#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3f1h n LYS 11 N 0.00 1.56 0.00 -0.78 -0.00 -1.26 -4.44 118.16 113.24 3f1h n LYS 11 Ca 0.00 0.57 0.00 0.00 -0.00 0.00 0.00 58.31 58.88 3f1h n LYS 11 Cb 0.00 -2.32 0.00 0.00 -0.00 0.00 0.00 35.03 32.71 3f1h n LYS 11 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.40 177.49 3f1h n ASN 12 N 5.76 0.00 -0.05 -5.58 3.02 -1.26 -5.01 115.26 112.15 3f1h n ASN 12 Ca 0.25 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.80 3f1h n ASN 12 Cb 0.20 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.37 3f1h n ASN 12 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3f1h n GLY 13 N 0.00 -0.17 3.89 7.41 0.00 -1.26 -4.79 105.19 110.27 3f1h n GLY 13 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 3f1h n GLY 13 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3f1h s ARG 14 N -1.90 3.38 -0.13 1.61 0.52 -1.26 -5.09 118.95 116.08 3f1h s ARG 14 Ca 0.00 0.39 -0.34 0.00 -0.52 0.00 0.00 55.73 55.26 3f1h s ARG 14 Cb 0.00 -2.21 0.15 0.00 0.52 0.00 0.00 34.95 33.41 3f1h s ARG 14 CO 0.00 -0.52 1.42 0.34 0.02 0.00 0.00 175.30 176.56 3f1h s ASP 15 N -4.20 -0.01 0.37 0.23 3.68 -1.26 -5.17 116.67 110.31 3f1h s ASP 15 Ca 0.52 -0.01 0.07 0.00 2.13 0.00 0.00 52.55 55.26 3f1h s ASP 15 Cb -0.11 0.02 -0.01 0.00 -1.45 0.00 0.00 42.92 41.38 3f1h s ASP 15 CO 0.49 -0.04 0.45 -0.94 0.13 0.00 0.00 175.17 175.26 3f1h s SER 16 N -2.80 5.60 0.32 -0.34 1.04 -1.26 -5.10 113.70 111.17 3f1h s SER 16 Ca 0.14 -0.40 -0.19 0.00 0.48 0.00 0.00 55.95 55.98 3f1h s SER 16 Cb 0.06 -0.91 -0.09 0.00 0.10 0.00 0.00 66.02 65.18 3f1h s SER 16 CO -0.06 -0.55 0.81 0.00 0.98 0.00 0.00 173.24 174.43 3f1h s GLN 17 N -4.19 4.21 0.42 4.02 -2.07 -1.26 -4.99 119.66 115.79 3f1h s GLN 17 Ca 0.48 0.92 -0.27 0.00 -1.82 0.00 0.00 55.36 54.67 3f1h s GLN 17 Cb -0.08 -2.55 -0.10 0.00 -1.09 0.00 0.00 33.01 29.19 3f1h s GLN 17 CO 0.30 0.20 1.47 0.00 -1.32 0.00 0.00 175.29 175.94 3f1h s ALA 18 N -1.85 3.41 -1.60 2.60 0.00 -1.26 -4.92 121.76 118.15 3f1h s ALA 18 Ca 0.52 1.54 0.23 0.00 0.00 0.00 0.00 51.96 54.25 3f1h s ALA 18 Cb -0.13 -3.61 0.03 0.00 0.00 0.00 0.00 23.12 19.41 3f1h s ALA 18 CO 0.18 -1.15 1.09 1.63 0.00 0.00 0.00 175.76 177.52 3f1h n LYS 19 N 0.12 0.70 -3.31 0.00 4.76 -1.26 -5.02 118.16 114.14 3f1h n LYS 19 Ca 0.03 -0.56 -0.27 0.00 -2.87 0.00 0.00 58.31 54.65 3f1h n LYS 19 Cb 0.40 -1.49 0.03 0.00 -1.84 0.00 0.00 35.03 32.13 3f1h n LYS 19 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 3f1h n ARG 20 N -0.67 -1.87 -4.27 1.97 1.74 -1.26 -5.00 116.66 107.30 3f1h n ARG 20 Ca 0.08 1.54 -0.15 0.00 -0.77 0.00 0.00 57.85 58.55 3f1h n ARG 20 Cb 0.40 -2.74 -0.10 0.00 -1.02 0.00 0.00 32.46 29.00 3f1h n ARG 20 CO 0.00 0.00 0.00 -0.48 -1.52 0.00 0.00 177.63 175.63 3f1h s LEU 21 N -2.27 2.18 0.00 0.55 0.05 -1.26 -5.05 118.68 112.88 3f1h s LEU 21 Ca 0.30 -1.17 0.00 0.00 0.05 0.00 0.00 54.13 53.31 3f1h s LEU 21 Cb -0.04 -0.15 0.00 0.00 -2.05 0.00 0.00 46.19 43.95 3f1h s LEU 21 CO 0.74 -0.53 0.00 0.61 -0.55 0.00 0.00 176.35 176.63 3f1h n GLY 22 N -0.29 -0.02 3.73 -3.48 0.00 0.19 -4.99 105.19 100.34 3f1h n GLY 22 Ca -0.06 -1.63 -0.42 0.00 0.00 0.00 0.00 46.02 43.91 3f1h n GLY 22 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3f1h s VAL 23 N -2.38 3.38 -0.21 1.61 1.01 -1.26 -0.60 120.40 121.94 3f1h s VAL 23 Ca 0.00 1.09 0.13 0.00 0.00 0.00 0.00 61.98 63.20 3f1h s VAL 23 Cb 0.00 -3.69 -0.22 0.00 0.00 0.00 0.00 36.38 32.46 3f1h s VAL 23 CO 0.00 0.14 -0.02 0.29 0.00 0.00 0.00 175.10 175.51 3f1h n LYS 24 N 3.02 0.71 -4.78 2.72 4.76 0.12 -4.92 118.16 119.79 3f1h n LYS 24 Ca 0.07 0.04 -0.26 0.00 -2.87 0.00 0.00 58.31 55.28 3f1h n LYS 24 Cb 0.43 -1.51 -0.17 0.00 -1.84 0.00 0.00 35.03 31.95 3f1h n LYS 24 CO 0.00 0.00 0.00 1.03 -1.37 0.00 0.00 177.40 177.06 3f1h s ARG 25 N -2.49 2.00 0.57 1.97 3.00 -0.70 -4.99 118.95 118.31 3f1h s ARG 25 Ca -0.17 -0.56 0.02 0.00 0.00 0.00 0.00 55.73 55.02 3f1h s ARG 25 Cb 0.07 -1.63 0.05 0.00 0.00 0.00 0.00 34.95 33.44 3f1h s ARG 25 CO 0.75 0.12 0.79 0.71 0.00 0.00 0.00 175.30 177.67 3f1h s TYR 26 N 0.43 2.53 0.15 -0.53 4.12 -1.26 -4.87 117.35 117.92 3f1h s TYR 26 Ca -0.13 -0.16 -0.31 0.00 0.02 0.00 0.00 57.07 56.49 3f1h s TYR 26 Cb -0.15 -2.71 -0.09 0.00 -1.52 0.00 0.00 41.96 37.48 3f1h s TYR 26 CO 0.04 -0.98 1.48 -2.00 0.02 0.00 0.00 175.55 174.11 3f1h s GLU 27 N -4.77 4.26 0.00 -0.62 2.12 -1.26 -3.38 118.70 115.05 3f1h s GLU 27 Ca 0.59 2.24 0.00 0.00 0.36 0.00 0.00 54.97 58.16 3f1h s GLU 27 Cb -0.09 -3.19 0.00 0.00 0.26 0.00 0.00 34.13 31.11 3f1h s GLU 27 CO 0.39 -0.52 0.00 0.41 -0.54 0.00 0.00 175.26 175.00 3f1h n GLY 28 N 3.48 0.60 2.87 -1.50 0.00 0.70 -4.99 105.19 106.35 3f1h n GLY 28 Ca 0.12 -0.40 -0.15 0.00 0.00 0.00 0.00 46.02 45.59 3f1h n GLY 28 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3f1h s GLN 29 N -3.28 0.06 0.62 1.61 0.74 -1.22 -4.95 119.66 113.24 3f1h s GLN 29 Ca 0.00 0.45 -0.19 0.00 0.05 0.00 0.00 55.36 55.67 3f1h s GLN 29 Cb 0.00 -0.23 -0.02 0.00 1.10 0.00 0.00 33.01 33.86 3f1h s GLN 29 CO 0.00 -0.23 1.31 0.08 -0.55 0.00 0.00 175.29 175.89 3f1h s VAL 30 N 1.69 2.08 -0.02 1.34 1.01 -1.26 -2.90 120.40 122.34 3f1h s VAL 30 Ca -0.03 0.05 -0.02 0.00 0.00 0.00 0.00 61.98 61.98 3f1h s VAL 30 Cb -0.12 -3.02 0.00 0.00 0.00 0.00 0.00 36.38 33.24 3f1h s VAL 30 CO -0.06 -0.01 0.05 0.68 0.00 0.00 0.00 175.10 175.77 3f1h s VAL 31 N -1.38 0.00 0.95 2.92 -7.23 0.78 -4.94 120.40 111.50 3f1h s VAL 31 Ca 0.79 -0.02 -0.15 0.00 -1.81 0.00 0.00 61.98 60.79 3f1h s VAL 31 Cb -0.38 -0.09 0.18 0.00 0.56 0.00 0.00 36.38 36.65 3f1h s VAL 31 CO 0.41 -0.01 1.26 -0.13 -0.31 0.00 0.00 175.10 176.32 3f1h s ARG 32 N -0.01 0.81 -0.51 4.82 1.81 -1.26 -2.69 118.95 121.93 3f1h s ARG 32 Ca -0.00 -0.21 -0.26 0.00 -1.72 0.00 0.00 55.73 53.53 3f1h s ARG 32 Cb -0.01 -1.85 -0.07 0.00 -0.45 0.00 0.00 34.95 32.58 3f1h s ARG 32 CO 0.00 -2.33 2.41 0.00 -0.68 0.00 0.00 175.30 174.70 3f1h s ALA 33 N -3.70 1.58 0.00 2.13 0.00 -1.26 -3.45 121.76 117.05 3f1h s ALA 33 Ca 0.70 -0.02 0.00 0.00 0.00 0.00 0.00 51.96 52.64 3f1h s ALA 33 Cb -0.07 -4.36 0.00 0.00 0.00 0.00 0.00 23.12 18.69 3f1h s ALA 33 CO 0.52 -4.54 0.00 0.41 0.00 0.00 0.00 175.76 172.15 3f1h n GLY 34 N 6.04 0.50 3.80 0.00 0.00 -1.05 -4.97 105.19 109.50 3f1h n GLY 34 Ca 0.37 -0.74 -0.35 0.00 0.00 0.00 0.00 46.02 45.30 3f1h n GLY 34 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3f1h s ASN 35 N -2.68 6.93 0.69 1.61 2.20 -1.22 -4.37 114.94 118.09 3f1h s ASN 35 Ca 0.00 1.82 -0.16 0.00 -0.94 0.00 0.00 52.86 53.57 3f1h s ASN 35 Cb 0.00 -2.56 0.01 0.00 -2.00 0.00 0.00 41.25 36.70 3f1h s ASN 35 CO 0.00 -0.37 1.22 -0.63 -2.94 0.00 0.00 177.10 174.39 3f1h s ILE 36 N -1.93 2.33 0.00 0.54 1.01 -1.26 -2.26 121.20 119.63 3f1h s ILE 36 Ca 0.59 0.18 0.00 0.00 0.00 0.00 0.00 60.65 61.42 3f1h s ILE 36 Cb -0.14 -2.87 0.00 0.00 0.01 0.00 0.00 42.46 39.45 3f1h s ILE 36 CO 0.19 -0.07 0.00 0.18 0.00 0.00 0.00 174.94 175.24 3f1h n LEU 37 N -2.33 0.31 -3.65 2.97 4.77 0.11 -4.55 117.00 114.63 3f1h n LEU 37 Ca 0.14 0.00 -0.07 0.00 -0.03 0.00 0.00 56.01 56.04 3f1h n LEU 37 Cb 0.50 0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.51 3f1h n LEU 37 CO 0.47 0.05 0.28 -0.69 -1.33 0.00 0.00 177.39 176.17 3f1h s VAL 38 N -1.63 -0.06 -0.21 4.08 1.01 -0.92 0.14 120.40 122.81 3f1h s VAL 38 Ca 0.00 0.02 -0.05 0.00 0.00 0.00 0.00 61.98 61.96 3f1h s VAL 38 Cb 0.00 -0.92 -0.02 0.00 0.00 0.00 0.00 36.38 35.44 3f1h s VAL 38 CO 0.00 0.01 -0.02 -0.13 0.00 0.00 0.00 175.10 174.96 3f1h s ARG 39 N 1.66 3.50 0.03 2.72 0.52 0.23 -0.89 118.95 126.71 3f1h s ARG 39 Ca -0.10 -0.57 0.01 0.00 -0.52 0.00 0.00 55.73 54.55 3f1h s ARG 39 Cb -0.06 -3.06 -0.02 0.00 0.52 0.00 0.00 34.95 32.33 3f1h s ARG 39 CO -0.18 -0.11 -0.06 1.14 0.02 0.00 0.00 175.30 176.11 3f1h s GLN 40 N 1.28 0.42 0.10 3.54 -2.07 -1.26 -0.64 119.66 121.04 3f1h s GLN 40 Ca 0.04 -0.62 -0.22 0.00 -1.82 0.00 0.00 55.36 52.74 3f1h s GLN 40 Cb -0.14 -0.16 -0.11 0.00 -1.09 0.00 0.00 33.01 31.50 3f1h s GLN 40 CO -0.00 0.02 1.75 0.00 -1.32 0.00 0.00 175.29 175.74 3f1h h ARG 41 N 4.76 0.08 0.00 9.60 3.08 -1.93 -3.44 114.38 126.54 3f1h h ARG 41 Ca -0.33 -0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.71 3f1h h ARG 41 Cb 1.20 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 31.24 3f1h h ARG 41 CO 0.42 0.05 0.00 0.41 -1.07 0.00 0.00 179.97 179.79 3f1h n GLY 42 N -1.12 1.50 2.59 0.04 0.00 -1.26 -4.94 105.19 102.00 3f1h n GLY 42 Ca -0.05 -0.18 -0.16 0.00 0.00 0.00 0.00 46.02 45.63 3f1h n GLY 42 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3f1h n THR 43 N 0.00 1.42 0.31 2.61 -1.04 -1.26 -4.73 114.28 111.59 3f1h n THR 43 Ca 0.00 -3.77 0.19 0.00 -2.04 0.00 0.00 64.05 58.43 3f1h n THR 43 Cb 0.00 -0.03 1.02 0.00 -1.82 0.00 0.00 70.33 69.49 3f1h n THR 43 CO 0.00 0.00 0.00 0.03 -0.64 0.00 0.00 175.07 174.46 3f1h h ARG 44 N 2.87 0.00 -3.86 -2.82 3.08 -1.95 -3.41 114.38 108.29 3f1h h ARG 44 Ca 0.04 0.00 -0.18 0.00 0.07 0.00 0.00 59.98 59.92 3f1h h ARG 44 Cb 1.07 0.00 -0.22 0.00 0.08 0.00 0.00 29.97 30.90 3f1h h ARG 44 CO 0.62 0.00 -0.67 -0.06 -1.07 0.00 0.00 179.97 178.79 3f1h s PHE 45 N -4.30 0.18 0.28 3.04 0.40 -1.26 -4.47 117.98 111.85 3f1h s PHE 45 Ca -0.05 -0.37 0.09 0.00 -0.60 0.00 0.00 56.93 56.00 3f1h s PHE 45 Cb 0.13 -0.14 -0.04 0.00 0.51 0.00 0.00 43.02 43.48 3f1h s PHE 45 CO 0.42 -0.17 0.06 0.15 0.70 0.00 0.00 175.22 176.38 3f1h s LYS 46 N -1.20 2.41 0.00 0.44 1.02 0.22 -4.99 119.74 117.64 3f1h s LYS 46 Ca -0.13 -1.39 0.00 0.00 0.02 0.00 0.00 55.97 54.47 3f1h s LYS 46 Cb -0.08 -2.23 0.00 0.00 -0.52 0.00 0.00 37.83 35.00 3f1h s LYS 46 CO -0.00 0.32 0.00 -0.35 -0.92 0.00 0.00 175.35 174.39 3f1h n PRO 47 N -1.00 2.67 -3.89 -1.68 -0.04 -1.26 -2.68 135.00 127.12 3f1h n PRO 47 Ca -0.06 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.40 3f1h n PRO 47 Cb 0.59 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.05 3f1h n PRO 47 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3f1h n GLY 48 N 0.00 -1.18 3.53 0.55 0.00 -1.08 -2.95 105.19 104.07 3f1h n GLY 48 Ca 0.00 -1.16 -0.47 0.00 0.00 0.00 0.00 46.02 44.40 3f1h n GLY 48 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3f1h n LYS 49 N 0.00 1.56 -3.48 1.61 5.02 -1.26 -1.76 118.16 119.84 3f1h n LYS 49 Ca 0.00 0.43 -0.21 0.00 -2.02 0.00 0.00 58.31 56.51 3f1h n LYS 49 Cb 0.00 -2.85 0.08 0.00 -0.02 0.00 0.00 35.03 32.24 3f1h n LYS 49 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 3f1h n ASN 50 N 10.63 -4.89 -3.43 4.39 3.02 -1.26 -1.91 115.26 121.80 3f1h n ASN 50 Ca 0.35 -0.53 -0.19 0.00 -0.03 0.00 0.00 54.58 54.18 3f1h n ASN 50 Cb 0.34 -4.81 -0.11 0.00 -0.61 0.00 0.00 39.78 34.59 3f1h n ASN 50 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3f1h s VAL 51 N -3.31 -0.35 0.69 2.41 1.01 -0.72 -2.01 120.40 118.11 3f1h s VAL 51 Ca 0.39 -0.48 0.02 0.00 0.00 0.00 0.00 61.98 61.91 3f1h s VAL 51 Cb -0.17 -0.95 0.12 0.00 0.00 0.00 0.00 36.38 35.38 3f1h s VAL 51 CO 0.69 -0.47 0.95 -0.83 0.00 0.00 0.00 175.10 175.44 3f1h s GLY 52 N 2.33 1.74 -0.06 4.51 0.00 -1.18 -2.62 107.32 112.04 3f1h s GLY 52 Ca 0.09 -1.90 -0.06 0.00 0.00 0.00 0.00 44.72 42.85 3f1h s GLY 52 CO -0.31 -1.34 0.17 -3.16 0.00 0.00 0.00 173.10 168.46 3f1h s MET 53 N -5.03 0.23 0.15 2.90 0.23 -1.26 -2.57 119.30 113.96 3f1h s MET 53 Ca 0.66 0.18 0.00 0.00 -1.03 0.00 0.00 55.69 55.50 3f1h s MET 53 Cb -0.05 0.11 0.03 0.00 -1.53 0.00 0.00 34.83 33.39 3f1h s MET 53 CO 0.43 -0.03 0.21 0.41 -2.03 0.00 0.00 175.02 174.01 3f1h n GLY 54 N 2.85 0.99 0.28 3.16 0.00 -0.79 -4.89 105.19 106.79 3f1h n GLY 54 Ca -0.13 -2.01 0.06 0.00 0.00 0.00 0.00 46.02 43.93 3f1h n GLY 54 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3f1h h ARG 55 N 0.00 0.42 -0.52 1.61 3.08 -2.02 0.74 114.38 117.69 3f1h h ARG 55 Ca -0.07 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 59.95 3f1h h ARG 55 Cb 0.27 -0.10 0.00 0.00 0.08 0.00 0.00 29.97 30.22 3f1h h ARG 55 CO 0.08 0.28 0.00 -0.40 -1.07 0.00 0.00 179.97 178.86 3f1h n ASP 56 N -5.01 1.58 -0.30 7.04 5.75 -1.26 -4.83 116.55 119.52 3f1h n ASP 56 Ca 0.15 -2.11 -0.04 0.00 -0.01 0.00 0.00 54.79 52.78 3f1h n ASP 56 Cb 0.43 -0.32 -0.02 0.00 -1.03 0.00 0.00 41.12 40.18 3f1h n ASP 56 CO 0.00 0.00 0.00 0.49 -0.11 0.00 0.00 177.20 177.58 3f1h n PHE 57 N 0.10 0.00 -1.84 2.11 3.72 0.25 -4.59 117.46 117.21 3f1h n PHE 57 Ca 0.07 0.00 -0.35 0.00 -0.05 0.00 0.00 57.45 57.12 3f1h n PHE 57 Cb 0.32 -1.16 0.05 0.00 -0.94 0.00 0.00 39.48 37.74 3f1h n PHE 57 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 176.76 177.70 3f1h s THR 58 N -1.97 2.70 -0.16 4.37 2.01 -1.25 -4.45 115.64 116.88 3f1h s THR 58 Ca 0.00 0.39 0.01 0.00 0.31 0.00 0.00 61.69 62.40 3f1h s THR 58 Cb 0.00 -3.05 0.02 0.00 0.01 0.00 0.00 72.50 69.49 3f1h s THR 58 CO 0.00 -0.14 -0.16 -0.76 -0.69 0.00 0.00 174.62 172.88 3f1h s LEU 59 N -4.46 1.90 0.11 4.42 1.43 -0.07 -1.89 118.68 120.12 3f1h s LEU 59 Ca 0.74 -0.58 0.05 0.00 -1.03 0.00 0.00 54.13 53.31 3f1h s LEU 59 Cb -0.28 -1.29 -0.04 0.00 0.03 0.00 0.00 46.19 44.62 3f1h s LEU 59 CO 0.37 -0.05 -0.11 0.72 0.23 0.00 0.00 176.35 177.51 3f1h s PHE 60 N 1.41 1.20 0.48 0.29 -0.12 -1.06 0.10 117.98 120.28 3f1h s PHE 60 Ca 0.04 -0.63 -0.21 0.00 -0.05 0.00 0.00 56.93 56.08 3f1h s PHE 60 Cb -0.13 -0.64 -0.08 0.00 -0.63 0.00 0.00 43.02 41.54 3f1h s PHE 60 CO -0.11 0.06 1.07 0.00 -0.05 0.00 0.00 175.22 176.19 3f1h s ALA 61 N -2.46 2.88 -0.25 1.99 0.00 -0.96 -3.12 121.76 119.84 3f1h s ALA 61 Ca 0.08 0.70 0.10 0.00 0.00 0.00 0.00 51.96 52.85 3f1h s ALA 61 Cb -0.03 -3.29 -0.14 0.00 0.00 0.00 0.00 23.12 19.66 3f1h s ALA 61 CO 0.01 -0.43 0.33 1.28 0.00 0.00 0.00 175.76 176.96 3f1h n LEU 62 N -0.84 0.24 -4.17 0.00 4.77 -0.85 -2.54 117.00 113.60 3f1h n LEU 62 Ca 0.09 -0.24 -0.15 0.00 -0.03 0.00 0.00 56.01 55.68 3f1h n LEU 62 Cb 0.51 0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 41.53 3f1h n LEU 62 CO 0.42 0.06 -0.05 0.68 -1.33 0.00 0.00 177.39 177.17 3f1h s VAL 63 N -2.37 0.00 0.00 4.08 -7.23 -1.26 -4.65 120.40 108.98 3f1h s VAL 63 Ca -0.00 -1.82 0.00 0.00 -1.81 0.00 0.00 61.98 58.35 3f1h s VAL 63 Cb 0.07 -2.50 0.00 0.00 0.56 0.00 0.00 36.38 34.51 3f1h s VAL 63 CO 0.43 0.00 0.00 0.47 -0.31 0.00 0.00 175.10 175.69 3f1h n ASP 64 N -0.99 0.00 0.00 4.85 9.92 -1.26 -4.32 116.55 124.75 3f1h n ASP 64 Ca 0.03 -0.93 0.00 0.00 -0.53 0.00 0.00 54.79 53.37 3f1h n ASP 64 Cb 0.63 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 41.11 3f1h n ASP 64 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 3f1h n GLY 65 N 5.00 -1.46 3.71 0.44 0.00 -1.10 -4.17 105.19 107.62 3f1h n GLY 65 Ca 0.00 -2.07 -0.27 0.00 0.00 0.00 0.00 46.02 43.68 3f1h n GLY 65 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3f1h s VAL 66 N 0.00 4.00 -0.14 1.61 1.01 -1.18 -0.15 120.40 125.54 3f1h s VAL 66 Ca 0.00 -1.27 -0.15 0.00 0.00 0.00 0.00 61.98 60.56 3f1h s VAL 66 Cb 0.00 -3.01 -0.05 0.00 0.00 0.00 0.00 36.38 33.32 3f1h s VAL 66 CO 0.00 -0.09 0.34 -0.69 0.00 0.00 0.00 175.10 174.66 3f1h s VAL 67 N -1.70 5.27 -0.02 2.92 1.01 -1.14 0.44 120.40 127.18 3f1h s VAL 67 Ca 0.28 0.65 0.02 0.00 0.00 0.00 0.00 61.98 62.93 3f1h s VAL 67 Cb -0.10 -3.67 -0.00 0.00 0.00 0.00 0.00 36.38 32.61 3f1h s VAL 67 CO 0.20 0.39 -0.08 -1.83 0.00 0.00 0.00 175.10 173.78 3f1h s GLU 68 N 0.35 0.77 0.28 2.72 -1.05 0.70 -0.22 118.70 122.25 3f1h s GLU 68 Ca 0.19 -0.28 0.03 0.00 -0.15 0.00 0.00 54.97 54.76 3f1h s GLU 68 Cb -0.14 -0.74 -0.03 0.00 -0.44 0.00 0.00 34.13 32.79 3f1h s GLU 68 CO 0.06 0.14 0.43 -0.06 0.95 0.00 0.00 175.26 176.77 3f1h s PHE 69 N 0.02 3.47 -0.29 4.83 0.40 -1.26 -1.47 117.98 123.68 3f1h s PHE 69 Ca 0.00 0.12 -0.12 0.00 -0.60 0.00 0.00 56.93 56.33 3f1h s PHE 69 Cb -0.06 -1.69 0.11 0.00 0.51 0.00 0.00 43.02 41.89 3f1h s PHE 69 CO -0.00 0.32 0.66 -1.14 0.70 0.00 0.00 175.22 175.76 3f1h s GLN 70 N -4.08 0.62 -0.22 0.44 0.74 -0.84 -4.99 119.66 111.32 3f1h s GLN 70 Ca 0.36 1.35 -0.19 0.00 0.05 0.00 0.00 55.36 56.92 3f1h s GLN 70 Cb -0.09 0.55 -0.03 0.00 1.10 0.00 0.00 33.01 34.55 3f1h s GLN 70 CO 0.32 -0.18 0.58 0.34 -0.55 0.00 0.00 175.29 175.79 3f1h s ASP 71 N 2.36 6.58 -0.43 6.67 2.15 -1.26 -1.07 116.67 131.66 3f1h s ASP 71 Ca -0.08 0.70 0.04 0.00 0.43 0.00 0.00 52.55 53.64 3f1h s ASP 71 Cb -0.09 -2.32 0.48 0.00 -0.30 0.00 0.00 42.92 40.69 3f1h s ASP 71 CO -0.19 -0.27 1.58 0.54 -0.17 0.00 0.00 175.17 176.66 3f1h n ARG 72 N 5.23 2.83 0.00 4.34 1.74 0.12 -5.02 116.66 125.91 3f1h n ARG 72 Ca -0.03 -3.59 0.00 0.00 -0.77 0.00 0.00 57.85 53.46 3f1h n ARG 72 Cb 0.50 -2.18 0.00 0.00 -1.02 0.00 0.00 32.46 29.76 3f1h n ARG 72 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3f1h n GLY 73 N -0.90 3.09 0.53 -0.13 0.00 -1.26 -0.16 105.19 106.37 3f1h n GLY 73 Ca 0.49 0.02 0.34 0.00 0.00 0.00 0.00 46.02 46.87 3f1h n GLY 73 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3f1h h ARG 74 N 0.00 0.00 0.41 1.61 2.47 -2.05 -2.29 114.38 114.53 3f1h h ARG 74 Ca 0.00 0.00 -0.02 0.00 -1.26 0.00 0.00 59.98 58.70 3f1h h ARG 74 Cb 0.00 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.32 3f1h h ARG 74 CO 0.00 0.00 -0.20 -0.07 0.56 0.00 0.00 179.97 180.26 3f1h h LEU 75 N 0.00 -0.47 0.00 3.04 3.38 -0.98 -3.50 115.31 116.78 3f1h h LEU 75 Ca 0.53 -0.11 0.00 0.00 0.09 0.00 0.00 57.88 58.39 3f1h h LEU 75 Cb 2.33 0.12 0.00 0.00 0.09 0.00 0.00 40.66 43.20 3f1h h LEU 75 CO -0.01 -0.06 0.00 0.61 0.09 0.00 0.00 178.44 179.07 3f1h n GLY 76 N -0.14 -1.08 3.45 0.83 0.00 -0.86 -5.02 105.19 102.37 3f1h n GLY 76 Ca -0.09 -1.54 -0.35 0.00 0.00 0.00 0.00 46.02 44.03 3f1h n GLY 76 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3f1h s ARG 77 N -1.76 3.64 0.28 1.61 0.52 -1.26 -0.70 118.95 121.28 3f1h s ARG 77 Ca 0.00 -0.50 0.08 0.00 -0.52 0.00 0.00 55.73 54.79 3f1h s ARG 77 Cb 0.00 -3.16 -0.04 0.00 0.52 0.00 0.00 34.95 32.28 3f1h s ARG 77 CO 0.00 -0.04 0.12 0.71 0.02 0.00 0.00 175.30 176.11 3f1h s TYR 78 N 1.16 2.87 -0.09 -0.53 1.51 -0.24 -0.61 117.35 121.43 3f1h s TYR 78 Ca 0.03 -0.22 -0.04 0.00 -1.01 0.00 0.00 57.07 55.84 3f1h s TYR 78 Cb -0.14 -1.41 0.05 0.00 -0.11 0.00 0.00 41.96 40.35 3f1h s TYR 78 CO 0.02 0.49 0.21 0.08 -1.11 0.00 0.00 175.55 175.24 3f1h s VAL 79 N -2.27 -0.14 0.14 0.71 1.01 -1.09 -1.98 120.40 116.79 3f1h s VAL 79 Ca 0.34 0.21 -0.05 0.00 0.00 0.00 0.00 61.98 62.48 3f1h s VAL 79 Cb -0.06 -0.34 -0.02 0.00 0.00 0.00 0.00 36.38 35.96 3f1h s VAL 79 CO 0.23 0.09 0.17 -1.38 0.00 0.00 0.00 175.10 174.21 3f1h s HIS 80 N 1.58 0.60 -0.26 5.22 -3.43 -0.54 -3.80 115.29 114.67 3f1h s HIS 80 Ca -0.06 -0.98 -0.09 0.00 -0.80 0.00 0.00 55.06 53.14 3f1h s HIS 80 Cb -0.11 -0.26 -0.04 0.00 -1.43 0.00 0.00 32.58 30.74 3f1h s HIS 80 CO -0.07 -0.61 0.12 0.08 -2.00 0.00 0.00 174.74 172.25 3f1h s VAL 81 N -4.00 4.80 -0.87 -5.38 1.01 -0.80 -0.22 120.40 114.95 3f1h s VAL 81 Ca 0.20 -0.01 -0.18 0.00 0.00 0.00 0.00 61.98 61.99 3f1h s VAL 81 Cb 0.05 -3.26 0.14 0.00 0.00 0.00 0.00 36.38 33.32 3f1h s VAL 81 CO 0.00 0.31 1.01 0.00 0.00 0.00 0.00 175.10 176.43 3f1h s ARG 82 N 1.56 3.53 1.25 2.72 1.70 0.17 -4.70 118.95 125.18 3f1h s ARG 82 Ca 0.06 -1.81 -0.15 0.00 -0.47 0.00 0.00 55.73 53.36 3f1h s ARG 82 Cb -0.15 -4.73 0.31 0.00 -0.57 0.00 0.00 34.95 29.81 3f1h s ARG 82 CO 0.06 -1.66 0.93 -0.35 -1.08 0.00 0.00 175.30 173.20 3f1h n PRO 83 N 6.10 -3.07 -3.63 3.89 -0.04 -1.26 -3.13 135.00 133.87 3f1h n PRO 83 Ca 0.18 -0.88 -0.06 0.00 -0.04 0.00 0.00 63.50 62.70 3f1h n PRO 83 Cb 0.48 -2.08 -0.06 0.00 -0.04 0.00 0.00 33.50 31.80 3f1h n PRO 83 CO 0.00 0.00 0.00 -0.48 -0.04 0.00 0.00 175.50 174.98 3f1h s LEU 84 N -7.12 -0.22 0.00 1.53 0.05 -1.26 -4.85 118.68 106.81 3f1h s LEU 84 Ca 0.68 0.35 0.00 0.00 0.05 0.00 0.00 54.13 55.21 3f1h s LEU 84 Cb -0.23 1.48 0.00 0.00 -2.05 0.00 0.00 46.19 45.39 3f1h s LEU 84 CO 0.64 -0.13 0.00 0.00 -0.55 0.00 0.00 176.35 176.31