#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bjg h GLN 3 N 0.00 0.77 0.07 1.64 7.50 -1.99 -2.44 115.11 120.66 1bjg h GLN 3 Ca 0.00 -0.28 -0.00 0.00 0.50 0.00 0.00 58.65 58.86 1bjg h GLN 3 Cb 0.00 -0.05 0.00 0.00 0.05 0.00 0.00 27.48 27.48 1bjg h GLN 3 CO 0.00 0.89 -0.04 -0.92 -1.50 0.00 0.00 178.83 177.26 1bjg h TYR 4 N 0.68 -0.09 -0.62 2.96 3.20 -2.01 -2.38 116.97 118.71 1bjg h TYR 4 Ca 0.10 -0.00 -0.02 0.00 3.14 0.00 0.00 58.73 61.95 1bjg h TYR 4 Cb 0.67 0.03 -0.03 0.00 1.54 0.00 0.00 36.73 38.94 1bjg h TYR 4 CO 0.03 0.20 0.32 -0.07 -1.64 0.00 0.00 178.16 177.00 1bjg h LEU 5 N -0.39 0.77 -0.90 2.82 3.38 -1.99 -1.69 115.31 117.31 1bjg h LEU 5 Ca -0.01 -0.07 0.01 0.00 0.09 0.00 0.00 57.88 57.90 1bjg h LEU 5 Cb 0.33 -0.20 -0.05 0.00 0.09 0.00 0.00 40.66 40.84 1bjg h LEU 5 CO 0.02 0.64 0.60 -0.08 0.09 0.00 0.00 178.44 179.71 1bjg h GLU 6 N 0.87 1.19 -0.14 1.13 4.81 -1.36 -0.96 114.58 120.11 1bjg h GLU 6 Ca 0.22 -0.07 -0.06 0.00 -0.13 0.00 0.00 59.36 59.32 1bjg h GLU 6 Cb 0.06 -0.27 -0.00 0.00 0.63 0.00 0.00 28.75 29.17 1bjg h GLU 6 CO -0.03 0.79 -0.13 1.25 -0.73 0.00 0.00 179.01 180.15 1bjg h LEU 7 N 1.22 0.37 -0.36 1.64 6.46 -0.85 -1.15 115.31 122.65 1bjg h LEU 7 Ca 0.33 -0.47 0.07 0.00 -0.12 0.00 0.00 57.88 57.69 1bjg h LEU 7 Cb -0.14 -0.10 -0.07 0.00 -0.73 0.00 0.00 40.66 39.62 1bjg h LEU 7 CO -0.07 0.76 -0.11 0.24 -0.62 0.00 0.00 178.44 178.64 1bjg h MET 8 N -0.02 -0.03 -0.45 1.25 2.86 -0.95 0.14 114.93 117.72 1bjg h MET 8 Ca 0.02 0.00 0.01 0.00 -2.06 0.00 0.00 59.70 57.68 1bjg h MET 8 Cb 0.66 0.01 -0.03 0.00 0.06 0.00 0.00 31.60 32.30 1bjg h MET 8 CO 0.03 -0.02 0.28 0.37 1.06 0.00 0.00 176.91 178.63 1bjg h GLN 9 N -0.04 0.55 -0.55 1.72 5.75 -1.16 -1.30 115.11 120.09 1bjg h GLN 9 Ca 0.17 -0.03 0.08 0.00 -0.15 0.00 0.00 58.65 58.72 1bjg h GLN 9 Cb 0.30 -0.12 -0.06 0.00 1.07 0.00 0.00 27.48 28.66 1bjg h GLN 9 CO -0.39 0.36 0.19 -0.22 -2.65 0.00 0.00 178.83 176.13 1bjg h LYS 10 N 0.57 0.36 -0.65 1.69 3.64 0.22 0.17 116.57 122.56 1bjg h LYS 10 Ca 0.18 -0.02 -0.06 0.00 -1.27 0.00 0.00 60.65 59.47 1bjg h LYS 10 Cb -0.02 -0.08 -0.03 0.00 -0.41 0.00 0.00 32.23 31.69 1bjg h LYS 10 CO -0.07 0.24 0.17 0.28 -2.27 0.00 0.00 179.45 177.80 1bjg h VAL 11 N 0.37 1.25 0.15 2.00 2.07 -0.34 0.27 116.25 122.01 1bjg h VAL 11 Ca 0.27 -0.90 -0.01 0.00 0.82 0.00 0.00 66.70 66.88 1bjg h VAL 11 Cb 0.31 0.57 0.00 0.00 -1.52 0.00 0.00 31.29 30.65 1bjg h VAL 11 CO -0.28 0.34 -0.07 -0.07 0.02 0.00 0.00 177.57 177.51 1bjg h LEU 12 N 0.97 -0.17 -0.36 2.57 3.38 -0.02 0.17 115.31 121.86 1bjg h LEU 12 Ca 0.21 -0.12 -0.15 0.00 0.09 0.00 0.00 57.88 57.91 1bjg h LEU 12 Cb 0.33 0.04 -0.02 0.00 0.09 0.00 0.00 40.66 41.10 1bjg h LEU 12 CO -0.00 0.02 -0.73 0.44 0.09 0.00 0.00 178.44 178.26 1bjg h ASP 13 N -0.35 0.00 -0.00 -0.43 3.32 -0.58 -3.37 116.42 115.01 1bjg h ASP 13 Ca -0.02 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.03 1bjg h ASP 13 Cb 0.28 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.83 1bjg h ASP 13 CO 0.03 0.73 -0.09 -0.62 -1.72 0.00 0.00 179.24 177.57 1bjg n GLU 14 N -3.49 3.13 -2.24 3.56 1.02 0.92 -5.05 120.64 118.49 1bjg n GLU 14 Ca -0.00 -0.32 -0.38 0.00 -0.02 0.00 0.00 57.16 56.44 1bjg n GLU 14 Cb 0.75 -0.84 -0.01 0.00 -0.02 0.00 0.00 31.44 31.32 1bjg n GLU 14 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 1bjg s GLY 15 N -0.89 2.87 0.18 0.62 0.00 0.60 -4.86 107.32 105.85 1bjg s GLY 15 Ca 0.03 1.02 0.03 0.00 0.00 0.00 0.00 44.72 45.80 1bjg s GLY 15 CO 0.10 1.55 0.29 -1.08 0.00 0.00 0.00 173.10 173.96 1bjg s THR 16 N -1.39 5.21 0.09 0.90 -1.32 -0.39 -4.64 115.64 114.10 1bjg s THR 16 Ca 0.58 -0.82 -0.30 0.00 -1.21 0.00 0.00 61.69 59.94 1bjg s THR 16 Cb -0.32 -3.72 -0.05 0.00 -1.51 0.00 0.00 72.50 66.89 1bjg s THR 16 CO 0.40 -0.16 1.06 -1.10 -2.21 0.00 0.00 174.62 172.61 1bjg s GLN 17 N -3.43 4.57 -0.18 7.08 -0.21 -1.26 -0.53 119.66 125.71 1bjg s GLN 17 Ca 0.34 1.59 -0.16 0.00 0.02 0.00 0.00 55.36 57.14 1bjg s GLN 17 Cb -0.10 -3.37 0.05 0.00 1.00 0.00 0.00 33.01 30.59 1bjg s GLN 17 CO 0.28 0.00 0.48 0.21 -2.12 0.00 0.00 175.29 174.14 1bjg s LYS 18 N 0.41 0.55 0.13 2.91 2.20 -0.49 -4.95 119.74 120.51 1bjg s LYS 18 Ca 0.52 0.66 -0.03 0.00 -0.36 0.00 0.00 55.97 56.76 1bjg s LYS 18 Cb -0.26 0.27 -0.05 0.00 -1.51 0.00 0.00 37.83 36.28 1bjg s LYS 18 CO 0.31 -0.07 0.34 -0.80 -0.36 0.00 0.00 175.35 174.77 1bjg s ASN 19 N 0.27 6.44 0.57 1.43 -0.87 -1.26 0.38 114.94 121.90 1bjg s ASN 19 Ca -0.00 0.47 0.05 0.00 -1.57 0.00 0.00 52.86 51.81 1bjg s ASN 19 Cb -0.03 -2.04 0.07 0.00 -0.02 0.00 0.00 41.25 39.22 1bjg s ASN 19 CO 0.00 0.06 0.79 1.51 -2.57 0.00 0.00 177.10 176.90 1bjg s ASP 20 N -2.60 5.07 0.48 -1.22 -4.77 -0.94 -4.93 116.67 107.76 1bjg s ASP 20 Ca 0.39 -0.45 0.34 0.00 -3.30 0.00 0.00 52.55 49.53 1bjg s ASP 20 Cb -0.12 -0.25 1.47 0.00 -1.09 0.00 0.00 42.92 42.93 1bjg s ASP 20 CO 0.26 -1.30 1.68 0.08 0.70 0.00 0.00 175.17 176.58 1bjg h ARG 21 N 0.08 0.09 0.00 2.11 0.11 -1.99 -3.28 114.38 111.49 1bjg h ARG 21 Ca -0.36 -0.01 0.00 0.00 0.10 0.00 0.00 59.98 59.71 1bjg h ARG 21 Cb 1.28 -0.02 0.00 0.00 1.11 0.00 0.00 29.97 32.34 1bjg h ARG 21 CO 0.44 0.06 0.00 0.25 0.10 0.00 0.00 179.97 180.82 1bjg n THR 22 N -4.41 0.00 -1.14 0.08 -2.24 -1.26 -5.01 114.28 100.30 1bjg n THR 22 Ca 0.34 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 62.12 1bjg n THR 22 Cb 1.43 -0.09 0.00 0.00 -2.10 0.00 0.00 70.33 69.57 1bjg n THR 22 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1bjg n GLY 23 N 3.76 1.00 3.69 3.38 0.00 -1.24 -5.10 105.19 110.68 1bjg n GLY 23 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 1bjg n GLY 23 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1bjg s THR 24 N 0.00 3.38 0.65 2.61 2.01 -1.26 -4.76 115.64 118.27 1bjg s THR 24 Ca 0.00 0.79 -0.13 0.00 0.31 0.00 0.00 61.69 62.66 1bjg s THR 24 Cb 0.00 -3.51 -0.01 0.00 0.01 0.00 0.00 72.50 68.99 1bjg s THR 24 CO 0.00 -0.01 1.06 -0.83 -0.69 0.00 0.00 174.62 174.15 1bjg s GLY 25 N 2.20 1.88 0.05 4.40 0.00 -1.26 -2.21 107.32 112.37 1bjg s GLY 25 Ca 0.69 0.23 -0.01 0.00 0.00 0.00 0.00 44.72 45.63 1bjg s GLY 25 CO 0.29 0.54 -0.03 -0.51 0.00 0.00 0.00 173.10 173.40 1bjg s THR 26 N -2.77 0.23 -0.26 0.90 -4.23 0.16 -1.02 115.64 108.65 1bjg s THR 26 Ca 0.61 -1.68 -0.08 0.00 -1.18 0.00 0.00 61.69 59.35 1bjg s THR 26 Cb -0.15 -1.34 -0.03 0.00 1.34 0.00 0.00 72.50 72.32 1bjg s THR 26 CO 0.47 -0.92 0.11 -0.76 -0.54 0.00 0.00 174.62 172.98 1bjg s LEU 27 N -2.70 3.65 0.01 4.79 1.43 -0.26 -1.40 118.68 124.19 1bjg s LEU 27 Ca 0.04 -0.19 0.06 0.00 -1.03 0.00 0.00 54.13 53.00 1bjg s LEU 27 Cb 0.05 -1.98 -0.02 0.00 0.03 0.00 0.00 46.19 44.28 1bjg s LEU 27 CO -0.08 -0.05 -0.17 -0.55 0.23 0.00 0.00 176.35 175.72 1bjg s SER 28 N 1.65 2.05 0.14 2.29 0.15 0.31 -1.78 113.70 118.51 1bjg s SER 28 Ca 0.06 -0.37 0.07 0.00 0.70 0.00 0.00 55.95 56.42 1bjg s SER 28 Cb -0.16 -0.20 -0.04 0.00 -1.71 0.00 0.00 66.02 63.91 1bjg s SER 28 CO 0.06 0.18 -0.17 0.27 1.20 0.00 0.00 173.24 174.78 1bjg s ILE 29 N -0.54 1.60 -0.18 6.45 -4.36 -0.41 -1.27 121.20 122.49 1bjg s ILE 29 Ca 0.06 -1.79 0.01 0.00 -0.26 0.00 0.00 60.65 58.67 1bjg s ILE 29 Cb -0.07 -1.68 0.02 0.00 1.25 0.00 0.00 42.46 41.98 1bjg s ILE 29 CO 0.00 -0.33 -0.18 0.12 0.24 0.00 0.00 174.94 174.79 1bjg s PHE 30 N -2.00 2.74 0.00 1.37 5.36 -1.26 -1.16 117.98 123.04 1bjg s PHE 30 Ca 0.12 -1.66 0.00 0.00 -0.96 0.00 0.00 56.93 54.43 1bjg s PHE 30 Cb -0.06 -1.88 0.00 0.00 -0.34 0.00 0.00 43.02 40.74 1bjg s PHE 30 CO 0.05 -0.80 0.00 0.41 -1.46 0.00 0.00 175.22 173.42 1bjg n GLY 31 N 4.62 -0.87 3.33 13.12 0.00 -0.80 -5.02 105.19 119.58 1bjg n GLY 31 Ca -0.20 -0.74 -0.14 0.00 0.00 0.00 0.00 46.02 44.94 1bjg n GLY 31 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1bjg s HIS 32 N 0.00 -0.40 -0.02 1.61 5.04 -1.11 -4.99 115.29 115.43 1bjg s HIS 32 Ca 0.00 0.83 0.00 0.00 -1.54 0.00 0.00 55.06 54.35 1bjg s HIS 32 Cb 0.00 0.18 0.02 0.00 0.04 0.00 0.00 32.58 32.82 1bjg s HIS 32 CO 0.00 -0.36 0.02 -1.14 -2.34 0.00 0.00 174.74 170.91 1bjg s GLN 33 N -0.62 0.04 0.20 2.88 0.74 -1.26 -0.80 119.66 120.83 1bjg s GLN 33 Ca -0.07 0.12 0.08 0.00 0.05 0.00 0.00 55.36 55.53 1bjg s GLN 33 Cb -0.03 -0.23 -0.05 0.00 1.10 0.00 0.00 33.01 33.80 1bjg s GLN 33 CO 0.04 -0.11 -0.16 -1.64 -0.55 0.00 0.00 175.29 172.86 1bjg s MET 34 N 0.77 1.34 -0.05 1.67 -1.94 0.02 -4.97 119.30 116.13 1bjg s MET 34 Ca -0.07 -1.56 0.01 0.00 -1.71 0.00 0.00 55.69 52.37 1bjg s MET 34 Cb -0.10 -1.21 0.02 0.00 2.01 0.00 0.00 34.83 35.55 1bjg s MET 34 CO -0.02 0.21 -0.06 0.50 -0.01 0.00 0.00 175.02 175.64 1bjg s ARG 35 N -3.43 1.00 -0.24 2.03 3.52 -1.26 -0.65 118.95 119.93 1bjg s ARG 35 Ca 0.21 -0.17 0.01 0.00 -0.13 0.00 0.00 55.73 55.65 1bjg s ARG 35 Cb -0.02 -0.95 0.04 0.00 -1.56 0.00 0.00 34.95 32.45 1bjg s ARG 35 CO 0.07 -0.06 -0.12 -0.06 -0.81 0.00 0.00 175.30 174.33 1bjg s PHE 36 N 0.87 3.08 -0.40 5.12 0.40 0.03 -4.97 117.98 122.11 1bjg s PHE 36 Ca -0.12 -1.90 -0.29 0.00 -0.60 0.00 0.00 56.93 54.03 1bjg s PHE 36 Cb -0.15 -1.97 0.01 0.00 0.51 0.00 0.00 43.02 41.42 1bjg s PHE 36 CO 0.01 -0.81 1.35 1.21 0.70 0.00 0.00 175.22 177.68 1bjg s ASN 37 N 1.22 6.45 0.44 1.36 3.84 -1.26 -1.03 114.94 125.96 1bjg s ASN 37 Ca -0.02 0.87 0.31 0.00 0.21 0.00 0.00 52.86 54.22 1bjg s ASN 37 Cb -0.17 -2.54 1.43 0.00 -0.55 0.00 0.00 41.25 39.42 1bjg s ASN 37 CO -0.07 -1.33 1.92 -0.07 -2.79 0.00 0.00 177.10 174.76 1bjg h LEU 38 N 11.78 0.00 -0.84 3.21 3.38 -1.27 -0.80 115.31 130.78 1bjg h LEU 38 Ca -0.27 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.70 1bjg h LEU 38 Cb 1.10 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.85 1bjg h LEU 38 CO 1.08 0.00 0.00 -0.61 0.09 0.00 0.00 178.44 179.00 1bjg h GLN 39 N 0.00 0.00 -0.00 1.13 5.75 -1.79 -3.04 115.11 117.16 1bjg h GLN 39 Ca 0.00 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.50 1bjg h GLN 39 Cb 0.27 0.00 0.00 0.00 1.07 0.00 0.00 27.48 28.82 1bjg h GLN 39 CO 0.00 0.00 -0.01 -0.25 -2.65 0.00 0.00 178.83 175.92 1bjg n ASP 40 N -2.97 0.25 0.00 -0.69 8.00 -0.30 -5.00 116.55 115.84 1bjg n ASP 40 Ca 0.02 -0.94 0.00 0.00 0.71 0.00 0.00 54.79 54.58 1bjg n ASP 40 Cb 0.38 -0.04 0.00 0.00 -0.02 0.00 0.00 41.12 41.44 1bjg n ASP 40 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1bjg n GLY 41 N 1.08 3.51 3.67 0.44 0.00 -1.15 -4.77 105.19 107.97 1bjg n GLY 41 Ca 0.21 -1.85 -0.43 0.00 0.00 0.00 0.00 46.02 43.96 1bjg n GLY 41 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1bjg s PHE 42 N -2.59 2.76 -0.72 1.61 5.36 -0.26 -4.66 117.98 119.48 1bjg s PHE 42 Ca 0.00 0.90 -0.14 0.00 -0.96 0.00 0.00 56.93 56.73 1bjg s PHE 42 Cb 0.00 -3.57 -0.11 0.00 -0.34 0.00 0.00 43.02 39.00 1bjg s PHE 42 CO 0.00 -2.02 1.90 -0.35 -1.46 0.00 0.00 175.22 173.29 1bjg n PRO 43 N 6.42 1.53 -3.96 10.12 -0.04 -1.26 -3.98 135.00 143.82 1bjg n PRO 43 Ca 0.14 -1.51 -0.35 0.00 -0.04 0.00 0.00 63.50 61.74 1bjg n PRO 43 Cb 0.45 -2.61 -0.13 0.00 -0.04 0.00 0.00 33.50 31.16 1bjg n PRO 43 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 1bjg s LEU 44 N 0.54 3.06 -0.06 1.53 2.96 -1.26 -4.10 118.68 121.34 1bjg s LEU 44 Ca 0.45 -0.31 -0.38 0.00 -0.22 0.00 0.00 54.13 53.67 1bjg s LEU 44 Cb 0.11 -1.78 -0.16 0.00 0.50 0.00 0.00 46.19 44.86 1bjg s LEU 44 CO 0.06 0.01 1.53 0.52 -1.32 0.00 0.00 176.35 177.14 1bjg n VAL 45 N 4.62 0.15 0.24 1.68 0.31 -1.26 -4.83 118.33 119.23 1bjg n VAL 45 Ca -0.18 -0.03 0.09 0.00 -0.01 0.00 0.00 64.34 64.22 1bjg n VAL 45 Cb 0.51 -1.05 -0.13 0.00 -0.91 0.00 0.00 33.84 32.27 1bjg n VAL 45 CO 0.00 0.00 0.00 0.35 -1.32 0.00 0.00 176.83 175.86 1bjg n THR 46 N 3.48 0.00 1.04 2.52 -2.24 -1.26 -4.36 114.28 113.47 1bjg n THR 46 Ca 0.22 -0.32 0.06 0.00 -2.27 0.00 0.00 64.05 61.74 1bjg n THR 46 Cb 0.17 0.35 0.38 0.00 -2.10 0.00 0.00 70.33 69.13 1bjg n THR 46 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1bjg n THR 47 N -1.92 0.00 -3.62 4.28 -2.24 -1.26 -0.02 114.28 109.50 1bjg n THR 47 Ca -0.01 0.00 -0.10 0.00 -2.27 0.00 0.00 64.05 61.67 1bjg n THR 47 Cb 0.41 -0.62 -0.06 0.00 -2.10 0.00 0.00 70.33 67.96 1bjg n THR 47 CO 0.00 0.00 0.00 -1.59 -0.57 0.00 0.00 175.07 172.91 1bjg s LYS 48 N -2.00 0.54 0.02 -0.78 -2.85 -1.26 -4.60 119.74 108.81 1bjg s LYS 48 Ca 0.19 0.47 -0.30 0.00 -1.00 0.00 0.00 55.97 55.33 1bjg s LYS 48 Cb 0.09 0.26 -0.07 0.00 -2.06 0.00 0.00 37.83 36.05 1bjg s LYS 48 CO 0.15 -0.10 1.62 0.50 0.10 0.00 0.00 175.35 177.62 1bjg s ARG 49 N -0.15 4.20 0.02 1.78 3.52 -0.45 -4.64 118.95 123.23 1bjg s ARG 49 Ca 0.02 2.24 0.07 0.00 -0.13 0.00 0.00 55.73 57.92 1bjg s ARG 49 Cb -0.04 -3.73 -0.03 0.00 -1.56 0.00 0.00 34.95 29.60 1bjg s ARG 49 CO -0.04 -0.75 -0.19 0.00 -0.81 0.00 0.00 175.30 173.52 1bjg s HIS 51 N -0.85 3.20 0.44 0.00 0.09 -1.26 -4.97 115.29 111.94 1bjg s HIS 51 Ca 0.13 -0.98 0.24 0.00 -0.00 0.00 0.00 55.06 54.46 1bjg s HIS 51 Cb -0.10 -2.32 1.38 0.00 -0.00 0.00 0.00 32.58 31.53 1bjg s HIS 51 CO 0.04 -0.60 2.07 -0.07 -0.00 0.00 0.00 174.74 176.18 1bjg h LEU 52 N 8.30 0.00 -0.67 0.89 3.38 -2.00 -3.33 115.31 121.88 1bjg h LEU 52 Ca -0.29 0.00 0.09 0.00 0.09 0.00 0.00 57.88 57.77 1bjg h LEU 52 Cb 1.12 0.00 -0.11 0.00 0.09 0.00 0.00 40.66 41.76 1bjg h LEU 52 CO 0.62 0.12 -0.48 -0.09 0.09 0.00 0.00 178.44 178.70 1bjg h ARG 53 N 0.00 -0.19 -0.51 1.13 2.43 -2.00 0.36 114.38 115.60 1bjg h ARG 53 Ca -0.00 0.01 -0.10 0.00 -0.81 0.00 0.00 59.98 59.08 1bjg h ARG 53 Cb 0.29 0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 29.86 1bjg h ARG 53 CO 0.02 -0.12 -0.07 0.77 -1.51 0.00 0.00 179.97 179.05 1bjg h SER 54 N -0.19 0.90 -0.20 -3.80 0.02 -1.99 -2.71 113.55 105.58 1bjg h SER 54 Ca 0.17 -0.27 0.03 0.00 -0.84 0.00 0.00 61.79 60.89 1bjg h SER 54 Cb 0.55 -0.24 -0.03 0.00 0.14 0.00 0.00 62.40 62.81 1bjg h SER 54 CO -0.75 1.00 0.00 0.40 -1.14 0.00 0.00 176.83 176.35 1bjg h ILE 55 N 0.83 0.87 0.03 3.27 2.04 -1.46 -1.19 117.51 121.89 1bjg h ILE 55 Ca 0.14 -0.02 -0.00 0.00 1.00 0.00 0.00 64.86 65.98 1bjg h ILE 55 Cb 0.59 0.79 0.00 0.00 -0.74 0.00 0.00 36.82 37.46 1bjg h ILE 55 CO 0.04 0.01 -0.01 0.40 0.00 0.00 0.00 178.15 178.59 1bjg h ILE 56 N 0.07 1.00 -0.72 -0.67 2.04 -0.92 -1.99 117.51 116.32 1bjg h ILE 56 Ca 0.09 -0.08 0.04 0.00 1.00 0.00 0.00 64.86 65.91 1bjg h ILE 56 Cb 0.11 1.05 -0.05 0.00 -0.74 0.00 0.00 36.82 37.20 1bjg h ILE 56 CO -0.15 0.02 0.45 0.45 0.00 0.00 0.00 178.15 178.92 1bjg h HIS 57 N -0.07 0.83 -0.47 1.37 3.86 -1.33 -0.89 115.15 118.45 1bjg h HIS 57 Ca -0.00 0.02 -0.02 0.00 -1.16 0.00 0.00 60.37 59.21 1bjg h HIS 57 Cb 0.06 -0.27 -0.02 0.00 1.06 0.00 0.00 27.41 28.24 1bjg h HIS 57 CO -0.07 0.46 0.22 1.49 0.86 0.00 0.00 177.93 180.89 1bjg h GLU 58 N 0.86 0.69 -0.04 2.45 4.81 -1.08 0.14 114.58 122.40 1bjg h GLU 58 Ca 0.30 -0.11 -0.00 0.00 -0.13 0.00 0.00 59.36 59.42 1bjg h GLU 58 Cb 0.06 -0.12 -0.00 0.00 0.63 0.00 0.00 28.75 29.32 1bjg h GLU 58 CO -0.13 0.59 0.03 1.25 -0.73 0.00 0.00 179.01 180.02 1bjg h LEU 59 N 0.62 0.05 -1.59 1.64 5.85 -0.91 0.21 115.31 121.19 1bjg h LEU 59 Ca 0.16 -0.05 -0.02 0.00 0.84 0.00 0.00 57.88 58.82 1bjg h LEU 59 Cb 0.14 -0.01 -0.01 0.00 0.37 0.00 0.00 40.66 41.15 1bjg h LEU 59 CO -0.02 0.08 0.05 -0.07 -0.34 0.00 0.00 178.44 178.14 1bjg h LEU 60 N 0.02 0.28 -0.33 2.25 3.38 -1.03 -1.13 115.31 118.74 1bjg h LEU 60 Ca 0.02 -0.03 -0.11 0.00 0.09 0.00 0.00 57.88 57.85 1bjg h LEU 60 Cb 0.04 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 40.71 1bjg h LEU 60 CO -0.00 0.30 -0.21 -0.25 0.09 0.00 0.00 178.44 178.36 1bjg h TRP 61 N 0.31 0.86 -0.10 1.13 7.01 -0.39 -2.82 115.95 121.95 1bjg h TRP 61 Ca 0.08 -0.23 0.01 0.00 2.11 0.00 0.00 58.89 60.86 1bjg h TRP 61 Cb 0.13 -0.19 -0.01 0.00 -2.10 0.00 0.00 29.16 26.99 1bjg h TRP 61 CO 0.00 0.96 0.03 0.74 -2.79 0.00 0.00 178.44 177.39 1bjg h PHE 62 N 0.51 0.06 -0.07 2.65 0.04 0.38 -2.67 116.94 117.84 1bjg h PHE 62 Ca 0.07 0.01 0.02 0.00 2.80 0.00 0.00 57.97 60.86 1bjg h PHE 62 Cb 0.76 -0.01 -0.00 0.00 2.20 0.00 0.00 35.95 38.90 1bjg h PHE 62 CO 0.06 0.03 0.13 -0.07 -0.60 0.00 0.00 178.31 177.86 1bjg h LEU 63 N 0.08 0.00 -1.69 1.54 4.07 -1.15 -0.62 115.31 117.55 1bjg h LEU 63 Ca 0.04 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.00 1bjg h LEU 63 Cb 0.02 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.76 1bjg h LEU 63 CO -0.04 0.00 0.00 0.00 -1.08 0.00 0.00 178.44 177.32 1bjg n GLN 64 N -3.48 2.07 -1.48 1.13 10.64 -1.01 -4.90 117.38 120.35 1bjg n GLN 64 Ca -0.01 -1.65 -0.17 0.00 -1.83 0.00 0.00 57.00 53.34 1bjg n GLN 64 Cb 0.22 -1.38 -0.07 0.00 -0.86 0.00 0.00 30.24 28.15 1bjg n GLN 64 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 1bjg n GLY 65 N 1.25 1.61 3.74 2.61 0.00 -0.24 -4.96 105.19 109.20 1bjg n GLY 65 Ca 0.16 -0.08 -0.40 0.00 0.00 0.00 0.00 46.02 45.70 1bjg n GLY 65 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1bjg s ASP 66 N -2.68 7.36 0.00 1.61 2.15 -1.20 -4.07 116.67 119.84 1bjg s ASP 66 Ca 0.00 1.62 0.00 0.00 0.43 0.00 0.00 52.55 54.60 1bjg s ASP 66 Cb 0.00 -2.53 0.00 0.00 -0.30 0.00 0.00 42.92 40.09 1bjg s ASP 66 CO 0.00 0.00 0.65 0.35 -0.17 0.00 0.00 175.17 176.00 1bjg n THR 67 N 2.65 0.33 -4.00 1.71 -2.24 -1.26 -4.52 114.28 106.94 1bjg n THR 67 Ca -0.01 -0.64 -0.36 0.00 -2.27 0.00 0.00 64.05 60.78 1bjg n THR 67 Cb 0.50 0.87 -0.08 0.00 -2.10 0.00 0.00 70.33 69.52 1bjg n THR 67 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 1bjg s ASN 68 N -0.33 5.98 0.00 3.42 2.47 -1.26 -2.05 114.94 123.17 1bjg s ASN 68 Ca 0.00 0.31 0.15 0.00 0.42 0.00 0.00 52.86 53.73 1bjg s ASN 68 Cb 0.00 -1.91 0.87 0.00 -1.45 0.00 0.00 41.25 38.76 1bjg s ASN 68 CO 0.00 0.34 1.39 2.30 -3.72 0.00 0.00 177.10 177.41 1bjg n ILE 69 N 2.41 0.00 -0.15 -5.21 -5.35 0.79 -4.21 119.36 107.65 1bjg n ILE 69 Ca -0.19 0.00 -0.03 0.00 -0.27 0.00 0.00 62.75 62.26 1bjg n ILE 69 Cb 0.54 -0.43 0.03 0.00 -1.74 0.00 0.00 39.64 38.04 1bjg n ILE 69 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1bjg h ALA 70 N 3.11 0.32 -0.51 -1.28 0.00 -1.93 0.13 119.26 119.10 1bjg h ALA 70 Ca 0.00 0.18 0.06 0.00 0.00 0.00 0.00 54.91 55.15 1bjg h ALA 70 Cb 0.00 0.35 -0.05 0.00 0.00 0.00 0.00 17.79 18.08 1bjg h ALA 70 CO 0.00 -0.44 0.22 -0.92 0.00 0.00 0.00 179.25 178.11 1bjg h TYR 71 N 0.01 0.39 -0.94 0.00 3.20 -2.00 0.13 116.97 117.76 1bjg h TYR 71 Ca 0.23 0.02 -0.00 0.00 3.14 0.00 0.00 58.73 62.12 1bjg h TYR 71 Cb 0.35 -0.10 -0.05 0.00 1.54 0.00 0.00 36.73 38.47 1bjg h TYR 71 CO -0.39 0.15 0.58 -0.07 -1.64 0.00 0.00 178.16 176.79 1bjg h LEU 72 N 0.42 1.11 -0.44 2.82 3.38 -1.58 -2.41 115.31 118.61 1bjg h LEU 72 Ca 0.24 -0.06 -0.09 0.00 0.09 0.00 0.00 57.88 58.07 1bjg h LEU 72 Cb 0.22 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.67 1bjg h LEU 72 CO -0.21 0.84 -0.06 0.45 0.09 0.00 0.00 178.44 179.55 1bjg h HIS 73 N 1.28 0.91 0.00 1.13 3.86 0.25 0.23 115.15 122.81 1bjg h HIS 73 Ca 0.34 -0.18 0.00 0.00 -1.16 0.00 0.00 60.37 59.37 1bjg h HIS 73 Cb -0.09 -0.23 0.00 0.00 1.06 0.00 0.00 27.41 28.16 1bjg h HIS 73 CO 0.00 0.90 0.15 0.93 0.86 0.00 0.00 177.93 180.77 1bjg h GLU 74 N 0.66 0.00 -0.11 2.45 5.08 -0.29 0.30 114.58 122.66 1bjg h GLU 74 Ca 0.12 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.48 1bjg h GLU 74 Cb 0.58 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.83 1bjg h GLU 74 CO 0.03 0.00 0.00 0.09 -1.00 0.00 0.00 179.01 178.13 1bjg n ASN 75 N -2.75 2.77 -3.83 1.42 4.13 -0.80 -5.00 115.26 111.20 1bjg n ASN 75 Ca -0.02 -2.74 -0.25 0.00 1.68 0.00 0.00 54.58 53.25 1bjg n ASN 75 Cb 0.20 -0.36 0.02 0.00 -1.54 0.00 0.00 39.78 38.10 1bjg n ASN 75 CO 0.00 0.00 0.00 -3.20 0.28 0.00 0.00 177.26 174.34 1bjg n ASN 76 N -0.78 -1.95 -4.30 6.41 4.05 0.11 -4.98 115.26 113.82 1bjg n ASN 76 Ca 0.14 -0.86 -0.36 0.00 0.45 0.00 0.00 54.58 53.95 1bjg n ASN 76 Cb 0.61 -3.75 -0.13 0.00 1.23 0.00 0.00 39.78 37.74 1bjg n ASN 76 CO 0.00 0.00 0.00 -0.69 -3.05 0.00 0.00 177.26 173.52 1bjg s VAL 77 N -3.63 3.48 -0.41 3.44 1.01 0.72 -4.99 120.40 120.02 1bjg s VAL 77 Ca 0.20 -0.71 0.13 0.00 0.00 0.00 0.00 61.98 61.60 1bjg s VAL 77 Cb -0.10 -2.72 0.38 0.00 0.00 0.00 0.00 36.38 33.94 1bjg s VAL 77 CO 0.84 0.22 1.30 0.35 0.00 0.00 0.00 175.10 177.81 1bjg n THR 78 N 4.79 1.68 0.28 3.92 -2.24 -1.26 -3.99 114.28 117.46 1bjg n THR 78 Ca -0.16 -1.54 0.17 0.00 -2.27 0.00 0.00 64.05 60.25 1bjg n THR 78 Cb 0.49 0.08 0.83 0.00 -2.10 0.00 0.00 70.33 69.63 1bjg n THR 78 CO 0.00 0.00 0.00 0.16 -0.57 0.00 0.00 175.07 174.66 1bjg h ILE 79 N 1.52 0.00 -0.01 2.28 3.07 -1.98 -2.31 117.51 120.09 1bjg h ILE 79 Ca 0.00 -0.12 0.00 0.00 1.55 0.00 0.00 64.86 66.29 1bjg h ILE 79 Cb 1.06 0.93 0.00 0.00 -0.27 0.00 0.00 36.82 38.54 1bjg h ILE 79 CO 0.10 0.00 -0.42 0.79 -1.05 0.00 0.00 178.15 177.58 1bjg n TRP 80 N -2.71 0.00 -0.24 0.16 7.02 -1.26 -4.60 117.44 115.81 1bjg n TRP 80 Ca -0.01 0.00 0.05 0.00 -1.02 0.00 0.00 57.50 56.51 1bjg n TRP 80 Cb 0.12 0.00 0.17 0.00 -2.42 0.00 0.00 31.31 29.19 1bjg n TRP 80 CO 0.00 0.00 0.00 -0.44 -2.02 0.00 0.00 177.69 175.23 1bjg h ASP 81 N 1.19 0.10 -0.89 -0.99 5.19 -1.74 -0.80 116.42 118.48 1bjg h ASP 81 Ca 0.00 0.13 0.23 0.00 -0.62 0.00 0.00 57.03 56.77 1bjg h ASP 81 Cb 0.46 0.15 -0.05 0.00 0.18 0.00 0.00 39.33 40.07 1bjg h ASP 81 CO 0.00 0.02 0.61 -0.08 -3.12 0.00 0.00 179.24 176.67 1bjg h GLU 82 N 0.32 0.18 0.00 3.56 4.81 -1.81 -2.63 114.58 119.01 1bjg h GLU 82 Ca 0.40 -0.01 -0.10 0.00 -0.13 0.00 0.00 59.36 59.52 1bjg h GLU 82 Cb 0.64 -0.04 -0.02 0.00 0.63 0.00 0.00 28.75 29.96 1bjg h GLU 82 CO -0.46 0.12 -2.08 0.91 -0.73 0.00 0.00 179.01 176.78 1bjg n TRP 83 N -4.39 0.00 -1.89 0.92 7.02 -0.37 -5.00 117.44 113.74 1bjg n TRP 83 Ca 0.19 0.00 -0.38 0.00 -1.02 0.00 0.00 57.50 56.29 1bjg n TRP 83 Cb 0.83 -0.62 0.04 0.00 -2.42 0.00 0.00 31.31 29.14 1bjg n TRP 83 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1bjg s ALA 84 N -3.20 2.73 0.81 6.99 0.00 -0.84 -4.84 121.76 123.41 1bjg s ALA 84 Ca -0.08 1.20 -0.05 0.00 0.00 0.00 0.00 51.96 53.03 1bjg s ALA 84 Cb 0.11 -3.52 0.09 0.00 0.00 0.00 0.00 23.12 19.80 1bjg s ALA 84 CO 0.87 -1.26 0.55 -0.40 0.00 0.00 0.00 175.76 175.51 1bjg n ASP 85 N -1.17 0.28 -0.34 0.00 5.75 -0.22 -4.84 116.55 116.01 1bjg n ASP 85 Ca 0.11 -1.35 0.15 0.00 -0.01 0.00 0.00 54.79 53.70 1bjg n ASP 85 Cb 0.47 -0.40 0.35 0.00 -1.03 0.00 0.00 41.12 40.51 1bjg n ASP 85 CO 0.00 0.00 0.00 -0.33 -0.11 0.00 0.00 177.20 176.76 1bjg h GLU 86 N 0.00 0.60 -0.01 0.11 3.07 -1.96 0.83 114.58 117.23 1bjg h GLU 86 Ca -0.18 -0.04 0.00 0.00 -0.50 0.00 0.00 59.36 58.64 1bjg h GLU 86 Cb 0.55 -0.14 0.00 0.00 -0.84 0.00 0.00 28.75 28.33 1bjg h GLU 86 CO 0.15 0.40 -0.02 0.09 -1.40 0.00 0.00 179.01 178.23 1bjg n ASN 87 N -4.87 0.96 0.00 1.42 3.02 -1.26 -4.90 115.26 109.63 1bjg n ASN 87 Ca 0.25 -1.26 0.00 0.00 -0.03 0.00 0.00 54.58 53.54 1bjg n ASN 87 Cb 0.67 -0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.84 1bjg n ASN 87 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1bjg n GLY 88 N 1.13 0.71 3.83 7.41 0.00 0.29 -4.88 105.19 113.68 1bjg n GLY 88 Ca 0.20 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.85 1bjg n GLY 88 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1bjg s ASP 89 N -2.01 6.91 0.00 1.61 1.01 -1.26 -0.15 116.67 122.78 1bjg s ASP 89 Ca 0.00 1.12 0.09 0.00 0.71 0.00 0.00 52.55 54.46 1bjg s ASP 89 Cb 0.00 -2.30 -0.06 0.00 1.01 0.00 0.00 42.92 41.56 1bjg s ASP 89 CO 0.00 0.21 0.44 0.18 0.21 0.00 0.00 175.17 176.20 1bjg n LEU 90 N 1.32 0.64 0.00 1.23 4.77 -0.87 -1.06 117.00 123.04 1bjg n LEU 90 Ca -0.09 -0.59 0.00 0.00 -0.03 0.00 0.00 56.01 55.31 1bjg n LEU 90 Cb 0.51 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.60 1bjg n LEU 90 CO 0.41 0.14 0.00 0.61 -1.33 0.00 0.00 177.39 177.22 1bjg n GLY 91 N 1.09 0.06 2.71 -0.72 0.00 -1.26 -0.19 105.19 106.87 1bjg n GLY 91 Ca 0.02 -1.98 -0.27 0.00 0.00 0.00 0.00 46.02 43.79 1bjg n GLY 91 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1bjg n PRO 92 N -0.17 2.01 -0.12 1.61 -0.04 -1.26 -4.85 135.00 132.18 1bjg n PRO 92 Ca 0.00 -1.58 0.00 0.00 -0.04 0.00 0.00 63.50 61.88 1bjg n PRO 92 Cb 0.00 -2.57 0.00 0.00 -0.04 0.00 0.00 33.50 30.89 1bjg n PRO 92 CO 0.00 0.00 0.00 1.33 -0.04 0.00 0.00 175.50 176.79 1bjg n VAL 93 N 4.59 0.00 0.00 0.52 0.24 -1.26 -4.48 118.33 117.94 1bjg n VAL 93 Ca 0.46 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.76 1bjg n VAL 93 Cb 0.19 -1.88 0.00 0.00 -1.47 0.00 0.00 33.84 30.69 1bjg n VAL 93 CO 0.00 0.00 0.00 -1.22 -2.14 0.00 0.00 176.83 173.47 1bjg n TYR 94 N -1.84 0.00 -0.33 6.34 4.01 -1.26 -0.93 117.16 123.15 1bjg n TYR 94 Ca 0.00 0.00 0.23 0.00 -0.16 0.00 0.00 57.90 57.97 1bjg n TYR 94 Cb 0.00 0.00 0.46 0.00 -0.31 0.00 0.00 39.34 39.49 1bjg n TYR 94 CO 0.00 0.00 0.00 0.78 -0.46 0.00 0.00 176.86 177.18 1bjg h GLY 95 N 0.00 2.01 0.86 2.72 0.00 -1.79 0.14 103.07 107.01 1bjg h GLY 95 Ca 0.00 -0.22 -0.08 0.00 0.00 0.00 0.00 47.33 47.02 1bjg h GLY 95 CO 0.00 -0.48 -0.17 1.70 0.00 0.00 0.00 176.54 177.59 1bjg h LYS 96 N 0.32 0.53 -0.37 4.80 3.11 -1.18 -1.93 116.57 121.85 1bjg h LYS 96 Ca 0.72 -0.26 -0.14 0.00 -2.81 0.00 0.00 60.65 58.16 1bjg h LYS 96 Cb 1.62 -0.00 -0.01 0.00 -1.00 0.00 0.00 32.23 32.84 1bjg h LYS 96 CO -0.61 0.83 -0.34 1.96 -2.81 0.00 0.00 179.45 178.48 1bjg h GLN 97 N 0.24 0.84 -0.21 1.90 1.08 -0.79 0.38 115.11 118.54 1bjg h GLN 97 Ca 0.05 -0.41 -0.02 0.00 -1.45 0.00 0.00 58.65 56.82 1bjg h GLN 97 Cb 0.70 -0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 28.12 1bjg h GLN 97 CO 0.05 1.05 0.06 -1.49 -0.95 0.00 0.00 178.83 177.55 1bjg h TRP 98 N 0.70 0.35 0.00 2.96 4.06 -0.81 -3.21 115.95 120.00 1bjg h TRP 98 Ca 0.07 -0.04 0.00 0.00 2.06 0.00 0.00 58.89 60.98 1bjg h TRP 98 Cb 0.90 -0.10 0.00 0.00 -1.00 0.00 0.00 29.16 28.96 1bjg h TRP 98 CO 0.05 0.43 -1.40 0.54 -3.56 0.00 0.00 178.44 174.50 1bjg n ARG 99 N -4.77 0.41 -2.82 0.49 5.12 -0.73 -0.87 116.66 113.49 1bjg n ARG 99 Ca -0.04 -0.07 -0.11 0.00 -1.93 0.00 0.00 57.85 55.71 1bjg n ARG 99 Cb 0.16 -1.57 0.07 0.00 -1.16 0.00 0.00 32.46 29.96 1bjg n ARG 99 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1bjg n ALA 100 N -1.97 -0.08 -1.78 7.54 0.00 0.13 -3.90 120.51 120.45 1bjg n ALA 100 Ca -0.00 -1.85 -0.42 0.00 0.00 0.00 0.00 53.44 51.17 1bjg n ALA 100 Cb 0.48 -1.10 -0.03 0.00 0.00 0.00 0.00 19.45 18.80 1bjg n ALA 100 CO 0.00 0.00 0.00 -0.46 0.00 0.00 0.00 177.50 177.04 1bjg s TRP 101 N -0.30 1.49 0.12 0.00 -0.11 -0.18 -4.54 118.94 115.42 1bjg s TRP 101 Ca 0.26 -0.09 -0.30 0.00 1.22 0.00 0.00 56.10 57.18 1bjg s TRP 101 Cb 0.31 -4.11 -0.06 0.00 -1.50 0.00 0.00 33.47 28.11 1bjg s TRP 101 CO -0.06 -4.75 1.00 -1.25 -4.62 0.00 0.00 176.95 167.27 1bjg s PRO 102 N 4.64 4.66 0.35 5.86 0.04 -1.26 0.24 135.00 149.53 1bjg s PRO 102 Ca 0.85 1.52 0.04 0.00 0.04 0.00 0.00 61.00 63.45 1bjg s PRO 102 Cb -0.38 -3.36 -0.01 0.00 0.04 0.00 0.00 34.50 30.79 1bjg s PRO 102 CO 0.37 0.15 0.52 0.95 0.04 0.00 0.00 177.00 179.03 1bjg s THR 103 N 0.06 4.41 0.40 1.26 -4.23 0.54 -4.97 115.64 113.13 1bjg s THR 103 Ca 0.48 -0.77 0.24 0.00 -1.18 0.00 0.00 61.69 60.46 1bjg s THR 103 Cb -0.25 -3.58 0.26 0.00 1.34 0.00 0.00 72.50 70.27 1bjg s THR 103 CO 0.31 -0.30 2.03 -0.65 -0.54 0.00 0.00 174.62 175.47 1bjg h PRO 104 N 0.78 0.00 -0.65 3.99 0.11 -1.97 -2.69 132.00 131.56 1bjg h PRO 104 Ca -0.48 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 1bjg h PRO 104 Cb 1.25 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.36 1bjg h PRO 104 CO 0.57 0.16 0.00 -0.40 -0.21 0.00 0.00 178.00 178.11 1bjg n ASP 105 N -3.78 3.52 0.00 -2.05 5.75 -1.26 -4.92 116.55 113.81 1bjg n ASP 105 Ca -0.02 -2.40 0.00 0.00 -0.01 0.00 0.00 54.79 52.36 1bjg n ASP 105 Cb 0.26 -0.52 0.00 0.00 -1.03 0.00 0.00 41.12 39.83 1bjg n ASP 105 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1bjg n GLY 106 N 0.66 0.74 3.95 6.12 0.00 -1.01 -5.07 105.19 110.58 1bjg n GLY 106 Ca 0.17 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.96 1bjg n GLY 106 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1bjg s ARG 107 N -0.47 3.25 -0.23 1.61 0.52 -1.26 -4.87 118.95 117.50 1bjg s ARG 107 Ca 0.00 -0.46 0.00 0.00 -0.52 0.00 0.00 55.73 54.75 1bjg s ARG 107 Cb 0.00 -2.62 0.06 0.00 0.52 0.00 0.00 34.95 32.91 1bjg s ARG 107 CO 0.00 -0.07 -0.04 -1.01 0.02 0.00 0.00 175.30 174.21 1bjg s HIS 108 N -2.42 2.15 0.00 -0.53 3.76 -1.26 -0.34 115.29 116.65 1bjg s HIS 108 Ca 0.44 -1.59 -0.25 0.00 -0.15 0.00 0.00 55.06 53.51 1bjg s HIS 108 Cb -0.10 -1.48 -0.05 0.00 1.11 0.00 0.00 32.58 32.07 1bjg s HIS 108 CO 0.37 -0.74 0.78 0.42 -0.85 0.00 0.00 174.74 174.72 1bjg s ILE 109 N 1.48 4.85 -0.74 0.60 -1.09 0.14 -4.73 121.20 121.70 1bjg s ILE 109 Ca -0.05 1.65 -0.16 0.00 -2.23 0.00 0.00 60.65 59.86 1bjg s ILE 109 Cb -0.18 -4.13 0.16 0.00 -1.58 0.00 0.00 42.46 36.73 1bjg s ILE 109 CO -0.06 0.30 0.75 -0.62 -1.23 0.00 0.00 174.94 174.08 1bjg s ASP 110 N 0.38 6.51 0.34 3.58 -1.08 -1.25 -1.01 116.67 124.14 1bjg s ASP 110 Ca 0.40 -2.16 0.09 0.00 -0.52 0.00 0.00 52.55 50.37 1bjg s ASP 110 Cb -0.20 -2.26 0.63 0.00 -1.46 0.00 0.00 42.92 39.63 1bjg s ASP 110 CO 0.22 -0.81 1.80 1.56 0.52 0.00 0.00 175.17 178.46 1bjg h GLN 111 N 8.45 0.19 -0.24 4.34 4.20 -1.26 -1.75 115.11 129.03 1bjg h GLN 111 Ca -0.05 -0.07 -0.04 0.00 0.06 0.00 0.00 58.65 58.55 1bjg h GLN 111 Cb 1.06 -0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.82 1bjg h GLN 111 CO 0.93 0.48 -0.00 0.82 -0.67 0.00 0.00 178.83 180.39 1bjg h ILE 112 N 0.17 1.26 -0.44 2.54 1.08 -1.84 -1.59 117.51 118.68 1bjg h ILE 112 Ca 0.02 -0.90 -0.12 0.00 -0.39 0.00 0.00 64.86 63.47 1bjg h ILE 112 Cb 0.62 1.38 -0.01 0.00 -3.07 0.00 0.00 36.82 35.74 1bjg h ILE 112 CO 0.05 0.28 -0.21 0.74 -0.69 0.00 0.00 178.15 178.32 1bjg h THR 113 N 0.20 1.27 -0.53 -0.27 2.02 -1.86 -1.80 112.91 111.94 1bjg h THR 113 Ca 0.07 -1.35 0.05 0.00 0.77 0.00 0.00 66.41 65.95 1bjg h THR 113 Cb 0.41 1.15 -0.05 0.00 -1.74 0.00 0.00 68.15 67.93 1bjg h THR 113 CO 0.01 0.46 0.26 0.74 0.37 0.00 0.00 175.52 177.36 1bjg h THR 114 N 0.77 0.94 -0.65 3.16 2.02 -1.23 -0.86 112.91 117.05 1bjg h THR 114 Ca 0.10 -0.17 -0.03 0.00 0.77 0.00 0.00 66.41 67.08 1bjg h THR 114 Cb 0.76 0.39 -0.03 0.00 -1.74 0.00 0.00 68.15 67.53 1bjg h THR 114 CO 0.06 0.09 0.28 0.58 0.37 0.00 0.00 175.52 176.90 1bjg h VAL 115 N 0.50 1.23 -0.62 3.16 2.07 -0.93 -1.52 116.25 120.16 1bjg h VAL 115 Ca 0.24 -0.71 0.00 0.00 0.82 0.00 0.00 66.70 67.05 1bjg h VAL 115 Cb 0.16 0.48 -0.03 0.00 -1.52 0.00 0.00 31.29 30.38 1bjg h VAL 115 CO -0.17 0.28 0.40 -0.07 0.02 0.00 0.00 177.57 178.03 1bjg h LEU 116 N 0.91 0.71 0.10 2.57 -0.00 -0.79 -1.10 115.31 117.72 1bjg h LEU 116 Ca 0.22 -0.02 0.00 0.00 -0.00 0.00 0.00 57.88 58.08 1bjg h LEU 116 Cb 0.18 -0.18 -0.01 0.00 -0.00 0.00 0.00 40.66 40.65 1bjg h LEU 116 CO -0.02 0.52 -0.09 0.78 -0.00 0.00 0.00 178.44 179.63 1bjg h ASN 117 N 0.84 -0.24 -0.31 -0.43 -0.26 -0.79 -2.42 115.58 111.96 1bjg h ASN 117 Ca 0.23 0.02 0.03 0.00 -0.56 0.00 0.00 56.30 56.02 1bjg h ASN 117 Cb -0.09 0.08 -0.03 0.00 -1.06 0.00 0.00 38.32 37.23 1bjg h ASN 117 CO -0.05 -0.15 0.14 1.56 -1.06 0.00 0.00 177.43 177.87 1bjg h GLN 118 N -0.21 0.28 0.00 0.81 4.20 -1.03 0.13 115.11 119.29 1bjg h GLN 118 Ca 0.00 -0.02 -0.00 0.00 0.06 0.00 0.00 58.65 58.69 1bjg h GLN 118 Cb 0.20 -0.06 -0.00 0.00 0.30 0.00 0.00 27.48 27.92 1bjg h GLN 118 CO -0.02 0.19 -0.01 -0.07 -0.67 0.00 0.00 178.83 178.24 1bjg h LEU 119 N 0.29 0.00 0.03 1.46 3.38 -1.07 0.65 115.31 120.05 1bjg h LEU 119 Ca 0.13 0.00 -0.33 0.00 0.09 0.00 0.00 57.88 57.77 1bjg h LEU 119 Cb 0.07 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 40.77 1bjg h LEU 119 CO -0.11 0.01 -1.96 0.29 0.09 0.00 0.00 178.44 176.77 1bjg n LYS 120 N -4.21 0.68 -0.01 1.13 5.02 -0.83 -4.10 118.16 115.83 1bjg n LYS 120 Ca -0.03 0.23 0.07 0.00 -2.02 0.00 0.00 58.31 56.56 1bjg n LYS 120 Cb 0.10 -1.70 -0.10 0.00 -0.02 0.00 0.00 35.03 33.30 1bjg n LYS 120 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1bjg n ASN 121 N -3.13 1.55 -2.96 4.39 3.02 0.41 -4.76 115.26 113.79 1bjg n ASN 121 Ca -0.26 -0.17 -0.14 0.00 -0.03 0.00 0.00 54.58 53.98 1bjg n ASN 121 Cb 1.06 1.51 0.02 0.00 -0.61 0.00 0.00 39.78 41.76 1bjg n ASN 121 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 1bjg n ASP 122 N -1.85 -1.00 0.33 6.41 2.03 0.22 -4.99 116.55 117.71 1bjg n ASP 122 Ca -0.02 -3.26 0.22 0.00 0.52 0.00 0.00 54.79 52.26 1bjg n ASP 122 Cb 0.33 0.68 1.16 0.00 -0.72 0.00 0.00 41.12 42.58 1bjg n ASP 122 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 1bjg h PRO 123 N 3.31 0.00 -0.00 -0.67 0.13 -1.61 -1.46 132.00 131.71 1bjg h PRO 123 Ca -0.02 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.11 1bjg h PRO 123 Cb 1.01 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.14 1bjg h PRO 123 CO 0.34 0.00 -0.04 -0.25 -0.23 0.00 0.00 178.00 177.82 1bjg n ASP 124 N -3.13 0.15 -4.70 1.44 8.00 -1.26 -3.82 116.55 113.23 1bjg n ASP 124 Ca -0.03 -0.33 -0.38 0.00 0.71 0.00 0.00 54.79 54.76 1bjg n ASP 124 Cb 0.09 -0.20 0.05 0.00 -0.02 0.00 0.00 41.12 41.05 1bjg n ASP 124 CO 0.00 0.00 0.00 -0.24 -0.39 0.00 0.00 177.20 176.57 1bjg n SER 125 N -1.17 1.93 -0.81 -2.24 2.88 -0.55 -4.92 113.62 108.74 1bjg n SER 125 Ca 0.15 0.88 0.07 0.00 -1.33 0.00 0.00 58.87 58.64 1bjg n SER 125 Cb 0.25 -1.52 0.21 0.00 -0.75 0.00 0.00 64.21 62.40 1bjg n SER 125 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1bjg n ARG 126 N -1.33 2.96 -0.18 -1.46 1.74 -1.26 -4.45 116.66 112.68 1bjg n ARG 126 Ca 0.13 -2.37 0.08 0.00 -0.77 0.00 0.00 57.85 54.92 1bjg n ARG 126 Cb 0.46 -1.50 0.16 0.00 -1.02 0.00 0.00 32.46 30.56 1bjg n ARG 126 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 1bjg n ARG 127 N 0.29 2.05 -2.55 5.56 1.74 -1.26 -4.91 116.66 117.58 1bjg n ARG 127 Ca 0.16 -2.50 -0.42 0.00 -0.77 0.00 0.00 57.85 54.32 1bjg n ARG 127 Cb 0.61 -1.53 -0.00 0.00 -1.02 0.00 0.00 32.46 30.51 1bjg n ARG 127 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 1bjg s ILE 128 N -2.54 4.08 0.06 0.55 1.01 -1.26 -4.91 121.20 118.19 1bjg s ILE 128 Ca 0.31 -1.83 0.08 0.00 0.00 0.00 0.00 60.65 59.21 1bjg s ILE 128 Cb 0.26 -5.16 -0.03 0.00 0.01 0.00 0.00 42.46 37.54 1bjg s ILE 128 CO 0.05 -1.97 -0.21 -0.63 0.00 0.00 0.00 174.94 172.18 1bjg s ILE 129 N 4.64 1.70 -0.13 2.92 1.01 -1.26 -0.79 121.20 129.29 1bjg s ILE 129 Ca 0.55 -1.32 0.00 0.00 0.00 0.00 0.00 60.65 59.88 1bjg s ILE 129 Cb 0.04 -1.50 0.02 0.00 0.01 0.00 0.00 42.46 41.02 1bjg s ILE 129 CO 0.08 0.12 -0.13 -0.69 0.00 0.00 0.00 174.94 174.32 1bjg s VAL 130 N -0.92 1.42 -0.06 2.92 1.01 -0.26 -4.92 120.40 119.59 1bjg s VAL 130 Ca 0.07 -0.55 0.06 0.00 0.00 0.00 0.00 61.98 61.56 1bjg s VAL 130 Cb -0.09 -1.34 -0.01 0.00 0.00 0.00 0.00 36.38 34.93 1bjg s VAL 130 CO 0.03 0.43 -0.24 -0.55 0.00 0.00 0.00 175.10 174.77 1bjg s SER 131 N 1.42 3.20 0.00 3.32 0.15 -1.26 -1.28 113.70 119.26 1bjg s SER 131 Ca 0.02 -0.47 0.15 0.00 0.70 0.00 0.00 55.95 56.35 1bjg s SER 131 Cb -0.13 -0.82 0.11 0.00 -1.71 0.00 0.00 66.02 63.47 1bjg s SER 131 CO -0.08 0.26 0.96 0.00 1.20 0.00 0.00 173.24 175.58 1bjg n ALA 132 N 2.86 2.49 -2.54 5.45 0.00 -0.09 -4.68 120.51 123.99 1bjg n ALA 132 Ca -0.17 -0.61 -0.43 0.00 0.00 0.00 0.00 53.44 52.22 1bjg n ALA 132 Cb 0.52 -0.49 0.00 0.00 0.00 0.00 0.00 19.45 19.48 1bjg n ALA 132 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 177.50 179.37 1bjg n TRP 133 N 0.80 4.12 -2.92 0.00 -0.00 -1.21 -4.82 117.44 113.42 1bjg n TRP 133 Ca 0.08 -3.04 -0.44 0.00 -0.00 0.00 0.00 57.50 54.11 1bjg n TRP 133 Cb 0.36 -2.25 -0.04 0.00 -0.00 0.00 0.00 31.31 29.39 1bjg n TRP 133 CO 0.00 0.00 0.00 1.21 -0.00 0.00 0.00 177.69 178.90 1bjg s ASN 134 N 2.53 6.30 0.35 5.87 3.84 -1.26 -4.91 114.94 127.66 1bjg s ASN 134 Ca 0.44 -1.36 0.12 0.00 0.21 0.00 0.00 52.86 52.27 1bjg s ASN 134 Cb 0.04 -2.40 0.92 0.00 -0.55 0.00 0.00 41.25 39.26 1bjg s ASN 134 CO 0.01 -1.29 1.77 0.58 -2.79 0.00 0.00 177.10 175.38 1bjg h VAL 135 N 5.93 0.61 0.00 -5.21 2.07 -2.02 -1.11 116.25 116.52 1bjg h VAL 135 Ca -0.16 -0.20 0.00 0.00 0.82 0.00 0.00 66.70 67.16 1bjg h VAL 135 Cb 1.06 -0.01 0.00 0.00 -1.52 0.00 0.00 31.29 30.82 1bjg h VAL 135 CO 1.15 0.11 0.00 0.61 0.02 0.00 0.00 177.57 179.45 1bjg n GLY 136 N -1.39 -1.41 0.35 2.17 0.00 -1.26 -3.26 105.19 100.39 1bjg n GLY 136 Ca 0.24 0.06 0.04 0.00 0.00 0.00 0.00 46.02 46.36 1bjg n GLY 136 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1bjg n GLU 137 N -2.28 0.84 -0.26 1.61 1.02 -0.44 -4.71 120.64 116.41 1bjg n GLU 137 Ca 0.03 -1.21 0.01 0.00 -0.02 0.00 0.00 57.16 55.97 1bjg n GLU 137 Cb 0.29 -1.16 0.14 0.00 -0.02 0.00 0.00 31.44 30.69 1bjg n GLU 137 CO 0.00 0.00 0.00 -0.07 1.18 0.00 0.00 177.13 178.24 1bjg h LEU 138 N 1.52 0.53 -2.72 -4.62 3.38 -1.48 -1.60 115.31 110.32 1bjg h LEU 138 Ca 0.00 0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.03 1bjg h LEU 138 Cb 0.42 -0.04 -0.00 0.00 0.09 0.00 0.00 40.66 41.13 1bjg h LEU 138 CO 0.00 0.31 0.03 0.44 0.09 0.00 0.00 178.44 179.30 1bjg h ASP 139 N 0.66 0.00 0.16 -0.43 3.32 -1.84 -2.29 116.42 116.00 1bjg h ASP 139 Ca 0.36 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.41 1bjg h ASP 139 Cb 0.35 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.90 1bjg h ASP 139 CO -0.25 0.00 -0.78 0.29 -1.72 0.00 0.00 179.24 176.77 1bjg n LYS 140 N -3.38 0.12 -2.80 3.56 4.01 -0.61 -4.96 118.16 114.11 1bjg n LYS 140 Ca -0.03 -0.09 -0.36 0.00 -0.51 0.00 0.00 58.31 57.32 1bjg n LYS 140 Cb 0.10 -1.50 -0.07 0.00 -0.51 0.00 0.00 35.03 33.06 1bjg n LYS 140 CO 0.00 0.00 0.00 -1.64 -1.11 0.00 0.00 177.40 174.65 1bjg s MET 141 N -2.94 4.51 0.47 1.97 -1.94 -0.86 -4.30 119.30 116.20 1bjg s MET 141 Ca 0.10 1.28 0.15 0.00 -1.71 0.00 0.00 55.69 55.51 1bjg s MET 141 Cb 0.17 -2.69 1.12 0.00 2.01 0.00 0.00 34.83 35.44 1bjg s MET 141 CO 0.78 0.23 2.04 0.00 -0.01 0.00 0.00 175.02 178.06 1bjg h ALA 142 N 2.95 2.04 -1.87 3.03 0.00 -0.90 -3.43 119.26 121.09 1bjg h ALA 142 Ca -0.47 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.41 1bjg h ALA 142 Cb 1.19 -0.06 -0.21 0.00 0.00 0.00 0.00 17.79 18.71 1bjg h ALA 142 CO 0.64 -0.13 0.27 -0.48 0.00 0.00 0.00 179.25 179.56 1bjg s LEU 143 N -9.19 -0.60 0.29 0.00 2.34 -1.26 -5.09 118.68 105.16 1bjg s LEU 143 Ca -0.07 0.87 -0.29 0.00 0.06 0.00 0.00 54.13 54.70 1bjg s LEU 143 Cb 0.19 2.31 -0.10 0.00 -0.56 0.00 0.00 46.19 48.02 1bjg s LEU 143 CO 0.72 -0.41 1.41 0.00 -1.06 0.00 0.00 176.35 177.02 1bjg s ALA 144 N -0.58 3.59 0.28 1.48 0.00 -1.26 -4.92 121.76 120.35 1bjg s ALA 144 Ca -0.05 1.34 -0.30 0.00 0.00 0.00 0.00 51.96 52.95 1bjg s ALA 144 Cb -0.02 -3.54 -0.12 0.00 0.00 0.00 0.00 23.12 19.44 1bjg s ALA 144 CO 0.04 -0.75 1.58 -0.35 0.00 0.00 0.00 175.76 176.28 1bjg n PRO 145 N 1.68 2.61 -0.05 0.00 -0.04 -1.26 -4.95 135.00 132.99 1bjg n PRO 145 Ca 0.04 0.93 -0.02 0.00 -0.04 0.00 0.00 63.50 64.41 1bjg n PRO 145 Cb 0.41 -2.70 -0.01 0.00 -0.04 0.00 0.00 33.50 31.16 1bjg n PRO 145 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1bjg s HIS 147 N -1.70 2.86 -1.08 0.00 0.00 -1.26 -1.33 115.29 112.77 1bjg s HIS 147 Ca -0.04 -1.18 0.23 0.00 -3.00 0.00 0.00 55.06 51.07 1bjg s HIS 147 Cb 0.00 -4.49 0.20 0.00 -4.00 0.00 0.00 32.58 24.29 1bjg s HIS 147 CO 0.08 -1.70 1.20 0.00 -1.00 0.00 0.00 174.74 173.31 1bjg n ALA 148 N 7.64 4.02 -3.63 -1.38 0.00 -1.11 -4.83 120.51 121.21 1bjg n ALA 148 Ca 0.30 -0.47 -0.09 0.00 0.00 0.00 0.00 53.44 53.18 1bjg n ALA 148 Cb 0.50 -0.96 -0.07 0.00 0.00 0.00 0.00 19.45 18.91 1bjg n ALA 148 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.50 177.62 1bjg s PHE 149 N -2.95 -0.97 -0.01 0.00 2.19 -1.23 -0.92 117.98 114.10 1bjg s PHE 149 Ca 0.11 2.04 -0.04 0.00 0.33 0.00 0.00 56.93 59.37 1bjg s PHE 149 Cb 0.17 0.52 -0.00 0.00 -1.31 0.00 0.00 43.02 42.39 1bjg s PHE 149 CO 0.75 -0.48 0.09 -0.59 1.83 0.00 0.00 175.22 176.82 1bjg s PHE 150 N 1.25 0.04 -0.01 10.12 -0.71 -0.40 -0.63 117.98 127.63 1bjg s PHE 150 Ca -0.07 -0.08 0.04 0.00 -1.04 0.00 0.00 56.93 55.79 1bjg s PHE 150 Cb -0.05 -0.05 -0.01 0.00 -1.21 0.00 0.00 43.02 41.70 1bjg s PHE 150 CO -0.13 -0.18 -0.14 -1.14 -1.34 0.00 0.00 175.22 172.28 1bjg s GLN 151 N -0.88 1.16 0.17 1.99 0.74 0.17 -1.10 119.66 121.92 1bjg s GLN 151 Ca -0.10 -0.52 0.04 0.00 0.05 0.00 0.00 55.36 54.83 1bjg s GLN 151 Cb -0.06 -1.13 -0.04 0.00 1.10 0.00 0.00 33.01 32.89 1bjg s GLN 151 CO 0.00 0.31 0.25 -0.06 -0.55 0.00 0.00 175.29 175.24 1bjg s PHE 152 N -0.36 3.37 -0.11 1.67 0.08 0.03 -0.34 117.98 122.32 1bjg s PHE 152 Ca 0.05 0.05 -0.09 0.00 0.12 0.00 0.00 56.93 57.06 1bjg s PHE 152 Cb -0.06 -1.59 0.03 0.00 -0.57 0.00 0.00 43.02 40.84 1bjg s PHE 152 CO -0.00 0.51 0.28 -0.47 -0.10 0.00 0.00 175.22 175.43 1bjg s TYR 153 N -1.81 -0.34 -0.08 0.36 5.04 -0.66 -4.53 117.35 115.33 1bjg s TYR 153 Ca 0.33 0.80 0.05 0.00 -2.44 0.00 0.00 57.07 55.81 1bjg s TYR 153 Cb -0.10 0.10 -0.01 0.00 0.35 0.00 0.00 41.96 42.30 1bjg s TYR 153 CO 0.27 -0.18 -0.23 0.08 -1.34 0.00 0.00 175.55 174.14 1bjg s VAL 154 N 0.52 2.18 -0.29 3.14 1.01 -1.25 -0.67 120.40 125.05 1bjg s VAL 154 Ca -0.03 -1.00 -0.14 0.00 0.00 0.00 0.00 61.98 60.80 1bjg s VAL 154 Cb -0.05 -1.82 0.10 0.00 0.00 0.00 0.00 36.38 34.62 1bjg s VAL 154 CO -0.03 0.56 0.69 0.00 0.00 0.00 0.00 175.10 176.33 1bjg s ALA 155 N 0.03 -1.95 -1.39 5.51 0.00 -0.85 -4.78 121.76 118.32 1bjg s ALA 155 Ca -0.09 2.39 -0.08 0.00 0.00 0.00 0.00 51.96 54.18 1bjg s ALA 155 Cb -0.15 -1.55 0.03 0.00 0.00 0.00 0.00 23.12 21.45 1bjg s ALA 155 CO 0.06 -0.54 1.03 -0.25 0.00 0.00 0.00 175.76 176.05 1bjg n ASP 156 N 4.62 -4.54 -0.36 0.00 8.00 -1.26 -1.62 116.55 121.39 1bjg n ASP 156 Ca -0.18 -0.67 -0.05 0.00 0.71 0.00 0.00 54.79 54.60 1bjg n ASP 156 Cb 0.56 -4.51 -0.02 0.00 -0.02 0.00 0.00 41.12 37.13 1bjg n ASP 156 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1bjg n GLY 157 N -1.73 0.64 3.28 0.44 0.00 -1.26 -4.99 105.19 101.57 1bjg n GLY 157 Ca -0.06 -0.17 -0.33 0.00 0.00 0.00 0.00 46.02 45.46 1bjg n GLY 157 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1bjg s LYS 158 N -1.90 3.19 -0.18 1.61 1.02 -0.64 -0.52 119.74 122.32 1bjg s LYS 158 Ca 0.00 -0.79 -0.19 0.00 0.02 0.00 0.00 55.97 55.01 1bjg s LYS 158 Cb 0.00 -2.48 -0.03 0.00 -0.52 0.00 0.00 37.83 34.80 1bjg s LYS 158 CO 0.00 0.15 0.52 -1.17 -0.92 0.00 0.00 175.35 173.93 1bjg s LEU 159 N 0.46 4.18 0.34 3.17 2.96 0.31 -2.01 118.68 128.09 1bjg s LEU 159 Ca -0.13 0.72 0.10 0.00 -0.22 0.00 0.00 54.13 54.60 1bjg s LEU 159 Cb -0.17 -2.72 -0.06 0.00 0.50 0.00 0.00 46.19 43.74 1bjg s LEU 159 CO 0.06 -0.15 -0.08 -0.44 -1.32 0.00 0.00 176.35 174.42 1bjg s SER 160 N 1.03 3.81 -0.15 3.68 0.01 0.15 0.81 113.70 123.05 1bjg s SER 160 Ca 0.25 -1.14 -0.11 0.00 1.31 0.00 0.00 55.95 56.26 1bjg s SER 160 Cb -0.15 -0.38 0.05 0.00 0.21 0.00 0.00 66.02 65.74 1bjg s SER 160 CO 0.10 -0.19 0.39 0.00 0.41 0.00 0.00 173.24 173.95 1bjg s GLN 162 N 0.80 3.31 -0.08 0.00 0.74 0.54 -0.62 119.66 124.35 1bjg s GLN 162 Ca -0.05 -0.73 0.01 0.00 0.05 0.00 0.00 55.36 54.64 1bjg s GLN 162 Cb -0.06 -2.56 -0.03 0.00 1.10 0.00 0.00 33.01 31.47 1bjg s GLN 162 CO -0.06 0.20 -0.09 -1.17 -0.55 0.00 0.00 175.29 173.62 1bjg s LEU 163 N 0.36 3.02 -0.23 3.68 2.96 -0.37 -0.65 118.68 127.44 1bjg s LEU 163 Ca -0.13 -0.11 -0.05 0.00 -0.22 0.00 0.00 54.13 53.62 1bjg s LEU 163 Cb -0.16 -1.66 -0.01 0.00 0.50 0.00 0.00 46.19 44.86 1bjg s LEU 163 CO 0.06 0.32 -0.01 -0.47 -1.32 0.00 0.00 176.35 174.93 1bjg s TYR 164 N -0.54 3.00 -0.28 5.38 6.14 0.20 -0.57 117.35 130.68 1bjg s TYR 164 Ca 0.08 -0.82 -0.02 0.00 0.64 0.00 0.00 57.07 56.95 1bjg s TYR 164 Cb -0.12 -2.15 0.04 0.00 0.42 0.00 0.00 41.96 40.15 1bjg s TYR 164 CO 0.02 -0.50 -0.02 -1.14 0.64 0.00 0.00 175.55 174.55 1bjg s GLN 165 N 1.51 2.62 0.26 4.97 0.74 0.11 -2.76 119.66 127.11 1bjg s GLN 165 Ca 0.06 -1.14 -0.04 0.00 0.05 0.00 0.00 55.36 54.30 1bjg s GLN 165 Cb -0.15 -3.12 0.32 0.00 1.10 0.00 0.00 33.01 31.17 1bjg s GLN 165 CO -0.01 -0.53 1.83 0.07 -0.55 0.00 0.00 175.29 176.10 1bjg h ARG 166 N 8.02 0.99 -4.42 1.67 0.11 -1.50 0.43 114.38 119.68 1bjg h ARG 166 Ca -0.26 -0.17 -0.38 0.00 0.10 0.00 0.00 59.98 59.26 1bjg h ARG 166 Cb 1.08 -0.16 -0.30 0.00 1.11 0.00 0.00 29.97 31.70 1bjg h ARG 166 CO 0.55 0.82 -0.77 0.45 0.10 0.00 0.00 179.97 181.12 1bjg s SER 167 N -6.47 0.92 -0.15 0.08 0.15 -1.26 -0.89 113.70 106.08 1bjg s SER 167 Ca -0.11 -0.14 -0.04 0.00 0.70 0.00 0.00 55.95 56.36 1bjg s SER 167 Cb 0.16 -0.21 0.07 0.00 -1.71 0.00 0.00 66.02 64.33 1bjg s SER 167 CO 0.81 0.05 0.19 0.00 1.20 0.00 0.00 173.24 175.49 1bjg s ASN 169 N 2.30 6.17 0.19 0.00 3.84 -1.26 -0.95 114.94 125.23 1bjg s ASN 169 Ca 0.05 -0.74 -0.14 0.00 0.21 0.00 0.00 52.86 52.23 1bjg s ASN 169 Cb -0.14 -2.49 0.17 0.00 -0.55 0.00 0.00 41.25 38.25 1bjg s ASN 169 CO -0.09 -1.63 1.67 0.58 -2.79 0.00 0.00 177.10 174.84 1bjg h VAL 170 N 6.01 0.58 -0.09 -5.21 2.07 -1.28 -0.04 116.25 118.28 1bjg h VAL 170 Ca -0.27 -0.03 -0.08 0.00 0.82 0.00 0.00 66.70 67.14 1bjg h VAL 170 Cb 1.06 0.50 0.00 0.00 -1.52 0.00 0.00 31.29 31.33 1bjg h VAL 170 CO 1.23 0.01 -0.26 0.15 0.02 0.00 0.00 177.57 178.72 1bjg h PHE 171 N 0.07 0.44 0.09 1.57 3.04 -1.91 -3.33 116.94 116.92 1bjg h PHE 171 Ca 0.24 -0.18 -0.31 0.00 3.98 0.00 0.00 57.97 61.71 1bjg h PHE 171 Cb 0.37 -0.08 -0.02 0.00 2.56 0.00 0.00 35.95 38.79 1bjg h PHE 171 CO -0.35 0.88 -1.65 1.25 -2.02 0.00 0.00 178.31 176.42 1bjg h LEU 172 N -0.12 0.29 0.03 0.59 5.85 -1.93 -3.45 115.31 116.57 1bjg h LEU 172 Ca -0.01 -0.80 -0.39 0.00 0.84 0.00 0.00 57.88 57.52 1bjg h LEU 172 Cb 0.88 -0.09 -0.06 0.00 0.37 0.00 0.00 40.66 41.76 1bjg h LEU 172 CO 0.06 1.70 -2.34 0.61 -0.34 0.00 0.00 178.44 178.13 1bjg n GLY 173 N 1.77 -0.43 0.26 3.75 0.00 -0.10 -4.63 105.19 105.81 1bjg n GLY 173 Ca -0.30 -0.18 0.03 0.00 0.00 0.00 0.00 46.02 45.57 1bjg n GLY 173 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1bjg h LEU 174 N -0.15 -0.31 -1.26 0.99 5.85 -1.48 -0.45 115.31 118.49 1bjg h LEU 174 Ca -0.55 0.18 0.12 0.00 0.84 0.00 0.00 57.88 58.46 1bjg h LEU 174 Cb 1.87 0.31 -0.07 0.00 0.37 0.00 0.00 40.66 43.14 1bjg h LEU 174 CO -0.10 -0.15 0.57 -0.65 -0.34 0.00 0.00 178.44 177.77 1bjg h PRO 175 N 0.11 0.74 -0.12 5.25 0.11 -1.83 -0.40 132.00 135.86 1bjg h PRO 175 Ca 0.37 -0.04 -0.05 0.00 0.11 0.00 0.00 66.00 66.38 1bjg h PRO 175 Cb 0.63 -0.17 -0.00 0.00 0.11 0.00 0.00 31.00 31.57 1bjg h PRO 175 CO -0.60 0.49 -0.13 0.35 -0.21 0.00 0.00 178.00 177.90 1bjg h PHE 176 N 0.76 0.36 -0.84 0.65 3.04 -1.39 -3.03 116.94 116.49 1bjg h PHE 176 Ca 0.43 -0.11 -0.03 0.00 3.98 0.00 0.00 57.97 62.24 1bjg h PHE 176 Cb 0.58 -0.07 -0.04 0.00 2.56 0.00 0.00 35.95 38.98 1bjg h PHE 176 CO -0.00 0.71 0.41 -0.91 -2.02 0.00 0.00 178.31 176.50 1bjg h ASN 177 N -0.10 1.10 0.33 0.41 -0.26 -0.18 -1.64 115.58 115.24 1bjg h ASN 177 Ca 0.02 -0.14 -0.02 0.00 -0.56 0.00 0.00 56.30 55.61 1bjg h ASN 177 Cb 0.66 -0.28 0.00 0.00 -1.06 0.00 0.00 38.32 37.64 1bjg h ASN 177 CO 0.03 0.93 -0.16 0.40 -1.06 0.00 0.00 177.43 177.57 1bjg h ILE 178 N 1.20 0.70 -0.99 2.81 2.04 -1.16 -1.99 117.51 120.12 1bjg h ILE 178 Ca 0.29 -0.21 0.01 0.00 1.00 0.00 0.00 64.86 65.95 1bjg h ILE 178 Cb 0.12 0.82 -0.05 0.00 -0.74 0.00 0.00 36.82 36.96 1bjg h ILE 178 CO -0.04 0.04 0.65 0.00 0.00 0.00 0.00 178.15 178.81 1bjg h ALA 179 N 0.09 1.25 0.20 1.87 0.00 -1.48 0.18 119.26 121.37 1bjg h ALA 179 Ca -0.04 -0.07 -0.00 0.00 0.00 0.00 0.00 54.91 54.80 1bjg h ALA 179 Cb 0.41 -0.40 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 1bjg h ALA 179 CO 0.07 0.64 -0.15 1.03 0.00 0.00 0.00 179.25 180.84 1bjg h SER 180 N 1.33 -0.39 0.56 0.00 0.87 -1.21 -1.20 113.55 113.50 1bjg h SER 180 Ca 0.36 0.03 -0.10 0.00 -1.23 0.00 0.00 61.79 60.85 1bjg h SER 180 Cb -0.15 0.13 -0.01 0.00 -0.44 0.00 0.00 62.40 61.92 1bjg h SER 180 CO -0.08 -0.24 -0.50 1.88 -0.53 0.00 0.00 176.83 177.37 1bjg h TYR 181 N -0.36 0.00 -0.18 2.24 -1.99 -1.08 -2.51 116.97 113.08 1bjg h TYR 181 Ca -0.01 0.00 -0.09 0.00 2.00 0.00 0.00 58.73 60.62 1bjg h TYR 181 Cb 0.32 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 39.04 1bjg h TYR 181 CO -0.11 0.50 -0.30 0.00 -0.00 0.00 0.00 178.16 178.25 1bjg h ALA 182 N 1.50 1.15 -0.23 3.88 0.00 -0.75 -2.02 119.26 122.79 1bjg h ALA 182 Ca -0.00 -0.35 -0.05 0.00 0.00 0.00 0.00 54.91 54.50 1bjg h ALA 182 Cb 0.91 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.59 1bjg h ALA 182 CO 0.06 0.54 -0.06 1.25 0.00 0.00 0.00 179.25 181.05 1bjg h LEU 183 N 0.32 0.45 -0.82 0.00 6.46 -0.92 -2.66 115.31 118.13 1bjg h LEU 183 Ca 0.04 -0.37 0.08 0.00 -0.12 0.00 0.00 57.88 57.51 1bjg h LEU 183 Cb 0.69 -0.12 -0.07 0.00 -0.73 0.00 0.00 40.66 40.43 1bjg h LEU 183 CO 0.05 0.72 0.49 0.25 -0.62 0.00 0.00 178.44 179.33 1bjg h LEU 184 N 0.18 0.73 -0.82 2.25 5.85 -1.07 -1.36 115.31 121.09 1bjg h LEU 184 Ca 0.06 0.03 -0.05 0.00 0.84 0.00 0.00 57.88 58.76 1bjg h LEU 184 Cb 0.52 -0.12 -0.03 0.00 0.37 0.00 0.00 40.66 41.40 1bjg h LEU 184 CO 0.02 0.45 0.30 0.58 -0.34 0.00 0.00 178.44 179.45 1bjg h VAL 185 N 0.86 1.26 -0.47 1.05 2.07 -1.22 -0.28 116.25 119.52 1bjg h VAL 185 Ca 0.38 -0.84 -0.05 0.00 0.82 0.00 0.00 66.70 67.01 1bjg h VAL 185 Cb 0.26 0.34 -0.02 0.00 -1.52 0.00 0.00 31.29 30.36 1bjg h VAL 185 CO -0.21 0.34 0.08 0.45 0.02 0.00 0.00 177.57 178.26 1bjg h HIS 186 N 1.14 0.81 0.09 1.57 3.86 -1.03 -0.13 115.15 121.46 1bjg h HIS 186 Ca 0.26 -0.11 -0.00 0.00 -1.16 0.00 0.00 60.37 59.35 1bjg h HIS 186 Cb 0.23 -0.22 0.00 0.00 1.06 0.00 0.00 27.41 28.48 1bjg h HIS 186 CO 0.02 0.75 -0.04 0.52 0.86 0.00 0.00 177.93 180.04 1bjg h MET 187 N 0.64 -0.12 -0.40 2.45 2.07 -0.97 -1.40 114.93 117.21 1bjg h MET 187 Ca 0.14 0.01 0.02 0.00 -2.07 0.00 0.00 59.70 57.80 1bjg h MET 187 Cb 0.37 0.03 -0.03 0.00 -1.87 0.00 0.00 31.60 30.10 1bjg h MET 187 CO 0.01 0.05 0.22 0.52 1.07 0.00 0.00 176.91 178.78 1bjg h MET 188 N -0.26 0.43 -0.51 1.72 2.86 -1.01 -1.79 114.93 116.37 1bjg h MET 188 Ca -0.01 -0.03 0.01 0.00 -2.06 0.00 0.00 59.70 57.62 1bjg h MET 188 Cb 0.22 -0.10 -0.03 0.00 0.06 0.00 0.00 31.60 31.76 1bjg h MET 188 CO 0.02 0.29 0.32 0.00 1.06 0.00 0.00 176.91 178.60 1bjg h ALA 189 N 1.19 0.65 -0.48 6.32 0.00 -0.96 -1.64 119.26 124.34 1bjg h ALA 189 Ca 0.16 -0.02 0.01 0.00 0.00 0.00 0.00 54.91 55.06 1bjg h ALA 189 Cb 0.03 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.62 1bjg h ALA 189 CO -0.09 0.05 0.30 0.37 0.00 0.00 0.00 179.25 179.88 1bjg h GLN 190 N 0.65 0.59 0.00 0.00 4.15 -0.96 -0.28 115.11 119.26 1bjg h GLN 190 Ca 0.20 -0.04 0.00 0.00 0.77 0.00 0.00 58.65 59.58 1bjg h GLN 190 Cb -0.03 -0.13 0.00 0.00 0.21 0.00 0.00 27.48 27.52 1bjg h GLN 190 CO -0.07 0.39 0.00 1.96 -1.93 0.00 0.00 178.83 179.19 1bjg h GLN 191 N 0.61 0.00 -0.30 1.69 1.08 -0.89 -2.78 115.11 114.51 1bjg h GLN 191 Ca 0.18 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.38 1bjg h GLN 191 Cb -0.03 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.40 1bjg h GLN 191 CO -0.06 0.00 0.00 0.00 -0.95 0.00 0.00 178.83 177.82 1bjg n ASP 193 N 0.29 -3.25 -4.46 0.00 8.00 -0.44 -4.99 116.55 111.71 1bjg n ASP 193 Ca 0.12 -0.79 -0.25 0.00 0.71 0.00 0.00 54.79 54.57 1bjg n ASP 193 Cb 0.46 -3.97 -0.11 0.00 -0.02 0.00 0.00 41.12 37.49 1bjg n ASP 193 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1bjg s LEU 194 N -7.03 2.55 0.41 0.64 1.43 -0.25 -5.04 118.68 111.39 1bjg s LEU 194 Ca 0.38 -0.95 -0.09 0.00 -1.03 0.00 0.00 54.13 52.44 1bjg s LEU 194 Cb -0.19 -1.15 -0.06 0.00 0.03 0.00 0.00 46.19 44.83 1bjg s LEU 194 CO 0.82 0.07 0.75 -1.61 0.23 0.00 0.00 176.35 176.62 1bjg s GLU 195 N -3.19 3.71 0.21 1.70 0.41 0.32 -4.34 118.70 117.52 1bjg s GLU 195 Ca 0.26 0.36 -0.24 0.00 -0.41 0.00 0.00 54.97 54.94 1bjg s GLU 195 Cb -0.06 -2.41 -0.08 0.00 -1.78 0.00 0.00 34.13 29.79 1bjg s GLU 195 CO 0.13 -0.06 0.80 0.14 -0.49 0.00 0.00 175.26 175.79 1bjg s VAL 196 N -2.44 4.36 0.00 2.63 -7.23 -1.26 -0.53 120.40 115.94 1bjg s VAL 196 Ca 0.50 1.66 0.00 0.00 -1.81 0.00 0.00 61.98 62.32 1bjg s VAL 196 Cb -0.10 -4.07 0.00 0.00 0.56 0.00 0.00 36.38 32.77 1bjg s VAL 196 CO 0.35 0.39 0.00 0.61 -0.31 0.00 0.00 175.10 176.13 1bjg n GLY 197 N 1.22 1.23 3.90 2.32 0.00 0.24 -4.48 105.19 109.61 1bjg n GLY 197 Ca -0.03 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.71 1bjg n GLY 197 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1bjg s ASP 198 N 0.15 6.12 -0.26 1.61 1.01 -1.25 -0.87 116.67 123.17 1bjg s ASP 198 Ca 0.00 0.12 0.02 0.00 0.71 0.00 0.00 52.55 53.41 1bjg s ASP 198 Cb 0.00 -1.80 0.06 0.00 1.01 0.00 0.00 42.92 42.19 1bjg s ASP 198 CO 0.00 0.10 -0.11 0.12 0.21 0.00 0.00 175.17 175.49 1bjg s PHE 199 N -1.65 3.23 -0.24 4.23 5.36 -0.20 -1.44 117.98 127.28 1bjg s PHE 199 Ca 0.33 -2.24 -0.11 0.00 -0.96 0.00 0.00 56.93 53.96 1bjg s PHE 199 Cb -0.11 -1.94 -0.05 0.00 -0.34 0.00 0.00 43.02 40.57 1bjg s PHE 199 CO 0.27 -0.87 0.19 0.08 -1.46 0.00 0.00 175.22 173.43 1bjg s VAL 200 N 1.13 5.34 -0.19 3.12 1.01 0.21 -0.79 120.40 130.22 1bjg s VAL 200 Ca -0.08 0.24 -0.06 0.00 0.00 0.00 0.00 61.98 62.08 1bjg s VAL 200 Cb -0.19 -3.53 -0.03 0.00 0.00 0.00 0.00 36.38 32.63 1bjg s VAL 200 CO -0.05 0.33 0.02 0.86 0.00 0.00 0.00 175.10 176.25 1bjg s TRP 201 N 1.14 3.09 -0.09 5.22 -0.00 0.18 -1.23 118.94 127.25 1bjg s TRP 201 Ca 0.09 -0.29 0.04 0.00 -0.00 0.00 0.00 56.10 55.93 1bjg s TRP 201 Cb -0.14 -2.08 0.00 0.00 -0.00 0.00 0.00 33.47 31.25 1bjg s TRP 201 CO 0.05 -0.13 -0.22 0.99 -0.00 0.00 0.00 176.95 177.65 1bjg s THR 202 N 0.82 1.86 0.19 5.86 2.01 0.26 -0.80 115.64 125.85 1bjg s THR 202 Ca 0.01 -0.91 0.10 0.00 0.31 0.00 0.00 61.69 61.21 1bjg s THR 202 Cb -0.14 -1.62 -0.04 0.00 0.01 0.00 0.00 72.50 70.71 1bjg s THR 202 CO 0.02 0.52 -0.21 -0.83 -0.69 0.00 0.00 174.62 173.42 1bjg s GLY 203 N 0.37 1.62 0.00 4.40 0.00 0.02 0.06 107.32 113.78 1bjg s GLY 203 Ca -0.17 -1.61 0.00 0.00 0.00 0.00 0.00 44.72 42.94 1bjg s GLY 203 CO 0.08 -1.66 0.00 0.61 0.00 0.00 0.00 173.10 172.13 1bjg n GLY 204 N 0.17 0.34 3.56 0.20 0.00 0.15 -2.74 105.19 106.87 1bjg n GLY 204 Ca -0.12 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.54 1bjg n GLY 204 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1bjg s ASP 205 N -1.00 5.76 -0.24 1.61 -1.08 -0.07 -1.90 116.67 119.75 1bjg s ASP 205 Ca 0.00 -0.60 -0.13 0.00 -0.52 0.00 0.00 52.55 51.30 1bjg s ASP 205 Cb 0.00 -2.56 -0.04 0.00 -1.46 0.00 0.00 42.92 38.86 1bjg s ASP 205 CO 0.00 -2.13 0.30 -0.89 0.52 0.00 0.00 175.17 172.97 1bjg s THR 206 N 7.51 5.25 0.25 1.71 2.01 -0.31 -1.02 115.64 131.05 1bjg s THR 206 Ca 0.55 0.45 -0.05 0.00 0.31 0.00 0.00 61.69 62.95 1bjg s THR 206 Cb -0.07 -3.63 -0.02 0.00 0.01 0.00 0.00 72.50 68.80 1bjg s THR 206 CO 0.05 0.25 0.34 -1.38 -0.69 0.00 0.00 174.62 173.20 1bjg s HIS 207 N 1.52 0.87 -0.04 4.92 -3.43 -0.12 -1.28 115.29 117.72 1bjg s HIS 207 Ca 0.13 -1.13 0.01 0.00 -0.80 0.00 0.00 55.06 53.27 1bjg s HIS 207 Cb -0.15 -0.18 0.02 0.00 -1.43 0.00 0.00 32.58 30.84 1bjg s HIS 207 CO 0.08 -0.89 -0.04 -0.51 -2.00 0.00 0.00 174.74 171.38 1bjg s LEU 208 N -3.13 1.36 0.39 5.38 1.43 -0.73 -0.67 118.68 122.70 1bjg s LEU 208 Ca 0.31 -0.11 -0.26 0.00 -1.03 0.00 0.00 54.13 53.05 1bjg s LEU 208 Cb 0.02 -0.39 -0.09 0.00 0.03 0.00 0.00 46.19 45.76 1bjg s LEU 208 CO 0.13 -0.05 1.19 -0.31 0.23 0.00 0.00 176.35 177.54 1bjg s TYR 209 N 0.83 3.06 0.51 0.29 1.51 -1.26 -1.10 117.35 121.19 1bjg s TYR 209 Ca -0.11 1.54 0.19 0.00 -1.01 0.00 0.00 57.07 57.68 1bjg s TYR 209 Cb -0.14 -3.44 1.27 0.00 -0.11 0.00 0.00 41.96 39.55 1bjg s TYR 209 CO -0.00 -1.40 2.06 0.66 -1.11 0.00 0.00 175.55 175.75 1bjg h SER 210 N 2.74 0.08 -0.28 2.29 4.64 -1.42 -1.84 113.55 119.76 1bjg h SER 210 Ca -0.49 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 60.79 1bjg h SER 210 Cb 1.23 -0.02 -0.02 0.00 -0.31 0.00 0.00 62.40 63.28 1bjg h SER 210 CO 0.63 0.05 0.05 -0.46 -0.87 0.00 0.00 176.83 176.23 1bjg n ASN 211 N -4.46 3.07 -0.08 4.97 6.94 -1.26 -3.44 115.26 121.00 1bjg n ASN 211 Ca 0.05 -2.45 0.03 0.00 -0.02 0.00 0.00 54.58 52.19 1bjg n ASN 211 Cb 0.35 -0.59 0.05 0.00 -2.36 0.00 0.00 39.78 37.23 1bjg n ASN 211 CO 0.00 0.00 0.00 1.41 -1.03 0.00 0.00 177.26 177.64 1bjg n HIS 212 N 0.18 0.00 -0.16 -2.53 8.25 -0.69 -4.83 115.22 115.44 1bjg n HIS 212 Ca 0.14 -0.55 -0.08 0.00 -0.26 0.00 0.00 57.72 56.98 1bjg n HIS 212 Cb 0.72 -0.08 0.01 0.00 1.12 0.00 0.00 29.99 31.76 1bjg n HIS 212 CO 0.00 0.00 0.00 0.52 0.64 0.00 0.00 176.34 177.50 1bjg h MET 213 N 0.00 0.68 -0.02 -0.41 2.86 -1.70 -1.41 114.93 114.93 1bjg h MET 213 Ca 0.00 -0.10 -0.00 0.00 -2.06 0.00 0.00 59.70 57.54 1bjg h MET 213 Cb 0.84 -0.12 -0.00 0.00 0.06 0.00 0.00 31.60 32.38 1bjg h MET 213 CO 0.00 0.57 0.01 -0.44 1.06 0.00 0.00 176.91 178.11 1bjg h ASP 214 N 0.62 0.02 -0.57 1.22 3.32 -1.89 -0.25 116.42 118.89 1bjg h ASP 214 Ca 0.16 -0.08 0.03 0.00 0.02 0.00 0.00 57.03 57.16 1bjg h ASP 214 Cb 0.12 -0.01 -0.03 0.00 0.22 0.00 0.00 39.33 39.63 1bjg h ASP 214 CO -0.02 0.09 0.38 1.56 -1.72 0.00 0.00 179.24 179.53 1bjg h GLN 215 N -0.05 0.65 -0.05 3.56 7.50 -1.90 0.11 115.11 124.93 1bjg h GLN 215 Ca 0.01 -0.04 -0.02 0.00 0.50 0.00 0.00 58.65 59.10 1bjg h GLN 215 Cb 0.08 -0.15 -0.00 0.00 0.05 0.00 0.00 27.48 27.46 1bjg h GLN 215 CO -0.00 0.43 -0.03 1.15 -1.50 0.00 0.00 178.83 178.88 1bjg h THR 216 N 0.67 1.34 -0.73 -0.54 2.02 -0.88 -0.71 112.91 114.09 1bjg h THR 216 Ca 0.23 -1.08 -0.01 0.00 0.77 0.00 0.00 66.41 66.31 1bjg h THR 216 Cb 0.08 1.97 -0.03 0.00 -1.74 0.00 0.00 68.15 68.42 1bjg h THR 216 CO -0.06 0.29 0.42 0.45 0.37 0.00 0.00 175.52 176.99 1bjg h HIS 217 N -0.31 0.99 0.24 3.16 3.86 -0.45 -0.31 115.15 122.33 1bjg h HIS 217 Ca 0.01 -0.02 -0.01 0.00 -1.16 0.00 0.00 60.37 59.20 1bjg h HIS 217 Cb 0.49 -0.32 -0.01 0.00 1.06 0.00 0.00 27.41 28.63 1bjg h HIS 217 CO 0.08 0.68 -0.16 1.25 0.86 0.00 0.00 177.93 180.64 1bjg h LEU 218 N 1.00 -0.40 -1.06 2.43 5.85 -0.75 -2.53 115.31 119.84 1bjg h LEU 218 Ca 0.26 0.03 0.00 0.00 0.84 0.00 0.00 57.88 59.01 1bjg h LEU 218 Cb 0.01 0.12 -0.04 0.00 0.37 0.00 0.00 40.66 41.12 1bjg h LEU 218 CO -0.04 -0.25 0.58 -0.61 -0.34 0.00 0.00 178.44 177.77 1bjg h GLN 219 N -0.39 1.21 0.00 1.25 4.15 -0.83 -1.82 115.11 118.69 1bjg h GLN 219 Ca -0.02 -0.09 0.00 0.00 0.77 0.00 0.00 58.65 59.31 1bjg h GLN 219 Cb 0.33 -0.27 0.00 0.00 0.21 0.00 0.00 27.48 27.76 1bjg h GLN 219 CO 0.01 0.82 0.00 -0.07 -1.93 0.00 0.00 178.83 177.67 1bjg h LEU 220 N 1.24 0.00 0.00 -2.39 3.38 -0.76 -1.26 115.31 115.52 1bjg h LEU 220 Ca 0.33 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.30 1bjg h LEU 220 Cb -0.11 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.64 1bjg h LEU 220 CO -0.07 0.00 -0.30 -1.54 0.09 0.00 0.00 178.44 176.62 1bjg n SER 221 N -3.05 0.59 -4.80 -0.43 3.41 -0.68 -4.86 113.62 103.80 1bjg n SER 221 Ca -0.02 0.27 -0.36 0.00 -0.26 0.00 0.00 58.87 58.50 1bjg n SER 221 Cb 0.15 -0.24 -0.06 0.00 -0.26 0.00 0.00 64.21 63.79 1bjg n SER 221 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 1bjg s ARG 222 N -3.09 4.36 -0.14 4.33 3.00 -0.48 -5.05 118.95 121.88 1bjg s ARG 222 Ca 0.10 1.02 -0.22 0.00 0.00 0.00 0.00 55.73 56.63 1bjg s ARG 222 Cb 0.15 -2.86 -0.03 0.00 0.00 0.00 0.00 34.95 32.20 1bjg s ARG 222 CO 0.65 0.36 0.64 -1.21 0.00 0.00 0.00 175.30 175.74 1bjg s GLU 223 N -1.98 4.31 0.28 3.54 0.41 -1.26 -5.01 118.70 118.99 1bjg s GLU 223 Ca 0.45 0.71 -0.30 0.00 -0.41 0.00 0.00 54.97 55.42 1bjg s GLU 223 Cb -0.17 -3.51 -0.11 0.00 -1.78 0.00 0.00 34.13 28.55 1bjg s GLU 223 CO 0.22 -0.09 1.56 -1.25 -0.49 0.00 0.00 175.26 175.21 1bjg s PRO 224 N 1.37 4.16 0.59 0.39 0.04 -1.26 -4.83 135.00 135.47 1bjg s PRO 224 Ca 0.32 2.51 -0.01 0.00 0.04 0.00 0.00 61.00 63.86 1bjg s PRO 224 Cb -0.16 -3.04 0.04 0.00 0.04 0.00 0.00 34.50 31.37 1bjg s PRO 224 CO 0.13 -0.59 0.84 1.03 0.04 0.00 0.00 177.00 178.46 1bjg s ARG 225 N -0.43 2.44 0.56 4.56 1.81 -1.26 -5.04 118.95 121.58 1bjg s ARG 225 Ca 0.63 -0.65 -0.20 0.00 -1.72 0.00 0.00 55.73 53.79 1bjg s ARG 225 Cb -0.46 -2.40 -0.04 0.00 -0.45 0.00 0.00 34.95 31.59 1bjg s ARG 225 CO 0.46 -0.86 1.23 -1.25 -0.68 0.00 0.00 175.30 174.20 1bjg s PRO 226 N -4.90 3.14 0.41 3.54 0.04 -1.26 -4.90 135.00 131.07 1bjg s PRO 226 Ca 0.58 1.90 -0.24 0.00 0.04 0.00 0.00 61.00 63.28 1bjg s PRO 226 Cb -0.10 -2.08 -0.08 0.00 0.04 0.00 0.00 34.50 32.27 1bjg s PRO 226 CO 0.40 -1.09 1.11 -0.51 0.04 0.00 0.00 177.00 176.96 1bjg s LEU 227 N -3.77 4.15 0.00 -3.56 1.43 -1.26 -4.79 118.68 110.87 1bjg s LEU 227 Ca 0.74 2.20 0.00 0.00 -1.03 0.00 0.00 54.13 56.04 1bjg s LEU 227 Cb -0.32 -4.12 0.00 0.00 0.03 0.00 0.00 46.19 41.78 1bjg s LEU 227 CO 0.36 -0.62 0.00 -0.81 0.23 0.00 0.00 176.35 175.51 1bjg n PRO 228 N -0.05 -0.56 -4.32 1.29 -0.04 -1.26 -4.70 135.00 125.36 1bjg n PRO 228 Ca 0.05 0.00 -0.21 0.00 -0.04 0.00 0.00 63.50 63.30 1bjg n PRO 228 Cb 0.48 0.00 -0.16 0.00 -0.04 0.00 0.00 33.50 33.78 1bjg n PRO 228 CO 0.00 0.00 0.00 0.21 -0.04 0.00 0.00 175.50 175.67 1bjg s LYS 229 N -2.98 1.06 -0.13 0.54 2.20 0.14 -1.10 119.74 119.48 1bjg s LYS 229 Ca 0.00 -0.23 -0.22 0.00 -0.36 0.00 0.00 55.97 55.16 1bjg s LYS 229 Cb 0.00 -0.98 -0.03 0.00 -1.51 0.00 0.00 37.83 35.31 1bjg s LYS 229 CO 0.00 -0.00 0.66 -1.17 -0.36 0.00 0.00 175.35 174.47 1bjg s LEU 230 N 0.65 4.24 -0.18 5.43 1.98 -1.26 -0.08 118.68 129.46 1bjg s LEU 230 Ca -0.10 1.01 -0.02 0.00 -2.89 0.00 0.00 54.13 52.12 1bjg s LEU 230 Cb -0.13 -2.97 -0.01 0.00 0.66 0.00 0.00 46.19 43.73 1bjg s LEU 230 CO 0.01 -0.18 -0.08 -0.63 -1.89 0.00 0.00 176.35 173.59 1bjg s ILE 231 N 1.27 3.28 -0.51 6.68 -1.09 0.16 -4.98 121.20 126.01 1bjg s ILE 231 Ca 0.33 -0.55 -0.08 0.00 -2.23 0.00 0.00 60.65 58.12 1bjg s ILE 231 Cb -0.17 -2.45 0.13 0.00 -1.58 0.00 0.00 42.46 38.40 1bjg s ILE 231 CO 0.14 0.47 0.37 -0.63 -1.23 0.00 0.00 174.94 174.05 1bjg s ILE 232 N 0.98 4.12 0.39 2.92 1.01 -1.26 -0.61 121.20 128.76 1bjg s ILE 232 Ca -0.01 -2.02 0.22 0.00 0.00 0.00 0.00 60.65 58.85 1bjg s ILE 232 Cb -0.15 -3.71 0.40 0.00 0.01 0.00 0.00 42.46 39.01 1bjg s ILE 232 CO -0.00 -0.80 1.63 0.11 0.00 0.00 0.00 174.94 175.88 1bjg h LYS 233 N 8.17 0.14 -3.65 2.79 1.79 0.17 -3.43 116.57 122.55 1bjg h LYS 233 Ca -0.15 -0.01 -0.07 0.00 -2.18 0.00 0.00 60.65 58.24 1bjg h LYS 233 Cb 1.05 -0.03 -0.12 0.00 -1.58 0.00 0.00 32.23 31.55 1bjg h LYS 233 CO 0.81 0.10 -0.20 -0.98 -1.08 0.00 0.00 179.45 178.10 1bjg s ARG 234 N -5.48 1.14 -0.41 3.15 1.70 -1.26 -5.11 118.95 112.68 1bjg s ARG 234 Ca -0.09 -0.98 -0.11 0.00 -0.47 0.00 0.00 55.73 54.08 1bjg s ARG 234 Cb 0.31 0.42 0.06 0.00 -0.57 0.00 0.00 34.95 35.17 1bjg s ARG 234 CO 0.80 -0.44 0.27 0.21 -1.08 0.00 0.00 175.30 175.06 1bjg s LYS 235 N -3.90 2.77 1.24 3.89 2.20 -1.26 -5.05 119.74 119.62 1bjg s LYS 235 Ca 0.11 -1.28 -0.16 0.00 -0.36 0.00 0.00 55.97 54.28 1bjg s LYS 235 Cb 0.02 -3.84 0.30 0.00 -1.51 0.00 0.00 37.83 32.81 1bjg s LYS 235 CO -0.05 -0.86 1.01 -2.14 -0.36 0.00 0.00 175.35 172.95 1bjg s PRO 236 N 1.53 -1.48 0.07 4.03 0.02 -1.26 -4.97 135.00 132.94 1bjg s PRO 236 Ca 0.03 0.47 -0.17 0.00 0.02 0.00 0.00 61.00 61.35 1bjg s PRO 236 Cb -0.22 -1.52 -0.11 0.00 0.02 0.00 0.00 34.50 32.67 1bjg s PRO 236 CO 0.05 -4.00 1.38 0.93 -0.33 0.00 0.00 177.00 175.03 1bjg h GLU 237 N -2.81 0.56 -4.36 5.54 3.07 -1.98 -3.47 114.58 111.13 1bjg h GLU 237 Ca -0.54 -0.30 -0.25 0.00 -0.50 0.00 0.00 59.36 57.77 1bjg h GLU 237 Cb 1.33 0.01 -0.12 0.00 -0.84 0.00 0.00 28.75 29.14 1bjg h GLU 237 CO 0.44 0.89 -0.41 -1.54 -1.40 0.00 0.00 179.01 176.98 1bjg s SER 238 N -6.39 0.50 0.60 1.42 1.04 -1.26 -5.02 113.70 104.58 1bjg s SER 238 Ca -0.13 -1.37 0.32 0.00 0.48 0.00 0.00 55.95 55.25 1bjg s SER 238 Cb 0.07 0.51 1.89 0.00 0.10 0.00 0.00 66.02 68.59 1bjg s SER 238 CO 0.80 -1.02 2.26 -0.29 0.98 0.00 0.00 173.24 175.96 1bjg h ILE 239 N 2.37 0.44 -0.21 -1.02 6.09 -1.95 -0.67 117.51 122.56 1bjg h ILE 239 Ca -0.31 -0.06 0.00 0.00 -1.37 0.00 0.00 64.86 63.12 1bjg h ILE 239 Cb 1.25 1.04 0.00 0.00 0.47 0.00 0.00 36.82 39.58 1bjg h ILE 239 CO 0.44 0.01 0.00 0.49 -3.07 0.00 0.00 178.15 176.02 1bjg n PHE 240 N -3.69 0.27 -0.69 2.19 3.72 -1.26 -4.10 117.46 113.90 1bjg n PHE 240 Ca -0.03 -0.13 0.08 0.00 -0.05 0.00 0.00 57.45 57.31 1bjg n PHE 240 Cb 0.10 0.00 0.24 0.00 -0.94 0.00 0.00 39.48 38.87 1bjg n PHE 240 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 176.76 176.46 1bjg n ASP 241 N 0.29 3.69 -4.81 4.37 8.00 -0.26 -5.02 116.55 122.80 1bjg n ASP 241 Ca 0.14 -2.63 -0.33 0.00 0.71 0.00 0.00 54.79 52.68 1bjg n ASP 241 Cb 0.29 -0.45 -0.03 0.00 -0.02 0.00 0.00 41.12 40.92 1bjg n ASP 241 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 1bjg s TYR 242 N -2.14 3.15 0.03 1.24 1.51 -1.26 -4.77 117.35 115.11 1bjg s TYR 242 Ca 0.37 1.54 0.05 0.00 -1.01 0.00 0.00 57.07 58.02 1bjg s TYR 242 Cb 0.27 -2.95 -0.02 0.00 -0.11 0.00 0.00 41.96 39.15 1bjg s TYR 242 CO 0.12 -0.67 -0.14 1.03 -1.11 0.00 0.00 175.55 174.79 1bjg s ARG 243 N -3.60 0.97 0.30 -0.62 0.52 -1.26 -5.05 118.95 110.21 1bjg s ARG 243 Ca 0.64 -0.70 0.03 0.00 -0.52 0.00 0.00 55.73 55.18 1bjg s ARG 243 Cb -0.14 -0.97 0.77 0.00 0.52 0.00 0.00 34.95 35.13 1bjg s ARG 243 CO 0.25 0.25 1.62 0.35 0.02 0.00 0.00 175.30 177.79 1bjg h PHE 244 N 5.11 0.27 0.00 -0.53 3.57 -1.97 0.24 116.94 123.62 1bjg h PHE 244 Ca -0.37 0.06 0.00 0.00 3.53 0.00 0.00 57.97 61.18 1bjg h PHE 244 Cb 1.18 0.03 0.00 0.00 2.79 0.00 0.00 35.95 39.95 1bjg h PHE 244 CO 0.50 -0.30 0.00 1.05 -2.23 0.00 0.00 178.31 177.34 1bjg h GLU 245 N 0.13 0.00 0.00 1.11 9.09 -2.03 -3.05 114.58 119.83 1bjg h GLU 245 Ca 0.59 0.00 0.00 0.00 0.05 0.00 0.00 59.36 60.00 1bjg h GLU 245 Cb 1.23 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.33 1bjg h GLU 245 CO -0.74 0.00 0.00 -0.44 0.05 0.00 0.00 179.01 177.88 1bjg h ASP 246 N 0.00 0.00 -3.13 3.06 3.32 -0.90 -3.44 116.42 115.33 1bjg h ASP 246 Ca 0.00 0.00 -0.64 0.00 0.02 0.00 0.00 57.03 56.41 1bjg h ASP 246 Cb 0.33 0.00 -0.09 0.00 0.22 0.00 0.00 39.33 39.79 1bjg h ASP 246 CO 0.00 0.00 -0.58 -0.36 -1.72 0.00 0.00 179.24 176.58 1bjg s PHE 247 N -3.79 3.26 -0.18 4.55 0.08 -1.15 0.88 117.98 121.62 1bjg s PHE 247 Ca -0.01 0.15 -0.10 0.00 0.12 0.00 0.00 56.93 57.08 1bjg s PHE 247 Cb 0.10 -1.68 0.06 0.00 -0.57 0.00 0.00 43.02 40.93 1bjg s PHE 247 CO 0.44 0.54 0.43 -2.00 -0.10 0.00 0.00 175.22 174.53 1bjg s GLU 248 N -2.11 0.42 -0.21 0.44 2.12 0.22 -4.93 118.70 114.66 1bjg s GLU 248 Ca 0.27 0.80 -0.09 0.00 0.36 0.00 0.00 54.97 56.31 1bjg s GLU 248 Cb -0.12 0.01 -0.04 0.00 0.26 0.00 0.00 34.13 34.24 1bjg s GLU 248 CO 0.19 -0.15 0.10 -1.50 -0.54 0.00 0.00 175.26 173.37 1bjg s ILE 249 N 1.29 5.06 -0.10 -3.70 2.07 -1.26 0.36 121.20 124.92 1bjg s ILE 249 Ca -0.09 0.07 0.00 0.00 -1.41 0.00 0.00 60.65 59.22 1bjg s ILE 249 Cb -0.08 -3.31 -0.02 0.00 0.13 0.00 0.00 42.46 39.18 1bjg s ILE 249 CO -0.12 0.42 -0.10 -0.70 -1.91 0.00 0.00 174.94 172.53 1bjg s GLU 250 N 0.62 3.12 -0.34 3.50 2.12 0.88 -4.72 118.70 123.89 1bjg s GLU 250 Ca 0.06 -0.62 -0.01 0.00 0.36 0.00 0.00 54.97 54.75 1bjg s GLU 250 Cb -0.12 -2.63 0.00 0.00 0.26 0.00 0.00 34.13 31.64 1bjg s GLU 250 CO 0.01 0.41 0.16 0.41 -0.54 0.00 0.00 175.26 175.71 1bjg n GLY 251 N 2.98 0.46 3.44 -1.50 0.00 -1.26 0.26 105.19 109.56 1bjg n GLY 251 Ca -0.18 -0.56 -0.42 0.00 0.00 0.00 0.00 46.02 44.87 1bjg n GLY 251 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1bjg s TYR 252 N -2.75 3.24 -0.53 1.61 5.04 -1.26 -4.10 117.35 118.60 1bjg s TYR 252 Ca 0.08 -0.67 0.04 0.00 -2.44 0.00 0.00 57.07 54.09 1bjg s TYR 252 Cb -0.04 -2.53 0.17 0.00 0.35 0.00 0.00 41.96 39.91 1bjg s TYR 252 CO 0.10 -0.59 0.40 0.34 -1.34 0.00 0.00 175.55 174.46 1bjg s ASP 253 N 1.65 2.88 0.79 4.32 2.15 -1.26 -5.10 116.67 122.10 1bjg s ASP 253 Ca 0.04 -3.37 -0.09 0.00 0.43 0.00 0.00 52.55 49.56 1bjg s ASP 253 Cb -0.19 -0.94 0.11 0.00 -0.30 0.00 0.00 42.92 41.61 1bjg s ASP 253 CO 0.09 -0.14 1.12 -2.16 -0.17 0.00 0.00 175.17 173.91 1bjg s PRO 254 N -0.54 1.64 0.76 4.34 0.04 -1.26 -4.86 135.00 135.12 1bjg s PRO 254 Ca 0.29 -0.39 -0.09 0.00 0.04 0.00 0.00 61.00 60.86 1bjg s PRO 254 Cb -0.01 -2.07 0.09 0.00 0.04 0.00 0.00 34.50 32.55 1bjg s PRO 254 CO -0.18 -1.66 1.09 -1.01 0.04 0.00 0.00 177.00 175.29 1bjg s HIS 255 N -3.46 2.69 0.79 0.56 3.76 0.98 -4.85 115.29 115.76 1bjg s HIS 255 Ca 0.65 0.46 -0.15 0.00 -0.15 0.00 0.00 55.06 55.87 1bjg s HIS 255 Cb -0.08 -3.37 0.02 0.00 1.11 0.00 0.00 32.58 30.27 1bjg s HIS 255 CO 0.48 -1.66 0.82 -2.30 -0.85 0.00 0.00 174.74 171.22 1bjg n PRO 256 N -3.11 0.21 -1.22 8.40 -0.02 -1.26 -1.34 135.00 136.65 1bjg n PRO 256 Ca 0.09 0.13 -0.30 0.00 -2.02 0.00 0.00 63.50 61.40 1bjg n PRO 256 Cb 0.60 -2.11 0.12 0.00 -0.02 0.00 0.00 33.50 32.09 1bjg n PRO 256 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 1bjg s GLY 257 N -1.80 1.64 -0.07 -1.23 0.00 -1.26 -3.29 107.32 101.31 1bjg s GLY 257 Ca 0.68 0.08 -0.01 0.00 0.00 0.00 0.00 44.72 45.48 1bjg s GLY 257 CO 0.56 0.51 -0.02 -0.42 0.00 0.00 0.00 173.10 173.73 1bjg s ILE 258 N -2.92 0.49 0.43 0.90 1.01 -1.26 -4.85 121.20 115.00 1bjg s ILE 258 Ca 0.62 0.02 -0.22 0.00 0.00 0.00 0.00 60.65 61.08 1bjg s ILE 258 Cb -0.18 -0.60 -0.09 0.00 0.01 0.00 0.00 42.46 41.60 1bjg s ILE 258 CO 0.57 0.27 1.01 -0.54 0.00 0.00 0.00 174.94 176.24 1bjg s LYS 259 N 1.73 4.08 -0.32 2.79 1.02 -1.26 -5.04 119.74 122.75 1bjg s LYS 259 Ca 0.02 1.34 -0.02 0.00 0.02 0.00 0.00 55.97 57.33 1bjg s LYS 259 Cb -0.13 -2.31 0.11 0.00 -0.52 0.00 0.00 37.83 34.98 1bjg s LYS 259 CO -0.05 -0.18 0.14 0.00 -0.92 0.00 0.00 175.35 174.35 1bjg s ALA 260 N -1.90 1.00 0.51 5.17 0.00 -1.26 -4.95 121.76 120.33 1bjg s ALA 260 Ca 0.62 -1.47 -0.20 0.00 0.00 0.00 0.00 51.96 50.91 1bjg s ALA 260 Cb -0.16 -1.52 -0.08 0.00 0.00 0.00 0.00 23.12 21.36 1bjg s ALA 260 CO 0.21 -1.76 1.05 -1.25 0.00 0.00 0.00 175.76 174.00 1bjg s PRO 261 N 1.68 3.69 0.12 0.00 0.04 -1.26 -5.05 135.00 134.21 1bjg s PRO 261 Ca 0.11 1.37 0.10 0.00 0.04 0.00 0.00 61.00 62.63 1bjg s PRO 261 Cb -0.18 -2.08 -0.04 0.00 0.04 0.00 0.00 34.50 32.24 1bjg s PRO 261 CO -0.25 -0.52 -0.25 0.14 0.04 0.00 0.00 177.00 176.16 1bjg s VAL 262 N -2.01 2.36 0.69 -0.36 -7.23 -1.26 -4.92 120.40 107.66 1bjg s VAL 262 Ca 0.67 -1.67 -0.09 0.00 -1.81 0.00 0.00 61.98 59.08 1bjg s VAL 262 Cb -0.17 -2.04 0.03 0.00 0.56 0.00 0.00 36.38 34.76 1bjg s VAL 262 CO 0.23 0.13 1.05 0.00 -0.31 0.00 0.00 175.10 176.19 1bjg s ALA 263 N -1.05 3.00 0.00 1.32 0.00 -1.26 -5.24 121.76 118.53 1bjg s ALA 263 Ca 0.14 -0.54 0.00 0.00 0.00 0.00 0.00 51.96 51.56 1bjg s ALA 263 Cb -0.10 -2.86 0.00 0.00 0.00 0.00 0.00 23.12 20.16 1bjg s ALA 263 CO 0.06 -1.14 0.32 0.44 0.00 0.00 0.00 175.76 175.44