#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hf9 s ILE 3 N 0.00 2.78 0.04 12.58 -1.09 -0.32 -2.93 121.20 132.26 3hf9 s ILE 3 Ca 0.00 -0.98 0.05 0.00 -2.23 0.00 0.00 60.65 57.48 3hf9 s ILE 3 Cb 0.00 -2.11 -0.02 0.00 -1.58 0.00 0.00 42.46 38.75 3hf9 s ILE 3 CO 0.00 0.48 -0.14 -0.69 -1.23 0.00 0.00 174.94 173.36 3hf9 s VAL 4 N -0.80 1.08 -0.04 2.92 1.01 0.01 -1.37 120.40 123.22 3hf9 s VAL 4 Ca 0.13 -0.97 -0.04 0.00 0.00 0.00 0.00 61.98 61.09 3hf9 s VAL 4 Cb -0.10 -0.98 0.01 0.00 0.00 0.00 0.00 36.38 35.30 3hf9 s VAL 4 CO 0.02 0.01 0.11 0.00 0.00 0.00 0.00 175.10 175.24 3hf9 s ALA 5 N -0.83 -0.26 0.01 5.51 0.00 -0.32 -0.83 121.76 125.03 3hf9 s ALA 5 Ca 0.01 0.23 -0.11 0.00 0.00 0.00 0.00 51.96 52.10 3hf9 s ALA 5 Cb -0.08 -0.14 0.01 0.00 0.00 0.00 0.00 23.12 22.91 3hf9 s ALA 5 CO 0.01 -0.07 0.22 -0.48 0.00 0.00 0.00 175.76 175.44 3hf9 s LEU 6 N -0.15 1.23 0.02 0.00 0.05 -0.11 -1.16 118.68 118.55 3hf9 s LEU 6 Ca -0.02 -0.13 -0.18 0.00 0.05 0.00 0.00 54.13 53.84 3hf9 s LEU 6 Cb -0.02 0.98 -0.06 0.00 -2.05 0.00 0.00 46.19 45.04 3hf9 s LEU 6 CO 0.00 -0.45 0.53 -0.54 -0.55 0.00 0.00 176.35 175.34 3hf9 s LYS 7 N -1.66 4.17 0.38 1.48 1.02 0.12 -0.92 119.74 124.32 3hf9 s LYS 7 Ca -0.12 0.63 0.05 0.00 0.02 0.00 0.00 55.97 56.55 3hf9 s LYS 7 Cb -0.05 -3.27 -0.06 0.00 -0.52 0.00 0.00 37.83 33.92 3hf9 s LYS 7 CO 0.01 0.55 0.04 1.52 -0.92 0.00 0.00 175.35 176.56 3hf9 s TYR 8 N -0.75 2.12 -0.28 3.18 -0.85 -0.67 -4.93 117.35 115.17 3hf9 s TYR 8 Ca 0.28 -0.90 -0.28 0.00 -0.52 0.00 0.00 57.07 55.65 3hf9 s TYR 8 Cb -0.18 -1.46 -0.03 0.00 0.38 0.00 0.00 41.96 40.67 3hf9 s TYR 8 CO 0.16 0.14 1.86 -2.14 -1.52 0.00 0.00 175.55 174.05 3hf9 s PRO 9 N -3.82 3.39 0.00 -3.49 0.02 -1.26 -2.03 135.00 127.81 3hf9 s PRO 9 Ca 0.32 1.62 0.00 0.00 0.02 0.00 0.00 61.00 62.96 3hf9 s PRO 9 Cb 0.08 -4.21 0.00 0.00 0.02 0.00 0.00 34.50 30.39 3hf9 s PRO 9 CO 0.15 -1.80 0.00 0.41 -0.33 0.00 0.00 177.00 175.43 3hf9 n GLY 10 N 5.36 0.54 0.00 0.52 0.00 0.78 -4.73 105.19 107.67 3hf9 n GLY 10 Ca 0.24 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.26 3hf9 n GLY 10 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hf9 n GLY 11 N -1.50 1.10 3.18 -0.02 0.00 -0.86 -4.27 105.19 102.82 3hf9 n GLY 11 Ca 0.00 -0.78 -0.13 0.00 0.00 0.00 0.00 46.02 45.11 3hf9 n GLY 11 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3hf9 s VAL 12 N -2.31 0.89 0.03 1.61 -7.23 -1.01 -1.66 120.40 110.71 3hf9 s VAL 12 Ca 0.00 -1.79 0.06 0.00 -1.81 0.00 0.00 61.98 58.44 3hf9 s VAL 12 Cb 0.00 -1.52 -0.02 0.00 0.56 0.00 0.00 36.38 35.40 3hf9 s VAL 12 CO 0.00 -0.69 -0.17 0.54 -0.31 0.00 0.00 175.10 174.47 3hf9 s VAL 13 N -2.94 1.38 -0.00 1.32 0.11 -0.10 -1.38 120.40 118.78 3hf9 s VAL 13 Ca 0.09 -1.04 0.01 0.00 -2.93 0.00 0.00 61.98 58.11 3hf9 s VAL 13 Cb 0.00 -1.21 -0.00 0.00 -1.53 0.00 0.00 36.38 33.65 3hf9 s VAL 13 CO -0.01 0.15 -0.03 -0.32 -3.33 0.00 0.00 175.10 171.55 3hf9 s MET 14 N -1.04 0.29 0.00 1.54 1.75 -0.53 -0.94 119.30 120.38 3hf9 s MET 14 Ca 0.05 -0.12 -0.09 0.00 -1.25 0.00 0.00 55.69 54.28 3hf9 s MET 14 Cb -0.08 -0.29 0.01 0.00 2.84 0.00 0.00 34.83 37.31 3hf9 s MET 14 CO 0.01 0.07 0.18 0.00 -0.65 0.00 0.00 175.02 174.63 3hf9 s ALA 15 N -0.05 -0.42 -0.10 4.11 0.00 -0.01 -0.69 121.76 124.61 3hf9 s ALA 15 Ca 0.01 -0.05 -0.11 0.00 0.00 0.00 0.00 51.96 51.82 3hf9 s ALA 15 Cb -0.02 0.11 0.03 0.00 0.00 0.00 0.00 23.12 23.24 3hf9 s ALA 15 CO -0.00 -0.22 0.30 0.20 0.00 0.00 0.00 175.76 176.03 3hf9 s GLY 16 N -1.40 -0.21 1.38 0.00 0.00 -0.38 -0.81 107.32 105.91 3hf9 s GLY 16 Ca -0.14 0.75 -0.21 0.00 0.00 0.00 0.00 44.72 45.12 3hf9 s GLY 16 CO 0.02 0.62 0.94 0.51 0.00 0.00 0.00 173.10 175.19 3hf9 s ASP 17 N -0.08 -0.75 0.00 1.64 3.84 -1.15 -1.72 116.67 118.44 3hf9 s ASP 17 Ca -0.02 1.03 0.02 0.00 -0.00 0.00 0.00 52.55 53.58 3hf9 s ASP 17 Cb -0.03 -1.51 0.02 0.00 -1.38 0.00 0.00 42.92 40.03 3hf9 s ASP 17 CO 0.01 -5.20 0.63 0.54 -0.00 0.00 0.00 175.17 171.15 3hf9 n ARG 18 N -5.54 -0.20 -2.59 2.11 5.12 -1.26 -4.55 116.66 109.75 3hf9 n ARG 18 Ca 0.10 -0.76 -0.29 0.00 -1.93 0.00 0.00 57.85 54.97 3hf9 n ARG 18 Cb 0.59 -1.04 -0.01 0.00 -1.16 0.00 0.00 32.46 30.83 3hf9 n ARG 18 CO 0.00 0.00 0.00 0.50 -1.93 0.00 0.00 177.63 176.20 3hf9 s ARG 19 N -0.29 3.66 -0.17 5.56 6.06 -1.26 -1.25 118.95 131.26 3hf9 s ARG 19 Ca 0.03 0.42 -0.15 0.00 -2.50 0.00 0.00 55.73 53.52 3hf9 s ARG 19 Cb 0.02 -2.32 0.05 0.00 0.06 0.00 0.00 34.95 32.75 3hf9 s ARG 19 CO 0.03 -0.20 0.46 -1.54 -2.50 0.00 0.00 175.30 171.54 3hf9 s SER 20 N -3.73 -0.49 0.21 -2.12 1.04 -0.61 -4.85 113.70 103.16 3hf9 s SER 20 Ca 0.50 0.93 0.11 0.00 0.48 0.00 0.00 55.95 57.98 3hf9 s SER 20 Cb -0.10 0.93 -0.05 0.00 0.10 0.00 0.00 66.02 66.90 3hf9 s SER 20 CO 0.41 -0.16 -0.22 0.42 0.98 0.00 0.00 173.24 174.67 3hf9 s THR 21 N 0.34 2.47 -0.66 2.02 -4.23 -1.26 -0.77 115.64 113.55 3hf9 s THR 21 Ca -0.01 -2.09 0.05 0.00 -1.18 0.00 0.00 61.69 58.46 3hf9 s THR 21 Cb -0.04 -2.22 0.16 0.00 1.34 0.00 0.00 72.50 71.75 3hf9 s THR 21 CO -0.01 -0.19 0.44 -1.58 -0.54 0.00 0.00 174.62 172.75 3hf9 s GLN 22 N -2.90 2.35 6.37 3.99 0.74 -0.15 -4.83 119.66 125.24 3hf9 s GLN 22 Ca 0.23 -3.16 0.00 0.00 0.05 0.00 0.00 55.36 52.48 3hf9 s GLN 22 Cb -0.07 -3.41 0.00 0.00 1.10 0.00 0.00 33.01 30.63 3hf9 s GLN 22 CO 0.12 -1.24 0.00 0.41 -0.55 0.00 0.00 175.29 174.03 3hf9 n GLY 23 N 2.27 1.94 0.09 2.59 0.00 -1.26 -3.14 105.19 107.68 3hf9 n GLY 23 Ca 0.16 -0.56 -0.03 0.00 0.00 0.00 0.00 46.02 45.59 3hf9 n GLY 23 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3hf9 n ASN 24 N 7.54 0.81 -4.75 1.61 3.02 -1.26 -4.94 115.26 117.29 3hf9 n ASN 24 Ca 0.00 0.37 -0.41 0.00 -0.03 0.00 0.00 54.58 54.51 3hf9 n ASN 24 Cb 0.00 0.15 -0.02 0.00 -0.61 0.00 0.00 39.78 39.30 3hf9 n ASN 24 CO 0.00 0.00 0.00 -0.04 -2.62 0.00 0.00 177.26 174.60 3hf9 s MET 25 N -2.81 4.34 -0.33 3.52 -1.94 -1.19 -4.98 119.30 115.92 3hf9 s MET 25 Ca -0.04 2.21 -0.26 0.00 -1.71 0.00 0.00 55.69 55.89 3hf9 s MET 25 Cb 0.08 -3.11 0.01 0.00 2.01 0.00 0.00 34.83 33.82 3hf9 s MET 25 CO 0.82 -0.27 0.92 0.42 -0.01 0.00 0.00 175.02 176.90 3hf9 s ILE 26 N -0.52 4.64 -1.33 2.53 1.01 -1.26 -0.98 121.20 125.29 3hf9 s ILE 26 Ca 0.54 1.38 0.16 0.00 0.00 0.00 0.00 60.65 62.73 3hf9 s ILE 26 Cb -0.40 -4.29 -0.04 0.00 0.01 0.00 0.00 42.46 37.75 3hf9 s ILE 26 CO 0.47 -0.40 0.82 -1.54 0.00 0.00 0.00 174.94 174.28 3hf9 n SER 27 N 6.58 1.45 -3.63 3.58 3.41 0.05 -4.92 113.62 120.13 3hf9 n SER 27 Ca 0.07 -1.23 -0.11 0.00 -0.26 0.00 0.00 58.87 57.35 3hf9 n SER 27 Cb 0.48 0.58 -0.07 0.00 -0.26 0.00 0.00 64.21 64.93 3hf9 n SER 27 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 3hf9 s GLY 28 N -2.02 -0.43 0.00 5.00 0.00 -0.81 -4.93 107.32 104.13 3hf9 s GLY 28 Ca 0.12 2.32 0.02 0.00 0.00 0.00 0.00 44.72 47.18 3hf9 s GLY 28 CO 0.45 1.93 0.36 0.54 0.00 0.00 0.00 173.10 176.39 3hf9 n ARG 29 N 2.91 2.47 0.00 2.90 1.74 -1.26 -1.58 116.66 123.85 3hf9 n ARG 29 Ca -0.15 -0.36 0.03 0.00 -0.77 0.00 0.00 57.85 56.61 3hf9 n ARG 29 Cb 0.56 -0.85 0.01 0.00 -1.02 0.00 0.00 32.46 31.16 3hf9 n ARG 29 CO 0.00 0.00 0.00 -0.40 -1.52 0.00 0.00 177.63 175.71 3hf9 n ASP 30 N -0.40 1.18 -4.67 0.55 5.68 -1.16 -4.60 116.55 113.13 3hf9 n ASP 30 Ca 0.01 -1.09 -0.42 0.00 -0.50 0.00 0.00 54.79 52.79 3hf9 n ASP 30 Cb 0.05 0.33 -0.03 0.00 -1.14 0.00 0.00 41.12 40.33 3hf9 n ASP 30 CO 0.00 0.00 0.00 -0.69 -1.33 0.00 0.00 177.20 175.18 3hf9 s VAL 31 N -0.94 2.91 -0.23 2.12 1.01 -0.38 -4.98 120.40 119.91 3hf9 s VAL 31 Ca 0.07 0.03 -0.22 0.00 0.00 0.00 0.00 61.98 61.86 3hf9 s VAL 31 Cb 0.06 -3.02 -0.02 0.00 0.00 0.00 0.00 36.38 33.40 3hf9 s VAL 31 CO 0.15 -0.00 0.70 -0.13 0.00 0.00 0.00 175.10 175.82 3hf9 s ARG 32 N 4.06 4.18 -0.01 2.72 0.52 -1.26 -4.24 118.95 124.92 3hf9 s ARG 32 Ca 0.87 0.72 0.08 0.00 -0.52 0.00 0.00 55.73 56.87 3hf9 s ARG 32 Cb -0.43 -3.62 -0.11 0.00 0.52 0.00 0.00 34.95 31.31 3hf9 s ARG 32 CO 0.40 -0.39 0.24 1.63 0.02 0.00 0.00 175.30 177.21 3hf9 n LYS 33 N 5.56 2.15 -4.05 3.54 5.02 -1.26 -4.72 118.16 124.40 3hf9 n LYS 33 Ca 0.01 -0.04 -0.35 0.00 -2.02 0.00 0.00 58.31 55.91 3hf9 n LYS 33 Cb 0.49 -1.04 -0.12 0.00 -0.02 0.00 0.00 35.03 34.34 3hf9 n LYS 33 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 3hf9 s VAL 34 N -2.18 4.17 0.11 -0.18 1.01 -1.26 -2.57 120.40 119.51 3hf9 s VAL 34 Ca -0.00 -0.24 0.04 0.00 0.00 0.00 0.00 61.98 61.78 3hf9 s VAL 34 Cb 0.05 -2.89 -0.04 0.00 0.00 0.00 0.00 36.38 33.50 3hf9 s VAL 34 CO 0.32 0.43 -0.10 -0.31 0.00 0.00 0.00 175.10 175.44 3hf9 s TYR 35 N 0.91 1.12 -0.27 5.22 1.51 -0.56 -4.98 117.35 120.30 3hf9 s TYR 35 Ca 0.02 -0.72 -0.15 0.00 -1.01 0.00 0.00 57.07 55.21 3hf9 s TYR 35 Cb -0.14 -0.60 -0.03 0.00 -0.11 0.00 0.00 41.96 41.07 3hf9 s TYR 35 CO 0.02 0.01 0.39 0.42 -1.11 0.00 0.00 175.55 175.28 3hf9 s ILE 36 N -2.87 5.16 -0.63 2.71 1.01 -1.26 -1.21 121.20 124.11 3hf9 s ILE 36 Ca 0.10 0.57 0.23 0.00 0.00 0.00 0.00 60.65 61.55 3hf9 s ILE 36 Cb -0.00 -3.72 -0.06 0.00 0.01 0.00 0.00 42.46 38.69 3hf9 s ILE 36 CO -0.00 0.13 1.13 0.35 0.00 0.00 0.00 174.94 176.54 3hf9 n THR 37 N 5.13 0.22 -3.78 2.92 -2.24 -0.83 -4.97 114.28 110.73 3hf9 n THR 37 Ca -0.08 -0.25 -0.02 0.00 -2.27 0.00 0.00 64.05 61.43 3hf9 n THR 37 Cb 0.51 0.11 0.02 0.00 -2.10 0.00 0.00 70.33 68.86 3hf9 n THR 37 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 3hf9 n ASP 38 N -2.00 -1.31 -0.32 3.42 5.75 -1.09 -4.27 116.55 116.74 3hf9 n ASP 38 Ca 0.02 -1.69 -0.04 0.00 -0.01 0.00 0.00 54.79 53.07 3hf9 n ASP 38 Cb 0.43 2.14 0.08 0.00 -1.03 0.00 0.00 41.12 42.74 3hf9 n ASP 38 CO 0.00 0.00 0.00 0.44 -0.11 0.00 0.00 177.20 177.53 3hf9 h ASP 39 N 1.48 1.03 -0.32 -1.12 3.32 -1.96 -3.26 116.42 115.60 3hf9 h ASP 39 Ca -0.21 -0.06 0.00 0.00 0.02 0.00 0.00 57.03 56.78 3hf9 h ASP 39 Cb 0.90 -0.26 0.00 0.00 0.22 0.00 0.00 39.33 40.19 3hf9 h ASP 39 CO 0.28 0.79 0.00 -1.22 -1.72 0.00 0.00 179.24 177.37 3hf9 n TYR 40 N -4.43 0.43 -4.00 4.55 4.02 -1.26 -0.37 117.16 116.10 3hf9 n TYR 40 Ca 0.09 -0.45 -0.09 0.00 -0.01 0.00 0.00 57.90 57.44 3hf9 n TYR 40 Cb 0.06 -0.02 -0.10 0.00 -0.02 0.00 0.00 39.34 39.25 3hf9 n TYR 40 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 176.86 176.80 3hf9 s THR 41 N -0.99 0.15 -0.00 -0.72 -4.23 -1.23 -0.66 115.64 107.95 3hf9 s THR 41 Ca 0.23 -1.24 -0.08 0.00 -1.18 0.00 0.00 61.69 59.42 3hf9 s THR 41 Cb 0.12 -0.84 0.00 0.00 1.34 0.00 0.00 72.50 73.12 3hf9 s THR 41 CO 0.16 -0.68 0.15 0.00 -0.54 0.00 0.00 174.62 173.71 3hf9 s ALA 42 N -2.56 -0.36 0.02 3.99 0.00 0.41 -1.97 121.76 121.29 3hf9 s ALA 42 Ca -0.06 -0.06 0.08 0.00 0.00 0.00 0.00 51.96 51.93 3hf9 s ALA 42 Cb -0.02 0.08 -0.02 0.00 0.00 0.00 0.00 23.12 23.16 3hf9 s ALA 42 CO -0.05 -0.20 -0.24 0.95 0.00 0.00 0.00 175.76 176.21 3hf9 s THR 43 N -1.27 1.96 -0.02 0.00 -4.23 -0.35 -1.07 115.64 110.66 3hf9 s THR 43 Ca -0.13 -1.23 0.07 0.00 -1.18 0.00 0.00 61.69 59.22 3hf9 s THR 43 Cb -0.07 -1.67 -0.02 0.00 1.34 0.00 0.00 72.50 72.09 3hf9 s THR 43 CO 0.02 0.40 -0.22 -0.83 -0.54 0.00 0.00 174.62 173.44 3hf9 s GLY 44 N -0.99 1.09 -0.08 3.99 0.00 -0.51 -1.49 107.32 109.33 3hf9 s GLY 44 Ca 0.10 -0.95 0.02 0.00 0.00 0.00 0.00 44.72 43.89 3hf9 s GLY 44 CO 0.01 -0.76 -0.13 -0.42 0.00 0.00 0.00 173.10 171.80 3hf9 s ILE 45 N -0.47 1.24 -1.49 0.90 1.09 -1.06 -0.91 121.20 120.49 3hf9 s ILE 45 Ca 0.07 -0.52 -0.13 0.00 -1.10 0.00 0.00 60.65 58.97 3hf9 s ILE 45 Cb -0.09 -1.13 0.01 0.00 -1.06 0.00 0.00 42.46 40.19 3hf9 s ILE 45 CO -0.00 0.38 2.40 0.00 -0.10 0.00 0.00 174.94 177.62 3hf9 n ALA 46 N 3.90 6.07 -3.00 9.38 0.00 -1.26 -4.79 120.51 130.81 3hf9 n ALA 46 Ca -0.22 -3.81 0.00 0.00 0.00 0.00 0.00 53.44 49.41 3hf9 n ALA 46 Cb 0.52 -3.46 0.00 0.00 0.00 0.00 0.00 19.45 16.50 3hf9 n ALA 46 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hf9 n GLY 47 N 3.88 4.52 3.66 0.00 0.00 -1.26 -4.92 105.19 111.07 3hf9 n GLY 47 Ca 0.58 -1.27 -0.30 0.00 0.00 0.00 0.00 46.02 45.03 3hf9 n GLY 47 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3hf9 s THR 48 N -1.58 2.38 0.29 2.61 -4.23 -1.26 -4.81 115.64 109.03 3hf9 s THR 48 Ca 0.00 0.12 -0.01 0.00 -1.18 0.00 0.00 61.69 60.62 3hf9 s THR 48 Cb 0.00 -2.31 0.27 0.00 1.34 0.00 0.00 72.50 71.80 3hf9 s THR 48 CO 0.00 -0.16 1.92 0.00 -0.54 0.00 0.00 174.62 175.84 3hf9 h ALA 49 N -1.84 1.45 -0.19 3.99 0.00 -1.96 -2.78 119.26 117.92 3hf9 h ALA 49 Ca -0.48 -0.04 -0.17 0.00 0.00 0.00 0.00 54.91 54.23 3hf9 h ALA 49 Cb 1.28 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 18.77 3hf9 h ALA 49 CO 0.47 0.45 -0.53 0.00 0.00 0.00 0.00 179.25 179.64 3hf9 h ALA 50 N 1.48 0.32 -0.64 0.00 0.00 -1.93 -2.98 119.26 115.51 3hf9 h ALA 50 Ca 0.38 -0.51 -0.01 0.00 0.00 0.00 0.00 54.91 54.77 3hf9 h ALA 50 Cb 0.08 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 17.80 3hf9 h ALA 50 CO -0.12 0.51 0.36 0.28 0.00 0.00 0.00 179.25 180.28 3hf9 h VAL 51 N 0.39 1.20 -0.60 0.00 2.07 -1.90 0.89 116.25 118.30 3hf9 h VAL 51 Ca -0.01 -0.47 -0.03 0.00 0.82 0.00 0.00 66.70 67.00 3hf9 h VAL 51 Cb 1.15 0.35 -0.03 0.00 -1.52 0.00 0.00 31.29 31.24 3hf9 h VAL 51 CO 0.11 0.21 0.24 0.00 0.02 0.00 0.00 177.57 178.15 3hf9 h ALA 52 N 1.18 0.77 0.41 1.67 0.00 -1.48 -2.06 119.26 119.76 3hf9 h ALA 52 Ca 0.23 -0.16 -0.02 0.00 0.00 0.00 0.00 54.91 54.95 3hf9 h ALA 52 Cb 0.02 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.58 3hf9 h ALA 52 CO -0.04 0.38 -0.20 0.28 0.00 0.00 0.00 179.25 179.68 3hf9 h VAL 53 N 0.82 0.00 -0.97 0.00 2.07 -1.37 -2.66 116.25 114.15 3hf9 h VAL 53 Ca 0.20 -0.56 0.25 0.00 0.82 0.00 0.00 66.70 67.40 3hf9 h VAL 53 Cb 0.20 0.00 -0.07 0.00 -1.52 0.00 0.00 31.29 29.90 3hf9 h VAL 53 CO -0.02 0.00 0.65 -0.33 0.02 0.00 0.00 177.57 177.89 3hf9 h GLU 54 N -1.12 0.29 0.38 1.57 4.39 -0.85 0.45 114.58 119.69 3hf9 h GLU 54 Ca -0.06 -0.02 -0.02 0.00 0.34 0.00 0.00 59.36 59.61 3hf9 h GLU 54 Cb 0.43 -0.07 0.00 0.00 -0.10 0.00 0.00 28.75 29.01 3hf9 h GLU 54 CO 0.09 0.19 -0.18 0.35 -1.16 0.00 0.00 179.01 178.31 3hf9 h PHE 55 N 0.30 -0.47 -0.93 4.33 3.04 -1.46 -2.63 116.94 119.12 3hf9 h PHE 55 Ca 0.51 -0.01 0.19 0.00 3.98 0.00 0.00 57.97 62.64 3hf9 h PHE 55 Cb 1.46 0.15 -0.11 0.00 2.56 0.00 0.00 35.95 40.02 3hf9 h PHE 55 CO -0.00 -0.22 0.51 0.00 -2.02 0.00 0.00 178.31 176.57 3hf9 h ALA 56 N -0.97 1.51 -0.29 2.41 0.00 -0.88 -1.23 119.26 119.81 3hf9 h ALA 56 Ca -0.05 0.10 0.01 0.00 0.00 0.00 0.00 54.91 54.97 3hf9 h ALA 56 Cb 0.46 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.23 3hf9 h ALA 56 CO 0.08 -0.15 0.18 -0.09 0.00 0.00 0.00 179.25 179.27 3hf9 h ARG 57 N 0.62 0.36 -0.16 0.00 2.43 -0.17 0.14 114.38 117.59 3hf9 h ARG 57 Ca 0.55 -0.02 -0.00 0.00 -0.81 0.00 0.00 59.98 59.69 3hf9 h ARG 57 Cb 0.90 -0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 30.36 3hf9 h ARG 57 CO -0.42 0.24 0.09 1.25 -1.51 0.00 0.00 179.97 179.61 3hf9 h LEU 58 N 0.37 0.20 -0.88 3.80 5.85 -1.02 -1.71 115.31 121.92 3hf9 h LEU 58 Ca 0.11 -0.09 -0.01 0.00 0.84 0.00 0.00 57.88 58.73 3hf9 h LEU 58 Cb -0.03 -0.05 -0.04 0.00 0.37 0.00 0.00 40.66 40.91 3hf9 h LEU 58 CO -0.04 0.24 0.51 0.22 -0.34 0.00 0.00 178.44 179.03 3hf9 h TYR 59 N 0.16 1.19 -0.61 1.25 3.20 -0.63 -1.17 116.97 120.36 3hf9 h TYR 59 Ca 0.06 -0.02 -0.09 0.00 3.14 0.00 0.00 58.73 61.82 3hf9 h TYR 59 Cb 0.08 -0.38 -0.02 0.00 1.54 0.00 0.00 36.73 37.94 3hf9 h TYR 59 CO -0.04 0.81 0.03 0.00 -1.64 0.00 0.00 178.16 177.32 3hf9 h ALA 60 N 1.28 0.90 -0.22 1.82 0.00 -0.55 -0.49 119.26 121.98 3hf9 h ALA 60 Ca 0.31 -0.30 0.01 0.00 0.00 0.00 0.00 54.91 54.93 3hf9 h ALA 60 Cb -0.01 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.54 3hf9 h ALA 60 CO -0.05 0.66 0.13 0.28 0.00 0.00 0.00 179.25 180.27 3hf9 h VAL 61 N 0.96 1.03 0.09 0.00 2.07 -0.87 -1.82 116.25 117.71 3hf9 h VAL 61 Ca 0.18 -0.09 0.02 0.00 0.82 0.00 0.00 66.70 67.62 3hf9 h VAL 61 Cb 0.52 0.74 -0.03 0.00 -1.52 0.00 0.00 31.29 30.99 3hf9 h VAL 61 CO 0.03 0.05 -0.21 -0.33 0.02 0.00 0.00 177.57 177.13 3hf9 h GLU 62 N 0.27 -0.36 -0.50 1.57 5.08 -0.63 0.23 114.58 120.24 3hf9 h GLU 62 Ca 0.08 0.02 0.08 0.00 -1.00 0.00 0.00 59.36 58.55 3hf9 h GLU 62 Cb -0.01 0.08 -0.07 0.00 0.50 0.00 0.00 28.75 29.25 3hf9 h GLU 62 CO -0.04 -0.24 0.12 -0.07 -1.00 0.00 0.00 179.01 177.78 3hf9 h LEU 63 N -0.38 0.04 -0.13 1.33 3.38 -0.99 -0.85 115.31 117.71 3hf9 h LEU 63 Ca 0.03 0.08 -0.17 0.00 0.09 0.00 0.00 57.88 57.92 3hf9 h LEU 63 Cb 0.41 0.11 0.01 0.00 0.09 0.00 0.00 40.66 41.27 3hf9 h LEU 63 CO -0.13 0.05 -0.57 -0.08 0.09 0.00 0.00 178.44 177.79 3hf9 h GLU 64 N 0.26 0.61 -0.64 1.13 4.81 -1.01 -2.34 114.58 117.41 3hf9 h GLU 64 Ca 0.25 -0.49 0.13 0.00 -0.13 0.00 0.00 59.36 59.12 3hf9 h GLU 64 Cb 0.32 0.10 -0.12 0.00 0.63 0.00 0.00 28.75 29.68 3hf9 h GLU 64 CO -0.31 1.11 -0.16 1.25 -0.73 0.00 0.00 179.01 180.17 3hf9 h HIS 65 N 0.26 -0.35 -0.66 0.92 2.76 -0.18 0.12 115.15 118.01 3hf9 h HIS 65 Ca -0.04 0.06 0.03 0.00 -2.20 0.00 0.00 60.37 58.22 3hf9 h HIS 65 Cb 1.21 0.25 -0.04 0.00 1.55 0.00 0.00 27.41 30.38 3hf9 h HIS 65 CO 0.10 -0.28 0.41 -0.92 -1.30 0.00 0.00 177.93 175.95 3hf9 h TYR 66 N -0.00 0.77 -0.67 5.26 3.20 -0.84 -2.06 116.97 122.63 3hf9 h TYR 66 Ca 0.30 0.02 -0.04 0.00 3.14 0.00 0.00 58.73 62.15 3hf9 h TYR 66 Cb 0.47 -0.25 -0.03 0.00 1.54 0.00 0.00 36.73 38.46 3hf9 h TYR 66 CO -0.52 0.44 0.25 1.49 -1.64 0.00 0.00 178.16 178.18 3hf9 h GLU 67 N 0.81 1.00 -0.39 1.82 4.81 -0.48 0.34 114.58 122.49 3hf9 h GLU 67 Ca 0.27 -0.19 -0.07 0.00 -0.13 0.00 0.00 59.36 59.24 3hf9 h GLU 67 Cb 0.02 -0.16 -0.02 0.00 0.63 0.00 0.00 28.75 29.22 3hf9 h GLU 67 CO -0.11 0.85 -0.05 0.87 -0.73 0.00 0.00 179.01 179.84 3hf9 h LYS 68 N 0.95 0.65 -0.22 1.92 1.57 -0.58 0.00 116.57 120.86 3hf9 h LYS 68 Ca 0.22 -0.18 -0.20 0.00 -1.87 0.00 0.00 60.65 58.62 3hf9 h LYS 68 Cb 0.23 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 32.47 3hf9 h LYS 68 CO -0.02 0.70 -0.66 -0.07 -0.57 0.00 0.00 179.45 178.84 3hf9 h LEU 69 N 0.61 0.95 -1.55 2.94 3.38 -0.78 -3.36 115.31 117.50 3hf9 h LEU 69 Ca 0.12 -0.56 0.00 0.00 0.09 0.00 0.00 57.88 57.53 3hf9 h LEU 69 Cb 0.45 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 40.93 3hf9 h LEU 69 CO 0.02 1.36 0.00 -0.62 0.09 0.00 0.00 178.44 179.29 3hf9 n GLU 70 N -3.97 0.68 0.00 1.13 -0.58 0.06 -4.98 120.64 112.98 3hf9 n GLU 70 Ca -0.06 -1.20 0.00 0.00 -0.42 0.00 0.00 57.16 55.48 3hf9 n GLU 70 Cb 0.69 -1.20 0.00 0.00 -0.57 0.00 0.00 31.44 30.35 3hf9 n GLU 70 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3hf9 n GLY 71 N 0.56 2.69 3.34 0.62 0.00 -0.03 -4.96 105.19 107.42 3hf9 n GLY 71 Ca 0.06 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.91 3hf9 n GLY 71 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3hf9 s VAL 72 N -1.07 1.21 0.65 1.61 -7.23 -1.25 -4.95 120.40 109.37 3hf9 s VAL 72 Ca 0.00 -2.06 -0.13 0.00 -1.81 0.00 0.00 61.98 57.98 3hf9 s VAL 72 Cb 0.00 -2.29 -0.01 0.00 0.56 0.00 0.00 36.38 34.63 3hf9 s VAL 72 CO 0.00 -0.38 1.05 -2.84 -0.31 0.00 0.00 175.10 172.62 3hf9 s PRO 73 N -3.81 3.16 0.68 4.82 0.02 -1.26 -4.00 135.00 134.61 3hf9 s PRO 73 Ca 0.27 1.01 -0.16 0.00 0.02 0.00 0.00 61.00 62.14 3hf9 s PRO 73 Cb 0.05 -2.02 0.01 0.00 0.02 0.00 0.00 34.50 32.56 3hf9 s PRO 73 CO 0.08 -0.92 1.22 -0.51 -0.33 0.00 0.00 177.00 176.53 3hf9 s LEU 74 N -5.12 3.44 0.93 -5.54 1.43 -1.26 -5.02 118.68 107.55 3hf9 s LEU 74 Ca 0.59 2.38 -0.11 0.00 -1.03 0.00 0.00 54.13 55.97 3hf9 s LEU 74 Cb -0.14 -4.59 0.15 0.00 0.03 0.00 0.00 46.19 41.64 3hf9 s LEU 74 CO 0.48 -2.04 1.09 0.42 0.23 0.00 0.00 176.35 176.53 3hf9 s THR 75 N -1.83 2.49 0.16 5.49 -4.23 -1.26 -4.72 115.64 111.74 3hf9 s THR 75 Ca 0.76 0.16 -0.15 0.00 -1.18 0.00 0.00 61.69 61.28 3hf9 s THR 75 Cb -0.30 -2.45 0.04 0.00 1.34 0.00 0.00 72.50 71.13 3hf9 s THR 75 CO 0.41 -0.21 1.77 0.15 -0.54 0.00 0.00 174.62 176.21 3hf9 h PHE 76 N -1.77 0.36 -0.83 3.99 3.57 -1.96 0.17 116.94 120.47 3hf9 h PHE 76 Ca -0.49 0.02 0.19 0.00 3.53 0.00 0.00 57.97 61.22 3hf9 h PHE 76 Cb 1.28 -0.10 -0.12 0.00 2.79 0.00 0.00 35.95 39.80 3hf9 h PHE 76 CO 0.44 0.18 0.30 0.00 -2.23 0.00 0.00 178.31 176.99 3hf9 h ALA 77 N 1.23 1.21 -0.46 2.41 0.00 -1.99 0.68 119.26 122.34 3hf9 h ALA 77 Ca 0.18 0.16 0.00 0.00 0.00 0.00 0.00 54.91 55.25 3hf9 h ALA 77 Cb 0.11 0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.05 3hf9 h ALA 77 CO -0.14 -0.33 0.29 0.78 0.00 0.00 0.00 179.25 179.85 3hf9 h GLY 78 N 0.35 0.66 0.63 0.00 0.00 -1.11 -0.35 103.07 103.26 3hf9 h GLY 78 Ca 0.49 -0.26 0.06 0.00 0.00 0.00 0.00 47.33 47.61 3hf9 h GLY 78 CO -0.52 0.26 0.23 0.50 0.00 0.00 0.00 176.54 177.01 3hf9 h LYS 79 N 0.61 0.43 -0.66 4.80 1.57 0.12 -1.36 116.57 122.09 3hf9 h LYS 79 Ca 0.17 -0.03 -0.05 0.00 -1.87 0.00 0.00 60.65 58.87 3hf9 h LYS 79 Cb -0.03 -0.10 -0.03 0.00 0.08 0.00 0.00 32.23 32.16 3hf9 h LYS 79 CO -0.03 0.28 0.23 0.82 -0.57 0.00 0.00 179.45 180.18 3hf9 h ILE 80 N 0.44 1.25 0.52 1.86 2.04 -0.57 -2.09 117.51 120.96 3hf9 h ILE 80 Ca 0.24 -0.81 -0.02 0.00 1.00 0.00 0.00 64.86 65.27 3hf9 h ILE 80 Cb 0.19 0.53 -0.02 0.00 -0.74 0.00 0.00 36.82 36.79 3hf9 h ILE 80 CO -0.20 0.32 -0.49 -1.13 0.00 0.00 0.00 178.15 176.64 3hf9 h ASN 81 N 0.94 -1.35 -0.76 1.72 -1.24 -0.36 0.37 115.58 114.90 3hf9 h ASN 81 Ca 0.22 0.11 0.13 0.00 0.71 0.00 0.00 56.30 57.46 3hf9 h ASN 81 Cb 0.26 0.44 -0.09 0.00 0.73 0.00 0.00 38.32 39.66 3hf9 h ASN 81 CO -0.01 -0.66 0.34 0.03 -1.29 0.00 0.00 177.43 175.84 3hf9 h ARG 82 N -1.00 0.51 -0.18 6.67 2.47 -1.23 0.63 114.38 122.24 3hf9 h ARG 82 Ca -0.07 -0.03 0.05 0.00 -1.26 0.00 0.00 59.98 58.68 3hf9 h ARG 82 Cb 0.86 -0.11 -0.07 0.00 -1.65 0.00 0.00 29.97 29.00 3hf9 h ARG 82 CO -0.05 0.34 -0.32 1.25 0.56 0.00 0.00 179.97 181.75 3hf9 h LEU 83 N 0.52 -1.02 -0.67 3.04 6.46 -1.13 -0.29 115.31 122.23 3hf9 h LEU 83 Ca 0.41 0.15 -0.04 0.00 -0.12 0.00 0.00 57.88 58.29 3hf9 h LEU 83 Cb 0.57 0.44 -0.03 0.00 -0.73 0.00 0.00 40.66 40.91 3hf9 h LEU 83 CO -0.36 -0.35 0.27 0.00 -0.62 0.00 0.00 178.44 177.38 3hf9 h ALA 84 N 0.48 0.86 -0.53 1.25 0.00 0.11 0.83 119.26 122.26 3hf9 h ALA 84 Ca 0.11 -0.18 0.05 0.00 0.00 0.00 0.00 54.91 54.89 3hf9 h ALA 84 Cb 0.54 -0.26 -0.05 0.00 0.00 0.00 0.00 17.79 18.03 3hf9 h ALA 84 CO -0.39 0.48 0.28 0.82 0.00 0.00 0.00 179.25 180.44 3hf9 h ILE 85 N 0.94 0.96 -0.47 0.00 2.04 -0.77 0.82 117.51 121.04 3hf9 h ILE 85 Ca 0.22 -0.18 -0.00 0.00 1.00 0.00 0.00 64.86 65.90 3hf9 h ILE 85 Cb 0.21 0.38 -0.02 0.00 -0.74 0.00 0.00 36.82 36.64 3hf9 h ILE 85 CO -0.02 0.10 0.29 -0.03 0.00 0.00 0.00 178.15 178.49 3hf9 h MET 86 N 0.54 0.63 0.11 2.37 4.05 0.17 -0.36 114.93 122.44 3hf9 h MET 86 Ca 0.23 -0.05 -0.01 0.00 -0.28 0.00 0.00 59.70 59.59 3hf9 h MET 86 Cb 0.13 -0.13 0.00 0.00 -0.80 0.00 0.00 31.60 30.80 3hf9 h MET 86 CO -0.16 0.46 -0.05 0.28 0.23 0.00 0.00 176.91 177.67 3hf9 h VAL 87 N 0.63 0.96 -0.01 -5.77 2.07 -0.43 -2.29 116.25 111.40 3hf9 h VAL 87 Ca 0.17 -0.23 0.00 0.00 0.82 0.00 0.00 66.70 67.46 3hf9 h VAL 87 Cb -0.02 1.11 -0.00 0.00 -1.52 0.00 0.00 31.29 30.86 3hf9 h VAL 87 CO -0.03 0.06 0.01 0.03 0.02 0.00 0.00 177.57 177.65 3hf9 h ARG 88 N -0.25 0.00 -0.46 1.57 3.08 -0.80 -1.78 114.38 115.74 3hf9 h ARG 88 Ca -0.01 0.00 -0.05 0.00 0.07 0.00 0.00 59.98 59.98 3hf9 h ARG 88 Cb 0.21 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.23 3hf9 h ARG 88 CO 0.02 0.00 0.07 0.78 -1.07 0.00 0.00 179.97 179.77 3hf9 h GLY 89 N 0.00 0.76 1.19 0.04 0.00 -0.51 -2.64 103.07 101.91 3hf9 h GLY 89 Ca 0.01 -0.45 0.00 0.00 0.00 0.00 0.00 47.33 46.89 3hf9 h GLY 89 CO -0.00 0.42 -0.76 3.43 0.00 0.00 0.00 176.54 179.63 3hf9 h ASN 90 N 0.68 0.00 1.31 0.19 2.35 -0.93 -3.30 115.58 115.88 3hf9 h ASN 90 Ca 0.15 -0.05 -0.06 0.00 -0.55 0.00 0.00 56.30 55.79 3hf9 h ASN 90 Cb 0.32 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.68 3hf9 h ASN 90 CO 0.00 0.03 -0.72 -0.07 -1.65 0.00 0.00 177.43 175.03 3hf9 h LEU 91 N 0.00 0.00 -0.45 1.61 3.38 -1.32 -3.10 115.31 115.43 3hf9 h LEU 91 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3hf9 h LEU 91 Cb 0.93 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.68 3hf9 h LEU 91 CO 0.00 0.23 -0.08 0.00 0.09 0.00 0.00 178.44 178.68 3hf9 n ALA 92 N -2.21 2.74 -0.13 1.53 0.00 -1.01 -5.10 120.51 116.32 3hf9 n ALA 92 Ca -0.01 -0.33 -0.27 0.00 0.00 0.00 0.00 53.44 52.83 3hf9 n ALA 92 Cb 0.65 -1.28 -0.11 0.00 0.00 0.00 0.00 19.45 18.71 3hf9 n ALA 92 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3hf9 n ALA 93 N -0.57 1.21 -2.82 0.00 0.00 -1.18 -5.12 120.51 112.02 3hf9 n ALA 93 Ca 0.17 -1.05 -0.26 0.00 0.00 0.00 0.00 53.44 52.30 3hf9 n ALA 93 Cb 0.28 0.03 -0.03 0.00 0.00 0.00 0.00 19.45 19.73 3hf9 n ALA 93 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3hf9 n LEU 99 N -4.07 4.26 -4.41 0.00 4.77 -1.26 -5.10 117.00 111.19 3hf9 n LEU 99 Ca -0.51 -5.47 -0.44 0.00 -0.03 0.00 0.00 56.01 49.55 3hf9 n LEU 99 Cb 0.90 -0.43 -0.03 0.00 -2.33 0.00 0.00 43.42 41.52 3hf9 n LEU 99 CO 0.09 2.30 0.67 0.00 -1.33 0.00 0.00 177.39 179.12 3hf9 s ALA 100 N -3.42 3.41 -0.34 -1.18 0.00 -1.26 -5.03 121.76 113.93 3hf9 s ALA 100 Ca 0.48 -2.44 -0.14 0.00 0.00 0.00 0.00 51.96 49.86 3hf9 s ALA 100 Cb 0.32 -3.77 -0.02 0.00 0.00 0.00 0.00 23.12 19.66 3hf9 s ALA 100 CO -0.15 -2.64 0.31 -0.51 0.00 0.00 0.00 175.76 172.78 3hf9 s LEU 101 N 2.71 4.46 0.63 0.00 2.01 -1.26 -5.00 118.68 122.22 3hf9 s LEU 101 Ca 0.21 -0.30 -0.12 0.00 0.01 0.00 0.00 54.13 53.94 3hf9 s LEU 101 Cb -0.15 -2.26 -0.03 0.00 0.01 0.00 0.00 46.19 43.76 3hf9 s LEU 101 CO 0.00 -0.29 1.04 -2.84 1.01 0.00 0.00 176.35 175.27 3hf9 s PRO 102 N 1.90 3.41 -0.11 1.29 0.02 -1.26 -4.39 135.00 135.86 3hf9 s PRO 102 Ca 0.09 0.88 0.02 0.00 0.02 0.00 0.00 61.00 62.01 3hf9 s PRO 102 Cb -0.17 -2.05 0.01 0.00 0.02 0.00 0.00 34.50 32.31 3hf9 s PRO 102 CO 0.11 -0.72 -0.15 -1.17 -0.33 0.00 0.00 177.00 174.74 3hf9 s LEU 103 N -5.11 1.71 -0.12 -5.54 0.20 -0.09 -3.07 118.68 106.67 3hf9 s LEU 103 Ca 0.57 -0.42 -0.00 0.00 0.69 0.00 0.00 54.13 54.97 3hf9 s LEU 103 Cb -0.12 -1.08 -0.02 0.00 -0.43 0.00 0.00 46.19 44.54 3hf9 s LEU 103 CO 0.50 0.02 -0.10 -0.22 -0.29 0.00 0.00 176.35 176.25 3hf9 s LEU 104 N 0.98 2.89 -0.05 -0.68 2.96 0.12 -1.43 118.68 123.48 3hf9 s LEU 104 Ca -0.07 -0.23 0.06 0.00 -0.22 0.00 0.00 54.13 53.68 3hf9 s LEU 104 Cb -0.15 -1.65 -0.01 0.00 0.50 0.00 0.00 46.19 44.88 3hf9 s LEU 104 CO -0.01 0.22 -0.23 0.00 -1.32 0.00 0.00 176.35 175.00 3hf9 s ALA 105 N 0.06 2.02 0.21 5.97 0.00 -0.24 -0.98 121.76 128.80 3hf9 s ALA 105 Ca -0.04 -0.99 -0.16 0.00 0.00 0.00 0.00 51.96 50.78 3hf9 s ALA 105 Cb -0.14 -0.61 0.02 0.00 0.00 0.00 0.00 23.12 22.39 3hf9 s ALA 105 CO 0.04 0.41 0.51 0.20 0.00 0.00 0.00 175.76 176.92 3hf9 s GLY 106 N -0.22 0.11 -0.10 0.00 0.00 -0.48 -0.45 107.32 106.18 3hf9 s GLY 106 Ca -0.01 -0.45 0.02 0.00 0.00 0.00 0.00 44.72 44.29 3hf9 s GLY 106 CO 0.02 -0.38 -0.16 -0.47 0.00 0.00 0.00 173.10 172.12 3hf9 s TYR 107 N -3.92 1.95 -0.54 1.90 5.04 0.17 0.19 117.35 122.14 3hf9 s TYR 107 Ca 0.13 -0.87 -0.18 0.00 -2.44 0.00 0.00 57.07 53.71 3hf9 s TYR 107 Cb -0.01 -1.39 0.09 0.00 0.35 0.00 0.00 41.96 41.00 3hf9 s TYR 107 CO 0.01 -0.43 0.60 0.34 -1.34 0.00 0.00 175.55 174.73 3hf9 s ASP 108 N 0.86 6.19 0.32 4.32 2.15 -0.59 -4.84 116.67 125.07 3hf9 s ASP 108 Ca -0.09 -1.32 0.01 0.00 0.43 0.00 0.00 52.55 51.58 3hf9 s ASP 108 Cb -0.15 -2.27 0.54 0.00 -0.30 0.00 0.00 42.92 40.74 3hf9 s ASP 108 CO 0.01 -0.94 1.94 0.16 -0.17 0.00 0.00 175.17 176.16 3hf9 h ILE 109 N 5.88 1.19 0.00 4.11 3.07 -1.98 -2.06 117.51 127.71 3hf9 h ILE 109 Ca -0.29 -0.51 0.00 0.00 1.55 0.00 0.00 64.86 65.61 3hf9 h ILE 109 Cb 1.09 0.42 0.00 0.00 -0.27 0.00 0.00 36.82 38.06 3hf9 h ILE 109 CO 1.02 0.22 0.00 1.41 -1.05 0.00 0.00 178.15 179.75 3hf9 n HIS 110 N -4.37 0.00 -1.81 0.16 8.25 -1.26 -4.81 115.22 111.38 3hf9 n HIS 110 Ca 0.05 0.00 -0.41 0.00 -0.26 0.00 0.00 57.72 57.10 3hf9 n HIS 110 Cb 0.12 -0.30 -0.01 0.00 1.12 0.00 0.00 29.99 30.92 3hf9 n HIS 110 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3hf9 s ALA 111 N -2.59 3.68 0.12 -1.41 0.00 -0.78 -4.92 121.76 115.86 3hf9 s ALA 111 Ca 0.16 1.55 -0.19 0.00 0.00 0.00 0.00 51.96 53.48 3hf9 s ALA 111 Cb 0.11 -3.63 -0.05 0.00 0.00 0.00 0.00 23.12 19.56 3hf9 s ALA 111 CO 0.26 -0.99 1.73 0.66 0.00 0.00 0.00 175.76 177.43 3hf9 h SER 112 N 4.23 0.33 -3.58 0.00 4.64 -1.89 -3.39 113.55 113.88 3hf9 h SER 112 Ca -0.48 -0.07 -0.71 0.00 -0.47 0.00 0.00 61.79 60.06 3hf9 h SER 112 Cb 1.23 -0.08 -0.23 0.00 -0.31 0.00 0.00 62.40 63.00 3hf9 h SER 112 CO 0.74 0.30 -0.50 -0.62 -0.87 0.00 0.00 176.83 175.88 3hf9 s ASP 113 N -5.53 5.80 0.38 4.97 3.68 -1.26 -4.97 116.67 119.74 3hf9 s ASP 113 Ca -0.13 -0.91 0.28 0.00 2.13 0.00 0.00 52.55 53.92 3hf9 s ASP 113 Cb 0.09 -2.05 1.24 0.00 -1.45 0.00 0.00 42.92 40.74 3hf9 s ASP 113 CO 0.71 -0.37 1.83 -0.65 0.13 0.00 0.00 175.17 176.82 3hf9 h PRO 114 N 8.47 0.00 -0.34 4.34 0.11 -1.95 -2.95 132.00 139.68 3hf9 h PRO 114 Ca -0.27 0.00 -0.12 0.00 0.11 0.00 0.00 66.00 65.72 3hf9 h PRO 114 Cb 1.11 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.22 3hf9 h PRO 114 CO 0.67 0.00 -0.26 1.96 -0.21 0.00 0.00 178.00 180.17 3hf9 h GLN 115 N 0.00 0.77 -0.63 1.05 1.08 -1.93 -3.25 115.11 112.21 3hf9 h GLN 115 Ca 0.00 -0.38 -0.30 0.00 -1.45 0.00 0.00 58.65 56.53 3hf9 h GLN 115 Cb 0.32 -0.00 -0.18 0.00 -0.05 0.00 0.00 27.48 27.57 3hf9 h GLN 115 CO 0.00 1.00 0.23 -1.13 -0.95 0.00 0.00 178.83 177.98 3hf9 n SER 116 N -4.24 3.30 0.01 1.46 3.41 -1.13 -0.15 113.62 116.28 3hf9 n SER 116 Ca -0.03 -3.60 0.09 0.00 -0.26 0.00 0.00 58.87 55.07 3hf9 n SER 116 Cb 0.46 -0.72 0.39 0.00 -0.26 0.00 0.00 64.21 64.08 3hf9 n SER 116 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3hf9 n ALA 117 N -0.98 1.82 -1.76 7.33 0.00 -1.15 -4.79 120.51 120.98 3hf9 n ALA 117 Ca 0.43 -0.05 -0.38 0.00 0.00 0.00 0.00 53.44 53.44 3hf9 n ALA 117 Cb 1.30 -1.30 0.00 0.00 0.00 0.00 0.00 19.45 19.45 3hf9 n ALA 117 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 3hf9 s GLY 118 N -3.05 2.85 -0.00 0.00 0.00 -1.26 -1.54 107.32 104.31 3hf9 s GLY 118 Ca 0.08 1.12 0.01 0.00 0.00 0.00 0.00 44.72 45.93 3hf9 s GLY 118 CO 0.34 1.63 -0.05 0.50 0.00 0.00 0.00 173.10 175.52 3hf9 s ARG 119 N -2.60 0.37 -0.05 2.90 1.81 0.13 -4.91 118.95 116.60 3hf9 s ARG 119 Ca 0.63 -0.16 0.01 0.00 -1.72 0.00 0.00 55.73 54.49 3hf9 s ARG 119 Cb -0.34 -0.36 0.02 0.00 -0.45 0.00 0.00 34.95 33.82 3hf9 s ARG 119 CO 0.42 0.10 -0.05 0.42 -0.68 0.00 0.00 175.30 175.51 3hf9 s ILE 120 N -0.10 0.62 -0.07 1.52 1.01 -1.26 -1.38 121.20 121.54 3hf9 s ILE 120 Ca 0.02 -0.15 0.02 0.00 0.00 0.00 0.00 60.65 60.54 3hf9 s ILE 120 Cb -0.02 -0.65 0.01 0.00 0.01 0.00 0.00 42.46 41.82 3hf9 s ILE 120 CO -0.00 0.25 -0.12 -0.69 0.00 0.00 0.00 174.94 174.38 3hf9 s VAL 121 N 1.06 1.11 0.35 2.92 1.01 -0.15 -1.50 120.40 125.20 3hf9 s VAL 121 Ca -0.09 -0.46 0.05 0.00 0.00 0.00 0.00 61.98 61.49 3hf9 s VAL 121 Cb -0.14 -1.02 -0.07 0.00 0.00 0.00 0.00 36.38 35.15 3hf9 s VAL 121 CO -0.01 0.35 0.03 -0.94 0.00 0.00 0.00 175.10 174.53 3hf9 s SER 122 N 0.70 3.03 -0.02 3.32 1.04 -0.68 0.15 113.70 121.24 3hf9 s SER 122 Ca -0.14 -1.35 0.07 0.00 0.48 0.00 0.00 55.95 55.00 3hf9 s SER 122 Cb -0.16 -0.22 -0.02 0.00 0.10 0.00 0.00 66.02 65.73 3hf9 s SER 122 CO 0.03 -0.51 -0.22 -0.36 0.98 0.00 0.00 173.24 173.16 3hf9 s PHE 123 N -3.03 2.03 0.84 5.02 0.40 -1.17 -1.12 117.98 120.95 3hf9 s PHE 123 Ca 0.35 -0.42 -0.09 0.00 -0.60 0.00 0.00 56.93 56.17 3hf9 s PHE 123 Cb 0.09 -1.31 0.16 0.00 0.51 0.00 0.00 43.02 42.46 3hf9 s PHE 123 CO 0.16 -0.06 1.16 0.16 0.70 0.00 0.00 175.22 177.34 3hf9 s ASP 124 N -0.44 3.78 0.41 1.36 1.47 -0.61 -4.82 116.67 117.82 3hf9 s ASP 124 Ca 0.06 0.04 0.20 0.00 1.18 0.00 0.00 52.55 54.03 3hf9 s ASP 124 Cb -0.09 -0.28 1.14 0.00 -0.34 0.00 0.00 42.92 43.34 3hf9 s ASP 124 CO -0.00 -2.27 1.78 0.00 0.68 0.00 0.00 175.17 175.35 3hf9 h ALA 125 N -1.10 2.30 -0.61 2.11 0.00 -2.01 -1.61 119.26 118.34 3hf9 h ALA 125 Ca -0.41 0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.55 3hf9 h ALA 125 Cb 1.26 0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.08 3hf9 h ALA 125 CO 0.41 -0.69 0.00 0.00 0.00 0.00 0.00 179.25 178.97 3hf9 n ALA 126 N -2.50 2.88 -0.92 0.00 0.00 -1.26 -4.92 120.51 113.79 3hf9 n ALA 126 Ca 0.25 -1.36 0.00 0.00 0.00 0.00 0.00 53.44 52.33 3hf9 n ALA 126 Cb 0.89 -1.01 0.00 0.00 0.00 0.00 0.00 19.45 19.34 3hf9 n ALA 126 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hf9 n GLY 127 N 1.19 0.46 3.75 0.00 0.00 -0.61 -4.98 105.19 105.01 3hf9 n GLY 127 Ca 0.23 -0.74 -0.38 0.00 0.00 0.00 0.00 46.02 45.13 3hf9 n GLY 127 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3hf9 s GLY 128 N -2.68 2.44 0.73 -0.02 0.00 -1.26 -4.64 107.32 101.90 3hf9 s GLY 128 Ca 0.00 -0.17 -0.11 0.00 0.00 0.00 0.00 44.72 44.44 3hf9 s GLY 128 CO 0.00 0.64 1.09 0.66 0.00 0.00 0.00 173.10 175.50 3hf9 s TRP 129 N 0.17 3.18 -0.21 1.90 1.48 -1.26 -1.57 118.94 122.63 3hf9 s TRP 129 Ca 0.26 1.10 -0.11 0.00 -1.06 0.00 0.00 56.10 56.29 3hf9 s TRP 129 Cb -0.16 -3.07 0.07 0.00 -1.16 0.00 0.00 33.47 29.16 3hf9 s TRP 129 CO 0.12 -1.34 0.50 1.21 -4.06 0.00 0.00 176.95 173.37 3hf9 s ASN 130 N -4.20 -0.63 -0.08 -2.66 3.04 -0.27 -4.89 114.94 105.25 3hf9 s ASN 130 Ca 0.59 1.10 -0.17 0.00 0.04 0.00 0.00 52.86 54.43 3hf9 s ASN 130 Cb -0.12 1.08 -0.05 0.00 -1.54 0.00 0.00 41.25 40.63 3hf9 s ASN 130 CO 0.53 -0.21 0.43 -0.63 -3.04 0.00 0.00 177.10 174.18 3hf9 s ILE 131 N 1.70 5.14 -0.34 -5.21 1.01 -1.26 -1.68 121.20 120.55 3hf9 s ILE 131 Ca -0.08 0.87 -0.21 0.00 0.00 0.00 0.00 60.65 61.22 3hf9 s ILE 131 Cb -0.08 -3.76 0.00 0.00 0.01 0.00 0.00 42.46 38.63 3hf9 s ILE 131 CO -0.15 0.42 0.69 -1.61 0.00 0.00 0.00 174.94 174.29 3hf9 s GLU 132 N 0.02 3.77 0.00 2.79 0.41 -0.56 -4.89 118.70 120.24 3hf9 s GLU 132 Ca 0.24 0.22 0.16 0.00 -0.41 0.00 0.00 54.97 55.18 3hf9 s GLU 132 Cb -0.15 -3.78 0.14 0.00 -1.78 0.00 0.00 34.13 28.55 3hf9 s GLU 132 CO 0.11 -0.73 1.03 0.39 -0.49 0.00 0.00 175.26 175.57 3hf9 n GLU 133 N 6.12 1.32 0.02 1.61 1.02 -1.26 -4.28 120.64 125.19 3hf9 n GLU 133 Ca 0.00 -1.50 0.13 0.00 -0.02 0.00 0.00 57.16 55.77 3hf9 n GLU 133 Cb 0.48 -1.31 0.34 0.00 -0.02 0.00 0.00 31.44 30.93 3hf9 n GLU 133 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 3hf9 n GLU 134 N 0.92 0.09 0.00 3.49 1.02 -1.26 -4.96 120.64 119.94 3hf9 n GLU 134 Ca 0.10 0.04 0.00 0.00 -0.02 0.00 0.00 57.16 57.28 3hf9 n GLU 134 Cb 0.41 -1.57 0.00 0.00 -0.02 0.00 0.00 31.44 30.26 3hf9 n GLU 134 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3hf9 n GLY 135 N 1.44 2.54 3.24 0.62 0.00 -1.26 -5.03 105.19 106.75 3hf9 n GLY 135 Ca 0.05 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.94 3hf9 n GLY 135 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3hf9 s TYR 136 N -2.59 1.28 0.03 1.61 1.13 -1.26 -0.70 117.35 116.84 3hf9 s TYR 136 Ca 0.00 -1.28 -0.28 0.00 -1.41 0.00 0.00 57.07 54.10 3hf9 s TYR 136 Cb 0.00 -0.68 0.10 0.00 -1.10 0.00 0.00 41.96 40.27 3hf9 s TYR 136 CO 0.00 -0.50 0.82 -1.14 -2.51 0.00 0.00 175.55 172.22 3hf9 s GLN 137 N -4.10 0.92 -0.12 -3.49 2.00 -0.31 -4.93 119.66 109.63 3hf9 s GLN 137 Ca 0.37 -0.32 -0.19 0.00 -2.00 0.00 0.00 55.36 53.22 3hf9 s GLN 137 Cb 0.07 0.43 0.05 0.00 0.80 0.00 0.00 33.01 34.35 3hf9 s GLN 137 CO 0.12 -0.40 0.48 0.00 -0.50 0.00 0.00 175.29 174.99 3hf9 s ALA 138 N -3.18 -1.22 0.14 1.58 0.00 -1.26 -1.18 121.76 116.64 3hf9 s ALA 138 Ca 0.04 1.14 0.05 0.00 0.00 0.00 0.00 51.96 53.19 3hf9 s ALA 138 Cb -0.01 -0.47 -0.04 0.00 0.00 0.00 0.00 23.12 22.60 3hf9 s ALA 138 CO -0.09 -0.26 -0.12 0.14 0.00 0.00 0.00 175.76 175.42 3hf9 s VAL 139 N -0.36 1.27 0.00 0.00 -7.23 -0.47 -4.85 120.40 108.76 3hf9 s VAL 139 Ca -0.05 -1.92 0.00 0.00 -1.81 0.00 0.00 61.98 58.20 3hf9 s VAL 139 Cb -0.03 -1.72 0.00 0.00 0.56 0.00 0.00 36.38 35.19 3hf9 s VAL 139 CO 0.03 -0.60 0.00 0.61 -0.31 0.00 0.00 175.10 174.83 3hf9 n GLY 140 N 0.10 0.85 0.34 2.32 0.00 -1.26 -1.17 105.19 106.37 3hf9 n GLY 140 Ca -0.12 -2.19 0.02 0.00 0.00 0.00 0.00 46.02 43.73 3hf9 n GLY 140 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3hf9 h SER 141 N 0.00 0.77 -0.30 1.61 4.64 -1.97 -0.59 113.55 117.71 3hf9 h SER 141 Ca 0.00 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.31 3hf9 h SER 141 Cb 0.00 -0.19 0.00 0.00 -0.31 0.00 0.00 62.40 61.90 3hf9 h SER 141 CO 0.00 0.55 0.00 0.61 -0.87 0.00 0.00 176.83 177.12 3hf9 n GLY 142 N -1.43 1.07 0.30 -0.77 0.00 -1.26 -4.44 105.19 98.65 3hf9 n GLY 142 Ca 0.08 -0.37 0.01 0.00 0.00 0.00 0.00 46.02 45.74 3hf9 n GLY 142 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3hf9 h SER 143 N 1.83 0.57 -0.25 1.61 4.64 -1.32 -2.12 113.55 118.51 3hf9 h SER 143 Ca 0.00 -0.06 -0.05 0.00 -0.47 0.00 0.00 61.79 61.21 3hf9 h SER 143 Cb 0.68 -0.15 -0.01 0.00 -0.31 0.00 0.00 62.40 62.61 3hf9 h SER 143 CO 0.07 0.53 -0.02 -0.07 -0.87 0.00 0.00 176.83 176.47 3hf9 h LEU 144 N 0.63 0.46 -0.51 5.97 3.38 -1.81 -1.30 115.31 122.13 3hf9 h LEU 144 Ca 0.15 -0.33 -0.12 0.00 0.09 0.00 0.00 57.88 57.67 3hf9 h LEU 144 Cb 0.14 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.75 3hf9 h LEU 144 CO -0.01 0.68 -0.17 -0.26 0.09 0.00 0.00 178.44 178.77 3hf9 h PHE 145 N 0.22 1.15 -0.12 1.13 0.04 -1.84 -1.75 116.94 115.77 3hf9 h PHE 145 Ca 0.07 -0.26 0.01 0.00 2.80 0.00 0.00 57.97 60.59 3hf9 h PHE 145 Cb 0.46 -0.27 -0.02 0.00 2.20 0.00 0.00 35.95 38.32 3hf9 h PHE 145 CO 0.04 1.09 0.02 0.00 -0.60 0.00 0.00 178.31 178.86 3hf9 h ALA 146 N 0.89 0.12 -0.83 2.45 0.00 -1.29 -1.10 119.26 119.50 3hf9 h ALA 146 Ca 0.12 0.02 -0.03 0.00 0.00 0.00 0.00 54.91 55.02 3hf9 h ALA 146 Cb 0.75 0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.53 3hf9 h ALA 146 CO 0.06 -0.43 0.38 0.87 0.00 0.00 0.00 179.25 180.13 3hf9 h LYS 147 N 0.07 1.21 0.00 0.00 1.57 -1.11 -1.27 116.57 117.05 3hf9 h LYS 147 Ca 0.05 -0.19 -0.07 0.00 -1.87 0.00 0.00 60.65 58.58 3hf9 h LYS 147 Cb 0.05 -0.21 -0.01 0.00 0.08 0.00 0.00 32.23 32.13 3hf9 h LYS 147 CO -0.07 0.94 -0.33 0.77 -0.57 0.00 0.00 179.45 180.19 3hf9 h SER 148 N 1.19 0.00 -0.07 0.86 0.02 -1.05 -0.78 113.55 113.72 3hf9 h SER 148 Ca 0.28 0.00 -0.15 0.00 -0.84 0.00 0.00 61.79 61.09 3hf9 h SER 148 Cb 0.14 0.00 0.01 0.00 0.14 0.00 0.00 62.40 62.69 3hf9 h SER 148 CO -0.03 0.33 -0.54 -1.28 -1.14 0.00 0.00 176.83 174.17 3hf9 h SER 149 N 0.00 0.59 0.15 3.07 0.87 -0.82 -3.18 113.55 114.24 3hf9 h SER 149 Ca -0.00 -0.68 -0.04 0.00 -1.23 0.00 0.00 61.79 59.84 3hf9 h SER 149 Cb 0.80 -0.18 -0.01 0.00 -0.44 0.00 0.00 62.40 62.57 3hf9 h SER 149 CO 0.04 1.18 -0.18 0.24 -0.53 0.00 0.00 176.83 177.58 3hf9 h MET 150 N 0.05 0.05 -0.97 2.24 2.07 -0.90 -1.64 114.93 115.84 3hf9 h MET 150 Ca -0.05 -0.01 0.10 0.00 -2.07 0.00 0.00 59.70 57.67 3hf9 h MET 150 Cb 1.20 -0.01 -0.08 0.00 -1.87 0.00 0.00 31.60 30.84 3hf9 h MET 150 CO 0.11 0.23 0.61 -0.22 1.07 0.00 0.00 176.91 178.71 3hf9 h LYS 151 N 0.05 0.98 0.02 1.72 3.64 -1.13 0.13 116.57 121.99 3hf9 h LYS 151 Ca 0.01 -0.06 -0.25 0.00 -1.27 0.00 0.00 60.65 59.08 3hf9 h LYS 151 Cb 0.35 -0.22 -0.03 0.00 -0.41 0.00 0.00 32.23 31.91 3hf9 h LYS 151 CO 0.02 0.65 -1.31 0.87 -2.27 0.00 0.00 179.45 177.42 3hf9 h LYS 152 N 1.01 0.04 0.00 1.90 1.79 -1.39 -3.36 116.57 116.56 3hf9 h LYS 152 Ca 0.46 -0.07 0.00 0.00 -2.18 0.00 0.00 60.65 58.86 3hf9 h LYS 152 Cb 0.38 0.03 0.00 0.00 -1.58 0.00 0.00 32.23 31.05 3hf9 h LYS 152 CO -0.24 0.86 -0.93 1.28 -1.08 0.00 0.00 179.45 179.34 3hf9 n LEU 153 N -3.27 0.71 0.06 2.94 4.77 -0.72 -4.47 117.00 117.02 3hf9 n LEU 153 Ca -0.08 -0.22 -0.01 0.00 -0.03 0.00 0.00 56.01 55.67 3hf9 n LEU 153 Cb 0.99 -0.09 0.26 0.00 -2.33 0.00 0.00 43.42 42.25 3hf9 n LEU 153 CO 0.47 0.15 0.77 0.22 -1.33 0.00 0.00 177.39 177.67 3hf9 h TYR 154 N 0.00 0.41 -0.60 -1.77 3.20 -0.91 -1.32 116.97 115.98 3hf9 h TYR 154 Ca 0.00 -0.08 0.17 0.00 3.14 0.00 0.00 58.73 61.97 3hf9 h TYR 154 Cb 0.59 -0.10 -0.02 0.00 1.54 0.00 0.00 36.73 38.73 3hf9 h TYR 154 CO 0.00 0.59 0.61 0.66 -1.64 0.00 0.00 178.16 178.38 3hf9 h SER 155 N 0.33 0.00 -0.07 -2.11 4.64 -1.83 -0.10 113.55 114.41 3hf9 h SER 155 Ca 0.05 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.37 3hf9 h SER 155 Cb 0.60 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.69 3hf9 h SER 155 CO 0.04 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 176.00 3hf9 n GLN 156 N -3.70 1.48 -3.05 4.77 6.02 -0.50 -4.85 117.38 117.56 3hf9 n GLN 156 Ca 0.12 -0.71 -0.41 0.00 -0.01 0.00 0.00 57.00 55.99 3hf9 n GLN 156 Cb 0.84 -1.41 -0.06 0.00 1.02 0.00 0.00 30.24 30.63 3hf9 n GLN 156 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 3hf9 s VAL 157 N -1.92 4.96 0.00 5.09 1.01 -0.05 -4.85 120.40 124.64 3hf9 s VAL 157 Ca 0.35 1.28 0.00 0.00 0.00 0.00 0.00 61.98 63.61 3hf9 s VAL 157 Cb 0.18 -3.99 0.00 0.00 0.00 0.00 0.00 36.38 32.57 3hf9 s VAL 157 CO 0.29 0.03 0.00 0.35 0.00 0.00 0.00 175.10 175.77 3hf9 n THR 158 N 5.02 0.00 -4.03 3.92 -2.24 -1.26 -4.88 114.28 110.81 3hf9 n THR 158 Ca 0.01 0.00 -0.08 0.00 -2.27 0.00 0.00 64.05 61.71 3hf9 n THR 158 Cb 0.49 -0.14 -0.03 0.00 -2.10 0.00 0.00 70.33 68.55 3hf9 n THR 158 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 3hf9 n ASP 159 N -1.00 -0.42 0.20 3.42 5.75 -1.26 -4.49 116.55 118.75 3hf9 n ASP 159 Ca 0.00 -1.96 0.06 0.00 -0.01 0.00 0.00 54.79 52.87 3hf9 n ASP 159 Cb 0.13 0.89 0.42 0.00 -1.03 0.00 0.00 41.12 41.53 3hf9 n ASP 159 CO 0.00 0.00 0.00 1.23 -0.11 0.00 0.00 177.20 178.32 3hf9 h GLY 160 N 0.93 0.00 0.78 6.12 0.00 -1.96 -1.98 103.07 106.96 3hf9 h GLY 160 Ca -0.11 0.00 -0.13 0.00 0.00 0.00 0.00 47.33 47.09 3hf9 h GLY 160 CO 0.16 0.00 -0.47 -1.80 0.00 0.00 0.00 176.54 174.43 3hf9 h ASP 161 N 0.00 0.52 -0.22 0.19 -0.00 -1.99 -1.70 116.42 113.21 3hf9 h ASP 161 Ca -0.00 -0.69 -0.14 0.00 -0.00 0.00 0.00 57.03 56.20 3hf9 h ASP 161 Cb 0.72 -0.15 -0.01 0.00 -0.00 0.00 0.00 39.33 39.88 3hf9 h ASP 161 CO 0.04 1.12 -0.36 0.77 -0.00 0.00 0.00 179.24 180.82 3hf9 h SER 162 N -0.05 0.79 -0.63 2.28 4.64 -1.90 -2.02 113.55 116.65 3hf9 h SER 162 Ca -0.04 -0.34 0.11 0.00 -0.47 0.00 0.00 61.79 61.05 3hf9 h SER 162 Cb 1.15 -0.22 -0.08 0.00 -0.31 0.00 0.00 62.40 62.94 3hf9 h SER 162 CO 0.10 1.06 0.20 1.23 -0.87 0.00 0.00 176.83 178.55 3hf9 h GLY 163 N 0.94 0.87 1.03 -0.77 0.00 -1.36 0.92 103.07 104.71 3hf9 h GLY 163 Ca 0.06 -0.09 -0.03 0.00 0.00 0.00 0.00 47.33 47.27 3hf9 h GLY 163 CO 0.08 -0.07 0.38 -2.00 0.00 0.00 0.00 176.54 174.93 3hf9 h LEU 164 N 0.36 1.07 0.02 3.11 6.46 -0.83 -0.96 115.31 124.55 3hf9 h LEU 164 Ca 0.33 -0.14 -0.00 0.00 -0.12 0.00 0.00 57.88 57.94 3hf9 h LEU 164 Cb 0.45 -0.27 0.00 0.00 -0.73 0.00 0.00 40.66 40.11 3hf9 h LEU 164 CO -0.36 0.91 -0.01 -0.09 -0.62 0.00 0.00 178.44 178.27 3hf9 h ARG 165 N 1.15 -0.03 -0.65 1.25 2.43 -0.50 -1.34 114.38 116.68 3hf9 h ARG 165 Ca 0.28 0.00 0.08 0.00 -0.81 0.00 0.00 59.98 59.52 3hf9 h ARG 165 Cb 0.14 0.01 -0.06 0.00 -0.42 0.00 0.00 29.97 29.63 3hf9 h ARG 165 CO -0.03 0.19 0.33 0.28 -1.51 0.00 0.00 179.97 179.22 3hf9 h VAL 166 N -0.25 0.89 -0.73 0.20 2.07 -0.76 0.49 116.25 118.15 3hf9 h VAL 166 Ca -0.00 -0.20 0.04 0.00 0.82 0.00 0.00 66.70 67.36 3hf9 h VAL 166 Cb 0.24 0.25 -0.05 0.00 -1.52 0.00 0.00 31.29 30.21 3hf9 h VAL 166 CO 0.01 0.11 0.45 0.00 0.02 0.00 0.00 177.57 178.15 3hf9 h ALA 167 N 1.38 0.97 -0.26 1.67 0.00 -1.00 0.29 119.26 122.32 3hf9 h ALA 167 Ca 0.31 -0.01 -0.17 0.00 0.00 0.00 0.00 54.91 55.04 3hf9 h ALA 167 Cb 0.28 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 17.86 3hf9 h ALA 167 CO -0.23 0.20 -0.51 0.28 0.00 0.00 0.00 179.25 178.99 3hf9 h VAL 168 N 0.85 1.29 -0.39 0.00 2.07 0.05 -2.25 116.25 117.88 3hf9 h VAL 168 Ca 0.31 -1.71 -0.00 0.00 0.82 0.00 0.00 66.70 66.11 3hf9 h VAL 168 Cb 0.09 1.63 -0.02 0.00 -1.52 0.00 0.00 31.29 31.47 3hf9 h VAL 168 CO -0.14 0.55 0.23 -0.08 0.02 0.00 0.00 177.57 178.15 3hf9 h GLU 169 N 0.58 0.53 -0.62 1.57 4.81 0.28 0.02 114.58 121.74 3hf9 h GLU 169 Ca 0.02 -0.05 0.09 0.00 -0.13 0.00 0.00 59.36 59.28 3hf9 h GLU 169 Cb 1.08 -0.11 -0.07 0.00 0.63 0.00 0.00 28.75 30.29 3hf9 h GLU 169 CO 0.11 0.41 0.27 0.00 -0.73 0.00 0.00 179.01 179.07 3hf9 h ALA 170 N 1.09 0.82 0.00 2.92 0.00 -0.85 0.40 119.26 123.64 3hf9 h ALA 170 Ca 0.14 0.07 -0.04 0.00 0.00 0.00 0.00 54.91 55.08 3hf9 h ALA 170 Cb 0.02 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 3hf9 h ALA 170 CO -0.02 -0.14 -0.19 -0.07 0.00 0.00 0.00 179.25 178.83 3hf9 h LEU 171 N 0.47 0.00 -0.04 0.00 3.38 -1.17 -0.57 115.31 117.38 3hf9 h LEU 171 Ca 0.31 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 58.24 3hf9 h LEU 171 Cb 0.34 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.09 3hf9 h LEU 171 CO -0.27 0.19 -0.13 0.22 0.09 0.00 0.00 178.44 178.53 3hf9 h TYR 172 N 0.00 0.21 -0.47 1.13 3.20 0.12 -2.69 116.97 118.47 3hf9 h TYR 172 Ca -0.00 -0.08 -0.00 0.00 3.14 0.00 0.00 58.73 61.78 3hf9 h TYR 172 Cb 0.54 -0.04 -0.02 0.00 1.54 0.00 0.00 36.73 38.75 3hf9 h TYR 172 CO 0.00 0.74 0.28 -0.44 -1.64 0.00 0.00 178.16 177.10 3hf9 h ASP 173 N -0.38 0.56 -0.34 -2.11 3.32 0.10 -1.39 116.42 116.18 3hf9 h ASP 173 Ca -0.00 -0.03 -0.04 0.00 0.02 0.00 0.00 57.03 56.98 3hf9 h ASP 173 Cb 0.74 -0.14 -0.01 0.00 0.22 0.00 0.00 39.33 40.14 3hf9 h ASP 173 CO 0.03 0.43 0.07 0.00 -1.72 0.00 0.00 179.24 178.05 3hf9 h ALA 174 N 1.66 0.45 0.00 3.45 0.00 -1.14 -2.41 119.26 121.27 3hf9 h ALA 174 Ca 0.17 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.89 3hf9 h ALA 174 Cb -0.02 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.64 3hf9 h ALA 174 CO -0.03 0.12 0.00 0.00 0.00 0.00 0.00 179.25 179.34 3hf9 h ALA 175 N 0.91 1.00 0.05 0.00 0.00 -1.08 0.49 119.26 120.63 3hf9 h ALA 175 Ca 0.10 0.00 -0.23 0.00 0.00 0.00 0.00 54.91 54.79 3hf9 h ALA 175 Cb 0.32 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 3hf9 h ALA 175 CO 0.00 0.00 -1.06 0.22 0.00 0.00 0.00 179.25 178.42 3hf9 h ASP 176 N 0.00 0.20 -0.00 0.00 3.58 -0.76 -3.33 116.42 116.11 3hf9 h ASP 176 Ca 0.00 -0.20 0.00 0.00 0.42 0.00 0.00 57.03 57.25 3hf9 h ASP 176 Cb 0.35 -0.06 0.00 0.00 1.72 0.00 0.00 39.33 41.34 3hf9 h ASP 176 CO 0.00 1.12 -0.36 0.47 -2.88 0.00 0.00 179.24 177.59 3hf9 n ASP 177 N -3.48 0.52 -4.11 2.28 8.00 -1.09 -4.95 116.55 113.72 3hf9 n ASP 177 Ca -0.04 -0.76 -0.29 0.00 0.71 0.00 0.00 54.79 54.41 3hf9 n ASP 177 Cb 0.94 0.91 -0.17 0.00 -0.02 0.00 0.00 41.12 42.79 3hf9 n ASP 177 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 3hf9 s ASP 178 N -1.70 2.55 0.17 -2.24 2.15 0.14 -5.02 116.67 112.72 3hf9 s ASP 178 Ca 0.04 -0.46 0.26 0.00 0.43 0.00 0.00 52.55 52.83 3hf9 s ASP 178 Cb 0.06 -1.16 0.89 0.00 -0.30 0.00 0.00 42.92 42.41 3hf9 s ASP 178 CO 0.32 0.07 1.80 -1.54 -0.17 0.00 0.00 175.17 175.65 3hf9 n SER 179 N 3.90 0.66 0.00 -0.34 3.41 -1.26 -3.28 113.62 116.71 3hf9 n SER 179 Ca -0.20 0.57 0.13 0.00 -0.26 0.00 0.00 58.87 59.10 3hf9 n SER 179 Cb 0.52 -0.74 0.40 0.00 -0.26 0.00 0.00 64.21 64.13 3hf9 n SER 179 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3hf9 n ALA 180 N -1.73 3.03 -2.85 7.33 0.00 -1.26 -4.74 120.51 120.28 3hf9 n ALA 180 Ca 0.06 -0.24 -0.35 0.00 0.00 0.00 0.00 53.44 52.90 3hf9 n ALA 180 Cb 0.40 -1.27 -0.10 0.00 0.00 0.00 0.00 19.45 18.48 3hf9 n ALA 180 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 3hf9 s THR 181 N -3.00 4.66 0.10 0.00 2.01 -1.21 -4.66 115.64 113.55 3hf9 s THR 181 Ca 0.12 -0.08 -0.23 0.00 0.31 0.00 0.00 61.69 61.81 3hf9 s THR 181 Cb 0.18 -3.11 -0.07 0.00 0.01 0.00 0.00 72.50 69.51 3hf9 s THR 181 CO 0.63 0.44 0.71 -0.83 -0.69 0.00 0.00 174.62 174.88 3hf9 s GLY 182 N 0.59 2.81 0.29 4.40 0.00 -1.26 -4.45 107.32 109.69 3hf9 s GLY 182 Ca 0.03 0.24 -0.01 0.00 0.00 0.00 0.00 44.72 44.98 3hf9 s GLY 182 CO 0.01 0.80 0.40 0.61 0.00 0.00 0.00 173.10 174.93 3hf9 n GLY 183 N 1.86 0.48 3.64 0.20 0.00 -1.26 -4.58 105.19 105.54 3hf9 n GLY 183 Ca -0.06 -1.95 -0.43 0.00 0.00 0.00 0.00 46.02 43.58 3hf9 n GLY 183 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3hf9 s PRO 184 N -3.52 4.02 -0.62 1.61 0.02 -1.26 -4.90 135.00 130.34 3hf9 s PRO 184 Ca 0.26 1.59 -0.24 0.00 0.02 0.00 0.00 61.00 62.63 3hf9 s PRO 184 Cb -0.01 -3.89 0.05 0.00 0.02 0.00 0.00 34.50 30.66 3hf9 s PRO 184 CO 0.17 -1.00 1.02 0.34 -0.33 0.00 0.00 177.00 177.21 3hf9 s ASP 185 N 2.96 6.26 0.19 2.53 3.68 -0.51 -4.89 116.67 126.88 3hf9 s ASP 185 Ca 0.61 -0.55 0.05 0.00 2.13 0.00 0.00 52.55 54.79 3hf9 s ASP 185 Cb -0.22 -2.46 0.06 0.00 -1.45 0.00 0.00 42.92 38.85 3hf9 s ASP 185 CO 0.23 -1.42 1.43 -0.07 0.13 0.00 0.00 175.17 175.47 3hf9 h LEU 186 N 11.50 0.17 -0.41 -1.34 3.38 -1.93 -0.22 115.31 126.46 3hf9 h LEU 186 Ca -0.27 -0.13 0.01 0.00 0.09 0.00 0.00 57.88 57.58 3hf9 h LEU 186 Cb 1.07 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 41.75 3hf9 h LEU 186 CO 1.16 0.91 0.26 0.58 0.09 0.00 0.00 178.44 181.44 3hf9 h VAL 187 N 0.08 1.09 -0.00 1.22 2.07 -1.97 -3.01 116.25 115.72 3hf9 h VAL 187 Ca -0.03 -0.19 0.00 0.00 0.82 0.00 0.00 66.70 67.31 3hf9 h VAL 187 Cb 1.42 0.51 0.00 0.00 -1.52 0.00 0.00 31.29 31.70 3hf9 h VAL 187 CO 0.12 0.10 -0.72 0.54 0.02 0.00 0.00 177.57 177.63 3hf9 n ARG 188 N -4.81 0.04 -3.09 1.57 1.74 -1.21 -4.98 116.66 105.92 3hf9 n ARG 188 Ca 0.01 -0.03 -0.14 0.00 -0.77 0.00 0.00 57.85 56.92 3hf9 n ARG 188 Cb 0.03 -1.50 0.06 0.00 -1.02 0.00 0.00 32.46 30.03 3hf9 n ARG 188 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3hf9 n GLY 189 N 1.49 -0.08 3.21 -0.13 0.00 -0.16 -5.03 105.19 104.50 3hf9 n GLY 189 Ca 0.05 -0.07 -0.33 0.00 0.00 0.00 0.00 46.02 45.68 3hf9 n GLY 189 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3hf9 s ILE 190 N -3.23 2.24 0.27 -0.61 1.01 -0.82 -5.02 121.20 115.03 3hf9 s ILE 190 Ca 0.18 -0.93 0.05 0.00 0.00 0.00 0.00 60.65 59.94 3hf9 s ILE 190 Cb -0.08 -1.90 -0.06 0.00 0.01 0.00 0.00 42.46 40.44 3hf9 s ILE 190 CO 0.49 0.54 -0.01 -0.36 0.00 0.00 0.00 174.94 175.61 3hf9 s PHE 191 N 0.68 1.78 0.66 3.97 0.40 -1.26 -1.43 117.98 122.78 3hf9 s PHE 191 Ca -0.10 -0.85 -0.17 0.00 -0.60 0.00 0.00 56.93 55.21 3hf9 s PHE 191 Cb -0.16 -1.06 -0.01 0.00 0.51 0.00 0.00 43.02 42.30 3hf9 s PHE 191 CO 0.01 0.08 1.12 -2.30 0.70 0.00 0.00 175.22 174.83 3hf9 n PRO 192 N -0.53 0.84 -3.56 0.24 -0.02 -1.26 -4.81 135.00 125.90 3hf9 n PRO 192 Ca -0.05 0.34 -0.34 0.00 -2.02 0.00 0.00 63.50 61.44 3hf9 n PRO 192 Cb 0.64 -2.35 -0.05 0.00 -0.02 0.00 0.00 33.50 31.72 3hf9 n PRO 192 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 3hf9 s THR 193 N -1.57 5.08 0.13 3.45 -4.23 -0.70 -4.91 115.64 112.89 3hf9 s THR 193 Ca 0.78 0.41 -0.01 0.00 -1.18 0.00 0.00 61.69 61.69 3hf9 s THR 193 Cb -0.38 -3.64 -0.04 0.00 1.34 0.00 0.00 72.50 69.78 3hf9 s THR 193 CO 0.45 0.21 0.06 0.00 -0.54 0.00 0.00 174.62 174.80 3hf9 s ALA 194 N -1.48 0.88 -0.04 3.99 0.00 -1.26 -1.25 121.76 122.59 3hf9 s ALA 194 Ca 0.36 -1.48 -0.03 0.00 0.00 0.00 0.00 51.96 50.80 3hf9 s ALA 194 Cb -0.13 0.89 0.01 0.00 0.00 0.00 0.00 23.12 23.89 3hf9 s ALA 194 CO 0.19 -0.49 0.11 0.08 0.00 0.00 0.00 175.76 175.65 3hf9 s VAL 195 N -4.05 -0.01 -0.04 0.00 1.01 0.14 -1.77 120.40 115.67 3hf9 s VAL 195 Ca 0.25 0.02 0.06 0.00 0.00 0.00 0.00 61.98 62.31 3hf9 s VAL 195 Cb 0.07 -0.16 -0.01 0.00 0.00 0.00 0.00 36.38 36.28 3hf9 s VAL 195 CO 0.02 0.01 -0.22 -0.63 0.00 0.00 0.00 175.10 174.28 3hf9 s ILE 196 N 0.19 1.81 -0.07 2.22 1.01 -0.12 -1.45 121.20 124.80 3hf9 s ILE 196 Ca -0.01 -0.94 0.04 0.00 0.00 0.00 0.00 60.65 59.74 3hf9 s ILE 196 Cb -0.02 -1.53 -0.00 0.00 0.01 0.00 0.00 42.46 40.91 3hf9 s ILE 196 CO -0.01 0.51 -0.21 -0.63 0.00 0.00 0.00 174.94 174.60 3hf9 s ILE 197 N -0.18 1.80 0.16 2.92 1.01 -0.48 -0.37 121.20 126.06 3hf9 s ILE 197 Ca -0.01 -0.89 0.02 0.00 0.00 0.00 0.00 60.65 59.77 3hf9 s ILE 197 Cb -0.12 -1.55 -0.01 0.00 0.01 0.00 0.00 42.46 40.79 3hf9 s ILE 197 CO 0.02 0.50 0.17 -0.90 0.00 0.00 0.00 174.94 174.74 3hf9 n ASP 198 N 3.36 -0.46 -0.21 3.58 5.68 -1.21 -2.40 116.55 124.89 3hf9 n ASP 198 Ca -0.19 -1.99 0.04 0.00 -0.50 0.00 0.00 54.79 52.15 3hf9 n ASP 198 Cb 0.53 0.97 0.31 0.00 -1.14 0.00 0.00 41.12 41.78 3hf9 n ASP 198 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3hf9 h ALA 199 N 1.59 1.61 -0.46 2.12 0.00 -1.95 0.31 119.26 122.48 3hf9 h ALA 199 Ca -0.12 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.74 3hf9 h ALA 199 Cb 0.57 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.10 3hf9 h ALA 199 CO 0.17 0.30 0.20 -0.44 0.00 0.00 0.00 179.25 179.47 3hf9 h ASP 200 N 0.87 0.58 -4.77 0.00 3.45 -1.95 -3.48 116.42 111.11 3hf9 h ASP 200 Ca 0.31 -0.06 0.00 0.00 0.43 0.00 0.00 57.03 57.72 3hf9 h ASP 200 Cb 0.14 -0.15 0.00 0.00 -0.56 0.00 0.00 39.33 38.77 3hf9 h ASP 200 CO -0.10 0.52 0.00 0.61 -1.57 0.00 0.00 179.24 178.70 3hf9 n GLY 201 N -1.19 1.96 3.76 2.75 0.00 0.11 -5.07 105.19 107.52 3hf9 n GLY 201 Ca 0.03 -2.13 -0.41 0.00 0.00 0.00 0.00 46.02 43.51 3hf9 n GLY 201 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hf9 s ALA 202 N -1.58 3.58 -0.10 4.61 0.00 0.50 -3.29 121.76 125.48 3hf9 s ALA 202 Ca 0.00 1.37 -0.08 0.00 0.00 0.00 0.00 51.96 53.25 3hf9 s ALA 202 Cb 0.00 -3.55 0.03 0.00 0.00 0.00 0.00 23.12 19.60 3hf9 s ALA 202 CO 0.00 -0.79 0.25 0.08 0.00 0.00 0.00 175.76 175.30 3hf9 s VAL 203 N -0.65 -0.00 0.08 0.00 1.01 0.50 -4.98 120.40 116.35 3hf9 s VAL 203 Ca 0.54 0.01 -0.31 0.00 0.00 0.00 0.00 61.98 62.23 3hf9 s VAL 203 Cb -0.42 -0.36 -0.06 0.00 0.00 0.00 0.00 36.38 35.54 3hf9 s VAL 203 CO 0.51 0.00 1.22 -1.81 0.00 0.00 0.00 175.10 175.03 3hf9 s ASP 204 N 0.23 7.05 0.06 3.32 1.01 -1.26 -0.94 116.67 126.13 3hf9 s ASP 204 Ca -0.01 2.07 -0.30 0.00 0.71 0.00 0.00 52.55 55.02 3hf9 s ASP 204 Cb -0.02 -2.58 -0.05 0.00 1.01 0.00 0.00 42.92 41.28 3hf9 s ASP 204 CO -0.00 -0.48 1.04 -0.69 0.21 0.00 0.00 175.17 175.25 3hf9 s VAL 205 N 0.97 4.47 0.44 -1.27 1.01 -0.73 -4.91 120.40 120.38 3hf9 s VAL 205 Ca 0.59 1.86 -0.24 0.00 0.00 0.00 0.00 61.98 64.19 3hf9 s VAL 205 Cb -0.31 -4.19 -0.08 0.00 0.00 0.00 0.00 36.38 31.81 3hf9 s VAL 205 CO 0.30 0.19 1.21 -2.84 0.00 0.00 0.00 175.10 173.96 3hf9 s PRO 206 N 0.66 3.81 0.45 2.72 0.02 -1.26 -4.54 135.00 136.87 3hf9 s PRO 206 Ca 0.52 1.90 0.12 0.00 0.02 0.00 0.00 61.00 63.56 3hf9 s PRO 206 Cb -0.25 -2.53 1.00 0.00 0.02 0.00 0.00 34.50 32.75 3hf9 s PRO 206 CO 0.29 -0.54 2.05 1.49 -0.33 0.00 0.00 177.00 179.96 3hf9 h GLU 207 N 2.26 0.21 0.11 5.54 4.81 -1.96 -2.43 114.58 123.13 3hf9 h GLU 207 Ca -0.49 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 58.72 3hf9 h GLU 207 Cb 1.25 -0.04 -0.03 0.00 0.63 0.00 0.00 28.75 30.56 3hf9 h GLU 207 CO 0.61 0.21 -0.32 0.77 -0.73 0.00 0.00 179.01 179.55 3hf9 h SER 208 N 0.21 -0.95 -0.55 1.04 0.02 -1.99 0.10 113.55 111.42 3hf9 h SER 208 Ca 0.05 0.10 0.07 0.00 -0.84 0.00 0.00 61.79 61.17 3hf9 h SER 208 Cb 0.11 0.35 -0.03 0.00 0.14 0.00 0.00 62.40 62.96 3hf9 h SER 208 CO -0.00 -0.35 0.37 -0.09 -1.14 0.00 0.00 176.83 175.62 3hf9 h ARG 209 N -0.48 0.45 -0.08 3.45 2.43 -1.83 -0.70 114.38 117.63 3hf9 h ARG 209 Ca -0.01 -0.03 -0.18 0.00 -0.81 0.00 0.00 59.98 58.96 3hf9 h ARG 209 Cb 0.47 -0.10 0.01 0.00 -0.42 0.00 0.00 29.97 29.93 3hf9 h ARG 209 CO -0.15 0.30 -0.64 0.82 -1.51 0.00 0.00 179.97 178.79 3hf9 h ILE 210 N 0.47 1.35 -0.29 1.20 2.04 -1.18 -0.55 117.51 120.55 3hf9 h ILE 210 Ca 0.25 -1.95 0.01 0.00 1.00 0.00 0.00 64.86 64.16 3hf9 h ILE 210 Cb 0.36 2.26 -0.02 0.00 -0.74 0.00 0.00 36.82 38.68 3hf9 h ILE 210 CO -0.07 0.59 0.18 0.00 0.00 0.00 0.00 178.15 178.85 3hf9 h ALA 211 N 0.45 0.36 -0.76 1.87 0.00 -0.28 0.38 119.26 121.28 3hf9 h ALA 211 Ca -0.06 -0.01 0.11 0.00 0.00 0.00 0.00 54.91 54.95 3hf9 h ALA 211 Cb 1.29 -0.10 -0.13 0.00 0.00 0.00 0.00 17.79 18.85 3hf9 h ALA 211 CO 0.13 -0.18 -0.41 1.49 0.00 0.00 0.00 179.25 180.27 3hf9 h GLU 212 N 0.37 -0.11 -0.16 0.00 4.81 -0.92 -1.50 114.58 117.07 3hf9 h GLU 212 Ca 0.11 0.01 -0.02 0.00 -0.13 0.00 0.00 59.36 59.32 3hf9 h GLU 212 Cb -0.03 0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.37 3hf9 h GLU 212 CO -0.03 -0.07 0.01 -0.07 -0.73 0.00 0.00 179.01 178.11 3hf9 h LEU 213 N -0.11 0.27 -0.27 1.64 3.38 -0.06 -2.75 115.31 117.41 3hf9 h LEU 213 Ca 0.25 -0.30 0.04 0.00 0.09 0.00 0.00 57.88 57.95 3hf9 h LEU 213 Cb 0.56 -0.07 -0.06 0.00 0.09 0.00 0.00 40.66 41.17 3hf9 h LEU 213 CO -0.81 0.50 -0.46 0.00 0.09 0.00 0.00 178.44 177.76 3hf9 h ALA 214 N 0.78 -0.74 -0.57 1.53 0.00 0.10 -0.84 119.26 119.52 3hf9 h ALA 214 Ca 0.05 -0.02 0.10 0.00 0.00 0.00 0.00 54.91 55.04 3hf9 h ALA 214 Cb 0.36 1.02 -0.11 0.00 0.00 0.00 0.00 17.79 19.06 3hf9 h ALA 214 CO 0.01 -0.94 -0.36 0.00 0.00 0.00 0.00 179.25 177.95 3hf9 h ARG 215 N -0.38 -0.19 -0.08 0.00 3.08 -1.24 0.66 114.38 116.24 3hf9 h ARG 215 Ca 0.05 0.01 0.02 0.00 0.07 0.00 0.00 59.98 60.14 3hf9 h ARG 215 Cb 0.51 0.04 -0.00 0.00 0.08 0.00 0.00 29.97 30.60 3hf9 h ARG 215 CO -0.45 -0.12 0.07 0.00 -1.07 0.00 0.00 179.97 178.40 3hf9 h ALA 216 N 0.86 1.85 0.10 0.04 0.00 -1.14 0.51 119.26 121.48 3hf9 h ALA 216 Ca 0.21 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.11 3hf9 h ALA 216 Cb 0.56 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.35 3hf9 h ALA 216 CO -0.67 -0.11 -0.05 0.82 0.00 0.00 0.00 179.25 179.24 3hf9 h ILE 217 N 0.00 1.09 -0.33 0.00 2.04 0.46 -2.17 117.51 118.60 3hf9 h ILE 217 Ca 0.04 -1.25 0.07 0.00 1.00 0.00 0.00 64.86 64.72 3hf9 h ILE 217 Cb 0.18 1.83 -0.08 0.00 -0.74 0.00 0.00 36.82 38.01 3hf9 h ILE 217 CO -0.00 0.28 -0.20 0.40 0.00 0.00 0.00 178.15 178.63 3hf9 h ILE 218 N -0.77 0.44 -0.27 -0.67 2.04 0.57 -2.04 117.51 116.81 3hf9 h ILE 218 Ca -0.01 0.00 -0.08 0.00 1.00 0.00 0.00 64.86 65.76 3hf9 h ILE 218 Cb 0.56 0.44 -0.01 0.00 -0.74 0.00 0.00 36.82 37.07 3hf9 h ILE 218 CO 0.02 0.00 -0.18 -0.33 0.00 0.00 0.00 178.15 177.66 3hf9 h GLU 219 N -0.16 0.48 0.00 2.37 5.08 -0.16 -1.09 114.58 121.11 3hf9 h GLU 219 Ca 0.17 -0.16 0.00 0.00 -1.00 0.00 0.00 59.36 58.37 3hf9 h GLU 219 Cb 0.42 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.63 3hf9 h GLU 219 CO -0.43 0.65 0.00 0.66 -1.00 0.00 0.00 179.01 178.89 3hf9 h SER 220 N 0.43 0.00 0.00 1.42 4.64 -0.69 -1.67 113.55 117.68 3hf9 h SER 220 Ca 0.07 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.39 3hf9 h SER 220 Cb 0.57 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.66 3hf9 h SER 220 CO 0.04 0.00 -0.88 0.54 -0.87 0.00 0.00 176.83 175.66 3hf9 n ARG 221 N -2.47 2.19 0.00 4.77 1.74 -0.49 -5.08 116.66 117.32 3hf9 n ARG 221 Ca -0.02 -0.04 0.10 0.00 -0.77 0.00 0.00 57.85 57.12 3hf9 n ARG 221 Cb 0.05 -1.14 0.56 0.00 -1.02 0.00 0.00 32.46 30.91 3hf9 n ARG 221 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54