#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 3.10 -0.06 3.15 0.11 -1.26 -4.78 120.40 120.66 1u8f s VAL 4 Ca 0.00 0.98 -0.20 0.00 -2.93 0.00 0.00 61.98 59.82 1u8f s VAL 4 Cb 0.00 -3.62 -0.04 0.00 -1.53 0.00 0.00 36.38 31.18 1u8f s VAL 4 CO 0.00 0.18 0.58 -0.54 -3.33 0.00 0.00 175.10 172.00 1u8f s LYS 5 N -0.77 4.35 0.08 1.54 1.02 -1.26 -1.66 119.74 123.04 1u8f s LYS 5 Ca 0.53 0.68 0.10 0.00 0.02 0.00 0.00 55.97 57.29 1u8f s LYS 5 Cb -0.37 -3.40 -0.03 0.00 -0.52 0.00 0.00 37.83 33.51 1u8f s LYS 5 CO 0.43 0.22 -0.25 0.08 -0.92 0.00 0.00 175.35 174.91 1u8f s VAL 6 N 0.34 2.35 0.05 3.17 1.01 0.16 -0.53 120.40 126.94 1u8f s VAL 6 Ca 0.31 -1.51 0.08 0.00 0.00 0.00 0.00 61.98 60.86 1u8f s VAL 6 Cb -0.17 -1.99 -0.03 0.00 0.00 0.00 0.00 36.38 34.19 1u8f s VAL 6 CO 0.15 0.23 -0.21 -0.83 0.00 0.00 0.00 175.10 174.45 1u8f s GLY 7 N -1.66 1.53 -0.14 4.51 0.00 0.84 -0.32 107.32 112.07 1u8f s GLY 7 Ca 0.14 -1.23 0.02 0.00 0.00 0.00 0.00 44.72 43.65 1u8f s GLY 7 CO 0.05 -1.12 -0.21 0.14 0.00 0.00 0.00 173.10 171.96 1u8f s VAL 8 N -0.90 2.20 -0.33 1.40 1.01 0.06 -0.12 120.40 123.72 1u8f s VAL 8 Ca 0.14 -0.94 -0.08 0.00 0.00 0.00 0.00 61.98 61.11 1u8f s VAL 8 Cb -0.10 -1.89 0.03 0.00 0.00 0.00 0.00 36.38 34.42 1u8f s VAL 8 CO 0.04 0.54 0.12 0.21 0.00 0.00 0.00 175.10 176.02 1u8f s ASN 9 N 0.76 5.36 0.00 3.32 2.47 0.42 -0.67 114.94 126.61 1u8f s ASN 9 Ca -0.08 -0.99 0.00 0.00 0.42 0.00 0.00 52.86 52.21 1u8f s ASN 9 Cb -0.16 -1.91 0.00 0.00 -1.45 0.00 0.00 41.25 37.74 1u8f s ASN 9 CO -0.00 -0.30 0.00 0.61 -3.72 0.00 0.00 177.10 173.68 1u8f n GLY 10 N 4.87 -0.03 2.50 1.21 0.00 -0.18 -1.15 105.19 112.41 1u8f n GLY 10 Ca -0.13 -0.78 -0.37 0.00 0.00 0.00 0.00 46.02 44.74 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 0.52 2.40 -0.86 1.61 7.35 -1.26 -3.85 117.46 123.37 1u8f n PHE 11 Ca 0.00 -2.62 0.00 0.00 -0.76 0.00 0.00 57.45 54.07 1u8f n PHE 11 Cb 0.00 -1.69 0.00 0.00 0.35 0.00 0.00 39.48 38.14 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 1.40 1.90 0.24 7.13 0.00 -1.26 -4.45 105.19 110.15 1u8f n GLY 12 Ca 0.59 -1.88 -0.12 0.00 0.00 0.00 0.00 46.02 44.61 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 -0.37 -0.16 1.61 2.47 -1.93 0.42 114.38 116.42 1u8f h ARG 13 Ca 0.00 0.03 -0.11 0.00 -1.26 0.00 0.00 59.98 58.64 1u8f h ARG 13 Cb 0.00 0.08 0.00 0.00 -1.65 0.00 0.00 29.97 28.41 1u8f h ARG 13 CO 0.00 -0.25 -0.32 0.82 0.56 0.00 0.00 179.97 180.78 1u8f h ILE 14 N -0.38 1.35 -0.31 2.04 1.08 -1.90 -1.67 117.51 117.72 1u8f h ILE 14 Ca 0.03 -1.58 0.05 0.00 -0.39 0.00 0.00 64.86 62.97 1u8f h ILE 14 Cb 0.41 1.96 -0.05 0.00 -3.07 0.00 0.00 36.82 36.07 1u8f h ILE 14 CO -0.12 0.48 0.01 1.23 -0.69 0.00 0.00 178.15 179.06 1u8f h GLY 15 N 0.13 0.31 1.51 5.37 0.00 -1.63 0.32 103.07 109.08 1u8f h GLY 15 Ca 0.00 0.03 -0.16 0.00 0.00 0.00 0.00 47.33 47.20 1u8f h GLY 15 CO 0.07 -0.06 -0.57 3.21 0.00 0.00 0.00 176.54 179.19 1u8f h ARG 16 N 0.10 0.52 0.00 4.80 3.08 -0.20 -2.32 114.38 120.36 1u8f h ARG 16 Ca 0.15 -0.33 -0.13 0.00 0.07 0.00 0.00 59.98 59.74 1u8f h ARG 16 Cb 0.20 0.04 -0.02 0.00 0.08 0.00 0.00 29.97 30.27 1u8f h ARG 16 CO -0.24 0.94 -0.60 -0.07 -1.07 0.00 0.00 179.97 178.92 1u8f h LEU 17 N 0.39 0.00 -0.46 3.04 3.38 -0.99 -0.20 115.31 120.47 1u8f h LEU 17 Ca 0.00 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 57.81 1u8f h LEU 17 Cb 1.11 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.85 1u8f h LEU 17 CO 0.10 0.60 -0.47 0.58 0.09 0.00 0.00 178.44 179.35 1u8f h VAL 18 N 0.00 1.29 -0.42 1.22 2.07 -0.34 0.12 116.25 120.19 1u8f h VAL 18 Ca -0.01 -1.66 -0.06 0.00 0.82 0.00 0.00 66.70 65.79 1u8f h VAL 18 Cb 1.28 1.57 -0.02 0.00 -1.52 0.00 0.00 31.29 32.61 1u8f h VAL 18 CO 0.08 0.54 0.03 0.74 0.02 0.00 0.00 177.57 178.97 1u8f h THR 19 N 0.59 1.25 -0.65 2.57 2.02 -1.16 0.88 112.91 118.42 1u8f h THR 19 Ca 0.03 -0.97 -0.04 0.00 0.77 0.00 0.00 66.41 66.20 1u8f h THR 19 Cb 1.03 1.06 -0.03 0.00 -1.74 0.00 0.00 68.15 68.47 1u8f h THR 19 CO 0.10 0.33 0.25 -0.09 0.37 0.00 0.00 175.52 176.48 1u8f h ARG 20 N 0.57 0.97 -0.44 6.66 2.43 -0.82 -2.19 114.38 121.57 1u8f h ARG 20 Ca 0.12 -0.18 -0.09 0.00 -0.81 0.00 0.00 59.98 59.02 1u8f h ARG 20 Cb 0.45 -0.15 -0.02 0.00 -0.42 0.00 0.00 29.97 29.82 1u8f h ARG 20 CO 0.02 0.82 -0.11 0.00 -1.51 0.00 0.00 179.97 179.19 1u8f h ALA 21 N 1.10 0.98 -0.30 2.80 0.00 -0.48 -2.30 119.26 121.06 1u8f h ALA 21 Ca 0.21 -0.32 -0.05 0.00 0.00 0.00 0.00 54.91 54.76 1u8f h ALA 21 Cb 0.22 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 1u8f h ALA 21 CO -0.02 0.61 0.00 0.00 0.00 0.00 0.00 179.25 179.84 1u8f h ALA 22 N 1.16 0.40 0.00 0.00 0.00 -0.55 -2.71 119.26 117.56 1u8f h ALA 22 Ca 0.12 -0.23 -0.07 0.00 0.00 0.00 0.00 54.91 54.73 1u8f h ALA 22 Cb 0.59 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 1u8f h ALA 22 CO 0.04 0.15 -0.34 0.74 0.00 0.00 0.00 179.25 179.84 1u8f h PHE 23 N 0.32 0.00 -0.10 0.00 0.04 -1.36 0.21 116.94 116.05 1u8f h PHE 23 Ca 0.09 0.00 -0.08 0.00 2.80 0.00 0.00 57.97 60.77 1u8f h PHE 23 Cb 0.43 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.58 1u8f h PHE 23 CO 0.04 0.34 -0.25 -0.97 -0.60 0.00 0.00 178.31 176.86 1u8f h ASN 24 N 0.00 0.39 0.72 2.17 -1.24 -1.30 -3.33 115.58 113.00 1u8f h ASN 24 Ca -0.00 -0.59 -0.17 0.00 0.71 0.00 0.00 56.30 56.25 1u8f h ASN 24 Cb 0.81 -0.11 -0.03 0.00 0.73 0.00 0.00 38.32 39.72 1u8f h ASN 24 CO 0.04 0.91 -1.39 0.77 -1.29 0.00 0.00 177.43 176.47 1u8f h SER 25 N -0.10 0.00 -0.38 1.15 4.64 -1.49 -3.48 113.55 113.89 1u8f h SER 25 Ca -0.00 0.00 -0.16 0.00 -0.47 0.00 0.00 61.79 61.15 1u8f h SER 25 Cb 0.86 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 62.88 1u8f h SER 25 CO 0.05 0.59 -0.15 0.61 -0.87 0.00 0.00 176.83 177.06 1u8f n GLY 26 N 1.39 0.93 0.23 -0.77 0.00 0.72 -4.86 105.19 102.82 1u8f n GLY 26 Ca -0.09 -0.28 0.09 0.00 0.00 0.00 0.00 46.02 45.74 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 0.15 0.00 -4.13 1.61 1.57 -1.90 -3.41 116.57 110.46 1u8f h LYS 27 Ca -0.16 0.00 -0.12 0.00 -1.87 0.00 0.00 60.65 58.50 1u8f h LYS 27 Cb 0.74 0.00 -0.15 0.00 0.08 0.00 0.00 32.23 32.90 1u8f h LYS 27 CO 0.24 0.23 -0.62 0.14 -0.57 0.00 0.00 179.45 178.87 1u8f s VAL 28 N -3.89 0.20 -0.27 0.50 -7.23 -1.26 -3.70 120.40 104.74 1u8f s VAL 28 Ca -0.01 -1.63 -0.02 0.00 -1.81 0.00 0.00 61.98 58.51 1u8f s VAL 28 Cb 0.12 -1.41 0.03 0.00 0.56 0.00 0.00 36.38 35.68 1u8f s VAL 28 CO 0.64 -0.90 -0.02 -1.81 -0.31 0.00 0.00 175.10 172.70 1u8f s ASP 29 N -2.81 4.62 -0.09 4.85 1.01 -0.67 -4.68 116.67 118.90 1u8f s ASP 29 Ca 0.05 -0.98 -0.30 0.00 0.71 0.00 0.00 52.55 52.04 1u8f s ASP 29 Cb 0.06 -1.71 -0.03 0.00 1.01 0.00 0.00 42.92 42.26 1u8f s ASP 29 CO -0.10 -0.18 1.22 -0.63 0.21 0.00 0.00 175.17 175.69 1u8f s ILE 30 N 1.33 4.27 0.00 0.77 -1.09 -1.26 0.40 121.20 125.62 1u8f s ILE 30 Ca -0.01 1.58 0.00 0.00 -2.23 0.00 0.00 60.65 59.99 1u8f s ILE 30 Cb -0.18 -4.02 0.00 0.00 -1.58 0.00 0.00 42.46 36.69 1u8f s ILE 30 CO -0.02 -0.05 0.04 1.33 -1.23 0.00 0.00 174.94 175.01 1u8f n VAL 31 N 4.86 0.00 -3.63 2.92 0.24 0.56 -4.82 118.33 118.46 1u8f n VAL 31 Ca 0.12 -0.48 -0.15 0.00 -2.04 0.00 0.00 64.34 61.79 1u8f n VAL 31 Cb 0.46 1.00 -0.07 0.00 -1.47 0.00 0.00 33.84 33.76 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 -0.87 -1.41 -0.01 2.33 0.00 -1.16 -1.22 121.76 119.43 1u8f s ALA 32 Ca 0.00 1.16 0.00 0.00 0.00 0.00 0.00 51.96 53.12 1u8f s ALA 32 Cb 0.00 -0.27 0.01 0.00 0.00 0.00 0.00 23.12 22.86 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 -0.77 0.09 -0.09 0.00 1.01 -0.30 -0.76 121.20 120.38 1u8f s ILE 33 Ca -0.08 0.01 0.03 0.00 0.00 0.00 0.00 60.65 60.61 1u8f s ILE 33 Cb -0.03 -0.12 0.01 0.00 0.01 0.00 0.00 42.46 42.33 1u8f s ILE 33 CO 0.06 0.06 -0.17 0.21 0.00 0.00 0.00 174.94 175.09 1u8f s ASN 34 N 0.31 2.37 -0.30 3.58 2.47 0.16 -0.52 114.94 123.02 1u8f s ASN 34 Ca -0.03 -0.42 -0.03 0.00 0.42 0.00 0.00 52.86 52.80 1u8f s ASN 34 Cb -0.05 -1.09 0.19 0.00 -1.45 0.00 0.00 41.25 38.86 1u8f s ASN 34 CO -0.01 0.07 0.79 -0.62 -3.72 0.00 0.00 177.10 173.61 1u8f s ASP 35 N 0.63 -1.06 0.00 -4.21 -1.08 -0.97 -1.01 116.67 108.96 1u8f s ASP 35 Ca -0.14 0.33 0.14 0.00 -0.52 0.00 0.00 52.55 52.36 1u8f s ASP 35 Cb -0.16 1.76 0.64 0.00 -1.46 0.00 0.00 42.92 43.70 1u8f s ASP 35 CO 0.04 -0.20 1.42 -0.81 0.52 0.00 0.00 175.17 176.15 1u8f n PRO 36 N 5.36 0.08 -0.19 4.34 -0.04 -1.26 -2.53 135.00 140.76 1u8f n PRO 36 Ca 0.02 0.22 0.10 0.00 -0.04 0.00 0.00 63.50 63.80 1u8f n PRO 36 Cb 0.54 -1.50 0.20 0.00 -0.04 0.00 0.00 33.50 32.70 1u8f n PRO 36 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 1u8f n PHE 37 N -1.41 0.51 -3.48 0.54 3.72 -1.26 -4.82 117.46 111.26 1u8f n PHE 37 Ca 0.05 -0.29 -0.19 0.00 -0.05 0.00 0.00 57.45 56.96 1u8f n PHE 37 Cb 0.14 -0.00 -0.12 0.00 -0.94 0.00 0.00 39.48 38.55 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 -1.30 -0.31 0.97 4.37 1.01 -1.05 -5.10 121.20 119.79 1u8f s ILE 38 Ca 0.35 -0.29 -0.15 0.00 0.00 0.00 0.00 60.65 60.57 1u8f s ILE 38 Cb 0.20 -0.79 0.18 0.00 0.01 0.00 0.00 42.46 42.06 1u8f s ILE 38 CO 0.28 -0.34 1.20 1.51 0.00 0.00 0.00 174.94 177.59 1u8f s ASP 39 N 2.30 3.04 0.16 3.58 1.47 -1.26 -4.69 116.67 121.28 1u8f s ASP 39 Ca 0.08 0.65 -0.23 0.00 1.18 0.00 0.00 52.55 54.22 1u8f s ASP 39 Cb -0.15 -0.97 0.04 0.00 -0.34 0.00 0.00 42.92 41.50 1u8f s ASP 39 CO -0.20 -2.81 1.60 0.25 0.68 0.00 0.00 175.17 174.69 1u8f h LEU 40 N -1.68 -1.02 -1.41 2.11 5.85 -1.96 0.63 115.31 117.82 1u8f h LEU 40 Ca -0.47 0.18 -0.04 0.00 0.84 0.00 0.00 57.88 58.38 1u8f h LEU 40 Cb 1.29 0.47 -0.01 0.00 0.37 0.00 0.00 40.66 42.78 1u8f h LEU 40 CO 0.49 -0.32 -0.08 0.78 -0.34 0.00 0.00 178.44 178.97 1u8f h ASN 41 N -0.28 0.27 0.15 1.25 2.35 -1.99 -2.29 115.58 115.05 1u8f h ASN 41 Ca 0.15 -0.05 -0.18 0.00 -0.55 0.00 0.00 56.30 55.68 1u8f h ASN 41 Cb 0.53 -0.07 -0.00 0.00 0.05 0.00 0.00 38.32 38.82 1u8f h ASN 41 CO -0.48 0.39 -0.68 0.22 -1.65 0.00 0.00 177.43 175.23 1u8f h TYR 42 N 0.28 0.64 -0.69 1.19 3.20 -1.70 -3.06 116.97 116.83 1u8f h TYR 42 Ca 0.06 -0.26 -0.01 0.00 3.14 0.00 0.00 58.73 61.66 1u8f h TYR 42 Cb 0.32 -0.11 -0.03 0.00 1.54 0.00 0.00 36.73 38.45 1u8f h TYR 42 CO 0.01 1.02 0.39 0.52 -1.64 0.00 0.00 178.16 178.46 1u8f h MET 43 N 0.35 0.94 -0.02 1.82 2.86 -0.34 -0.55 114.93 119.99 1u8f h MET 43 Ca -0.02 -0.09 0.02 0.00 -2.06 0.00 0.00 59.70 57.55 1u8f h MET 43 Cb 1.24 -0.19 -0.02 0.00 0.06 0.00 0.00 31.60 32.68 1u8f h MET 43 CO 0.12 0.68 -0.10 0.28 1.06 0.00 0.00 176.91 178.95 1u8f h VAL 44 N 0.95 0.74 -0.21 -2.22 2.07 -1.38 -0.26 116.25 115.93 1u8f h VAL 44 Ca 0.25 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.76 1u8f h VAL 44 Cb -0.00 0.74 -0.01 0.00 -1.52 0.00 0.00 31.29 30.49 1u8f h VAL 44 CO -0.04 0.00 0.11 0.22 0.02 0.00 0.00 177.57 177.88 1u8f h TYR 45 N -0.16 0.30 -0.13 1.57 5.03 -1.39 0.43 116.97 122.60 1u8f h TYR 45 Ca 0.05 -0.01 -0.05 0.00 2.58 0.00 0.00 58.73 61.30 1u8f h TYR 45 Cb 0.22 -0.09 -0.01 0.00 1.55 0.00 0.00 36.73 38.40 1u8f h TYR 45 CO -0.17 0.29 -0.14 0.52 -1.32 0.00 0.00 178.16 177.33 1u8f h MET 46 N 0.22 0.21 0.13 1.82 2.86 -0.91 -2.02 114.93 117.25 1u8f h MET 46 Ca 0.07 -0.05 -0.30 0.00 -2.06 0.00 0.00 59.70 57.37 1u8f h MET 46 Cb 0.09 -0.03 0.00 0.00 0.06 0.00 0.00 31.60 31.73 1u8f h MET 46 CO -0.01 0.36 -1.41 0.35 1.06 0.00 0.00 176.91 177.26 1u8f h PHE 47 N 0.20 0.51 -0.45 -0.22 3.04 -0.89 -3.36 116.94 115.77 1u8f h PHE 47 Ca 0.04 -0.37 -0.09 0.00 3.98 0.00 0.00 57.97 61.52 1u8f h PHE 47 Cb 0.38 -0.02 -0.01 0.00 2.56 0.00 0.00 35.95 38.85 1u8f h PHE 47 CO 0.01 1.36 -0.08 0.37 -2.02 0.00 0.00 178.31 177.94 1u8f h GLN 48 N 0.08 0.85 -5.70 1.11 4.15 -0.70 -3.39 115.11 111.52 1u8f h GLN 48 Ca -0.20 -0.32 -0.67 0.00 0.77 0.00 0.00 58.65 58.24 1u8f h GLN 48 Cb 2.01 -0.05 -0.24 0.00 0.21 0.00 0.00 27.48 29.41 1u8f h GLN 48 CO 0.19 0.95 -0.74 0.71 -1.93 0.00 0.00 178.83 178.01 1u8f s TYR 49 N -4.84 2.84 -0.09 3.99 2.02 -0.78 -0.98 117.35 119.51 1u8f s TYR 49 Ca -0.12 -0.35 -0.03 0.00 -0.37 0.00 0.00 57.07 56.19 1u8f s TYR 49 Cb 0.11 -1.79 0.05 0.00 -0.40 0.00 0.00 41.96 39.93 1u8f s TYR 49 CO 0.83 0.01 0.13 0.34 -1.57 0.00 0.00 175.55 175.29 1u8f s ASP 50 N -0.11 1.10 0.43 2.29 -1.08 -1.23 -4.70 116.67 113.37 1u8f s ASP 50 Ca -0.00 0.10 0.11 0.00 -0.52 0.00 0.00 52.55 52.24 1u8f s ASP 50 Cb -0.13 0.10 0.98 0.00 -1.46 0.00 0.00 42.92 42.40 1u8f s ASP 50 CO 0.03 -0.27 2.04 0.28 0.52 0.00 0.00 175.17 177.78 1u8f h SER 51 N 8.39 0.37 0.07 -0.34 0.02 -1.97 -0.87 113.55 119.22 1u8f h SER 51 Ca -0.13 -0.00 -0.31 0.00 -0.84 0.00 0.00 61.79 60.51 1u8f h SER 51 Cb 1.12 -0.08 -0.02 0.00 0.14 0.00 0.00 62.40 63.56 1u8f h SER 51 CO 0.17 0.25 -1.66 0.74 -1.14 0.00 0.00 176.83 175.19 1u8f h THR 52 N 0.43 0.76 -0.38 -2.27 2.02 -1.97 -3.41 112.91 108.09 1u8f h THR 52 Ca 0.18 -2.28 0.00 0.00 0.77 0.00 0.00 66.41 65.08 1u8f h THR 52 Cb 0.17 2.39 0.00 0.00 -1.74 0.00 0.00 68.15 68.96 1u8f h THR 52 CO -0.04 0.64 0.00 1.41 0.37 0.00 0.00 175.52 177.90 1u8f n HIS 53 N -3.91 0.50 0.00 3.16 8.25 -1.23 -4.91 115.22 117.08 1u8f n HIS 53 Ca -0.32 -0.41 0.00 0.00 -0.26 0.00 0.00 57.72 56.73 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 0.82 -1.72 3.76 -1.41 0.00 -0.33 -4.91 105.19 101.39 1u8f n GLY 54 Ca 0.14 -1.52 -0.39 0.00 0.00 0.00 0.00 46.02 44.25 1u8f n GLY 54 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1u8f s LYS 55 N -1.73 3.41 0.28 1.61 1.02 -1.26 -3.58 119.74 119.50 1u8f s LYS 55 Ca 0.00 2.31 -0.30 0.00 0.02 0.00 0.00 55.97 58.00 1u8f s LYS 55 Cb 0.00 -2.45 -0.11 0.00 -0.52 0.00 0.00 37.83 34.75 1u8f s LYS 55 CO 0.00 -1.00 1.59 0.12 -0.92 0.00 0.00 175.35 175.14 1u8f s PHE 56 N -1.26 2.80 0.13 3.18 5.36 -0.15 -4.90 117.98 123.13 1u8f s PHE 56 Ca 0.66 0.77 0.19 0.00 -0.96 0.00 0.00 56.93 57.59 1u8f s PHE 56 Cb -0.42 -4.05 0.64 0.00 -0.34 0.00 0.00 43.02 38.86 1u8f s PHE 56 CO 0.51 -3.55 1.71 1.25 -1.46 0.00 0.00 175.22 173.69 1u8f h HIS 57 N 5.06 0.00 -0.29 10.12 -0.00 -1.92 -3.45 115.15 124.67 1u8f h HIS 57 Ca -0.46 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 59.91 1u8f h HIS 57 Cb 1.22 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 28.63 1u8f h HIS 57 CO 0.59 0.37 0.00 0.41 -0.00 0.00 0.00 177.93 179.31 1u8f n GLY 58 N 0.32 1.70 3.43 5.26 0.00 -1.26 -5.11 105.19 109.54 1u8f n GLY 58 Ca 0.00 -1.72 -0.31 0.00 0.00 0.00 0.00 46.02 43.99 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 3.42 2.68 -0.12 2.61 -4.23 -1.26 -4.99 115.64 113.75 1u8f s THR 59 Ca 0.00 -1.17 -0.05 0.00 -1.18 0.00 0.00 61.69 59.29 1u8f s THR 59 Cb 0.00 -2.10 0.05 0.00 1.34 0.00 0.00 72.50 71.79 1u8f s THR 59 CO 0.00 0.38 0.26 0.54 -0.54 0.00 0.00 174.62 175.26 1u8f s VAL 60 N -0.87 -0.21 0.20 2.29 0.11 -1.26 -0.88 120.40 119.79 1u8f s VAL 60 Ca 0.14 0.21 -0.15 0.00 -2.93 0.00 0.00 61.98 59.24 1u8f s VAL 60 Cb -0.10 -0.42 0.01 0.00 -1.53 0.00 0.00 36.38 34.34 1u8f s VAL 60 CO 0.04 0.09 0.48 -1.59 -3.33 0.00 0.00 175.10 170.78 1u8f s LYS 61 N 1.79 1.39 -0.25 1.54 -2.85 -0.57 -5.00 119.74 115.80 1u8f s LYS 61 Ca -0.05 -1.01 -0.11 0.00 -1.00 0.00 0.00 55.97 53.81 1u8f s LYS 61 Cb -0.11 0.49 -0.05 0.00 -2.06 0.00 0.00 37.83 36.10 1u8f s LYS 61 CO -0.09 -0.58 0.17 0.00 0.10 0.00 0.00 175.35 174.96 1u8f s ALA 62 N -3.92 3.60 -0.09 0.59 0.00 -1.26 -0.34 121.76 120.33 1u8f s ALA 62 Ca 0.13 -0.91 -0.04 0.00 0.00 0.00 0.00 51.96 51.15 1u8f s ALA 62 Cb -0.00 -2.36 0.05 0.00 0.00 0.00 0.00 23.12 20.81 1u8f s ALA 62 CO 0.00 -0.25 0.19 -2.00 0.00 0.00 0.00 175.76 173.71 1u8f s GLU 63 N 1.18 0.12 -1.45 0.00 2.12 -0.33 -4.88 118.70 115.45 1u8f s GLU 63 Ca 0.08 0.51 -0.10 0.00 0.36 0.00 0.00 54.97 55.82 1u8f s GLU 63 Cb -0.14 -0.16 0.05 0.00 0.26 0.00 0.00 34.13 34.14 1u8f s GLU 63 CO 0.06 -0.21 0.75 0.09 -0.54 0.00 0.00 175.26 175.41 1u8f n ASN 64 N 4.63 -5.04 0.00 -1.70 3.02 -1.26 -1.20 115.26 113.71 1u8f n ASN 64 Ca -0.18 -0.50 0.00 0.00 -0.03 0.00 0.00 54.58 53.86 1u8f n ASN 64 Cb 0.51 -4.06 0.00 0.00 -0.61 0.00 0.00 39.78 35.62 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 -1.53 0.57 3.56 7.41 0.00 -1.26 -5.02 105.19 108.93 1u8f n GLY 65 Ca -0.02 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.74 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 -0.29 2.01 -0.21 1.61 -0.14 -0.34 -4.58 119.74 117.79 1u8f s LYS 66 Ca 0.00 -1.39 -0.19 0.00 -1.36 0.00 0.00 55.97 53.03 1u8f s LYS 66 Cb 0.00 -2.08 -0.03 0.00 -1.68 0.00 0.00 37.83 34.04 1u8f s LYS 66 CO 0.00 0.40 0.54 -1.17 -0.76 0.00 0.00 175.35 174.36 1u8f s LEU 67 N -3.10 4.12 -0.28 3.17 2.96 -0.45 -1.19 118.68 123.92 1u8f s LEU 67 Ca 0.27 0.67 -0.03 0.00 -0.22 0.00 0.00 54.13 54.82 1u8f s LEU 67 Cb -0.08 -2.73 0.03 0.00 0.50 0.00 0.00 46.19 43.91 1u8f s LEU 67 CO 0.16 -0.22 0.00 -0.69 -1.32 0.00 0.00 176.35 174.28 1u8f s VAL 68 N 1.84 3.24 -0.21 1.68 1.01 0.53 0.37 120.40 128.87 1u8f s VAL 68 Ca 0.24 -1.06 -0.03 0.00 0.00 0.00 0.00 61.98 61.13 1u8f s VAL 68 Cb -0.15 -2.73 -0.01 0.00 0.00 0.00 0.00 36.38 33.49 1u8f s VAL 68 CO 0.10 0.05 -0.05 -0.63 0.00 0.00 0.00 175.10 174.56 1u8f s ILE 69 N 1.35 3.32 -1.52 2.22 1.01 -0.77 -1.51 121.20 125.30 1u8f s ILE 69 Ca -0.01 -0.51 -0.13 0.00 0.00 0.00 0.00 60.65 59.99 1u8f s ILE 69 Cb -0.18 -2.50 0.09 0.00 0.01 0.00 0.00 42.46 39.88 1u8f s ILE 69 CO -0.01 0.44 0.84 0.59 0.00 0.00 0.00 174.94 176.80 1u8f n ASN 70 N 4.67 -4.47 0.00 3.58 3.02 -0.06 -0.96 115.26 121.05 1u8f n ASN 70 Ca -0.18 -0.72 0.00 0.00 -0.03 0.00 0.00 54.58 53.65 1u8f n ASN 70 Cb 0.51 -3.60 0.00 0.00 -0.61 0.00 0.00 39.78 36.08 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 -1.54 1.28 3.55 7.41 0.00 -1.26 -5.02 105.19 109.61 1u8f n GLY 71 Ca 0.03 0.00 -0.40 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 -3.15 6.15 0.23 1.61 -0.87 -0.13 -5.05 114.94 113.73 1u8f s ASN 72 Ca 0.00 -0.23 -0.30 0.00 -1.57 0.00 0.00 52.86 50.76 1u8f s ASN 72 Cb 0.00 -2.18 -0.09 0.00 -0.02 0.00 0.00 41.25 38.96 1u8f s ASN 72 CO 0.00 -0.30 1.20 -2.16 -2.57 0.00 0.00 177.10 173.27 1u8f s PRO 73 N 1.95 4.50 -0.08 -0.60 0.04 -1.26 -1.85 135.00 137.70 1u8f s PRO 73 Ca 0.11 1.92 0.03 0.00 0.04 0.00 0.00 61.00 63.09 1u8f s PRO 73 Cb -0.17 -3.20 0.01 0.00 0.04 0.00 0.00 34.50 31.19 1u8f s PRO 73 CO 0.11 -0.03 -0.16 0.42 0.04 0.00 0.00 177.00 177.38 1u8f s ILE 74 N -0.51 1.46 0.11 0.56 1.01 0.16 -4.83 121.20 119.15 1u8f s ILE 74 Ca 0.50 -0.66 -0.30 0.00 0.00 0.00 0.00 60.65 60.19 1u8f s ILE 74 Cb -0.34 -1.31 -0.06 0.00 0.01 0.00 0.00 42.46 40.76 1u8f s ILE 74 CO 0.40 0.43 1.13 -0.89 0.00 0.00 0.00 174.94 176.01 1u8f s THR 75 N 0.65 4.05 -0.19 2.92 2.01 -0.36 -1.34 115.64 123.39 1u8f s THR 75 Ca -0.14 1.60 -0.05 0.00 0.31 0.00 0.00 61.69 63.41 1u8f s THR 75 Cb -0.16 -4.02 -0.02 0.00 0.01 0.00 0.00 72.50 68.30 1u8f s THR 75 CO 0.04 0.20 -0.01 -0.63 -0.69 0.00 0.00 174.62 173.53 1u8f s ILE 76 N 0.44 3.92 0.22 1.82 -1.09 -1.26 -1.15 121.20 124.10 1u8f s ILE 76 Ca 0.54 -0.33 0.08 0.00 -2.23 0.00 0.00 60.65 58.70 1u8f s ILE 76 Cb -0.28 -2.76 -0.04 0.00 -1.58 0.00 0.00 42.46 37.80 1u8f s ILE 76 CO 0.32 0.44 0.04 -0.36 -1.23 0.00 0.00 174.94 174.15 1u8f s PHE 77 N 0.87 2.85 -0.39 3.97 0.08 0.32 -4.99 117.98 120.70 1u8f s PHE 77 Ca 0.00 -0.16 0.12 0.00 0.12 0.00 0.00 56.93 57.02 1u8f s PHE 77 Cb -0.14 -1.32 0.37 0.00 -0.57 0.00 0.00 43.02 41.35 1u8f s PHE 77 CO 0.02 0.56 0.81 1.04 -0.10 0.00 0.00 175.22 177.55 1u8f n GLN 78 N -0.60 1.41 -4.48 0.44 1.13 -1.26 -2.30 117.38 111.71 1u8f n GLN 78 Ca -0.08 -3.61 -0.34 0.00 -1.94 0.00 0.00 57.00 51.03 1u8f n GLN 78 Cb 0.57 -1.72 -0.11 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 -2.74 3.16 0.02 -1.09 0.41 -1.26 -4.60 118.70 112.59 1u8f s GLU 79 Ca 0.39 -0.50 0.11 0.00 -0.41 0.00 0.00 54.97 54.56 1u8f s GLU 79 Cb 0.36 -2.76 -0.21 0.00 -1.78 0.00 0.00 34.13 29.74 1u8f s GLU 79 CO -0.07 0.51 0.87 0.00 -0.49 0.00 0.00 175.26 176.08 1u8f h ARG 80 N 5.78 0.00 -4.94 1.61 3.08 -1.99 -3.39 114.38 114.54 1u8f h ARG 80 Ca -0.42 0.00 -0.69 0.00 0.07 0.00 0.00 59.98 58.94 1u8f h ARG 80 Cb 1.18 0.00 -0.18 0.00 0.08 0.00 0.00 29.97 31.05 1u8f h ARG 80 CO 0.57 0.62 -0.17 0.34 -1.07 0.00 0.00 179.97 180.26 1u8f s ASP 81 N -6.25 6.21 0.31 7.04 -1.08 -1.26 -4.98 116.67 116.66 1u8f s ASP 81 Ca -0.03 -0.60 0.07 0.00 -0.52 0.00 0.00 52.55 51.47 1u8f s ASP 81 Cb 0.09 -2.23 0.77 0.00 -1.46 0.00 0.00 42.92 40.08 1u8f s ASP 81 CO 0.82 -0.59 1.77 -0.65 0.52 0.00 0.00 175.17 177.04 1u8f h PRO 82 N 8.72 0.71 0.00 4.34 0.11 -1.93 -0.32 132.00 143.63 1u8f h PRO 82 Ca -0.26 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.80 1u8f h PRO 82 Cb 1.11 -0.16 0.00 0.00 0.11 0.00 0.00 31.00 32.06 1u8f h PRO 82 CO 0.80 0.47 0.00 -1.13 -0.21 0.00 0.00 178.00 177.93 1u8f n SER 83 N -4.79 0.31 -0.70 -2.05 3.41 -1.25 -2.22 113.62 106.33 1u8f n SER 83 Ca 0.24 0.60 0.12 0.00 -0.26 0.00 0.00 58.87 59.57 1u8f n SER 83 Cb 0.61 -0.66 0.16 0.00 -0.26 0.00 0.00 64.21 64.06 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 -1.87 1.80 -2.72 4.33 4.76 -0.13 -4.30 118.16 120.03 1u8f n LYS 84 Ca 0.01 -1.41 -0.42 0.00 -2.87 0.00 0.00 58.31 53.62 1u8f n LYS 84 Cb 0.12 -1.47 -0.03 0.00 -1.84 0.00 0.00 35.03 31.81 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 -2.17 4.80 -1.39 -0.18 1.01 -0.94 -4.94 121.20 117.38 1u8f s ILE 85 Ca 0.27 1.99 -0.08 0.00 0.00 0.00 0.00 60.65 62.83 1u8f s ILE 85 Cb 0.20 -4.29 -0.02 0.00 0.01 0.00 0.00 42.46 38.36 1u8f s ILE 85 CO 0.40 0.02 2.78 0.29 0.00 0.00 0.00 174.94 178.42 1u8f n LYS 86 N 4.96 3.91 -0.14 2.79 4.01 -1.26 -4.14 118.16 128.29 1u8f n LYS 86 Ca 0.08 -2.62 -0.03 0.00 -0.51 0.00 0.00 58.31 55.23 1u8f n LYS 86 Cb 0.49 -2.67 0.05 0.00 -0.51 0.00 0.00 35.03 32.38 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 4.68 0.01 -0.43 2.13 -0.00 -1.86 -2.68 115.95 117.80 1u8f h TRP 87 Ca 0.76 0.03 0.08 0.00 -0.00 0.00 0.00 58.89 59.77 1u8f h TRP 87 Cb 0.37 0.06 -0.07 0.00 -0.00 0.00 0.00 29.16 29.52 1u8f h TRP 87 CO 1.76 -0.08 -0.03 0.78 -0.00 0.00 0.00 178.44 180.88 1u8f h GLY 88 N 0.14 0.40 2.00 1.49 0.00 -1.49 -0.52 103.07 105.09 1u8f h GLY 88 Ca 0.23 0.08 -0.02 0.00 0.00 0.00 0.00 47.33 47.62 1u8f h GLY 88 CO -0.36 -0.13 -0.08 -0.55 0.00 0.00 0.00 176.54 175.42 1u8f h ASP 89 N 0.08 0.00 0.79 0.19 3.32 -1.73 0.26 116.42 119.32 1u8f h ASP 89 Ca 0.21 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.26 1u8f h ASP 89 Cb 0.31 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.86 1u8f h ASP 89 CO -0.38 0.08 -0.22 0.00 -1.72 0.00 0.00 179.24 177.00 1u8f n ALA 90 N -2.45 2.86 -0.79 3.45 0.00 -0.34 -4.93 120.51 118.32 1u8f n ALA 90 Ca -0.03 -0.21 0.00 0.00 0.00 0.00 0.00 53.44 53.21 1u8f n ALA 90 Cb 0.17 -1.32 0.00 0.00 0.00 0.00 0.00 19.45 18.30 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 1.50 0.58 3.63 0.00 0.00 0.08 -4.82 105.19 106.15 1u8f n GLY 91 Ca 0.06 -0.27 -0.43 0.00 0.00 0.00 0.00 46.02 45.39 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 -2.00 3.44 -0.14 4.61 0.00 -0.75 -4.66 121.76 122.27 1u8f s ALA 92 Ca 0.00 -0.07 -0.23 0.00 0.00 0.00 0.00 51.96 51.66 1u8f s ALA 92 Cb 0.00 -3.71 -0.25 0.00 0.00 0.00 0.00 23.12 19.16 1u8f s ALA 92 CO 0.00 -1.61 0.57 0.93 0.00 0.00 0.00 175.76 175.65 1u8f h GLU 93 N 8.39 0.09 -6.23 0.00 5.08 -1.14 -3.39 114.58 117.39 1u8f h GLU 93 Ca -0.22 -0.15 -0.66 0.00 -1.00 0.00 0.00 59.36 57.33 1u8f h GLU 93 Cb 1.07 0.06 -0.14 0.00 0.50 0.00 0.00 28.75 30.23 1u8f h GLU 93 CO 1.04 1.07 -0.66 0.71 -1.00 0.00 0.00 179.01 180.18 1u8f s TYR 94 N -2.35 3.01 -0.12 4.33 2.02 -0.96 -0.11 117.35 123.18 1u8f s TYR 94 Ca -0.22 0.03 0.02 0.00 -0.37 0.00 0.00 57.07 56.54 1u8f s TYR 94 Cb 0.02 -1.63 0.01 0.00 -0.40 0.00 0.00 41.96 39.96 1u8f s TYR 94 CO 0.69 0.44 -0.18 0.08 -1.57 0.00 0.00 175.55 175.01 1u8f s VAL 95 N -1.11 1.73 -0.34 0.71 1.01 -0.27 -0.11 120.40 122.03 1u8f s VAL 95 Ca 0.20 -0.79 -0.22 0.00 0.00 0.00 0.00 61.98 61.17 1u8f s VAL 95 Cb -0.11 -1.55 0.00 0.00 0.00 0.00 0.00 36.38 34.72 1u8f s VAL 95 CO 0.11 0.49 0.71 -0.69 0.00 0.00 0.00 175.10 175.72 1u8f s VAL 96 N 0.83 4.83 -0.86 2.92 1.01 0.83 -0.64 120.40 129.32 1u8f s VAL 96 Ca -0.09 0.87 -0.17 0.00 0.00 0.00 0.00 61.98 62.60 1u8f s VAL 96 Cb -0.16 -4.12 0.17 0.00 0.00 0.00 0.00 36.38 32.27 1u8f s VAL 96 CO -0.00 -0.30 0.95 -0.70 0.00 0.00 0.00 175.10 175.05 1u8f s GLU 97 N 2.86 3.56 -0.32 2.72 2.56 0.01 -0.43 118.70 129.66 1u8f s GLU 97 Ca 0.29 -2.02 0.06 0.00 0.00 0.00 0.00 54.97 53.30 1u8f s GLU 97 Cb -0.14 -4.66 0.46 0.00 2.00 0.00 0.00 34.13 31.79 1u8f s GLU 97 CO 0.14 -1.55 1.28 -1.13 -0.56 0.00 0.00 175.26 173.43 1u8f n SER 98 N 5.46 4.91 0.02 -1.70 3.41 -0.30 -1.55 113.62 123.86 1u8f n SER 98 Ca 0.17 -3.77 0.03 0.00 -0.26 0.00 0.00 58.87 55.05 1u8f n SER 98 Cb 0.48 -0.42 -0.09 0.00 -0.26 0.00 0.00 64.21 63.92 1u8f n SER 98 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1u8f n THR 99 N -0.77 0.89 -0.82 6.66 -2.24 -1.17 -4.64 114.28 112.19 1u8f n THR 99 Ca 0.44 -0.65 0.00 0.00 -2.27 0.00 0.00 64.05 61.57 1u8f n THR 99 Cb 0.93 -0.49 0.00 0.00 -2.10 0.00 0.00 70.33 68.67 1u8f n THR 99 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1u8f n GLY 100 N 1.38 0.76 0.00 3.38 0.00 -1.26 -4.89 105.19 104.56 1u8f n GLY 100 Ca -0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.92 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 -2.38 0.39 -3.12 1.61 0.24 -1.26 -4.78 118.33 109.03 1u8f n VAL 101 Ca 0.00 -0.62 -0.21 0.00 -2.04 0.00 0.00 64.34 61.47 1u8f n VAL 101 Cb 0.00 0.89 -0.04 0.00 -1.47 0.00 0.00 33.84 33.22 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 -0.20 1.41 1.20 6.34 3.72 -1.26 -4.93 117.46 123.74 1u8f n PHE 102 Ca 0.00 -3.87 0.13 0.00 -0.05 0.00 0.00 57.45 53.66 1u8f n PHE 102 Cb 0.16 -0.44 0.31 0.00 -0.94 0.00 0.00 39.48 38.57 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 0.22 0.00 -3.43 4.37 -2.24 -1.26 -3.73 114.28 108.21 1u8f n THR 103 Ca 0.27 -0.14 -0.24 0.00 -2.27 0.00 0.00 64.05 61.67 1u8f n THR 103 Cb 0.56 0.52 -0.01 0.00 -2.10 0.00 0.00 70.33 69.29 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 -2.52 5.12 0.23 4.28 -4.23 -1.26 -4.26 115.64 112.99 1u8f s THR 104 Ca 0.23 -0.46 -0.06 0.00 -1.18 0.00 0.00 61.69 60.22 1u8f s THR 104 Cb 0.19 -3.85 0.19 0.00 1.34 0.00 0.00 72.50 70.37 1u8f s THR 104 CO 0.54 -0.51 1.77 0.24 -0.54 0.00 0.00 174.62 176.12 1u8f h MET 105 N 0.92 0.55 0.13 3.99 2.86 -1.92 0.12 114.93 121.58 1u8f h MET 105 Ca -0.50 -0.03 -0.01 0.00 -2.06 0.00 0.00 59.70 57.10 1u8f h MET 105 Cb 1.22 -0.12 0.00 0.00 0.06 0.00 0.00 31.60 32.75 1u8f h MET 105 CO 0.62 0.36 -0.06 1.49 1.06 0.00 0.00 176.91 180.38 1u8f h GLU 106 N 0.56 -0.17 -0.25 1.72 4.81 -1.97 -0.36 114.58 118.92 1u8f h GLU 106 Ca 0.37 0.01 -0.07 0.00 -0.13 0.00 0.00 59.36 59.54 1u8f h GLU 106 Cb 0.44 0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.86 1u8f h GLU 106 CO -0.31 0.02 -0.13 0.87 -0.73 0.00 0.00 179.01 178.73 1u8f h LYS 107 N -0.33 0.53 -0.07 1.92 1.57 -1.82 -3.14 116.57 115.24 1u8f h LYS 107 Ca -0.02 -0.24 -0.07 0.00 -1.87 0.00 0.00 60.65 58.46 1u8f h LYS 107 Cb 0.26 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.55 1u8f h LYS 107 CO 0.03 0.80 -0.28 0.00 -0.57 0.00 0.00 179.45 179.43 1u8f h ALA 108 N 0.72 1.41 0.00 3.86 0.00 -0.80 -2.79 119.26 121.66 1u8f h ALA 108 Ca 0.06 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.68 1u8f h ALA 108 Cb 0.64 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.36 1u8f h ALA 108 CO 0.04 0.42 0.00 0.41 0.00 0.00 0.00 179.25 180.12 1u8f n GLY 109 N -0.61 -0.91 0.31 0.00 0.00 -0.15 -2.71 105.19 101.12 1u8f n GLY 109 Ca -0.01 0.11 0.09 0.00 0.00 0.00 0.00 46.02 46.20 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 2.11 1.94 0.00 4.61 0.00 -1.59 -1.68 119.26 124.66 1u8f h ALA 110 Ca 0.00 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 1u8f h ALA 110 Cb 0.12 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.83 1u8f h ALA 110 CO 0.00 0.00 -0.04 0.45 0.00 0.00 0.00 179.25 179.66 1u8f h HIS 111 N 0.30 0.00 0.00 0.00 3.86 -1.71 -1.74 115.15 115.87 1u8f h HIS 111 Ca 0.15 0.00 -0.07 0.00 -1.16 0.00 0.00 60.37 59.28 1u8f h HIS 111 Cb 0.20 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.66 1u8f h HIS 111 CO -0.00 0.04 -0.35 -0.07 0.86 0.00 0.00 177.93 178.41 1u8f h LEU 112 N 0.00 0.00 -1.25 2.43 3.38 -1.51 -2.39 115.31 115.97 1u8f h LEU 112 Ca -0.00 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.90 1u8f h LEU 112 Cb 0.09 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.83 1u8f h LEU 112 CO 0.01 0.35 -0.20 1.56 0.09 0.00 0.00 178.44 180.25 1u8f h GLN 113 N 0.00 0.27 -0.00 1.13 4.20 -1.43 -2.15 115.11 117.13 1u8f h GLN 113 Ca -0.00 -0.08 0.00 0.00 0.06 0.00 0.00 58.65 58.63 1u8f h GLN 113 Cb 0.63 -0.03 0.00 0.00 0.30 0.00 0.00 27.48 28.39 1u8f h GLN 113 CO 0.05 0.46 -0.01 0.41 -0.67 0.00 0.00 178.83 179.07 1u8f n GLY 114 N -0.68 -1.22 0.00 3.46 0.00 -0.92 -4.89 105.19 100.94 1u8f n GLY 114 Ca -0.01 -0.16 0.00 0.00 0.00 0.00 0.00 46.02 45.85 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 1.24 1.20 3.76 -0.02 0.00 -0.81 -1.62 105.19 108.95 1u8f n GLY 115 Ca 0.16 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.84 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 -2.00 2.46 -0.21 4.61 0.00 -1.08 -4.31 121.76 121.23 1u8f s ALA 116 Ca 0.00 0.71 0.16 0.00 0.00 0.00 0.00 51.96 52.82 1u8f s ALA 116 Cb 0.00 -3.37 -0.24 0.00 0.00 0.00 0.00 23.12 19.51 1u8f s ALA 116 CO 0.00 -1.27 0.03 1.63 0.00 0.00 0.00 175.76 176.14 1u8f n LYS 117 N -2.17 0.69 -3.86 0.00 4.76 0.84 -4.40 118.16 114.01 1u8f n LYS 117 Ca 0.11 0.01 -0.10 0.00 -2.87 0.00 0.00 58.31 55.46 1u8f n LYS 117 Cb 0.51 -1.52 -0.09 0.00 -1.84 0.00 0.00 35.03 32.09 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 -2.49 0.65 -0.05 1.97 0.52 -1.03 -4.80 118.95 113.71 1u8f s ARG 118 Ca -0.14 -0.62 0.03 0.00 -0.52 0.00 0.00 55.73 54.48 1u8f s ARG 118 Cb 0.06 0.27 0.01 0.00 0.52 0.00 0.00 34.95 35.81 1u8f s ARG 118 CO 0.80 -0.18 -0.12 0.08 0.02 0.00 0.00 175.30 175.90 1u8f s VAL 119 N -2.41 1.06 -0.31 3.52 1.01 0.95 -1.11 120.40 123.11 1u8f s VAL 119 Ca -0.06 -0.48 -0.01 0.00 0.00 0.00 0.00 61.98 61.43 1u8f s VAL 119 Cb -0.02 -0.96 0.06 0.00 0.00 0.00 0.00 36.38 35.47 1u8f s VAL 119 CO -0.03 0.33 0.01 -0.63 0.00 0.00 0.00 175.10 174.78 1u8f s ILE 120 N 0.41 2.86 -0.16 2.22 1.09 0.19 -1.45 121.20 126.36 1u8f s ILE 120 Ca -0.09 -1.56 -0.29 0.00 -1.10 0.00 0.00 60.65 57.61 1u8f s ILE 120 Cb -0.13 -2.71 -0.01 0.00 -1.06 0.00 0.00 42.46 38.55 1u8f s ILE 120 CO 0.02 -0.19 1.14 -0.63 -0.10 0.00 0.00 174.94 175.19 1u8f s ILE 121 N 1.20 4.48 -0.04 2.92 1.01 0.51 -0.81 121.20 130.47 1u8f s ILE 121 Ca -0.03 1.78 -0.00 0.00 0.00 0.00 0.00 60.65 62.40 1u8f s ILE 121 Cb -0.20 -4.15 0.03 0.00 0.01 0.00 0.00 42.46 38.15 1u8f s ILE 121 CO -0.02 -0.11 1.85 -1.54 0.00 0.00 0.00 174.94 175.11 1u8f n SER 122 N 6.06 5.09 -3.65 3.58 3.41 -0.59 -1.64 113.62 125.88 1u8f n SER 122 Ca 0.12 -2.43 -0.05 0.00 -0.26 0.00 0.00 58.87 56.25 1u8f n SER 122 Cb 0.46 -1.02 -0.02 0.00 -0.26 0.00 0.00 64.21 63.37 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 -0.22 -1.75 0.80 7.33 0.00 -1.19 -4.91 121.76 121.81 1u8f s ALA 123 Ca 0.04 0.51 -0.14 0.00 0.00 0.00 0.00 51.96 52.37 1u8f s ALA 123 Cb 0.03 0.53 0.07 0.00 0.00 0.00 0.00 23.12 23.76 1u8f s ALA 123 CO 0.00 -0.90 1.14 -2.30 0.00 0.00 0.00 175.76 173.70 1u8f n PRO 124 N -0.38 0.20 -4.32 0.00 -0.02 -1.17 -4.12 135.00 125.19 1u8f n PRO 124 Ca -0.07 0.14 -0.19 0.00 -2.02 0.00 0.00 63.50 61.36 1u8f n PRO 124 Cb 0.61 -2.39 -0.13 0.00 -0.02 0.00 0.00 33.50 31.57 1u8f n PRO 124 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 1u8f s SER 125 N -2.06 1.38 0.40 2.55 0.15 -1.26 -4.92 113.70 109.94 1u8f s SER 125 Ca 0.73 -0.38 0.13 0.00 0.70 0.00 0.00 55.95 57.13 1u8f s SER 125 Cb -0.29 -0.09 0.81 0.00 -1.71 0.00 0.00 66.02 64.74 1u8f s SER 125 CO 0.51 0.02 1.88 0.00 1.20 0.00 0.00 173.24 176.86 1u8f h ALA 126 N 5.16 1.49 0.00 5.45 0.00 -1.96 -3.38 119.26 126.02 1u8f h ALA 126 Ca -0.36 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.27 1u8f h ALA 126 Cb 1.18 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.92 1u8f h ALA 126 CO 0.45 0.38 -0.09 -0.40 0.00 0.00 0.00 179.25 179.60 1u8f n ASP 127 N -4.17 0.45 -4.74 0.00 5.68 -1.26 -5.07 116.55 107.43 1u8f n ASP 127 Ca -0.02 -0.07 -0.41 0.00 -0.50 0.00 0.00 54.79 53.79 1u8f n ASP 127 Cb 0.35 0.22 -0.04 0.00 -1.14 0.00 0.00 41.12 40.51 1u8f n ASP 127 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1u8f s ALA 128 N -0.31 3.36 0.16 2.12 0.00 -1.26 -4.92 121.76 120.91 1u8f s ALA 128 Ca 0.00 0.80 -0.34 0.00 0.00 0.00 0.00 51.96 52.42 1u8f s ALA 128 Cb 0.00 -3.34 -0.14 0.00 0.00 0.00 0.00 23.12 19.63 1u8f s ALA 128 CO 0.00 -0.19 1.50 -2.30 0.00 0.00 0.00 175.76 174.78 1u8f n PRO 129 N 2.31 1.92 -4.01 0.00 -0.02 -1.26 -4.51 135.00 129.43 1u8f n PRO 129 Ca 0.02 0.69 -0.35 0.00 -2.02 0.00 0.00 63.50 61.85 1u8f n PRO 129 Cb 0.46 -2.42 -0.06 0.00 -0.02 0.00 0.00 33.50 31.46 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 0.63 3.28 0.05 -0.52 -1.94 -1.26 -0.40 119.30 119.13 1u8f s MET 130 Ca 0.78 -0.31 0.03 0.00 -1.71 0.00 0.00 55.69 54.49 1u8f s MET 130 Cb -0.73 -3.02 -0.02 0.00 2.01 0.00 0.00 34.83 33.06 1u8f s MET 130 CO 0.41 0.71 -0.10 -0.06 -0.01 0.00 0.00 175.02 175.97 1u8f s PHE 131 N -1.13 0.89 -0.10 -0.03 0.08 0.04 -4.79 117.98 112.95 1u8f s PHE 131 Ca 0.20 -0.45 -0.01 0.00 0.12 0.00 0.00 56.93 56.78 1u8f s PHE 131 Cb -0.12 -0.52 0.03 0.00 -0.57 0.00 0.00 43.02 41.84 1u8f s PHE 131 CO 0.10 -0.02 -0.03 0.08 -0.10 0.00 0.00 175.22 175.25 1u8f s VAL 132 N -1.24 0.65 0.21 -0.44 1.01 -1.26 -3.97 120.40 115.36 1u8f s VAL 132 Ca -0.06 -0.10 -0.32 0.00 0.00 0.00 0.00 61.98 61.50 1u8f s VAL 132 Cb -0.09 -0.78 -0.13 0.00 0.00 0.00 0.00 36.38 35.37 1u8f s VAL 132 CO 0.01 0.26 1.53 0.23 0.00 0.00 0.00 175.10 177.13 1u8f n MET 133 N 5.06 2.25 0.00 2.72 2.81 -1.26 -1.43 117.12 127.26 1u8f n MET 133 Ca -0.09 0.80 0.00 0.00 -1.81 0.00 0.00 57.70 56.60 1u8f n MET 133 Cb 0.50 -2.54 0.00 0.00 -0.71 0.00 0.00 33.22 30.47 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 2.81 1.66 0.86 3.03 0.00 -1.26 -4.83 105.19 107.45 1u8f n GLY 134 Ca 0.14 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.11 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 0.35 -1.68 1.61 0.31 -0.51 -4.95 118.33 111.46 1u8f n VAL 135 Ca 0.00 -0.03 0.00 0.00 -0.01 0.00 0.00 64.34 64.30 1u8f n VAL 135 Cb 0.00 -1.58 0.00 0.00 -0.91 0.00 0.00 33.84 31.35 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 -3.25 0.00 0.30 4.52 6.94 -0.91 -4.90 115.26 117.96 1u8f n ASN 136 Ca -0.09 -1.42 0.16 0.00 -0.02 0.00 0.00 54.58 53.22 1u8f n ASN 136 Cb 0.52 -0.08 0.96 0.00 -2.36 0.00 0.00 39.78 38.82 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 0.00 0.00 0.00 -2.53 2.07 -1.92 -0.26 115.15 112.51 1u8f h HIS 137 Ca 0.00 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.52 1u8f h HIS 137 Cb 1.17 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.15 1u8f h HIS 137 CO -0.00 0.00 0.00 0.93 -3.07 0.00 0.00 177.93 175.79 1u8f h GLU 138 N 0.00 0.00 0.00 5.12 4.39 -1.92 -2.25 114.58 119.92 1u8f h GLU 138 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1u8f h GLU 138 Cb 0.01 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.66 1u8f h GLU 138 CO -0.00 0.00 0.00 0.87 -1.16 0.00 0.00 179.01 178.72 1u8f h LYS 139 N 0.00 0.00 -7.05 2.33 6.56 -1.43 -3.45 116.57 113.52 1u8f h LYS 139 Ca 0.00 0.00 -0.53 0.00 -1.06 0.00 0.00 60.65 59.06 1u8f h LYS 139 Cb 0.34 0.00 0.10 0.00 -0.57 0.00 0.00 32.23 32.10 1u8f h LYS 139 CO 0.00 0.00 0.51 -0.47 -2.06 0.00 0.00 179.45 177.43 1u8f s TYR 140 N -3.37 2.52 0.11 -1.35 5.04 -0.85 -5.04 117.35 114.41 1u8f s TYR 140 Ca 0.05 1.48 -0.12 0.00 -2.44 0.00 0.00 57.07 56.04 1u8f s TYR 140 Cb 0.09 -3.53 0.01 0.00 0.35 0.00 0.00 41.96 38.88 1u8f s TYR 140 CO 0.53 -2.16 0.29 0.16 -1.34 0.00 0.00 175.55 173.03 1u8f s ASP 141 N -1.35 -0.05 0.36 4.32 1.47 -1.26 -5.05 116.67 115.11 1u8f s ASP 141 Ca 0.71 -0.51 0.18 0.00 1.18 0.00 0.00 52.55 54.11 1u8f s ASP 141 Cb -0.32 0.41 0.97 0.00 -0.34 0.00 0.00 42.92 43.63 1u8f s ASP 141 CO 0.37 -0.80 1.48 0.78 0.68 0.00 0.00 175.17 177.69 1u8f h ASN 142 N 2.56 0.00 0.84 2.11 2.35 -1.96 -1.82 115.58 119.66 1u8f h ASN 142 Ca -0.34 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.41 1u8f h ASN 142 Cb 1.23 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.60 1u8f h ASN 142 CO 0.51 0.00 0.00 -1.54 -1.65 0.00 0.00 177.43 174.75 1u8f n SER 143 N -2.21 0.00 -4.49 5.81 3.41 -1.26 -4.62 113.62 110.26 1u8f n SER 143 Ca -0.01 0.47 -0.43 0.00 -0.26 0.00 0.00 58.87 58.64 1u8f n SER 143 Cb 0.24 -0.49 -0.08 0.00 -0.26 0.00 0.00 64.21 63.62 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 -2.98 4.81 0.09 1.04 1.43 -0.69 -4.91 118.68 117.49 1u8f s LEU 144 Ca 0.13 -0.64 0.22 0.00 -1.03 0.00 0.00 54.13 52.81 1u8f s LEU 144 Cb 0.16 -2.46 -0.10 0.00 0.03 0.00 0.00 46.19 43.82 1u8f s LEU 144 CO 0.45 -0.65 0.86 0.29 0.23 0.00 0.00 176.35 177.52 1u8f n LYS 145 N 5.79 0.55 -3.81 1.70 5.02 -1.26 -4.81 118.16 121.33 1u8f n LYS 145 Ca -0.06 -0.01 -0.26 0.00 -2.02 0.00 0.00 58.31 55.96 1u8f n LYS 145 Cb 0.47 -1.68 -0.17 0.00 -0.02 0.00 0.00 35.03 33.64 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 -3.38 0.71 0.26 -0.18 1.01 -1.26 -0.04 121.20 118.32 1u8f s ILE 146 Ca -0.02 -0.31 0.01 0.00 0.00 0.00 0.00 60.65 60.33 1u8f s ILE 146 Cb 0.12 -0.94 -0.05 0.00 0.01 0.00 0.00 42.46 41.60 1u8f s ILE 146 CO 0.83 0.13 0.10 0.27 0.00 0.00 0.00 174.94 176.26 1u8f s ILE 147 N 1.81 0.55 0.02 2.92 -4.36 -0.53 -4.22 121.20 117.39 1u8f s ILE 147 Ca 0.02 -2.00 0.07 0.00 -0.26 0.00 0.00 60.65 58.49 1u8f s ILE 147 Cb -0.14 -2.63 -0.02 0.00 1.25 0.00 0.00 42.46 40.92 1u8f s ILE 147 CO -0.07 -0.01 -0.22 -0.55 0.24 0.00 0.00 174.94 174.33 1u8f s SER 148 N -3.31 2.64 -0.16 4.36 0.15 0.46 -0.36 113.70 117.47 1u8f s SER 148 Ca 0.38 -0.48 0.14 0.00 0.70 0.00 0.00 55.95 56.68 1u8f s SER 148 Cb 0.08 -0.25 0.70 0.00 -1.71 0.00 0.00 66.02 64.84 1u8f s SER 148 CO 0.13 0.22 1.59 -3.20 1.20 0.00 0.00 173.24 173.18 1u8f n ASN 149 N 2.11 4.86 0.00 5.45 5.15 -0.65 -0.78 115.26 131.41 1u8f n ASN 149 Ca -0.16 -2.65 0.00 0.00 -0.60 0.00 0.00 54.58 51.17 1u8f n ASN 149 Cb 0.53 -0.62 0.00 0.00 -0.53 0.00 0.00 39.78 39.16 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 0.76 0.00 -2.43 5.20 0.00 -1.25 -4.77 120.51 118.01 1u8f n ALA 150 Ca 0.24 0.00 -0.24 0.00 0.00 0.00 0.00 53.44 53.45 1u8f n ALA 150 Cb 0.98 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 20.36 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 4.56 0.17 0.00 1.04 -1.26 -3.04 113.70 111.17 1u8f s SER 151 Ca 0.00 -0.96 -0.14 0.00 0.48 0.00 0.00 55.95 55.33 1u8f s SER 151 Cb 0.00 -0.55 0.06 0.00 0.10 0.00 0.00 66.02 65.63 1u8f s SER 151 CO 0.00 -0.49 1.81 0.00 0.98 0.00 0.00 173.24 175.54 1u8f h THR 153 N 0.71 1.24 -0.25 0.00 2.02 -1.95 -2.01 112.91 112.67 1u8f h THR 153 Ca 0.19 -0.67 -0.10 0.00 0.77 0.00 0.00 66.41 66.61 1u8f h THR 153 Cb -0.03 0.24 -0.01 0.00 -1.74 0.00 0.00 68.15 66.61 1u8f h THR 153 CO -0.04 0.29 -0.26 0.74 0.37 0.00 0.00 175.52 176.62 1u8f h THR 154 N 1.10 1.27 0.00 3.16 2.02 -1.74 -0.77 112.91 117.94 1u8f h THR 154 Ca 0.27 -1.28 -0.01 0.00 0.77 0.00 0.00 66.41 66.16 1u8f h THR 154 Cb 0.10 1.36 -0.00 0.00 -1.74 0.00 0.00 68.15 67.86 1u8f h THR 154 CO -0.04 0.41 -0.04 0.78 0.37 0.00 0.00 175.52 177.00 1u8f h ASN 155 N 0.43 0.00 0.05 4.18 2.35 -0.80 0.03 115.58 121.82 1u8f h ASN 155 Ca 0.06 0.00 -0.20 0.00 -0.55 0.00 0.00 56.30 55.61 1u8f h ASN 155 Cb 0.68 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 39.04 1u8f h ASN 155 CO 0.05 0.04 -1.05 0.00 -1.65 0.00 0.00 177.43 174.82 1u8f h LEU 157 N -0.67 0.28 -0.43 0.00 5.85 -1.05 -3.33 115.31 115.95 1u8f h LEU 157 Ca -0.25 -0.50 0.09 0.00 0.84 0.00 0.00 57.88 58.06 1u8f h LEU 157 Cb 1.45 -0.08 -0.09 0.00 0.37 0.00 0.00 40.66 42.31 1u8f h LEU 157 CO -0.04 0.73 -0.18 0.00 -0.34 0.00 0.00 178.44 178.61 1u8f h ALA 158 N 0.56 0.15 -0.80 1.25 0.00 -1.21 0.14 119.26 119.35 1u8f h ALA 158 Ca 0.01 0.16 0.01 0.00 0.00 0.00 0.00 54.91 55.09 1u8f h ALA 158 Cb 0.65 0.47 -0.04 0.00 0.00 0.00 0.00 17.79 18.87 1u8f h ALA 158 CO 0.03 -0.54 0.53 -1.35 0.00 0.00 0.00 179.25 177.92 1u8f h PRO 159 N -0.10 1.05 0.01 0.00 0.11 -1.75 0.89 132.00 132.21 1u8f h PRO 159 Ca 0.21 -0.06 -0.00 0.00 0.11 0.00 0.00 66.00 66.26 1u8f h PRO 159 Cb 0.42 -0.24 0.00 0.00 0.11 0.00 0.00 31.00 31.29 1u8f h PRO 159 CO -0.50 0.70 -0.00 1.25 -0.21 0.00 0.00 178.00 179.24 1u8f h LEU 160 N 1.08 -0.01 -1.39 2.35 5.85 -1.54 -2.74 115.31 118.91 1u8f h LEU 160 Ca 0.30 -0.33 0.09 0.00 0.84 0.00 0.00 57.88 58.77 1u8f h LEU 160 Cb -0.11 0.00 -0.05 0.00 0.37 0.00 0.00 40.66 40.87 1u8f h LEU 160 CO -0.07 0.33 0.49 0.00 -0.34 0.00 0.00 178.44 178.85 1u8f h ALA 161 N 0.65 1.77 -0.12 1.25 0.00 -0.53 -1.07 119.26 121.21 1u8f h ALA 161 Ca -0.00 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 1u8f h ALA 161 Cb 0.33 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 1u8f h ALA 161 CO 0.00 0.08 0.07 -0.22 0.00 0.00 0.00 179.25 179.18 1u8f h LYS 162 N 0.70 0.17 -0.53 0.00 3.64 -0.66 0.16 116.57 120.06 1u8f h LYS 162 Ca 0.34 -0.02 -0.06 0.00 -1.27 0.00 0.00 60.65 59.63 1u8f h LYS 162 Cb 0.40 -0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 32.16 1u8f h LYS 162 CO -0.12 0.19 0.09 0.28 -2.27 0.00 0.00 179.45 177.62 1u8f h VAL 163 N 0.11 1.25 -0.25 2.00 2.07 -1.07 0.47 116.25 120.82 1u8f h VAL 163 Ca 0.04 -0.95 -0.04 0.00 0.82 0.00 0.00 66.70 66.57 1u8f h VAL 163 Cb 0.07 0.84 -0.01 0.00 -1.52 0.00 0.00 31.29 30.67 1u8f h VAL 163 CO -0.01 0.34 -0.01 0.40 0.02 0.00 0.00 177.57 178.32 1u8f h ILE 164 N 0.77 1.26 -0.39 4.57 1.08 -1.11 -2.47 117.51 121.22 1u8f h ILE 164 Ca 0.16 -0.93 -0.07 0.00 -0.39 0.00 0.00 64.86 63.63 1u8f h ILE 164 Cb 0.40 1.37 -0.01 0.00 -3.07 0.00 0.00 36.82 35.51 1u8f h ILE 164 CO 0.01 0.29 -0.04 -0.74 -0.69 0.00 0.00 178.15 176.98 1u8f h HIS 165 N 0.23 0.79 -0.36 1.37 2.76 -0.60 0.87 115.15 120.20 1u8f h HIS 165 Ca 0.07 -0.15 0.00 0.00 -2.20 0.00 0.00 60.37 58.09 1u8f h HIS 165 Cb 0.43 -0.20 -0.02 0.00 1.55 0.00 0.00 27.41 29.18 1u8f h HIS 165 CO 0.04 0.82 0.24 -0.44 -1.30 0.00 0.00 177.93 177.29 1u8f h ASP 166 N 0.53 0.42 0.06 3.26 3.32 -0.88 -0.94 116.42 122.19 1u8f h ASP 166 Ca 0.11 -0.01 -0.36 0.00 0.02 0.00 0.00 57.03 56.78 1u8f h ASP 166 Cb 0.54 -0.10 -0.04 0.00 0.22 0.00 0.00 39.33 39.94 1u8f h ASP 166 CO 0.03 0.30 -2.10 0.59 -1.72 0.00 0.00 179.24 176.34 1u8f n ASN 167 N -4.48 2.04 -0.00 6.45 3.02 -0.93 -4.75 115.26 116.60 1u8f n ASN 167 Ca 0.02 0.14 0.01 0.00 -0.03 0.00 0.00 54.58 54.72 1u8f n ASN 167 Cb 0.06 -0.74 -0.01 0.00 -0.61 0.00 0.00 39.78 38.48 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 -3.61 0.00 -0.69 3.10 3.72 0.27 -4.94 117.46 115.31 1u8f n PHE 168 Ca -0.38 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.02 1u8f n PHE 168 Cb 0.97 -0.03 0.00 0.00 -0.94 0.00 0.00 39.48 39.48 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 2.10 -3.57 3.55 1.37 0.00 -0.36 -1.03 105.19 107.26 1u8f n GLY 169 Ca -0.00 -0.71 -0.42 0.00 0.00 0.00 0.00 46.02 44.90 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 -0.03 4.97 0.01 -0.61 1.01 -1.26 -0.73 121.20 124.56 1u8f s ILE 170 Ca 0.00 0.31 -0.19 0.00 0.00 0.00 0.00 60.65 60.76 1u8f s ILE 170 Cb 0.00 -4.02 -0.23 0.00 0.01 0.00 0.00 42.46 38.23 1u8f s ILE 170 CO 0.00 -0.30 1.12 0.58 0.00 0.00 0.00 174.94 176.35 1u8f h VAL 171 N 5.67 1.41 -1.88 2.92 2.07 -1.41 -3.48 116.25 121.55 1u8f h VAL 171 Ca -0.27 -2.04 0.02 0.00 0.82 0.00 0.00 66.70 65.23 1u8f h VAL 171 Cb 1.12 2.53 -0.20 0.00 -1.52 0.00 0.00 31.29 33.21 1u8f h VAL 171 CO 0.80 0.60 0.37 -1.83 0.02 0.00 0.00 177.57 177.53 1u8f s GLU 172 N -3.29 0.85 -0.07 1.57 -1.05 -1.23 -4.87 118.70 110.61 1u8f s GLU 172 Ca -0.13 0.13 -0.21 0.00 -0.15 0.00 0.00 54.97 54.61 1u8f s GLU 172 Cb 0.04 0.40 0.05 0.00 -0.44 0.00 0.00 34.13 34.17 1u8f s GLU 172 CO 0.82 -0.28 0.49 0.20 0.95 0.00 0.00 175.26 177.44 1u8f s GLY 173 N -1.33 -0.36 -0.08 -3.83 0.00 -0.01 -1.25 107.32 100.46 1u8f s GLY 173 Ca -0.05 0.93 0.03 0.00 0.00 0.00 0.00 44.72 45.63 1u8f s GLY 173 CO 0.04 0.67 -0.16 1.08 0.00 0.00 0.00 173.10 174.73 1u8f s LEU 174 N -0.91 1.78 0.04 0.66 1.43 0.02 -2.96 118.68 118.74 1u8f s LEU 174 Ca -0.10 -0.39 0.07 0.00 -1.03 0.00 0.00 54.13 52.68 1u8f s LEU 174 Cb -0.03 -1.03 -0.03 0.00 0.03 0.00 0.00 46.19 45.12 1u8f s LEU 174 CO 0.05 0.07 -0.15 -0.32 0.23 0.00 0.00 176.35 176.23 1u8f s MET 175 N 0.62 2.14 -0.04 1.70 -2.45 0.03 -1.02 119.30 120.28 1u8f s MET 175 Ca -0.15 -0.95 0.03 0.00 -1.25 0.00 0.00 55.69 53.37 1u8f s MET 175 Cb -0.16 -2.25 0.01 0.00 1.25 0.00 0.00 34.83 33.68 1u8f s MET 175 CO 0.04 0.54 -0.11 0.99 1.05 0.00 0.00 175.02 177.53 1u8f s THR 176 N -0.98 1.01 -0.11 10.11 2.01 -0.09 -1.13 115.64 126.46 1u8f s THR 176 Ca 0.16 -0.46 0.03 0.00 0.31 0.00 0.00 61.69 61.73 1u8f s THR 176 Cb -0.11 -0.90 0.00 0.00 0.01 0.00 0.00 72.50 71.51 1u8f s THR 176 CO 0.07 0.31 -0.23 0.28 -0.69 0.00 0.00 174.62 174.36 1u8f s THR 177 N 0.31 2.12 -0.46 -0.82 -1.32 -0.80 -0.15 115.64 114.51 1u8f s THR 177 Ca -0.06 -0.99 -0.18 0.00 -1.21 0.00 0.00 61.69 59.25 1u8f s THR 177 Cb -0.11 -1.82 0.04 0.00 -1.51 0.00 0.00 72.50 69.09 1u8f s THR 177 CO 0.02 0.55 0.52 -0.69 -2.21 0.00 0.00 174.62 172.81 1u8f s VAL 178 N 0.49 5.00 -0.03 5.08 1.01 -0.49 -1.12 120.40 130.34 1u8f s VAL 178 Ca -0.15 -0.42 0.03 0.00 0.00 0.00 0.00 61.98 61.44 1u8f s VAL 178 Cb -0.17 -4.15 -0.03 0.00 0.00 0.00 0.00 36.38 32.03 1u8f s VAL 178 CO 0.05 -0.58 -0.09 -2.28 0.00 0.00 0.00 175.10 172.20 1u8f s HIS 179 N 2.32 2.85 0.83 5.22 5.04 -0.02 -1.23 115.29 130.31 1u8f s HIS 179 Ca 0.13 -0.05 -0.11 0.00 -1.54 0.00 0.00 55.06 53.49 1u8f s HIS 179 Cb -0.18 -1.64 0.09 0.00 0.04 0.00 0.00 32.58 30.89 1u8f s HIS 179 CO 0.13 0.32 1.10 0.00 -2.34 0.00 0.00 174.74 173.95 1u8f s ALA 180 N -0.88 1.93 0.74 1.58 0.00 -1.25 -0.99 121.76 122.88 1u8f s ALA 180 Ca 0.14 0.31 -0.12 0.00 0.00 0.00 0.00 51.96 52.29 1u8f s ALA 180 Cb -0.11 -3.31 0.04 0.00 0.00 0.00 0.00 23.12 19.74 1u8f s ALA 180 CO 0.04 -2.13 1.10 0.96 0.00 0.00 0.00 175.76 175.74 1u8f s ILE 181 N -2.83 3.22 0.35 0.00 -4.36 -0.28 -4.74 121.20 112.57 1u8f s ILE 181 Ca 0.63 0.46 0.04 0.00 -0.26 0.00 0.00 60.65 61.52 1u8f s ILE 181 Cb -0.19 -2.95 -0.03 0.00 1.25 0.00 0.00 42.46 40.55 1u8f s ILE 181 CO 0.57 -0.46 0.16 0.42 0.24 0.00 0.00 174.94 175.87 1u8f s THR 182 N -2.66 0.43 0.65 8.37 -4.23 -1.26 -4.73 115.64 112.20 1u8f s THR 182 Ca 0.64 -2.00 0.43 0.00 -1.18 0.00 0.00 61.69 59.58 1u8f s THR 182 Cb -0.19 -2.45 0.44 0.00 1.34 0.00 0.00 72.50 71.64 1u8f s THR 182 CO 0.50 0.00 2.36 0.00 -0.54 0.00 0.00 174.62 176.94 1u8f h ALA 183 N 2.02 1.05 0.00 3.99 0.00 -1.99 -2.00 119.26 122.33 1u8f h ALA 183 Ca -0.33 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.58 1u8f h ALA 183 Cb 1.26 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.05 1u8f h ALA 183 CO 0.52 0.00 0.00 0.25 0.00 0.00 0.00 179.25 180.02 1u8f n THR 184 N -3.16 0.64 -2.10 0.00 -2.24 -1.26 -4.86 114.28 101.31 1u8f n THR 184 Ca -0.03 -0.17 -0.28 0.00 -2.27 0.00 0.00 64.05 61.30 1u8f n THR 184 Cb 0.08 -0.71 0.12 0.00 -2.10 0.00 0.00 70.33 67.71 1u8f n THR 184 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 1u8f s GLN 185 N -3.15 1.56 0.11 -0.78 -0.21 -0.75 -4.93 119.66 111.50 1u8f s GLN 185 Ca 0.09 -0.34 0.10 0.00 0.02 0.00 0.00 55.36 55.23 1u8f s GLN 185 Cb 0.12 -2.04 -0.04 0.00 1.00 0.00 0.00 33.01 32.05 1u8f s GLN 185 CO 0.55 -1.74 -0.22 0.15 -2.12 0.00 0.00 175.29 171.92 1u8f s LYS 186 N -5.52 1.67 0.22 2.91 -0.14 -1.26 -5.00 119.74 112.62 1u8f s LYS 186 Ca 0.66 -1.22 -0.01 0.00 -1.36 0.00 0.00 55.97 54.04 1u8f s LYS 186 Cb -0.08 -2.03 0.21 0.00 -1.68 0.00 0.00 37.83 34.24 1u8f s LYS 186 CO 0.48 0.48 1.58 1.79 -0.76 0.00 0.00 175.35 178.92 1u8f h THR 187 N 3.75 1.31 -4.23 2.17 1.35 -1.91 0.77 112.91 116.11 1u8f h THR 187 Ca -0.50 -1.62 -0.15 0.00 -0.55 0.00 0.00 66.41 63.59 1u8f h THR 187 Cb 1.17 1.61 -0.15 0.00 -1.73 0.00 0.00 68.15 69.05 1u8f h THR 187 CO 0.43 0.51 -0.67 0.68 -0.25 0.00 0.00 175.52 176.22 1u8f s VAL 188 N -4.18 0.25 -0.43 6.82 -7.23 -1.26 -4.12 120.40 110.25 1u8f s VAL 188 Ca -0.07 -1.86 -0.41 0.00 -1.81 0.00 0.00 61.98 57.83 1u8f s VAL 188 Cb 0.12 -1.70 -0.16 0.00 0.56 0.00 0.00 36.38 35.20 1u8f s VAL 188 CO 0.82 -0.82 2.06 0.47 -0.31 0.00 0.00 175.10 177.33 1u8f n ASP 189 N 0.03 1.37 -3.50 4.85 9.92 -1.26 -4.25 116.55 123.71 1u8f n ASP 189 Ca -0.11 0.69 -0.18 0.00 -0.53 0.00 0.00 54.79 54.66 1u8f n ASP 189 Cb 0.62 -1.03 -0.08 0.00 -0.64 0.00 0.00 41.12 39.99 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 5.86 2.09 0.26 0.44 0.00 0.56 -4.91 107.32 111.61 1u8f s GLY 190 Ca 1.13 -1.95 -0.30 0.00 0.00 0.00 0.00 44.72 43.60 1u8f s GLY 190 CO 0.62 -1.41 1.37 2.56 0.00 0.00 0.00 173.10 176.24 1u8f s PRO 191 N -3.54 4.33 -0.45 2.90 0.04 -1.26 -4.46 135.00 132.56 1u8f s PRO 191 Ca 0.39 2.21 0.06 0.00 0.04 0.00 0.00 61.00 63.71 1u8f s PRO 191 Cb 0.03 -3.12 0.32 0.00 0.04 0.00 0.00 34.50 31.77 1u8f s PRO 191 CO 0.24 -0.31 1.09 0.45 0.04 0.00 0.00 177.00 178.52 1u8f n SER 192 N 2.00 -2.16 -0.37 6.66 2.88 -1.26 -4.84 113.62 116.53 1u8f n SER 192 Ca 0.05 -3.66 0.34 0.00 -1.33 0.00 0.00 58.87 54.26 1u8f n SER 192 Cb 0.41 1.78 0.61 0.00 -0.75 0.00 0.00 64.21 66.26 1u8f n SER 192 CO 0.00 0.00 0.00 1.23 -1.23 0.00 0.00 175.04 175.04 1u8f h GLY 193 N 3.01 1.95 1.75 0.46 0.00 -1.95 -0.26 103.07 108.04 1u8f h GLY 193 Ca -0.09 -0.14 -0.08 0.00 0.00 0.00 0.00 47.33 47.02 1u8f h GLY 193 CO 0.15 -0.66 -0.57 0.50 0.00 0.00 0.00 176.54 175.96 1u8f h LYS 194 N 0.04 0.00 -2.36 4.80 1.57 -2.03 -3.41 116.57 115.18 1u8f h LYS 194 Ca 0.84 0.00 -0.53 0.00 -1.87 0.00 0.00 60.65 59.10 1u8f h LYS 194 Cb 2.36 0.00 -0.37 0.00 0.08 0.00 0.00 32.23 34.31 1u8f h LYS 194 CO -0.65 0.30 -0.84 -0.51 -0.57 0.00 0.00 179.45 177.19 1u8f s LEU 195 N -6.19 0.78 0.21 2.94 1.43 -0.13 -5.04 118.68 112.69 1u8f s LEU 195 Ca 0.03 -2.24 -0.09 0.00 -1.03 0.00 0.00 54.13 50.80 1u8f s LEU 195 Cb 0.07 -0.14 0.30 0.00 0.03 0.00 0.00 46.19 46.44 1u8f s LEU 195 CO 0.74 -0.26 1.72 -0.50 0.23 0.00 0.00 176.35 178.28 1u8f h TRP 196 N 6.67 0.30 -0.61 0.29 4.06 -1.75 -2.12 115.95 122.79 1u8f h TRP 196 Ca 0.10 0.03 0.02 0.00 2.06 0.00 0.00 58.89 61.11 1u8f h TRP 196 Cb 0.98 -0.04 -0.03 0.00 -1.00 0.00 0.00 29.16 29.07 1u8f h TRP 196 CO 0.37 0.03 0.40 0.00 -3.56 0.00 0.00 178.44 175.68 1u8f h ARG 197 N 0.33 0.74 0.00 0.49 3.08 -1.91 -1.97 114.38 115.13 1u8f h ARG 197 Ca 0.32 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.32 1u8f h ARG 197 Cb 0.44 -0.17 0.00 0.00 0.08 0.00 0.00 29.97 30.33 1u8f h ARG 197 CO -0.36 0.49 0.00 -0.25 -1.07 0.00 0.00 179.97 178.78 1u8f n ASP 198 N -4.46 0.45 0.07 7.04 8.00 -0.80 -2.15 116.55 124.70 1u8f n ASP 198 Ca 0.07 0.64 0.12 0.00 0.71 0.00 0.00 54.79 56.33 1u8f n ASP 198 Cb 0.10 -0.73 0.21 0.00 -0.02 0.00 0.00 41.12 40.68 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 -0.45 -1.46 3.77 0.44 0.00 -0.74 -4.01 105.19 102.73 1u8f n GLY 199 Ca 0.01 -0.21 -0.37 0.00 0.00 0.00 0.00 46.02 45.46 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 3.67 -0.44 1.61 1.81 -0.91 -0.33 118.95 121.21 1u8f s ARG 200 Ca 0.07 1.74 -0.44 0.00 -1.72 0.00 0.00 55.73 55.37 1u8f s ARG 200 Cb 0.13 -2.32 -0.18 0.00 -0.45 0.00 0.00 34.95 32.13 1u8f s ARG 200 CO 0.70 -0.62 1.74 0.41 -0.68 0.00 0.00 175.30 176.86 1u8f n GLY 201 N 0.38 0.33 0.19 -3.53 0.00 -1.26 -4.51 105.19 96.79 1u8f n GLY 201 Ca 0.08 1.00 0.05 0.00 0.00 0.00 0.00 46.02 47.16 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 6.50 1.09 0.01 4.61 0.00 -0.99 -2.60 119.26 127.88 1u8f h ALA 202 Ca -0.39 -0.33 -0.20 0.00 0.00 0.00 0.00 54.91 53.98 1u8f h ALA 202 Cb 1.36 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 19.07 1u8f h ALA 202 CO 0.99 0.46 -0.96 1.25 0.00 0.00 0.00 179.25 180.99 1u8f h LEU 203 N 0.00 0.04 0.00 0.00 5.85 -1.79 -3.35 115.31 116.06 1u8f h LEU 203 Ca -0.00 -0.04 0.00 0.00 0.84 0.00 0.00 57.88 58.68 1u8f h LEU 203 Cb 0.81 -0.01 0.00 0.00 0.37 0.00 0.00 40.66 41.83 1u8f h LEU 203 CO 0.05 0.98 -1.04 0.00 -0.34 0.00 0.00 178.44 178.08 1u8f n GLN 204 N -3.43 0.49 -4.35 1.25 6.02 -1.17 -4.79 117.38 111.39 1u8f n GLN 204 Ca -0.01 0.06 -0.22 0.00 -0.01 0.00 0.00 57.00 56.82 1u8f n GLN 204 Cb 0.90 -1.72 -0.11 0.00 1.02 0.00 0.00 30.24 30.33 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 -4.76 2.80 -0.24 1.08 -0.87 -0.99 -5.08 114.94 106.88 1u8f s ASN 205 Ca 0.01 -0.89 -0.12 0.00 -1.57 0.00 0.00 52.86 50.28 1u8f s ASN 205 Cb 0.12 -0.17 -0.05 0.00 -0.02 0.00 0.00 41.25 41.13 1u8f s ASN 205 CO 0.79 -0.03 0.24 -0.63 -2.57 0.00 0.00 177.10 174.90 1u8f s ILE 206 N -2.16 5.29 -0.22 0.60 1.01 -1.26 -4.25 121.20 120.22 1u8f s ILE 206 Ca 0.18 0.34 0.02 0.00 0.00 0.00 0.00 60.65 61.18 1u8f s ILE 206 Cb -0.05 -3.58 0.04 0.00 0.01 0.00 0.00 42.46 38.88 1u8f s ILE 206 CO 0.07 0.29 -0.13 -0.63 0.00 0.00 0.00 174.94 174.54 1u8f s ILE 207 N 1.36 1.98 0.37 2.92 1.01 0.23 -4.92 121.20 124.15 1u8f s ILE 207 Ca 0.11 -1.27 -0.26 0.00 0.00 0.00 0.00 60.65 59.23 1u8f s ILE 207 Cb -0.14 -2.00 -0.09 0.00 0.01 0.00 0.00 42.46 40.24 1u8f s ILE 207 CO 0.07 0.17 1.16 -2.16 0.00 0.00 0.00 174.94 174.18 1u8f s PRO 208 N 1.24 4.20 -0.01 2.79 0.04 -1.26 0.18 135.00 142.18 1u8f s PRO 208 Ca -0.03 1.84 -0.10 0.00 0.04 0.00 0.00 61.00 62.75 1u8f s PRO 208 Cb -0.17 -2.80 0.01 0.00 0.04 0.00 0.00 34.50 31.58 1u8f s PRO 208 CO -0.08 -0.19 0.21 0.00 0.04 0.00 0.00 177.00 176.98 1u8f s ALA 209 N -1.36 -0.52 0.46 8.56 0.00 0.90 -4.83 121.76 124.96 1u8f s ALA 209 Ca 0.54 0.11 -0.18 0.00 0.00 0.00 0.00 51.96 52.43 1u8f s ALA 209 Cb -0.31 0.05 -0.09 0.00 0.00 0.00 0.00 23.12 22.77 1u8f s ALA 209 CO 0.39 -0.22 0.94 -1.12 0.00 0.00 0.00 175.76 175.76 1u8f s SER 210 N -1.22 6.77 -0.21 0.00 0.01 -1.26 -0.50 113.70 117.29 1u8f s SER 210 Ca -0.13 1.59 -0.18 0.00 1.31 0.00 0.00 55.95 58.54 1u8f s SER 210 Cb -0.06 -2.51 0.06 0.00 0.21 0.00 0.00 66.02 63.72 1u8f s SER 210 CO 0.02 -0.45 0.55 0.28 0.41 0.00 0.00 173.24 174.05 1u8f s THR 211 N -2.37 -0.00 -1.97 1.44 -1.32 -1.26 -4.78 115.64 105.37 1u8f s THR 211 Ca 0.60 0.01 0.21 0.00 -1.21 0.00 0.00 61.69 61.30 1u8f s THR 211 Cb -0.10 -0.77 0.61 0.00 -1.51 0.00 0.00 72.50 70.74 1u8f s THR 211 CO 0.22 0.00 1.51 0.61 -2.21 0.00 0.00 174.62 174.76 1u8f n GLY 212 N 3.14 2.25 0.28 6.08 0.00 -1.26 -4.51 105.19 111.16 1u8f n GLY 212 Ca -0.15 -0.75 0.02 0.00 0.00 0.00 0.00 46.02 45.14 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 4.26 1.04 -0.03 4.61 0.00 -1.95 0.29 119.26 127.48 1u8f h ALA 213 Ca 0.00 0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 1u8f h ALA 213 Cb 0.94 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.69 1u8f h ALA 213 CO 0.01 -0.04 -0.03 0.00 0.00 0.00 0.00 179.25 179.19 1u8f h ALA 214 N 1.45 0.05 -0.39 0.00 0.00 -1.89 -2.94 119.26 115.54 1u8f h ALA 214 Ca 0.37 -0.26 0.03 0.00 0.00 0.00 0.00 54.91 55.05 1u8f h ALA 214 Cb 0.41 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.17 1u8f h ALA 214 CO -0.28 -0.18 0.26 -0.22 0.00 0.00 0.00 179.25 178.83 1u8f h LYS 215 N -0.37 0.42 0.00 0.00 3.64 -1.49 -1.43 116.57 117.33 1u8f h LYS 215 Ca 0.01 -0.03 -0.03 0.00 -1.27 0.00 0.00 60.65 59.33 1u8f h LYS 215 Cb 0.52 -0.09 -0.00 0.00 -0.41 0.00 0.00 32.23 32.24 1u8f h LYS 215 CO 0.01 0.28 -0.12 0.00 -2.27 0.00 0.00 179.45 177.34 1u8f h ALA 216 N 1.77 1.48 -0.24 5.00 0.00 -0.26 -1.47 119.26 125.55 1u8f h ALA 216 Ca 0.16 -0.11 0.07 0.00 0.00 0.00 0.00 54.91 55.02 1u8f h ALA 216 Cb 0.10 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 1u8f h ALA 216 CO -0.04 0.15 0.19 0.28 0.00 0.00 0.00 179.25 179.84 1u8f h VAL 217 N 0.00 0.73 0.00 0.00 2.07 -1.11 0.25 116.25 118.19 1u8f h VAL 217 Ca -0.00 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.52 1u8f h VAL 217 Cb 0.28 0.86 0.00 0.00 -1.52 0.00 0.00 31.29 30.91 1u8f h VAL 217 CO 0.02 0.00 0.00 0.61 0.02 0.00 0.00 177.57 178.22 1u8f n GLY 218 N -1.53 -1.14 0.12 2.17 0.00 -0.55 -0.39 105.19 103.87 1u8f n GLY 218 Ca 0.03 0.10 -0.18 0.00 0.00 0.00 0.00 46.02 45.97 1u8f n GLY 218 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1u8f h LYS 219 N 0.00 0.26 0.00 1.61 1.79 -0.66 -3.24 116.57 116.33 1u8f h LYS 219 Ca 0.00 -0.44 0.00 0.00 -2.18 0.00 0.00 60.65 58.03 1u8f h LYS 219 Cb 0.26 0.16 0.00 0.00 -1.58 0.00 0.00 32.23 31.08 1u8f h LYS 219 CO 0.00 1.11 -0.87 -0.39 -1.08 0.00 0.00 179.45 178.22 1u8f h VAL 220 N 0.07 0.00 -2.71 0.50 -1.51 -1.44 -3.40 116.25 107.76 1u8f h VAL 220 Ca -0.30 -0.83 -0.60 0.00 -1.23 0.00 0.00 66.70 63.73 1u8f h VAL 220 Cb 2.04 1.36 -0.39 0.00 -2.13 0.00 0.00 31.29 32.16 1u8f h VAL 220 CO 0.14 0.00 -0.81 -0.63 -1.23 0.00 0.00 177.57 175.04 1u8f s ILE 221 N -3.30 1.05 0.33 7.19 1.01 0.47 -4.52 121.20 123.43 1u8f s ILE 221 Ca 0.02 -2.73 0.12 0.00 0.00 0.00 0.00 60.65 58.05 1u8f s ILE 221 Cb 0.11 -1.72 0.33 0.00 0.01 0.00 0.00 42.46 41.18 1u8f s ILE 221 CO 0.77 -1.05 1.66 -0.65 0.00 0.00 0.00 174.94 175.66 1u8f h PRO 222 N 6.16 0.29 0.00 2.79 0.11 -1.77 0.16 132.00 139.74 1u8f h PRO 222 Ca 0.13 -0.02 -0.00 0.00 0.11 0.00 0.00 66.00 66.22 1u8f h PRO 222 Cb 0.90 -0.06 -0.00 0.00 0.11 0.00 0.00 31.00 31.94 1u8f h PRO 222 CO 0.44 0.19 -0.00 0.93 -0.21 0.00 0.00 178.00 179.35 1u8f h GLU 223 N 0.30 0.00 -0.70 1.05 5.08 -1.94 -1.43 114.58 116.93 1u8f h GLU 223 Ca 0.70 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 59.06 1u8f h GLU 223 Cb 1.56 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.81 1u8f h GLU 223 CO -0.62 0.00 0.00 1.28 -1.00 0.00 0.00 179.01 178.67 1u8f n LEU 224 N -3.08 4.19 -4.71 1.33 4.77 0.04 -4.93 117.00 114.61 1u8f n LEU 224 Ca -0.03 -2.14 -0.42 0.00 -0.03 0.00 0.00 56.01 53.39 1u8f n LEU 224 Cb 0.09 -0.51 -0.03 0.00 -2.33 0.00 0.00 43.42 40.64 1u8f n LEU 224 CO 0.21 0.93 1.34 0.21 -1.33 0.00 0.00 177.39 178.74 1u8f s ASN 225 N -0.98 6.49 0.00 -1.43 3.84 -0.54 -1.66 114.94 120.66 1u8f s ASN 225 Ca 0.49 2.71 0.00 0.00 0.21 0.00 0.00 52.86 56.27 1u8f s ASN 225 Cb 0.28 -2.59 0.00 0.00 -0.55 0.00 0.00 41.25 38.39 1u8f s ASN 225 CO 0.30 -0.92 0.00 0.61 -2.79 0.00 0.00 177.10 174.31 1u8f n GLY 226 N 3.95 0.56 0.54 1.21 0.00 -1.26 -4.85 105.19 105.34 1u8f n GLY 226 Ca 0.16 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.24 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 -2.06 0.92 -3.88 1.61 5.02 -0.66 -5.00 118.16 114.11 1u8f n LYS 227 Ca 0.00 -1.33 -0.11 0.00 -2.02 0.00 0.00 58.31 54.85 1u8f n LYS 227 Cb 0.06 -1.26 -0.11 0.00 -0.02 0.00 0.00 35.03 33.71 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 -1.10 1.69 0.15 -0.35 1.43 -1.25 -0.83 118.68 118.42 1u8f s LEU 228 Ca 0.16 -0.13 -0.23 0.00 -1.03 0.00 0.00 54.13 52.90 1u8f s LEU 228 Cb 0.11 0.48 0.08 0.00 0.03 0.00 0.00 46.19 46.89 1u8f s LEU 228 CO 0.17 -0.25 1.07 0.28 0.23 0.00 0.00 176.35 177.84 1u8f s THR 229 N -0.95 0.00 -1.74 5.49 -1.32 -1.16 -3.40 115.64 112.56 1u8f s THR 229 Ca -0.10 -0.53 0.00 0.00 -1.21 0.00 0.00 61.69 59.84 1u8f s THR 229 Cb -0.06 -2.78 0.00 0.00 -1.51 0.00 0.00 72.50 68.15 1u8f s THR 229 CO 0.01 0.00 0.00 0.61 -2.21 0.00 0.00 174.62 173.03 1u8f n GLY 230 N -0.69 -0.74 3.43 6.08 0.00 -1.26 -0.79 105.19 111.21 1u8f n GLY 230 Ca -0.03 -0.82 -0.13 0.00 0.00 0.00 0.00 46.02 45.04 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 0.82 -4.25 1.61 0.00 -0.28 -4.39 117.12 110.62 1u8f n MET 231 Ca 0.00 -2.59 -0.14 0.00 0.00 0.00 0.00 57.70 54.97 1u8f n MET 231 Cb 0.00 2.68 -0.10 0.00 0.00 0.00 0.00 33.22 35.80 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 -2.56 1.45 -0.12 3.17 0.00 0.34 -1.91 121.76 122.13 1u8f s ALA 232 Ca 0.25 -1.52 -0.01 0.00 0.00 0.00 0.00 51.96 50.68 1u8f s ALA 232 Cb -0.02 0.15 0.03 0.00 0.00 0.00 0.00 23.12 23.28 1u8f s ALA 232 CO 0.18 -0.15 -0.06 -0.06 0.00 0.00 0.00 175.76 175.67 1u8f s PHE 233 N -3.39 1.45 -0.09 0.00 0.08 -0.28 -0.07 117.98 115.68 1u8f s PHE 233 Ca 0.18 -0.76 -0.21 0.00 0.12 0.00 0.00 56.93 56.26 1u8f s PHE 233 Cb 0.03 -1.21 -0.04 0.00 -0.57 0.00 0.00 43.02 41.24 1u8f s PHE 233 CO 0.01 -0.52 0.60 1.03 -0.10 0.00 0.00 175.22 176.25 1u8f s ARG 234 N 1.72 4.39 0.21 0.44 1.81 0.13 -0.84 118.95 126.82 1u8f s ARG 234 Ca 0.04 0.69 0.09 0.00 -1.72 0.00 0.00 55.73 54.84 1u8f s ARG 234 Cb -0.13 -3.44 -0.05 0.00 -0.45 0.00 0.00 34.95 30.88 1u8f s ARG 234 CO -0.08 0.11 -0.18 0.14 -0.68 0.00 0.00 175.30 174.61 1u8f s VAL 235 N 0.70 2.01 -0.24 3.52 -7.23 -0.16 -0.60 120.40 118.41 1u8f s VAL 235 Ca 0.32 -2.17 -0.02 0.00 -1.81 0.00 0.00 61.98 58.31 1u8f s VAL 235 Cb -0.17 -2.06 -0.03 0.00 0.56 0.00 0.00 36.38 34.68 1u8f s VAL 235 CO 0.15 -0.42 1.33 -2.65 -0.31 0.00 0.00 175.10 173.20 1u8f n PRO 236 N -0.20 0.67 -4.28 4.82 -0.02 -1.26 -3.25 135.00 131.49 1u8f n PRO 236 Ca -0.09 -0.66 -0.18 0.00 -2.02 0.00 0.00 63.50 60.54 1u8f n PRO 236 Cb 0.59 -2.00 -0.13 0.00 -0.02 0.00 0.00 33.50 31.94 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 3.86 0.96 -0.35 3.45 -4.23 -1.26 -5.01 115.64 113.06 1u8f s THR 237 Ca 0.14 -0.97 0.25 0.00 -1.18 0.00 0.00 61.69 59.94 1u8f s THR 237 Cb 0.05 -0.89 0.35 0.00 1.34 0.00 0.00 72.50 73.34 1u8f s THR 237 CO -0.01 -0.06 1.69 0.00 -0.54 0.00 0.00 174.62 175.70 1u8f h ALA 238 N 4.91 1.00 -2.17 3.99 0.00 -1.88 -0.72 119.26 124.40 1u8f h ALA 238 Ca -0.37 0.00 0.10 0.00 0.00 0.00 0.00 54.91 54.64 1u8f h ALA 238 Cb 1.19 0.00 -0.16 0.00 0.00 0.00 0.00 17.79 18.81 1u8f h ALA 238 CO 0.44 0.00 0.49 1.21 0.00 0.00 0.00 179.25 181.39 1u8f s ASN 239 N -6.02 -0.37 0.00 0.00 2.47 -1.26 -4.63 114.94 105.13 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 0.38 0.00 0.00 -1.45 0.00 0.00 41.25 40.24 1u8f s ASN 239 CO 0.64 -0.58 0.00 0.52 -3.72 0.00 0.00 177.10 173.96 1u8f n VAL 240 N -0.07 -1.03 -4.50 -5.21 0.31 -1.26 -4.88 118.33 101.69 1u8f n VAL 240 Ca -0.09 0.00 -0.24 0.00 -0.01 0.00 0.00 64.34 63.99 1u8f n VAL 240 Cb 0.61 -1.03 -0.09 0.00 -0.91 0.00 0.00 33.84 32.42 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 -0.56 2.66 -0.07 4.52 0.01 0.07 -3.88 113.70 116.44 1u8f s SER 241 Ca 0.00 -1.60 -0.06 0.00 1.31 0.00 0.00 55.95 55.60 1u8f s SER 241 Cb 0.00 0.37 0.02 0.00 0.21 0.00 0.00 66.02 66.61 1u8f s SER 241 CO 0.00 -0.85 0.18 0.54 0.41 0.00 0.00 173.24 173.52 1u8f s VAL 242 N -3.25 -0.00 -0.10 3.43 0.11 -0.36 -1.33 120.40 118.90 1u8f s VAL 242 Ca 0.27 0.01 -0.11 0.00 -2.93 0.00 0.00 61.98 59.22 1u8f s VAL 242 Cb 0.04 -0.26 -0.05 0.00 -1.53 0.00 0.00 36.38 34.58 1u8f s VAL 242 CO 0.14 0.00 0.25 -0.69 -3.33 0.00 0.00 175.10 171.48 1u8f s VAL 243 N 0.17 5.32 -0.34 2.04 1.01 0.12 -1.40 120.40 127.31 1u8f s VAL 243 Ca -0.01 0.47 0.02 0.00 0.00 0.00 0.00 61.98 62.47 1u8f s VAL 243 Cb -0.02 -3.55 0.10 0.00 0.00 0.00 0.00 36.38 32.92 1u8f s VAL 243 CO -0.00 0.55 0.08 -0.62 0.00 0.00 0.00 175.10 175.11 1u8f s ASP 244 N -0.64 4.48 -0.31 3.32 3.68 0.78 -1.46 116.67 126.52 1u8f s ASP 244 Ca 0.17 -2.06 -0.10 0.00 2.13 0.00 0.00 52.55 52.69 1u8f s ASP 244 Cb -0.14 -1.37 -0.01 0.00 -1.45 0.00 0.00 42.92 39.95 1u8f s ASP 244 CO 0.06 -0.38 0.17 -0.22 0.13 0.00 0.00 175.17 174.93 1u8f s LEU 245 N 1.04 4.15 -0.32 -1.34 2.96 0.25 -0.91 118.68 124.51 1u8f s LEU 245 Ca 0.11 -0.44 -0.10 0.00 -0.22 0.00 0.00 54.13 53.48 1u8f s LEU 245 Cb -0.19 -2.04 -0.01 0.00 0.50 0.00 0.00 46.19 44.46 1u8f s LEU 245 CO -0.13 -0.18 0.17 -0.89 -1.32 0.00 0.00 176.35 174.01 1u8f s THR 246 N 1.65 4.75 0.05 3.68 2.01 -0.19 0.18 115.64 127.78 1u8f s THR 246 Ca 0.05 -0.39 0.01 0.00 0.31 0.00 0.00 61.69 61.67 1u8f s THR 246 Cb -0.17 -3.43 -0.03 0.00 0.01 0.00 0.00 72.50 68.88 1u8f s THR 246 CO 0.07 0.04 -0.06 0.00 -0.69 0.00 0.00 174.62 173.99 1u8f s ARG 248 N -2.63 3.89 0.06 0.00 3.52 -0.38 -1.84 118.95 121.57 1u8f s ARG 248 Ca -0.02 -0.39 0.01 0.00 -0.13 0.00 0.00 55.73 55.20 1u8f s ARG 248 Cb -0.02 -3.13 -0.04 0.00 -1.56 0.00 0.00 34.95 30.20 1u8f s ARG 248 CO -0.03 0.26 0.12 -0.51 -0.81 0.00 0.00 175.30 174.33 1u8f s LEU 249 N 0.38 4.01 -0.09 -0.88 1.43 0.34 -1.04 118.68 122.83 1u8f s LEU 249 Ca 0.01 0.11 -0.25 0.00 -1.03 0.00 0.00 54.13 52.97 1u8f s LEU 249 Cb -0.13 -2.61 -0.21 0.00 0.03 0.00 0.00 46.19 43.27 1u8f s LEU 249 CO 0.01 0.19 0.87 -0.08 0.23 0.00 0.00 176.35 177.56 1u8f h GLU 250 N 3.33 -0.04 -6.24 1.70 4.81 -0.70 -3.45 114.58 114.00 1u8f h GLU 250 Ca -0.46 0.00 -0.57 0.00 -0.13 0.00 0.00 59.36 58.20 1u8f h GLU 250 Cb 1.16 0.01 -0.04 0.00 0.63 0.00 0.00 28.75 30.52 1u8f h GLU 250 CO 0.69 0.64 -0.17 0.15 -0.73 0.00 0.00 179.01 179.58 1u8f s LYS 251 N -2.95 3.83 0.20 1.92 1.02 -0.20 -5.03 119.74 118.54 1u8f s LYS 251 Ca -0.16 0.28 -0.33 0.00 0.02 0.00 0.00 55.97 55.79 1u8f s LYS 251 Cb -0.01 -2.91 -0.13 0.00 -0.52 0.00 0.00 37.83 34.26 1u8f s LYS 251 CO 0.59 0.49 1.61 -2.30 -0.92 0.00 0.00 175.35 174.82 1u8f n PRO 252 N 0.66 2.41 -3.59 -1.68 -0.02 -1.26 -4.84 135.00 126.67 1u8f n PRO 252 Ca -0.05 0.87 -0.29 0.00 -2.02 0.00 0.00 63.50 62.00 1u8f n PRO 252 Cb 0.52 -2.65 -0.14 0.00 -0.02 0.00 0.00 33.50 31.21 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 0.78 1.18 0.56 3.55 0.00 0.49 -5.03 121.76 123.29 1u8f s ALA 253 Ca 0.75 -1.70 -0.20 0.00 0.00 0.00 0.00 51.96 50.80 1u8f s ALA 253 Cb -0.60 -1.59 -0.04 0.00 0.00 0.00 0.00 23.12 20.89 1u8f s ALA 253 CO 0.39 -1.86 1.23 0.15 0.00 0.00 0.00 175.76 175.67 1u8f s LYS 254 N 1.40 3.13 0.33 0.00 1.02 -1.26 -4.65 119.74 119.71 1u8f s LYS 254 Ca 0.13 1.91 0.05 0.00 0.02 0.00 0.00 55.97 58.08 1u8f s LYS 254 Cb -0.20 -2.08 0.69 0.00 -0.52 0.00 0.00 37.83 35.73 1u8f s LYS 254 CO -0.17 -1.10 1.87 -0.92 -0.92 0.00 0.00 175.35 174.12 1u8f h TYR 255 N 1.20 0.94 -0.10 3.18 3.20 -1.95 -0.32 116.97 123.12 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 1.29 -0.30 -0.01 0.00 1.54 0.00 0.00 36.73 39.25 1u8f h TYR 255 CO 0.47 0.39 -0.13 -0.44 -1.64 0.00 0.00 178.16 176.81 1u8f h ASP 256 N 0.83 0.14 0.51 -2.11 3.32 -1.99 -0.92 116.42 116.21 1u8f h ASP 256 Ca 0.44 -0.03 -0.17 0.00 0.02 0.00 0.00 57.03 57.30 1u8f h ASP 256 Cb 0.54 -0.04 -0.01 0.00 0.22 0.00 0.00 39.33 40.04 1u8f h ASP 256 CO -0.21 0.30 -0.75 0.44 -1.72 0.00 0.00 179.24 177.30 1u8f h ASP 257 N 0.15 0.23 -0.35 6.45 3.32 -1.43 -1.49 116.42 123.30 1u8f h ASP 257 Ca 0.03 -0.16 -0.05 0.00 0.02 0.00 0.00 57.03 56.87 1u8f h ASP 257 Cb 0.33 -0.07 -0.01 0.00 0.22 0.00 0.00 39.33 39.80 1u8f h ASP 257 CO 0.02 0.89 0.03 0.40 -1.72 0.00 0.00 179.24 178.86 1u8f h ILE 258 N 0.12 1.25 -0.62 0.35 2.04 -0.72 -1.95 117.51 117.98 1u8f h ILE 258 Ca -0.02 -0.91 0.00 0.00 1.00 0.00 0.00 64.86 64.93 1u8f h ILE 258 Cb 1.32 1.16 -0.03 0.00 -0.74 0.00 0.00 36.82 38.53 1u8f h ILE 258 CO 0.11 0.30 0.39 0.11 0.00 0.00 0.00 178.15 179.07 1u8f h LYS 259 N 0.42 0.83 -0.23 2.37 1.57 -1.08 -2.00 116.57 118.46 1u8f h LYS 259 Ca 0.10 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.82 1u8f h LYS 259 Cb 0.41 -0.18 -0.01 0.00 0.08 0.00 0.00 32.23 32.53 1u8f h LYS 259 CO 0.01 0.58 0.14 0.87 -0.57 0.00 0.00 179.45 180.48 1u8f h LYS 260 N 0.84 0.30 -0.30 3.15 1.57 -1.06 -0.60 116.57 120.48 1u8f h LYS 260 Ca 0.23 -0.02 -0.12 0.00 -1.87 0.00 0.00 60.65 58.86 1u8f h LYS 260 Cb -0.06 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.17 1u8f h LYS 260 CO -0.05 0.23 -0.32 -0.39 -0.57 0.00 0.00 179.45 178.36 1u8f h VAL 261 N 0.29 1.28 -0.41 0.50 -1.51 -1.24 -1.36 116.25 113.80 1u8f h VAL 261 Ca 0.08 -1.44 -0.15 0.00 -1.23 0.00 0.00 66.70 63.97 1u8f h VAL 261 Cb -0.00 1.40 -0.01 0.00 -2.13 0.00 0.00 31.29 30.55 1u8f h VAL 261 CO -0.02 0.46 -0.32 0.58 -1.23 0.00 0.00 177.57 177.05 1u8f h VAL 262 N 0.54 1.27 -0.59 7.19 2.07 -1.23 -1.42 116.25 124.08 1u8f h VAL 262 Ca 0.06 -1.49 -0.06 0.00 0.82 0.00 0.00 66.70 66.04 1u8f h VAL 262 Cb 0.81 1.32 -0.02 0.00 -1.52 0.00 0.00 31.29 31.87 1u8f h VAL 262 CO 0.07 0.50 0.14 0.50 0.02 0.00 0.00 177.57 178.80 1u8f h LYS 263 N 0.76 0.94 -0.75 1.57 3.64 -1.00 -0.94 116.57 120.80 1u8f h LYS 263 Ca 0.08 -0.23 -0.01 0.00 -1.27 0.00 0.00 60.65 59.22 1u8f h LYS 263 Cb 0.91 -0.12 -0.04 0.00 -0.41 0.00 0.00 32.23 32.57 1u8f h LYS 263 CO 0.08 0.87 0.43 0.37 -2.27 0.00 0.00 179.45 178.93 1u8f h GLN 264 N 0.85 1.03 -0.59 1.90 4.15 -1.12 -1.80 115.11 119.54 1u8f h GLN 264 Ca 0.18 -0.11 -0.07 0.00 0.77 0.00 0.00 58.65 59.42 1u8f h GLN 264 Cb 0.35 -0.21 -0.02 0.00 0.21 0.00 0.00 27.48 27.81 1u8f h GLN 264 CO 0.00 0.75 0.08 0.00 -1.93 0.00 0.00 178.83 177.74 1u8f h ALA 265 N 1.22 0.79 0.00 3.38 0.00 -0.94 -2.01 119.26 121.70 1u8f h ALA 265 Ca 0.27 -0.26 -0.06 0.00 0.00 0.00 0.00 54.91 54.85 1u8f h ALA 265 Cb 0.01 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 1u8f h ALA 265 CO -0.05 0.55 -0.28 0.66 0.00 0.00 0.00 179.25 180.14 1u8f h SER 266 N 0.89 0.00 0.50 0.00 4.64 -0.77 -1.75 113.55 117.05 1u8f h SER 266 Ca 0.18 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.50 1u8f h SER 266 Cb 0.44 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.53 1u8f h SER 266 CO 0.01 0.28 -0.52 -0.62 -0.87 0.00 0.00 176.83 175.11 1u8f n GLU 267 N -4.08 0.01 0.00 4.77 1.02 -0.71 -3.23 120.64 118.41 1u8f n GLU 267 Ca -0.02 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.12 1u8f n GLU 267 Cb 0.33 -1.51 0.00 0.00 -0.02 0.00 0.00 31.44 30.25 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 1.49 1.37 0.34 0.62 0.00 -0.77 -4.81 105.19 103.43 1u8f n GLY 268 Ca 0.05 0.00 0.18 0.00 0.00 0.00 0.00 46.02 46.26 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 -0.20 1.61 0.13 -1.82 -2.28 132.00 129.43 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 -3.26 3.09 -4.67 1.56 4.77 -0.70 -5.01 117.00 112.77 1u8f n LEU 270 Ca -0.01 -2.60 -0.46 0.00 -0.03 0.00 0.00 56.01 52.91 1u8f n LEU 270 Cb 0.27 -0.36 -0.04 0.00 -2.33 0.00 0.00 43.42 40.96 1u8f n LEU 270 CO 0.20 0.67 1.27 1.17 -1.33 0.00 0.00 177.39 179.38 1u8f n LYS 271 N -0.37 2.20 0.00 3.23 4.81 -0.86 -0.79 118.16 126.38 1u8f n LYS 271 Ca 0.15 0.80 0.00 0.00 -0.87 0.00 0.00 58.31 58.38 1u8f n LYS 271 Cb 0.63 -2.59 0.00 0.00 0.02 0.00 0.00 35.03 33.08 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 3.67 3.32 0.25 3.14 0.00 -1.26 -4.80 105.19 109.51 1u8f n GLY 272 Ca 0.18 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.09 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 -1.75 1.42 -3.72 -0.61 2.08 0.03 -4.24 119.36 112.56 1u8f n ILE 273 Ca 0.00 0.07 -0.37 0.00 0.56 0.00 0.00 62.75 63.01 1u8f n ILE 273 Cb 0.00 -2.14 -0.12 0.00 -0.75 0.00 0.00 39.64 36.62 1u8f n ILE 273 CO 0.00 0.00 0.00 -0.22 0.56 0.00 0.00 176.55 176.89 1u8f s LEU 274 N -7.66 3.62 0.43 1.39 2.96 -0.12 -0.43 118.68 118.86 1u8f s LEU 274 Ca -0.26 -0.27 0.08 0.00 -0.22 0.00 0.00 54.13 53.45 1u8f s LEU 274 Cb 0.05 -1.95 0.01 0.00 0.50 0.00 0.00 46.19 44.81 1u8f s LEU 274 CO 0.37 -0.07 0.58 -0.83 -1.32 0.00 0.00 176.35 175.08 1u8f s GLY 275 N 1.62 1.94 -0.08 7.98 0.00 0.37 -4.25 107.32 114.91 1u8f s GLY 275 Ca 0.06 -1.69 -0.04 0.00 0.00 0.00 0.00 44.72 43.04 1u8f s GLY 275 CO 0.05 -1.50 0.19 -0.47 0.00 0.00 0.00 173.10 171.37 1u8f s TYR 276 N -2.37 -0.23 0.02 1.90 5.04 -1.26 -1.25 117.35 119.20 1u8f s TYR 276 Ca 0.55 0.60 -0.07 0.00 -2.44 0.00 0.00 57.07 55.70 1u8f s TYR 276 Cb -0.10 -0.01 -0.00 0.00 0.35 0.00 0.00 41.96 42.21 1u8f s TYR 276 CO 0.33 -0.18 0.14 -0.08 -1.34 0.00 0.00 175.55 174.43 1u8f s THR 277 N 0.99 0.10 0.00 4.34 -1.32 -0.75 -4.95 115.64 114.06 1u8f s THR 277 Ca -0.07 -0.81 0.00 0.00 -1.21 0.00 0.00 61.69 59.60 1u8f s THR 277 Cb -0.09 -0.62 0.00 0.00 -1.51 0.00 0.00 72.50 70.28 1u8f s THR 277 CO -0.06 -0.45 0.56 -0.62 -2.21 0.00 0.00 174.62 171.85 1u8f n GLU 278 N 1.16 -0.13 -1.51 7.08 1.02 -1.26 -1.87 120.64 125.13 1u8f n GLU 278 Ca -0.21 -0.66 -0.31 0.00 -0.02 0.00 0.00 57.16 55.96 1u8f n GLU 278 Cb 0.57 -0.96 0.06 0.00 -0.02 0.00 0.00 31.44 31.09 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 2.90 -1.45 -0.32 3.76 -1.26 -4.69 115.29 114.04 1u8f s HIS 279 Ca 0.00 1.48 -0.12 0.00 -0.15 0.00 0.00 55.06 56.27 1u8f s HIS 279 Cb 0.00 -2.96 0.05 0.00 1.11 0.00 0.00 32.58 30.78 1u8f s HIS 279 CO 0.00 -1.44 2.30 1.04 -0.85 0.00 0.00 174.74 175.80 1u8f n GLN 280 N -3.14 3.27 -2.08 1.40 1.13 -1.26 -4.83 117.38 111.86 1u8f n GLN 280 Ca 0.08 -2.77 -0.30 0.00 -1.94 0.00 0.00 57.00 52.08 1u8f n GLN 280 Cb 0.53 -3.09 0.01 0.00 0.11 0.00 0.00 30.24 27.81 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 2.18 4.63 0.28 5.09 -7.23 -1.26 -5.11 120.40 118.98 1u8f s VAL 281 Ca 0.50 0.65 0.02 0.00 -1.81 0.00 0.00 61.98 61.34 1u8f s VAL 281 Cb 0.14 -3.83 -0.05 0.00 0.56 0.00 0.00 36.38 33.20 1u8f s VAL 281 CO -0.07 -1.01 0.09 0.68 -0.31 0.00 0.00 175.10 174.48 1u8f s VAL 282 N -3.08 0.75 0.25 1.32 -7.23 -1.26 -5.05 120.40 106.10 1u8f s VAL 282 Ca 0.53 -2.00 -0.03 0.00 -1.81 0.00 0.00 61.98 58.67 1u8f s VAL 282 Cb -0.11 -2.69 0.25 0.00 0.56 0.00 0.00 36.38 34.39 1u8f s VAL 282 CO 0.51 0.00 1.69 0.77 -0.31 0.00 0.00 175.10 177.76 1u8f h SER 283 N 2.30 0.07 -0.00 4.85 4.64 -1.98 -1.45 113.55 121.98 1u8f h SER 283 Ca -0.39 0.15 0.00 0.00 -0.47 0.00 0.00 61.79 61.08 1u8f h SER 283 Cb 1.25 0.19 -0.00 0.00 -0.31 0.00 0.00 62.40 63.52 1u8f h SER 283 CO 0.63 -0.03 0.00 0.77 -0.87 0.00 0.00 176.83 177.34 1u8f h SER 284 N 0.30 0.00 0.43 4.97 4.64 -1.97 -1.04 113.55 120.88 1u8f h SER 284 Ca 0.44 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.76 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 -0.52 0.00 0.00 0.47 -0.87 0.00 0.00 176.83 175.91 1u8f n ASP 285 N -3.39 0.05 -0.69 4.97 8.00 -0.55 -1.98 116.55 122.96 1u8f n ASP 285 Ca -0.03 0.51 0.06 0.00 0.71 0.00 0.00 54.79 56.05 1u8f n ASP 285 Cb 0.08 -0.53 0.16 0.00 -0.02 0.00 0.00 41.12 40.81 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 -1.56 0.45 -2.06 1.24 3.72 -0.39 -4.90 117.46 113.95 1u8f n PHE 286 Ca 0.03 -0.43 -0.42 0.00 -0.05 0.00 0.00 57.45 56.58 1u8f n PHE 286 Cb 0.14 -0.02 -0.03 0.00 -0.94 0.00 0.00 39.48 38.64 1u8f n PHE 286 CO 0.00 0.00 0.00 1.21 -0.05 0.00 0.00 176.76 177.92 1u8f s ASN 287 N -1.01 6.71 -0.75 4.37 2.47 -0.84 -1.38 114.94 124.52 1u8f s ASN 287 Ca 0.25 2.39 0.00 0.00 0.42 0.00 0.00 52.86 55.92 1u8f s ASN 287 Cb 0.13 -2.58 0.00 0.00 -1.45 0.00 0.00 41.25 37.36 1u8f s ASN 287 CO 0.18 -0.77 0.00 -1.20 -3.72 0.00 0.00 177.10 171.58 1u8f n SER 288 N 4.74 -4.09 -4.69 -4.21 7.64 -1.26 -4.99 113.62 106.75 1u8f n SER 288 Ca 0.14 0.18 -0.41 0.00 1.01 0.00 0.00 58.87 59.78 1u8f n SER 288 Cb 0.41 -2.21 -0.04 0.00 -1.01 0.00 0.00 64.21 61.36 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 -2.74 7.02 0.00 6.43 -1.08 -0.48 -4.96 116.67 120.87 1u8f s ASP 289 Ca 0.00 1.24 0.29 0.00 -0.52 0.00 0.00 52.55 53.57 1u8f s ASP 289 Cb 0.00 -2.45 1.63 0.00 -1.46 0.00 0.00 42.92 40.64 1u8f s ASP 289 CO 0.00 -0.27 2.06 0.35 0.52 0.00 0.00 175.17 177.83 1u8f n THR 290 N 4.27 0.03 -1.62 1.71 -2.24 -1.26 -3.63 114.28 111.53 1u8f n THR 290 Ca 0.02 0.01 -0.33 0.00 -2.27 0.00 0.00 64.05 61.49 1u8f n THR 290 Cb 0.50 -0.54 0.06 0.00 -2.10 0.00 0.00 70.33 68.25 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 -2.27 2.59 -0.11 4.78 3.76 -1.26 -4.53 115.29 118.26 1u8f s HIS 291 Ca 0.37 1.55 0.15 0.00 -0.15 0.00 0.00 55.06 56.98 1u8f s HIS 291 Cb 0.20 -3.15 -0.07 0.00 1.11 0.00 0.00 32.58 30.67 1u8f s HIS 291 CO 0.39 -1.74 1.09 0.77 -0.85 0.00 0.00 174.74 174.40 1u8f h SER 292 N -0.28 0.00 -2.95 1.40 0.02 -0.93 -3.39 113.55 107.43 1u8f h SER 292 Ca -0.46 0.00 0.04 0.00 -0.84 0.00 0.00 61.79 60.53 1u8f h SER 292 Cb 1.24 0.00 -0.22 0.00 0.14 0.00 0.00 62.40 63.56 1u8f h SER 292 CO 0.53 0.61 0.09 -0.55 -1.14 0.00 0.00 176.83 176.38 1u8f s SER 293 N -6.14 -0.86 -0.25 3.07 0.15 -0.60 -3.56 113.70 105.51 1u8f s SER 293 Ca -0.00 1.39 0.01 0.00 0.70 0.00 0.00 55.95 58.05 1u8f s SER 293 Cb 0.08 1.36 0.07 0.00 -1.71 0.00 0.00 66.02 65.82 1u8f s SER 293 CO 0.79 -0.22 -0.03 -0.89 1.20 0.00 0.00 173.24 174.08 1u8f s THR 294 N 1.54 1.58 0.16 6.45 2.01 -0.11 0.14 115.64 127.41 1u8f s THR 294 Ca -0.09 -1.36 -0.31 0.00 0.31 0.00 0.00 61.69 60.23 1u8f s THR 294 Cb -0.05 -1.89 -0.10 0.00 0.01 0.00 0.00 72.50 70.47 1u8f s THR 294 CO -0.18 -0.19 1.64 0.12 -0.69 0.00 0.00 174.62 175.32 1u8f s PHE 295 N 1.35 2.84 -0.61 4.92 5.36 -0.38 -0.87 117.98 130.59 1u8f s PHE 295 Ca -0.03 0.45 -0.12 0.00 -0.96 0.00 0.00 56.93 56.27 1u8f s PHE 295 Cb -0.19 -4.01 0.15 0.00 -0.34 0.00 0.00 43.02 38.64 1u8f s PHE 295 CO -0.08 -3.85 0.51 0.34 -1.46 0.00 0.00 175.22 170.69 1u8f s ASP 296 N 1.50 6.06 0.15 6.13 -1.08 0.43 -1.80 116.67 128.06 1u8f s ASP 296 Ca 0.73 -2.21 -0.17 0.00 -0.52 0.00 0.00 52.55 50.38 1u8f s ASP 296 Cb -0.45 -2.10 0.04 0.00 -1.46 0.00 0.00 42.92 38.95 1u8f s ASP 296 CO 0.32 -0.66 1.75 0.00 0.52 0.00 0.00 175.17 177.09 1u8f h ALA 297 N 8.21 0.37 0.00 3.66 0.00 -1.66 -2.98 119.26 126.86 1u8f h ALA 297 Ca -0.12 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 1u8f h ALA 297 Cb 1.06 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.87 1u8f h ALA 297 CO 0.86 -0.29 -0.05 0.78 0.00 0.00 0.00 179.25 180.55 1u8f h GLY 298 N 0.24 0.00 1.70 0.00 0.00 -1.84 -3.25 103.07 99.93 1u8f h GLY 298 Ca 0.15 0.00 -0.19 0.00 0.00 0.00 0.00 47.33 47.28 1u8f h GLY 298 CO -0.16 0.00 -1.05 0.00 0.00 0.00 0.00 176.54 175.33 1u8f h ALA 299 N 1.95 0.54 -2.42 3.60 0.00 -1.90 -3.47 119.26 117.56 1u8f h ALA 299 Ca -0.00 -0.89 -0.46 0.00 0.00 0.00 0.00 54.91 53.56 1u8f h ALA 299 Cb 0.61 0.02 0.14 0.00 0.00 0.00 0.00 17.79 18.56 1u8f h ALA 299 CO 0.01 1.12 0.26 0.20 0.00 0.00 0.00 179.25 180.84 1u8f s GLY 300 N -4.73 1.58 -0.15 0.00 0.00 -1.21 -4.91 107.32 97.91 1u8f s GLY 300 Ca 0.00 -0.39 -0.18 0.00 0.00 0.00 0.00 44.72 44.15 1u8f s GLY 300 CO 0.80 0.16 0.49 -1.50 0.00 0.00 0.00 173.10 173.05 1u8f s ILE 301 N -3.13 0.01 -0.01 0.90 2.07 -0.86 -5.02 121.20 115.15 1u8f s ILE 301 Ca 0.64 -0.07 0.04 0.00 -1.41 0.00 0.00 60.65 59.85 1u8f s ILE 301 Cb -0.16 -0.72 -0.03 0.00 0.13 0.00 0.00 42.46 41.68 1u8f s ILE 301 CO 0.55 -0.04 -0.13 0.00 -1.91 0.00 0.00 174.94 173.42 1u8f s ALA 302 N -0.11 2.76 -0.10 1.50 0.00 -1.26 -1.02 121.76 123.53 1u8f s ALA 302 Ca -0.03 -1.05 -0.08 0.00 0.00 0.00 0.00 51.96 50.80 1u8f s ALA 302 Cb -0.03 -0.96 -0.27 0.00 0.00 0.00 0.00 23.12 21.85 1u8f s ALA 302 CO 0.02 0.58 0.45 1.25 0.00 0.00 0.00 175.76 178.06 1u8f h LEU 303 N 4.89 0.47 0.00 0.00 5.85 -1.64 -3.49 115.31 121.38 1u8f h LEU 303 Ca -0.47 -0.95 -0.04 0.00 0.84 0.00 0.00 57.88 57.26 1u8f h LEU 303 Cb 1.16 -0.15 0.00 0.00 0.37 0.00 0.00 40.66 42.04 1u8f h LEU 303 CO 0.51 1.84 0.15 -0.46 -0.34 0.00 0.00 178.44 180.13 1u8f n ASN 304 N -3.54 -1.41 0.00 1.25 0.23 -1.17 -5.02 115.26 105.61 1u8f n ASN 304 Ca -0.30 -2.05 0.04 0.00 -0.53 0.00 0.00 54.58 51.74 1u8f n ASN 304 Cb 1.05 2.38 0.20 0.00 -2.08 0.00 0.00 39.78 41.33 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 -1.40 0.00 0.00 0.53 8.00 -1.26 -2.85 116.55 119.57 1u8f n ASP 305 Ca -0.05 0.44 0.00 0.00 0.71 0.00 0.00 54.79 55.89 1u8f n ASP 305 Cb 0.38 -0.47 0.00 0.00 -0.02 0.00 0.00 41.12 41.02 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 -1.47 0.00 -3.55 1.24 8.25 -1.26 -0.38 115.22 118.06 1u8f n HIS 306 Ca 0.03 -0.18 -0.22 0.00 -0.26 0.00 0.00 57.72 57.08 1u8f n HIS 306 Cb 0.10 -0.02 -0.15 0.00 1.12 0.00 0.00 29.99 31.04 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 -0.36 -0.03 0.09 4.41 5.36 -1.13 -0.50 117.98 125.82 1u8f s PHE 307 Ca 0.00 -0.09 -0.00 0.00 -0.96 0.00 0.00 56.93 55.88 1u8f s PHE 307 Cb 0.00 -0.54 -0.04 0.00 -0.34 0.00 0.00 43.02 42.10 1u8f s PHE 307 CO 0.00 -0.57 -0.01 0.14 -1.46 0.00 0.00 175.22 173.32 1u8f s VAL 308 N 2.23 0.31 -0.21 3.12 -7.23 -0.77 -1.45 120.40 116.41 1u8f s VAL 308 Ca 0.05 -1.87 -0.00 0.00 -1.81 0.00 0.00 61.98 58.34 1u8f s VAL 308 Cb -0.16 -1.74 0.02 0.00 0.56 0.00 0.00 36.38 35.07 1u8f s VAL 308 CO -0.12 -0.79 -0.14 -0.75 -0.31 0.00 0.00 175.10 172.99 1u8f s LYS 309 N -3.94 2.93 -0.10 4.82 2.20 -0.19 -0.98 119.74 124.48 1u8f s LYS 309 Ca 0.14 -0.89 -0.02 0.00 -0.36 0.00 0.00 55.97 54.84 1u8f s LYS 309 Cb 0.07 -2.76 -0.03 0.00 -1.51 0.00 0.00 37.83 33.60 1u8f s LYS 309 CO -0.05 -0.29 -0.02 -0.51 -0.36 0.00 0.00 175.35 174.12 1u8f s LEU 310 N 1.30 3.41 -0.11 5.43 1.43 0.13 -2.04 118.68 128.23 1u8f s LEU 310 Ca 0.02 0.03 0.01 0.00 -1.03 0.00 0.00 54.13 53.17 1u8f s LEU 310 Cb -0.15 -1.78 -0.02 0.00 0.03 0.00 0.00 46.19 44.27 1u8f s LEU 310 CO -0.09 0.31 -0.14 -0.63 0.23 0.00 0.00 176.35 176.03 1u8f s ILE 311 N -0.50 2.97 -0.04 -0.59 -1.09 -1.26 -0.58 121.20 120.11 1u8f s ILE 311 Ca 0.08 -0.70 -0.01 0.00 -2.23 0.00 0.00 60.65 57.78 1u8f s ILE 311 Cb -0.12 -2.22 0.03 0.00 -1.58 0.00 0.00 42.46 38.57 1u8f s ILE 311 CO 0.02 0.54 0.08 -0.55 -1.23 0.00 0.00 174.94 173.80 1u8f s SER 312 N 0.17 -0.02 0.33 3.58 0.15 -0.53 -0.43 113.70 116.95 1u8f s SER 312 Ca -0.08 0.15 -0.07 0.00 0.70 0.00 0.00 55.95 56.65 1u8f s SER 312 Cb -0.15 0.05 -0.06 0.00 -1.71 0.00 0.00 66.02 64.15 1u8f s SER 312 CO 0.05 -0.12 0.64 0.26 1.20 0.00 0.00 173.24 175.26 1u8f s TRP 313 N 1.00 3.47 -0.24 3.44 0.52 -0.05 0.11 118.94 127.19 1u8f s TRP 313 Ca -0.08 0.82 -0.13 0.00 0.02 0.00 0.00 56.10 56.73 1u8f s TRP 313 Cb -0.11 -2.25 0.08 0.00 -1.15 0.00 0.00 33.47 30.04 1u8f s TRP 313 CO -0.04 0.07 0.58 1.52 0.02 0.00 0.00 176.95 179.10 1u8f s TYR 314 N -2.17 -0.91 -0.66 -1.98 -0.85 -0.45 -0.94 117.35 109.40 1u8f s TYR 314 Ca 0.47 1.82 -0.27 0.00 -0.52 0.00 0.00 57.07 58.57 1u8f s TYR 314 Cb -0.11 0.50 0.03 0.00 0.38 0.00 0.00 41.96 42.76 1u8f s TYR 314 CO 0.30 -0.47 1.30 0.34 -1.52 0.00 0.00 175.55 175.49 1u8f s ASP 315 N 1.65 6.21 0.59 -0.18 -1.08 -1.26 -0.75 116.67 121.84 1u8f s ASP 315 Ca -0.09 -0.15 0.29 0.00 -0.52 0.00 0.00 52.55 52.07 1u8f s ASP 315 Cb -0.07 -2.55 1.74 0.00 -1.46 0.00 0.00 42.92 40.57 1u8f s ASP 315 CO -0.17 -1.74 2.19 -0.55 0.52 0.00 0.00 175.17 175.42 1u8f h ASN 316 N 10.22 0.00 0.00 -0.34 -1.07 -1.90 -1.41 115.58 121.08 1u8f h ASN 316 Ca -0.27 0.00 -0.17 0.00 0.07 0.00 0.00 56.30 55.93 1u8f h ASN 316 Cb 1.06 0.00 -0.03 0.00 -2.07 0.00 0.00 38.32 37.29 1u8f h ASN 316 CO 1.24 0.00 -1.02 -0.33 0.07 0.00 0.00 177.43 177.38 1u8f h GLU 317 N 0.00 0.00 -0.07 4.14 5.08 -1.97 -3.38 114.58 118.38 1u8f h GLU 317 Ca 0.04 0.00 -0.10 0.00 -1.00 0.00 0.00 59.36 58.30 1u8f h GLU 317 Cb 0.21 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.47 1u8f h GLU 317 CO -0.00 0.78 -0.34 0.35 -1.00 0.00 0.00 179.01 178.80 1u8f h PHE 318 N -1.00 0.47 0.19 4.33 3.04 -1.85 -2.52 116.94 119.60 1u8f h PHE 318 Ca -0.26 -0.21 -0.01 0.00 3.98 0.00 0.00 57.97 61.47 1u8f h PHE 318 Cb 1.11 -0.07 0.00 0.00 2.56 0.00 0.00 35.95 39.55 1u8f h PHE 318 CO 0.04 0.96 -0.09 0.78 -2.02 0.00 0.00 178.31 177.98 1u8f h GLY 319 N -0.14 -0.27 0.90 2.40 0.00 -1.32 -2.24 103.07 102.40 1u8f h GLY 319 Ca -0.02 0.10 0.03 0.00 0.00 0.00 0.00 47.33 47.43 1u8f h GLY 319 CO 0.07 -0.10 0.51 -1.82 0.00 0.00 0.00 176.54 175.21 1u8f h TYR 320 N -0.36 0.97 -0.74 5.60 3.20 -1.69 -1.41 116.97 122.53 1u8f h TYR 320 Ca -0.03 0.02 -0.03 0.00 3.14 0.00 0.00 58.73 61.84 1u8f h TYR 320 Cb 0.28 -0.32 -0.03 0.00 1.54 0.00 0.00 36.73 38.19 1u8f h TYR 320 CO -0.03 0.56 0.35 0.77 -1.64 0.00 0.00 178.16 178.17 1u8f h SER 321 N 1.01 0.96 0.32 -2.11 0.02 -1.37 -0.99 113.55 111.39 1u8f h SER 321 Ca 0.32 -0.11 -0.11 0.00 -0.84 0.00 0.00 61.79 61.05 1u8f h SER 321 Cb -0.01 -0.25 -0.01 0.00 0.14 0.00 0.00 62.40 62.27 1u8f h SER 321 CO -0.10 0.81 -0.46 0.78 -1.14 0.00 0.00 176.83 176.71 1u8f h ASN 322 N 1.05 0.19 0.05 3.07 2.35 -0.79 -2.85 115.58 118.66 1u8f h ASN 322 Ca 0.26 -0.09 -0.13 0.00 -0.55 0.00 0.00 56.30 55.79 1u8f h ASN 322 Cb 0.11 -0.05 -0.01 0.00 0.05 0.00 0.00 38.32 38.41 1u8f h ASN 322 CO -0.03 0.63 -0.41 0.03 -1.65 0.00 0.00 177.43 176.00 1u8f h ARG 323 N 0.15 0.46 -0.71 0.81 2.47 -0.38 -0.49 114.38 116.69 1u8f h ARG 323 Ca 0.01 -0.23 -0.01 0.00 -1.26 0.00 0.00 59.98 58.49 1u8f h ARG 323 Cb 0.88 0.00 -0.03 0.00 -1.65 0.00 0.00 29.97 29.17 1u8f h ARG 323 CO 0.07 0.79 0.41 0.28 0.56 0.00 0.00 179.97 182.08 1u8f h VAL 324 N 0.38 1.21 -0.38 2.04 2.07 -0.99 0.22 116.25 120.79 1u8f h VAL 324 Ca 0.03 -0.50 -0.07 0.00 0.82 0.00 0.00 66.70 66.98 1u8f h VAL 324 Cb 0.88 0.25 -0.01 0.00 -1.52 0.00 0.00 31.29 30.89 1u8f h VAL 324 CO 0.07 0.23 -0.05 0.58 0.02 0.00 0.00 177.57 178.42 1u8f h VAL 325 N 0.97 1.27 -0.92 2.57 2.07 -1.31 -2.00 116.25 118.90 1u8f h VAL 325 Ca 0.25 -1.10 -0.01 0.00 0.82 0.00 0.00 66.70 66.66 1u8f h VAL 325 Cb 0.00 1.21 -0.04 0.00 -1.52 0.00 0.00 31.29 30.94 1u8f h VAL 325 CO -0.04 0.37 0.55 0.44 0.02 0.00 0.00 177.57 178.90 1u8f h ASP 326 N 0.53 1.11 -0.30 0.57 3.32 -0.56 -0.65 116.42 120.43 1u8f h ASP 326 Ca 0.10 -0.07 -0.03 0.00 0.02 0.00 0.00 57.03 57.06 1u8f h ASP 326 Cb 0.55 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 39.81 1u8f h ASP 326 CO 0.03 0.85 0.08 0.25 -1.72 0.00 0.00 179.24 178.73 1u8f h LEU 327 N 1.27 0.46 -1.07 1.55 5.85 -0.40 -1.11 115.31 121.86 1u8f h LEU 327 Ca 0.33 -0.22 -0.05 0.00 0.84 0.00 0.00 57.88 58.78 1u8f h LEU 327 Cb -0.05 -0.12 -0.02 0.00 0.37 0.00 0.00 40.66 40.84 1u8f h LEU 327 CO -0.06 0.56 0.13 0.24 -0.34 0.00 0.00 178.44 178.97 1u8f h MET 328 N 0.33 0.79 -0.61 1.25 2.86 -1.04 0.23 114.93 118.74 1u8f h MET 328 Ca 0.10 -0.16 -0.05 0.00 -2.06 0.00 0.00 59.70 57.53 1u8f h MET 328 Cb 0.28 -0.12 -0.03 0.00 0.06 0.00 0.00 31.60 31.79 1u8f h MET 328 CO -0.00 0.71 0.17 0.00 1.06 0.00 0.00 176.91 178.86 1u8f h ALA 329 N 1.38 1.16 -0.27 6.32 0.00 -0.79 0.22 119.26 127.28 1u8f h ALA 329 Ca 0.17 -0.21 -0.08 0.00 0.00 0.00 0.00 54.91 54.80 1u8f h ALA 329 Cb 0.28 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 1u8f h ALA 329 CO -0.00 0.58 -0.14 1.25 0.00 0.00 0.00 179.25 180.94 1u8f h HIS 330 N 0.90 0.66 -0.70 0.00 6.17 -0.44 -2.58 115.15 119.17 1u8f h HIS 330 Ca 0.20 -0.17 0.03 0.00 0.71 0.00 0.00 60.37 61.14 1u8f h HIS 330 Cb 0.28 -0.15 -0.04 0.00 2.52 0.00 0.00 27.41 30.02 1u8f h HIS 330 CO 0.02 0.83 0.43 0.52 0.71 0.00 0.00 177.93 180.44 1u8f h MET 331 N 0.30 0.82 -0.40 5.26 2.86 -0.60 -2.13 114.93 121.04 1u8f h MET 331 Ca 0.06 -0.05 -0.01 0.00 -2.06 0.00 0.00 59.70 57.64 1u8f h MET 331 Cb 0.66 -0.18 -0.02 0.00 0.06 0.00 0.00 31.60 32.11 1u8f h MET 331 CO 0.04 0.54 0.20 0.00 1.06 0.00 0.00 176.91 178.76 1u8f h ALA 332 N 1.30 1.60 0.00 6.32 0.00 -0.85 -2.09 119.26 125.54 1u8f h ALA 332 Ca 0.28 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.11 1u8f h ALA 332 Cb 0.03 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.66 1u8f h ALA 332 CO -0.11 0.33 0.00 0.66 0.00 0.00 0.00 179.25 180.13 1u8f h SER 333 N 0.56 0.00 0.02 0.00 4.64 -0.97 -2.79 113.55 115.00 1u8f h SER 333 Ca 0.14 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.46 1u8f h SER 333 Cb 0.05 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.14 1u8f h SER 333 CO -0.02 0.00 -0.69 0.29 -0.87 0.00 0.00 176.83 175.54 1u8f n LYS 334 N -2.77 0.65 0.00 4.77 5.02 -0.79 -5.13 118.16 119.92 1u8f n LYS 334 Ca -0.00 -0.53 0.02 0.00 -2.02 0.00 0.00 58.31 55.77 1u8f n LYS 334 Cb 0.19 -1.49 0.11 0.00 -0.02 0.00 0.00 35.03 33.82 1u8f n LYS 334 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27