#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ffv s LYS 3 N 0.00 4.18 -0.18 0.00 1.02 -1.26 -4.46 119.74 119.03 1ffv s LYS 3 Ca 0.00 2.47 -0.08 0.00 0.02 0.00 0.00 55.97 58.37 1ffv s LYS 3 Cb 0.00 -3.07 -0.04 0.00 -0.52 0.00 0.00 37.83 34.20 1ffv s LYS 3 CO 0.00 -0.57 0.09 0.21 -0.92 0.00 0.00 175.35 174.16 1ffv s LYS 4 N -0.15 4.02 -0.06 1.68 2.20 0.84 -4.75 119.74 123.52 1ffv s LYS 4 Ca 0.64 -0.29 -0.30 0.00 -0.36 0.00 0.00 55.97 55.66 1ffv s LYS 4 Cb -0.46 -3.28 -0.03 0.00 -1.51 0.00 0.00 37.83 32.56 1ffv s LYS 4 CO 0.43 0.31 1.13 0.42 -0.36 0.00 0.00 175.35 177.28 1ffv s ILE 5 N 0.28 4.43 0.05 5.43 1.01 -1.26 -1.36 121.20 129.78 1ffv s ILE 5 Ca 0.06 1.74 -0.02 0.00 0.00 0.00 0.00 60.65 62.43 1ffv s ILE 5 Cb -0.12 -4.12 -0.03 0.00 0.01 0.00 0.00 42.46 38.20 1ffv s ILE 5 CO -0.01 0.02 -0.01 0.27 0.00 0.00 0.00 174.94 175.21 1ffv s ILE 6 N 1.99 0.20 -0.15 2.92 -4.36 0.12 -4.97 121.20 116.95 1ffv s ILE 6 Ca 0.54 -1.63 -0.00 0.00 -0.26 0.00 0.00 60.65 59.29 1ffv s ILE 6 Cb -0.23 -1.33 0.04 0.00 1.25 0.00 0.00 42.46 42.18 1ffv s ILE 6 CO 0.22 -0.90 -0.06 -0.89 0.24 0.00 0.00 174.94 173.55 1ffv s THR 7 N -3.57 1.09 -0.07 8.37 2.01 -1.26 -1.08 115.64 121.13 1ffv s THR 7 Ca 0.04 -0.54 0.04 0.00 0.31 0.00 0.00 61.69 61.54 1ffv s THR 7 Cb 0.05 -1.22 -0.01 0.00 0.01 0.00 0.00 72.50 71.32 1ffv s THR 7 CO -0.09 0.20 -0.20 0.54 -0.69 0.00 0.00 174.62 174.38 1ffv s VAL 8 N 1.65 2.51 -0.40 3.82 0.11 -0.75 -0.29 120.40 127.06 1ffv s VAL 8 Ca 0.02 -0.90 -0.24 0.00 -2.93 0.00 0.00 61.98 57.93 1ffv s VAL 8 Cb -0.14 -1.97 0.02 0.00 -1.53 0.00 0.00 36.38 32.75 1ffv s VAL 8 CO -0.08 0.56 0.83 0.20 -3.33 0.00 0.00 175.10 173.29 1ffv s ASN 9 N -0.17 6.54 -0.22 3.54 0.01 -0.58 -0.55 114.94 123.51 1ffv s ASN 9 Ca -0.02 0.27 -0.01 0.00 -0.71 0.00 0.00 52.86 52.39 1ffv s ASN 9 Cb -0.14 -2.41 0.02 0.00 0.41 0.00 0.00 41.25 39.13 1ffv s ASN 9 CO 0.04 -0.84 -0.12 -0.69 -1.51 0.00 0.00 177.10 173.98 1ffv s VAL 10 N 3.30 2.59 -1.60 1.60 1.01 0.01 0.89 120.40 128.20 1ffv s VAL 10 Ca 0.33 -0.95 -0.04 0.00 0.00 0.00 0.00 61.98 61.32 1ffv s VAL 10 Cb -0.12 -2.22 0.01 0.00 0.00 0.00 0.00 36.38 34.04 1ffv s VAL 10 CO 0.20 0.35 0.46 0.59 0.00 0.00 0.00 175.10 176.70 1ffv n ASN 11 N 4.65 -5.99 0.00 3.32 3.02 0.12 -2.01 115.26 118.36 1ffv n ASN 11 Ca -0.18 -0.22 0.00 0.00 -0.03 0.00 0.00 54.58 54.15 1ffv n ASN 11 Cb 0.48 -4.88 0.00 0.00 -0.61 0.00 0.00 39.78 34.77 1ffv n ASN 11 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1ffv n GLY 12 N -1.39 0.53 3.24 7.41 0.00 -1.26 -5.03 105.19 108.69 1ffv n GLY 12 Ca -0.14 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.57 1ffv n GLY 12 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1ffv s LYS 13 N -0.01 2.35 0.01 1.61 2.20 -0.85 -5.09 119.74 119.96 1ffv s LYS 13 Ca 0.00 -0.84 -0.30 0.00 -0.36 0.00 0.00 55.97 54.46 1ffv s LYS 13 Cb 0.00 -2.02 -0.05 0.00 -1.51 0.00 0.00 37.83 34.25 1ffv s LYS 13 CO 0.00 0.37 1.32 0.00 -0.36 0.00 0.00 175.35 176.68 1ffv s ALA 14 N -0.16 3.53 -0.38 3.13 0.00 -1.26 -0.81 121.76 125.81 1ffv s ALA 14 Ca -0.03 0.84 0.00 0.00 0.00 0.00 0.00 51.96 52.77 1ffv s ALA 14 Cb -0.13 -3.55 0.11 0.00 0.00 0.00 0.00 23.12 19.55 1ffv s ALA 14 CO 0.03 -0.77 0.14 -0.65 0.00 0.00 0.00 175.76 174.51 1ffv s GLN 15 N 2.02 1.77 -0.36 0.00 -1.52 0.28 -4.96 119.66 116.89 1ffv s GLN 15 Ca 0.61 -1.87 -0.22 0.00 -1.95 0.00 0.00 55.36 51.93 1ffv s GLN 15 Cb -0.30 -3.41 0.01 0.00 -0.22 0.00 0.00 33.01 29.08 1ffv s GLN 15 CO 0.26 -1.02 0.72 -1.21 -0.25 0.00 0.00 175.29 173.80 1ffv s GLU 16 N 1.00 3.70 0.25 2.91 2.02 -1.26 -1.81 118.70 125.51 1ffv s GLU 16 Ca 0.10 0.18 -0.03 0.00 0.02 0.00 0.00 54.97 55.24 1ffv s GLU 16 Cb -0.21 -3.82 -0.02 0.00 0.10 0.00 0.00 34.13 30.18 1ffv s GLU 16 CO -0.06 -0.82 0.28 0.15 0.02 0.00 0.00 175.26 174.84 1ffv s LYS 17 N 2.95 1.45 -0.15 1.61 -0.14 -0.24 -5.00 119.74 120.22 1ffv s LYS 17 Ca 0.28 -1.60 -0.01 0.00 -1.36 0.00 0.00 55.97 53.28 1ffv s LYS 17 Cb -0.14 0.35 0.04 0.00 -1.68 0.00 0.00 37.83 36.40 1ffv s LYS 17 CO 0.16 -0.54 -0.02 0.00 -0.76 0.00 0.00 175.35 174.19 1ffv s ALA 18 N -3.88 1.21 0.07 5.17 0.00 -1.26 0.15 121.76 123.22 1ffv s ALA 18 Ca 0.34 -0.63 0.03 0.00 0.00 0.00 0.00 51.96 51.70 1ffv s ALA 18 Cb 0.04 -1.04 -0.03 0.00 0.00 0.00 0.00 23.12 22.08 1ffv s ALA 18 CO 0.14 -0.77 -0.09 0.14 0.00 0.00 0.00 175.76 175.18 1ffv s VAL 19 N 1.76 0.76 0.51 0.00 -7.23 -0.47 -4.77 120.40 110.96 1ffv s VAL 19 Ca 0.02 -1.38 -0.23 0.00 -1.81 0.00 0.00 61.98 58.59 1ffv s VAL 19 Cb -0.15 -1.02 -0.06 0.00 0.56 0.00 0.00 36.38 35.71 1ffv s VAL 19 CO -0.07 -0.47 1.30 -1.61 -0.31 0.00 0.00 175.10 173.94 1ffv s GLU 20 N -2.22 3.41 0.48 4.82 0.41 -1.26 -0.11 118.70 124.23 1ffv s GLU 20 Ca -0.02 2.09 0.21 0.00 -0.41 0.00 0.00 54.97 56.84 1ffv s GLU 20 Cb -0.06 -2.35 1.23 0.00 -1.78 0.00 0.00 34.13 31.17 1ffv s GLU 20 CO -0.00 -0.93 1.94 -1.35 -0.49 0.00 0.00 175.26 174.44 1ffv h PRO 21 N 1.76 0.21 0.00 0.39 0.11 -1.96 -2.02 132.00 130.49 1ffv h PRO 21 Ca -0.50 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.59 1ffv h PRO 21 Cb 1.28 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.34 1ffv h PRO 21 CO 0.59 0.14 0.00 2.89 -0.21 0.00 0.00 178.00 181.40 1ffv n ARG 22 N -4.42 0.49 -1.84 1.05 1.85 -1.26 -4.68 116.66 107.85 1ffv n ARG 22 Ca 0.13 0.04 -0.43 0.00 -1.00 0.00 0.00 57.85 56.59 1ffv n ARG 22 Cb 0.61 -1.50 -0.03 0.00 -1.05 0.00 0.00 32.46 30.49 1ffv n ARG 22 CO 0.00 0.00 0.00 0.99 -0.01 0.00 0.00 177.63 178.61 1ffv s THR 23 N -2.39 3.30 0.39 8.89 2.01 -0.76 -4.96 115.64 122.12 1ffv s THR 23 Ca 0.28 0.33 -0.26 0.00 0.31 0.00 0.00 61.69 62.35 1ffv s THR 23 Cb 0.17 -3.32 -0.09 0.00 0.01 0.00 0.00 72.50 69.27 1ffv s THR 23 CO 0.34 -0.14 1.23 -0.76 -0.69 0.00 0.00 174.62 174.60 1ffv s LEU 24 N 6.13 4.25 0.39 4.42 1.02 -1.26 -1.52 118.68 132.11 1ffv s LEU 24 Ca 0.85 2.50 0.11 0.00 0.02 0.00 0.00 54.13 57.61 1ffv s LEU 24 Cb -0.32 -3.91 0.90 0.00 0.02 0.00 0.00 46.19 42.89 1ffv s LEU 24 CO 0.34 -0.70 1.94 0.25 0.02 0.00 0.00 176.35 178.21 1ffv h LEU 25 N 2.81 0.52 -0.86 1.79 5.85 -0.30 -1.71 115.31 123.41 1ffv h LEU 25 Ca -0.49 0.02 -0.03 0.00 0.84 0.00 0.00 57.88 58.22 1ffv h LEU 25 Cb 1.24 -0.09 -0.04 0.00 0.37 0.00 0.00 40.66 42.14 1ffv h LEU 25 CO 0.63 0.30 0.43 -0.29 -0.34 0.00 0.00 178.44 179.18 1ffv h ILE 26 N 0.57 1.26 -0.01 4.05 6.09 -1.34 -1.21 117.51 126.91 1ffv h ILE 26 Ca 0.34 -0.69 -0.18 0.00 -1.37 0.00 0.00 64.86 62.96 1ffv h ILE 26 Cb 0.55 0.14 -0.01 0.00 0.47 0.00 0.00 36.82 37.97 1ffv h ILE 26 CO -0.12 0.30 -0.79 0.45 -3.07 0.00 0.00 178.15 174.93 1ffv h HIS 27 N 1.21 0.22 0.04 2.19 3.86 -1.64 -1.83 115.15 119.19 1ffv h HIS 27 Ca 0.30 -0.11 -0.00 0.00 -1.16 0.00 0.00 60.37 59.39 1ffv h HIS 27 Cb 0.08 -0.03 0.00 0.00 1.06 0.00 0.00 27.41 28.53 1ffv h HIS 27 CO 0.01 0.88 -0.02 0.35 0.86 0.00 0.00 177.93 180.01 1ffv h PHE 28 N 0.10 -0.05 -0.12 2.45 3.57 -0.78 0.94 116.94 123.05 1ffv h PHE 28 Ca -0.03 -0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.47 1ffv h PHE 28 Cb 1.37 0.02 -0.01 0.00 2.79 0.00 0.00 35.95 40.12 1ffv h PHE 28 CO 0.02 -0.02 0.05 -0.07 -2.23 0.00 0.00 178.31 176.06 1ffv h LEU 29 N -0.05 0.16 -0.12 0.59 3.38 -1.22 0.49 115.31 118.53 1ffv h LEU 29 Ca -0.01 -0.15 -0.11 0.00 0.09 0.00 0.00 57.88 57.71 1ffv h LEU 29 Cb 0.04 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 40.75 1ffv h LEU 29 CO 0.01 0.26 -0.35 0.03 0.09 0.00 0.00 178.44 178.47 1ffv h ARG 30 N 0.04 0.45 0.14 1.13 3.08 -1.18 0.06 114.38 118.11 1ffv h ARG 30 Ca 0.04 -0.32 -0.32 0.00 0.07 0.00 0.00 59.98 59.44 1ffv h ARG 30 Cb 0.15 0.05 -0.00 0.00 0.08 0.00 0.00 29.97 30.25 1ffv h ARG 30 CO -0.00 0.94 -1.65 0.93 -1.07 0.00 0.00 179.97 179.12 1ffv h GLU 31 N 0.04 0.31 0.19 0.04 4.39 0.89 -3.09 114.58 117.34 1ffv h GLU 31 Ca -0.01 -0.52 -0.34 0.00 0.34 0.00 0.00 59.36 58.82 1ffv h GLU 31 Cb 0.97 0.20 0.01 0.00 -0.10 0.00 0.00 28.75 29.83 1ffv h GLU 31 CO 0.08 1.25 -1.67 1.49 -1.16 0.00 0.00 179.01 179.00 1ffv h GLU 32 N -0.09 0.40 -0.01 2.33 4.57 -0.93 -3.39 114.58 117.46 1ffv h GLU 32 Ca -0.34 -0.68 0.00 0.00 -1.18 0.00 0.00 59.36 57.15 1ffv h GLU 32 Cb 1.94 0.25 0.00 0.00 -0.16 0.00 0.00 28.75 30.78 1ffv h GLU 32 CO 0.11 1.31 -0.21 1.28 -1.18 0.00 0.00 179.01 180.32 1ffv n LEU 33 N -3.59 1.84 -2.19 1.64 4.77 -1.04 -4.98 117.00 113.45 1ffv n LEU 33 Ca -0.22 -0.85 -0.21 0.00 -0.03 0.00 0.00 56.01 54.71 1ffv n LEU 33 Cb 1.08 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 42.14 1ffv n LEU 33 CO 0.53 0.34 -0.25 0.59 -1.33 0.00 0.00 177.39 177.28 1ffv n ASN 34 N 0.22 -5.78 -4.13 -1.43 5.03 -0.98 -4.87 115.26 103.33 1ffv n ASN 34 Ca 0.07 0.12 -0.43 0.00 0.87 0.00 0.00 54.58 55.22 1ffv n ASN 34 Cb 0.35 -4.88 0.00 0.00 -1.02 0.00 0.00 39.78 34.23 1ffv n ASN 34 CO 0.00 0.00 0.00 0.18 -1.83 0.00 0.00 177.26 175.61 1ffv n LEU 35 N -2.84 6.04 -0.35 3.41 4.77 -0.03 -4.82 117.00 123.18 1ffv n LEU 35 Ca -0.24 -4.78 0.00 0.00 -0.03 0.00 0.00 56.01 50.97 1ffv n LEU 35 Cb 0.69 -1.47 0.00 0.00 -2.33 0.00 0.00 43.42 40.30 1ffv n LEU 35 CO 0.29 1.26 0.32 0.35 -1.33 0.00 0.00 177.39 178.28 1ffv n THR 36 N 3.15 0.00 0.01 -5.08 -2.24 -1.26 -3.96 114.28 104.90 1ffv n THR 36 Ca 0.34 0.00 -0.13 0.00 -2.27 0.00 0.00 64.05 61.99 1ffv n THR 36 Cb 0.38 -0.34 -0.10 0.00 -2.10 0.00 0.00 70.33 68.17 1ffv n THR 36 CO 0.00 0.00 0.00 1.23 -0.57 0.00 0.00 175.07 175.73 1ffv h GLY 37 N 5.20 -0.08 -4.17 3.38 0.00 -1.95 -3.43 103.07 102.03 1ffv h GLY 37 Ca 0.00 0.03 -0.53 0.00 0.00 0.00 0.00 47.33 46.83 1ffv h GLY 37 CO 0.00 -0.03 0.85 0.00 0.00 0.00 0.00 176.54 177.36 1ffv s ALA 38 N -4.06 3.68 0.38 3.60 0.00 -1.26 -4.67 121.76 119.43 1ffv s ALA 38 Ca -0.15 1.57 0.07 0.00 0.00 0.00 0.00 51.96 53.44 1ffv s ALA 38 Cb 0.01 -3.63 -0.07 0.00 0.00 0.00 0.00 23.12 19.42 1ffv s ALA 38 CO 0.63 -1.01 0.00 -1.01 0.00 0.00 0.00 175.76 174.38 1ffv s HIS 39 N -0.40 2.35 -0.17 0.00 3.76 -0.71 -4.92 115.29 115.20 1ffv s HIS 39 Ca 0.59 -0.72 -0.01 0.00 -0.15 0.00 0.00 55.06 54.78 1ffv s HIS 39 Cb -0.47 -1.59 -0.00 0.00 1.11 0.00 0.00 32.58 31.63 1ffv s HIS 39 CO 0.53 0.36 -0.13 0.42 -0.85 0.00 0.00 174.74 175.07 1ffv s ILE 40 N -2.85 2.77 0.00 0.60 1.01 -1.26 -2.04 121.20 119.43 1ffv s ILE 40 Ca 0.35 -0.72 0.00 0.00 0.00 0.00 0.00 60.65 60.27 1ffv s ILE 40 Cb 0.08 -2.19 0.00 0.00 0.01 0.00 0.00 42.46 40.36 1ffv s ILE 40 CO 0.17 0.50 0.39 0.61 0.00 0.00 0.00 174.94 176.61 1ffv n GLY 41 N 4.24 -0.45 3.80 6.18 0.00 -1.26 -5.06 105.19 112.63 1ffv n GLY 41 Ca -0.19 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 45.81 1ffv n GLY 41 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ffv n GLU 43 N -0.59 0.18 -0.23 0.00 0.00 -1.26 -4.72 120.64 114.02 1ffv n GLU 43 Ca -0.05 -0.76 0.07 0.00 0.00 0.00 0.00 57.16 56.42 1ffv n GLU 43 Cb 0.60 -0.97 0.20 0.00 0.00 0.00 0.00 31.44 31.27 1ffv n GLU 43 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.13 177.38 1ffv n THR 44 N -0.14 0.98 -1.26 3.84 -2.24 -1.26 -5.00 114.28 109.19 1ffv n THR 44 Ca 0.00 -0.99 -0.09 0.00 -2.27 0.00 0.00 64.05 60.70 1ffv n THR 44 Cb 0.09 0.52 -0.04 0.00 -2.10 0.00 0.00 70.33 68.80 1ffv n THR 44 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 1ffv n SER 45 N 0.85 -4.12 -0.05 3.42 7.64 -1.26 -4.95 113.62 115.14 1ffv n SER 45 Ca 0.15 0.22 -0.22 0.00 1.01 0.00 0.00 58.87 60.04 1ffv n SER 45 Cb 0.48 -2.42 -0.13 0.00 -1.01 0.00 0.00 64.21 61.13 1ffv n SER 45 CO 0.00 0.00 0.00 1.41 -3.01 0.00 0.00 175.04 173.44 1ffv n HIS 46 N -2.73 0.97 0.11 1.43 8.25 -1.26 -4.66 115.22 117.33 1ffv n HIS 46 Ca -0.09 0.26 0.02 0.00 -0.26 0.00 0.00 57.72 57.65 1ffv n HIS 46 Cb 0.30 -1.12 0.39 0.00 1.12 0.00 0.00 29.99 30.69 1ffv n HIS 46 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1ffv n GLY 48 N -0.93 0.49 0.19 0.00 0.00 -1.19 -0.82 105.19 102.94 1ffv n GLY 48 Ca -0.00 -0.13 0.14 0.00 0.00 0.00 0.00 46.02 46.03 1ffv n GLY 48 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ffv h ALA 49 N 0.00 1.00 -0.67 4.61 0.00 -1.87 -2.33 119.26 120.01 1ffv h ALA 49 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.85 1ffv h ALA 49 Cb 0.61 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.40 1ffv h ALA 49 CO 0.09 0.00 0.00 0.00 0.00 0.00 0.00 179.25 179.34 1ffv n THR 51 N 1.53 0.34 -4.24 0.00 -1.04 -0.88 -2.41 114.28 107.58 1ffv n THR 51 Ca 0.23 -0.06 -0.13 0.00 -2.04 0.00 0.00 64.05 62.04 1ffv n THR 51 Cb 0.59 -2.09 -0.10 0.00 -1.82 0.00 0.00 70.33 66.90 1ffv n THR 51 CO 0.00 0.00 0.00 0.68 -0.64 0.00 0.00 175.07 175.11 1ffv s VAL 52 N 2.62 0.78 -0.42 12.58 -7.23 -0.58 -4.55 120.40 123.60 1ffv s VAL 52 Ca 0.82 -1.99 -0.16 0.00 -1.81 0.00 0.00 61.98 58.84 1ffv s VAL 52 Cb -0.49 -2.04 0.02 0.00 0.56 0.00 0.00 36.38 34.42 1ffv s VAL 52 CO 0.37 -0.55 0.37 -0.62 -0.31 0.00 0.00 175.10 174.36 1ffv s ASP 53 N -3.17 6.16 -0.23 4.85 2.15 -0.61 -1.28 116.67 124.53 1ffv s ASP 53 Ca 0.22 -0.78 -0.05 0.00 0.43 0.00 0.00 52.55 52.37 1ffv s ASP 53 Cb 0.05 -2.19 -0.01 0.00 -0.30 0.00 0.00 42.92 40.47 1ffv s ASP 53 CO 0.03 -0.52 -0.01 -0.63 -0.17 0.00 0.00 175.17 173.86 1ffv s ILE 54 N 1.92 3.62 -1.54 4.11 1.01 0.19 -1.08 121.20 129.43 1ffv s ILE 54 Ca 0.09 -0.41 -0.08 0.00 0.00 0.00 0.00 60.65 60.25 1ffv s ILE 54 Cb -0.18 -2.66 0.06 0.00 0.01 0.00 0.00 42.46 39.70 1ffv s ILE 54 CO 0.12 0.40 0.54 0.47 0.00 0.00 0.00 174.94 176.47 1ffv n ASP 55 N 4.80 -1.47 0.00 3.58 8.00 -0.48 -1.68 116.55 129.31 1ffv n ASP 55 Ca -0.18 -1.03 0.00 0.00 0.71 0.00 0.00 54.79 54.30 1ffv n ASP 55 Cb 0.51 -2.84 0.00 0.00 -0.02 0.00 0.00 41.12 38.77 1ffv n ASP 55 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1ffv n GLY 56 N -1.80 0.62 3.09 0.44 0.00 -1.26 -5.05 105.19 101.23 1ffv n GLY 56 Ca -0.16 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.72 1ffv n GLY 56 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1ffv s ARG 57 N -0.16 0.61 -0.12 1.61 0.52 -0.67 -5.10 118.95 115.63 1ffv s ARG 57 Ca 0.00 -0.84 -0.29 0.00 -0.52 0.00 0.00 55.73 54.08 1ffv s ARG 57 Cb 0.00 -0.41 -0.02 0.00 0.52 0.00 0.00 34.95 35.05 1ffv s ARG 57 CO 0.00 0.08 1.18 -1.12 0.02 0.00 0.00 175.30 175.46 1ffv s SER 58 N -1.70 7.04 -0.01 0.23 0.01 -1.26 -0.64 113.70 117.36 1ffv s SER 58 Ca -0.07 1.68 0.01 0.00 1.31 0.00 0.00 55.95 58.88 1ffv s SER 58 Cb -0.09 -2.55 0.01 0.00 0.21 0.00 0.00 66.02 63.60 1ffv s SER 58 CO 0.01 -0.65 -0.03 -0.69 0.41 0.00 0.00 173.24 172.29 1ffv s VAL 59 N 2.79 0.28 -0.67 3.43 1.01 -0.41 -4.95 120.40 121.88 1ffv s VAL 59 Ca 0.53 -0.09 -0.27 0.00 0.00 0.00 0.00 61.98 62.15 1ffv s VAL 59 Cb -0.22 -0.28 0.02 0.00 0.00 0.00 0.00 36.38 35.90 1ffv s VAL 59 CO 0.17 0.11 1.40 -0.54 0.00 0.00 0.00 175.10 176.24 1ffv s LYS 60 N 0.31 3.13 0.00 2.72 1.02 -1.26 -1.53 119.74 124.13 1ffv s LYS 60 Ca -0.03 0.07 0.00 0.00 0.02 0.00 0.00 55.97 56.03 1ffv s LYS 60 Cb -0.06 -4.20 0.00 0.00 -0.52 0.00 0.00 37.83 33.05 1ffv s LYS 60 CO -0.01 -2.18 0.92 -1.13 -0.92 0.00 0.00 175.35 172.03 1ffv n SER 61 N 9.96 0.00 -0.00 2.83 3.41 -1.01 -1.19 113.62 127.61 1ffv n SER 61 Ca 0.08 0.42 0.13 0.00 -0.26 0.00 0.00 58.87 59.24 1ffv n SER 61 Cb 0.50 -0.42 0.45 0.00 -0.26 0.00 0.00 64.21 64.47 1ffv n SER 61 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1ffv n THR 63 N -1.49 2.41 -3.69 0.00 -1.04 -0.33 -4.89 114.28 105.24 1ffv n THR 63 Ca 0.06 -4.04 -0.12 0.00 -2.04 0.00 0.00 64.05 57.91 1ffv n THR 63 Cb 0.34 -0.90 -0.09 0.00 -1.82 0.00 0.00 70.33 67.85 1ffv n THR 63 CO 0.00 0.00 0.00 -2.28 -0.64 0.00 0.00 175.07 172.15 1ffv s HIS 64 N -3.56 -0.62 0.19 -1.42 5.04 -1.25 -4.96 115.29 108.71 1ffv s HIS 64 Ca 0.48 1.43 -0.25 0.00 -1.54 0.00 0.00 55.06 55.19 1ffv s HIS 64 Cb 0.40 0.25 -0.08 0.00 0.04 0.00 0.00 32.58 33.18 1ffv s HIS 64 CO 0.03 -0.31 0.79 -0.51 -2.34 0.00 0.00 174.74 172.40 1ffv s LEU 65 N 0.60 4.53 0.26 8.88 1.43 -1.26 -0.15 118.68 132.98 1ffv s LEU 65 Ca -0.03 1.64 -0.04 0.00 -1.03 0.00 0.00 54.13 54.67 1ffv s LEU 65 Cb -0.05 -3.42 0.32 0.00 0.03 0.00 0.00 46.19 43.08 1ffv s LEU 65 CO -0.04 0.15 1.87 0.00 0.23 0.00 0.00 176.35 178.57 1ffv h ALA 66 N 4.06 1.23 0.00 4.21 0.00 -1.52 -2.12 119.26 125.12 1ffv h ALA 66 Ca -0.47 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.30 1ffv h ALA 66 Cb 1.20 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 18.68 1ffv h ALA 66 CO 0.66 0.60 0.00 1.55 0.00 0.00 0.00 179.25 182.06 1ffv n VAL 67 N -4.33 1.23 1.19 0.00 3.14 -1.26 -0.83 118.33 117.47 1ffv n VAL 67 Ca 0.08 0.34 0.12 0.00 -2.96 0.00 0.00 64.34 61.92 1ffv n VAL 67 Cb 0.12 -1.19 0.38 0.00 -1.06 0.00 0.00 33.84 32.09 1ffv n VAL 67 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1ffv n GLN 68 N -1.64 1.86 -0.19 1.45 6.02 -0.80 -4.09 117.38 119.99 1ffv n GLN 68 Ca 0.02 -1.28 0.06 0.00 -0.01 0.00 0.00 57.00 55.79 1ffv n GLN 68 Cb 0.13 -1.45 0.17 0.00 1.02 0.00 0.00 30.24 30.11 1ffv n GLN 68 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1ffv s ASP 70 N -1.00 4.68 0.00 0.00 2.15 -1.26 -0.29 116.67 120.95 1ffv s ASP 70 Ca 0.25 1.23 0.00 0.00 0.43 0.00 0.00 52.55 54.46 1ffv s ASP 70 Cb 0.13 -2.50 0.00 0.00 -0.30 0.00 0.00 42.92 40.25 1ffv s ASP 70 CO 0.18 -2.67 0.00 0.61 -0.17 0.00 0.00 175.17 173.11 1ffv n GLY 71 N 5.94 0.30 3.73 2.66 0.00 0.60 -4.93 105.19 113.50 1ffv n GLY 71 Ca 0.35 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 46.07 1ffv n GLY 71 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1ffv s SER 72 N -2.04 3.72 -0.40 1.61 0.01 0.60 -4.76 113.70 112.45 1ffv s SER 72 Ca 0.00 1.50 -0.08 0.00 1.31 0.00 0.00 55.95 58.69 1ffv s SER 72 Cb 0.00 -2.19 0.08 0.00 0.21 0.00 0.00 66.02 64.11 1ffv s SER 72 CO 0.00 -2.48 0.22 -1.61 0.41 0.00 0.00 173.24 169.78 1ffv s GLU 73 N -4.96 2.53 -0.12 12.44 0.41 -1.26 -1.52 118.70 126.21 1ffv s GLU 73 Ca 0.63 -1.46 -0.04 0.00 -0.41 0.00 0.00 54.97 53.69 1ffv s GLU 73 Cb -0.17 -3.69 -0.03 0.00 -1.78 0.00 0.00 34.13 28.45 1ffv s GLU 73 CO 0.56 -0.92 0.02 0.08 -0.49 0.00 0.00 175.26 174.52 1ffv s VAL 74 N 1.38 4.47 -0.12 2.63 1.01 0.26 -1.38 120.40 128.66 1ffv s VAL 74 Ca 0.03 -0.17 0.03 0.00 0.00 0.00 0.00 61.98 61.87 1ffv s VAL 74 Cb -0.22 -2.93 0.01 0.00 0.00 0.00 0.00 36.38 33.23 1ffv s VAL 74 CO 0.01 0.56 -0.22 -0.76 0.00 0.00 0.00 175.10 174.69 1ffv s LEU 75 N -0.41 2.04 0.34 3.92 1.43 -0.24 0.11 118.68 125.87 1ffv s LEU 75 Ca 0.08 -0.55 0.09 0.00 -1.03 0.00 0.00 54.13 52.72 1ffv s LEU 75 Cb -0.12 -1.36 -0.06 0.00 0.03 0.00 0.00 46.19 44.67 1ffv s LEU 75 CO 0.02 0.11 -0.08 0.42 0.23 0.00 0.00 176.35 177.05 1ffv s THR 76 N 0.61 2.13 0.45 5.49 -4.23 -1.26 -1.58 115.64 117.26 1ffv s THR 76 Ca -0.13 -2.18 0.22 0.00 -1.18 0.00 0.00 61.69 58.42 1ffv s THR 76 Cb -0.17 -2.65 0.41 0.00 1.34 0.00 0.00 72.50 71.44 1ffv s THR 76 CO 0.03 -0.20 1.86 1.62 -0.54 0.00 0.00 174.62 177.40 1ffv h VAL 77 N 2.04 0.63 0.00 2.29 3.04 -1.91 0.13 116.25 122.48 1ffv h VAL 77 Ca -0.42 -0.09 0.00 0.00 -1.01 0.00 0.00 66.70 65.18 1ffv h VAL 77 Cb 1.25 0.33 0.00 0.00 -2.01 0.00 0.00 31.29 30.86 1ffv h VAL 77 CO 0.71 0.05 0.00 -0.33 -1.01 0.00 0.00 177.57 176.99 1ffv h GLU 78 N 0.28 0.00 -0.51 4.17 3.07 -1.98 -2.66 114.58 116.95 1ffv h GLU 78 Ca 0.46 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.32 1ffv h GLU 78 Cb 1.34 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.25 1ffv h GLU 78 CO -0.13 0.00 0.00 0.41 -1.40 0.00 0.00 179.01 177.89 1ffv n GLY 79 N -0.86 2.32 0.10 -3.84 0.00 0.47 -4.57 105.19 98.80 1ffv n GLY 79 Ca -0.02 -0.62 -0.14 0.00 0.00 0.00 0.00 46.02 45.23 1ffv n GLY 79 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1ffv h LEU 80 N 3.47 0.24 -9.78 0.99 3.38 -1.54 -3.45 115.31 108.62 1ffv h LEU 80 Ca 0.00 -0.64 -0.53 0.00 0.09 0.00 0.00 57.88 56.80 1ffv h LEU 80 Cb 0.88 -0.07 0.06 0.00 0.09 0.00 0.00 40.66 41.62 1ffv h LEU 80 CO 0.00 0.84 0.72 0.00 0.09 0.00 0.00 178.44 180.09 1ffv s ALA 81 N -3.65 3.58 -0.18 1.53 0.00 -1.26 -4.38 121.76 117.39 1ffv s ALA 81 Ca -0.15 1.30 -0.01 0.00 0.00 0.00 0.00 51.96 53.10 1ffv s ALA 81 Cb 0.02 -3.53 0.00 0.00 0.00 0.00 0.00 23.12 19.62 1ffv s ALA 81 CO 0.74 -0.70 -0.14 1.21 0.00 0.00 0.00 175.76 176.86 1ffv s ASN 82 N 0.11 3.65 -1.43 0.00 2.47 -0.57 -4.65 114.94 114.52 1ffv s ASN 82 Ca 0.56 -0.51 -0.06 0.00 0.42 0.00 0.00 52.86 53.26 1ffv s ASN 82 Cb -0.41 -1.58 0.03 0.00 -1.45 0.00 0.00 41.25 37.84 1ffv s ASN 82 CO 0.46 0.02 0.53 1.17 -3.72 0.00 0.00 177.10 175.57 1ffv n LYS 83 N 4.49 -4.18 0.00 0.43 4.81 -1.26 -1.45 118.16 120.99 1ffv n LYS 83 Ca -0.19 0.73 0.00 0.00 -0.87 0.00 0.00 58.31 57.97 1ffv n LYS 83 Cb 0.51 -5.52 0.00 0.00 0.02 0.00 0.00 35.03 30.04 1ffv n LYS 83 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1ffv n GLY 84 N -1.36 2.90 3.67 3.14 0.00 -1.26 -5.00 105.19 107.28 1ffv n GLY 84 Ca -0.08 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.52 1ffv n GLY 84 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ffv s VAL 85 N -1.42 4.16 0.51 1.61 1.01 -0.53 -4.99 120.40 120.76 1ffv s VAL 85 Ca 0.00 1.45 -0.23 0.00 0.00 0.00 0.00 61.98 63.20 1ffv s VAL 85 Cb 0.00 -3.93 -0.06 0.00 0.00 0.00 0.00 36.38 32.39 1ffv s VAL 85 CO 0.00 -0.07 1.37 -0.76 0.00 0.00 0.00 175.10 175.64 1ffv s LEU 86 N 3.01 3.94 0.59 3.92 1.43 -1.26 -1.51 118.68 128.79 1ffv s LEU 86 Ca 0.57 2.79 -0.17 0.00 -1.03 0.00 0.00 54.13 56.30 1ffv s LEU 86 Cb -0.25 -4.17 -0.04 0.00 0.03 0.00 0.00 46.19 41.77 1ffv s LEU 86 CO 0.19 -1.43 1.08 -2.28 0.23 0.00 0.00 176.35 174.14 1ffv s HIS 87 N -1.28 2.85 0.43 0.29 5.65 -1.26 -4.77 115.29 117.20 1ffv s HIS 87 Ca 0.68 1.53 0.22 0.00 0.25 0.00 0.00 55.06 57.75 1ffv s HIS 87 Cb -0.41 -3.10 1.21 0.00 -1.18 0.00 0.00 32.58 29.10 1ffv s HIS 87 CO 0.50 -1.30 1.79 0.00 -0.65 0.00 0.00 174.74 175.08 1ffv h ALA 88 N 0.57 2.43 -0.40 1.58 0.00 -1.94 0.51 119.26 122.01 1ffv h ALA 88 Ca -0.48 0.04 -0.12 0.00 0.00 0.00 0.00 54.91 54.35 1ffv h ALA 88 Cb 1.23 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 19.05 1ffv h ALA 88 CO 0.57 -0.80 -0.21 -0.24 0.00 0.00 0.00 179.25 178.56 1ffv h VAL 89 N 0.30 1.28 -0.31 0.00 3.04 -1.90 0.37 116.25 119.03 1ffv h VAL 89 Ca 0.57 -1.36 -0.16 0.00 -1.01 0.00 0.00 66.70 64.75 1ffv h VAL 89 Cb 1.63 1.30 -0.00 0.00 -2.01 0.00 0.00 31.29 32.21 1ffv h VAL 89 CO -0.22 0.45 -0.42 1.56 -1.01 0.00 0.00 177.57 177.93 1ffv h GLN 90 N 0.66 0.83 -0.70 4.17 4.20 -1.32 -2.42 115.11 120.52 1ffv h GLN 90 Ca 0.09 -0.48 -0.06 0.00 0.06 0.00 0.00 58.65 58.26 1ffv h GLN 90 Cb 0.78 0.04 -0.03 0.00 0.30 0.00 0.00 27.48 28.56 1ffv h GLN 90 CO 0.06 1.11 0.21 1.49 -0.67 0.00 0.00 178.83 181.03 1ffv h GLU 91 N 0.61 1.10 -0.31 1.46 4.81 -1.09 -2.00 114.58 119.16 1ffv h GLU 91 Ca 0.04 -0.24 -0.01 0.00 -0.13 0.00 0.00 59.36 59.02 1ffv h GLU 91 Cb 1.02 -0.16 -0.01 0.00 0.63 0.00 0.00 28.75 30.22 1ffv h GLU 91 CO 0.10 0.94 0.15 0.78 -0.73 0.00 0.00 179.01 180.25 1ffv h GLY 92 N 1.09 0.47 1.71 1.92 0.00 -0.80 0.27 103.07 107.74 1ffv h GLY 92 Ca 0.23 -0.23 -0.05 0.00 0.00 0.00 0.00 47.33 47.28 1ffv h GLY 92 CO -0.01 0.22 -0.09 0.74 0.00 0.00 0.00 176.54 177.40 1ffv h PHE 93 N 0.36 0.37 0.22 5.60 -1.00 -1.23 -1.44 116.94 119.82 1ffv h PHE 93 Ca 0.11 -0.04 -0.01 0.00 2.81 0.00 0.00 57.97 60.83 1ffv h PHE 93 Cb 0.11 -0.11 0.00 0.00 3.61 0.00 0.00 35.95 39.56 1ffv h PHE 93 CO -0.02 0.45 -0.10 -0.92 -1.61 0.00 0.00 178.31 176.10 1ffv h TYR 94 N 0.34 -0.27 -0.41 -0.55 3.20 -1.06 0.71 116.97 118.93 1ffv h TYR 94 Ca 0.07 -0.01 -0.03 0.00 3.14 0.00 0.00 58.73 61.91 1ffv h TYR 94 Cb 0.38 0.09 -0.02 0.00 1.54 0.00 0.00 36.73 38.71 1ffv h TYR 94 CO 0.01 0.12 0.14 0.87 -1.64 0.00 0.00 178.16 177.65 1ffv h LYS 95 N -0.87 0.59 -0.61 1.82 1.79 -0.90 -2.90 116.57 115.49 1ffv h LYS 95 Ca -0.03 -0.09 0.00 0.00 -2.18 0.00 0.00 60.65 58.35 1ffv h LYS 95 Cb 0.51 -0.11 0.00 0.00 -1.58 0.00 0.00 32.23 31.05 1ffv h LYS 95 CO 0.05 0.51 0.00 0.39 -1.08 0.00 0.00 179.45 179.32 1ffv n GLU 96 N -4.35 2.47 -3.69 3.15 -0.58 -0.55 -4.97 120.64 112.12 1ffv n GLU 96 Ca 0.03 -2.28 -0.21 0.00 -0.42 0.00 0.00 57.16 54.27 1ffv n GLU 96 Cb 0.17 -1.50 0.03 0.00 -0.57 0.00 0.00 31.44 29.57 1ffv n GLU 96 CO 0.00 0.00 0.00 1.58 -0.48 0.00 0.00 177.13 178.23 1ffv n HIS 97 N 1.37 -1.92 1.46 -0.32 -0.00 -1.00 -4.80 115.22 110.00 1ffv n HIS 97 Ca 0.21 0.84 0.03 0.00 -0.00 0.00 0.00 57.72 58.80 1ffv n HIS 97 Cb 0.54 -4.40 0.08 0.00 -0.00 0.00 0.00 29.99 26.20 1ffv n HIS 97 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 1ffv n GLY 98 N -1.56 -0.20 3.15 1.57 0.00 0.21 -4.79 105.19 103.57 1ffv n GLY 98 Ca -0.30 -0.18 -0.13 0.00 0.00 0.00 0.00 46.02 45.41 1ffv n GLY 98 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 1ffv s LEU 99 N -1.00 1.09 0.00 0.99 2.34 -1.26 -4.69 118.68 116.15 1ffv s LEU 99 Ca 0.11 0.29 0.00 0.00 0.06 0.00 0.00 54.13 54.59 1ffv s LEU 99 Cb 0.06 0.92 0.00 0.00 -0.56 0.00 0.00 46.19 46.61 1ffv s LEU 99 CO 0.08 -0.22 0.00 0.00 -1.06 0.00 0.00 176.35 175.15 1ffv n GLN 100 N 2.31 0.00 0.20 1.48 6.02 -1.26 -4.84 117.38 121.28 1ffv n GLN 100 Ca -0.17 0.00 0.13 0.00 -0.01 0.00 0.00 57.00 56.95 1ffv n GLN 100 Cb 0.57 -0.00 0.32 0.00 1.02 0.00 0.00 30.24 32.14 1ffv n GLN 100 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1ffv n GLY 102 N 0.94 0.94 0.23 0.00 0.00 -1.26 -4.94 105.19 101.10 1ffv n GLY 102 Ca 0.04 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.93 1ffv n GLY 102 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1ffv h PHE 103 N 0.00 0.93 -0.00 1.61 3.57 -1.98 -3.03 116.94 118.04 1ffv h PHE 103 Ca 0.00 -0.27 0.00 0.00 3.53 0.00 0.00 57.97 61.23 1ffv h PHE 103 Cb 0.00 -0.20 0.00 0.00 2.79 0.00 0.00 35.95 38.54 1ffv h PHE 103 CO 0.00 1.04 -0.28 0.00 -2.23 0.00 0.00 178.31 176.83 1ffv h THR 105 N 0.00 0.60 -0.64 0.00 2.02 -1.91 -1.26 112.91 111.72 1ffv h THR 105 Ca 0.00 0.00 0.08 0.00 0.77 0.00 0.00 66.41 67.26 1ffv h THR 105 Cb 0.50 0.60 -0.04 0.00 -1.74 0.00 0.00 68.15 67.47 1ffv h THR 105 CO 0.00 0.00 0.43 -0.65 0.37 0.00 0.00 175.52 175.67 1ffv h PRO 106 N -0.24 0.55 -0.13 6.66 0.11 -1.77 0.10 132.00 137.28 1ffv h PRO 106 Ca 0.07 -0.03 -0.19 0.00 0.11 0.00 0.00 66.00 65.96 1ffv h PRO 106 Cb 0.33 -0.12 -0.00 0.00 0.11 0.00 0.00 31.00 31.31 1ffv h PRO 106 CO -0.19 0.36 -0.69 0.78 -0.21 0.00 0.00 178.00 178.05 1ffv h GLY 107 N 0.57 0.61 0.97 -0.55 0.00 -1.61 -2.15 103.07 100.91 1ffv h GLY 107 Ca 0.29 -0.82 -0.10 0.00 0.00 0.00 0.00 47.33 46.70 1ffv h GLY 107 CO -0.09 0.73 -0.14 -0.33 0.00 0.00 0.00 176.54 176.71 1ffv h MET 108 N 0.39 0.74 -0.23 4.80 2.86 -0.48 -1.80 114.93 121.21 1ffv h MET 108 Ca -0.03 -0.31 -0.02 0.00 -2.06 0.00 0.00 59.70 57.29 1ffv h MET 108 Cb 1.28 -0.03 -0.01 0.00 0.06 0.00 0.00 31.60 32.90 1ffv h MET 108 CO 0.13 0.92 0.08 -0.07 1.06 0.00 0.00 176.91 179.03 1ffv h LEU 109 N 0.53 0.33 -1.19 1.22 3.38 -0.80 0.11 115.31 118.90 1ffv h LEU 109 Ca 0.09 -0.19 -0.05 0.00 0.09 0.00 0.00 57.88 57.81 1ffv h LEU 109 Cb 0.68 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 41.32 1ffv h LEU 109 CO 0.05 0.44 0.02 0.24 0.09 0.00 0.00 178.44 179.28 1ffv h MET 110 N 0.21 0.58 -0.13 1.13 2.86 -1.37 0.54 114.93 118.76 1ffv h MET 110 Ca 0.08 -0.12 -0.12 0.00 -2.06 0.00 0.00 59.70 57.47 1ffv h MET 110 Cb 0.22 -0.09 0.00 0.00 0.06 0.00 0.00 31.60 31.80 1ffv h MET 110 CO -0.00 0.59 -0.40 -0.09 1.06 0.00 0.00 176.91 178.06 1ffv h ARG 111 N 0.56 0.51 -0.32 1.72 9.65 -1.11 -3.04 114.38 122.34 1ffv h ARG 111 Ca 0.12 -0.37 -0.05 0.00 -1.10 0.00 0.00 59.98 58.58 1ffv h ARG 111 Cb 0.32 0.06 -0.02 0.00 -1.39 0.00 0.00 29.97 28.95 1ffv h ARG 111 CO 0.01 0.99 -0.03 0.00 2.80 0.00 0.00 179.97 183.74 1ffv h ALA 112 N 0.52 1.35 -0.47 2.80 0.00 -0.42 0.18 119.26 123.21 1ffv h ALA 112 Ca -0.01 -0.22 0.02 0.00 0.00 0.00 0.00 54.91 54.70 1ffv h ALA 112 Cb 1.02 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.64 1ffv h ALA 112 CO 0.09 0.45 0.29 -0.92 0.00 0.00 0.00 179.25 179.15 1ffv h TYR 113 N 0.49 0.54 0.04 0.00 3.20 -0.89 -1.37 116.97 118.97 1ffv h TYR 113 Ca 0.10 0.02 -0.16 0.00 3.14 0.00 0.00 58.73 61.82 1ffv h TYR 113 Cb 0.37 -0.17 0.02 0.00 1.54 0.00 0.00 36.73 38.48 1ffv h TYR 113 CO 0.01 0.32 -0.67 -0.09 -1.64 0.00 0.00 178.16 176.09 1ffv h ARG 114 N 0.57 0.38 -0.72 1.82 9.65 -1.36 -3.33 114.38 121.39 1ffv h ARG 114 Ca 0.18 -0.46 0.12 0.00 -1.10 0.00 0.00 59.98 58.72 1ffv h ARG 114 Cb -0.00 0.14 -0.08 0.00 -1.39 0.00 0.00 29.97 28.64 1ffv h ARG 114 CO -0.07 1.14 0.31 0.35 2.80 0.00 0.00 179.97 184.50 1ffv h PHE 115 N -0.17 0.54 0.00 2.20 3.57 -0.54 -0.23 116.94 122.30 1ffv h PHE 115 Ca -0.09 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.44 1ffv h PHE 115 Cb 1.41 -0.13 0.00 0.00 2.79 0.00 0.00 35.95 40.02 1ffv h PHE 115 CO 0.16 0.12 0.00 -0.07 -2.23 0.00 0.00 178.31 176.29 1ffv h LEU 116 N 0.49 0.00 0.12 0.59 4.07 -1.36 0.17 115.31 119.38 1ffv h LEU 116 Ca 0.38 0.00 -0.34 0.00 0.08 0.00 0.00 57.88 58.00 1ffv h LEU 116 Cb 0.52 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 42.24 1ffv h LEU 116 CO -0.35 0.00 -1.78 1.56 -1.08 0.00 0.00 178.44 176.79 1ffv h GLN 117 N 0.00 0.25 -0.47 1.13 4.20 -1.18 -2.97 115.11 116.07 1ffv h GLN 117 Ca 0.00 -0.43 -0.11 0.00 0.06 0.00 0.00 58.65 58.17 1ffv h GLN 117 Cb 0.23 0.16 -0.02 0.00 0.30 0.00 0.00 27.48 28.16 1ffv h GLN 117 CO 0.00 1.11 -0.14 0.93 -0.67 0.00 0.00 178.83 180.06 1ffv h GLU 118 N 0.07 0.89 -2.57 1.46 5.08 -0.66 -3.39 114.58 115.45 1ffv h GLU 118 Ca -0.34 -0.33 -0.49 0.00 -1.00 0.00 0.00 59.36 57.20 1ffv h GLU 118 Cb 2.04 -0.06 -0.38 0.00 0.50 0.00 0.00 28.75 30.86 1ffv h GLU 118 CO 0.13 0.97 -0.76 1.21 -1.00 0.00 0.00 179.01 179.55 1ffv s ASN 119 N -6.69 2.92 0.32 1.42 3.84 0.52 -5.04 114.94 112.23 1ffv s ASN 119 Ca -0.10 -1.41 0.05 0.00 0.21 0.00 0.00 52.86 51.61 1ffv s ASN 119 Cb 0.13 -0.14 0.56 0.00 -0.55 0.00 0.00 41.25 41.25 1ffv s ASN 119 CO 0.84 -0.39 1.81 -0.65 -2.79 0.00 0.00 177.10 175.92 1ffv h PRO 120 N 7.98 0.39 -2.12 0.43 0.11 -1.73 -3.36 132.00 133.70 1ffv h PRO 120 Ca -0.11 -0.12 -0.59 0.00 0.11 0.00 0.00 66.00 65.29 1ffv h PRO 120 Cb 1.02 -0.04 -0.41 0.00 0.11 0.00 0.00 31.00 31.68 1ffv h PRO 120 CO 0.36 0.57 -0.78 0.27 -0.21 0.00 0.00 178.00 178.22 1ffv n ASN 121 N -4.18 2.50 -4.78 -2.05 6.94 -1.26 -4.84 115.26 107.59 1ffv n ASN 121 Ca -0.00 -3.18 -0.37 0.00 -0.02 0.00 0.00 54.58 51.00 1ffv n ASN 121 Cb 0.34 -0.66 -0.05 0.00 -2.36 0.00 0.00 39.78 37.05 1ffv n ASN 121 CO 0.00 0.00 0.00 -2.16 -1.03 0.00 0.00 177.26 174.07 1ffv s PRO 122 N -2.04 4.38 0.69 -0.53 0.04 -1.26 -5.07 135.00 131.22 1ffv s PRO 122 Ca 0.38 1.47 -0.07 0.00 0.04 0.00 0.00 61.00 62.82 1ffv s PRO 122 Cb 0.16 -2.71 0.05 0.00 0.04 0.00 0.00 34.50 32.04 1ffv s PRO 122 CO -0.05 0.06 1.01 0.95 0.04 0.00 0.00 177.00 179.02 1ffv s THR 123 N -1.59 2.64 0.15 1.26 -4.23 -1.26 -4.84 115.64 107.77 1ffv s THR 123 Ca 0.53 -0.13 -0.17 0.00 -1.18 0.00 0.00 61.69 60.75 1ffv s THR 123 Cb -0.22 -3.14 0.01 0.00 1.34 0.00 0.00 72.50 70.49 1ffv s THR 123 CO 0.27 -0.15 1.75 -0.08 -0.54 0.00 0.00 174.62 175.87 1ffv h GLU 124 N -0.56 0.25 -0.86 3.99 4.81 -1.98 0.19 114.58 120.42 1ffv h GLU 124 Ca -0.45 -0.01 0.05 0.00 -0.13 0.00 0.00 59.36 58.82 1ffv h GLU 124 Cb 1.30 -0.06 -0.06 0.00 0.63 0.00 0.00 28.75 30.57 1ffv h GLU 124 CO 0.61 0.16 0.54 0.00 -0.73 0.00 0.00 179.01 179.60 1ffv h ALA 125 N 1.21 1.17 -0.49 2.92 0.00 -1.99 0.35 119.26 122.42 1ffv h ALA 125 Ca 0.15 -0.02 -0.07 0.00 0.00 0.00 0.00 54.91 54.97 1ffv h ALA 125 Cb 0.12 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 1ffv h ALA 125 CO -0.15 0.31 0.03 0.93 0.00 0.00 0.00 179.25 180.37 1ffv h GLU 126 N 1.00 0.79 -0.09 0.00 5.08 -1.73 -1.50 114.58 118.13 1ffv h GLU 126 Ca 0.37 -0.20 -0.02 0.00 -1.00 0.00 0.00 59.36 58.50 1ffv h GLU 126 Cb 0.13 -0.10 -0.00 0.00 0.50 0.00 0.00 28.75 29.27 1ffv h GLU 126 CO -0.16 0.78 -0.03 0.82 -1.00 0.00 0.00 179.01 179.42 1ffv h ILE 127 N 0.75 1.31 -0.73 3.13 2.04 0.35 0.45 117.51 124.80 1ffv h ILE 127 Ca 0.15 -1.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.01 1ffv h ILE 127 Cb 0.41 1.78 -0.04 0.00 -0.74 0.00 0.00 36.82 38.23 1ffv h ILE 127 CO 0.01 0.28 0.43 0.03 0.00 0.00 0.00 178.15 178.91 1ffv h ARG 128 N -0.16 1.01 -0.22 2.37 3.08 -0.90 -0.48 114.38 119.09 1ffv h ARG 128 Ca 0.02 -0.10 -0.14 0.00 0.07 0.00 0.00 59.98 59.83 1ffv h ARG 128 Cb 0.46 -0.21 0.00 0.00 0.08 0.00 0.00 29.97 30.30 1ffv h ARG 128 CO 0.01 0.72 -0.43 1.98 -1.07 0.00 0.00 179.97 181.19 1ffv h MET 129 N 1.01 0.67 0.00 0.04 4.05 -1.24 -2.40 114.93 117.06 1ffv h MET 129 Ca 0.26 -0.43 0.00 0.00 -0.28 0.00 0.00 59.70 59.25 1ffv h MET 129 Cb -0.01 0.05 0.00 0.00 -0.80 0.00 0.00 31.60 30.84 1ffv h MET 129 CO -0.05 1.05 0.00 0.78 0.23 0.00 0.00 176.91 178.93 1ffv h GLY 130 N 0.38 0.00 -1.64 1.39 0.00 0.25 -2.44 103.07 101.00 1ffv h GLY 130 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.34 1ffv h GLY 130 CO 0.10 0.00 0.00 1.03 0.00 0.00 0.00 176.54 177.67 1ffv n MET 131 N -2.98 2.39 0.25 4.80 2.00 -0.22 -4.70 117.12 118.66 1ffv n MET 131 Ca -0.00 -2.05 0.15 0.00 0.00 0.00 0.00 57.70 55.79 1ffv n MET 131 Cb 0.23 -1.36 0.79 0.00 0.00 0.00 0.00 33.22 32.88 1ffv n MET 131 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1ffv h THR 132 N 2.88 0.00 -0.25 2.03 1.03 -0.92 -1.88 112.91 115.81 1ffv h THR 132 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 66.41 66.40 1ffv h THR 132 Cb 0.78 0.64 0.00 0.00 -1.07 0.00 0.00 68.15 68.50 1ffv h THR 132 CO 0.00 0.00 0.00 0.61 -0.01 0.00 0.00 175.52 176.12 1ffv n GLY 133 N -1.21 0.49 3.12 2.99 0.00 -1.26 -4.81 105.19 104.51 1ffv n GLY 133 Ca -0.02 -0.42 -0.33 0.00 0.00 0.00 0.00 46.02 45.25 1ffv n GLY 133 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1ffv s ASN 134 N -1.34 3.14 0.12 1.61 0.01 -0.71 -3.14 114.94 114.63 1ffv s ASN 134 Ca 0.29 -0.65 -0.12 0.00 -0.71 0.00 0.00 52.86 51.68 1ffv s ASN 134 Cb 0.16 -1.48 -0.06 0.00 0.41 0.00 0.00 41.25 40.27 1ffv s ASN 134 CO 0.23 0.00 0.48 -0.76 -1.51 0.00 0.00 177.10 175.53 1ffv s LEU 135 N 1.27 4.33 -0.02 0.60 1.02 0.00 -5.00 118.68 120.88 1ffv s LEU 135 Ca 0.05 0.93 0.00 0.00 0.02 0.00 0.00 54.13 55.13 1ffv s LEU 135 Cb -0.13 -3.15 0.02 0.00 0.02 0.00 0.00 46.19 42.95 1ffv s LEU 135 CO -0.12 0.13 0.00 0.00 0.02 0.00 0.00 176.35 176.37 1ffv n ARG 137 N 4.01 0.63 -0.09 0.00 5.12 -1.26 -4.67 116.66 120.41 1ffv n ARG 137 Ca -0.26 0.15 -0.22 0.00 -1.93 0.00 0.00 57.85 55.59 1ffv n ARG 137 Cb 0.51 -1.74 -0.12 0.00 -1.16 0.00 0.00 32.46 29.96 1ffv n ARG 137 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1ffv h THR 139 N -0.78 1.56 0.00 0.00 1.35 -1.92 -3.48 112.91 109.65 1ffv h THR 139 Ca -0.39 -2.75 0.00 0.00 -0.55 0.00 0.00 66.41 62.72 1ffv h THR 139 Cb 1.48 2.50 0.00 0.00 -1.73 0.00 0.00 68.15 70.39 1ffv h THR 139 CO -0.17 0.79 0.00 0.61 -0.25 0.00 0.00 175.52 176.50 1ffv n GLY 140 N 0.83 0.47 4.86 5.82 0.00 -1.26 -4.23 105.19 111.67 1ffv n GLY 140 Ca -0.01 -0.31 0.00 0.00 0.00 0.00 0.00 46.02 45.69 1ffv n GLY 140 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1ffv n TYR 141 N -3.00 0.00 -0.26 1.61 4.01 -1.26 -4.77 117.16 113.50 1ffv n TYR 141 Ca 0.00 0.00 0.06 0.00 -0.16 0.00 0.00 57.90 57.80 1ffv n TYR 141 Cb 0.00 -0.23 0.19 0.00 -0.31 0.00 0.00 39.34 38.99 1ffv n TYR 141 CO 0.00 0.00 0.00 0.37 -0.46 0.00 0.00 176.86 176.77 1ffv h GLN 142 N 0.08 0.30 0.00 -0.72 4.15 -2.01 0.18 115.11 117.09 1ffv h GLN 142 Ca 0.00 -0.02 -0.07 0.00 0.77 0.00 0.00 58.65 59.34 1ffv h GLN 142 Cb 0.00 -0.07 -0.01 0.00 0.21 0.00 0.00 27.48 27.61 1ffv h GLN 142 CO 0.00 0.20 -0.32 -0.91 -1.93 0.00 0.00 178.83 175.87 1ffv h ASN 143 N 0.31 0.00 -0.47 -0.69 4.21 -1.86 -3.10 115.58 113.98 1ffv h ASN 143 Ca 0.43 0.00 -0.13 0.00 1.21 0.00 0.00 56.30 57.81 1ffv h ASN 143 Cb 0.73 0.00 -0.01 0.00 -1.12 0.00 0.00 38.32 37.92 1ffv h ASN 143 CO -0.50 0.32 -0.23 0.40 -1.29 0.00 0.00 177.43 176.13 1ffv h ILE 144 N 0.00 1.27 -0.14 2.81 2.04 -1.28 0.14 117.51 122.35 1ffv h ILE 144 Ca -0.00 -1.39 -0.09 0.00 1.00 0.00 0.00 64.86 64.37 1ffv h ILE 144 Cb 1.20 1.15 -0.01 0.00 -0.74 0.00 0.00 36.82 38.42 1ffv h ILE 144 CO 0.04 0.48 -0.32 -0.37 0.00 0.00 0.00 178.15 177.98 1ffv h VAL 145 N 0.84 1.27 -0.51 1.67 -1.51 -1.28 -1.01 116.25 115.72 1ffv h VAL 145 Ca 0.11 -1.30 -0.12 0.00 -1.23 0.00 0.00 66.70 64.16 1ffv h VAL 145 Cb 0.81 1.52 -0.02 0.00 -2.13 0.00 0.00 31.29 31.48 1ffv h VAL 145 CO 0.07 0.39 -0.15 0.11 -1.23 0.00 0.00 177.57 176.76 1ffv h LYS 146 N 0.23 1.00 -0.64 5.19 1.57 -1.40 -0.76 116.57 121.77 1ffv h LYS 146 Ca 0.03 -0.39 -0.03 0.00 -1.87 0.00 0.00 60.65 58.39 1ffv h LYS 146 Cb 0.68 -0.05 -0.03 0.00 0.08 0.00 0.00 32.23 32.91 1ffv h LYS 146 CO 0.05 1.07 0.30 0.00 -0.57 0.00 0.00 179.45 180.30 1ffv h ALA 147 N 0.93 0.82 -0.40 3.86 0.00 -0.16 0.17 119.26 124.49 1ffv h ALA 147 Ca 0.13 -0.14 -0.12 0.00 0.00 0.00 0.00 54.91 54.78 1ffv h ALA 147 Cb 0.72 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 1ffv h ALA 147 CO 0.06 0.39 -0.22 0.28 0.00 0.00 0.00 179.25 179.76 1ffv h VAL 148 N 0.88 1.27 -0.43 0.00 2.07 -1.03 -1.48 116.25 117.53 1ffv h VAL 148 Ca 0.22 -1.33 -0.07 0.00 0.82 0.00 0.00 66.70 66.33 1ffv h VAL 148 Cb 0.13 1.19 -0.02 0.00 -1.52 0.00 0.00 31.29 31.08 1ffv h VAL 148 CO -0.03 0.45 -0.03 1.56 0.02 0.00 0.00 177.57 179.54 1ffv h GLN 149 N 0.69 0.72 -0.09 1.57 4.20 -0.75 0.45 115.11 121.91 1ffv h GLN 149 Ca 0.10 -0.20 -0.01 0.00 0.06 0.00 0.00 58.65 58.60 1ffv h GLN 149 Cb 0.73 -0.08 -0.00 0.00 0.30 0.00 0.00 27.48 28.43 1ffv h GLN 149 CO 0.06 0.76 0.02 -0.92 -0.67 0.00 0.00 178.83 178.08 1ffv h TYR 150 N 0.67 0.15 -0.70 2.96 5.03 -0.65 -2.04 116.97 122.39 1ffv h TYR 150 Ca 0.13 -0.02 -0.06 0.00 2.58 0.00 0.00 58.73 61.36 1ffv h TYR 150 Cb 0.46 -0.04 -0.03 0.00 1.55 0.00 0.00 36.73 38.67 1ffv h TYR 150 CO 0.02 0.32 0.21 0.00 -1.32 0.00 0.00 178.16 177.39 1ffv h ALA 151 N 0.81 0.92 -0.83 1.82 0.00 -1.02 -0.68 119.26 120.28 1ffv h ALA 151 Ca 0.03 -0.23 0.03 0.00 0.00 0.00 0.00 54.91 54.74 1ffv h ALA 151 Cb 0.24 -0.27 -0.05 0.00 0.00 0.00 0.00 17.79 17.72 1ffv h ALA 151 CO 0.00 0.61 0.53 0.00 0.00 0.00 0.00 179.25 180.39 1ffv h ALA 152 N 1.10 1.08 -0.38 0.00 0.00 -0.82 -0.91 119.26 119.33 1ffv h ALA 152 Ca 0.22 -0.04 -0.12 0.00 0.00 0.00 0.00 54.91 54.98 1ffv h ALA 152 Cb 0.32 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 1ffv h ALA 152 CO -0.00 0.36 -0.25 0.00 0.00 0.00 0.00 179.25 179.36 1ffv h ARG 153 N 1.04 0.84 -0.43 0.00 3.08 -1.02 -3.10 114.38 114.79 1ffv h ARG 153 Ca 0.33 -0.39 -0.08 0.00 0.07 0.00 0.00 59.98 59.90 1ffv h ARG 153 Cb -0.00 -0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.02 1ffv h ARG 153 CO -0.11 1.03 -0.06 -0.22 -1.07 0.00 0.00 179.97 179.54 1ffv h LYS 154 N 0.64 0.73 0.00 0.04 3.64 -0.53 -2.73 116.57 118.36 1ffv h LYS 154 Ca 0.08 -0.21 -0.05 0.00 -1.27 0.00 0.00 60.65 59.19 1ffv h LYS 154 Cb 0.81 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 32.55 1ffv h LYS 154 CO 0.07 0.78 -0.24 -0.07 -2.27 0.00 0.00 179.45 177.72 1ffv h LEU 155 N 0.67 0.00 -0.20 5.20 3.38 -1.18 -2.65 115.31 120.54 1ffv h LEU 155 Ca 0.12 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.09 1ffv h LEU 155 Cb 0.50 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.25 1ffv h LEU 155 CO 0.03 0.24 -0.19 0.00 0.09 0.00 0.00 178.44 178.61 1ffv n GLN 156 N -3.67 0.50 0.00 1.13 6.02 -1.04 -5.12 117.38 115.20 1ffv n GLN 156 Ca -0.01 -0.20 0.01 0.00 -0.01 0.00 0.00 57.00 56.79 1ffv n GLN 156 Cb 0.36 -1.50 0.01 0.00 1.02 0.00 0.00 30.24 30.14 1ffv n GLN 156 CO 0.00 0.00 0.00 -1.91 -1.01 0.00 0.00 177.06 174.14