#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3fb1 s VAL 5 N 0.00 4.95 0.19 2.46 -7.23 -1.26 -5.03 120.40 114.48 3fb1 s VAL 5 Ca 0.00 0.83 -0.33 0.00 -1.81 0.00 0.00 61.98 60.67 3fb1 s VAL 5 Cb 0.00 -3.74 -0.13 0.00 0.56 0.00 0.00 36.38 33.07 3fb1 s VAL 5 CO 0.00 0.45 1.57 0.41 -0.31 0.00 0.00 175.10 177.21 3fb1 n THR 6 N 1.40 0.22 -0.62 5.32 -1.04 -1.26 -4.74 114.28 113.55 3fb1 n THR 6 Ca -0.10 -0.06 -0.07 0.00 -2.04 0.00 0.00 64.05 61.78 3fb1 n THR 6 Cb 0.52 -1.61 -0.10 0.00 -1.82 0.00 0.00 70.33 67.32 3fb1 n THR 6 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3fb1 n ALA 7 N 3.15 4.42 -2.07 2.41 0.00 -1.26 -4.55 120.51 122.61 3fb1 n ALA 7 Ca 0.15 -1.04 -0.23 0.00 0.00 0.00 0.00 53.44 52.32 3fb1 n ALA 7 Cb 0.30 -2.14 0.04 0.00 0.00 0.00 0.00 19.45 17.65 3fb1 n ALA 7 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3fb1 s ASN 8 N 2.27 5.38 0.31 0.00 2.20 -1.26 -4.86 114.94 118.97 3fb1 s ASN 8 Ca 0.38 0.25 0.03 0.00 -0.94 0.00 0.00 52.86 52.58 3fb1 s ASN 8 Cb 0.18 -1.20 0.61 0.00 -2.00 0.00 0.00 41.25 38.84 3fb1 s ASN 8 CO 0.00 -1.10 1.87 -0.29 -2.94 0.00 0.00 177.10 174.64 3fb1 h ILE 9 N -0.00 0.95 0.37 0.54 6.09 -1.97 -0.46 117.51 123.02 3fb1 h ILE 9 Ca -0.44 -0.32 -0.02 0.00 -1.37 0.00 0.00 64.86 62.71 3fb1 h ILE 9 Cb 1.28 -0.07 0.00 0.00 0.47 0.00 0.00 36.82 38.51 3fb1 h ILE 9 CO 0.56 0.17 -0.18 -0.33 -3.07 0.00 0.00 178.15 175.31 3fb1 h GLU 10 N 0.94 -0.48 -0.33 2.19 3.07 -1.94 0.10 114.58 118.14 3fb1 h GLU 10 Ca 0.45 0.03 -0.02 0.00 -0.50 0.00 0.00 59.36 59.32 3fb1 h GLU 10 Cb 0.45 0.11 -0.01 0.00 -0.84 0.00 0.00 28.75 28.45 3fb1 h GLU 10 CO -0.21 -0.26 0.12 -0.91 -1.40 0.00 0.00 179.01 176.35 3fb1 h ASN 11 N -0.59 0.47 -0.90 1.42 2.35 -1.68 -0.43 115.58 116.21 3fb1 h ASN 11 Ca -0.05 -0.18 0.02 0.00 -0.55 0.00 0.00 56.30 55.54 3fb1 h ASN 11 Cb 0.44 -0.12 -0.05 0.00 0.05 0.00 0.00 38.32 38.64 3fb1 h ASN 11 CO 0.08 0.52 0.59 0.58 -1.65 0.00 0.00 177.43 177.56 3fb1 h VAL 12 N 0.38 1.20 -0.18 2.81 2.07 -1.09 -1.62 116.25 119.82 3fb1 h VAL 12 Ca 0.11 -0.40 -0.00 0.00 0.82 0.00 0.00 66.70 67.22 3fb1 h VAL 12 Cb 0.21 -0.09 -0.01 0.00 -1.52 0.00 0.00 31.29 29.89 3fb1 h VAL 12 CO -0.01 0.22 0.10 0.11 0.02 0.00 0.00 177.57 178.01 3fb1 h LYS 13 N 1.18 0.26 -0.21 1.57 1.57 -0.50 0.77 116.57 121.19 3fb1 h LYS 13 Ca 0.34 -0.03 0.05 0.00 -1.87 0.00 0.00 60.65 59.14 3fb1 h LYS 13 Cb -0.08 -0.05 -0.05 0.00 0.08 0.00 0.00 32.23 32.13 3fb1 h LYS 13 CO -0.09 0.26 -0.14 0.87 -0.57 0.00 0.00 179.45 179.78 3fb1 h LYS 14 N 0.19 -0.12 -0.21 3.15 1.57 -0.61 0.35 116.57 120.89 3fb1 h LYS 14 Ca 0.06 0.01 -0.00 0.00 -1.87 0.00 0.00 60.65 58.85 3fb1 h LYS 14 Cb 0.08 0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.41 3fb1 h LYS 14 CO -0.01 -0.08 0.13 0.28 -0.57 0.00 0.00 179.45 179.20 3fb1 h VAL 15 N -0.13 1.07 -0.75 0.50 2.07 -1.20 -0.09 116.25 117.74 3fb1 h VAL 15 Ca 0.12 -0.17 0.03 0.00 0.82 0.00 0.00 66.70 67.50 3fb1 h VAL 15 Cb 0.31 0.81 -0.04 0.00 -1.52 0.00 0.00 31.29 30.85 3fb1 h VAL 15 CO -0.29 0.07 0.49 0.00 0.02 0.00 0.00 177.57 177.86 3fb1 h ALA 16 N 1.05 1.53 -0.24 1.67 0.00 -0.12 -0.73 119.26 122.43 3fb1 h ALA 16 Ca 0.08 -0.04 -0.15 0.00 0.00 0.00 0.00 54.91 54.79 3fb1 h ALA 16 Cb 0.00 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 17.52 3fb1 h ALA 16 CO -0.01 0.41 -0.44 0.45 0.00 0.00 0.00 179.25 179.65 3fb1 h HIS 17 N 0.95 0.91 -0.01 0.00 -0.00 0.08 -0.06 115.15 117.00 3fb1 h HIS 17 Ca 0.29 -0.32 -0.04 0.00 -0.00 0.00 0.00 60.37 60.30 3fb1 h HIS 17 Cb -0.00 -0.17 -0.01 0.00 -0.00 0.00 0.00 27.41 27.23 3fb1 h HIS 17 CO -0.00 1.11 -0.17 1.25 -0.00 0.00 0.00 177.93 180.11 3fb1 h HIS 18 N 0.45 0.02 0.04 2.45 6.17 -0.42 -1.33 115.15 122.54 3fb1 h HIS 18 Ca 0.01 -0.00 -0.26 0.00 0.71 0.00 0.00 60.37 60.83 3fb1 h HIS 18 Cb 1.05 -0.01 0.01 0.00 2.52 0.00 0.00 27.41 30.98 3fb1 h HIS 18 CO 0.08 0.20 -1.07 0.82 0.71 0.00 0.00 177.93 178.67 3fb1 h ILE 19 N 0.02 1.36 0.00 6.26 2.04 -0.94 -2.92 117.51 123.33 3fb1 h ILE 19 Ca 0.00 -2.47 0.00 0.00 1.00 0.00 0.00 64.86 63.39 3fb1 h ILE 19 Cb 0.32 2.53 0.00 0.00 -0.74 0.00 0.00 36.82 38.93 3fb1 h ILE 19 CO 0.02 0.75 0.00 0.00 0.00 0.00 0.00 178.15 178.92 3fb1 n GLN 20 N -3.76 0.15 0.00 2.37 6.02 -0.05 -0.65 117.38 121.46 3fb1 n GLN 20 Ca -0.09 0.46 0.13 0.00 -0.01 0.00 0.00 57.00 57.49 3fb1 n GLN 20 Cb 0.90 -1.82 0.47 0.00 1.02 0.00 0.00 30.24 30.81 3fb1 n GLN 20 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 3fb1 n LYS 21 N -2.11 0.98 0.00 -1.09 5.02 -0.58 -3.92 118.16 116.46 3fb1 n LYS 21 Ca 0.01 -0.53 0.01 0.00 -2.02 0.00 0.00 58.31 55.79 3fb1 n LYS 21 Cb 0.16 -1.49 -0.01 0.00 -0.02 0.00 0.00 35.03 33.67 3fb1 n LYS 21 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 3fb1 n LEU 22 N -0.55 0.17 -3.60 -0.35 4.77 0.18 -5.05 117.00 112.56 3fb1 n LEU 22 Ca 0.14 -0.53 -0.16 0.00 -0.03 0.00 0.00 56.01 55.43 3fb1 n LEU 22 Cb 0.33 0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 41.35 3fb1 n LEU 22 CO 0.23 0.04 0.31 0.28 -1.33 0.00 0.00 177.39 176.92 3fb1 s THR 23 N -1.11 0.01 -0.45 -5.08 -1.32 -0.81 -5.03 115.64 101.86 3fb1 s THR 23 Ca 0.01 -0.12 0.22 0.00 -1.21 0.00 0.00 61.69 60.59 3fb1 s THR 23 Cb 0.01 -0.88 -0.25 0.00 -1.51 0.00 0.00 72.50 69.88 3fb1 s THR 23 CO 0.07 -0.07 0.73 -1.54 -2.21 0.00 0.00 174.62 171.61 3fb1 n SER 24 N 1.28 0.46 -4.65 8.08 3.41 -1.26 -4.53 113.62 116.42 3fb1 n SER 24 Ca -0.19 -0.35 -0.42 0.00 -0.26 0.00 0.00 58.87 57.65 3fb1 n SER 24 Cb 0.57 1.41 -0.03 0.00 -0.26 0.00 0.00 64.21 65.89 3fb1 n SER 24 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 3fb1 s ILE 25 N -3.29 3.22 -0.51 -1.33 1.01 -1.26 -4.95 121.20 114.08 3fb1 s ILE 25 Ca -0.00 0.26 -0.17 0.00 0.00 0.00 0.00 60.65 60.73 3fb1 s ILE 25 Cb 0.15 -3.19 0.09 0.00 0.01 0.00 0.00 42.46 39.51 3fb1 s ILE 25 CO 0.87 -0.05 0.52 -0.69 0.00 0.00 0.00 174.94 175.59 3fb1 s VAL 26 N 5.16 5.08 0.26 2.92 1.01 -1.26 -4.99 120.40 128.58 3fb1 s VAL 26 Ca 0.85 -1.01 -0.30 0.00 0.00 0.00 0.00 61.98 61.53 3fb1 s VAL 26 Cb -0.37 -4.26 -0.09 0.00 0.00 0.00 0.00 36.38 31.66 3fb1 s VAL 26 CO 0.36 -0.77 1.07 -2.16 0.00 0.00 0.00 175.10 173.61 3fb1 s PRO 27 N 2.02 4.67 -0.01 2.72 0.05 -1.24 -4.76 135.00 138.44 3fb1 s PRO 27 Ca 0.07 1.74 0.15 0.00 0.05 0.00 0.00 61.00 63.01 3fb1 s PRO 27 Cb -0.24 -3.22 -0.20 0.00 0.05 0.00 0.00 34.50 30.89 3fb1 s PRO 27 CO 0.07 0.24 0.47 -0.85 0.05 0.00 0.00 177.00 176.98 3fb1 n GLU 28 N 1.43 1.32 -4.54 4.56 0.28 0.06 -2.13 120.64 121.61 3fb1 n GLU 28 Ca -0.01 -0.07 -0.27 0.00 -0.16 0.00 0.00 57.16 56.66 3fb1 n GLU 28 Cb 0.45 -1.27 -0.17 0.00 1.43 0.00 0.00 31.44 31.89 3fb1 n GLU 28 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 177.13 177.39 3fb1 s ILE 29 N -2.71 1.33 -0.14 3.84 1.01 -0.84 0.53 121.20 124.22 3fb1 s ILE 29 Ca -0.00 -0.57 -0.07 0.00 0.00 0.00 0.00 60.65 60.01 3fb1 s ILE 29 Cb 0.10 -1.22 -0.04 0.00 0.01 0.00 0.00 42.46 41.31 3fb1 s ILE 29 CO 0.61 0.40 0.12 -0.83 0.00 0.00 0.00 174.94 175.24 3fb1 s GLY 30 N 0.83 2.09 -0.05 6.18 0.00 0.97 -0.26 107.32 117.07 3fb1 s GLY 30 Ca -0.11 -0.67 0.04 0.00 0.00 0.00 0.00 44.72 43.98 3fb1 s GLY 30 CO 0.01 -0.24 -0.17 -0.42 0.00 0.00 0.00 173.10 172.29 3fb1 s ILE 31 N -0.58 1.42 -0.18 0.90 1.01 0.55 0.13 121.20 124.46 3fb1 s ILE 31 Ca 0.12 -0.70 0.01 0.00 0.00 0.00 0.00 60.65 60.09 3fb1 s ILE 31 Cb -0.12 -1.23 0.02 0.00 0.01 0.00 0.00 42.46 41.14 3fb1 s ILE 31 CO 0.02 0.41 -0.19 -0.63 0.00 0.00 0.00 174.94 174.56 3fb1 s ILE 32 N 0.16 1.99 0.04 2.92 1.01 -0.09 -0.12 121.20 127.11 3fb1 s ILE 32 Ca -0.07 -0.93 -0.20 0.00 0.00 0.00 0.00 60.65 59.45 3fb1 s ILE 32 Cb -0.13 -1.82 -0.06 0.00 0.01 0.00 0.00 42.46 40.46 3fb1 s ILE 32 CO 0.03 0.50 0.60 0.00 0.00 0.00 0.00 174.94 176.06 3fb1 n GLY 34 N 2.10 0.60 3.57 0.00 0.00 -1.11 -4.69 105.19 105.66 3fb1 n GLY 34 Ca -0.08 -2.02 -0.50 0.00 0.00 0.00 0.00 46.02 43.42 3fb1 n GLY 34 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3fb1 n SER 35 N -2.94 2.73 -0.30 1.61 7.64 -1.26 -0.76 113.62 120.35 3fb1 n SER 35 Ca 0.15 0.64 -0.04 0.00 1.01 0.00 0.00 58.87 60.63 3fb1 n SER 35 Cb 0.55 -1.32 -0.01 0.00 -1.01 0.00 0.00 64.21 62.41 3fb1 n SER 35 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3fb1 n GLY 36 N 5.50 0.60 0.09 0.23 0.00 -1.26 -4.61 105.19 105.74 3fb1 n GLY 36 Ca 0.32 -0.88 0.04 0.00 0.00 0.00 0.00 46.02 45.50 3fb1 n GLY 36 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3fb1 n LEU 37 N -0.43 1.74 -0.33 0.99 4.77 0.06 -1.46 117.00 122.33 3fb1 n LEU 37 Ca -0.04 -2.17 0.01 0.00 -0.03 0.00 0.00 56.01 53.79 3fb1 n LEU 37 Cb 0.18 -0.18 0.04 0.00 -2.33 0.00 0.00 43.42 41.12 3fb1 n LEU 37 CO 0.06 0.51 0.44 0.61 -1.33 0.00 0.00 177.39 177.68 3fb1 n GLY 38 N -0.80 0.24 0.20 -0.72 0.00 -1.26 -3.86 105.19 99.00 3fb1 n GLY 38 Ca 0.07 -0.08 0.15 0.00 0.00 0.00 0.00 46.02 46.15 3fb1 n GLY 38 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 3fb1 h LYS 39 N 0.41 0.00 -0.28 1.61 3.64 -1.86 -2.27 116.57 117.81 3fb1 h LYS 39 Ca 0.00 0.00 -0.08 0.00 -1.27 0.00 0.00 60.65 59.30 3fb1 h LYS 39 Cb 0.31 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.12 3fb1 h LYS 39 CO 0.02 0.00 -0.12 1.25 -2.27 0.00 0.00 179.45 178.33 3fb1 h LEU 40 N 0.00 0.60 -1.46 5.20 5.85 -1.85 -2.98 115.31 120.67 3fb1 h LEU 40 Ca 0.00 -0.40 0.14 0.00 0.84 0.00 0.00 57.88 58.47 3fb1 h LEU 40 Cb 0.28 -0.17 -0.02 0.00 0.37 0.00 0.00 40.66 41.12 3fb1 h LEU 40 CO 0.00 0.86 0.74 0.00 -0.34 0.00 0.00 178.44 179.70 3fb1 h ALA 41 N 0.75 2.25 0.07 1.25 0.00 -1.72 0.17 119.26 122.04 3fb1 h ALA 41 Ca 0.07 -0.02 -0.25 0.00 0.00 0.00 0.00 54.91 54.71 3fb1 h ALA 41 Cb 0.63 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.46 3fb1 h ALA 41 CO 0.04 -1.00 -1.10 -0.44 0.00 0.00 0.00 179.25 176.75 3fb1 h ASP 42 N 0.00 0.42 0.40 0.00 5.19 -1.66 -3.31 116.42 117.47 3fb1 h ASP 42 Ca 0.24 -0.40 0.00 0.00 -0.62 0.00 0.00 57.03 56.24 3fb1 h ASP 42 Cb 1.71 -0.13 0.00 0.00 0.18 0.00 0.00 39.33 41.09 3fb1 h ASP 42 CO -0.00 1.26 0.00 0.61 -3.12 0.00 0.00 179.24 177.99 3fb1 n GLY 43 N 1.26 -1.11 3.65 2.75 0.00 0.60 -4.79 105.19 107.55 3fb1 n GLY 43 Ca -0.07 -0.14 -0.42 0.00 0.00 0.00 0.00 46.02 45.39 3fb1 n GLY 43 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3fb1 s VAL 44 N -2.45 3.67 0.41 1.61 1.01 -1.22 -4.86 120.40 118.58 3fb1 s VAL 44 Ca 0.29 0.81 -0.05 0.00 0.00 0.00 0.00 61.98 63.02 3fb1 s VAL 44 Cb 0.18 -3.55 -0.04 0.00 0.00 0.00 0.00 36.38 32.97 3fb1 s VAL 44 CO 0.39 -0.10 0.71 -0.54 0.00 0.00 0.00 175.10 175.55 3fb1 s LYS 45 N 4.09 3.60 -1.56 2.72 1.02 0.60 -4.23 119.74 125.98 3fb1 s LYS 45 Ca 0.71 0.14 -0.13 0.00 0.02 0.00 0.00 55.97 56.71 3fb1 s LYS 45 Cb -0.31 -2.47 0.10 0.00 -0.52 0.00 0.00 37.83 34.63 3fb1 s LYS 45 CO 0.28 -0.04 0.82 -0.25 -0.92 0.00 0.00 175.35 175.24 3fb1 n ASP 46 N -1.76 -3.44 -4.85 2.83 8.00 -1.26 -0.18 116.55 115.88 3fb1 n ASP 46 Ca -0.00 -0.89 -0.35 0.00 0.71 0.00 0.00 54.79 54.26 3fb1 n ASP 46 Cb 0.55 -3.39 -0.06 0.00 -0.02 0.00 0.00 41.12 38.20 3fb1 n ASP 46 CO 0.00 0.00 0.00 -1.59 -0.39 0.00 0.00 177.20 175.22 3fb1 s LYS 47 N -6.68 3.92 -0.15 -1.24 -2.85 -1.26 -4.52 119.74 106.96 3fb1 s LYS 47 Ca 0.56 0.41 0.00 0.00 -1.00 0.00 0.00 55.97 55.95 3fb1 s LYS 47 Cb -0.29 -2.88 -0.00 0.00 -2.06 0.00 0.00 37.83 32.59 3fb1 s LYS 47 CO 0.87 0.45 -0.15 -1.50 0.10 0.00 0.00 175.35 175.13 3fb1 s ILE 48 N -1.53 2.71 -0.28 3.79 1.10 0.63 -4.98 121.20 122.64 3fb1 s ILE 48 Ca 0.39 -0.76 -0.09 0.00 -0.51 0.00 0.00 60.65 59.68 3fb1 s ILE 48 Cb -0.14 -2.14 -0.03 0.00 0.15 0.00 0.00 42.46 40.30 3fb1 s ILE 48 CO 0.19 0.52 0.13 -0.89 -2.11 0.00 0.00 174.94 172.78 3fb1 s THR 49 N 0.75 4.70 -0.37 4.00 2.01 -1.26 -0.91 115.64 124.56 3fb1 s THR 49 Ca -0.06 -0.17 -0.01 0.00 0.31 0.00 0.00 61.69 61.76 3fb1 s THR 49 Cb -0.15 -3.29 0.10 0.00 0.01 0.00 0.00 72.50 69.16 3fb1 s THR 49 CO 0.01 0.21 0.12 -0.63 -0.69 0.00 0.00 174.62 173.64 3fb1 s ILE 50 N 1.66 2.95 0.26 1.82 1.01 0.68 -4.97 121.20 124.60 3fb1 s ILE 50 Ca 0.06 -2.00 -0.31 0.00 0.00 0.00 0.00 60.65 58.40 3fb1 s ILE 50 Cb -0.16 -2.99 -0.13 0.00 0.01 0.00 0.00 42.46 39.19 3fb1 s ILE 50 CO 0.07 -0.55 1.39 -2.65 0.00 0.00 0.00 174.94 173.21 3fb1 n PRO 51 N 4.51 2.07 -0.27 2.79 -0.02 -1.26 -0.72 135.00 142.09 3fb1 n PRO 51 Ca -0.03 0.73 0.21 0.00 -2.02 0.00 0.00 63.50 62.39 3fb1 n PRO 51 Cb 0.42 -2.38 0.52 0.00 -0.02 0.00 0.00 33.50 32.03 3fb1 n PRO 51 CO 0.00 0.00 0.00 1.88 1.98 0.00 0.00 175.50 179.36 3fb1 h TYR 52 N 3.99 0.55 -0.27 6.00 0.05 -0.20 0.55 116.97 127.65 3fb1 h TYR 52 Ca -0.45 0.02 0.06 0.00 0.05 0.00 0.00 58.73 58.40 3fb1 h TYR 52 Cb 1.28 -0.17 -0.01 0.00 1.01 0.00 0.00 36.73 38.84 3fb1 h TYR 52 CO 0.56 0.12 0.19 1.79 -1.05 0.00 0.00 178.16 179.76 3fb1 h THR 53 N 0.39 0.92 0.00 -2.88 1.35 -1.88 0.59 112.91 111.40 3fb1 h THR 53 Ca 0.51 -0.04 0.00 0.00 -0.55 0.00 0.00 66.41 66.33 3fb1 h THR 53 Cb 1.30 0.80 0.00 0.00 -1.73 0.00 0.00 68.15 68.52 3fb1 h THR 53 CO -0.20 0.02 0.00 0.29 -0.25 0.00 0.00 175.52 175.38 3fb1 n LYS 54 N -4.48 0.98 -4.04 4.72 5.02 0.19 -4.66 118.16 115.89 3fb1 n LYS 54 Ca 0.03 0.00 -0.33 0.00 -2.02 0.00 0.00 58.31 55.99 3fb1 n LYS 54 Cb 0.27 -1.36 -0.15 0.00 -0.02 0.00 0.00 35.03 33.76 3fb1 n LYS 54 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 3fb1 s ILE 55 N -2.00 2.33 0.17 -0.18 1.01 0.20 -5.01 121.20 117.72 3fb1 s ILE 55 Ca 0.34 -1.45 -0.34 0.00 0.00 0.00 0.00 60.65 59.20 3fb1 s ILE 55 Cb 0.16 -2.30 -0.14 0.00 0.01 0.00 0.00 42.46 40.19 3fb1 s ILE 55 CO 0.26 0.06 1.51 -2.65 0.00 0.00 0.00 174.94 174.12 3fb1 n PRO 56 N 4.50 2.00 -0.74 2.79 -0.02 -1.26 -1.99 135.00 140.28 3fb1 n PRO 56 Ca -0.15 0.72 0.00 0.00 -2.02 0.00 0.00 63.50 62.05 3fb1 n PRO 56 Cb 0.44 -2.45 0.00 0.00 -0.02 0.00 0.00 33.50 31.47 3fb1 n PRO 56 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 3fb1 n ASN 57 N 3.05 -1.07 -4.75 2.55 3.02 -1.26 -4.73 115.26 112.07 3fb1 n ASN 57 Ca 0.16 0.00 -0.40 0.00 -0.03 0.00 0.00 54.58 54.31 3fb1 n ASN 57 Cb 0.28 -1.83 -0.05 0.00 -0.61 0.00 0.00 39.78 37.57 3fb1 n ASN 57 CO 0.00 0.00 0.00 0.12 -2.62 0.00 0.00 177.26 174.76 3fb1 s PHE 58 N -1.87 3.79 0.47 3.10 5.36 -0.84 -4.79 117.98 123.19 3fb1 s PHE 58 Ca 0.00 1.80 -0.23 0.00 -0.96 0.00 0.00 56.93 57.54 3fb1 s PHE 58 Cb 0.00 -3.13 -0.09 0.00 -0.34 0.00 0.00 43.02 39.46 3fb1 s PHE 58 CO 0.00 -0.04 1.06 -2.30 -1.46 0.00 0.00 175.22 172.48 3fb1 n PRO 59 N 1.54 1.38 -4.21 10.12 -0.02 -1.26 -4.92 135.00 137.64 3fb1 n PRO 59 Ca -0.01 0.50 -0.35 0.00 -2.02 0.00 0.00 63.50 61.63 3fb1 n PRO 59 Cb 0.46 -2.16 -0.10 0.00 -0.02 0.00 0.00 33.50 31.69 3fb1 n PRO 59 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 3fb1 s GLN 60 N -2.24 3.54 0.16 -0.52 -1.52 -1.26 -4.86 119.66 112.96 3fb1 s GLN 60 Ca 0.66 -0.39 -0.20 0.00 -1.95 0.00 0.00 55.36 53.48 3fb1 s GLN 60 Cb -0.51 -3.01 0.05 0.00 -0.22 0.00 0.00 33.01 29.33 3fb1 s GLN 60 CO 0.55 0.45 0.53 -0.08 -0.25 0.00 0.00 175.29 176.48 3fb1 s THR 61 N -0.15 0.03 0.12 -0.19 -1.32 -1.26 -5.07 115.64 107.80 3fb1 s THR 61 Ca 0.06 -0.34 0.00 0.00 -1.21 0.00 0.00 61.69 60.20 3fb1 s THR 61 Cb -0.12 -1.18 -0.00 0.00 -1.51 0.00 0.00 72.50 69.68 3fb1 s THR 61 CO 0.02 -0.12 0.01 -1.54 -2.21 0.00 0.00 174.62 170.78 3fb1 n SER 62 N -0.33 1.85 0.00 8.08 3.41 -1.26 0.24 113.62 125.61 3fb1 n SER 62 Ca -0.15 -1.57 0.00 0.00 -0.26 0.00 0.00 58.87 56.89 3fb1 n SER 62 Cb 0.64 0.16 0.00 0.00 -0.26 0.00 0.00 64.21 64.75 3fb1 n SER 62 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3fb1 n HIS 66 N -0.29 0.00 -1.21 7.33 -0.00 -1.26 -4.59 115.22 115.20 3fb1 n HIS 66 Ca -0.04 0.00 -0.36 0.00 -0.00 0.00 0.00 57.72 57.32 3fb1 n HIS 66 Cb 0.16 0.00 0.06 0.00 -0.00 0.00 0.00 29.99 30.22 3fb1 n HIS 66 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.34 176.79 3fb1 n SER 67 N 0.00 -1.89 -4.85 4.39 2.88 -1.26 -4.97 113.62 107.91 3fb1 n SER 67 Ca 0.00 0.55 -0.31 0.00 -1.33 0.00 0.00 58.87 57.78 3fb1 n SER 67 Cb 0.00 -1.14 0.03 0.00 -0.75 0.00 0.00 64.21 62.35 3fb1 n SER 67 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 3fb1 s GLY 68 N -1.41 1.66 -0.01 0.46 0.00 0.14 -4.88 107.32 103.27 3fb1 s GLY 68 Ca 0.62 -0.05 0.04 0.00 0.00 0.00 0.00 44.72 45.33 3fb1 s GLY 68 CO 0.61 0.24 -0.12 -1.31 0.00 0.00 0.00 173.10 172.52 3fb1 s ASN 69 N -4.05 1.46 -0.24 1.64 0.01 0.46 0.58 114.94 114.80 3fb1 s ASN 69 Ca 0.56 -0.23 -0.20 0.00 -0.71 0.00 0.00 52.86 52.29 3fb1 s ASN 69 Cb -0.12 -0.19 -0.02 0.00 0.41 0.00 0.00 41.25 41.32 3fb1 s ASN 69 CO 0.54 0.14 0.59 -0.76 -1.51 0.00 0.00 177.10 176.11 3fb1 s LEU 70 N -0.24 4.08 -0.29 0.60 1.43 0.10 0.34 118.68 124.70 3fb1 s LEU 70 Ca 0.04 0.68 -0.05 0.00 -1.03 0.00 0.00 54.13 53.77 3fb1 s LEU 70 Cb -0.05 -2.80 0.02 0.00 0.03 0.00 0.00 46.19 43.39 3fb1 s LEU 70 CO -0.00 -0.32 0.03 -0.63 0.23 0.00 0.00 176.35 175.66 3fb1 s ILE 71 N 2.28 3.49 -0.04 -0.59 1.01 0.74 -0.23 121.20 127.87 3fb1 s ILE 71 Ca 0.25 -0.96 -0.03 0.00 0.00 0.00 0.00 60.65 59.91 3fb1 s ILE 71 Cb -0.16 -2.85 -0.04 0.00 0.01 0.00 0.00 42.46 39.42 3fb1 s ILE 71 CO 0.09 0.04 0.14 -0.36 0.00 0.00 0.00 174.94 174.86 3fb1 s PHE 72 N 1.40 3.49 -4.55 3.97 0.40 -0.08 -0.13 117.98 122.47 3fb1 s PHE 72 Ca 0.00 0.36 0.00 0.00 -0.60 0.00 0.00 56.93 56.69 3fb1 s PHE 72 Cb -0.18 -1.83 0.00 0.00 0.51 0.00 0.00 43.02 41.52 3fb1 s PHE 72 CO 0.00 0.64 0.00 0.41 0.70 0.00 0.00 175.22 176.97 3fb1 n GLY 73 N 1.29 -0.53 3.43 4.36 0.00 -0.86 -0.27 105.19 112.61 3fb1 n GLY 73 Ca -0.14 -1.08 -0.33 0.00 0.00 0.00 0.00 46.02 44.48 3fb1 n GLY 73 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3fb1 s THR 74 N -3.00 3.05 -0.09 2.61 2.01 0.75 -0.51 115.64 120.46 3fb1 s THR 74 Ca 0.00 -0.70 -0.02 0.00 0.31 0.00 0.00 61.69 61.28 3fb1 s THR 74 Cb 0.00 -2.23 0.03 0.00 0.01 0.00 0.00 72.50 70.32 3fb1 s THR 74 CO 0.00 0.56 0.02 -0.22 -0.69 0.00 0.00 174.62 174.30 3fb1 s LEU 75 N -0.28 0.55 -1.38 4.42 2.96 -0.21 -0.29 118.68 124.45 3fb1 s LEU 75 Ca 0.02 -0.18 -0.00 0.00 -0.22 0.00 0.00 54.13 53.75 3fb1 s LEU 75 Cb -0.13 -0.39 0.00 0.00 0.50 0.00 0.00 46.19 46.18 3fb1 s LEU 75 CO 0.03 -0.23 0.49 -1.20 -1.32 0.00 0.00 176.35 174.11 3fb1 n SER 76 N 5.17 -0.52 0.00 3.68 7.64 -1.26 -1.14 113.62 127.19 3fb1 n SER 76 Ca -0.06 -0.96 0.00 0.00 1.01 0.00 0.00 58.87 58.85 3fb1 n SER 76 Cb 0.50 -3.30 0.00 0.00 -1.01 0.00 0.00 64.21 60.40 3fb1 n SER 76 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3fb1 n GLY 77 N -1.88 0.51 3.63 0.23 0.00 -1.26 -4.45 105.19 101.97 3fb1 n GLY 77 Ca -0.31 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.38 3fb1 n GLY 77 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3fb1 s ARG 78 N -0.51 2.70 -0.03 1.61 1.81 -0.29 -5.07 118.95 119.16 3fb1 s ARG 78 Ca 0.00 -0.63 -0.30 0.00 -1.72 0.00 0.00 55.73 53.08 3fb1 s ARG 78 Cb 0.00 -2.60 -0.05 0.00 -0.45 0.00 0.00 34.95 31.86 3fb1 s ARG 78 CO 0.00 0.63 1.35 0.15 -0.68 0.00 0.00 175.30 176.75 3fb1 s LYS 79 N -1.30 4.29 0.17 3.54 -0.14 -1.26 -1.04 119.74 124.01 3fb1 s LYS 79 Ca 0.17 1.87 0.08 0.00 -1.36 0.00 0.00 55.97 56.73 3fb1 s LYS 79 Cb -0.11 -3.60 -0.04 0.00 -1.68 0.00 0.00 37.83 32.39 3fb1 s LYS 79 CO 0.07 -0.56 -0.16 0.14 -0.76 0.00 0.00 175.35 174.07 3fb1 s VAL 80 N 2.51 1.74 -0.06 3.17 -7.23 0.33 -0.76 120.40 120.10 3fb1 s VAL 80 Ca 0.61 -1.99 0.03 0.00 -1.81 0.00 0.00 61.98 58.82 3fb1 s VAL 80 Cb -0.29 -1.87 0.01 0.00 0.56 0.00 0.00 36.38 34.79 3fb1 s VAL 80 CO 0.24 -0.42 -0.12 0.54 -0.31 0.00 0.00 175.10 175.03 3fb1 s VAL 81 N -2.36 1.11 -0.10 1.32 0.11 0.64 -2.04 120.40 119.08 3fb1 s VAL 81 Ca 0.17 -0.49 0.03 0.00 -2.93 0.00 0.00 61.98 58.77 3fb1 s VAL 81 Cb -0.04 -1.00 -0.00 0.00 -1.53 0.00 0.00 36.38 33.80 3fb1 s VAL 81 CO 0.06 0.34 -0.22 -0.69 -3.33 0.00 0.00 175.10 171.27 3fb1 s VAL 82 N 0.52 2.29 -0.59 2.04 1.01 0.81 -0.33 120.40 126.14 3fb1 s VAL 82 Ca -0.11 -0.94 -0.24 0.00 0.00 0.00 0.00 61.98 60.69 3fb1 s VAL 82 Cb -0.14 -1.89 0.05 0.00 0.00 0.00 0.00 36.38 34.40 3fb1 s VAL 82 CO 0.03 0.55 0.96 -0.04 0.00 0.00 0.00 175.10 176.60 3fb1 s MET 83 N 0.28 3.25 -0.54 2.72 -1.94 0.83 -0.18 119.30 123.72 3fb1 s MET 83 Ca -0.15 -0.44 -0.23 0.00 -1.71 0.00 0.00 55.69 53.15 3fb1 s MET 83 Cb -0.17 -4.11 0.04 0.00 2.01 0.00 0.00 34.83 32.60 3fb1 s MET 83 CO 0.08 -1.61 0.89 -1.14 -0.01 0.00 0.00 175.02 173.22 3fb1 s GLN 84 N 4.05 3.31 0.00 2.03 0.74 0.15 -3.57 119.66 126.38 3fb1 s GLN 84 Ca 0.28 -0.33 0.00 0.00 0.05 0.00 0.00 55.36 55.36 3fb1 s GLN 84 Cb -0.14 -4.05 0.00 0.00 1.10 0.00 0.00 33.01 29.92 3fb1 s GLN 84 CO 0.16 -1.42 0.00 0.41 -0.55 0.00 0.00 175.29 173.89 3fb1 n GLY 85 N 5.11 0.64 3.89 2.59 0.00 -1.26 -0.40 105.19 115.76 3fb1 n GLY 85 Ca 0.01 -0.98 -0.25 0.00 0.00 0.00 0.00 46.02 44.80 3fb1 n GLY 85 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3fb1 s ARG 86 N -0.88 2.29 -0.22 1.61 1.70 -1.26 -4.82 118.95 117.38 3fb1 s ARG 86 Ca 0.00 -1.93 -0.01 0.00 -0.47 0.00 0.00 55.73 53.32 3fb1 s ARG 86 Cb 0.00 -2.14 0.02 0.00 -0.57 0.00 0.00 34.95 32.26 3fb1 s ARG 86 CO 0.00 -0.51 -0.11 -0.06 -1.08 0.00 0.00 175.30 173.54 3fb1 s PHE 87 N -2.71 2.96 -0.15 5.89 0.08 -1.26 -4.96 117.98 117.83 3fb1 s PHE 87 Ca 0.37 -1.48 -0.06 0.00 0.12 0.00 0.00 56.93 55.88 3fb1 s PHE 87 Cb -0.02 -2.02 -0.04 0.00 -0.57 0.00 0.00 43.02 40.38 3fb1 s PHE 87 CO 0.23 -0.72 0.07 -1.01 -0.10 0.00 0.00 175.22 173.69 3fb1 s HIS 88 N 1.34 3.32 0.41 0.36 3.76 -1.26 -4.91 115.29 118.31 3fb1 s HIS 88 Ca 0.03 0.22 0.09 0.00 -0.15 0.00 0.00 55.06 55.25 3fb1 s HIS 88 Cb -0.15 -1.99 0.86 0.00 1.11 0.00 0.00 32.58 32.42 3fb1 s HIS 88 CO -0.07 0.37 1.99 0.52 -0.85 0.00 0.00 174.74 176.70 3fb1 h MET 89 N 5.95 0.32 0.00 1.40 0.00 -1.87 -1.18 114.93 119.54 3fb1 h MET 89 Ca -0.44 -0.05 0.00 0.00 0.00 0.00 0.00 59.70 59.21 3fb1 h MET 89 Cb 1.19 -0.06 0.00 0.00 0.00 0.00 0.00 31.60 32.73 3fb1 h MET 89 CO 0.64 0.33 0.00 0.10 0.00 0.00 0.00 176.91 177.98 3fb1 h TYR 90 N 0.32 0.00 0.00 -0.22 -0.00 -1.86 0.13 116.97 115.34 3fb1 h TYR 90 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.81 3fb1 h TYR 90 Cb 0.18 0.00 0.00 0.00 0.00 0.00 0.00 36.73 36.91 3fb1 h TYR 90 CO 0.00 0.00 0.00 0.93 -0.00 0.00 0.00 178.16 179.09 3fb1 h GLU 91 N 0.00 0.00 0.00 0.10 4.39 -1.57 -3.45 114.58 114.05 3fb1 h GLU 91 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 3fb1 h GLU 91 Cb 0.09 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.74 3fb1 h GLU 91 CO 0.00 0.00 0.00 0.41 -1.16 0.00 0.00 179.01 178.26 3fb1 n GLY 92 N 0.53 0.75 3.75 -3.84 0.00 0.03 -5.08 105.19 101.33 3fb1 n GLY 92 Ca 0.03 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.67 3fb1 n GLY 92 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3fb1 s TYR 93 N -2.00 2.33 0.67 1.61 2.02 -1.25 -5.01 117.35 115.72 3fb1 s TYR 93 Ca 0.00 1.40 -0.10 0.00 -0.37 0.00 0.00 57.07 58.00 3fb1 s TYR 93 Cb 0.00 -3.74 0.00 0.00 -0.40 0.00 0.00 41.96 37.82 3fb1 s TYR 93 CO 0.00 -2.74 1.05 -1.54 -1.57 0.00 0.00 175.55 170.75 3fb1 s SER 94 N -1.05 5.63 0.20 2.29 1.04 -1.26 -4.81 113.70 115.74 3fb1 s SER 94 Ca 0.72 1.12 -0.11 0.00 0.48 0.00 0.00 55.95 58.17 3fb1 s SER 94 Cb -0.39 -2.01 0.24 0.00 0.10 0.00 0.00 66.02 63.97 3fb1 s SER 94 CO 0.45 -1.20 1.74 0.78 0.98 0.00 0.00 173.24 176.00 3fb1 h ASN 95 N -0.51 0.21 -0.94 7.02 2.35 -1.95 -1.54 115.58 120.22 3fb1 h ASN 95 Ca -0.45 0.07 0.08 0.00 -0.55 0.00 0.00 56.30 55.46 3fb1 h ASN 95 Cb 1.24 0.06 -0.07 0.00 0.05 0.00 0.00 38.32 39.60 3fb1 h ASN 95 CO 0.63 0.13 0.60 0.44 -1.65 0.00 0.00 177.43 177.59 3fb1 h ASP 96 N 0.39 0.90 -0.49 5.81 3.32 -1.89 0.40 116.42 124.87 3fb1 h ASP 96 Ca 0.29 0.02 -0.03 0.00 0.02 0.00 0.00 57.03 57.33 3fb1 h ASP 96 Cb 0.34 -0.17 -0.02 0.00 0.22 0.00 0.00 39.33 39.69 3fb1 h ASP 96 CO -0.29 0.55 0.20 0.74 -1.72 0.00 0.00 179.24 178.72 3fb1 h THR 97 N 1.01 1.21 -0.15 0.35 2.02 -1.58 0.67 112.91 116.43 3fb1 h THR 97 Ca 0.42 -0.64 -0.10 0.00 0.77 0.00 0.00 66.41 66.86 3fb1 h THR 97 Cb 0.30 0.72 0.00 0.00 -1.74 0.00 0.00 68.15 67.43 3fb1 h THR 97 CO -0.18 0.24 -0.30 0.58 0.37 0.00 0.00 175.52 176.23 3fb1 h VAL 98 N 0.65 1.36 -0.51 3.16 2.07 -0.96 -3.31 116.25 118.71 3fb1 h VAL 98 Ca 0.16 -1.57 -0.01 0.00 0.82 0.00 0.00 66.70 66.11 3fb1 h VAL 98 Cb 0.19 2.01 -0.02 0.00 -1.52 0.00 0.00 31.29 31.94 3fb1 h VAL 98 CO -0.01 0.47 0.28 0.00 0.02 0.00 0.00 177.57 178.33 3fb1 h ALA 99 N 0.55 0.65 -0.07 1.67 0.00 -0.07 -3.32 119.26 118.67 3fb1 h ALA 99 Ca 0.00 -0.09 0.03 0.00 0.00 0.00 0.00 54.91 54.85 3fb1 h ALA 99 Cb 0.90 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 18.45 3fb1 h ALA 99 CO 0.07 0.17 -0.13 1.25 0.00 0.00 0.00 179.25 180.61 3fb1 h LEU 100 N 0.68 -0.39 -1.10 0.00 6.46 -0.95 -1.26 115.31 118.76 3fb1 h LEU 100 Ca 0.18 0.07 0.10 0.00 -0.12 0.00 0.00 57.88 58.11 3fb1 h LEU 100 Cb 0.04 0.18 -0.07 0.00 -0.73 0.00 0.00 40.66 40.08 3fb1 h LEU 100 CO -0.03 -0.17 0.61 -0.65 -0.62 0.00 0.00 178.44 177.58 3fb1 h PRO 101 N -0.18 0.95 -0.36 5.25 0.11 -1.72 0.51 132.00 136.56 3fb1 h PRO 101 Ca 0.07 -0.06 -0.09 0.00 0.11 0.00 0.00 66.00 66.03 3fb1 h PRO 101 Cb 0.28 -0.21 -0.02 0.00 0.11 0.00 0.00 31.00 31.16 3fb1 h PRO 101 CO -0.18 0.63 -0.14 0.82 -0.21 0.00 0.00 178.00 178.92 3fb1 h ILE 102 N 0.98 1.25 0.01 4.15 1.08 -1.47 -0.99 117.51 122.52 3fb1 h ILE 102 Ca 0.45 -1.14 -0.22 0.00 -0.39 0.00 0.00 64.86 63.56 3fb1 h ILE 102 Cb 0.40 1.13 -0.03 0.00 -3.07 0.00 0.00 36.82 35.25 3fb1 h ILE 102 CO -0.21 0.38 -1.02 0.03 -0.69 0.00 0.00 178.15 176.64 3fb1 h ARG 103 N 0.58 0.03 -0.22 2.37 3.08 0.06 -1.72 114.38 118.55 3fb1 h ARG 103 Ca 0.10 -0.05 0.02 0.00 0.07 0.00 0.00 59.98 60.12 3fb1 h ARG 103 Cb 0.57 0.02 -0.02 0.00 0.08 0.00 0.00 29.97 30.62 3fb1 h ARG 103 CO 0.04 1.02 0.10 0.28 -1.07 0.00 0.00 179.97 180.34 3fb1 h VAL 104 N 0.01 0.98 -0.66 2.04 2.07 0.10 -1.70 116.25 119.10 3fb1 h VAL 104 Ca -0.02 -0.08 0.09 0.00 0.82 0.00 0.00 66.70 67.52 3fb1 h VAL 104 Cb 1.78 0.74 -0.07 0.00 -1.52 0.00 0.00 31.29 32.22 3fb1 h VAL 104 CO 0.14 0.04 0.29 0.24 0.02 0.00 0.00 177.57 178.29 3fb1 h MET 105 N 0.22 0.48 -0.54 1.57 2.86 -0.97 0.10 114.93 118.66 3fb1 h MET 105 Ca 0.09 -0.03 0.09 0.00 -2.06 0.00 0.00 59.70 57.80 3fb1 h MET 105 Cb 0.03 -0.11 -0.07 0.00 0.06 0.00 0.00 31.60 31.51 3fb1 h MET 105 CO -0.07 0.32 0.11 -0.22 1.06 0.00 0.00 176.91 178.11 3fb1 h LYS 106 N 0.49 0.25 0.00 1.72 1.63 -0.84 -0.32 116.57 119.51 3fb1 h LYS 106 Ca 0.33 -0.01 -0.08 0.00 -0.85 0.00 0.00 60.65 60.03 3fb1 h LYS 106 Cb 0.38 -0.06 -0.01 0.00 -0.60 0.00 0.00 32.23 31.95 3fb1 h LYS 106 CO -0.29 0.16 -0.38 -0.07 -3.45 0.00 0.00 179.45 175.42 3fb1 h LEU 107 N 0.25 0.00 0.00 5.20 3.38 -0.22 -2.24 115.31 121.68 3fb1 h LEU 107 Ca 0.27 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.24 3fb1 h LEU 107 Cb 0.38 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.13 3fb1 h LEU 107 CO -0.35 0.38 0.00 0.18 0.09 0.00 0.00 178.44 178.74 3fb1 n LEU 108 N -3.44 0.00 0.00 1.67 4.77 0.21 -4.88 117.00 115.33 3fb1 n LEU 108 Ca 0.00 0.47 0.00 0.00 -0.03 0.00 0.00 56.01 56.45 3fb1 n LEU 108 Cb 0.55 -0.47 0.00 0.00 -2.33 0.00 0.00 43.42 41.17 3fb1 n LEU 108 CO 0.37 -0.02 0.00 0.61 -1.33 0.00 0.00 177.39 177.02 3fb1 n GLY 109 N 1.33 1.17 3.74 -0.72 0.00 -0.83 -3.65 105.19 106.23 3fb1 n GLY 109 Ca 0.08 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.68 3fb1 n GLY 109 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3fb1 s VAL 110 N -2.00 2.32 -0.07 1.61 1.01 -0.21 -4.31 120.40 118.75 3fb1 s VAL 110 Ca 0.00 0.25 0.09 0.00 0.00 0.00 0.00 61.98 62.32 3fb1 s VAL 110 Cb 0.00 -3.16 -0.13 0.00 0.00 0.00 0.00 36.38 33.09 3fb1 s VAL 110 CO 0.00 0.03 0.10 0.29 0.00 0.00 0.00 175.10 175.52 3fb1 n LYS 111 N 2.98 1.73 -4.02 2.72 4.76 0.19 -4.63 118.16 121.88 3fb1 n LYS 111 Ca 0.11 -0.03 -0.21 0.00 -2.87 0.00 0.00 58.31 55.30 3fb1 n LYS 111 Cb 0.38 -1.24 -0.17 0.00 -1.84 0.00 0.00 35.03 32.16 3fb1 n LYS 111 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 3fb1 s ILE 112 N -2.39 0.51 -0.24 -0.18 1.01 -0.86 -1.20 121.20 117.86 3fb1 s ILE 112 Ca -0.04 -0.06 -0.08 0.00 0.00 0.00 0.00 60.65 60.47 3fb1 s ILE 112 Cb 0.04 -0.58 -0.03 0.00 0.01 0.00 0.00 42.46 41.90 3fb1 s ILE 112 CO 0.40 0.24 0.08 -0.22 0.00 0.00 0.00 174.94 175.45 3fb1 s LEU 113 N 1.29 3.59 -0.21 2.97 2.96 0.20 -0.02 118.68 129.46 3fb1 s LEU 113 Ca -0.05 -0.11 -0.04 0.00 -0.22 0.00 0.00 54.13 53.71 3fb1 s LEU 113 Cb -0.14 -1.95 -0.01 0.00 0.50 0.00 0.00 46.19 44.59 3fb1 s LEU 113 CO -0.02 0.02 -0.04 -0.04 -1.32 0.00 0.00 176.35 174.94 3fb1 s MET 114 N 1.32 3.41 0.01 1.98 -1.94 0.12 -0.39 119.30 123.81 3fb1 s MET 114 Ca 0.05 -0.61 0.06 0.00 -1.71 0.00 0.00 55.69 53.48 3fb1 s MET 114 Cb -0.15 -2.99 -0.02 0.00 2.01 0.00 0.00 34.83 33.69 3fb1 s MET 114 CO 0.04 -0.13 -0.18 0.54 -0.01 0.00 0.00 175.02 175.28 3fb1 s VAL 115 N 1.31 1.46 0.27 -6.03 0.11 0.86 -0.91 120.40 117.46 3fb1 s VAL 115 Ca 0.04 -0.94 0.10 0.00 -2.93 0.00 0.00 61.98 58.25 3fb1 s VAL 115 Cb -0.14 -1.24 -0.05 0.00 -1.53 0.00 0.00 36.38 33.42 3fb1 s VAL 115 CO -0.02 0.28 -0.07 -0.94 -3.33 0.00 0.00 175.10 171.02 3fb1 s SER 116 N -0.76 4.19 0.20 3.54 1.04 -0.15 -0.67 113.70 121.10 3fb1 s SER 116 Ca 0.06 -0.79 -0.18 0.00 0.48 0.00 0.00 55.95 55.52 3fb1 s SER 116 Cb -0.08 -0.64 0.03 0.00 0.10 0.00 0.00 66.02 65.43 3fb1 s SER 116 CO 0.00 0.01 0.55 0.54 0.98 0.00 0.00 173.24 175.32 3fb1 s ASN 117 N -3.62 -0.29 -0.16 7.02 2.20 -0.62 -2.76 114.94 116.71 3fb1 s ASN 117 Ca 0.31 -0.45 -0.13 0.00 -0.94 0.00 0.00 52.86 51.65 3fb1 s ASN 117 Cb -0.06 0.60 -0.05 0.00 -2.00 0.00 0.00 41.25 39.74 3fb1 s ASN 117 CO 0.18 -1.08 0.27 0.00 -2.94 0.00 0.00 177.10 173.53 3fb1 s ALA 118 N -3.87 3.61 0.05 3.54 0.00 -1.26 -0.10 121.76 123.73 3fb1 s ALA 118 Ca 0.09 -0.48 0.03 0.00 0.00 0.00 0.00 51.96 51.59 3fb1 s ALA 118 Cb -0.02 -2.35 -0.02 0.00 0.00 0.00 0.00 23.12 20.73 3fb1 s ALA 118 CO -0.03 0.12 -0.09 0.00 0.00 0.00 0.00 175.76 175.77 3fb1 s ALA 119 N 0.38 0.65 0.16 0.00 0.00 -0.17 -4.72 121.76 118.07 3fb1 s ALA 119 Ca 0.15 -0.80 -0.30 0.00 0.00 0.00 0.00 51.96 51.01 3fb1 s ALA 119 Cb -0.13 0.03 -0.07 0.00 0.00 0.00 0.00 23.12 22.95 3fb1 s ALA 119 CO 0.03 -0.00 1.13 0.20 0.00 0.00 0.00 175.76 177.12 3fb1 s GLY 120 N -1.62 2.76 -0.53 0.00 0.00 0.61 -1.39 107.32 107.15 3fb1 s GLY 120 Ca -0.09 0.85 -0.24 0.00 0.00 0.00 0.00 44.72 45.24 3fb1 s GLY 120 CO 0.01 1.75 0.93 -0.32 0.00 0.00 0.00 173.10 175.46 3fb1 s GLY 121 N 0.10 1.43 -0.17 0.20 0.00 0.22 -1.20 107.32 107.91 3fb1 s GLY 121 Ca 0.51 -1.16 -0.26 0.00 0.00 0.00 0.00 44.72 43.82 3fb1 s GLY 121 CO 0.35 2.03 0.55 1.41 0.00 0.00 0.00 173.10 177.43 3fb1 h LEU 122 N 10.84 0.00 -9.46 0.66 3.38 -1.04 0.44 115.31 120.13 3fb1 h LEU 122 Ca -0.26 -0.80 -0.60 0.00 0.09 0.00 0.00 57.88 56.31 3fb1 h LEU 122 Cb 1.07 0.00 0.06 0.00 0.09 0.00 0.00 40.66 41.88 3fb1 h LEU 122 CO 1.07 1.19 0.75 -3.20 0.09 0.00 0.00 178.44 178.33 3fb1 n ASN 123 N -4.54 2.87 0.07 -0.43 2.85 -0.30 -4.83 115.26 110.94 3fb1 n ASN 123 Ca -0.18 1.09 0.12 0.00 -0.11 0.00 0.00 54.58 55.49 3fb1 n ASN 123 Cb 0.55 -1.39 0.46 0.00 1.24 0.00 0.00 39.78 40.64 3fb1 n ASN 123 CO 0.00 0.00 0.00 0.54 -2.11 0.00 0.00 177.26 175.69 3fb1 n ARG 124 N 3.33 0.13 0.00 1.20 5.12 -1.26 -1.87 116.66 123.31 3fb1 n ARG 124 Ca 0.17 0.24 0.13 0.00 -1.93 0.00 0.00 57.85 56.46 3fb1 n ARG 124 Cb 0.27 -1.69 0.45 0.00 -1.16 0.00 0.00 32.46 30.33 3fb1 n ARG 124 CO 0.00 0.00 0.00 -1.13 -1.93 0.00 0.00 177.63 174.57 3fb1 n SER 125 N -1.92 0.42 -4.76 0.55 3.41 -1.26 -4.88 113.62 105.18 3fb1 n SER 125 Ca 0.04 -0.21 -0.40 0.00 -0.26 0.00 0.00 58.87 58.05 3fb1 n SER 125 Cb 0.29 -0.03 -0.04 0.00 -0.26 0.00 0.00 64.21 64.17 3fb1 n SER 125 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 3fb1 s LEU 126 N -2.82 4.53 0.09 1.04 1.43 -0.78 -5.05 118.68 117.12 3fb1 s LEU 126 Ca 0.18 2.32 0.05 0.00 -1.03 0.00 0.00 54.13 55.65 3fb1 s LEU 126 Cb 0.19 -3.64 -0.04 0.00 0.03 0.00 0.00 46.19 42.73 3fb1 s LEU 126 CO 0.58 -0.20 -0.01 -0.54 0.23 0.00 0.00 176.35 176.41 3fb1 s LYS 127 N -1.51 2.52 0.25 1.70 1.02 -1.26 -5.03 119.74 117.43 3fb1 s LYS 127 Ca 0.45 -0.84 -0.29 0.00 0.02 0.00 0.00 55.97 55.31 3fb1 s LYS 127 Cb -0.33 -2.53 -0.15 0.00 -0.52 0.00 0.00 37.83 34.31 3fb1 s LYS 127 CO 0.42 0.54 0.99 -0.11 -0.92 0.00 0.00 175.35 176.28 3fb1 n LEU 128 N 0.62 1.39 0.00 3.17 7.94 -1.26 -1.09 117.00 127.77 3fb1 n LEU 128 Ca -0.11 1.17 0.00 0.00 -1.11 0.00 0.00 56.01 55.95 3fb1 n LEU 128 Cb 0.52 -1.23 0.00 0.00 0.53 0.00 0.00 43.42 43.24 3fb1 n LEU 128 CO 0.38 -1.56 0.00 0.61 -1.11 0.00 0.00 177.39 175.72 3fb1 n GLY 129 N 1.49 1.35 3.73 -3.96 0.00 0.83 -5.01 105.19 103.62 3fb1 n GLY 129 Ca 0.12 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.82 3fb1 n GLY 129 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3fb1 s ASP 130 N -3.18 4.11 -0.18 1.61 1.01 -0.25 -4.73 116.67 115.07 3fb1 s ASP 130 Ca 0.00 2.06 -0.06 0.00 0.71 0.00 0.00 52.55 55.26 3fb1 s ASP 130 Cb 0.00 -2.55 -0.03 0.00 1.01 0.00 0.00 42.92 41.34 3fb1 s ASP 130 CO 0.00 -2.30 0.02 -0.36 0.21 0.00 0.00 175.17 172.74 3fb1 s PHE 131 N -2.55 3.15 -0.38 4.23 0.40 -0.02 -0.50 117.98 122.32 3fb1 s PHE 131 Ca 0.66 -0.12 -0.02 0.00 -0.60 0.00 0.00 56.93 56.86 3fb1 s PHE 131 Cb -0.22 -2.05 0.10 0.00 0.51 0.00 0.00 43.02 41.36 3fb1 s PHE 131 CO 0.52 0.03 0.14 0.08 0.70 0.00 0.00 175.22 176.69 3fb1 s VAL 132 N 0.48 3.08 0.19 -0.44 1.01 0.12 0.15 120.40 125.00 3fb1 s VAL 132 Ca 0.01 -1.95 -0.32 0.00 0.00 0.00 0.00 61.98 59.72 3fb1 s VAL 132 Cb -0.13 -3.06 -0.12 0.00 0.00 0.00 0.00 36.38 33.07 3fb1 s VAL 132 CO 0.02 -0.55 1.76 -0.38 0.00 0.00 0.00 175.10 175.94 3fb1 n ILE 133 N 4.55 0.09 -2.46 2.22 5.41 0.98 -0.25 119.36 129.90 3fb1 n ILE 133 Ca -0.04 -0.02 -0.42 0.00 1.00 0.00 0.00 62.75 63.27 3fb1 n ILE 133 Cb 0.42 -2.04 -0.03 0.00 -0.71 0.00 0.00 39.64 37.29 3fb1 n ILE 133 CO 0.00 0.00 0.00 -0.76 0.00 0.00 0.00 176.55 175.79 3fb1 s LEU 134 N 1.54 4.30 -0.00 1.39 1.02 0.11 -0.61 118.68 126.43 3fb1 s LEU 134 Ca 0.77 1.86 0.06 0.00 0.02 0.00 0.00 54.13 56.83 3fb1 s LEU 134 Cb -0.49 -3.56 -0.08 0.00 0.02 0.00 0.00 46.19 42.08 3fb1 s LEU 134 CO 0.33 -0.55 0.23 2.29 0.02 0.00 0.00 176.35 178.67 3fb1 n LYS 135 N 4.88 3.51 -3.81 1.70 2.85 -0.42 -4.61 118.16 122.27 3fb1 n LYS 135 Ca 0.10 -0.02 -0.05 0.00 -1.05 0.00 0.00 58.31 57.30 3fb1 n LYS 135 Cb 0.46 -0.90 -0.00 0.00 -0.65 0.00 0.00 35.03 33.94 3fb1 n LYS 135 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 177.40 177.69 3fb1 s ASP 136 N -1.93 -0.12 0.10 -5.58 -1.08 -1.23 -4.45 116.67 102.37 3fb1 s ASP 136 Ca 0.01 -0.59 -0.09 0.00 -0.52 0.00 0.00 52.55 51.36 3fb1 s ASP 136 Cb 0.04 0.57 -0.00 0.00 -1.46 0.00 0.00 42.92 42.08 3fb1 s ASP 136 CO 0.26 -1.09 0.20 -1.38 0.52 0.00 0.00 175.17 173.68 3fb1 s HIS 137 N -3.00 0.16 -0.22 -5.34 -3.43 -1.26 -1.99 115.29 100.21 3fb1 s HIS 137 Ca 0.15 -0.59 0.02 0.00 -0.80 0.00 0.00 55.06 53.84 3fb1 s HIS 137 Cb -0.03 -0.05 0.04 0.00 -1.43 0.00 0.00 32.58 31.11 3fb1 s HIS 137 CO 0.05 -0.56 -0.14 0.42 -2.00 0.00 0.00 174.74 172.51 3fb1 s ILE 138 N -3.87 2.02 -1.16 -5.38 1.01 0.23 -4.90 121.20 109.15 3fb1 s ILE 138 Ca 0.06 -1.25 -0.09 0.00 0.00 0.00 0.00 60.65 59.36 3fb1 s ILE 138 Cb 0.05 -2.01 0.24 0.00 0.01 0.00 0.00 42.46 40.75 3fb1 s ILE 138 CO -0.10 0.22 1.40 0.00 0.00 0.00 0.00 174.94 176.45 3fb1 n TYR 139 N 4.55 4.15 -0.20 3.97 -0.00 -1.26 -2.16 117.16 126.21 3fb1 n TYR 139 Ca -0.17 -3.30 0.00 0.00 -0.00 0.00 0.00 57.90 54.44 3fb1 n TYR 139 Cb 0.46 -1.76 0.11 0.00 -0.00 0.00 0.00 39.34 38.15 3fb1 n TYR 139 CO 0.00 0.00 0.00 -0.07 -0.00 0.00 0.00 176.86 176.79 3fb1 h LEU 140 N 7.30 0.14 -1.09 2.98 3.38 -1.96 0.29 115.31 126.34 3fb1 h LEU 140 Ca 0.25 0.09 0.01 0.00 0.09 0.00 0.00 57.88 58.33 3fb1 h LEU 140 Cb 0.77 0.10 -0.05 0.00 0.09 0.00 0.00 40.66 41.57 3fb1 h LEU 140 CO 1.24 0.08 0.61 -0.65 0.09 0.00 0.00 178.44 179.82 3fb1 h PRO 141 N 0.35 1.21 -0.39 1.13 0.11 -1.89 -1.95 132.00 130.56 3fb1 h PRO 141 Ca 0.31 -0.07 -0.01 0.00 0.11 0.00 0.00 66.00 66.34 3fb1 h PRO 141 Cb 0.42 -0.27 -0.02 0.00 0.11 0.00 0.00 31.00 31.24 3fb1 h PRO 141 CO -0.34 0.80 0.20 0.78 -0.21 0.00 0.00 178.00 179.22 3fb1 h GLY 142 N 1.25 0.60 1.91 -0.55 0.00 -0.75 0.56 103.07 106.09 3fb1 h GLY 142 Ca 0.34 -0.29 -0.05 0.00 0.00 0.00 0.00 47.33 47.33 3fb1 h GLY 142 CO -0.08 0.28 -0.17 1.41 0.00 0.00 0.00 176.54 177.98 3fb1 h LEU 143 N 0.50 0.10 -2.79 3.11 3.38 -0.64 -2.88 115.31 116.08 3fb1 h LEU 143 Ca 0.14 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.09 3fb1 h LEU 143 Cb 0.10 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 40.82 3fb1 h LEU 143 CO -0.02 0.29 0.00 0.61 0.09 0.00 0.00 178.44 179.41 3fb1 n GLY 144 N -0.91 2.48 1.66 0.83 0.00 -0.75 -4.88 105.19 103.62 3fb1 n GLY 144 Ca -0.02 -0.67 0.00 0.00 0.00 0.00 0.00 46.02 45.33 3fb1 n GLY 144 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 3fb1 n LEU 145 N 0.54 0.00 -1.22 0.99 7.94 -1.00 -4.92 117.00 119.33 3fb1 n LEU 145 Ca 0.20 0.00 -0.07 0.00 -1.11 0.00 0.00 56.01 55.04 3fb1 n LEU 145 Cb 0.89 -0.41 0.15 0.00 0.53 0.00 0.00 43.42 44.58 3fb1 n LEU 145 CO 0.23 0.00 0.47 0.59 -1.11 0.00 0.00 177.39 177.57 3fb1 n ASN 146 N 1.55 3.03 -4.74 1.96 3.02 0.19 -5.01 115.26 115.26 3fb1 n ASN 146 Ca 0.00 -3.83 -0.42 0.00 -0.03 0.00 0.00 54.58 50.30 3fb1 n ASN 146 Cb 0.00 -0.54 -0.02 0.00 -0.61 0.00 0.00 39.78 38.61 3fb1 n ASN 146 CO 0.00 0.00 0.00 0.21 -2.62 0.00 0.00 177.26 174.85 3fb1 s ASN 147 N -3.05 6.52 0.58 6.41 3.84 -1.22 -4.25 114.94 123.77 3fb1 s ASN 147 Ca 0.45 2.79 0.28 0.00 0.21 0.00 0.00 52.86 56.59 3fb1 s ASN 147 Cb 0.40 -2.62 1.50 0.00 -0.55 0.00 0.00 41.25 39.98 3fb1 s ASN 147 CO -0.02 -0.82 1.95 -0.29 -2.79 0.00 0.00 177.10 175.13 3fb1 h ILE 148 N 3.54 0.44 -0.01 -5.21 2.10 -1.93 -0.65 117.51 115.79 3fb1 h ILE 148 Ca -0.46 0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.48 3fb1 h ILE 148 Cb 1.22 0.67 0.00 0.00 -1.09 0.00 0.00 36.82 37.62 3fb1 h ILE 148 CO 0.81 0.00 -0.17 0.18 -1.08 0.00 0.00 178.15 177.88 3fb1 n LEU 149 N -3.84 0.72 -4.67 2.19 4.77 -1.26 -4.82 117.00 110.09 3fb1 n LEU 149 Ca 0.08 -0.11 -0.45 0.00 -0.03 0.00 0.00 56.01 55.50 3fb1 n LEU 149 Cb 0.61 -0.16 -0.02 0.00 -2.33 0.00 0.00 43.42 41.51 3fb1 n LEU 149 CO 0.29 0.13 0.98 0.52 -1.33 0.00 0.00 177.39 177.99 3fb1 n VAL 150 N -0.81 1.08 0.00 4.08 0.31 -0.25 -4.71 118.33 118.02 3fb1 n VAL 150 Ca 0.13 -0.27 0.00 0.00 -0.01 0.00 0.00 64.34 64.19 3fb1 n VAL 150 Cb 0.31 -1.45 0.00 0.00 -0.91 0.00 0.00 33.84 31.79 3fb1 n VAL 150 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3fb1 n GLY 151 N 1.99 0.84 3.62 2.92 0.00 -1.26 -5.03 105.19 108.27 3fb1 n GLY 151 Ca 0.11 -2.30 -0.48 0.00 0.00 0.00 0.00 46.02 43.35 3fb1 n GLY 151 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3fb1 n PRO 152 N -0.87 1.57 -2.41 1.61 -0.02 -1.26 -4.91 135.00 128.71 3fb1 n PRO 152 Ca 0.00 0.56 -0.41 0.00 -2.02 0.00 0.00 63.50 61.64 3fb1 n PRO 152 Cb 0.00 -2.17 -0.04 0.00 -0.02 0.00 0.00 33.50 31.27 3fb1 n PRO 152 CO 0.00 0.00 0.00 1.21 1.98 0.00 0.00 175.50 178.69 3fb1 s ASN 153 N 0.30 7.17 -0.56 2.55 2.47 -1.26 -4.98 114.94 120.63 3fb1 s ASN 153 Ca 0.74 2.30 -0.18 0.00 0.42 0.00 0.00 52.86 56.15 3fb1 s ASN 153 Cb -0.78 -2.62 0.10 0.00 -1.45 0.00 0.00 41.25 36.49 3fb1 s ASN 153 CO 0.48 -0.24 0.63 -1.10 -3.72 0.00 0.00 177.10 173.16 3fb1 s GLN 154 N -1.20 3.04 0.37 0.43 -1.52 -1.26 -4.92 119.66 114.61 3fb1 s GLN 154 Ca 0.47 -1.34 0.10 0.00 -1.95 0.00 0.00 55.36 52.65 3fb1 s GLN 154 Cb -0.33 -4.24 0.73 0.00 -0.22 0.00 0.00 33.01 28.95 3fb1 s GLN 154 CO 0.41 -1.42 1.86 0.93 -0.25 0.00 0.00 175.29 176.82 3fb1 h GLU 155 N 9.08 0.14 -0.43 2.91 5.08 -1.94 -0.97 114.58 128.44 3fb1 h GLU 155 Ca -0.29 -0.04 0.12 0.00 -1.00 0.00 0.00 59.36 58.15 3fb1 h GLU 155 Cb 1.09 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 30.31 3fb1 h GLU 155 CO 1.06 0.40 0.33 0.00 -1.00 0.00 0.00 179.01 179.79 3fb1 h ALA 156 N 1.61 2.36 0.02 3.43 0.00 -2.01 -3.14 119.26 121.53 3fb1 h ALA 156 Ca 0.02 -0.02 -0.38 0.00 0.00 0.00 0.00 54.91 54.53 3fb1 h ALA 156 Cb 0.54 0.03 -0.06 0.00 0.00 0.00 0.00 17.79 18.30 3fb1 h ALA 156 CO 0.04 -0.55 -2.38 1.19 0.00 0.00 0.00 179.25 177.55 3fb1 n PHE 157 N -4.30 0.23 -3.66 0.00 3.72 -0.44 -5.10 117.46 107.92 3fb1 n PHE 157 Ca 0.07 0.05 -0.01 0.00 -0.05 0.00 0.00 57.45 57.51 3fb1 n PHE 157 Cb 0.52 -1.03 0.01 0.00 -0.94 0.00 0.00 39.48 38.04 3fb1 n PHE 157 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3fb1 n GLY 158 N 2.17 0.94 3.92 1.37 0.00 -0.81 -3.86 105.19 108.93 3fb1 n GLY 158 Ca -0.42 -1.02 -0.26 0.00 0.00 0.00 0.00 46.02 44.33 3fb1 n GLY 158 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3fb1 s THR 159 N -2.32 5.03 0.17 2.61 -1.32 -1.26 -4.20 115.64 114.35 3fb1 s THR 159 Ca 0.11 -0.17 -0.14 0.00 -1.21 0.00 0.00 61.69 60.27 3fb1 s THR 159 Cb -0.01 -3.85 0.05 0.00 -1.51 0.00 0.00 72.50 67.19 3fb1 s THR 159 CO 0.02 -0.62 1.78 -0.09 -2.21 0.00 0.00 174.62 173.50 3fb1 h ARG 160 N 0.71 0.43 -3.27 7.08 9.65 -1.96 -3.34 114.38 123.68 3fb1 h ARG 160 Ca -0.49 -0.03 -0.65 0.00 -1.10 0.00 0.00 59.98 57.72 3fb1 h ARG 160 Cb 1.21 -0.10 -0.39 0.00 -1.39 0.00 0.00 29.97 29.30 3fb1 h ARG 160 CO 0.62 0.29 -0.45 -0.06 2.80 0.00 0.00 179.97 183.16 3fb1 s PHE 161 N -6.14 3.53 0.28 2.20 0.08 -1.26 -5.01 117.98 111.66 3fb1 s PHE 161 Ca -0.13 -3.16 -0.30 0.00 0.12 0.00 0.00 56.93 53.47 3fb1 s PHE 161 Cb 0.13 -2.92 -0.10 0.00 -0.57 0.00 0.00 43.02 39.56 3fb1 s PHE 161 CO 0.73 -0.67 1.44 -2.14 -0.10 0.00 0.00 175.22 174.48 3fb1 s PRO 162 N -0.99 4.24 0.49 0.24 0.02 -1.26 -5.00 135.00 132.75 3fb1 s PRO 162 Ca 0.23 2.36 -0.11 0.00 0.02 0.00 0.00 61.00 63.49 3fb1 s PRO 162 Cb -0.12 -3.07 -0.06 0.00 0.02 0.00 0.00 34.50 31.27 3fb1 s PRO 162 CO -0.10 -0.42 0.88 0.00 -0.33 0.00 0.00 177.00 177.02 3fb1 s ALA 163 N -0.33 3.24 -0.15 -1.55 0.00 -1.26 -5.00 121.76 116.71 3fb1 s ALA 163 Ca 0.57 -0.13 0.15 0.00 0.00 0.00 0.00 51.96 52.55 3fb1 s ALA 163 Cb -0.43 -2.87 0.34 0.00 0.00 0.00 0.00 23.12 20.17 3fb1 s ALA 163 CO 0.48 -0.25 1.18 1.28 0.00 0.00 0.00 175.76 178.44 3fb1 n LEU 164 N -1.80 2.32 0.15 0.00 4.77 -1.26 -4.90 117.00 116.27 3fb1 n LEU 164 Ca 0.04 -3.30 -0.14 0.00 -0.03 0.00 0.00 56.01 52.58 3fb1 n LEU 164 Cb 0.54 -0.43 -0.08 0.00 -2.33 0.00 0.00 43.42 41.13 3fb1 n LEU 164 CO 0.50 1.00 0.79 0.77 -1.33 0.00 0.00 177.39 179.12 3fb1 h SER 165 N 0.53 -0.25 -1.12 -1.43 4.64 -2.01 -2.53 113.55 111.38 3fb1 h SER 165 Ca -0.01 -0.01 -0.64 0.00 -0.47 0.00 0.00 61.79 60.67 3fb1 h SER 165 Cb 1.07 0.06 -0.35 0.00 -0.31 0.00 0.00 62.40 62.87 3fb1 h SER 165 CO 0.01 -0.16 0.10 -3.20 -0.87 0.00 0.00 176.83 172.70 3fb1 n ASN 166 N -5.21 6.32 -0.29 4.97 4.05 -1.26 -4.77 115.26 119.07 3fb1 n ASN 166 Ca -0.09 -3.77 0.03 0.00 0.45 0.00 0.00 54.58 51.19 3fb1 n ASN 166 Cb 0.15 -0.70 0.16 0.00 1.23 0.00 0.00 39.78 40.62 3fb1 n ASN 166 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 3fb1 h ALA 167 N 2.28 1.16 -2.49 5.20 0.00 -1.78 -3.21 119.26 120.42 3fb1 h ALA 167 Ca 0.48 0.03 -0.76 0.00 0.00 0.00 0.00 54.91 54.66 3fb1 h ALA 167 Cb 0.97 -0.14 -0.23 0.00 0.00 0.00 0.00 17.79 18.39 3fb1 h ALA 167 CO 1.18 0.10 0.25 0.71 0.00 0.00 0.00 179.25 181.50 3fb1 s TYR 168 N -6.04 3.52 -0.38 0.00 1.51 -1.26 -4.01 117.35 110.70 3fb1 s TYR 168 Ca -0.12 -1.72 -0.42 0.00 -1.01 0.00 0.00 57.07 53.80 3fb1 s TYR 168 Cb 0.19 -3.94 -0.16 0.00 -0.11 0.00 0.00 41.96 37.93 3fb1 s TYR 168 CO 0.78 -1.14 1.84 -3.47 -1.11 0.00 0.00 175.55 172.46 3fb1 n ASP 169 N 4.85 1.83 0.21 2.29 2.03 -0.59 -4.78 116.55 122.40 3fb1 n ASP 169 Ca 0.13 0.94 0.04 0.00 0.52 0.00 0.00 54.79 56.42 3fb1 n ASP 169 Cb 0.47 -1.06 0.46 0.00 -0.72 0.00 0.00 41.12 40.26 3fb1 n ASP 169 CO 0.00 0.00 0.00 0.08 -1.92 0.00 0.00 177.20 175.36 3fb1 h ARG 170 N 7.79 0.00 -0.28 -0.67 0.11 -1.90 -0.97 114.38 118.46 3fb1 h ARG 170 Ca -0.37 0.00 -0.16 0.00 0.10 0.00 0.00 59.98 59.54 3fb1 h ARG 170 Cb 1.35 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 32.42 3fb1 h ARG 170 CO 1.00 0.24 -0.49 -0.44 0.10 0.00 0.00 179.97 180.38 3fb1 h ASP 171 N 0.00 0.83 -0.59 0.08 3.32 -1.98 0.80 116.42 118.88 3fb1 h ASP 171 Ca -0.00 -0.42 -0.09 0.00 0.02 0.00 0.00 57.03 56.54 3fb1 h ASP 171 Cb 0.43 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 39.73 3fb1 h ASP 171 CO 0.03 1.17 0.02 -0.07 -1.72 0.00 0.00 179.24 178.67 3fb1 h LEU 172 N 0.60 1.01 -0.27 1.55 3.38 -1.68 -0.21 115.31 119.68 3fb1 h LEU 172 Ca 0.03 -0.30 0.00 0.00 0.09 0.00 0.00 57.88 57.70 3fb1 h LEU 172 Cb 1.06 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 41.52 3fb1 h LEU 172 CO 0.10 1.06 0.18 0.03 0.09 0.00 0.00 178.44 179.90 3fb1 h ARG 173 N 0.93 0.36 -0.32 1.13 3.08 -1.03 0.24 114.38 118.76 3fb1 h ARG 173 Ca 0.17 -0.02 0.03 0.00 0.07 0.00 0.00 59.98 60.22 3fb1 h ARG 173 Cb 0.53 -0.08 -0.03 0.00 0.08 0.00 0.00 29.97 30.47 3fb1 h ARG 173 CO 0.03 0.25 0.14 -0.22 -1.07 0.00 0.00 179.97 179.10 3fb1 h LYS 174 N 0.37 0.29 -0.92 0.04 3.64 -0.69 -1.07 116.57 118.24 3fb1 h LYS 174 Ca 0.10 -0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.45 3fb1 h LYS 174 Cb -0.03 -0.07 -0.04 0.00 -0.41 0.00 0.00 32.23 31.68 3fb1 h LYS 174 CO -0.02 0.20 0.53 1.25 -2.27 0.00 0.00 179.45 179.13 3fb1 h LEU 175 N 0.30 1.13 -0.54 5.20 5.85 -0.69 -1.11 115.31 125.46 3fb1 h LEU 175 Ca 0.14 -0.08 -0.07 0.00 0.84 0.00 0.00 57.88 58.70 3fb1 h LEU 175 Cb 0.07 -0.29 -0.02 0.00 0.37 0.00 0.00 40.66 40.80 3fb1 h LEU 175 CO -0.11 0.89 0.05 0.00 -0.34 0.00 0.00 178.44 178.92 3fb1 h ALA 176 N 1.30 0.72 -0.46 1.25 0.00 0.06 -0.95 119.26 121.18 3fb1 h ALA 176 Ca 0.33 -0.27 -0.09 0.00 0.00 0.00 0.00 54.91 54.88 3fb1 h ALA 176 Cb -0.01 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.56 3fb1 h ALA 176 CO -0.06 0.50 -0.05 0.28 0.00 0.00 0.00 179.25 179.92 3fb1 h VAL 177 N 0.80 1.27 -0.30 0.00 2.07 -0.92 -1.09 116.25 118.08 3fb1 h VAL 177 Ca 0.16 -1.14 -0.02 0.00 0.82 0.00 0.00 66.70 66.53 3fb1 h VAL 177 Cb 0.46 1.07 -0.01 0.00 -1.52 0.00 0.00 31.29 31.29 3fb1 h VAL 177 CO 0.02 0.39 0.12 1.56 0.02 0.00 0.00 177.57 179.68 3fb1 h GLN 178 N 0.69 0.44 -0.31 1.57 4.20 -1.03 0.12 115.11 120.79 3fb1 h GLN 178 Ca 0.12 -0.08 0.05 0.00 0.06 0.00 0.00 58.65 58.80 3fb1 h GLN 178 Cb 0.57 -0.07 -0.04 0.00 0.30 0.00 0.00 27.48 28.24 3fb1 h GLN 178 CO 0.03 0.45 0.06 0.28 -0.67 0.00 0.00 178.83 178.98 3fb1 h VAL 179 N 0.33 0.84 -0.23 -0.54 2.07 -1.07 0.20 116.25 117.85 3fb1 h VAL 179 Ca 0.10 -0.06 0.01 0.00 0.82 0.00 0.00 66.70 67.57 3fb1 h VAL 179 Cb 0.17 0.66 -0.02 0.00 -1.52 0.00 0.00 31.29 30.59 3fb1 h VAL 179 CO -0.01 0.03 0.13 0.00 0.02 0.00 0.00 177.57 177.74 3fb1 h ALA 180 N 1.23 0.28 -0.35 1.67 0.00 -1.02 -1.25 119.26 119.82 3fb1 h ALA 180 Ca 0.15 -0.00 0.04 0.00 0.00 0.00 0.00 54.91 55.09 3fb1 h ALA 180 Cb 0.16 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 17.85 3fb1 h ALA 180 CO -0.20 -0.27 0.13 0.93 0.00 0.00 0.00 179.25 179.84 3fb1 h GLU 181 N 0.27 0.27 0.00 0.00 4.39 -0.21 -1.47 114.58 117.84 3fb1 h GLU 181 Ca 0.09 -0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.77 3fb1 h GLU 181 Cb -0.00 -0.06 0.00 0.00 -0.10 0.00 0.00 28.75 28.59 3fb1 h GLU 181 CO -0.04 0.18 0.00 1.05 -1.16 0.00 0.00 179.01 179.04 3fb1 h GLU 182 N 0.28 0.00 -0.53 2.33 4.11 -0.45 -3.02 114.58 117.31 3fb1 h GLU 182 Ca 0.16 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.59 3fb1 h GLU 182 Cb 0.13 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.38 3fb1 h GLU 182 CO -0.16 0.00 0.00 0.09 0.07 0.00 0.00 179.01 179.01 3fb1 n ASN 183 N -2.72 4.50 0.00 3.06 4.13 -0.49 -4.95 115.26 118.79 3fb1 n ASN 183 Ca 0.03 -2.56 0.00 0.00 1.68 0.00 0.00 54.58 53.73 3fb1 n ASN 183 Cb 0.39 -0.54 0.00 0.00 -1.54 0.00 0.00 39.78 38.09 3fb1 n ASN 183 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3fb1 n GLY 184 N 0.68 0.78 0.69 7.41 0.00 -0.95 -4.92 105.19 108.88 3fb1 n GLY 184 Ca 0.23 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.31 3fb1 n GLY 184 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 3fb1 n PHE 185 N -2.00 0.00 0.24 1.61 1.16 -0.62 -4.72 117.46 113.13 3fb1 n PHE 185 Ca 0.00 -1.31 0.08 0.00 -1.87 0.00 0.00 57.45 54.35 3fb1 n PHE 185 Cb 0.00 -0.23 0.59 0.00 -1.61 0.00 0.00 39.48 38.23 3fb1 n PHE 185 CO 0.00 0.00 0.00 0.78 -1.87 0.00 0.00 176.76 175.67 3fb1 h GLY 186 N 0.92 0.00 2.00 4.97 0.00 -1.69 -1.63 103.07 107.64 3fb1 h GLY 186 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.30 3fb1 h GLY 186 CO 0.01 0.00 0.00 3.45 0.00 0.00 0.00 176.54 180.00 3fb1 h ASN 187 N 0.00 0.00 1.63 0.19 -1.07 -1.90 -2.09 115.58 112.35 3fb1 h ASN 187 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.37 3fb1 h ASN 187 Cb 0.28 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.53 3fb1 h ASN 187 CO 0.02 0.00 -0.08 -0.07 0.07 0.00 0.00 177.43 177.37 3fb1 h LEU 188 N 0.00 0.00 -9.11 6.14 3.38 -1.66 -3.46 115.31 110.59 3fb1 h LEU 188 Ca 0.00 -0.01 -0.61 0.00 0.09 0.00 0.00 57.88 57.34 3fb1 h LEU 188 Cb 0.52 0.00 -0.15 0.00 0.09 0.00 0.00 40.66 41.12 3fb1 h LEU 188 CO 0.00 0.01 -0.55 -0.69 0.09 0.00 0.00 178.44 177.30 3fb1 s VAL 189 N -3.16 4.89 0.32 1.22 1.01 -0.79 -0.84 120.40 123.05 3fb1 s VAL 189 Ca 0.08 0.00 0.04 0.00 0.00 0.00 0.00 61.98 62.11 3fb1 s VAL 189 Cb 0.09 -3.21 -0.06 0.00 0.00 0.00 0.00 36.38 33.20 3fb1 s VAL 189 CO 0.64 0.45 0.05 -1.00 0.00 0.00 0.00 175.10 175.25 3fb1 s HIS 190 N 0.40 1.94 0.07 5.22 3.76 0.12 -4.98 115.29 121.83 3fb1 s HIS 190 Ca 0.04 -0.95 0.09 0.00 -0.15 0.00 0.00 55.06 54.09 3fb1 s HIS 190 Cb -0.12 -1.25 -0.03 0.00 1.11 0.00 0.00 32.58 32.28 3fb1 s HIS 190 CO -0.00 0.01 -0.24 -0.65 -0.85 0.00 0.00 174.74 173.01 3fb1 s GLN 191 N -3.89 1.48 0.20 1.40 -0.21 -1.26 -0.01 119.66 117.37 3fb1 s GLN 191 Ca 0.36 -1.12 -0.18 0.00 0.02 0.00 0.00 55.36 54.44 3fb1 s GLN 191 Cb 0.08 -1.73 0.06 0.00 1.00 0.00 0.00 33.01 32.43 3fb1 s GLN 191 CO 0.15 0.43 0.87 0.41 -2.12 0.00 0.00 175.29 175.03 3fb1 n GLY 192 N 1.50 0.76 3.66 3.09 0.00 0.22 -4.88 105.19 109.54 3fb1 n GLY 192 Ca -0.18 -1.14 -0.37 0.00 0.00 0.00 0.00 46.02 44.33 3fb1 n GLY 192 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3fb1 s VAL 193 N -2.14 5.33 -0.18 1.61 1.01 -1.26 -1.30 120.40 123.46 3fb1 s VAL 193 Ca 0.19 0.28 -0.11 0.00 0.00 0.00 0.00 61.98 62.33 3fb1 s VAL 193 Cb -0.03 -3.54 -0.05 0.00 0.00 0.00 0.00 36.38 32.76 3fb1 s VAL 193 CO 0.06 0.33 0.20 -0.47 0.00 0.00 0.00 175.10 175.21 3fb1 s TYR 194 N 1.11 3.44 -0.12 5.22 6.14 -0.84 -0.33 117.35 131.96 3fb1 s TYR 194 Ca 0.10 0.44 -0.02 0.00 0.64 0.00 0.00 57.07 58.23 3fb1 s TYR 194 Cb -0.14 -2.23 -0.03 0.00 0.42 0.00 0.00 41.96 39.99 3fb1 s TYR 194 CO 0.05 0.28 -0.05 0.54 0.64 0.00 0.00 175.55 177.01 3fb1 s VAL 195 N 0.36 3.80 -0.28 3.14 0.11 -0.01 -0.60 120.40 126.93 3fb1 s VAL 195 Ca 0.12 -0.41 -0.24 0.00 -2.93 0.00 0.00 61.98 58.52 3fb1 s VAL 195 Cb -0.12 -2.62 -0.00 0.00 -1.53 0.00 0.00 36.38 32.11 3fb1 s VAL 195 CO 0.01 0.54 0.79 -0.32 -3.33 0.00 0.00 175.10 172.79 3fb1 s MET 196 N -0.17 4.06 -0.29 1.54 1.75 -0.92 -1.82 119.30 123.46 3fb1 s MET 196 Ca 0.03 0.73 -0.21 0.00 -1.25 0.00 0.00 55.69 54.99 3fb1 s MET 196 Cb -0.13 -3.69 -0.01 0.00 2.84 0.00 0.00 34.83 33.84 3fb1 s MET 196 CO 0.03 -0.60 0.65 1.21 -0.65 0.00 0.00 175.02 175.66 3fb1 s ASN 197 N 1.50 6.54 0.47 1.11 2.47 0.27 -4.09 114.94 123.21 3fb1 s ASN 197 Ca 0.33 0.54 0.24 0.00 0.42 0.00 0.00 52.86 54.39 3fb1 s ASN 197 Cb -0.15 -2.34 1.27 0.00 -1.45 0.00 0.00 41.25 38.58 3fb1 s ASN 197 CO 0.10 -0.46 1.84 1.23 -3.72 0.00 0.00 177.10 176.09 3fb1 h GLY 198 N 9.13 0.58 -0.07 1.21 0.00 -1.90 -3.31 103.07 108.69 3fb1 h GLY 198 Ca -0.26 -0.11 0.01 0.00 0.00 0.00 0.00 47.33 46.96 3fb1 h GLY 198 CO 0.80 -0.03 -0.01 0.61 0.00 0.00 0.00 176.54 177.91 3fb1 n GLY 199 N -1.60 -1.88 0.57 4.60 0.00 -1.26 -3.83 105.19 101.80 3fb1 n GLY 199 Ca 0.21 -1.34 0.13 0.00 0.00 0.00 0.00 46.02 45.02 3fb1 n GLY 199 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3fb1 n PRO 200 N -0.58 1.79 -1.93 1.61 -0.04 -1.26 -4.80 135.00 129.78 3fb1 n PRO 200 Ca 0.00 -1.15 -0.41 0.00 -0.04 0.00 0.00 63.50 61.90 3fb1 n PRO 200 Cb 0.02 -1.47 -0.02 0.00 -0.04 0.00 0.00 33.50 31.99 3fb1 n PRO 200 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3fb1 n TYR 202 N 1.80 -0.40 -3.01 0.00 4.02 -1.26 -4.96 117.16 113.36 3fb1 n TYR 202 Ca 0.05 0.24 -0.39 0.00 -0.01 0.00 0.00 57.90 57.78 3fb1 n TYR 202 Cb 0.39 -1.85 -0.06 0.00 -0.02 0.00 0.00 39.34 37.81 3fb1 n TYR 202 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 176.86 174.64 3fb1 s GLU 203 N -4.19 4.52 0.90 -0.72 8.01 -1.26 -5.04 118.70 120.92 3fb1 s GLU 203 Ca 0.63 1.10 -0.11 0.00 0.01 0.00 0.00 54.97 56.59 3fb1 s GLU 203 Cb -0.22 -3.29 0.13 0.00 -4.31 0.00 0.00 34.13 26.44 3fb1 s GLU 203 CO 0.63 0.50 1.09 0.95 0.01 0.00 0.00 175.26 178.44 3fb1 s THR 204 N -0.85 2.66 0.25 3.63 -4.23 -1.26 -4.75 115.64 111.08 3fb1 s THR 204 Ca 0.36 0.21 -0.06 0.00 -1.18 0.00 0.00 61.69 61.02 3fb1 s THR 204 Cb -0.22 -2.67 0.22 0.00 1.34 0.00 0.00 72.50 71.17 3fb1 s THR 204 CO 0.25 -0.28 1.87 -0.65 -0.54 0.00 0.00 174.62 175.27 3fb1 h PRO 205 N -1.57 1.22 -0.45 3.99 0.11 -1.85 0.90 132.00 134.36 3fb1 h PRO 205 Ca -0.49 -0.13 -0.09 0.00 0.11 0.00 0.00 66.00 65.40 3fb1 h PRO 205 Cb 1.28 -0.24 -0.02 0.00 0.11 0.00 0.00 31.00 32.13 3fb1 h PRO 205 CO 0.54 0.88 -0.07 0.00 -0.21 0.00 0.00 178.00 179.14 3fb1 h ALA 206 N 1.31 1.03 -0.15 -0.75 0.00 -1.86 -0.39 119.26 118.47 3fb1 h ALA 206 Ca 0.31 -0.30 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 3fb1 h ALA 206 Cb 0.01 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 3fb1 h ALA 206 CO -0.05 0.59 0.06 0.93 0.00 0.00 0.00 179.25 180.78 3fb1 h GLU 207 N 0.71 0.22 -0.86 0.00 5.08 -1.75 -0.02 114.58 117.96 3fb1 h GLU 207 Ca 0.13 -0.04 0.03 0.00 -1.00 0.00 0.00 59.36 58.48 3fb1 h GLU 207 Cb 0.54 -0.04 -0.05 0.00 0.50 0.00 0.00 28.75 29.71 3fb1 h GLU 207 CO 0.03 0.30 0.57 0.00 -1.00 0.00 0.00 179.01 178.91 3fb1 h THR 209 N 1.10 1.27 -0.31 0.00 2.02 -0.81 -0.39 112.91 115.79 3fb1 h THR 209 Ca 0.34 -1.14 -0.02 0.00 0.77 0.00 0.00 66.41 66.36 3fb1 h THR 209 Cb -0.01 1.16 -0.01 0.00 -1.74 0.00 0.00 68.15 67.55 3fb1 h THR 209 CO -0.09 0.39 0.13 -0.03 0.37 0.00 0.00 175.52 176.28 3fb1 h MET 210 N 0.60 0.46 -0.58 6.66 -1.53 0.03 -1.16 114.93 119.41 3fb1 h MET 210 Ca 0.11 -0.08 -0.01 0.00 -3.44 0.00 0.00 59.70 56.29 3fb1 h MET 210 Cb 0.58 -0.08 -0.03 0.00 -0.55 0.00 0.00 31.60 31.53 3fb1 h MET 210 CO 0.03 0.46 0.34 -0.07 0.14 0.00 0.00 176.91 177.81 3fb1 h LEU 211 N 0.36 0.70 -0.44 3.39 3.38 -0.31 -0.10 115.31 122.28 3fb1 h LEU 211 Ca 0.10 -0.07 0.03 0.00 0.09 0.00 0.00 57.88 58.04 3fb1 h LEU 211 Cb 0.16 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 40.70 3fb1 h LEU 211 CO -0.01 0.57 0.23 0.25 0.09 0.00 0.00 178.44 179.57 3fb1 h LEU 212 N 0.78 0.35 -1.50 1.67 5.85 -0.91 -1.27 115.31 120.28 3fb1 h LEU 212 Ca 0.21 0.02 -0.02 0.00 0.84 0.00 0.00 57.88 58.93 3fb1 h LEU 212 Cb 0.00 -0.05 -0.00 0.00 0.37 0.00 0.00 40.66 40.97 3fb1 h LEU 212 CO -0.04 0.25 -0.08 0.78 -0.34 0.00 0.00 178.44 179.01 3fb1 h ASN 213 N 0.47 0.00 0.65 1.25 2.35 -0.53 -0.79 115.58 118.98 3fb1 h ASN 213 Ca 0.19 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.94 3fb1 h ASN 213 Cb 0.07 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.44 3fb1 h ASN 213 CO -0.12 0.08 0.00 0.23 -1.65 0.00 0.00 177.43 175.98 3fb1 n MET 214 N -3.25 0.02 -0.12 0.81 2.81 -0.11 -4.86 117.12 112.42 3fb1 n MET 214 Ca -0.00 0.16 0.00 0.00 -1.81 0.00 0.00 57.70 56.05 3fb1 n MET 214 Cb 0.32 -1.50 0.00 0.00 -0.71 0.00 0.00 33.22 31.33 3fb1 n MET 214 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3fb1 n GLY 215 N 0.51 0.92 3.82 3.03 0.00 -0.30 -5.08 105.19 108.09 3fb1 n GLY 215 Ca 0.05 -0.13 -0.38 0.00 0.00 0.00 0.00 46.02 45.56 3fb1 n GLY 215 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3fb1 n ASP 217 N 1.86 0.79 -4.04 0.00 8.00 0.55 -4.25 116.55 119.45 3fb1 n ASP 217 Ca -0.13 -0.03 -0.08 0.00 0.71 0.00 0.00 54.79 55.26 3fb1 n ASP 217 Cb 0.52 0.42 -0.10 0.00 -0.02 0.00 0.00 41.12 41.94 3fb1 n ASP 217 CO 0.00 0.00 0.00 0.68 -0.39 0.00 0.00 177.20 177.49 3fb1 s VAL 218 N -2.51 0.19 -0.03 2.53 -7.23 -0.80 -0.42 120.40 112.13 3fb1 s VAL 218 Ca -0.19 -1.55 0.01 0.00 -1.81 0.00 0.00 61.98 58.43 3fb1 s VAL 218 Cb 0.07 -1.24 0.02 0.00 0.56 0.00 0.00 36.38 35.80 3fb1 s VAL 218 CO 0.74 -0.86 -0.01 0.54 -0.31 0.00 0.00 175.10 175.20 3fb1 s VAL 219 N -3.38 0.27 0.14 1.32 0.11 -0.34 -0.83 120.40 117.69 3fb1 s VAL 219 Ca 0.02 0.02 -0.01 0.00 -2.93 0.00 0.00 61.98 59.08 3fb1 s VAL 219 Cb 0.04 -0.34 0.00 0.00 -1.53 0.00 0.00 36.38 34.55 3fb1 s VAL 219 CO -0.08 0.16 0.19 0.61 -3.33 0.00 0.00 175.10 172.65 3fb1 n GLY 220 N 4.05 2.77 0.54 6.54 0.00 -0.75 -0.28 105.19 118.04 3fb1 n GLY 220 Ca -0.26 -1.48 0.07 0.00 0.00 0.00 0.00 46.02 44.35 3fb1 n GLY 220 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 3fb1 n MET 221 N -0.22 1.27 -0.53 1.61 2.81 -1.25 0.96 117.12 121.77 3fb1 n MET 221 Ca 0.00 -2.87 0.00 0.00 -1.81 0.00 0.00 57.70 53.02 3fb1 n MET 221 Cb 0.23 -1.37 0.00 0.00 -0.71 0.00 0.00 33.22 31.36 3fb1 n MET 221 CO 0.00 0.00 0.00 -1.13 1.51 0.00 0.00 175.97 176.35 3fb1 n SER 222 N -0.99 0.00 0.00 7.83 3.41 -1.26 -4.50 113.62 118.11 3fb1 n SER 222 Ca 0.16 -0.33 0.00 0.00 -0.26 0.00 0.00 58.87 58.44 3fb1 n SER 222 Cb 0.72 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.67 3fb1 n SER 222 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 3fb1 n THR 223 N 0.00 0.00 -0.17 6.66 -1.04 -1.26 -4.49 114.28 113.98 3fb1 n THR 223 Ca 0.00 0.00 -0.01 0.00 -2.04 0.00 0.00 64.05 62.00 3fb1 n THR 223 Cb 0.00 0.00 0.08 0.00 -1.82 0.00 0.00 70.33 68.59 3fb1 n THR 223 CO 0.00 0.00 0.00 0.40 -0.64 0.00 0.00 175.07 174.83 3fb1 h ILE 224 N 0.00 0.68 -0.79 12.58 2.04 -1.97 0.49 117.51 130.53 3fb1 h ILE 224 Ca 0.00 -0.08 0.00 0.00 1.00 0.00 0.00 64.86 65.78 3fb1 h ILE 224 Cb 0.00 0.44 -0.04 0.00 -0.74 0.00 0.00 36.82 36.48 3fb1 h ILE 224 CO 0.00 0.04 0.50 -0.65 0.00 0.00 0.00 178.15 178.05 3fb1 h PRO 225 N 0.23 1.06 -0.43 2.37 0.11 -1.99 0.15 132.00 133.49 3fb1 h PRO 225 Ca 0.27 -0.08 -0.11 0.00 0.11 0.00 0.00 66.00 66.19 3fb1 h PRO 225 Cb 0.38 -0.23 -0.02 0.00 0.11 0.00 0.00 31.00 31.24 3fb1 h PRO 225 CO -0.36 0.72 -0.19 0.93 -0.21 0.00 0.00 178.00 178.90 3fb1 h GLU 226 N 1.08 0.84 -0.57 1.05 3.07 -1.76 -1.80 114.58 116.48 3fb1 h GLU 226 Ca 0.29 -0.33 -0.02 0.00 -0.50 0.00 0.00 59.36 58.80 3fb1 h GLU 226 Cb -0.09 -0.04 -0.03 0.00 -0.84 0.00 0.00 28.75 27.75 3fb1 h GLU 226 CO -0.06 0.96 0.28 0.28 -1.40 0.00 0.00 179.01 179.06 3fb1 h VAL 227 N 0.74 1.21 -0.47 3.13 2.07 -0.20 0.17 116.25 122.89 3fb1 h VAL 227 Ca 0.11 -0.58 -0.01 0.00 0.82 0.00 0.00 66.70 67.04 3fb1 h VAL 227 Cb 0.71 0.53 -0.02 0.00 -1.52 0.00 0.00 31.29 30.99 3fb1 h VAL 227 CO 0.05 0.23 0.24 0.58 0.02 0.00 0.00 177.57 178.70 3fb1 h VAL 228 N 0.77 1.18 -0.43 2.57 2.07 -0.55 0.31 116.25 122.17 3fb1 h VAL 228 Ca 0.20 -0.49 -0.10 0.00 0.82 0.00 0.00 66.70 67.13 3fb1 h VAL 228 Cb 0.11 0.63 -0.02 0.00 -1.52 0.00 0.00 31.29 30.50 3fb1 h VAL 228 CO -0.03 0.19 -0.14 0.40 0.02 0.00 0.00 177.57 178.02 3fb1 h ILE 229 N 0.62 1.26 0.09 4.57 1.08 -0.97 0.74 117.51 124.90 3fb1 h ILE 229 Ca 0.16 -1.22 -0.00 0.00 -0.39 0.00 0.00 64.86 63.41 3fb1 h ILE 229 Cb 0.09 1.07 0.00 0.00 -3.07 0.00 0.00 36.82 34.92 3fb1 h ILE 229 CO -0.02 0.41 -0.04 0.00 -0.69 0.00 0.00 178.15 177.81 3fb1 h ALA 230 N 1.13 -0.12 -0.48 1.87 0.00 -0.20 -2.28 119.26 119.18 3fb1 h ALA 230 Ca 0.12 -0.12 0.03 0.00 0.00 0.00 0.00 54.91 54.94 3fb1 h ALA 230 Cb 0.63 0.05 -0.04 0.00 0.00 0.00 0.00 17.79 18.43 3fb1 h ALA 230 CO 0.04 -0.47 0.27 0.00 0.00 0.00 0.00 179.25 179.10 3fb1 h ARG 231 N -0.32 0.52 -0.89 0.00 2.47 -0.32 0.27 114.38 116.11 3fb1 h ARG 231 Ca -0.01 -0.03 0.17 0.00 -1.26 0.00 0.00 59.98 58.84 3fb1 h ARG 231 Cb 0.27 -0.12 -0.07 0.00 -1.65 0.00 0.00 29.97 28.40 3fb1 h ARG 231 CO 0.02 0.35 0.58 1.25 0.56 0.00 0.00 179.97 182.72 3fb1 h HIS 232 N 0.54 0.72 -0.53 3.04 2.76 -0.68 0.66 115.15 121.65 3fb1 h HIS 232 Ca 0.20 0.02 0.00 0.00 -2.20 0.00 0.00 60.37 58.39 3fb1 h HIS 232 Cb 0.05 -0.22 0.00 0.00 1.55 0.00 0.00 27.41 28.79 3fb1 h HIS 232 CO -0.08 0.23 0.00 0.00 -1.30 0.00 0.00 177.93 176.78 3fb1 n GLY 234 N 0.57 0.70 3.75 0.00 0.00 0.22 -4.97 105.19 105.45 3fb1 n GLY 234 Ca 0.25 -0.68 -0.40 0.00 0.00 0.00 0.00 46.02 45.19 3fb1 n GLY 234 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3fb1 s ILE 235 N -2.29 4.42 0.28 -0.61 1.01 0.85 -4.98 121.20 119.87 3fb1 s ILE 235 Ca 0.00 1.89 -0.28 0.00 0.00 0.00 0.00 60.65 62.25 3fb1 s ILE 235 Cb 0.00 -4.23 -0.09 0.00 0.01 0.00 0.00 42.46 38.14 3fb1 s ILE 235 CO 0.00 0.42 0.98 -1.10 0.00 0.00 0.00 174.94 175.24 3fb1 s GLN 236 N -0.58 4.69 -0.08 2.79 -0.21 -0.34 -3.92 119.66 122.01 3fb1 s GLN 236 Ca 0.41 1.52 0.03 0.00 0.02 0.00 0.00 55.36 57.33 3fb1 s GLN 236 Cb -0.23 -3.08 -0.02 0.00 1.00 0.00 0.00 33.01 30.68 3fb1 s GLN 236 CO 0.28 0.35 -0.17 0.08 -2.12 0.00 0.00 175.29 173.70 3fb1 s VAL 237 N -1.32 2.75 -0.07 1.09 1.01 -1.26 0.60 120.40 123.20 3fb1 s VAL 237 Ca 0.45 -0.81 0.05 0.00 0.00 0.00 0.00 61.98 61.67 3fb1 s VAL 237 Cb -0.25 -2.09 -0.00 0.00 0.00 0.00 0.00 36.38 34.04 3fb1 s VAL 237 CO 0.31 0.56 -0.21 0.12 0.00 0.00 0.00 175.10 175.88 3fb1 s PHE 238 N -0.16 2.21 -0.04 5.22 2.19 0.47 -1.54 117.98 126.33 3fb1 s PHE 238 Ca -0.02 -0.76 -0.04 0.00 0.33 0.00 0.00 56.93 56.45 3fb1 s PHE 238 Cb -0.14 -1.48 0.01 0.00 -1.31 0.00 0.00 43.02 40.11 3fb1 s PHE 238 CO 0.03 -0.28 0.11 0.00 1.83 0.00 0.00 175.22 176.91 3fb1 s ALA 239 N 0.14 -0.26 -0.02 11.12 0.00 -1.26 -0.10 121.76 131.38 3fb1 s ALA 239 Ca -0.10 0.26 0.01 0.00 0.00 0.00 0.00 51.96 52.13 3fb1 s ALA 239 Cb -0.15 -0.15 0.02 0.00 0.00 0.00 0.00 23.12 22.83 3fb1 s ALA 239 CO 0.05 -0.06 -0.02 0.08 0.00 0.00 0.00 175.76 175.81 3fb1 s VAL 240 N -0.05 0.29 -0.14 0.00 1.01 0.15 0.06 120.40 121.72 3fb1 s VAL 240 Ca -0.01 -0.04 -0.20 0.00 0.00 0.00 0.00 61.98 61.73 3fb1 s VAL 240 Cb -0.01 -0.32 -0.04 0.00 0.00 0.00 0.00 36.38 36.01 3fb1 s VAL 240 CO 0.00 0.14 0.55 -0.44 0.00 0.00 0.00 175.10 175.36 3fb1 s SER 241 N 0.63 6.71 -0.16 3.32 0.01 0.65 -1.58 113.70 123.28 3fb1 s SER 241 Ca -0.07 0.86 -0.27 0.00 1.31 0.00 0.00 55.95 57.78 3fb1 s SER 241 Cb -0.10 -2.32 -0.01 0.00 0.21 0.00 0.00 66.02 63.80 3fb1 s SER 241 CO -0.01 -0.11 0.93 -0.22 0.41 0.00 0.00 173.24 174.24 3fb1 s LEU 242 N 1.11 4.18 -0.69 2.44 2.96 0.86 0.16 118.68 129.70 3fb1 s LEU 242 Ca 0.28 1.33 -0.26 0.00 -0.22 0.00 0.00 54.13 55.25 3fb1 s LEU 242 Cb -0.16 -3.40 -0.01 0.00 0.50 0.00 0.00 46.19 43.13 3fb1 s LEU 242 CO 0.12 -0.47 1.69 -0.69 -1.32 0.00 0.00 176.35 175.67 3fb1 s VAL 243 N 2.34 3.49 -2.75 1.68 1.01 0.35 -0.99 120.40 125.52 3fb1 s VAL 243 Ca 0.43 0.16 0.26 0.00 0.00 0.00 0.00 61.98 62.82 3fb1 s VAL 243 Cb -0.17 -4.26 0.32 0.00 0.00 0.00 0.00 36.38 32.27 3fb1 s VAL 243 CO 0.13 -1.22 1.44 0.35 0.00 0.00 0.00 175.10 175.80 3fb1 n THR 244 N 7.03 0.00 -3.64 3.92 -2.24 -0.49 -0.12 114.28 118.75 3fb1 n THR 244 Ca 0.18 -0.39 -0.08 0.00 -2.27 0.00 0.00 64.05 61.49 3fb1 n THR 244 Cb 0.51 1.09 -0.07 0.00 -2.10 0.00 0.00 70.33 69.75 3fb1 n THR 244 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 3fb1 s ASN 245 N -2.03 -0.40 -0.23 3.42 2.20 -1.24 -4.29 114.94 112.37 3fb1 s ASN 245 Ca 0.31 0.77 -0.25 0.00 -0.94 0.00 0.00 52.86 52.76 3fb1 s ASN 245 Cb 0.20 0.78 -0.01 0.00 -2.00 0.00 0.00 41.25 40.23 3fb1 s ASN 245 CO 0.33 -0.14 0.83 -0.63 -2.94 0.00 0.00 177.10 174.55 3fb1 s ILE 246 N 0.19 4.84 0.32 0.54 -1.09 -1.26 0.70 121.20 125.44 3fb1 s ILE 246 Ca 0.04 1.57 -0.29 0.00 -2.23 0.00 0.00 60.65 59.74 3fb1 s ILE 246 Cb -0.05 -4.12 -0.11 0.00 -1.58 0.00 0.00 42.46 36.61 3fb1 s ILE 246 CO -0.07 -0.06 1.49 -0.44 -1.23 0.00 0.00 174.94 174.62 3fb1 s SER 247 N 1.32 6.46 -0.38 3.58 0.01 0.14 -4.81 113.70 120.03 3fb1 s SER 247 Ca 0.35 2.91 -0.18 0.00 1.31 0.00 0.00 55.95 60.34 3fb1 s SER 247 Cb -0.15 -2.65 0.00 0.00 0.21 0.00 0.00 66.02 63.43 3fb1 s SER 247 CO 0.08 -0.81 0.49 -0.69 0.41 0.00 0.00 173.24 172.72 3fb1 s VAL 248 N -0.61 5.03 -0.36 3.43 1.01 -1.26 -4.90 120.40 122.74 3fb1 s VAL 248 Ca 0.56 0.11 0.22 0.00 0.00 0.00 0.00 61.98 62.88 3fb1 s VAL 248 Cb -0.45 -3.99 -0.15 0.00 0.00 0.00 0.00 36.38 31.79 3fb1 s VAL 248 CO 0.54 -0.29 0.87 0.18 0.00 0.00 0.00 175.10 176.40 3fb1 n LEU 249 N 5.72 0.52 -4.56 3.92 4.77 -1.26 -3.67 117.00 122.43 3fb1 n LEU 249 Ca -0.06 0.06 -0.41 0.00 -0.03 0.00 0.00 56.01 55.57 3fb1 n LEU 249 Cb 0.48 -0.06 -0.07 0.00 -2.33 0.00 0.00 43.42 41.44 3fb1 n LEU 249 CO 0.46 -0.02 0.27 -0.62 -1.33 0.00 0.00 177.39 176.14 3fb1 s ASP 250 N -4.44 6.35 0.54 -1.43 2.15 -1.26 -4.49 116.67 114.09 3fb1 s ASP 250 Ca -0.01 0.03 0.31 0.00 0.43 0.00 0.00 52.55 53.32 3fb1 s ASP 250 Cb 0.13 -2.28 1.45 0.00 -0.30 0.00 0.00 42.92 41.91 3fb1 s ASP 250 CO 0.83 -0.51 2.03 1.62 -0.17 0.00 0.00 175.17 178.98 3fb1 h VAL 251 N 5.63 0.29 -0.01 1.11 3.04 -1.91 -2.29 116.25 122.10 3fb1 h VAL 251 Ca -0.27 -0.58 0.00 0.00 -1.01 0.00 0.00 66.70 64.84 3fb1 h VAL 251 Cb 1.12 1.45 0.00 0.00 -2.01 0.00 0.00 31.29 31.85 3fb1 h VAL 251 CO 0.79 0.08 -0.05 -0.62 -1.01 0.00 0.00 177.57 176.77 3fb1 n GLU 252 N -3.32 1.16 -2.53 4.17 4.71 -1.26 -4.89 120.64 118.68 3fb1 n GLU 252 Ca -0.01 -0.46 -0.37 0.00 -0.01 0.00 0.00 57.16 56.31 3fb1 n GLU 252 Cb 0.28 -1.49 -0.04 0.00 -1.01 0.00 0.00 31.44 29.18 3fb1 n GLU 252 CO 0.00 0.00 0.00 0.45 0.09 0.00 0.00 177.13 177.67 3fb1 s SER 253 N -2.16 6.82 0.33 1.62 0.15 -0.86 -4.94 113.70 114.66 3fb1 s SER 253 Ca 0.37 2.07 0.23 0.00 0.70 0.00 0.00 55.95 59.32 3fb1 s SER 253 Cb 0.21 -2.59 0.25 0.00 -1.71 0.00 0.00 66.02 62.17 3fb1 s SER 253 CO 0.39 -0.45 1.41 0.44 1.20 0.00 0.00 173.24 176.24 3fb1 h ASP 254 N 2.68 0.00 -3.45 5.45 3.32 -1.90 -3.46 116.42 119.06 3fb1 h ASP 254 Ca -0.48 -0.01 -0.53 0.00 0.02 0.00 0.00 57.03 56.03 3fb1 h ASP 254 Cb 1.21 0.00 0.09 0.00 0.22 0.00 0.00 39.33 40.86 3fb1 h ASP 254 CO 0.63 0.00 0.87 0.18 -1.72 0.00 0.00 179.24 179.21 3fb1 n LEU 255 N -2.87 4.53 -3.75 1.55 4.32 -1.26 -5.01 117.00 114.50 3fb1 n LEU 255 Ca 0.03 1.17 -0.11 0.00 -0.02 0.00 0.00 56.01 57.07 3fb1 n LEU 255 Cb 0.53 -1.61 -0.07 0.00 -1.62 0.00 0.00 43.42 40.65 3fb1 n LEU 255 CO 0.36 0.19 0.03 -1.59 -1.22 0.00 0.00 177.39 175.16 3fb1 s LYS 256 N -0.86 0.82 0.41 3.23 -2.85 -1.26 -4.90 119.74 114.32 3fb1 s LYS 256 Ca 0.61 -0.53 -0.25 0.00 -1.00 0.00 0.00 55.97 54.81 3fb1 s LYS 256 Cb -0.48 0.35 -0.08 0.00 -2.06 0.00 0.00 37.83 35.56 3fb1 s LYS 256 CO 0.52 -0.26 1.15 -2.14 0.10 0.00 0.00 175.35 174.71 3fb1 s PRO 257 N -2.63 4.01 -0.04 1.78 0.02 -1.26 -5.03 135.00 131.84 3fb1 s PRO 257 Ca -0.04 1.78 -0.01 0.00 0.02 0.00 0.00 61.00 62.74 3fb1 s PRO 257 Cb -0.01 -2.60 0.03 0.00 0.02 0.00 0.00 34.50 31.94 3fb1 s PRO 257 CO -0.04 -0.34 0.04 1.21 -0.33 0.00 0.00 177.00 177.54 3fb1 s ASN 258 N -1.24 0.96 0.25 2.53 2.47 -1.26 -5.04 114.94 113.61 3fb1 s ASN 258 Ca 0.58 0.03 -0.04 0.00 0.42 0.00 0.00 52.86 53.86 3fb1 s ASN 258 Cb -0.29 -0.19 0.41 0.00 -1.45 0.00 0.00 41.25 39.73 3fb1 s ASN 258 CO 0.36 -0.20 1.82 -0.74 -3.72 0.00 0.00 177.10 174.62 3fb1 h HIS 259 N 8.10 0.92 -0.67 0.43 -0.00 -1.98 0.11 115.15 122.05 3fb1 h HIS 259 Ca -0.22 0.03 0.03 0.00 -0.00 0.00 0.00 60.37 60.20 3fb1 h HIS 259 Cb 1.12 -0.28 -0.04 0.00 -0.00 0.00 0.00 27.41 28.21 3fb1 h HIS 259 CO 0.49 0.39 0.44 0.93 -0.00 0.00 0.00 177.93 180.18 3fb1 h GLU 260 N 0.85 0.80 -0.15 5.26 4.39 -1.99 0.11 114.58 123.86 3fb1 h GLU 260 Ca 0.41 -0.05 -0.17 0.00 0.34 0.00 0.00 59.36 59.89 3fb1 h GLU 260 Cb 0.34 -0.18 -0.01 0.00 -0.10 0.00 0.00 28.75 28.81 3fb1 h GLU 260 CO -0.24 0.53 -0.61 0.93 -1.16 0.00 0.00 179.01 178.46 3fb1 h GLU 261 N 0.82 0.50 -0.41 2.33 5.08 -1.29 -1.33 114.58 120.28 3fb1 h GLU 261 Ca 0.26 -0.34 -0.02 0.00 -1.00 0.00 0.00 59.36 58.26 3fb1 h GLU 261 Cb 0.03 0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.31 3fb1 h GLU 261 CO -0.07 0.95 0.18 0.28 -1.00 0.00 0.00 179.01 179.36 3fb1 h VAL 262 N 0.37 1.18 -0.20 3.13 2.07 0.54 0.52 116.25 123.87 3fb1 h VAL 262 Ca -0.01 -0.53 -0.02 0.00 0.82 0.00 0.00 66.70 66.96 3fb1 h VAL 262 Cb 1.16 0.78 -0.01 0.00 -1.52 0.00 0.00 31.29 31.70 3fb1 h VAL 262 CO 0.11 0.20 0.04 -0.07 0.02 0.00 0.00 177.57 177.87 3fb1 h LEU 263 N 0.51 0.31 -0.31 2.57 3.38 -0.78 -1.00 115.31 119.99 3fb1 h LEU 263 Ca 0.14 -0.24 0.06 0.00 0.09 0.00 0.00 57.88 57.93 3fb1 h LEU 263 Cb 0.14 -0.08 -0.06 0.00 0.09 0.00 0.00 40.66 40.75 3fb1 h LEU 263 CO -0.02 0.47 -0.06 0.00 0.09 0.00 0.00 178.44 178.93 3fb1 h ALA 264 N 0.85 0.22 -0.77 1.53 0.00 -1.07 0.41 119.26 120.43 3fb1 h ALA 264 Ca 0.06 0.11 -0.04 0.00 0.00 0.00 0.00 54.91 55.04 3fb1 h ALA 264 Cb 0.29 0.22 -0.03 0.00 0.00 0.00 0.00 17.79 18.26 3fb1 h ALA 264 CO 0.00 -0.45 0.32 1.15 0.00 0.00 0.00 179.25 180.27 3fb1 h THR 265 N 0.02 1.26 0.21 0.00 2.02 -0.72 0.12 112.91 115.82 3fb1 h THR 265 Ca 0.15 -0.79 -0.01 0.00 0.77 0.00 0.00 66.41 66.53 3fb1 h THR 265 Cb 0.22 0.33 0.00 0.00 -1.74 0.00 0.00 68.15 66.96 3fb1 h THR 265 CO -0.30 0.32 -0.10 1.23 0.37 0.00 0.00 175.52 177.04 3fb1 h GLY 266 N 1.12 -0.30 0.57 2.16 0.00 -0.58 -2.48 103.07 103.56 3fb1 h GLY 266 Ca 0.26 0.11 0.09 0.00 0.00 0.00 0.00 47.33 47.79 3fb1 h GLY 266 CO -0.02 -0.11 0.56 0.00 0.00 0.00 0.00 176.54 176.97 3fb1 h ALA 267 N 0.27 1.32 -0.92 3.60 0.00 0.95 0.21 119.26 124.69 3fb1 h ALA 267 Ca -0.03 0.01 0.08 0.00 0.00 0.00 0.00 54.91 54.97 3fb1 h ALA 267 Cb 0.36 -0.20 -0.06 0.00 0.00 0.00 0.00 17.79 17.88 3fb1 h ALA 267 CO 0.05 0.22 0.60 0.37 0.00 0.00 0.00 179.25 180.49 3fb1 h GLN 268 N 0.95 0.97 -0.00 0.00 5.75 -0.63 -2.51 115.11 119.64 3fb1 h GLN 268 Ca 0.43 -0.06 0.00 0.00 -0.15 0.00 0.00 58.65 58.87 3fb1 h GLN 268 Cb 0.34 -0.22 0.00 0.00 1.07 0.00 0.00 27.48 28.68 3fb1 h GLN 268 CO -0.23 0.64 -0.59 0.54 -2.65 0.00 0.00 178.83 176.54 3fb1 n ARG 269 N -4.51 0.27 -0.30 1.69 5.12 -0.24 -4.49 116.66 114.20 3fb1 n ARG 269 Ca 0.15 -0.19 0.02 0.00 -1.93 0.00 0.00 57.85 55.90 3fb1 n ARG 269 Cb 0.24 -1.50 0.15 0.00 -1.16 0.00 0.00 32.46 30.20 3fb1 n ARG 269 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 3fb1 h ALA 270 N 3.21 1.17 -0.35 7.54 0.00 -0.20 -0.38 119.26 130.25 3fb1 h ALA 270 Ca 0.00 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 3fb1 h ALA 270 Cb 0.53 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.13 3fb1 h ALA 270 CO 0.00 0.16 0.13 1.49 0.00 0.00 0.00 179.25 181.03 3fb1 h GLU 271 N 0.86 0.53 -0.57 0.00 4.81 -1.79 0.45 114.58 118.87 3fb1 h GLU 271 Ca 0.39 -0.10 -0.01 0.00 -0.13 0.00 0.00 59.36 59.50 3fb1 h GLU 271 Cb 0.28 -0.08 -0.03 0.00 0.63 0.00 0.00 28.75 29.55 3fb1 h GLU 271 CO -0.22 0.53 0.32 1.25 -0.73 0.00 0.00 179.01 180.16 3fb1 h LEU 272 N 0.42 0.71 -0.67 1.64 5.85 -1.74 0.21 115.31 121.73 3fb1 h LEU 272 Ca 0.12 -0.09 -0.05 0.00 0.84 0.00 0.00 57.88 58.70 3fb1 h LEU 272 Cb 0.21 -0.18 -0.03 0.00 0.37 0.00 0.00 40.66 41.03 3fb1 h LEU 272 CO -0.01 0.60 0.23 -0.03 -0.34 0.00 0.00 178.44 178.89 3fb1 h MET 273 N 0.77 1.02 -0.04 1.25 4.05 -0.64 0.94 114.93 122.28 3fb1 h MET 273 Ca 0.20 -0.21 0.01 0.00 -0.28 0.00 0.00 59.70 59.42 3fb1 h MET 273 Cb 0.04 -0.16 -0.01 0.00 -0.80 0.00 0.00 31.60 30.68 3fb1 h MET 273 CO -0.03 0.87 -0.01 0.37 0.23 0.00 0.00 176.91 178.34 3fb1 h GLN 274 N 0.96 -0.00 -0.19 0.39 4.15 0.27 0.13 115.11 120.83 3fb1 h GLN 274 Ca 0.22 0.00 0.05 0.00 0.77 0.00 0.00 58.65 59.69 3fb1 h GLN 274 Cb 0.26 0.00 -0.06 0.00 0.21 0.00 0.00 27.48 27.89 3fb1 h GLN 274 CO -0.01 -0.00 -0.24 1.03 -1.93 0.00 0.00 178.83 177.68 3fb1 h SER 275 N -0.00 -0.77 -0.07 -0.69 0.87 -0.15 0.08 113.55 112.82 3fb1 h SER 275 Ca 0.02 0.13 0.04 0.00 -1.23 0.00 0.00 61.79 60.75 3fb1 h SER 275 Cb 0.03 0.35 -0.05 0.00 -0.44 0.00 0.00 62.40 62.29 3fb1 h SER 275 CO -0.04 -0.28 -0.27 -0.25 -0.53 0.00 0.00 176.83 175.46 3fb1 h TRP 276 N -0.28 -0.73 -1.00 2.24 7.01 -0.53 0.14 115.95 122.81 3fb1 h TRP 276 Ca 0.12 0.03 0.09 0.00 2.11 0.00 0.00 58.89 61.24 3fb1 h TRP 276 Cb 0.46 0.33 -0.07 0.00 -2.10 0.00 0.00 29.16 27.78 3fb1 h TRP 276 CO -0.37 -0.36 0.64 0.74 -2.79 0.00 0.00 178.44 176.30 3fb1 h PHE 277 N -0.37 1.16 -0.35 2.65 -1.00 -0.42 0.20 116.94 118.81 3fb1 h PHE 277 Ca 0.08 0.03 -0.09 0.00 2.81 0.00 0.00 57.97 60.81 3fb1 h PHE 277 Cb 0.49 -0.37 -0.01 0.00 3.61 0.00 0.00 35.95 39.67 3fb1 h PHE 277 CO -0.34 0.53 -0.12 0.93 -1.61 0.00 0.00 178.31 177.70 3fb1 h GLU 278 N 1.08 0.70 -0.17 1.51 5.08 -0.09 -0.60 114.58 122.08 3fb1 h GLU 278 Ca 0.46 -0.29 -0.13 0.00 -1.00 0.00 0.00 59.36 58.40 3fb1 h GLU 278 Cb 0.33 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.54 3fb1 h GLU 278 CO -0.21 0.88 -0.45 0.87 -1.00 0.00 0.00 179.01 179.10 3fb1 h LYS 279 N 0.48 0.43 0.69 2.33 1.57 -0.19 0.47 116.57 122.34 3fb1 h LYS 279 Ca 0.08 -0.23 -0.03 0.00 -1.87 0.00 0.00 60.65 58.61 3fb1 h LYS 279 Cb 0.65 0.01 -0.00 0.00 0.08 0.00 0.00 32.23 32.96 3fb1 h LYS 279 CO 0.04 0.79 -0.40 0.82 -0.57 0.00 0.00 179.45 180.14 3fb1 h ILE 280 N 0.35 0.19 -0.85 1.86 2.04 -0.52 -2.61 117.51 117.97 3fb1 h ILE 280 Ca 0.02 0.00 0.13 0.00 1.00 0.00 0.00 64.86 66.02 3fb1 h ILE 280 Cb 0.92 0.19 -0.06 0.00 -0.74 0.00 0.00 36.82 37.13 3fb1 h ILE 280 CO 0.08 0.00 0.55 0.40 0.00 0.00 0.00 178.15 179.18 3fb1 h ILE 281 N -1.01 0.85 -0.45 -0.67 2.04 -0.86 0.18 117.51 117.59 3fb1 h ILE 281 Ca -0.09 -0.23 -0.01 0.00 1.00 0.00 0.00 64.86 65.53 3fb1 h ILE 281 Cb 0.81 0.13 -0.02 0.00 -0.74 0.00 0.00 36.82 37.00 3fb1 h ILE 281 CO 0.10 0.12 0.22 -0.08 0.00 0.00 0.00 178.15 178.52 3fb1 h GLU 282 N 0.66 0.62 -0.09 2.37 4.81 -0.76 -2.70 114.58 119.49 3fb1 h GLU 282 Ca 0.42 -0.07 0.00 0.00 -0.13 0.00 0.00 59.36 59.58 3fb1 h GLU 282 Cb 0.68 -0.12 0.00 0.00 0.63 0.00 0.00 28.75 29.94 3fb1 h GLU 282 CO -0.18 0.48 0.00 1.63 -0.73 0.00 0.00 179.01 180.21 3fb1 n LYS 283 N -4.40 2.17 -1.68 1.92 5.02 0.54 -4.91 118.16 116.81 3fb1 n LYS 283 Ca 0.03 -1.72 -0.45 0.00 -2.02 0.00 0.00 58.31 54.15 3fb1 n LYS 283 Cb 0.11 -1.47 -0.04 0.00 -0.02 0.00 0.00 35.03 33.62 3fb1 n LYS 283 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 3fb1 n LEU 284 N 1.05 3.31 -4.68 -0.35 4.77 -0.57 -4.91 117.00 115.62 3fb1 n LEU 284 Ca 0.16 1.07 -0.43 0.00 -0.03 0.00 0.00 56.01 56.79 3fb1 n LEU 284 Cb 0.53 -1.46 -0.01 0.00 -2.33 0.00 0.00 43.42 40.15 3fb1 n LEU 284 CO 0.15 -0.17 0.83 -2.65 -1.33 0.00 0.00 177.39 174.22 3fb1 n PRO 285 N 3.65 1.97 -4.30 3.23 -0.02 -1.26 -5.01 135.00 133.25 3fb1 n PRO 285 Ca 0.17 0.69 -0.18 0.00 -2.02 0.00 0.00 63.50 62.16 3fb1 n PRO 285 Cb 0.30 -2.23 -0.14 0.00 -0.02 0.00 0.00 33.50 31.41 3fb1 n PRO 285 CO 0.00 0.00 0.00 -1.59 1.98 0.00 0.00 175.50 175.89 3fb1 s LYS 286 N -1.83 0.72 0.00 -0.52 -2.85 -1.26 -5.19 119.74 108.82 3fb1 s LYS 286 Ca 0.56 -0.47 0.28 0.00 -1.00 0.00 0.00 55.97 55.34 3fb1 s LYS 286 Cb -0.59 -0.68 1.14 0.00 -2.06 0.00 0.00 37.83 35.64 3fb1 s LYS 286 CO 0.62 0.18 1.80 -3.47 0.10 0.00 0.00 175.35 174.57