#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1u8f s VAL 4 N 0.00 2.91 -0.03 3.15 0.11 -1.26 -4.74 120.40 120.54 1u8f s VAL 4 Ca 0.00 0.84 -0.23 0.00 -2.93 0.00 0.00 61.98 59.66 1u8f s VAL 4 Cb 0.00 -3.53 -0.05 0.00 -1.53 0.00 0.00 36.38 31.27 1u8f s VAL 4 CO 0.00 0.17 0.67 -0.54 -3.33 0.00 0.00 175.10 172.07 1u8f s LYS 5 N -1.08 4.41 0.06 1.54 1.02 -1.26 -1.74 119.74 122.69 1u8f s LYS 5 Ca 0.52 0.86 0.09 0.00 0.02 0.00 0.00 55.97 57.46 1u8f s LYS 5 Cb -0.39 -3.40 -0.03 0.00 -0.52 0.00 0.00 37.83 33.50 1u8f s LYS 5 CO 0.46 0.21 -0.26 0.08 -0.92 0.00 0.00 175.35 174.92 1u8f s VAL 6 N 0.32 2.21 0.02 3.17 1.01 0.96 -1.05 120.40 127.03 1u8f s VAL 6 Ca 0.35 -1.45 0.06 0.00 0.00 0.00 0.00 61.98 60.95 1u8f s VAL 6 Cb -0.18 -1.89 -0.03 0.00 0.00 0.00 0.00 36.38 34.28 1u8f s VAL 6 CO 0.18 0.31 -0.18 -0.83 0.00 0.00 0.00 175.10 174.59 1u8f s GLY 7 N -1.41 1.55 -0.16 4.51 0.00 0.10 -0.56 107.32 111.35 1u8f s GLY 7 Ca 0.12 -1.15 0.02 0.00 0.00 0.00 0.00 44.72 43.72 1u8f s GLY 7 CO 0.03 -1.01 -0.21 0.14 0.00 0.00 0.00 173.10 172.05 1u8f s VAL 8 N -0.87 2.06 -0.36 1.40 1.01 0.23 -0.45 120.40 123.43 1u8f s VAL 8 Ca 0.14 -0.96 -0.13 0.00 0.00 0.00 0.00 61.98 61.03 1u8f s VAL 8 Cb -0.10 -1.84 -0.00 0.00 0.00 0.00 0.00 36.38 34.43 1u8f s VAL 8 CO 0.04 0.54 0.24 0.21 0.00 0.00 0.00 175.10 176.14 1u8f s ASN 9 N 1.08 5.97 0.00 3.32 2.47 0.10 -0.90 114.94 126.98 1u8f s ASN 9 Ca -0.00 -0.62 0.00 0.00 0.42 0.00 0.00 52.86 52.65 1u8f s ASN 9 Cb -0.14 -2.11 0.00 0.00 -1.45 0.00 0.00 41.25 37.54 1u8f s ASN 9 CO -0.08 -0.30 0.00 0.61 -3.72 0.00 0.00 177.10 173.61 1u8f n GLY 10 N 5.09 1.37 2.75 1.21 0.00 0.38 -1.47 105.19 114.52 1u8f n GLY 10 Ca -0.12 -1.15 -0.35 0.00 0.00 0.00 0.00 46.02 44.40 1u8f n GLY 10 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1u8f n PHE 11 N 2.75 3.23 -1.27 1.61 7.35 -1.26 -4.08 117.46 125.80 1u8f n PHE 11 Ca 0.00 -2.86 0.00 0.00 -0.76 0.00 0.00 57.45 53.83 1u8f n PHE 11 Cb 0.00 -0.78 0.00 0.00 0.35 0.00 0.00 39.48 39.05 1u8f n PHE 11 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 1u8f n GLY 12 N -0.37 1.39 0.13 7.13 0.00 -1.26 -4.52 105.19 107.69 1u8f n GLY 12 Ca 0.45 -1.90 -0.07 0.00 0.00 0.00 0.00 46.02 44.50 1u8f n GLY 12 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1u8f h ARG 13 N 0.00 -0.00 -0.19 1.61 2.47 -1.94 0.24 114.38 116.57 1u8f h ARG 13 Ca 0.00 0.00 -0.13 0.00 -1.26 0.00 0.00 59.98 58.59 1u8f h ARG 13 Cb 0.00 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.32 1u8f h ARG 13 CO 0.00 -0.00 -0.38 0.82 0.56 0.00 0.00 179.97 180.97 1u8f h ILE 14 N -0.00 1.33 -0.45 2.04 1.08 -1.93 -1.63 117.51 117.95 1u8f h ILE 14 Ca 0.14 -1.61 0.01 0.00 -0.39 0.00 0.00 64.86 63.01 1u8f h ILE 14 Cb 0.21 1.90 -0.03 0.00 -3.07 0.00 0.00 36.82 35.83 1u8f h ILE 14 CO -0.30 0.50 0.28 1.23 -0.69 0.00 0.00 178.15 179.17 1u8f h GLY 15 N 0.25 0.63 1.11 5.37 0.00 -1.64 0.13 103.07 108.92 1u8f h GLY 15 Ca 0.01 -0.22 -0.15 0.00 0.00 0.00 0.00 47.33 46.97 1u8f h GLY 15 CO 0.08 0.20 -0.35 3.21 0.00 0.00 0.00 176.54 179.68 1u8f h ARG 16 N 0.57 0.92 0.00 4.80 3.08 -0.56 -2.43 114.38 120.76 1u8f h ARG 16 Ca 0.17 -0.48 -0.10 0.00 0.07 0.00 0.00 59.98 59.65 1u8f h ARG 16 Cb -0.02 0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.03 1u8f h ARG 16 CO -0.06 1.13 -0.49 -0.07 -1.07 0.00 0.00 179.97 179.40 1u8f h LEU 17 N 0.74 0.00 -0.48 3.04 3.38 -1.11 -0.99 115.31 119.89 1u8f h LEU 17 Ca 0.07 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 57.88 1u8f h LEU 17 Cb 0.95 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.69 1u8f h LEU 17 CO 0.09 0.49 -0.41 0.58 0.09 0.00 0.00 178.44 179.28 1u8f h VAL 18 N 0.00 1.28 -0.38 1.22 2.07 -0.70 -0.61 116.25 119.13 1u8f h VAL 18 Ca -0.00 -1.59 -0.02 0.00 0.82 0.00 0.00 66.70 65.90 1u8f h VAL 18 Cb 1.11 1.47 -0.02 0.00 -1.52 0.00 0.00 31.29 32.33 1u8f h VAL 18 CO 0.06 0.52 0.16 0.74 0.02 0.00 0.00 177.57 179.07 1u8f h THR 19 N 0.65 1.19 -0.24 2.57 2.02 -1.10 -0.19 112.91 117.81 1u8f h THR 19 Ca 0.05 -0.58 0.01 0.00 0.77 0.00 0.00 66.41 66.66 1u8f h THR 19 Cb 0.98 0.86 -0.02 0.00 -1.74 0.00 0.00 68.15 68.23 1u8f h THR 19 CO 0.09 0.21 0.13 0.03 0.37 0.00 0.00 175.52 176.35 1u8f h ARG 20 N 0.47 0.26 -0.85 6.66 3.08 -1.00 -1.99 114.38 121.00 1u8f h ARG 20 Ca 0.13 -0.02 0.03 0.00 0.07 0.00 0.00 59.98 60.19 1u8f h ARG 20 Cb 0.18 -0.06 -0.05 0.00 0.08 0.00 0.00 29.97 30.12 1u8f h ARG 20 CO -0.01 0.17 0.55 0.00 -1.07 0.00 0.00 179.97 179.61 1u8f h ALA 21 N 1.11 1.12 -0.24 0.04 0.00 -0.88 0.37 119.26 120.78 1u8f h ALA 21 Ca 0.10 -0.03 0.01 0.00 0.00 0.00 0.00 54.91 54.98 1u8f h ALA 21 Cb 0.01 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.49 1u8f h ALA 21 CO -0.06 0.38 0.13 0.00 0.00 0.00 0.00 179.25 179.70 1u8f h ALA 22 N 1.35 0.29 0.00 0.00 0.00 -0.63 -0.25 119.26 120.04 1u8f h ALA 22 Ca 0.34 0.00 -0.10 0.00 0.00 0.00 0.00 54.91 55.16 1u8f h ALA 22 Cb 0.01 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 1u8f h ALA 22 CO -0.12 -0.27 -0.46 0.74 0.00 0.00 0.00 179.25 179.15 1u8f h PHE 23 N 0.27 0.00 0.15 0.00 0.04 -0.93 0.61 116.94 117.08 1u8f h PHE 23 Ca 0.10 0.00 -0.30 0.00 2.80 0.00 0.00 57.97 60.57 1u8f h PHE 23 Cb 0.01 0.00 0.02 0.00 2.20 0.00 0.00 35.95 38.19 1u8f h PHE 23 CO -0.09 0.46 -1.29 -0.97 -0.60 0.00 0.00 178.31 175.82 1u8f h ASN 24 N 0.00 0.75 0.62 2.17 -0.73 -0.59 -3.35 115.58 114.45 1u8f h ASN 24 Ca -0.00 -0.73 -0.25 0.00 1.87 0.00 0.00 56.30 57.18 1u8f h ASN 24 Cb 0.96 -0.24 -0.04 0.00 0.27 0.00 0.00 38.32 39.27 1u8f h ASN 24 CO 0.06 1.55 -1.54 0.77 -0.37 0.00 0.00 177.43 177.90 1u8f h SER 25 N 0.20 0.00 0.00 1.15 4.64 -1.07 -3.48 113.55 114.98 1u8f h SER 25 Ca -0.19 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.13 1u8f h SER 25 Cb 1.97 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 64.06 1u8f h SER 25 CO 0.24 0.89 0.00 0.61 -0.87 0.00 0.00 176.83 177.70 1u8f n GLY 26 N 1.49 0.35 0.21 -0.77 0.00 0.20 -4.88 105.19 101.79 1u8f n GLY 26 Ca -0.13 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.89 1u8f n GLY 26 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1u8f h LYS 27 N 0.79 0.21 -4.59 1.61 1.57 -1.88 -3.41 116.57 110.88 1u8f h LYS 27 Ca 0.00 -0.08 -0.22 0.00 -1.87 0.00 0.00 60.65 58.48 1u8f h LYS 27 Cb 0.33 -0.01 -0.15 0.00 0.08 0.00 0.00 32.23 32.48 1u8f h LYS 27 CO 0.00 0.50 -0.67 0.14 -0.57 0.00 0.00 179.45 178.85 1u8f s VAL 28 N -4.36 0.47 -0.24 0.50 -7.23 -1.26 -2.77 120.40 105.51 1u8f s VAL 28 Ca -0.05 -1.93 -0.00 0.00 -1.81 0.00 0.00 61.98 58.19 1u8f s VAL 28 Cb 0.14 -1.91 0.03 0.00 0.56 0.00 0.00 36.38 35.20 1u8f s VAL 28 CO 0.75 -0.64 -0.10 -1.81 -0.31 0.00 0.00 175.10 173.00 1u8f s ASP 29 N -3.07 4.09 -0.09 4.85 1.01 -0.71 -4.66 116.67 118.09 1u8f s ASP 29 Ca 0.19 -0.89 -0.30 0.00 0.71 0.00 0.00 52.55 52.26 1u8f s ASP 29 Cb 0.07 -1.61 -0.03 0.00 1.01 0.00 0.00 42.92 42.36 1u8f s ASP 29 CO -0.01 -0.11 1.19 -0.63 0.21 0.00 0.00 175.17 175.83 1u8f s ILE 30 N 1.29 4.32 0.00 0.77 -1.09 -1.26 -0.03 121.20 125.20 1u8f s ILE 30 Ca -0.00 1.63 0.00 0.00 -2.23 0.00 0.00 60.65 60.05 1u8f s ILE 30 Cb -0.16 -4.05 0.00 0.00 -1.58 0.00 0.00 42.46 36.67 1u8f s ILE 30 CO -0.06 -0.04 0.00 1.33 -1.23 0.00 0.00 174.94 174.94 1u8f n VAL 31 N 4.80 0.00 -3.63 2.92 0.24 0.27 -4.81 118.33 118.12 1u8f n VAL 31 Ca 0.11 -0.46 -0.15 0.00 -2.04 0.00 0.00 64.34 61.80 1u8f n VAL 31 Cb 0.46 0.96 -0.07 0.00 -1.47 0.00 0.00 33.84 33.72 1u8f n VAL 31 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1u8f s ALA 32 N -1.07 -1.38 -0.01 2.33 0.00 -1.16 -1.07 121.76 119.40 1u8f s ALA 32 Ca 0.00 1.10 0.00 0.00 0.00 0.00 0.00 51.96 53.06 1u8f s ALA 32 Cb 0.00 -0.22 0.01 0.00 0.00 0.00 0.00 23.12 22.90 1u8f s ALA 32 CO 0.00 -0.31 -0.00 0.42 0.00 0.00 0.00 175.76 175.86 1u8f s ILE 33 N -0.84 0.08 -0.08 0.00 1.01 -0.22 -0.60 121.20 120.55 1u8f s ILE 33 Ca -0.09 0.00 0.03 0.00 0.00 0.00 0.00 60.65 60.59 1u8f s ILE 33 Cb -0.03 -0.11 0.01 0.00 0.01 0.00 0.00 42.46 42.35 1u8f s ILE 33 CO 0.06 0.05 -0.17 0.21 0.00 0.00 0.00 174.94 175.09 1u8f s ASN 34 N 0.24 2.26 -0.30 3.58 2.47 -0.08 -0.21 114.94 122.90 1u8f s ASN 34 Ca -0.02 -0.39 -0.04 0.00 0.42 0.00 0.00 52.86 52.82 1u8f s ASN 34 Cb -0.04 -1.03 0.19 0.00 -1.45 0.00 0.00 41.25 38.92 1u8f s ASN 34 CO -0.01 0.08 0.74 -0.62 -3.72 0.00 0.00 177.10 173.58 1u8f s ASP 35 N 0.53 -1.10 0.49 -4.21 -1.08 -0.71 -0.47 116.67 110.12 1u8f s ASP 35 Ca -0.16 0.65 0.33 0.00 -0.52 0.00 0.00 52.55 52.86 1u8f s ASP 35 Cb -0.16 1.91 1.53 0.00 -1.46 0.00 0.00 42.92 44.74 1u8f s ASP 35 CO 0.06 -0.21 1.99 -0.65 0.52 0.00 0.00 175.17 176.88 1u8f h PRO 36 N 7.99 0.00 0.00 4.34 0.11 -1.79 -3.20 132.00 139.45 1u8f h PRO 36 Ca -0.19 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.92 1u8f h PRO 36 Cb 1.17 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.28 1u8f h PRO 36 CO 0.14 0.00 -1.34 1.19 -0.21 0.00 0.00 178.00 177.78 1u8f n PHE 37 N -2.82 0.00 -4.01 0.65 3.72 -1.26 -4.87 117.46 108.87 1u8f n PHE 37 Ca -0.00 0.00 -0.33 0.00 -0.05 0.00 0.00 57.45 57.06 1u8f n PHE 37 Cb 0.20 -0.21 -0.15 0.00 -0.94 0.00 0.00 39.48 38.39 1u8f n PHE 37 CO 0.00 0.00 0.00 0.42 -0.05 0.00 0.00 176.76 177.13 1u8f s ILE 38 N -2.99 2.50 0.80 4.37 1.01 -1.21 -5.11 121.20 120.57 1u8f s ILE 38 Ca 0.00 -1.37 -0.11 0.00 0.00 0.00 0.00 60.65 59.17 1u8f s ILE 38 Cb 0.13 -2.37 0.08 0.00 0.01 0.00 0.00 42.46 40.30 1u8f s ILE 38 CO 0.75 0.07 1.16 1.51 0.00 0.00 0.00 174.94 178.43 1u8f s ASP 39 N 1.21 4.56 0.17 3.58 3.84 -1.26 -4.75 116.67 124.01 1u8f s ASP 39 Ca -0.05 0.76 -0.22 0.00 -0.00 0.00 0.00 52.55 53.04 1u8f s ASP 39 Cb -0.18 -1.27 0.09 0.00 -1.38 0.00 0.00 42.92 40.17 1u8f s ASP 39 CO -0.05 -1.86 1.60 0.25 -0.00 0.00 0.00 175.17 175.10 1u8f h LEU 40 N -1.00 -1.08 -1.34 2.11 5.85 -1.96 0.61 115.31 118.50 1u8f h LEU 40 Ca -0.46 0.20 -0.03 0.00 0.84 0.00 0.00 57.88 58.44 1u8f h LEU 40 Cb 1.33 0.52 -0.02 0.00 0.37 0.00 0.00 40.66 42.86 1u8f h LEU 40 CO 0.65 -0.31 0.12 0.78 -0.34 0.00 0.00 178.44 179.35 1u8f h ASN 41 N -0.21 0.52 0.48 1.25 2.35 -1.99 -1.91 115.58 116.07 1u8f h ASN 41 Ca 0.20 -0.06 -0.15 0.00 -0.55 0.00 0.00 56.30 55.73 1u8f h ASN 41 Cb 0.54 -0.13 -0.01 0.00 0.05 0.00 0.00 38.32 38.76 1u8f h ASN 41 CO -0.59 0.50 -0.66 0.22 -1.65 0.00 0.00 177.43 175.25 1u8f h TYR 42 N 0.57 0.22 -0.68 1.19 3.20 -1.68 -2.99 116.97 116.79 1u8f h TYR 42 Ca 0.14 -0.09 -0.07 0.00 3.14 0.00 0.00 58.73 61.85 1u8f h TYR 42 Cb 0.17 -0.04 -0.03 0.00 1.54 0.00 0.00 36.73 38.38 1u8f h TYR 42 CO 0.01 0.78 0.17 0.52 -1.64 0.00 0.00 178.16 177.99 1u8f h MET 43 N 0.12 1.08 -0.14 1.82 2.86 -0.14 -0.51 114.93 120.02 1u8f h MET 43 Ca -0.01 -0.25 0.04 0.00 -2.06 0.00 0.00 59.70 57.41 1u8f h MET 43 Cb 1.18 -0.15 -0.04 0.00 0.06 0.00 0.00 31.60 32.66 1u8f h MET 43 CO 0.10 0.95 -0.08 0.28 1.06 0.00 0.00 176.91 179.22 1u8f h VAL 44 N 1.03 0.74 -0.31 -2.22 2.07 -1.30 -0.30 116.25 115.96 1u8f h VAL 44 Ca 0.22 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.72 1u8f h VAL 44 Cb 0.36 0.74 -0.01 0.00 -1.52 0.00 0.00 31.29 30.85 1u8f h VAL 44 CO 0.00 0.00 0.14 0.22 0.02 0.00 0.00 177.57 177.95 1u8f h TYR 45 N -0.08 0.45 -0.22 1.57 5.03 -1.38 -0.59 116.97 121.75 1u8f h TYR 45 Ca 0.08 -0.02 -0.06 0.00 2.58 0.00 0.00 58.73 61.31 1u8f h TYR 45 Cb 0.20 -0.14 -0.01 0.00 1.55 0.00 0.00 36.73 38.33 1u8f h TYR 45 CO -0.22 0.41 -0.12 0.52 -1.32 0.00 0.00 178.16 177.43 1u8f h MET 46 N 0.36 0.36 0.16 1.82 2.86 -0.83 -2.21 114.93 117.45 1u8f h MET 46 Ca 0.10 -0.09 -0.29 0.00 -2.06 0.00 0.00 59.70 57.36 1u8f h MET 46 Cb 0.13 -0.05 0.01 0.00 0.06 0.00 0.00 31.60 31.76 1u8f h MET 46 CO -0.01 0.48 -1.31 0.35 1.06 0.00 0.00 176.91 177.48 1u8f h PHE 47 N 0.34 0.63 -0.22 -0.22 3.04 -0.92 -3.36 116.94 116.22 1u8f h PHE 47 Ca 0.07 -0.46 -0.08 0.00 3.98 0.00 0.00 57.97 61.47 1u8f h PHE 47 Cb 0.41 -0.03 -0.00 0.00 2.56 0.00 0.00 35.95 38.89 1u8f h PHE 47 CO 0.01 1.36 -0.19 0.37 -2.02 0.00 0.00 178.31 177.84 1u8f h GLN 48 N 0.10 0.52 -5.50 1.11 4.15 -0.94 -3.40 115.11 111.15 1u8f h GLN 48 Ca -0.17 -0.26 -0.65 0.00 0.77 0.00 0.00 58.65 58.34 1u8f h GLN 48 Cb 2.02 0.00 -0.21 0.00 0.21 0.00 0.00 27.48 29.51 1u8f h GLN 48 CO 0.22 0.84 -0.67 0.71 -1.93 0.00 0.00 178.83 178.00 1u8f s TYR 49 N -4.38 3.01 -0.08 3.99 2.02 -0.85 -0.90 117.35 120.15 1u8f s TYR 49 Ca -0.13 -0.22 -0.03 0.00 -0.37 0.00 0.00 57.07 56.32 1u8f s TYR 49 Cb 0.07 -1.90 0.04 0.00 -0.40 0.00 0.00 41.96 39.78 1u8f s TYR 49 CO 0.79 0.06 0.10 0.34 -1.57 0.00 0.00 175.55 175.27 1u8f s ASP 50 N 0.06 1.24 0.45 2.29 -1.08 -1.23 -4.70 116.67 113.70 1u8f s ASP 50 Ca -0.00 0.02 0.12 0.00 -0.52 0.00 0.00 52.55 52.17 1u8f s ASP 50 Cb -0.13 -0.01 1.03 0.00 -1.46 0.00 0.00 42.92 42.35 1u8f s ASP 50 CO 0.03 -0.27 2.05 0.28 0.52 0.00 0.00 175.17 177.77 1u8f h SER 51 N 8.41 0.32 0.08 -0.34 0.02 -1.97 -0.64 113.55 119.43 1u8f h SER 51 Ca -0.13 -0.00 -0.30 0.00 -0.84 0.00 0.00 61.79 60.52 1u8f h SER 51 Cb 1.13 -0.07 -0.02 0.00 0.14 0.00 0.00 62.40 63.58 1u8f h SER 51 CO 0.18 0.21 -1.60 0.74 -1.14 0.00 0.00 176.83 175.23 1u8f h THR 52 N 0.37 0.83 -0.40 -2.27 2.02 -1.97 -3.41 112.91 108.08 1u8f h THR 52 Ca 0.17 -2.30 0.00 0.00 0.77 0.00 0.00 66.41 65.05 1u8f h THR 52 Cb 0.22 2.47 0.00 0.00 -1.74 0.00 0.00 68.15 69.10 1u8f h THR 52 CO -0.04 0.66 0.00 1.41 0.37 0.00 0.00 175.52 177.92 1u8f n HIS 53 N -3.91 0.53 -0.09 3.16 8.25 -1.21 -4.90 115.22 117.04 1u8f n HIS 53 Ca -0.30 -0.46 0.01 0.00 -0.26 0.00 0.00 57.72 56.71 1u8f n HIS 53 Cb 0.89 -0.02 -0.00 0.00 1.12 0.00 0.00 29.99 31.98 1u8f n HIS 53 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1u8f n GLY 54 N 0.77 -1.65 3.76 -1.41 0.00 -0.25 -4.91 105.19 101.49 1u8f n GLY 54 Ca 0.14 -1.49 -0.38 0.00 0.00 0.00 0.00 46.02 44.29 1u8f n GLY 54 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1u8f s LYS 55 N -1.59 3.47 0.32 1.61 2.20 -1.26 -3.57 119.74 120.92 1u8f s LYS 55 Ca 0.00 2.01 -0.29 0.00 -0.36 0.00 0.00 55.97 57.33 1u8f s LYS 55 Cb 0.00 -2.35 -0.11 0.00 -1.51 0.00 0.00 37.83 33.87 1u8f s LYS 55 CO 0.00 -0.86 1.45 0.12 -0.36 0.00 0.00 175.35 175.70 1u8f s PHE 56 N -1.42 2.82 -0.89 4.03 5.36 -0.08 -4.93 117.98 122.87 1u8f s PHE 56 Ca 0.67 1.13 -0.19 0.00 -0.96 0.00 0.00 56.93 57.59 1u8f s PHE 56 Cb -0.35 -3.90 0.12 0.00 -0.34 0.00 0.00 43.02 38.56 1u8f s PHE 56 CO 0.42 -2.74 1.09 -1.01 -1.46 0.00 0.00 175.22 171.52 1u8f s HIS 57 N -0.70 3.07 -5.00 10.12 3.76 -1.26 -4.85 115.29 120.43 1u8f s HIS 57 Ca 0.55 -1.29 0.00 0.00 -0.15 0.00 0.00 55.06 54.17 1u8f s HIS 57 Cb -0.44 -4.27 0.00 0.00 1.11 0.00 0.00 32.58 28.98 1u8f s HIS 57 CO 0.54 -1.50 0.00 0.41 -0.85 0.00 0.00 174.74 173.34 1u8f n GLY 58 N 5.46 0.68 3.66 -2.22 0.00 -1.26 -5.05 105.19 106.46 1u8f n GLY 58 Ca 0.20 -1.73 -0.32 0.00 0.00 0.00 0.00 46.02 44.17 1u8f n GLY 58 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1u8f s THR 59 N -2.95 3.95 -0.10 2.61 -4.23 -1.26 -4.97 115.64 108.68 1u8f s THR 59 Ca 0.00 -0.76 -0.04 0.00 -1.18 0.00 0.00 61.69 59.71 1u8f s THR 59 Cb 0.00 -2.78 0.05 0.00 1.34 0.00 0.00 72.50 71.11 1u8f s THR 59 CO 0.00 0.31 0.21 0.54 -0.54 0.00 0.00 174.62 175.14 1u8f s VAL 60 N -1.12 -0.31 0.14 2.29 0.11 -1.25 -0.86 120.40 119.41 1u8f s VAL 60 Ca 0.20 0.30 -0.12 0.00 -2.93 0.00 0.00 61.98 59.44 1u8f s VAL 60 Cb -0.11 -0.36 0.01 0.00 -1.53 0.00 0.00 36.38 34.38 1u8f s VAL 60 CO 0.11 0.13 0.33 -1.59 -3.33 0.00 0.00 175.10 170.75 1u8f s LYS 61 N 2.24 1.10 -0.25 1.54 -2.85 -0.40 -4.99 119.74 116.13 1u8f s LYS 61 Ca 0.01 -0.95 -0.10 0.00 -1.00 0.00 0.00 55.97 53.92 1u8f s LYS 61 Cb -0.12 0.42 -0.05 0.00 -2.06 0.00 0.00 37.83 36.02 1u8f s LYS 61 CO -0.07 -0.41 0.16 0.00 0.10 0.00 0.00 175.35 175.13 1u8f s ALA 62 N -3.88 3.56 -0.09 0.59 0.00 -1.26 -0.20 121.76 120.47 1u8f s ALA 62 Ca 0.09 -0.96 -0.04 0.00 0.00 0.00 0.00 51.96 51.06 1u8f s ALA 62 Cb 0.03 -2.36 0.05 0.00 0.00 0.00 0.00 23.12 20.84 1u8f s ALA 62 CO -0.06 -0.31 0.19 -2.00 0.00 0.00 0.00 175.76 173.58 1u8f s GLU 63 N 1.28 0.08 -1.41 0.00 2.12 -0.53 -4.88 118.70 115.36 1u8f s GLU 63 Ca 0.07 0.58 -0.08 0.00 0.36 0.00 0.00 54.97 55.91 1u8f s GLU 63 Cb -0.14 -0.20 0.04 0.00 0.26 0.00 0.00 34.13 34.10 1u8f s GLU 63 CO 0.06 -0.28 0.59 0.09 -0.54 0.00 0.00 175.26 175.19 1u8f n ASN 64 N 5.14 -4.85 0.00 -1.70 3.02 -1.26 -1.52 115.26 114.09 1u8f n ASN 64 Ca -0.09 -0.38 0.00 0.00 -0.03 0.00 0.00 54.58 54.08 1u8f n ASN 64 Cb 0.50 -3.95 0.00 0.00 -0.61 0.00 0.00 39.78 35.73 1u8f n ASN 64 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1u8f n GLY 65 N -1.38 0.75 3.57 7.41 0.00 -1.26 -5.03 105.19 109.25 1u8f n GLY 65 Ca -0.05 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.69 1u8f n GLY 65 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1u8f s LYS 66 N -0.08 2.09 -0.36 1.61 -0.14 -0.57 -4.45 119.74 117.84 1u8f s LYS 66 Ca 0.00 -1.13 -0.19 0.00 -1.36 0.00 0.00 55.97 53.29 1u8f s LYS 66 Cb 0.00 -2.24 0.00 0.00 -1.68 0.00 0.00 37.83 33.91 1u8f s LYS 66 CO 0.00 0.48 0.57 -1.17 -0.76 0.00 0.00 175.35 174.47 1u8f s LEU 67 N -2.46 4.31 -0.33 3.17 2.96 -0.58 -1.45 118.68 124.31 1u8f s LEU 67 Ca 0.23 0.04 -0.09 0.00 -0.22 0.00 0.00 54.13 54.08 1u8f s LEU 67 Cb -0.10 -2.68 0.01 0.00 0.50 0.00 0.00 46.19 43.92 1u8f s LEU 67 CO 0.14 -0.54 0.15 -0.69 -1.32 0.00 0.00 176.35 174.08 1u8f s VAL 68 N 2.55 4.36 -0.22 1.68 1.01 0.72 -0.34 120.40 130.16 1u8f s VAL 68 Ca 0.21 -0.69 -0.04 0.00 0.00 0.00 0.00 61.98 61.47 1u8f s VAL 68 Cb -0.15 -3.32 -0.01 0.00 0.00 0.00 0.00 36.38 32.91 1u8f s VAL 68 CO 0.14 -0.05 -0.04 -0.63 0.00 0.00 0.00 175.10 174.53 1u8f s ILE 69 N 1.55 3.38 -1.55 2.22 1.01 -0.74 -1.28 121.20 125.80 1u8f s ILE 69 Ca 0.03 -0.51 -0.15 0.00 0.00 0.00 0.00 60.65 60.02 1u8f s ILE 69 Cb -0.18 -2.55 0.11 0.00 0.01 0.00 0.00 42.46 39.85 1u8f s ILE 69 CO 0.05 0.41 0.81 0.59 0.00 0.00 0.00 174.94 176.79 1u8f n ASN 70 N 4.80 -4.11 0.00 3.58 3.02 -0.04 -0.74 115.26 121.77 1u8f n ASN 70 Ca -0.18 -0.77 0.00 0.00 -0.03 0.00 0.00 54.58 53.60 1u8f n ASN 70 Cb 0.51 -3.33 0.00 0.00 -0.61 0.00 0.00 39.78 36.35 1u8f n ASN 70 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1u8f n GLY 71 N -1.47 0.99 3.52 7.41 0.00 -1.26 -5.02 105.19 109.36 1u8f n GLY 71 Ca 0.04 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.65 1u8f n GLY 71 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1u8f s ASN 72 N -3.03 6.20 0.07 1.61 0.01 0.08 -5.05 114.94 114.82 1u8f s ASN 72 Ca 0.00 -0.41 -0.31 0.00 -0.71 0.00 0.00 52.86 51.43 1u8f s ASN 72 Cb 0.00 -2.22 -0.06 0.00 0.41 0.00 0.00 41.25 39.38 1u8f s ASN 72 CO 0.00 -0.47 1.23 -2.16 -1.51 0.00 0.00 177.10 174.20 1u8f s PRO 73 N 2.12 4.41 -0.15 -0.60 0.04 -1.26 -1.79 135.00 137.77 1u8f s PRO 73 Ca 0.13 1.83 0.02 0.00 0.04 0.00 0.00 61.00 63.01 1u8f s PRO 73 Cb -0.17 -3.33 0.01 0.00 0.04 0.00 0.00 34.50 31.05 1u8f s PRO 73 CO 0.13 -0.29 -0.19 0.42 0.04 0.00 0.00 177.00 177.10 1u8f s ILE 74 N 1.08 2.30 0.09 0.56 1.01 0.54 -4.83 121.20 121.95 1u8f s ILE 74 Ca 0.60 -0.90 -0.30 0.00 0.00 0.00 0.00 60.65 60.04 1u8f s ILE 74 Cb -0.31 -1.94 -0.06 0.00 0.01 0.00 0.00 42.46 40.16 1u8f s ILE 74 CO 0.29 0.54 1.20 -0.89 0.00 0.00 0.00 174.94 176.08 1u8f s THR 75 N 0.81 3.90 -0.15 2.92 2.01 -0.23 -1.52 115.64 123.38 1u8f s THR 75 Ca -0.06 1.42 -0.04 0.00 0.31 0.00 0.00 61.69 63.32 1u8f s THR 75 Cb -0.15 -3.91 -0.03 0.00 0.01 0.00 0.00 72.50 68.42 1u8f s THR 75 CO -0.01 0.14 -0.03 -0.63 -0.69 0.00 0.00 174.62 173.40 1u8f s ILE 76 N 0.77 3.95 0.23 1.82 -1.09 -1.26 -1.06 121.20 124.56 1u8f s ILE 76 Ca 0.57 -0.34 0.10 0.00 -2.23 0.00 0.00 60.65 58.76 1u8f s ILE 76 Cb -0.30 -2.73 -0.04 0.00 -1.58 0.00 0.00 42.46 37.80 1u8f s ILE 76 CO 0.31 0.50 -0.14 -0.36 -1.23 0.00 0.00 174.94 174.02 1u8f s PHE 77 N 0.28 2.48 -0.40 3.97 0.08 0.71 -4.98 117.98 120.13 1u8f s PHE 77 Ca -0.03 -0.28 0.12 0.00 0.12 0.00 0.00 56.93 56.86 1u8f s PHE 77 Cb -0.14 -1.16 0.37 0.00 -0.57 0.00 0.00 43.02 41.52 1u8f s PHE 77 CO 0.03 0.59 0.82 1.04 -0.10 0.00 0.00 175.22 177.60 1u8f n GLN 78 N -0.28 1.47 -4.11 0.44 1.13 -1.26 -1.74 117.38 113.04 1u8f n GLN 78 Ca -0.09 -3.64 -0.34 0.00 -1.94 0.00 0.00 57.00 50.99 1u8f n GLN 78 Cb 0.57 -1.73 -0.10 0.00 0.11 0.00 0.00 30.24 29.09 1u8f n GLN 78 CO 0.00 0.00 0.00 -1.21 -1.44 0.00 0.00 177.06 174.41 1u8f s GLU 79 N -2.77 3.86 0.13 -1.09 0.41 -1.26 -4.59 118.70 113.39 1u8f s GLU 79 Ca 0.39 -0.38 0.09 0.00 -0.41 0.00 0.00 54.97 54.67 1u8f s GLU 79 Cb 0.36 -3.13 -0.16 0.00 -1.78 0.00 0.00 34.13 29.42 1u8f s GLU 79 CO -0.07 0.30 1.23 0.00 -0.49 0.00 0.00 175.26 176.22 1u8f h ARG 80 N 6.59 0.00 -4.61 1.61 3.08 -1.98 -3.40 114.38 115.67 1u8f h ARG 80 Ca -0.37 0.00 -0.70 0.00 0.07 0.00 0.00 59.98 58.99 1u8f h ARG 80 Cb 1.17 0.00 -0.20 0.00 0.08 0.00 0.00 29.97 31.02 1u8f h ARG 80 CO 0.68 0.83 -0.46 0.34 -1.07 0.00 0.00 179.97 180.29 1u8f s ASP 81 N -6.56 6.05 0.31 7.04 2.15 -1.26 -4.98 116.67 119.42 1u8f s ASP 81 Ca 0.01 -0.67 0.08 0.00 0.43 0.00 0.00 52.55 52.40 1u8f s ASP 81 Cb 0.09 -2.14 0.86 0.00 -0.30 0.00 0.00 42.92 41.44 1u8f s ASP 81 CO 0.81 -0.34 1.70 -0.65 -0.17 0.00 0.00 175.17 176.52 1u8f h PRO 82 N 8.55 0.45 0.00 4.34 0.11 -1.92 -0.19 132.00 143.34 1u8f h PRO 82 Ca -0.29 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.79 1u8f h PRO 82 Cb 1.14 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.15 1u8f h PRO 82 CO 0.68 0.30 0.00 -1.13 -0.21 0.00 0.00 178.00 177.64 1u8f n SER 83 N -4.98 0.21 -0.46 -2.05 3.41 -1.25 -2.29 113.62 106.21 1u8f n SER 83 Ca 0.26 0.57 0.11 0.00 -0.26 0.00 0.00 58.87 59.55 1u8f n SER 83 Cb 0.75 -0.61 0.07 0.00 -0.26 0.00 0.00 64.21 64.16 1u8f n SER 83 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1u8f n LYS 84 N -1.75 1.16 -2.55 4.33 4.76 -0.08 -4.34 118.16 119.68 1u8f n LYS 84 Ca 0.01 -0.93 -0.43 0.00 -2.87 0.00 0.00 58.31 54.10 1u8f n LYS 84 Cb 0.11 -1.48 -0.02 0.00 -1.84 0.00 0.00 35.03 31.80 1u8f n LYS 84 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 1u8f s ILE 85 N -2.47 4.48 -1.54 -0.18 1.01 -0.97 -4.94 121.20 116.60 1u8f s ILE 85 Ca 0.20 1.78 -0.10 0.00 0.00 0.00 0.00 60.65 62.53 1u8f s ILE 85 Cb 0.18 -4.15 -0.02 0.00 0.01 0.00 0.00 42.46 38.48 1u8f s ILE 85 CO 0.56 -0.05 2.68 0.29 0.00 0.00 0.00 174.94 178.42 1u8f n LYS 86 N 5.51 3.64 -0.22 2.79 4.01 -1.26 -4.26 118.16 128.37 1u8f n LYS 86 Ca 0.11 -2.52 -0.03 0.00 -0.51 0.00 0.00 58.31 55.36 1u8f n LYS 86 Cb 0.47 -2.89 0.07 0.00 -0.51 0.00 0.00 35.03 32.17 1u8f n LYS 86 CO 0.00 0.00 0.00 -1.49 -1.11 0.00 0.00 177.40 174.80 1u8f h TRP 87 N 5.20 0.70 -0.58 2.13 4.06 -1.82 -2.84 115.95 122.80 1u8f h TRP 87 Ca 0.77 0.02 0.01 0.00 2.06 0.00 0.00 58.89 61.75 1u8f h TRP 87 Cb 0.38 -0.22 -0.03 0.00 -1.00 0.00 0.00 29.16 28.29 1u8f h TRP 87 CO 1.73 0.37 0.37 0.78 -3.56 0.00 0.00 178.44 178.14 1u8f h GLY 88 N 0.72 0.81 1.48 1.49 0.00 -1.24 -1.18 103.07 105.15 1u8f h GLY 88 Ca 0.27 -0.29 0.01 0.00 0.00 0.00 0.00 47.33 47.32 1u8f h GLY 88 CO -0.13 0.28 0.33 -0.55 0.00 0.00 0.00 176.54 176.46 1u8f h ASP 89 N 0.76 0.55 0.15 0.19 3.45 -1.73 -1.67 116.42 118.11 1u8f h ASP 89 Ca 0.22 -0.01 0.00 0.00 0.43 0.00 0.00 57.03 57.66 1u8f h ASP 89 Cb -0.06 -0.13 0.00 0.00 -0.56 0.00 0.00 39.33 38.57 1u8f h ASP 89 CO -0.06 0.39 -0.07 0.00 -1.57 0.00 0.00 179.24 177.93 1u8f n ALA 90 N -2.47 2.73 -0.77 3.45 0.00 -0.83 -4.94 120.51 117.68 1u8f n ALA 90 Ca 0.05 -0.34 0.00 0.00 0.00 0.00 0.00 53.44 53.15 1u8f n ALA 90 Cb 0.08 -1.28 0.00 0.00 0.00 0.00 0.00 19.45 18.25 1u8f n ALA 90 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1u8f n GLY 91 N 1.20 0.69 3.60 0.00 0.00 -0.63 -4.82 105.19 105.23 1u8f n GLY 91 Ca 0.17 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.77 1u8f n GLY 91 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1u8f s ALA 92 N -2.43 3.00 -0.10 4.61 0.00 -0.52 -4.64 121.76 121.67 1u8f s ALA 92 Ca 0.00 -0.23 -0.23 0.00 0.00 0.00 0.00 51.96 51.50 1u8f s ALA 92 Cb 0.00 -3.97 -0.28 0.00 0.00 0.00 0.00 23.12 18.88 1u8f s ALA 92 CO 0.00 -2.49 0.73 0.93 0.00 0.00 0.00 175.76 174.94 1u8f h GLU 93 N 10.82 0.16 -6.19 0.00 5.08 -1.40 -3.39 114.58 119.66 1u8f h GLU 93 Ca -0.27 -0.27 -0.67 0.00 -1.00 0.00 0.00 59.36 57.15 1u8f h GLU 93 Cb 1.10 0.10 -0.15 0.00 0.50 0.00 0.00 28.75 30.30 1u8f h GLU 93 CO 1.10 1.13 -0.66 0.71 -1.00 0.00 0.00 179.01 180.28 1u8f s TYR 94 N -2.35 3.02 -0.09 4.33 2.02 -0.95 -0.11 117.35 123.22 1u8f s TYR 94 Ca -0.18 0.05 0.03 0.00 -0.37 0.00 0.00 57.07 56.59 1u8f s TYR 94 Cb 0.00 -1.65 0.01 0.00 -0.40 0.00 0.00 41.96 39.92 1u8f s TYR 94 CO 0.75 0.43 -0.17 0.08 -1.57 0.00 0.00 175.55 175.07 1u8f s VAL 95 N -1.05 1.55 -0.37 0.71 1.01 -0.29 0.03 120.40 121.99 1u8f s VAL 95 Ca 0.18 -0.71 -0.18 0.00 0.00 0.00 0.00 61.98 61.27 1u8f s VAL 95 Cb -0.11 -1.37 0.00 0.00 0.00 0.00 0.00 36.38 34.89 1u8f s VAL 95 CO 0.09 0.45 0.49 -0.69 0.00 0.00 0.00 175.10 175.44 1u8f s VAL 96 N 0.59 5.03 -0.63 2.92 1.01 0.41 -0.33 120.40 129.40 1u8f s VAL 96 Ca -0.15 0.16 -0.21 0.00 0.00 0.00 0.00 61.98 61.78 1u8f s VAL 96 Cb -0.17 -3.98 0.08 0.00 0.00 0.00 0.00 36.38 32.32 1u8f s VAL 96 CO 0.05 -0.27 0.86 -0.70 0.00 0.00 0.00 175.10 175.04 1u8f s GLU 97 N 2.34 3.08 -0.17 2.72 2.56 -0.12 -0.72 118.70 128.40 1u8f s GLU 97 Ca 0.17 -1.03 0.15 0.00 0.00 0.00 0.00 54.97 54.26 1u8f s GLU 97 Cb -0.16 -4.24 0.36 0.00 2.00 0.00 0.00 34.13 32.09 1u8f s GLU 97 CO 0.14 -1.71 1.18 -1.13 -0.56 0.00 0.00 175.26 173.19 1u8f n SER 98 N 7.15 1.93 0.11 -1.70 3.41 -0.54 -1.58 113.62 122.41 1u8f n SER 98 Ca -0.06 -3.46 0.05 0.00 -0.26 0.00 0.00 58.87 55.13 1u8f n SER 98 Cb 0.44 -0.47 0.01 0.00 -0.26 0.00 0.00 64.21 63.93 1u8f n SER 98 CO 0.00 0.00 0.00 0.71 -0.16 0.00 0.00 175.04 175.59 1u8f h THR 99 N 0.87 0.49 0.00 6.66 1.35 -1.87 -3.44 112.91 116.96 1u8f h THR 99 Ca -0.01 -1.77 0.00 0.00 -0.55 0.00 0.00 66.41 64.08 1u8f h THR 99 Cb 1.03 2.10 0.00 0.00 -1.73 0.00 0.00 68.15 69.55 1u8f h THR 99 CO 0.00 0.28 0.00 0.61 -0.25 0.00 0.00 175.52 176.16 1u8f n GLY 100 N 1.25 1.03 0.30 5.82 0.00 -1.26 -4.87 105.19 107.45 1u8f n GLY 100 Ca -0.01 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.04 1u8f n GLY 100 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1u8f n VAL 101 N -2.00 0.59 -3.12 1.61 0.24 -1.26 -4.67 118.33 109.72 1u8f n VAL 101 Ca 0.00 -0.79 -0.20 0.00 -2.04 0.00 0.00 64.34 61.31 1u8f n VAL 101 Cb 0.00 0.76 -0.03 0.00 -1.47 0.00 0.00 33.84 33.10 1u8f n VAL 101 CO 0.00 0.00 0.00 0.49 -2.14 0.00 0.00 176.83 175.18 1u8f n PHE 102 N 0.16 1.09 1.10 6.34 3.72 -1.26 -4.93 117.46 123.68 1u8f n PHE 102 Ca 0.05 -3.84 0.12 0.00 -0.05 0.00 0.00 57.45 53.73 1u8f n PHE 102 Cb 0.26 -0.43 0.23 0.00 -0.94 0.00 0.00 39.48 38.60 1u8f n PHE 102 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 176.76 176.96 1u8f n THR 103 N 0.15 0.00 -3.20 4.37 -2.24 -1.26 -3.61 114.28 108.49 1u8f n THR 103 Ca 0.26 -0.08 -0.27 0.00 -2.27 0.00 0.00 64.05 61.70 1u8f n THR 103 Cb 0.60 0.50 -0.02 0.00 -2.10 0.00 0.00 70.33 69.31 1u8f n THR 103 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 1u8f s THR 104 N -2.75 5.02 0.22 4.28 -4.23 -1.26 -4.31 115.64 112.61 1u8f s THR 104 Ca 0.17 -0.07 -0.08 0.00 -1.18 0.00 0.00 61.69 60.52 1u8f s THR 104 Cb 0.18 -3.80 0.16 0.00 1.34 0.00 0.00 72.50 70.38 1u8f s THR 104 CO 0.64 -0.51 1.74 0.24 -0.54 0.00 0.00 174.62 176.18 1u8f h MET 105 N 1.07 0.41 -0.40 3.99 2.86 -1.92 0.17 114.93 121.11 1u8f h MET 105 Ca -0.48 -0.02 -0.01 0.00 -2.06 0.00 0.00 59.70 57.12 1u8f h MET 105 Cb 1.20 -0.09 -0.02 0.00 0.06 0.00 0.00 31.60 32.75 1u8f h MET 105 CO 0.64 0.27 0.20 1.49 1.06 0.00 0.00 176.91 180.57 1u8f h GLU 106 N 0.42 0.57 -0.09 1.72 4.81 -1.97 -0.15 114.58 119.88 1u8f h GLU 106 Ca 0.33 -0.08 -0.13 0.00 -0.13 0.00 0.00 59.36 59.36 1u8f h GLU 106 Cb 0.43 -0.10 0.01 0.00 0.63 0.00 0.00 28.75 29.71 1u8f h GLU 106 CO -0.33 0.49 -0.44 0.87 -0.73 0.00 0.00 179.01 178.87 1u8f h LYS 107 N 0.51 0.46 0.00 1.92 1.57 -1.77 -3.23 116.57 116.03 1u8f h LYS 107 Ca 0.14 -0.37 -0.07 0.00 -1.87 0.00 0.00 60.65 58.48 1u8f h LYS 107 Cb 0.10 0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.48 1u8f h LYS 107 CO -0.02 1.00 -0.32 0.00 -0.57 0.00 0.00 179.45 179.54 1u8f h ALA 108 N 0.46 1.24 0.00 3.86 0.00 -0.68 -2.79 119.26 121.35 1u8f h ALA 108 Ca -0.03 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.59 1u8f h ALA 108 Cb 1.08 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.82 1u8f h ALA 108 CO 0.09 0.40 0.00 0.41 0.00 0.00 0.00 179.25 180.15 1u8f n GLY 109 N -0.30 -1.07 0.33 0.00 0.00 -0.07 -2.73 105.19 101.35 1u8f n GLY 109 Ca -0.01 0.10 0.15 0.00 0.00 0.00 0.00 46.02 46.25 1u8f n GLY 109 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1u8f h ALA 110 N 2.19 2.15 0.00 4.61 0.00 -1.60 -0.09 119.26 126.53 1u8f h ALA 110 Ca 0.00 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 1u8f h ALA 110 Cb 0.22 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.03 1u8f h ALA 110 CO 0.00 -0.32 -0.08 0.45 0.00 0.00 0.00 179.25 179.29 1u8f h HIS 111 N 0.00 0.00 0.00 0.00 3.86 -1.72 -2.11 115.15 115.19 1u8f h HIS 111 Ca 0.12 0.00 -0.09 0.00 -1.16 0.00 0.00 60.37 59.24 1u8f h HIS 111 Cb 0.51 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.97 1u8f h HIS 111 CO 0.00 0.08 -0.45 -0.07 0.86 0.00 0.00 177.93 178.36 1u8f h LEU 112 N 0.00 0.00 -1.61 2.43 3.38 -1.22 -2.56 115.31 115.74 1u8f h LEU 112 Ca -0.00 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 1u8f h LEU 112 Cb 0.37 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.12 1u8f h LEU 112 CO 0.01 0.45 -0.08 1.56 0.09 0.00 0.00 178.44 180.46 1u8f h GLN 113 N 0.00 0.00 -0.10 1.13 4.20 -1.47 -2.49 115.11 116.38 1u8f h GLN 113 Ca -0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1u8f h GLN 113 Cb 0.93 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.71 1u8f h GLN 113 CO 0.06 0.08 0.00 0.41 -0.67 0.00 0.00 178.83 178.71 1u8f n GLY 114 N -0.18 0.41 0.00 3.46 0.00 -0.98 -4.93 105.19 102.97 1u8f n GLY 114 Ca -0.00 -0.51 0.00 0.00 0.00 0.00 0.00 46.02 45.51 1u8f n GLY 114 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1u8f n GLY 115 N 1.22 1.29 3.75 -0.02 0.00 -0.94 -0.95 105.19 109.53 1u8f n GLY 115 Ca 0.17 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.83 1u8f n GLY 115 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1u8f s ALA 116 N -2.09 2.54 -0.17 4.61 0.00 -1.08 -4.35 121.76 121.22 1u8f s ALA 116 Ca 0.00 1.12 0.00 0.00 0.00 0.00 0.00 51.96 53.09 1u8f s ALA 116 Cb 0.00 -3.50 -0.23 0.00 0.00 0.00 0.00 23.12 19.39 1u8f s ALA 116 CO 0.00 -1.32 0.17 1.63 0.00 0.00 0.00 175.76 176.24 1u8f n LYS 117 N -1.57 0.70 -3.93 0.00 4.76 0.84 -4.46 118.16 114.50 1u8f n LYS 117 Ca 0.14 0.21 -0.10 0.00 -2.87 0.00 0.00 58.31 55.69 1u8f n LYS 117 Cb 0.48 -1.64 -0.10 0.00 -1.84 0.00 0.00 35.03 31.94 1u8f n LYS 117 CO 0.00 0.00 0.00 1.03 -1.37 0.00 0.00 177.40 177.06 1u8f s ARG 118 N -2.54 0.50 -0.04 1.97 0.52 -1.03 -4.83 118.95 113.49 1u8f s ARG 118 Ca -0.24 -0.65 0.05 0.00 -0.52 0.00 0.00 55.73 54.36 1u8f s ARG 118 Cb 0.08 0.20 -0.01 0.00 0.52 0.00 0.00 34.95 35.73 1u8f s ARG 118 CO 0.72 -0.12 -0.18 0.08 0.02 0.00 0.00 175.30 175.82 1u8f s VAL 119 N -2.09 1.51 -0.27 3.52 1.01 0.13 -1.14 120.40 123.06 1u8f s VAL 119 Ca -0.09 -0.76 0.01 0.00 0.00 0.00 0.00 61.98 61.13 1u8f s VAL 119 Cb -0.04 -1.29 0.05 0.00 0.00 0.00 0.00 36.38 35.10 1u8f s VAL 119 CO -0.02 0.43 -0.07 -0.63 0.00 0.00 0.00 175.10 174.81 1u8f s ILE 120 N -0.04 2.49 -0.24 2.22 1.09 0.56 -1.39 121.20 125.90 1u8f s ILE 120 Ca -0.03 -1.50 -0.28 0.00 -1.10 0.00 0.00 60.65 57.75 1u8f s ILE 120 Cb -0.11 -2.43 0.01 0.00 -1.06 0.00 0.00 42.46 38.86 1u8f s ILE 120 CO 0.02 -0.03 1.00 -0.63 -0.10 0.00 0.00 174.94 175.20 1u8f s ILE 121 N 1.17 4.70 -0.21 2.92 1.01 0.67 -0.94 121.20 130.53 1u8f s ILE 121 Ca -0.07 1.92 -0.04 0.00 0.00 0.00 0.00 60.65 62.46 1u8f s ILE 121 Cb -0.20 -4.28 -0.07 0.00 0.01 0.00 0.00 42.46 37.92 1u8f s ILE 121 CO -0.04 -0.18 2.99 -1.54 0.00 0.00 0.00 174.94 176.17 1u8f n SER 122 N 6.30 5.84 -3.62 3.58 3.41 -0.61 -1.58 113.62 126.94 1u8f n SER 122 Ca 0.11 -2.81 -0.03 0.00 -0.26 0.00 0.00 58.87 55.88 1u8f n SER 122 Cb 0.46 -1.29 -0.01 0.00 -0.26 0.00 0.00 64.21 63.11 1u8f n SER 122 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1u8f s ALA 123 N -0.41 -2.01 0.70 7.33 0.00 -1.19 -4.95 121.76 121.24 1u8f s ALA 123 Ca 0.54 0.90 -0.16 0.00 0.00 0.00 0.00 51.96 53.24 1u8f s ALA 123 Cb 0.31 0.28 0.02 0.00 0.00 0.00 0.00 23.12 23.73 1u8f s ALA 123 CO -0.09 -0.86 1.25 -2.14 0.00 0.00 0.00 175.76 173.92 1u8f s PRO 124 N -2.70 2.26 0.00 0.00 0.02 -1.19 -4.08 135.00 129.30 1u8f s PRO 124 Ca 0.11 1.90 0.04 0.00 0.02 0.00 0.00 61.00 63.07 1u8f s PRO 124 Cb 0.01 -1.83 -0.01 0.00 0.02 0.00 0.00 34.50 32.69 1u8f s PRO 124 CO -0.04 -1.78 -0.13 0.45 -0.33 0.00 0.00 177.00 175.17 1u8f s SER 125 N -1.74 1.56 0.41 2.53 0.15 -1.26 -4.90 113.70 110.44 1u8f s SER 125 Ca 0.78 -0.28 0.18 0.00 0.70 0.00 0.00 55.95 57.33 1u8f s SER 125 Cb -0.33 -0.16 0.91 0.00 -1.71 0.00 0.00 66.02 64.73 1u8f s SER 125 CO 0.43 0.13 1.87 0.00 1.20 0.00 0.00 173.24 176.88 1u8f h ALA 126 N 5.63 1.26 0.00 5.45 0.00 -1.96 -3.38 119.26 126.25 1u8f h ALA 126 Ca -0.34 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.29 1u8f h ALA 126 Cb 1.17 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.91 1u8f h ALA 126 CO 0.48 0.37 -0.26 -0.40 0.00 0.00 0.00 179.25 179.44 1u8f n ASP 127 N -3.83 1.30 -4.76 0.00 5.75 -1.26 -5.08 116.55 108.67 1u8f n ASP 127 Ca -0.01 0.00 -0.41 0.00 -0.01 0.00 0.00 54.79 54.36 1u8f n ASP 127 Cb 0.38 0.24 -0.03 0.00 -1.03 0.00 0.00 41.12 40.68 1u8f n ASP 127 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1u8f s ALA 128 N -0.65 3.45 0.14 2.12 0.00 -1.26 -4.94 121.76 120.62 1u8f s ALA 128 Ca 0.00 1.03 -0.34 0.00 0.00 0.00 0.00 51.96 52.66 1u8f s ALA 128 Cb 0.00 -3.40 -0.14 0.00 0.00 0.00 0.00 23.12 19.58 1u8f s ALA 128 CO 0.00 -0.37 1.59 -2.30 0.00 0.00 0.00 175.76 174.69 1u8f n PRO 129 N 1.37 2.14 -3.97 0.00 -0.02 -1.26 -4.54 135.00 128.72 1u8f n PRO 129 Ca 0.01 0.77 -0.36 0.00 -2.02 0.00 0.00 63.50 61.89 1u8f n PRO 129 Cb 0.44 -2.54 -0.06 0.00 -0.02 0.00 0.00 33.50 31.31 1u8f n PRO 129 CO 0.00 0.00 0.00 -1.64 1.98 0.00 0.00 175.50 175.84 1u8f s MET 130 N 1.13 3.36 0.07 -0.52 -1.94 -1.26 0.01 119.30 120.14 1u8f s MET 130 Ca 0.80 -0.20 0.05 0.00 -1.71 0.00 0.00 55.69 54.63 1u8f s MET 130 Cb -0.68 -3.11 -0.03 0.00 2.01 0.00 0.00 34.83 33.02 1u8f s MET 130 CO 0.39 0.76 -0.14 -0.06 -0.01 0.00 0.00 175.02 175.96 1u8f s PHE 131 N -1.03 1.19 -0.10 -0.03 0.08 0.73 -4.78 117.98 114.04 1u8f s PHE 131 Ca 0.16 -0.45 -0.01 0.00 0.12 0.00 0.00 56.93 56.74 1u8f s PHE 131 Cb -0.12 -0.68 0.03 0.00 -0.57 0.00 0.00 43.02 41.69 1u8f s PHE 131 CO 0.05 0.05 -0.00 0.08 -0.10 0.00 0.00 175.22 175.30 1u8f s VAL 132 N -1.25 0.48 0.20 -0.44 1.01 -1.26 -4.02 120.40 115.13 1u8f s VAL 132 Ca -0.02 -0.04 -0.33 0.00 0.00 0.00 0.00 61.98 61.59 1u8f s VAL 132 Cb -0.10 -0.68 -0.13 0.00 0.00 0.00 0.00 36.38 35.47 1u8f s VAL 132 CO 0.02 0.20 1.55 0.23 0.00 0.00 0.00 175.10 177.10 1u8f n MET 133 N 5.11 2.26 0.00 2.72 2.81 -1.26 -1.38 117.12 127.37 1u8f n MET 133 Ca -0.08 0.81 0.00 0.00 -1.81 0.00 0.00 57.70 56.62 1u8f n MET 133 Cb 0.50 -2.56 0.00 0.00 -0.71 0.00 0.00 33.22 30.44 1u8f n MET 133 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1u8f n GLY 134 N 3.02 1.77 0.72 3.03 0.00 -1.26 -4.84 105.19 107.64 1u8f n GLY 134 Ca 0.15 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.12 1u8f n GLY 134 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1u8f n VAL 135 N -2.00 1.12 -2.04 1.61 0.31 -0.48 -4.94 118.33 111.91 1u8f n VAL 135 Ca 0.00 0.20 0.00 0.00 -0.01 0.00 0.00 64.34 64.53 1u8f n VAL 135 Cb 0.00 -1.79 0.00 0.00 -0.91 0.00 0.00 33.84 31.14 1u8f n VAL 135 CO 0.00 0.00 0.00 -0.46 -1.32 0.00 0.00 176.83 175.05 1u8f n ASN 136 N -3.72 0.06 0.29 4.52 6.94 -0.92 -4.87 115.26 117.57 1u8f n ASN 136 Ca -0.08 -1.90 0.17 0.00 -0.02 0.00 0.00 54.58 52.74 1u8f n ASN 136 Cb 0.29 -0.18 0.84 0.00 -2.36 0.00 0.00 39.78 38.37 1u8f n ASN 136 CO 0.00 0.00 0.00 1.12 -1.03 0.00 0.00 177.26 177.35 1u8f h HIS 137 N 0.07 0.00 0.00 -2.53 2.07 -1.91 -1.18 115.15 111.67 1u8f h HIS 137 Ca -0.02 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.50 1u8f h HIS 137 Cb 1.40 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.38 1u8f h HIS 137 CO 0.06 0.05 0.00 0.39 -3.07 0.00 0.00 177.93 175.37 1u8f n GLU 138 N -3.30 0.16 0.00 5.12 -0.58 -1.26 -2.20 120.64 118.58 1u8f n GLU 138 Ca -0.01 0.35 0.13 0.00 -0.42 0.00 0.00 57.16 57.21 1u8f n GLU 138 Cb 0.22 -1.78 0.58 0.00 -0.57 0.00 0.00 31.44 29.89 1u8f n GLU 138 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 1u8f n LYS 139 N -2.08 0.00 -2.12 3.49 4.76 -0.44 -4.83 118.16 116.94 1u8f n LYS 139 Ca 0.03 0.03 -0.37 0.00 -2.87 0.00 0.00 58.31 55.13 1u8f n LYS 139 Cb 0.25 -1.50 0.01 0.00 -1.84 0.00 0.00 35.03 31.94 1u8f n LYS 139 CO 0.00 0.00 0.00 -0.47 -1.37 0.00 0.00 177.40 175.56 1u8f s TYR 140 N -3.00 2.68 0.05 2.13 5.04 -0.93 -5.04 117.35 118.28 1u8f s TYR 140 Ca 0.13 1.50 -0.06 0.00 -2.44 0.00 0.00 57.07 56.20 1u8f s TYR 140 Cb 0.18 -3.48 -0.01 0.00 0.35 0.00 0.00 41.96 38.99 1u8f s TYR 140 CO 0.50 -1.90 0.10 0.16 -1.34 0.00 0.00 175.55 173.06 1u8f s ASP 141 N -1.30 0.21 0.50 4.32 1.47 -1.26 -5.05 116.67 115.56 1u8f s ASP 141 Ca 0.67 -0.64 0.23 0.00 1.18 0.00 0.00 52.55 53.99 1u8f s ASP 141 Cb -0.31 0.25 1.23 0.00 -0.34 0.00 0.00 42.92 43.74 1u8f s ASP 141 CO 0.37 -0.58 1.65 0.78 0.68 0.00 0.00 175.17 178.07 1u8f h ASN 142 N 3.35 0.00 1.33 2.11 -0.26 -1.96 -1.86 115.58 118.28 1u8f h ASN 142 Ca -0.33 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.41 1u8f h ASN 142 Cb 1.18 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 38.44 1u8f h ASN 142 CO 0.54 0.00 0.00 -1.54 -1.06 0.00 0.00 177.43 175.37 1u8f n SER 143 N -2.50 0.73 -4.58 5.81 3.41 -1.26 -4.70 113.62 110.52 1u8f n SER 143 Ca -0.02 0.58 -0.43 0.00 -0.26 0.00 0.00 58.87 58.75 1u8f n SER 143 Cb 0.33 -0.77 -0.04 0.00 -0.26 0.00 0.00 64.21 63.46 1u8f n SER 143 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1u8f s LEU 144 N -4.40 4.02 0.01 1.04 1.43 -0.70 -4.88 118.68 115.19 1u8f s LEU 144 Ca 0.10 0.34 0.22 0.00 -1.03 0.00 0.00 54.13 53.76 1u8f s LEU 144 Cb 0.12 -3.20 -0.29 0.00 0.03 0.00 0.00 46.19 42.86 1u8f s LEU 144 CO 0.56 -0.93 0.57 0.29 0.23 0.00 0.00 176.35 177.07 1u8f n LYS 145 N 6.90 0.65 -3.82 1.70 5.02 -1.26 -4.84 118.16 122.51 1u8f n LYS 145 Ca 0.06 -0.15 -0.27 0.00 -2.02 0.00 0.00 58.31 55.93 1u8f n LYS 145 Cb 0.48 -1.57 -0.17 0.00 -0.02 0.00 0.00 35.03 33.76 1u8f n LYS 145 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1u8f s ILE 146 N -3.49 0.78 0.24 -0.18 1.01 -1.26 0.17 121.20 118.46 1u8f s ILE 146 Ca -0.07 -0.47 0.01 0.00 0.00 0.00 0.00 60.65 60.13 1u8f s ILE 146 Cb 0.13 -1.06 -0.05 0.00 0.01 0.00 0.00 42.46 41.49 1u8f s ILE 146 CO 0.89 0.04 0.07 0.27 0.00 0.00 0.00 174.94 176.21 1u8f s ILE 147 N 1.77 0.61 0.06 2.92 -4.36 -0.48 -4.24 121.20 117.49 1u8f s ILE 147 Ca 0.01 -2.00 0.08 0.00 -0.26 0.00 0.00 60.65 58.48 1u8f s ILE 147 Cb -0.15 -2.53 -0.03 0.00 1.25 0.00 0.00 42.46 41.00 1u8f s ILE 147 CO -0.07 -0.11 -0.23 -0.55 0.24 0.00 0.00 174.94 174.22 1u8f s SER 148 N -3.29 2.77 -0.20 4.36 0.15 0.10 -0.23 113.70 117.36 1u8f s SER 148 Ca 0.35 -0.60 0.15 0.00 0.70 0.00 0.00 55.95 56.56 1u8f s SER 148 Cb 0.07 -0.22 0.75 0.00 -1.71 0.00 0.00 66.02 64.91 1u8f s SER 148 CO 0.12 0.17 1.67 -3.20 1.20 0.00 0.00 173.24 173.19 1u8f n ASN 149 N 1.58 5.20 0.00 5.45 5.15 -0.61 -0.20 115.26 131.83 1u8f n ASN 149 Ca -0.18 -2.82 0.00 0.00 -0.60 0.00 0.00 54.58 50.98 1u8f n ASN 149 Cb 0.53 -0.63 0.00 0.00 -0.53 0.00 0.00 39.78 39.15 1u8f n ASN 149 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1u8f n ALA 150 N 0.56 0.00 -2.52 5.20 0.00 -1.26 -4.77 120.51 117.72 1u8f n ALA 150 Ca 0.26 0.00 -0.26 0.00 0.00 0.00 0.00 53.44 53.45 1u8f n ALA 150 Cb 1.07 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 20.43 1u8f n ALA 150 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1u8f s SER 151 N -4.00 4.16 0.17 0.00 1.04 -1.26 -3.14 113.70 110.67 1u8f s SER 151 Ca 0.00 -1.13 -0.14 0.00 0.48 0.00 0.00 55.95 55.15 1u8f s SER 151 Cb 0.00 -0.47 0.07 0.00 0.10 0.00 0.00 66.02 65.72 1u8f s SER 151 CO 0.00 -0.39 1.83 0.00 0.98 0.00 0.00 173.24 175.65 1u8f h THR 153 N 0.65 1.22 -0.38 0.00 2.02 -1.96 -1.61 112.91 112.86 1u8f h THR 153 Ca 0.19 -0.59 -0.08 0.00 0.77 0.00 0.00 66.41 66.70 1u8f h THR 153 Cb -0.04 0.36 -0.02 0.00 -1.74 0.00 0.00 68.15 66.72 1u8f h THR 153 CO -0.06 0.25 -0.10 0.74 0.37 0.00 0.00 175.52 176.72 1u8f h THR 154 N 0.94 1.24 0.00 3.16 2.02 -1.72 -0.98 112.91 117.57 1u8f h THR 154 Ca 0.24 -1.08 -0.02 0.00 0.77 0.00 0.00 66.41 66.32 1u8f h THR 154 Cb 0.08 1.06 -0.00 0.00 -1.74 0.00 0.00 68.15 67.55 1u8f h THR 154 CO -0.03 0.36 -0.10 0.78 0.37 0.00 0.00 175.52 176.90 1u8f h ASN 155 N 0.60 0.00 0.06 4.18 2.35 -0.57 0.10 115.58 122.29 1u8f h ASN 155 Ca 0.11 0.00 -0.16 0.00 -0.55 0.00 0.00 56.30 55.70 1u8f h ASN 155 Cb 0.52 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.89 1u8f h ASN 155 CO 0.03 0.10 -0.80 0.00 -1.65 0.00 0.00 177.43 175.11 1u8f h LEU 157 N -0.70 0.46 -0.33 0.00 5.85 -1.08 -3.34 115.31 116.18 1u8f h LEU 157 Ca -0.18 -0.52 0.07 0.00 0.84 0.00 0.00 57.88 58.09 1u8f h LEU 157 Cb 1.39 -0.13 -0.08 0.00 0.37 0.00 0.00 40.66 42.21 1u8f h LEU 157 CO -0.00 0.90 -0.20 0.00 -0.34 0.00 0.00 178.44 178.79 1u8f h ALA 158 N 0.58 0.02 -0.86 1.25 0.00 -1.18 0.92 119.26 119.99 1u8f h ALA 158 Ca 0.01 0.11 0.03 0.00 0.00 0.00 0.00 54.91 55.06 1u8f h ALA 158 Cb 0.80 0.46 -0.05 0.00 0.00 0.00 0.00 17.79 19.00 1u8f h ALA 158 CO 0.05 -0.59 0.56 -1.35 0.00 0.00 0.00 179.25 177.92 1u8f h PRO 159 N -0.16 1.07 -0.14 0.00 0.11 -1.74 -0.27 132.00 130.86 1u8f h PRO 159 Ca 0.17 -0.06 -0.03 0.00 0.11 0.00 0.00 66.00 66.19 1u8f h PRO 159 Cb 0.42 -0.24 -0.00 0.00 0.11 0.00 0.00 31.00 31.28 1u8f h PRO 159 CO -0.42 0.71 -0.03 1.25 -0.21 0.00 0.00 178.00 179.29 1u8f h LEU 160 N 1.10 0.26 -1.23 2.35 5.85 -1.56 -2.98 115.31 119.09 1u8f h LEU 160 Ca 0.33 -0.36 0.05 0.00 0.84 0.00 0.00 57.88 58.75 1u8f h LEU 160 Cb -0.03 -0.07 -0.05 0.00 0.37 0.00 0.00 40.66 40.88 1u8f h LEU 160 CO -0.10 0.56 0.54 0.00 -0.34 0.00 0.00 178.44 179.09 1u8f h ALA 161 N 0.71 1.54 -0.26 1.25 0.00 -0.54 -1.44 119.26 120.52 1u8f h ALA 161 Ca 0.04 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1u8f h ALA 161 Cb 0.44 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 1u8f h ALA 161 CO 0.01 0.36 0.16 -0.22 0.00 0.00 0.00 179.25 179.56 1u8f h LYS 162 N 0.97 0.34 -0.43 0.00 3.64 -0.98 0.31 116.57 120.42 1u8f h LYS 162 Ca 0.34 -0.02 -0.04 0.00 -1.27 0.00 0.00 60.65 59.66 1u8f h LYS 162 Cb 0.12 -0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 31.84 1u8f h LYS 162 CO -0.11 0.25 0.12 0.28 -2.27 0.00 0.00 179.45 177.72 1u8f h VAL 163 N 0.34 1.22 -0.19 2.00 2.07 -1.27 0.95 116.25 121.37 1u8f h VAL 163 Ca 0.09 -0.76 -0.02 0.00 0.82 0.00 0.00 66.70 66.83 1u8f h VAL 163 Cb -0.02 0.91 -0.01 0.00 -1.52 0.00 0.00 31.29 30.66 1u8f h VAL 163 CO -0.02 0.27 0.02 0.40 0.02 0.00 0.00 177.57 178.26 1u8f h ILE 164 N 0.55 1.23 -0.45 4.57 1.08 -1.07 -2.35 117.51 121.07 1u8f h ILE 164 Ca 0.14 -0.77 -0.04 0.00 -0.39 0.00 0.00 64.86 63.80 1u8f h ILE 164 Cb 0.29 1.38 -0.02 0.00 -3.07 0.00 0.00 36.82 35.40 1u8f h ILE 164 CO -0.00 0.23 0.14 -0.74 -0.69 0.00 0.00 178.15 177.09 1u8f h HIS 165 N 0.10 0.73 -0.88 1.37 2.76 -0.32 0.41 115.15 119.31 1u8f h HIS 165 Ca 0.06 -0.07 0.04 0.00 -2.20 0.00 0.00 60.37 58.19 1u8f h HIS 165 Cb 0.33 -0.21 -0.05 0.00 1.55 0.00 0.00 27.41 29.03 1u8f h HIS 165 CO 0.02 0.65 0.58 -0.44 -1.30 0.00 0.00 177.93 177.44 1u8f h ASP 166 N 0.59 0.93 0.15 3.26 3.32 -0.76 -0.09 116.42 123.82 1u8f h ASP 166 Ca 0.15 -0.01 -0.36 0.00 0.02 0.00 0.00 57.03 56.83 1u8f h ASP 166 Cb 0.27 -0.21 -0.02 0.00 0.22 0.00 0.00 39.33 39.58 1u8f h ASP 166 CO -0.00 0.63 -2.01 0.59 -1.72 0.00 0.00 179.24 176.73 1u8f n ASN 167 N -4.45 1.99 0.00 6.45 3.02 -0.89 -4.70 115.26 116.68 1u8f n ASN 167 Ca 0.12 0.20 0.00 0.00 -0.03 0.00 0.00 54.58 54.87 1u8f n ASN 167 Cb 0.13 -0.75 0.00 0.00 -0.61 0.00 0.00 39.78 38.54 1u8f n ASN 167 CO 0.00 0.00 0.00 0.49 -2.62 0.00 0.00 177.26 175.13 1u8f n PHE 168 N -3.42 0.00 -0.67 3.10 3.72 0.11 -4.97 117.46 115.32 1u8f n PHE 168 Ca -0.32 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.08 1u8f n PHE 168 Cb 1.05 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.59 1u8f n PHE 168 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1u8f n GLY 169 N 1.63 -3.86 3.53 1.37 0.00 -0.05 -1.53 105.19 106.28 1u8f n GLY 169 Ca 0.00 -0.72 -0.42 0.00 0.00 0.00 0.00 46.02 44.88 1u8f n GLY 169 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1u8f s ILE 170 N -0.09 5.00 0.04 -0.61 1.01 -1.26 -1.47 121.20 123.82 1u8f s ILE 170 Ca 0.00 0.08 -0.19 0.00 0.00 0.00 0.00 60.65 60.54 1u8f s ILE 170 Cb 0.00 -4.03 -0.15 0.00 0.01 0.00 0.00 42.46 38.29 1u8f s ILE 170 CO 0.00 -0.36 1.31 0.58 0.00 0.00 0.00 174.94 176.47 1u8f h VAL 171 N 5.70 1.36 -1.84 2.92 2.07 -1.19 -3.48 116.25 121.80 1u8f h VAL 171 Ca -0.27 -1.48 0.09 0.00 0.82 0.00 0.00 66.70 65.86 1u8f h VAL 171 Cb 1.12 1.96 -0.20 0.00 -1.52 0.00 0.00 31.29 32.65 1u8f h VAL 171 CO 0.80 0.44 0.52 -1.83 0.02 0.00 0.00 177.57 177.52 1u8f s GLU 172 N -4.10 0.69 -0.01 1.57 -1.05 -1.23 -4.89 118.70 109.69 1u8f s GLU 172 Ca -0.14 -0.02 -0.20 0.00 -0.15 0.00 0.00 54.97 54.46 1u8f s GLU 172 Cb 0.05 0.32 0.04 0.00 -0.44 0.00 0.00 34.13 34.11 1u8f s GLU 172 CO 0.78 -0.25 0.44 0.20 0.95 0.00 0.00 175.26 177.38 1u8f s GLY 173 N -1.65 -0.31 -0.07 -3.83 0.00 0.28 -1.03 107.32 100.70 1u8f s GLY 173 Ca 0.01 0.59 0.03 0.00 0.00 0.00 0.00 44.72 45.35 1u8f s GLY 173 CO -0.02 0.33 -0.14 1.08 0.00 0.00 0.00 173.10 174.35 1u8f s LEU 174 N -1.50 1.72 0.08 0.66 1.43 0.24 -2.97 118.68 118.35 1u8f s LEU 174 Ca -0.10 -0.34 0.08 0.00 -1.03 0.00 0.00 54.13 52.73 1u8f s LEU 174 Cb -0.02 -0.92 -0.04 0.00 0.03 0.00 0.00 46.19 45.24 1u8f s LEU 174 CO 0.04 0.06 -0.17 -0.32 0.23 0.00 0.00 176.35 176.19 1u8f s MET 175 N 0.59 1.97 -0.04 1.70 -2.45 0.02 -0.95 119.30 120.14 1u8f s MET 175 Ca -0.15 -1.06 0.02 0.00 -1.25 0.00 0.00 55.69 53.25 1u8f s MET 175 Cb -0.16 -2.18 0.01 0.00 1.25 0.00 0.00 34.83 33.75 1u8f s MET 175 CO 0.04 0.51 -0.09 0.99 1.05 0.00 0.00 175.02 177.53 1u8f s THR 176 N -1.04 0.80 -0.14 10.11 2.01 -0.19 -1.23 115.64 125.96 1u8f s THR 176 Ca 0.17 -0.32 0.01 0.00 0.31 0.00 0.00 61.69 61.85 1u8f s THR 176 Cb -0.11 -0.74 -0.00 0.00 0.01 0.00 0.00 72.50 71.66 1u8f s THR 176 CO 0.08 0.27 -0.18 0.28 -0.69 0.00 0.00 174.62 174.38 1u8f s THR 177 N 0.49 2.49 -0.50 -0.82 -1.32 -0.88 -0.02 115.64 115.09 1u8f s THR 177 Ca -0.08 -0.84 -0.20 0.00 -1.21 0.00 0.00 61.69 59.36 1u8f s THR 177 Cb -0.12 -2.02 0.05 0.00 -1.51 0.00 0.00 72.50 68.89 1u8f s THR 177 CO 0.01 0.53 0.67 -0.69 -2.21 0.00 0.00 174.62 172.93 1u8f s VAL 178 N 0.67 4.80 -0.03 5.08 1.01 -0.38 -1.28 120.40 130.28 1u8f s VAL 178 Ca -0.09 -0.26 0.01 0.00 0.00 0.00 0.00 61.98 61.65 1u8f s VAL 178 Cb -0.16 -4.31 -0.03 0.00 0.00 0.00 0.00 36.38 31.88 1u8f s VAL 178 CO 0.02 -0.79 -0.03 -2.28 0.00 0.00 0.00 175.10 172.01 1u8f s HIS 179 N 2.84 3.02 0.80 5.22 5.04 0.17 -1.38 115.29 130.99 1u8f s HIS 179 Ca 0.19 0.06 -0.10 0.00 -1.54 0.00 0.00 55.06 53.66 1u8f s HIS 179 Cb -0.17 -1.68 0.07 0.00 0.04 0.00 0.00 32.58 30.84 1u8f s HIS 179 CO 0.14 0.42 1.10 0.00 -2.34 0.00 0.00 174.74 174.06 1u8f s ALA 180 N -0.98 2.11 0.70 1.58 0.00 -1.25 -1.06 121.76 122.87 1u8f s ALA 180 Ca 0.16 0.33 -0.13 0.00 0.00 0.00 0.00 51.96 52.32 1u8f s ALA 180 Cb -0.11 -3.31 0.02 0.00 0.00 0.00 0.00 23.12 19.72 1u8f s ALA 180 CO 0.06 -1.95 1.10 0.96 0.00 0.00 0.00 175.76 175.93 1u8f s ILE 181 N -2.85 3.33 0.33 0.00 -4.36 -0.25 -4.74 121.20 112.66 1u8f s ILE 181 Ca 0.62 0.53 0.03 0.00 -0.26 0.00 0.00 60.65 61.58 1u8f s ILE 181 Cb -0.18 -3.05 -0.04 0.00 1.25 0.00 0.00 42.46 40.44 1u8f s ILE 181 CO 0.56 -0.47 0.13 0.42 0.24 0.00 0.00 174.94 175.83 1u8f s THR 182 N -2.60 0.56 0.64 8.37 -4.23 -1.26 -4.72 115.64 112.40 1u8f s THR 182 Ca 0.64 -2.00 0.39 0.00 -1.18 0.00 0.00 61.69 59.54 1u8f s THR 182 Cb -0.19 -2.52 0.41 0.00 1.34 0.00 0.00 72.50 71.54 1u8f s THR 182 CO 0.48 0.00 2.28 0.00 -0.54 0.00 0.00 174.62 176.84 1u8f h ALA 183 N 2.09 1.22 0.00 3.99 0.00 -1.98 -1.76 119.26 122.82 1u8f h ALA 183 Ca -0.35 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.55 1u8f h ALA 183 Cb 1.25 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.05 1u8f h ALA 183 CO 0.57 -0.06 0.00 1.79 0.00 0.00 0.00 179.25 181.55 1u8f h THR 184 N 0.00 0.00 -3.93 0.00 1.35 -1.99 -3.45 112.91 104.89 1u8f h THR 184 Ca 0.01 -0.42 -0.46 0.00 -0.55 0.00 0.00 66.41 64.98 1u8f h THR 184 Cb 0.11 1.31 0.10 0.00 -1.73 0.00 0.00 68.15 67.94 1u8f h THR 184 CO -0.00 0.00 0.30 -1.10 -0.25 0.00 0.00 175.52 174.47 1u8f s GLN 185 N -3.26 1.83 0.09 4.72 -0.21 -0.66 -4.96 119.66 117.20 1u8f s GLN 185 Ca 0.07 -0.24 0.07 0.00 0.02 0.00 0.00 55.36 55.28 1u8f s GLN 185 Cb 0.10 -2.06 -0.04 0.00 1.00 0.00 0.00 33.01 32.01 1u8f s GLN 185 CO 0.51 -1.56 -0.13 0.15 -2.12 0.00 0.00 175.29 172.15 1u8f s LYS 186 N -5.44 2.07 0.20 2.91 -0.14 -1.26 -5.00 119.74 113.09 1u8f s LYS 186 Ca 0.63 -1.03 -0.01 0.00 -1.36 0.00 0.00 55.97 54.20 1u8f s LYS 186 Cb -0.09 -2.26 0.15 0.00 -1.68 0.00 0.00 37.83 33.94 1u8f s LYS 186 CO 0.47 0.51 1.52 1.79 -0.76 0.00 0.00 175.35 178.89 1u8f h THR 187 N 3.44 1.33 -4.28 2.17 1.35 -1.91 0.16 112.91 115.18 1u8f h THR 187 Ca -0.49 -1.83 -0.14 0.00 -0.55 0.00 0.00 66.41 63.40 1u8f h THR 187 Cb 1.17 1.82 -0.15 0.00 -1.73 0.00 0.00 68.15 69.25 1u8f h THR 187 CO 0.50 0.56 -0.67 0.68 -0.25 0.00 0.00 175.52 176.34 1u8f s VAL 188 N -3.95 0.20 -0.42 6.82 -7.23 -1.26 -4.05 120.40 110.51 1u8f s VAL 188 Ca -0.07 -1.84 -0.41 0.00 -1.81 0.00 0.00 61.98 57.85 1u8f s VAL 188 Cb 0.11 -1.68 -0.16 0.00 0.56 0.00 0.00 36.38 35.21 1u8f s VAL 188 CO 0.83 -0.84 2.00 0.47 -0.31 0.00 0.00 175.10 177.26 1u8f n ASP 189 N 0.04 1.51 -3.66 4.85 9.92 -1.26 -4.22 116.55 123.74 1u8f n ASP 189 Ca -0.11 0.75 -0.15 0.00 -0.53 0.00 0.00 54.79 54.75 1u8f n ASP 189 Cb 0.62 -1.04 -0.07 0.00 -0.64 0.00 0.00 41.12 39.98 1u8f n ASP 189 CO 0.00 0.00 0.00 -0.83 0.13 0.00 0.00 177.20 176.50 1u8f s GLY 190 N 5.49 1.60 0.24 0.44 0.00 0.74 -4.91 107.32 110.91 1u8f s GLY 190 Ca 1.11 -1.65 -0.30 0.00 0.00 0.00 0.00 44.72 43.87 1u8f s GLY 190 CO 0.64 -1.21 1.50 -4.14 0.00 0.00 0.00 173.10 169.89 1u8f s PRO 191 N -3.62 4.23 -0.44 2.90 0.02 -1.26 -4.44 135.00 132.38 1u8f s PRO 191 Ca 0.35 2.37 0.07 0.00 0.02 0.00 0.00 61.00 63.81 1u8f s PRO 191 Cb 0.03 -3.10 0.33 0.00 0.02 0.00 0.00 34.50 31.78 1u8f s PRO 191 CO 0.19 -0.51 1.11 0.45 -0.33 0.00 0.00 177.00 177.91 1u8f n SER 192 N 2.67 -1.97 -0.29 2.53 2.88 -1.26 -4.85 113.62 113.32 1u8f n SER 192 Ca 0.09 -3.49 0.28 0.00 -1.33 0.00 0.00 58.87 54.41 1u8f n SER 192 Cb 0.39 1.58 0.52 0.00 -0.75 0.00 0.00 64.21 65.95 1u8f n SER 192 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1u8f n GLY 193 N 0.24 -0.71 0.17 0.46 0.00 -1.26 -0.52 105.19 103.56 1u8f n GLY 193 Ca 0.07 0.74 0.09 0.00 0.00 0.00 0.00 46.02 46.91 1u8f n GLY 193 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1u8f h LYS 194 N 0.00 0.00 -2.41 1.61 1.57 -2.03 -3.40 116.57 111.90 1u8f h LYS 194 Ca 0.75 0.00 -0.56 0.00 -1.87 0.00 0.00 60.65 58.97 1u8f h LYS 194 Cb 1.97 0.00 -0.38 0.00 0.08 0.00 0.00 32.23 33.91 1u8f h LYS 194 CO -0.70 0.14 -0.89 -0.51 -0.57 0.00 0.00 179.45 176.92 1u8f s LEU 195 N -6.04 1.04 0.25 2.94 1.43 0.32 -5.04 118.68 113.57 1u8f s LEU 195 Ca 0.04 -2.53 -0.04 0.00 -1.03 0.00 0.00 54.13 50.58 1u8f s LEU 195 Cb 0.07 -0.30 0.46 0.00 0.03 0.00 0.00 46.19 46.45 1u8f s LEU 195 CO 0.73 -0.24 1.75 -0.50 0.23 0.00 0.00 176.35 178.32 1u8f h TRP 196 N 6.37 0.62 -0.38 0.29 4.06 -1.75 -2.12 115.95 123.05 1u8f h TRP 196 Ca 0.15 0.03 -0.05 0.00 2.06 0.00 0.00 58.89 61.09 1u8f h TRP 196 Cb 0.95 -0.16 -0.02 0.00 -1.00 0.00 0.00 29.16 28.93 1u8f h TRP 196 CO 0.35 0.13 0.02 0.00 -3.56 0.00 0.00 178.44 175.38 1u8f h ARG 197 N 0.53 0.59 0.00 0.49 3.08 -1.91 -2.40 114.38 114.76 1u8f h ARG 197 Ca 0.42 -0.13 0.00 0.00 0.07 0.00 0.00 59.98 60.34 1u8f h ARG 197 Cb 0.59 -0.09 0.00 0.00 0.08 0.00 0.00 29.97 30.55 1u8f h ARG 197 CO -0.36 0.60 0.00 -0.25 -1.07 0.00 0.00 179.97 178.88 1u8f n ASP 198 N -4.28 0.45 0.07 7.04 8.00 -0.80 -1.95 116.55 125.08 1u8f n ASP 198 Ca 0.02 0.65 0.12 0.00 0.71 0.00 0.00 54.79 56.29 1u8f n ASP 198 Cb 0.24 -0.73 0.19 0.00 -0.02 0.00 0.00 41.12 40.80 1u8f n ASP 198 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1u8f n GLY 199 N -0.61 -1.45 3.77 0.44 0.00 -0.90 -4.02 105.19 102.43 1u8f n GLY 199 Ca 0.01 -0.22 -0.36 0.00 0.00 0.00 0.00 46.02 45.44 1u8f n GLY 199 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1u8f s ARG 200 N -3.16 3.72 -0.39 1.61 1.81 -0.82 -0.19 118.95 121.52 1u8f s ARG 200 Ca 0.07 1.71 -0.44 0.00 -1.72 0.00 0.00 55.73 55.34 1u8f s ARG 200 Cb 0.13 -2.33 -0.18 0.00 -0.45 0.00 0.00 34.95 32.12 1u8f s ARG 200 CO 0.71 -0.57 1.62 0.41 -0.68 0.00 0.00 175.30 176.79 1u8f n GLY 201 N 0.36 0.40 0.19 -3.53 0.00 -1.26 -4.53 105.19 96.81 1u8f n GLY 201 Ca 0.08 0.97 0.05 0.00 0.00 0.00 0.00 46.02 47.12 1u8f n GLY 201 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1u8f h ALA 202 N 5.65 1.01 0.00 4.61 0.00 -0.82 -2.84 119.26 126.87 1u8f h ALA 202 Ca -0.45 -0.34 -0.10 0.00 0.00 0.00 0.00 54.91 54.01 1u8f h ALA 202 Cb 1.35 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 19.07 1u8f h ALA 202 CO 0.96 0.47 -0.69 -0.07 0.00 0.00 0.00 179.25 179.92 1u8f h LEU 203 N 0.00 0.00 0.00 0.00 4.07 -1.80 -3.36 115.31 114.23 1u8f h LEU 203 Ca -0.00 0.00 -0.07 0.00 0.08 0.00 0.00 57.88 57.89 1u8f h LEU 203 Cb 0.89 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 42.62 1u8f h LEU 203 CO 0.05 0.42 -1.35 0.00 -1.08 0.00 0.00 178.44 176.48 1u8f n GLN 204 N -3.09 0.62 -4.39 1.13 6.02 -1.19 -4.79 117.38 111.69 1u8f n GLN 204 Ca -0.01 0.10 -0.24 0.00 -0.01 0.00 0.00 57.00 56.85 1u8f n GLN 204 Cb 0.72 -1.76 -0.11 0.00 1.02 0.00 0.00 30.24 30.11 1u8f n GLN 204 CO 0.00 0.00 0.00 -0.80 -1.01 0.00 0.00 177.06 175.25 1u8f s ASN 205 N -5.36 3.10 -0.27 1.08 -0.87 -1.08 -5.07 114.94 106.46 1u8f s ASN 205 Ca -0.03 -0.91 -0.13 0.00 -1.57 0.00 0.00 52.86 50.22 1u8f s ASN 205 Cb 0.10 -0.22 -0.04 0.00 -0.02 0.00 0.00 41.25 41.07 1u8f s ASN 205 CO 0.82 0.02 0.29 -0.63 -2.57 0.00 0.00 177.10 175.03 1u8f s ILE 206 N -2.10 5.23 -0.23 0.60 1.01 -1.26 -4.27 121.20 120.19 1u8f s ILE 206 Ca 0.21 0.40 0.01 0.00 0.00 0.00 0.00 60.65 61.26 1u8f s ILE 206 Cb -0.06 -3.63 0.03 0.00 0.01 0.00 0.00 42.46 38.82 1u8f s ILE 206 CO 0.09 0.20 -0.13 -0.63 0.00 0.00 0.00 174.94 174.48 1u8f s ILE 207 N 1.91 2.36 0.34 2.92 1.01 0.54 -4.92 121.20 125.37 1u8f s ILE 207 Ca 0.12 -1.17 -0.27 0.00 0.00 0.00 0.00 60.65 59.32 1u8f s ILE 207 Cb -0.16 -2.18 -0.09 0.00 0.01 0.00 0.00 42.46 40.04 1u8f s ILE 207 CO 0.10 0.26 1.16 -2.16 0.00 0.00 0.00 174.94 174.30 1u8f s PRO 208 N 1.25 4.36 -0.01 2.79 0.04 -1.26 0.11 135.00 142.27 1u8f s PRO 208 Ca -0.01 1.87 -0.12 0.00 0.04 0.00 0.00 61.00 62.79 1u8f s PRO 208 Cb -0.16 -2.95 0.02 0.00 0.04 0.00 0.00 34.50 31.44 1u8f s PRO 208 CO -0.08 -0.06 0.25 0.00 0.04 0.00 0.00 177.00 177.15 1u8f s ALA 209 N -1.28 -0.61 0.58 8.56 0.00 0.56 -4.83 121.76 124.75 1u8f s ALA 209 Ca 0.50 0.20 -0.14 0.00 0.00 0.00 0.00 51.96 52.52 1u8f s ALA 209 Cb -0.32 0.05 -0.05 0.00 0.00 0.00 0.00 23.12 22.79 1u8f s ALA 209 CO 0.41 -0.23 1.02 -1.12 0.00 0.00 0.00 175.76 175.84 1u8f s SER 210 N -1.23 6.25 -0.28 0.00 0.01 -1.26 -0.57 113.70 116.62 1u8f s SER 210 Ca -0.13 1.55 -0.19 0.00 1.31 0.00 0.00 55.95 58.49 1u8f s SER 210 Cb -0.06 -2.50 0.08 0.00 0.21 0.00 0.00 66.02 63.76 1u8f s SER 210 CO 0.03 -0.85 0.73 0.28 0.41 0.00 0.00 173.24 173.84 1u8f s THR 211 N -2.86 0.00 -1.50 1.44 -1.32 -1.26 -4.76 115.64 105.38 1u8f s THR 211 Ca 0.58 0.00 0.16 0.00 -1.21 0.00 0.00 61.69 61.22 1u8f s THR 211 Cb -0.11 -1.00 0.56 0.00 -1.51 0.00 0.00 72.50 70.43 1u8f s THR 211 CO 0.43 0.00 1.45 0.61 -2.21 0.00 0.00 174.62 174.90 1u8f n GLY 212 N 3.72 2.03 0.37 6.08 0.00 -1.26 -4.50 105.19 111.64 1u8f n GLY 212 Ca -0.18 -0.66 0.02 0.00 0.00 0.00 0.00 46.02 45.20 1u8f n GLY 212 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1u8f h ALA 213 N 3.92 1.40 -0.12 4.61 0.00 -1.95 -0.31 119.26 126.82 1u8f h ALA 213 Ca 0.00 -0.03 -0.12 0.00 0.00 0.00 0.00 54.91 54.75 1u8f h ALA 213 Cb 1.06 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 18.54 1u8f h ALA 213 CO 0.12 0.47 -0.40 0.00 0.00 0.00 0.00 179.25 179.44 1u8f h ALA 214 N 1.45 0.21 -0.72 0.00 0.00 -1.90 -3.08 119.26 115.22 1u8f h ALA 214 Ca 0.41 -0.46 0.01 0.00 0.00 0.00 0.00 54.91 54.86 1u8f h ALA 214 Cb 0.10 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 17.84 1u8f h ALA 214 CO -0.15 0.31 0.48 -0.22 0.00 0.00 0.00 179.25 179.68 1u8f h LYS 215 N 0.07 0.95 0.00 0.00 3.64 -1.55 -1.69 116.57 118.00 1u8f h LYS 215 Ca -0.02 -0.06 -0.00 0.00 -1.27 0.00 0.00 60.65 59.30 1u8f h LYS 215 Cb 1.03 -0.21 -0.00 0.00 -0.41 0.00 0.00 32.23 32.64 1u8f h LYS 215 CO 0.09 0.63 -0.02 0.00 -2.27 0.00 0.00 179.45 177.88 1u8f h ALA 216 N 1.55 1.25 -0.39 5.00 0.00 -0.97 -1.77 119.26 123.94 1u8f h ALA 216 Ca 0.26 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.16 1u8f h ALA 216 Cb -0.11 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 1u8f h ALA 216 CO -0.06 0.02 0.24 0.28 0.00 0.00 0.00 179.25 179.73 1u8f h VAL 217 N 0.00 1.11 0.00 0.00 2.07 -1.26 0.30 116.25 118.47 1u8f h VAL 217 Ca -0.00 -0.24 0.00 0.00 0.82 0.00 0.00 66.70 67.28 1u8f h VAL 217 Cb 0.08 0.56 0.00 0.00 -1.52 0.00 0.00 31.29 30.42 1u8f h VAL 217 CO 0.00 0.11 0.00 1.23 0.02 0.00 0.00 177.57 178.93 1u8f h GLY 218 N 0.56 0.00 1.42 2.17 0.00 -1.46 0.11 103.07 105.87 1u8f h GLY 218 Ca 0.14 0.00 -0.28 0.00 0.00 0.00 0.00 47.33 47.19 1u8f h GLY 218 CO -0.03 0.00 -1.40 0.50 0.00 0.00 0.00 176.54 175.62 1u8f h LYS 219 N 0.00 0.21 0.00 4.80 1.57 -1.09 -3.09 116.57 118.98 1u8f h LYS 219 Ca 0.00 -0.36 0.00 0.00 -1.87 0.00 0.00 60.65 58.42 1u8f h LYS 219 Cb 0.13 0.14 0.00 0.00 0.08 0.00 0.00 32.23 32.58 1u8f h LYS 219 CO 0.00 1.09 -1.05 1.33 -0.57 0.00 0.00 179.45 180.25 1u8f n VAL 220 N -3.44 0.27 -3.56 0.50 0.24 -0.77 -4.46 118.33 107.11 1u8f n VAL 220 Ca -0.12 -0.33 -0.28 0.00 -2.04 0.00 0.00 64.34 61.57 1u8f n VAL 220 Cb 1.03 0.03 -0.11 0.00 -1.47 0.00 0.00 33.84 33.31 1u8f n VAL 220 CO 0.00 0.00 0.00 -0.63 -2.14 0.00 0.00 176.83 174.06 1u8f s ILE 221 N -3.26 1.05 0.39 1.34 1.01 0.31 -4.52 121.20 117.52 1u8f s ILE 221 Ca 0.02 -2.88 0.22 0.00 0.00 0.00 0.00 60.65 58.01 1u8f s ILE 221 Cb 0.13 -1.72 0.39 0.00 0.01 0.00 0.00 42.46 41.27 1u8f s ILE 221 CO 0.80 -1.10 1.64 -0.65 0.00 0.00 0.00 174.94 175.63 1u8f h PRO 222 N 5.93 0.18 0.00 2.79 0.11 -1.75 0.73 132.00 139.99 1u8f h PRO 222 Ca 0.17 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.27 1u8f h PRO 222 Cb 0.89 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 31.95 1u8f h PRO 222 CO 0.45 0.12 0.00 0.93 -0.21 0.00 0.00 178.00 179.29 1u8f h GLU 223 N 0.19 0.00 -0.57 1.05 5.08 -1.95 -2.24 114.58 116.14 1u8f h GLU 223 Ca 0.78 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 59.14 1u8f h GLU 223 Cb 2.09 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.34 1u8f h GLU 223 CO -0.54 0.00 0.00 1.28 -1.00 0.00 0.00 179.01 178.75 1u8f n LEU 224 N -2.70 3.66 -4.71 1.33 4.77 0.25 -4.92 117.00 114.69 1u8f n LEU 224 Ca -0.00 -1.81 -0.42 0.00 -0.03 0.00 0.00 56.01 53.74 1u8f n LEU 224 Cb 0.16 -0.37 -0.03 0.00 -2.33 0.00 0.00 43.42 40.85 1u8f n LEU 224 CO 0.20 0.87 1.36 0.21 -1.33 0.00 0.00 177.39 178.70 1u8f s ASN 225 N -1.16 6.47 0.00 -1.43 3.84 -0.84 -1.37 114.94 120.45 1u8f s ASN 225 Ca 0.42 2.73 0.00 0.00 0.21 0.00 0.00 52.86 56.22 1u8f s ASN 225 Cb 0.23 -2.58 0.00 0.00 -0.55 0.00 0.00 41.25 38.35 1u8f s ASN 225 CO 0.31 -0.94 0.00 0.61 -2.79 0.00 0.00 177.10 174.29 1u8f n GLY 226 N 4.01 1.16 0.71 1.21 0.00 -1.26 -4.87 105.19 106.15 1u8f n GLY 226 Ca 0.16 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.28 1u8f n GLY 226 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1u8f n LYS 227 N -2.00 1.70 -3.89 1.61 5.02 -0.47 -4.98 118.16 115.14 1u8f n LYS 227 Ca 0.00 -1.51 -0.11 0.00 -2.02 0.00 0.00 58.31 54.67 1u8f n LYS 227 Cb 0.00 -1.38 -0.11 0.00 -0.02 0.00 0.00 35.03 33.53 1u8f n LYS 227 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1u8f s LEU 228 N -1.78 1.76 0.00 -0.35 1.43 -1.25 -0.56 118.68 117.93 1u8f s LEU 228 Ca 0.21 -0.19 -0.21 0.00 -1.03 0.00 0.00 54.13 52.91 1u8f s LEU 228 Cb 0.16 0.44 0.07 0.00 0.03 0.00 0.00 46.19 46.90 1u8f s LEU 228 CO 0.30 -0.27 0.99 1.07 0.23 0.00 0.00 176.35 178.67 1u8f n THR 229 N 1.85 0.00 -3.50 5.49 5.66 -1.16 -3.53 114.28 119.10 1u8f n THR 229 Ca -0.21 -0.58 0.00 0.00 -3.05 0.00 0.00 64.05 60.21 1u8f n THR 229 Cb 0.56 0.77 0.00 0.00 -1.55 0.00 0.00 70.33 70.12 1u8f n THR 229 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1u8f n GLY 230 N -0.70 -0.75 3.20 1.09 0.00 -1.26 -0.80 105.19 105.98 1u8f n GLY 230 Ca -0.03 -0.90 -0.12 0.00 0.00 0.00 0.00 46.02 44.97 1u8f n GLY 230 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 173.32 174.47 1u8f n MET 231 N 0.00 0.75 -4.23 1.61 0.00 -0.36 -4.45 117.12 110.44 1u8f n MET 231 Ca 0.00 -2.45 -0.13 0.00 0.00 0.00 0.00 57.70 55.12 1u8f n MET 231 Cb 0.00 2.51 -0.10 0.00 0.00 0.00 0.00 33.22 35.63 1u8f n MET 231 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1u8f s ALA 232 N -2.50 1.30 -0.14 3.17 0.00 0.26 -2.06 121.76 121.78 1u8f s ALA 232 Ca 0.24 -1.48 -0.00 0.00 0.00 0.00 0.00 51.96 50.71 1u8f s ALA 232 Cb -0.02 0.21 0.03 0.00 0.00 0.00 0.00 23.12 23.35 1u8f s ALA 232 CO 0.17 -0.20 -0.06 -0.06 0.00 0.00 0.00 175.76 175.61 1u8f s PHE 233 N -3.50 1.60 -0.05 0.00 0.08 -0.40 -0.32 117.98 115.40 1u8f s PHE 233 Ca 0.17 -0.94 -0.24 0.00 0.12 0.00 0.00 56.93 56.05 1u8f s PHE 233 Cb 0.04 -1.28 -0.04 0.00 -0.57 0.00 0.00 43.02 41.18 1u8f s PHE 233 CO -0.00 -0.57 0.71 1.03 -0.10 0.00 0.00 175.22 176.28 1u8f s ARG 234 N 1.67 4.44 0.18 0.44 1.81 0.12 -0.66 118.95 126.95 1u8f s ARG 234 Ca 0.02 0.91 0.08 0.00 -1.72 0.00 0.00 55.73 55.02 1u8f s ARG 234 Cb -0.14 -3.43 -0.04 0.00 -0.45 0.00 0.00 34.95 30.89 1u8f s ARG 234 CO -0.08 0.11 -0.15 0.14 -0.68 0.00 0.00 175.30 174.64 1u8f s VAL 235 N 0.62 1.67 -0.45 3.52 -7.23 -0.22 -0.34 120.40 117.98 1u8f s VAL 235 Ca 0.38 -2.06 -0.04 0.00 -1.81 0.00 0.00 61.98 58.45 1u8f s VAL 235 Cb -0.18 -1.91 -0.04 0.00 0.56 0.00 0.00 36.38 34.82 1u8f s VAL 235 CO 0.19 -0.50 1.55 -2.65 -0.31 0.00 0.00 175.10 173.38 1u8f n PRO 236 N -0.06 1.01 -4.24 4.82 -0.02 -1.26 -3.28 135.00 131.96 1u8f n PRO 236 Ca -0.11 -0.99 -0.18 0.00 -2.02 0.00 0.00 63.50 60.21 1u8f n PRO 236 Cb 0.59 -2.24 -0.13 0.00 -0.02 0.00 0.00 33.50 31.70 1u8f n PRO 236 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 1u8f s THR 237 N 4.30 0.88 -0.36 3.45 -4.23 -1.26 -5.01 115.64 113.41 1u8f s THR 237 Ca 0.21 -0.93 0.24 0.00 -1.18 0.00 0.00 61.69 60.03 1u8f s THR 237 Cb 0.05 -0.82 0.33 0.00 1.34 0.00 0.00 72.50 73.40 1u8f s THR 237 CO -0.00 -0.09 1.64 0.00 -0.54 0.00 0.00 174.62 175.63 1u8f h ALA 238 N 4.94 0.98 -2.33 3.99 0.00 -1.88 -0.65 119.26 124.31 1u8f h ALA 238 Ca -0.36 -0.03 0.07 0.00 0.00 0.00 0.00 54.91 54.59 1u8f h ALA 238 Cb 1.19 -0.01 -0.16 0.00 0.00 0.00 0.00 17.79 18.82 1u8f h ALA 238 CO 0.44 0.04 0.43 1.21 0.00 0.00 0.00 179.25 181.37 1u8f s ASN 239 N -6.17 -0.42 0.00 0.00 2.47 -1.26 -4.62 114.94 104.94 1u8f s ASN 239 Ca 0.06 0.08 0.00 0.00 0.42 0.00 0.00 52.86 53.42 1u8f s ASN 239 Cb 0.06 0.42 0.00 0.00 -1.45 0.00 0.00 41.25 40.28 1u8f s ASN 239 CO 0.66 -0.66 0.00 0.52 -3.72 0.00 0.00 177.10 173.90 1u8f n VAL 240 N -0.12 -0.96 -4.43 -5.21 0.31 -1.26 -4.88 118.33 101.78 1u8f n VAL 240 Ca -0.11 0.00 -0.22 0.00 -0.01 0.00 0.00 64.34 64.00 1u8f n VAL 240 Cb 0.62 -0.96 -0.09 0.00 -0.91 0.00 0.00 33.84 32.49 1u8f n VAL 240 CO 0.00 0.00 0.00 -0.44 -1.32 0.00 0.00 176.83 175.07 1u8f s SER 241 N -0.52 2.19 -0.03 4.52 0.01 0.23 -3.90 113.70 116.19 1u8f s SER 241 Ca 0.00 -1.52 -0.03 0.00 1.31 0.00 0.00 55.95 55.72 1u8f s SER 241 Cb 0.00 0.25 0.01 0.00 0.21 0.00 0.00 66.02 66.49 1u8f s SER 241 CO 0.00 -0.79 0.08 0.54 0.41 0.00 0.00 173.24 173.48 1u8f s VAL 242 N -3.39 -0.01 -0.11 3.43 0.11 -0.48 -1.20 120.40 118.75 1u8f s VAL 242 Ca 0.32 0.03 -0.11 0.00 -2.93 0.00 0.00 61.98 59.28 1u8f s VAL 242 Cb 0.06 -0.12 -0.05 0.00 -1.53 0.00 0.00 36.38 34.74 1u8f s VAL 242 CO 0.15 0.01 0.25 -0.69 -3.33 0.00 0.00 175.10 171.49 1u8f s VAL 243 N 0.19 5.32 -0.33 2.04 1.01 0.13 -1.25 120.40 127.52 1u8f s VAL 243 Ca -0.01 0.46 0.03 0.00 0.00 0.00 0.00 61.98 62.46 1u8f s VAL 243 Cb -0.02 -3.55 0.10 0.00 0.00 0.00 0.00 36.38 32.90 1u8f s VAL 243 CO -0.01 0.52 0.05 -0.62 0.00 0.00 0.00 175.10 175.05 1u8f s ASP 244 N -0.43 4.58 -0.29 3.32 3.68 0.97 -1.42 116.67 127.07 1u8f s ASP 244 Ca 0.17 -2.00 -0.10 0.00 2.13 0.00 0.00 52.55 52.75 1u8f s ASP 244 Cb -0.13 -1.45 -0.03 0.00 -1.45 0.00 0.00 42.92 39.86 1u8f s ASP 244 CO 0.06 -0.38 0.15 -0.22 0.13 0.00 0.00 175.17 174.91 1u8f s LEU 245 N 1.07 3.96 -0.32 -1.34 2.96 0.11 -1.02 118.68 124.11 1u8f s LEU 245 Ca 0.10 -0.29 -0.09 0.00 -0.22 0.00 0.00 54.13 53.63 1u8f s LEU 245 Cb -0.19 -2.03 0.01 0.00 0.50 0.00 0.00 46.19 44.48 1u8f s LEU 245 CO -0.12 -0.12 0.14 -0.89 -1.32 0.00 0.00 176.35 174.05 1u8f s THR 246 N 1.67 4.36 0.08 3.68 2.01 -0.13 -0.27 115.64 127.04 1u8f s THR 246 Ca 0.06 -0.66 0.02 0.00 0.31 0.00 0.00 61.69 61.42 1u8f s THR 246 Cb -0.16 -3.30 -0.04 0.00 0.01 0.00 0.00 72.50 69.01 1u8f s THR 246 CO 0.07 -0.03 -0.08 0.00 -0.69 0.00 0.00 174.62 173.90 1u8f s ARG 248 N -3.02 3.68 0.03 0.00 0.52 -0.20 -2.01 118.95 117.94 1u8f s ARG 248 Ca 0.05 -0.27 0.03 0.00 -0.52 0.00 0.00 55.73 55.02 1u8f s ARG 248 Cb -0.00 -3.17 -0.04 0.00 0.52 0.00 0.00 34.95 32.26 1u8f s ARG 248 CO -0.02 0.51 -0.01 -0.51 0.02 0.00 0.00 175.30 175.29 1u8f s LEU 249 N -0.29 3.44 0.04 2.53 1.43 0.15 -0.62 118.68 125.36 1u8f s LEU 249 Ca 0.09 -0.09 -0.00 0.00 -1.03 0.00 0.00 54.13 53.10 1u8f s LEU 249 Cb -0.12 -2.04 -0.26 0.00 0.03 0.00 0.00 46.19 43.80 1u8f s LEU 249 CO 0.01 0.25 1.00 1.05 0.23 0.00 0.00 176.35 178.89 1u8f h GLU 250 N 4.08 0.19 -6.03 1.70 4.11 -1.14 -3.45 114.58 114.05 1u8f h GLU 250 Ca -0.48 -0.32 -0.67 0.00 0.07 0.00 0.00 59.36 57.96 1u8f h GLU 250 Cb 1.17 0.12 -0.12 0.00 0.50 0.00 0.00 28.75 30.42 1u8f h GLU 250 CO 0.57 1.07 -0.60 0.15 0.07 0.00 0.00 179.01 180.27 1u8f s LYS 251 N -2.64 2.97 0.30 1.06 1.02 -0.58 -5.07 119.74 116.80 1u8f s LYS 251 Ca -0.05 -0.49 -0.29 0.00 0.02 0.00 0.00 55.97 55.16 1u8f s LYS 251 Cb 0.08 -2.80 -0.13 0.00 -0.52 0.00 0.00 37.83 34.46 1u8f s LYS 251 CO 0.85 0.66 1.22 -2.30 -0.92 0.00 0.00 175.35 174.86 1u8f n PRO 252 N 1.54 1.85 -3.36 -1.68 -0.02 -1.26 -4.85 135.00 127.22 1u8f n PRO 252 Ca -0.15 0.65 -0.14 0.00 -2.02 0.00 0.00 63.50 61.84 1u8f n PRO 252 Cb 0.53 -2.18 -0.08 0.00 -0.02 0.00 0.00 33.50 31.75 1u8f n PRO 252 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1u8f s ALA 253 N -0.89 -0.78 0.53 3.55 0.00 -0.41 -5.00 121.76 118.76 1u8f s ALA 253 Ca 0.59 -0.04 -0.21 0.00 0.00 0.00 0.00 51.96 52.30 1u8f s ALA 253 Cb -0.63 -1.89 -0.05 0.00 0.00 0.00 0.00 23.12 20.54 1u8f s ALA 253 CO 0.59 -1.70 1.23 0.15 0.00 0.00 0.00 175.76 176.04 1u8f s LYS 254 N 2.44 3.30 0.33 0.00 -0.14 -1.26 -4.63 119.74 119.79 1u8f s LYS 254 Ca 0.10 1.92 0.06 0.00 -1.36 0.00 0.00 55.97 56.69 1u8f s LYS 254 Cb -0.13 -2.19 0.73 0.00 -1.68 0.00 0.00 37.83 34.56 1u8f s LYS 254 CO -0.31 -0.96 1.85 -0.92 -0.76 0.00 0.00 175.35 174.25 1u8f h TYR 255 N 1.46 0.94 0.00 3.18 3.20 -1.96 0.16 116.97 123.95 1u8f h TYR 255 Ca -0.50 0.03 -0.04 0.00 3.14 0.00 0.00 58.73 61.35 1u8f h TYR 255 Cb 1.28 -0.30 -0.01 0.00 1.54 0.00 0.00 36.73 39.25 1u8f h TYR 255 CO 0.49 0.34 -0.21 -0.44 -1.64 0.00 0.00 178.16 176.70 1u8f h ASP 256 N 0.79 0.00 -0.32 -2.11 3.32 -1.99 -1.22 116.42 114.88 1u8f h ASP 256 Ca 0.48 0.00 -0.18 0.00 0.02 0.00 0.00 57.03 57.35 1u8f h ASP 256 Cb 0.68 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.23 1u8f h ASP 256 CO -0.24 0.21 -0.48 0.44 -1.72 0.00 0.00 179.24 177.44 1u8f h ASP 257 N 0.00 0.99 -0.48 6.45 3.32 -1.05 -1.72 116.42 123.93 1u8f h ASP 257 Ca -0.00 -0.51 -0.01 0.00 0.02 0.00 0.00 57.03 56.53 1u8f h ASP 257 Cb 0.38 -0.28 -0.02 0.00 0.22 0.00 0.00 39.33 39.62 1u8f h ASP 257 CO 0.03 1.30 0.25 0.40 -1.72 0.00 0.00 179.24 179.50 1u8f h ILE 258 N 0.70 1.17 -0.56 0.35 2.04 -0.81 -1.86 117.51 118.54 1u8f h ILE 258 Ca 0.03 -0.46 0.02 0.00 1.00 0.00 0.00 64.86 65.45 1u8f h ILE 258 Cb 1.09 0.61 -0.03 0.00 -0.74 0.00 0.00 36.82 37.75 1u8f h ILE 258 CO 0.11 0.19 0.35 0.11 0.00 0.00 0.00 178.15 178.91 1u8f h LYS 259 N 0.63 0.68 -0.06 2.37 1.57 -1.14 -1.57 116.57 119.05 1u8f h LYS 259 Ca 0.17 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.91 1u8f h LYS 259 Cb 0.07 -0.15 -0.00 0.00 0.08 0.00 0.00 32.23 32.22 1u8f h LYS 259 CO -0.02 0.45 0.03 -0.22 -0.57 0.00 0.00 179.45 179.12 1u8f h LYS 260 N 0.70 0.06 -0.35 3.15 3.64 -0.91 -0.66 116.57 122.20 1u8f h LYS 260 Ca 0.22 -0.00 -0.09 0.00 -1.27 0.00 0.00 60.65 59.50 1u8f h LYS 260 Cb -0.02 -0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 31.77 1u8f h LYS 260 CO -0.08 0.04 -0.16 -0.39 -2.27 0.00 0.00 179.45 176.59 1u8f h VAL 261 N 0.07 1.26 -0.30 2.00 -1.51 -1.20 -0.88 116.25 115.69 1u8f h VAL 261 Ca 0.02 -1.19 -0.11 0.00 -1.23 0.00 0.00 66.70 64.20 1u8f h VAL 261 Cb -0.00 1.16 -0.01 0.00 -2.13 0.00 0.00 31.29 30.32 1u8f h VAL 261 CO -0.01 0.39 -0.25 0.58 -1.23 0.00 0.00 177.57 177.05 1u8f h VAL 262 N 0.58 1.30 -0.56 7.19 2.07 -1.14 -1.03 116.25 124.66 1u8f h VAL 262 Ca 0.10 -1.40 -0.03 0.00 0.82 0.00 0.00 66.70 66.19 1u8f h VAL 262 Cb 0.61 1.53 -0.02 0.00 -1.52 0.00 0.00 31.29 31.89 1u8f h VAL 262 CO 0.04 0.45 0.23 0.50 0.02 0.00 0.00 177.57 178.81 1u8f h LYS 263 N 0.45 0.84 -0.94 1.57 3.64 -0.99 -0.27 116.57 120.87 1u8f h LYS 263 Ca 0.05 -0.15 0.01 0.00 -1.27 0.00 0.00 60.65 59.29 1u8f h LYS 263 Cb 0.81 -0.14 -0.05 0.00 -0.41 0.00 0.00 32.23 32.44 1u8f h LYS 263 CO 0.06 0.72 0.62 0.37 -2.27 0.00 0.00 179.45 178.96 1u8f h GLN 264 N 0.77 1.23 -0.55 1.90 4.15 -1.05 -1.62 115.11 119.94 1u8f h GLN 264 Ca 0.19 -0.07 -0.12 0.00 0.77 0.00 0.00 58.65 59.42 1u8f h GLN 264 Cb 0.19 -0.28 -0.02 0.00 0.21 0.00 0.00 27.48 27.59 1u8f h GLN 264 CO -0.02 0.82 -0.11 0.00 -1.93 0.00 0.00 178.83 177.59 1u8f h ALA 265 N 1.34 0.76 0.00 3.38 0.00 -0.69 -1.96 119.26 122.10 1u8f h ALA 265 Ca 0.34 -0.35 -0.05 0.00 0.00 0.00 0.00 54.91 54.85 1u8f h ALA 265 Cb -0.15 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.44 1u8f h ALA 265 CO -0.07 0.68 -0.25 0.66 0.00 0.00 0.00 179.25 180.26 1u8f h SER 266 N 0.93 0.00 0.56 0.00 4.64 -0.44 -1.53 113.55 117.71 1u8f h SER 266 Ca 0.14 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.46 1u8f h SER 266 Cb 0.68 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.77 1u8f h SER 266 CO 0.05 0.25 -0.81 -0.62 -0.87 0.00 0.00 176.83 174.84 1u8f n GLU 267 N -3.84 0.22 0.00 4.77 1.02 -0.67 -3.23 120.64 118.91 1u8f n GLU 267 Ca -0.02 0.02 0.00 0.00 -0.02 0.00 0.00 57.16 57.15 1u8f n GLU 267 Cb 0.34 -1.60 0.00 0.00 -0.02 0.00 0.00 31.44 30.16 1u8f n GLU 267 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1u8f n GLY 268 N 1.39 0.90 0.31 0.62 0.00 -0.75 -4.77 105.19 102.89 1u8f n GLY 268 Ca 0.03 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.18 1u8f n GLY 268 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1u8f h PRO 269 N 0.00 0.00 -0.51 1.61 0.13 -1.82 -2.66 132.00 128.75 1u8f h PRO 269 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 1u8f h PRO 269 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 1u8f h PRO 269 CO 0.00 0.00 0.00 1.28 -0.23 0.00 0.00 178.00 179.05 1u8f n LEU 270 N -4.42 4.44 -4.67 1.56 4.77 -0.61 -4.98 117.00 113.09 1u8f n LEU 270 Ca 0.02 -2.57 -0.45 0.00 -0.03 0.00 0.00 56.01 52.98 1u8f n LEU 270 Cb 0.30 -0.53 -0.02 0.00 -2.33 0.00 0.00 43.42 40.83 1u8f n LEU 270 CO 0.35 0.75 0.97 1.17 -1.33 0.00 0.00 177.39 179.29 1u8f n LYS 271 N 0.60 1.98 0.00 3.23 4.81 -1.01 -0.70 118.16 127.07 1u8f n LYS 271 Ca 0.23 0.70 0.00 0.00 -0.87 0.00 0.00 58.31 58.37 1u8f n LYS 271 Cb 0.87 -2.33 0.00 0.00 0.02 0.00 0.00 35.03 33.59 1u8f n LYS 271 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1u8f n GLY 272 N 1.93 2.97 0.38 3.14 0.00 -1.26 -4.73 105.19 107.62 1u8f n GLY 272 Ca 0.11 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.00 1u8f n GLY 272 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1u8f n ILE 273 N -2.00 1.29 -3.82 -0.61 5.41 0.10 -4.28 119.36 115.45 1u8f n ILE 273 Ca 0.00 0.02 -0.36 0.00 1.00 0.00 0.00 62.75 63.41 1u8f n ILE 273 Cb 0.00 -1.98 -0.13 0.00 -0.71 0.00 0.00 39.64 36.82 1u8f n ILE 273 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 176.55 176.33 1u8f s LEU 274 N -7.41 3.27 0.42 1.39 2.96 0.12 -0.52 118.68 118.92 1u8f s LEU 274 Ca -0.23 -0.36 0.08 0.00 -0.22 0.00 0.00 54.13 53.40 1u8f s LEU 274 Cb 0.06 -1.84 0.01 0.00 0.50 0.00 0.00 46.19 44.92 1u8f s LEU 274 CO 0.32 -0.05 0.57 -0.83 -1.32 0.00 0.00 176.35 175.04 1u8f s GLY 275 N 1.54 1.95 -0.07 7.98 0.00 0.28 -4.22 107.32 114.79 1u8f s GLY 275 Ca 0.06 -1.69 -0.04 0.00 0.00 0.00 0.00 44.72 43.05 1u8f s GLY 275 CO 0.01 -1.50 0.16 -0.47 0.00 0.00 0.00 173.10 171.30 1u8f s TYR 276 N -2.36 -0.19 0.01 1.90 5.04 -1.26 -1.12 117.35 119.36 1u8f s TYR 276 Ca 0.55 0.52 -0.08 0.00 -2.44 0.00 0.00 57.07 55.61 1u8f s TYR 276 Cb -0.10 -0.03 0.00 0.00 0.35 0.00 0.00 41.96 42.19 1u8f s TYR 276 CO 0.33 -0.16 0.16 -0.08 -1.34 0.00 0.00 175.55 174.46 1u8f s THR 277 N 0.91 0.09 0.00 4.34 -1.32 -0.68 -4.94 115.64 114.03 1u8f s THR 277 Ca -0.07 -0.73 0.00 0.00 -1.21 0.00 0.00 61.69 59.68 1u8f s THR 277 Cb -0.09 -0.54 0.00 0.00 -1.51 0.00 0.00 72.50 70.36 1u8f s THR 277 CO -0.05 -0.40 0.59 -0.62 -2.21 0.00 0.00 174.62 171.93 1u8f n GLU 278 N 1.28 -0.25 -1.57 7.08 1.02 -1.26 -1.64 120.64 125.30 1u8f n GLU 278 Ca -0.22 -0.69 -0.32 0.00 -0.02 0.00 0.00 57.16 55.92 1u8f n GLU 278 Cb 0.56 -1.00 0.06 0.00 -0.02 0.00 0.00 31.44 31.04 1u8f n GLU 278 CO 0.00 0.00 0.00 -1.01 1.18 0.00 0.00 177.13 177.30 1u8f s HIS 279 N -0.19 2.80 -1.44 -0.32 3.76 -1.26 -4.70 115.29 113.94 1u8f s HIS 279 Ca 0.00 1.51 -0.11 0.00 -0.15 0.00 0.00 55.06 56.31 1u8f s HIS 279 Cb 0.00 -3.02 0.05 0.00 1.11 0.00 0.00 32.58 30.72 1u8f s HIS 279 CO 0.00 -1.51 2.33 1.04 -0.85 0.00 0.00 174.74 175.75 1u8f n GLN 280 N -2.96 3.40 -2.18 1.40 1.13 -1.26 -4.82 117.38 112.09 1u8f n GLN 280 Ca 0.09 -2.82 -0.29 0.00 -1.94 0.00 0.00 57.00 52.04 1u8f n GLN 280 Cb 0.53 -3.03 0.02 0.00 0.11 0.00 0.00 30.24 27.87 1u8f n GLN 280 CO 0.00 0.00 0.00 0.14 -1.44 0.00 0.00 177.06 175.76 1u8f s VAL 281 N 1.86 4.38 0.22 5.09 -7.23 -1.26 -5.11 120.40 118.35 1u8f s VAL 281 Ca 0.51 0.47 0.02 0.00 -1.81 0.00 0.00 61.98 61.16 1u8f s VAL 281 Cb 0.14 -3.73 -0.05 0.00 0.56 0.00 0.00 36.38 33.30 1u8f s VAL 281 CO -0.06 -0.86 0.05 0.68 -0.31 0.00 0.00 175.10 174.60 1u8f s VAL 282 N -3.05 0.67 0.25 1.32 -7.23 -1.26 -5.05 120.40 106.04 1u8f s VAL 282 Ca 0.53 -2.00 -0.06 0.00 -1.81 0.00 0.00 61.98 58.64 1u8f s VAL 282 Cb -0.11 -2.41 0.30 0.00 0.56 0.00 0.00 36.38 34.72 1u8f s VAL 282 CO 0.49 -0.21 1.63 0.77 -0.31 0.00 0.00 175.10 177.47 1u8f h SER 283 N 2.51 -0.38 -0.02 4.85 4.64 -1.98 -0.63 113.55 122.53 1u8f h SER 283 Ca -0.38 0.21 0.01 0.00 -0.47 0.00 0.00 61.79 61.16 1u8f h SER 283 Cb 1.23 0.37 -0.00 0.00 -0.31 0.00 0.00 62.40 63.69 1u8f h SER 283 CO 0.62 -0.20 0.11 0.77 -0.87 0.00 0.00 176.83 177.26 1u8f h SER 284 N 0.09 0.00 0.46 4.97 4.64 -1.97 -0.30 113.55 121.44 1u8f h SER 284 Ca 0.43 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.75 1u8f h SER 284 Cb 0.77 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.86 1u8f h SER 284 CO -0.70 0.00 0.00 0.47 -0.87 0.00 0.00 176.83 175.73 1u8f n ASP 285 N -3.18 0.14 -0.84 4.97 8.00 -0.24 -1.72 116.55 123.67 1u8f n ASP 285 Ca -0.02 0.54 0.07 0.00 0.71 0.00 0.00 54.79 56.09 1u8f n ASP 285 Cb 0.18 -0.57 0.21 0.00 -0.02 0.00 0.00 41.12 40.92 1u8f n ASP 285 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 1u8f n PHE 286 N -1.66 0.70 -1.67 1.24 3.72 -0.12 -4.90 117.46 114.77 1u8f n PHE 286 Ca 0.03 -0.58 -0.42 0.00 -0.05 0.00 0.00 57.45 56.42 1u8f n PHE 286 Cb 0.16 -0.10 -0.03 0.00 -0.94 0.00 0.00 39.48 38.56 1u8f n PHE 286 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 176.76 176.80 1u8f n ASN 287 N 0.48 4.14 -0.92 4.37 5.03 -0.70 -1.28 115.26 126.38 1u8f n ASN 287 Ca 0.16 0.92 -0.12 0.00 0.87 0.00 0.00 54.58 56.41 1u8f n ASN 287 Cb 0.58 -1.53 -0.05 0.00 -1.02 0.00 0.00 39.78 37.76 1u8f n ASN 287 CO 0.00 0.00 0.00 -1.20 -1.83 0.00 0.00 177.26 174.23 1u8f n SER 288 N 7.18 -4.68 -4.70 6.41 7.64 -1.26 -4.98 113.62 119.23 1u8f n SER 288 Ca 0.20 0.30 -0.42 0.00 1.01 0.00 0.00 58.87 59.95 1u8f n SER 288 Cb 0.40 -3.24 -0.03 0.00 -1.01 0.00 0.00 64.21 60.33 1u8f n SER 288 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1u8f s ASP 289 N -2.76 7.29 0.00 6.43 -1.08 -0.40 -4.94 116.67 121.20 1u8f s ASP 289 Ca 0.00 1.57 0.29 0.00 -0.52 0.00 0.00 52.55 53.89 1u8f s ASP 289 Cb 0.00 -2.56 1.59 0.00 -1.46 0.00 0.00 42.92 40.50 1u8f s ASP 289 CO 0.00 -0.35 2.04 0.35 0.52 0.00 0.00 175.17 177.73 1u8f n THR 290 N 4.24 0.01 -1.91 1.71 -2.24 -1.26 -3.66 114.28 111.17 1u8f n THR 290 Ca 0.07 -0.05 -0.33 0.00 -2.27 0.00 0.00 64.05 61.46 1u8f n THR 290 Cb 0.50 -0.27 0.03 0.00 -2.10 0.00 0.00 70.33 68.49 1u8f n THR 290 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 1u8f s HIS 291 N -1.99 2.66 -0.14 4.78 3.76 -1.26 -4.50 115.29 118.60 1u8f s HIS 291 Ca 0.42 1.55 0.16 0.00 -0.15 0.00 0.00 55.06 57.04 1u8f s HIS 291 Cb 0.20 -3.19 -0.02 0.00 1.11 0.00 0.00 32.58 30.69 1u8f s HIS 291 CO 0.33 -1.61 1.20 0.77 -0.85 0.00 0.00 174.74 174.58 1u8f h SER 292 N 0.36 0.00 -3.23 1.40 0.02 -1.00 -3.39 113.55 107.70 1u8f h SER 292 Ca -0.48 0.00 0.01 0.00 -0.84 0.00 0.00 61.79 60.49 1u8f h SER 292 Cb 1.25 0.00 -0.22 0.00 0.14 0.00 0.00 62.40 63.57 1u8f h SER 292 CO 0.55 0.53 0.10 -0.55 -1.14 0.00 0.00 176.83 176.32 1u8f s SER 293 N -6.18 -0.83 -0.23 3.07 0.15 -0.74 -3.50 113.70 105.43 1u8f s SER 293 Ca 0.01 1.40 0.00 0.00 0.70 0.00 0.00 55.95 58.07 1u8f s SER 293 Cb 0.08 1.37 0.06 0.00 -1.71 0.00 0.00 66.02 65.82 1u8f s SER 293 CO 0.77 -0.23 -0.03 -0.89 1.20 0.00 0.00 173.24 174.07 1u8f s THR 294 N 1.21 1.32 0.09 6.45 2.01 -0.02 0.10 115.64 126.80 1u8f s THR 294 Ca -0.07 -1.12 -0.31 0.00 0.31 0.00 0.00 61.69 60.51 1u8f s THR 294 Cb -0.05 -1.66 -0.09 0.00 0.01 0.00 0.00 72.50 70.72 1u8f s THR 294 CO -0.13 -0.15 1.67 0.12 -0.69 0.00 0.00 174.62 175.43 1u8f s PHE 295 N 1.49 2.47 -0.61 4.92 5.36 -0.27 -0.86 117.98 130.48 1u8f s PHE 295 Ca -0.04 0.32 -0.15 0.00 -0.96 0.00 0.00 56.93 56.10 1u8f s PHE 295 Cb -0.18 -3.99 0.15 0.00 -0.34 0.00 0.00 43.02 38.66 1u8f s PHE 295 CO -0.07 -3.94 0.55 0.34 -1.46 0.00 0.00 175.22 170.64 1u8f s ASP 296 N 2.27 6.28 0.11 6.13 -1.08 0.11 -1.68 116.67 128.81 1u8f s ASP 296 Ca 0.74 -2.04 -0.21 0.00 -0.52 0.00 0.00 52.55 50.52 1u8f s ASP 296 Cb -0.41 -2.19 -0.08 0.00 -1.46 0.00 0.00 42.92 38.78 1u8f s ASP 296 CO 0.33 -0.77 1.73 0.00 0.52 0.00 0.00 175.17 176.97 1u8f h ALA 297 N 8.55 0.09 0.00 3.66 0.00 -1.60 -3.04 119.26 126.92 1u8f h ALA 297 Ca -0.19 0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.74 1u8f h ALA 297 Cb 1.08 0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.94 1u8f h ALA 297 CO 0.95 -0.47 -0.09 0.78 0.00 0.00 0.00 179.25 180.42 1u8f h GLY 298 N 0.02 0.00 1.90 0.00 0.00 -1.84 -3.23 103.07 99.92 1u8f h GLY 298 Ca 0.05 0.00 -0.21 0.00 0.00 0.00 0.00 47.33 47.18 1u8f h GLY 298 CO -0.10 0.00 -1.03 0.00 0.00 0.00 0.00 176.54 175.41 1u8f h ALA 299 N 1.91 0.42 -2.28 3.60 0.00 -1.91 -3.47 119.26 117.53 1u8f h ALA 299 Ca -0.00 -0.92 -0.44 0.00 0.00 0.00 0.00 54.91 53.54 1u8f h ALA 299 Cb 0.52 -0.09 0.16 0.00 0.00 0.00 0.00 17.79 18.38 1u8f h ALA 299 CO 0.01 1.23 0.23 0.20 0.00 0.00 0.00 179.25 180.92 1u8f s GLY 300 N -4.73 1.59 -0.27 0.00 0.00 -1.21 -4.90 107.32 97.81 1u8f s GLY 300 Ca 0.01 -0.65 -0.24 0.00 0.00 0.00 0.00 44.72 43.84 1u8f s GLY 300 CO 0.81 0.03 0.71 -1.50 0.00 0.00 0.00 173.10 173.16 1u8f s ILE 301 N -3.16 -0.00 -0.05 0.90 2.07 -0.61 -5.02 121.20 115.32 1u8f s ILE 301 Ca 0.67 0.00 0.01 0.00 -1.41 0.00 0.00 60.65 59.92 1u8f s ILE 301 Cb -0.14 -0.99 -0.03 0.00 0.13 0.00 0.00 42.46 41.43 1u8f s ILE 301 CO 0.55 0.00 -0.04 0.00 -1.91 0.00 0.00 174.94 173.55 1u8f s ALA 302 N 0.55 3.13 -0.10 1.50 0.00 -1.26 -0.94 121.76 124.63 1u8f s ALA 302 Ca -0.01 -0.90 -0.11 0.00 0.00 0.00 0.00 51.96 50.93 1u8f s ALA 302 Cb -0.05 -1.30 -0.27 0.00 0.00 0.00 0.00 23.12 21.50 1u8f s ALA 302 CO -0.02 0.60 0.48 1.25 0.00 0.00 0.00 175.76 178.07 1u8f h LEU 303 N 4.94 0.43 0.00 0.00 5.85 -1.66 -3.49 115.31 121.38 1u8f h LEU 303 Ca -0.49 -0.89 -0.07 0.00 0.84 0.00 0.00 57.88 57.27 1u8f h LEU 303 Cb 1.18 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 42.06 1u8f h LEU 303 CO 0.54 1.75 0.11 -0.46 -0.34 0.00 0.00 178.44 180.04 1u8f n ASN 304 N -3.70 -1.42 0.03 1.25 0.23 -1.16 -5.02 115.26 105.47 1u8f n ASN 304 Ca -0.28 -2.17 0.06 0.00 -0.53 0.00 0.00 54.58 51.66 1u8f n ASN 304 Cb 0.99 2.42 0.26 0.00 -2.08 0.00 0.00 39.78 41.37 1u8f n ASN 304 CO 0.00 0.00 0.00 0.47 -0.93 0.00 0.00 177.26 176.80 1u8f n ASP 305 N -1.48 0.14 0.00 0.53 8.00 -1.26 -2.90 116.55 119.57 1u8f n ASP 305 Ca -0.04 0.54 0.00 0.00 0.71 0.00 0.00 54.79 56.00 1u8f n ASP 305 Cb 0.41 -0.57 0.00 0.00 -0.02 0.00 0.00 41.12 40.94 1u8f n ASP 305 CO 0.00 0.00 0.00 1.41 -0.39 0.00 0.00 177.20 178.22 1u8f n HIS 306 N -1.66 0.00 -3.56 1.24 8.25 -1.26 -1.29 115.22 116.94 1u8f n HIS 306 Ca 0.02 -0.25 -0.21 0.00 -0.26 0.00 0.00 57.72 57.01 1u8f n HIS 306 Cb 0.11 -0.03 -0.15 0.00 1.12 0.00 0.00 29.99 31.05 1u8f n HIS 306 CO 0.00 0.00 0.00 0.12 0.64 0.00 0.00 176.34 177.10 1u8f s PHE 307 N -0.50 -0.08 0.06 4.41 5.36 -1.14 -0.68 117.98 125.40 1u8f s PHE 307 Ca 0.00 0.05 -0.00 0.00 -0.96 0.00 0.00 56.93 56.02 1u8f s PHE 307 Cb 0.00 -0.48 -0.04 0.00 -0.34 0.00 0.00 43.02 42.16 1u8f s PHE 307 CO 0.00 -0.53 -0.04 0.14 -1.46 0.00 0.00 175.22 173.33 1u8f s VAL 308 N 2.25 0.32 -0.21 3.12 -7.23 -0.85 -1.49 120.40 116.31 1u8f s VAL 308 Ca 0.05 -1.79 -0.00 0.00 -1.81 0.00 0.00 61.98 58.43 1u8f s VAL 308 Cb -0.15 -1.49 0.02 0.00 0.56 0.00 0.00 36.38 35.32 1u8f s VAL 308 CO -0.10 -0.94 -0.13 -0.75 -0.31 0.00 0.00 175.10 172.86 1u8f s LYS 309 N -3.75 3.01 -0.10 4.82 2.20 -0.12 -1.43 119.74 124.37 1u8f s LYS 309 Ca 0.07 -0.84 0.00 0.00 -0.36 0.00 0.00 55.97 54.85 1u8f s LYS 309 Cb 0.06 -2.77 -0.02 0.00 -1.51 0.00 0.00 37.83 33.59 1u8f s LYS 309 CO -0.08 -0.26 -0.10 -0.51 -0.36 0.00 0.00 175.35 174.04 1u8f s LEU 310 N 1.33 2.97 -0.12 5.43 1.43 0.63 -1.58 118.68 128.76 1u8f s LEU 310 Ca 0.04 -0.16 -0.01 0.00 -1.03 0.00 0.00 54.13 52.97 1u8f s LEU 310 Cb -0.14 -1.65 -0.02 0.00 0.03 0.00 0.00 46.19 44.40 1u8f s LEU 310 CO -0.09 0.27 -0.09 -0.63 0.23 0.00 0.00 176.35 176.04 1u8f s ILE 311 N -0.28 3.42 -0.03 -0.59 -1.09 -1.26 -0.71 121.20 120.65 1u8f s ILE 311 Ca 0.03 -0.55 -0.01 0.00 -2.23 0.00 0.00 60.65 57.90 1u8f s ILE 311 Cb -0.13 -2.44 0.03 0.00 -1.58 0.00 0.00 42.46 38.35 1u8f s ILE 311 CO 0.03 0.53 0.07 -0.55 -1.23 0.00 0.00 174.94 173.79 1u8f s SER 312 N 0.04 0.01 0.27 3.58 0.15 -0.51 -0.71 113.70 116.53 1u8f s SER 312 Ca -0.03 0.12 -0.08 0.00 0.70 0.00 0.00 55.95 56.66 1u8f s SER 312 Cb -0.14 0.02 -0.06 0.00 -1.71 0.00 0.00 66.02 64.12 1u8f s SER 312 CO 0.04 -0.13 0.58 0.26 1.20 0.00 0.00 173.24 175.19 1u8f s TRP 313 N 1.05 3.45 -0.23 3.44 0.52 -0.04 0.20 118.94 127.33 1u8f s TRP 313 Ca -0.09 0.82 -0.12 0.00 0.02 0.00 0.00 56.10 56.74 1u8f s TRP 313 Cb -0.12 -2.24 0.08 0.00 -1.15 0.00 0.00 33.47 30.04 1u8f s TRP 313 CO -0.04 0.19 0.56 1.52 0.02 0.00 0.00 176.95 179.20 1u8f s TYR 314 N -1.98 -0.89 -0.75 -1.98 -0.85 -0.34 -0.84 117.35 109.71 1u8f s TYR 314 Ca 0.47 1.78 -0.27 0.00 -0.52 0.00 0.00 57.07 58.53 1u8f s TYR 314 Cb -0.11 0.48 0.03 0.00 0.38 0.00 0.00 41.96 42.75 1u8f s TYR 314 CO 0.25 -0.47 1.31 0.34 -1.52 0.00 0.00 175.55 175.46 1u8f s ASP 315 N 1.74 6.15 0.55 -0.18 -1.08 -1.26 -0.60 116.67 121.99 1u8f s ASP 315 Ca -0.09 -0.48 0.32 0.00 -0.52 0.00 0.00 52.55 51.78 1u8f s ASP 315 Cb -0.07 -2.56 1.73 0.00 -1.46 0.00 0.00 42.92 40.56 1u8f s ASP 315 CO -0.17 -1.84 1.96 -0.55 0.52 0.00 0.00 175.17 175.10 1u8f h ASN 316 N 10.18 0.00 0.00 -0.34 -1.07 -1.90 -1.70 115.58 120.75 1u8f h ASN 316 Ca -0.25 0.00 -0.27 0.00 0.07 0.00 0.00 56.30 55.85 1u8f h ASN 316 Cb 1.05 0.00 -0.04 0.00 -2.07 0.00 0.00 38.32 37.26 1u8f h ASN 316 CO 1.29 0.00 -1.72 -0.62 0.07 0.00 0.00 177.43 176.45 1u8f n GLU 317 N -2.73 0.56 -0.05 4.14 1.02 -1.26 -4.43 120.64 117.89 1u8f n GLU 317 Ca -0.02 0.36 -0.14 0.00 -0.02 0.00 0.00 57.16 57.33 1u8f n GLU 317 Cb 0.18 -1.56 -0.08 0.00 -0.02 0.00 0.00 31.44 29.96 1u8f n GLU 317 CO 0.00 0.00 0.00 0.35 1.18 0.00 0.00 177.13 178.66 1u8f h PHE 318 N -1.00 0.56 0.07 -0.32 3.04 -1.84 -2.67 116.94 114.78 1u8f h PHE 318 Ca -0.41 -0.21 -0.00 0.00 3.98 0.00 0.00 57.97 61.33 1u8f h PHE 318 Cb 1.30 -0.10 0.00 0.00 2.56 0.00 0.00 35.95 39.71 1u8f h PHE 318 CO -0.12 0.92 -0.03 0.78 -2.02 0.00 0.00 178.31 177.84 1u8f h GLY 319 N 0.04 -0.09 0.90 2.40 0.00 -1.38 -2.34 103.07 102.59 1u8f h GLY 319 Ca -0.00 0.03 0.02 0.00 0.00 0.00 0.00 47.33 47.38 1u8f h GLY 319 CO 0.07 -0.03 0.30 -1.82 0.00 0.00 0.00 176.54 175.05 1u8f h TYR 320 N -0.23 0.57 -0.91 5.60 3.20 -1.71 -1.35 116.97 122.13 1u8f h TYR 320 Ca -0.01 0.02 0.02 0.00 3.14 0.00 0.00 58.73 61.90 1u8f h TYR 320 Cb 0.20 -0.18 -0.05 0.00 1.54 0.00 0.00 36.73 38.24 1u8f h TYR 320 CO -0.03 0.33 0.60 0.77 -1.64 0.00 0.00 178.16 178.20 1u8f h SER 321 N 0.60 1.02 0.35 -2.11 0.02 -1.43 -1.14 113.55 110.86 1u8f h SER 321 Ca 0.20 -0.02 -0.12 0.00 -0.84 0.00 0.00 61.79 61.01 1u8f h SER 321 Cb 0.01 -0.25 -0.01 0.00 0.14 0.00 0.00 62.40 62.29 1u8f h SER 321 CO -0.08 0.72 -0.49 0.78 -1.14 0.00 0.00 176.83 176.61 1u8f h ASN 322 N 1.19 0.18 0.06 3.07 2.35 -0.87 -2.87 115.58 118.70 1u8f h ASN 322 Ca 0.35 -0.09 -0.12 0.00 -0.55 0.00 0.00 56.30 55.89 1u8f h ASN 322 Cb -0.07 -0.05 -0.01 0.00 0.05 0.00 0.00 38.32 38.24 1u8f h ASN 322 CO -0.09 0.65 -0.39 0.03 -1.65 0.00 0.00 177.43 175.98 1u8f h ARG 323 N 0.14 0.43 -0.62 0.81 2.47 -0.14 -0.23 114.38 117.24 1u8f h ARG 323 Ca 0.00 -0.21 -0.01 0.00 -1.26 0.00 0.00 59.98 58.51 1u8f h ARG 323 Cb 0.92 -0.00 -0.03 0.00 -1.65 0.00 0.00 29.97 29.21 1u8f h ARG 323 CO 0.07 0.76 0.35 0.28 0.56 0.00 0.00 179.97 181.99 1u8f h VAL 324 N 0.36 1.19 -0.42 2.04 2.07 -1.05 0.26 116.25 120.70 1u8f h VAL 324 Ca 0.03 -0.48 -0.08 0.00 0.82 0.00 0.00 66.70 67.00 1u8f h VAL 324 Cb 0.85 0.38 -0.01 0.00 -1.52 0.00 0.00 31.29 30.98 1u8f h VAL 324 CO 0.07 0.21 -0.03 0.58 0.02 0.00 0.00 177.57 178.42 1u8f h VAL 325 N 0.84 1.27 -0.81 2.57 2.07 -1.32 -2.10 116.25 118.77 1u8f h VAL 325 Ca 0.22 -1.08 -0.02 0.00 0.82 0.00 0.00 66.70 66.64 1u8f h VAL 325 Cb 0.03 1.12 -0.04 0.00 -1.52 0.00 0.00 31.29 30.87 1u8f h VAL 325 CO -0.04 0.37 0.42 0.44 0.02 0.00 0.00 177.57 178.78 1u8f h ASP 326 N 0.60 1.02 -0.43 0.57 3.32 -0.53 -0.65 116.42 120.32 1u8f h ASP 326 Ca 0.12 -0.10 -0.04 0.00 0.02 0.00 0.00 57.03 57.03 1u8f h ASP 326 Cb 0.53 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 39.80 1u8f h ASP 326 CO 0.03 0.83 0.11 0.25 -1.72 0.00 0.00 179.24 178.74 1u8f h LEU 327 N 1.13 0.64 -0.98 1.55 5.85 -0.33 -0.98 115.31 122.19 1u8f h LEU 327 Ca 0.28 -0.23 -0.08 0.00 0.84 0.00 0.00 57.88 58.70 1u8f h LEU 327 Cb 0.06 -0.17 -0.02 0.00 0.37 0.00 0.00 40.66 40.90 1u8f h LEU 327 CO -0.04 0.70 -0.09 0.24 -0.34 0.00 0.00 178.44 178.91 1u8f h MET 328 N 0.55 0.64 -0.56 1.25 2.86 -1.00 0.72 114.93 119.38 1u8f h MET 328 Ca 0.13 -0.19 -0.07 0.00 -2.06 0.00 0.00 59.70 57.52 1u8f h MET 328 Cb 0.30 -0.07 -0.02 0.00 0.06 0.00 0.00 31.60 31.87 1u8f h MET 328 CO 0.00 0.72 0.07 0.00 1.06 0.00 0.00 176.91 178.76 1u8f h ALA 329 N 1.32 1.06 -0.29 6.32 0.00 -0.83 -0.15 119.26 126.69 1u8f h ALA 329 Ca 0.11 -0.25 -0.15 0.00 0.00 0.00 0.00 54.91 54.61 1u8f h ALA 329 Cb 0.50 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 18.07 1u8f h ALA 329 CO 0.03 0.60 -0.41 1.25 0.00 0.00 0.00 179.25 180.72 1u8f h HIS 330 N 0.86 0.98 -0.75 0.00 6.17 -0.58 -2.64 115.15 119.18 1u8f h HIS 330 Ca 0.17 -0.32 0.02 0.00 0.71 0.00 0.00 60.37 60.95 1u8f h HIS 330 Cb 0.41 -0.19 -0.04 0.00 2.52 0.00 0.00 27.41 30.10 1u8f h HIS 330 CO 0.03 1.12 0.49 0.52 0.71 0.00 0.00 177.93 180.79 1u8f h MET 331 N 0.56 0.94 -0.72 5.26 2.86 -0.54 -2.26 114.93 121.03 1u8f h MET 331 Ca 0.03 -0.06 -0.00 0.00 -2.06 0.00 0.00 59.70 57.61 1u8f h MET 331 Cb 1.01 -0.21 -0.04 0.00 0.06 0.00 0.00 31.60 32.42 1u8f h MET 331 CO 0.10 0.62 0.44 0.00 1.06 0.00 0.00 176.91 179.13 1u8f h ALA 332 N 1.30 1.42 0.00 6.32 0.00 -0.92 -1.44 119.26 125.94 1u8f h ALA 332 Ca 0.29 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.12 1u8f h ALA 332 Cb -0.05 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 17.45 1u8f h ALA 332 CO -0.09 0.51 0.00 0.66 0.00 0.00 0.00 179.25 180.33 1u8f h SER 333 N 0.99 0.00 0.18 0.00 4.64 -1.04 -2.60 113.55 115.72 1u8f h SER 333 Ca 0.26 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.58 1u8f h SER 333 Cb -0.05 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.04 1u8f h SER 333 CO -0.05 0.00 -0.49 0.29 -0.87 0.00 0.00 176.83 175.71 1u8f n LYS 334 N -2.37 0.64 0.00 4.77 4.76 -0.55 -5.12 118.16 120.29 1u8f n LYS 334 Ca 0.02 -0.45 0.04 0.00 -2.87 0.00 0.00 58.31 55.05 1u8f n LYS 334 Cb 0.25 -1.49 0.24 0.00 -1.84 0.00 0.00 35.03 32.18 1u8f n LYS 334 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42