#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3f1h n VAL 3 N 0.00 0.00 0.26 1.55 0.31 -1.26 -4.70 118.33 114.48 3f1h n VAL 3 Ca 0.00 0.00 0.17 0.00 -0.01 0.00 0.00 64.34 64.50 3f1h n VAL 3 Cb 0.00 -0.38 0.91 0.00 -0.91 0.00 0.00 33.84 33.46 3f1h n VAL 3 CO 0.00 0.00 0.00 0.07 -1.32 0.00 0.00 176.83 175.58 3f1h h LYS 4 N 0.00 0.00 -7.24 5.55 -0.00 -2.07 -3.43 116.57 109.39 3f1h h LYS 4 Ca 0.00 0.00 -0.49 0.00 -0.00 0.00 0.00 60.65 60.16 3f1h h LYS 4 Cb 0.00 0.00 0.20 0.00 -0.00 0.00 0.00 32.23 32.43 3f1h h LYS 4 CO 0.00 0.00 0.16 0.00 -0.00 0.00 0.00 179.45 179.61 3f1h s MET 5 N -4.51 0.49 0.00 0.07 0.23 -1.26 -4.97 119.30 109.35 3f1h s MET 5 Ca -0.05 1.29 0.00 0.00 -1.03 0.00 0.00 55.69 55.91 3f1h s MET 5 Cb 0.14 -1.68 0.00 0.00 -1.53 0.00 0.00 34.83 31.76 3f1h s MET 5 CO 0.50 -2.91 0.00 -2.39 -2.03 0.00 0.00 175.02 168.19 3f1h n HIS 6 N -4.40 0.00 -0.11 3.16 1.44 -1.26 -5.17 115.22 108.87 3f1h n HIS 6 Ca 0.09 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.80 3f1h n HIS 6 Cb 0.53 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.64 3f1h n HIS 6 CO 0.00 0.00 0.00 0.28 -2.81 0.00 0.00 176.34 173.81 3f1h n VAL 7 N 0.00 0.00 -0.66 0.61 0.31 -1.26 -4.93 118.33 112.39 3f1h n VAL 7 Ca 0.00 0.00 -0.24 0.00 -0.01 0.00 0.00 64.34 64.09 3f1h n VAL 7 Cb 0.00 -0.28 0.02 0.00 -0.91 0.00 0.00 33.84 32.67 3f1h n VAL 7 CO 0.00 0.00 0.00 2.29 -1.32 0.00 0.00 176.83 177.80 3f1h n LYS 8 N -1.50 0.00 0.00 5.55 -0.00 -1.26 -5.06 118.16 115.89 3f1h n LYS 8 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.31 3f1h n LYS 8 Cb 0.00 -0.66 0.00 0.00 -0.00 0.00 0.00 35.03 34.37 3f1h n LYS 8 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.40 177.76 3f1h n LYS 9 N 1.66 3.69 -2.31 -1.58 2.85 -1.26 -5.01 118.16 116.20 3f1h n LYS 9 Ca -0.01 0.00 -0.38 0.00 -1.05 0.00 0.00 58.31 56.87 3f1h n LYS 9 Cb 0.41 0.00 -0.03 0.00 -0.65 0.00 0.00 35.03 34.76 3f1h n LYS 9 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 177.40 177.55 3f1h s GLY 10 N 0.00 0.61 0.00 2.58 0.00 -1.26 -4.80 107.32 104.45 3f1h s GLY 10 Ca 0.00 -1.29 0.00 0.00 0.00 0.00 0.00 44.72 43.43 3f1h s GLY 10 CO 0.00 3.03 0.00 2.09 0.00 0.00 0.00 173.10 178.22 3f1h n ASP 11 N 11.07 0.00 -4.75 1.64 5.68 -1.25 -4.88 116.55 124.06 3f1h n ASP 11 Ca 0.19 -0.69 -0.41 0.00 -0.50 0.00 0.00 54.79 53.38 3f1h n ASP 11 Cb 0.50 0.00 -0.04 0.00 -1.14 0.00 0.00 41.12 40.44 3f1h n ASP 11 CO 0.00 0.00 0.00 -0.89 -1.33 0.00 0.00 177.20 174.98 3f1h s THR 12 N -2.29 3.45 -0.09 2.12 2.01 -1.26 -0.47 115.64 119.11 3f1h s THR 12 Ca 0.00 1.39 -0.21 0.00 0.31 0.00 0.00 61.69 63.18 3f1h s THR 12 Cb 0.00 -3.88 0.05 0.00 0.01 0.00 0.00 72.50 68.67 3f1h s THR 12 CO 0.00 0.30 0.50 -0.69 -0.69 0.00 0.00 174.62 174.04 3f1h s VAL 13 N -0.85 0.02 -0.10 3.82 1.01 -0.01 -3.58 120.40 120.71 3f1h s VAL 13 Ca 0.47 -0.16 -0.04 0.00 0.00 0.00 0.00 61.98 62.25 3f1h s VAL 13 Cb -0.33 -0.77 -0.04 0.00 0.00 0.00 0.00 36.38 35.25 3f1h s VAL 13 CO 0.41 -0.09 0.06 -0.22 0.00 0.00 0.00 175.10 175.26 3f1h s LEU 14 N -0.69 3.92 -0.45 3.92 0.20 0.28 -2.40 118.68 123.46 3f1h s LEU 14 Ca -0.08 0.28 -0.19 0.00 0.69 0.00 0.00 54.13 54.83 3f1h s LEU 14 Cb -0.03 -1.93 0.03 0.00 -0.43 0.00 0.00 46.19 43.83 3f1h s LEU 14 CO 0.05 0.39 0.57 -0.69 -0.29 0.00 0.00 176.35 176.38 3f1h s VAL 15 N -0.95 4.93 -0.38 1.68 1.01 -0.48 -0.48 120.40 125.73 3f1h s VAL 15 Ca 0.14 -0.19 0.08 0.00 0.00 0.00 0.00 61.98 62.01 3f1h s VAL 15 Cb -0.12 -4.17 0.62 0.00 0.00 0.00 0.00 36.38 32.71 3f1h s VAL 15 CO 0.03 -0.59 1.60 0.00 0.00 0.00 0.00 175.10 176.15 3f1h n ALA 16 N 6.01 4.17 -1.00 5.51 0.00 -0.99 0.76 120.51 134.98 3f1h n ALA 16 Ca -0.05 -1.86 0.00 0.00 0.00 0.00 0.00 53.44 51.53 3f1h n ALA 16 Cb 0.47 -1.21 0.00 0.00 0.00 0.00 0.00 19.45 18.71 3f1h n ALA 16 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3f1h n SER 17 N -0.02 0.00 0.00 0.00 3.41 -1.23 -4.87 113.62 110.90 3f1h n SER 17 Ca 0.33 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.94 3f1h n SER 17 Cb 1.19 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 65.14 3f1h n SER 17 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3f1h n GLY 18 N 3.24 0.22 0.10 5.00 0.00 -1.26 -4.26 105.19 108.22 3f1h n GLY 18 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3f1h n GLY 18 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3f1h n LYS 19 N 0.00 0.28 -1.12 1.61 5.02 -1.26 -1.31 118.16 121.38 3f1h n LYS 19 Ca 0.00 0.00 -0.00 0.00 -2.02 0.00 0.00 58.31 56.29 3f1h n LYS 19 Cb 0.00 -1.03 -0.01 0.00 -0.02 0.00 0.00 35.03 33.97 3f1h n LYS 19 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 3f1h n TYR 20 N -0.33 0.00 -1.54 2.13 4.02 -1.26 -5.03 117.16 115.15 3f1h n TYR 20 Ca 0.00 -0.38 -0.36 0.00 -0.01 0.00 0.00 57.90 57.15 3f1h n TYR 20 Cb 0.01 0.08 0.08 0.00 -0.02 0.00 0.00 39.34 39.49 3f1h n TYR 20 CO 0.00 0.00 0.00 0.36 -1.01 0.00 0.00 176.86 176.21 3f1h n LYS 21 N 0.24 0.81 0.00 -0.72 2.85 -0.43 -2.28 118.16 118.63 3f1h n LYS 21 Ca -0.05 0.33 0.00 0.00 -1.05 0.00 0.00 58.31 57.54 3f1h n LYS 21 Cb 0.90 -2.39 0.00 0.00 -0.65 0.00 0.00 35.03 32.89 3f1h n LYS 21 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 3f1h n GLY 22 N 0.97 1.98 3.46 2.58 0.00 0.23 -4.96 105.19 109.46 3f1h n GLY 22 Ca 0.15 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.85 3f1h n GLY 22 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3f1h n ARG 23 N -0.40 -0.76 -3.96 1.61 5.12 -0.97 -4.65 116.66 112.66 3f1h n ARG 23 Ca 0.00 -0.18 -0.09 0.00 -1.93 0.00 0.00 57.85 55.65 3f1h n ARG 23 Cb 0.00 -1.98 -0.10 0.00 -1.16 0.00 0.00 32.46 29.21 3f1h n ARG 23 CO 0.00 0.00 0.00 0.08 -1.93 0.00 0.00 177.63 175.78 3f1h s VAL 24 N -2.43 0.12 0.00 1.55 1.01 -1.26 -1.38 120.40 118.00 3f1h s VAL 24 Ca 0.60 -0.98 0.00 0.00 0.00 0.00 0.00 61.98 61.60 3f1h s VAL 24 Cb -0.20 -0.52 0.00 0.00 0.00 0.00 0.00 36.38 35.66 3f1h s VAL 24 CO 0.65 -0.54 0.00 0.61 0.00 0.00 0.00 175.10 175.82 3f1h n GLY 25 N 1.29 -0.35 3.89 4.51 0.00 -1.01 -4.92 105.19 108.60 3f1h n GLY 25 Ca -0.22 -0.93 -0.32 0.00 0.00 0.00 0.00 46.02 44.55 3f1h n GLY 25 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3f1h s LYS 26 N -2.00 3.66 -0.24 1.61 2.20 -1.26 -0.83 119.74 122.88 3f1h s LYS 26 Ca 0.00 -0.00 -0.23 0.00 -0.36 0.00 0.00 55.97 55.38 3f1h s LYS 26 Cb 0.00 -2.86 -0.01 0.00 -1.51 0.00 0.00 37.83 33.45 3f1h s LYS 26 CO 0.00 0.47 0.75 0.14 -0.36 0.00 0.00 175.35 176.36 3f1h s VAL 27 N -1.62 4.90 -1.24 4.02 -7.23 0.39 -4.41 120.40 115.20 3f1h s VAL 27 Ca 0.40 1.41 0.23 0.00 -1.81 0.00 0.00 61.98 62.22 3f1h s VAL 27 Cb -0.12 -4.05 -0.07 0.00 0.56 0.00 0.00 36.38 32.70 3f1h s VAL 27 CO 0.23 -0.02 1.17 2.29 -0.31 0.00 0.00 175.10 178.45 3f1h n LYS 28 N 5.79 0.28 -3.53 4.82 2.85 -0.42 -3.80 118.16 124.15 3f1h n LYS 28 Ca 0.03 -0.21 -0.14 0.00 -1.05 0.00 0.00 58.31 56.94 3f1h n LYS 28 Cb 0.48 -1.50 -0.05 0.00 -0.65 0.00 0.00 35.03 33.32 3f1h n LYS 28 CO 0.00 0.00 0.00 -2.00 -0.05 0.00 0.00 177.40 175.35 3f1h s GLU 29 N -2.86 0.89 -0.11 -1.58 2.56 -1.21 -5.00 118.70 111.39 3f1h s GLU 29 Ca 0.12 0.11 -0.02 0.00 0.00 0.00 0.00 54.97 55.19 3f1h s GLU 29 Cb 0.17 0.42 0.04 0.00 2.00 0.00 0.00 34.13 36.76 3f1h s GLU 29 CO 0.73 -0.30 0.00 0.08 -0.56 0.00 0.00 175.26 175.21 3f1h s VAL 30 N -1.54 0.50 -0.79 3.70 1.01 -1.26 -0.17 120.40 121.85 3f1h s VAL 30 Ca -0.05 -0.11 -0.10 0.00 0.00 0.00 0.00 61.98 61.71 3f1h s VAL 30 Cb -0.00 -0.73 0.21 0.00 0.00 0.00 0.00 36.38 35.85 3f1h s VAL 30 CO 0.04 0.15 0.69 -0.76 0.00 0.00 0.00 175.10 175.21 3f1h s LEU 31 N 1.91 6.30 0.34 3.92 1.43 0.27 -4.91 118.68 127.94 3f1h s LEU 31 Ca 0.03 -2.81 0.05 0.00 -1.03 0.00 0.00 54.13 50.37 3f1h s LEU 31 Cb -0.14 -2.10 0.60 0.00 0.03 0.00 0.00 46.19 44.58 3f1h s LEU 31 CO -0.06 -0.49 1.87 1.55 0.23 0.00 0.00 176.35 179.44 3f1h h PRO 32 N 7.47 0.50 0.00 1.29 0.13 -1.94 0.15 132.00 139.60 3f1h h PRO 32 Ca 0.08 -0.11 0.00 0.00 -0.87 0.00 0.00 66.00 65.10 3f1h h PRO 32 Cb 1.00 -0.07 0.00 0.00 0.13 0.00 0.00 31.00 32.06 3f1h h PRO 32 CO 0.75 0.55 0.07 1.63 -0.23 0.00 0.00 178.00 180.77 3f1h n LYS 33 N -4.27 0.03 0.00 0.86 5.02 -1.26 -1.10 118.16 117.45 3f1h n LYS 33 Ca 0.01 0.48 0.00 0.00 -2.02 0.00 0.00 58.31 56.78 3f1h n LYS 33 Cb 0.26 -1.67 0.00 0.00 -0.02 0.00 0.00 35.03 33.59 3f1h n LYS 33 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 3f1h n LYS 34 N -1.63 -0.21 -3.75 1.97 5.02 -0.35 -5.04 118.16 114.17 3f1h n LYS 34 Ca -0.00 -0.20 -0.23 0.00 -2.02 0.00 0.00 58.31 55.86 3f1h n LYS 34 Cb 0.08 -0.65 0.03 0.00 -0.02 0.00 0.00 35.03 34.47 3f1h n LYS 34 CO 0.00 0.00 0.00 0.98 -0.52 0.00 0.00 177.40 177.86 3f1h n TYR 35 N -0.01 -1.98 -3.88 2.13 4.19 0.39 -4.92 117.16 113.08 3f1h n TYR 35 Ca 0.00 0.85 -0.09 0.00 3.31 0.00 0.00 57.90 61.97 3f1h n TYR 35 Cb 0.19 -4.30 -0.07 0.00 0.49 0.00 0.00 39.34 35.65 3f1h n TYR 35 CO 0.00 0.00 0.00 0.00 0.91 0.00 0.00 176.86 177.77 3f1h s ALA 36 N -3.61 -0.16 0.03 2.98 0.00 -0.95 -1.82 121.76 118.23 3f1h s ALA 36 Ca 0.13 -0.68 0.01 0.00 0.00 0.00 0.00 51.96 51.42 3f1h s ALA 36 Cb -0.06 0.54 -0.02 0.00 0.00 0.00 0.00 23.12 23.57 3f1h s ALA 36 CO 0.82 -0.53 -0.05 0.14 0.00 0.00 0.00 175.76 176.14 3f1h s VAL 37 N -3.88 0.33 -0.15 0.00 -7.23 0.19 0.97 120.40 110.63 3f1h s VAL 37 Ca 0.07 -0.98 -0.05 0.00 -1.81 0.00 0.00 61.98 59.21 3f1h s VAL 37 Cb 0.05 -0.43 -0.04 0.00 0.56 0.00 0.00 36.38 36.52 3f1h s VAL 37 CO -0.09 -0.43 0.04 0.27 -0.31 0.00 0.00 175.10 174.58 3f1h s ILE 38 N -1.39 4.61 0.00 -0.62 -4.36 0.77 0.28 121.20 120.48 3f1h s ILE 38 Ca -0.13 -0.11 0.00 0.00 -0.26 0.00 0.00 60.65 60.15 3f1h s ILE 38 Cb -0.10 -3.03 0.00 0.00 1.25 0.00 0.00 42.46 40.58 3f1h s ILE 38 CO -0.00 0.52 0.00 0.52 0.24 0.00 0.00 174.94 176.22 3f1h n VAL 39 N 3.03 0.00 -1.26 8.37 0.31 -1.26 -1.30 118.33 126.22 3f1h n VAL 39 Ca -0.18 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.15 3f1h n VAL 39 Cb 0.53 -0.21 0.00 0.00 -0.91 0.00 0.00 33.84 33.25 3f1h n VAL 39 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 3f1h n GLU 40 N 0.00 0.00 0.00 5.55 -0.58 -1.26 -4.30 120.64 120.04 3f1h n GLU 40 Ca 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.74 3f1h n GLU 40 Cb 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 30.87 3f1h n GLU 40 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3f1h n GLY 41 N 0.00 0.73 3.69 0.62 0.00 -1.26 -4.92 105.19 104.05 3f1h n GLY 41 Ca 0.00 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.58 3f1h n GLY 41 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3f1h n VAL 42 N -0.42 0.06 -3.62 1.61 0.31 -1.26 -4.93 118.33 110.08 3f1h n VAL 42 Ca 0.00 -0.01 -0.18 0.00 -0.01 0.00 0.00 64.34 64.14 3f1h n VAL 42 Cb 0.00 -1.80 -0.15 0.00 -0.91 0.00 0.00 33.84 30.98 3f1h n VAL 42 CO 0.00 0.00 0.00 0.20 -1.32 0.00 0.00 176.83 175.71 3f1h s ASN 43 N 1.34 1.03 0.17 4.52 -0.87 -1.26 -0.69 114.94 119.18 3f1h s ASN 43 Ca 0.78 0.13 0.11 0.00 -1.57 0.00 0.00 52.86 52.31 3f1h s ASN 43 Cb -0.59 0.27 -0.04 0.00 -0.02 0.00 0.00 41.25 40.87 3f1h s ASN 43 CO 0.36 -0.27 -0.23 -0.63 -2.57 0.00 0.00 177.10 173.75 3f1h s ILE 44 N 2.29 2.42 -0.45 0.60 -1.09 -0.83 -4.95 121.20 119.19 3f1h s ILE 44 Ca 0.04 -1.88 -0.26 0.00 -2.23 0.00 0.00 60.65 56.31 3f1h s ILE 44 Cb -0.13 -2.13 0.03 0.00 -1.58 0.00 0.00 42.46 38.64 3f1h s ILE 44 CO -0.08 -0.04 0.98 -0.69 -1.23 0.00 0.00 174.94 173.89 3f1h s VAL 45 N -1.45 4.42 -0.97 2.92 1.01 -1.26 -3.88 120.40 121.19 3f1h s VAL 45 Ca 0.19 0.94 -0.16 0.00 0.00 0.00 0.00 61.98 62.94 3f1h s VAL 45 Cb -0.09 -4.47 0.17 0.00 0.00 0.00 0.00 36.38 31.99 3f1h s VAL 45 CO 0.09 -0.84 1.11 -0.75 0.00 0.00 0.00 175.10 174.71 3f1h s LYS 46 N 3.91 3.73 0.62 2.72 2.20 -0.95 -4.85 119.74 127.11 3f1h s LYS 46 Ca 0.40 -2.15 0.20 0.00 -0.36 0.00 0.00 55.97 54.06 3f1h s LYS 46 Cb -0.10 -4.82 1.07 0.00 -1.51 0.00 0.00 37.83 32.47 3f1h s LYS 46 CO 0.27 -1.64 1.59 0.87 -0.36 0.00 0.00 175.35 176.07 3f1h h LYS 47 N 8.18 0.00 -4.42 4.03 1.57 -1.87 -3.38 116.57 120.68 3f1h h LYS 47 Ca 0.18 0.00 -0.53 0.00 -1.87 0.00 0.00 60.65 58.42 3f1h h LYS 47 Cb 0.99 0.00 0.06 0.00 0.08 0.00 0.00 32.23 33.36 3f1h h LYS 47 CO 1.06 0.00 -0.19 0.00 -0.57 0.00 0.00 179.45 179.74 3f1h n ALA 48 N -1.74 -2.59 -1.00 3.86 0.00 -1.26 -4.77 120.51 113.02 3f1h n ALA 48 Ca -0.01 0.38 0.00 0.00 0.00 0.00 0.00 53.44 53.81 3f1h n ALA 48 Cb 0.54 -1.24 0.00 0.00 0.00 0.00 0.00 19.45 18.76 3f1h n ALA 48 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3f1h n VAL 49 N 0.51 0.00 -3.77 0.00 0.31 -1.26 -4.27 118.33 109.84 3f1h n VAL 49 Ca 0.14 0.96 -0.13 0.00 -0.01 0.00 0.00 64.34 65.30 3f1h n VAL 49 Cb 0.13 -1.85 -0.11 0.00 -0.91 0.00 0.00 33.84 31.10 3f1h n VAL 49 CO 0.00 0.00 0.00 -0.60 -1.32 0.00 0.00 176.83 174.91 3f1h s ARG 50 N -0.92 0.34 0.02 5.55 6.06 -1.26 -3.01 118.95 125.72 3f1h s ARG 50 Ca 0.00 0.42 -0.28 0.00 -2.50 0.00 0.00 55.73 53.37 3f1h s ARG 50 Cb 0.00 0.15 -0.15 0.00 0.06 0.00 0.00 34.95 35.00 3f1h s ARG 50 CO 0.00 -0.05 1.16 -0.24 -2.50 0.00 0.00 175.30 173.67 3f1h h VAL 51 N 4.76 0.03 -3.40 7.11 3.04 -1.92 -3.44 116.25 122.42 3f1h h VAL 51 Ca -0.27 -0.28 -0.66 0.00 -1.01 0.00 0.00 66.70 64.48 3f1h h VAL 51 Cb 1.19 0.04 -0.18 0.00 -2.01 0.00 0.00 31.29 30.33 3f1h h VAL 51 CO 0.32 0.00 -0.65 -0.94 -1.01 0.00 0.00 177.57 175.30 3f1h s SER 52 N -4.43 4.96 0.57 3.17 1.04 -1.26 -5.02 113.70 112.73 3f1h s SER 52 Ca -0.15 0.01 0.32 0.00 0.48 0.00 0.00 55.95 56.61 3f1h s SER 52 Cb 0.02 -1.52 1.42 0.00 0.10 0.00 0.00 66.02 66.04 3f1h s SER 52 CO 0.45 0.30 1.76 -0.65 0.98 0.00 0.00 173.24 176.08 3f1h h PRO 53 N 5.75 0.00 -6.94 4.02 0.11 -2.00 -3.41 132.00 129.54 3f1h h PRO 53 Ca -0.43 0.00 -0.51 0.00 0.11 0.00 0.00 66.00 65.17 3f1h h PRO 53 Cb 1.19 0.00 0.05 0.00 0.11 0.00 0.00 31.00 32.35 3f1h h PRO 53 CO 0.57 0.00 0.51 0.21 -0.21 0.00 0.00 178.00 179.09 3f1h s LYS 54 N -4.73 4.07 0.11 1.05 2.20 -1.26 -4.65 119.74 116.53 3f1h s LYS 54 Ca -0.04 1.86 0.00 0.00 -0.36 0.00 0.00 55.97 57.43 3f1h s LYS 54 Cb 0.18 -2.70 0.00 0.00 -1.51 0.00 0.00 37.83 33.81 3f1h s LYS 54 CO 0.65 -0.31 0.00 0.66 -0.36 0.00 0.00 175.35 175.98 3f1h n TYR 55 N 0.12 -1.78 0.18 4.03 4.02 -1.26 -4.96 117.16 117.50 3f1h n TYR 55 Ca 0.04 1.00 -0.07 0.00 -0.01 0.00 0.00 57.90 58.86 3f1h n TYR 55 Cb 0.46 -2.46 -0.03 0.00 -0.02 0.00 0.00 39.34 37.29 3f1h n TYR 55 CO 0.00 0.00 0.00 -1.35 -1.01 0.00 0.00 176.86 174.50 3f1h h PRO 56 N 1.33 -0.44 -6.50 -0.72 0.11 -1.93 -3.44 132.00 120.42 3f1h h PRO 56 Ca 0.00 0.03 -0.53 0.00 0.11 0.00 0.00 66.00 65.61 3f1h h PRO 56 Cb 0.00 0.10 -0.03 0.00 0.11 0.00 0.00 31.00 31.18 3f1h h PRO 56 CO 0.00 -0.29 0.02 -0.65 -0.21 0.00 0.00 178.00 176.87 3f1h s GLN 57 N -3.64 4.08 0.00 1.05 -1.52 -1.26 -4.80 119.66 113.57 3f1h s GLN 57 Ca -0.07 0.66 0.00 0.00 -1.95 0.00 0.00 55.36 54.00 3f1h s GLN 57 Cb 0.01 -2.81 0.00 0.00 -0.22 0.00 0.00 33.01 29.99 3f1h s GLN 57 CO 0.20 0.38 0.00 0.41 -0.25 0.00 0.00 175.29 176.03 3f1h n GLY 58 N 0.52 1.00 0.00 3.09 0.00 -1.25 -5.02 105.19 103.53 3f1h n GLY 58 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.00 3f1h n GLY 58 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3f1h n GLY 59 N 0.00 1.18 0.83 -0.02 0.00 -1.16 -4.73 105.19 101.27 3f1h n GLY 59 Ca 0.00 -1.56 0.04 0.00 0.00 0.00 0.00 46.02 44.49 3f1h n GLY 59 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 3f1h n PHE 60 N 1.38 0.63 -0.79 1.61 7.35 -1.26 -4.60 117.46 121.77 3f1h n PHE 60 Ca 0.00 -0.24 -0.30 0.00 -0.76 0.00 0.00 57.45 56.15 3f1h n PHE 60 Cb 0.00 -0.15 -0.03 0.00 0.35 0.00 0.00 39.48 39.65 3f1h n PHE 60 CO 0.00 0.00 0.00 -0.89 -0.76 0.00 0.00 176.76 175.11 3f1h n ILE 61 N 0.29 0.34 1.35 -2.13 5.41 -1.26 -3.73 119.36 119.64 3f1h n ILE 61 Ca 0.10 -0.09 0.12 0.00 1.00 0.00 0.00 62.75 63.89 3f1h n ILE 61 Cb 0.46 0.00 0.44 0.00 -0.71 0.00 0.00 39.64 39.83 3f1h n ILE 61 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 176.55 174.71 3f1h n GLU 62 N 0.72 1.68 -0.63 0.38 0.28 -1.26 -2.25 120.64 119.56 3f1h n GLU 62 Ca 0.10 -1.01 -0.23 0.00 -0.16 0.00 0.00 57.16 55.87 3f1h n GLU 62 Cb 0.07 -1.43 0.02 0.00 1.43 0.00 0.00 31.44 31.54 3f1h n GLU 62 CO 0.00 0.00 0.00 0.36 -0.16 0.00 0.00 177.13 177.33 3f1h n LYS 63 N 0.22 0.00 -2.28 3.44 2.85 -1.25 -1.96 118.16 119.17 3f1h n LYS 63 Ca 0.17 0.00 -0.42 0.00 -1.05 0.00 0.00 58.31 57.01 3f1h n LYS 63 Cb 0.33 -0.63 -0.03 0.00 -0.65 0.00 0.00 35.03 34.05 3f1h n LYS 63 CO 0.00 0.00 0.00 -1.21 -0.05 0.00 0.00 177.40 176.14 3f1h s GLU 64 N -1.26 4.39 -0.07 -1.58 8.01 -1.26 -3.12 118.70 123.81 3f1h s GLU 64 Ca 0.25 1.95 -0.22 0.00 0.01 0.00 0.00 54.97 56.95 3f1h s GLU 64 Cb -0.10 -3.27 -0.04 0.00 -4.31 0.00 0.00 34.13 26.41 3f1h s GLU 64 CO 0.51 -0.31 0.66 0.00 0.01 0.00 0.00 175.26 176.14 3f1h s ALA 65 N 0.80 3.37 -0.25 5.21 0.00 0.14 -4.94 121.76 126.08 3f1h s ALA 65 Ca 0.60 0.08 -0.43 0.00 0.00 0.00 0.00 51.96 52.21 3f1h s ALA 65 Cb -0.34 -2.90 -0.19 0.00 0.00 0.00 0.00 23.12 19.69 3f1h s ALA 65 CO 0.32 -0.07 1.39 -2.30 0.00 0.00 0.00 175.76 175.10 3f1h n PRO 66 N 3.68 0.17 -3.73 0.00 -0.02 -1.26 -4.63 135.00 129.21 3f1h n PRO 66 Ca -0.02 0.06 -0.36 0.00 -2.02 0.00 0.00 63.50 61.15 3f1h n PRO 66 Cb 0.51 -1.58 -0.07 0.00 -0.02 0.00 0.00 33.50 32.34 3f1h n PRO 66 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 3f1h s LEU 67 N 1.71 4.30 0.15 2.45 2.96 0.14 -4.87 118.68 125.51 3f1h s LEU 67 Ca 0.98 0.41 -0.32 0.00 -0.22 0.00 0.00 54.13 54.98 3f1h s LEU 67 Cb -1.34 -2.17 -0.12 0.00 0.50 0.00 0.00 46.19 43.06 3f1h s LEU 67 CO 0.69 0.25 1.75 1.57 -1.32 0.00 0.00 176.35 179.29 3f1h n HIS 68 N 2.88 2.58 0.03 5.38 -0.00 -1.26 0.52 115.22 125.36 3f1h n HIS 68 Ca -0.16 0.00 0.02 0.00 -0.00 0.00 0.00 57.72 57.58 3f1h n HIS 68 Cb 0.53 -2.67 0.11 0.00 -0.00 0.00 0.00 29.99 27.96 3f1h n HIS 68 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 3f1h n ALA 69 N 4.72 0.96 1.20 1.57 0.00 -0.75 -0.95 120.51 127.26 3f1h n ALA 69 Ca 0.17 0.04 0.13 0.00 0.00 0.00 0.00 53.44 53.78 3f1h n ALA 69 Cb 0.34 -1.01 0.28 0.00 0.00 0.00 0.00 19.45 19.06 3f1h n ALA 69 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3f1h n SER 70 N -1.63 1.46 -1.76 0.00 2.88 -1.26 -3.75 113.62 109.56 3f1h n SER 70 Ca -0.00 -1.19 -0.09 0.00 -1.33 0.00 0.00 58.87 56.25 3f1h n SER 70 Cb 0.03 0.20 0.24 0.00 -0.75 0.00 0.00 64.21 63.93 3f1h n SER 70 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 3f1h n LYS 71 N -0.27 2.77 -3.74 -1.46 5.02 -0.13 -4.92 118.16 115.44 3f1h n LYS 71 Ca 0.12 -3.07 -0.14 0.00 -2.02 0.00 0.00 58.31 53.21 3f1h n LYS 71 Cb 0.39 -2.07 -0.14 0.00 -0.02 0.00 0.00 35.03 33.19 3f1h n LYS 71 CO 0.00 0.00 0.00 0.14 -0.52 0.00 0.00 177.40 177.02 3f1h s VAL 72 N -3.13 -0.07 -0.04 -0.18 -7.23 -1.25 -2.35 120.40 106.15 3f1h s VAL 72 Ca 0.52 0.19 0.06 0.00 -1.81 0.00 0.00 61.98 60.95 3f1h s VAL 72 Cb 0.43 -0.27 -0.01 0.00 0.56 0.00 0.00 36.38 37.09 3f1h s VAL 72 CO 0.09 0.08 -0.24 -0.13 -0.31 0.00 0.00 175.10 174.59 3f1h s ARG 73 N 1.30 2.30 1.04 4.82 0.52 0.37 -4.91 118.95 124.38 3f1h s ARG 73 Ca -0.08 -0.87 -0.12 0.00 -0.52 0.00 0.00 55.73 54.14 3f1h s ARG 73 Cb -0.11 -2.03 0.21 0.00 0.52 0.00 0.00 34.95 33.54 3f1h s ARG 73 CO -0.06 0.42 1.07 -1.25 0.02 0.00 0.00 175.30 175.50 3f1h s PRO 74 N -0.29 0.05 -0.19 3.54 0.04 -1.26 1.00 135.00 137.89 3f1h s PRO 74 Ca 0.01 0.88 -0.20 0.00 0.04 0.00 0.00 61.00 61.73 3f1h s PRO 74 Cb -0.12 -1.66 0.05 0.00 0.04 0.00 0.00 34.50 32.81 3f1h s PRO 74 CO 0.02 -3.09 0.57 -1.50 0.04 0.00 0.00 177.00 173.04 3f1h s ILE 75 N -2.68 0.00 -0.18 0.56 -1.16 -1.23 -3.76 121.20 112.74 3f1h s ILE 75 Ca 0.67 -0.02 -0.28 0.00 -0.51 0.00 0.00 60.65 60.50 3f1h s ILE 75 Cb -0.22 -0.80 0.10 0.00 0.61 0.00 0.00 42.46 42.14 3f1h s ILE 75 CO 0.61 -0.01 0.85 0.00 -2.81 0.00 0.00 174.94 173.57 3f1h n PRO 77 N 1.61 -0.79 0.00 0.00 -0.02 -1.26 -4.54 135.00 130.00 3f1h n PRO 77 Ca -0.14 -0.03 0.00 0.00 -2.02 0.00 0.00 63.50 61.31 3f1h n PRO 77 Cb 0.56 0.05 0.00 0.00 -0.02 0.00 0.00 33.50 34.09 3f1h n PRO 77 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3f1h n ALA 78 N -0.78 0.00 -1.75 3.55 0.00 -1.26 -5.02 120.51 115.25 3f1h n ALA 78 Ca 0.00 0.00 0.04 0.00 0.00 0.00 0.00 53.44 53.48 3f1h n ALA 78 Cb 0.00 0.00 0.07 0.00 0.00 0.00 0.00 19.45 19.52 3f1h n ALA 78 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3f1h n GLY 80 N -0.48 -3.38 3.67 0.00 0.00 -1.26 -4.93 105.19 98.81 3f1h n GLY 80 Ca 0.08 -0.56 -0.23 0.00 0.00 0.00 0.00 46.02 45.30 3f1h n GLY 80 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3f1h s LYS 81 N -2.10 2.34 0.91 1.61 1.02 -1.25 -4.92 119.74 117.36 3f1h s LYS 81 Ca 0.00 -1.43 -0.11 0.00 0.02 0.00 0.00 55.97 54.45 3f1h s LYS 81 Cb 0.00 -2.18 0.13 0.00 -0.52 0.00 0.00 37.83 35.26 3f1h s LYS 81 CO 0.00 0.31 1.10 -2.30 -0.92 0.00 0.00 175.35 173.54 3f1h n PRO 82 N -0.96 -0.37 -3.38 -1.68 -0.02 -1.26 -4.66 135.00 122.68 3f1h n PRO 82 Ca -0.06 -0.04 -0.39 0.00 -2.02 0.00 0.00 63.50 60.99 3f1h n PRO 82 Cb 0.59 -2.34 -0.09 0.00 -0.02 0.00 0.00 33.50 31.64 3f1h n PRO 82 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 3f1h s THR 83 N -2.55 5.17 0.62 3.45 2.01 -1.26 -2.52 115.64 120.56 3f1h s THR 83 Ca 0.67 0.58 0.02 0.00 0.31 0.00 0.00 61.69 63.26 3f1h s THR 83 Cb -0.24 -3.71 0.08 0.00 0.01 0.00 0.00 72.50 68.64 3f1h s THR 83 CO 0.58 0.15 0.87 -0.13 -0.69 0.00 0.00 174.62 175.39 3f1h s ARG 84 N 2.09 2.14 -0.22 4.92 0.52 0.17 -5.01 118.95 123.56 3f1h s ARG 84 Ca 0.15 -1.05 -0.04 0.00 -0.52 0.00 0.00 55.73 54.27 3f1h s ARG 84 Cb -0.16 -2.45 0.07 0.00 0.52 0.00 0.00 34.95 32.94 3f1h s ARG 84 CO 0.10 -1.04 0.08 0.14 0.02 0.00 0.00 175.30 174.60 3f1h s VAL 85 N -2.90 0.18 -0.21 3.52 -7.23 -1.26 -2.33 120.40 110.17 3f1h s VAL 85 Ca 0.62 -0.53 -0.07 0.00 -1.81 0.00 0.00 61.98 60.19 3f1h s VAL 85 Cb -0.08 -0.90 -0.04 0.00 0.56 0.00 0.00 36.38 35.93 3f1h s VAL 85 CO 0.41 -0.40 0.06 -0.60 -0.31 0.00 0.00 175.10 174.26 3f1h s ARG 86 N 2.00 3.83 0.11 4.82 3.52 -1.15 -4.93 118.95 127.15 3f1h s ARG 86 Ca 0.03 -0.41 -0.28 0.00 -0.13 0.00 0.00 55.73 54.95 3f1h s ARG 86 Cb -0.16 -3.24 -0.06 0.00 -1.56 0.00 0.00 34.95 29.92 3f1h s ARG 86 CO -0.17 0.09 0.88 -1.59 -0.81 0.00 0.00 175.30 173.70 3f1h s LYS 87 N 0.87 4.64 0.00 5.12 -2.85 -1.26 -2.78 119.74 123.47 3f1h s LYS 87 Ca 0.03 1.31 0.00 0.00 -1.00 0.00 0.00 55.97 56.31 3f1h s LYS 87 Cb -0.14 -3.35 0.00 0.00 -2.06 0.00 0.00 37.83 32.28 3f1h s LYS 87 CO 0.02 0.31 0.00 1.63 0.10 0.00 0.00 175.35 177.41 3f1h n LYS 88 N 2.52 2.66 -1.10 1.78 4.76 -0.87 -4.89 118.16 123.02 3f1h n LYS 88 Ca -0.00 0.00 -0.13 0.00 -2.87 0.00 0.00 58.31 55.30 3f1h n LYS 88 Cb 0.49 0.00 0.25 0.00 -1.84 0.00 0.00 35.03 33.93 3f1h n LYS 88 CO 0.00 0.00 0.00 1.19 -1.37 0.00 0.00 177.40 177.22 3f1h n PHE 89 N 0.00 2.69 0.10 2.13 3.01 -1.26 -4.62 117.46 119.51 3f1h n PHE 89 Ca 0.00 -1.45 0.00 0.00 1.01 0.00 0.00 57.45 57.01 3f1h n PHE 89 Cb 0.00 -0.79 0.00 0.00 -0.01 0.00 0.00 39.48 38.68 3f1h n PHE 89 CO 0.00 0.00 0.00 1.47 1.01 0.00 0.00 176.76 179.24 3f1h n LEU 90 N -0.54 -1.75 0.00 4.37 -0.00 -1.26 -5.15 117.00 112.67 3f1h n LEU 90 Ca 0.48 0.47 0.00 0.00 -0.00 0.00 0.00 56.01 56.97 3f1h n LEU 90 Cb 1.50 1.85 0.00 0.00 -0.00 0.00 0.00 43.42 46.76 3f1h n LEU 90 CO 0.50 0.00 0.00 -0.62 -0.00 0.00 0.00 177.39 177.28 3f1h n GLU 91 N -2.85 3.14 -3.63 1.47 1.02 -1.26 -5.17 120.64 113.36 3f1h n GLU 91 Ca 0.00 0.00 -0.11 0.00 -0.02 0.00 0.00 57.16 57.03 3f1h n GLU 91 Cb 0.00 0.00 -0.07 0.00 -0.02 0.00 0.00 31.44 31.35 3f1h n GLU 91 CO 0.00 0.00 0.00 1.21 1.18 0.00 0.00 177.13 179.52 3f1h s ASN 92 N -0.24 -0.52 -0.01 1.62 2.47 -1.26 -2.04 114.94 114.97 3f1h s ASN 92 Ca 0.00 0.98 -0.19 0.00 0.42 0.00 0.00 52.86 54.07 3f1h s ASN 92 Cb 0.00 0.98 0.04 0.00 -1.45 0.00 0.00 41.25 40.82 3f1h s ASN 92 CO 0.00 -0.19 0.41 -0.83 -3.72 0.00 0.00 177.10 172.77 3f1h s GLY 93 N 0.17 -0.27 -0.43 1.21 0.00 -1.12 -4.92 107.32 101.96 3f1h s GLY 93 Ca 0.02 0.51 -0.29 0.00 0.00 0.00 0.00 44.72 44.97 3f1h s GLY 93 CO -0.04 0.26 1.26 -1.59 0.00 0.00 0.00 173.10 173.00 3f1h s LYS 94 N -1.60 3.68 -0.04 2.90 -2.85 -1.26 -2.94 119.74 117.63 3f1h s LYS 94 Ca -0.11 0.78 -0.24 0.00 -1.00 0.00 0.00 55.97 55.41 3f1h s LYS 94 Cb -0.03 -3.95 -0.04 0.00 -2.06 0.00 0.00 37.83 31.75 3f1h s LYS 94 CO 0.04 -1.43 0.71 0.15 0.10 0.00 0.00 175.35 174.91 3f1h s LYS 95 N 4.62 4.44 0.00 1.78 1.02 -0.99 -2.45 119.74 128.16 3f1h s LYS 95 Ca 0.54 0.91 0.00 0.00 0.02 0.00 0.00 55.97 57.45 3f1h s LYS 95 Cb -0.11 -3.42 0.00 0.00 -0.52 0.00 0.00 37.83 33.79 3f1h s LYS 95 CO 0.31 0.14 0.00 0.44 -0.92 0.00 0.00 175.35 175.32 3f1h n ILE 96 N 3.47 0.00 0.28 2.17 -5.35 0.34 -0.65 119.36 119.61 3f1h n ILE 96 Ca -0.02 0.00 0.05 0.00 -0.27 0.00 0.00 62.75 62.51 3f1h n ILE 96 Cb 0.51 -0.29 0.23 0.00 -1.74 0.00 0.00 39.64 38.35 3f1h n ILE 96 CO 0.00 0.00 0.00 -1.14 -1.76 0.00 0.00 176.55 173.65 3f1h n ARG 97 N -0.37 0.03 0.00 6.28 0.00 -1.05 -4.12 116.66 117.43 3f1h n ARG 97 Ca 0.00 0.39 0.00 0.00 -0.00 0.00 0.00 57.85 58.24 3f1h n ARG 97 Cb 0.00 -1.56 0.00 0.00 0.00 0.00 0.00 32.46 30.90 3f1h n ARG 97 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.63 179.18 3f1h n VAL 98 N -1.62 0.00 -4.54 5.15 3.14 -1.26 -5.07 118.33 114.13 3f1h n VAL 98 Ca 0.02 0.00 -0.27 0.00 -2.96 0.00 0.00 64.34 61.13 3f1h n VAL 98 Cb 0.10 0.06 -0.07 0.00 -1.06 0.00 0.00 33.84 32.87 3f1h n VAL 98 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 3f1h s ALA 100 N -3.13 2.62 0.00 0.00 0.00 -1.26 0.13 121.76 120.12 3f1h s ALA 100 Ca 0.20 -1.01 0.00 0.00 0.00 0.00 0.00 51.96 51.15 3f1h s ALA 100 Cb 0.01 -2.76 0.00 0.00 0.00 0.00 0.00 23.12 20.37 3f1h s ALA 100 CO 0.14 -1.94 0.00 1.17 0.00 0.00 0.00 175.76 175.13