#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gfa h SER 3 N 0.00 1.09 -0.07 0.00 0.87 -2.04 0.18 113.55 113.57 3gfa h SER 3 Ca 0.00 -0.03 -0.00 0.00 -1.23 0.00 0.00 61.79 60.53 3gfa h SER 3 Cb 0.00 -0.27 -0.00 0.00 -0.44 0.00 0.00 62.40 61.69 3gfa h SER 3 CO 0.00 0.78 0.04 0.44 -0.53 0.00 0.00 176.83 177.56 3gfa h ASP 4 N 1.28 0.09 -0.83 6.23 3.32 -2.04 -1.69 116.42 122.79 3gfa h ASP 4 Ca 0.35 -0.10 -0.02 0.00 0.02 0.00 0.00 57.03 57.28 3gfa h ASP 4 Cb -0.13 -0.02 -0.04 0.00 0.22 0.00 0.00 39.33 39.36 3gfa h ASP 4 CO -0.08 0.16 0.43 0.77 -1.72 0.00 0.00 179.24 178.81 3gfa h SER 5 N 0.02 1.06 -0.67 6.45 4.64 -1.82 -0.96 113.55 122.27 3gfa h SER 5 Ca 0.03 -0.11 0.00 0.00 -0.47 0.00 0.00 61.79 61.24 3gfa h SER 5 Cb 0.09 -0.27 -0.03 0.00 -0.31 0.00 0.00 62.40 61.88 3gfa h SER 5 CO -0.00 0.87 0.43 0.40 -0.87 0.00 0.00 176.83 177.66 3gfa h ILE 6 N 1.18 1.18 0.02 0.95 2.04 -0.43 -1.42 117.51 121.03 3gfa h ILE 6 Ca 0.29 -0.35 -0.20 0.00 1.00 0.00 0.00 64.86 65.59 3gfa h ILE 6 Cb 0.07 0.21 -0.02 0.00 -0.74 0.00 0.00 36.82 36.34 3gfa h ILE 6 CO -0.04 0.18 -0.94 0.77 0.00 0.00 0.00 178.15 178.11 3gfa h SER 7 N 0.91 0.11 0.83 1.72 4.64 -1.07 -3.33 113.55 117.36 3gfa h SER 7 Ca 0.24 -0.10 -0.17 0.00 -0.47 0.00 0.00 61.79 61.29 3gfa h SER 7 Cb -0.08 -0.04 -0.02 0.00 -0.31 0.00 0.00 62.40 61.95 3gfa h SER 7 CO -0.05 0.99 -0.83 0.50 -0.87 0.00 0.00 176.83 176.57 3gfa h LYS 8 N 0.03 0.00 -6.71 4.77 3.11 -1.04 -3.47 116.57 113.27 3gfa h LYS 8 Ca -0.03 0.00 -0.55 0.00 -2.81 0.00 0.00 60.65 57.26 3gfa h LYS 8 Cb 1.63 0.00 0.08 0.00 -1.00 0.00 0.00 32.23 32.95 3gfa h LYS 8 CO 0.13 0.83 0.79 -2.13 -2.81 0.00 0.00 179.45 176.26 3gfa n ARG 9 N -3.56 2.46 -4.17 1.90 0.63 -0.55 -5.01 116.66 108.36 3gfa n ARG 9 Ca -0.01 0.88 -0.14 0.00 -0.92 0.00 0.00 57.85 57.66 3gfa n ARG 9 Cb 0.79 -2.61 -0.11 0.00 0.45 0.00 0.00 32.46 30.98 3gfa n ARG 9 CO 0.00 0.00 0.00 1.03 -2.51 0.00 0.00 177.63 176.15 3gfa s ARG 10 N -0.42 0.83 -0.11 -0.14 1.81 -1.26 -5.01 118.95 114.65 3gfa s ARG 10 Ca 0.66 -1.17 -0.29 0.00 -1.72 0.00 0.00 55.73 53.20 3gfa s ARG 10 Cb -0.55 -0.48 -0.04 0.00 -0.45 0.00 0.00 34.95 33.43 3gfa s ARG 10 CO 0.48 0.07 1.51 -1.12 -0.68 0.00 0.00 175.30 175.56 3gfa s SER 11 N -2.50 6.74 -0.18 0.23 0.01 -1.26 -4.50 113.70 112.23 3gfa s SER 11 Ca 0.06 1.97 -0.05 0.00 1.31 0.00 0.00 55.95 59.24 3gfa s SER 11 Cb -0.02 -2.53 -0.03 0.00 0.21 0.00 0.00 66.02 63.65 3gfa s SER 11 CO -0.01 -0.90 -0.01 -0.63 0.41 0.00 0.00 173.24 172.10 3gfa s ILE 12 N 3.97 4.07 0.00 1.44 -1.09 -0.26 -4.94 121.20 124.39 3gfa s ILE 12 Ca 0.66 -0.28 0.00 0.00 -2.23 0.00 0.00 60.65 58.80 3gfa s ILE 12 Cb -0.28 -2.82 0.00 0.00 -1.58 0.00 0.00 42.46 37.78 3gfa s ILE 12 CO 0.24 0.46 0.65 0.54 -1.23 0.00 0.00 174.94 175.60 3gfa n ARG 13 N 3.78 0.93 -4.16 2.79 1.74 -1.26 -4.07 116.66 116.41 3gfa n ARG 13 Ca -0.17 -0.85 -0.22 0.00 -0.77 0.00 0.00 57.85 55.84 3gfa n ARG 13 Cb 0.52 -0.86 -0.17 0.00 -1.02 0.00 0.00 32.46 30.94 3gfa n ARG 13 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 3gfa s LYS 14 N -0.41 1.01 0.17 5.56 1.02 -1.26 -4.87 119.74 120.96 3gfa s LYS 14 Ca 0.00 -0.14 0.09 0.00 0.02 0.00 0.00 55.97 55.93 3gfa s LYS 14 Cb 0.00 -1.01 -0.04 0.00 -0.52 0.00 0.00 37.83 36.26 3gfa s LYS 14 CO 0.00 -0.10 -0.19 0.71 -0.92 0.00 0.00 175.35 174.85 3gfa s TYR 15 N 1.07 1.88 0.37 3.18 2.02 -1.26 -0.56 117.35 124.04 3gfa s TYR 15 Ca -0.08 -0.46 -0.27 0.00 -0.37 0.00 0.00 57.07 55.89 3gfa s TYR 15 Cb -0.14 -0.93 -0.09 0.00 -0.40 0.00 0.00 41.96 40.40 3gfa s TYR 15 CO -0.01 0.36 1.23 0.15 -1.57 0.00 0.00 175.55 175.71 3gfa s LYS 16 N -2.82 4.17 -0.64 -0.62 -0.14 0.71 -4.66 119.74 115.74 3gfa s LYS 16 Ca 0.17 2.02 -0.06 0.00 -1.36 0.00 0.00 55.97 56.73 3gfa s LYS 16 Cb -0.06 -2.85 -0.10 0.00 -1.68 0.00 0.00 37.83 33.14 3gfa s LYS 16 CO 0.07 -0.28 3.11 0.09 -0.76 0.00 0.00 175.35 177.58 3gfa n ASN 17 N 0.39 6.68 -4.41 2.83 3.02 -1.26 -4.56 115.26 117.95 3gfa n ASN 17 Ca 0.02 -2.77 -0.32 0.00 -0.03 0.00 0.00 54.58 51.48 3gfa n ASN 17 Cb 0.44 -1.40 -0.14 0.00 -0.61 0.00 0.00 39.78 38.08 3gfa n ASN 17 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 3gfa s GLN 18 N 0.28 2.42 0.57 3.52 -0.21 -1.26 -5.12 119.66 119.86 3gfa s GLN 18 Ca 0.64 -0.78 -0.20 0.00 0.02 0.00 0.00 55.36 55.04 3gfa s GLN 18 Cb 0.29 -2.27 -0.04 0.00 1.00 0.00 0.00 33.01 31.99 3gfa s GLN 18 CO -0.08 0.57 1.27 -1.54 -2.12 0.00 0.00 175.29 173.39 3gfa s SER 19 N -0.62 5.21 -0.15 5.90 1.04 -1.26 -4.73 113.70 119.10 3gfa s SER 19 Ca 0.09 2.55 -0.04 0.00 0.48 0.00 0.00 55.95 59.02 3gfa s SER 19 Cb -0.11 -2.62 -0.03 0.00 0.10 0.00 0.00 66.02 63.36 3gfa s SER 19 CO 0.00 -1.59 0.00 -0.63 0.98 0.00 0.00 173.24 172.01 3gfa s ILE 20 N -1.45 4.28 0.60 -1.02 -1.09 -1.26 -5.01 121.20 116.25 3gfa s ILE 20 Ca 0.75 -0.23 -0.17 0.00 -2.23 0.00 0.00 60.65 58.78 3gfa s ILE 20 Cb -0.35 -2.88 -0.03 0.00 -1.58 0.00 0.00 42.46 37.62 3gfa s ILE 20 CO 0.39 0.51 1.09 -0.94 -1.23 0.00 0.00 174.94 174.76 3gfa s SER 21 N 0.04 5.60 0.39 3.58 1.04 -1.26 -4.92 113.70 118.18 3gfa s SER 21 Ca 0.02 1.95 0.08 0.00 0.48 0.00 0.00 55.95 58.49 3gfa s SER 21 Cb -0.13 -2.55 0.83 0.00 0.10 0.00 0.00 66.02 64.27 3gfa s SER 21 CO 0.02 -1.29 2.00 0.45 0.98 0.00 0.00 173.24 175.40 3gfa h HIS 22 N 0.55 0.62 -0.58 5.02 3.86 -1.99 -2.41 115.15 120.22 3gfa h HIS 22 Ca -0.48 0.02 0.03 0.00 -1.16 0.00 0.00 60.37 58.78 3gfa h HIS 22 Cb 1.24 -0.21 -0.04 0.00 1.06 0.00 0.00 27.41 29.46 3gfa h HIS 22 CO 0.56 0.35 0.34 0.93 0.86 0.00 0.00 177.93 180.96 3gfa h GLU 23 N 0.63 0.65 -0.47 2.45 3.07 -1.99 0.61 114.58 119.52 3gfa h GLU 23 Ca 0.25 -0.04 -0.06 0.00 -0.50 0.00 0.00 59.36 59.01 3gfa h GLU 23 Cb 0.19 -0.15 -0.02 0.00 -0.84 0.00 0.00 28.75 27.94 3gfa h GLU 23 CO -0.07 0.43 0.08 1.15 -1.40 0.00 0.00 179.01 179.19 3gfa h THR 24 N 0.67 1.25 -0.64 1.13 2.02 -1.82 -1.61 112.91 113.91 3gfa h THR 24 Ca 0.24 -0.91 -0.02 0.00 0.77 0.00 0.00 66.41 66.49 3gfa h THR 24 Cb 0.06 0.93 -0.03 0.00 -1.74 0.00 0.00 68.15 67.37 3gfa h THR 24 CO -0.12 0.32 0.32 0.40 0.37 0.00 0.00 175.52 176.81 3gfa h ILE 25 N 0.65 1.22 -0.89 3.11 2.04 -0.98 -2.07 117.51 120.59 3gfa h ILE 25 Ca 0.14 -0.59 -0.01 0.00 1.00 0.00 0.00 64.86 65.40 3gfa h ILE 25 Cb 0.39 0.43 -0.04 0.00 -0.74 0.00 0.00 36.82 36.85 3gfa h ILE 25 CO 0.01 0.25 0.52 -0.33 0.00 0.00 0.00 178.15 178.60 3gfa h GLU 26 N 0.88 1.22 -0.88 2.37 5.08 -0.67 -0.58 114.58 122.00 3gfa h GLU 26 Ca 0.22 -0.12 -0.01 0.00 -1.00 0.00 0.00 59.36 58.45 3gfa h GLU 26 Cb 0.10 -0.25 -0.04 0.00 0.50 0.00 0.00 28.75 29.06 3gfa h GLU 26 CO -0.03 0.86 0.51 0.87 -1.00 0.00 0.00 179.01 180.23 3gfa h LYS 27 N 1.23 1.21 -0.19 2.33 1.57 -0.90 0.55 116.57 122.37 3gfa h LYS 27 Ca 0.32 -0.12 -0.06 0.00 -1.87 0.00 0.00 60.65 58.92 3gfa h LYS 27 Cb -0.03 -0.25 -0.00 0.00 0.08 0.00 0.00 32.23 32.03 3gfa h LYS 27 CO -0.06 0.86 -0.10 0.82 -0.57 0.00 0.00 179.45 180.41 3gfa h ILE 28 N 1.22 1.31 -0.74 1.86 2.04 -0.83 -2.62 117.51 119.75 3gfa h ILE 28 Ca 0.31 -1.17 -0.06 0.00 1.00 0.00 0.00 64.86 64.94 3gfa h ILE 28 Cb -0.02 1.68 -0.03 0.00 -0.74 0.00 0.00 36.82 37.71 3gfa h ILE 28 CO -0.06 0.35 0.23 0.40 0.00 0.00 0.00 178.15 179.08 3gfa h ILE 29 N 0.08 1.26 -0.76 -0.67 2.04 -0.87 -2.31 117.51 116.29 3gfa h ILE 29 Ca 0.04 -0.91 0.17 0.00 1.00 0.00 0.00 64.86 65.16 3gfa h ILE 29 Cb 0.59 0.45 -0.12 0.00 -0.74 0.00 0.00 36.82 37.01 3gfa h ILE 29 CO 0.03 0.36 0.16 -0.33 0.00 0.00 0.00 178.15 178.37 3gfa h GLU 30 N 1.10 0.23 -0.62 2.37 5.08 -0.81 -0.12 114.58 121.80 3gfa h GLU 30 Ca 0.24 -0.01 -0.08 0.00 -1.00 0.00 0.00 59.36 58.51 3gfa h GLU 30 Cb 0.31 -0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.48 3gfa h GLU 30 CO -0.01 0.15 0.09 0.00 -1.00 0.00 0.00 179.01 178.24 3gfa h ALA 31 N 1.65 0.97 -0.54 3.43 0.00 -1.04 -2.23 119.26 121.50 3gfa h ALA 31 Ca 0.44 -0.27 0.02 0.00 0.00 0.00 0.00 54.91 55.09 3gfa h ALA 31 Cb 0.77 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 18.29 3gfa h ALA 31 CO -0.55 0.64 0.34 0.78 0.00 0.00 0.00 179.25 180.46 3gfa h GLY 32 N 1.03 0.76 1.23 0.00 0.00 -0.72 -2.40 103.07 102.98 3gfa h GLY 32 Ca 0.19 -0.26 0.10 0.00 0.00 0.00 0.00 47.33 47.36 3gfa h GLY 32 CO 0.01 0.24 0.30 -2.22 0.00 0.00 0.00 176.54 174.87 3gfa h ILE 33 N 0.68 0.85 -0.00 2.60 2.04 -0.51 -1.04 117.51 122.13 3gfa h ILE 33 Ca 0.21 -0.04 0.00 0.00 1.00 0.00 0.00 64.86 66.03 3gfa h ILE 33 Cb -0.02 0.71 0.00 0.00 -0.74 0.00 0.00 36.82 36.77 3gfa h ILE 33 CO -0.07 0.02 -0.01 0.59 0.00 0.00 0.00 178.15 178.69 3gfa n ASN 34 N -4.44 0.10 -4.70 1.72 3.02 -0.91 -4.87 115.26 105.18 3gfa n ASN 34 Ca 0.07 -0.84 -0.34 0.00 -0.03 0.00 0.00 54.58 53.43 3gfa n ASN 34 Cb 0.41 -0.06 0.11 0.00 -0.61 0.00 0.00 39.78 39.63 3gfa n ASN 34 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3gfa s ALA 35 N -2.13 1.95 0.76 5.41 0.00 -0.39 -5.01 121.76 122.34 3gfa s ALA 35 Ca 0.43 0.95 -0.11 0.00 0.00 0.00 0.00 51.96 53.23 3gfa s ALA 35 Cb 0.22 -3.51 0.04 0.00 0.00 0.00 0.00 23.12 19.87 3gfa s ALA 35 CO 0.39 -2.15 1.08 -1.25 0.00 0.00 0.00 175.76 173.83 3gfa s PRO 36 N -3.95 2.42 -0.03 0.00 0.04 -1.26 -4.98 135.00 127.24 3gfa s PRO 36 Ca 0.76 0.98 -0.22 0.00 0.04 0.00 0.00 61.00 62.55 3gfa s PRO 36 Cb -0.31 -1.93 0.05 0.00 0.04 0.00 0.00 34.50 32.34 3gfa s PRO 36 CO 0.48 -1.47 0.48 -1.54 0.04 0.00 0.00 177.00 174.99 3gfa s SER 37 N -3.63 -0.41 0.09 6.66 1.04 -1.26 -4.78 113.70 111.42 3gfa s SER 37 Ca 0.60 0.40 -0.34 0.00 0.48 0.00 0.00 55.95 57.09 3gfa s SER 37 Cb -0.16 0.43 -0.13 0.00 0.10 0.00 0.00 66.02 66.27 3gfa s SER 37 CO 0.55 -0.51 1.67 -0.24 0.98 0.00 0.00 173.24 175.69 3gfa n SER 38 N 1.15 3.23 -1.73 7.02 2.88 -1.26 -1.00 113.62 123.91 3gfa n SER 38 Ca -0.20 1.05 -0.16 0.00 -1.33 0.00 0.00 58.87 58.22 3gfa n SER 38 Cb 0.56 -1.42 -0.05 0.00 -0.75 0.00 0.00 64.21 62.55 3gfa n SER 38 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 3gfa n LYS 39 N 4.36 -1.52 -3.39 -1.46 4.76 -1.26 -1.66 118.16 117.99 3gfa n LYS 39 Ca 0.18 0.92 -0.24 0.00 -2.87 0.00 0.00 58.31 56.31 3gfa n LYS 39 Cb 0.29 -5.31 -0.00 0.00 -1.84 0.00 0.00 35.03 28.17 3gfa n LYS 39 CO 0.00 0.00 0.00 -1.71 -1.37 0.00 0.00 177.40 174.32 3gfa n ASN 40 N -1.14 -3.80 0.12 4.39 5.15 -0.17 -4.86 115.26 114.95 3gfa n ASN 40 Ca -0.17 -0.41 0.13 0.00 -0.60 0.00 0.00 54.58 53.52 3gfa n ASN 40 Cb 0.57 -3.14 0.41 0.00 -0.53 0.00 0.00 39.78 37.10 3gfa n ASN 40 CO 0.00 0.00 0.00 0.03 1.40 0.00 0.00 177.26 178.69 3gfa h ARG 41 N -1.02 0.00 -6.47 1.20 3.08 -1.51 -3.48 114.38 106.19 3gfa h ARG 41 Ca -0.44 0.00 -0.49 0.00 0.07 0.00 0.00 59.98 59.12 3gfa h ARG 41 Cb 1.30 0.00 0.05 0.00 0.08 0.00 0.00 29.97 31.40 3gfa h ARG 41 CO 0.54 0.00 -0.96 1.04 -1.07 0.00 0.00 179.97 179.52 3gfa n GLN 42 N -2.31 -0.88 0.00 0.04 6.02 -1.26 -4.83 117.38 114.16 3gfa n GLN 42 Ca 0.05 0.34 0.14 0.00 -0.01 0.00 0.00 57.00 57.52 3gfa n GLN 42 Cb 0.40 -3.55 0.67 0.00 1.02 0.00 0.00 30.24 28.77 3gfa n GLN 42 CO 0.00 0.00 0.00 -0.35 -1.01 0.00 0.00 177.06 175.70 3gfa n PRO 43 N -4.43 0.24 -2.12 -1.09 -0.04 -1.26 -4.84 135.00 121.46 3gfa n PRO 43 Ca -0.10 0.02 -0.41 0.00 -0.04 0.00 0.00 63.50 62.97 3gfa n PRO 43 Cb 0.58 -1.50 -0.02 0.00 -0.04 0.00 0.00 33.50 32.52 3gfa n PRO 43 CO 0.00 0.00 0.00 1.67 -0.04 0.00 0.00 175.50 177.13 3gfa s TRP 44 N -2.74 3.08 0.04 0.54 -2.14 -1.26 -0.82 118.94 115.63 3gfa s TRP 44 Ca 0.22 1.35 0.02 0.00 2.66 0.00 0.00 56.10 60.34 3gfa s TRP 44 Cb 0.19 -3.68 -0.02 0.00 -3.10 0.00 0.00 33.47 26.85 3gfa s TRP 44 CO 0.46 -1.95 -0.08 1.03 -2.66 0.00 0.00 176.95 173.76 3gfa s ARG 45 N -1.42 0.54 -0.03 3.25 1.81 -0.33 -4.88 118.95 117.90 3gfa s ARG 45 Ca 0.51 -0.79 0.05 0.00 -1.72 0.00 0.00 55.73 53.78 3gfa s ARG 45 Cb -0.40 -0.27 -0.01 0.00 -0.45 0.00 0.00 34.95 33.82 3gfa s ARG 45 CO 0.50 0.04 -0.19 -0.06 -0.68 0.00 0.00 175.30 174.91 3gfa s PHE 46 N -1.52 1.74 -0.21 -0.53 0.08 -1.26 -0.14 117.98 116.13 3gfa s PHE 46 Ca -0.09 -0.40 0.01 0.00 0.12 0.00 0.00 56.93 56.57 3gfa s PHE 46 Cb -0.09 -1.14 0.05 0.00 -0.57 0.00 0.00 43.02 41.27 3gfa s PHE 46 CO 0.00 -0.09 -0.08 0.08 -0.10 0.00 0.00 175.22 175.03 3gfa s VAL 47 N -0.25 1.59 -0.26 -0.44 1.01 -0.19 -4.97 120.40 116.90 3gfa s VAL 47 Ca 0.03 -1.09 -0.24 0.00 0.00 0.00 0.00 61.98 60.68 3gfa s VAL 47 Cb -0.09 -1.74 -0.01 0.00 0.00 0.00 0.00 36.38 34.54 3gfa s VAL 47 CO 0.01 0.07 0.80 -0.69 0.00 0.00 0.00 175.10 175.28 3gfa s VAL 48 N 1.40 4.84 -0.37 2.92 1.01 -1.26 -0.38 120.40 128.55 3gfa s VAL 48 Ca -0.03 1.44 -0.13 0.00 0.00 0.00 0.00 61.98 63.25 3gfa s VAL 48 Cb -0.17 -4.10 0.01 0.00 0.00 0.00 0.00 36.38 32.11 3gfa s VAL 48 CO -0.07 -0.10 0.25 -0.63 0.00 0.00 0.00 175.10 174.55 3gfa s ILE 49 N 2.83 5.09 0.41 2.22 -1.09 0.26 -5.01 121.20 125.92 3gfa s ILE 49 Ca 0.33 -0.53 0.06 0.00 -2.23 0.00 0.00 60.65 58.28 3gfa s ILE 49 Cb -0.15 -3.75 0.06 0.00 -1.58 0.00 0.00 42.46 37.04 3gfa s ILE 49 CO 0.09 -0.17 0.49 0.35 -1.23 0.00 0.00 174.94 174.47 3gfa n THR 50 N 5.10 0.00 -0.27 2.92 -2.24 -1.26 -2.70 114.28 115.83 3gfa n THR 50 Ca -0.12 -1.44 0.20 0.00 -2.27 0.00 0.00 64.05 60.42 3gfa n THR 50 Cb 0.48 -0.50 0.51 0.00 -2.10 0.00 0.00 70.33 68.71 3gfa n THR 50 CO 0.00 0.00 0.00 1.05 -0.57 0.00 0.00 175.07 175.55 3gfa h GLU 51 N 0.00 0.40 -0.97 -0.78 9.09 -1.98 -1.25 114.58 119.09 3gfa h GLU 51 Ca -0.21 -0.02 0.22 0.00 0.05 0.00 0.00 59.36 59.40 3gfa h GLU 51 Cb 0.90 -0.09 -0.18 0.00 -1.65 0.00 0.00 28.75 27.73 3gfa h GLU 51 CO 0.31 0.27 -0.13 0.87 0.05 0.00 0.00 179.01 180.38 3gfa h LYS 52 N 0.41 0.01 0.00 1.06 1.57 -1.99 -3.18 116.57 114.45 3gfa h LYS 52 Ca 0.50 -0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.28 3gfa h LYS 52 Cb 1.26 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.56 3gfa h LYS 52 CO -0.21 0.00 0.00 0.39 -0.57 0.00 0.00 179.45 179.07 3gfa n GLU 53 N -5.55 0.28 -0.16 3.15 -0.58 -0.54 -4.78 120.64 112.45 3gfa n GLU 53 Ca 0.18 -0.67 -0.02 0.00 -0.42 0.00 0.00 57.16 56.23 3gfa n GLU 53 Cb 0.59 -0.87 0.07 0.00 -0.57 0.00 0.00 31.44 30.66 3gfa n GLU 53 CO 0.00 0.00 0.00 -0.22 -0.48 0.00 0.00 177.13 176.43 3gfa h LYS 54 N 0.00 0.28 -0.65 3.49 3.64 -1.35 -2.73 116.57 119.25 3gfa h LYS 54 Ca 0.00 -0.02 -0.07 0.00 -1.27 0.00 0.00 60.65 59.29 3gfa h LYS 54 Cb 0.30 -0.06 -0.03 0.00 -0.41 0.00 0.00 32.23 32.03 3gfa h LYS 54 CO 0.00 0.18 0.14 1.49 -2.27 0.00 0.00 179.45 178.99 3gfa h GLU 55 N 0.29 1.05 -0.86 1.90 4.57 -1.86 -0.68 114.58 118.98 3gfa h GLU 55 Ca 0.25 -0.26 0.00 0.00 -1.18 0.00 0.00 59.36 58.17 3gfa h GLU 55 Cb 0.32 -0.13 0.00 0.00 -0.16 0.00 0.00 28.75 28.78 3gfa h GLU 55 CO -0.30 0.95 0.00 0.45 -1.18 0.00 0.00 179.01 178.93 3gfa n SER 56 N -4.28 0.22 0.00 1.04 2.88 -1.03 -1.26 113.62 111.19 3gfa n SER 56 Ca 0.04 -0.24 0.00 0.00 -1.33 0.00 0.00 58.87 57.34 3gfa n SER 56 Cb 0.26 -0.06 0.00 0.00 -0.75 0.00 0.00 64.21 63.66 3gfa n SER 56 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 3gfa n LEU 58 N 0.65 0.00 -0.23 2.46 4.77 -0.26 -1.99 117.00 122.40 3gfa n LEU 58 Ca 0.00 0.00 -0.07 0.00 -0.03 0.00 0.00 56.01 55.91 3gfa n LEU 58 Cb 0.04 0.00 0.04 0.00 -2.33 0.00 0.00 43.42 41.17 3gfa n LEU 58 CO 0.00 0.00 0.96 0.11 -1.33 0.00 0.00 177.39 177.13 3gfa h LYS 59 N 0.00 1.00 -0.99 3.23 1.57 -1.44 0.01 116.57 119.95 3gfa h LYS 59 Ca 0.00 -0.21 0.00 0.00 -1.87 0.00 0.00 60.65 58.57 3gfa h LYS 59 Cb 0.00 -0.15 0.00 0.00 0.08 0.00 0.00 32.23 32.16 3gfa h LYS 59 CO 0.00 0.88 0.00 0.00 -0.57 0.00 0.00 179.45 179.76 3gfa n ALA 60 N -2.41 1.55 0.00 3.86 0.00 -0.84 -1.18 120.51 121.49 3gfa n ALA 60 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.48 3gfa n ALA 60 Cb 0.21 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.66 3gfa n ALA 60 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 3gfa n SER 62 N 0.63 0.00 -0.24 0.00 7.64 -0.01 -1.88 113.62 119.75 3gfa n SER 62 Ca 0.00 0.00 -0.06 0.00 1.01 0.00 0.00 58.87 59.82 3gfa n SER 62 Cb 0.09 0.00 0.05 0.00 -1.01 0.00 0.00 64.21 63.34 3gfa n SER 62 CO 0.00 0.00 0.00 0.50 -3.01 0.00 0.00 175.04 172.53 3gfa h LYS 63 N 0.00 0.91 -0.51 1.43 3.64 -1.40 -0.27 116.57 120.37 3gfa h LYS 63 Ca 0.00 -0.08 -0.03 0.00 -1.27 0.00 0.00 60.65 59.27 3gfa h LYS 63 Cb 0.00 -0.19 -0.02 0.00 -0.41 0.00 0.00 32.23 31.60 3gfa h LYS 63 CO 0.00 0.64 0.20 0.78 -2.27 0.00 0.00 179.45 178.80 3gfa h GLY 64 N 0.92 0.82 1.05 5.01 0.00 -1.62 -0.58 103.07 108.67 3gfa h GLY 64 Ca 0.24 -0.45 -0.05 0.00 0.00 0.00 0.00 47.33 47.07 3gfa h GLY 64 CO -0.05 0.43 0.27 -2.22 0.00 0.00 0.00 176.54 174.97 3gfa h ILE 65 N 0.69 1.26 -0.79 2.60 2.04 -1.42 -0.78 117.51 121.11 3gfa h ILE 65 Ca 0.17 -0.85 -0.05 0.00 1.00 0.00 0.00 64.86 65.13 3gfa h ILE 65 Cb 0.20 0.39 -0.03 0.00 -0.74 0.00 0.00 36.82 36.64 3gfa h ILE 65 CO -0.01 0.34 0.31 -0.61 0.00 0.00 0.00 178.15 178.18 3gfa h GLN 66 N 1.11 1.18 -0.85 2.37 5.75 -0.82 0.26 115.11 124.12 3gfa h GLN 66 Ca 0.25 -0.21 -0.03 0.00 -0.15 0.00 0.00 58.65 58.51 3gfa h GLN 66 Cb 0.26 -0.19 -0.04 0.00 1.07 0.00 0.00 27.48 28.58 3gfa h GLN 66 CO -0.02 0.95 0.42 -0.97 -2.65 0.00 0.00 178.83 176.57 3gfa h ASN 67 N 1.15 1.09 -0.31 -0.69 -1.24 -0.49 0.14 115.58 115.22 3gfa h ASN 67 Ca 0.26 -0.12 -0.01 0.00 0.71 0.00 0.00 56.30 57.14 3gfa h ASN 67 Cb 0.22 -0.28 -0.01 0.00 0.73 0.00 0.00 38.32 38.98 3gfa h ASN 67 CO -0.02 0.90 0.15 -0.08 -1.29 0.00 0.00 177.43 177.09 3gfa h GLU 68 N 1.20 0.45 -0.95 6.67 4.57 -0.47 -0.63 114.58 125.42 3gfa h GLU 68 Ca 0.29 -0.07 0.06 0.00 -1.18 0.00 0.00 59.36 58.47 3gfa h GLU 68 Cb 0.09 -0.08 -0.06 0.00 -0.16 0.00 0.00 28.75 28.53 3gfa h GLU 68 CO -0.04 0.42 0.60 0.82 -1.18 0.00 0.00 179.01 179.63 3gfa h ILE 69 N 0.37 1.07 0.00 2.32 2.04 -0.27 -0.68 117.51 122.37 3gfa h ILE 69 Ca 0.11 -0.38 0.00 0.00 1.00 0.00 0.00 64.86 65.59 3gfa h ILE 69 Cb 0.12 -0.12 0.00 0.00 -0.74 0.00 0.00 36.82 36.07 3gfa h ILE 69 CO -0.01 0.20 0.00 0.59 0.00 0.00 0.00 178.15 178.93 3gfa n ASN 70 N -4.55 0.00 -1.36 1.72 3.02 -0.03 -4.88 115.26 109.19 3gfa n ASN 70 Ca 0.14 -0.78 -0.12 0.00 -0.03 0.00 0.00 54.58 53.80 3gfa n ASN 70 Cb 0.18 0.00 -0.00 0.00 -0.61 0.00 0.00 39.78 39.35 3gfa n ASN 70 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 3gfa n ASP 71 N -0.96 -3.76 -0.75 6.41 2.03 -0.26 -4.91 116.55 114.36 3gfa n ASP 71 Ca 0.16 -0.02 0.04 0.00 0.52 0.00 0.00 54.79 55.48 3gfa n ASP 71 Cb 0.07 -2.96 0.20 0.00 -0.72 0.00 0.00 41.12 37.72 3gfa n ASP 71 CO 0.00 0.00 0.00 0.59 -1.92 0.00 0.00 177.20 175.87 3gfa n ASN 72 N -0.24 2.65 -0.15 1.67 3.02 -0.27 -5.03 115.26 116.91 3gfa n ASN 72 Ca -0.13 -3.46 0.00 0.00 -0.03 0.00 0.00 54.58 50.95 3gfa n ASN 72 Cb 0.60 -0.55 0.00 0.00 -0.61 0.00 0.00 39.78 39.22 3gfa n ASN 72 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3gfa n GLY 73 N -1.04 3.97 0.04 7.41 0.00 -1.21 -4.73 105.19 109.62 3gfa n GLY 73 Ca 0.24 -2.05 0.03 0.00 0.00 0.00 0.00 46.02 44.24 3gfa n GLY 73 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3gfa n LEU 74 N 0.00 0.45 -2.98 0.99 4.77 -1.26 -4.80 117.00 114.17 3gfa n LEU 74 Ca 0.00 -0.57 -0.24 0.00 -0.03 0.00 0.00 56.01 55.17 3gfa n LEU 74 Cb 0.00 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.06 3gfa n LEU 74 CO 0.00 0.10 0.05 0.18 -1.33 0.00 0.00 177.39 176.40 3gfa n LEU 75 N -0.93 3.55 0.30 2.23 4.32 -1.26 -4.92 117.00 120.30 3gfa n LEU 75 Ca 0.01 -5.47 0.18 0.00 -0.02 0.00 0.00 56.01 50.72 3gfa n LEU 75 Cb 0.10 -0.22 0.97 0.00 -1.62 0.00 0.00 43.42 42.65 3gfa n LEU 75 CO 0.11 2.32 1.10 1.55 -1.22 0.00 0.00 177.39 181.25 3gfa h PRO 76 N 2.97 0.00 -0.01 3.23 0.13 -1.96 -1.08 132.00 135.28 3gfa h PRO 76 Ca 0.13 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.26 3gfa h PRO 76 Cb 0.65 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.78 3gfa h PRO 76 CO 0.74 0.03 0.00 0.41 -0.23 0.00 0.00 178.00 178.95 3gfa n GLY 77 N -0.94 -0.82 0.77 1.56 0.00 -1.26 -4.02 105.19 100.48 3gfa n GLY 77 Ca -0.02 -0.21 0.06 0.00 0.00 0.00 0.00 46.02 45.85 3gfa n GLY 77 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3gfa n SER 78 N -0.73 1.48 0.18 1.61 7.64 -0.41 -4.81 113.62 118.58 3gfa n SER 78 Ca 0.19 -3.14 0.12 0.00 1.01 0.00 0.00 58.87 57.05 3gfa n SER 78 Cb 0.13 -0.43 0.66 0.00 -1.01 0.00 0.00 64.21 63.56 3gfa n SER 78 CO 0.00 0.00 0.00 0.03 -3.01 0.00 0.00 175.04 172.06 3gfa h ARG 79 N 0.80 0.00 0.00 1.43 3.08 -1.70 -0.39 114.38 117.61 3gfa h ARG 79 Ca -0.06 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.99 3gfa h ARG 79 Cb 1.28 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.33 3gfa h ARG 79 CO 0.03 0.00 0.00 0.00 -1.07 0.00 0.00 179.97 178.93 3gfa n GLN 80 N -4.46 0.17 -0.02 0.04 0.00 -1.26 -2.13 117.38 109.72 3gfa n GLN 80 Ca 0.01 0.52 0.12 0.00 0.00 0.00 0.00 57.00 57.65 3gfa n GLN 80 Cb 0.26 -1.91 0.11 0.00 0.00 0.00 0.00 30.24 28.70 3gfa n GLN 80 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.06 177.78 3gfa n HIS 81 N -2.24 0.04 -0.25 2.61 8.25 -0.15 -4.40 115.22 119.08 3gfa n HIS 81 Ca 0.00 -0.02 -0.07 0.00 -0.26 0.00 0.00 57.72 57.37 3gfa n HIS 81 Cb 0.14 -0.00 0.04 0.00 1.12 0.00 0.00 29.99 31.29 3gfa n HIS 81 CO 0.00 0.00 0.00 0.82 0.64 0.00 0.00 176.34 177.80 3gfa h ILE 82 N 4.57 1.26 -0.62 1.59 2.04 -1.49 -1.92 117.51 122.92 3gfa h ILE 82 Ca 0.00 -0.91 0.06 0.00 1.00 0.00 0.00 64.86 65.01 3gfa h ILE 82 Cb 0.97 0.53 -0.05 0.00 -0.74 0.00 0.00 36.82 37.53 3gfa h ILE 82 CO 0.00 0.35 0.33 0.00 0.00 0.00 0.00 178.15 178.83 3gfa h ALA 83 N 1.09 0.83 -0.88 1.87 0.00 -1.79 -0.61 119.26 119.77 3gfa h ALA 83 Ca 0.22 0.03 0.02 0.00 0.00 0.00 0.00 54.91 55.17 3gfa h ALA 83 Cb 0.32 -0.09 -0.05 0.00 0.00 0.00 0.00 17.79 17.98 3gfa h ALA 83 CO -0.00 -0.02 0.58 0.78 0.00 0.00 0.00 179.25 180.59 3gfa h GLY 84 N 0.61 1.25 1.03 0.00 0.00 -1.74 -1.60 103.07 102.61 3gfa h GLY 84 Ca 0.28 -0.45 -0.01 0.00 0.00 0.00 0.00 47.33 47.15 3gfa h GLY 84 CO -0.19 0.43 0.52 0.00 0.00 0.00 0.00 176.54 177.29 3gfa h ALA 85 N 1.33 1.16 -0.45 3.60 0.00 -0.49 0.23 119.26 124.65 3gfa h ALA 85 Ca 0.33 -0.12 -0.06 0.00 0.00 0.00 0.00 54.91 55.06 3gfa h ALA 85 Cb -0.10 -0.36 -0.02 0.00 0.00 0.00 0.00 17.79 17.31 3gfa h ALA 85 CO -0.08 0.65 0.05 -0.91 0.00 0.00 0.00 179.25 178.96 3gfa h ASN 86 N 1.27 0.67 -0.54 0.00 2.35 -0.67 -1.27 115.58 117.38 3gfa h ASN 86 Ca 0.32 -0.13 -0.06 0.00 -0.55 0.00 0.00 56.30 55.87 3gfa h ASN 86 Cb -0.00 -0.18 -0.02 0.00 0.05 0.00 0.00 38.32 38.17 3gfa h ASN 86 CO -0.05 0.71 0.09 0.22 -1.65 0.00 0.00 177.43 176.75 3gfa h TYR 87 N 0.68 0.96 -0.68 1.19 3.20 -0.63 -2.76 116.97 118.93 3gfa h TYR 87 Ca 0.14 -0.13 -0.02 0.00 3.14 0.00 0.00 58.73 61.86 3gfa h TYR 87 Cb 0.35 -0.26 -0.03 0.00 1.54 0.00 0.00 36.73 38.32 3gfa h TYR 87 CO 0.02 0.85 0.34 1.15 -1.64 0.00 0.00 178.16 178.87 3gfa h THR 88 N 0.79 1.22 -0.78 1.81 2.02 -0.39 -1.26 112.91 116.32 3gfa h THR 88 Ca 0.17 -0.59 0.02 0.00 0.77 0.00 0.00 66.41 66.78 3gfa h THR 88 Cb 0.41 0.33 -0.04 0.00 -1.74 0.00 0.00 68.15 67.10 3gfa h THR 88 CO 0.01 0.25 0.50 0.58 0.37 0.00 0.00 175.52 177.23 3gfa h VAL 89 N 0.96 1.14 -0.20 3.16 2.07 -1.05 -2.30 116.25 120.04 3gfa h VAL 89 Ca 0.24 -0.34 -0.11 0.00 0.82 0.00 0.00 66.70 67.30 3gfa h VAL 89 Cb 0.08 0.06 -0.01 0.00 -1.52 0.00 0.00 31.29 29.90 3gfa h VAL 89 CO -0.03 0.18 -0.36 -0.08 0.02 0.00 0.00 177.57 177.30 3gfa h GLU 90 N 0.99 0.43 -1.20 1.57 4.57 -1.07 -0.15 114.58 119.71 3gfa h GLU 90 Ca 0.30 -0.19 0.00 0.00 -1.18 0.00 0.00 59.36 58.29 3gfa h GLU 90 Cb -0.03 -0.01 0.00 0.00 -0.16 0.00 0.00 28.75 28.55 3gfa h GLU 90 CO -0.10 0.73 0.00 -0.89 -1.18 0.00 0.00 179.01 177.58 3gfa n ILE 91 N -4.05 0.08 0.00 2.32 5.41 -0.55 -1.70 119.36 120.87 3gfa n ILE 91 Ca -0.01 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.74 3gfa n ILE 91 Cb 0.47 -0.38 0.00 0.00 -0.71 0.00 0.00 39.64 39.02 3gfa n ILE 91 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 176.55 177.72 3gfa n LYS 93 N 0.74 0.00 0.05 0.38 4.81 -0.07 -0.74 118.16 123.33 3gfa n LYS 93 Ca 0.00 0.00 -0.09 0.00 -0.87 0.00 0.00 58.31 57.35 3gfa n LYS 93 Cb 0.05 0.00 -0.13 0.00 0.02 0.00 0.00 35.03 34.98 3gfa n LYS 93 CO 0.00 0.00 0.00 1.96 1.17 0.00 0.00 177.40 180.53 3gfa h GLN 94 N 0.00 0.04 -6.89 1.64 1.08 -1.60 -3.46 115.11 105.92 3gfa h GLN 94 Ca 0.00 -0.07 -0.53 0.00 -1.45 0.00 0.00 58.65 56.60 3gfa h GLN 94 Cb 0.00 0.03 0.08 0.00 -0.05 0.00 0.00 27.48 27.54 3gfa h GLN 94 CO 0.00 0.93 0.74 0.00 -0.95 0.00 0.00 178.83 179.55 3gfa s ALA 95 N -2.68 3.57 0.45 3.87 0.00 0.08 -4.90 121.76 122.15 3gfa s ALA 95 Ca -0.01 1.44 0.17 0.00 0.00 0.00 0.00 51.96 53.56 3gfa s ALA 95 Cb 0.09 -3.56 1.10 0.00 0.00 0.00 0.00 23.12 20.75 3gfa s ALA 95 CO 0.83 -0.88 2.02 -1.00 0.00 0.00 0.00 175.76 176.73 3gfa h PRO 96 N 3.53 0.00 -3.36 0.00 0.13 -1.84 -3.44 132.00 127.02 3gfa h PRO 96 Ca -0.49 0.00 -0.15 0.00 -0.87 0.00 0.00 66.00 64.49 3gfa h PRO 96 Cb 1.23 0.00 -0.22 0.00 0.13 0.00 0.00 31.00 32.14 3gfa h PRO 96 CO 0.67 0.16 -0.45 0.14 -0.23 0.00 0.00 178.00 178.30 3gfa s VAL 97 N -4.60 0.06 -0.04 1.56 -7.23 -1.13 -4.61 120.40 104.41 3gfa s VAL 97 Ca -0.04 -0.47 0.03 0.00 -1.81 0.00 0.00 61.98 59.68 3gfa s VAL 97 Cb 0.15 -0.43 0.01 0.00 0.56 0.00 0.00 36.38 36.67 3gfa s VAL 97 CO 0.68 -0.26 -0.11 -0.89 -0.31 0.00 0.00 175.10 174.20 3gfa s THR 98 N -0.99 1.01 -0.18 5.32 2.01 -1.10 -0.91 115.64 120.81 3gfa s THR 98 Ca -0.11 -0.46 -0.02 0.00 0.31 0.00 0.00 61.69 61.41 3gfa s THR 98 Cb -0.06 -0.91 -0.01 0.00 0.01 0.00 0.00 72.50 71.54 3gfa s THR 98 CO 0.02 0.31 -0.08 -0.63 -0.69 0.00 0.00 174.62 173.55 3gfa s ILE 99 N 0.34 3.25 0.12 1.82 1.01 0.31 -0.57 121.20 127.48 3gfa s ILE 99 Ca -0.07 -0.56 -0.24 0.00 0.00 0.00 0.00 60.65 59.78 3gfa s ILE 99 Cb -0.12 -2.43 -0.07 0.00 0.01 0.00 0.00 42.46 39.85 3gfa s ILE 99 CO 0.02 0.47 0.72 -0.36 0.00 0.00 0.00 174.94 175.79 3gfa s PHE 100 N 0.94 3.85 -0.17 3.97 0.40 0.48 -0.46 117.98 126.99 3gfa s PHE 100 Ca -0.01 1.51 -0.02 0.00 -0.60 0.00 0.00 56.93 57.81 3gfa s PHE 100 Cb -0.15 -2.71 -0.01 0.00 0.51 0.00 0.00 43.02 40.66 3gfa s PHE 100 CO 0.00 0.48 -0.08 0.42 0.70 0.00 0.00 175.22 176.74 3gfa s ILE 101 N -0.91 3.29 0.26 0.64 -1.09 0.25 -1.02 121.20 122.62 3gfa s ILE 101 Ca 0.35 -0.55 0.11 0.00 -2.23 0.00 0.00 60.65 58.32 3gfa s ILE 101 Cb -0.22 -2.44 -0.05 0.00 -1.58 0.00 0.00 42.46 38.18 3gfa s ILE 101 CO 0.24 0.48 -0.12 -0.76 -1.23 0.00 0.00 174.94 173.55 3gfa s LEU 102 N 0.86 2.85 -0.32 2.97 1.43 0.80 -0.93 118.68 126.33 3gfa s LEU 102 Ca -0.02 -0.84 0.01 0.00 -1.03 0.00 0.00 54.13 52.25 3gfa s LEU 102 Cb -0.15 -1.39 0.08 0.00 0.03 0.00 0.00 46.19 44.76 3gfa s LEU 102 CO 0.01 0.03 0.02 0.21 0.23 0.00 0.00 176.35 176.86 3gfa s ASN 103 N -3.48 4.82 0.53 2.29 2.47 0.46 -1.18 114.94 120.85 3gfa s ASN 103 Ca 0.30 -1.68 0.35 0.00 0.42 0.00 0.00 52.86 52.25 3gfa s ASN 103 Cb -0.06 -1.67 1.79 0.00 -1.45 0.00 0.00 41.25 39.85 3gfa s ASN 103 CO 0.17 -0.33 2.07 -0.29 -3.72 0.00 0.00 177.10 175.00 3gfa h ILE 104 N 6.56 0.00 -0.49 -5.21 2.10 -1.27 -1.87 117.51 117.33 3gfa h ILE 104 Ca -0.15 -0.14 0.00 0.00 1.08 0.00 0.00 64.86 65.65 3gfa h ILE 104 Cb 1.04 1.01 0.00 0.00 -1.09 0.00 0.00 36.82 37.78 3gfa h ILE 104 CO 0.54 0.00 0.00 0.18 -1.08 0.00 0.00 178.15 177.79 3gfa n LEU 105 N -2.83 3.52 -4.78 2.19 4.77 -1.26 -4.86 117.00 113.76 3gfa n LEU 105 Ca -0.01 -1.70 -0.39 0.00 -0.03 0.00 0.00 56.01 53.88 3gfa n LEU 105 Cb 0.13 -0.32 -0.06 0.00 -2.33 0.00 0.00 43.42 40.85 3gfa n LEU 105 CO 0.20 0.81 0.54 -0.83 -1.33 0.00 0.00 177.39 176.77 3gfa s GLY 106 N -1.25 2.90 0.20 -0.72 0.00 -0.76 -4.98 107.32 102.72 3gfa s GLY 106 Ca 0.40 0.42 -0.12 0.00 0.00 0.00 0.00 44.72 45.41 3gfa s GLY 106 CO 0.30 0.90 0.57 0.54 0.00 0.00 0.00 173.10 175.41 3gfa s LYS 107 N -1.44 3.91 0.37 2.90 -0.14 -1.26 -4.39 119.74 119.69 3gfa s LYS 107 Ca 0.40 0.42 -0.26 0.00 -1.36 0.00 0.00 55.97 55.17 3gfa s LYS 107 Cb -0.22 -2.75 -0.11 0.00 -1.68 0.00 0.00 37.83 33.07 3gfa s LYS 107 CO 0.26 0.37 1.16 0.45 -0.76 0.00 0.00 175.35 176.83 3gfa n SER 108 N 0.25 2.06 0.22 2.83 2.88 -1.26 -4.85 113.62 115.74 3gfa n SER 108 Ca -0.02 1.13 0.15 0.00 -1.33 0.00 0.00 58.87 58.81 3gfa n SER 108 Cb 0.52 -1.42 0.71 0.00 -0.75 0.00 0.00 64.21 63.28 3gfa n SER 108 CO 0.00 0.00 0.00 1.55 -1.23 0.00 0.00 175.04 175.36 3gfa h PRO 109 N 2.07 0.00 0.00 -1.46 0.13 -1.99 -2.56 132.00 128.20 3gfa h PRO 109 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 3gfa h PRO 109 Cb 1.31 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.44 3gfa h PRO 109 CO 0.60 0.00 -0.03 1.28 -0.23 0.00 0.00 178.00 179.62 3gfa n LEU 110 N -2.62 0.50 -4.90 1.56 4.77 -1.26 -4.85 117.00 110.21 3gfa n LEU 110 Ca -0.00 0.53 -0.32 0.00 -0.03 0.00 0.00 56.01 56.18 3gfa n LEU 110 Cb 0.16 -0.38 -0.05 0.00 -2.33 0.00 0.00 43.42 40.83 3gfa n LEU 110 CO 0.19 -0.10 -0.04 -1.61 -1.33 0.00 0.00 177.39 174.50 3gfa s GLU 111 N -3.06 3.57 0.16 3.23 2.02 -0.97 -5.09 118.70 118.56 3gfa s GLU 111 Ca 0.12 -0.16 -0.19 0.00 0.02 0.00 0.00 54.97 54.76 3gfa s GLU 111 Cb 0.15 -2.96 -0.08 0.00 0.10 0.00 0.00 34.13 31.34 3gfa s GLU 111 CO 0.58 0.55 0.65 0.15 0.02 0.00 0.00 175.26 177.21 3gfa s LYS 112 N -2.37 4.20 -0.01 1.61 -0.14 -1.26 -4.93 119.74 116.85 3gfa s LYS 112 Ca 0.36 0.77 0.07 0.00 -1.36 0.00 0.00 55.97 55.81 3gfa s LYS 112 Cb -0.13 -3.01 -0.02 0.00 -1.68 0.00 0.00 37.83 32.99 3gfa s LYS 112 CO 0.23 0.49 -0.22 -0.51 -0.76 0.00 0.00 175.35 174.57 3gfa s LEU 113 N -1.70 2.07 0.90 3.17 1.43 -1.26 -5.13 118.68 118.16 3gfa s LEU 113 Ca 0.38 -0.43 -0.11 0.00 -1.03 0.00 0.00 54.13 52.94 3gfa s LEU 113 Cb -0.17 -1.14 0.13 0.00 0.03 0.00 0.00 46.19 45.04 3gfa s LEU 113 CO 0.21 0.26 1.09 -0.94 0.23 0.00 0.00 176.35 177.20 3gfa s SER 114 N -0.65 3.32 0.25 2.29 1.04 -1.26 -4.80 113.70 113.88 3gfa s SER 114 Ca 0.09 1.70 -0.03 0.00 0.48 0.00 0.00 55.95 58.19 3gfa s SER 114 Cb -0.09 -2.34 0.45 0.00 0.10 0.00 0.00 66.02 64.14 3gfa s SER 114 CO -0.00 -2.77 1.78 -0.65 0.98 0.00 0.00 173.24 172.57 3gfa h PRO 115 N -1.64 0.64 -0.64 4.02 0.11 -2.00 -0.57 132.00 131.92 3gfa h PRO 115 Ca -0.48 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 65.58 3gfa h PRO 115 Cb 1.27 -0.14 -0.03 0.00 0.11 0.00 0.00 31.00 32.21 3gfa h PRO 115 CO 0.51 0.42 0.37 1.49 -0.21 0.00 0.00 178.00 180.58 3gfa h GLU 116 N 0.66 0.88 -0.47 1.05 4.81 -2.00 -0.52 114.58 118.99 3gfa h GLU 116 Ca 0.42 -0.09 -0.06 0.00 -0.13 0.00 0.00 59.36 59.50 3gfa h GLU 116 Cb 0.51 -0.18 -0.02 0.00 0.63 0.00 0.00 28.75 29.69 3gfa h GLU 116 CO -0.31 0.64 0.03 0.93 -0.73 0.00 0.00 179.01 179.57 3gfa h GLU 117 N 0.86 0.76 -0.48 1.92 5.08 -1.76 -1.71 114.58 119.25 3gfa h GLU 117 Ca 0.23 -0.18 -0.01 0.00 -1.00 0.00 0.00 59.36 58.40 3gfa h GLU 117 Cb 0.01 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.14 3gfa h GLU 117 CO -0.04 0.75 0.28 0.00 -1.00 0.00 0.00 179.01 179.00 3gfa h ARG 118 N 0.72 0.67 -0.75 2.33 2.47 -0.47 -1.27 114.38 118.07 3gfa h ARG 118 Ca 0.15 -0.07 -0.03 0.00 -1.26 0.00 0.00 59.98 58.77 3gfa h ARG 118 Cb 0.39 -0.13 -0.03 0.00 -1.65 0.00 0.00 29.97 28.54 3gfa h ARG 118 CO 0.01 0.51 0.37 0.74 0.56 0.00 0.00 179.97 182.16 3gfa h PHE 119 N 0.64 1.08 -0.55 3.04 0.04 -0.70 -2.40 116.94 118.09 3gfa h PHE 119 Ca 0.17 -0.05 -0.01 0.00 2.80 0.00 0.00 57.97 60.89 3gfa h PHE 119 Cb 0.02 -0.34 -0.03 0.00 2.20 0.00 0.00 35.95 37.81 3gfa h PHE 119 CO -0.02 0.79 0.32 1.88 -0.60 0.00 0.00 178.31 180.67 3gfa h TYR 120 N 1.06 0.74 0.00 -0.55 -1.99 -1.12 -0.57 116.97 114.54 3gfa h TYR 120 Ca 0.26 -0.01 0.00 0.00 2.00 0.00 0.00 58.73 60.98 3gfa h TYR 120 Cb 0.10 -0.24 0.00 0.00 2.00 0.00 0.00 36.73 38.60 3gfa h TYR 120 CO 0.01 0.52 0.00 -1.91 -0.00 0.00 0.00 178.16 176.78 3gfa n GLU 121 N -4.64 0.13 0.00 4.88 2.13 -0.50 -1.07 120.64 121.58 3gfa n GLU 121 Ca 0.03 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.85 3gfa n GLU 121 Cb 0.07 -1.33 0.00 0.00 0.27 0.00 0.00 31.44 30.45 3gfa n GLU 121 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 3gfa n ALA 123 N 0.79 0.00 0.39 4.31 0.00 -0.22 -4.49 120.51 121.29 3gfa n ALA 123 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3gfa n ALA 123 Cb 0.06 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.51 3gfa n ALA 123 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3gfa n ASN 124 N 0.00 0.99 0.00 0.00 3.02 -0.23 -2.04 115.26 116.99 3gfa n ASN 124 Ca 0.00 -0.78 0.00 0.00 -0.03 0.00 0.00 54.58 53.77 3gfa n ASN 124 Cb 0.00 -0.19 0.00 0.00 -0.61 0.00 0.00 39.78 38.98 3gfa n ASN 124 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3gfa n GLN 126 N 0.69 0.00 -0.08 3.52 10.64 -1.26 -1.29 117.38 129.60 3gfa n GLN 126 Ca 0.00 0.00 -0.08 0.00 -1.83 0.00 0.00 57.00 55.09 3gfa n GLN 126 Cb 0.17 0.00 -0.01 0.00 -0.86 0.00 0.00 30.24 29.54 3gfa n GLN 126 CO 0.00 0.00 0.00 0.77 -1.83 0.00 0.00 177.06 176.00 3gfa h SER 127 N 0.00 0.21 -0.39 2.61 0.02 -1.71 -1.05 113.55 113.23 3gfa h SER 127 Ca 0.00 0.01 -0.06 0.00 -0.84 0.00 0.00 61.79 60.91 3gfa h SER 127 Cb 0.00 -0.02 -0.02 0.00 0.14 0.00 0.00 62.40 62.49 3gfa h SER 127 CO 0.00 0.16 0.05 0.40 -1.14 0.00 0.00 176.83 176.30 3gfa h ILE 128 N 0.30 1.22 -0.91 3.27 2.04 -1.47 -1.84 117.51 120.12 3gfa h ILE 128 Ca 0.12 -0.87 0.01 0.00 1.00 0.00 0.00 64.86 65.12 3gfa h ILE 128 Cb 0.04 0.81 -0.05 0.00 -0.74 0.00 0.00 36.82 36.89 3gfa h ILE 128 CO -0.09 0.31 0.60 1.23 0.00 0.00 0.00 178.15 180.21 3gfa h GLY 129 N 0.94 1.28 0.77 5.37 0.00 -1.71 -0.25 103.07 109.47 3gfa h GLY 129 Ca 0.15 -0.47 0.04 0.00 0.00 0.00 0.00 47.33 47.05 3gfa h GLY 129 CO 0.01 0.45 0.35 0.00 0.00 0.00 0.00 176.54 177.35 3gfa h ALA 130 N 1.44 0.80 -0.09 3.60 0.00 -0.42 -0.12 119.26 124.47 3gfa h ALA 130 Ca 0.34 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 55.25 3gfa h ALA 130 Cb -0.11 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 17.54 3gfa h ALA 130 CO -0.08 0.05 0.05 0.00 0.00 0.00 0.00 179.25 179.27 3gfa h ALA 131 N 1.30 0.11 -0.33 0.00 0.00 -0.69 -0.26 119.26 119.39 3gfa h ALA 131 Ca 0.26 -0.04 -0.08 0.00 0.00 0.00 0.00 54.91 55.05 3gfa h ALA 131 Cb 0.11 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 3gfa h ALA 131 CO -0.14 -0.36 -0.14 0.82 0.00 0.00 0.00 179.25 179.43 3gfa h ILE 132 N 0.06 1.24 -0.53 0.00 2.04 -0.90 -2.47 117.51 116.95 3gfa h ILE 132 Ca 0.03 -1.10 -0.05 0.00 1.00 0.00 0.00 64.86 64.73 3gfa h ILE 132 Cb 0.06 1.14 -0.02 0.00 -0.74 0.00 0.00 36.82 37.26 3gfa h ILE 132 CO -0.01 0.36 0.12 -0.61 0.00 0.00 0.00 178.15 178.02 3gfa h GLN 133 N 0.53 0.85 -0.80 2.37 5.75 -0.88 0.07 115.11 123.01 3gfa h GLN 133 Ca 0.09 -0.21 0.00 0.00 -0.15 0.00 0.00 58.65 58.38 3gfa h GLN 133 Cb 0.55 -0.11 0.00 0.00 1.07 0.00 0.00 27.48 28.99 3gfa h GLN 133 CO 0.03 0.81 0.00 0.09 -2.65 0.00 0.00 178.83 177.12 3gfa n ASN 134 N -4.42 0.00 0.00 -0.69 3.02 -0.12 -0.86 115.26 112.19 3gfa n ASN 134 Ca 0.02 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.57 3gfa n ASN 134 Cb 0.23 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.40 3gfa n ASN 134 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 3gfa n SER 136 N 0.63 0.00 -0.13 6.41 7.64 0.01 -1.22 113.62 126.96 3gfa n SER 136 Ca 0.00 0.00 -0.06 0.00 1.01 0.00 0.00 58.87 59.82 3gfa n SER 136 Cb 0.00 0.00 0.13 0.00 -1.01 0.00 0.00 64.21 63.33 3gfa n SER 136 CO 0.00 0.00 0.00 -0.07 -3.01 0.00 0.00 175.04 171.96 3gfa h LEU 137 N 0.00 0.83 -0.59 -3.43 3.38 -1.26 -2.29 115.31 111.94 3gfa h LEU 137 Ca 0.00 -0.21 -0.12 0.00 0.09 0.00 0.00 57.88 57.64 3gfa h LEU 137 Cb 0.00 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.51 3gfa h LEU 137 CO 0.00 0.90 -0.19 0.74 0.09 0.00 0.00 178.44 179.98 3gfa h THR 138 N 0.79 1.27 -0.56 0.22 2.02 -1.40 -1.75 112.91 113.50 3gfa h THR 138 Ca 0.15 -1.33 0.06 0.00 0.77 0.00 0.00 66.41 66.06 3gfa h THR 138 Cb 0.49 1.11 -0.05 0.00 -1.74 0.00 0.00 68.15 67.95 3gfa h THR 138 CO 0.02 0.46 0.27 0.00 0.37 0.00 0.00 175.52 176.64 3gfa h ALA 139 N 0.97 0.72 -0.43 6.16 0.00 -1.76 -1.17 119.26 123.75 3gfa h ALA 139 Ca 0.11 0.03 0.02 0.00 0.00 0.00 0.00 54.91 55.08 3gfa h ALA 139 Cb 0.74 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.45 3gfa h ALA 139 CO 0.06 -0.09 0.26 0.28 0.00 0.00 0.00 179.25 179.76 3gfa h VAL 140 N 0.51 1.05 -0.52 0.00 2.07 -1.08 0.85 116.25 119.13 3gfa h VAL 140 Ca 0.26 -0.18 0.04 0.00 0.82 0.00 0.00 66.70 67.64 3gfa h VAL 140 Cb 0.20 0.48 -0.03 0.00 -1.52 0.00 0.00 31.29 30.42 3gfa h VAL 140 CO -0.20 0.09 0.34 -0.33 0.02 0.00 0.00 177.57 177.50 3gfa h GLU 141 N 0.52 0.55 -0.01 1.57 3.07 -0.69 -1.11 114.58 118.48 3gfa h GLU 141 Ca 0.17 -0.03 0.00 0.00 -0.50 0.00 0.00 59.36 59.00 3gfa h GLU 141 Cb 0.01 -0.12 0.00 0.00 -0.84 0.00 0.00 28.75 27.80 3gfa h GLU 141 CO -0.08 0.36 -0.02 1.28 -1.40 0.00 0.00 179.01 179.15 3gfa n LEU 142 N -4.47 0.53 0.00 1.33 4.77 -0.50 -4.91 117.00 113.75 3gfa n LEU 142 Ca 0.06 -0.13 0.00 0.00 -0.03 0.00 0.00 56.01 55.91 3gfa n LEU 142 Cb 0.16 -0.05 0.00 0.00 -2.33 0.00 0.00 43.42 41.20 3gfa n LEU 142 CO 0.35 0.09 0.00 0.61 -1.33 0.00 0.00 177.39 177.11 3gfa n GLY 143 N 1.12 0.74 3.96 -0.72 0.00 -0.42 -5.06 105.19 104.81 3gfa n GLY 143 Ca 0.20 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 46.00 3gfa n GLY 143 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3gfa s LEU 144 N 0.00 3.23 0.40 0.99 1.02 0.22 -4.44 118.68 120.09 3gfa s LEU 144 Ca 0.00 0.13 0.08 0.00 0.02 0.00 0.00 54.13 54.36 3gfa s LEU 144 Cb 0.00 -2.97 -0.07 0.00 0.02 0.00 0.00 46.19 43.17 3gfa s LEU 144 CO 0.00 -1.18 0.01 -0.83 0.02 0.00 0.00 176.35 174.38 3gfa s GLY 145 N -4.42 2.41 0.17 -3.19 0.00 0.41 -3.57 107.32 99.14 3gfa s GLY 145 Ca 0.57 -2.23 -0.13 0.00 0.00 0.00 0.00 44.72 42.93 3gfa s GLY 145 CO 0.40 -2.06 0.38 -1.35 0.00 0.00 0.00 173.10 170.47 3gfa s SER 146 N -3.72 -0.09 -0.07 1.64 1.04 -1.26 -2.30 113.70 108.94 3gfa s SER 146 Ca 0.35 -0.67 -0.00 0.00 0.48 0.00 0.00 55.95 56.11 3gfa s SER 146 Cb 0.07 0.49 0.02 0.00 0.10 0.00 0.00 66.02 66.71 3gfa s SER 146 CO 0.18 -0.95 -0.03 -0.22 0.98 0.00 0.00 173.24 173.21 3gfa s LEU 147 N -2.91 0.95 0.04 2.42 2.96 -0.01 -1.11 118.68 121.02 3gfa s LEU 147 Ca 0.12 -0.14 -0.27 0.00 -0.22 0.00 0.00 54.13 53.62 3gfa s LEU 147 Cb 0.02 -0.53 -0.05 0.00 0.50 0.00 0.00 46.19 46.13 3gfa s LEU 147 CO -0.03 -0.13 0.85 0.86 -1.32 0.00 0.00 176.35 176.59 3gfa s TRP 148 N 1.57 3.72 -0.12 5.38 -0.11 -1.26 -1.16 118.94 126.96 3gfa s TRP 148 Ca -0.00 1.58 -0.01 0.00 1.22 0.00 0.00 56.10 58.89 3gfa s TRP 148 Cb -0.13 -2.94 0.03 0.00 -1.50 0.00 0.00 33.47 28.93 3gfa s TRP 148 CO -0.04 0.17 -0.06 0.42 -4.62 0.00 0.00 176.95 172.83 3gfa s ILE 149 N 0.29 0.92 -1.72 5.86 1.01 0.75 -4.95 121.20 123.37 3gfa s ILE 149 Ca 0.43 -0.28 0.14 0.00 0.00 0.00 0.00 60.65 60.94 3gfa s ILE 149 Cb -0.21 -1.00 0.13 0.00 0.01 0.00 0.00 42.46 41.40 3gfa s ILE 149 CO 0.25 0.29 0.98 0.00 0.00 0.00 0.00 174.94 176.46 3gfa h ASP 151 N 2.75 0.00 -0.10 0.00 3.32 -1.97 -0.05 116.42 120.38 3gfa h ASP 151 Ca 0.00 0.00 0.03 0.00 0.02 0.00 0.00 57.03 57.08 3gfa h ASP 151 Cb 0.60 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.15 3gfa h ASP 151 CO 0.00 0.00 0.39 -0.37 -1.72 0.00 0.00 179.24 177.54 3gfa h VAL 152 N 0.00 0.08 0.00 -1.35 -1.51 -1.97 -1.79 116.25 109.72 3gfa h VAL 152 Ca 0.00 0.00 -0.01 0.00 -1.23 0.00 0.00 66.70 65.46 3gfa h VAL 152 Cb 0.03 0.63 -0.00 0.00 -2.13 0.00 0.00 31.29 29.82 3gfa h VAL 152 CO 0.00 0.00 -0.04 1.88 -1.23 0.00 0.00 177.57 178.18 3gfa h TYR 153 N 0.00 0.00 0.00 5.19 0.05 -1.35 -0.35 116.97 120.51 3gfa h TYR 153 Ca 0.05 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.83 3gfa h TYR 153 Cb 0.83 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.57 3gfa h TYR 153 CO 0.00 0.04 0.00 1.19 -1.05 0.00 0.00 178.16 178.34 3gfa n PHE 154 N -3.25 0.00 -2.63 4.88 3.72 -0.67 -2.73 117.46 116.78 3gfa n PHE 154 Ca -0.01 0.00 -0.02 0.00 -0.05 0.00 0.00 57.45 57.37 3gfa n PHE 154 Cb 0.20 -0.25 0.05 0.00 -0.94 0.00 0.00 39.48 38.54 3gfa n PHE 154 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3gfa n ALA 155 N -1.25 2.86 0.14 4.37 0.00 -0.16 -3.12 120.51 123.35 3gfa n ALA 155 Ca 0.09 -2.81 -0.14 0.00 0.00 0.00 0.00 53.44 50.58 3gfa n ALA 155 Cb 0.13 -0.77 -0.07 0.00 0.00 0.00 0.00 19.45 18.75 3gfa n ALA 155 CO 0.00 0.00 0.00 -0.92 0.00 0.00 0.00 177.50 176.58 3gfa h TYR 156 N 2.17 -1.04 -0.45 0.00 3.20 -1.30 0.11 116.97 119.67 3gfa h TYR 156 Ca -0.09 0.02 -0.11 0.00 3.14 0.00 0.00 58.73 61.68 3gfa h TYR 156 Cb 1.42 0.43 -0.02 0.00 1.54 0.00 0.00 36.73 40.11 3gfa h TYR 156 CO 0.49 -0.49 -0.18 0.00 -1.64 0.00 0.00 178.16 176.34 3gfa h ARG 157 N -0.65 0.87 -0.52 1.82 3.08 -1.90 -1.37 114.38 115.71 3gfa h ARG 157 Ca 0.01 -0.34 -0.09 0.00 0.07 0.00 0.00 59.98 59.64 3gfa h ARG 157 Cb 0.65 -0.05 -0.02 0.00 0.08 0.00 0.00 29.97 30.64 3gfa h ARG 157 CO -0.18 0.98 -0.03 0.93 -1.07 0.00 0.00 179.97 180.59 3gfa h GLU 158 N 0.76 0.94 -0.07 0.04 3.07 -1.83 -1.32 114.58 116.18 3gfa h GLU 158 Ca 0.11 -0.31 -0.18 0.00 -0.50 0.00 0.00 59.36 58.47 3gfa h GLU 158 Cb 0.71 -0.08 -0.01 0.00 -0.84 0.00 0.00 28.75 28.53 3gfa h GLU 158 CO 0.05 0.97 -0.74 -0.07 -1.40 0.00 0.00 179.01 177.82 3gfa h LEU 159 N 0.81 0.45 -0.89 1.33 3.38 -0.67 -0.65 115.31 119.06 3gfa h LEU 159 Ca 0.14 -0.30 -0.05 0.00 0.09 0.00 0.00 57.88 57.76 3gfa h LEU 159 Cb 0.57 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 41.15 3gfa h LEU 159 CO 0.03 1.04 0.22 0.00 0.09 0.00 0.00 178.44 179.83 3gfa h GLU 161 N 1.00 0.24 -0.44 0.00 5.08 -1.13 -1.62 114.58 117.70 3gfa h GLU 161 Ca 0.22 -0.04 0.01 0.00 -1.00 0.00 0.00 59.36 58.56 3gfa h GLU 161 Cb 0.27 -0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.45 3gfa h GLU 161 CO -0.01 0.32 0.27 2.35 -1.00 0.00 0.00 179.01 180.94 3gfa h TRP 162 N 0.11 0.51 0.00 4.33 7.01 -0.78 -0.51 115.95 126.62 3gfa h TRP 162 Ca 0.05 0.01 0.00 0.00 2.11 0.00 0.00 58.89 61.07 3gfa h TRP 162 Cb 0.16 -0.17 0.00 0.00 -2.10 0.00 0.00 29.16 27.06 3gfa h TRP 162 CO -0.02 0.30 0.00 -0.07 -2.79 0.00 0.00 178.44 175.87 3gfa h LEU 163 N 0.55 0.00 -2.15 0.65 3.38 -0.88 -3.47 115.31 113.39 3gfa h LEU 163 Ca 0.17 0.00 -0.48 0.00 0.09 0.00 0.00 57.88 57.66 3gfa h LEU 163 Cb -0.01 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.73 3gfa h LEU 163 CO -0.07 0.00 -0.89 -3.20 0.09 0.00 0.00 178.44 174.37 3gfa n ASN 164 N -2.63 -1.37 -4.63 -0.43 5.15 -0.20 -4.97 115.26 106.17 3gfa n ASN 164 Ca 0.01 -0.98 -0.31 0.00 -0.60 0.00 0.00 54.58 52.70 3gfa n ASN 164 Cb 0.23 -3.25 -0.09 0.00 -0.53 0.00 0.00 39.78 36.15 3gfa n ASN 164 CO 0.00 0.00 0.00 0.28 1.40 0.00 0.00 177.26 178.94 3gfa s THR 165 N -3.82 3.75 -2.59 -0.44 -1.32 -1.06 -5.00 115.64 105.16 3gfa s THR 165 Ca 0.09 -0.98 0.27 0.00 -1.21 0.00 0.00 61.69 59.86 3gfa s THR 165 Cb -0.03 -2.73 0.42 0.00 -1.51 0.00 0.00 72.50 68.65 3gfa s THR 165 CO 0.87 0.21 1.58 0.47 -2.21 0.00 0.00 174.62 175.55 3gfa n ASP 166 N 0.93 1.91 -4.96 8.08 8.00 -1.26 -4.87 116.55 124.38 3gfa n ASP 166 Ca -0.13 -1.61 -0.23 0.00 0.71 0.00 0.00 54.79 53.54 3gfa n ASP 166 Cb 0.52 0.02 0.01 0.00 -0.02 0.00 0.00 41.12 41.65 3gfa n ASP 166 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 3gfa s SER 167 N -2.04 5.79 0.03 -2.24 0.01 -1.26 -5.01 113.70 108.97 3gfa s SER 167 Ca 0.34 0.25 -0.30 0.00 1.31 0.00 0.00 55.95 57.55 3gfa s SER 167 Cb 0.21 -1.47 -0.04 0.00 0.21 0.00 0.00 66.02 64.93 3gfa s SER 167 CO 0.34 -0.74 0.97 -1.58 0.41 0.00 0.00 173.24 172.65 3gfa s GLN 168 N -4.57 4.59 -0.08 12.44 0.74 -0.87 -4.87 119.66 127.04 3gfa s GLN 168 Ca 0.49 1.42 -0.30 0.00 0.05 0.00 0.00 55.36 57.03 3gfa s GLN 168 Cb -0.10 -3.44 -0.02 0.00 1.10 0.00 0.00 33.01 30.55 3gfa s GLN 168 CO 0.38 0.01 1.03 -1.17 -0.55 0.00 0.00 175.29 174.99 3gfa s LEU 169 N 0.77 4.27 -0.19 3.68 2.96 -1.26 -0.41 118.68 128.50 3gfa s LEU 169 Ca 0.51 1.60 -0.01 0.00 -0.22 0.00 0.00 54.13 56.00 3gfa s LEU 169 Cb -0.22 -3.56 -0.12 0.00 0.50 0.00 0.00 46.19 42.80 3gfa s LEU 169 CO 0.28 -0.44 -0.19 0.52 -1.32 0.00 0.00 176.35 175.20 3gfa n VAL 170 N 4.46 1.10 -3.69 1.68 0.31 -0.11 -4.92 118.33 117.15 3gfa n VAL 170 Ca 0.09 -0.38 -0.00 0.00 -0.01 0.00 0.00 64.34 64.03 3gfa n VAL 170 Cb 0.49 -1.32 -0.01 0.00 -0.91 0.00 0.00 33.84 32.09 3gfa n VAL 170 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3gfa s ALA 171 N -2.38 -2.01 0.22 3.52 0.00 -1.06 -4.86 121.76 115.20 3gfa s ALA 171 Ca -0.26 0.42 0.09 0.00 0.00 0.00 0.00 51.96 52.20 3gfa s ALA 171 Cb 0.08 0.50 -0.05 0.00 0.00 0.00 0.00 23.12 23.65 3gfa s ALA 171 CO 0.42 -1.06 -0.17 0.00 0.00 0.00 0.00 175.76 174.96 3gfa s ALA 172 N -2.71 2.23 -0.08 0.00 0.00 -0.41 -0.59 121.76 120.20 3gfa s ALA 172 Ca 0.14 -1.70 -0.00 0.00 0.00 0.00 0.00 51.96 50.40 3gfa s ALA 172 Cb 0.02 -0.15 0.02 0.00 0.00 0.00 0.00 23.12 23.02 3gfa s ALA 172 CO -0.01 0.15 -0.05 -1.50 0.00 0.00 0.00 175.76 174.35 3gfa s ILE 173 N -2.72 0.72 0.05 0.00 2.07 0.39 -0.18 121.20 121.52 3gfa s ILE 173 Ca 0.24 -0.14 -0.09 0.00 -1.41 0.00 0.00 60.65 59.25 3gfa s ILE 173 Cb -0.03 -0.77 -0.05 0.00 0.13 0.00 0.00 42.46 41.74 3gfa s ILE 173 CO 0.09 0.30 0.35 -0.44 -1.91 0.00 0.00 174.94 173.33 3gfa s SER 174 N 1.48 6.59 0.02 4.50 0.01 -0.31 -0.53 113.70 125.47 3gfa s SER 174 Ca -0.01 0.71 -0.01 0.00 1.31 0.00 0.00 55.95 57.95 3gfa s SER 174 Cb -0.13 -2.15 -0.02 0.00 0.21 0.00 0.00 66.02 63.93 3gfa s SER 174 CO -0.04 0.21 -0.00 -0.76 0.41 0.00 0.00 173.24 173.06 3gfa s LEU 175 N -1.80 2.14 0.00 2.44 1.43 -0.09 -0.83 118.68 121.96 3gfa s LEU 175 Ca 0.30 -0.47 0.00 0.00 -1.03 0.00 0.00 54.13 52.93 3gfa s LEU 175 Cb -0.14 0.20 0.00 0.00 0.03 0.00 0.00 46.19 46.28 3gfa s LEU 175 CO 0.17 -0.32 0.00 0.61 0.23 0.00 0.00 176.35 177.04 3gfa n GLY 176 N 1.52 -0.32 3.75 -3.19 0.00 -0.97 -2.86 105.19 103.12 3gfa n GLY 176 Ca -0.23 -1.05 -0.41 0.00 0.00 0.00 0.00 46.02 44.33 3gfa n GLY 176 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3gfa s TYR 177 N -2.00 3.46 0.44 1.61 2.02 -1.26 -0.44 117.35 121.17 3gfa s TYR 177 Ca 0.00 1.56 -0.22 0.00 -0.37 0.00 0.00 57.07 58.04 3gfa s TYR 177 Cb 0.00 -3.39 -0.09 0.00 -0.40 0.00 0.00 41.96 38.08 3gfa s TYR 177 CO 0.00 -0.95 1.04 -1.25 -1.57 0.00 0.00 175.55 172.82 3gfa s PRO 178 N -1.01 4.00 -0.17 -1.71 0.04 -1.26 -0.21 135.00 134.68 3gfa s PRO 178 Ca 0.48 1.42 0.14 0.00 0.04 0.00 0.00 61.00 63.08 3gfa s PRO 178 Cb -0.33 -2.31 0.40 0.00 0.04 0.00 0.00 34.50 32.29 3gfa s PRO 178 CO 0.41 -0.27 1.20 -3.47 0.04 0.00 0.00 177.00 174.90 3gfa n ASP 179 N -0.52 1.64 -3.61 6.66 2.03 0.27 -4.40 116.55 118.62 3gfa n ASP 179 Ca 0.07 -3.51 -0.10 0.00 0.52 0.00 0.00 54.79 51.77 3gfa n ASP 179 Cb 0.51 -0.48 -0.03 0.00 -0.72 0.00 0.00 41.12 40.40 3gfa n ASP 179 CO 0.00 0.00 0.00 -1.83 -1.92 0.00 0.00 177.20 173.45 3gfa s GLU 180 N -2.68 1.38 -0.41 -0.67 -1.05 -1.25 -4.82 118.70 109.20 3gfa s GLU 180 Ca 0.36 -0.70 0.05 0.00 -0.15 0.00 0.00 54.97 54.53 3gfa s GLU 180 Cb 0.35 0.56 0.19 0.00 -0.44 0.00 0.00 34.13 34.80 3gfa s GLU 180 CO -0.07 -0.60 0.39 -1.91 0.95 0.00 0.00 175.26 174.02 3gfa n GLU 181 N -0.37 0.32 -2.09 -4.83 4.07 -1.26 -5.03 120.64 111.46 3gfa n GLU 181 Ca -0.13 -3.17 -0.38 0.00 -0.06 0.00 0.00 57.16 53.42 3gfa n GLU 181 Cb 0.63 -1.55 0.01 0.00 -0.06 0.00 0.00 31.44 30.47 3gfa n GLU 181 CO 0.00 0.00 0.00 -2.14 -0.06 0.00 0.00 177.13 174.93 3gfa s PRO 182 N -0.26 3.63 0.86 5.31 0.02 -1.26 -5.02 135.00 138.29 3gfa s PRO 182 Ca 0.34 1.97 -0.12 0.00 0.02 0.00 0.00 61.00 63.21 3gfa s PRO 182 Cb 0.07 -2.44 0.11 0.00 0.02 0.00 0.00 34.50 32.27 3gfa s PRO 182 CO -0.18 -0.71 1.10 -1.54 -0.33 0.00 0.00 177.00 175.34 3gfa s SER 183 N -1.13 3.83 0.22 2.53 1.04 -1.26 -4.93 113.70 114.00 3gfa s SER 183 Ca 0.64 1.33 -0.32 0.00 0.48 0.00 0.00 55.95 58.08 3gfa s SER 183 Cb -0.34 -2.02 -0.14 0.00 0.10 0.00 0.00 66.02 63.63 3gfa s SER 183 CO 0.41 -2.39 1.38 -1.14 0.98 0.00 0.00 173.24 172.48 3gfa n ARG 184 N -3.71 1.87 -1.57 4.02 0.63 -1.26 -4.96 116.66 111.68 3gfa n ARG 184 Ca 0.07 0.67 -0.31 0.00 -0.92 0.00 0.00 57.85 57.35 3gfa n ARG 184 Cb 0.56 -2.30 0.05 0.00 0.45 0.00 0.00 32.46 31.22 3gfa n ARG 184 CO 0.00 0.00 0.00 1.03 -2.51 0.00 0.00 177.63 176.15 3gfa s ARG 185 N -0.24 2.86 0.45 -0.14 3.00 -1.26 -4.96 118.95 118.66 3gfa s ARG 185 Ca 0.71 1.03 -0.25 0.00 0.00 0.00 0.00 55.73 57.21 3gfa s ARG 185 Cb -0.70 -1.98 -0.09 0.00 0.00 0.00 0.00 34.95 32.19 3gfa s ARG 185 CO 0.49 -1.16 1.27 -2.30 0.00 0.00 0.00 175.30 173.59 3gfa n PRO 186 N -3.06 1.86 -3.98 3.54 -0.02 -1.26 -5.01 135.00 127.07 3gfa n PRO 186 Ca 0.08 0.67 -0.13 0.00 -2.02 0.00 0.00 63.50 62.10 3gfa n PRO 186 Cb 0.53 -2.40 -0.14 0.00 -0.02 0.00 0.00 33.50 31.48 3gfa n PRO 186 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 3gfa s ARG 187 N -2.32 0.19 0.62 -0.52 1.81 -1.26 -5.14 118.95 112.33 3gfa s ARG 187 Ca 0.63 -0.16 -0.19 0.00 -1.72 0.00 0.00 55.73 54.29 3gfa s ARG 187 Cb -0.49 -0.13 -0.02 0.00 -0.45 0.00 0.00 34.95 33.86 3gfa s ARG 187 CO 0.56 0.03 1.28 1.28 -0.68 0.00 0.00 175.30 177.78 3gfa n LEU 188 N 2.80 5.75 -4.95 2.53 4.77 -1.26 -5.02 117.00 121.63 3gfa n LEU 188 Ca -0.14 0.86 -0.24 0.00 -0.03 0.00 0.00 56.01 56.46 3gfa n LEU 188 Cb 0.59 -1.55 0.03 0.00 -2.33 0.00 0.00 43.42 40.16 3gfa n LEU 188 CO 0.25 -0.98 0.42 -1.10 -1.33 0.00 0.00 177.39 174.64 3gfa s GLN 189 N -3.22 2.75 0.20 3.23 -0.21 -1.26 -4.96 119.66 116.19 3gfa s GLN 189 Ca 0.80 -0.42 -0.22 0.00 0.02 0.00 0.00 55.36 55.53 3gfa s GLN 189 Cb -0.39 -2.41 0.13 0.00 1.00 0.00 0.00 33.01 31.33 3gfa s GLN 189 CO 0.43 -0.65 1.56 -0.07 -2.12 0.00 0.00 175.29 174.44 3gfa h LEU 190 N 0.02 -1.57 -2.50 2.90 3.38 -1.98 -0.04 115.31 115.52 3gfa h LEU 190 Ca -0.44 0.29 -0.00 0.00 0.09 0.00 0.00 57.88 57.81 3gfa h LEU 190 Cb 1.28 0.76 -0.00 0.00 0.09 0.00 0.00 40.66 42.79 3gfa h LEU 190 CO 0.57 -0.29 -0.02 0.77 0.09 0.00 0.00 178.44 179.56 3gfa h SER 191 N -0.06 0.00 1.68 -0.43 4.64 -1.94 -0.52 113.55 116.92 3gfa h SER 191 Ca 0.26 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 61.52 3gfa h SER 191 Cb 0.55 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.63 3gfa h SER 191 CO -0.89 0.02 -0.28 0.44 -0.87 0.00 0.00 176.83 175.25 3gfa h ASP 192 N 0.00 0.00 0.00 4.97 3.32 -1.37 -3.37 116.42 119.97 3gfa h ASP 192 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3gfa h ASP 192 Cb 0.11 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.66 3gfa h ASP 192 CO 0.00 0.28 0.00 1.33 -1.72 0.00 0.00 179.24 179.14 3gfa n VAL 193 N -3.18 0.36 -4.83 -1.35 0.24 -0.31 -4.99 118.33 104.27 3gfa n VAL 193 Ca 0.03 -0.58 -0.25 0.00 -2.04 0.00 0.00 64.34 61.49 3gfa n VAL 193 Cb 0.64 0.93 -0.16 0.00 -1.47 0.00 0.00 33.84 33.78 3gfa n VAL 193 CO 0.00 0.00 0.00 0.42 -2.14 0.00 0.00 176.83 175.11 3gfa s THR 194 N -0.36 1.39 -0.10 3.34 -4.23 -0.54 -5.08 115.64 110.06 3gfa s THR 194 Ca 0.00 -0.72 0.02 0.00 -1.18 0.00 0.00 61.69 59.81 3gfa s THR 194 Cb 0.00 -1.18 0.01 0.00 1.34 0.00 0.00 72.50 72.67 3gfa s THR 194 CO 0.00 0.40 -0.17 -1.61 -0.54 0.00 0.00 174.62 172.70 3gfa s GLU 195 N -0.16 2.31 -0.27 3.99 2.02 -1.26 -4.83 118.70 120.50 3gfa s GLU 195 Ca 0.01 -0.61 -0.10 0.00 0.02 0.00 0.00 54.97 54.29 3gfa s GLU 195 Cb -0.09 -1.89 -0.04 0.00 0.10 0.00 0.00 34.13 32.20 3gfa s GLU 195 CO 0.01 0.01 0.16 -1.58 0.02 0.00 0.00 175.26 173.88 3gfa s TRP 196 N 0.77 3.18 0.00 1.61 0.52 -1.26 -5.26 118.94 118.51 3gfa s TRP 196 Ca -0.11 -0.06 0.00 0.00 0.02 0.00 0.00 56.10 55.95 3gfa s TRP 196 Cb -0.16 -2.34 0.00 0.00 -1.15 0.00 0.00 33.47 29.82 3gfa s TRP 196 CO 0.02 -0.23 0.29 0.54 0.02 0.00 0.00 176.95 177.59