#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ff2 s PHE 2 N 0.00 3.60 -0.08 0.00 0.40 -1.26 0.03 117.98 120.66 1ff2 s PHE 2 Ca 0.00 0.54 0.05 0.00 -0.60 0.00 0.00 56.93 56.91 1ff2 s PHE 2 Cb 0.00 -1.95 -0.00 0.00 0.51 0.00 0.00 43.02 41.58 1ff2 s PHE 2 CO 0.00 0.73 -0.24 0.08 0.70 0.00 0.00 175.22 176.49 1ff2 s VAL 3 N -1.06 1.99 -0.16 -0.44 1.01 0.85 -4.67 120.40 117.93 1ff2 s VAL 3 Ca 0.16 -1.00 -0.29 0.00 0.00 0.00 0.00 61.98 60.86 1ff2 s VAL 3 Cb -0.12 -1.71 -0.00 0.00 0.00 0.00 0.00 36.38 34.54 1ff2 s VAL 3 CO 0.06 0.55 1.01 -0.69 0.00 0.00 0.00 175.10 176.02 1ff2 s VAL 4 N 0.21 4.75 0.00 2.92 1.01 -1.26 -1.30 120.40 126.72 1ff2 s VAL 4 Ca -0.14 2.02 0.00 0.00 0.00 0.00 0.00 61.98 63.86 1ff2 s VAL 4 Cb -0.17 -4.30 0.00 0.00 0.00 0.00 0.00 36.38 31.91 1ff2 s VAL 4 CO 0.07 -0.07 0.00 0.35 0.00 0.00 0.00 175.10 175.45 1ff2 n THR 5 N 4.86 0.00 -0.26 3.92 -2.24 0.11 -4.87 114.28 115.80 1ff2 n THR 5 Ca 0.10 0.00 0.08 0.00 -2.27 0.00 0.00 64.05 61.95 1ff2 n THR 5 Cb 0.48 -0.74 0.20 0.00 -2.10 0.00 0.00 70.33 68.17 1ff2 n THR 5 CO 0.00 0.00 0.00 -0.78 -0.57 0.00 0.00 175.07 173.72 1ff2 h ASP 6 N 0.00 -0.09 0.12 3.42 3.58 -1.93 -2.89 116.42 118.62 1ff2 h ASP 6 Ca 0.00 0.17 0.00 0.00 0.42 0.00 0.00 57.03 57.62 1ff2 h ASP 6 Cb 0.00 0.26 0.00 0.00 1.72 0.00 0.00 39.33 41.31 1ff2 h ASP 6 CO 0.00 -0.11 0.00 -3.20 -2.88 0.00 0.00 179.24 173.05 1ff2 n ASN 7 N -5.23 0.00 0.08 2.28 5.15 -1.26 -2.11 115.26 114.18 1ff2 n ASN 7 Ca 0.16 -0.09 -0.10 0.00 -0.60 0.00 0.00 54.58 53.95 1ff2 n ASN 7 Cb 0.53 -0.16 -0.04 0.00 -0.53 0.00 0.00 39.78 39.57 1ff2 n ASN 7 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1ff2 s ILE 9 N -3.11 2.06 0.00 0.00 1.01 -0.89 -0.59 121.20 119.68 1ff2 s ILE 9 Ca -0.03 0.05 0.00 0.00 0.00 0.00 0.00 60.65 60.66 1ff2 s ILE 9 Cb 0.09 -3.03 0.00 0.00 0.01 0.00 0.00 42.46 39.53 1ff2 s ILE 9 CO 0.84 0.00 0.00 0.29 0.00 0.00 0.00 174.94 176.08 1ff2 n LYS 10 N 3.85 -0.15 0.00 2.79 4.76 -1.02 -4.76 118.16 123.63 1ff2 n LYS 10 Ca 0.15 0.04 -0.01 0.00 -2.87 0.00 0.00 58.31 55.62 1ff2 n LYS 10 Cb 0.36 -3.24 -0.00 0.00 -1.84 0.00 0.00 35.03 30.30 1ff2 n LYS 10 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1ff2 n LYS 12 N -2.97 -2.70 -0.09 0.00 4.81 0.24 -1.82 118.16 115.63 1ff2 n LYS 12 Ca -0.01 0.40 0.07 0.00 -0.87 0.00 0.00 58.31 57.90 1ff2 n LYS 12 Cb 0.05 -4.35 0.41 0.00 0.02 0.00 0.00 35.03 31.16 1ff2 n LYS 12 CO 0.00 0.00 0.00 1.88 1.17 0.00 0.00 177.40 180.45 1ff2 h TYR 13 N -1.89 0.59 -0.90 5.64 0.05 -1.91 -3.35 116.97 115.20 1ff2 h TYR 13 Ca -0.64 0.01 -0.31 0.00 0.05 0.00 0.00 58.73 57.84 1ff2 h TYR 13 Cb 1.37 -0.20 -0.11 0.00 1.01 0.00 0.00 36.73 38.80 1ff2 h TYR 13 CO 0.45 0.33 -0.30 0.25 -1.05 0.00 0.00 178.16 177.84 1ff2 n THR 14 N -4.47 -0.08 0.20 -2.88 -2.24 -1.26 -4.05 114.28 99.49 1ff2 n THR 14 Ca 0.07 0.00 0.07 0.00 -2.27 0.00 0.00 64.05 61.92 1ff2 n THR 14 Cb 0.19 -1.68 0.37 0.00 -2.10 0.00 0.00 70.33 67.11 1ff2 n THR 14 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 1ff2 h ASP 15 N 0.00 0.00 -0.72 3.42 3.32 -1.89 -3.20 116.42 117.36 1ff2 h ASP 15 Ca -0.32 0.00 0.11 0.00 0.02 0.00 0.00 57.03 56.84 1ff2 h ASP 15 Cb 1.03 0.00 -0.05 0.00 0.22 0.00 0.00 39.33 40.53 1ff2 h ASP 15 CO 0.46 0.33 0.48 0.00 -1.72 0.00 0.00 179.24 178.78 1ff2 h VAL 17 N 0.53 0.90 0.00 0.00 -1.51 -1.92 -3.25 116.25 111.01 1ff2 h VAL 17 Ca 0.34 -1.66 0.00 0.00 -1.23 0.00 0.00 66.70 64.15 1ff2 h VAL 17 Cb 0.60 2.02 0.00 0.00 -2.13 0.00 0.00 31.29 31.78 1ff2 h VAL 17 CO -0.12 0.40 0.00 -0.62 -1.23 0.00 0.00 177.57 176.01 1ff2 n GLU 18 N -3.49 0.18 -0.01 5.19 -0.58 -1.15 -2.68 120.64 118.11 1ff2 n GLU 18 Ca 0.00 0.40 0.08 0.00 -0.42 0.00 0.00 57.16 57.22 1ff2 n GLU 18 Cb 0.55 -1.84 0.07 0.00 -0.57 0.00 0.00 31.44 29.65 1ff2 n GLU 18 CO 0.00 0.00 0.00 0.28 -0.48 0.00 0.00 177.13 176.93 1ff2 n VAL 19 N -2.19 0.03 -2.69 2.62 0.31 -1.22 -4.95 118.33 110.23 1ff2 n VAL 19 Ca 0.02 -0.52 -0.43 0.00 -0.01 0.00 0.00 64.34 63.41 1ff2 n VAL 19 Cb 0.23 1.30 -0.03 0.00 -0.91 0.00 0.00 33.84 34.44 1ff2 n VAL 19 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1ff2 h PRO 21 N 9.06 0.38 -0.07 0.00 0.13 -1.92 -3.04 132.00 136.54 1ff2 h PRO 21 Ca -0.23 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.88 1ff2 h PRO 21 Cb 1.07 -0.09 0.00 0.00 0.13 0.00 0.00 31.00 32.11 1ff2 h PRO 21 CO 1.08 0.25 0.00 1.33 -0.23 0.00 0.00 178.00 180.43 1ff2 n VAL 22 N -4.48 0.14 -3.58 1.56 0.24 -1.26 -5.02 118.33 105.94 1ff2 n VAL 22 Ca 0.16 -0.57 -0.25 0.00 -2.04 0.00 0.00 64.34 61.63 1ff2 n VAL 22 Cb 0.60 1.14 0.05 0.00 -1.47 0.00 0.00 33.84 34.15 1ff2 n VAL 22 CO 0.00 0.00 0.00 0.47 -2.14 0.00 0.00 176.83 175.16 1ff2 n ASP 23 N 0.65 -4.76 -1.71 -1.34 8.00 -1.15 -4.93 116.55 111.31 1ff2 n ASP 23 Ca 0.08 -0.90 -0.08 0.00 0.71 0.00 0.00 54.79 54.60 1ff2 n ASP 23 Cb 0.32 -3.98 0.25 0.00 -0.02 0.00 0.00 41.12 37.69 1ff2 n ASP 23 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1ff2 s PHE 25 N -3.10 3.54 -0.05 0.00 0.08 -1.26 -0.97 117.98 116.21 1ff2 s PHE 25 Ca 0.51 0.54 0.05 0.00 0.12 0.00 0.00 56.93 58.15 1ff2 s PHE 25 Cb 0.43 -2.12 -0.00 0.00 -0.57 0.00 0.00 43.02 40.76 1ff2 s PHE 25 CO 0.09 0.51 -0.19 0.71 -0.10 0.00 0.00 175.22 176.24 1ff2 s TYR 26 N -0.37 1.91 -0.06 0.36 1.51 -0.57 -1.58 117.35 118.55 1ff2 s TYR 26 Ca 0.14 -0.57 -0.01 0.00 -1.01 0.00 0.00 57.07 55.62 1ff2 s TYR 26 Cb -0.12 -1.28 -0.03 0.00 -0.11 0.00 0.00 41.96 40.41 1ff2 s TYR 26 CO 0.03 -0.19 0.01 -1.83 -1.11 0.00 0.00 175.55 172.46 1ff2 s GLU 27 N 0.03 2.94 0.51 -0.62 -1.05 0.53 -1.23 118.70 119.81 1ff2 s GLU 27 Ca -0.05 -0.46 0.05 0.00 -0.15 0.00 0.00 54.97 54.36 1ff2 s GLU 27 Cb -0.12 -2.77 0.02 0.00 -0.44 0.00 0.00 34.13 30.81 1ff2 s GLU 27 CO 0.03 0.68 0.32 0.20 0.95 0.00 0.00 175.26 177.45 1ff2 s GLY 28 N -1.10 2.43 0.22 -3.83 0.00 0.83 -3.94 107.32 101.92 1ff2 s GLY 28 Ca 0.15 -1.32 -0.09 0.00 0.00 0.00 0.00 44.72 43.47 1ff2 s GLY 28 CO 0.05 -1.95 1.67 -2.55 0.00 0.00 0.00 173.10 170.32 1ff2 h PRO 29 N 0.93 0.15 -0.01 2.90 0.11 -1.84 -3.27 132.00 130.97 1ff2 h PRO 29 Ca -0.39 -0.01 -0.13 0.00 0.11 0.00 0.00 66.00 65.58 1ff2 h PRO 29 Cb 1.29 -0.03 -0.28 0.00 0.11 0.00 0.00 31.00 32.09 1ff2 h PRO 29 CO 0.61 0.10 -0.88 0.27 -0.21 0.00 0.00 178.00 177.88 1ff2 n ASN 30 N -5.26 1.24 -3.51 -2.05 0.23 -1.26 -5.04 115.26 99.61 1ff2 n ASN 30 Ca 0.11 -2.57 -0.15 0.00 -0.53 0.00 0.00 54.58 51.44 1ff2 n ASN 30 Cb 0.39 -0.37 -0.05 0.00 -2.08 0.00 0.00 39.78 37.67 1ff2 n ASN 30 CO 0.00 0.00 0.00 0.12 -0.93 0.00 0.00 177.26 176.45 1ff2 s PHE 31 N -1.02 -0.57 0.21 -2.53 5.36 -1.23 -2.44 117.98 115.74 1ff2 s PHE 31 Ca 0.35 0.83 0.11 0.00 -0.96 0.00 0.00 56.93 57.26 1ff2 s PHE 31 Cb 0.38 0.46 -0.04 0.00 -0.34 0.00 0.00 43.02 43.47 1ff2 s PHE 31 CO -0.14 -0.62 -0.23 -0.51 -1.46 0.00 0.00 175.22 172.27 1ff2 s LEU 32 N -1.60 2.46 0.22 6.12 1.43 -1.26 -0.12 118.68 125.93 1ff2 s LEU 32 Ca -0.06 -0.90 0.02 0.00 -1.03 0.00 0.00 54.13 52.16 1ff2 s LEU 32 Cb -0.00 -1.12 -0.05 0.00 0.03 0.00 0.00 46.19 45.05 1ff2 s LEU 32 CO 0.03 0.09 0.05 0.68 0.23 0.00 0.00 176.35 177.42 1ff2 s VAL 33 N -1.86 0.67 -0.09 -1.59 -7.23 -0.37 -4.78 120.40 105.14 1ff2 s VAL 33 Ca 0.22 -2.00 0.03 0.00 -1.81 0.00 0.00 61.98 58.42 1ff2 s VAL 33 Cb -0.07 -2.41 -0.01 0.00 0.56 0.00 0.00 36.38 34.44 1ff2 s VAL 33 CO 0.10 -0.21 -0.18 -0.63 -0.31 0.00 0.00 175.10 173.87 1ff2 s ILE 34 N -3.67 2.62 -0.44 -0.62 1.01 -1.26 -1.51 121.20 117.32 1ff2 s ILE 34 Ca 0.32 -0.84 -0.29 0.00 0.00 0.00 0.00 60.65 59.84 1ff2 s ILE 34 Cb 0.07 -2.04 0.01 0.00 0.01 0.00 0.00 42.46 40.51 1ff2 s ILE 34 CO 0.10 0.55 1.37 -2.28 0.00 0.00 0.00 174.94 174.68 1ff2 s HIS 35 N 0.06 2.45 0.49 3.97 5.65 -0.15 -4.40 115.29 123.37 1ff2 s HIS 35 Ca -0.08 0.65 0.16 0.00 0.25 0.00 0.00 55.06 56.05 1ff2 s HIS 35 Cb -0.15 -4.35 1.20 0.00 -1.18 0.00 0.00 32.58 28.10 1ff2 s HIS 35 CO 0.05 -1.86 2.07 -1.00 -0.65 0.00 0.00 174.74 173.35 1ff2 h PRO 36 N 10.52 0.15 0.00 2.88 0.13 -1.89 -1.70 132.00 142.09 1ff2 h PRO 36 Ca -0.27 -0.01 -0.16 0.00 -0.87 0.00 0.00 66.00 64.70 1ff2 h PRO 36 Cb 1.10 -0.03 -0.02 0.00 0.13 0.00 0.00 31.00 32.17 1ff2 h PRO 36 CO 1.11 0.10 -0.76 -0.44 -0.23 0.00 0.00 178.00 177.78 1ff2 h ASP 37 N 0.15 0.00 0.44 1.44 3.32 -1.99 -3.27 116.42 116.51 1ff2 h ASP 37 Ca 0.13 0.00 -0.30 0.00 0.02 0.00 0.00 57.03 56.88 1ff2 h ASP 37 Cb 0.32 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 39.83 1ff2 h ASP 37 CO -0.02 0.76 -1.74 -0.33 -1.72 0.00 0.00 179.24 176.19 1ff2 h GLU 38 N 0.00 0.05 -6.51 3.56 5.08 -1.81 -3.47 114.58 111.49 1ff2 h GLU 38 Ca -0.01 -0.09 -0.59 0.00 -1.00 0.00 0.00 59.36 57.67 1ff2 h GLU 38 Cb 1.51 0.03 0.06 0.00 0.50 0.00 0.00 28.75 30.86 1ff2 h GLU 38 CO 0.10 0.65 0.73 0.00 -1.00 0.00 0.00 179.01 179.49 1ff2 n ILE 40 N 3.01 1.39 -3.85 0.00 -5.35 -1.26 -4.14 119.36 109.15 1ff2 n ILE 40 Ca 0.16 -1.13 -0.28 0.00 -0.27 0.00 0.00 62.75 61.22 1ff2 n ILE 40 Cb 0.29 0.32 0.03 0.00 -1.74 0.00 0.00 39.64 38.54 1ff2 n ILE 40 CO 0.00 0.00 0.00 0.47 -1.76 0.00 0.00 176.55 175.26 1ff2 n ASP 41 N 1.05 -4.55 -0.13 7.28 8.00 -1.26 -4.89 116.55 122.06 1ff2 n ASP 41 Ca 0.22 -0.75 0.14 0.00 0.71 0.00 0.00 54.79 55.11 1ff2 n ASP 41 Cb 0.69 -4.05 0.66 0.00 -0.02 0.00 0.00 41.12 38.39 1ff2 n ASP 41 CO 0.00 0.00 0.00 -0.90 -0.39 0.00 0.00 177.20 175.91 1ff2 n ASP 42 N -2.89 0.47 0.00 -2.24 3.85 -1.26 -4.88 116.55 109.60 1ff2 n ASP 42 Ca -0.01 -0.68 0.00 0.00 -0.71 0.00 0.00 54.79 53.39 1ff2 n ASP 42 Cb 0.55 -0.07 0.00 0.00 -1.35 0.00 0.00 41.12 40.25 1ff2 n ASP 42 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 1ff2 n ALA 43 N -0.88 0.00 0.23 2.12 0.00 -1.26 -4.90 120.51 115.82 1ff2 n ALA 43 Ca 0.16 0.00 0.09 0.00 0.00 0.00 0.00 53.44 53.69 1ff2 n ALA 43 Cb 0.26 -0.45 0.54 0.00 0.00 0.00 0.00 19.45 19.80 1ff2 n ALA 43 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1ff2 h LEU 44 N 0.00 0.00 0.00 0.00 4.07 -1.91 -2.81 115.31 114.66 1ff2 h LEU 44 Ca 0.00 0.00 -0.13 0.00 0.08 0.00 0.00 57.88 57.83 1ff2 h LEU 44 Cb 0.24 0.00 -0.02 0.00 1.08 0.00 0.00 40.66 41.96 1ff2 h LEU 44 CO 0.00 0.23 -0.69 0.00 -1.08 0.00 0.00 178.44 176.90 1ff2 h GLU 46 N 0.00 1.12 0.00 0.00 -0.00 -1.82 -1.98 114.58 111.90 1ff2 h GLU 46 Ca -0.02 -0.13 0.00 0.00 -0.00 0.00 0.00 59.36 59.21 1ff2 h GLU 46 Cb 1.47 -0.22 0.00 0.00 -0.00 0.00 0.00 28.75 30.01 1ff2 h GLU 46 CO 0.07 0.82 0.00 -0.35 -0.00 0.00 0.00 179.01 179.56 1ff2 n PRO 47 N -4.42 0.15 0.10 1.06 -0.04 -1.26 -3.46 135.00 127.14 1ff2 n PRO 47 Ca 0.08 0.05 0.12 0.00 -0.04 0.00 0.00 63.50 63.71 1ff2 n PRO 47 Cb 0.09 -1.50 0.10 0.00 -0.04 0.00 0.00 33.50 32.15 1ff2 n PRO 47 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 1ff2 h GLU 48 N 0.00 0.00 -6.16 0.54 4.39 -1.55 -3.46 114.58 108.35 1ff2 h GLU 48 Ca 0.00 0.00 -0.58 0.00 0.34 0.00 0.00 59.36 59.12 1ff2 h GLU 48 Cb 0.36 0.00 -0.06 0.00 -0.10 0.00 0.00 28.75 28.94 1ff2 h GLU 48 CO 0.00 0.00 0.79 0.00 -1.16 0.00 0.00 179.01 178.64 1ff2 h PRO 50 N 7.79 0.00 0.00 0.00 0.11 -1.92 -1.36 132.00 136.62 1ff2 h PRO 50 Ca -0.20 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.91 1ff2 h PRO 50 Cb 1.06 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.17 1ff2 h PRO 50 CO 1.00 0.16 -0.23 0.00 -0.21 0.00 0.00 178.00 178.71 1ff2 n ALA 51 N -2.31 2.88 -3.52 -0.75 0.00 -1.26 -4.93 120.51 110.61 1ff2 n ALA 51 Ca -0.02 -0.21 -0.26 0.00 0.00 0.00 0.00 53.44 52.95 1ff2 n ALA 51 Cb 0.27 -1.31 0.02 0.00 0.00 0.00 0.00 19.45 18.43 1ff2 n ALA 51 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1ff2 n GLN 52 N -1.53 -4.62 0.00 0.00 6.02 -0.51 -4.85 117.38 111.89 1ff2 n GLN 52 Ca 0.06 0.62 0.12 0.00 -0.01 0.00 0.00 57.00 57.79 1ff2 n GLN 52 Cb 0.34 -5.44 0.29 0.00 1.02 0.00 0.00 30.24 26.45 1ff2 n GLN 52 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1ff2 n ALA 53 N -4.02 3.23 -2.72 -1.58 0.00 -1.26 -4.89 120.51 109.27 1ff2 n ALA 53 Ca -0.01 -0.45 -0.36 0.00 0.00 0.00 0.00 53.44 52.61 1ff2 n ALA 53 Cb 0.55 -1.06 -0.07 0.00 0.00 0.00 0.00 19.45 18.87 1ff2 n ALA 53 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1ff2 s ILE 54 N -2.53 5.30 0.05 0.00 1.01 -1.26 0.09 121.20 123.86 1ff2 s ILE 54 Ca 0.22 0.53 0.03 0.00 0.00 0.00 0.00 60.65 61.43 1ff2 s ILE 54 Cb 0.19 -3.61 -0.03 0.00 0.01 0.00 0.00 42.46 39.02 1ff2 s ILE 54 CO 0.55 0.42 -0.09 -0.36 0.00 0.00 0.00 174.94 175.46 1ff2 s PHE 55 N 0.23 0.83 0.41 3.97 0.40 -0.42 -4.84 117.98 118.56 1ff2 s PHE 55 Ca 0.16 -0.51 -0.27 0.00 -0.60 0.00 0.00 56.93 55.72 1ff2 s PHE 55 Cb -0.13 -0.48 -0.09 0.00 0.51 0.00 0.00 43.02 42.82 1ff2 s PHE 55 CO 0.04 -0.05 1.42 0.45 0.70 0.00 0.00 175.22 177.78 1ff2 s SER 56 N -1.72 6.16 0.21 1.36 0.15 -1.26 -0.11 113.70 118.50 1ff2 s SER 56 Ca -0.07 2.90 -0.12 0.00 0.70 0.00 0.00 55.95 59.37 1ff2 s SER 56 Cb -0.09 -2.66 0.27 0.00 -1.71 0.00 0.00 66.02 61.83 1ff2 s SER 56 CO 0.01 -0.98 1.64 -0.08 1.20 0.00 0.00 173.24 175.02 1ff2 h GLU 57 N 2.67 0.04 0.00 5.44 4.81 -0.74 0.84 114.58 127.65 1ff2 h GLU 57 Ca -0.51 -0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.72 1ff2 h GLU 57 Cb 1.25 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 30.62 1ff2 h GLU 57 CO 0.63 0.03 0.00 -0.40 -0.73 0.00 0.00 179.01 178.53 1ff2 n ASP 58 N -5.38 0.00 -0.26 1.04 5.68 -1.26 -2.44 116.55 113.93 1ff2 n ASP 58 Ca 0.08 -0.58 0.03 0.00 -0.50 0.00 0.00 54.79 53.82 1ff2 n ASP 58 Cb 0.35 0.00 0.04 0.00 -1.14 0.00 0.00 41.12 40.37 1ff2 n ASP 58 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 1ff2 n GLU 59 N -0.99 1.01 -1.80 0.11 1.02 0.26 -5.03 120.64 115.22 1ff2 n GLU 59 Ca 0.13 -1.20 -0.42 0.00 -0.02 0.00 0.00 57.16 55.66 1ff2 n GLU 59 Cb 0.06 -1.12 -0.03 0.00 -0.02 0.00 0.00 31.44 30.34 1ff2 n GLU 59 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 1ff2 s VAL 60 N -0.67 2.61 0.39 2.62 1.01 -1.01 -4.82 120.40 120.54 1ff2 s VAL 60 Ca 0.08 0.22 -0.24 0.00 0.00 0.00 0.00 61.98 62.04 1ff2 s VAL 60 Cb 0.05 -3.14 -0.13 0.00 0.00 0.00 0.00 36.38 33.16 1ff2 s VAL 60 CO 0.07 0.00 0.66 -2.65 0.00 0.00 0.00 175.10 173.19 1ff2 n PRO 61 N 5.20 0.72 -0.33 2.72 -0.02 -1.26 -4.78 135.00 137.25 1ff2 n PRO 61 Ca 0.16 0.26 0.12 0.00 -2.02 0.00 0.00 63.50 62.02 1ff2 n PRO 61 Cb 0.38 -1.57 0.33 0.00 -0.02 0.00 0.00 33.50 32.63 1ff2 n PRO 61 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 1ff2 h GLU 62 N 1.05 0.75 -0.12 -0.52 4.22 -2.01 -0.73 114.58 117.21 1ff2 h GLU 62 Ca -0.40 -0.04 0.00 0.00 0.08 0.00 0.00 59.36 59.00 1ff2 h GLU 62 Cb 1.39 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 30.47 1ff2 h GLU 62 CO 0.54 0.49 0.00 -0.40 -2.18 0.00 0.00 179.01 177.46 1ff2 n ASP 63 N -4.65 0.72 -0.25 1.04 5.75 -1.26 -3.38 116.55 114.52 1ff2 n ASP 63 Ca 0.21 -1.89 0.06 0.00 -0.01 0.00 0.00 54.79 53.16 1ff2 n ASP 63 Cb 0.51 -0.08 0.08 0.00 -1.03 0.00 0.00 41.12 40.60 1ff2 n ASP 63 CO 0.00 0.00 0.00 0.23 -0.11 0.00 0.00 177.20 177.32 1ff2 n MET 64 N -0.16 0.74 0.19 0.11 2.81 -0.30 -4.80 117.12 115.72 1ff2 n MET 64 Ca 0.07 -1.89 0.16 0.00 -1.81 0.00 0.00 57.70 54.23 1ff2 n MET 64 Cb 0.13 -1.07 0.79 0.00 -0.71 0.00 0.00 33.22 32.36 1ff2 n MET 64 CO 0.00 0.00 0.00 1.96 1.51 0.00 0.00 175.97 179.44 1ff2 h GLN 65 N 0.00 0.00 -0.96 0.03 1.08 -1.53 -1.23 115.11 112.50 1ff2 h GLN 65 Ca 0.00 0.00 0.13 0.00 -1.45 0.00 0.00 58.65 57.33 1ff2 h GLN 65 Cb 1.17 0.00 -0.08 0.00 -0.05 0.00 0.00 27.48 28.52 1ff2 h GLN 65 CO 0.00 0.00 0.61 1.49 -0.95 0.00 0.00 178.83 179.98 1ff2 h GLU 66 N 0.00 0.84 0.00 1.46 4.57 -1.88 -2.60 114.58 116.97 1ff2 h GLU 66 Ca 0.09 -0.05 0.00 0.00 -1.18 0.00 0.00 59.36 58.22 1ff2 h GLU 66 Cb 0.43 -0.19 0.00 0.00 -0.16 0.00 0.00 28.75 28.83 1ff2 h GLU 66 CO -0.00 0.56 0.00 0.74 -1.18 0.00 0.00 179.01 179.13 1ff2 h PHE 67 N 0.87 0.00 0.28 0.92 0.04 -1.56 -2.14 116.94 115.35 1ff2 h PHE 67 Ca 0.49 0.00 -0.01 0.00 2.80 0.00 0.00 57.97 61.24 1ff2 h PHE 67 Cb 0.60 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.76 1ff2 h PHE 67 CO -0.00 0.00 -0.14 0.82 -0.60 0.00 0.00 178.31 178.39 1ff2 h ILE 68 N 0.00 0.75 -0.49 -0.55 2.04 -1.64 0.16 117.51 117.78 1ff2 h ILE 68 Ca 0.00 -0.27 -0.13 0.00 1.00 0.00 0.00 64.86 65.46 1ff2 h ILE 68 Cb 0.12 0.91 -0.01 0.00 -0.74 0.00 0.00 36.82 37.09 1ff2 h ILE 68 CO 0.00 0.06 -0.21 -0.61 0.00 0.00 0.00 178.15 177.39 1ff2 h GLN 69 N -0.53 1.00 -0.41 2.37 4.15 -1.71 -3.04 115.11 116.93 1ff2 h GLN 69 Ca -0.04 -0.43 0.07 0.00 0.77 0.00 0.00 58.65 59.02 1ff2 h GLN 69 Cb 0.39 -0.03 -0.06 0.00 0.21 0.00 0.00 27.48 27.99 1ff2 h GLN 69 CO 0.06 1.10 0.08 1.25 -1.93 0.00 0.00 178.83 179.39 1ff2 h LEU 70 N 0.86 -0.01 -0.84 -2.39 5.85 -1.20 -1.06 115.31 116.52 1ff2 h LEU 70 Ca 0.11 0.07 0.02 0.00 0.84 0.00 0.00 57.88 58.92 1ff2 h LEU 70 Cb 0.79 0.10 -0.04 0.00 0.37 0.00 0.00 40.66 41.88 1ff2 h LEU 70 CO 0.07 0.03 0.55 0.78 -0.34 0.00 0.00 178.44 179.53 1ff2 h ASN 71 N 0.20 0.93 -0.26 1.25 -0.26 -0.90 -0.66 115.58 115.88 1ff2 h ASN 71 Ca 0.20 -0.02 -0.05 0.00 -0.56 0.00 0.00 56.30 55.88 1ff2 h ASN 71 Cb 0.25 -0.22 -0.01 0.00 -1.06 0.00 0.00 38.32 37.28 1ff2 h ASN 71 CO -0.27 0.66 -0.02 0.00 -1.06 0.00 0.00 177.43 176.75 1ff2 h ALA 72 N 1.32 0.36 -0.21 -0.83 0.00 -1.21 -0.29 119.26 118.40 1ff2 h ALA 72 Ca 0.32 -0.24 -0.15 0.00 0.00 0.00 0.00 54.91 54.84 1ff2 h ALA 72 Cb -0.08 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 1ff2 h ALA 72 CO -0.09 0.11 -0.50 1.05 0.00 0.00 0.00 179.25 179.83 1ff2 h GLU 73 N 0.25 0.58 0.00 0.00 4.11 -1.00 -3.19 114.58 115.33 1ff2 h GLU 73 Ca 0.07 -0.34 -0.13 0.00 0.07 0.00 0.00 59.36 59.03 1ff2 h GLU 73 Cb 0.45 0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.72 1ff2 h GLU 73 CO 0.02 0.95 -0.60 -0.07 0.07 0.00 0.00 179.01 179.38 1ff2 h LEU 74 N 0.46 0.00 -2.59 3.06 3.38 -1.13 -2.95 115.31 115.54 1ff2 h LEU 74 Ca 0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.99 1ff2 h LEU 74 Cb 1.04 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.79 1ff2 h LEU 74 CO 0.10 0.60 0.00 0.00 0.09 0.00 0.00 178.44 179.22 1ff2 h ALA 75 N 1.40 1.00 0.00 1.53 0.00 -1.03 0.60 119.26 122.76 1ff2 h ALA 75 Ca -0.01 0.00 -0.08 0.00 0.00 0.00 0.00 54.91 54.83 1ff2 h ALA 75 Cb 1.41 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.19 1ff2 h ALA 75 CO 0.08 0.00 -0.72 0.93 0.00 0.00 0.00 179.25 179.53 1ff2 h GLU 76 N 0.00 0.00 0.00 0.00 4.39 -1.51 -3.38 114.58 114.07 1ff2 h GLU 76 Ca 0.00 0.00 -0.08 0.00 0.34 0.00 0.00 59.36 59.62 1ff2 h GLU 76 Cb 0.11 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.75 1ff2 h GLU 76 CO 0.00 0.24 -1.55 1.33 -1.16 0.00 0.00 179.01 177.88 1ff2 n VAL 77 N -3.01 0.30 -2.45 3.13 0.24 -0.19 -5.02 118.33 111.33 1ff2 n VAL 77 Ca -0.01 -0.31 -0.30 0.00 -2.04 0.00 0.00 64.34 61.68 1ff2 n VAL 77 Cb 0.68 -0.20 -0.01 0.00 -1.47 0.00 0.00 33.84 32.84 1ff2 n VAL 77 CO 0.00 0.00 0.00 0.26 -2.14 0.00 0.00 176.83 174.95 1ff2 s TRP 78 N -2.48 3.54 0.43 6.34 0.51 0.03 -5.07 118.94 122.24 1ff2 s TRP 78 Ca -0.04 1.11 -0.22 0.00 -2.12 0.00 0.00 56.10 54.83 1ff2 s TRP 78 Cb 0.05 -2.53 -0.09 0.00 -0.81 0.00 0.00 33.47 30.08 1ff2 s TRP 78 CO 0.40 -0.36 1.01 -1.25 -0.51 0.00 0.00 176.95 176.24 1ff2 s PRO 79 N -4.51 4.10 0.19 4.98 0.04 -1.25 -4.75 135.00 133.78 1ff2 s PRO 79 Ca 0.52 1.32 -0.31 0.00 0.04 0.00 0.00 61.00 62.57 1ff2 s PRO 79 Cb -0.10 -2.30 -0.11 0.00 0.04 0.00 0.00 34.50 32.03 1ff2 s PRO 79 CO 0.42 -0.17 1.59 1.21 0.04 0.00 0.00 177.00 180.09 1ff2 s ASN 80 N -1.90 6.54 -0.16 6.66 3.04 -1.26 -0.35 114.94 127.51 1ff2 s ASN 80 Ca 0.62 2.69 0.00 0.00 0.04 0.00 0.00 52.86 56.21 1ff2 s ASN 80 Cb -0.16 -2.60 0.00 0.00 -1.54 0.00 0.00 41.25 36.95 1ff2 s ASN 80 CO 0.20 -0.85 -0.15 -0.51 -3.04 0.00 0.00 177.10 172.75 1ff2 s ILE 81 N 1.02 2.60 0.00 -5.21 2.07 -0.61 -4.82 121.20 116.25 1ff2 s ILE 81 Ca 0.70 -0.78 0.00 0.00 -1.41 0.00 0.00 60.65 59.16 1ff2 s ILE 81 Cb -0.45 -2.10 0.00 0.00 0.13 0.00 0.00 42.46 40.04 1ff2 s ILE 81 CO 0.33 0.51 0.23 0.35 -1.91 0.00 0.00 174.94 174.45 1ff2 n THR 82 N 4.21 0.00 -4.31 4.00 -2.24 -1.26 -4.44 114.28 110.24 1ff2 n THR 82 Ca -0.19 -0.46 -0.22 0.00 -2.27 0.00 0.00 64.05 60.91 1ff2 n THR 82 Cb 0.51 1.04 -0.12 0.00 -2.10 0.00 0.00 70.33 69.67 1ff2 n THR 82 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 1ff2 s GLU 83 N -0.45 1.21 0.40 -0.78 2.02 -1.26 -4.62 118.70 115.22 1ff2 s GLU 83 Ca 0.00 -1.31 -0.26 0.00 0.02 0.00 0.00 54.97 53.42 1ff2 s GLU 83 Cb 0.00 -1.33 -0.09 0.00 0.10 0.00 0.00 34.13 32.82 1ff2 s GLU 83 CO 0.00 0.28 1.22 0.21 0.02 0.00 0.00 175.26 176.99 1ff2 s LYS 84 N -2.48 4.04 0.21 1.61 2.36 -1.26 -4.92 119.74 119.29 1ff2 s LYS 84 Ca 0.12 1.96 0.03 0.00 -2.55 0.00 0.00 55.97 55.53 1ff2 s LYS 84 Cb -0.07 -2.72 -0.05 0.00 -1.05 0.00 0.00 37.83 33.93 1ff2 s LYS 84 CO 0.06 -0.37 -0.02 0.21 1.55 0.00 0.00 175.35 176.78 1ff2 s LYS 85 N -2.24 1.26 0.34 4.03 2.20 -1.26 -5.12 119.74 118.95 1ff2 s LYS 85 Ca 0.57 -1.62 -0.28 0.00 -0.36 0.00 0.00 55.97 54.28 1ff2 s LYS 85 Cb -0.34 -0.56 -0.09 0.00 -1.51 0.00 0.00 37.83 35.33 1ff2 s LYS 85 CO 0.43 -0.08 1.20 -0.51 -0.36 0.00 0.00 175.35 176.03 1ff2 s ASP 86 N -3.26 6.82 1.13 1.43 1.01 -1.26 -4.65 116.67 117.88 1ff2 s ASP 86 Ca 0.26 2.45 -0.16 0.00 0.71 0.00 0.00 52.55 55.81 1ff2 s ASP 86 Cb 0.05 -2.63 0.17 0.00 1.01 0.00 0.00 42.92 41.52 1ff2 s ASP 86 CO 0.07 -0.48 0.41 -2.65 0.21 0.00 0.00 175.17 172.72 1ff2 n PRO 87 N 0.64 -1.83 -2.09 8.23 -0.02 -1.26 -4.92 135.00 133.75 1ff2 n PRO 87 Ca 0.01 -0.51 -0.39 0.00 -2.02 0.00 0.00 63.50 60.60 1ff2 n PRO 87 Cb 0.44 -1.89 -0.00 0.00 -0.02 0.00 0.00 33.50 32.04 1ff2 n PRO 87 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1ff2 s LEU 88 N -3.48 4.12 0.36 2.45 1.43 -0.75 -4.90 118.68 117.91 1ff2 s LEU 88 Ca 0.61 2.56 0.19 0.00 -1.03 0.00 0.00 54.13 56.45 1ff2 s LEU 88 Cb -0.17 -4.04 1.26 0.00 0.03 0.00 0.00 46.19 43.27 1ff2 s LEU 88 CO 0.66 -0.94 1.60 1.55 0.23 0.00 0.00 176.35 179.45 1ff2 h PRO 89 N 2.37 0.09 -0.48 1.29 0.13 -1.91 -0.92 132.00 132.57 1ff2 h PRO 89 Ca -0.50 -0.01 -0.29 0.00 -0.87 0.00 0.00 66.00 64.34 1ff2 h PRO 89 Cb 1.25 -0.02 -0.18 0.00 0.13 0.00 0.00 31.00 32.18 1ff2 h PRO 89 CO 0.61 0.06 -0.12 -0.25 -0.23 0.00 0.00 178.00 178.07 1ff2 n ASP 90 N -5.21 3.32 -0.28 1.44 8.00 -1.26 -4.80 116.55 117.77 1ff2 n ASP 90 Ca 0.36 -3.79 0.04 0.00 0.71 0.00 0.00 54.79 52.11 1ff2 n ASP 90 Cb 1.19 -0.62 0.18 0.00 -0.02 0.00 0.00 41.12 41.85 1ff2 n ASP 90 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1ff2 h ALA 91 N 1.29 1.16 -0.00 2.24 0.00 -1.28 -1.50 119.26 121.16 1ff2 h ALA 91 Ca 0.28 0.07 -0.07 0.00 0.00 0.00 0.00 54.91 55.19 1ff2 h ALA 91 Cb 1.57 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 19.30 1ff2 h ALA 91 CO 0.56 -0.05 -0.35 1.05 0.00 0.00 0.00 179.25 180.46 1ff2 h GLU 92 N 0.64 0.00 -0.44 0.00 4.11 -1.87 -0.85 114.58 116.17 1ff2 h GLU 92 Ca 0.41 -0.00 -0.05 0.00 0.07 0.00 0.00 59.36 59.79 1ff2 h GLU 92 Cb 0.51 -0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.74 1ff2 h GLU 92 CO -0.32 0.35 0.05 -0.44 0.07 0.00 0.00 179.01 178.72 1ff2 h ASP 93 N 0.00 0.64 0.11 3.06 3.45 -1.65 -3.03 116.42 119.00 1ff2 h ASP 93 Ca -0.00 -0.13 0.00 0.00 0.43 0.00 0.00 57.03 57.33 1ff2 h ASP 93 Cb 0.62 -0.17 0.00 0.00 -0.56 0.00 0.00 39.33 39.22 1ff2 h ASP 93 CO 0.05 0.68 -0.24 0.79 -1.57 0.00 0.00 179.24 178.95 1ff2 n TRP 94 N -4.26 0.00 -2.34 4.55 7.02 -0.82 -4.77 117.44 116.82 1ff2 n TRP 94 Ca 0.03 0.00 -0.43 0.00 -1.02 0.00 0.00 57.50 56.08 1ff2 n TRP 94 Cb 0.25 -0.06 -0.02 0.00 -2.42 0.00 0.00 31.31 29.06 1ff2 n TRP 94 CO 0.00 0.00 0.00 0.34 -2.02 0.00 0.00 177.69 176.01 1ff2 s ASP 95 N -2.36 6.38 0.00 -0.99 -1.08 -0.39 -2.34 116.67 115.89 1ff2 s ASP 95 Ca 0.26 0.94 0.00 0.00 -0.52 0.00 0.00 52.55 53.23 1ff2 s ASP 95 Cb 0.19 -2.54 0.00 0.00 -1.46 0.00 0.00 42.92 39.11 1ff2 s ASP 95 CO 0.48 -1.38 0.00 0.61 0.52 0.00 0.00 175.17 175.40 1ff2 n GLY 96 N 4.94 0.58 3.77 2.66 0.00 -1.26 -5.01 105.19 110.87 1ff2 n GLY 96 Ca 0.17 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.81 1ff2 n GLY 96 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ff2 s VAL 97 N -2.00 3.58 0.31 1.61 1.01 -0.99 -5.03 120.40 118.89 1ff2 s VAL 97 Ca 0.00 1.35 0.07 0.00 0.00 0.00 0.00 61.98 63.40 1ff2 s VAL 97 Cb 0.00 -3.76 -0.03 0.00 0.00 0.00 0.00 36.38 32.59 1ff2 s VAL 97 CO 0.00 0.14 0.27 -1.59 0.00 0.00 0.00 175.10 173.92 1ff2 s LYS 98 N -2.11 2.79 -1.46 2.72 0.00 -1.26 -4.54 119.74 115.88 1ff2 s LYS 98 Ca 0.53 -1.22 -0.08 0.00 0.00 0.00 0.00 55.97 55.20 1ff2 s LYS 98 Cb -0.26 -2.51 0.03 0.00 0.00 0.00 0.00 37.83 35.08 1ff2 s LYS 98 CO 0.33 0.18 0.85 0.41 0.00 0.00 0.00 175.35 177.13 1ff2 n GLY 99 N -1.32 -0.53 0.00 0.59 0.00 -1.26 -4.87 105.19 97.80 1ff2 n GLY 99 Ca -0.03 0.18 0.12 0.00 0.00 0.00 0.00 46.02 46.28 1ff2 n GLY 99 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1ff2 n LYS 100 N -4.44 0.53 0.30 1.61 5.02 -1.26 -3.10 118.16 116.81 1ff2 n LYS 100 Ca -0.04 0.04 0.17 0.00 -2.02 0.00 0.00 58.31 56.46 1ff2 n LYS 100 Cb 0.58 -1.50 0.92 0.00 -0.02 0.00 0.00 35.03 35.00 1ff2 n LYS 100 CO 0.00 0.00 0.00 1.25 -0.52 0.00 0.00 177.40 178.13 1ff2 h LEU 101 N 0.00 0.00 -0.75 -0.35 5.85 -1.89 0.86 115.31 119.02 1ff2 h LEU 101 Ca 0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 1ff2 h LEU 101 Cb 0.12 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.15 1ff2 h LEU 101 CO 0.00 0.04 0.00 0.00 -0.34 0.00 0.00 178.44 178.14 1ff2 n GLN 102 N -3.41 0.21 -0.16 1.25 10.64 -1.18 -2.36 117.38 122.37 1ff2 n GLN 102 Ca -0.02 0.44 0.10 0.00 -1.83 0.00 0.00 57.00 55.68 1ff2 n GLN 102 Cb 0.17 -1.89 0.18 0.00 -0.86 0.00 0.00 30.24 27.83 1ff2 n GLN 102 CO 0.00 0.00 0.00 0.72 -1.83 0.00 0.00 177.06 175.95 1ff2 n HIS 103 N -2.28 0.42 -1.82 2.61 8.25 0.29 -5.02 115.22 117.67 1ff2 n HIS 103 Ca 0.02 -0.26 -0.42 0.00 -0.26 0.00 0.00 57.72 56.81 1ff2 n HIS 103 Cb 0.23 -0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.31 1ff2 n HIS 103 CO 0.00 0.00 0.00 -1.17 0.64 0.00 0.00 176.34 175.81 1ff2 s LEU 104 N -1.31 4.36 -0.15 2.41 2.96 -1.00 -4.95 118.68 121.01 1ff2 s LEU 104 Ca 0.32 2.81 -0.02 0.00 -0.22 0.00 0.00 54.13 57.03 1ff2 s LEU 104 Cb 0.19 -3.61 -0.02 0.00 0.50 0.00 0.00 46.19 43.25 1ff2 s LEU 104 CO 0.26 -0.89 -0.09 -1.61 -1.32 0.00 0.00 176.35 172.69 1ff2 s GLU 105 N 0.53 3.46 0.00 1.98 2.02 -1.26 -5.10 118.70 120.33 1ff2 s GLU 105 Ca 0.69 -0.63 0.21 0.00 0.02 0.00 0.00 54.97 55.26 1ff2 s GLU 105 Cb -0.47 -2.76 1.26 0.00 0.10 0.00 0.00 34.13 32.26 1ff2 s GLU 105 CO 0.38 0.17 1.64 -2.13 0.02 0.00 0.00 175.26 175.33