#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3f1h n GLY 9 N 0.00 -0.06 5.38 0.23 0.00 -1.26 -4.82 105.19 104.65 3f1h n GLY 9 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3f1h n GLY 9 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3f1h n LYS 10 N -2.76 0.00 0.00 1.61 4.76 -1.26 -4.50 118.16 116.01 3f1h n LYS 10 Ca 0.00 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.44 3f1h n LYS 10 Cb 0.05 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.24 3f1h n LYS 10 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 3f1h n ARG 11 N 0.00 2.75 -0.12 1.97 5.12 -1.24 -4.79 116.66 120.35 3f1h n ARG 11 Ca 0.00 0.00 0.27 0.00 -1.93 0.00 0.00 57.85 56.19 3f1h n ARG 11 Cb 0.00 0.00 0.66 0.00 -1.16 0.00 0.00 32.46 31.96 3f1h n ARG 11 CO 0.00 0.00 0.00 -1.00 -1.93 0.00 0.00 177.63 174.70 3f1h h PRO 12 N 0.00 0.00 0.00 5.56 0.13 -1.91 -3.10 132.00 132.68 3f1h h PRO 12 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 3f1h h PRO 12 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 3f1h h PRO 12 CO 0.00 0.00 0.00 1.51 -0.23 0.00 0.00 178.00 179.28 3f1h n ILE 13 N -3.66 0.00 -1.38 -3.56 0.13 -1.26 -4.90 119.36 104.73 3f1h n ILE 13 Ca 0.17 1.41 0.00 0.00 -1.10 0.00 0.00 62.75 63.23 3f1h n ILE 13 Cb 1.08 -1.89 0.00 0.00 -0.84 0.00 0.00 39.64 37.99 3f1h n ILE 13 CO 0.00 0.00 0.00 0.52 2.80 0.00 0.00 176.55 179.87 3f1h n VAL 14 N -2.78 0.00 -3.94 9.51 0.31 -1.17 -5.03 118.33 115.22 3f1h n VAL 14 Ca 0.00 0.00 -0.29 0.00 -0.01 0.00 0.00 64.34 64.04 3f1h n VAL 14 Cb 0.00 -0.40 -0.17 0.00 -0.91 0.00 0.00 33.84 32.37 3f1h n VAL 14 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3f1h s ALA 15 N -2.00 1.62 0.00 3.52 0.00 -1.26 -5.06 121.76 118.57 3f1h s ALA 15 Ca 0.00 -0.83 0.00 0.00 0.00 0.00 0.00 51.96 51.13 3f1h s ALA 15 Cb 0.00 -1.07 0.00 0.00 0.00 0.00 0.00 23.12 22.05 3f1h s ALA 15 CO 0.00 -0.58 0.00 0.09 0.00 0.00 0.00 175.76 175.27 3f1h n ASN 16 N 4.84 0.00 -3.45 0.00 5.03 -1.26 -4.15 115.26 116.26 3f1h n ASN 16 Ca -0.14 0.00 -0.14 0.00 0.87 0.00 0.00 54.58 55.17 3f1h n ASN 16 Cb 0.49 0.00 -0.11 0.00 -1.02 0.00 0.00 39.78 39.14 3f1h n ASN 16 CO 0.00 0.00 0.00 -0.44 -1.83 0.00 0.00 177.26 174.99 3f1h s SER 17 N -1.42 0.84 0.01 6.41 0.01 -1.26 -4.33 113.70 113.96 3f1h s SER 17 Ca 0.00 0.03 -0.24 0.00 1.31 0.00 0.00 55.95 57.05 3f1h s SER 17 Cb 0.00 0.70 -0.05 0.00 0.21 0.00 0.00 66.02 66.88 3f1h s SER 17 CO 0.00 -0.31 0.72 0.27 0.41 0.00 0.00 173.24 174.33 3f1h s ILE 18 N 2.42 4.84 -0.57 1.44 -0.00 -1.12 -4.85 121.20 123.35 3f1h s ILE 18 Ca 0.09 1.51 -0.19 0.00 -0.00 0.00 0.00 60.65 62.06 3f1h s ILE 18 Cb -0.15 -4.06 0.09 0.00 -0.00 0.00 0.00 42.46 38.33 3f1h s ILE 18 CO -0.13 0.35 0.69 -1.10 -0.00 0.00 0.00 174.94 174.75 3f1h s GLN 19 N 0.11 3.07 -0.05 0.37 -0.21 -1.26 -0.81 119.66 120.88 3f1h s GLN 19 Ca 0.37 -1.17 0.01 0.00 0.02 0.00 0.00 55.36 54.59 3f1h s GLN 19 Cb -0.19 -4.22 0.02 0.00 1.00 0.00 0.00 33.01 29.62 3f1h s GLN 19 CO 0.21 -1.46 -0.05 1.03 -2.12 0.00 0.00 175.29 172.89 3f1h s ARG 20 N 2.74 0.95 0.89 2.91 0.52 -0.15 -4.87 118.95 121.94 3f1h s ARG 20 Ca 0.13 -0.14 -0.11 0.00 -0.52 0.00 0.00 55.73 55.09 3f1h s ARG 20 Cb -0.22 -0.95 0.13 0.00 0.52 0.00 0.00 34.95 34.42 3f1h s ARG 20 CO 0.08 -0.09 1.09 -0.98 0.02 0.00 0.00 175.30 175.42 3f1h s ARG 21 N 0.98 1.29 -0.13 3.54 3.03 -1.26 -4.00 118.95 122.40 3f1h s ARG 21 Ca -0.10 0.94 -0.00 0.00 2.03 0.00 0.00 55.73 58.60 3f1h s ARG 21 Cb -0.14 -1.80 0.03 0.00 -1.03 0.00 0.00 34.95 32.00 3f1h s ARG 21 CO -0.00 -2.25 -0.09 0.20 -1.13 0.00 0.00 175.30 172.03 3f1h s GLY 22 N -3.31 0.96 -0.21 3.88 0.00 -0.33 -4.84 107.32 103.46 3f1h s GLY 22 Ca 0.64 -0.72 -0.03 0.00 0.00 0.00 0.00 44.72 44.60 3f1h s GLY 22 CO 0.57 0.73 -0.08 -1.59 0.00 0.00 0.00 173.10 172.74 3f1h s LYS 23 N 1.62 3.28 -0.04 2.90 -2.85 -1.26 -2.60 119.74 120.79 3f1h s LYS 23 Ca 0.04 -0.67 -0.18 0.00 -1.00 0.00 0.00 55.97 54.16 3f1h s LYS 23 Cb -0.13 -2.90 -0.05 0.00 -2.06 0.00 0.00 37.83 32.69 3f1h s LYS 23 CO -0.09 -0.20 0.48 0.00 0.10 0.00 0.00 175.35 175.65 3f1h s ALA 24 N 1.42 3.56 0.14 0.59 0.00 0.19 -4.92 121.76 122.75 3f1h s ALA 24 Ca 0.05 -0.14 0.05 0.00 0.00 0.00 0.00 51.96 51.93 3f1h s ALA 24 Cb -0.14 -2.57 -0.04 0.00 0.00 0.00 0.00 23.12 20.36 3f1h s ALA 24 CO -0.06 0.23 -0.11 -1.59 0.00 0.00 0.00 175.76 174.24 3f1h s LYS 25 N -0.28 1.04 0.01 0.00 -2.85 -1.26 -1.15 119.74 115.25 3f1h s LYS 25 Ca 0.26 -1.38 0.07 0.00 -1.00 0.00 0.00 55.97 53.93 3f1h s LYS 25 Cb -0.17 -0.69 -0.02 0.00 -2.06 0.00 0.00 37.83 34.89 3f1h s LYS 25 CO 0.13 0.10 -0.22 0.50 0.10 0.00 0.00 175.35 175.97 3f1h s ARG 26 N -3.41 1.63 -0.06 1.78 3.52 -1.06 -4.96 118.95 116.38 3f1h s ARG 26 Ca 0.14 -0.86 -0.32 0.00 -0.13 0.00 0.00 55.73 54.57 3f1h s ARG 26 Cb 0.00 -1.65 0.13 0.00 -1.56 0.00 0.00 34.95 31.87 3f1h s ARG 26 CO 0.01 0.44 1.29 -1.83 -0.81 0.00 0.00 175.30 174.40 3f1h s GLU 27 N -0.79 0.34 0.00 5.12 1.03 -1.26 -0.65 118.70 122.49 3f1h s GLU 27 Ca 0.08 -0.18 0.00 0.00 0.03 0.00 0.00 54.97 54.91 3f1h s GLU 27 Cb -0.09 0.12 0.00 0.00 -0.80 0.00 0.00 34.13 33.37 3f1h s GLU 27 CO 0.00 -0.15 0.00 0.41 -1.33 0.00 0.00 175.26 174.19 3f1h n GLY 28 N -0.40 -0.11 0.00 -3.83 0.00 -0.51 -4.98 105.19 95.35 3f1h n GLY 28 Ca -0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.95 3f1h n GLY 28 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3f1h n GLY 29 N 3.18 1.06 0.92 -0.02 0.00 0.44 -4.83 105.19 105.94 3f1h n GLY 29 Ca 0.00 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.07 3f1h n GLY 29 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3f1h n VAL 30 N -0.05 2.34 0.00 1.61 0.31 -1.26 -4.67 118.33 116.61 3f1h n VAL 30 Ca 0.00 -2.12 0.00 0.00 -0.01 0.00 0.00 64.34 62.21 3f1h n VAL 30 Cb 0.00 -0.28 0.00 0.00 -0.91 0.00 0.00 33.84 32.65 3f1h n VAL 30 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3f1h n GLY 31 N -0.74 0.08 0.00 2.92 0.00 -1.26 -5.17 105.19 101.02 3f1h n GLY 31 Ca 0.24 -0.05 0.00 0.00 0.00 0.00 0.00 46.02 46.22 3f1h n GLY 31 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3f1h n LYS 32 N -0.75 -1.13 -3.26 1.61 4.81 -1.26 -4.96 118.16 113.21 3f1h n LYS 32 Ca 0.00 0.00 0.03 0.00 -0.87 0.00 0.00 58.31 57.47 3f1h n LYS 32 Cb 0.00 0.00 -0.04 0.00 0.02 0.00 0.00 35.03 35.01 3f1h n LYS 32 CO 0.00 0.00 0.00 0.21 1.17 0.00 0.00 177.40 178.78 3f1h s LYS 33 N -1.59 0.14 0.00 1.64 2.20 -1.26 -0.42 119.74 120.45 3f1h s LYS 33 Ca 0.00 0.34 0.00 0.00 -0.36 0.00 0.00 55.97 55.95 3f1h s LYS 33 Cb 0.00 0.21 0.00 0.00 -1.51 0.00 0.00 37.83 36.53 3f1h s LYS 33 CO 0.00 -0.05 0.00 0.25 -0.36 0.00 0.00 175.35 175.19 3f1h n THR 34 N 4.75 0.00 -4.10 3.43 -2.24 0.18 -4.97 114.28 111.33 3f1h n THR 34 Ca -0.07 0.00 -0.16 0.00 -2.27 0.00 0.00 64.05 61.55 3f1h n THR 34 Cb 0.54 0.00 -0.04 0.00 -2.10 0.00 0.00 70.33 68.73 3f1h n THR 34 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 3f1h n THR 35 N 0.00 0.00 -3.65 4.28 -2.24 -1.26 -2.57 114.28 108.84 3f1h n THR 35 Ca 0.00 -1.93 0.01 0.00 -2.27 0.00 0.00 64.05 59.87 3f1h n THR 35 Cb 0.00 1.15 -0.06 0.00 -2.10 0.00 0.00 70.33 69.32 3f1h n THR 35 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 3f1h s GLY 36 N -3.26 0.54 -0.11 3.38 0.00 -0.30 -4.91 107.32 102.66 3f1h s GLY 36 Ca 0.31 3.73 -0.08 0.00 0.00 0.00 0.00 44.72 48.69 3f1h s GLY 36 CO 0.22 2.70 0.28 -1.50 0.00 0.00 0.00 173.10 174.80 3f1h s ILE 37 N 1.01 -0.02 -0.02 0.90 2.07 -1.26 0.57 121.20 124.45 3f1h s ILE 37 Ca -0.07 0.07 -0.16 0.00 -1.41 0.00 0.00 60.65 59.07 3f1h s ILE 37 Cb -0.03 -0.41 0.03 0.00 0.13 0.00 0.00 42.46 42.18 3f1h s ILE 37 CO -0.11 0.03 0.35 -0.55 -1.91 0.00 0.00 174.94 172.75 3f1h s SER 38 N 0.74 -0.24 0.56 4.50 0.15 -1.07 -5.00 113.70 113.33 3f1h s SER 38 Ca -0.05 0.17 -0.19 0.00 0.70 0.00 0.00 55.95 56.58 3f1h s SER 38 Cb -0.06 0.35 -0.05 0.00 -1.71 0.00 0.00 66.02 64.55 3f1h s SER 38 CO -0.05 -0.45 1.13 -0.54 1.20 0.00 0.00 173.24 174.53 3f1h s LYS 39 N -1.26 3.27 -0.11 5.44 1.02 -1.26 -1.19 119.74 125.65 3f1h s LYS 39 Ca -0.13 1.58 -0.30 0.00 0.02 0.00 0.00 55.97 57.14 3f1h s LYS 39 Cb -0.05 -2.00 0.09 0.00 -0.52 0.00 0.00 37.83 35.36 3f1h s LYS 39 CO 0.05 -0.91 0.82 0.50 -0.92 0.00 0.00 175.35 174.89 3f1h s ARG 40 N -3.41 0.85 -0.24 1.68 3.00 -1.26 -4.78 118.95 114.79 3f1h s ARG 40 Ca 0.72 0.25 -0.08 0.00 -1.00 0.00 0.00 55.73 55.61 3f1h s ARG 40 Cb -0.23 0.40 -0.04 0.00 0.00 0.00 0.00 34.95 35.08 3f1h s ARG 40 CO 0.29 -0.26 0.10 0.50 0.00 0.00 0.00 175.30 175.93 3f1h s ARG 41 N -1.06 3.81 -0.27 5.12 3.52 -1.26 -0.98 118.95 127.83 3f1h s ARG 41 Ca -0.06 -0.40 -0.17 0.00 -0.13 0.00 0.00 55.73 54.97 3f1h s ARG 41 Cb -0.00 -3.38 -0.03 0.00 -1.56 0.00 0.00 34.95 29.98 3f1h s ARG 41 CO 0.06 -0.06 0.45 -0.65 -0.81 0.00 0.00 175.30 174.29 3f1h s GLN 42 N 1.32 4.02 0.18 5.12 -0.21 0.01 -4.96 119.66 125.15 3f1h s GLN 42 Ca 0.06 0.17 -0.08 0.00 0.02 0.00 0.00 55.36 55.53 3f1h s GLN 42 Cb -0.15 -3.66 -0.06 0.00 1.00 0.00 0.00 33.01 30.14 3f1h s GLN 42 CO 0.05 -0.34 0.47 0.71 -2.12 0.00 0.00 175.29 174.05 3f1h s TYR 43 N 2.21 3.46 -0.25 0.91 1.51 -1.26 -2.81 117.35 121.12 3f1h s TYR 43 Ca 0.18 0.74 -0.25 0.00 -1.01 0.00 0.00 57.07 56.73 3f1h s TYR 43 Cb -0.16 -2.15 -0.00 0.00 -0.11 0.00 0.00 41.96 39.54 3f1h s TYR 43 CO 0.10 0.36 0.84 -1.25 -1.11 0.00 0.00 175.55 174.48 3f1h s PRO 44 N -2.68 4.17 0.01 -1.71 0.04 -1.26 -4.99 135.00 128.58 3f1h s PRO 44 Ca 0.44 0.93 -0.37 0.00 0.04 0.00 0.00 61.00 62.04 3f1h s PRO 44 Cb -0.12 -3.65 -0.15 0.00 0.04 0.00 0.00 34.50 30.61 3f1h s PRO 44 CO 0.22 -0.54 1.53 -1.71 0.04 0.00 0.00 177.00 176.54 3f1h n ASN 45 N 6.05 2.26 -3.69 6.66 4.05 -1.26 -4.88 115.26 124.45 3f1h n ASN 45 Ca 0.06 1.09 -0.11 0.00 0.45 0.00 0.00 54.58 56.07 3f1h n ASN 45 Cb 0.47 -1.24 -0.11 0.00 1.23 0.00 0.00 39.78 40.13 3f1h n ASN 45 CO 0.00 0.00 0.00 -0.22 -3.05 0.00 0.00 177.26 173.99 3f1h s LEU 46 N 1.57 -0.10 0.15 1.20 0.20 -1.26 -0.84 118.68 119.60 3f1h s LEU 46 Ca 0.87 0.80 0.00 0.00 0.69 0.00 0.00 54.13 56.50 3f1h s LEU 46 Cb -0.90 1.15 -0.04 0.00 -0.43 0.00 0.00 46.19 45.97 3f1h s LEU 46 CO 0.50 -0.20 0.03 -1.10 -0.29 0.00 0.00 176.35 175.28 3f1h s GLN 47 N 1.67 1.01 0.12 1.98 -1.52 0.21 -4.89 119.66 118.24 3f1h s GLN 47 Ca -0.07 -1.48 -0.12 0.00 -1.95 0.00 0.00 55.36 51.73 3f1h s GLN 47 Cb -0.10 -0.02 -0.06 0.00 -0.22 0.00 0.00 33.01 32.61 3f1h s GLN 47 CO -0.11 -0.19 0.49 0.15 -0.25 0.00 0.00 175.29 175.38 3f1h s LYS 48 N -3.98 3.89 -0.17 2.91 1.02 -1.26 -1.61 119.74 120.55 3f1h s LYS 48 Ca 0.23 0.37 -0.01 0.00 0.02 0.00 0.00 55.97 56.58 3f1h s LYS 48 Cb 0.07 -2.95 0.05 0.00 -0.52 0.00 0.00 37.83 34.48 3f1h s LYS 48 CO 0.02 0.50 -0.03 0.08 -0.92 0.00 0.00 175.35 175.01 3f1h s VAL 49 N -1.45 0.94 -0.02 3.17 1.01 -0.38 -4.93 120.40 118.75 3f1h s VAL 49 Ca 0.36 -0.61 -0.13 0.00 0.00 0.00 0.00 61.98 61.60 3f1h s VAL 49 Cb -0.14 -1.21 -0.05 0.00 0.00 0.00 0.00 36.38 34.97 3f1h s VAL 49 CO 0.19 0.03 0.36 -0.13 0.00 0.00 0.00 175.10 175.56 3f1h s ARG 50 N 1.69 3.83 0.17 2.72 0.52 -1.26 -0.65 118.95 125.98 3f1h s ARG 50 Ca -0.00 0.32 -0.19 0.00 -0.52 0.00 0.00 55.73 55.34 3f1h s ARG 50 Cb -0.16 -3.21 0.04 0.00 0.52 0.00 0.00 34.95 32.15 3f1h s ARG 50 CO -0.07 0.70 0.52 0.54 0.02 0.00 0.00 175.30 177.01 3f1h s VAL 51 N -1.08 0.03 0.00 3.52 0.11 -0.89 -5.01 120.40 117.08 3f1h s VAL 51 Ca 0.23 -0.49 0.00 0.00 -2.93 0.00 0.00 61.98 58.78 3f1h s VAL 51 Cb -0.16 -1.31 0.00 0.00 -1.53 0.00 0.00 36.38 33.38 3f1h s VAL 51 CO 0.12 -0.13 0.00 0.54 -3.33 0.00 0.00 175.10 172.30 3f1h n ARG 52 N -0.33 0.00 -2.45 1.54 5.12 -1.26 -1.96 116.66 117.32 3f1h n ARG 52 Ca -0.13 0.20 -0.02 0.00 -1.93 0.00 0.00 57.85 55.97 3f1h n ARG 52 Cb 0.63 -0.63 0.00 0.00 -1.16 0.00 0.00 32.46 31.30 3f1h n ARG 52 CO 0.00 0.00 0.00 0.28 -1.93 0.00 0.00 177.63 175.98 3f1h n VAL 53 N -1.64 -9.46 -1.65 1.55 0.31 -1.26 -4.26 118.33 101.92 3f1h n VAL 53 Ca 0.00 1.22 0.00 0.00 -0.01 0.00 0.00 64.34 65.55 3f1h n VAL 53 Cb 0.00 -6.30 0.00 0.00 -0.91 0.00 0.00 33.84 26.63 3f1h n VAL 53 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3f1h n ALA 54 N 0.31 0.00 -1.72 3.52 0.00 -1.26 -4.57 120.51 116.79 3f1h n ALA 54 Ca 0.02 0.00 -0.29 0.00 0.00 0.00 0.00 53.44 53.17 3f1h n ALA 54 Cb 0.09 0.00 0.16 0.00 0.00 0.00 0.00 19.45 19.70 3f1h n ALA 54 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 3f1h s GLY 55 N -0.33 1.67 0.33 0.00 0.00 -1.26 -4.95 107.32 102.77 3f1h s GLY 55 Ca 0.00 -0.89 0.00 0.00 0.00 0.00 0.00 44.72 43.83 3f1h s GLY 55 CO 0.00 -0.22 0.00 -1.06 0.00 0.00 0.00 173.10 171.82 3f1h n GLN 56 N -3.80 -2.09 0.00 2.90 1.13 -1.26 -4.99 117.38 109.27 3f1h n GLN 56 Ca 0.11 1.65 0.00 0.00 -1.94 0.00 0.00 57.00 56.82 3f1h n GLN 56 Cb 0.60 -2.15 0.00 0.00 0.11 0.00 0.00 30.24 28.80 3f1h n GLN 56 CO 0.00 0.00 0.00 0.39 -1.44 0.00 0.00 177.06 176.01 3f1h n GLU 57 N -2.48 2.39 0.00 -1.09 1.02 -1.26 -4.40 120.64 114.82 3f1h n GLU 57 Ca -0.02 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.12 3f1h n GLU 57 Cb 0.30 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.72 3f1h n GLU 57 CO 0.00 0.00 0.00 1.51 1.18 0.00 0.00 177.13 179.82 3f1h n ILE 58 N 0.00 0.00 -3.76 -3.67 3.06 -0.83 -4.81 119.36 109.35 3f1h n ILE 58 Ca 0.00 0.00 -0.20 0.00 -2.50 0.00 0.00 62.75 60.05 3f1h n ILE 58 Cb 0.00 0.00 -0.01 0.00 0.54 0.00 0.00 39.64 40.17 3f1h n ILE 58 CO 0.00 0.00 0.00 0.42 -2.50 0.00 0.00 176.55 174.47 3f1h s THR 59 N 0.00 4.77 -0.07 9.51 -4.23 -1.26 -2.09 115.64 122.27 3f1h s THR 59 Ca 0.00 -0.98 -0.02 0.00 -1.18 0.00 0.00 61.69 59.51 3f1h s THR 59 Cb 0.00 -3.68 0.03 0.00 1.34 0.00 0.00 72.50 70.20 3f1h s THR 59 CO 0.00 -0.26 0.02 -0.36 -0.54 0.00 0.00 174.62 173.48 3f1h s PHE 60 N -2.07 0.50 -1.38 3.99 0.08 0.18 -4.93 117.98 114.35 3f1h s PHE 60 Ca 0.39 -0.10 -0.14 0.00 0.12 0.00 0.00 56.93 57.19 3f1h s PHE 60 Cb -0.09 -0.72 0.07 0.00 -0.57 0.00 0.00 43.02 41.71 3f1h s PHE 60 CO 0.30 -0.32 2.00 -2.13 -0.10 0.00 0.00 175.22 174.97 3f1h n ARG 61 N 5.19 3.09 -3.86 0.44 3.00 -1.26 -1.25 116.66 122.01 3f1h n ARG 61 Ca -0.06 -2.99 -0.21 0.00 -0.00 0.00 0.00 57.85 54.59 3f1h n ARG 61 Cb 0.50 -3.28 -0.02 0.00 0.00 0.00 0.00 32.46 29.66 3f1h n ARG 61 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.63 178.17 3f1h s VAL 62 N 2.99 4.88 0.48 5.15 0.11 -0.63 -3.70 120.40 129.67 3f1h s VAL 62 Ca 0.48 -1.03 -0.19 0.00 -2.93 0.00 0.00 61.98 58.30 3f1h s VAL 62 Cb 0.10 -3.70 -0.09 0.00 -1.53 0.00 0.00 36.38 31.15 3f1h s VAL 62 CO -0.02 -0.29 0.98 0.00 -3.33 0.00 0.00 175.10 172.43 3f1h s ALA 63 N -2.04 3.02 0.53 1.54 0.00 -1.26 0.66 121.76 124.22 3f1h s ALA 63 Ca 0.37 0.33 0.23 0.00 0.00 0.00 0.00 51.96 52.88 3f1h s ALA 63 Cb -0.09 -3.15 1.39 0.00 0.00 0.00 0.00 23.12 21.27 3f1h s ALA 63 CO 0.29 -0.10 2.05 0.00 0.00 0.00 0.00 175.76 178.00 3f1h h ALA 64 N 1.40 2.28 0.37 0.00 0.00 -1.33 -2.49 119.26 119.49 3f1h h ALA 64 Ca -0.48 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.40 3f1h h ALA 64 Cb 1.19 0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.01 3f1h h ALA 64 CO 0.61 -0.43 -0.18 0.66 0.00 0.00 0.00 179.25 179.91 3f1h h SER 65 N 0.00 -0.42 -0.48 0.00 4.64 -1.93 -3.27 113.55 112.09 3f1h h SER 65 Ca 0.16 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.47 3f1h h SER 65 Cb 0.67 0.11 0.00 0.00 -0.31 0.00 0.00 62.40 62.87 3f1h h SER 65 CO -0.00 -0.27 0.00 1.41 -0.87 0.00 0.00 176.83 177.10 3f1h n HIS 66 N -5.29 1.41 -0.32 4.77 8.25 -0.95 -4.43 115.22 118.66 3f1h n HIS 66 Ca -0.11 -0.52 0.16 0.00 -0.26 0.00 0.00 57.72 57.00 3f1h n HIS 66 Cb 0.23 -0.31 0.36 0.00 1.12 0.00 0.00 29.99 31.38 3f1h n HIS 66 CO 0.00 0.00 0.00 0.82 0.64 0.00 0.00 176.34 177.80 3f1h h ILE 67 N 3.19 0.44 -0.61 1.59 2.04 -1.60 0.82 117.51 123.37 3f1h h ILE 67 Ca 0.00 -0.14 -0.06 0.00 1.00 0.00 0.00 64.86 65.66 3f1h h ILE 67 Cb 1.43 -0.01 -0.02 0.00 -0.74 0.00 0.00 36.82 37.47 3f1h h ILE 67 CO 0.29 0.08 0.15 1.55 0.00 0.00 0.00 178.15 180.21 3f1h h PRO 68 N 0.41 0.98 -1.01 2.37 0.13 -1.88 -2.84 132.00 130.17 3f1h h PRO 68 Ca 0.62 -0.24 0.23 0.00 -0.87 0.00 0.00 66.00 65.74 3f1h h PRO 68 Cb 1.23 -0.13 -0.12 0.00 0.13 0.00 0.00 31.00 32.12 3f1h h PRO 68 CO -0.54 0.90 0.60 -0.22 -0.23 0.00 0.00 178.00 178.51 3f1h h LYS 69 N 0.90 0.60 -0.51 0.86 1.63 -1.16 0.31 116.57 119.21 3f1h h LYS 69 Ca 0.19 -0.04 0.00 0.00 -0.85 0.00 0.00 60.65 59.96 3f1h h LYS 69 Cb 0.36 -0.14 -0.03 0.00 -0.60 0.00 0.00 32.23 31.83 3f1h h LYS 69 CO 0.00 0.40 0.33 0.28 -3.45 0.00 0.00 179.45 177.01 3f1h h VAL 70 N 0.62 1.13 -0.57 2.00 2.07 -1.37 0.77 116.25 120.91 3f1h h VAL 70 Ca 0.63 -0.25 -0.09 0.00 0.82 0.00 0.00 66.70 67.81 3f1h h VAL 70 Cb 1.16 0.40 -0.02 0.00 -1.52 0.00 0.00 31.29 31.30 3f1h h VAL 70 CO -0.44 0.13 0.02 1.88 0.02 0.00 0.00 177.57 179.18 3f1h h TYR 71 N 0.69 1.08 -0.43 1.57 -1.99 -1.05 -1.26 116.97 115.57 3f1h h TYR 71 Ca 0.19 -0.18 0.11 0.00 2.00 0.00 0.00 58.73 60.84 3f1h h TYR 71 Cb -0.07 -0.28 -0.02 0.00 2.00 0.00 0.00 36.73 38.36 3f1h h TYR 71 CO -0.04 0.96 0.30 1.49 -0.00 0.00 0.00 178.16 180.88 3f1h h GLU 72 N 0.88 0.10 -0.23 4.88 4.22 -0.51 -1.05 114.58 122.87 3f1h h GLU 72 Ca 0.16 -0.01 -0.19 0.00 0.08 0.00 0.00 59.36 59.40 3f1h h GLU 72 Cb 0.52 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.75 3f1h h GLU 72 CO 0.03 0.06 -0.61 -0.07 -2.18 0.00 0.00 179.01 176.24 3f1h h LEU 73 N 0.10 0.94 -1.61 1.64 3.38 0.27 -2.59 115.31 117.44 3f1h h LEU 73 Ca 0.20 -0.57 -0.04 0.00 0.09 0.00 0.00 57.88 57.56 3f1h h LEU 73 Cb 0.68 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 41.15 3f1h h LEU 73 CO -0.02 1.34 -0.21 0.58 0.09 0.00 0.00 178.44 180.22 3f1h h VAL 74 N 0.58 1.03 -0.27 1.22 2.07 -0.45 -1.77 116.25 118.65 3f1h h VAL 74 Ca -0.01 -0.75 -0.13 0.00 0.82 0.00 0.00 66.70 66.63 3f1h h VAL 74 Cb 1.23 1.42 -0.00 0.00 -1.52 0.00 0.00 31.29 32.41 3f1h h VAL 74 CO 0.13 0.21 -0.33 -0.08 0.02 0.00 0.00 177.57 177.52 3f1h h GLU 75 N 0.00 0.71 0.00 1.57 4.57 -1.07 -2.35 114.58 118.01 3f1h h GLU 75 Ca -0.00 -0.40 0.00 0.00 -1.18 0.00 0.00 59.36 57.78 3f1h h GLU 75 Cb 0.40 0.03 0.00 0.00 -0.16 0.00 0.00 28.75 29.02 3f1h h GLU 75 CO 0.03 1.02 0.00 0.00 -1.18 0.00 0.00 179.01 178.87 3f1h h ARG 76 N 0.45 0.00 0.00 1.92 3.08 -1.07 -2.82 114.38 115.93 3f1h h ARG 76 Ca 0.04 0.00 -0.04 0.00 0.07 0.00 0.00 59.98 60.05 3f1h h ARG 76 Cb 0.91 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.96 3f1h h ARG 76 CO 0.08 0.00 -0.30 0.00 -1.07 0.00 0.00 179.97 178.68 3f1h h ALA 77 N 2.21 0.84 -0.63 0.04 0.00 -0.79 -3.20 119.26 117.74 3f1h h ALA 77 Ca 0.00 -0.16 -0.05 0.00 0.00 0.00 0.00 54.91 54.70 3f1h h ALA 77 Cb 0.42 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.17 3f1h h ALA 77 CO 0.00 0.21 0.20 0.87 0.00 0.00 0.00 179.25 180.52 3f1h h LYS 78 N 0.00 0.95 0.00 0.00 1.79 -1.28 0.79 116.57 118.82 3f1h h LYS 78 Ca -0.01 -0.18 0.00 0.00 -2.18 0.00 0.00 60.65 58.28 3f1h h LYS 78 Cb 1.13 -0.15 0.00 0.00 -1.58 0.00 0.00 32.23 31.63 3f1h h LYS 78 CO 0.02 0.81 0.00 0.41 -1.08 0.00 0.00 179.45 179.61 3f1h n GLY 79 N -0.88 -0.62 3.73 3.86 0.00 -1.21 -4.79 105.19 105.27 3f1h n GLY 79 Ca 0.05 -0.10 -0.31 0.00 0.00 0.00 0.00 46.02 45.66 3f1h n GLY 79 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3f1h s LEU 80 N -1.79 3.63 -0.45 0.99 0.20 0.27 -5.09 118.68 116.45 3f1h s LEU 80 Ca 0.24 -0.07 -0.18 0.00 0.69 0.00 0.00 54.13 54.80 3f1h s LEU 80 Cb 0.11 -2.30 0.03 0.00 -0.43 0.00 0.00 46.19 43.60 3f1h s LEU 80 CO 0.18 0.19 0.52 -0.60 -0.29 0.00 0.00 176.35 176.36 3f1h s ARG 81 N -2.22 3.13 0.22 1.98 3.52 -1.26 -5.01 118.95 119.32 3f1h s ARG 81 Ca 0.26 -0.74 -0.05 0.00 -0.13 0.00 0.00 55.73 55.07 3f1h s ARG 81 Cb -0.12 -4.00 -0.03 0.00 -1.56 0.00 0.00 34.95 29.24 3f1h s ARG 81 CO 0.19 -0.98 0.26 -0.51 -0.81 0.00 0.00 175.30 173.44 3f1h s LEU 82 N 2.38 0.86 0.00 -0.88 1.02 -1.26 -5.11 118.68 115.69 3f1h s LEU 82 Ca 0.15 -1.23 0.00 0.00 0.02 0.00 0.00 54.13 53.06 3f1h s LEU 82 Cb -0.17 0.88 0.00 0.00 0.02 0.00 0.00 46.19 46.92 3f1h s LEU 82 CO 0.14 -0.95 0.00 1.21 0.02 0.00 0.00 176.35 176.77 3f1h n GLU 83 N -0.32 0.00 -3.30 1.70 2.13 -1.26 -5.01 120.64 114.59 3f1h n GLU 83 Ca 0.01 0.00 -0.24 0.00 0.66 0.00 0.00 57.16 57.59 3f1h n GLU 83 Cb 0.64 0.00 0.05 0.00 0.27 0.00 0.00 31.44 32.40 3f1h n GLU 83 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3f1h n GLY 84 N 0.00 -0.53 3.83 8.31 0.00 -1.26 -2.51 105.19 113.03 3f1h n GLY 84 Ca 0.00 0.18 -0.28 0.00 0.00 0.00 0.00 46.02 45.92 3f1h n GLY 84 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3f1h n LEU 85 N -4.42 -2.48 -3.57 0.99 4.77 -1.26 -4.89 117.00 106.14 3f1h n LEU 85 Ca -0.06 -1.00 -0.36 0.00 -0.03 0.00 0.00 56.01 54.56 3f1h n LEU 85 Cb 0.59 -2.31 -0.01 0.00 -2.33 0.00 0.00 43.42 39.35 3f1h n LEU 85 CO 0.56 0.46 0.83 -1.20 -1.33 0.00 0.00 177.39 176.70 3f1h n SER 86 N -2.85 5.82 0.00 -1.43 7.64 -1.04 -4.90 113.62 116.86 3f1h n SER 86 Ca -0.22 -3.56 0.00 0.00 1.01 0.00 0.00 58.87 56.09 3f1h n SER 86 Cb 0.65 -0.98 0.00 0.00 -1.01 0.00 0.00 64.21 62.87 3f1h n SER 86 CO 0.00 0.00 0.00 -0.81 -3.01 0.00 0.00 175.04 171.22 3f1h n PRO 87 N 0.49 0.00 0.01 1.43 -0.04 -1.26 -1.07 135.00 134.56 3f1h n PRO 87 Ca 0.34 0.35 -0.04 0.00 -0.04 0.00 0.00 63.50 64.11 3f1h n PRO 87 Cb 0.34 -1.34 0.18 0.00 -0.04 0.00 0.00 33.50 32.64 3f1h n PRO 87 CO 0.00 0.00 0.00 -0.22 -0.04 0.00 0.00 175.50 175.24 3f1h h LYS 88 N 0.00 0.50 -0.39 0.54 3.64 -1.95 -3.17 116.57 115.74 3f1h h LYS 88 Ca 0.00 -0.20 0.02 0.00 -1.27 0.00 0.00 60.65 59.20 3f1h h LYS 88 Cb 0.00 -0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 31.78 3f1h h LYS 88 CO 0.00 0.73 0.26 0.93 -2.27 0.00 0.00 179.45 179.10 3f1h h GLU 89 N 0.43 0.43 0.29 1.90 5.08 -1.90 -2.30 114.58 118.51 3f1h h GLU 89 Ca 0.06 -0.03 -0.01 0.00 -1.00 0.00 0.00 59.36 58.38 3f1h h GLU 89 Cb 0.72 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.87 3f1h h GLU 89 CO 0.05 0.28 -0.14 0.82 -1.00 0.00 0.00 179.01 179.03 3f1h h ILE 90 N 0.44 0.00 -0.47 3.13 1.08 -1.07 0.44 117.51 121.06 3f1h h ILE 90 Ca 0.15 -0.04 0.04 0.00 -0.39 0.00 0.00 64.86 64.63 3f1h h ILE 90 Cb 0.07 0.00 -0.06 0.00 -3.07 0.00 0.00 36.82 33.76 3f1h h ILE 90 CO -0.04 0.00 -0.28 1.17 -0.69 0.00 0.00 178.15 178.32 3f1h n LYS 91 N -3.15 -0.21 0.02 2.37 4.81 -1.05 0.31 118.16 121.26 3f1h n LYS 91 Ca -0.05 0.77 -0.02 0.00 -0.87 0.00 0.00 58.31 58.14 3f1h n LYS 91 Cb 0.15 -1.13 -0.01 0.00 0.02 0.00 0.00 35.03 34.06 3f1h n LYS 91 CO 0.00 0.00 0.00 -0.22 1.17 0.00 0.00 177.40 178.35 3f1h h LYS 92 N 0.00 -0.10 0.00 1.64 1.63 -1.29 0.26 116.57 118.71 3f1h h LYS 92 Ca 0.08 0.01 0.00 0.00 -0.85 0.00 0.00 60.65 59.88 3f1h h LYS 92 Cb 0.19 0.02 0.00 0.00 -0.60 0.00 0.00 32.23 31.85 3f1h h LYS 92 CO -0.44 -0.07 0.02 0.39 -3.45 0.00 0.00 179.45 175.90 3f1h n GLU 93 N -2.80 0.00 -0.64 1.90 -0.58 0.31 -1.52 120.64 117.32 3f1h n GLU 93 Ca -0.01 0.30 -0.11 0.00 -0.42 0.00 0.00 57.16 56.92 3f1h n GLU 93 Cb 0.05 -1.52 0.05 0.00 -0.57 0.00 0.00 31.44 29.45 3f1h n GLU 93 CO 0.00 0.00 0.00 -0.11 -0.48 0.00 0.00 177.13 176.54 3f1h n LEU 94 N -1.29 5.32 0.00 -4.62 0.00 0.92 -5.03 117.00 112.30 3f1h n LEU 94 Ca 0.00 -2.70 0.00 0.00 0.00 0.00 0.00 56.01 53.31 3f1h n LEU 94 Cb 0.02 -0.85 0.00 0.00 0.00 0.00 0.00 43.42 42.59 3f1h n LEU 94 CO 0.00 0.94 0.00 -0.11 0.00 0.00 0.00 177.39 178.22