#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1f5c s PHE 2 N 0.00 3.33 -0.02 0.00 0.40 -1.26 -0.99 117.98 119.43 1f5c s PHE 2 Ca 0.00 0.05 0.03 0.00 -0.60 0.00 0.00 56.93 56.41 1f5c s PHE 2 Cb 0.00 -1.59 -0.00 0.00 0.51 0.00 0.00 43.02 41.94 1f5c s PHE 2 CO 0.00 0.52 -0.10 0.08 0.70 0.00 0.00 175.22 176.41 1f5c s VAL 3 N -1.76 0.87 -0.11 -0.44 1.01 0.15 -4.71 120.40 115.41 1f5c s VAL 3 Ca 0.33 -0.43 -0.21 0.00 0.00 0.00 0.00 61.98 61.68 1f5c s VAL 3 Cb -0.10 -0.76 -0.04 0.00 0.00 0.00 0.00 36.38 35.48 1f5c s VAL 3 CO 0.26 0.26 0.59 -0.69 0.00 0.00 0.00 175.10 175.52 1f5c s VAL 4 N 0.05 5.11 0.00 2.92 1.01 -1.26 -1.67 120.40 126.55 1f5c s VAL 4 Ca -0.01 1.17 0.00 0.00 0.00 0.00 0.00 61.98 63.14 1f5c s VAL 4 Cb -0.08 -3.92 0.00 0.00 0.00 0.00 0.00 36.38 32.38 1f5c s VAL 4 CO 0.00 0.26 0.00 0.35 0.00 0.00 0.00 175.10 175.71 1f5c n THR 5 N 3.91 0.00 -0.34 3.92 -2.24 0.99 -4.87 114.28 115.65 1f5c n THR 5 Ca -0.04 0.00 0.04 0.00 -2.27 0.00 0.00 64.05 61.78 1f5c n THR 5 Cb 0.51 -0.56 0.11 0.00 -2.10 0.00 0.00 70.33 68.29 1f5c n THR 5 CO 0.00 0.00 0.00 -0.78 -0.57 0.00 0.00 175.07 173.72 1f5c h ASP 6 N 0.00 -0.96 0.09 3.42 3.58 -1.93 -2.69 116.42 117.93 1f5c h ASP 6 Ca 0.00 0.28 0.00 0.00 0.42 0.00 0.00 57.03 57.73 1f5c h ASP 6 Cb 0.00 0.61 0.00 0.00 1.72 0.00 0.00 39.33 41.66 1f5c h ASP 6 CO 0.00 -0.31 0.00 -3.20 -2.88 0.00 0.00 179.24 172.85 1f5c n ASN 7 N -5.58 0.03 0.03 2.28 5.15 -1.26 -1.81 115.26 114.11 1f5c n ASN 7 Ca 0.14 0.51 -0.11 0.00 -0.60 0.00 0.00 54.58 54.52 1f5c n ASN 7 Cb 0.46 -0.52 0.01 0.00 -0.53 0.00 0.00 39.78 39.20 1f5c n ASN 7 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1f5c n ILE 9 N -3.86 0.11 -0.83 0.00 5.41 -0.75 -0.59 119.36 118.84 1f5c n ILE 9 Ca -0.05 -0.03 0.00 0.00 1.00 0.00 0.00 62.75 63.67 1f5c n ILE 9 Cb 0.71 -1.46 0.00 0.00 -0.71 0.00 0.00 39.64 38.18 1f5c n ILE 9 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 176.55 176.84 1f5c n LYS 10 N 3.16 0.00 0.01 0.38 4.76 -0.51 -4.76 118.16 121.20 1f5c n LYS 10 Ca 0.16 0.00 -0.01 0.00 -2.87 0.00 0.00 58.31 55.59 1f5c n LYS 10 Cb 0.28 -3.00 -0.00 0.00 -1.84 0.00 0.00 35.03 30.47 1f5c n LYS 10 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1f5c n LYS 12 N -3.09 -0.84 0.13 0.00 4.81 0.24 -1.45 118.16 117.97 1f5c n LYS 12 Ca -0.02 0.40 0.01 0.00 -0.87 0.00 0.00 58.31 57.84 1f5c n LYS 12 Cb 0.06 -2.97 0.35 0.00 0.02 0.00 0.00 35.03 32.50 1f5c n LYS 12 CO 0.00 0.00 0.00 1.88 1.17 0.00 0.00 177.40 180.45 1f5c h TYR 13 N -1.73 0.19 -0.44 5.64 0.05 -1.91 -3.32 116.97 115.45 1f5c h TYR 13 Ca -0.65 -0.03 -0.19 0.00 0.05 0.00 0.00 58.73 57.91 1f5c h TYR 13 Cb 1.38 -0.05 -0.08 0.00 1.01 0.00 0.00 36.73 38.99 1f5c h TYR 13 CO 0.32 0.42 -0.17 0.25 -1.05 0.00 0.00 178.16 177.93 1f5c n THR 14 N -4.17 0.00 0.75 -2.88 -2.24 -1.26 -4.21 114.28 100.27 1f5c n THR 14 Ca -0.01 0.00 0.09 0.00 -2.27 0.00 0.00 64.05 61.86 1f5c n THR 14 Cb 0.35 -1.22 0.43 0.00 -2.10 0.00 0.00 70.33 67.79 1f5c n THR 14 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1f5c n ASP 15 N -0.39 0.00 0.08 3.42 8.00 -1.26 -2.80 116.55 123.61 1f5c n ASP 15 Ca -0.09 0.27 0.12 0.00 0.71 0.00 0.00 54.79 55.80 1f5c n ASP 15 Cb 0.42 -0.40 0.18 0.00 -0.02 0.00 0.00 41.12 41.30 1f5c n ASP 15 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1f5c h VAL 17 N 0.00 1.52 -0.58 0.00 -1.51 -1.90 -3.30 116.25 110.48 1f5c h VAL 17 Ca 0.00 -3.07 -0.02 0.00 -1.23 0.00 0.00 66.70 62.38 1f5c h VAL 17 Cb 0.79 2.90 -0.03 0.00 -2.13 0.00 0.00 31.29 32.83 1f5c h VAL 17 CO 0.00 0.89 0.27 -0.33 -1.23 0.00 0.00 177.57 177.17 1f5c h GLU 18 N 0.07 0.83 -0.00 5.19 4.39 -1.76 -2.77 114.58 120.54 1f5c h GLU 18 Ca -0.12 -0.11 0.00 0.00 0.34 0.00 0.00 59.36 59.47 1f5c h GLU 18 Cb 1.92 -0.16 0.00 0.00 -0.10 0.00 0.00 28.75 30.41 1f5c h GLU 18 CO 0.19 0.66 -0.34 1.55 -1.16 0.00 0.00 179.01 179.91 1f5c n VAL 19 N -4.35 0.00 -2.20 3.13 3.14 -1.26 -4.85 118.33 111.95 1f5c n VAL 19 Ca 0.05 -0.00 -0.43 0.00 -2.96 0.00 0.00 64.34 61.00 1f5c n VAL 19 Cb 0.14 0.02 -0.02 0.00 -1.06 0.00 0.00 33.84 32.91 1f5c n VAL 19 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1f5c h PRO 21 N 9.90 0.00 -0.08 0.00 0.13 -1.88 -3.30 132.00 136.77 1f5c h PRO 21 Ca -0.32 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.81 1f5c h PRO 21 Cb 1.14 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.27 1f5c h PRO 21 CO 0.99 0.00 0.00 1.33 -0.23 0.00 0.00 178.00 180.09 1f5c n VAL 22 N -2.56 1.22 -3.98 1.56 0.24 -1.26 -5.03 118.33 108.52 1f5c n VAL 22 Ca 0.03 -1.26 -0.42 0.00 -2.04 0.00 0.00 64.34 60.65 1f5c n VAL 22 Cb 0.34 0.34 0.02 0.00 -1.47 0.00 0.00 33.84 33.07 1f5c n VAL 22 CO 0.00 0.00 0.00 0.47 -2.14 0.00 0.00 176.83 175.16 1f5c n ASP 23 N -0.46 -4.31 -1.57 -1.34 8.00 -1.24 -4.88 116.55 110.75 1f5c n ASP 23 Ca 0.06 -1.22 -0.06 0.00 0.71 0.00 0.00 54.79 54.28 1f5c n ASP 23 Cb 0.38 -2.14 0.25 0.00 -0.02 0.00 0.00 41.12 39.59 1f5c n ASP 23 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1f5c s HIS 25 N -3.09 3.53 -0.02 0.00 3.76 -1.26 -0.84 115.29 117.37 1f5c s HIS 25 Ca 0.50 0.39 0.03 0.00 -0.15 0.00 0.00 55.06 55.83 1f5c s HIS 25 Cb 0.42 -1.86 0.00 0.00 1.11 0.00 0.00 32.58 32.25 1f5c s HIS 25 CO 0.08 0.66 -0.09 0.71 -0.85 0.00 0.00 174.74 175.25 1f5c s TYR 26 N -1.20 0.95 0.07 1.40 1.51 -0.47 -1.54 117.35 118.06 1f5c s TYR 26 Ca 0.22 -0.22 0.05 0.00 -1.01 0.00 0.00 57.07 56.11 1f5c s TYR 26 Cb -0.12 -0.66 -0.04 0.00 -0.11 0.00 0.00 41.96 41.03 1f5c s TYR 26 CO 0.13 -0.08 -0.05 -1.83 -1.11 0.00 0.00 175.55 172.61 1f5c s GLU 27 N 0.09 2.40 0.49 -0.62 -1.05 -0.10 -0.85 118.70 119.06 1f5c s GLU 27 Ca -0.01 -0.88 0.03 0.00 -0.15 0.00 0.00 54.97 53.96 1f5c s GLU 27 Cb -0.07 -2.45 -0.02 0.00 -0.44 0.00 0.00 34.13 31.15 1f5c s GLU 27 CO 0.00 0.54 0.08 0.20 0.95 0.00 0.00 175.26 177.04 1f5c s GLY 28 N -2.06 2.79 0.35 -3.83 0.00 0.59 -3.99 107.32 101.18 1f5c s GLY 28 Ca 0.22 -0.94 0.10 0.00 0.00 0.00 0.00 44.72 44.10 1f5c s GLY 28 CO 0.14 -2.12 1.83 -2.55 0.00 0.00 0.00 173.10 170.40 1f5c h PRO 29 N 1.33 0.62 0.00 2.90 0.11 -1.84 -3.25 132.00 131.87 1f5c h PRO 29 Ca -0.43 -0.04 -0.17 0.00 0.11 0.00 0.00 66.00 65.47 1f5c h PRO 29 Cb 1.30 -0.14 -0.37 0.00 0.11 0.00 0.00 31.00 31.90 1f5c h PRO 29 CO 0.72 0.41 -0.99 0.27 -0.21 0.00 0.00 178.00 178.20 1f5c n ASN 30 N -4.62 0.89 -3.49 -2.05 0.23 -1.26 -5.04 115.26 99.93 1f5c n ASN 30 Ca 0.20 -2.00 -0.10 0.00 -0.53 0.00 0.00 54.58 52.15 1f5c n ASN 30 Cb 0.58 -0.28 -0.02 0.00 -2.08 0.00 0.00 39.78 37.98 1f5c n ASN 30 CO 0.00 0.00 0.00 0.12 -0.93 0.00 0.00 177.26 176.45 1f5c s PHE 31 N 0.00 -0.45 0.05 -2.53 5.36 -1.23 -1.43 117.98 117.74 1f5c s PHE 31 Ca 0.31 0.23 0.03 0.00 -0.96 0.00 0.00 56.93 56.54 1f5c s PHE 31 Cb 0.36 0.57 -0.02 0.00 -0.34 0.00 0.00 43.02 43.59 1f5c s PHE 31 CO -0.16 -0.83 -0.09 -0.51 -1.46 0.00 0.00 175.22 172.17 1f5c s LEU 32 N -2.72 2.25 0.17 6.12 1.02 -1.26 -0.30 118.68 123.96 1f5c s LEU 32 Ca 0.03 -0.55 0.04 0.00 0.02 0.00 0.00 54.13 53.66 1f5c s LEU 32 Cb -0.02 -0.25 -0.05 0.00 0.02 0.00 0.00 46.19 45.90 1f5c s LEU 32 CO -0.10 -0.17 -0.06 0.68 0.02 0.00 0.00 176.35 176.73 1f5c s VAL 33 N -1.32 1.03 -0.16 -1.59 -7.23 -0.03 -4.76 120.40 106.33 1f5c s VAL 33 Ca -0.08 -2.03 -0.03 0.00 -1.81 0.00 0.00 61.98 58.03 1f5c s VAL 33 Cb -0.10 -2.02 -0.02 0.00 0.56 0.00 0.00 36.38 34.80 1f5c s VAL 33 CO 0.01 -0.59 -0.06 -0.63 -0.31 0.00 0.00 175.10 173.52 1f5c s ILE 34 N -3.42 3.65 -0.32 -0.62 1.01 -1.26 -1.37 121.20 118.87 1f5c s ILE 34 Ca 0.21 -0.44 -0.29 0.00 0.00 0.00 0.00 60.65 60.13 1f5c s ILE 34 Cb 0.04 -2.60 0.00 0.00 0.01 0.00 0.00 42.46 39.92 1f5c s ILE 34 CO 0.03 0.49 1.31 -2.28 0.00 0.00 0.00 174.94 174.49 1f5c s HIS 35 N 0.53 2.65 0.42 3.97 5.65 -0.02 -4.45 115.29 124.04 1f5c s HIS 35 Ca -0.04 0.84 0.10 0.00 0.25 0.00 0.00 55.06 56.21 1f5c s HIS 35 Cb -0.15 -3.97 0.93 0.00 -1.18 0.00 0.00 32.58 28.22 1f5c s HIS 35 CO 0.03 -1.73 2.00 -1.00 -0.65 0.00 0.00 174.74 173.39 1f5c h PRO 36 N 9.46 0.49 0.00 2.88 0.13 -1.88 -1.12 132.00 141.97 1f5c h PRO 36 Ca -0.26 -0.03 -0.12 0.00 -0.87 0.00 0.00 66.00 64.72 1f5c h PRO 36 Cb 1.10 -0.11 -0.02 0.00 0.13 0.00 0.00 31.00 32.10 1f5c h PRO 36 CO 1.04 0.32 -0.58 -0.44 -0.23 0.00 0.00 178.00 178.12 1f5c h ASP 37 N 0.50 0.00 0.57 1.44 3.32 -1.99 -3.31 116.42 116.95 1f5c h ASP 37 Ca 0.24 0.00 -0.20 0.00 0.02 0.00 0.00 57.03 57.09 1f5c h ASP 37 Cb 0.30 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 39.81 1f5c h ASP 37 CO -0.07 0.58 -1.58 -0.62 -1.72 0.00 0.00 179.24 175.84 1f5c n GLU 38 N -3.27 0.63 -1.89 3.56 1.02 -1.04 -4.90 120.64 114.76 1f5c n GLU 38 Ca 0.02 0.20 -0.42 0.00 -0.02 0.00 0.00 57.16 56.93 1f5c n GLU 38 Cb 0.76 -1.77 -0.03 0.00 -0.02 0.00 0.00 31.44 30.38 1f5c n GLU 38 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1f5c n ILE 40 N 3.63 1.21 -3.02 0.00 -5.35 -1.26 -4.80 119.36 109.77 1f5c n ILE 40 Ca 0.13 -1.03 -0.22 0.00 -0.27 0.00 0.00 62.75 61.36 1f5c n ILE 40 Cb 0.38 0.38 0.03 0.00 -1.74 0.00 0.00 39.64 38.69 1f5c n ILE 40 CO 0.00 0.00 0.00 0.47 -1.76 0.00 0.00 176.55 175.26 1f5c n ASP 41 N 1.49 -5.81 0.12 7.28 8.00 -1.26 -4.87 116.55 121.50 1f5c n ASP 41 Ca 0.25 -0.28 0.12 0.00 0.71 0.00 0.00 54.79 55.59 1f5c n ASP 41 Cb 0.69 -4.71 0.47 0.00 -0.02 0.00 0.00 41.12 37.55 1f5c n ASP 41 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1f5c n ALA 43 N -1.76 0.00 0.27 0.00 0.00 -1.26 -4.87 120.51 112.90 1f5c n ALA 43 Ca 0.03 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.59 1f5c n ALA 43 Cb 0.25 -0.79 0.74 0.00 0.00 0.00 0.00 19.45 19.66 1f5c n ALA 43 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1f5c h LEU 44 N 0.00 0.00 0.00 0.00 4.07 -1.92 -3.01 115.31 114.45 1f5c h LEU 44 Ca 0.00 0.00 -0.10 0.00 0.08 0.00 0.00 57.88 57.86 1f5c h LEU 44 Cb 0.12 0.00 -0.02 0.00 1.08 0.00 0.00 40.66 41.85 1f5c h LEU 44 CO 0.00 0.09 -0.66 0.00 -1.08 0.00 0.00 178.44 176.78 1f5c h GLU 46 N 0.00 0.16 0.00 0.00 4.81 -1.87 -1.87 114.58 115.81 1f5c h GLU 46 Ca -0.03 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.19 1f5c h GLU 46 Cb 1.38 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 30.72 1f5c h GLU 46 CO 0.05 0.11 0.00 -0.35 -0.73 0.00 0.00 179.01 178.09 1f5c n PRO 47 N -5.15 0.34 0.09 0.92 -0.04 -1.26 -3.44 135.00 126.46 1f5c n PRO 47 Ca 0.04 0.02 0.12 0.00 -0.04 0.00 0.00 63.50 63.65 1f5c n PRO 47 Cb 0.23 -1.50 0.19 0.00 -0.04 0.00 0.00 33.50 32.38 1f5c n PRO 47 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 1f5c h GLU 48 N 0.00 0.00 -6.40 0.54 4.39 -1.55 -3.45 114.58 108.11 1f5c h GLU 48 Ca 0.00 0.00 -0.58 0.00 0.34 0.00 0.00 59.36 59.12 1f5c h GLU 48 Cb 0.29 0.00 -0.08 0.00 -0.10 0.00 0.00 28.75 28.86 1f5c h GLU 48 CO 0.00 0.00 0.78 0.00 -1.16 0.00 0.00 179.01 178.63 1f5c h PRO 50 N 8.85 0.00 -0.00 0.00 0.11 -1.92 0.29 132.00 139.33 1f5c h PRO 50 Ca -0.23 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.88 1f5c h PRO 50 Cb 1.07 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.18 1f5c h PRO 50 CO 1.06 0.00 -0.07 0.00 -0.21 0.00 0.00 178.00 178.78 1f5c n ALA 51 N -2.46 2.67 -4.13 -0.75 0.00 -1.26 -4.91 120.51 109.67 1f5c n ALA 51 Ca -0.02 -0.23 -0.32 0.00 0.00 0.00 0.00 53.44 52.87 1f5c n ALA 51 Cb 0.11 -1.39 -0.03 0.00 0.00 0.00 0.00 19.45 18.14 1f5c n ALA 51 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1f5c n GLN 52 N -1.05 -3.11 0.00 0.00 6.02 0.09 -4.84 117.38 114.49 1f5c n GLN 52 Ca 0.15 0.37 0.11 0.00 -0.01 0.00 0.00 57.00 57.62 1f5c n GLN 52 Cb 0.26 -4.82 0.09 0.00 1.02 0.00 0.00 30.24 26.79 1f5c n GLN 52 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1f5c n ALA 53 N -4.41 3.56 -2.73 -1.58 0.00 -1.26 -4.93 120.51 109.17 1f5c n ALA 53 Ca -0.08 -0.57 -0.37 0.00 0.00 0.00 0.00 53.44 52.42 1f5c n ALA 53 Cb 0.57 -0.89 -0.07 0.00 0.00 0.00 0.00 19.45 19.06 1f5c n ALA 53 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1f5c s ILE 54 N -2.56 5.33 0.03 0.00 1.01 -1.26 -0.01 121.20 123.74 1f5c s ILE 54 Ca 0.19 0.46 -0.00 0.00 0.00 0.00 0.00 60.65 61.29 1f5c s ILE 54 Cb 0.18 -3.56 -0.02 0.00 0.01 0.00 0.00 42.46 39.07 1f5c s ILE 54 CO 0.59 0.50 -0.03 -0.36 0.00 0.00 0.00 174.94 175.65 1f5c s PHE 55 N -0.28 0.31 0.64 3.97 0.40 -0.67 -4.90 117.98 117.45 1f5c s PHE 55 Ca 0.16 -0.63 -0.15 0.00 -0.60 0.00 0.00 56.93 55.71 1f5c s PHE 55 Cb -0.13 -0.23 -0.01 0.00 0.51 0.00 0.00 43.02 43.16 1f5c s PHE 55 CO 0.05 -0.23 1.09 -1.54 0.70 0.00 0.00 175.22 175.29 1f5c s SER 56 N -1.74 5.37 0.22 1.36 1.04 -1.26 0.33 113.70 119.02 1f5c s SER 56 Ca -0.11 1.90 -0.08 0.00 0.48 0.00 0.00 55.95 58.14 1f5c s SER 56 Cb -0.06 -2.54 0.36 0.00 0.10 0.00 0.00 66.02 63.88 1f5c s SER 56 CO -0.03 -1.45 1.71 -0.08 0.98 0.00 0.00 173.24 174.38 1f5c h GLU 57 N 0.12 0.32 0.00 4.02 4.81 -1.39 -0.10 114.58 122.35 1f5c h GLU 57 Ca -0.47 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 58.75 1f5c h GLU 57 Cb 1.23 -0.07 0.00 0.00 0.63 0.00 0.00 28.75 30.54 1f5c h GLU 57 CO 0.55 0.21 0.00 -0.25 -0.73 0.00 0.00 179.01 178.79 1f5c n ASP 58 N -5.09 0.04 -0.40 1.04 8.00 -1.26 -2.45 116.55 116.43 1f5c n ASP 58 Ca 0.11 0.51 0.04 0.00 0.71 0.00 0.00 54.79 56.17 1f5c n ASP 58 Cb 0.36 -0.52 0.07 0.00 -0.02 0.00 0.00 41.12 41.01 1f5c n ASP 58 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1f5c n GLU 59 N -1.55 1.29 -1.84 -1.24 1.02 -0.08 -5.00 120.64 113.24 1f5c n GLU 59 Ca 0.02 -1.38 -0.42 0.00 -0.02 0.00 0.00 57.16 55.36 1f5c n GLU 59 Cb 0.11 -1.18 -0.03 0.00 -0.02 0.00 0.00 31.44 30.32 1f5c n GLU 59 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 1f5c s VAL 60 N -0.82 2.68 0.65 2.62 1.01 -1.03 -4.84 120.40 120.67 1f5c s VAL 60 Ca 0.13 0.29 -0.17 0.00 0.00 0.00 0.00 61.98 62.22 1f5c s VAL 60 Cb 0.08 -3.18 -0.06 0.00 0.00 0.00 0.00 36.38 33.22 1f5c s VAL 60 CO 0.11 0.01 0.63 -2.65 0.00 0.00 0.00 175.10 173.20 1f5c n PRO 61 N 5.13 0.49 -0.28 2.72 -0.02 -1.26 -4.81 135.00 136.97 1f5c n PRO 61 Ca 0.16 0.20 0.04 0.00 -2.02 0.00 0.00 63.50 61.89 1f5c n PRO 61 Cb 0.39 -1.87 0.26 0.00 -0.02 0.00 0.00 33.50 32.26 1f5c n PRO 61 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 1f5c h GLU 62 N 0.01 0.96 -0.21 -0.52 4.22 -2.01 -1.73 114.58 115.30 1f5c h GLU 62 Ca -0.46 -0.06 0.00 0.00 0.08 0.00 0.00 59.36 58.92 1f5c h GLU 62 Cb 1.37 -0.22 0.00 0.00 0.50 0.00 0.00 28.75 30.40 1f5c h GLU 62 CO 0.46 0.64 0.00 -0.40 -2.18 0.00 0.00 179.01 177.52 1f5c n ASP 63 N -4.48 0.74 -0.30 1.04 5.68 -1.26 -3.45 116.55 114.52 1f5c n ASP 63 Ca 0.13 -2.02 0.02 0.00 -0.50 0.00 0.00 54.79 52.42 1f5c n ASP 63 Cb 0.20 -0.13 0.03 0.00 -1.14 0.00 0.00 41.12 40.07 1f5c n ASP 63 CO 0.00 0.00 0.00 0.23 -1.33 0.00 0.00 177.20 176.10 1f5c n MET 64 N -0.14 0.44 0.07 0.11 2.81 -0.66 -4.84 117.12 114.91 1f5c n MET 64 Ca 0.04 -1.27 0.18 0.00 -1.81 0.00 0.00 57.70 54.84 1f5c n MET 64 Cb 0.13 -0.74 0.71 0.00 -0.71 0.00 0.00 33.22 32.62 1f5c n MET 64 CO 0.00 0.00 0.00 1.96 1.51 0.00 0.00 175.97 179.44 1f5c h GLN 65 N 0.00 0.00 0.00 0.03 1.08 -1.55 -1.47 115.11 113.19 1f5c h GLN 65 Ca 0.00 0.00 -0.00 0.00 -1.45 0.00 0.00 58.65 57.20 1f5c h GLN 65 Cb 1.20 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 28.63 1f5c h GLN 65 CO 0.00 0.00 -0.01 1.49 -0.95 0.00 0.00 178.83 179.36 1f5c h GLU 66 N 0.00 0.00 0.00 1.46 4.57 -1.89 -2.13 114.58 116.59 1f5c h GLU 66 Ca 0.19 0.00 -0.02 0.00 -1.18 0.00 0.00 59.36 58.36 1f5c h GLU 66 Cb 0.83 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 29.41 1f5c h GLU 66 CO -0.00 0.01 -0.07 0.74 -1.18 0.00 0.00 179.01 178.51 1f5c h PHE 67 N 0.00 0.00 0.83 0.92 0.04 -1.61 -2.21 116.94 114.91 1f5c h PHE 67 Ca -0.00 0.00 -0.04 0.00 2.80 0.00 0.00 57.97 60.73 1f5c h PHE 67 Cb 0.03 0.00 0.01 0.00 2.20 0.00 0.00 35.95 38.19 1f5c h PHE 67 CO 0.00 0.07 -0.40 0.82 -0.60 0.00 0.00 178.31 178.20 1f5c h ILE 68 N 0.00 0.05 -0.26 -0.55 2.04 -1.56 0.50 117.51 117.73 1f5c h ILE 68 Ca -0.00 -0.16 -0.07 0.00 1.00 0.00 0.00 64.86 65.63 1f5c h ILE 68 Cb 0.47 0.06 -0.01 0.00 -0.74 0.00 0.00 36.82 36.59 1f5c h ILE 68 CO 0.01 0.00 -0.12 0.06 0.00 0.00 0.00 178.15 178.10 1f5c h GLN 69 N -1.26 0.43 -0.78 2.37 3.07 -1.72 -2.66 115.11 114.56 1f5c h GLN 69 Ca -0.11 -0.12 0.00 0.00 0.09 0.00 0.00 58.65 58.51 1f5c h GLN 69 Cb 0.86 -0.05 -0.04 0.00 0.08 0.00 0.00 27.48 28.33 1f5c h GLN 69 CO 0.19 0.56 0.49 1.25 0.09 0.00 0.00 178.83 181.41 1f5c h LEU 70 N 0.40 0.91 -0.58 0.06 5.85 -1.25 0.16 115.31 120.86 1f5c h LEU 70 Ca 0.08 -0.04 -0.01 0.00 0.84 0.00 0.00 57.88 58.75 1f5c h LEU 70 Cb 0.46 -0.23 -0.03 0.00 0.37 0.00 0.00 40.66 41.24 1f5c h LEU 70 CO 0.03 0.68 0.32 0.78 -0.34 0.00 0.00 178.44 179.91 1f5c h ASN 71 N 1.06 0.71 -0.38 1.25 -0.26 -0.55 -1.09 115.58 116.33 1f5c h ASN 71 Ca 0.28 -0.09 0.00 0.00 -0.56 0.00 0.00 56.30 55.94 1f5c h ASN 71 Cb -0.08 -0.18 -0.02 0.00 -1.06 0.00 0.00 38.32 36.98 1f5c h ASN 71 CO -0.06 0.59 0.24 0.00 -1.06 0.00 0.00 177.43 177.14 1f5c h ALA 72 N 1.15 0.48 -0.09 -0.83 0.00 -1.16 -1.49 119.26 117.32 1f5c h ALA 72 Ca 0.20 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.06 1f5c h ALA 72 Cb 0.03 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 17.67 1f5c h ALA 72 CO -0.03 -0.04 0.01 0.93 0.00 0.00 0.00 179.25 180.12 1f5c h GLU 73 N 0.50 0.15 0.00 0.00 5.08 -0.74 -3.19 114.58 116.38 1f5c h GLU 73 Ca 0.14 -0.04 -0.08 0.00 -1.00 0.00 0.00 59.36 58.37 1f5c h GLU 73 Cb -0.02 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.20 1f5c h GLU 73 CO -0.03 0.37 -0.40 -0.07 -1.00 0.00 0.00 179.01 177.88 1f5c h LEU 74 N -0.10 0.00 -1.70 1.33 3.38 -1.20 -2.81 115.31 114.22 1f5c h LEU 74 Ca 0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.00 1f5c h LEU 74 Cb 0.30 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.05 1f5c h LEU 74 CO 0.00 0.40 0.00 0.00 0.09 0.00 0.00 178.44 178.93 1f5c h ALA 75 N 1.60 1.00 0.00 1.53 0.00 -1.25 -0.68 119.26 121.45 1f5c h ALA 75 Ca -0.00 0.00 -0.09 0.00 0.00 0.00 0.00 54.91 54.82 1f5c h ALA 75 Cb 0.93 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.71 1f5c h ALA 75 CO 0.05 0.00 -0.71 0.93 0.00 0.00 0.00 179.25 179.52 1f5c h GLU 76 N 0.00 0.00 0.00 0.00 4.39 -1.54 -3.39 114.58 114.05 1f5c h GLU 76 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1f5c h GLU 76 Cb 0.23 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.88 1f5c h GLU 76 CO 0.00 0.30 -0.33 1.33 -1.16 0.00 0.00 179.01 179.15 1f5c n VAL 77 N -3.05 0.00 -3.61 3.13 0.24 -0.76 -5.05 118.33 109.23 1f5c n VAL 77 Ca -0.01 -0.36 -0.27 0.00 -2.04 0.00 0.00 64.34 61.66 1f5c n VAL 77 Cb 0.70 0.90 -0.03 0.00 -1.47 0.00 0.00 33.84 33.94 1f5c n VAL 77 CO 0.00 0.00 0.00 0.26 -2.14 0.00 0.00 176.83 174.95 1f5c s TRP 78 N -1.47 3.48 0.44 6.34 0.51 -0.34 -5.08 118.94 122.82 1f5c s TRP 78 Ca 0.01 0.38 -0.23 0.00 -2.12 0.00 0.00 56.10 54.14 1f5c s TRP 78 Cb 0.02 -1.89 -0.08 0.00 -0.81 0.00 0.00 33.47 30.72 1f5c s TRP 78 CO 0.14 0.31 1.11 -1.25 -0.51 0.00 0.00 176.95 176.75 1f5c s PRO 79 N -3.52 3.91 0.34 4.98 0.04 -1.26 -4.73 135.00 134.77 1f5c s PRO 79 Ca 0.39 1.64 -0.28 0.00 0.04 0.00 0.00 61.00 62.80 1f5c s PRO 79 Cb -0.11 -2.43 -0.10 0.00 0.04 0.00 0.00 34.50 31.90 1f5c s PRO 79 CO 0.30 -0.39 1.25 1.21 0.04 0.00 0.00 177.00 179.42 1f5c s ASN 80 N -1.49 6.78 -0.10 6.66 3.04 -1.26 -0.92 114.94 127.64 1f5c s ASN 80 Ca 0.62 2.57 0.01 0.00 0.04 0.00 0.00 52.86 56.10 1f5c s ASN 80 Cb -0.25 -2.64 0.02 0.00 -1.54 0.00 0.00 41.25 36.84 1f5c s ASN 80 CO 0.31 -0.52 -0.10 -0.51 -3.04 0.00 0.00 177.10 173.24 1f5c s ILE 81 N -1.19 1.15 0.00 -5.21 2.07 -0.59 -4.81 121.20 112.61 1f5c s ILE 81 Ca 0.50 -0.40 0.00 0.00 -1.41 0.00 0.00 60.65 59.33 1f5c s ILE 81 Cb -0.37 -1.11 0.00 0.00 0.13 0.00 0.00 42.46 41.11 1f5c s ILE 81 CO 0.49 0.38 0.39 0.35 -1.91 0.00 0.00 174.94 174.63 1f5c n THR 82 N 4.53 0.04 -4.68 4.00 -2.24 -1.26 -4.35 114.28 110.32 1f5c n THR 82 Ca -0.17 -0.38 -0.27 0.00 -2.27 0.00 0.00 64.05 60.96 1f5c n THR 82 Cb 0.51 1.24 -0.14 0.00 -2.10 0.00 0.00 70.33 69.84 1f5c n THR 82 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 1f5c s GLU 83 N -0.04 1.49 0.30 -0.78 2.02 -1.26 -4.65 118.70 115.78 1f5c s GLU 83 Ca 0.00 -1.03 -0.29 0.00 0.02 0.00 0.00 54.97 53.66 1f5c s GLU 83 Cb 0.00 -1.66 -0.10 0.00 0.10 0.00 0.00 34.13 32.47 1f5c s GLU 83 CO 0.00 0.42 1.29 0.21 0.02 0.00 0.00 175.26 177.20 1f5c s LYS 84 N -1.31 4.39 0.32 1.61 2.36 -1.26 -4.93 119.74 120.92 1f5c s LYS 84 Ca 0.09 2.15 0.03 0.00 -2.55 0.00 0.00 55.97 55.69 1f5c s LYS 84 Cb -0.09 -3.11 -0.06 0.00 -1.05 0.00 0.00 37.83 33.52 1f5c s LYS 84 CO 0.02 -0.17 0.08 0.21 1.55 0.00 0.00 175.35 177.04 1f5c s LYS 85 N -1.35 1.65 0.39 4.03 2.20 -1.26 -5.12 119.74 120.28 1f5c s LYS 85 Ca 0.51 -1.93 -0.25 0.00 -0.36 0.00 0.00 55.97 53.94 1f5c s LYS 85 Cb -0.38 -0.72 -0.09 0.00 -1.51 0.00 0.00 37.83 35.13 1f5c s LYS 85 CO 0.48 -0.25 1.12 -0.51 -0.36 0.00 0.00 175.35 175.84 1f5c s ASP 86 N -3.47 6.67 1.03 1.43 1.01 -1.26 -4.71 116.67 117.37 1f5c s ASP 86 Ca 0.35 2.24 -0.12 0.00 0.71 0.00 0.00 52.55 55.74 1f5c s ASP 86 Cb 0.08 -2.61 0.21 0.00 1.01 0.00 0.00 42.92 41.61 1f5c s ASP 86 CO 0.15 -0.56 1.08 -2.84 0.21 0.00 0.00 175.17 173.21 1f5c s PRO 87 N -2.26 0.16 0.63 8.23 0.02 -1.26 -4.91 135.00 135.61 1f5c s PRO 87 Ca 0.56 1.11 -0.18 0.00 0.02 0.00 0.00 61.00 62.50 1f5c s PRO 87 Cb -0.28 -1.66 -0.02 0.00 0.02 0.00 0.00 34.50 32.56 1f5c s PRO 87 CO 0.35 -3.08 1.30 -0.51 -0.33 0.00 0.00 177.00 174.74 1f5c s LEU 88 N -6.83 3.61 0.16 -5.54 1.43 -0.52 -4.89 118.68 106.10 1f5c s LEU 88 Ca 0.67 2.64 -0.18 0.00 -1.03 0.00 0.00 54.13 56.22 1f5c s LEU 88 Cb -0.23 -4.58 0.09 0.00 0.03 0.00 0.00 46.19 41.50 1f5c s LEU 88 CO 0.61 -1.94 1.21 -0.81 0.23 0.00 0.00 176.35 175.65 1f5c n PRO 89 N -1.79 -0.25 -1.85 1.29 -0.04 -1.26 -1.74 135.00 129.37 1f5c n PRO 89 Ca 0.15 1.20 -0.30 0.00 -0.04 0.00 0.00 63.50 64.51 1f5c n PRO 89 Cb 0.48 -1.77 0.04 0.00 -0.04 0.00 0.00 33.50 32.21 1f5c n PRO 89 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1f5c n ASP 90 N -5.08 6.16 -0.23 3.54 8.00 -1.26 -4.80 116.55 122.88 1f5c n ASP 90 Ca 0.05 -3.77 0.03 0.00 0.71 0.00 0.00 54.79 51.81 1f5c n ASP 90 Cb 0.27 -0.67 0.15 0.00 -0.02 0.00 0.00 41.12 40.85 1f5c n ASP 90 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1f5c h ALA 91 N 2.29 0.88 -0.43 2.24 0.00 -1.49 -1.41 119.26 121.34 1f5c h ALA 91 Ca 0.47 0.13 0.00 0.00 0.00 0.00 0.00 54.91 55.50 1f5c h ALA 91 Cb 1.01 0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.92 1f5c h ALA 91 CO 1.14 -0.27 0.27 1.49 0.00 0.00 0.00 179.25 181.88 1f5c h GLU 92 N 0.34 0.57 -0.55 0.00 4.81 -1.87 -0.07 114.58 117.81 1f5c h GLU 92 Ca 0.37 -0.04 -0.06 0.00 -0.13 0.00 0.00 59.36 59.50 1f5c h GLU 92 Cb 0.56 -0.13 -0.02 0.00 0.63 0.00 0.00 28.75 29.79 1f5c h GLU 92 CO -0.41 0.39 0.10 -0.44 -0.73 0.00 0.00 179.01 177.92 1f5c h ASP 93 N 0.59 0.82 0.31 1.04 3.45 -1.65 -3.13 116.42 117.84 1f5c h ASP 93 Ca 0.16 -0.16 0.00 0.00 0.43 0.00 0.00 57.03 57.45 1f5c h ASP 93 Cb -0.04 -0.21 0.00 0.00 -0.56 0.00 0.00 39.33 38.51 1f5c h ASP 93 CO -0.03 0.82 -0.74 0.79 -1.57 0.00 0.00 179.24 178.51 1f5c n TRP 94 N -4.25 0.03 -2.04 4.55 7.02 -0.79 -4.78 117.44 117.17 1f5c n TRP 94 Ca 0.04 0.01 -0.42 0.00 -1.02 0.00 0.00 57.50 56.10 1f5c n TRP 94 Cb 0.25 -0.18 -0.03 0.00 -2.42 0.00 0.00 31.31 28.94 1f5c n TRP 94 CO 0.00 0.00 0.00 0.34 -2.02 0.00 0.00 177.69 176.01 1f5c s ASP 95 N -3.10 5.83 0.00 -0.99 -1.08 -0.11 -1.99 116.67 115.23 1f5c s ASP 95 Ca 0.09 1.09 0.00 0.00 -0.52 0.00 0.00 52.55 53.21 1f5c s ASP 95 Cb 0.17 -2.53 0.00 0.00 -1.46 0.00 0.00 42.92 39.10 1f5c s ASP 95 CO 0.77 -1.80 0.00 0.61 0.52 0.00 0.00 175.17 175.28 1f5c n GLY 96 N 5.43 1.86 3.72 2.66 0.00 -1.26 -5.00 105.19 112.60 1f5c n GLY 96 Ca 0.22 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.82 1f5c n GLY 96 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1f5c s VAL 97 N -2.14 3.90 0.47 1.61 1.01 -0.84 -5.02 120.40 119.39 1f5c s VAL 97 Ca 0.00 1.48 -0.03 0.00 0.00 0.00 0.00 61.98 63.43 1f5c s VAL 97 Cb 0.00 -3.95 -0.02 0.00 0.00 0.00 0.00 36.38 32.41 1f5c s VAL 97 CO 0.00 0.18 0.74 -1.59 0.00 0.00 0.00 175.10 174.43 1f5c s LYS 98 N 0.40 3.34 -1.58 2.72 0.00 -1.26 -4.42 119.74 118.94 1f5c s LYS 98 Ca 0.55 -0.06 -0.04 0.00 0.00 0.00 0.00 55.97 56.42 1f5c s LYS 98 Cb -0.30 -2.44 0.00 0.00 0.00 0.00 0.00 37.83 35.09 1f5c s LYS 98 CO 0.32 -0.24 0.46 0.41 0.00 0.00 0.00 175.35 176.31 1f5c n GLY 99 N -2.20 -0.49 0.00 0.59 0.00 -1.26 -4.88 105.19 96.96 1f5c n GLY 99 Ca 0.00 0.08 0.09 0.00 0.00 0.00 0.00 46.02 46.19 1f5c n GLY 99 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1f5c n LYS 100 N -3.74 0.32 0.17 1.61 5.02 -1.26 -2.95 118.16 117.33 1f5c n LYS 100 Ca -0.14 0.10 0.13 0.00 -2.02 0.00 0.00 58.31 56.38 1f5c n LYS 100 Cb 0.63 -1.50 0.69 0.00 -0.02 0.00 0.00 35.03 34.84 1f5c n LYS 100 CO 0.00 0.00 0.00 1.25 -0.52 0.00 0.00 177.40 178.13 1f5c h LEU 101 N 0.00 0.00 -1.32 -0.35 5.85 -1.90 0.18 115.31 117.78 1f5c h LEU 101 Ca 0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 1f5c h LEU 101 Cb 0.13 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.16 1f5c h LEU 101 CO 0.00 0.00 0.00 0.06 -0.34 0.00 0.00 178.44 178.16 1f5c h GLN 102 N 0.00 0.00 -0.07 1.25 3.07 -1.94 -2.01 115.11 115.41 1f5c h GLN 102 Ca 0.09 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.83 1f5c h GLN 102 Cb 0.38 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.94 1f5c h GLN 102 CO -0.00 0.00 0.00 0.72 0.09 0.00 0.00 178.83 179.64 1f5c n HIS 103 N -2.42 0.07 -1.70 0.06 8.25 0.63 -5.01 115.22 115.10 1f5c n HIS 103 Ca -0.00 -0.05 -0.43 0.00 -0.26 0.00 0.00 57.72 56.98 1f5c n HIS 103 Cb 0.14 -0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.21 1f5c n HIS 103 CO 0.00 0.00 0.00 -0.11 0.64 0.00 0.00 176.34 176.87 1f5c n LEU 104 N 1.01 3.72 -4.64 2.41 7.94 -0.76 -4.97 117.00 121.71 1f5c n LEU 104 Ca 0.11 1.06 -0.35 0.00 -1.11 0.00 0.00 56.01 55.72 1f5c n LEU 104 Cb 0.45 -1.52 -0.10 0.00 0.53 0.00 0.00 43.42 42.78 1f5c n LEU 104 CO 0.11 0.03 -0.30 -1.61 -1.11 0.00 0.00 177.39 174.51 1f5c s GLU 105 N 1.36 3.34 0.00 1.96 2.02 -1.26 -5.11 118.70 121.02 1f5c s GLU 105 Ca 0.78 -0.41 0.31 0.00 0.02 0.00 0.00 54.97 55.67 1f5c s GLU 105 Cb -0.56 -2.91 1.74 0.00 0.10 0.00 0.00 34.13 32.49 1f5c s GLU 105 CO 0.35 0.52 2.13 -2.13 0.02 0.00 0.00 175.26 176.15