#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hf9 h GLN 11 N 0.00 0.50 0.00 5.31 4.15 -2.06 0.12 115.11 123.13 3hf9 h GLN 11 Ca 0.00 -0.08 0.00 0.00 0.77 0.00 0.00 58.65 59.34 3hf9 h GLN 11 Cb 0.00 -0.09 0.00 0.00 0.21 0.00 0.00 27.48 27.60 3hf9 h GLN 11 CO 0.00 0.46 0.00 0.00 -1.93 0.00 0.00 178.83 177.36 3hf9 n ALA 12 N -2.48 1.89 0.20 3.38 0.00 -1.26 0.51 120.51 122.75 3hf9 n ALA 12 Ca 0.02 -0.07 0.08 0.00 0.00 0.00 0.00 53.44 53.47 3hf9 n ALA 12 Cb 0.18 -1.22 0.34 0.00 0.00 0.00 0.00 19.45 18.74 3hf9 n ALA 12 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 177.50 179.48 3hf9 h MET 13 N 0.00 0.00 0.02 0.00 1.85 -1.21 -3.07 114.93 112.52 3hf9 h MET 13 Ca 0.00 0.00 -0.28 0.00 -0.61 0.00 0.00 59.70 58.81 3hf9 h MET 13 Cb 0.07 0.00 -0.04 0.00 0.43 0.00 0.00 31.60 32.06 3hf9 h MET 13 CO 0.00 0.28 -1.54 0.00 -0.40 0.00 0.00 176.91 175.25 3hf9 h ARG 14 N 0.00 0.03 0.19 0.39 3.08 -0.03 -2.68 114.38 115.37 3hf9 h ARG 14 Ca -0.00 -0.06 0.00 0.00 0.07 0.00 0.00 59.98 59.99 3hf9 h ARG 14 Cb 0.92 0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.97 3hf9 h ARG 14 CO 0.04 0.70 -0.18 1.49 -1.07 0.00 0.00 179.97 180.94 3hf9 h GLU 15 N 0.01 -0.38 -0.33 0.04 4.81 -1.34 -1.31 114.58 116.08 3hf9 h GLU 15 Ca -0.22 0.03 0.04 0.00 -0.13 0.00 0.00 59.36 59.07 3hf9 h GLU 15 Cb 1.96 0.09 -0.04 0.00 0.63 0.00 0.00 28.75 31.39 3hf9 h GLU 15 CO 0.10 -0.25 0.10 0.00 -0.73 0.00 0.00 179.01 178.22 3hf9 h ARG 16 N -0.40 0.22 -0.59 1.92 3.08 -1.63 -1.19 114.38 115.79 3hf9 h ARG 16 Ca -0.00 -0.01 0.16 0.00 0.07 0.00 0.00 59.98 60.20 3hf9 h ARG 16 Cb 0.37 -0.05 -0.03 0.00 0.08 0.00 0.00 29.97 30.34 3hf9 h ARG 16 CO -0.04 0.14 0.42 1.03 -1.07 0.00 0.00 179.97 180.46 3hf9 h SER 17 N 0.23 0.05 0.04 7.04 0.87 -1.27 -1.41 113.55 119.10 3hf9 h SER 17 Ca 0.15 0.00 -0.00 0.00 -1.23 0.00 0.00 61.79 60.71 3hf9 h SER 17 Cb 0.14 -0.01 0.00 0.00 -0.44 0.00 0.00 62.40 62.09 3hf9 h SER 17 CO -0.17 0.03 -0.02 -0.33 -0.53 0.00 0.00 176.83 175.81 3hf9 h GLU 18 N 0.05 -0.05 -0.70 2.24 4.39 -0.09 -1.73 114.58 118.69 3hf9 h GLU 18 Ca 0.28 0.00 0.15 0.00 0.34 0.00 0.00 59.36 60.14 3hf9 h GLU 18 Cb 1.06 0.01 -0.12 0.00 -0.10 0.00 0.00 28.75 29.60 3hf9 h GLU 18 CO -0.02 0.59 -0.05 1.25 -1.16 0.00 0.00 179.01 179.62 3hf9 h LEU 19 N -0.93 -0.42 0.91 1.33 5.85 -0.88 0.15 115.31 121.33 3hf9 h LEU 19 Ca -0.01 0.19 -0.04 0.00 0.84 0.00 0.00 57.88 58.86 3hf9 h LEU 19 Cb 0.66 0.35 0.01 0.00 0.37 0.00 0.00 40.66 42.05 3hf9 h LEU 19 CO 0.01 -0.18 -0.44 0.00 -0.34 0.00 0.00 178.44 177.49 3hf9 h ALA 20 N 1.67 -1.25 -0.42 1.25 0.00 -1.36 -2.08 119.26 117.07 3hf9 h ALA 20 Ca 0.37 -0.27 0.12 0.00 0.00 0.00 0.00 54.91 55.13 3hf9 h ALA 20 Cb 0.61 0.47 -0.02 0.00 0.00 0.00 0.00 17.79 18.86 3hf9 h ALA 20 CO -0.65 -1.16 0.30 -0.09 0.00 0.00 0.00 179.25 177.66 3hf9 h ARG 21 N -1.29 0.03 0.13 0.00 2.43 -0.56 -2.03 114.38 113.09 3hf9 h ARG 21 Ca -0.12 -0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.04 3hf9 h ARG 21 Cb 0.93 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 30.48 3hf9 h ARG 21 CO 0.20 0.02 -0.06 0.87 -1.51 0.00 0.00 179.97 179.50 3hf9 h LYS 22 N 0.04 -0.16 -0.77 0.20 1.57 -0.65 -2.54 116.57 114.24 3hf9 h LYS 22 Ca 0.20 0.01 0.16 0.00 -1.87 0.00 0.00 60.65 59.15 3hf9 h LYS 22 Cb 0.75 0.04 -0.05 0.00 0.08 0.00 0.00 32.23 33.05 3hf9 h LYS 22 CO -0.01 0.31 0.52 0.78 -0.57 0.00 0.00 179.45 180.47 3hf9 h GLY 23 N -0.78 0.69 1.38 3.86 0.00 -0.78 -0.90 103.07 106.54 3hf9 h GLY 23 Ca -0.02 -0.17 -0.23 0.00 0.00 0.00 0.00 47.33 46.91 3hf9 h GLY 23 CO 0.03 0.05 -0.89 -2.22 0.00 0.00 0.00 176.54 173.50 3hf9 h ILE 24 N 0.39 1.34 0.00 2.60 2.04 -1.43 -2.98 117.51 119.47 3hf9 h ILE 24 Ca 0.38 -2.23 0.00 0.00 1.00 0.00 0.00 64.86 64.01 3hf9 h ILE 24 Cb 0.92 2.25 0.00 0.00 -0.74 0.00 0.00 36.82 39.25 3hf9 h ILE 24 CO -0.12 0.68 0.00 0.00 0.00 0.00 0.00 178.15 178.71 3hf9 n ALA 25 N -2.58 2.09 0.82 1.87 0.00 -0.38 -1.80 120.51 120.53 3hf9 n ALA 25 Ca -0.08 -0.10 0.08 0.00 0.00 0.00 0.00 53.44 53.35 3hf9 n ALA 25 Cb 0.80 -1.31 -0.09 0.00 0.00 0.00 0.00 19.45 18.86 3hf9 n ALA 25 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3hf9 n ARG 26 N -1.16 1.29 -2.54 0.00 1.74 -0.99 -4.13 116.66 110.86 3hf9 n ARG 26 Ca 0.11 -0.06 -0.23 0.00 -0.77 0.00 0.00 57.85 56.90 3hf9 n ARG 26 Cb 0.11 -1.32 0.04 0.00 -1.02 0.00 0.00 32.46 30.27 3hf9 n ARG 26 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3hf9 s ALA 27 N -2.60 3.59 0.53 7.54 0.00 -0.98 -4.90 121.76 124.94 3hf9 s ALA 27 Ca 0.07 -1.09 -0.21 0.00 0.00 0.00 0.00 51.96 50.74 3hf9 s ALA 27 Cb 0.13 -2.31 -0.05 0.00 0.00 0.00 0.00 23.12 20.89 3hf9 s ALA 27 CO 0.69 -0.85 1.23 0.15 0.00 0.00 0.00 175.76 176.98 3hf9 s LYS 28 N -4.90 3.31 0.41 0.00 -0.14 -1.26 -1.98 119.74 115.19 3hf9 s LYS 28 Ca 0.56 1.91 -0.14 0.00 -1.36 0.00 0.00 55.97 56.94 3hf9 s LYS 28 Cb -0.10 -2.19 -0.08 0.00 -1.68 0.00 0.00 37.83 33.78 3hf9 s LYS 28 CO 0.41 -0.96 0.83 -1.12 -0.76 0.00 0.00 175.35 173.75 3hf9 s SER 29 N -1.35 6.64 0.02 2.83 0.01 -1.26 -4.33 113.70 116.25 3hf9 s SER 29 Ca 0.71 1.31 0.02 0.00 1.31 0.00 0.00 55.95 59.30 3hf9 s SER 29 Cb -0.32 -2.40 -0.01 0.00 0.21 0.00 0.00 66.02 63.50 3hf9 s SER 29 CO 0.37 -0.39 -0.07 -0.69 0.41 0.00 0.00 173.24 172.87 3hf9 s VAL 30 N -2.32 0.48 -0.01 3.43 1.01 0.07 -2.38 120.40 120.69 3hf9 s VAL 30 Ca 0.55 -0.64 0.03 0.00 0.00 0.00 0.00 61.98 61.91 3hf9 s VAL 30 Cb -0.10 -0.48 -0.01 0.00 0.00 0.00 0.00 36.38 35.79 3hf9 s VAL 30 CO 0.26 -0.12 -0.09 -0.69 0.00 0.00 0.00 175.10 174.45 3hf9 s VAL 31 N -0.73 0.75 -0.05 2.92 1.01 0.38 -1.44 120.40 123.23 3hf9 s VAL 31 Ca -0.04 -0.40 0.01 0.00 0.00 0.00 0.00 61.98 61.55 3hf9 s VAL 31 Cb -0.06 -0.63 0.02 0.00 0.00 0.00 0.00 36.38 35.71 3hf9 s VAL 31 CO 0.00 0.21 -0.06 0.00 0.00 0.00 0.00 175.10 175.25 3hf9 s ALA 32 N -0.21 0.86 0.04 5.51 0.00 -0.46 -0.80 121.76 126.70 3hf9 s ALA 32 Ca 0.03 -0.18 0.03 0.00 0.00 0.00 0.00 51.96 51.85 3hf9 s ALA 32 Cb -0.04 -0.50 -0.02 0.00 0.00 0.00 0.00 23.12 22.56 3hf9 s ALA 32 CO -0.00 -0.03 -0.10 -0.48 0.00 0.00 0.00 175.76 175.14 3hf9 s LEU 33 N 0.95 2.18 -0.21 0.00 2.34 -0.39 -0.32 118.68 123.24 3hf9 s LEU 33 Ca -0.10 -0.44 -0.21 0.00 0.06 0.00 0.00 54.13 53.43 3hf9 s LEU 33 Cb -0.14 -0.38 -0.02 0.00 -0.56 0.00 0.00 46.19 45.08 3hf9 s LEU 33 CO 0.00 -0.05 0.65 0.00 -1.06 0.00 0.00 176.35 175.89 3hf9 s ALA 34 N -0.95 3.56 0.21 1.48 0.00 0.31 -1.67 121.76 124.71 3hf9 s ALA 34 Ca -0.03 -0.28 0.05 0.00 0.00 0.00 0.00 51.96 51.71 3hf9 s ALA 34 Cb -0.08 -3.01 -0.05 0.00 0.00 0.00 0.00 23.12 19.98 3hf9 s ALA 34 CO 0.01 -0.63 -0.06 1.52 0.00 0.00 0.00 175.76 176.60 3hf9 s TYR 35 N 2.09 1.56 0.25 0.00 -0.85 -0.90 -4.49 117.35 115.01 3hf9 s TYR 35 Ca 0.29 -0.78 -0.06 0.00 -0.52 0.00 0.00 57.07 56.00 3hf9 s TYR 35 Cb -0.16 -0.85 0.28 0.00 0.38 0.00 0.00 41.96 41.62 3hf9 s TYR 35 CO 0.10 0.11 1.91 0.00 -1.52 0.00 0.00 175.55 176.16 3hf9 h ALA 36 N 2.54 1.27 -0.75 9.51 0.00 -1.69 -2.51 119.26 127.62 3hf9 h ALA 36 Ca -0.38 -0.06 -0.04 0.00 0.00 0.00 0.00 54.91 54.44 3hf9 h ALA 36 Cb 1.21 -0.38 -0.03 0.00 0.00 0.00 0.00 17.79 18.60 3hf9 h ALA 36 CO 0.64 0.59 0.32 0.78 0.00 0.00 0.00 179.25 181.58 3hf9 h GLY 37 N 1.29 1.18 0.00 0.00 0.00 -1.86 -3.49 103.07 100.19 3hf9 h GLY 37 Ca 0.37 -0.62 0.00 0.00 0.00 0.00 0.00 47.33 47.08 3hf9 h GLY 37 CO -0.10 0.59 0.00 0.61 0.00 0.00 0.00 176.54 177.64 3hf9 n GLY 38 N -0.91 -1.20 3.75 4.60 0.00 -0.95 -3.61 105.19 106.88 3hf9 n GLY 38 Ca 0.06 -1.07 -0.39 0.00 0.00 0.00 0.00 46.02 44.62 3hf9 n GLY 38 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3hf9 s VAL 39 N -3.00 4.98 -0.12 1.61 1.01 -1.08 -2.11 120.40 121.69 3hf9 s VAL 39 Ca 0.00 1.20 -0.02 0.00 0.00 0.00 0.00 61.98 63.17 3hf9 s VAL 39 Cb 0.00 -3.92 -0.03 0.00 0.00 0.00 0.00 36.38 32.44 3hf9 s VAL 39 CO 0.00 0.39 -0.05 -0.22 0.00 0.00 0.00 175.10 175.21 3hf9 s LEU 40 N 0.04 3.20 -0.15 3.92 2.96 -0.67 0.41 118.68 128.40 3hf9 s LEU 40 Ca 0.31 -0.10 -0.01 0.00 -0.22 0.00 0.00 54.13 54.11 3hf9 s LEU 40 Cb -0.18 -1.74 -0.01 0.00 0.50 0.00 0.00 46.19 44.76 3hf9 s LEU 40 CO 0.16 0.24 -0.11 -0.36 -1.32 0.00 0.00 176.35 174.96 3hf9 s PHE 41 N -0.08 2.86 -0.06 5.38 0.08 0.22 -1.26 117.98 125.13 3hf9 s PHE 41 Ca 0.01 -0.68 -0.01 0.00 0.12 0.00 0.00 56.93 56.37 3hf9 s PHE 41 Cb -0.13 -1.90 0.03 0.00 -0.57 0.00 0.00 43.02 40.45 3hf9 s PHE 41 CO 0.03 -0.26 0.02 0.08 -0.10 0.00 0.00 175.22 174.99 3hf9 s VAL 42 N 0.55 0.19 0.02 -0.44 1.01 0.02 -1.91 120.40 119.84 3hf9 s VAL 42 Ca -0.07 0.23 0.03 0.00 0.00 0.00 0.00 61.98 62.17 3hf9 s VAL 42 Cb -0.15 -0.38 -0.01 0.00 0.00 0.00 0.00 36.38 35.83 3hf9 s VAL 42 CO 0.03 0.23 -0.10 0.00 0.00 0.00 0.00 175.10 175.25 3hf9 s ALA 43 N 1.98 0.86 -0.07 5.51 0.00 -0.71 -0.47 121.76 128.88 3hf9 s ALA 43 Ca 0.04 -0.59 -0.30 0.00 0.00 0.00 0.00 51.96 51.11 3hf9 s ALA 43 Cb -0.12 -0.15 -0.03 0.00 0.00 0.00 0.00 23.12 22.82 3hf9 s ALA 43 CO -0.04 0.17 1.13 -1.83 0.00 0.00 0.00 175.76 175.19 3hf9 s GLU 44 N -0.73 4.38 -0.26 0.00 -1.05 -1.00 -1.30 118.70 118.74 3hf9 s GLU 44 Ca 0.01 1.58 -0.01 0.00 -0.15 0.00 0.00 54.97 56.40 3hf9 s GLU 44 Cb -0.06 -3.54 0.15 0.00 -0.44 0.00 0.00 34.13 30.24 3hf9 s GLU 44 CO 0.00 -0.39 0.43 1.21 0.95 0.00 0.00 175.26 177.46 3hf9 s ASN 45 N 1.33 -0.07 0.01 0.83 3.84 0.24 -4.66 114.94 116.47 3hf9 s ASN 45 Ca 0.53 0.20 -0.25 0.00 0.21 0.00 0.00 52.86 53.56 3hf9 s ASN 45 Cb -0.23 1.32 -0.17 0.00 -0.55 0.00 0.00 41.25 41.63 3hf9 s ASN 45 CO 0.21 -0.30 1.32 1.55 -2.79 0.00 0.00 177.10 177.08 3hf9 h PRO 46 N 8.14 -0.27 -6.72 0.43 0.13 -1.90 -3.32 132.00 128.50 3hf9 h PRO 46 Ca -0.17 0.02 -0.58 0.00 -0.87 0.00 0.00 66.00 64.40 3hf9 h PRO 46 Cb 1.15 0.06 0.13 0.00 0.13 0.00 0.00 31.00 32.47 3hf9 h PRO 46 CO 0.26 0.04 0.25 0.45 -0.23 0.00 0.00 178.00 178.78 3hf9 n SER 47 N -5.07 1.56 -0.29 1.44 2.88 -1.26 -4.84 113.62 108.04 3hf9 n SER 47 Ca -0.09 1.03 0.09 0.00 -1.33 0.00 0.00 58.87 58.57 3hf9 n SER 47 Cb 0.23 -1.40 -0.04 0.00 -0.75 0.00 0.00 64.21 62.26 3hf9 n SER 47 CO 0.00 0.00 0.00 -2.11 -1.23 0.00 0.00 175.04 171.70 3hf9 n ARG 48 N -0.02 1.35 -0.00 -1.46 1.85 -1.26 -4.50 116.66 112.62 3hf9 n ARG 48 Ca 0.09 -0.60 0.02 0.00 -1.00 0.00 0.00 57.85 56.36 3hf9 n ARG 48 Cb 0.40 -1.36 -0.03 0.00 -1.05 0.00 0.00 32.46 30.43 3hf9 n ARG 48 CO 0.00 0.00 0.00 -1.13 -0.01 0.00 0.00 177.63 176.49 3hf9 n SER 49 N -0.52 3.91 -4.64 2.89 3.41 -1.26 -4.99 113.62 112.42 3hf9 n SER 49 Ca 0.06 -0.04 -0.36 0.00 -0.26 0.00 0.00 58.87 58.27 3hf9 n SER 49 Cb 0.36 1.15 -0.10 0.00 -0.26 0.00 0.00 64.21 65.36 3hf9 n SER 49 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 3hf9 s LEU 50 N -3.16 3.97 -0.04 1.04 1.43 -1.26 -5.08 118.68 115.57 3hf9 s LEU 50 Ca -0.01 0.08 0.07 0.00 -1.03 0.00 0.00 54.13 53.24 3hf9 s LEU 50 Cb 0.02 -2.04 -0.01 0.00 0.03 0.00 0.00 46.19 44.18 3hf9 s LEU 50 CO 0.14 0.10 -0.25 -1.10 0.23 0.00 0.00 176.35 175.47 3hf9 s GLN 51 N 0.86 2.39 0.00 1.70 -0.21 -1.26 -4.83 119.66 118.30 3hf9 s GLN 51 Ca 0.06 -0.91 0.17 0.00 0.02 0.00 0.00 55.36 54.71 3hf9 s GLN 51 Cb -0.13 -2.13 -0.19 0.00 1.00 0.00 0.00 33.01 31.56 3hf9 s GLN 51 CO 0.03 0.46 0.74 1.63 -2.12 0.00 0.00 175.29 176.02 3hf9 n LYS 52 N 2.74 1.28 -4.82 2.91 5.02 -1.26 -4.94 118.16 119.09 3hf9 n LYS 52 Ca -0.17 -0.00 -0.25 0.00 -2.02 0.00 0.00 58.31 55.87 3hf9 n LYS 52 Cb 0.52 -1.32 -0.15 0.00 -0.02 0.00 0.00 35.03 34.06 3hf9 n LYS 52 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 3hf9 s ILE 53 N -2.63 1.43 0.18 -0.18 1.01 -1.26 -1.40 121.20 118.35 3hf9 s ILE 53 Ca 0.07 -0.82 -0.20 0.00 0.00 0.00 0.00 60.65 59.69 3hf9 s ILE 53 Cb 0.13 -1.20 0.05 0.00 0.01 0.00 0.00 42.46 41.45 3hf9 s ILE 53 CO 0.71 0.36 0.56 -0.55 0.00 0.00 0.00 174.94 176.02 3hf9 s SER 54 N -0.53 -0.39 -0.36 3.58 0.15 0.79 -5.00 113.70 111.94 3hf9 s SER 54 Ca 0.07 -0.25 -0.13 0.00 0.70 0.00 0.00 55.95 56.34 3hf9 s SER 54 Cb -0.07 0.59 -0.00 0.00 -1.71 0.00 0.00 66.02 64.82 3hf9 s SER 54 CO -0.00 -1.01 0.24 -0.70 1.20 0.00 0.00 173.24 172.97 3hf9 s GLU 55 N -3.81 3.30 0.07 5.44 2.12 -1.26 -0.87 118.70 123.69 3hf9 s GLU 55 Ca 0.05 -0.78 -0.18 0.00 0.36 0.00 0.00 54.97 54.42 3hf9 s GLU 55 Cb -0.01 -3.82 -0.11 0.00 0.26 0.00 0.00 34.13 30.45 3hf9 s GLU 55 CO -0.08 -0.54 1.39 -0.07 -0.54 0.00 0.00 175.26 175.43 3hf9 h LEU 56 N 8.51 0.55 -7.99 2.70 3.38 -1.75 -3.48 115.31 117.23 3hf9 h LEU 56 Ca -0.30 -0.46 0.04 0.00 0.09 0.00 0.00 57.88 57.25 3hf9 h LEU 56 Cb 1.14 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 41.71 3hf9 h LEU 56 CO 0.66 0.90 0.26 -0.47 0.09 0.00 0.00 178.44 179.88 3hf9 s TYR 57 N -4.38 -0.07 0.35 1.13 5.04 -0.77 -4.70 117.35 113.95 3hf9 s TYR 57 Ca -0.13 -0.46 0.15 0.00 -2.44 0.00 0.00 57.07 54.19 3hf9 s TYR 57 Cb 0.07 0.76 1.14 0.00 0.35 0.00 0.00 41.96 44.28 3hf9 s TYR 57 CO 0.79 -1.35 1.62 -0.44 -1.34 0.00 0.00 175.55 174.83 3hf9 h ASP 58 N 2.00 0.31 -0.00 4.32 3.32 -1.94 -2.21 116.42 122.22 3hf9 h ASP 58 Ca -0.24 0.23 0.00 0.00 0.02 0.00 0.00 57.03 57.04 3hf9 h ASP 58 Cb 1.25 0.23 0.00 0.00 0.22 0.00 0.00 39.33 41.03 3hf9 h ASP 58 CO 0.30 -0.28 0.00 0.54 -1.72 0.00 0.00 179.24 178.07 3hf9 n ARG 59 N -5.19 -0.09 -5.17 3.56 5.12 -1.26 -1.27 116.66 112.36 3hf9 n ARG 59 Ca 0.33 -0.74 -0.31 0.00 -1.93 0.00 0.00 57.85 55.20 3hf9 n ARG 59 Cb 1.07 -1.01 -0.16 0.00 -1.16 0.00 0.00 32.46 31.20 3hf9 n ARG 59 CO 0.00 0.00 0.00 0.54 -1.93 0.00 0.00 177.63 176.24 3hf9 s VAL 60 N -0.25 1.93 0.52 1.55 0.11 -0.83 -1.74 120.40 121.69 3hf9 s VAL 60 Ca 0.01 -0.99 0.04 0.00 -2.93 0.00 0.00 61.98 58.11 3hf9 s VAL 60 Cb 0.00 -1.65 0.01 0.00 -1.53 0.00 0.00 36.38 33.22 3hf9 s VAL 60 CO 0.01 0.54 0.26 -0.83 -3.33 0.00 0.00 175.10 171.75 3hf9 s GLY 61 N -0.03 2.56 -0.12 6.54 0.00 0.30 -1.84 107.32 114.73 3hf9 s GLY 61 Ca -0.06 -1.10 -0.07 0.00 0.00 0.00 0.00 44.72 43.49 3hf9 s GLY 61 CO 0.04 -2.01 0.28 -0.12 0.00 0.00 0.00 173.10 171.29 3hf9 s PHE 62 N -2.78 -0.37 -0.00 1.90 2.19 -0.05 -1.36 117.98 117.51 3hf9 s PHE 62 Ca 0.27 0.87 0.00 0.00 0.33 0.00 0.00 56.93 58.40 3hf9 s PHE 62 Cb -0.00 0.09 -0.00 0.00 -1.31 0.00 0.00 43.02 41.80 3hf9 s PHE 62 CO 0.16 -0.24 -0.01 0.00 1.83 0.00 0.00 175.22 176.96 3hf9 s ALA 63 N 1.12 0.06 0.06 11.12 0.00 -0.15 -0.15 121.76 133.83 3hf9 s ALA 63 Ca -0.08 -0.03 0.00 0.00 0.00 0.00 0.00 51.96 51.86 3hf9 s ALA 63 Cb -0.09 -0.02 -0.04 0.00 0.00 0.00 0.00 23.12 22.98 3hf9 s ALA 63 CO -0.08 0.01 -0.05 0.00 0.00 0.00 0.00 175.76 175.65 3hf9 s ALA 64 N -0.01 0.65 0.06 0.00 0.00 -0.49 0.83 121.76 122.81 3hf9 s ALA 64 Ca 0.00 -1.17 0.04 0.00 0.00 0.00 0.00 51.96 50.83 3hf9 s ALA 64 Cb -0.00 0.20 -0.03 0.00 0.00 0.00 0.00 23.12 23.29 3hf9 s ALA 64 CO -0.00 -0.28 -0.11 0.00 0.00 0.00 0.00 175.76 175.37 3hf9 s ALA 65 N -3.41 0.94 0.00 0.00 0.00 -0.37 -4.83 121.76 114.09 3hf9 s ALA 65 Ca 0.06 -0.95 0.00 0.00 0.00 0.00 0.00 51.96 51.07 3hf9 s ALA 65 Cb 0.04 -0.02 0.00 0.00 0.00 0.00 0.00 23.12 23.14 3hf9 s ALA 65 CO -0.07 0.06 0.00 0.41 0.00 0.00 0.00 175.76 176.17 3hf9 n GLY 66 N 1.22 0.45 3.67 0.00 0.00 -1.26 -1.44 105.19 107.83 3hf9 n GLY 66 Ca -0.21 -1.82 -0.43 0.00 0.00 0.00 0.00 46.02 43.56 3hf9 n GLY 66 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3hf9 s LYS 67 N -0.90 4.32 0.05 1.61 2.20 -0.79 -4.90 119.74 121.33 3hf9 s LYS 67 Ca 0.00 1.36 -0.28 0.00 -0.36 0.00 0.00 55.97 56.69 3hf9 s LYS 67 Cb 0.00 -3.60 -0.15 0.00 -1.51 0.00 0.00 37.83 32.57 3hf9 s LYS 67 CO 0.00 -0.51 1.42 0.35 -0.36 0.00 0.00 175.35 176.25 3hf9 h PHE 68 N 7.33 -0.99 -1.56 4.03 3.57 -1.96 -2.05 116.94 125.31 3hf9 h PHE 68 Ca -0.23 -0.01 0.45 0.00 3.53 0.00 0.00 57.97 61.71 3hf9 h PHE 68 Cb 1.09 0.35 -0.06 0.00 2.79 0.00 0.00 35.95 40.12 3hf9 h PHE 68 CO 0.74 -0.55 1.12 -2.95 -2.23 0.00 0.00 178.31 174.44 3hf9 h ASN 69 N -0.91 0.00 0.00 0.41 -1.07 -1.99 0.19 115.58 112.21 3hf9 h ASN 69 Ca -0.08 0.00 -0.07 0.00 0.07 0.00 0.00 56.30 56.22 3hf9 h ASN 69 Cb 0.73 0.00 -0.01 0.00 -2.07 0.00 0.00 38.32 36.97 3hf9 h ASN 69 CO 0.08 -0.00 -0.42 -0.33 0.07 0.00 0.00 177.43 176.82 3hf9 h GLU 70 N 0.00 0.00 0.00 4.14 5.08 -1.87 -2.99 114.58 118.95 3hf9 h GLU 70 Ca 0.74 0.00 -0.10 0.00 -1.00 0.00 0.00 59.36 59.00 3hf9 h GLU 70 Cb 2.98 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 32.21 3hf9 h GLU 70 CO -0.01 0.85 -0.50 0.27 -1.00 0.00 0.00 179.01 178.62 3hf9 h PHE 71 N -1.00 0.00 0.06 4.33 -5.15 -0.52 -2.55 116.94 112.11 3hf9 h PHE 71 Ca -0.11 0.00 -0.00 0.00 -0.20 0.00 0.00 57.97 57.66 3hf9 h PHE 71 Cb 0.97 0.00 0.00 0.00 0.22 0.00 0.00 35.95 37.14 3hf9 h PHE 71 CO 0.17 0.50 -0.03 0.22 -2.00 0.00 0.00 178.31 177.17 3hf9 h ASP 72 N 0.00 -0.07 -0.96 -0.68 3.58 -0.83 -0.83 116.42 116.62 3hf9 h ASP 72 Ca -0.00 -0.19 0.31 0.00 0.42 0.00 0.00 57.03 57.57 3hf9 h ASP 72 Cb 0.99 0.02 -0.17 0.00 1.72 0.00 0.00 39.33 41.89 3hf9 h ASP 72 CO 0.06 0.15 0.29 -1.13 -2.88 0.00 0.00 179.24 175.73 3hf9 h ASN 73 N -0.29 -0.01 -0.20 2.28 -1.24 -1.38 0.27 115.58 115.02 3hf9 h ASN 73 Ca -0.01 0.24 -0.16 0.00 0.71 0.00 0.00 56.30 57.08 3hf9 h ASN 73 Cb 0.25 0.33 -0.01 0.00 0.73 0.00 0.00 38.32 39.62 3hf9 h ASN 73 CO 0.01 -0.30 -0.45 -0.07 -1.29 0.00 0.00 177.43 175.33 3hf9 h LEU 74 N 0.10 0.82 -0.41 0.34 3.38 -1.02 -2.17 115.31 116.35 3hf9 h LEU 74 Ca 0.67 -0.40 0.04 0.00 0.09 0.00 0.00 57.88 58.29 3hf9 h LEU 74 Cb 1.54 -0.23 -0.04 0.00 0.09 0.00 0.00 40.66 42.02 3hf9 h LEU 74 CO -0.77 1.15 0.17 -0.09 0.09 0.00 0.00 178.44 178.98 3hf9 h ARG 75 N 0.61 0.33 0.16 1.13 2.43 0.45 -0.49 114.38 118.99 3hf9 h ARG 75 Ca 0.04 -0.02 -0.01 0.00 -0.81 0.00 0.00 59.98 59.18 3hf9 h ARG 75 Cb 1.02 -0.08 0.00 0.00 -0.42 0.00 0.00 29.97 30.50 3hf9 h ARG 75 CO 0.10 0.22 -0.08 0.00 -1.51 0.00 0.00 179.97 178.70 3hf9 h ARG 76 N 0.34 -0.21 -0.99 0.20 3.08 -1.10 -1.25 114.38 114.46 3hf9 h ARG 76 Ca 0.19 0.01 0.21 0.00 0.07 0.00 0.00 59.98 60.47 3hf9 h ARG 76 Cb 0.15 0.05 -0.09 0.00 0.08 0.00 0.00 29.97 30.15 3hf9 h ARG 76 CO -0.17 -0.09 0.62 0.78 -1.07 0.00 0.00 179.97 180.04 3hf9 h GLY 77 N -0.27 1.42 0.65 0.04 0.00 -1.19 0.12 103.07 103.84 3hf9 h GLY 77 Ca -0.02 -0.28 -0.01 0.00 0.00 0.00 0.00 47.33 47.02 3hf9 h GLY 77 CO 0.04 -0.07 -0.13 -1.33 0.00 0.00 0.00 176.54 175.04 3hf9 h GLY 78 N 0.58 -0.39 0.18 4.60 0.00 -0.57 -0.24 103.07 107.23 3hf9 h GLY 78 Ca 0.56 0.14 0.08 0.00 0.00 0.00 0.00 47.33 48.11 3hf9 h GLY 78 CO -0.31 -0.14 -0.14 -2.22 0.00 0.00 0.00 176.54 173.72 3hf9 h ILE 79 N -0.72 0.54 -0.51 2.60 2.04 -0.42 0.17 117.51 121.20 3hf9 h ILE 79 Ca -0.04 0.00 0.09 0.00 1.00 0.00 0.00 64.86 65.91 3hf9 h ILE 79 Cb 0.49 0.54 -0.10 0.00 -0.74 0.00 0.00 36.82 37.00 3hf9 h ILE 79 CO 0.06 0.00 -0.35 1.56 0.00 0.00 0.00 178.15 179.42 3hf9 h GLN 80 N -0.07 -0.21 -0.07 2.37 1.08 -0.68 -0.13 115.11 117.40 3hf9 h GLN 80 Ca 0.18 0.01 -0.00 0.00 -1.45 0.00 0.00 58.65 57.39 3hf9 h GLN 80 Cb 0.34 0.05 -0.00 0.00 -0.05 0.00 0.00 27.48 27.82 3hf9 h GLN 80 CO -0.41 -0.14 0.03 0.35 -0.95 0.00 0.00 178.83 177.71 3hf9 h PHE 81 N -0.21 0.11 0.28 2.96 3.57 -0.02 -2.67 116.94 120.95 3hf9 h PHE 81 Ca 0.20 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.69 3hf9 h PHE 81 Cb 0.55 -0.03 -0.02 0.00 2.79 0.00 0.00 35.95 39.24 3hf9 h PHE 81 CO -0.62 0.23 -0.27 0.00 -2.23 0.00 0.00 178.31 175.42 3hf9 h ALA 82 N 0.86 -0.57 -0.90 2.41 0.00 -0.05 -1.68 119.26 119.32 3hf9 h ALA 82 Ca 0.02 -0.09 0.09 0.00 0.00 0.00 0.00 54.91 54.93 3hf9 h ALA 82 Cb 0.17 0.39 -0.07 0.00 0.00 0.00 0.00 17.79 18.28 3hf9 h ALA 82 CO -0.00 -0.86 0.55 -0.44 0.00 0.00 0.00 179.25 178.50 3hf9 h ASP 83 N -0.58 0.82 0.16 0.00 3.32 -1.07 -0.34 116.42 118.73 3hf9 h ASP 83 Ca -0.01 0.03 0.00 0.00 0.02 0.00 0.00 57.03 57.08 3hf9 h ASP 83 Cb 0.54 -0.13 -0.01 0.00 0.22 0.00 0.00 39.33 39.94 3hf9 h ASP 83 CO -0.06 0.49 -0.16 0.74 -1.72 0.00 0.00 179.24 178.53 3hf9 h THR 84 N 0.94 0.65 -0.18 0.35 2.02 -1.09 -2.00 112.91 113.59 3hf9 h THR 84 Ca 0.42 0.00 0.03 0.00 0.77 0.00 0.00 66.41 67.63 3hf9 h THR 84 Cb 0.31 0.65 -0.03 0.00 -1.74 0.00 0.00 68.15 67.35 3hf9 h THR 84 CO -0.22 0.00 0.02 0.03 0.37 0.00 0.00 175.52 175.72 3hf9 h ARG 85 N -0.35 0.08 -0.84 6.66 2.47 -0.60 -1.05 114.38 120.76 3hf9 h ARG 85 Ca 0.00 -0.00 0.20 0.00 -1.26 0.00 0.00 59.98 58.92 3hf9 h ARG 85 Cb 0.33 -0.02 -0.05 0.00 -1.65 0.00 0.00 29.97 28.57 3hf9 h ARG 85 CO -0.04 0.05 0.57 0.78 0.56 0.00 0.00 179.97 181.89 3hf9 h GLY 86 N 0.09 0.61 1.07 0.04 0.00 -1.00 0.33 103.07 104.21 3hf9 h GLY 86 Ca 0.08 -0.14 -0.26 0.00 0.00 0.00 0.00 47.33 47.02 3hf9 h GLY 86 CO -0.13 0.01 -1.11 -1.82 0.00 0.00 0.00 176.54 173.49 3hf9 h TYR 87 N 0.30 0.87 0.00 5.60 3.20 -0.74 -3.33 116.97 122.88 3hf9 h TYR 87 Ca 0.42 -0.57 0.00 0.00 3.14 0.00 0.00 58.73 61.73 3hf9 h TYR 87 Cb 1.19 -0.06 0.00 0.00 1.54 0.00 0.00 36.73 39.40 3hf9 h TYR 87 CO -0.00 1.42 -0.09 0.00 -1.64 0.00 0.00 178.16 177.85 3hf9 n ALA 88 N -2.67 2.53 -2.00 1.82 0.00 -0.46 -4.80 120.51 114.93 3hf9 n ALA 88 Ca -0.14 -0.14 0.00 0.00 0.00 0.00 0.00 53.44 53.16 3hf9 n ALA 88 Cb 0.93 -1.41 0.00 0.00 0.00 0.00 0.00 19.45 18.97 3hf9 n ALA 88 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3hf9 n TYR 89 N -1.55 0.00 -4.31 0.00 4.01 0.03 -5.06 117.16 110.28 3hf9 n TYR 89 Ca 0.07 0.00 -0.16 0.00 -0.16 0.00 0.00 57.90 57.64 3hf9 n TYR 89 Cb 0.35 0.00 -0.10 0.00 -0.31 0.00 0.00 39.34 39.27 3hf9 n TYR 89 CO 0.00 0.00 0.00 0.16 -0.46 0.00 0.00 176.86 176.56 3hf9 s ASP 90 N 1.00 1.65 0.55 7.72 3.84 -1.25 -4.99 116.67 125.19 3hf9 s ASP 90 Ca 0.00 -1.23 0.33 0.00 -0.00 0.00 0.00 52.55 51.66 3hf9 s ASP 90 Cb 0.00 0.04 1.38 0.00 -1.38 0.00 0.00 42.92 42.96 3hf9 s ASP 90 CO 0.00 -0.54 1.99 0.03 -0.00 0.00 0.00 175.17 176.65 3hf9 h ARG 91 N 2.51 0.00 -0.27 2.11 3.08 -1.91 -2.95 114.38 116.95 3hf9 h ARG 91 Ca -0.38 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.67 3hf9 h ARG 91 Cb 1.22 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.27 3hf9 h ARG 91 CO 0.64 0.02 0.00 0.54 -1.07 0.00 0.00 179.97 180.10 3hf9 n ARG 92 N -3.13 1.74 0.09 0.04 1.74 -1.26 -3.36 116.66 112.52 3hf9 n ARG 92 Ca 0.00 -1.14 -0.01 0.00 -0.77 0.00 0.00 57.85 55.93 3hf9 n ARG 92 Cb 0.30 -1.31 -0.05 0.00 -1.02 0.00 0.00 32.46 30.39 3hf9 n ARG 92 CO 0.00 0.00 0.00 0.22 -1.52 0.00 0.00 177.63 176.33 3hf9 h ASP 93 N 2.01 0.00 -2.91 0.55 3.58 -1.89 -3.44 116.42 114.32 3hf9 h ASP 93 Ca 0.00 0.00 -0.57 0.00 0.42 0.00 0.00 57.03 56.88 3hf9 h ASP 93 Cb 0.45 0.00 -0.04 0.00 1.72 0.00 0.00 39.33 41.46 3hf9 h ASP 93 CO 0.00 0.69 0.90 -0.69 -2.88 0.00 0.00 179.24 177.27 3hf9 s VAL 94 N -2.86 4.28 0.08 2.25 1.01 -1.21 -4.94 120.40 119.01 3hf9 s VAL 94 Ca 0.01 1.54 0.03 0.00 0.00 0.00 0.00 61.98 63.57 3hf9 s VAL 94 Cb 0.08 -4.00 -0.03 0.00 0.00 0.00 0.00 36.38 32.44 3hf9 s VAL 94 CO 0.78 -0.13 -0.09 0.42 0.00 0.00 0.00 175.10 176.08 3hf9 s THR 95 N 3.48 0.77 0.13 3.92 -4.23 -1.26 -4.95 115.64 113.50 3hf9 s THR 95 Ca 0.55 -1.46 -0.21 0.00 -1.18 0.00 0.00 61.69 59.38 3hf9 s THR 95 Cb -0.22 -1.13 -0.03 0.00 1.34 0.00 0.00 72.50 72.46 3hf9 s THR 95 CO 0.15 -0.52 1.69 1.23 -0.54 0.00 0.00 174.62 176.63 3hf9 h GLY 96 N 3.85 0.05 -0.81 3.99 0.00 -1.94 -1.72 103.07 106.50 3hf9 h GLY 96 Ca -0.37 0.11 0.15 0.00 0.00 0.00 0.00 47.33 47.22 3hf9 h GLY 96 CO 0.49 -0.10 -0.34 -0.09 0.00 0.00 0.00 176.54 176.51 3hf9 h ARG 97 N -0.08 -0.04 0.49 4.80 1.12 -1.96 -1.47 114.38 117.25 3hf9 h ARG 97 Ca 0.09 0.00 -0.02 0.00 -1.11 0.00 0.00 59.98 58.94 3hf9 h ARG 97 Cb 0.21 0.01 0.00 0.00 -0.01 0.00 0.00 29.97 30.18 3hf9 h ARG 97 CO -0.20 -0.03 -0.23 0.37 -3.11 0.00 0.00 179.97 176.77 3hf9 h GLN 98 N -0.04 -0.63 -0.52 0.20 4.15 -1.74 -2.51 115.11 114.01 3hf9 h GLN 98 Ca 0.34 0.04 0.08 0.00 0.77 0.00 0.00 58.65 59.88 3hf9 h GLN 98 Cb 0.60 0.14 -0.06 0.00 0.21 0.00 0.00 27.48 28.37 3hf9 h GLN 98 CO -0.90 -0.36 0.17 -0.07 -1.93 0.00 0.00 178.83 175.74 3hf9 h LEU 99 N -0.80 0.14 -0.27 -2.39 3.38 -0.89 -1.39 115.31 113.08 3hf9 h LEU 99 Ca -0.07 0.07 0.04 0.00 0.09 0.00 0.00 57.88 58.02 3hf9 h LEU 99 Cb 0.57 0.07 -0.04 0.00 0.09 0.00 0.00 40.66 41.35 3hf9 h LEU 99 CO 0.11 0.10 0.02 0.00 0.09 0.00 0.00 178.44 178.76 3hf9 h ALA 100 N 1.37 0.26 -0.77 1.53 0.00 -1.30 -0.20 119.26 120.15 3hf9 h ALA 100 Ca 0.26 0.07 0.18 0.00 0.00 0.00 0.00 54.91 55.41 3hf9 h ALA 100 Cb 0.31 0.10 -0.12 0.00 0.00 0.00 0.00 17.79 18.08 3hf9 h ALA 100 CO -0.28 -0.40 0.11 -0.97 0.00 0.00 0.00 179.25 177.71 3hf9 h ASN 101 N 0.11 -0.15 -0.15 0.00 -0.73 -0.91 0.31 115.58 114.06 3hf9 h ASN 101 Ca 0.13 0.18 -0.02 0.00 1.87 0.00 0.00 56.30 58.46 3hf9 h ASN 101 Cb 0.15 0.27 -0.01 0.00 0.27 0.00 0.00 38.32 39.01 3hf9 h ASN 101 CO -0.20 -0.12 0.03 0.58 -0.37 0.00 0.00 177.43 177.35 3hf9 h VAL 102 N 0.18 1.21 -0.86 2.57 2.07 -0.19 -1.91 116.25 119.32 3hf9 h VAL 102 Ca 0.44 -0.68 0.01 0.00 0.82 0.00 0.00 66.70 67.28 3hf9 h VAL 102 Cb 0.78 1.38 -0.04 0.00 -1.52 0.00 0.00 31.29 31.89 3hf9 h VAL 102 CO -0.60 0.20 0.57 1.88 0.02 0.00 0.00 177.57 179.64 3hf9 h TYR 103 N 0.03 1.08 0.24 1.57 0.05 -0.48 -1.36 116.97 118.10 3hf9 h TYR 103 Ca 0.05 0.03 0.01 0.00 0.05 0.00 0.00 58.73 58.86 3hf9 h TYR 103 Cb 0.29 -0.36 -0.03 0.00 1.01 0.00 0.00 36.73 37.64 3hf9 h TYR 103 CO 0.01 0.68 -0.31 0.00 -1.05 0.00 0.00 178.16 177.49 3hf9 h ALA 104 N 1.47 -0.61 0.00 3.88 0.00 -0.12 0.03 119.26 123.91 3hf9 h ALA 104 Ca 0.32 -0.08 -0.02 0.00 0.00 0.00 0.00 54.91 55.12 3hf9 h ALA 104 Cb -0.13 0.46 -0.00 0.00 0.00 0.00 0.00 17.79 18.12 3hf9 h ALA 104 CO -0.07 -0.88 -0.09 1.96 0.00 0.00 0.00 179.25 180.17 3hf9 h GLN 105 N -0.60 0.00 0.05 0.00 4.20 -1.06 0.28 115.11 117.97 3hf9 h GLN 105 Ca 0.00 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.71 3hf9 h GLN 105 Cb 0.58 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.36 3hf9 h GLN 105 CO -0.10 0.09 -0.02 1.15 -0.67 0.00 0.00 178.83 179.28 3hf9 h THR 106 N 0.00 0.88 -0.94 -0.54 2.02 -0.88 -2.15 112.91 111.29 3hf9 h THR 106 Ca -0.00 -1.53 0.06 0.00 0.77 0.00 0.00 66.41 65.71 3hf9 h THR 106 Cb 0.24 1.62 -0.06 0.00 -1.74 0.00 0.00 68.15 68.21 3hf9 h THR 106 CO 0.01 0.28 0.61 -0.07 0.37 0.00 0.00 175.52 176.73 3hf9 h LEU 107 N -0.97 0.97 0.04 2.58 3.38 -0.90 -1.19 115.31 119.24 3hf9 h LEU 107 Ca -0.01 0.00 0.02 0.00 0.09 0.00 0.00 57.88 57.99 3hf9 h LEU 107 Cb 0.51 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 41.02 3hf9 h LEU 107 CO 0.01 0.63 -0.21 1.23 0.09 0.00 0.00 178.44 180.20 3hf9 h GLY 108 N 1.11 -0.32 0.80 0.83 0.00 -0.52 -0.02 103.07 104.94 3hf9 h GLY 108 Ca 0.40 0.24 0.02 0.00 0.00 0.00 0.00 47.33 47.99 3hf9 h GLY 108 CO -0.15 -0.19 -0.05 -0.84 0.00 0.00 0.00 176.54 175.32 3hf9 h THR 109 N -0.35 0.86 -0.38 4.70 2.02 -1.07 -2.52 112.91 116.16 3hf9 h THR 109 Ca 0.05 0.00 0.06 0.00 0.77 0.00 0.00 66.41 67.29 3hf9 h THR 109 Cb 0.41 0.86 -0.05 0.00 -1.74 0.00 0.00 68.15 67.62 3hf9 h THR 109 CO -0.16 0.00 0.06 0.40 0.37 0.00 0.00 175.52 176.19 3hf9 h ILE 110 N -0.06 0.78 -0.16 3.11 2.04 -1.12 0.33 117.51 122.43 3hf9 h ILE 110 Ca 0.04 -0.06 0.04 0.00 1.00 0.00 0.00 64.86 65.88 3hf9 h ILE 110 Cb 0.12 0.59 -0.01 0.00 -0.74 0.00 0.00 36.82 36.78 3hf9 h ILE 110 CO -0.10 0.03 0.11 0.15 0.00 0.00 0.00 178.15 178.35 3hf9 h PHE 111 N 0.18 0.04 0.01 1.37 3.57 -0.87 -1.92 116.94 119.32 3hf9 h PHE 111 Ca 0.18 0.00 -0.20 0.00 3.53 0.00 0.00 57.97 61.49 3hf9 h PHE 111 Cb 0.23 -0.01 -0.03 0.00 2.79 0.00 0.00 35.95 38.93 3hf9 h PHE 111 CO -0.21 0.02 -1.06 1.15 -2.23 0.00 0.00 178.31 175.98 3hf9 h THR 112 N 0.04 1.07 0.00 4.41 2.02 -0.89 -3.44 112.91 116.11 3hf9 h THR 112 Ca 0.07 -2.22 0.00 0.00 0.77 0.00 0.00 66.41 65.03 3hf9 h THR 112 Cb 0.25 2.45 0.00 0.00 -1.74 0.00 0.00 68.15 69.11 3hf9 h THR 112 CO -0.00 0.39 -1.10 -0.62 0.37 0.00 0.00 175.52 174.56 3hf9 n GLU 113 N -4.43 1.59 -2.40 6.66 1.02 0.11 -4.98 120.64 118.21 3hf9 n GLU 113 Ca -0.28 -0.06 -0.25 0.00 -0.02 0.00 0.00 57.16 56.56 3hf9 n GLU 113 Cb 0.66 -1.21 0.09 0.00 -0.02 0.00 0.00 31.44 30.96 3hf9 n GLU 113 CO 0.00 0.00 0.00 -0.65 1.18 0.00 0.00 177.13 177.66 3hf9 s GLN 114 N -2.56 1.86 0.09 3.49 -0.21 -0.73 -5.01 119.66 116.59 3hf9 s GLN 114 Ca 0.00 -0.71 -0.14 0.00 0.02 0.00 0.00 55.36 54.53 3hf9 s GLN 114 Cb 0.09 -2.25 -0.14 0.00 1.00 0.00 0.00 33.01 31.71 3hf9 s GLN 114 CO 0.54 -1.37 1.33 0.00 -2.12 0.00 0.00 175.29 173.67 3hf9 h ALA 115 N -0.58 0.33 -3.74 6.09 0.00 -1.94 -3.44 119.26 115.98 3hf9 h ALA 115 Ca -0.41 -0.52 -0.48 0.00 0.00 0.00 0.00 54.91 53.51 3hf9 h ALA 115 Cb 1.28 -0.04 -0.32 0.00 0.00 0.00 0.00 17.79 18.72 3hf9 h ALA 115 CO 0.48 0.55 -0.80 0.21 0.00 0.00 0.00 179.25 179.68 3hf9 s LYS 116 N -3.93 1.30 0.59 0.00 2.20 -1.26 -5.13 119.74 113.51 3hf9 s LYS 116 Ca -0.11 -0.39 -0.20 0.00 -0.36 0.00 0.00 55.97 54.91 3hf9 s LYS 116 Cb 0.08 -1.15 -0.03 0.00 -1.51 0.00 0.00 37.83 35.21 3hf9 s LYS 116 CO 0.87 0.12 1.28 -1.25 -0.36 0.00 0.00 175.35 176.01 3hf9 s PRO 117 N 0.28 2.92 0.02 4.03 0.04 -1.26 -4.86 135.00 136.16 3hf9 s PRO 117 Ca -0.06 2.03 -0.30 0.00 0.04 0.00 0.00 61.00 62.71 3hf9 s PRO 117 Cb -0.11 -2.03 -0.05 0.00 0.04 0.00 0.00 34.50 32.35 3hf9 s PRO 117 CO 0.01 -1.30 1.27 0.71 0.04 0.00 0.00 177.00 177.73 3hf9 s TYR 118 N -1.43 3.20 -1.34 0.56 1.51 -1.26 -4.89 117.35 113.69 3hf9 s TYR 118 Ca 0.77 1.12 -0.13 0.00 -1.01 0.00 0.00 57.07 57.82 3hf9 s TYR 118 Cb -0.36 -3.51 0.11 0.00 -0.11 0.00 0.00 41.96 38.09 3hf9 s TYR 118 CO 0.40 -1.68 1.95 0.39 -1.11 0.00 0.00 175.55 175.49 3hf9 n GLU 119 N 4.67 3.25 -4.09 -0.62 1.02 -1.26 -4.69 120.64 118.92 3hf9 n GLU 119 Ca 0.11 -3.18 -0.09 0.00 -0.02 0.00 0.00 57.16 53.98 3hf9 n GLU 119 Cb 0.45 -3.15 -0.09 0.00 -0.02 0.00 0.00 31.44 28.63 3hf9 n GLU 119 CO 0.00 0.00 0.00 0.14 1.18 0.00 0.00 177.13 178.45 3hf9 s VAL 120 N 2.06 0.11 -0.11 2.62 -7.23 -1.26 -1.88 120.40 114.71 3hf9 s VAL 120 Ca 0.45 -1.75 -0.04 0.00 -1.81 0.00 0.00 61.98 58.82 3hf9 s VAL 120 Cb 0.09 -1.92 0.06 0.00 0.56 0.00 0.00 36.38 35.17 3hf9 s VAL 120 CO -0.02 -0.49 0.21 -0.70 -0.31 0.00 0.00 175.10 173.79 3hf9 s GLU 121 N -4.01 0.10 0.11 4.82 2.12 -0.52 -3.34 118.70 117.98 3hf9 s GLU 121 Ca 0.20 0.65 0.04 0.00 0.36 0.00 0.00 54.97 56.22 3hf9 s GLU 121 Cb 0.06 -0.14 -0.04 0.00 0.26 0.00 0.00 34.13 34.27 3hf9 s GLU 121 CO -0.00 -0.29 0.11 -0.51 -0.54 0.00 0.00 175.26 174.02 3hf9 s LEU 122 N 2.31 3.83 -0.07 2.70 1.02 -0.30 -1.24 118.68 126.94 3hf9 s LEU 122 Ca 0.02 -0.04 0.00 0.00 0.02 0.00 0.00 54.13 54.13 3hf9 s LEU 122 Cb -0.12 -2.48 0.02 0.00 0.02 0.00 0.00 46.19 43.63 3hf9 s LEU 122 CO -0.07 0.13 -0.05 0.00 0.02 0.00 0.00 176.35 176.38 3hf9 s VAL 124 N 1.27 3.63 -0.07 0.00 1.01 -0.58 -0.97 120.40 124.67 3hf9 s VAL 124 Ca -0.05 -0.42 0.05 0.00 0.00 0.00 0.00 61.98 61.56 3hf9 s VAL 124 Cb -0.14 -2.64 -0.01 0.00 0.00 0.00 0.00 36.38 33.59 3hf9 s VAL 124 CO -0.02 0.43 -0.22 0.00 0.00 0.00 0.00 175.10 175.29 3hf9 s ALA 125 N 1.17 2.29 0.10 5.51 0.00 -0.47 -1.26 121.76 129.10 3hf9 s ALA 125 Ca 0.02 -1.01 0.08 0.00 0.00 0.00 0.00 51.96 51.06 3hf9 s ALA 125 Cb -0.14 -0.80 -0.04 0.00 0.00 0.00 0.00 23.12 22.14 3hf9 s ALA 125 CO 0.00 0.39 -0.16 -2.00 0.00 0.00 0.00 175.76 173.99 3hf9 s GLU 126 N -0.09 1.91 0.23 0.00 2.12 -0.65 -0.54 118.70 121.69 3hf9 s GLU 126 Ca -0.05 -1.11 0.05 0.00 0.36 0.00 0.00 54.97 54.23 3hf9 s GLU 126 Cb -0.14 -2.17 -0.05 0.00 0.26 0.00 0.00 34.13 32.02 3hf9 s GLU 126 CO 0.04 0.50 -0.06 0.54 -0.54 0.00 0.00 175.26 175.74 3hf9 s VAL 127 N -1.12 1.38 0.54 3.70 0.11 -0.71 -2.21 120.40 122.08 3hf9 s VAL 127 Ca 0.18 -2.10 -0.20 0.00 -2.93 0.00 0.00 61.98 56.94 3hf9 s VAL 127 Cb -0.11 -2.27 -0.05 0.00 -1.53 0.00 0.00 36.38 32.42 3hf9 s VAL 127 CO 0.10 -0.41 1.16 0.00 -3.33 0.00 0.00 175.10 172.62 3hf9 s ALA 128 N -3.19 2.70 0.78 1.54 0.00 -1.26 -4.88 121.76 117.45 3hf9 s ALA 128 Ca 0.26 0.90 -0.13 0.00 0.00 0.00 0.00 51.96 53.00 3hf9 s ALA 128 Cb 0.04 -3.39 0.07 0.00 0.00 0.00 0.00 23.12 19.83 3hf9 s ALA 128 CO 0.08 -0.87 1.16 -1.01 0.00 0.00 0.00 175.76 175.12 3hf9 s HIS 129 N -1.68 2.10 0.08 0.00 3.76 -1.26 -4.87 115.29 113.42 3hf9 s HIS 129 Ca 0.73 1.64 -0.15 0.00 -0.15 0.00 0.00 55.06 57.13 3hf9 s HIS 129 Cb -0.27 -3.32 -0.04 0.00 1.11 0.00 0.00 32.58 30.07 3hf9 s HIS 129 CO 0.30 -2.40 1.26 -0.92 -0.85 0.00 0.00 174.74 172.14 3hf9 h TYR 130 N -0.86 -0.92 0.03 1.40 3.20 -1.82 -2.53 116.97 115.48 3hf9 h TYR 130 Ca -0.45 0.06 0.02 0.00 3.14 0.00 0.00 58.73 61.50 3hf9 h TYR 130 Cb 1.27 0.46 -0.03 0.00 1.54 0.00 0.00 36.73 39.96 3hf9 h TYR 130 CO 0.51 -0.19 -0.20 0.78 -1.64 0.00 0.00 178.16 177.42 3hf9 h GLY 131 N -0.02 -0.31 -0.86 1.82 0.00 -1.91 -3.47 103.07 98.33 3hf9 h GLY 131 Ca 0.07 0.24 -0.44 0.00 0.00 0.00 0.00 47.33 47.20 3hf9 h GLY 131 CO -0.44 -0.18 0.40 -1.83 0.00 0.00 0.00 176.54 174.48 3hf9 s GLU 132 N -6.10 0.28 -0.10 4.80 -1.05 -0.95 -5.08 118.70 110.49 3hf9 s GLU 132 Ca -0.15 -0.44 0.03 0.00 -0.15 0.00 0.00 54.97 54.27 3hf9 s GLU 132 Cb 0.09 -1.81 0.00 0.00 -0.44 0.00 0.00 34.13 31.97 3hf9 s GLU 132 CO 0.66 -2.65 -0.21 0.95 0.95 0.00 0.00 175.26 174.96 3hf9 s THR 133 N -3.83 1.83 -0.01 1.83 -4.23 -1.26 -4.74 115.64 105.23 3hf9 s THR 133 Ca 0.75 -0.88 -0.29 0.00 -1.18 0.00 0.00 61.69 60.09 3hf9 s THR 133 Cb -0.04 -1.60 0.08 0.00 1.34 0.00 0.00 72.50 72.28 3hf9 s THR 133 CO 0.54 0.51 0.71 -0.75 -0.54 0.00 0.00 174.62 175.08 3hf9 s LYS 134 N 0.50 1.05 -0.11 3.99 2.20 -1.26 -5.08 119.74 121.04 3hf9 s LYS 134 Ca -0.16 0.05 -0.28 0.00 -0.36 0.00 0.00 55.97 55.23 3hf9 s LYS 134 Cb -0.17 0.49 -0.02 0.00 -1.51 0.00 0.00 37.83 36.62 3hf9 s LYS 134 CO 0.06 -0.37 0.91 0.50 -0.36 0.00 0.00 175.35 176.09 3hf9 s ARG 135 N -1.87 4.40 0.14 4.03 3.52 -1.26 -4.58 118.95 123.34 3hf9 s ARG 135 Ca -0.06 1.22 -0.33 0.00 -0.13 0.00 0.00 55.73 56.43 3hf9 s ARG 135 Cb -0.00 -3.53 -0.17 0.00 -1.56 0.00 0.00 34.95 29.68 3hf9 s ARG 135 CO 0.03 -0.24 0.89 -2.30 -0.81 0.00 0.00 175.30 172.86 3hf9 n PRO 136 N 4.79 0.41 -4.41 5.12 -0.02 -1.26 -4.90 135.00 134.73 3hf9 n PRO 136 Ca 0.06 0.15 -0.34 0.00 -2.02 0.00 0.00 63.50 61.34 3hf9 n PRO 136 Cb 0.49 -1.45 -0.10 0.00 -0.02 0.00 0.00 33.50 32.42 3hf9 n PRO 136 CO 0.00 0.00 0.00 -1.21 1.98 0.00 0.00 175.50 176.27 3hf9 s GLU 137 N -0.58 3.09 -0.02 -0.52 2.02 -0.94 -4.96 118.70 116.79 3hf9 s GLU 137 Ca 0.74 -0.45 0.07 0.00 0.02 0.00 0.00 54.97 55.34 3hf9 s GLU 137 Cb -0.99 -2.79 -0.02 0.00 0.10 0.00 0.00 34.13 30.43 3hf9 s GLU 137 CO 0.55 0.60 -0.22 -0.51 0.02 0.00 0.00 175.26 175.70 3hf9 s LEU 138 N -0.61 2.04 -0.03 1.80 1.02 -1.22 -1.63 118.68 120.05 3hf9 s LEU 138 Ca 0.10 -0.41 0.04 0.00 0.02 0.00 0.00 54.13 53.88 3hf9 s LEU 138 Cb -0.12 -1.16 -0.00 0.00 0.02 0.00 0.00 46.19 44.93 3hf9 s LEU 138 CO 0.02 0.27 -0.14 -0.31 0.02 0.00 0.00 176.35 176.21 3hf9 s TYR 139 N -0.48 1.37 -0.23 0.29 1.51 -0.39 -2.80 117.35 116.61 3hf9 s TYR 139 Ca 0.07 -0.34 -0.04 0.00 -1.01 0.00 0.00 57.07 55.76 3hf9 s TYR 139 Cb -0.09 -0.92 0.00 0.00 -0.11 0.00 0.00 41.96 40.84 3hf9 s TYR 139 CO -0.01 -0.10 -0.04 0.50 -1.11 0.00 0.00 175.55 174.80 3hf9 s ARG 140 N -0.06 3.21 -0.15 -0.62 3.52 -0.11 -1.53 118.95 123.22 3hf9 s ARG 140 Ca -0.00 -0.73 -0.04 0.00 -0.13 0.00 0.00 55.73 54.82 3hf9 s ARG 140 Cb -0.09 -3.03 -0.03 0.00 -1.56 0.00 0.00 34.95 30.24 3hf9 s ARG 140 CO 0.01 -0.27 -0.00 0.42 -0.81 0.00 0.00 175.30 174.64 3hf9 s ILE 141 N 1.44 4.22 0.47 4.11 1.09 -0.60 -0.92 121.20 131.01 3hf9 s ILE 141 Ca 0.04 -0.25 0.07 0.00 -1.10 0.00 0.00 60.65 59.41 3hf9 s ILE 141 Cb -0.15 -2.85 -0.00 0.00 -1.06 0.00 0.00 42.46 38.40 3hf9 s ILE 141 CO -0.03 0.51 0.34 0.42 -0.10 0.00 0.00 174.94 176.07 3hf9 s THR 142 N 0.07 2.11 0.64 2.92 -4.23 -0.81 -1.15 115.64 115.19 3hf9 s THR 142 Ca 0.02 -1.50 0.27 0.00 -1.18 0.00 0.00 61.69 59.29 3hf9 s THR 142 Cb -0.13 -2.61 0.27 0.00 1.34 0.00 0.00 72.50 71.36 3hf9 s THR 142 CO 0.02 0.00 1.81 0.10 -0.54 0.00 0.00 174.62 176.01 3hf9 h TYR 143 N 1.01 0.00 -0.02 3.99 -0.00 -1.83 -1.22 116.97 118.90 3hf9 h TYR 143 Ca -0.40 0.00 0.00 0.00 -0.00 0.00 0.00 58.73 58.33 3hf9 h TYR 143 Cb 1.28 0.00 0.00 0.00 -0.00 0.00 0.00 36.73 38.01 3hf9 h TYR 143 CO 0.76 0.00 -0.05 -0.40 -0.00 0.00 0.00 178.16 178.47 3hf9 n ASP 144 N -2.82 2.06 0.00 0.10 5.75 -1.26 -4.56 116.55 115.81 3hf9 n ASP 144 Ca -0.02 -1.53 0.00 0.00 -0.01 0.00 0.00 54.79 53.23 3hf9 n ASP 144 Cb 0.44 0.08 0.00 0.00 -1.03 0.00 0.00 41.12 40.61 3hf9 n ASP 144 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3hf9 n GLY 145 N 0.84 0.22 3.74 6.12 0.00 -0.46 -4.13 105.19 111.52 3hf9 n GLY 145 Ca 0.08 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.68 3hf9 n GLY 145 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3hf9 s SER 146 N -2.40 6.57 -0.13 1.61 0.01 -1.26 -4.72 113.70 113.38 3hf9 s SER 146 Ca 0.00 2.72 0.01 0.00 1.31 0.00 0.00 55.95 59.99 3hf9 s SER 146 Cb 0.00 -2.62 0.02 0.00 0.21 0.00 0.00 66.02 63.63 3hf9 s SER 146 CO 0.00 -0.79 -0.14 -0.51 0.41 0.00 0.00 173.24 172.20 3hf9 s ILE 147 N 0.40 1.50 0.16 1.44 2.07 -1.26 -1.93 121.20 123.59 3hf9 s ILE 147 Ca 0.64 -0.62 0.08 0.00 -1.41 0.00 0.00 60.65 59.34 3hf9 s ILE 147 Cb -0.44 -1.40 -0.04 0.00 0.13 0.00 0.00 42.46 40.71 3hf9 s ILE 147 CO 0.40 0.44 -0.06 0.00 -1.91 0.00 0.00 174.94 173.82 3hf9 s ALA 148 N 1.24 3.06 -0.37 1.50 0.00 -0.09 -4.98 121.76 122.12 3hf9 s ALA 148 Ca -0.01 -1.37 0.01 0.00 0.00 0.00 0.00 51.96 50.59 3hf9 s ALA 148 Cb -0.14 -0.88 0.12 0.00 0.00 0.00 0.00 23.12 22.21 3hf9 s ALA 148 CO -0.06 0.52 0.15 0.16 0.00 0.00 0.00 175.76 176.53 3hf9 s ASP 149 N -2.72 3.99 0.61 0.00 -4.77 -1.26 -0.93 116.67 111.59 3hf9 s ASP 149 Ca 0.25 -2.16 -0.13 0.00 -3.30 0.00 0.00 52.55 47.22 3hf9 s ASP 149 Cb -0.10 -1.06 -0.03 0.00 -1.09 0.00 0.00 42.92 40.64 3hf9 s ASP 149 CO 0.16 -0.34 1.03 -1.61 0.70 0.00 0.00 175.17 175.11 3hf9 s GLU 150 N 0.94 3.43 -0.09 2.11 2.02 -1.12 -4.94 118.70 121.05 3hf9 s GLU 150 Ca 0.13 0.94 0.18 0.00 0.02 0.00 0.00 54.97 56.25 3hf9 s GLU 150 Cb -0.21 -2.06 -0.27 0.00 0.10 0.00 0.00 34.13 31.69 3hf9 s GLU 150 CO -0.12 -0.70 0.28 -0.35 0.02 0.00 0.00 175.26 174.40 3hf9 n PRO 151 N -2.47 0.77 -0.01 0.39 -0.05 -1.26 -3.41 135.00 128.96 3hf9 n PRO 151 Ca 0.07 -0.11 -0.05 0.00 -0.05 0.00 0.00 63.50 63.36 3hf9 n PRO 151 Cb 0.54 -1.46 -0.02 0.00 -0.05 0.00 0.00 33.50 32.51 3hf9 n PRO 151 CO 0.00 0.00 0.00 0.72 -0.05 0.00 0.00 175.50 176.17 3hf9 n HIS 152 N -2.37 0.00 -4.03 0.54 8.25 -1.26 -4.77 115.22 111.58 3hf9 n HIS 152 Ca -0.14 0.00 -0.10 0.00 -0.26 0.00 0.00 57.72 57.22 3hf9 n HIS 152 Cb 0.73 -0.21 -0.07 0.00 1.12 0.00 0.00 29.99 31.56 3hf9 n HIS 152 CO 0.00 0.00 0.00 -0.59 0.64 0.00 0.00 176.34 176.39 3hf9 s PHE 153 N -2.19 0.58 -0.03 4.41 -0.12 -1.26 0.11 117.98 119.48 3hf9 s PHE 153 Ca -0.09 -0.91 -0.01 0.00 -0.05 0.00 0.00 56.93 55.86 3hf9 s PHE 153 Cb 0.03 -0.13 0.02 0.00 -0.63 0.00 0.00 43.02 42.30 3hf9 s PHE 153 CO 0.13 -0.76 0.06 0.08 -0.05 0.00 0.00 175.22 174.68 3hf9 s VAL 154 N -4.03 -0.03 -0.07 -2.49 1.01 0.57 -4.81 120.40 110.55 3hf9 s VAL 154 Ca 0.23 0.10 0.04 0.00 0.00 0.00 0.00 61.98 62.35 3hf9 s VAL 154 Cb 0.03 -0.10 0.00 0.00 0.00 0.00 0.00 36.38 36.31 3hf9 s VAL 154 CO 0.05 0.04 -0.18 -0.69 0.00 0.00 0.00 175.10 174.32 3hf9 s VAL 155 N 0.56 1.57 0.04 2.92 1.01 -1.26 -1.36 120.40 123.88 3hf9 s VAL 155 Ca -0.04 -0.75 0.03 0.00 0.00 0.00 0.00 61.98 61.21 3hf9 s VAL 155 Cb -0.06 -1.37 -0.02 0.00 0.00 0.00 0.00 36.38 34.92 3hf9 s VAL 155 CO -0.02 0.45 -0.09 -0.04 0.00 0.00 0.00 175.10 175.40 3hf9 s MET 156 N 0.34 0.58 0.29 2.72 -1.94 -0.52 -4.99 119.30 115.78 3hf9 s MET 156 Ca -0.12 -0.72 0.00 0.00 -1.71 0.00 0.00 55.69 53.14 3hf9 s MET 156 Cb -0.15 -0.42 0.00 0.00 2.01 0.00 0.00 34.83 36.27 3hf9 s MET 156 CO 0.05 0.09 0.00 0.41 -0.01 0.00 0.00 175.02 175.56 3hf9 n GLY 157 N 1.63 -2.93 7.00 -0.03 0.00 -1.26 -0.75 105.19 108.85 3hf9 n GLY 157 Ca -0.21 -1.26 0.00 0.00 0.00 0.00 0.00 46.02 44.55 3hf9 n GLY 157 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hf9 n GLY 158 N -3.14 1.02 3.48 -0.02 0.00 -0.75 -4.29 105.19 101.49 3hf9 n GLY 158 Ca -0.04 -0.63 -0.43 0.00 0.00 0.00 0.00 46.02 44.91 3hf9 n GLY 158 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3hf9 s THR 159 N 0.00 4.78 0.05 2.61 -4.23 -1.26 -4.51 115.64 113.08 3hf9 s THR 159 Ca 0.00 -0.21 -0.13 0.00 -1.18 0.00 0.00 61.69 60.17 3hf9 s THR 159 Cb 0.00 -4.32 -0.33 0.00 1.34 0.00 0.00 72.50 69.20 3hf9 s THR 159 CO 0.00 -0.80 1.06 0.71 -0.54 0.00 0.00 174.62 175.04 3hf9 h THR 160 N 5.89 1.32 -0.39 3.99 1.35 -1.94 -3.38 112.91 119.76 3hf9 h THR 160 Ca -0.27 -2.71 0.08 0.00 -0.55 0.00 0.00 66.41 62.97 3hf9 h THR 160 Cb 1.09 2.94 -0.08 0.00 -1.73 0.00 0.00 68.15 70.37 3hf9 h THR 160 CO 0.97 0.81 -0.18 -0.33 -0.25 0.00 0.00 175.52 176.54 3hf9 h GLU 161 N 0.17 -0.10 -0.44 4.72 3.07 -1.96 0.20 114.58 120.23 3hf9 h GLU 161 Ca -0.22 0.01 0.13 0.00 -0.50 0.00 0.00 59.36 58.78 3hf9 h GLU 161 Cb 2.07 0.02 -0.02 0.00 -0.84 0.00 0.00 28.75 29.98 3hf9 h GLU 161 CO 0.25 -0.07 0.32 -1.35 -1.40 0.00 0.00 179.01 176.77 3hf9 h PRO 162 N -0.10 0.01 0.14 2.33 0.11 -1.91 0.22 132.00 132.79 3hf9 h PRO 162 Ca 0.19 -0.00 -0.36 0.00 0.11 0.00 0.00 66.00 65.94 3hf9 h PRO 162 Cb 0.40 -0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.49 3hf9 h PRO 162 CO -0.45 0.01 -1.93 0.82 -0.21 0.00 0.00 178.00 176.23 3hf9 h ILE 163 N 0.01 0.69 -0.68 4.15 2.04 -1.33 -2.79 117.51 119.60 3hf9 h ILE 163 Ca 0.21 -2.37 -0.03 0.00 1.00 0.00 0.00 64.86 63.67 3hf9 h ILE 163 Cb 0.83 2.56 -0.03 0.00 -0.74 0.00 0.00 36.82 39.43 3hf9 h ILE 163 CO -0.00 0.88 0.31 0.00 0.00 0.00 0.00 178.15 179.34 3hf9 h ALA 164 N 0.07 0.88 -0.02 1.87 0.00 -0.15 -1.64 119.26 120.28 3hf9 h ALA 164 Ca -0.41 -0.15 -0.00 0.00 0.00 0.00 0.00 54.91 54.35 3hf9 h ALA 164 Cb 2.03 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 19.55 3hf9 h ALA 164 CO 0.10 0.46 -0.00 -0.91 0.00 0.00 0.00 179.25 178.90 3hf9 h ASN 165 N 0.95 0.03 -0.91 0.00 2.35 -1.12 -0.08 115.58 116.81 3hf9 h ASN 165 Ca 0.23 -0.34 0.25 0.00 -0.55 0.00 0.00 56.30 55.89 3hf9 h ASN 165 Cb 0.14 -0.01 -0.14 0.00 0.05 0.00 0.00 38.32 38.37 3hf9 h ASN 165 CO -0.03 0.37 0.37 0.00 -1.65 0.00 0.00 177.43 176.49 3hf9 h ALA 166 N 0.67 1.49 -0.02 -0.83 0.00 -1.36 -1.88 119.26 117.32 3hf9 h ALA 166 Ca 0.00 0.19 -0.06 0.00 0.00 0.00 0.00 54.91 55.05 3hf9 h ALA 166 Cb 0.35 0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.35 3hf9 h ALA 166 CO 0.00 -0.43 -0.21 -0.07 0.00 0.00 0.00 179.25 178.54 3hf9 h LEU 167 N 0.32 0.22 -0.98 0.00 3.38 -1.16 -2.43 115.31 114.67 3hf9 h LEU 167 Ca 0.59 -0.71 0.31 0.00 0.09 0.00 0.00 57.88 58.16 3hf9 h LEU 167 Cb 1.20 -0.07 -0.18 0.00 0.09 0.00 0.00 40.66 41.71 3hf9 h LEU 167 CO -0.59 0.90 0.16 0.29 0.09 0.00 0.00 178.44 179.29 3hf9 n LYS 168 N -4.54 -0.07 0.02 1.13 5.02 -0.05 -0.14 118.16 119.52 3hf9 n LYS 168 Ca -0.09 1.44 -0.18 0.00 -2.02 0.00 0.00 58.31 57.45 3hf9 n LYS 168 Cb 0.46 -2.36 -0.14 0.00 -0.02 0.00 0.00 35.03 32.97 3hf9 n LYS 168 CO 0.00 0.00 0.00 1.05 -0.52 0.00 0.00 177.40 177.93 3hf9 h GLU 169 N 0.00 0.22 -0.36 1.97 4.11 -1.58 -3.36 114.58 115.58 3hf9 h GLU 169 Ca 0.66 -0.38 0.00 0.00 0.07 0.00 0.00 59.36 59.71 3hf9 h GLU 169 Cb 1.49 0.14 0.00 0.00 0.50 0.00 0.00 28.75 30.88 3hf9 h GLU 169 CO -0.88 1.06 0.00 -1.13 0.07 0.00 0.00 179.01 178.13 3hf9 n SER 170 N -3.40 2.16 -4.56 3.06 3.41 -0.37 -4.89 113.62 109.03 3hf9 n SER 170 Ca -0.25 -1.94 -0.42 0.00 -0.26 0.00 0.00 58.87 56.00 3hf9 n SER 170 Cb 1.05 -0.24 -0.07 0.00 -0.26 0.00 0.00 64.21 64.69 3hf9 n SER 170 CO 0.00 0.00 0.00 -0.47 -0.16 0.00 0.00 175.04 174.41 3hf9 s TYR 171 N -1.52 3.16 -0.21 7.33 5.04 0.80 -4.99 117.35 126.96 3hf9 s TYR 171 Ca 0.29 0.23 -0.03 0.00 -2.44 0.00 0.00 57.07 55.12 3hf9 s TYR 171 Cb 0.15 -3.04 -0.01 0.00 0.35 0.00 0.00 41.96 39.42 3hf9 s TYR 171 CO 0.21 -0.60 -0.06 0.00 -1.34 0.00 0.00 175.55 173.76 3hf9 s ALA 172 N 2.54 2.78 0.51 3.97 0.00 -1.26 -5.02 121.76 125.28 3hf9 s ALA 172 Ca 0.21 -1.16 -0.20 0.00 0.00 0.00 0.00 51.96 50.82 3hf9 s ALA 172 Cb -0.15 -1.65 -0.07 0.00 0.00 0.00 0.00 23.12 21.25 3hf9 s ALA 172 CO 0.14 -0.39 1.07 -1.83 0.00 0.00 0.00 175.76 174.76 3hf9 s GLU 173 N 1.41 3.60 -0.07 0.00 -1.05 -1.26 -3.14 118.70 118.19 3hf9 s GLU 173 Ca 0.05 1.44 0.00 0.00 -0.15 0.00 0.00 54.97 56.31 3hf9 s GLU 173 Cb -0.14 -2.06 0.00 0.00 -0.44 0.00 0.00 34.13 31.49 3hf9 s GLU 173 CO -0.04 -0.61 0.00 0.09 0.95 0.00 0.00 175.26 175.65 3hf9 n ASN 174 N -1.16 -3.24 -4.75 0.83 3.02 -1.26 -4.88 115.26 103.81 3hf9 n ASN 174 Ca 0.10 0.02 -0.36 0.00 -0.03 0.00 0.00 54.58 54.30 3hf9 n ASN 174 Cb 0.52 -0.80 0.03 0.00 -0.61 0.00 0.00 39.78 38.92 3hf9 n ASN 174 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3hf9 s ALA 175 N -1.97 2.61 0.76 5.41 0.00 -1.19 -4.10 121.76 123.29 3hf9 s ALA 175 Ca 0.00 1.05 -0.11 0.00 0.00 0.00 0.00 51.96 52.90 3hf9 s ALA 175 Cb 0.00 -3.46 0.05 0.00 0.00 0.00 0.00 23.12 19.70 3hf9 s ALA 175 CO 0.00 -1.15 1.08 -1.54 0.00 0.00 0.00 175.76 174.15 3hf9 s SER 176 N -1.48 4.73 0.16 0.00 1.04 -1.26 -3.15 113.70 113.74 3hf9 s SER 176 Ca 0.76 1.68 -0.14 0.00 0.48 0.00 0.00 55.95 58.72 3hf9 s SER 176 Cb -0.32 -2.44 0.05 0.00 0.10 0.00 0.00 66.02 63.41 3hf9 s SER 176 CO 0.35 -1.87 1.79 0.25 0.98 0.00 0.00 173.24 174.74 3hf9 h LEU 177 N -1.01 0.61 -0.54 2.42 5.85 -1.97 -0.53 115.31 120.13 3hf9 h LEU 177 Ca -0.44 -0.07 -0.03 0.00 0.84 0.00 0.00 57.88 58.17 3hf9 h LEU 177 Cb 1.23 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 42.08 3hf9 h LEU 177 CO 0.54 0.50 0.21 0.00 -0.34 0.00 0.00 178.44 179.35 3hf9 h THR 178 N 0.66 1.22 -0.67 1.05 1.03 -1.94 -0.19 112.91 114.08 3hf9 h THR 178 Ca 0.18 -0.70 -0.04 0.00 -0.01 0.00 0.00 66.41 65.84 3hf9 h THR 178 Cb 0.01 0.67 -0.03 0.00 -1.07 0.00 0.00 68.15 67.73 3hf9 h THR 178 CO -0.03 0.27 0.27 0.44 -0.01 0.00 0.00 175.52 176.45 3hf9 h ASP 179 N 0.73 0.93 -0.67 0.00 5.19 -1.91 -0.87 116.42 119.81 3hf9 h ASP 179 Ca 0.18 -0.17 -0.02 0.00 -0.62 0.00 0.00 57.03 56.39 3hf9 h ASP 179 Cb 0.21 -0.24 -0.03 0.00 0.18 0.00 0.00 39.33 39.45 3hf9 h ASP 179 CO -0.01 0.84 0.33 0.00 -3.12 0.00 0.00 179.24 177.28 3hf9 h ALA 180 N 1.12 0.87 -0.56 3.45 0.00 -0.66 -0.36 119.26 123.13 3hf9 h ALA 180 Ca 0.22 -0.14 -0.02 0.00 0.00 0.00 0.00 54.91 54.97 3hf9 h ALA 180 Cb 0.21 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 17.71 3hf9 h ALA 180 CO -0.02 0.43 0.25 1.25 0.00 0.00 0.00 179.25 181.16 3hf9 h LEU 181 N 0.93 0.74 -0.67 0.00 5.85 -0.57 -0.12 115.31 121.48 3hf9 h LEU 181 Ca 0.23 -0.14 -0.03 0.00 0.84 0.00 0.00 57.88 58.78 3hf9 h LEU 181 Cb 0.11 -0.19 -0.03 0.00 0.37 0.00 0.00 40.66 40.92 3hf9 h LEU 181 CO -0.03 0.68 0.29 0.03 -0.34 0.00 0.00 178.44 179.07 3hf9 h ARG 182 N 0.75 0.99 -0.79 1.25 3.08 -0.71 -0.77 114.38 118.19 3hf9 h ARG 182 Ca 0.19 -0.17 -0.04 0.00 0.07 0.00 0.00 59.98 60.03 3hf9 h ARG 182 Cb 0.14 -0.17 -0.03 0.00 0.08 0.00 0.00 29.97 29.99 3hf9 h ARG 182 CO -0.02 0.81 0.33 0.82 -1.07 0.00 0.00 179.97 180.84 3hf9 h ILE 183 N 0.94 1.26 -0.60 2.04 2.04 -0.65 -0.62 117.51 121.92 3hf9 h ILE 183 Ca 0.23 -0.80 -0.04 0.00 1.00 0.00 0.00 64.86 65.25 3hf9 h ILE 183 Cb 0.17 0.31 -0.03 0.00 -0.74 0.00 0.00 36.82 36.54 3hf9 h ILE 183 CO -0.02 0.33 0.23 0.00 0.00 0.00 0.00 178.15 178.69 3hf9 h ALA 184 N 1.17 0.78 -0.81 1.87 0.00 -0.56 -0.42 119.26 121.29 3hf9 h ALA 184 Ca 0.26 -0.17 -0.04 0.00 0.00 0.00 0.00 54.91 54.96 3hf9 h ALA 184 Cb 0.20 -0.23 -0.04 0.00 0.00 0.00 0.00 17.79 17.72 3hf9 h ALA 184 CO -0.02 0.41 0.34 0.28 0.00 0.00 0.00 179.25 180.25 3hf9 h VAL 185 N 0.84 1.26 -0.63 0.00 2.07 -0.67 -0.25 116.25 118.86 3hf9 h VAL 185 Ca 0.20 -0.81 -0.02 0.00 0.82 0.00 0.00 66.70 66.89 3hf9 h VAL 185 Cb 0.22 0.28 -0.03 0.00 -1.52 0.00 0.00 31.29 30.24 3hf9 h VAL 185 CO -0.01 0.33 0.30 0.00 0.02 0.00 0.00 177.57 178.21 3hf9 h ALA 186 N 1.18 0.82 -0.73 1.67 0.00 -0.61 -0.84 119.26 120.74 3hf9 h ALA 186 Ca 0.27 -0.14 -0.06 0.00 0.00 0.00 0.00 54.91 54.98 3hf9 h ALA 186 Cb 0.20 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.71 3hf9 h ALA 186 CO -0.02 0.38 0.21 0.00 0.00 0.00 0.00 179.25 179.81 3hf9 h ALA 187 N 1.13 0.97 0.00 0.00 0.00 -0.63 -2.46 119.26 118.27 3hf9 h ALA 187 Ca 0.22 -0.24 -0.03 0.00 0.00 0.00 0.00 54.91 54.85 3hf9 h ALA 187 Cb 0.12 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 17.62 3hf9 h ALA 187 CO -0.03 0.67 -0.16 -0.07 0.00 0.00 0.00 179.25 179.67 3hf9 h LEU 188 N 1.10 0.00 -0.66 0.00 3.38 -0.54 -3.06 115.31 115.53 3hf9 h LEU 188 Ca 0.23 0.00 0.02 0.00 0.09 0.00 0.00 57.88 58.22 3hf9 h LEU 188 Cb 0.34 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.06 3hf9 h LEU 188 CO -0.00 0.16 0.43 0.03 0.09 0.00 0.00 178.44 179.14 3hf9 h ARG 189 N 0.00 0.84 0.00 1.13 3.08 -0.66 -3.51 114.38 115.26 3hf9 h ARG 189 Ca -0.00 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 60.00 3hf9 h ARG 189 Cb 0.35 -0.19 0.00 0.00 0.08 0.00 0.00 29.97 30.21 3hf9 h ARG 189 CO 0.02 0.55 0.00 0.00 -1.07 0.00 0.00 179.97 179.47 3hf9 n ALA 190 N -2.29 0.88 0.00 0.04 0.00 -1.16 -5.14 120.51 112.85 3hf9 n ALA 190 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.50 3hf9 n ALA 190 Cb 0.04 -0.59 0.00 0.00 0.00 0.00 0.00 19.45 18.91 3hf9 n ALA 190 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 3hf9 n VAL 205 N -0.30 0.00 0.04 0.00 0.24 -1.26 -4.68 118.33 112.36 3hf9 n VAL 205 Ca 0.00 0.00 0.04 0.00 -2.04 0.00 0.00 64.34 62.34 3hf9 n VAL 205 Cb 0.00 0.00 0.08 0.00 -1.47 0.00 0.00 33.84 32.45 3hf9 n VAL 205 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3hf9 n ALA 206 N -0.41 2.25 -0.81 2.33 0.00 -1.26 -4.39 120.51 118.22 3hf9 n ALA 206 Ca 0.00 -0.91 0.08 0.00 0.00 0.00 0.00 53.44 52.61 3hf9 n ALA 206 Cb 0.00 -0.29 0.38 0.00 0.00 0.00 0.00 19.45 19.53 3hf9 n ALA 206 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 3hf9 n SER 207 N 0.30 5.26 -4.29 0.00 7.64 -1.26 -4.86 113.62 116.41 3hf9 n SER 207 Ca 0.07 -2.77 -0.28 0.00 1.01 0.00 0.00 58.87 56.90 3hf9 n SER 207 Cb 0.31 -0.64 -0.15 0.00 -1.01 0.00 0.00 64.21 62.73 3hf9 n SER 207 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 3hf9 s LEU 208 N -2.44 2.13 -0.22 -3.43 1.43 -1.25 -0.59 118.68 114.30 3hf9 s LEU 208 Ca 0.52 -0.51 -0.03 0.00 -1.03 0.00 0.00 54.13 53.08 3hf9 s LEU 208 Cb 0.38 -1.15 0.00 0.00 0.03 0.00 0.00 46.19 45.45 3hf9 s LEU 208 CO 0.18 0.24 -0.06 -0.70 0.23 0.00 0.00 176.35 176.24 3hf9 s GLU 209 N -1.00 3.22 0.04 1.70 2.12 -0.42 -4.83 118.70 119.53 3hf9 s GLU 209 Ca 0.09 -0.72 0.06 0.00 0.36 0.00 0.00 54.97 54.76 3hf9 s GLU 209 Cb -0.09 -2.97 -0.02 0.00 0.26 0.00 0.00 34.13 31.31 3hf9 s GLU 209 CO 0.01 -0.24 -0.17 0.08 -0.54 0.00 0.00 175.26 174.39 3hf9 s VAL 210 N 1.43 1.39 -0.03 3.70 1.01 -1.26 -1.73 120.40 124.91 3hf9 s VAL 210 Ca 0.05 -1.05 -0.29 0.00 0.00 0.00 0.00 61.98 60.68 3hf9 s VAL 210 Cb -0.15 -1.22 0.10 0.00 0.00 0.00 0.00 36.38 35.11 3hf9 s VAL 210 CO -0.05 0.14 0.82 0.00 0.00 0.00 0.00 175.10 176.02 3hf9 s ALA 211 N -0.77 -1.80 0.24 5.51 0.00 -0.80 -2.14 121.76 121.99 3hf9 s ALA 211 Ca 0.05 1.15 0.06 0.00 0.00 0.00 0.00 51.96 53.21 3hf9 s ALA 211 Cb -0.08 0.10 -0.05 0.00 0.00 0.00 0.00 23.12 23.09 3hf9 s ALA 211 CO 0.01 -0.53 -0.07 0.14 0.00 0.00 0.00 175.76 175.31 3hf9 s VAL 212 N -2.27 1.46 -0.77 0.00 -7.23 0.13 -0.61 120.40 111.11 3hf9 s VAL 212 Ca -0.01 -2.11 -0.02 0.00 -1.81 0.00 0.00 61.98 58.03 3hf9 s VAL 212 Cb -0.01 -2.26 0.19 0.00 0.56 0.00 0.00 36.38 34.86 3hf9 s VAL 212 CO -0.03 -0.42 0.62 -0.22 -0.31 0.00 0.00 175.10 174.74 3hf9 s LEU 213 N -3.35 5.40 -0.46 1.32 2.96 0.17 -1.78 118.68 122.94 3hf9 s LEU 213 Ca 0.26 -3.35 -0.28 0.00 -0.22 0.00 0.00 54.13 50.54 3hf9 s LEU 213 Cb 0.03 -1.88 0.00 0.00 0.50 0.00 0.00 46.19 44.85 3hf9 s LEU 213 CO 0.09 -0.26 1.53 -0.62 -1.32 0.00 0.00 176.35 175.76 3hf9 s ASP 214 N 0.17 6.09 0.00 3.68 2.15 -0.76 -2.63 116.67 125.38 3hf9 s ASP 214 Ca 0.23 0.72 0.18 0.00 0.43 0.00 0.00 52.55 54.11 3hf9 s ASP 214 Cb -0.13 -2.54 1.07 0.00 -0.30 0.00 0.00 42.92 41.02 3hf9 s ASP 214 CO -0.09 -1.65 1.50 0.00 -0.17 0.00 0.00 175.17 174.76 3hf9 n ALA 215 N 9.67 2.29 1.03 3.66 0.00 -1.24 -2.39 120.51 133.53 3hf9 n ALA 215 Ca 0.17 -0.11 0.11 0.00 0.00 0.00 0.00 53.44 53.61 3hf9 n ALA 215 Cb 0.48 -1.29 0.04 0.00 0.00 0.00 0.00 19.45 18.68 3hf9 n ALA 215 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 3hf9 n ASN 216 N -0.91 1.96 -4.78 0.00 5.15 -1.26 -4.60 115.26 110.81 3hf9 n ASN 216 Ca 0.13 -1.47 -0.36 0.00 -0.60 0.00 0.00 54.58 52.29 3hf9 n ASN 216 Cb 0.06 0.43 -0.03 0.00 -0.53 0.00 0.00 39.78 39.71 3hf9 n ASN 216 CO 0.00 0.00 0.00 -0.13 1.40 0.00 0.00 177.26 178.53 3hf9 s ARG 217 N -2.47 3.99 0.12 1.20 1.81 -1.01 -4.98 118.95 117.62 3hf9 s ARG 217 Ca 0.19 1.55 -0.17 0.00 -1.72 0.00 0.00 55.73 55.59 3hf9 s ARG 217 Cb 0.18 -2.43 -0.03 0.00 -0.45 0.00 0.00 34.95 32.22 3hf9 s ARG 217 CO 0.56 -0.30 1.62 -1.00 -0.68 0.00 0.00 175.30 175.50 3hf9 h PRO 218 N 2.22 0.56 0.00 3.54 0.13 -1.92 -3.42 132.00 133.11 3hf9 h PRO 218 Ca -0.49 -0.13 0.00 0.00 -0.87 0.00 0.00 66.00 64.51 3hf9 h PRO 218 Cb 1.22 -0.08 0.00 0.00 0.13 0.00 0.00 31.00 32.28 3hf9 h PRO 218 CO 0.61 0.60 0.00 -2.13 -0.23 0.00 0.00 178.00 176.85 3hf9 n ARG 219 N -4.62 0.00 -2.70 0.86 0.63 -1.26 -4.62 116.66 104.94 3hf9 n ARG 219 Ca -0.01 0.00 -0.42 0.00 -0.92 0.00 0.00 57.85 56.50 3hf9 n ARG 219 Cb 0.19 -0.06 -0.03 0.00 0.45 0.00 0.00 32.46 33.00 3hf9 n ARG 219 CO 0.00 0.00 0.00 1.03 -2.51 0.00 0.00 177.63 176.15 3hf9 s ARG 220 N -1.42 3.15 0.30 -0.14 0.52 -1.26 -4.50 118.95 115.61 3hf9 s ARG 220 Ca 0.00 -0.53 0.01 0.00 -0.52 0.00 0.00 55.73 54.70 3hf9 s ARG 220 Cb 0.00 -4.20 0.48 0.00 0.52 0.00 0.00 34.95 31.75 3hf9 s ARG 220 CO 0.00 -1.98 1.84 0.00 0.02 0.00 0.00 175.30 175.18 3hf9 h ALA 221 N 9.79 1.27 -2.82 2.13 0.00 -1.43 -3.45 119.26 124.75 3hf9 h ALA 221 Ca -0.28 -0.21 -0.53 0.00 0.00 0.00 0.00 54.91 53.89 3hf9 h ALA 221 Cb 1.06 -0.18 0.08 0.00 0.00 0.00 0.00 17.79 18.75 3hf9 h ALA 221 CO 1.23 0.50 0.85 0.12 0.00 0.00 0.00 179.25 181.95 3hf9 s PHE 222 N -5.08 2.75 -0.21 0.00 5.36 -1.26 -1.82 117.98 117.72 3hf9 s PHE 222 Ca -0.09 0.88 -0.08 0.00 -0.96 0.00 0.00 56.93 56.68 3hf9 s PHE 222 Cb 0.15 -4.03 0.09 0.00 -0.34 0.00 0.00 43.02 38.90 3hf9 s PHE 222 CO 0.79 -3.37 0.46 0.50 -1.46 0.00 0.00 175.22 172.13 3hf9 s ARG 223 N -0.78 0.38 0.51 10.12 3.52 -0.73 -4.94 118.95 127.03 3hf9 s ARG 223 Ca 0.61 1.08 -0.10 0.00 -0.13 0.00 0.00 55.73 57.18 3hf9 s ARG 223 Cb -0.47 0.37 -0.05 0.00 -1.56 0.00 0.00 34.95 33.24 3hf9 s ARG 223 CO 0.50 -0.23 0.90 1.03 -0.81 0.00 0.00 175.30 176.69 3hf9 s ARG 224 N 2.50 3.69 -0.28 5.12 0.52 -1.26 -0.69 118.95 128.56 3hf9 s ARG 224 Ca -0.03 0.59 -0.06 0.00 -0.52 0.00 0.00 55.73 55.70 3hf9 s ARG 224 Cb -0.11 -2.24 0.00 0.00 0.52 0.00 0.00 34.95 33.12 3hf9 s ARG 224 CO -0.14 -0.30 0.06 0.42 0.02 0.00 0.00 175.30 175.36 3hf9 s ILE 225 N -2.77 3.91 0.22 1.52 -1.09 -0.91 -4.91 121.20 117.16 3hf9 s ILE 225 Ca 0.53 -0.60 -0.07 0.00 -2.23 0.00 0.00 60.65 58.28 3hf9 s ILE 225 Cb -0.10 -2.96 0.18 0.00 -1.58 0.00 0.00 42.46 38.00 3hf9 s ILE 225 CO 0.42 0.17 1.82 0.74 -1.23 0.00 0.00 174.94 176.85 3hf9 h THR 226 N 5.81 1.26 0.00 2.92 2.02 -1.96 -3.41 112.91 119.54 3hf9 h THR 226 Ca -0.34 -0.73 0.00 0.00 0.77 0.00 0.00 66.41 66.11 3hf9 h THR 226 Cb 1.14 0.17 0.00 0.00 -1.74 0.00 0.00 68.15 67.72 3hf9 h THR 226 CO 0.60 0.32 0.00 0.61 0.37 0.00 0.00 175.52 177.41 3hf9 n GLY 227 N -1.00 3.55 0.28 2.16 0.00 -1.26 -4.95 105.19 103.96 3hf9 n GLY 227 Ca 0.08 -0.50 -0.06 0.00 0.00 0.00 0.00 46.02 45.54 3hf9 n GLY 227 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 3hf9 h SER 228 N 1.71 0.85 -0.70 1.61 0.02 -1.98 -0.21 113.55 114.85 3hf9 h SER 228 Ca 0.00 -0.08 -0.04 0.00 -0.84 0.00 0.00 61.79 60.83 3hf9 h SER 228 Cb 0.00 -0.21 -0.03 0.00 0.14 0.00 0.00 62.40 62.29 3hf9 h SER 228 CO 0.00 0.68 0.30 0.00 -1.14 0.00 0.00 176.83 176.67 3hf9 h ALA 229 N 1.20 1.17 -0.51 3.77 0.00 -1.95 0.66 119.26 123.60 3hf9 h ALA 229 Ca 0.24 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 3hf9 h ALA 229 Cb 0.01 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.49 3hf9 h ALA 229 CO -0.04 0.61 0.28 -0.07 0.00 0.00 0.00 179.25 180.03 3hf9 h LEU 230 N 1.04 0.63 -0.72 0.00 3.38 -1.55 2.80 115.31 120.87 3hf9 h LEU 230 Ca 0.24 -0.08 -0.05 0.00 0.09 0.00 0.00 57.88 58.08 3hf9 h LEU 230 Cb 0.18 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 40.74 3hf9 h LEU 230 CO -0.02 0.53 0.26 1.56 0.09 0.00 0.00 178.44 180.86 3hf9 h GLN 231 N 0.67 1.10 0.00 1.13 4.20 -0.67 0.28 115.11 121.82 3hf9 h GLN 231 Ca 0.18 -0.22 0.00 0.00 0.06 0.00 0.00 58.65 58.67 3hf9 h GLN 231 Cb 0.04 -0.17 0.00 0.00 0.30 0.00 0.00 27.48 27.65 3hf9 h GLN 231 CO -0.03 0.92 0.00 0.00 -0.67 0.00 0.00 178.83 179.05 3hf9 h ALA 232 N 1.13 1.00 -0.00 3.87 0.00 0.10 -3.52 119.26 121.84 3hf9 h ALA 232 Ca 0.24 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.15 3hf9 h ALA 232 Cb 0.25 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.04 3hf9 h ALA 232 CO -0.01 0.00 0.00 -0.11 0.00 0.00 0.00 179.25 179.13