#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3fjv s THR 4 N 0.00 4.11 0.10 1.96 -4.23 -1.26 -5.01 115.64 111.31 3fjv s THR 4 Ca 0.00 -1.11 -0.21 0.00 -1.18 0.00 0.00 61.69 59.19 3fjv s THR 4 Cb 0.00 -3.41 -0.10 0.00 1.34 0.00 0.00 72.50 70.32 3fjv s THR 4 CO 0.00 -0.19 1.74 -0.09 -0.54 0.00 0.00 174.62 175.54 3fjv h ARG 5 N 1.04 0.16 0.00 3.99 9.65 -2.01 -1.85 114.38 125.36 3fjv h ARG 5 Ca -0.46 -0.01 0.00 0.00 -1.10 0.00 0.00 59.98 58.40 3fjv h ARG 5 Cb 1.25 -0.04 0.00 0.00 -1.39 0.00 0.00 29.97 29.80 3fjv h ARG 5 CO 0.55 0.13 0.00 -0.25 2.80 0.00 0.00 179.97 183.21 3fjv n ASP 6 N -4.99 0.52 0.05 -3.80 8.00 -1.26 -2.41 116.55 112.66 3fjv n ASP 6 Ca -0.05 0.70 0.12 0.00 0.71 0.00 0.00 54.79 56.28 3fjv n ASP 6 Cb 0.04 -0.78 0.29 0.00 -0.02 0.00 0.00 41.12 40.64 3fjv n ASP 6 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 3fjv n SER 7 N -2.16 0.59 -4.78 -2.24 3.41 -0.70 -4.92 113.62 102.83 3fjv n SER 7 Ca -0.00 0.18 -0.34 0.00 -0.26 0.00 0.00 58.87 58.44 3fjv n SER 7 Cb 0.10 -0.08 0.00 0.00 -0.26 0.00 0.00 64.21 63.96 3fjv n SER 7 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 3fjv s LEU 8 N -3.88 3.71 0.27 1.04 1.43 -1.01 -4.98 118.68 115.26 3fjv s LEU 8 Ca 0.09 2.08 -0.21 0.00 -1.03 0.00 0.00 54.13 55.06 3fjv s LEU 8 Cb 0.15 -4.57 -0.09 0.00 0.03 0.00 0.00 46.19 41.71 3fjv s LEU 8 CO 0.67 -1.18 0.79 -0.76 0.23 0.00 0.00 176.35 176.10 3fjv s LEU 9 N -3.91 4.30 1.01 1.79 1.43 -1.26 -5.08 118.68 116.95 3fjv s LEU 9 Ca 0.70 1.53 -0.11 0.00 -1.03 0.00 0.00 54.13 55.22 3fjv s LEU 9 Cb -0.21 -3.79 0.19 0.00 0.03 0.00 0.00 46.19 42.40 3fjv s LEU 9 CO 0.28 -0.03 1.03 0.35 0.23 0.00 0.00 176.35 178.21 3fjv n THR 10 N 0.51 0.00 -0.30 5.49 -2.24 -1.26 -4.73 114.28 111.75 3fjv n THR 10 Ca -0.00 -0.16 0.07 0.00 -2.27 0.00 0.00 64.05 61.68 3fjv n THR 10 Cb 0.51 -0.97 0.22 0.00 -2.10 0.00 0.00 70.33 67.99 3fjv n THR 10 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 3fjv h LEU 11 N -2.15 0.61 -0.28 3.22 3.38 -1.97 -1.22 115.31 116.91 3fjv h LEU 11 Ca -0.49 0.08 -0.06 0.00 0.09 0.00 0.00 57.88 57.49 3fjv h LEU 11 Cb 1.29 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 42.01 3fjv h LEU 11 CO 0.43 0.28 -0.06 -0.33 0.09 0.00 0.00 178.44 178.85 3fjv h GLU 12 N 0.70 0.53 -0.51 1.13 3.07 -1.99 -1.19 114.58 116.31 3fjv h GLU 12 Ca 0.46 -0.20 -0.08 0.00 -0.50 0.00 0.00 59.36 59.04 3fjv h GLU 12 Cb 0.59 -0.03 -0.02 0.00 -0.84 0.00 0.00 28.75 28.45 3fjv h GLU 12 CO -0.33 0.74 0.00 0.00 -1.40 0.00 0.00 179.01 178.02 3fjv h ALA 13 N 0.78 0.69 -0.35 3.43 0.00 -1.82 -2.82 119.26 119.17 3fjv h ALA 13 Ca 0.07 -0.29 -0.12 0.00 0.00 0.00 0.00 54.91 54.57 3fjv h ALA 13 Cb 0.54 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 3fjv h ALA 13 CO 0.03 0.50 -0.29 -0.92 0.00 0.00 0.00 179.25 178.57 3fjv h TYR 14 N 0.77 0.85 -0.31 0.00 3.20 -1.17 -2.90 116.97 117.41 3fjv h TYR 14 Ca 0.15 -0.21 -0.02 0.00 3.14 0.00 0.00 58.73 61.78 3fjv h TYR 14 Cb 0.52 -0.20 -0.02 0.00 1.54 0.00 0.00 36.73 38.58 3fjv h TYR 14 CO 0.04 0.94 0.09 0.00 -1.64 0.00 0.00 178.16 177.58 3fjv h ALA 15 N 1.05 1.57 -0.25 1.82 0.00 -1.09 0.30 119.26 122.66 3fjv h ALA 15 Ca 0.08 -0.12 -0.09 0.00 0.00 0.00 0.00 54.91 54.77 3fjv h ALA 15 Cb 0.80 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.44 3fjv h ALA 15 CO 0.07 0.33 -0.25 0.87 0.00 0.00 0.00 179.25 180.26 3fjv h LYS 16 N 0.44 0.48 -0.08 0.00 1.57 -1.30 -3.20 116.57 114.48 3fjv h LYS 16 Ca 0.11 -0.18 0.00 0.00 -1.87 0.00 0.00 60.65 58.71 3fjv h LYS 16 Cb 0.15 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.44 3fjv h LYS 16 CO -0.01 0.70 0.00 1.33 -0.57 0.00 0.00 179.45 180.90 3fjv n VAL 17 N -4.12 0.09 -0.19 0.50 0.24 -0.08 -4.71 118.33 110.06 3fjv n VAL 17 Ca -0.00 -0.55 -0.03 0.00 -2.04 0.00 0.00 64.34 61.72 3fjv n VAL 17 Cb 0.40 1.35 0.07 0.00 -1.47 0.00 0.00 33.84 34.20 3fjv n VAL 17 CO 0.00 0.00 0.00 -0.09 -2.14 0.00 0.00 176.83 174.60 3fjv h ARG 18 N 4.07 0.49 -0.36 7.34 2.43 -0.51 -0.64 114.38 127.21 3fjv h ARG 18 Ca 0.00 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.14 3fjv h ARG 18 Cb 0.88 -0.11 -0.02 0.00 -0.42 0.00 0.00 29.97 30.30 3fjv h ARG 18 CO 0.00 0.33 0.23 0.00 -1.51 0.00 0.00 179.97 179.02 3fjv h ARG 19 N 0.51 0.48 -0.51 0.20 3.08 -1.84 -1.37 114.38 114.93 3fjv h ARG 19 Ca 0.26 -0.04 -0.09 0.00 0.07 0.00 0.00 59.98 60.18 3fjv h ARG 19 Cb 0.20 -0.11 -0.02 0.00 0.08 0.00 0.00 29.97 30.12 3fjv h ARG 19 CO -0.20 0.34 -0.02 1.96 -1.07 0.00 0.00 179.97 180.98 3fjv h GLN 20 N 0.48 0.88 -0.56 0.04 4.20 -1.81 -3.04 115.11 115.31 3fjv h GLN 20 Ca 0.13 -0.26 -0.10 0.00 0.06 0.00 0.00 58.65 58.48 3fjv h GLN 20 Cb -0.03 -0.09 -0.02 0.00 0.30 0.00 0.00 27.48 27.64 3fjv h GLN 20 CO -0.03 0.89 -0.05 0.93 -0.67 0.00 0.00 178.83 179.90 3fjv h GLU 21 N 0.81 1.01 -0.29 1.46 4.39 -0.70 -1.10 114.58 120.16 3fjv h GLU 21 Ca 0.15 -0.34 0.06 0.00 0.34 0.00 0.00 59.36 59.57 3fjv h GLU 21 Cb 0.52 -0.08 -0.06 0.00 -0.10 0.00 0.00 28.75 29.03 3fjv h GLU 21 CO 0.03 1.03 -0.09 1.25 -1.16 0.00 0.00 179.01 180.07 3fjv h HIS 22 N 0.92 -0.20 -0.37 4.33 2.76 -1.20 -0.30 115.15 121.10 3fjv h HIS 22 Ca 0.15 0.03 -0.00 0.00 -2.20 0.00 0.00 60.37 58.35 3fjv h HIS 22 Cb 0.61 0.13 -0.02 0.00 1.55 0.00 0.00 27.41 29.68 3fjv h HIS 22 CO 0.04 -0.15 0.21 0.00 -1.30 0.00 0.00 177.93 176.74 3fjv h ALA 23 N 1.26 0.47 -0.52 5.26 0.00 -1.36 -1.02 119.26 123.35 3fjv h ALA 23 Ca 0.14 -0.06 -0.05 0.00 0.00 0.00 0.00 54.91 54.94 3fjv h ALA 23 Cb 0.24 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 3fjv h ALA 23 CO -0.31 -0.02 0.13 -0.09 0.00 0.00 0.00 179.25 178.95 3fjv h ARG 24 N 0.47 0.79 0.05 0.00 2.43 -0.96 -2.50 114.38 114.67 3fjv h ARG 24 Ca 0.13 -0.15 -0.24 0.00 -0.81 0.00 0.00 59.98 58.91 3fjv h ARG 24 Cb 0.03 -0.12 -0.00 0.00 -0.42 0.00 0.00 29.97 29.45 3fjv h ARG 24 CO -0.02 0.71 -1.04 -0.39 -1.51 0.00 0.00 179.97 177.71 3fjv h VAL 25 N 0.76 1.48 -0.52 0.20 -1.51 -0.75 -1.64 116.25 114.26 3fjv h VAL 25 Ca 0.17 -2.77 0.00 0.00 -1.23 0.00 0.00 66.70 62.87 3fjv h VAL 25 Cb 0.27 2.65 -0.03 0.00 -2.13 0.00 0.00 31.29 32.06 3fjv h VAL 25 CO -0.00 0.81 0.33 0.40 -1.23 0.00 0.00 177.57 177.88 3fjv h ILE 26 N 0.13 1.15 0.24 7.19 2.04 -1.08 0.19 117.51 127.36 3fjv h ILE 26 Ca -0.09 -0.30 -0.01 0.00 1.00 0.00 0.00 64.86 65.46 3fjv h ILE 26 Cb 1.72 0.41 0.00 0.00 -0.74 0.00 0.00 36.82 38.21 3fjv h ILE 26 CO 0.17 0.15 -0.11 0.00 0.00 0.00 0.00 178.15 178.35 3fjv h ALA 27 N 1.17 -0.32 -0.76 1.87 0.00 -1.43 -2.95 119.26 116.84 3fjv h ALA 27 Ca 0.19 -0.08 0.08 0.00 0.00 0.00 0.00 54.91 55.10 3fjv h ALA 27 Cb -0.05 0.12 -0.06 0.00 0.00 0.00 0.00 17.79 17.80 3fjv h ALA 27 CO -0.04 -0.67 0.44 1.25 0.00 0.00 0.00 179.25 180.23 3fjv h HIS 28 N -0.35 0.80 0.00 0.00 -0.00 -1.02 -2.46 115.15 112.12 3fjv h HIS 28 Ca -0.03 0.03 0.00 0.00 -0.00 0.00 0.00 60.37 60.36 3fjv h HIS 28 Cb 0.27 -0.24 0.00 0.00 -0.00 0.00 0.00 27.41 27.43 3fjv h HIS 28 CO -0.05 0.36 0.00 0.87 -0.00 0.00 0.00 177.93 179.10 3fjv h LYS 29 N 0.77 0.00 0.00 5.26 1.57 -0.45 -1.46 116.57 122.26 3fjv h LYS 29 Ca 0.35 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 59.12 3fjv h LYS 29 Cb 0.26 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.57 3fjv h LYS 29 CO -0.21 0.00 -0.07 0.87 -0.57 0.00 0.00 179.45 179.47 3fjv h LYS 30 N 0.00 0.00 -0.35 3.15 1.57 -1.34 -1.50 116.57 118.10 3fjv h LYS 30 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3fjv h LYS 30 Cb 0.23 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.54 3fjv h LYS 30 CO 0.00 0.07 0.00 0.54 -0.57 0.00 0.00 179.45 179.49 3fjv n ARG 31 N -3.46 2.20 0.00 3.15 1.74 -0.55 -4.37 116.66 115.37 3fjv n ARG 31 Ca -0.02 -1.82 0.00 0.00 -0.77 0.00 0.00 57.85 55.24 3fjv n ARG 31 Cb 0.20 -1.45 0.00 0.00 -1.02 0.00 0.00 32.46 30.19 3fjv n ARG 31 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 3fjv n ARG 32 N 1.02 3.37 -3.78 5.56 5.12 -0.62 -4.32 116.66 123.00 3fjv n ARG 32 Ca 0.18 0.00 -0.37 0.00 -1.93 0.00 0.00 57.85 55.73 3fjv n ARG 32 Cb 0.48 -0.65 -0.06 0.00 -1.16 0.00 0.00 32.46 31.07 3fjv n ARG 32 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 3fjv s ALA 33 N -1.20 3.83 0.01 7.54 0.00 -0.86 -1.27 121.76 129.79 3fjv s ALA 33 Ca 0.00 -0.53 0.01 0.00 0.00 0.00 0.00 51.96 51.44 3fjv s ALA 33 Cb 0.00 -2.08 -0.01 0.00 0.00 0.00 0.00 23.12 21.03 3fjv s ALA 33 CO 0.00 0.57 -0.05 0.14 0.00 0.00 0.00 175.76 176.43 3fjv s VAL 34 N -1.00 0.34 -0.04 0.00 -7.23 -0.37 -5.00 120.40 107.11 3fjv s VAL 34 Ca 0.17 -0.35 -0.04 0.00 -1.81 0.00 0.00 61.98 59.95 3fjv s VAL 34 Cb -0.13 -0.33 -0.04 0.00 0.56 0.00 0.00 36.38 36.44 3fjv s VAL 34 CO 0.06 -0.02 0.16 -0.44 -0.31 0.00 0.00 175.10 174.56 3fjv s SER 35 N -0.40 6.32 -0.31 4.85 0.01 -1.26 0.06 113.70 122.97 3fjv s SER 35 Ca -0.01 0.37 0.03 0.00 1.31 0.00 0.00 55.95 57.64 3fjv s SER 35 Cb -0.03 -1.99 0.09 0.00 0.21 0.00 0.00 66.02 64.29 3fjv s SER 35 CO -0.00 0.30 0.00 -0.63 0.41 0.00 0.00 173.24 173.33 3fjv s ILE 36 N -1.23 2.06 0.00 1.44 1.01 -0.62 -4.96 121.20 118.89 3fjv s ILE 36 Ca 0.23 -1.97 0.00 0.00 0.00 0.00 0.00 60.65 58.91 3fjv s ILE 36 Cb -0.12 -2.41 0.00 0.00 0.01 0.00 0.00 42.46 39.94 3fjv s ILE 36 CO 0.14 -0.41 0.00 0.61 0.00 0.00 0.00 174.94 175.28 3fjv n GLY 37 N 4.39 0.55 0.04 6.18 0.00 -1.26 -2.87 105.19 112.21 3fjv n GLY 37 Ca -0.03 -0.83 0.12 0.00 0.00 0.00 0.00 46.02 45.28 3fjv n GLY 37 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3fjv n ASN 38 N -2.23 0.59 0.00 1.61 3.02 -1.26 -4.42 115.26 112.56 3fjv n ASN 38 Ca 0.00 -0.02 0.00 0.00 -0.03 0.00 0.00 54.58 54.53 3fjv n ASN 38 Cb 0.00 0.20 0.00 0.00 -0.61 0.00 0.00 39.78 39.37 3fjv n ASN 38 CO 0.00 0.00 0.00 1.41 -2.62 0.00 0.00 177.26 176.05 3fjv n HIS 39 N -1.85 0.00 -5.23 3.10 8.25 -1.25 -4.81 115.22 113.43 3fjv n HIS 39 Ca 0.04 0.00 -0.31 0.00 -0.26 0.00 0.00 57.72 57.19 3fjv n HIS 39 Cb 0.40 0.00 -0.17 0.00 1.12 0.00 0.00 29.99 31.34 3fjv n HIS 39 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 3fjv s LEU 40 N -0.08 2.06 -0.12 2.41 1.43 -1.14 0.25 118.68 123.50 3fjv s LEU 40 Ca 0.00 -0.51 -0.01 0.00 -1.03 0.00 0.00 54.13 52.58 3fjv s LEU 40 Cb 0.00 -1.36 0.03 0.00 0.03 0.00 0.00 46.19 44.90 3fjv s LEU 40 CO 0.00 0.22 -0.04 -0.13 0.23 0.00 0.00 176.35 176.63 3fjv s ARG 41 N -0.02 1.14 -0.08 1.70 1.81 0.17 -1.60 118.95 122.08 3fjv s ARG 41 Ca -0.08 -0.20 -0.04 0.00 -1.72 0.00 0.00 55.73 53.69 3fjv s ARG 41 Cb -0.15 -1.52 -0.04 0.00 -0.45 0.00 0.00 34.95 32.80 3fjv s ARG 41 CO 0.05 -0.34 0.10 -0.51 -0.68 0.00 0.00 175.30 173.91 3fjv s LEU 42 N 1.79 4.08 -0.22 2.53 1.02 0.11 -0.48 118.68 127.52 3fjv s LEU 42 Ca 0.04 0.31 0.02 0.00 0.02 0.00 0.00 54.13 54.51 3fjv s LEU 42 Cb -0.13 -2.10 0.04 0.00 0.02 0.00 0.00 46.19 44.02 3fjv s LEU 42 CO -0.07 0.36 -0.15 -0.22 0.02 0.00 0.00 176.35 176.29 3fjv s LEU 43 N -1.21 2.72 -0.23 1.79 2.96 0.57 -1.23 118.68 124.04 3fjv s LEU 43 Ca 0.17 -0.95 -0.29 0.00 -0.22 0.00 0.00 54.13 52.84 3fjv s LEU 43 Cb -0.12 -1.52 0.00 0.00 0.50 0.00 0.00 46.19 45.05 3fjv s LEU 43 CO 0.07 -0.08 1.12 -0.36 -1.32 0.00 0.00 176.35 175.78 3fjv s PHE 44 N 1.22 3.13 0.26 5.38 0.08 -0.40 -1.10 117.98 126.55 3fjv s PHE 44 Ca -0.01 1.26 -0.16 0.00 0.12 0.00 0.00 56.93 58.15 3fjv s PHE 44 Cb -0.16 -3.43 -0.08 0.00 -0.57 0.00 0.00 43.02 38.78 3fjv s PHE 44 CO -0.09 -0.94 0.70 -1.21 -0.10 0.00 0.00 175.22 173.57 3fjv s GLU 45 N 3.41 4.08 0.19 0.44 0.41 0.38 -4.87 118.70 122.74 3fjv s GLU 45 Ca 0.48 0.69 -0.01 0.00 -0.41 0.00 0.00 54.97 55.72 3fjv s GLU 45 Cb -0.17 -2.67 0.00 0.00 -1.78 0.00 0.00 34.13 29.51 3fjv s GLU 45 CO 0.11 0.30 0.27 -0.40 -0.49 0.00 0.00 175.26 175.04 3fjv n ASP 46 N 0.20 -0.74 0.06 -0.19 5.68 -1.26 -4.52 116.55 115.78 3fjv n ASP 46 Ca 0.00 -2.02 0.01 0.00 -0.50 0.00 0.00 54.79 52.28 3fjv n ASP 46 Cb 0.52 1.38 0.33 0.00 -1.14 0.00 0.00 41.12 42.21 3fjv n ASP 46 CO 0.00 0.00 0.00 1.05 -1.33 0.00 0.00 177.20 176.92 3fjv h GLU 47 N 0.00 0.37 0.06 0.11 4.11 -1.98 -0.61 114.58 116.65 3fjv h GLU 47 Ca -0.15 -0.09 -0.00 0.00 0.07 0.00 0.00 59.36 59.19 3fjv h GLU 47 Cb 0.64 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.84 3fjv h GLU 47 CO 0.20 0.48 -0.03 1.15 0.07 0.00 0.00 179.01 180.88 3fjv h THR 48 N 0.35 0.97 -0.26 -1.06 2.02 -1.99 0.28 112.91 113.22 3fjv h THR 48 Ca 0.07 -0.11 -0.13 0.00 0.77 0.00 0.00 66.41 67.01 3fjv h THR 48 Cb 0.39 1.05 -0.01 0.00 -1.74 0.00 0.00 68.15 67.83 3fjv h THR 48 CO 0.02 0.03 -0.37 0.71 0.37 0.00 0.00 175.52 176.28 3fjv h THR 49 N -0.13 1.29 -0.04 3.16 1.35 -1.90 -2.52 112.91 114.13 3fjv h THR 49 Ca -0.01 -1.52 -0.21 0.00 -0.55 0.00 0.00 66.41 64.12 3fjv h THR 49 Cb 0.11 1.49 0.01 0.00 -1.73 0.00 0.00 68.15 68.04 3fjv h THR 49 CO 0.01 0.48 -0.78 0.40 -0.25 0.00 0.00 175.52 175.38 3fjv h ILE 50 N 0.50 1.34 -0.82 6.82 2.04 -1.09 -2.08 117.51 124.22 3fjv h ILE 50 Ca 0.05 -2.09 0.02 0.00 1.00 0.00 0.00 64.86 63.83 3fjv h ILE 50 Cb 0.87 2.37 -0.04 0.00 -0.74 0.00 0.00 36.82 39.28 3fjv h ILE 50 CO 0.08 0.63 0.54 -0.09 0.00 0.00 0.00 178.15 179.31 3fjv h ARG 51 N 0.21 1.06 -0.65 2.37 2.43 -0.98 -1.26 114.38 117.56 3fjv h ARG 51 Ca -0.09 -0.06 0.01 0.00 -0.81 0.00 0.00 59.98 59.02 3fjv h ARG 51 Cb 1.45 -0.24 -0.03 0.00 -0.42 0.00 0.00 29.97 30.73 3fjv h ARG 51 CO 0.16 0.70 0.43 -0.92 -1.51 0.00 0.00 179.97 178.82 3fjv h TYR 52 N 1.09 0.81 -0.46 2.20 3.20 -1.41 -1.33 116.97 121.07 3fjv h TYR 52 Ca 0.31 0.02 -0.05 0.00 3.14 0.00 0.00 58.73 62.15 3fjv h TYR 52 Cb -0.09 -0.28 -0.02 0.00 1.54 0.00 0.00 36.73 37.89 3fjv h TYR 52 CO -0.02 0.52 0.11 0.37 -1.64 0.00 0.00 178.16 177.50 3fjv h GLN 53 N 0.88 0.73 -0.02 1.82 5.75 -0.94 -0.97 115.11 122.37 3fjv h GLN 53 Ca 0.24 -0.18 0.00 0.00 -0.15 0.00 0.00 58.65 58.56 3fjv h GLN 53 Cb -0.10 -0.10 -0.00 0.00 1.07 0.00 0.00 27.48 28.35 3fjv h GLN 53 CO -0.05 0.73 -0.00 0.82 -2.65 0.00 0.00 178.83 177.68 3fjv h ILE 54 N 0.61 0.98 -0.39 2.39 2.04 -1.00 -2.89 117.51 119.25 3fjv h ILE 54 Ca 0.14 -0.00 -0.02 0.00 1.00 0.00 0.00 64.86 65.98 3fjv h ILE 54 Cb 0.33 0.98 -0.02 0.00 -0.74 0.00 0.00 36.82 37.37 3fjv h ILE 54 CO 0.00 0.00 0.13 0.45 0.00 0.00 0.00 178.15 178.74 3fjv h HIS 55 N 0.00 0.55 0.00 1.37 3.86 -1.09 -0.22 115.15 119.63 3fjv h HIS 55 Ca 0.01 -0.02 0.00 0.00 -1.16 0.00 0.00 60.37 59.20 3fjv h HIS 55 Cb 0.01 -0.17 0.00 0.00 1.06 0.00 0.00 27.41 28.31 3fjv h HIS 55 CO -0.09 0.45 0.00 0.39 0.86 0.00 0.00 177.93 179.54 3fjv n GLU 56 N -4.37 0.36 0.00 2.45 -0.58 -0.38 -0.96 120.64 117.16 3fjv n GLU 56 Ca 0.02 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.76 3fjv n GLU 56 Cb 0.16 -1.19 0.00 0.00 -0.57 0.00 0.00 31.44 29.84 3fjv n GLU 56 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 3fjv n LEU 58 N 0.33 0.00 0.16 -4.62 4.77 -0.09 -1.36 117.00 116.20 3fjv n LEU 58 Ca 0.00 0.00 -0.14 0.00 -0.03 0.00 0.00 56.01 55.84 3fjv n LEU 58 Cb 0.09 0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.10 3fjv n LEU 58 CO 0.00 0.00 0.67 -0.74 -1.33 0.00 0.00 177.39 175.99 3fjv h HIS 59 N 0.00 -0.35 -0.46 -1.77 2.76 -1.29 0.34 115.15 114.37 3fjv h HIS 59 Ca 0.00 -0.01 -0.09 0.00 -2.20 0.00 0.00 60.37 58.07 3fjv h HIS 59 Cb 0.00 0.12 -0.02 0.00 1.55 0.00 0.00 27.41 29.06 3fjv h HIS 59 CO 0.00 -0.10 -0.07 0.97 -1.30 0.00 0.00 177.93 177.43 3fjv h ILE 60 N -0.56 1.25 -0.07 6.26 6.09 -1.47 -2.09 117.51 126.92 3fjv h ILE 60 Ca -0.04 -1.12 0.00 0.00 -1.37 0.00 0.00 64.86 62.33 3fjv h ILE 60 Cb 0.41 0.97 0.00 0.00 0.47 0.00 0.00 36.82 38.67 3fjv h ILE 60 CO 0.06 0.39 0.00 -0.62 -3.07 0.00 0.00 178.15 174.91 3fjv n GLU 61 N -4.18 1.86 -3.60 2.19 -0.58 -1.22 -4.97 120.64 110.13 3fjv n GLU 61 Ca 0.02 -1.26 -0.21 0.00 -0.42 0.00 0.00 57.16 55.29 3fjv n GLU 61 Cb 0.34 -1.46 0.05 0.00 -0.57 0.00 0.00 31.44 29.80 3fjv n GLU 61 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 3fjv n LYS 62 N 0.51 -4.60 -3.35 3.49 5.02 -0.00 -4.94 118.16 114.30 3fjv n LYS 62 Ca 0.18 0.67 -0.40 0.00 -2.02 0.00 0.00 58.31 56.74 3fjv n LYS 62 Cb 0.41 -5.27 -0.09 0.00 -0.02 0.00 0.00 35.03 30.06 3fjv n LYS 62 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 3fjv s ILE 63 N -3.57 5.13 0.00 -0.18 1.01 -0.54 -4.87 121.20 118.18 3fjv s ILE 63 Ca 0.09 0.48 0.00 0.00 0.00 0.00 0.00 60.65 61.22 3fjv s ILE 63 Cb -0.02 -3.78 0.00 0.00 0.01 0.00 0.00 42.46 38.66 3fjv s ILE 63 CO 0.79 0.04 0.49 2.22 0.00 0.00 0.00 174.94 178.48 3fjv n PHE 64 N 5.44 0.00 -3.30 3.97 1.16 -1.26 -4.84 117.46 118.63 3fjv n PHE 64 Ca -0.07 -0.10 -0.34 0.00 -1.87 0.00 0.00 57.45 55.07 3fjv n PHE 64 Cb 0.50 -0.01 -0.06 0.00 -1.61 0.00 0.00 39.48 38.30 3fjv n PHE 64 CO 0.00 0.00 0.00 0.16 -1.87 0.00 0.00 176.76 175.05 3fjv s ASP 65 N -0.20 6.79 0.13 5.98 -4.77 -1.26 -4.98 116.67 118.36 3fjv s ASP 65 Ca 0.00 1.11 -0.19 0.00 -3.30 0.00 0.00 52.55 50.17 3fjv s ASP 65 Cb 0.00 -2.30 -0.04 0.00 -1.09 0.00 0.00 42.92 39.49 3fjv s ASP 65 CO 0.00 -0.01 1.75 -0.08 0.70 0.00 0.00 175.17 177.53 3fjv h GLU 66 N 3.01 0.19 -0.32 2.11 4.57 -1.99 -1.10 114.58 121.06 3fjv h GLU 66 Ca -0.48 -0.01 0.01 0.00 -1.18 0.00 0.00 59.36 57.70 3fjv h GLU 66 Cb 1.18 -0.04 -0.02 0.00 -0.16 0.00 0.00 28.75 29.71 3fjv h GLU 66 CO 0.67 0.12 0.19 -0.44 -1.18 0.00 0.00 179.01 178.37 3fjv h ASP 67 N 0.19 0.31 -0.86 1.04 3.32 -1.98 0.35 116.42 118.79 3fjv h ASP 67 Ca 0.09 0.00 0.03 0.00 0.02 0.00 0.00 57.03 57.17 3fjv h ASP 67 Cb 0.05 -0.07 -0.05 0.00 0.22 0.00 0.00 39.33 39.48 3fjv h ASP 67 CO -0.08 0.23 0.56 1.23 -1.72 0.00 0.00 179.24 179.46 3fjv h GLY 68 N 0.39 1.25 0.77 2.75 0.00 -1.92 0.18 103.07 106.49 3fjv h GLY 68 Ca 0.12 -0.43 -0.05 0.00 0.00 0.00 0.00 47.33 46.97 3fjv h GLY 68 CO -0.05 0.39 -0.08 -2.22 0.00 0.00 0.00 176.54 174.58 3fjv h ILE 69 N 1.11 1.31 -0.35 2.60 2.04 -0.80 -2.40 117.51 121.02 3fjv h ILE 69 Ca 0.34 -1.11 -0.06 0.00 1.00 0.00 0.00 64.86 65.03 3fjv h ILE 69 Cb -0.04 1.68 -0.02 0.00 -0.74 0.00 0.00 36.82 37.71 3fjv h ILE 69 CO -0.10 0.33 -0.02 -0.61 0.00 0.00 0.00 178.15 177.75 3fjv h GLN 70 N 0.03 0.55 -0.56 2.37 5.75 -0.72 -2.54 115.11 120.00 3fjv h GLN 70 Ca 0.04 -0.13 -0.02 0.00 -0.15 0.00 0.00 58.65 58.39 3fjv h GLN 70 Cb 0.55 -0.08 -0.03 0.00 1.07 0.00 0.00 27.48 29.00 3fjv h GLN 70 CO 0.02 0.59 0.27 0.00 -2.65 0.00 0.00 178.83 177.06 3fjv h ALA 71 N 1.46 0.72 -0.55 3.38 0.00 -0.51 -0.79 119.26 122.97 3fjv h ALA 71 Ca 0.11 -0.13 -0.06 0.00 0.00 0.00 0.00 54.91 54.83 3fjv h ALA 71 Cb 0.37 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 3fjv h ALA 71 CO 0.01 0.28 0.10 0.93 0.00 0.00 0.00 179.25 180.58 3fjv h GLU 72 N 0.76 0.88 -0.08 0.00 4.39 -1.05 -1.56 114.58 117.91 3fjv h GLU 72 Ca 0.19 -0.20 -0.01 0.00 0.34 0.00 0.00 59.36 59.68 3fjv h GLU 72 Cb 0.12 -0.12 -0.00 0.00 -0.10 0.00 0.00 28.75 28.64 3fjv h GLU 72 CO -0.02 0.81 0.00 1.25 -1.16 0.00 0.00 179.01 179.89 3fjv h LEU 73 N 0.83 0.14 -1.10 1.33 5.85 -1.28 -2.93 115.31 118.16 3fjv h LEU 73 Ca 0.18 -0.31 0.12 0.00 0.84 0.00 0.00 57.88 58.71 3fjv h LEU 73 Cb 0.35 -0.04 -0.08 0.00 0.37 0.00 0.00 40.66 41.27 3fjv h LEU 73 CO 0.01 0.41 0.61 0.44 -0.34 0.00 0.00 178.44 179.57 3fjv h ASP 74 N -0.13 0.85 -0.47 1.25 3.32 -0.93 -0.37 116.42 119.94 3fjv h ASP 74 Ca 0.02 0.04 -0.05 0.00 0.02 0.00 0.00 57.03 57.06 3fjv h ASP 74 Cb 0.34 -0.13 -0.02 0.00 0.22 0.00 0.00 39.33 39.74 3fjv h ASP 74 CO 0.00 0.46 0.11 0.00 -1.72 0.00 0.00 179.24 178.10 3fjv h ALA 75 N 1.55 1.20 0.00 3.45 0.00 -1.11 -3.31 119.26 121.04 3fjv h ALA 75 Ca 0.47 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 55.17 3fjv h ALA 75 Cb 0.52 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.10 3fjv h ALA 75 CO -0.24 0.54 -1.67 0.66 0.00 0.00 0.00 179.25 178.55 3fjv n TYR 76 N -4.27 0.00 -0.23 0.00 4.01 -0.90 -4.53 117.16 111.24 3fjv n TYR 76 Ca 0.04 0.00 0.13 0.00 -0.16 0.00 0.00 57.90 57.91 3fjv n TYR 76 Cb 0.23 -0.35 0.42 0.00 -0.31 0.00 0.00 39.34 39.34 3fjv n TYR 76 CO 0.00 0.00 0.00 1.25 -0.46 0.00 0.00 176.86 177.65 3fjv h LEU 77 N 0.00 0.56 -2.35 7.72 5.85 -1.17 -0.78 115.31 125.15 3fjv h LEU 77 Ca 0.00 0.03 0.03 0.00 0.84 0.00 0.00 57.88 58.78 3fjv h LEU 77 Cb 0.74 -0.08 -0.00 0.00 0.37 0.00 0.00 40.66 41.69 3fjv h LEU 77 CO 0.00 0.29 0.16 -0.65 -0.34 0.00 0.00 178.44 177.90 3fjv h PRO 78 N 0.60 0.00 0.00 5.25 0.11 -1.80 -2.31 132.00 133.84 3fjv h PRO 78 Ca 0.42 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.53 3fjv h PRO 78 Cb 0.75 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.86 3fjv h PRO 78 CO -0.17 0.00 0.00 1.28 -0.21 0.00 0.00 178.00 178.90 3fjv n LEU 79 N -3.61 0.00 -4.67 2.35 4.32 -0.30 -4.78 117.00 110.31 3fjv n LEU 79 Ca -0.00 0.43 -0.43 0.00 -0.02 0.00 0.00 56.01 55.99 3fjv n LEU 79 Cb 0.26 -0.43 -0.02 0.00 -1.62 0.00 0.00 43.42 41.61 3fjv n LEU 79 CO 0.25 -0.02 0.84 -0.69 -1.22 0.00 0.00 177.39 176.54 3fjv s VAL 80 N -2.86 4.74 0.41 4.08 1.01 -0.87 -4.62 120.40 122.29 3fjv s VAL 80 Ca 0.18 2.00 -0.24 0.00 0.00 0.00 0.00 61.98 63.92 3fjv s VAL 80 Cb 0.18 -4.30 -0.11 0.00 0.00 0.00 0.00 36.38 32.15 3fjv s VAL 80 CO 0.48 -0.08 0.83 -2.65 0.00 0.00 0.00 175.10 173.68 3fjv n PRO 81 N 5.65 1.02 0.00 2.72 -0.02 -1.26 -4.92 135.00 138.19 3fjv n PRO 81 Ca 0.10 0.37 0.12 0.00 -2.02 0.00 0.00 63.50 62.07 3fjv n PRO 81 Cb 0.47 -1.81 0.22 0.00 -0.02 0.00 0.00 33.50 32.36 3fjv n PRO 81 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 3fjv n ASP 82 N 0.83 1.27 0.00 2.55 8.00 -1.26 -4.97 116.55 122.97 3fjv n ASP 82 Ca 0.11 -1.02 0.00 0.00 0.71 0.00 0.00 54.79 54.59 3fjv n ASP 82 Cb 0.39 0.31 0.00 0.00 -0.02 0.00 0.00 41.12 41.80 3fjv n ASP 82 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3fjv n GLY 83 N 1.39 3.69 0.40 0.44 0.00 -1.26 -4.91 105.19 104.94 3fjv n GLY 83 Ca 0.10 -1.01 0.08 0.00 0.00 0.00 0.00 46.02 45.19 3fjv n GLY 83 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3fjv n SER 84 N 0.00 2.37 -3.94 1.61 7.64 -1.26 0.34 113.62 120.37 3fjv n SER 84 Ca 0.00 -3.36 -0.09 0.00 1.01 0.00 0.00 58.87 56.43 3fjv n SER 84 Cb 0.00 -0.49 -0.08 0.00 -1.01 0.00 0.00 64.21 62.64 3fjv n SER 84 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 3fjv s ASN 85 N -2.84 0.15 0.02 6.43 2.20 -1.26 -1.30 114.94 118.33 3fjv s ASN 85 Ca 0.36 -0.80 0.08 0.00 -0.94 0.00 0.00 52.86 51.55 3fjv s ASN 85 Cb 0.32 0.35 -0.02 0.00 -2.00 0.00 0.00 41.25 39.90 3fjv s ASN 85 CO 0.01 -0.77 -0.24 -0.76 -2.94 0.00 0.00 177.10 172.40 3fjv s LEU 86 N -2.92 2.11 -0.04 3.54 1.43 -0.41 -4.57 118.68 117.82 3fjv s LEU 86 Ca 0.11 -0.51 0.02 0.00 -1.03 0.00 0.00 54.13 52.72 3fjv s LEU 86 Cb 0.05 -1.20 0.01 0.00 0.03 0.00 0.00 46.19 45.08 3fjv s LEU 86 CO -0.06 0.26 -0.07 -0.54 0.23 0.00 0.00 176.35 176.16 3fjv s LYS 87 N -0.93 0.97 0.02 1.70 1.02 -1.26 -0.18 119.74 121.08 3fjv s LYS 87 Ca 0.10 -0.20 0.01 0.00 0.02 0.00 0.00 55.97 55.89 3fjv s LYS 87 Cb -0.09 -0.91 -0.01 0.00 -0.52 0.00 0.00 37.83 36.30 3fjv s LYS 87 CO 0.01 -0.01 -0.04 0.00 -0.92 0.00 0.00 175.35 174.39 3fjv s ALA 88 N 0.64 0.29 -0.06 5.17 0.00 -0.39 -0.47 121.76 126.95 3fjv s ALA 88 Ca -0.10 -0.43 -0.09 0.00 0.00 0.00 0.00 51.96 51.34 3fjv s ALA 88 Cb -0.13 0.03 -0.05 0.00 0.00 0.00 0.00 23.12 22.98 3fjv s ALA 88 CO 0.01 -0.03 0.24 0.95 0.00 0.00 0.00 175.76 176.93 3fjv s THR 89 N -0.83 5.33 -0.13 0.00 -4.23 -0.26 -0.18 115.64 115.34 3fjv s THR 89 Ca -0.07 0.36 -0.01 0.00 -1.18 0.00 0.00 61.69 60.80 3fjv s THR 89 Cb -0.06 -3.53 -0.02 0.00 1.34 0.00 0.00 72.50 70.23 3fjv s THR 89 CO -0.00 0.54 -0.10 -0.22 -0.54 0.00 0.00 174.62 174.30 3fjv s LEU 90 N -1.23 2.89 0.04 4.79 2.96 -1.26 -0.31 118.68 126.55 3fjv s LEU 90 Ca 0.21 -0.24 0.08 0.00 -0.22 0.00 0.00 54.13 53.96 3fjv s LEU 90 Cb -0.14 -1.66 -0.03 0.00 0.50 0.00 0.00 46.19 44.87 3fjv s LEU 90 CO 0.10 0.20 -0.23 -1.10 -1.32 0.00 0.00 176.35 173.99 3fjv s GLN 91 N 0.18 1.92 -0.18 1.98 -0.21 0.37 -4.98 119.66 118.73 3fjv s GLN 91 Ca -0.06 -1.05 -0.06 0.00 0.02 0.00 0.00 55.36 54.22 3fjv s GLN 91 Cb -0.15 -2.06 -0.03 0.00 1.00 0.00 0.00 33.01 31.77 3fjv s GLN 91 CO 0.04 0.53 0.02 0.42 -2.12 0.00 0.00 175.29 174.18 3fjv s ILE 92 N -0.84 4.34 -0.03 1.08 1.01 -1.26 -0.66 121.20 124.85 3fjv s ILE 92 Ca 0.13 -0.19 0.00 0.00 0.00 0.00 0.00 60.65 60.59 3fjv s ILE 92 Cb -0.10 -2.94 0.03 0.00 0.01 0.00 0.00 42.46 39.45 3fjv s ILE 92 CO 0.03 0.46 0.01 -0.70 0.00 0.00 0.00 174.94 174.74 3fjv s GLU 93 N 0.53 0.27 0.45 2.79 2.12 0.14 -5.00 118.70 120.00 3fjv s GLU 93 Ca 0.00 0.11 0.03 0.00 0.36 0.00 0.00 54.97 55.47 3fjv s GLU 93 Cb -0.13 -0.50 -0.03 0.00 0.26 0.00 0.00 34.13 33.72 3fjv s GLU 93 CO 0.02 -0.16 0.04 0.71 -0.54 0.00 0.00 175.26 175.33 3fjv s TYR 94 N 1.16 1.97 0.47 5.30 1.51 -1.26 -4.18 117.35 122.32 3fjv s TYR 94 Ca -0.08 -0.99 0.12 0.00 -1.01 0.00 0.00 57.07 55.11 3fjv s TYR 94 Cb -0.13 -1.49 1.08 0.00 -0.11 0.00 0.00 41.96 41.31 3fjv s TYR 94 CO -0.02 0.11 2.11 1.49 -1.11 0.00 0.00 175.55 178.12 3fjv h GLU 95 N 1.61 0.24 -4.48 -0.62 4.81 -1.97 -3.43 114.58 110.74 3fjv h GLU 95 Ca -0.41 -0.02 -0.34 0.00 -0.13 0.00 0.00 59.36 58.46 3fjv h GLU 95 Cb 1.28 -0.05 -0.11 0.00 0.63 0.00 0.00 28.75 30.50 3fjv h GLU 95 CO 0.70 0.16 -0.37 0.54 -0.73 0.00 0.00 179.01 179.31 3fjv s ASN 96 N -6.90 1.04 0.29 1.04 2.20 -1.26 -5.07 114.94 106.29 3fjv s ASN 96 Ca -0.06 -1.55 0.15 0.00 -0.94 0.00 0.00 52.86 50.46 3fjv s ASN 96 Cb 0.17 0.57 0.27 0.00 -2.00 0.00 0.00 41.25 40.27 3fjv s ASN 96 CO 0.70 -1.12 1.54 -0.33 -2.94 0.00 0.00 177.10 174.94 3fjv h GLU 97 N 2.21 0.00 -0.15 3.55 4.39 -2.00 -2.53 114.58 120.05 3fjv h GLU 97 Ca -0.28 0.00 -0.17 0.00 0.34 0.00 0.00 59.36 59.25 3fjv h GLU 97 Cb 1.24 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.88 3fjv h GLU 97 CO 0.40 0.54 -0.62 1.79 -1.16 0.00 0.00 179.01 179.96 3fjv h THR 98 N 0.00 1.34 -0.49 1.13 1.35 -1.97 -1.68 112.91 112.58 3fjv h THR 98 Ca -0.01 -1.92 -0.12 0.00 -0.55 0.00 0.00 66.41 63.81 3fjv h THR 98 Cb 1.24 1.90 -0.01 0.00 -1.73 0.00 0.00 68.15 69.55 3fjv h THR 98 CO 0.07 0.59 -0.18 1.56 -0.25 0.00 0.00 175.52 177.31 3fjv h GLN 99 N 0.38 0.99 -0.42 4.72 4.20 -1.94 -1.59 115.11 121.45 3fjv h GLN 99 Ca -0.01 -0.41 0.07 0.00 0.06 0.00 0.00 58.65 58.36 3fjv h GLN 99 Cb 1.18 -0.04 -0.06 0.00 0.30 0.00 0.00 27.48 28.86 3fjv h GLN 99 CO 0.11 1.08 0.08 -0.09 -0.67 0.00 0.00 178.83 179.35 3fjv h ARG 100 N 0.85 0.20 -0.30 1.46 2.43 -1.31 -1.60 114.38 116.11 3fjv h ARG 100 Ca 0.12 -0.01 -0.07 0.00 -0.81 0.00 0.00 59.98 59.21 3fjv h ARG 100 Cb 0.75 -0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 30.24 3fjv h ARG 100 CO 0.06 0.13 -0.10 -0.09 -1.51 0.00 0.00 179.97 178.46 3fjv h ARG 101 N 0.21 0.50 0.00 0.20 9.65 -0.95 -1.60 114.38 122.39 3fjv h ARG 101 Ca 0.20 -0.14 0.00 0.00 -1.10 0.00 0.00 59.98 58.95 3fjv h ARG 101 Cb 0.25 -0.06 0.00 0.00 -1.39 0.00 0.00 29.97 28.78 3fjv h ARG 101 CO -0.27 0.61 0.00 0.00 2.80 0.00 0.00 179.97 183.10 3fjv h ALA 102 N 1.43 1.00 0.00 2.80 0.00 -0.66 -3.13 119.26 120.70 3fjv h ALA 102 Ca 0.09 0.00 -0.05 0.00 0.00 0.00 0.00 54.91 54.94 3fjv h ALA 102 Cb 0.46 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 3fjv h ALA 102 CO 0.03 0.00 -1.33 0.00 0.00 0.00 0.00 179.25 177.95 3fjv n ALA 103 N -2.04 2.39 -0.33 0.00 0.00 -0.62 -4.67 120.51 115.24 3fjv n ALA 103 Ca -0.00 -0.40 -0.01 0.00 0.00 0.00 0.00 53.44 53.03 3fjv n ALA 103 Cb 0.24 -0.98 0.11 0.00 0.00 0.00 0.00 19.45 18.83 3fjv n ALA 103 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 3fjv h LEU 104 N 0.00 0.98 -0.75 0.00 3.38 -1.45 -2.14 115.31 115.33 3fjv h LEU 104 Ca -0.06 -0.01 -0.03 0.00 0.09 0.00 0.00 57.88 57.87 3fjv h LEU 104 Cb 1.19 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 41.68 3fjv h LEU 104 CO 0.01 0.67 0.34 0.00 0.09 0.00 0.00 178.44 179.56 3fjv h ALA 105 N 1.36 0.97 0.00 1.53 0.00 -1.83 -1.98 119.26 119.32 3fjv h ALA 105 Ca 0.35 -0.17 -0.04 0.00 0.00 0.00 0.00 54.91 55.05 3fjv h ALA 105 Cb -0.02 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.47 3fjv h ALA 105 CO -0.11 0.56 -0.20 0.00 0.00 0.00 0.00 179.25 179.50 3fjv h ARG 106 N 1.07 0.00 -0.52 0.00 3.08 -1.71 -3.16 114.38 113.14 3fjv h ARG 106 Ca 0.26 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.31 3fjv h ARG 106 Cb 0.16 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.21 3fjv h ARG 106 CO -0.03 0.20 0.00 1.28 -1.07 0.00 0.00 179.97 180.36 3fjv n LEU 107 N -3.63 2.99 -4.71 3.04 4.77 -0.76 -4.72 117.00 113.98 3fjv n LEU 107 Ca -0.01 -1.45 -0.43 0.00 -0.03 0.00 0.00 56.01 54.08 3fjv n LEU 107 Cb 0.33 -0.34 -0.03 0.00 -2.33 0.00 0.00 43.42 41.05 3fjv n LEU 107 CO 0.33 0.73 1.28 0.52 -1.33 0.00 0.00 177.39 178.91 3fjv n VAL 108 N 1.14 0.30 -0.57 4.08 0.31 -1.12 -1.57 118.33 120.90 3fjv n VAL 108 Ca 0.19 -0.08 0.00 0.00 -0.01 0.00 0.00 64.34 64.44 3fjv n VAL 108 Cb 0.48 -1.84 0.00 0.00 -0.91 0.00 0.00 33.84 31.58 3fjv n VAL 108 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3fjv n GLY 109 N 3.30 0.78 0.41 2.92 0.00 -1.26 -4.94 105.19 106.41 3fjv n GLY 109 Ca 0.14 0.00 0.21 0.00 0.00 0.00 0.00 46.02 46.38 3fjv n GLY 109 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 3fjv h ILE 110 N 0.00 0.66 -0.89 -0.61 6.09 -1.67 -2.69 117.51 118.39 3fjv h ILE 110 Ca 0.00 -0.09 -0.02 0.00 -1.37 0.00 0.00 64.86 63.39 3fjv h ILE 110 Cb 0.00 0.38 -0.04 0.00 0.47 0.00 0.00 36.82 37.63 3fjv h ILE 110 CO 0.00 0.05 0.50 -0.33 -3.07 0.00 0.00 178.15 175.29 3fjv h GLU 111 N 0.26 1.24 0.00 2.19 3.07 -1.92 -2.15 114.58 117.27 3fjv h GLU 111 Ca 0.43 -0.14 0.00 0.00 -0.50 0.00 0.00 59.36 59.15 3fjv h GLU 111 Cb 1.27 -0.25 0.00 0.00 -0.84 0.00 0.00 28.75 28.93 3fjv h GLU 111 CO -0.11 0.90 0.00 -0.25 -1.40 0.00 0.00 179.01 178.15 3fjv n ASP 112 N -4.35 0.05 -0.65 1.42 8.00 -1.01 -3.16 116.55 116.84 3fjv n ASP 112 Ca 0.09 0.51 0.07 0.00 0.71 0.00 0.00 54.79 56.17 3fjv n ASP 112 Cb 0.09 -0.52 0.10 0.00 -0.02 0.00 0.00 41.12 40.77 3fjv n ASP 112 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 3fjv n ARG 113 N -1.55 1.59 -2.99 -1.24 5.12 -0.81 -4.60 116.66 112.18 3fjv n ARG 113 Ca 0.05 -1.63 -0.40 0.00 -1.93 0.00 0.00 57.85 53.94 3fjv n ARG 113 Cb 0.24 -1.29 -0.04 0.00 -1.16 0.00 0.00 32.46 30.20 3fjv n ARG 113 CO 0.00 0.00 0.00 0.08 -1.93 0.00 0.00 177.63 175.78 3fjv s VAL 114 N -1.12 5.00 0.08 1.55 1.01 -1.19 -2.06 120.40 123.68 3fjv s VAL 114 Ca 0.21 1.54 0.05 0.00 0.00 0.00 0.00 61.98 63.78 3fjv s VAL 114 Cb 0.13 -4.08 -0.03 0.00 0.00 0.00 0.00 36.38 32.39 3fjv s VAL 114 CO 0.18 0.20 -0.14 0.72 0.00 0.00 0.00 175.10 176.07 3fjv s PHE 115 N 1.06 1.23 0.20 5.22 -0.71 -0.62 -1.77 117.98 122.58 3fjv s PHE 115 Ca 0.39 -0.50 0.07 0.00 -1.04 0.00 0.00 56.93 55.85 3fjv s PHE 115 Cb -0.18 -0.68 -0.04 0.00 -1.21 0.00 0.00 43.02 40.91 3fjv s PHE 115 CO 0.18 0.07 0.08 -0.51 -1.34 0.00 0.00 175.22 173.69 3fjv s LEU 116 N -1.95 3.54 -0.04 -1.99 1.43 0.04 -1.64 118.68 118.07 3fjv s LEU 116 Ca 0.01 -0.32 -0.02 0.00 -1.03 0.00 0.00 54.13 52.77 3fjv s LEU 116 Cb -0.08 -2.14 0.03 0.00 0.03 0.00 0.00 46.19 44.03 3fjv s LEU 116 CO 0.02 0.05 0.05 -0.60 0.23 0.00 0.00 176.35 176.10 3fjv s ARG 117 N -3.25 0.01 -0.27 1.70 3.52 0.04 -0.64 118.95 120.06 3fjv s ARG 117 Ca 0.30 0.33 -0.19 0.00 -0.13 0.00 0.00 55.73 56.04 3fjv s ARG 117 Cb -0.09 -0.55 -0.02 0.00 -1.56 0.00 0.00 34.95 32.73 3fjv s ARG 117 CO 0.21 -0.31 0.56 0.08 -0.81 0.00 0.00 175.30 175.03 3fjv s VAL 118 N 2.07 5.03 0.00 7.11 1.01 -1.26 -1.43 120.40 132.92 3fjv s VAL 118 Ca 0.04 0.94 0.00 0.00 0.00 0.00 0.00 61.98 62.96 3fjv s VAL 118 Cb -0.12 -3.88 0.00 0.00 0.00 0.00 0.00 36.38 32.38 3fjv s VAL 118 CO -0.03 0.04 0.00 -0.67 0.00 0.00 0.00 175.10 174.43 3fjv n ASP 119 N 5.63 0.00 -0.87 3.32 -0.08 0.42 -0.37 116.55 124.60 3fjv n ASP 119 Ca -0.03 0.00 0.04 0.00 -1.51 0.00 0.00 54.79 53.29 3fjv n ASP 119 Cb 0.49 0.00 0.22 0.00 2.34 0.00 0.00 41.12 44.18 3fjv n ASP 119 CO 0.00 0.00 0.00 -0.67 0.12 0.00 0.00 177.20 176.65 3fjv n ASP 120 N 3.70 3.15 -4.63 1.67 2.03 -1.26 -4.97 116.55 116.24 3fjv n ASP 120 Ca 0.00 -3.31 -0.29 0.00 0.52 0.00 0.00 54.79 51.71 3fjv n ASP 120 Cb 0.00 -0.56 0.18 0.00 -0.72 0.00 0.00 41.12 40.02 3fjv n ASP 120 CO 0.00 0.00 0.00 -1.61 -1.92 0.00 0.00 177.20 173.67 3fjv s GLU 121 N -2.99 0.23 0.49 -0.67 0.41 0.51 -5.00 118.70 111.68 3fjv s GLU 121 Ca 0.42 0.45 -0.23 0.00 -0.41 0.00 0.00 54.97 55.20 3fjv s GLU 121 Cb 0.36 -1.72 -0.06 0.00 -1.78 0.00 0.00 34.13 30.92 3fjv s GLU 121 CO 0.05 -2.85 1.34 0.00 -0.49 0.00 0.00 175.26 173.30 3fjv s ALA 122 N -2.97 2.99 0.62 5.21 0.00 -1.26 -4.65 121.76 121.71 3fjv s ALA 122 Ca 0.66 1.29 -0.18 0.00 0.00 0.00 0.00 51.96 53.73 3fjv s ALA 122 Cb -0.18 -3.54 -0.02 0.00 0.00 0.00 0.00 23.12 19.38 3fjv s ALA 122 CO 0.58 -1.16 1.26 -1.25 0.00 0.00 0.00 175.76 175.18 3fjv s PRO 123 N -2.69 2.74 -0.18 0.00 0.04 -1.26 -4.62 135.00 129.03 3fjv s PRO 123 Ca 0.66 1.97 0.00 0.00 0.04 0.00 0.00 61.00 63.67 3fjv s PRO 123 Cb -0.39 -1.88 0.01 0.00 0.04 0.00 0.00 34.50 32.27 3fjv s PRO 123 CO 0.48 -1.43 -0.16 0.08 0.04 0.00 0.00 177.00 176.01 3fjv s VAL 124 N -1.47 2.47 0.08 -0.36 1.01 0.19 -4.97 120.40 117.34 3fjv s VAL 124 Ca 0.80 -0.81 -0.19 0.00 0.00 0.00 0.00 61.98 61.78 3fjv s VAL 124 Cb -0.35 -2.05 -0.07 0.00 0.00 0.00 0.00 36.38 33.91 3fjv s VAL 124 CO 0.37 0.51 0.58 -0.31 0.00 0.00 0.00 175.10 176.25 3fjv s TYR 125 N 1.15 3.80 0.41 5.22 1.51 -1.26 -0.78 117.35 127.40 3fjv s TYR 125 Ca 0.01 1.28 -0.25 0.00 -1.01 0.00 0.00 57.07 57.10 3fjv s TYR 125 Cb -0.14 -2.50 -0.10 0.00 -0.11 0.00 0.00 41.96 39.10 3fjv s TYR 125 CO -0.07 0.58 1.20 0.00 -1.11 0.00 0.00 175.55 176.15 3fjv n ALA 126 N 1.66 0.95 -2.66 3.71 0.00 -0.73 -4.76 120.51 118.69 3fjv n ALA 126 Ca -0.10 0.27 -0.37 0.00 0.00 0.00 0.00 53.44 53.23 3fjv n ALA 126 Cb 0.51 -2.21 -0.11 0.00 0.00 0.00 0.00 19.45 17.64 3fjv n ALA 126 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 3fjv s ILE 127 N -1.20 5.21 0.97 0.00 1.01 0.27 -4.68 121.20 122.79 3fjv s ILE 127 Ca 0.61 0.13 -0.15 0.00 0.00 0.00 0.00 60.65 61.24 3fjv s ILE 127 Cb -0.53 -3.46 -0.07 0.00 0.01 0.00 0.00 42.46 38.41 3fjv s ILE 127 CO 0.58 0.29 -0.28 0.00 0.00 0.00 0.00 174.94 175.53 3fjv n ALA 128 N 4.79 -4.25 0.00 9.38 0.00 -1.26 -0.54 120.51 128.62 3fjv n ALA 128 Ca -0.15 -0.65 0.00 0.00 0.00 0.00 0.00 53.44 52.65 3fjv n ALA 128 Cb 0.52 -1.42 0.00 0.00 0.00 0.00 0.00 19.45 18.55 3fjv n ALA 128 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3fjv n VAL 143 N -2.95 0.00 -2.51 0.00 0.31 -1.26 -4.86 118.33 107.05 3fjv n VAL 143 Ca 0.02 0.00 -0.37 0.00 -0.01 0.00 0.00 64.34 63.97 3fjv n VAL 143 Cb 0.55 0.00 -0.04 0.00 -0.91 0.00 0.00 33.84 33.44 3fjv n VAL 143 CO 0.00 0.00 0.00 -1.38 -1.32 0.00 0.00 176.83 174.13 3fjv s HIS 144 N 0.00 3.31 0.30 3.52 0.00 -1.26 -4.97 115.29 116.18 3fjv s HIS 144 Ca 0.00 1.65 -0.19 0.00 -3.00 0.00 0.00 55.06 53.52 3fjv s HIS 144 Cb 0.00 -3.18 0.02 0.00 -4.00 0.00 0.00 32.58 25.42 3fjv s HIS 144 CO 0.00 -0.67 0.70 -0.59 -1.00 0.00 0.00 174.74 173.18 3fjv s PHE 145 N -1.54 -0.05 -0.15 0.38 -0.71 -1.26 -4.80 117.98 109.85 3fjv s PHE 145 Ca 0.55 -0.44 -0.04 0.00 -1.04 0.00 0.00 56.93 55.97 3fjv s PHE 145 Cb -0.25 0.66 -0.03 0.00 -1.21 0.00 0.00 43.02 42.19 3fjv s PHE 145 CO 0.31 -1.27 -0.02 -0.51 -1.34 0.00 0.00 175.22 172.39 3fjv s LEU 146 N -2.96 3.36 -0.15 -1.99 1.02 0.74 -4.28 118.68 114.41 3fjv s LEU 146 Ca 0.13 -0.07 0.01 0.00 0.02 0.00 0.00 54.13 54.22 3fjv s LEU 146 Cb -0.05 -1.81 0.00 0.00 0.02 0.00 0.00 46.19 44.35 3fjv s LEU 146 CO 0.08 0.20 -0.17 -0.60 0.02 0.00 0.00 176.35 175.87 3fjv s ARG 147 N 0.20 3.14 -0.30 1.70 3.52 0.29 -1.26 118.95 126.25 3fjv s ARG 147 Ca -0.01 -0.79 -0.05 0.00 -0.13 0.00 0.00 55.73 54.76 3fjv s ARG 147 Cb -0.14 -2.57 0.03 0.00 -1.56 0.00 0.00 34.95 30.72 3fjv s ARG 147 CO 0.02 -0.01 0.04 -0.06 -0.81 0.00 0.00 175.30 174.49 3fjv s PHE 148 N 0.85 3.19 -0.25 5.12 0.08 0.75 -0.56 117.98 127.15 3fjv s PHE 148 Ca -0.05 -1.42 -0.20 0.00 0.12 0.00 0.00 56.93 55.38 3fjv s PHE 148 Cb -0.15 -2.19 -0.02 0.00 -0.57 0.00 0.00 43.02 40.09 3fjv s PHE 148 CO -0.01 -0.70 0.63 -1.21 -0.10 0.00 0.00 175.22 173.83 3fjv s GLU 149 N 1.38 4.11 -0.14 0.44 0.41 -1.26 -1.29 118.70 122.35 3fjv s GLU 149 Ca -0.01 0.55 -0.11 0.00 -0.41 0.00 0.00 54.97 54.99 3fjv s GLU 149 Cb -0.18 -3.65 -0.05 0.00 -1.78 0.00 0.00 34.13 28.47 3fjv s GLU 149 CO 0.01 -0.41 0.21 -0.51 -0.49 0.00 0.00 175.26 174.07 3fjv s LEU 150 N 2.49 4.31 0.81 1.80 1.02 -0.42 -4.98 118.68 123.71 3fjv s LEU 150 Ca 0.26 0.47 -0.11 0.00 0.02 0.00 0.00 54.13 54.77 3fjv s LEU 150 Cb -0.15 -2.23 0.08 0.00 0.02 0.00 0.00 46.19 43.91 3fjv s LEU 150 CO 0.08 0.24 1.10 -0.83 0.02 0.00 0.00 176.35 176.96 3fjv s GLY 151 N -0.20 1.62 0.23 -3.19 0.00 -1.26 -4.80 107.32 99.73 3fjv s GLY 151 Ca 0.14 -0.17 -0.07 0.00 0.00 0.00 0.00 44.72 44.63 3fjv s GLY 151 CO 0.03 0.27 1.87 -0.55 0.00 0.00 0.00 173.10 174.72 3fjv h ASP 152 N -1.17 0.88 0.00 1.64 3.32 -1.99 0.19 116.42 119.29 3fjv h ASP 152 Ca -0.47 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.58 3fjv h ASP 152 Cb 1.27 -0.19 0.00 0.00 0.22 0.00 0.00 39.33 40.63 3fjv h ASP 152 CO 0.58 0.60 0.00 0.00 -1.72 0.00 0.00 179.24 178.70 3fjv n ALA 153 N -2.34 1.01 0.00 3.45 0.00 -1.26 -1.27 120.51 120.10 3fjv n ALA 153 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.55 3fjv n ALA 153 Cb 0.12 -0.99 0.00 0.00 0.00 0.00 0.00 19.45 18.58 3fjv n ALA 153 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3fjv n LYS 155 N 0.52 0.00 -0.08 0.00 5.02 0.05 -1.73 118.16 121.93 3fjv n LYS 155 Ca 0.00 0.00 -0.12 0.00 -2.02 0.00 0.00 58.31 56.17 3fjv n LYS 155 Cb 0.00 0.00 -0.05 0.00 -0.02 0.00 0.00 35.03 34.96 3fjv n LYS 155 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3fjv h ALA 156 N 0.00 0.34 -0.62 7.82 0.00 -1.44 -1.72 119.26 123.63 3fjv h ALA 156 Ca 0.00 -0.28 -0.01 0.00 0.00 0.00 0.00 54.91 54.62 3fjv h ALA 156 Cb 0.00 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.68 3fjv h ALA 156 CO 0.00 0.16 0.35 0.87 0.00 0.00 0.00 179.25 180.63 3fjv h LYS 157 N 0.21 0.86 -0.00 0.00 1.57 -1.59 0.47 116.57 118.09 3fjv h LYS 157 Ca 0.06 -0.10 -0.00 0.00 -1.87 0.00 0.00 60.65 58.74 3fjv h LYS 157 Cb 0.56 -0.17 -0.00 0.00 0.08 0.00 0.00 32.23 32.70 3fjv h LYS 157 CO 0.03 0.65 0.00 1.25 -0.57 0.00 0.00 179.45 180.81 3fjv h LEU 158 N 0.84 0.00 -0.84 2.94 5.85 -1.81 -0.52 115.31 121.79 3fjv h LEU 158 Ca 0.22 -0.26 0.14 0.00 0.84 0.00 0.00 57.88 58.82 3fjv h LEU 158 Cb 0.03 -0.00 -0.09 0.00 0.37 0.00 0.00 40.66 40.97 3fjv h LEU 158 CO -0.04 0.26 0.43 0.11 -0.34 0.00 0.00 178.44 178.86 3fjv h LYS 159 N -0.25 0.60 0.00 1.25 1.57 -1.12 0.60 116.57 119.22 3fjv h LYS 159 Ca 0.00 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.74 3fjv h LYS 159 Cb 0.26 -0.14 0.00 0.00 0.08 0.00 0.00 32.23 32.43 3fjv h LYS 159 CO 0.00 0.40 0.00 0.00 -0.57 0.00 0.00 179.45 179.28 3fjv n ALA 160 N -2.43 2.40 -0.34 3.86 0.00 0.14 -4.87 120.51 119.28 3fjv n ALA 160 Ca 0.16 -0.09 0.00 0.00 0.00 0.00 0.00 53.44 53.52 3fjv n ALA 160 Cb 0.42 -1.23 0.00 0.00 0.00 0.00 0.00 19.45 18.64 3fjv n ALA 160 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3fjv n GLY 161 N 0.49 0.82 3.68 0.00 0.00 0.20 -5.04 105.19 105.34 3fjv n GLY 161 Ca 0.11 -0.11 -0.33 0.00 0.00 0.00 0.00 46.02 45.68 3fjv n GLY 161 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3fjv n ALA 162 N -0.99 -0.19 -1.72 4.61 0.00 -0.26 -4.96 120.51 117.00 3fjv n ALA 162 Ca 0.00 -0.35 -0.42 0.00 0.00 0.00 0.00 53.44 52.67 3fjv n ALA 162 Cb 0.00 -2.22 -0.01 0.00 0.00 0.00 0.00 19.45 17.22 3fjv n ALA 162 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 3fjv n PRO 163 N -3.23 2.30 -4.74 0.00 -0.02 -1.26 -4.80 135.00 123.25 3fjv n PRO 163 Ca 0.13 0.81 -0.31 0.00 -2.02 0.00 0.00 63.50 62.11 3fjv n PRO 163 Cb 0.51 -2.44 -0.17 0.00 -0.02 0.00 0.00 33.50 31.38 3fjv n PRO 163 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 3fjv s LEU 164 N -1.27 1.95 0.19 2.45 2.96 -1.26 -0.43 118.68 123.27 3fjv s LEU 164 Ca 0.55 -0.51 0.10 0.00 -0.22 0.00 0.00 54.13 54.05 3fjv s LEU 164 Cb -0.54 -1.28 -0.04 0.00 0.50 0.00 0.00 46.19 44.83 3fjv s LEU 164 CO 0.62 0.08 -0.21 -0.44 -1.32 0.00 0.00 176.35 175.08 3fjv s SER 165 N 0.73 3.08 -0.02 3.68 0.01 -0.51 0.57 113.70 121.24 3fjv s SER 165 Ca -0.11 -0.89 0.01 0.00 1.31 0.00 0.00 55.95 56.27 3fjv s SER 165 Cb -0.16 -0.21 0.01 0.00 0.21 0.00 0.00 66.02 65.87 3fjv s SER 165 CO 0.02 0.03 -0.03 -0.51 0.41 0.00 0.00 173.24 173.15 3fjv s ILE 166 N -2.00 0.35 0.09 1.44 2.07 -0.25 -0.78 121.20 122.13 3fjv s ILE 166 Ca 0.20 -0.11 -0.00 0.00 -1.41 0.00 0.00 60.65 59.32 3fjv s ILE 166 Cb -0.06 -0.35 0.00 0.00 0.13 0.00 0.00 42.46 42.18 3fjv s ILE 166 CO 0.09 0.14 0.12 0.61 -1.91 0.00 0.00 174.94 173.99 3fjv n GLY 167 N 3.49 2.89 3.14 1.50 0.00 -0.65 -1.31 105.19 114.25 3fjv n GLY 167 Ca -0.19 -1.44 -0.12 0.00 0.00 0.00 0.00 46.02 44.26 3fjv n GLY 167 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3fjv n ASP 169 N 3.48 1.87 -4.78 0.00 5.68 -0.87 0.02 116.55 121.95 3fjv n ASP 169 Ca -0.18 -3.40 -0.41 0.00 -0.50 0.00 0.00 54.79 50.30 3fjv n ASP 169 Cb 0.56 -0.46 -0.00 0.00 -1.14 0.00 0.00 41.12 40.08 3fjv n ASP 169 CO 0.00 0.00 0.00 -2.28 -1.33 0.00 0.00 177.20 173.59 3fjv s HIS 170 N -2.80 2.56 0.43 2.11 2.46 -1.26 -4.86 115.29 113.93 3fjv s HIS 170 Ca 0.34 1.12 0.11 0.00 0.47 0.00 0.00 55.06 57.10 3fjv s HIS 170 Cb 0.32 -4.05 0.93 0.00 -0.13 0.00 0.00 32.58 29.64 3fjv s HIS 170 CO -0.03 -3.12 2.01 -1.35 -2.47 0.00 0.00 174.74 169.78 3fjv h PRO 171 N 3.10 0.23 -0.01 2.88 0.11 -1.96 -1.19 132.00 135.16 3fjv h PRO 171 Ca -0.51 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.57 3fjv h PRO 171 Cb 1.24 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.31 3fjv h PRO 171 CO 0.65 0.27 -0.02 0.72 -0.21 0.00 0.00 178.00 179.41 3fjv n HIS 172 N -4.38 0.00 -2.92 0.65 8.25 -1.26 -4.49 115.22 111.06 3fjv n HIS 172 Ca -0.01 0.00 -0.13 0.00 -0.26 0.00 0.00 57.72 57.33 3fjv n HIS 172 Cb 0.18 -0.01 0.04 0.00 1.12 0.00 0.00 29.99 31.32 3fjv n HIS 172 CO 0.00 0.00 0.00 0.98 0.64 0.00 0.00 176.34 177.96 3fjv n TYR 173 N 0.03 -1.56 -2.39 4.41 9.36 -0.49 -5.04 117.16 121.48 3fjv n TYR 173 Ca 0.19 -2.85 -0.43 0.00 3.32 0.00 0.00 57.90 58.13 3fjv n TYR 173 Cb 0.34 0.76 -0.02 0.00 -0.63 0.00 0.00 39.34 39.79 3fjv n TYR 173 CO 0.00 0.00 0.00 -1.25 0.22 0.00 0.00 176.86 175.83 3fjv s PRO 174 N -0.89 3.70 -0.11 2.98 0.04 -0.95 -4.10 135.00 135.67 3fjv s PRO 174 Ca 0.30 1.02 0.01 0.00 0.04 0.00 0.00 61.00 62.37 3fjv s PRO 174 Cb 0.32 -3.97 0.02 0.00 0.04 0.00 0.00 34.50 30.91 3fjv s PRO 174 CO -0.06 -1.40 -0.14 0.42 0.04 0.00 0.00 177.00 175.86 3fjv s ILE 175 N 4.99 1.44 0.38 0.56 -1.09 0.10 -4.99 121.20 122.60 3fjv s ILE 175 Ca 0.59 -0.60 -0.27 0.00 -2.23 0.00 0.00 60.65 58.14 3fjv s ILE 175 Cb -0.14 -1.33 -0.09 0.00 -1.58 0.00 0.00 42.46 39.32 3fjv s ILE 175 CO 0.29 0.43 1.26 -1.58 -1.23 0.00 0.00 174.94 174.11 3fjv s GLN 176 N 1.09 4.11 0.14 2.79 0.74 -1.26 -1.61 119.66 125.64 3fjv s GLN 176 Ca -0.05 2.06 -0.35 0.00 0.05 0.00 0.00 55.36 57.08 3fjv s GLN 176 Cb -0.14 -2.82 -0.16 0.00 1.10 0.00 0.00 33.01 30.99 3fjv s GLN 176 CO -0.03 -0.34 1.34 0.00 -0.55 0.00 0.00 175.29 175.71 3fjv n ALA 177 N 0.31 -0.33 -2.55 1.58 0.00 -1.26 -4.73 120.51 113.53 3fjv n ALA 177 Ca 0.03 0.48 -0.23 0.00 0.00 0.00 0.00 53.44 53.72 3fjv n ALA 177 Cb 0.44 -2.13 -0.13 0.00 0.00 0.00 0.00 19.45 17.63 3fjv n ALA 177 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3fjv s ALA 178 N 0.33 1.57 0.19 0.00 0.00 -0.43 -4.89 121.76 118.53 3fjv s ALA 178 Ca 0.79 -1.02 -0.30 0.00 0.00 0.00 0.00 51.96 51.43 3fjv s ALA 178 Cb -0.85 -0.27 -0.08 0.00 0.00 0.00 0.00 23.12 21.92 3fjv s ALA 178 CO 0.47 0.33 1.16 0.50 0.00 0.00 0.00 175.76 178.22 3fjv s ARG 179 N -1.31 4.53 0.22 0.00 3.52 -1.26 -1.09 118.95 123.56 3fjv s ARG 179 Ca 0.05 1.83 -0.29 0.00 -0.13 0.00 0.00 55.73 57.19 3fjv s ARG 179 Cb -0.09 -3.25 -0.09 0.00 -1.56 0.00 0.00 34.95 29.97 3fjv s ARG 179 CO 0.02 -0.02 0.90 0.42 -0.81 0.00 0.00 175.30 175.81 3fjv s ILE 180 N -0.20 4.14 -0.14 4.11 1.01 0.19 -4.91 121.20 125.41 3fjv s ILE 180 Ca 0.51 1.99 -0.35 0.00 0.00 0.00 0.00 60.65 62.80 3fjv s ILE 180 Cb -0.32 -4.28 -0.17 0.00 0.01 0.00 0.00 42.46 37.71 3fjv s ILE 180 CO 0.37 0.50 1.04 -0.67 0.00 0.00 0.00 174.94 176.18 3fjv n ASP 181 N 1.51 0.33 -0.11 3.58 -0.08 -1.26 -4.71 116.55 115.80 3fjv n ASP 181 Ca -0.03 0.97 0.07 0.00 -1.51 0.00 0.00 54.79 54.30 3fjv n ASP 181 Cb 0.47 -0.75 0.41 0.00 2.34 0.00 0.00 41.12 43.59 3fjv n ASP 181 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 3fjv h PRO 182 N 3.06 0.60 -1.00 -0.67 0.11 -1.96 -0.78 132.00 131.36 3fjv h PRO 182 Ca -0.40 -0.04 0.01 0.00 0.11 0.00 0.00 66.00 65.68 3fjv h PRO 182 Cb 1.17 -0.14 -0.05 0.00 0.11 0.00 0.00 31.00 32.10 3fjv h PRO 182 CO 0.63 0.40 0.66 -0.44 -0.21 0.00 0.00 178.00 179.04 3fjv h ASP 183 N 0.62 1.15 -0.10 -2.05 3.32 -1.97 0.10 116.42 117.50 3fjv h ASP 183 Ca 0.27 -0.03 -0.02 0.00 0.02 0.00 0.00 57.03 57.26 3fjv h ASP 183 Cb 0.26 -0.29 -0.00 0.00 0.22 0.00 0.00 39.33 39.52 3fjv h ASP 183 CO -0.08 0.83 -0.04 0.58 -1.72 0.00 0.00 179.24 178.82 3fjv h VAL 184 N 1.36 1.31 -0.80 -1.35 2.07 -1.44 -2.61 116.25 114.79 3fjv h VAL 184 Ca 0.37 -1.01 0.12 0.00 0.82 0.00 0.00 66.70 66.99 3fjv h VAL 184 Cb -0.16 1.78 -0.08 0.00 -1.52 0.00 0.00 31.29 31.31 3fjv h VAL 184 CO -0.08 0.29 0.41 0.00 0.02 0.00 0.00 177.57 178.21 3fjv h ALA 185 N 0.66 1.15 -1.01 1.67 0.00 -0.82 -0.61 119.26 120.30 3fjv h ALA 185 Ca 0.02 0.07 0.04 0.00 0.00 0.00 0.00 54.91 55.04 3fjv h ALA 185 Cb 0.47 -0.05 -0.06 0.00 0.00 0.00 0.00 17.79 18.15 3fjv h ALA 185 CO 0.01 -0.04 0.66 0.00 0.00 0.00 0.00 179.25 179.88 3fjv h ALA 186 N 1.49 1.34 -0.29 0.00 0.00 -0.73 -1.24 119.26 119.83 3fjv h ALA 186 Ca 0.41 -0.05 -0.05 0.00 0.00 0.00 0.00 54.91 55.22 3fjv h ALA 186 Cb 0.50 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 3fjv h ALA 186 CO -0.31 0.55 -0.02 1.03 0.00 0.00 0.00 179.25 180.50 3fjv h SER 187 N 1.27 0.52 -0.98 0.00 0.87 -0.81 -2.97 113.55 111.45 3fjv h SER 187 Ca 0.40 -0.33 0.01 0.00 -1.23 0.00 0.00 61.79 60.65 3fjv h SER 187 Cb 0.01 -0.14 -0.05 0.00 -0.44 0.00 0.00 62.40 61.78 3fjv h SER 187 CO -0.13 0.72 0.65 -0.07 -0.53 0.00 0.00 176.83 177.47 3fjv h LEU 188 N 0.31 1.12 -1.72 2.23 4.07 -0.81 -1.96 115.31 118.54 3fjv h LEU 188 Ca 0.08 -0.03 0.02 0.00 0.08 0.00 0.00 57.88 58.03 3fjv h LEU 188 Cb 0.47 -0.27 -0.02 0.00 1.08 0.00 0.00 40.66 41.91 3fjv h LEU 188 CO 0.02 0.80 0.22 0.00 -1.08 0.00 0.00 178.44 178.40 3fjv h ALA 189 N 1.40 1.84 0.00 1.53 0.00 -1.08 -1.33 119.26 121.62 3fjv h ALA 189 Ca 0.37 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.26 3fjv h ALA 189 Cb -0.12 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.56 3fjv h ALA 189 CO -0.09 0.13 0.00 0.78 0.00 0.00 0.00 179.25 180.07 3fjv h GLY 190 N 0.37 0.00 2.00 0.00 0.00 -1.29 -0.80 103.07 103.36 3fjv h GLY 190 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.46 3fjv h GLY 190 CO -0.03 0.00 0.00 -0.55 0.00 0.00 0.00 176.54 175.96 3fjv h ASP 191 N 0.00 0.00 -3.31 0.19 3.32 -1.29 -3.45 116.42 111.88 3fjv h ASP 191 Ca 0.00 0.00 -0.57 0.00 0.02 0.00 0.00 57.03 56.48 3fjv h ASP 191 Cb 0.24 0.00 -0.07 0.00 0.22 0.00 0.00 39.33 39.73 3fjv h ASP 191 CO 0.00 0.00 -0.07 -0.76 -1.72 0.00 0.00 179.24 176.69 3fjv s LEU 192 N -6.00 4.32 0.00 1.55 1.43 -0.31 -4.33 118.68 115.35 3fjv s LEU 192 Ca 0.03 0.97 0.31 0.00 -1.03 0.00 0.00 54.13 54.40 3fjv s LEU 192 Cb 0.08 -2.81 1.61 0.00 0.03 0.00 0.00 46.19 45.10 3fjv s LEU 192 CO 0.55 0.02 2.06 -0.90 0.23 0.00 0.00 176.35 178.31