -0.07 0.00 0.00 0.00 0.00 60.65 60.37 3fds s ILE 49 Cb -0.13 -0.80 -0.03 0.00 0.01 0.00 0.00 42.46 41.51 3fds s ILE 49 CO 0.03 0.30 0.06 -0.32 0.00 0.00 0.00 174.94 175.00 3fds s MET 50 N 1.16 3.75 -0.15 2.79 -2.45 0.30 -0.49 119.30 124.21 3fds s MET 50 Ca -0.06 -0.44 0.01 0.00 -1.25 0.00 0.00 55.69 53.94 3fds s MET 50 Cb -0.14 -3.25 0.02 0.00 1.25 0.00 0.00 34.83 32.71 3fds s MET 50 CO -0.01 -0.01 -0.17 1.03 1.05 0.00 0.00 175.02 176.90 3fds s ARG 51 N 1.12 2.62 -0.32 4.11 0.52 -0.30 -1.15 118.95 125.55 3fds s ARG 51 Ca 0.04 -0.69 0.02 0.00 -0.52 0.00 0.00 55.73 54.58 3fds s ARG 51 Cb -0.14 -2.27 0.09 0.00 0.52 0.00 0.00 34.95 33.15 3fds s ARG 51 CO 0.03 -0.17 0.05 0.42 0.02 0.00 0.00 175.30 175.65 3fds s ILE 52 N 1.25 1.81 0.38 1.52 1.01 0.15 -0.72 121.20 126.59 3fds s ILE 52 Ca 0.02 -1.94 -0.27 0.00 0.00 0.00 0.00 60.65 58.45 3fds s ILE 52 Cb -0.14 -2.30 -0.09 0.00 0.01 0.00 0.00 42.46 39.94 3fds s ILE 52 CO -0.09 -0.55 1.34 -2.84 0.00 0.00 0.00 174.94 172.81 3fds s PRO 53 N 1.16 4.08 0.57 2.79 0.02 -1.26 -0.42 135.00 141.94 3fds s PRO 53 Ca 0.08 2.26 0.29 0.00 0.02 0.00 0.00 61.00 63.66 3fds s PRO 53 Cb -0.19 -2.87 1.71 0.00 0.02 0.00 0.00 34.50 33.17 3fds s PRO 53 CO -0.13 -0.44 2.19 1.57 -0.33 0.00 0.00 177.00 179.87 3fds h LYS 54 N 2.90 0.00 0.00 5.54 2.10 -1.59 -2.29 116.57 123.24 3fds h LYS 54 Ca -0.50 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.15 3fds h LYS 54 Cb 1.24 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.57 3fds h LYS 54 CO 0.63 0.04 0.00 -0.40 -2.00 0.00 0.00 179.45 177.73 3fds n ASP 55 N -3.75 0.00 -0.07 7.07 5.75 -1.26 -1.72 116.55 122.56 3fds n ASP 55 Ca -0.03 0.32 0.08 0.00 -0.01 0.00 0.00 54.79 55.15 3fds n ASP 55 Cb 0.14 -0.40 -0.07 0.00 -1.03 0.00 0.00 41.12 39.76 3fds n ASP 55 CO 0.00 0.00 0.00 1.33 -0.11 0.00 0.00 177.20 178.42 3fds n VAL 56 N -1.40 0.00 -2.65 2.12 0.24 -0.86 -4.96 118.33 110.83 3fds n VAL 56 Ca 0.04 -0.17 -0.37 0.00 -2.04 0.00 0.00 64.34 61.80 3fds n VAL 56 Cb 0.11 1.04 -0.05 0.00 -1.47 0.00 0.00 33.84 33.47 3fds n VAL 56 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 3fds s LEU 57 N -2.60 4.25 0.25 1.34 2.01 -0.70 -4.63 118.68 118.60 3fds s LEU 57 Ca 0.07 1.96 -0.03 0.00 0.01 0.00 0.00 54.13 56.15 3fds s LEU 57 Cb 0.12 -4.08 0.29 0.00 0.01 0.00 0.00 46.19 42.53 3fds s LEU 57 CO 0.59 -0.28 1.73 0.28 1.01 0.00 0.00 176.35 179.69 3fds h SER 58 N 2.87 0.80 -3.90 2.29 0.02 -0.85 -3.44 113.55 111.34 3fds h SER 58 Ca -0.48 -0.21 -0.13 0.00 -0.84 0.00 0.00 61.79 60.14 3fds h SER 58 Cb 1.20 -0.21 -0.24 0.00 0.14 0.00 0.00 62.40 63.29 3fds h SER 58 CO 0.64 0.87 -0.29 -0.70 -1.14 0.00 0.00 176.83 176.21 3fds s GLU 59 N -4.95 0.43 -0.19 3.45 2.12 -1.15 -4.95 118.70 113.46 3fds s GLU 59 Ca -0.10 0.49 -0.07 0.00 0.36 0.00 0.00 54.97 55.65 3fds s GLU 59 Cb 0.14 0.21 0.09 0.00 0.26 0.00 0.00 34.13 34.83 3fds s GLU 59 CO 0.82 -0.05 0.41 -0.47 -0.54 0.00 0.00 175.26 175.42 3fds s TYR 60 N 0.15 -0.76 -0.05 5.30 5.04 -1.26 -0.85 117.35 124.92 3fds s TYR 60 Ca -0.00 1.48 -0.02 0.00 -2.44 0.00 0.00 57.07 56.08 3fds s TYR 60 Cb -0.03 0.28 0.03 0.00 0.35 0.00 0.00 41.96 42.60 3fds s TYR 60 CO 0.01 -0.47 0.09 -1.12 -1.34 0.00 0.00 175.55 172.72 3fds s SER 61 N 2.55 0.94 0.20 4.32 0.01 0.04 -5.02 113.70 116.74 3fds s SER 61 Ca -0.02 0.15 0.09 0.00 1.31 0.00 0.00 55.95 57.48 3fds s SER 61 Cb -0.12 -0.02 -0.04 0.00 0.21 0.00 0.00 66.02 66.05 3fds s SER 61 CO -0.12 -0.24 -0.17 0.27 0.41 0.00 0.00 173.24 173.38 3fds s ILE 62 N 2.11 1.93 -0.13 1.44 -4.36 -1.26 -0.73 121.20 120.20 3fds s ILE 62 Ca 0.03 -2.11 -0.09 0.00 -0.26 0.00 0.00 60.65 58.23 3fds s ILE 62 Cb -0.12 -2.00 -0.03 0.00 1.25 0.00 0.00 42.46 41.56 3fds s ILE 62 CO -0.04 -0.42 -0.17 0.47 0.24 0.00 0.00 174.94 175.02 3fds n ASP 63 N -0.10 1.62 -4.36 4.36 9.92 -1.17 -4.98 116.55 121.84 3fds n ASP 63 Ca -0.10 0.57 -0.27 0.00 -0.53 0.00 0.00 54.79 54.47 3fds n ASP 63 Cb 0.59 -0.82 -0.13 0.00 -0.64 0.00 0.00 41.12 40.12 3fds n ASP 63 CO 0.00 0.00 0.00 -0.44 0.13 0.00 0.00 177.20 176.89 3fds s SER 64 N -5.51 3.06 0.29 -2.24 0.01 -1.26 -5.09 113.70 102.96 3fds s SER 64 Ca -0.14 -0.76 -0.30 0.00 1.31 0.00 0.00 55.95 56.06 3fds s SER 64 Cb 0.02 -0.20 -0.12 0.00 0.21 0.00 0.00 66.02 65.93 3fds s SER 64 CO 0.21 0.12 1.48 -2.65 0.41 0.00 0.00 173.24 172.81 3fds n PRO 65 N 0.81 2.40 -3.72 12.44 -0.02 -1.26 -4.96 135.00 140.70 3fds n PRO 65 Ca -0.17 0.85 -0.14 0.00 -2.02 0.00 0.00 63.50 62.02 3fds n PRO 65 Cb 0.54 -2.56 -0.09 0.00 -0.02 0.00 0.00 33.50 31.37 3fds n PRO 65 CO 0.00 0.00 0.00 -0.08 1.98 0.00 0.00 175.50 177.40 3fds s THR 66 N -0.26 0.03 0.17 3.45 -1.32 -0.54 -4.44 115.64 112.73 3fds s THR 66 Ca 0.63 -0.25 0.07 0.00 -1.21 0.00 0.00 61.69 60.93 3fds s THR 66 Cb -0.56 -0.66 -0.04 0.00 -1.51 0.00 0.00 72.50 69.73 3fds s THR 66 CO 0.52 -0.14 0.00 -0.94 -2.21 0.00 0.00 174.62 171.85 3fds s SER 67 N -0.81 4.80 -0.08 8.08 1.04 -1.26 -0.56 113.70 124.90 3fds s SER 67 Ca -0.09 -0.38 -0.01 0.00 0.48 0.00 0.00 55.95 55.96 3fds s SER 67 Cb -0.04 -1.03 0.03 0.00 0.10 0.00 0.00 66.02 65.08 3fds s SER 67 CO 0.04 0.10 -0.02 -0.69 0.98 0.00 0.00 173.24 173.64 3fds s VAL 68 N -1.69 0.59 -0.25 5.02 1.01 -0.09 0.21 120.40 125.19 3fds s VAL 68 Ca 0.27 -0.02 -0.18 0.00 0.00 0.00 0.00 61.98 62.06 3fds s VAL 68 Cb -0.09 -0.70 -0.03 0.00 0.00 0.00 0.00 36.38 35.56 3fds s VAL 68 CO 0.19 0.29 0.50 -0.75 0.00 0.00 0.00 175.10 175.33 3fds s LYS 69 N 1.85 4.08 -0.38 2.72 2.36 -0.04 -1.35 119.74 128.98 3fds s LYS 69 Ca 0.04 0.31 -0.15 0.00 -2.55 0.00 0.00 55.97 53.63 3fds s LYS 69 Cb -0.12 -3.64 0.00 0.00 -1.05 0.00 0.00 37.83 33.02 3fds s LYS 69 CO -0.06 -0.32 0.30 -0.51 1.55 0.00 0.00 175.35 176.32 3fds s LEU 70 N 2.19 4.80 1.13 5.43 1.43 0.85 -3.26 118.68 131.26 3fds s LEU 70 Ca 0.21 -0.63 -0.19 0.00 -1.03 0.00 0.00 54.13 52.50 3fds s LEU 70 Cb -0.16 -2.20 0.27 0.00 0.03 0.00 0.00 46.19 44.13 3fds s LEU 70 CO 0.09 -0.38 1.20 1.51 0.23 0.00 0.00 176.35 179.00 3fds s ASP 71 N 1.72 1.55 0.20 2.29 3.84 -1.26 -1.12 116.67 123.89 3fds s ASP 71 Ca 0.07 0.43 -0.10 0.00 -0.00 0.00 0.00 52.55 52.95 3fds s ASP 71 Cb -0.18 -0.54 0.24 0.00 -1.38 0.00 0.00 42.92 41.06 3fds s ASP 71 CO 0.11 -3.71 1.78 0.58 -0.00 0.00 0.00 175.17 173.93 3fds h VAL 72 N -2.31 0.90 -0.31 2.11 2.07 -1.97 -0.99 116.25 115.75 3fds h VAL 72 Ca -0.44 -0.19 -0.09 0.00 0.82 0.00 0.00 66.70 66.81 3fds h VAL 72 Cb 1.26 0.29 -0.02 0.00 -1.52 0.00 0.00 31.29 31.31 3fds h VAL 72 CO 0.32 0.10 -0.17 -1.28 0.02 0.00 0.00 177.57 176.57 3fds h SER 73 N 0.56 0.55 -0.33 0.57 0.87 -1.92 -1.90 113.55 111.94 3fds h SER 73 Ca 0.29 -0.16 -0.12 0.00 -1.23 0.00 0.00 61.79 60.57 3fds h SER 73 Cb 0.25 -0.15 -0.01 0.00 -0.44 0.00 0.00 62.40 62.05 3fds h SER 73 CO -0.22 0.73 -0.26 0.28 -0.53 0.00 0.00 176.83 176.84 3fds h SER 74 N 0.50 0.81 -0.14 6.23 0.02 -1.73 -1.67 113.55 117.57 3fds h SER 74 Ca 0.08 -0.44 0.03 0.00 -0.84 0.00 0.00 61.79 60.62 3fds h SER 74 Cb 0.58 -0.22 -0.03 0.00 0.14 0.00 0.00 62.40 62.86 3fds h SER 74 CO 0.04 1.08 -0.08 0.58 -1.14 0.00 0.00 176.83 177.31 3fds h VAL 75 N 0.54 0.76 -0.65 2.27 2.07 -1.08 -2.17 116.25 117.99 3fds h VAL 75 Ca 0.06 0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.66 3fds h VAL 75 Cb 0.82 0.76 -0.06 0.00 -1.52 0.00 0.00 31.29 31.29 3fds h VAL 75 CO 0.07 0.00 0.31 0.11 0.02 0.00 0.00 177.57 178.08 3fds h LYS 76 N -0.07 0.54 0.00 1.57 1.57 -1.33 -1.20 116.57 117.66 3fds h LYS 76 Ca 0.08 -0.03 0.03 0.00 -1.87 0.00 0.00 60.65 58.86 3fds h LYS 76 Cb 0.19 -0.12 -0.05 0.00 0.08 0.00 0.00 32.23 32.33 3fds h LYS 76 CO -0.18 0.36 -0.27 0.87 -0.57 0.00 0.00 179.45 179.65 3fds h LYS 77 N 0.56 -0.41 -0.14 3.15 1.57 -1.05 -0.73 116.57 119.51 3fds h LYS 77 Ca 0.31 0.03 0.02 0.00 -1.87 0.00 0.00 60.65 59.14 3fds h LYS 77 Cb 0.30 0.09 -0.02 0.00 0.08 0.00 0.00 32.23 32.68 3fds h LYS 77 CO -0.24 -0.27 -0.01 0.82 -0.57 0.00 0.00 179.45 179.17 3fds h ILE 78 N -0.42 0.89 0.00 1.86 2.04 -1.13 -2.81 117.51 117.93 3fds h ILE 78 Ca 0.06 -0.01 -0.04 0.00 1.00 0.00 0.00 64.86 65.87 3fds h ILE 78 Cb 0.50 0.85 -0.01 0.00 -0.74 0.00 0.00 36.82 37.43 3fds h ILE 78 CO -0.24 0.01 -0.19 -0.07 0.00 0.00 0.00 178.15 177.66 3fds h LEU 79 N 0.03 0.00 -1.02 1.44 3.38 -1.12 -2.05 115.31 115.97 3fds h LEU 79 Ca 0.07 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.04 3fds h LEU 79 Cb 0.09 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.84 3fds h LEU 79 CO -0.12 0.19 0.00 -1.54 0.09 0.00 0.00 178.44 177.06 3fds n SER 80 N -3.61 0.64 -1.05 -0.43 3.41 -0.29 -1.17 113.62 111.13 3fds n SER 80 Ca -0.01 0.71 0.11 0.00 -0.26 0.00 0.00 58.87 59.42 3fds n SER 80 Cb 0.33 -0.83 0.17 0.00 -0.26 0.00 0.00 64.21 63.62 3fds n SER 80 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 3fds n LYS 81 N -2.26 2.36 -1.77 4.33 4.01 -0.77 -5.00 118.16 119.05 3fds n LYS 81 Ca 0.01 -2.11 -0.42 0.00 -0.51 0.00 0.00 58.31 55.28 3fds n LYS 81 Cb 0.15 -1.48 -0.02 0.00 -0.51 0.00 0.00 35.03 33.18 3fds n LYS 81 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 3fds s ALA 82 N -1.62 3.79 -0.03 7.82 0.00 -0.31 -4.99 121.76 126.41 3fds s ALA 82 Ca 0.33 1.57 -0.20 0.00 0.00 0.00 0.00 51.96 53.67 3fds s ALA 82 Cb 0.21 -3.66 0.04 0.00 0.00 0.00 0.00 23.12 19.71 3fds s ALA 82 CO 0.30 -0.97 0.43 0.45 0.00 0.00 0.00 175.76 175.97 3fds s SER 83 N 0.67 -0.35 0.26 0.00 0.15 -1.26 -5.04 113.70 108.13 3fds s SER 83 Ca 0.66 0.31 0.24 0.00 0.70 0.00 0.00 55.95 57.86 3fds s SER 83 Cb -0.48 0.40 0.46 0.00 -1.71 0.00 0.00 66.02 64.69 3fds s SER 83 CO 0.44 -0.49 1.53 0.77 1.20 0.00 0.00 173.24 176.69 3fds h SER 84 N 3.63 0.00 -3.17 5.45 4.64 -1.95 -3.38 113.55 118.77 3fds h SER 84 Ca -0.29 -0.04 -0.58 0.00 -0.47 0.00 0.00 61.79 60.41 3fds h SER 84 Cb 1.17 0.00 0.15 0.00 -0.31 0.00 0.00 62.40 63.40 3fds h SER 84 CO 0.39 0.02 0.05 0.29 -0.87 0.00 0.00 176.83 176.72 3fds n LYS 85 N -2.55 1.08 -1.74 4.77 5.02 -1.26 -4.88 118.16 118.58 3fds n LYS 85 Ca 0.04 0.40 -0.42 0.00 -2.02 0.00 0.00 58.31 56.30 3fds n LYS 85 Cb 0.48 -2.01 -0.03 0.00 -0.02 0.00 0.00 35.03 33.45 3fds n LYS 85 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 3fds s LYS 86 N -2.22 3.90 0.20 1.97 1.02 -1.26 -4.58 119.74 118.78 3fds s LYS 86 Ca 0.68 2.34 -0.15 0.00 0.02 0.00 0.00 55.97 58.86 3fds s LYS 86 Cb -0.50 -4.17 0.01 0.00 -0.52 0.00 0.00 37.83 32.65 3fds s LYS 86 CO 0.54 -1.22 0.48 0.00 -0.92 0.00 0.00 175.35 174.23 3fds s ALA 87 N 5.28 -0.61 0.10 5.17 0.00 -1.26 -0.34 121.76 130.09 3fds s ALA 87 Ca 0.87 -0.50 0.06 0.00 0.00 0.00 0.00 51.96 52.39 3fds s ALA 87 Cb -0.38 0.90 -0.04 0.00 0.00 0.00 0.00 23.12 23.60 3fds s ALA 87 CO 0.37 -0.80 -0.04 0.99 0.00 0.00 0.00 175.76 176.29 3fds s THR 88 N -3.93 3.76 -0.15 0.00 2.01 -0.23 -1.40 115.64 115.70 3fds s THR 88 Ca 0.14 -1.10 0.02 0.00 0.31 0.00 0.00 61.69 61.05 3fds s THR 88 Cb -0.00 -2.78 0.02 0.00 0.01 0.00 0.00 72.50 69.74 3fds s THR 88 CO 0.01 0.11 -0.19 -0.63 -0.69 0.00 0.00 174.62 173.23 3fds s ILE 89 N -1.28 1.93 -0.31 1.82 1.01 -0.81 -0.67 121.20 122.90 3fds s ILE 89 Ca 0.24 -0.88 -0.12 0.00 0.00 0.00 0.00 60.65 59.90 3fds s ILE 89 Cb -0.11 -1.74 -0.03 0.00 0.01 0.00 0.00 42.46 40.59 3fds s ILE 89 CO 0.17 0.52 0.21 -0.70 0.00 0.00 0.00 174.94 175.13 3fds s GLU 90 N 1.11 3.64 -0.20 2.79 2.12 0.71 -1.24 118.70 127.64 3fds s GLU 90 Ca -0.01 -0.53 -0.04 0.00 0.36 0.00 0.00 54.97 54.75 3fds s GLU 90 Cb -0.14 -3.71 -0.02 0.00 0.26 0.00 0.00 34.13 30.52 3fds s GLU 90 CO -0.07 -0.34 -0.02 -1.17 -0.54 0.00 0.00 175.26 173.12 3fds s LEU 91 N 1.72 3.16 0.02 2.70 0.20 -0.05 -0.43 118.68 126.00 3fds s LEU 91 Ca 0.06 -0.24 0.02 0.00 0.69 0.00 0.00 54.13 54.66 3fds s LEU 91 Cb -0.17 -1.80 -0.01 0.00 -0.43 0.00 0.00 46.19 43.78 3fds s LEU 91 CO 0.10 0.06 -0.07 0.42 -0.29 0.00 0.00 176.35 176.56 3fds s THR 92 N 1.04 0.53 0.33 3.68 -4.23 -0.56 -0.63 115.64 115.80 3fds s THR 92 Ca 0.01 -0.69 -0.27 0.00 -1.18 0.00 0.00 61.69 59.57 3fds s THR 92 Cb -0.14 -0.52 -0.09 0.00 1.34 0.00 0.00 72.50 73.08 3fds s THR 92 CO 0.01 -0.13 1.10 -0.70 -0.54 0.00 0.00 174.62 174.37 3fds s GLU 93 N -0.89 4.41 0.55 3.99 2.12 -0.54 -0.50 118.70 127.84 3fds s GLU 93 Ca -0.04 1.75 0.03 0.00 0.36 0.00 0.00 54.97 57.07 3fds s GLU 93 Cb -0.06 -2.93 0.03 0.00 0.26 0.00 0.00 34.13 31.43 3fds s GLU 93 CO 0.00 0.02 0.25 0.95 -0.54 0.00 0.00 175.26 175.94 3fds s THR 94 N -1.34 1.33 0.38 -1.70 -4.23 0.11 -4.81 115.64 105.39 3fds s THR 94 Ca 0.50 -1.70 0.08 0.00 -1.18 0.00 0.00 61.69 59.39 3fds s THR 94 Cb -0.29 -2.03 0.18 0.00 1.34 0.00 0.00 72.50 71.70 3fds s THR 94 CO 0.37 0.00 1.94 0.44 -0.54 0.00 0.00 174.62 176.83 3fds h ASP 95 N 0.93 0.32 -0.01 3.99 3.32 -1.98 -3.15 116.42 119.83 3fds h ASP 95 Ca -0.39 -0.05 0.00 0.00 0.02 0.00 0.00 57.03 56.61 3fds h ASP 95 Cb 1.32 -0.08 0.00 0.00 0.22 0.00 0.00 39.33 40.78 3fds h ASP 95 CO 0.63 0.40 -0.24 -1.54 -1.72 0.00 0.00 179.24 176.78 3fds n SER 96 N -4.32 1.51 0.00 6.45 3.41 -1.26 -5.06 113.62 114.35 3fds n SER 96 Ca 0.00 -1.25 0.00 0.00 -0.26 0.00 0.00 58.87 57.36 3fds n SER 96 Cb 0.22 0.41 0.00 0.00 -0.26 0.00 0.00 64.21 64.58 3fds n SER 96 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3fds n GLY 97 N 0.99 -0.57 3.20 5.00 0.00 -1.19 -0.74 105.19 111.89 3fds n GLY 97 Ca 0.06 0.37 -0.17 0.00 0.00 0.00 0.00 46.02 46.28 3fds n GLY 97 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3fds s LEU 98 N 0.00 2.38 -0.11 0.99 1.43 0.14 -0.71 118.68 122.81 3fds s LEU 98 Ca 0.00 -0.78 0.01 0.00 -1.03 0.00 0.00 54.13 52.33 3fds s LEU 98 Cb 0.00 -0.45 -0.02 0.00 0.03 0.00 0.00 46.19 45.76 3fds s LEU 98 CO 0.00 -0.18 -0.15 -0.75 0.23 0.00 0.00 176.35 175.50 3fds s LYS 99 N -2.57 3.13 -0.18 1.70 2.20 0.35 -0.29 119.74 124.09 3fds s LYS 99 Ca 0.06 -0.72 0.01 0.00 -0.36 0.00 0.00 55.97 54.96 3fds s LYS 99 Cb -0.05 -2.52 0.02 0.00 -1.51 0.00 0.00 37.83 33.77 3fds s LYS 99 CO 0.02 0.31 -0.17 0.42 -0.36 0.00 0.00 175.35 175.56 3fds s ILE 100 N 0.09 1.89 -0.17 5.43 1.01 -0.51 -1.50 121.20 127.45 3fds s ILE 100 Ca -0.07 -0.90 -0.04 0.00 0.00 0.00 0.00 60.65 59.64 3fds s ILE 100 Cb -0.15 -1.76 -0.03 0.00 0.01 0.00 0.00 42.46 40.53 3fds s ILE 100 CO 0.05 0.46 -0.02 -0.63 0.00 0.00 0.00 174.94 174.80 3fds s ILE 101 N 1.34 4.01 -0.23 2.92 1.01 0.43 -1.27 121.20 129.42 3fds s ILE 101 Ca 0.04 -0.31 -0.06 0.00 0.00 0.00 0.00 60.65 60.32 3fds s ILE 101 Cb -0.14 -2.78 -0.02 0.00 0.01 0.00 0.00 42.46 39.53 3fds s ILE 101 CO -0.12 0.47 0.03 -0.63 0.00 0.00 0.00 174.94 174.69 3fds s ILE 102 N 0.54 4.04 -0.39 2.92 1.01 -0.00 -0.20 121.20 129.12 3fds s ILE 102 Ca -0.02 -0.27 -0.02 0.00 0.00 0.00 0.00 60.65 60.34 3fds s ILE 102 Cb -0.14 -2.86 0.10 0.00 0.01 0.00 0.00 42.46 39.58 3fds s ILE 102 CO 0.02 0.39 0.17 -0.60 0.00 0.00 0.00 174.94 174.92 3fds s ARG 103 N 1.35 1.97 -0.00 2.79 3.52 0.16 -1.35 118.95 127.39 3fds s ARG 103 Ca 0.05 -1.78 -0.37 0.00 -0.13 0.00 0.00 55.73 53.50 3fds s ARG 103 Cb -0.15 -3.50 -0.16 0.00 -1.56 0.00 0.00 34.95 29.59 3fds s ARG 103 CO 0.02 -1.01 1.52 -0.25 -0.81 0.00 0.00 175.30 174.76 3fds n ASP 104 N 4.55 2.21 -0.00 -2.12 8.00 -0.98 -1.07 116.55 127.14 3fds n ASP 104 Ca -0.02 1.09 -0.17 0.00 0.71 0.00 0.00 54.79 56.39 3fds n ASP 104 Cb 0.42 -1.23 -0.13 0.00 -0.02 0.00 0.00 41.12 40.16 3fds n ASP 104 CO 0.00 0.00 0.00 1.05 -0.39 0.00 0.00 177.20 177.86 3fds h GLU 105 N 5.81 0.23 -5.66 -1.24 4.11 -1.03 -3.31 114.58 113.50 3fds h GLU 105 Ca -0.47 -0.32 -0.63 0.00 0.07 0.00 0.00 59.36 58.01 3fds h GLU 105 Cb 1.31 0.11 -0.13 0.00 0.50 0.00 0.00 28.75 30.54 3fds h GLU 105 CO 0.85 1.09 0.28 0.21 0.07 0.00 0.00 179.01 181.51 3fds s LYS 106 N -2.72 3.49 0.00 1.06 2.20 -1.26 -4.71 119.74 117.79 3fds s LYS 106 Ca -0.15 -0.06 0.00 0.00 -0.36 0.00 0.00 55.97 55.40 3fds s LYS 106 Cb 0.01 -3.90 0.00 0.00 -1.51 0.00 0.00 37.83 32.43 3fds s LYS 106 CO 0.78 -0.99 0.00 0.43 -0.36 0.00 0.00 175.35 175.21 3fds n SER 107 N 6.47 -1.15 0.00 1.43 7.64 -1.26 -4.86 113.62 121.89 3fds n SER 107 Ca 0.01 0.10 0.00 0.00 1.01 0.00 0.00 58.87 59.99 3fds n SER 107 Cb 0.48 -0.26 0.00 0.00 -1.01 0.00 0.00 64.21 63.43 3fds n SER 107 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3fds n GLY 108 N 0.86 -0.12 0.00 0.23 0.00 -1.25 -5.01 105.19 99.90 3fds n GLY 108 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3fds n GLY 108 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3fds n ALA 109 N 0.00 0.00 -3.46 4.61 0.00 -1.26 -4.73 120.51 115.67 3fds n ALA 109 Ca 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 53.44 53.27 3fds n ALA 109 Cb 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.39 3fds n ALA 109 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 3fds s LYS 110 N 0.51 0.98 0.07 0.00 1.02 -1.26 -2.32 119.74 118.74 3fds s LYS 110 Ca 0.00 0.16 0.05 0.00 0.02 0.00 0.00 55.97 56.20 3fds s LYS 110 Cb 0.00 0.46 -0.03 0.00 -0.52 0.00 0.00 37.83 37.74 3fds s LYS 110 CO 0.00 -0.30 -0.14 -1.54 -0.92 0.00 0.00 175.35 172.45 3fds s SER 111 N -1.24 1.62 0.06 2.83 1.04 -0.45 -4.95 113.70 112.60 3fds s SER 111 Ca -0.11 -0.61 0.08 0.00 0.48 0.00 0.00 55.95 55.79 3fds s SER 111 Cb -0.01 -0.04 -0.03 0.00 0.10 0.00 0.00 66.02 66.04 3fds s SER 111 CO 0.09 -0.08 -0.22 -0.89 0.98 0.00 0.00 173.24 173.11 3fds s THR 112 N -1.27 1.80 0.03 2.02 2.01 -1.26 -0.82 115.64 118.15 3fds s THR 112 Ca -0.02 -1.34 0.06 0.00 0.31 0.00 0.00 61.69 60.70 3fds s THR 112 Cb -0.10 -1.58 -0.02 0.00 0.01 0.00 0.00 72.50 70.81 3fds s THR 112 CO 0.02 0.18 -0.18 -0.63 -0.69 0.00 0.00 174.62 173.32 3fds s ILE 113 N -0.88 1.47 -0.16 1.82 1.01 -0.39 -4.99 121.20 119.07 3fds s ILE 113 Ca 0.09 -1.05 -0.02 0.00 0.00 0.00 0.00 60.65 59.66 3fds s ILE 113 Cb -0.09 -1.28 -0.01 0.00 0.01 0.00 0.00 42.46 41.08 3fds s ILE 113 CO 0.03 0.20 -0.09 -0.31 0.00 0.00 0.00 174.94 174.76 3fds s TYR 114 N -0.73 2.90 -0.21 3.97 2.02 -1.26 -1.42 117.35 122.62 3fds s TYR 114 Ca 0.06 -0.68 -0.03 0.00 -0.37 0.00 0.00 57.07 56.05 3fds s TYR 114 Cb -0.08 -1.94 -0.00 0.00 -0.40 0.00 0.00 41.96 39.53 3fds s TYR 114 CO 0.01 -0.29 -0.08 0.42 -1.57 0.00 0.00 175.55 174.05 3fds s ILE 115 N 0.70 3.09 -0.12 2.71 -1.09 0.61 -4.99 121.20 122.11 3fds s ILE 115 Ca -0.04 -0.59 -0.28 0.00 -2.23 0.00 0.00 60.65 57.51 3fds s ILE 115 Cb -0.15 -2.39 -0.01 0.00 -1.58 0.00 0.00 42.46 38.33 3fds s ILE 115 CO 0.02 0.45 0.95 -0.54 -1.23 0.00 0.00 174.94 174.59 3fds s LYS 116 N 1.42 4.40 -0.27 2.79 -0.14 -1.26 -0.68 119.74 125.99 3fds s LYS 116 Ca 0.05 1.28 -0.14 0.00 -1.36 0.00 0.00 55.97 55.80 3fds s LYS 116 Cb -0.14 -3.54 0.09 0.00 -1.68 0.00 0.00 37.83 32.55 3fds s LYS 116 CO -0.05 -0.30 0.64 0.00 -0.76 0.00 0.00 175.35 174.88 3fds s ALA 117 N 1.97 -1.78 0.32 5.17 0.00 0.08 -4.72 121.76 122.81 3fds s ALA 117 Ca 0.45 2.27 -0.29 0.00 0.00 0.00 0.00 51.96 54.40 3fds s ALA 117 Cb -0.18 -1.42 -0.10 0.00 0.00 0.00 0.00 23.12 21.42 3fds s ALA 117 CO 0.17 -0.47 1.31 -1.21 0.00 0.00 0.00 175.76 175.56 3fds s GLU 118 N 1.85 4.36 -0.03 0.00 2.02 -1.20 -3.97 118.70 121.73 3fds s GLU 118 Ca -0.09 2.21 -0.02 0.00 0.02 0.00 0.00 54.97 57.09 3fds s GLU 118 Cb -0.07 -3.08 -0.04 0.00 0.10 0.00 0.00 34.13 31.04 3fds s GLU 118 CO -0.19 -0.19 0.09 0.15 0.02 0.00 0.00 175.26 175.14 3fds s LYS 119 N -1.65 3.15 0.00 1.61 -0.14 -1.26 -0.86 119.74 120.59 3fds s LYS 119 Ca 0.50 -0.42 0.00 0.00 -1.36 0.00 0.00 55.97 54.69 3fds s LYS 119 Cb -0.40 -2.92 0.00 0.00 -1.68 0.00 0.00 37.83 32.83 3fds s LYS 119 CO 0.52 0.67 0.00 0.41 -0.76 0.00 0.00 175.35 176.19 3fds n GLY 120 N 1.34 3.22 0.74 -3.33 0.00 0.55 -4.92 105.19 102.78 3fds n GLY 120 Ca -0.14 -1.63 0.00 0.00 0.00 0.00 0.00 46.02 44.25 3fds n GLY 120 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3fds n GLN 121 N 0.06 0.00 -2.59 1.61 1.13 -1.26 -4.47 117.38 111.86 3fds n GLN 121 Ca 0.00 0.30 -0.42 0.00 -1.94 0.00 0.00 57.00 54.94 3fds n GLN 121 Cb 0.00 -0.44 -0.03 0.00 0.11 0.00 0.00 30.24 29.88 3fds n GLN 121 CO 0.00 0.00 0.00 0.08 -1.44 0.00 0.00 177.06 175.70 3fds s VAL 122 N 0.00 4.54 0.01 5.09 1.01 -1.26 -4.17 120.40 125.62 3fds s VAL 122 Ca 0.00 1.82 -0.08 0.00 0.00 0.00 0.00 61.98 63.73 3fds s VAL 122 Cb 0.00 -4.17 -0.05 0.00 0.00 0.00 0.00 36.38 32.16 3fds s VAL 122 CO 0.00 0.11 0.29 -1.83 0.00 0.00 0.00 175.10 173.66 3fds s GLU 123 N 1.31 3.62 0.45 2.72 1.03 -1.26 -5.04 118.70 121.53 3fds s GLU 123 Ca 0.54 -0.01 -0.23 0.00 0.03 0.00 0.00 54.97 55.30 3fds s GLU 123 Cb -0.24 -3.09 -0.08 0.00 -0.80 0.00 0.00 34.13 29.93 3fds s GLU 123 CO 0.26 0.65 1.17 1.14 -1.33 0.00 0.00 175.26 177.16 3fds s GLN 124 N -1.67 3.81 -0.54 -4.83 0.00 -1.26 -4.95 119.66 110.21 3fds s GLN 124 Ca 0.27 1.81 -0.28 0.00 -0.00 0.00 0.00 55.36 57.16 3fds s GLN 124 Cb -0.13 -2.47 0.01 0.00 0.00 0.00 0.00 33.01 30.42 3fds s GLN 124 CO 0.15 -0.52 1.40 -1.17 0.00 0.00 0.00 175.29 175.15 3fds s LEU 125 N -2.92 3.44 -0.20 2.60 2.96 -1.26 -5.01 118.68 118.29 3fds s LEU 125 Ca 0.62 0.36 -0.03 0.00 -0.22 0.00 0.00 54.13 54.86 3fds s LEU 125 Cb -0.29 -3.14 -0.01 0.00 0.50 0.00 0.00 46.19 43.25 3fds s LEU 125 CO 0.36 -1.65 -0.06 0.28 -1.32 0.00 0.00 176.35 173.96 3fds s THR 126 N 5.88 3.28 0.33 3.68 -1.32 -1.26 -5.11 115.64 121.11 3fds s THR 126 Ca 0.53 -0.53 0.09 0.00 -1.21 0.00 0.00 61.69 60.57 3fds s THR 126 Cb -0.11 -2.47 -0.05 0.00 -1.51 0.00 0.00 72.50 68.36 3fds s THR 126 CO 0.26 0.45 0.05 -1.61 -2.21 0.00 0.00 174.62 171.56 3fds s GLU 127 N 1.29 2.20 0.20 7.08 2.02 -1.26 -5.09 118.70 125.14 3fds s GLU 127 Ca 0.03 -1.63 -0.32 0.00 0.02 0.00 0.00 54.97 53.07 3fds s GLU 127 Cb -0.14 -2.04 -0.14 0.00 0.10 0.00 0.00 34.13 31.90 3fds s GLU 127 CO -0.03 0.16 1.35 -2.30 0.02 0.00 0.00 175.26 174.47 3fds n PRO 128 N -1.00 1.75 -3.37 0.39 -0.02 -1.26 -4.94 135.00 126.55 3fds n PRO 128 Ca -0.04 0.62 -0.45 0.00 -2.02 0.00 0.00 63.50 61.61 3fds n PRO 128 Cb 0.61 -2.25 -0.05 0.00 -0.02 0.00 0.00 33.50 31.80 3fds n PRO 128 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 3fds s LYS 129 N -0.23 2.97 -0.06 -0.52 2.20 -1.26 -5.03 119.74 117.81 3fds s LYS 129 Ca 0.71 -1.84 -0.12 0.00 -0.36 0.00 0.00 55.97 54.36 3fds s LYS 129 Cb -0.73 -4.24 0.02 0.00 -1.51 0.00 0.00 37.83 31.38 3fds s LYS 129 CO 0.49 -1.30 0.29 0.08 -0.36 0.00 0.00 175.35 174.55 3fds s VAL 130 N 1.32 0.03 -0.31 4.02 1.01 -1.26 -5.14 120.40 120.06 3fds s VAL 130 Ca 0.06 -0.25 -0.13 0.00 0.00 0.00 0.00 61.98 61.67 3fds s VAL 130 Cb -0.26 -0.49 -0.03 0.00 0.00 0.00 0.00 36.38 35.59 3fds s VAL 130 CO 0.00 -0.14 0.26 0.20 0.00 0.00 0.00 175.10 175.43 3fds s ASN 131 N -0.54 6.08 -0.29 3.32 0.01 -1.26 -5.07 114.94 117.19 3fds s ASN 131 Ca -0.06 -0.17 -0.09 0.00 -0.71 0.00 0.00 52.86 51.82 3fds s ASN 131 Cb -0.04 -2.15 -0.02 0.00 0.41 0.00 0.00 41.25 39.46 3fds s ASN 131 CO 0.02 -0.18 0.13 -0.76 -1.51 0.00 0.00 177.10 174.80 3fds s LEU 132 N 1.82 3.93 0.25 0.60 1.43 -1.26 -4.83 118.68 120.62 3fds s LEU 132 Ca 0.08 -0.39 0.13 0.00 -1.03 0.00 0.00 54.13 52.92 3fds s LEU 132 Cb -0.17 -1.99 0.05 0.00 0.03 0.00 0.00 46.19 44.11 3fds s LEU 132 CO 0.11 -0.14 1.43 0.00 0.23 0.00 0.00 176.35 177.98 3fds h ALA 133 N 8.32 0.63 -3.76 4.21 0.00 -1.83 -3.45 119.26 123.38 3fds h ALA 133 Ca -0.34 -0.55 -0.66 0.00 0.00 0.00 0.00 54.91 53.36 3fds h ALA 133 Cb 1.16 -0.10 -0.32 0.00 0.00 0.00 0.00 17.79 18.53 3fds h ALA 133 CO 0.60 0.75 -0.87 0.08 0.00 0.00 0.00 179.25 179.81 3fds s VAL 134 N -2.95 1.90 -0.01 0.00 1.01 -0.74 -1.02 120.40 118.60 3fds s VAL 134 Ca 0.03 -0.96 0.02 0.00 0.00 0.00 0.00 61.98 61.07 3fds s VAL 134 Cb 0.08 -1.63 -0.00 0.00 0.00 0.00 0.00 36.38 34.83 3fds s VAL 134 CO 0.76 0.53 -0.06 0.20 0.00 0.00 0.00 175.10 176.53 3fds s ASN 135 N 0.07 0.68 0.04 3.32 -0.87 -0.10 -1.74 114.94 116.35 3fds s ASN 135 Ca -0.09 -0.10 -0.07 0.00 -1.57 0.00 0.00 52.86 51.03 3fds s ASN 135 Cb -0.15 -0.08 -0.01 0.00 -0.02 0.00 0.00 41.25 40.99 3fds s ASN 135 CO 0.05 0.07 0.13 0.72 -2.57 0.00 0.00 177.10 175.50 3fds s PHE 136 N -0.11 0.16 -0.09 2.20 -0.12 0.46 -0.54 117.98 119.94 3fds s PHE 136 Ca 0.02 -0.45 0.02 0.00 -0.05 0.00 0.00 56.93 56.47 3fds s PHE 136 Cb -0.03 -0.11 -0.02 0.00 -0.63 0.00 0.00 43.02 42.24 3fds s PHE 136 CO -0.00 -0.39 -0.16 0.99 -0.05 0.00 0.00 175.22 175.60 3fds s THR 137 N -2.70 2.83 0.00 -4.49 2.01 -0.27 -1.17 115.64 111.85 3fds s THR 137 Ca -0.04 -0.77 0.00 0.00 0.31 0.00 0.00 61.69 61.19 3fds s THR 137 Cb -0.01 -2.13 0.00 0.00 0.01 0.00 0.00 72.50 70.37 3fds s THR 137 CO -0.05 0.56 0.00 1.07 -0.69 0.00 0.00 174.62 175.51 3fds n THR 138 N 3.01 0.00 -4.42 -0.82 5.66 -0.10 -0.97 114.28 116.64 3fds n THR 138 Ca -0.18 0.00 -0.22 0.00 -3.05 0.00 0.00 64.05 60.61 3fds n THR 138 Cb 0.52 0.00 -0.09 0.00 -1.55 0.00 0.00 70.33 69.21 3fds n THR 138 CO 0.00 0.00 0.00 1.51 -3.05 0.00 0.00 175.07 173.53 3fds s ASP 139 N 1.07 2.14 0.30 1.09 1.47 -1.26 0.42 116.67 121.89 3fds s ASP 139 Ca 0.00 -1.55 -0.02 0.00 1.18 0.00 0.00 52.55 52.17 3fds s ASP 139 Cb 0.00 0.31 0.45 0.00 -0.34 0.00 0.00 42.92 43.35 3fds s ASP 139 CO 0.00 -0.83 1.95 -0.08 0.68 0.00 0.00 175.17 176.89 3fds h GLU 140 N 2.05 1.08 -0.37 2.11 4.81 -1.93 -2.49 114.58 119.85 3fds h GLU 140 Ca -0.36 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 58.81 3fds h GLU 140 Cb 1.26 -0.24 -0.02 0.00 0.63 0.00 0.00 28.75 30.37 3fds h GLU 140 CO 0.58 0.71 0.24 0.66 -0.73 0.00 0.00 179.01 180.48 3fds h SER 141 N 1.11 0.42 -0.61 1.04 4.64 -1.99 0.55 113.55 118.72 3fds h SER 141 Ca 0.33 -0.01 -0.01 0.00 -0.47 0.00 0.00 61.79 61.63 3fds h SER 141 Cb -0.05 -0.10 -0.03 0.00 -0.31 0.00 0.00 62.40 61.90 3fds h SER 141 CO -0.08 0.30 0.34 0.58 -0.87 0.00 0.00 176.83 177.09 3fds h VAL 142 N 0.50 1.19 -0.02 0.95 2.07 -1.89 -2.15 116.25 116.90 3fds h VAL 142 Ca 0.14 -0.49 -0.11 0.00 0.82 0.00 0.00 66.70 67.06 3fds h VAL 142 Cb -0.05 0.41 -0.01 0.00 -1.52 0.00 0.00 31.29 30.11 3fds h VAL 142 CO -0.03 0.21 -0.49 -0.07 0.02 0.00 0.00 177.57 177.21 3fds h LEU 143 N 0.82 0.05 -0.52 2.57 3.38 -1.02 -2.21 115.31 118.38 3fds h LEU 143 Ca 0.21 -0.02 -0.14 0.00 0.09 0.00 0.00 57.88 58.02 3fds h LEU 143 Cb 0.04 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 40.77 3fds h LEU 143 CO -0.03 0.53 -0.34 0.78 0.09 0.00 0.00 178.44 179.46 3fds h ASN 144 N 0.04 0.87 0.24 -0.43 2.35 -0.66 0.02 115.58 118.01 3fds h ASN 144 Ca -0.00 -0.37 0.01 0.00 -0.55 0.00 0.00 56.30 55.38 3fds h ASN 144 Cb 0.87 -0.24 -0.03 0.00 0.05 0.00 0.00 38.32 38.97 3fds h ASN 144 CO 0.07 1.13 -0.31 0.58 -1.65 0.00 0.00 177.43 177.24 3fds h VAL 145 N 0.69 0.35 -0.25 2.81 2.07 -0.87 -0.87 116.25 120.18 3fds h VAL 145 Ca 0.07 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.61 3fds h VAL 145 Cb 0.90 0.35 -0.03 0.00 -1.52 0.00 0.00 31.29 30.99 3fds h VAL 145 CO 0.08 0.00 0.09 0.40 0.02 0.00 0.00 177.57 178.16 3fds h ILE 146 N -0.61 0.94 -0.56 4.57 2.04 -1.32 0.22 117.51 122.78 3fds h ILE 146 Ca 0.00 -0.07 0.05 0.00 1.00 0.00 0.00 64.86 65.85 3fds h ILE 146 Cb 0.58 0.72 -0.05 0.00 -0.74 0.00 0.00 36.82 37.33 3fds h ILE 146 CO -0.10 0.04 0.28 0.00 0.00 0.00 0.00 178.15 178.36 3fds h ALA 147 N 1.15 0.73 -0.61 1.87 0.00 -0.91 0.35 119.26 121.84 3fds h ALA 147 Ca 0.11 0.03 -0.09 0.00 0.00 0.00 0.00 54.91 54.96 3fds h ALA 147 Cb 0.08 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 3fds h ALA 147 CO -0.11 -0.07 0.05 0.00 0.00 0.00 0.00 179.25 179.12 3fds h ALA 148 N 1.31 0.82 -0.05 0.00 0.00 -0.80 -2.13 119.26 118.41 3fds h ALA 148 Ca 0.25 -0.29 -0.00 0.00 0.00 0.00 0.00 54.91 54.87 3fds h ALA 148 Cb 0.18 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 17.74 3fds h ALA 148 CO -0.18 0.62 0.01 -0.44 0.00 0.00 0.00 179.25 179.26 3fds h ASP 149 N 0.95 0.07 -0.60 0.00 3.32 0.21 -2.20 116.42 118.18 3fds h ASP 149 Ca 0.18 -0.22 -0.05 0.00 0.02 0.00 0.00 57.03 56.95 3fds h ASP 149 Cb 0.50 -0.02 -0.03 0.00 0.22 0.00 0.00 39.33 40.00 3fds h ASP 149 CO 0.02 0.28 0.18 -0.37 -1.72 0.00 0.00 179.24 177.63 3fds h VAL 150 N -0.13 1.24 0.00 -1.35 -1.51 -0.34 -2.85 116.25 111.31 3fds h VAL 150 Ca 0.02 -0.85 -0.12 0.00 -1.23 0.00 0.00 66.70 64.52 3fds h VAL 150 Cb 0.23 0.56 -0.02 0.00 -2.13 0.00 0.00 31.29 29.93 3fds h VAL 150 CO 0.00 0.33 -0.56 0.00 -1.23 0.00 0.00 177.57 176.11 3fds h THR 151 N 0.94 1.08 -0.31 7.19 1.03 -1.37 0.25 112.91 121.73 3fds h THR 151 Ca 0.21 -2.17 -0.04 0.00 -0.01 0.00 0.00 66.41 64.40 3fds h THR 151 Cb 0.29 2.29 -0.02 0.00 -1.07 0.00 0.00 68.15 69.64 3fds h THR 151 CO -0.01 0.54 0.02 0.25 -0.01 0.00 0.00 175.52 176.32 3fds h LEU 152 N 0.00 0.43 0.00 0.00 5.85 -1.16 -3.36 115.31 117.07 3fds h LEU 152 Ca -0.01 -0.07 -0.34 0.00 0.84 0.00 0.00 57.88 58.30 3fds h LEU 152 Cb 1.24 -0.11 -0.06 0.00 0.37 0.00 0.00 40.66 42.10 3fds h LEU 152 CO 0.07 0.49 -2.30 0.52 -0.34 0.00 0.00 178.44 176.88 3fds n VAL 153 N -4.31 1.30 -3.97 1.05 0.31 -0.66 -5.07 118.33 106.97 3fds n VAL 153 Ca 0.01 -0.60 -0.09 0.00 -0.01 0.00 0.00 64.34 63.66 3fds n VAL 153 Cb 0.22 -1.05 -0.04 0.00 -0.91 0.00 0.00 33.84 32.05 3fds n VAL 153 CO 0.00 0.00 0.00 -0.83 -1.32 0.00 0.00 176.83 174.68 3fds s GLY 154 N -5.91 0.47 0.16 2.92 0.00 0.80 -3.88 107.32 101.89 3fds s GLY 154 Ca -0.24 -0.81 0.17 0.00 0.00 0.00 0.00 44.72 43.84 3fds s GLY 154 CO 0.60 -0.54 1.07 -2.09 0.00 0.00 0.00 173.10 172.14 3fds h GLU 155 N 2.19 0.00 -5.49 2.90 4.22 -1.85 -3.39 114.58 113.16 3fds h GLU 155 Ca -0.25 0.00 -0.49 0.00 0.08 0.00 0.00 59.36 58.70 3fds h GLU 155 Cb 1.25 0.00 -0.26 0.00 0.50 0.00 0.00 28.75 30.24 3fds h GLU 155 CO 0.34 0.30 -0.81 -2.00 -2.18 0.00 0.00 179.01 174.65 3fds s GLU 156 N -3.01 1.09 0.15 1.92 2.12 -1.26 -1.61 118.70 118.10 3fds s GLU 156 Ca -0.00 -0.74 0.10 0.00 0.36 0.00 0.00 54.97 54.69 3fds s GLU 156 Cb 0.08 -1.11 -0.04 0.00 0.26 0.00 0.00 34.13 33.32 3fds s GLU 156 CO 0.78 0.29 -0.24 0.00 -0.54 0.00 0.00 175.26 175.55 3fds s MET 157 N -0.95 1.38 -0.05 4.30 0.23 0.52 -4.28 119.30 120.46 3fds s MET 157 Ca 0.04 -1.39 0.05 0.00 -1.03 0.00 0.00 55.69 53.36 3fds s MET 157 Cb -0.07 -1.73 -0.01 0.00 -1.53 0.00 0.00 34.83 31.49 3fds s MET 157 CO 0.01 0.39 -0.23 0.50 -2.03 0.00 0.00 175.02 173.66 3fds s ARG 158 N -2.35 2.33 -0.07 3.16 3.52 0.59 -0.59 118.95 125.55 3fds s ARG 158 Ca 0.15 -0.81 0.05 0.00 -0.13 0.00 0.00 55.73 54.99 3fds s ARG 158 Cb -0.09 -1.98 -0.00 0.00 -1.56 0.00 0.00 34.95 31.32 3fds s ARG 158 CO 0.07 0.33 -0.24 -1.50 -0.81 0.00 0.00 175.30 173.16 3fds s ILE 159 N -0.08 1.98 0.23 4.11 2.07 -0.66 -0.56 121.20 128.29 3fds s ILE 159 Ca -0.04 -1.00 -0.05 0.00 -1.41 0.00 0.00 60.65 58.14 3fds s ILE 159 Cb -0.13 -1.69 -0.02 0.00 0.13 0.00 0.00 42.46 40.74 3fds s ILE 159 CO 0.03 0.55 0.29 -0.94 -1.91 0.00 0.00 174.94 172.96 3fds s SER 160 N 0.08 0.17 -0.04 4.50 1.04 0.07 -1.78 113.70 117.75 3fds s SER 160 Ca -0.10 -1.24 -0.05 0.00 0.48 0.00 0.00 55.95 55.04 3fds s SER 160 Cb -0.15 0.48 -0.04 0.00 0.10 0.00 0.00 66.02 66.41 3fds s SER 160 CO 0.06 -0.99 0.19 0.42 0.98 0.00 0.00 173.24 173.89 3fds s THR 161 N -4.00 5.43 -0.27 2.02 -4.23 -0.37 -0.67 115.64 113.55 3fds s THR 161 Ca 0.32 0.02 -0.01 0.00 -1.18 0.00 0.00 61.69 60.84 3fds s THR 161 Cb 0.03 -3.50 0.13 0.00 1.34 0.00 0.00 72.50 70.50 3fds s THR 161 CO 0.12 0.43 0.29 -0.70 -0.54 0.00 0.00 174.62 174.21 3fds s GLU 162 N -1.62 0.30 7.84 3.99 2.12 -0.33 -4.75 118.70 126.25 3fds s GLU 162 Ca 0.23 -0.05 0.00 0.00 0.36 0.00 0.00 54.97 55.51 3fds s GLU 162 Cb -0.13 -0.73 0.00 0.00 0.26 0.00 0.00 34.13 33.54 3fds s GLU 162 CO 0.14 -0.95 0.00 0.39 -0.54 0.00 0.00 175.26 174.30 3fds n GLU 163 N 5.32 0.00 -1.51 4.30 1.02 -1.26 -2.11 120.64 126.40 3fds n GLU 163 Ca -0.03 0.00 -0.23 0.00 -0.02 0.00 0.00 57.16 56.88 3fds n GLU 163 Cb 0.47 0.00 0.08 0.00 -0.02 0.00 0.00 31.44 31.97 3fds n GLU 163 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 3fds n ASP 164 N 9.22 5.25 -4.20 1.62 8.00 -1.26 -4.97 116.55 130.21 3fds n ASP 164 Ca 0.00 -3.77 -0.13 0.00 0.71 0.00 0.00 54.79 51.60 3fds n ASP 164 Cb 0.00 -0.63 -0.10 0.00 -0.02 0.00 0.00 41.12 40.37 3fds n ASP 164 CO 0.00 0.00 0.00 -1.59 -0.39 0.00 0.00 177.20 175.22 3fds s LYS 165 N -3.59 0.91 -0.11 -1.24 -2.85 -0.90 -4.51 119.74 107.45 3fds s LYS 165 Ca 0.54 -1.32 -0.12 0.00 -1.00 0.00 0.00 55.97 54.07 3fds s LYS 165 Cb 0.44 -0.44 -0.05 0.00 -2.06 0.00 0.00 37.83 35.73 3fds s LYS 165 CO 0.02 0.04 0.27 0.42 0.10 0.00 0.00 175.35 176.20 3fds s ILE 166 N -3.18 5.30 -0.12 3.79 -1.09 0.13 -1.19 121.20 124.84 3fds s ILE 166 Ca 0.12 0.50 0.00 0.00 -2.23 0.00 0.00 60.65 59.04 3fds s ILE 166 Cb 0.02 -3.58 -0.01 0.00 -1.58 0.00 0.00 42.46 37.31 3fds s ILE 166 CO -0.02 0.50 -0.14 -0.75 -1.23 0.00 0.00 174.94 173.31 3fds s LYS 167 N -0.30 3.33 -0.13 2.79 2.20 0.16 0.04 119.74 127.82 3fds s LYS 167 Ca 0.17 -0.70 0.02 0.00 -0.36 0.00 0.00 55.97 55.11 3fds s LYS 167 Cb -0.13 -2.60 0.00 0.00 -1.51 0.00 0.00 37.83 33.59 3fds s LYS 167 CO 0.06 0.23 -0.20 0.42 -0.36 0.00 0.00 175.35 175.50 3fds s ILE 168 N 0.30 2.25 0.07 5.43 1.01 0.05 -0.75 121.20 129.55 3fds s ILE 168 Ca -0.10 -0.92 0.05 0.00 0.00 0.00 0.00 60.65 59.67 3fds s ILE 168 Cb -0.16 -1.90 -0.03 0.00 0.01 0.00 0.00 42.46 40.38 3fds s ILE 168 CO 0.06 0.54 -0.14 -1.83 0.00 0.00 0.00 174.94 173.57 3fds s GLU 169 N 0.70 0.81 0.08 2.79 -1.05 0.28 -0.54 118.70 121.76 3fds s GLU 169 Ca -0.09 -0.94 -0.18 0.00 -0.15 0.00 0.00 54.97 53.61 3fds s GLU 169 Cb -0.16 -0.81 0.04 0.00 -0.44 0.00 0.00 34.13 32.76 3fds s GLU 169 CO 0.01 0.18 0.42 0.00 0.95 0.00 0.00 175.26 176.82 3fds s ALA 170 N -1.27 -1.01 0.00 -0.84 0.00 -0.82 -0.30 121.76 117.52 3fds s ALA 170 Ca -0.02 0.19 0.00 0.00 0.00 0.00 0.00 51.96 52.13 3fds s ALA 170 Cb -0.10 0.50 0.00 0.00 0.00 0.00 0.00 23.12 23.52 3fds s ALA 170 CO 0.02 -0.54 0.00 0.41 0.00 0.00 0.00 175.76 175.65 3fds n GLY 171 N 0.19 1.17 2.71 0.00 0.00 -1.26 -0.87 105.19 107.13 3fds n GLY 171 Ca -0.17 -0.79 -0.22 0.00 0.00 0.00 0.00 46.02 44.84 3fds n GLY 171 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3fds s GLU 172 N -2.00 0.21 3.20 1.61 0.41 -0.64 -4.75 118.70 116.73 3fds s GLU 172 Ca 0.00 0.24 0.00 0.00 -0.41 0.00 0.00 54.97 54.80 3fds s GLU 172 Cb 0.00 -0.78 0.00 0.00 -1.78 0.00 0.00 34.13 31.57 3fds s GLU 172 CO 0.00 -0.34 0.00 0.39 -0.49 0.00 0.00 175.26 174.82 3fds n GLU 173 N 5.24 0.00 0.24 1.61 1.02 -1.26 -0.76 120.64 126.73 3fds n GLU 173 Ca -0.05 0.00 0.17 0.00 -0.02 0.00 0.00 57.16 57.26 3fds n GLU 173 Cb 0.50 0.00 0.84 0.00 -0.02 0.00 0.00 31.44 32.76 3fds n GLU 173 CO 0.00 0.00 0.00 0.78 1.18 0.00 0.00 177.13 179.09 3fds h GLY 174 N 0.00 0.00 -7.34 0.62 0.00 -2.03 -3.43 103.07 90.89 3fds h GLY 174 Ca 0.00 0.00 -0.71 0.00 0.00 0.00 0.00 47.33 46.62 3fds h GLY 174 CO 0.00 0.00 -0.23 0.54 0.00 0.00 0.00 176.54 176.85 3fds s LYS 175 N -3.78 3.04 0.18 4.80 1.02 0.06 -4.99 119.74 120.08 3fds s LYS 175 Ca -0.02 -1.01 0.04 0.00 0.02 0.00 0.00 55.97 55.00 3fds s LYS 175 Cb 0.10 -4.05 -0.05 0.00 -0.52 0.00 0.00 37.83 33.31 3fds s LYS 175 CO 0.34 -0.96 -0.05 1.03 -0.92 0.00 0.00 175.35 174.79 3fds s ARG 176 N 2.01 1.17 -0.00 1.68 0.52 -1.26 -1.62 118.95 121.44 3fds s ARG 176 Ca 0.09 -1.55 0.01 0.00 -0.52 0.00 0.00 55.73 53.77 3fds s ARG 176 Cb -0.20 -0.56 -0.00 0.00 0.52 0.00 0.00 34.95 34.71 3fds s ARG 176 CO 0.11 -0.02 -0.05 -0.47 0.02 0.00 0.00 175.30 174.88 3fds s TYR 177 N -3.42 0.43 -0.00 -0.53 5.04 -0.05 -4.97 117.35 113.84 3fds s TYR 177 Ca 0.22 -0.08 0.01 0.00 -2.44 0.00 0.00 57.07 54.79 3fds s TYR 177 Cb 0.04 -0.28 -0.00 0.00 0.35 0.00 0.00 41.96 42.07 3fds s TYR 177 CO 0.04 -0.01 -0.05 0.08 -1.34 0.00 0.00 175.55 174.27 3fds s VAL 178 N -0.09 0.37 0.05 3.14 1.01 -1.26 -1.94 120.40 121.69 3fds s VAL 178 Ca 0.02 -0.20 0.03 0.00 0.00 0.00 0.00 61.98 61.83 3fds s VAL 178 Cb -0.02 -0.32 -0.03 0.00 0.00 0.00 0.00 36.38 36.01 3fds s VAL 178 CO -0.00 0.11 -0.10 0.00 0.00 0.00 0.00 175.10 175.10 3fds s ALA 179 N -0.08 0.80 -0.13 5.51 0.00 0.30 -4.98 121.76 123.19 3fds s ALA 179 Ca 0.01 -0.85 0.03 0.00 0.00 0.00 0.00 51.96 51.16 3fds s ALA 179 Cb -0.02 -0.01 0.01 0.00 0.00 0.00 0.00 23.12 23.09 3fds s ALA 179 CO -0.00 0.05 -0.22 -0.06 0.00 0.00 0.00 175.76 175.53 3fds s PHE 180 N -1.32 2.64 -0.10 0.00 0.08 -1.26 -0.77 117.98 117.25 3fds s PHE 180 Ca -0.07 -1.23 0.01 0.00 0.12 0.00 0.00 56.93 55.76 3fds s PHE 180 Cb -0.10 -1.78 -0.02 0.00 -0.57 0.00 0.00 43.02 40.55 3fds s PHE 180 CO 0.01 -0.54 -0.13 -0.51 -0.10 0.00 0.00 175.22 173.95 3fds s LEU 181 N 0.65 2.76 0.25 -0.37 1.43 0.11 -4.82 118.68 118.69 3fds s LEU 181 Ca -0.11 -0.26 0.02 0.00 -1.03 0.00 0.00 54.13 52.75 3fds s LEU 181 Cb -0.16 -1.60 -0.04 0.00 0.03 0.00 0.00 46.19 44.42 3fds s LEU 181 CO 0.02 0.23 0.17 0.00 0.23 0.00 0.00 176.35 177.01 3fds s MET 182 N -0.06 1.42 0.09 1.70 0.23 -0.19 0.17 119.30 122.66 3fds s MET 182 Ca -0.02 -1.78 -0.33 0.00 -1.03 0.00 0.00 55.69 52.53 3fds s MET 182 Cb -0.14 0.22 -0.12 0.00 -1.53 0.00 0.00 34.83 33.26 3fds s MET 182 CO 0.04 -0.47 1.77 1.17 -2.03 0.00 0.00 175.02 175.50 3fds n LYS 183 N -0.42 2.48 -0.80 3.16 4.81 -1.26 -0.95 118.16 125.17 3fds n LYS 183 Ca 0.03 0.90 0.00 0.00 -0.87 0.00 0.00 58.31 58.37 3fds n LYS 183 Cb 0.65 -2.75 0.00 0.00 0.02 0.00 0.00 35.03 32.95 3fds n LYS 183 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 3fds n ASP 184 N 5.22 0.00 -3.05 3.14 10.43 0.16 -4.75 116.55 127.70 3fds n ASP 184 Ca 0.19 0.00 -0.18 0.00 2.57 0.00 0.00 54.79 57.37 3fds n ASP 184 Cb 0.33 -0.70 -0.03 0.00 1.84 0.00 0.00 41.12 42.56 3fds n ASP 184 CO 0.00 0.00 0.00 0.29 -1.07 0.00 0.00 177.20 176.42 3fds n LYS 185 N -2.00 0.60 -0.10 -1.24 5.02 -0.46 -4.67 118.16 115.31 3fds n LYS 185 Ca 0.00 -2.65 0.06 0.00 -2.02 0.00 0.00 58.31 53.70 3fds n LYS 185 Cb 0.00 -1.41 0.11 0.00 -0.02 0.00 0.00 35.03 33.71 3fds n LYS 185 CO 0.00 0.00 0.00 -0.35 -0.52 0.00 0.00 177.40 176.53 3fds n PRO 186 N 1.99 1.78 -2.03 1.97 -0.04 -1.12 -1.03 135.00 136.51 3fds n PRO 186 Ca 0.19 -1.66 -0.41 0.00 -0.04 0.00 0.00 63.50 61.58 3fds n PRO 186 Cb 0.55 -1.26 -0.02 0.00 -0.04 0.00 0.00 33.50 32.73 3fds n PRO 186 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 3fds s LEU 187 N -1.00 4.40 0.08 1.53 1.43 -0.13 -4.93 118.68 120.06 3fds s LEU 187 Ca 0.20 2.74 -0.14 0.00 -1.03 0.00 0.00 54.13 55.90 3fds s LEU 187 Cb 0.12 -3.64 -0.22 0.00 0.03 0.00 0.00 46.19 42.48 3fds s LEU 187 CO 0.16 -0.65 1.22 0.11 0.23 0.00 0.00 176.35 177.42 3fds h LYS 188 N 3.88 0.73 -3.73 1.70 1.57 -1.37 0.47 116.57 119.82 3fds h LYS 188 Ca -0.48 -0.74 -0.11 0.00 -1.87 0.00 0.00 60.65 57.46 3fds h LYS 188 Cb 1.23 0.20 -0.16 0.00 0.08 0.00 0.00 32.23 33.57 3fds h LYS 188 CO 0.69 1.32 -0.43 -1.21 -0.57 0.00 0.00 179.45 179.25 3fds s GLU 189 N -3.42 0.72 -0.25 3.15 0.41 -1.15 -4.81 118.70 113.35 3fds s GLU 189 Ca -0.10 -0.79 -0.09 0.00 -0.41 0.00 0.00 54.97 53.58 3fds s GLU 189 Cb 0.07 0.29 0.11 0.00 -1.78 0.00 0.00 34.13 32.82 3fds s GLU 189 CO 0.92 -0.21 0.54 -1.17 -0.49 0.00 0.00 175.26 174.85 3fds s LEU 190 N -2.39 -0.89 -0.22 1.80 2.96 -1.26 -1.12 118.68 117.56 3fds s LEU 190 Ca -0.01 1.29 0.01 0.00 -0.22 0.00 0.00 54.13 55.20 3fds s LEU 190 Cb 0.01 1.85 0.05 0.00 0.50 0.00 0.00 46.19 48.60 3fds s LEU 190 CO -0.07 -0.23 -0.08 -0.55 -1.32 0.00 0.00 176.35 174.11 3fds s SER 191 N 2.72 3.66 -0.36 3.68 0.15 0.29 -5.02 113.70 118.82 3fds s SER 191 Ca -0.04 -1.05 -0.00 0.00 0.70 0.00 0.00 55.95 55.56 3fds s SER 191 Cb -0.12 -1.22 0.09 0.00 -1.71 0.00 0.00 66.02 63.06 3fds s SER 191 CO -0.16 -0.19 0.11 -0.63 1.20 0.00 0.00 173.24 173.57 3fds s ILE 192 N 1.38 2.87 -0.01 6.45 1.01 -1.26 -0.92 121.20 130.72 3fds s ILE 192 Ca -0.04 -2.01 -0.23 0.00 0.00 0.00 0.00 60.65 58.38 3fds s ILE 192 Cb -0.18 -2.94 -0.20 0.00 0.01 0.00 0.00 42.46 39.16 3fds s ILE 192 CO -0.07 -0.53 1.19 0.44 0.00 0.00 0.00 174.94 175.97 3fds h ASP 193 N 7.89 0.25 -5.06 3.58 3.45 -1.47 -3.47 116.42 121.60 3fds h ASP 193 Ca -0.12 -0.62 -0.11 0.00 0.43 0.00 0.00 57.03 56.61 3fds h ASP 193 Cb 1.04 -0.07 -0.18 0.00 -0.56 0.00 0.00 39.33 39.56 3fds h ASP 193 CO 0.60 0.82 -0.40 0.28 -1.57 0.00 0.00 179.24 178.98 3fds s THR 194 N -3.76 0.10 0.35 0.35 -1.32 -1.25 -5.09 115.64 105.02 3fds s THR 194 Ca -0.15 -0.85 -0.27 0.00 -1.21 0.00 0.00 61.69 59.21 3fds s THR 194 Cb 0.03 -0.85 -0.09 0.00 -1.51 0.00 0.00 72.50 70.08 3fds s THR 194 CO 0.74 -0.47 1.13 -0.94 -2.21 0.00 0.00 174.62 172.87 3fds s SER 195 N -1.98 6.83 -0.07 8.08 1.04 -1.26 -4.68 113.70 121.67 3fds s SER 195 Ca -0.06 2.29 -0.23 0.00 0.48 0.00 0.00 55.95 58.43 3fds s SER 195 Cb -0.02 -2.62 0.05 0.00 0.10 0.00 0.00 66.02 63.53 3fds s SER 195 CO -0.03 -0.45 0.52 0.00 0.98 0.00 0.00 173.24 174.26 3fds s ALA 196 N -1.36 -1.34 0.01 5.32 0.00 -1.26 -4.83 121.76 118.31 3fds s ALA 196 Ca 0.52 1.01 -0.09 0.00 0.00 0.00 0.00 51.96 53.41 3fds s ALA 196 Cb -0.30 -0.15 0.00 0.00 0.00 0.00 0.00 23.12 22.67 3fds s ALA 196 CO 0.38 -0.31 0.17 -1.54 0.00 0.00 0.00 175.76 174.47 3fds s SER 197 N -0.95 0.01 0.09 0.00 1.04 -1.26 -1.24 113.70 111.40 3fds s SER 197 Ca -0.10 -0.24 -0.19 0.00 0.48 0.00 0.00 55.95 55.91 3fds s SER 197 Cb -0.03 0.24 0.04 0.00 0.10 0.00 0.00 66.02 66.38 3fds s SER 197 CO 0.06 -0.44 0.45 -0.44 0.98 0.00 0.00 173.24 173.84 3fds s SER 198 N -1.63 -0.32 0.06 7.02 0.01 -0.73 -1.31 113.70 116.80 3fds s SER 198 Ca -0.11 -0.11 0.09 0.00 1.31 0.00 0.00 55.95 57.14 3fds s SER 198 Cb -0.05 0.48 -0.03 0.00 0.21 0.00 0.00 66.02 66.63 3fds s SER 198 CO 0.00 -0.79 -0.26 -0.44 0.41 0.00 0.00 173.24 172.16 3fds s SER 199 N -2.43 3.16 0.04 2.44 0.01 -1.26 -1.66 113.70 113.99 3fds s SER 199 Ca -0.01 -0.62 0.00 0.00 1.31 0.00 0.00 55.95 56.64 3fds s SER 199 Cb 0.00 -0.27 -0.03 0.00 0.21 0.00 0.00 66.02 65.94 3fds s SER 199 CO -0.08 0.24 -0.04 -0.31 0.41 0.00 0.00 173.24 173.46 3fds s TYR 200 N -0.85 0.43 -0.03 2.43 1.51 0.24 0.66 117.35 121.74 3fds s TYR 200 Ca 0.12 -0.69 -0.33 0.00 -1.01 0.00 0.00 57.07 55.16 3fds s TYR 200 Cb -0.10 -0.29 -0.11 0.00 -0.11 0.00 0.00 41.96 41.35 3fds s TYR 200 CO 0.03 -0.22 1.90 0.45 -1.11 0.00 0.00 175.55 176.60 3fds n SER 201 N 1.09 3.70 -0.06 2.29 2.88 -1.26 -0.35 113.62 121.90 3fds n SER 201 Ca -0.20 0.95 -0.00 0.00 -1.33 0.00 0.00 58.87 58.28 3fds n SER 201 Cb 0.57 -1.43 0.27 0.00 -0.75 0.00 0.00 64.21 62.87 3fds n SER 201 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3fds h ALA 202 N 9.52 1.37 -0.32 -1.46 0.00 -1.61 -1.93 119.26 124.83 3fds h ALA 202 Ca -0.49 -0.17 -0.16 0.00 0.00 0.00 0.00 54.91 54.09 3fds h ALA 202 Cb 1.26 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.86 3fds h ALA 202 CO 0.94 0.46 -0.44 0.93 0.00 0.00 0.00 179.25 181.14 3fds h GLU 203 N 0.65 0.81 -0.48 0.00 4.39 -1.90 -0.28 114.58 117.76 3fds h GLU 203 Ca 0.15 -0.45 -0.09 0.00 0.34 0.00 0.00 59.36 59.32 3fds h GLU 203 Cb 0.23 0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 28.89 3fds h GLU 203 CO -0.00 1.08 -0.04 0.52 -1.16 0.00 0.00 179.01 179.40 3fds h MET 204 N 0.65 0.84 -0.27 2.33 2.86 -1.92 -0.44 114.93 118.98 3fds h MET 204 Ca 0.04 -0.25 -0.01 0.00 -2.06 0.00 0.00 59.70 57.42 3fds h MET 204 Cb 1.01 -0.08 -0.01 0.00 0.06 0.00 0.00 31.60 32.58 3fds h MET 204 CO 0.10 0.87 0.12 0.35 1.06 0.00 0.00 176.91 179.41 3fds h PHE 205 N 0.77 0.40 -0.87 -0.22 3.57 -1.09 -1.56 116.94 117.94 3fds h PHE 205 Ca 0.14 -0.02 0.04 0.00 3.53 0.00 0.00 57.97 61.66 3fds h PHE 205 Cb 0.53 -0.12 -0.05 0.00 2.79 0.00 0.00 35.95 39.09 3fds h PHE 205 CO 0.03 0.39 0.55 -0.22 -2.23 0.00 0.00 178.31 176.83 3fds h LYS 206 N 0.30 1.03 -0.42 1.11 3.64 -0.80 -0.77 116.57 120.66 3fds h LYS 206 Ca 0.09 -0.06 -0.02 0.00 -1.27 0.00 0.00 60.65 59.39 3fds h LYS 206 Cb 0.14 -0.23 -0.02 0.00 -0.41 0.00 0.00 32.23 31.71 3fds h LYS 206 CO -0.01 0.68 0.18 -0.44 -2.27 0.00 0.00 179.45 177.59 3fds h ASP 207 N 1.06 0.57 -0.55 4.20 3.32 -0.87 0.22 116.42 124.37 3fds h ASP 207 Ca 0.36 -0.16 0.03 0.00 0.02 0.00 0.00 57.03 57.28 3fds h ASP 207 Cb 0.06 -0.15 -0.04 0.00 0.22 0.00 0.00 39.33 39.42 3fds h ASP 207 CO -0.13 0.57 0.32 0.00 -1.72 0.00 0.00 179.24 178.28 3fds h ALA 208 N 1.02 0.71 -0.72 3.45 0.00 -1.02 -2.28 119.26 120.42 3fds h ALA 208 Ca 0.14 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.03 3fds h ALA 208 Cb 0.17 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.78 3fds h ALA 208 CO -0.01 0.03 0.40 0.28 0.00 0.00 0.00 179.25 179.94 3fds h VAL 209 N 0.64 1.22 -0.68 0.00 2.07 -0.76 -1.32 116.25 117.42 3fds h VAL 209 Ca 0.23 -0.55 0.11 0.00 0.82 0.00 0.00 66.70 67.30 3fds h VAL 209 Cb 0.05 0.27 -0.04 0.00 -1.52 0.00 0.00 31.29 30.05 3fds h VAL 209 CO -0.11 0.24 0.45 0.11 0.02 0.00 0.00 177.57 178.28 3fds h LYS 210 N 1.00 0.46 0.00 1.57 1.57 -0.76 -1.67 116.57 118.74 3fds h LYS 210 Ca 0.25 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 59.01 3fds h LYS 210 Cb 0.04 -0.10 0.00 0.00 0.08 0.00 0.00 32.23 32.24 3fds h LYS 210 CO -0.04 0.31 0.00 0.41 -0.57 0.00 0.00 179.45 179.55 3fds n GLY 211 N -1.50 -0.65 0.30 3.86 0.00 -0.50 -2.54 105.19 104.16 3fds n GLY 211 Ca 0.12 -0.09 0.13 0.00 0.00 0.00 0.00 46.02 46.19 3fds n GLY 211 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3fds n LEU 212 N -1.15 1.09 -4.76 0.99 4.77 -0.63 -4.73 117.00 112.59 3fds n LEU 212 Ca 0.09 -0.30 -0.41 0.00 -0.03 0.00 0.00 56.01 55.36 3fds n LEU 212 Cb 0.09 -0.09 -0.02 0.00 -2.33 0.00 0.00 43.42 41.08 3fds n LEU 212 CO 0.10 0.19 1.08 -0.60 -1.33 0.00 0.00 177.39 176.84 3fds s ARG 213 N -2.32 4.26 0.00 3.23 6.06 -1.05 -2.84 118.95 126.28 3fds s ARG 213 Ca 0.30 2.34 0.00 0.00 -2.50 0.00 0.00 55.73 55.87 3fds s ARG 213 Cb 0.20 -3.06 0.00 0.00 0.06 0.00 0.00 34.95 32.14 3fds s ARG 213 CO 0.45 -0.38 0.00 0.41 -2.50 0.00 0.00 175.30 173.28 3fds n GLY 214 N 1.43 3.06 3.69 8.12 0.00 -1.26 -4.90 105.19 115.32 3fds n GLY 214 Ca 0.04 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.67 3fds n GLY 214 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3fds s PHE 215 N -2.42 3.45 -0.07 1.61 0.40 -1.13 -4.96 117.98 114.86 3fds s PHE 215 Ca 0.00 0.91 0.14 0.00 -0.60 0.00 0.00 56.93 57.37 3fds s PHE 215 Cb 0.00 -2.67 -0.10 0.00 0.51 0.00 0.00 43.02 40.76 3fds s PHE 215 CO 0.00 0.01 1.09 0.66 0.70 0.00 0.00 175.22 177.68 3fds h SER 216 N 7.10 0.00 -3.35 1.36 4.64 -1.88 -3.48 113.55 117.93 3fds h SER 216 Ca -0.37 0.00 -0.56 0.00 -0.47 0.00 0.00 61.79 60.39 3fds h SER 216 Cb 1.17 0.00 0.18 0.00 -0.31 0.00 0.00 62.40 63.44 3fds h SER 216 CO 0.75 0.70 -0.21 0.00 -0.87 0.00 0.00 176.83 177.20 3fds n ALA 217 N -2.36 -0.94 -1.55 5.18 0.00 -1.26 -4.91 120.51 114.68 3fds n ALA 217 Ca -0.05 -0.16 -0.42 0.00 0.00 0.00 0.00 53.44 52.81 3fds n ALA 217 Cb 0.86 -1.94 0.01 0.00 0.00 0.00 0.00 19.45 18.37 3fds n ALA 217 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 3fds n PRO 218 N -0.93 1.00 -4.06 0.00 -0.04 -1.26 -4.82 135.00 124.89 3fds n PRO 218 Ca 0.11 0.36 -0.35 0.00 -0.04 0.00 0.00 63.50 63.59 3fds n PRO 218 Cb 0.49 -1.81 -0.09 0.00 -0.04 0.00 0.00 33.50 32.04 3fds n PRO 218 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 3fds s THR 219 N -1.34 4.79 -0.18 0.52 2.01 0.17 -4.48 115.64 117.12 3fds s THR 219 Ca 0.64 -0.04 -0.09 0.00 0.31 0.00 0.00 61.69 62.50 3fds s THR 219 Cb -0.58 -3.12 -0.05 0.00 0.01 0.00 0.00 72.50 68.76 3fds s THR 219 CO 0.57 0.51 0.12 -0.32 -0.69 0.00 0.00 174.62 174.80 3fds s MET 220 N -0.04 3.99 -0.07 4.92 1.75 -0.08 -0.92 119.30 128.84 3fds s MET 220 Ca 0.06 -0.23 0.04 0.00 -1.25 0.00 0.00 55.69 54.32 3fds s MET 220 Cb -0.12 -3.33 -0.02 0.00 2.84 0.00 0.00 34.83 34.20 3fds s MET 220 CO 0.01 0.39 -0.20 0.08 -0.65 0.00 0.00 175.02 174.66 3fds s VAL 221 N 0.07 2.55 0.01 10.11 1.01 -0.32 -0.82 120.40 133.02 3fds s VAL 221 Ca 0.09 -0.89 0.02 0.00 0.00 0.00 0.00 61.98 61.20 3fds s VAL 221 Cb -0.11 -1.98 -0.01 0.00 0.00 0.00 0.00 36.38 34.28 3fds s VAL 221 CO -0.00 0.57 -0.07 -0.44 0.00 0.00 0.00 175.10 175.16 3fds s SER 222 N -0.28 0.79 0.28 3.32 0.01 0.18 -0.40 113.70 117.59 3fds s SER 222 Ca 0.01 -0.28 -0.14 0.00 1.31 0.00 0.00 55.95 56.85 3fds s SER 222 Cb -0.13 -0.04 0.01 0.00 0.21 0.00 0.00 66.02 66.07 3fds s SER 222 CO 0.03 -0.03 0.58 0.72 0.41 0.00 0.00 173.24 174.95 3fds s PHE 223 N -0.60 0.26 0.36 2.43 -0.12 -0.71 -0.52 117.98 119.08 3fds s PHE 223 Ca -0.02 -0.67 -0.00 0.00 -0.05 0.00 0.00 56.93 56.19 3fds s PHE 223 Cb -0.05 0.37 0.00 0.00 -0.63 0.00 0.00 43.02 42.71 3fds s PHE 223 CO 0.00 -1.14 0.47 0.20 -0.05 0.00 0.00 175.22 174.70 3fds s GLY 224 N -3.02 1.70 -0.30 1.99 0.00 -1.26 -1.79 107.32 104.63 3fds s GLY 224 Ca 0.19 -1.64 -0.28 0.00 0.00 0.00 0.00 44.72 42.99 3fds s GLY 224 CO 0.10 -1.07 1.87 1.85 0.00 0.00 0.00 173.10 175.85 3fds s GLU 225 N -2.94 3.32 -1.50 2.90 2.56 -1.26 -2.82 118.70 118.96 3fds s GLU 225 Ca 0.32 1.55 -0.11 0.00 0.00 0.00 0.00 54.97 56.73 3fds s GLU 225 Cb -0.00 -4.22 0.07 0.00 2.00 0.00 0.00 34.13 31.97 3fds s GLU 225 CO 0.23 -1.88 0.93 0.09 -0.56 0.00 0.00 175.26 174.07 3fds n ASN 226 N 10.47 -4.19 -4.42 -1.70 3.02 -0.43 -4.96 115.26 113.05 3fds n ASN 226 Ca 0.24 -0.79 -0.21 0.00 -0.03 0.00 0.00 54.58 53.79 3fds n ASN 226 Cb 0.46 -3.90 -0.10 0.00 -0.61 0.00 0.00 39.78 35.63 3fds n ASN 226 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3fds s LEU 227 N -7.19 2.52 0.56 3.41 1.43 -1.13 -4.88 118.68 113.41 3fds s LEU 227 Ca 0.55 -1.14 -0.19 0.00 -1.03 0.00 0.00 54.13 52.32 3fds s LEU 227 Cb -0.28 -0.71 -0.06 0.00 0.03 0.00 0.00 46.19 45.17 3fds s LEU 227 CO 0.83 -0.26 0.92 -2.65 0.23 0.00 0.00 176.35 175.41 3fds n PRO 228 N -0.55 0.95 -3.47 1.29 -0.02 -1.26 -4.33 135.00 127.60 3fds n PRO 228 Ca -0.06 0.36 -0.38 0.00 -2.02 0.00 0.00 63.50 61.40 3fds n PRO 228 Cb 0.62 -2.09 -0.06 0.00 -0.02 0.00 0.00 33.50 31.95 3fds n PRO 228 CO 0.00 0.00 0.00 1.41 1.98 0.00 0.00 175.50 178.89 3fds s MET 229 N -2.53 4.02 -0.10 -0.52 1.75 0.02 -4.33 119.30 117.60 3fds s MET 229 Ca 0.72 0.40 0.01 0.00 -1.25 0.00 0.00 55.69 55.57 3fds s MET 229 Cb -0.45 -3.27 -0.02 0.00 2.84 0.00 0.00 34.83 33.93 3fds s MET 229 CO 0.50 0.57 -0.11 0.21 -0.65 0.00 0.00 175.02 175.53 3fds s LYS 230 N -0.68 3.09 -0.11 4.11 2.20 0.32 -0.64 119.74 128.02 3fds s LYS 230 Ca 0.24 -0.65 0.01 0.00 -0.36 0.00 0.00 55.97 55.20 3fds s LYS 230 Cb -0.16 -2.59 0.02 0.00 -1.51 0.00 0.00 37.83 33.59 3fds s LYS 230 CO 0.12 0.39 -0.11 0.42 -0.36 0.00 0.00 175.35 175.82 3fds s ILE 231 N -0.11 1.21 -0.03 5.43 1.01 0.77 -0.65 121.20 128.83 3fds s ILE 231 Ca -0.01 -0.44 0.00 0.00 0.00 0.00 0.00 60.65 60.20 3fds s ILE 231 Cb -0.14 -1.16 0.03 0.00 0.01 0.00 0.00 42.46 41.20 3fds s ILE 231 CO 0.03 0.39 -0.00 -0.62 0.00 0.00 0.00 174.94 174.74 3fds s ASP 232 N 1.29 0.61 -0.03 3.58 -1.08 -0.00 -0.28 116.67 120.77 3fds s ASP 232 Ca -0.02 -0.04 0.02 0.00 -0.52 0.00 0.00 52.55 51.99 3fds s ASP 232 Cb -0.14 -0.26 0.01 0.00 -1.46 0.00 0.00 42.92 41.07 3fds s ASP 232 CO -0.04 -0.11 -0.07 0.54 0.52 0.00 0.00 175.17 176.00 3fds s VAL 233 N 1.14 0.66 -0.20 1.11 0.11 -0.57 -0.90 120.40 121.75 3fds s VAL 233 Ca -0.08 -0.27 -0.12 0.00 -2.93 0.00 0.00 61.98 58.58 3fds s VAL 233 Cb -0.13 -0.61 -0.05 0.00 -1.53 0.00 0.00 36.38 34.06 3fds s VAL 233 CO -0.02 0.22 0.20 -0.70 -3.33 0.00 0.00 175.10 171.47 3fds s GLU 234 N 0.37 4.18 0.50 1.54 2.12 -1.26 -1.33 118.70 124.82 3fds s GLU 234 Ca -0.05 -0.11 -0.21 0.00 0.36 0.00 0.00 54.97 54.95 3fds s GLU 234 Cb -0.10 -3.46 -0.07 0.00 0.26 0.00 0.00 34.13 30.77 3fds s GLU 234 CO 0.00 0.21 1.12 0.00 -0.54 0.00 0.00 175.26 176.05 3fds s ALA 235 N 0.61 2.83 0.34 6.30 0.00 0.24 -4.32 121.76 127.77 3fds s ALA 235 Ca 0.11 0.83 0.10 0.00 0.00 0.00 0.00 51.96 53.00 3fds s ALA 235 Cb -0.12 -3.35 0.87 0.00 0.00 0.00 0.00 23.12 20.52 3fds s ALA 235 CO 0.02 -0.64 1.78 0.28 0.00 0.00 0.00 175.76 177.20 3fds h VAL 236 N 1.53 0.65 -0.02 0.00 2.07 -1.96 -1.30 116.25 117.23 3fds h VAL 236 Ca -0.50 -0.22 0.00 0.00 0.82 0.00 0.00 66.70 66.81 3fds h VAL 236 Cb 1.25 -0.03 0.00 0.00 -1.52 0.00 0.00 31.29 30.99 3fds h VAL 236 CO 0.59 0.11 -0.01 -1.54 0.02 0.00 0.00 177.57 176.74 3fds n SER 237 N -4.71 1.71 0.00 0.57 3.41 -1.26 -5.03 113.62 108.31 3fds n SER 237 Ca 0.23 -1.56 0.00 0.00 -0.26 0.00 0.00 58.87 57.28 3fds n SER 237 Cb 0.66 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.62 3fds n SER 237 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3fds n GLY 238 N 1.20 2.83 0.00 5.00 0.00 -0.49 -4.89 105.19 108.85 3fds n GLY 238 Ca 0.18 -1.89 0.00 0.00 0.00 0.00 0.00 46.02 44.31 3fds n GLY 238 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3fds n GLY 239 N 0.30 -2.49 3.39 -0.02 0.00 -1.26 -4.45 105.19 100.66 3fds n GLY 239 Ca 0.00 -1.43 -0.29 0.00 0.00 0.00 0.00 46.02 44.30 3fds n GLY 239 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3fds s HIS 240 N -3.24 2.33 -0.20 1.61 0.09 0.10 -0.59 115.29 115.40 3fds s HIS 240 Ca 0.00 -0.38 -0.05 0.00 -0.00 0.00 0.00 55.06 54.64 3fds s HIS 240 Cb 0.00 -1.29 -0.02 0.00 -0.00 0.00 0.00 32.58 31.27 3fds s HIS 240 CO 0.00 0.30 -0.01 1.41 -0.00 0.00 0.00 174.74 176.43 3fds s MET 241 N -1.89 3.58 -0.02 1.40 1.75 -0.44 -1.15 119.30 122.53 3fds s MET 241 Ca 0.14 -0.54 0.04 0.00 -1.25 0.00 0.00 55.69 54.08 3fds s MET 241 Cb -0.10 -3.04 -0.01 0.00 2.84 0.00 0.00 34.83 34.52 3fds s MET 241 CO 0.05 0.01 -0.14 0.42 -0.65 0.00 0.00 175.02 174.71 3fds s ILE 242 N 1.00 1.15 -0.00 10.11 1.01 0.35 -1.51 121.20 133.31 3fds s ILE 242 Ca 0.01 -0.60 0.08 0.00 0.00 0.00 0.00 60.65 60.14 3fds s ILE 242 Cb -0.14 -0.98 -0.02 0.00 0.01 0.00 0.00 42.46 41.33 3fds s ILE 242 CO 0.01 0.33 -0.25 -0.36 0.00 0.00 0.00 174.94 174.68 3fds s PHE 243 N -0.16 2.19 -0.03 3.97 0.40 0.62 -0.05 117.98 124.92 3fds s PHE 243 Ca 0.02 -0.41 0.06 0.00 -0.60 0.00 0.00 56.93 55.99 3fds s PHE 243 Cb -0.08 -1.39 -0.02 0.00 0.51 0.00 0.00 43.02 42.05 3fds s PHE 243 CO 0.00 -0.00 -0.19 -1.58 0.70 0.00 0.00 175.22 174.15 3fds s TRP 244 N -0.62 2.55 -0.10 0.36 0.52 -0.46 -0.16 118.94 121.03 3fds s TRP 244 Ca 0.10 -0.27 0.00 0.00 0.02 0.00 0.00 56.10 55.95 3fds s TRP 244 Cb -0.09 -1.57 0.02 0.00 -1.15 0.00 0.00 33.47 30.68 3fds s TRP 244 CO -0.00 0.11 -0.10 0.42 0.02 0.00 0.00 176.95 177.40 3fds s ILE 245 N -0.71 1.13 0.46 2.03 1.01 0.18 -1.06 121.20 124.24 3fds s ILE 245 Ca 0.11 -0.39 -0.22 0.00 0.00 0.00 0.00 60.65 60.15 3fds s ILE 245 Cb -0.10 -1.10 -0.08 0.00 0.01 0.00 0.00 42.46 41.19 3fds s ILE 245 CO 0.00 0.38 1.11 0.00 0.00 0.00 0.00 174.94 176.43 3fds s ALA 246 N 1.39 2.96 0.69 9.38 0.00 0.30 -0.80 121.76 135.67 3fds s ALA 246 Ca -0.00 0.81 -0.11 0.00 0.00 0.00 0.00 51.96 52.66 3fds s ALA 246 Cb -0.13 -3.33 0.00 0.00 0.00 0.00 0.00 23.12 19.65 3fds s ALA 246 CO -0.05 -0.50 1.08 -1.25 0.00 0.00 0.00 175.76 175.03 3fds s PRO 247 N -2.78 3.03 -0.12 0.00 0.04 -1.26 -4.67 135.00 129.24 3fds s PRO 247 Ca 0.64 0.55 -0.23 0.00 0.04 0.00 0.00 61.00 62.00 3fds s PRO 247 Cb -0.25 -2.03 -0.03 0.00 0.04 0.00 0.00 34.50 32.23 3fds s PRO 247 CO 0.30 -0.93 0.70 1.03 0.04 0.00 0.00 177.00 178.14 3fds s ARG 248 N -5.30 4.35 0.00 4.56 1.81 0.21 -4.97 118.95 119.61 3fds s ARG 248 Ca 0.57 0.83 0.19 0.00 -1.72 0.00 0.00 55.73 55.60 3fds s ARG 248 Cb -0.11 -3.50 0.15 0.00 -0.45 0.00 0.00 34.95 31.04 3fds s ARG 248 CO 0.53 -0.08 1.10 1.28 -0.68 0.00 0.00 175.30 177.44