#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ffv s LYS 4 N 0.00 3.54 -0.16 1.97 1.02 -0.26 -4.89 119.74 120.96 1ffv s LYS 4 Ca 0.00 -0.60 -0.26 0.00 0.02 0.00 0.00 55.97 55.13 1ffv s LYS 4 Cb 0.00 -2.79 -0.01 0.00 -0.52 0.00 0.00 37.83 34.51 1ffv s LYS 4 CO 0.00 0.22 0.89 0.42 -0.92 0.00 0.00 175.35 175.96 1ffv s ILE 5 N 0.38 4.84 0.25 2.17 1.01 -1.26 -1.32 121.20 127.27 1ffv s ILE 5 Ca -0.07 1.75 0.06 0.00 0.00 0.00 0.00 60.65 62.40 1ffv s ILE 5 Cb -0.15 -4.19 -0.05 0.00 0.01 0.00 0.00 42.46 38.08 1ffv s ILE 5 CO 0.04 -0.00 -0.07 0.27 0.00 0.00 0.00 174.94 175.18 1ffv s ILE 6 N 2.24 1.58 -0.24 2.92 -4.36 0.26 -4.97 121.20 118.63 1ffv s ILE 6 Ca 0.41 -2.13 -0.01 0.00 -0.26 0.00 0.00 60.65 58.66 1ffv s ILE 6 Cb -0.17 -2.33 0.07 0.00 1.25 0.00 0.00 42.46 41.28 1ffv s ILE 6 CO 0.13 -0.38 0.01 -0.89 0.24 0.00 0.00 174.94 174.05 1ffv s THR 7 N -3.06 1.06 -0.10 8.37 2.01 -1.26 -1.04 115.64 121.62 1ffv s THR 7 Ca 0.28 -1.05 -0.00 0.00 0.31 0.00 0.00 61.69 61.23 1ffv s THR 7 Cb 0.03 -1.52 -0.02 0.00 0.01 0.00 0.00 72.50 70.99 1ffv s THR 7 CO 0.10 -0.26 -0.09 -0.69 -0.69 0.00 0.00 174.62 172.99 1ffv s VAL 8 N 1.59 3.47 -0.62 3.82 1.01 -0.10 -0.62 120.40 128.94 1ffv s VAL 8 Ca -0.01 -0.54 -0.22 0.00 0.00 0.00 0.00 61.98 61.21 1ffv s VAL 8 Cb -0.18 -2.44 0.07 0.00 0.00 0.00 0.00 36.38 33.83 1ffv s VAL 8 CO -0.10 0.55 0.91 0.20 0.00 0.00 0.00 175.10 176.66 1ffv s ASN 9 N -0.20 6.20 -0.33 3.32 -0.87 -0.60 -0.08 114.94 122.38 1ffv s ASN 9 Ca 0.02 -0.93 -0.09 0.00 -1.57 0.00 0.00 52.86 50.29 1ffv s ASN 9 Cb -0.13 -2.40 0.01 0.00 -0.02 0.00 0.00 41.25 38.71 1ffv s ASN 9 CO 0.03 -1.34 0.14 -0.69 -2.57 0.00 0.00 177.10 172.67 1ffv s VAL 10 N 3.80 4.29 -1.38 1.60 1.01 0.14 -0.25 120.40 129.61 1ffv s VAL 10 Ca 0.22 -0.71 -0.09 0.00 0.00 0.00 0.00 61.98 61.40 1ffv s VAL 10 Cb -0.17 -3.28 0.03 0.00 0.00 0.00 0.00 36.38 32.95 1ffv s VAL 10 CO 0.11 -0.04 1.07 0.59 0.00 0.00 0.00 175.10 176.83 1ffv n ASN 11 N 4.93 -5.03 0.00 3.32 3.02 0.15 -2.37 115.26 119.28 1ffv n ASN 11 Ca -0.13 -0.64 0.00 0.00 -0.03 0.00 0.00 54.58 53.78 1ffv n ASN 11 Cb 0.47 -4.66 0.00 0.00 -0.61 0.00 0.00 39.78 34.98 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 -1.78 1.77 3.41 7.41 0.00 -1.26 -5.01 105.19 109.72 1ffv n GLY 12 Ca -0.04 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.65 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 -0.25 3.05 0.16 1.61 2.20 -1.00 -5.08 119.74 120.43 1ffv s LYS 13 Ca 0.00 -0.69 -0.30 0.00 -0.36 0.00 0.00 55.97 54.62 1ffv s LYS 13 Cb 0.00 -2.53 -0.08 0.00 -1.51 0.00 0.00 37.83 33.71 1ffv s LYS 13 CO 0.00 0.37 1.24 0.00 -0.36 0.00 0.00 175.35 176.59 1ffv s ALA 14 N -0.06 3.46 -0.27 3.13 0.00 -1.26 -0.69 121.76 126.08 1ffv s ALA 14 Ca -0.03 0.98 0.00 0.00 0.00 0.00 0.00 51.96 52.91 1ffv s ALA 14 Cb -0.14 -3.44 0.08 0.00 0.00 0.00 0.00 23.12 19.62 1ffv s ALA 14 CO 0.04 -0.43 0.02 -0.65 0.00 0.00 0.00 175.76 174.74 1ffv s GLN 15 N 0.12 1.17 -0.36 0.00 -1.52 0.88 -4.93 119.66 115.02 1ffv s GLN 15 Ca 0.56 -1.05 -0.16 0.00 -1.95 0.00 0.00 55.36 52.75 1ffv s GLN 15 Cb -0.33 -2.41 -0.00 0.00 -0.22 0.00 0.00 33.01 30.04 1ffv s GLN 15 CO 0.35 -0.77 0.42 -2.00 -0.25 0.00 0.00 175.29 173.04 1ffv s GLU 16 N 1.47 3.47 0.09 2.91 2.12 -1.26 -0.93 118.70 126.57 1ffv s GLU 16 Ca 0.02 -0.43 0.02 0.00 0.36 0.00 0.00 54.97 54.94 1ffv s GLU 16 Cb -0.18 -3.84 -0.04 0.00 0.26 0.00 0.00 34.13 30.33 1ffv s GLU 16 CO -0.13 -0.63 -0.07 0.15 -0.54 0.00 0.00 175.26 174.04 1ffv s LYS 17 N 2.14 0.77 -0.29 4.30 -0.14 -0.21 -4.96 119.74 121.35 1ffv s LYS 17 Ca 0.14 -1.19 -0.11 0.00 -1.36 0.00 0.00 55.97 53.45 1ffv s LYS 17 Cb -0.16 -0.26 -0.04 0.00 -1.68 0.00 0.00 37.83 35.69 1ffv s LYS 17 CO 0.13 0.01 0.19 0.00 -0.76 0.00 0.00 175.35 174.91 1ffv s ALA 18 N -2.99 3.48 0.13 5.17 0.00 -1.26 -0.57 121.76 125.71 1ffv s ALA 18 Ca 0.06 -1.18 0.09 0.00 0.00 0.00 0.00 51.96 50.93 1ffv s ALA 18 Cb 0.01 -2.49 -0.04 0.00 0.00 0.00 0.00 23.12 20.60 1ffv s ALA 18 CO -0.03 -0.66 -0.20 0.14 0.00 0.00 0.00 175.76 175.00 1ffv s VAL 19 N 1.73 1.80 0.06 0.00 -7.23 -0.43 -4.92 120.40 111.40 1ffv s VAL 19 Ca 0.07 -1.70 -0.24 0.00 -1.81 0.00 0.00 61.98 58.30 1ffv s VAL 19 Cb -0.16 -1.69 -0.06 0.00 0.56 0.00 0.00 36.38 35.02 1ffv s VAL 19 CO 0.10 -0.14 0.74 -1.61 -0.31 0.00 0.00 175.10 173.89 1ffv s GLU 20 N -2.24 4.48 0.32 4.82 0.41 -1.26 -1.10 118.70 124.13 1ffv s GLU 20 Ca 0.10 1.04 0.09 0.00 -0.41 0.00 0.00 54.97 55.79 1ffv s GLU 20 Cb -0.08 -3.34 0.89 0.00 -1.78 0.00 0.00 34.13 29.81 1ffv s GLU 20 CO 0.05 0.35 1.72 -1.35 -0.49 0.00 0.00 175.26 175.54 1ffv h PRO 21 N 5.43 0.52 0.00 0.39 0.11 -1.97 -1.02 132.00 135.45 1ffv h PRO 21 Ca -0.45 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.63 1ffv h PRO 21 Cb 1.21 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 32.20 1ffv h PRO 21 CO 0.70 0.34 0.00 2.89 -0.21 0.00 0.00 178.00 181.72 1ffv n ARG 22 N -4.92 0.14 -2.04 1.05 1.85 -1.26 -4.68 116.66 106.79 1ffv n ARG 22 Ca 0.27 0.14 -0.43 0.00 -1.00 0.00 0.00 57.85 56.83 1ffv n ARG 22 Cb 0.76 -1.50 -0.03 0.00 -1.05 0.00 0.00 32.46 30.64 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 -2.78 3.59 0.34 8.89 2.01 -0.39 -4.97 115.64 122.33 1ffv s THR 23 Ca 0.14 0.67 -0.29 0.00 0.31 0.00 0.00 61.69 62.52 1ffv s THR 23 Cb 0.13 -3.60 -0.10 0.00 0.01 0.00 0.00 72.50 68.94 1ffv s THR 23 CO 0.32 -0.24 1.34 -0.76 -0.69 0.00 0.00 174.62 174.59 1ffv s LEU 24 N 5.33 4.41 0.36 4.42 1.02 -1.26 -1.27 118.68 131.68 1ffv s LEU 24 Ca 0.75 2.75 0.09 0.00 0.02 0.00 0.00 54.13 57.74 1ffv s LEU 24 Cb -0.27 -3.65 0.84 0.00 0.02 0.00 0.00 46.19 43.12 1ffv s LEU 24 CO 0.30 -0.60 1.86 0.25 0.02 0.00 0.00 176.35 178.19 1ffv h LEU 25 N 3.37 0.64 -1.09 1.79 5.85 -0.65 -1.30 115.31 123.91 1ffv h LEU 25 Ca -0.49 0.04 0.03 0.00 0.84 0.00 0.00 57.88 58.31 1ffv h LEU 25 Cb 1.23 -0.08 -0.05 0.00 0.37 0.00 0.00 40.66 42.12 1ffv h LEU 25 CO 0.66 0.31 0.61 -0.29 -0.34 0.00 0.00 178.44 179.39 1ffv h ILE 26 N 0.67 1.16 0.01 4.05 6.09 -1.47 -0.83 117.51 127.20 1ffv h ILE 26 Ca 0.46 -0.40 -0.20 0.00 -1.37 0.00 0.00 64.86 63.35 1ffv h ILE 26 Cb 0.77 -0.12 -0.02 0.00 0.47 0.00 0.00 36.82 37.93 1ffv h ILE 26 CO -0.21 0.21 -0.90 0.45 -3.07 0.00 0.00 178.15 174.63 1ffv h HIS 27 N 1.18 0.21 -0.28 2.19 3.86 -1.57 -1.84 115.15 118.89 1ffv h HIS 27 Ca 0.37 -0.12 -0.02 0.00 -1.16 0.00 0.00 60.37 59.44 1ffv h HIS 27 Cb 0.01 -0.02 -0.01 0.00 1.06 0.00 0.00 27.41 28.44 1ffv h HIS 27 CO -0.00 0.96 0.11 0.35 0.86 0.00 0.00 177.93 180.21 1ffv h PHE 28 N 0.07 0.43 -0.14 2.45 3.57 -0.80 0.40 116.94 122.92 1ffv h PHE 28 Ca -0.04 -0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.41 1ffv h PHE 28 Cb 1.55 -0.13 -0.01 0.00 2.79 0.00 0.00 35.95 40.16 1ffv h PHE 28 CO 0.02 0.43 0.00 -0.07 -2.23 0.00 0.00 178.31 176.46 1ffv h LEU 29 N 0.31 0.24 -0.14 0.59 3.38 -1.17 -1.37 115.31 117.16 1ffv h LEU 29 Ca 0.09 -0.31 -0.14 0.00 0.09 0.00 0.00 57.88 57.62 1ffv h LEU 29 Cb 0.18 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 40.87 1ffv h LEU 29 CO -0.01 0.49 -0.45 0.03 0.09 0.00 0.00 178.44 178.60 1ffv h ARG 30 N -0.01 0.55 0.12 1.13 3.08 -1.29 0.11 114.38 118.07 1ffv h ARG 30 Ca 0.04 -0.41 -0.33 0.00 0.07 0.00 0.00 59.98 59.35 1ffv h ARG 30 Cb 0.37 0.07 -0.01 0.00 0.08 0.00 0.00 29.97 30.47 1ffv h ARG 30 CO 0.01 1.03 -1.75 0.93 -1.07 0.00 0.00 179.97 179.11 1ffv h GLU 31 N 0.18 0.25 0.11 0.04 4.39 -0.28 -3.04 114.58 116.23 1ffv h GLU 31 Ca -0.02 -0.43 -0.23 0.00 0.34 0.00 0.00 59.36 59.02 1ffv h GLU 31 Cb 1.07 0.16 0.00 0.00 -0.10 0.00 0.00 28.75 29.88 1ffv h GLU 31 CO 0.10 1.21 -1.15 1.49 -1.16 0.00 0.00 179.01 179.49 1ffv h GLU 32 N -0.13 0.23 -0.01 2.33 4.57 -1.30 -3.38 114.58 116.90 1ffv h GLU 32 Ca -0.38 -0.40 0.00 0.00 -1.18 0.00 0.00 59.36 57.40 1ffv h GLU 32 Cb 1.90 0.15 0.00 0.00 -0.16 0.00 0.00 28.75 30.64 1ffv h GLU 32 CO 0.06 1.19 -0.66 1.28 -1.18 0.00 0.00 179.01 179.71 1ffv n LEU 33 N -4.05 1.27 -2.63 1.64 4.77 -1.00 -4.97 117.00 112.03 1ffv n LEU 33 Ca -0.21 -0.48 -0.21 0.00 -0.03 0.00 0.00 56.01 55.08 1ffv n LEU 33 Cb 0.84 -0.05 0.02 0.00 -2.33 0.00 0.00 43.42 41.90 1ffv n LEU 33 CO 0.42 0.27 -0.11 0.59 -1.33 0.00 0.00 177.39 177.23 1ffv n ASN 34 N -0.90 -5.85 -4.27 -1.43 5.03 -0.86 -4.91 115.26 102.08 1ffv n ASN 34 Ca 0.07 -0.17 -0.44 0.00 0.87 0.00 0.00 54.58 54.91 1ffv n ASN 34 Cb 0.38 -4.75 0.00 0.00 -1.02 0.00 0.00 39.78 34.39 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 -3.44 5.71 -0.21 3.41 4.77 0.32 -4.84 117.00 122.71 1ffv n LEU 35 Ca -0.16 -4.87 0.01 0.00 -0.03 0.00 0.00 56.01 50.95 1ffv n LEU 35 Cb 0.64 -1.48 0.02 0.00 -2.33 0.00 0.00 43.42 40.27 1ffv n LEU 35 CO 0.38 1.24 0.46 0.35 -1.33 0.00 0.00 177.39 178.49 1ffv n THR 36 N 3.03 0.09 -0.05 -5.08 -2.24 -1.26 -3.84 114.28 104.93 1ffv n THR 36 Ca 0.29 -0.07 -0.13 0.00 -2.27 0.00 0.00 64.05 61.88 1ffv n THR 36 Cb 0.39 -0.10 -0.07 0.00 -2.10 0.00 0.00 70.33 68.45 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 5.66 0.29 -4.12 3.38 0.00 -1.96 -3.42 103.07 102.89 1ffv h GLY 37 Ca 0.00 -0.27 -0.53 0.00 0.00 0.00 0.00 47.33 46.53 1ffv h GLY 37 CO 0.01 0.24 0.76 0.00 0.00 0.00 0.00 176.54 177.55 1ffv s ALA 38 N -4.47 3.61 0.44 3.60 0.00 -1.25 -4.64 121.76 119.05 1ffv s ALA 38 Ca -0.14 1.39 0.05 0.00 0.00 0.00 0.00 51.96 53.26 1ffv s ALA 38 Cb 0.05 -3.56 -0.06 0.00 0.00 0.00 0.00 23.12 19.55 1ffv s ALA 38 CO 0.73 -0.81 0.01 -1.01 0.00 0.00 0.00 175.76 174.68 1ffv s HIS 39 N -0.44 2.25 -0.11 0.00 3.76 -0.35 -4.94 115.29 115.47 1ffv s HIS 39 Ca 0.57 -0.80 0.03 0.00 -0.15 0.00 0.00 55.06 54.71 1ffv s HIS 39 Cb -0.43 -1.68 0.01 0.00 1.11 0.00 0.00 32.58 31.58 1ffv s HIS 39 CO 0.49 0.33 -0.20 0.42 -0.85 0.00 0.00 174.74 174.94 1ffv s ILE 40 N -2.81 1.82 0.00 0.60 1.01 -1.26 -2.30 121.20 118.26 1ffv s ILE 40 Ca 0.25 -0.86 0.00 0.00 0.00 0.00 0.00 60.65 60.04 1ffv s ILE 40 Cb 0.07 -1.60 0.00 0.00 0.01 0.00 0.00 42.46 40.94 1ffv s ILE 40 CO 0.13 0.51 0.18 0.61 0.00 0.00 0.00 174.94 176.36 1ffv n GLY 41 N 3.82 0.09 3.72 6.18 0.00 -1.26 -5.06 105.19 112.68 1ffv n GLY 41 Ca -0.20 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.78 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 -0.44 0.65 -0.07 0.00 0.00 -1.26 -4.65 120.64 114.88 1ffv n GLU 43 Ca -0.06 -0.99 0.09 0.00 0.00 0.00 0.00 57.16 56.20 1ffv n GLU 43 Cb 0.61 -1.04 0.12 0.00 0.00 0.00 0.00 31.44 31.12 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 -0.04 0.23 -1.46 3.84 -2.24 -1.26 -5.00 114.28 108.36 1ffv n THR 44 Ca 0.02 -0.61 -0.04 0.00 -2.27 0.00 0.00 64.05 61.14 1ffv n THR 44 Cb 0.14 1.18 -0.01 0.00 -2.10 0.00 0.00 70.33 69.53 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 1.06 -3.00 -0.10 3.42 7.64 -1.26 -4.98 113.62 116.40 1ffv n SER 45 Ca 0.13 0.07 -0.24 0.00 1.01 0.00 0.00 58.87 59.84 1ffv n SER 45 Cb 0.47 -1.41 -0.12 0.00 -1.01 0.00 0.00 64.21 62.15 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 -3.27 0.64 -0.30 1.43 8.25 -1.26 -4.70 115.22 116.01 1ffv n HIS 46 Ca -0.05 0.22 -0.03 0.00 -0.26 0.00 0.00 57.72 57.61 1ffv n HIS 46 Cb 0.28 -1.07 0.09 0.00 1.12 0.00 0.00 29.99 30.41 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 -1.32 0.51 0.00 0.00 0.00 -1.21 -0.40 105.19 102.76 1ffv n GLY 48 Ca 0.09 -0.39 0.09 0.00 0.00 0.00 0.00 46.02 45.81 1ffv n GLY 48 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ffv n ALA 49 N 1.02 1.94 0.55 4.61 0.00 -1.26 -2.32 120.51 125.05 1ffv n ALA 49 Ca -0.01 -0.08 0.10 0.00 0.00 0.00 0.00 53.44 53.45 1ffv n ALA 49 Cb 0.09 -1.31 0.14 0.00 0.00 0.00 0.00 19.45 18.36 1ffv n ALA 49 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1ffv n THR 51 N 1.20 0.08 -4.19 0.00 -1.04 -0.98 -2.61 114.28 106.74 1ffv n THR 51 Ca 0.14 -0.01 -0.11 0.00 -2.04 0.00 0.00 64.05 62.02 1ffv n THR 51 Cb 0.53 -1.57 -0.10 0.00 -1.82 0.00 0.00 70.33 67.36 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 1.32 0.43 -0.25 12.58 -7.23 -0.49 -4.54 120.40 122.23 1ffv s VAL 52 Ca 0.81 -1.94 -0.14 0.00 -1.81 0.00 0.00 61.98 58.89 1ffv s VAL 52 Cb -0.68 -2.03 -0.04 0.00 0.56 0.00 0.00 36.38 34.19 1ffv s VAL 52 CO 0.40 -0.53 0.34 -0.62 -0.31 0.00 0.00 175.10 174.38 1ffv s ASP 53 N -3.10 6.27 -0.15 4.85 2.15 -0.77 -1.17 116.67 124.74 1ffv s ASP 53 Ca 0.22 0.31 0.00 0.00 0.43 0.00 0.00 52.55 53.51 1ffv s ASP 53 Cb 0.07 -2.20 0.03 0.00 -0.30 0.00 0.00 42.92 40.52 1ffv s ASP 53 CO 0.02 -0.11 -0.12 -0.63 -0.17 0.00 0.00 175.17 174.15 1ffv s ILE 54 N 1.72 1.47 -1.38 4.11 1.01 0.86 -0.63 121.20 128.36 1ffv s ILE 54 Ca 0.15 -0.64 -0.01 0.00 0.00 0.00 0.00 60.65 60.14 1ffv s ILE 54 Cb -0.15 -1.44 -0.00 0.00 0.01 0.00 0.00 42.46 40.88 1ffv s ILE 54 CO 0.09 0.38 0.47 0.47 0.00 0.00 0.00 174.94 176.34 1ffv n ASP 55 N 4.79 -0.64 0.00 3.58 8.00 -0.12 -1.74 116.55 130.42 1ffv n ASP 55 Ca -0.16 -0.98 0.00 0.00 0.71 0.00 0.00 54.79 54.36 1ffv n ASP 55 Cb 0.49 -3.20 0.00 0.00 -0.02 0.00 0.00 41.12 38.39 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 -1.92 0.75 3.10 0.44 0.00 -1.26 -5.03 105.19 101.27 1ffv n GLY 56 Ca -0.30 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.57 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 -0.06 0.64 0.04 1.61 0.52 -0.71 -5.08 118.95 115.91 1ffv s ARG 57 Ca 0.00 -0.82 -0.30 0.00 -0.52 0.00 0.00 55.73 54.09 1ffv s ARG 57 Cb 0.00 -0.51 -0.05 0.00 0.52 0.00 0.00 34.95 34.91 1ffv s ARG 57 CO 0.00 0.10 1.15 -1.12 0.02 0.00 0.00 175.30 175.45 1ffv s SER 58 N -1.59 7.15 -0.01 0.23 0.01 -1.26 -0.10 113.70 118.13 1ffv s SER 58 Ca -0.06 1.93 -0.01 0.00 1.31 0.00 0.00 55.95 59.11 1ffv s SER 58 Cb -0.10 -2.58 0.00 0.00 0.21 0.00 0.00 66.02 63.56 1ffv s SER 58 CO 0.01 -0.42 0.02 -0.69 0.41 0.00 0.00 173.24 172.57 1ffv s VAL 59 N 1.07 0.00 -0.70 3.43 1.01 -0.32 -4.93 120.40 119.96 1ffv s VAL 59 Ca 0.57 -0.03 -0.26 0.00 0.00 0.00 0.00 61.98 62.25 1ffv s VAL 59 Cb -0.27 -0.05 0.04 0.00 0.00 0.00 0.00 36.38 36.09 1ffv s VAL 59 CO 0.29 -0.02 1.22 -0.54 0.00 0.00 0.00 175.10 176.04 1ffv s LYS 60 N -0.04 3.23 0.07 2.72 1.02 -1.26 -1.39 119.74 124.09 1ffv s LYS 60 Ca -0.01 -0.25 0.04 0.00 0.02 0.00 0.00 55.97 55.77 1ffv s LYS 60 Cb -0.01 -4.16 0.19 0.00 -0.52 0.00 0.00 37.83 33.34 1ffv s LYS 60 CO 0.00 -2.02 0.99 -1.13 -0.92 0.00 0.00 175.35 172.27 1ffv n SER 61 N 8.97 0.09 -0.05 2.83 3.41 -1.07 -1.06 113.62 126.74 1ffv n SER 61 Ca 0.03 0.42 0.13 0.00 -0.26 0.00 0.00 58.87 59.19 1ffv n SER 61 Cb 0.48 -0.42 0.51 0.00 -0.26 0.00 0.00 64.21 64.52 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 -1.28 2.09 -3.77 0.00 -1.04 -0.23 -4.90 114.28 105.15 1ffv n THR 63 Ca 0.09 -3.57 -0.13 0.00 -2.04 0.00 0.00 64.05 58.40 1ffv n THR 63 Cb 0.31 -0.40 -0.11 0.00 -1.82 0.00 0.00 70.33 68.31 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 -3.31 -0.32 0.11 -1.42 5.04 -1.24 -4.98 115.29 109.17 1ffv s HIS 64 Ca 0.43 0.76 -0.09 0.00 -1.54 0.00 0.00 55.06 54.61 1ffv s HIS 64 Cb 0.39 0.11 -0.06 0.00 0.04 0.00 0.00 32.58 33.06 1ffv s HIS 64 CO -0.01 -0.20 0.42 -0.51 -2.34 0.00 0.00 174.74 172.10 1ffv s LEU 65 N -0.06 4.32 0.28 8.88 1.43 -1.26 -0.69 118.68 131.57 1ffv s LEU 65 Ca -0.02 0.79 -0.03 0.00 -1.03 0.00 0.00 54.13 53.84 1ffv s LEU 65 Cb -0.03 -3.13 0.39 0.00 0.03 0.00 0.00 46.19 43.45 1ffv s LEU 65 CO 0.01 0.12 1.94 0.00 0.23 0.00 0.00 176.35 178.65 1ffv h ALA 66 N 3.44 1.35 0.00 4.21 0.00 -1.43 -2.15 119.26 124.68 1ffv h ALA 66 Ca -0.48 -0.08 -0.00 0.00 0.00 0.00 0.00 54.91 54.34 1ffv h ALA 66 Cb 1.19 -0.34 -0.00 0.00 0.00 0.00 0.00 17.79 18.64 1ffv h ALA 66 CO 0.68 0.58 -0.02 -0.24 0.00 0.00 0.00 179.25 180.25 1ffv h VAL 67 N 1.14 0.83 0.00 0.00 3.04 -1.83 -0.79 116.25 118.65 1ffv h VAL 67 Ca 0.30 -0.06 0.00 0.00 -1.01 0.00 0.00 66.70 65.93 1ffv h VAL 67 Cb -0.08 1.03 0.00 0.00 -2.01 0.00 0.00 31.29 30.24 1ffv h VAL 67 CO -0.06 0.02 0.00 0.00 -1.01 0.00 0.00 177.57 176.52 1ffv n GLN 68 N -4.26 0.16 -0.15 4.17 6.02 -0.81 -3.08 117.38 119.42 1ffv n GLN 68 Ca -0.03 0.34 0.04 0.00 -0.01 0.00 0.00 57.00 57.35 1ffv n GLN 68 Cb 0.10 -1.77 0.12 0.00 1.02 0.00 0.00 30.24 29.71 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 -0.96 6.12 0.00 0.00 2.15 -1.18 -0.71 116.67 122.09 1ffv s ASP 70 Ca 0.19 2.33 0.00 0.00 0.43 0.00 0.00 52.55 55.49 1ffv s ASP 70 Cb 0.10 -2.52 0.00 0.00 -0.30 0.00 0.00 42.92 40.20 1ffv s ASP 70 CO 0.12 -1.37 0.00 0.61 -0.17 0.00 0.00 175.17 174.36 1ffv n GLY 71 N 4.94 0.75 3.92 2.66 0.00 0.21 -4.94 105.19 112.74 1ffv n GLY 71 Ca 0.23 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.99 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 -2.52 5.51 -0.32 1.61 0.01 0.12 -4.92 113.70 113.19 1ffv s SER 72 Ca 0.00 0.61 -0.03 0.00 1.31 0.00 0.00 55.95 57.84 1ffv s SER 72 Cb 0.00 -1.58 0.05 0.00 0.21 0.00 0.00 66.02 64.70 1ffv s SER 72 CO 0.00 -1.10 0.04 -0.70 0.41 0.00 0.00 173.24 171.90 1ffv s GLU 73 N -4.97 2.43 -0.10 12.44 2.56 -1.26 -1.56 118.70 128.23 1ffv s GLU 73 Ca 0.54 -1.30 0.00 0.00 0.00 0.00 0.00 54.97 54.21 1ffv s GLU 73 Cb -0.10 -3.28 -0.02 0.00 2.00 0.00 0.00 34.13 32.72 1ffv s GLU 73 CO 0.44 -0.67 -0.11 0.08 -0.56 0.00 0.00 175.26 174.44 1ffv s VAL 74 N 1.27 3.31 -0.11 3.70 1.01 0.65 -0.94 120.40 129.29 1ffv s VAL 74 Ca -0.03 -0.60 0.02 0.00 0.00 0.00 0.00 61.98 61.38 1ffv s VAL 74 Cb -0.20 -2.37 0.01 0.00 0.00 0.00 0.00 36.38 33.82 1ffv s VAL 74 CO -0.01 0.55 -0.18 -0.22 0.00 0.00 0.00 175.10 175.24 1ffv s LEU 75 N -0.12 1.89 0.39 3.92 0.20 0.19 -0.67 118.68 124.49 1ffv s LEU 75 Ca -0.00 -0.49 0.08 0.00 0.69 0.00 0.00 54.13 54.40 1ffv s LEU 75 Cb -0.13 -1.23 -0.05 0.00 -0.43 0.00 0.00 46.19 44.35 1ffv s LEU 75 CO 0.03 0.06 0.13 0.42 -0.29 0.00 0.00 176.35 176.70 1ffv s THR 76 N 0.80 2.42 0.51 3.68 -4.23 -1.26 -1.84 115.64 115.71 1ffv s THR 76 Ca -0.09 -1.77 0.25 0.00 -1.18 0.00 0.00 61.69 58.90 1ffv s THR 76 Cb -0.16 -2.96 0.41 0.00 1.34 0.00 0.00 72.50 71.14 1ffv s THR 76 CO 0.01 -0.06 1.94 1.62 -0.54 0.00 0.00 174.62 177.59 1ffv h VAL 77 N 1.54 0.69 0.00 2.29 3.04 -1.91 0.11 116.25 122.01 1ffv h VAL 77 Ca -0.43 -0.03 -0.00 0.00 -1.01 0.00 0.00 66.70 65.23 1ffv h VAL 77 Cb 1.25 0.58 -0.00 0.00 -2.01 0.00 0.00 31.29 31.12 1ffv h VAL 77 CO 0.69 0.02 -0.01 -0.33 -1.01 0.00 0.00 177.57 176.94 1ffv h GLU 78 N 0.10 0.00 -0.04 4.17 3.07 -1.98 -2.33 114.58 117.57 1ffv h GLU 78 Ca 0.34 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.20 1ffv h GLU 78 Cb 1.20 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.11 1ffv h GLU 78 CO -0.03 0.01 0.00 0.41 -1.40 0.00 0.00 179.01 177.99 1ffv n GLY 79 N -0.59 0.79 0.06 -3.84 0.00 0.39 -4.52 105.19 97.49 1ffv n GLY 79 Ca -0.01 -0.64 -0.13 0.00 0.00 0.00 0.00 46.02 45.24 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 4.17 -0.03 -9.85 0.99 3.38 -1.44 -3.44 115.31 109.08 1ffv h LEU 80 Ca 0.00 -0.35 -0.53 0.00 0.09 0.00 0.00 57.88 57.08 1ffv h LEU 80 Cb 0.89 0.01 0.08 0.00 0.09 0.00 0.00 40.66 41.73 1ffv h LEU 80 CO 0.00 0.34 0.79 0.00 0.09 0.00 0.00 178.44 179.66 1ffv s ALA 81 N -4.72 3.63 -0.33 1.53 0.00 -1.26 -4.44 121.76 116.18 1ffv s ALA 81 Ca -0.15 1.48 -0.06 0.00 0.00 0.00 0.00 51.96 53.24 1ffv s ALA 81 Cb 0.03 -3.59 0.04 0.00 0.00 0.00 0.00 23.12 19.59 1ffv s ALA 81 CO 0.66 -0.92 0.09 1.21 0.00 0.00 0.00 175.76 176.80 1ffv s ASN 82 N 0.12 5.24 -1.78 0.00 2.47 -0.49 -4.54 114.94 115.97 1ffv s ASN 82 Ca 0.57 -1.13 -0.00 0.00 0.42 0.00 0.00 52.86 52.71 1ffv s ASN 82 Cb -0.45 -1.85 0.00 0.00 -1.45 0.00 0.00 41.25 37.50 1ffv s ASN 82 CO 0.53 -0.31 0.02 1.17 -3.72 0.00 0.00 177.10 174.79 1ffv n LYS 83 N 4.79 -1.78 -0.01 0.43 4.81 -1.26 -1.34 118.16 123.81 1ffv n LYS 83 Ca -0.13 1.01 0.00 0.00 -0.87 0.00 0.00 58.31 58.32 1ffv n LYS 83 Cb 0.45 -5.67 0.00 0.00 0.02 0.00 0.00 35.03 29.82 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 -1.04 1.61 3.63 3.14 0.00 -1.26 -5.02 105.19 106.25 1ffv n GLY 84 Ca -0.24 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.37 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 -2.55 4.95 0.55 1.61 1.01 -0.45 -5.03 120.40 120.50 1ffv s VAL 85 Ca 0.00 1.24 -0.21 0.00 0.00 0.00 0.00 61.98 63.02 1ffv s VAL 85 Cb 0.00 -3.98 -0.06 0.00 0.00 0.00 0.00 36.38 32.34 1ffv s VAL 85 CO 0.00 0.01 1.07 0.18 0.00 0.00 0.00 175.10 176.36 1ffv n LEU 86 N 5.71 3.91 -4.84 3.92 4.77 -1.26 -1.39 117.00 127.82 1ffv n LEU 86 Ca 0.01 0.90 -0.32 0.00 -0.03 0.00 0.00 56.01 56.56 1ffv n LEU 86 Cb 0.49 -1.43 -0.03 0.00 -2.33 0.00 0.00 43.42 40.12 1ffv n LEU 86 CO 0.44 -1.46 0.68 -2.28 -1.33 0.00 0.00 177.39 173.44 1ffv s HIS 87 N -1.41 3.38 0.35 -1.77 5.65 -1.26 -4.82 115.29 115.42 1ffv s HIS 87 Ca 0.72 1.49 0.14 0.00 0.25 0.00 0.00 55.06 57.66 1ffv s HIS 87 Cb -0.45 -2.82 1.01 0.00 -1.18 0.00 0.00 32.58 29.14 1ffv s HIS 87 CO 0.50 -0.43 1.72 0.00 -0.65 0.00 0.00 174.74 175.87 1ffv h ALA 88 N 0.97 1.98 -0.13 1.58 0.00 -1.93 0.93 119.26 122.66 1ffv h ALA 88 Ca -0.47 0.13 -0.12 0.00 0.00 0.00 0.00 54.91 54.44 1ffv h ALA 88 Cb 1.19 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 19.03 1ffv h ALA 88 CO 0.61 -0.49 -0.45 -0.39 0.00 0.00 0.00 179.25 178.53 1ffv h VAL 89 N 0.45 1.32 -0.33 0.00 -1.51 -1.92 0.99 116.25 115.25 1ffv h VAL 89 Ca 0.67 -1.64 -0.17 0.00 -1.23 0.00 0.00 66.70 64.33 1ffv h VAL 89 Cb 1.48 1.72 -0.00 0.00 -2.13 0.00 0.00 31.29 32.36 1ffv h VAL 89 CO -0.46 0.49 -0.46 1.56 -1.23 0.00 0.00 177.57 177.47 1ffv h GLN 90 N 0.26 0.90 -0.45 5.19 4.20 -1.24 -2.27 115.11 121.71 1ffv h GLN 90 Ca 0.02 -0.52 -0.08 0.00 0.06 0.00 0.00 58.65 58.12 1ffv h GLN 90 Cb 0.91 0.04 -0.02 0.00 0.30 0.00 0.00 27.48 28.71 1ffv h GLN 90 CO 0.07 1.17 -0.05 1.49 -0.67 0.00 0.00 178.83 180.84 1ffv h GLU 91 N 0.70 0.82 -0.49 1.46 4.81 -0.97 -2.31 114.58 118.60 1ffv h GLU 91 Ca 0.04 -0.29 -0.01 0.00 -0.13 0.00 0.00 59.36 58.97 1ffv h GLU 91 Cb 1.06 -0.06 -0.02 0.00 0.63 0.00 0.00 28.75 30.35 1ffv h GLU 91 CO 0.11 0.90 0.27 0.78 -0.73 0.00 0.00 179.01 180.34 1ffv h GLY 92 N 0.66 0.74 1.34 1.92 0.00 -0.74 0.15 103.07 107.13 1ffv h GLY 92 Ca 0.12 -0.34 -0.06 0.00 0.00 0.00 0.00 47.33 47.05 1ffv h GLY 92 CO 0.03 0.32 0.07 0.74 0.00 0.00 0.00 176.54 177.70 1ffv h PHE 93 N 0.66 0.86 0.12 5.60 -1.00 -1.35 -0.71 116.94 121.12 1ffv h PHE 93 Ca 0.17 -0.10 -0.01 0.00 2.81 0.00 0.00 57.97 60.85 1ffv h PHE 93 Cb 0.05 -0.24 0.00 0.00 3.61 0.00 0.00 35.95 39.37 1ffv h PHE 93 CO -0.02 0.75 -0.06 -0.92 -1.61 0.00 0.00 178.31 176.46 1ffv h TYR 94 N 0.78 -0.15 -0.81 -0.55 3.20 -1.13 0.24 116.97 118.54 1ffv h TYR 94 Ca 0.16 -0.00 -0.01 0.00 3.14 0.00 0.00 58.73 62.02 1ffv h TYR 94 Cb 0.37 0.05 -0.04 0.00 1.54 0.00 0.00 36.73 38.65 1ffv h TYR 94 CO 0.02 0.28 0.47 0.87 -1.64 0.00 0.00 178.16 178.16 1ffv h LYS 95 N -0.66 1.11 -0.63 1.82 1.79 -0.92 -2.98 116.57 116.11 1ffv h LYS 95 Ca -0.02 -0.11 0.00 0.00 -2.18 0.00 0.00 60.65 58.34 1ffv h LYS 95 Cb 0.50 -0.23 0.00 0.00 -1.58 0.00 0.00 32.23 30.92 1ffv h LYS 95 CO 0.03 0.80 0.00 0.39 -1.08 0.00 0.00 179.45 179.58 1ffv n GLU 96 N -4.36 3.13 -3.71 3.15 -0.58 -0.28 -4.95 120.64 113.04 1ffv n GLU 96 Ca 0.09 -2.37 -0.28 0.00 -0.42 0.00 0.00 57.16 54.18 1ffv n GLU 96 Cb 0.08 -1.73 0.03 0.00 -0.57 0.00 0.00 31.44 29.25 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 1.00 -1.89 0.17 -0.32 -0.00 -0.99 -4.78 115.22 108.41 1ffv n HIS 97 Ca 0.22 0.60 0.05 0.00 -0.00 0.00 0.00 57.72 58.59 1ffv n HIS 97 Cb 0.72 -3.70 0.22 0.00 -0.00 0.00 0.00 29.99 27.23 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 -1.69 1.84 3.35 1.57 0.00 0.80 -4.77 105.19 106.29 1ffv n GLY 98 Ca -0.17 -0.52 -0.15 0.00 0.00 0.00 0.00 46.02 45.19 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 -1.37 0.22 0.00 0.99 2.34 -1.26 -4.72 118.68 114.88 1ffv s LEU 99 Ca 0.31 0.28 0.00 0.00 0.06 0.00 0.00 54.13 54.78 1ffv s LEU 99 Cb 0.21 1.82 0.00 0.00 -0.56 0.00 0.00 46.19 47.66 1ffv s LEU 99 CO 0.14 -0.56 0.00 0.00 -1.06 0.00 0.00 176.35 174.87 1ffv n GLN 100 N 0.96 0.00 0.22 1.48 6.02 -1.26 -4.85 117.38 119.95 1ffv n GLN 100 Ca -0.20 0.00 0.14 0.00 -0.01 0.00 0.00 57.00 56.93 1ffv n GLN 100 Cb 0.57 0.00 0.45 0.00 1.02 0.00 0.00 30.24 32.28 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 0.56 0.49 0.22 0.00 0.00 -1.26 -4.93 105.19 100.26 1ffv n GLY 102 Ca 0.03 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.96 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 0.69 -0.01 1.61 3.57 -1.98 -3.16 116.94 117.66 1ffv h PHE 103 Ca 0.00 -0.22 0.00 0.00 3.53 0.00 0.00 57.97 61.28 1ffv h PHE 103 Cb 0.18 -0.14 0.00 0.00 2.79 0.00 0.00 35.95 38.78 1ffv h PHE 103 CO 0.11 0.94 -0.52 0.00 -2.23 0.00 0.00 178.31 176.61 1ffv h THR 105 N 0.81 0.72 -0.93 0.00 2.02 -1.93 -0.64 112.91 112.97 1ffv h THR 105 Ca 0.00 0.00 0.07 0.00 0.77 0.00 0.00 66.41 67.25 1ffv h THR 105 Cb 0.55 0.72 -0.07 0.00 -1.74 0.00 0.00 68.15 67.61 1ffv h THR 105 CO 0.00 0.00 0.59 -0.65 0.37 0.00 0.00 175.52 175.83 1ffv h PRO 106 N -0.14 1.01 -0.38 6.66 0.11 -1.80 0.17 132.00 137.63 1ffv h PRO 106 Ca 0.06 -0.06 -0.14 0.00 0.11 0.00 0.00 66.00 65.97 1ffv h PRO 106 Cb 0.23 -0.23 -0.01 0.00 0.11 0.00 0.00 31.00 31.10 1ffv h PRO 106 CO -0.15 0.67 -0.33 0.78 -0.21 0.00 0.00 178.00 178.76 1ffv h GLY 107 N 1.04 0.94 0.98 -0.55 0.00 -1.67 -1.24 103.07 102.58 1ffv h GLY 107 Ca 0.41 -0.91 -0.05 0.00 0.00 0.00 0.00 47.33 46.78 1ffv h GLY 107 CO -0.19 0.82 0.12 -0.33 0.00 0.00 0.00 176.54 176.96 1ffv h MET 108 N 0.73 0.81 -0.44 4.80 2.86 -0.41 -1.57 114.93 121.70 1ffv h MET 108 Ca 0.07 -0.20 -0.06 0.00 -2.06 0.00 0.00 59.70 57.45 1ffv h MET 108 Cb 0.89 -0.10 -0.02 0.00 0.06 0.00 0.00 31.60 32.43 1ffv h MET 108 CO 0.08 0.78 0.03 -0.07 1.06 0.00 0.00 176.91 178.79 1ffv h LEU 109 N 0.69 0.74 -1.01 1.22 3.38 -0.53 -0.00 115.31 119.79 1ffv h LEU 109 Ca 0.16 -0.29 -0.07 0.00 0.09 0.00 0.00 57.88 57.77 1ffv h LEU 109 Cb 0.34 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.87 1ffv h LEU 109 CO 0.00 0.84 -0.01 0.24 0.09 0.00 0.00 178.44 179.61 1ffv h MET 110 N 0.61 0.70 0.25 1.13 2.86 -1.14 -0.15 114.93 119.19 1ffv h MET 110 Ca 0.13 -0.18 -0.01 0.00 -2.06 0.00 0.00 59.70 57.58 1ffv h MET 110 Cb 0.45 -0.09 0.00 0.00 0.06 0.00 0.00 31.60 32.02 1ffv h MET 110 CO 0.02 0.72 -0.12 -0.09 1.06 0.00 0.00 176.91 178.50 1ffv h ARG 111 N 0.66 -0.32 -0.82 1.72 9.65 -1.08 -3.10 114.38 121.08 1ffv h ARG 111 Ca 0.13 0.02 0.13 0.00 -1.10 0.00 0.00 59.98 59.16 1ffv h ARG 111 Cb 0.42 0.07 -0.06 0.00 -1.39 0.00 0.00 29.97 29.01 1ffv h ARG 111 CO 0.02 0.03 0.54 0.00 2.80 0.00 0.00 179.97 183.35 1ffv h ALA 112 N -0.18 1.89 -0.85 2.80 0.00 -0.89 0.12 119.26 122.15 1ffv h ALA 112 Ca -0.03 0.00 0.03 0.00 0.00 0.00 0.00 54.91 54.91 1ffv h ALA 112 Cb 0.50 -0.12 -0.05 0.00 0.00 0.00 0.00 17.79 18.12 1ffv h ALA 112 CO 0.06 -0.10 0.55 -0.92 0.00 0.00 0.00 179.25 178.84 1ffv h TYR 113 N 0.62 1.03 0.19 0.00 3.20 -1.01 -1.62 116.97 119.38 1ffv h TYR 113 Ca 0.40 0.03 -0.34 0.00 3.14 0.00 0.00 58.73 61.96 1ffv h TYR 113 Cb 0.67 -0.34 0.02 0.00 1.54 0.00 0.00 36.73 38.62 1ffv h TYR 113 CO -0.00 0.60 -1.64 -0.09 -1.64 0.00 0.00 178.16 175.39 1ffv h ARG 114 N 1.07 0.41 -0.98 1.82 9.65 -1.08 -3.34 114.38 121.93 1ffv h ARG 114 Ca 0.34 -0.70 0.07 0.00 -1.10 0.00 0.00 59.98 58.58 1ffv h ARG 114 Cb -0.00 0.26 -0.07 0.00 -1.39 0.00 0.00 29.97 28.77 1ffv h ARG 114 CO -0.11 1.34 0.63 0.35 2.80 0.00 0.00 179.97 184.97 1ffv h PHE 115 N 0.06 1.16 0.00 2.20 3.57 -0.76 0.00 116.94 123.18 1ffv h PHE 115 Ca -0.32 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.21 1ffv h PHE 115 Cb 2.07 -0.38 0.00 0.00 2.79 0.00 0.00 35.95 40.43 1ffv h PHE 115 CO 0.11 0.59 0.00 -0.07 -2.23 0.00 0.00 178.31 176.71 1ffv h LEU 116 N 1.13 0.00 0.00 0.59 4.07 -1.44 0.17 115.31 119.83 1ffv h LEU 116 Ca 0.43 0.00 -0.29 0.00 0.08 0.00 0.00 57.88 58.10 1ffv h LEU 116 Cb 0.20 0.00 -0.05 0.00 1.08 0.00 0.00 40.66 41.89 1ffv h LEU 116 CO -0.18 0.00 -1.78 0.00 -1.08 0.00 0.00 178.44 175.40 1ffv n GLN 117 N -2.36 0.64 0.05 1.13 6.02 -0.13 -3.04 117.38 119.68 1ffv n GLN 117 Ca 0.01 0.25 -0.10 0.00 -0.01 0.00 0.00 57.00 57.14 1ffv n GLN 117 Cb 0.20 -1.76 0.02 0.00 1.02 0.00 0.00 30.24 29.72 1ffv n GLN 117 CO 0.00 0.00 0.00 0.93 -1.01 0.00 0.00 177.06 176.98 1ffv h GLU 118 N 0.00 0.41 -1.90 -1.09 5.08 -0.32 -3.41 114.58 113.35 1ffv h GLU 118 Ca -0.31 -0.35 -0.26 0.00 -1.00 0.00 0.00 59.36 57.44 1ffv h GLU 118 Cb 2.00 0.08 -0.30 0.00 0.50 0.00 0.00 28.75 31.02 1ffv h GLU 118 CO 0.07 0.99 -0.59 1.21 -1.00 0.00 0.00 179.01 179.69 1ffv s ASN 119 N -6.99 0.96 0.40 1.42 3.84 0.52 -5.04 114.94 110.06 1ffv s ASN 119 Ca -0.06 -0.68 0.22 0.00 0.21 0.00 0.00 52.86 52.55 1ffv s ASN 119 Cb 0.10 0.82 0.71 0.00 -0.55 0.00 0.00 41.25 42.33 1ffv s ASN 119 CO 0.84 -0.35 1.74 -0.65 -2.79 0.00 0.00 177.10 175.89 1ffv h PRO 120 N 8.05 0.00 -2.18 0.43 0.11 -1.77 -3.36 132.00 133.27 1ffv h PRO 120 Ca -0.09 0.00 -0.56 0.00 0.11 0.00 0.00 66.00 65.46 1ffv h PRO 120 Cb 1.10 0.00 -0.41 0.00 0.11 0.00 0.00 31.00 31.79 1ffv h PRO 120 CO 0.28 0.29 -0.80 0.27 -0.21 0.00 0.00 178.00 177.83 1ffv n ASN 121 N -3.37 3.21 -4.78 -2.05 2.04 -1.26 -4.84 115.26 104.20 1ffv n ASN 121 Ca 0.01 -3.42 -0.36 0.00 -0.44 0.00 0.00 54.58 50.36 1ffv n ASN 121 Cb 0.50 -0.60 -0.05 0.00 -2.53 0.00 0.00 39.78 37.10 1ffv n ASN 121 CO 0.00 0.00 0.00 -2.16 -0.44 0.00 0.00 177.26 174.66 1ffv s PRO 122 N -2.91 4.28 0.66 -0.53 0.04 -1.26 -5.06 135.00 130.22 1ffv s PRO 122 Ca 0.44 1.44 -0.07 0.00 0.04 0.00 0.00 61.00 62.85 1ffv s PRO 122 Cb 0.27 -2.58 0.04 0.00 0.04 0.00 0.00 34.50 32.26 1ffv s PRO 122 CO -0.10 -0.02 0.97 0.95 0.04 0.00 0.00 177.00 178.84 1ffv s THR 123 N -1.69 2.95 0.22 1.26 -4.23 -1.26 -4.86 115.64 108.03 1ffv s THR 123 Ca 0.56 -0.10 -0.08 0.00 -1.18 0.00 0.00 61.69 60.89 1ffv s THR 123 Cb -0.20 -3.23 0.16 0.00 1.34 0.00 0.00 72.50 70.57 1ffv s THR 123 CO 0.25 -0.24 1.81 -0.08 -0.54 0.00 0.00 174.62 175.82 1ffv h GLU 124 N -0.42 0.69 -0.60 3.99 4.81 -1.98 -0.37 114.58 120.69 1ffv h GLU 124 Ca -0.45 -0.04 0.01 0.00 -0.13 0.00 0.00 59.36 58.75 1ffv h GLU 124 Cb 1.29 -0.15 -0.03 0.00 0.63 0.00 0.00 28.75 30.48 1ffv h GLU 124 CO 0.61 0.45 0.40 0.00 -0.73 0.00 0.00 179.01 179.74 1ffv h ALA 125 N 1.37 0.76 -0.17 2.92 0.00 -1.99 -0.69 119.26 121.47 1ffv h ALA 125 Ca 0.32 -0.04 -0.07 0.00 0.00 0.00 0.00 54.91 55.11 1ffv h ALA 125 Cb 0.22 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 1ffv h ALA 125 CO -0.20 0.20 -0.22 0.93 0.00 0.00 0.00 179.25 179.97 1ffv h GLU 126 N 0.82 0.29 0.08 0.00 5.08 -1.74 -1.26 114.58 117.84 1ffv h GLU 126 Ca 0.22 -0.09 -0.00 0.00 -1.00 0.00 0.00 59.36 58.49 1ffv h GLU 126 Cb -0.09 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.13 1ffv h GLU 126 CO -0.05 0.50 -0.04 0.82 -1.00 0.00 0.00 179.01 179.24 1ffv h ILE 127 N 0.26 1.18 -0.76 3.13 2.04 -0.39 0.45 117.51 123.43 1ffv h ILE 127 Ca 0.05 -0.98 0.07 0.00 1.00 0.00 0.00 64.86 65.00 1ffv h ILE 127 Cb 0.53 1.80 -0.06 0.00 -0.74 0.00 0.00 36.82 38.35 1ffv h ILE 127 CO 0.04 0.24 0.44 0.03 0.00 0.00 0.00 178.15 178.89 1ffv h ARG 128 N -0.55 0.76 -0.24 2.37 3.08 -1.01 0.98 114.38 119.76 1ffv h ARG 128 Ca -0.01 -0.05 -0.19 0.00 0.07 0.00 0.00 59.98 59.80 1ffv h ARG 128 Cb 0.47 -0.17 0.00 0.00 0.08 0.00 0.00 29.97 30.35 1ffv h ARG 128 CO 0.02 0.50 -0.60 1.98 -1.07 0.00 0.00 179.97 180.80 1ffv h MET 129 N 0.79 0.81 0.00 0.04 4.05 -1.22 -2.84 114.93 116.55 1ffv h MET 129 Ca 0.34 -0.54 0.00 0.00 -0.28 0.00 0.00 59.70 59.22 1ffv h MET 129 Cb 0.22 0.08 0.00 0.00 -0.80 0.00 0.00 31.60 31.10 1ffv h MET 129 CO -0.20 1.17 0.00 0.78 0.23 0.00 0.00 176.91 178.89 1ffv h GLY 130 N 0.74 0.00 -1.83 1.39 0.00 0.98 -2.58 103.07 101.76 1ffv h GLY 130 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1ffv h GLY 130 CO 0.13 0.00 0.00 1.03 0.00 0.00 0.00 176.54 177.70 1ffv n MET 131 N -2.90 2.93 0.29 4.80 2.81 0.24 -4.70 117.12 120.58 1ffv n MET 131 Ca 0.00 -2.35 0.18 0.00 -1.81 0.00 0.00 57.70 53.72 1ffv n MET 131 Cb 0.26 -1.45 0.98 0.00 -0.71 0.00 0.00 33.22 32.29 1ffv n MET 131 CO 0.00 0.00 0.00 1.79 1.51 0.00 0.00 175.97 179.27 1ffv h THR 132 N 2.77 0.29 0.00 2.03 1.35 -1.22 -1.90 112.91 116.23 1ffv h THR 132 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.86 1ffv h THR 132 Cb 0.93 0.91 0.00 0.00 -1.73 0.00 0.00 68.15 68.26 1ffv h THR 132 CO 0.04 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.92 1ffv n GLY 133 N -1.26 -1.19 3.26 5.82 0.00 -1.26 -4.76 105.19 105.80 1ffv n GLY 133 Ca -0.01 -0.15 -0.34 0.00 0.00 0.00 0.00 46.02 45.52 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 -2.47 3.76 0.16 1.61 0.01 -0.72 -3.31 114.94 113.98 1ffv s ASN 134 Ca 0.30 -0.47 -0.03 0.00 -0.71 0.00 0.00 52.86 51.96 1ffv s ASN 134 Cb 0.20 -1.59 -0.05 0.00 0.41 0.00 0.00 41.25 40.21 1ffv s ASN 134 CO 0.43 0.05 0.36 -0.76 -1.51 0.00 0.00 177.10 175.68 1ffv s LEU 135 N 1.00 4.26 -0.03 0.60 1.43 0.46 -5.01 118.68 121.39 1ffv s LEU 135 Ca -0.02 0.49 -0.02 0.00 -1.03 0.00 0.00 54.13 53.55 1ffv s LEU 135 Cb -0.15 -3.23 0.02 0.00 0.03 0.00 0.00 46.19 42.86 1ffv s LEU 135 CO -0.02 0.03 0.08 0.00 0.23 0.00 0.00 176.35 176.66 1ffv n ARG 137 N 3.51 0.42 -0.13 0.00 5.12 -1.26 -4.71 116.66 119.61 1ffv n ARG 137 Ca -0.18 -0.11 -0.28 0.00 -1.93 0.00 0.00 57.85 55.35 1ffv n ARG 137 Cb 0.56 -1.50 -0.10 0.00 -1.16 0.00 0.00 32.46 30.26 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 -0.93 1.53 -0.00 0.00 1.35 -1.93 -3.48 112.91 109.45 1ffv h THR 139 Ca -0.64 -2.67 -0.00 0.00 -0.55 0.00 0.00 66.41 62.55 1ffv h THR 139 Cb 1.59 2.45 -0.00 0.00 -1.73 0.00 0.00 68.15 70.46 1ffv h THR 139 CO -0.37 0.76 -0.00 0.61 -0.25 0.00 0.00 175.52 176.27 1ffv n GLY 140 N 0.75 0.48 4.71 5.82 0.00 -1.26 -4.24 105.19 111.45 1ffv n GLY 140 Ca -0.01 -0.20 0.00 0.00 0.00 0.00 0.00 46.02 45.82 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 -2.98 0.00 -0.16 1.61 4.01 -1.26 -4.78 117.16 113.61 1ffv n TYR 141 Ca -0.00 0.00 -0.03 0.00 -0.16 0.00 0.00 57.90 57.71 1ffv n TYR 141 Cb 0.01 -0.16 0.04 0.00 -0.31 0.00 0.00 39.34 38.93 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 0.13 0.05 0.00 -0.72 4.15 -2.01 -0.64 115.11 116.07 1ffv h GLN 142 Ca 0.00 -0.00 -0.03 0.00 0.77 0.00 0.00 58.65 59.38 1ffv h GLN 142 Cb 0.00 -0.01 -0.00 0.00 0.21 0.00 0.00 27.48 27.67 1ffv h GLN 142 CO 0.00 0.03 -0.16 -0.91 -1.93 0.00 0.00 178.83 175.86 1ffv h ASN 143 N 0.05 0.00 -0.33 -0.69 2.35 -1.86 -2.79 115.58 112.31 1ffv h ASN 143 Ca 0.24 0.00 -0.17 0.00 -0.55 0.00 0.00 56.30 55.83 1ffv h ASN 143 Cb 0.37 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.74 1ffv h ASN 143 CO -0.46 0.16 -0.44 0.40 -1.65 0.00 0.00 177.43 175.43 1ffv h ILE 144 N 0.00 1.28 -0.68 2.81 2.04 -1.46 0.13 117.51 121.63 1ffv h ILE 144 Ca -0.00 -1.62 0.01 0.00 1.00 0.00 0.00 64.86 64.25 1ffv h ILE 144 Cb 0.76 1.53 -0.04 0.00 -0.74 0.00 0.00 36.82 38.33 1ffv h ILE 144 CO 0.02 0.53 0.44 0.58 0.00 0.00 0.00 178.15 179.73 1ffv h VAL 145 N 0.67 1.16 -0.36 1.67 2.07 -0.98 0.36 116.25 120.83 1ffv h VAL 145 Ca 0.04 -0.31 -0.10 0.00 0.82 0.00 0.00 66.70 67.15 1ffv h VAL 145 Cb 1.04 0.18 -0.02 0.00 -1.52 0.00 0.00 31.29 30.97 1ffv h VAL 145 CO 0.10 0.16 -0.20 0.11 0.02 0.00 0.00 177.57 177.77 1ffv h LYS 146 N 0.90 0.69 -0.39 1.57 1.57 -1.26 -0.98 116.57 118.66 1ffv h LYS 146 Ca 0.25 -0.26 -0.01 0.00 -1.87 0.00 0.00 60.65 58.76 1ffv h LYS 146 Cb -0.08 -0.04 -0.02 0.00 0.08 0.00 0.00 32.23 32.17 1ffv h LYS 146 CO -0.07 0.84 0.19 0.00 -0.57 0.00 0.00 179.45 179.84 1ffv h ALA 147 N 1.17 0.51 -0.39 3.86 0.00 0.27 0.09 119.26 124.77 1ffv h ALA 147 Ca 0.09 -0.10 -0.10 0.00 0.00 0.00 0.00 54.91 54.80 1ffv h ALA 147 Cb 0.67 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.29 1ffv h ALA 147 CO 0.05 0.06 -0.15 0.28 0.00 0.00 0.00 179.25 179.49 1ffv h VAL 148 N 0.50 1.26 -0.52 0.00 2.07 -0.75 -1.49 116.25 117.31 1ffv h VAL 148 Ca 0.14 -1.20 -0.09 0.00 0.82 0.00 0.00 66.70 66.37 1ffv h VAL 148 Cb 0.11 1.13 -0.02 0.00 -1.52 0.00 0.00 31.29 30.99 1ffv h VAL 148 CO -0.02 0.40 -0.02 1.56 0.02 0.00 0.00 177.57 179.52 1ffv h GLN 149 N 0.64 0.89 -0.60 1.57 4.20 -0.82 -0.26 115.11 120.74 1ffv h GLN 149 Ca 0.10 -0.27 -0.07 0.00 0.06 0.00 0.00 58.65 58.48 1ffv h GLN 149 Cb 0.62 -0.09 -0.02 0.00 0.30 0.00 0.00 27.48 28.29 1ffv h GLN 149 CO 0.04 0.90 0.10 -0.92 -0.67 0.00 0.00 178.83 178.29 1ffv h TYR 150 N 0.82 1.05 -0.38 2.96 5.03 -0.70 -2.18 116.97 123.58 1ffv h TYR 150 Ca 0.15 -0.14 -0.13 0.00 2.58 0.00 0.00 58.73 61.19 1ffv h TYR 150 Cb 0.52 -0.29 -0.01 0.00 1.55 0.00 0.00 36.73 38.50 1ffv h TYR 150 CO 0.03 0.90 -0.26 0.00 -1.32 0.00 0.00 178.16 177.51 1ffv h ALA 151 N 1.02 0.81 -0.68 1.82 0.00 -0.93 -2.33 119.26 118.97 1ffv h ALA 151 Ca 0.18 -0.39 -0.01 0.00 0.00 0.00 0.00 54.91 54.69 1ffv h ALA 151 Cb 0.42 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.03 1ffv h ALA 151 CO 0.01 0.65 0.38 0.00 0.00 0.00 0.00 179.25 180.29 1ffv h ALA 152 N 1.01 0.87 -0.55 0.00 0.00 -0.82 -0.34 119.26 119.43 1ffv h ALA 152 Ca 0.09 -0.10 -0.12 0.00 0.00 0.00 0.00 54.91 54.78 1ffv h ALA 152 Cb 0.79 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.30 1ffv h ALA 152 CO 0.07 0.37 -0.11 0.00 0.00 0.00 0.00 179.25 179.57 1ffv h ARG 153 N 0.92 1.04 -0.01 0.00 3.08 -1.31 -2.97 114.38 115.14 1ffv h ARG 153 Ca 0.24 -0.39 -0.12 0.00 0.07 0.00 0.00 59.98 59.78 1ffv h ARG 153 Cb 0.02 -0.06 -0.02 0.00 0.08 0.00 0.00 29.97 29.99 1ffv h ARG 153 CO -0.04 1.08 -0.56 -0.22 -1.07 0.00 0.00 179.97 179.17 1ffv h LYS 154 N 0.92 0.02 0.00 0.04 3.64 -1.09 -3.00 116.57 117.10 1ffv h LYS 154 Ca 0.14 -0.01 -0.07 0.00 -1.27 0.00 0.00 60.65 59.44 1ffv h LYS 154 Cb 0.68 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.50 1ffv h LYS 154 CO 0.05 0.57 -0.35 -0.07 -2.27 0.00 0.00 179.45 177.38 1ffv h LEU 155 N 0.02 0.00 -3.60 5.20 3.38 -0.97 -2.88 115.31 116.45 1ffv h LEU 155 Ca -0.00 0.00 -0.19 0.00 0.09 0.00 0.00 57.88 57.77 1ffv h LEU 155 Cb 0.99 0.00 -0.11 0.00 0.09 0.00 0.00 40.66 41.62 1ffv h LEU 155 CO 0.07 0.35 0.19 0.00 0.09 0.00 0.00 178.44 179.14 1ffv n GLN 156 N -3.48 3.16 0.00 1.13 6.02 -1.13 -5.10 117.38 117.97 1ffv n GLN 156 Ca 0.00 -3.06 0.10 0.00 -0.01 0.00 0.00 57.00 54.03 1ffv n GLN 156 Cb 0.51 -2.08 0.08 0.00 1.02 0.00 0.00 30.24 29.77 1ffv n GLN 156 CO 0.00 0.00 0.00 -1.91 -1.01 0.00 0.00 177.06 174.14