#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3h6f n GLU 10 N 0.00 2.45 0.01 -0.52 2.13 -1.26 -4.53 120.64 118.91 3h6f n GLU 10 Ca 0.00 -0.01 -0.14 0.00 0.66 0.00 0.00 57.16 57.66 3h6f n GLU 10 Cb 0.00 -0.88 -0.03 0.00 0.27 0.00 0.00 31.44 30.79 3h6f n GLU 10 CO 0.00 0.00 0.00 0.37 -0.41 0.00 0.00 177.13 177.09 3h6f h GLN 11 N 0.00 0.64 -0.61 5.31 5.75 -2.05 -2.98 115.11 121.17 3h6f h GLN 11 Ca 0.00 -0.53 -0.07 0.00 -0.15 0.00 0.00 58.65 57.90 3h6f h GLN 11 Cb 0.09 0.11 -0.02 0.00 1.07 0.00 0.00 27.48 28.72 3h6f h GLN 11 CO 0.00 1.15 0.10 0.00 -2.65 0.00 0.00 178.83 177.43 3h6f h ALA 12 N 0.70 0.81 -0.45 3.38 0.00 -2.00 -1.78 119.26 119.92 3h6f h ALA 12 Ca -0.05 -0.26 -0.04 0.00 0.00 0.00 0.00 54.91 54.57 3h6f h ALA 12 Cb 1.38 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.91 3h6f h ALA 12 CO 0.15 0.57 0.12 0.52 0.00 0.00 0.00 179.25 180.60 3h6f h MET 13 N 0.92 0.67 0.19 0.00 2.86 -1.81 -1.83 114.93 115.92 3h6f h MET 13 Ca 0.19 -0.12 -0.30 0.00 -2.06 0.00 0.00 59.70 57.41 3h6f h MET 13 Cb 0.43 -0.11 0.03 0.00 0.06 0.00 0.00 31.60 32.01 3h6f h MET 13 CO 0.01 0.60 -1.27 -0.09 1.06 0.00 0.00 176.91 177.22 3h6f h ARG 14 N 0.65 0.53 -0.07 1.72 2.43 -1.36 -2.85 114.38 115.44 3h6f h ARG 14 Ca 0.15 -0.82 -0.11 0.00 -0.81 0.00 0.00 59.98 58.39 3h6f h ARG 14 Cb 0.23 0.29 -0.01 0.00 -0.42 0.00 0.00 29.97 30.06 3h6f h ARG 14 CO -0.00 1.38 -0.47 0.93 -1.51 0.00 0.00 179.97 180.30 3h6f h GLU 15 N 0.10 0.17 -0.12 0.20 5.08 -1.24 -1.03 114.58 117.74 3h6f h GLU 15 Ca -0.21 -0.09 -0.16 0.00 -1.00 0.00 0.00 59.36 57.90 3h6f h GLU 15 Cb 1.98 0.00 0.01 0.00 0.50 0.00 0.00 28.75 31.24 3h6f h GLU 15 CO 0.24 0.60 -0.56 0.00 -1.00 0.00 0.00 179.01 178.29 3h6f h ARG 16 N 0.14 0.59 -0.18 2.33 3.08 -1.45 -2.00 114.38 116.89 3h6f h ARG 16 Ca 0.01 -0.48 -0.05 0.00 0.07 0.00 0.00 59.98 59.53 3h6f h ARG 16 Cb 0.88 0.10 -0.01 0.00 0.08 0.00 0.00 29.97 31.01 3h6f h ARG 16 CO 0.07 1.10 -0.13 1.03 -1.07 0.00 0.00 179.97 180.96 3h6f h SER 17 N 0.22 0.27 0.03 7.04 0.87 -1.37 -2.24 113.55 118.37 3h6f h SER 17 Ca -0.04 -0.06 -0.26 0.00 -1.23 0.00 0.00 61.79 60.20 3h6f h SER 17 Cb 1.20 -0.07 0.02 0.00 -0.44 0.00 0.00 62.40 63.11 3h6f h SER 17 CO 0.12 0.44 -1.05 -0.08 -0.53 0.00 0.00 176.83 175.73 3h6f h GLU 18 N 0.27 0.65 -0.88 2.24 4.57 -1.15 -2.10 114.58 118.18 3h6f h GLU 18 Ca 0.05 -0.75 0.00 0.00 -1.18 0.00 0.00 59.36 57.49 3h6f h GLU 18 Cb 0.41 0.22 -0.04 0.00 -0.16 0.00 0.00 28.75 29.18 3h6f h GLU 18 CO 0.02 1.32 0.56 1.25 -1.18 0.00 0.00 179.01 180.98 3h6f h LEU 19 N 0.31 1.03 -0.04 1.64 6.46 -1.14 -1.53 115.31 122.04 3h6f h LEU 19 Ca -0.14 -0.05 -0.15 0.00 -0.12 0.00 0.00 57.88 57.42 3h6f h LEU 19 Cb 1.71 -0.26 0.01 0.00 -0.73 0.00 0.00 40.66 41.39 3h6f h LEU 19 CO 0.20 0.77 -0.56 0.00 -0.62 0.00 0.00 178.44 178.24 3h6f h ALA 20 N 1.31 0.12 -0.39 1.25 0.00 -1.46 -2.95 119.26 117.14 3h6f h ALA 20 Ca 0.32 -0.54 -0.04 0.00 0.00 0.00 0.00 54.91 54.65 3h6f h ALA 20 Cb -0.09 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 3h6f h ALA 20 CO -0.06 0.36 0.07 -0.09 0.00 0.00 0.00 179.25 179.53 3h6f h ARG 21 N -0.03 0.58 -0.07 0.00 2.43 -1.24 -2.16 114.38 113.90 3h6f h ARG 21 Ca -0.06 -0.10 -0.16 0.00 -0.81 0.00 0.00 59.98 58.84 3h6f h ARG 21 Cb 1.24 -0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 30.69 3h6f h ARG 21 CO 0.11 0.55 -0.67 0.87 -1.51 0.00 0.00 179.97 179.32 3h6f h LYS 22 N 0.56 0.29 -0.08 0.20 1.57 -1.35 -1.65 116.57 116.12 3h6f h LYS 22 Ca 0.13 -0.22 -0.15 0.00 -1.87 0.00 0.00 60.65 58.54 3h6f h LYS 22 Cb 0.25 0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.59 3h6f h LYS 22 CO -0.00 0.86 -0.60 0.78 -0.57 0.00 0.00 179.45 179.92 3h6f h GLY 23 N 1.46 0.30 1.44 3.86 0.00 -1.26 -2.46 103.07 106.40 3h6f h GLY 23 Ca -0.02 -0.37 -0.24 0.00 0.00 0.00 0.00 47.33 46.71 3h6f h GLY 23 CO 0.11 0.33 -0.97 -2.22 0.00 0.00 0.00 176.54 173.79 3h6f h ILE 24 N 0.20 1.36 0.00 2.60 2.04 -1.34 -3.18 117.51 119.19 3h6f h ILE 24 Ca -0.01 -2.38 -0.05 0.00 1.00 0.00 0.00 64.86 63.43 3h6f h ILE 24 Cb 1.11 2.40 -0.01 0.00 -0.74 0.00 0.00 36.82 39.58 3h6f h ILE 24 CO 0.09 0.72 -0.24 0.00 0.00 0.00 0.00 178.15 178.72 3h6f h ALA 25 N 0.64 1.27 0.00 1.87 0.00 -1.19 -1.48 119.26 120.37 3h6f h ALA 25 Ca -0.09 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.60 3h6f h ALA 25 Cb 1.61 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.36 3h6f h ALA 25 CO 0.18 0.30 -0.36 0.54 0.00 0.00 0.00 179.25 179.91 3h6f n ARG 26 N -3.78 0.19 -2.99 0.00 1.74 -0.94 -3.97 116.66 106.92 3h6f n ARG 26 Ca -0.01 0.09 -0.23 0.00 -0.77 0.00 0.00 57.85 56.92 3h6f n ARG 26 Cb 0.34 -1.66 0.01 0.00 -1.02 0.00 0.00 32.46 30.13 3h6f n ARG 26 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3h6f s ALA 27 N -3.10 3.71 0.76 7.54 0.00 -1.04 -4.95 121.76 124.69 3h6f s ALA 27 Ca 0.09 -1.00 -0.12 0.00 0.00 0.00 0.00 51.96 50.93 3h6f s ALA 27 Cb 0.15 -2.18 0.06 0.00 0.00 0.00 0.00 23.12 21.14 3h6f s ALA 27 CO 0.66 -0.35 1.11 0.15 0.00 0.00 0.00 175.76 177.33 3h6f s LYS 28 N -4.56 2.20 0.25 0.00 1.02 -1.26 -1.98 119.74 115.41 3h6f s LYS 28 Ca 0.48 1.31 -0.10 0.00 0.02 0.00 0.00 55.97 57.68 3h6f s LYS 28 Cb -0.10 -1.88 -0.07 0.00 -0.52 0.00 0.00 37.83 35.26 3h6f s LYS 28 CO 0.38 -1.71 0.57 -1.12 -0.92 0.00 0.00 175.35 172.56 3h6f s SER 29 N -3.02 6.62 -0.02 2.83 0.01 -1.26 -4.24 113.70 114.61 3h6f s SER 29 Ca 0.64 0.93 0.01 0.00 1.31 0.00 0.00 55.95 58.85 3h6f s SER 29 Cb -0.19 -2.23 0.01 0.00 0.21 0.00 0.00 66.02 63.81 3h6f s SER 29 CO 0.52 -0.10 -0.05 -0.69 0.41 0.00 0.00 173.24 173.33 3h6f s VAL 30 N -1.87 0.46 0.01 3.43 1.01 -0.27 -1.92 120.40 121.25 3h6f s VAL 30 Ca 0.48 -0.18 0.07 0.00 0.00 0.00 0.00 61.98 62.34 3h6f s VAL 30 Cb -0.11 -0.43 -0.02 0.00 0.00 0.00 0.00 36.38 35.82 3h6f s VAL 30 CO 0.22 0.16 -0.20 0.68 0.00 0.00 0.00 175.10 175.96 3h6f s VAL 31 N 0.26 1.62 -0.10 2.92 -7.23 -0.08 -1.19 120.40 116.60 3h6f s VAL 31 Ca -0.03 -1.03 0.02 0.00 -1.81 0.00 0.00 61.98 59.13 3h6f s VAL 31 Cb -0.07 -1.38 0.01 0.00 0.56 0.00 0.00 36.38 35.50 3h6f s VAL 31 CO -0.00 0.33 -0.16 0.00 -0.31 0.00 0.00 175.10 174.96 3h6f s ALA 32 N -0.64 1.68 -0.03 1.32 0.00 -0.47 -1.33 121.76 122.30 3h6f s ALA 32 Ca 0.08 -0.71 0.02 0.00 0.00 0.00 0.00 51.96 51.35 3h6f s ALA 32 Cb -0.08 -0.80 0.00 0.00 0.00 0.00 0.00 23.12 22.24 3h6f s ALA 32 CO 0.00 -0.03 -0.09 -0.48 0.00 0.00 0.00 175.76 175.17 3h6f s LEU 33 N 0.90 1.78 0.34 0.00 0.05 0.65 -1.82 118.68 120.58 3h6f s LEU 33 Ca -0.08 -0.18 -0.29 0.00 0.05 0.00 0.00 54.13 53.63 3h6f s LEU 33 Cb -0.15 -0.53 -0.10 0.00 -2.05 0.00 0.00 46.19 43.35 3h6f s LEU 33 CO -0.00 0.06 1.36 0.00 -0.55 0.00 0.00 176.35 177.22 3h6f s ALA 34 N 0.20 3.52 0.23 1.48 0.00 -0.89 -0.82 121.76 125.48 3h6f s ALA 34 Ca -0.03 1.35 -0.08 0.00 0.00 0.00 0.00 51.96 53.20 3h6f s ALA 34 Cb -0.08 -3.52 -0.02 0.00 0.00 0.00 0.00 23.12 19.50 3h6f s ALA 34 CO 0.00 -0.76 0.34 1.52 0.00 0.00 0.00 175.76 176.86 3h6f s TYR 35 N -1.09 0.70 0.21 0.00 -0.85 0.96 -4.89 117.35 112.39 3h6f s TYR 35 Ca 0.50 -1.00 -0.10 0.00 -0.52 0.00 0.00 57.07 55.95 3h6f s TYR 35 Cb -0.42 -0.12 0.17 0.00 0.38 0.00 0.00 41.96 41.97 3h6f s TYR 35 CO 0.55 -0.85 1.87 0.00 -1.52 0.00 0.00 175.55 175.60 3h6f h ALA 36 N 2.40 0.93 -0.52 9.51 0.00 -1.57 -2.54 119.26 127.47 3h6f h ALA 36 Ca -0.30 -0.04 -0.07 0.00 0.00 0.00 0.00 54.91 54.50 3h6f h ALA 36 Cb 1.25 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.75 3h6f h ALA 36 CO 0.43 0.30 0.03 0.78 0.00 0.00 0.00 179.25 180.78 3h6f h GLY 37 N 0.95 0.92 0.00 0.00 0.00 -1.89 -3.49 103.07 99.56 3h6f h GLY 37 Ca 0.28 -0.61 0.00 0.00 0.00 0.00 0.00 47.33 46.99 3h6f h GLY 37 CO -0.08 0.57 0.00 0.61 0.00 0.00 0.00 176.54 177.64 3h6f n GLY 38 N -0.64 -0.53 3.45 4.60 0.00 -0.96 -2.50 105.19 108.61 3h6f n GLY 38 Ca 0.03 -0.02 -0.32 0.00 0.00 0.00 0.00 46.02 45.71 3h6f n GLY 38 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3h6f s VAL 39 N 0.00 2.88 -0.09 1.61 1.01 -0.86 -0.03 120.40 124.91 3h6f s VAL 39 Ca 0.00 -0.82 0.01 0.00 0.00 0.00 0.00 61.98 61.17 3h6f s VAL 39 Cb 0.00 -2.11 -0.02 0.00 0.00 0.00 0.00 36.38 34.24 3h6f s VAL 39 CO 0.00 0.57 -0.12 -0.22 0.00 0.00 0.00 175.10 175.33 3h6f s LEU 40 N -0.76 2.82 -0.17 3.92 2.96 0.00 -1.25 118.68 126.21 3h6f s LEU 40 Ca 0.11 -0.22 -0.00 0.00 -0.22 0.00 0.00 54.13 53.80 3h6f s LEU 40 Cb -0.10 -1.61 0.00 0.00 0.50 0.00 0.00 46.19 44.98 3h6f s LEU 40 CO 0.01 0.26 -0.15 -0.36 -1.32 0.00 0.00 176.35 174.79 3h6f s PHE 41 N -0.22 2.80 -0.07 5.38 0.08 0.41 -0.25 117.98 126.10 3h6f s PHE 41 Ca 0.01 -1.14 0.00 0.00 0.12 0.00 0.00 56.93 55.93 3h6f s PHE 41 Cb -0.13 -1.92 0.02 0.00 -0.57 0.00 0.00 43.02 40.42 3h6f s PHE 41 CO 0.03 -0.54 -0.06 0.08 -0.10 0.00 0.00 175.22 174.62 3h6f s VAL 42 N 0.97 0.78 0.04 -0.44 1.01 -0.44 -1.83 120.40 120.49 3h6f s VAL 42 Ca -0.02 -0.20 0.04 0.00 0.00 0.00 0.00 61.98 61.79 3h6f s VAL 42 Cb -0.15 -0.81 -0.02 0.00 0.00 0.00 0.00 36.38 35.41 3h6f s VAL 42 CO -0.03 0.30 -0.11 0.00 0.00 0.00 0.00 175.10 175.26 3h6f s ALA 43 N 1.30 0.90 -0.61 5.51 0.00 -0.36 -0.91 121.76 127.60 3h6f s ALA 43 Ca -0.04 -0.76 -0.24 0.00 0.00 0.00 0.00 51.96 50.92 3h6f s ALA 43 Cb -0.14 -0.09 0.05 0.00 0.00 0.00 0.00 23.12 22.94 3h6f s ALA 43 CO -0.03 0.13 1.01 -2.00 0.00 0.00 0.00 175.76 174.87 3h6f s GLU 44 N -1.23 3.26 -0.21 0.00 2.12 -0.81 -1.45 118.70 120.38 3h6f s GLU 44 Ca -0.02 -0.40 -0.04 0.00 0.36 0.00 0.00 54.97 54.87 3h6f s GLU 44 Cb -0.08 -4.12 0.09 0.00 0.26 0.00 0.00 34.13 30.28 3h6f s GLU 44 CO 0.01 -1.68 0.20 1.21 -0.54 0.00 0.00 175.26 174.46 3h6f s ASN 45 N 3.22 1.71 0.39 -1.70 2.47 -0.76 -4.66 114.94 115.60 3h6f s ASN 45 Ca 0.29 -0.42 0.20 0.00 0.42 0.00 0.00 52.86 53.36 3h6f s ASN 45 Cb -0.13 0.25 0.68 0.00 -1.45 0.00 0.00 41.25 40.60 3h6f s ASN 45 CO 0.16 -0.35 1.73 1.55 -3.72 0.00 0.00 177.10 176.48 3h6f h PRO 46 N 8.33 0.00 -6.90 0.43 0.13 -1.81 -3.26 132.00 128.92 3h6f h PRO 46 Ca -0.17 0.00 -0.51 0.00 -0.87 0.00 0.00 66.00 64.46 3h6f h PRO 46 Cb 1.13 0.00 0.04 0.00 0.13 0.00 0.00 31.00 32.31 3h6f h PRO 46 CO 0.30 0.33 0.51 0.45 -0.23 0.00 0.00 178.00 179.36 3h6f s SER 47 N -6.34 6.76 -0.00 1.44 0.15 -1.26 -4.79 113.70 109.66 3h6f s SER 47 Ca 0.01 2.36 0.21 0.00 0.70 0.00 0.00 55.95 59.23 3h6f s SER 47 Cb 0.10 -2.62 -0.21 0.00 -1.71 0.00 0.00 66.02 61.58 3h6f s SER 47 CO 0.67 -0.51 0.87 -1.14 1.20 0.00 0.00 173.24 174.34 3h6f n ARG 48 N 0.46 0.09 -0.08 5.44 0.63 -1.26 -4.61 116.66 117.33 3h6f n ARG 48 Ca 0.02 -0.03 -0.15 0.00 -0.92 0.00 0.00 57.85 56.78 3h6f n ARG 48 Cb 0.45 -1.50 -0.07 0.00 0.45 0.00 0.00 32.46 31.79 3h6f n ARG 48 CO 0.00 0.00 0.00 0.43 -2.51 0.00 0.00 177.63 175.55 3h6f n SER 49 N -1.61 1.98 -4.56 6.15 7.64 -1.26 -4.93 113.62 117.04 3h6f n SER 49 Ca 0.03 0.06 -0.42 0.00 1.01 0.00 0.00 58.87 59.55 3h6f n SER 49 Cb 0.36 -0.38 -0.03 0.00 -1.01 0.00 0.00 64.21 63.15 3h6f n SER 49 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 3h6f s LEU 50 N -6.44 3.46 0.12 -3.43 1.43 -1.26 -5.02 118.68 107.53 3h6f s LEU 50 Ca -0.23 -0.21 -0.27 0.00 -1.03 0.00 0.00 54.13 52.38 3h6f s LEU 50 Cb 0.07 -2.86 -0.07 0.00 0.03 0.00 0.00 46.19 43.37 3h6f s LEU 50 CO 0.34 -1.59 0.85 -1.10 0.23 0.00 0.00 176.35 175.07 3h6f s GLN 51 N 5.11 4.62 -0.01 1.70 -1.52 -1.26 -4.85 119.66 123.45 3h6f s GLN 51 Ca 0.37 1.25 0.13 0.00 -1.95 0.00 0.00 55.36 55.17 3h6f s GLN 51 Cb -0.09 -3.33 -0.19 0.00 -0.22 0.00 0.00 33.01 29.18 3h6f s GLN 51 CO 0.20 0.37 0.37 1.63 -0.25 0.00 0.00 175.29 177.60 3h6f n LYS 52 N 2.32 1.03 -5.20 2.91 5.02 -1.26 -4.96 118.16 118.02 3h6f n LYS 52 Ca -0.02 -0.09 -0.31 0.00 -2.02 0.00 0.00 58.31 55.87 3h6f n LYS 52 Cb 0.49 -1.27 -0.16 0.00 -0.02 0.00 0.00 35.03 34.08 3h6f n LYS 52 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 3h6f s ILE 53 N -2.75 2.11 0.19 -0.18 1.01 -1.26 -1.37 121.20 118.96 3h6f s ILE 53 Ca -0.02 -1.16 -0.22 0.00 0.00 0.00 0.00 60.65 59.24 3h6f s ILE 53 Cb 0.09 -1.75 0.06 0.00 0.01 0.00 0.00 42.46 40.86 3h6f s ILE 53 CO 0.55 0.53 0.63 -0.55 0.00 0.00 0.00 174.94 176.11 3h6f s SER 54 N -0.76 -0.48 0.14 3.58 0.15 -0.00 -4.99 113.70 111.33 3h6f s SER 54 Ca 0.10 -0.18 -0.28 0.00 0.70 0.00 0.00 55.95 56.30 3h6f s SER 54 Cb -0.10 0.64 -0.07 0.00 -1.71 0.00 0.00 66.02 64.78 3h6f s SER 54 CO -0.00 -1.08 0.88 -0.70 1.20 0.00 0.00 173.24 173.54 3h6f s GLU 55 N -3.80 4.67 -0.17 5.44 2.12 -1.26 -0.18 118.70 125.53 3h6f s GLU 55 Ca 0.04 1.32 -0.09 0.00 0.36 0.00 0.00 54.97 56.60 3h6f s GLU 55 Cb -0.02 -3.33 -0.07 0.00 0.26 0.00 0.00 34.13 30.97 3h6f s GLU 55 CO -0.07 0.38 -0.23 1.28 -0.54 0.00 0.00 175.26 176.07 3h6f n LEU 56 N 2.21 1.33 0.00 2.70 4.77 -0.64 -4.84 117.00 122.53 3h6f n LEU 56 Ca -0.01 0.23 -0.06 0.00 -0.03 0.00 0.00 56.01 56.14 3h6f n LEU 56 Cb 0.49 -0.54 -0.01 0.00 -2.33 0.00 0.00 43.42 41.03 3h6f n LEU 56 CO 0.49 0.28 0.11 0.00 -1.33 0.00 0.00 177.39 176.94 3h6f n TYR 57 N -3.85 -1.07 -0.31 -1.77 9.36 -1.06 -4.73 117.16 113.73 3h6f n TYR 57 Ca -0.33 -0.95 -0.08 0.00 3.32 0.00 0.00 57.90 59.86 3h6f n TYR 57 Cb 0.70 0.28 -0.07 0.00 -0.63 0.00 0.00 39.34 39.62 3h6f n TYR 57 CO 0.00 0.00 0.00 -0.25 0.22 0.00 0.00 176.86 176.83 3h6f n ASP 58 N -1.73 -0.78 -0.51 2.98 8.00 -1.26 -2.49 116.55 120.77 3h6f n ASP 58 Ca -0.01 1.47 0.05 0.00 0.71 0.00 0.00 54.79 57.01 3h6f n ASP 58 Cb 0.25 -0.25 0.13 0.00 -0.02 0.00 0.00 41.12 41.23 3h6f n ASP 58 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 3h6f n ARG 59 N -4.71 2.85 -4.68 -1.24 5.12 -1.26 -1.14 116.66 111.60 3h6f n ARG 59 Ca 0.01 -2.04 -0.33 0.00 -1.93 0.00 0.00 57.85 53.56 3h6f n ARG 59 Cb 0.19 -1.29 -0.13 0.00 -1.16 0.00 0.00 32.46 30.07 3h6f n ARG 59 CO 0.00 0.00 0.00 0.08 -1.93 0.00 0.00 177.63 175.78 3h6f s VAL 60 N -1.29 3.35 0.30 1.55 1.01 -1.04 -1.99 120.40 122.29 3h6f s VAL 60 Ca 0.21 -0.57 0.10 0.00 0.00 0.00 0.00 61.98 61.72 3h6f s VAL 60 Cb 0.13 -2.40 -0.05 0.00 0.00 0.00 0.00 36.38 34.05 3h6f s VAL 60 CO 0.11 0.54 -0.09 -0.83 0.00 0.00 0.00 175.10 174.83 3h6f s GLY 61 N 0.00 1.92 0.04 4.51 0.00 0.52 -1.61 107.32 112.69 3h6f s GLY 61 Ca -0.02 -1.87 0.05 0.00 0.00 0.00 0.00 44.72 42.87 3h6f s GLY 61 CO 0.04 -1.91 -0.14 -0.12 0.00 0.00 0.00 173.10 170.97 3h6f s PHE 62 N -2.48 1.26 -0.16 1.90 5.36 0.75 -1.76 117.98 122.85 3h6f s PHE 62 Ca 0.32 -0.35 -0.14 0.00 -0.96 0.00 0.00 56.93 55.80 3h6f s PHE 62 Cb -0.03 -0.75 0.04 0.00 -0.34 0.00 0.00 43.02 41.94 3h6f s PHE 62 CO 0.17 0.04 0.41 0.00 -1.46 0.00 0.00 175.22 174.38 3h6f s ALA 63 N -0.82 -1.01 0.07 11.12 0.00 -0.45 -0.82 121.76 129.83 3h6f s ALA 63 Ca 0.02 1.20 -0.09 0.00 0.00 0.00 0.00 51.96 53.09 3h6f s ALA 63 Cb -0.08 -0.70 0.00 0.00 0.00 0.00 0.00 23.12 22.34 3h6f s ALA 63 CO 0.01 -0.20 0.19 0.00 0.00 0.00 0.00 175.76 175.76 3h6f s ALA 64 N 0.37 -0.29 0.00 0.00 0.00 -0.47 -0.09 121.76 121.28 3h6f s ALA 64 Ca -0.01 -0.48 0.02 0.00 0.00 0.00 0.00 51.96 51.49 3h6f s ALA 64 Cb -0.04 0.40 -0.01 0.00 0.00 0.00 0.00 23.12 23.48 3h6f s ALA 64 CO -0.01 -0.45 -0.06 0.00 0.00 0.00 0.00 175.76 175.24 3h6f s ALA 65 N -3.34 0.48 0.00 0.00 0.00 -0.53 -4.84 121.76 113.53 3h6f s ALA 65 Ca 0.01 -0.30 0.00 0.00 0.00 0.00 0.00 51.96 51.67 3h6f s ALA 65 Cb 0.03 -0.10 0.00 0.00 0.00 0.00 0.00 23.12 23.05 3h6f s ALA 65 CO -0.08 0.10 0.00 0.41 0.00 0.00 0.00 175.76 176.19 3h6f n GLY 66 N 2.76 0.56 3.67 0.00 0.00 -1.26 -1.13 105.19 109.79 3h6f n GLY 66 Ca -0.14 -1.73 -0.43 0.00 0.00 0.00 0.00 46.02 43.72 3h6f n GLY 66 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3h6f s LYS 67 N -1.34 4.27 0.13 1.61 2.20 -0.56 -4.91 119.74 121.14 3h6f s LYS 67 Ca 0.00 1.60 -0.29 0.00 -0.36 0.00 0.00 55.97 56.92 3h6f s LYS 67 Cb 0.00 -3.68 -0.06 0.00 -1.51 0.00 0.00 37.83 32.58 3h6f s LYS 67 CO 0.00 -0.61 1.59 0.35 -0.36 0.00 0.00 175.35 176.32 3h6f h PHE 68 N 7.85 -1.09 -0.98 4.03 3.57 -1.96 -2.47 116.94 125.88 3h6f h PHE 68 Ca -0.27 0.04 0.23 0.00 3.53 0.00 0.00 57.97 61.50 3h6f h PHE 68 Cb 1.11 0.49 -0.09 0.00 2.79 0.00 0.00 35.95 40.25 3h6f h PHE 68 CO 0.77 -0.46 0.63 -2.95 -2.23 0.00 0.00 178.31 174.07 3h6f h ASN 69 N -0.51 0.50 0.01 0.41 7.08 -1.99 -0.25 115.58 120.82 3h6f h ASN 69 Ca 0.06 0.07 -0.15 0.00 -3.08 0.00 0.00 56.30 53.20 3h6f h ASN 69 Cb 0.62 -0.02 0.01 0.00 -2.08 0.00 0.00 38.32 36.85 3h6f h ASN 69 CO -0.33 0.15 -0.59 -0.33 -2.08 0.00 0.00 177.43 174.25 3h6f h GLU 70 N 0.47 0.39 0.00 4.14 5.08 -1.90 -3.07 114.58 119.69 3h6f h GLU 70 Ca 0.55 -0.43 -0.02 0.00 -1.00 0.00 0.00 59.36 58.46 3h6f h GLU 70 Cb 1.27 0.12 -0.00 0.00 0.50 0.00 0.00 28.75 30.64 3h6f h GLU 70 CO -0.27 1.10 -0.09 0.27 -1.00 0.00 0.00 179.01 179.03 3h6f h PHE 71 N -0.15 0.00 -0.08 4.33 -5.15 -0.96 -2.89 116.94 112.04 3h6f h PHE 71 Ca -0.08 0.00 -0.19 0.00 -0.20 0.00 0.00 57.97 57.51 3h6f h PHE 71 Cb 1.31 0.00 -0.00 0.00 0.22 0.00 0.00 35.95 37.48 3h6f h PHE 71 CO 0.15 0.08 -0.73 0.22 -2.00 0.00 0.00 178.31 176.03 3h6f h ASP 72 N 0.00 0.52 -0.71 -0.68 3.58 -1.16 -0.78 116.42 117.19 3h6f h ASP 72 Ca -0.00 -0.34 -0.02 0.00 0.42 0.00 0.00 57.03 57.09 3h6f h ASP 72 Cb 1.06 -0.15 -0.03 0.00 1.72 0.00 0.00 39.33 41.93 3h6f h ASP 72 CO 0.01 1.08 0.35 -1.13 -2.88 0.00 0.00 179.24 176.67 3h6f h ASN 73 N 0.30 0.91 0.44 2.28 -1.24 -1.47 -1.48 115.58 115.31 3h6f h ASN 73 Ca -0.03 -0.12 -0.12 0.00 0.71 0.00 0.00 56.30 56.74 3h6f h ASN 73 Cb 1.31 -0.23 -0.01 0.00 0.73 0.00 0.00 38.32 40.11 3h6f h ASN 73 CO 0.13 0.78 -0.52 -0.07 -1.29 0.00 0.00 177.43 176.46 3h6f h LEU 74 N 0.98 0.10 -0.35 0.34 3.38 -1.31 -1.98 115.31 116.47 3h6f h LEU 74 Ca 0.24 -0.05 -0.08 0.00 0.09 0.00 0.00 57.88 58.09 3h6f h LEU 74 Cb 0.10 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 40.81 3h6f h LEU 74 CO -0.03 0.61 -0.08 -0.09 0.09 0.00 0.00 178.44 178.93 3h6f h ARG 75 N 0.08 0.67 -0.29 1.13 2.43 -0.71 -1.64 114.38 116.05 3h6f h ARG 75 Ca -0.00 -0.26 -0.04 0.00 -0.81 0.00 0.00 59.98 58.88 3h6f h ARG 75 Cb 0.95 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 30.45 3h6f h ARG 75 CO 0.07 0.84 0.04 0.00 -1.51 0.00 0.00 179.97 179.41 3h6f h ARG 76 N 0.46 0.49 0.00 0.20 3.08 -1.17 -1.73 114.38 115.71 3h6f h ARG 76 Ca 0.09 -0.13 -0.05 0.00 0.07 0.00 0.00 59.98 59.96 3h6f h ARG 76 Cb 0.59 -0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.57 3h6f h ARG 76 CO 0.03 0.59 -0.24 0.78 -1.07 0.00 0.00 179.97 180.07 3h6f h GLY 77 N 0.30 0.00 1.38 0.04 0.00 -1.34 -0.83 103.07 102.62 3h6f h GLY 77 Ca 0.09 0.00 -0.23 0.00 0.00 0.00 0.00 47.33 47.19 3h6f h GLY 77 CO 0.01 0.00 -0.91 -1.33 0.00 0.00 0.00 176.54 174.30 3h6f h GLY 78 N 0.80 0.63 1.13 4.60 0.00 -0.98 -1.84 103.07 107.42 3h6f h GLY 78 Ca -0.00 -1.03 -0.14 0.00 0.00 0.00 0.00 47.33 46.16 3h6f h GLY 78 CO 0.03 0.92 -0.25 -2.22 0.00 0.00 0.00 176.54 175.02 3h6f h ILE 79 N 0.34 1.27 -0.36 2.60 2.04 -0.79 -0.70 117.51 121.92 3h6f h ILE 79 Ca -0.08 -1.41 -0.00 0.00 1.00 0.00 0.00 64.86 64.36 3h6f h ILE 79 Cb 1.55 1.17 -0.02 0.00 -0.74 0.00 0.00 36.82 38.77 3h6f h ILE 79 CO 0.17 0.49 0.21 -0.61 0.00 0.00 0.00 178.15 178.41 3h6f h GLN 80 N 0.84 0.49 0.20 2.37 5.75 -1.14 -1.27 115.11 122.35 3h6f h GLN 80 Ca 0.10 -0.05 -0.01 0.00 -0.15 0.00 0.00 58.65 58.54 3h6f h GLN 80 Cb 0.83 -0.10 0.00 0.00 1.07 0.00 0.00 27.48 29.28 3h6f h GLN 80 CO 0.07 0.39 -0.09 0.35 -2.65 0.00 0.00 178.83 176.89 3h6f h PHE 81 N 0.46 -0.24 -0.94 3.99 3.57 -1.20 -2.40 116.94 120.18 3h6f h PHE 81 Ca 0.13 -0.01 0.08 0.00 3.53 0.00 0.00 57.97 61.70 3h6f h PHE 81 Cb 0.03 0.08 -0.07 0.00 2.79 0.00 0.00 35.95 38.78 3h6f h PHE 81 CO -0.03 0.02 0.59 0.00 -2.23 0.00 0.00 178.31 176.66 3h6f h ALA 82 N 0.25 1.33 -0.10 2.41 0.00 -1.02 -1.18 119.26 120.95 3h6f h ALA 82 Ca -0.03 -0.00 -0.16 0.00 0.00 0.00 0.00 54.91 54.72 3h6f h ALA 82 Cb 0.38 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 3h6f h ALA 82 CO 0.04 0.32 -0.63 -0.44 0.00 0.00 0.00 179.25 178.54 3h6f h ASP 83 N 1.04 0.41 -0.29 0.00 3.32 -1.19 -1.76 116.42 117.96 3h6f h ASP 83 Ca 0.42 -0.24 -0.08 0.00 0.02 0.00 0.00 57.03 57.15 3h6f h ASP 83 Cb 0.25 -0.12 -0.01 0.00 0.22 0.00 0.00 39.33 39.68 3h6f h ASP 83 CO -0.20 0.93 -0.13 0.74 -1.72 0.00 0.00 179.24 178.87 3h6f h THR 84 N 0.26 1.29 -0.34 0.35 2.02 -1.13 -2.36 112.91 113.01 3h6f h THR 84 Ca -0.01 -1.21 -0.05 0.00 0.77 0.00 0.00 66.41 65.90 3h6f h THR 84 Cb 1.16 1.47 -0.01 0.00 -1.74 0.00 0.00 68.15 69.03 3h6f h THR 84 CO 0.11 0.39 0.00 0.03 0.37 0.00 0.00 175.52 176.41 3h6f h ARG 85 N 0.35 0.60 -0.04 6.66 2.47 -1.18 -0.30 114.38 122.94 3h6f h ARG 85 Ca 0.07 -0.19 -0.06 0.00 -1.26 0.00 0.00 59.98 58.54 3h6f h ARG 85 Cb 0.64 -0.05 -0.01 0.00 -1.65 0.00 0.00 29.97 28.90 3h6f h ARG 85 CO 0.04 0.72 -0.25 0.78 0.56 0.00 0.00 179.97 181.82 3h6f h GLY 86 N 0.41 0.07 0.97 0.04 0.00 -1.34 -0.25 103.07 102.98 3h6f h GLY 86 Ca 0.10 -0.05 -0.26 0.00 0.00 0.00 0.00 47.33 47.12 3h6f h GLY 86 CO 0.02 0.05 -1.11 -1.82 0.00 0.00 0.00 176.54 173.68 3h6f h TYR 87 N 0.06 0.78 0.00 5.60 3.20 -1.18 -3.19 116.97 122.24 3h6f h TYR 87 Ca 0.01 -0.55 -0.07 0.00 3.14 0.00 0.00 58.73 61.26 3h6f h TYR 87 Cb 0.48 -0.04 -0.01 0.00 1.54 0.00 0.00 36.73 38.70 3h6f h TYR 87 CO 0.00 1.42 -0.32 0.00 -1.64 0.00 0.00 178.16 177.62 3h6f h ALA 88 N 0.15 0.93 -3.00 1.82 0.00 -0.89 -3.44 119.26 114.83 3h6f h ALA 88 Ca -0.19 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.43 3h6f h ALA 88 Cb 1.86 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.60 3h6f h ALA 88 CO 0.21 0.40 0.00 0.66 0.00 0.00 0.00 179.25 180.52 3h6f n TYR 89 N -3.38 0.00 -4.08 0.00 4.01 -0.12 -5.08 117.16 108.52 3h6f n TYR 89 Ca 0.01 0.00 -0.10 0.00 -0.16 0.00 0.00 57.90 57.65 3h6f n TYR 89 Cb 0.53 0.00 -0.09 0.00 -0.31 0.00 0.00 39.34 39.47 3h6f n TYR 89 CO 0.00 0.00 0.00 0.16 -0.46 0.00 0.00 176.86 176.56 3h6f s ASP 90 N 1.00 0.16 0.40 7.72 1.47 -1.21 -4.97 116.67 121.24 3h6f s ASP 90 Ca 0.00 -1.10 0.14 0.00 1.18 0.00 0.00 52.55 52.78 3h6f s ASP 90 Cb 0.00 0.38 0.84 0.00 -0.34 0.00 0.00 42.92 43.80 3h6f s ASP 90 CO 0.00 -0.83 1.88 0.03 0.68 0.00 0.00 175.17 176.93 3h6f h ARG 91 N 2.67 0.00 0.00 2.11 3.08 -1.90 -2.56 114.38 117.78 3h6f h ARG 91 Ca -0.33 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.72 3h6f h ARG 91 Cb 1.22 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.27 3h6f h ARG 91 CO 0.53 0.31 0.00 -2.13 -1.07 0.00 0.00 179.97 177.60 3h6f n ARG 92 N -4.11 0.00 0.09 0.04 0.63 -1.26 -2.97 116.66 109.09 3h6f n ARG 92 Ca -0.02 0.18 -0.03 0.00 -0.92 0.00 0.00 57.85 57.07 3h6f n ARG 92 Cb 0.36 -1.50 0.20 0.00 0.45 0.00 0.00 32.46 31.96 3h6f n ARG 92 CO 0.00 0.00 0.00 0.22 -2.51 0.00 0.00 177.63 175.34 3h6f h ASP 93 N 0.00 0.25 -3.64 6.15 3.58 -1.82 -3.40 116.42 117.53 3h6f h ASP 93 Ca 0.00 -0.11 -0.56 0.00 0.42 0.00 0.00 57.03 56.78 3h6f h ASP 93 Cb 0.32 -0.07 -0.07 0.00 1.72 0.00 0.00 39.33 41.23 3h6f h ASP 93 CO 0.00 0.68 0.94 -0.69 -2.88 0.00 0.00 179.24 177.29 3h6f s VAL 94 N -4.05 4.16 0.38 2.25 1.01 -1.16 -4.92 120.40 118.07 3h6f s VAL 94 Ca -0.04 1.17 0.06 0.00 0.00 0.00 0.00 61.98 63.17 3h6f s VAL 94 Cb 0.13 -4.60 -0.07 0.00 0.00 0.00 0.00 36.38 31.84 3h6f s VAL 94 CO 0.78 -1.04 0.01 0.42 0.00 0.00 0.00 175.10 175.27 3h6f s THR 95 N 4.58 1.80 0.17 3.92 -4.23 -1.26 -4.94 115.64 115.68 3h6f s THR 95 Ca 0.48 -2.02 -0.09 0.00 -1.18 0.00 0.00 61.69 58.88 3h6f s THR 95 Cb -0.07 -2.90 0.04 0.00 1.34 0.00 0.00 72.50 70.91 3h6f s THR 95 CO 0.31 -0.03 1.60 1.23 -0.54 0.00 0.00 174.62 177.19 3h6f h GLY 96 N 1.90 1.12 0.97 3.99 0.00 -1.94 -2.51 103.07 106.61 3h6f h GLY 96 Ca -0.43 -0.91 0.01 0.00 0.00 0.00 0.00 47.33 46.01 3h6f h GLY 96 CO 0.77 0.83 0.55 -0.09 0.00 0.00 0.00 176.54 178.60 3h6f h ARG 97 N 0.92 1.09 -0.19 4.80 2.43 -1.96 -0.55 114.38 120.91 3h6f h ARG 97 Ca 0.14 -0.07 -0.02 0.00 -0.81 0.00 0.00 59.98 59.22 3h6f h ARG 97 Cb 0.68 -0.24 -0.01 0.00 -0.42 0.00 0.00 29.97 29.98 3h6f h ARG 97 CO 0.05 0.72 0.02 0.37 -1.51 0.00 0.00 179.97 179.62 3h6f h GLN 98 N 1.12 0.31 -0.26 0.20 4.15 -1.87 -1.54 115.11 117.21 3h6f h GLN 98 Ca 0.32 -0.09 -0.12 0.00 0.77 0.00 0.00 58.65 59.53 3h6f h GLN 98 Cb -0.10 -0.03 -0.01 0.00 0.21 0.00 0.00 27.48 27.55 3h6f h GLN 98 CO -0.08 0.49 -0.32 -0.07 -1.93 0.00 0.00 178.83 176.92 3h6f h LEU 99 N 0.09 0.57 -0.59 -2.39 3.38 -1.18 -2.23 115.31 112.96 3h6f h LEU 99 Ca 0.06 -0.22 -0.08 0.00 0.09 0.00 0.00 57.88 57.72 3h6f h LEU 99 Cb 0.33 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.90 3h6f h LEU 99 CO 0.01 0.86 0.06 0.00 0.09 0.00 0.00 178.44 179.45 3h6f h ALA 100 N 1.18 0.79 -0.71 1.53 0.00 -1.04 -1.03 119.26 119.98 3h6f h ALA 100 Ca 0.06 -0.28 -0.05 0.00 0.00 0.00 0.00 54.91 54.64 3h6f h ALA 100 Cb 0.79 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 18.33 3h6f h ALA 100 CO 0.06 0.57 0.24 -0.97 0.00 0.00 0.00 179.25 179.16 3h6f h ASN 101 N 0.90 1.01 -0.14 0.00 -0.73 -1.12 -0.67 115.58 114.83 3h6f h ASN 101 Ca 0.17 -0.20 -0.13 0.00 1.87 0.00 0.00 56.30 58.01 3h6f h ASN 101 Cb 0.47 -0.26 -0.01 0.00 0.27 0.00 0.00 38.32 38.79 3h6f h ASN 101 CO 0.02 0.93 -0.37 0.58 -0.37 0.00 0.00 177.43 178.22 3h6f h VAL 102 N 1.03 1.29 -0.21 2.57 2.07 -1.14 -1.42 116.25 120.44 3h6f h VAL 102 Ca 0.23 -1.53 -0.14 0.00 0.82 0.00 0.00 66.70 66.08 3h6f h VAL 102 Cb 0.27 1.47 -0.01 0.00 -1.52 0.00 0.00 31.29 31.50 3h6f h VAL 102 CO -0.01 0.49 -0.47 1.88 0.02 0.00 0.00 177.57 179.48 3h6f h TYR 103 N 0.55 0.64 -0.58 1.57 0.05 -0.82 -1.16 116.97 117.22 3h6f h TYR 103 Ca 0.05 -0.20 -0.10 0.00 0.05 0.00 0.00 58.73 58.53 3h6f h TYR 103 Cb 0.89 -0.13 -0.02 0.00 1.01 0.00 0.00 36.73 38.48 3h6f h TYR 103 CO 0.04 0.90 -0.02 0.00 -1.05 0.00 0.00 178.16 178.03 3h6f h ALA 104 N 1.07 0.86 -0.28 3.88 0.00 -0.93 0.32 119.26 124.17 3h6f h ALA 104 Ca 0.03 -0.32 -0.05 0.00 0.00 0.00 0.00 54.91 54.57 3h6f h ALA 104 Cb 0.98 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.54 3h6f h ALA 104 CO 0.09 0.66 -0.02 0.37 0.00 0.00 0.00 179.25 180.35 3h6f h GLN 105 N 0.94 0.52 0.03 0.00 5.75 -1.10 -1.72 115.11 119.53 3h6f h GLN 105 Ca 0.16 -0.18 -0.00 0.00 -0.15 0.00 0.00 58.65 58.49 3h6f h GLN 105 Cb 0.57 -0.04 0.00 0.00 1.07 0.00 0.00 27.48 29.08 3h6f h GLN 105 CO 0.03 0.69 -0.01 1.15 -2.65 0.00 0.00 178.83 178.04 3h6f h THR 106 N 0.29 1.23 -0.45 2.39 2.02 -0.95 -2.31 112.91 115.12 3h6f h THR 106 Ca 0.08 -0.81 -0.05 0.00 0.77 0.00 0.00 66.41 66.39 3h6f h THR 106 Cb 0.47 1.77 -0.02 0.00 -1.74 0.00 0.00 68.15 68.63 3h6f h THR 106 CO 0.02 0.21 0.06 -0.07 0.37 0.00 0.00 175.52 176.11 3h6f h LEU 107 N -0.40 0.66 -0.86 2.58 3.38 -0.99 -1.50 115.31 118.18 3h6f h LEU 107 Ca -0.00 -0.13 -0.08 0.00 0.09 0.00 0.00 57.88 57.76 3h6f h LEU 107 Cb 0.37 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.93 3h6f h LEU 107 CO 0.01 0.69 -0.03 1.23 0.09 0.00 0.00 178.44 180.42 3h6f h GLY 108 N 0.92 0.87 1.37 0.83 0.00 -1.28 -0.72 103.07 105.07 3h6f h GLY 108 Ca 0.15 -0.61 -0.18 0.00 0.00 0.00 0.00 47.33 46.69 3h6f h GLY 108 CO 0.01 0.56 -0.60 -0.84 0.00 0.00 0.00 176.54 175.67 3h6f h THR 109 N 0.75 1.31 -0.28 4.70 2.02 -1.04 -2.91 112.91 117.45 3h6f h THR 109 Ca 0.14 -1.85 -0.04 0.00 0.77 0.00 0.00 66.41 65.43 3h6f h THR 109 Cb 0.50 1.80 -0.01 0.00 -1.74 0.00 0.00 68.15 68.70 3h6f h THR 109 CO 0.03 0.58 0.00 0.40 0.37 0.00 0.00 175.52 176.90 3h6f h ILE 110 N 0.48 1.25 -0.08 3.11 2.04 -0.98 0.15 117.51 123.49 3h6f h ILE 110 Ca -0.00 -0.92 0.02 0.00 1.00 0.00 0.00 64.86 64.96 3h6f h ILE 110 Cb 1.18 1.30 -0.00 0.00 -0.74 0.00 0.00 36.82 38.55 3h6f h ILE 110 CO 0.12 0.29 0.06 0.15 0.00 0.00 0.00 178.15 178.78 3h6f h PHE 111 N 0.28 0.00 0.00 1.37 3.57 -1.13 -2.06 116.94 118.97 3h6f h PHE 111 Ca 0.08 0.00 -0.22 0.00 3.53 0.00 0.00 57.97 61.36 3h6f h PHE 111 Cb 0.42 0.00 -0.03 0.00 2.79 0.00 0.00 35.95 39.13 3h6f h PHE 111 CO 0.03 0.00 -1.47 2.41 -2.23 0.00 0.00 178.31 177.05 3h6f n THR 112 N -4.23 1.50 0.02 4.41 -1.04 -1.10 -4.76 114.28 109.09 3h6f n THR 112 Ca -0.01 -0.06 -0.03 0.00 -2.04 0.00 0.00 64.05 61.91 3h6f n THR 112 Cb 0.17 -2.12 -0.10 0.00 -1.82 0.00 0.00 70.33 66.46 3h6f n THR 112 CO 0.00 0.00 0.00 -0.33 -0.64 0.00 0.00 175.07 174.10 3h6f h GLU 113 N -1.00 0.00 -6.42 -2.82 3.07 -1.02 -3.48 114.58 102.91 3h6f h GLU 113 Ca -0.33 0.00 -0.54 0.00 -0.50 0.00 0.00 59.36 57.99 3h6f h GLU 113 Cb 1.19 0.00 -0.03 0.00 -0.84 0.00 0.00 28.75 29.07 3h6f h GLU 113 CO -0.20 0.37 -0.05 -0.65 -1.40 0.00 0.00 179.01 177.09 3h6f s GLN 114 N -2.82 3.97 0.41 2.33 -0.21 -0.78 -5.00 119.66 117.57 3h6f s GLN 114 Ca -0.03 0.50 0.15 0.00 0.02 0.00 0.00 55.36 56.00 3h6f s GLN 114 Cb 0.08 -2.81 1.02 0.00 1.00 0.00 0.00 33.01 32.30 3h6f s GLN 114 CO 0.81 0.40 1.90 0.00 -2.12 0.00 0.00 175.29 176.29 3h6f h ALA 115 N 3.17 2.08 -3.34 6.09 0.00 -1.92 -3.40 119.26 121.93 3h6f h ALA 115 Ca -0.48 0.00 -0.45 0.00 0.00 0.00 0.00 54.91 53.98 3h6f h ALA 115 Cb 1.19 -0.07 -0.36 0.00 0.00 0.00 0.00 17.79 18.55 3h6f h ALA 115 CO 0.66 -0.29 -0.78 0.21 0.00 0.00 0.00 179.25 179.05 3h6f s LYS 116 N -5.46 1.00 0.87 0.00 2.20 -1.26 -5.14 119.74 111.95 3h6f s LYS 116 Ca -0.08 -0.11 -0.11 0.00 -0.36 0.00 0.00 55.97 55.31 3h6f s LYS 116 Cb 0.21 -1.09 0.11 0.00 -1.51 0.00 0.00 37.83 35.56 3h6f s LYS 116 CO 0.77 -0.17 1.09 -1.25 -0.36 0.00 0.00 175.35 175.44 3h6f s PRO 117 N 1.34 1.45 -0.13 4.03 0.04 -1.26 -4.90 135.00 135.56 3h6f s PRO 117 Ca -0.04 1.00 -0.29 0.00 0.04 0.00 0.00 61.00 61.71 3h6f s PRO 117 Cb -0.14 -1.82 -0.01 0.00 0.04 0.00 0.00 34.50 32.58 3h6f s PRO 117 CO -0.03 -2.16 0.99 0.71 0.04 0.00 0.00 177.00 176.56 3h6f s TYR 118 N -2.88 3.47 -1.49 0.56 1.51 -1.26 -4.94 117.35 112.33 3h6f s TYR 118 Ca 0.63 1.53 -0.11 0.00 -1.01 0.00 0.00 57.07 58.12 3h6f s TYR 118 Cb -0.18 -3.18 0.01 0.00 -0.11 0.00 0.00 41.96 38.49 3h6f s TYR 118 CO 0.57 -0.27 2.52 0.39 -1.11 0.00 0.00 175.55 177.65 3h6f n GLU 119 N 5.26 3.55 -4.10 -0.62 1.02 -1.26 -4.70 120.64 119.79 3h6f n GLU 119 Ca 0.09 -2.67 -0.08 0.00 -0.02 0.00 0.00 57.16 54.48 3h6f n GLU 119 Cb 0.48 -2.95 -0.10 0.00 -0.02 0.00 0.00 31.44 28.85 3h6f n GLU 119 CO 0.00 0.00 0.00 0.14 1.18 0.00 0.00 177.13 178.45 3h6f s VAL 120 N 1.82 0.32 -0.03 2.62 -7.23 -1.26 -1.49 120.40 115.15 3h6f s VAL 120 Ca 0.57 -1.73 -0.01 0.00 -1.81 0.00 0.00 61.98 59.00 3h6f s VAL 120 Cb 0.16 -1.41 0.03 0.00 0.56 0.00 0.00 36.38 35.72 3h6f s VAL 120 CO -0.07 -0.91 0.04 -0.70 -0.31 0.00 0.00 175.10 173.16 3h6f s GLU 121 N -3.60 -0.00 0.16 4.82 2.12 -0.29 -3.31 118.70 118.60 3h6f s GLU 121 Ca 0.05 0.27 0.09 0.00 0.36 0.00 0.00 54.97 55.74 3h6f s GLU 121 Cb 0.05 -0.42 -0.04 0.00 0.26 0.00 0.00 34.13 33.98 3h6f s GLU 121 CO -0.08 -0.25 -0.12 -0.51 -0.54 0.00 0.00 175.26 173.76 3h6f s LEU 122 N 1.63 2.88 -0.08 2.70 1.43 -0.16 -1.45 118.68 125.64 3h6f s LEU 122 Ca -0.02 -0.58 0.00 0.00 -1.03 0.00 0.00 54.13 52.51 3h6f s LEU 122 Cb -0.13 -1.62 0.02 0.00 0.03 0.00 0.00 46.19 44.50 3h6f s LEU 122 CO -0.03 0.13 -0.06 0.00 0.23 0.00 0.00 176.35 176.61 3h6f s VAL 124 N 1.29 3.00 0.07 0.00 1.01 -0.75 -1.34 120.40 123.67 3h6f s VAL 124 Ca -0.04 -0.64 0.09 0.00 0.00 0.00 0.00 61.98 61.38 3h6f s VAL 124 Cb -0.14 -2.31 -0.03 0.00 0.00 0.00 0.00 36.38 33.91 3h6f s VAL 124 CO -0.03 0.49 -0.24 0.00 0.00 0.00 0.00 175.10 175.32 3h6f s ALA 125 N 0.97 2.02 -0.02 5.51 0.00 -0.72 -0.70 121.76 128.83 3h6f s ALA 125 Ca -0.01 -1.22 0.02 0.00 0.00 0.00 0.00 51.96 50.74 3h6f s ALA 125 Cb -0.15 -0.38 0.00 0.00 0.00 0.00 0.00 23.12 22.60 3h6f s ALA 125 CO -0.01 0.46 -0.05 -2.00 0.00 0.00 0.00 175.76 174.16 3h6f s GLU 126 N -1.45 0.55 0.46 0.00 2.12 -0.34 -0.36 118.70 119.68 3h6f s GLU 126 Ca 0.10 -0.16 0.06 0.00 0.36 0.00 0.00 54.97 55.33 3h6f s GLU 126 Cb -0.10 -0.55 -0.02 0.00 0.26 0.00 0.00 34.13 33.72 3h6f s GLU 126 CO 0.03 0.06 0.27 0.14 -0.54 0.00 0.00 175.26 175.22 3h6f s VAL 127 N 0.21 2.13 0.73 3.70 -7.23 -0.84 -1.74 120.40 117.37 3h6f s VAL 127 Ca -0.02 -1.58 -0.11 0.00 -1.81 0.00 0.00 61.98 58.45 3h6f s VAL 127 Cb -0.06 -2.71 0.03 0.00 0.56 0.00 0.00 36.38 34.20 3h6f s VAL 127 CO -0.00 0.00 1.08 0.00 -0.31 0.00 0.00 175.10 175.87 3h6f s ALA 128 N -2.64 2.42 0.71 1.32 0.00 -1.26 -4.88 121.76 117.43 3h6f s ALA 128 Ca 0.38 0.24 -0.11 0.00 0.00 0.00 0.00 51.96 52.47 3h6f s ALA 128 Cb 0.01 -3.25 0.02 0.00 0.00 0.00 0.00 23.12 19.90 3h6f s ALA 128 CO 0.22 -1.54 1.07 -1.01 0.00 0.00 0.00 175.76 174.50 3h6f s HIS 129 N -2.89 3.13 0.11 0.00 3.76 -1.26 -4.81 115.29 113.33 3h6f s HIS 129 Ca 0.61 1.31 -0.34 0.00 -0.15 0.00 0.00 55.06 56.49 3h6f s HIS 129 Cb -0.16 -2.93 -0.14 0.00 1.11 0.00 0.00 32.58 30.46 3h6f s HIS 129 CO 0.54 -1.28 1.63 0.98 -0.85 0.00 0.00 174.74 175.76 3h6f n TYR 130 N -3.14 2.25 -1.04 1.40 9.36 -1.26 -2.01 117.16 122.72 3h6f n TYR 130 Ca 0.07 0.23 -0.02 0.00 3.32 0.00 0.00 57.90 61.51 3h6f n TYR 130 Cb 0.54 -2.56 -0.01 0.00 -0.63 0.00 0.00 39.34 36.69 3h6f n TYR 130 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 3h6f n GLY 131 N 3.57 0.50 3.63 2.98 0.00 -1.26 -5.03 105.19 109.58 3h6f n GLY 131 Ca 0.18 -0.28 -0.27 0.00 0.00 0.00 0.00 46.02 45.65 3h6f n GLY 131 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3h6f s GLU 132 N -1.08 2.28 -0.34 1.61 2.02 -0.85 -5.11 118.70 117.24 3h6f s GLU 132 Ca 0.00 -1.13 -0.08 0.00 0.02 0.00 0.00 54.97 53.78 3h6f s GLU 132 Cb 0.00 -2.30 0.03 0.00 0.10 0.00 0.00 34.13 31.95 3h6f s GLU 132 CO 0.00 0.46 0.14 0.99 0.02 0.00 0.00 175.26 176.87 3h6f s THR 133 N -1.65 4.14 -0.25 3.63 2.01 -1.26 -4.75 115.64 117.50 3h6f s THR 133 Ca 0.26 -0.94 -0.18 0.00 0.31 0.00 0.00 61.69 61.14 3h6f s THR 133 Cb -0.09 -3.29 0.07 0.00 0.01 0.00 0.00 72.50 69.20 3h6f s THR 133 CO 0.17 -0.15 0.64 -0.75 -0.69 0.00 0.00 174.62 173.85 3h6f s LYS 134 N 1.48 0.70 0.11 4.92 2.20 -1.26 -5.10 119.74 122.79 3h6f s LYS 134 Ca 0.01 1.05 -0.31 0.00 -0.36 0.00 0.00 55.97 56.36 3h6f s LYS 134 Cb -0.19 0.22 -0.07 0.00 -1.51 0.00 0.00 37.83 36.28 3h6f s LYS 134 CO 0.04 -0.13 1.26 0.50 -0.36 0.00 0.00 175.35 176.66 3h6f s ARG 135 N 1.07 4.41 0.35 4.03 6.06 -1.26 -4.46 118.95 129.15 3h6f s ARG 135 Ca -0.06 1.89 -0.28 0.00 -2.50 0.00 0.00 55.73 54.79 3h6f s ARG 135 Cb -0.05 -3.29 -0.12 0.00 0.06 0.00 0.00 34.95 31.55 3h6f s ARG 135 CO -0.10 -0.27 1.26 -2.30 -2.50 0.00 0.00 175.30 171.39 3h6f n PRO 136 N 3.56 2.04 -4.58 5.12 -0.02 -1.26 -4.90 135.00 134.96 3h6f n PRO 136 Ca 0.08 0.72 -0.33 0.00 -2.02 0.00 0.00 63.50 61.95 3h6f n PRO 136 Cb 0.45 -2.30 -0.12 0.00 -0.02 0.00 0.00 33.50 31.50 3h6f n PRO 136 CO 0.00 0.00 0.00 -1.21 1.98 0.00 0.00 175.50 176.27 3h6f s GLU 137 N -1.91 3.29 -0.06 -0.52 2.02 -0.71 -4.98 118.70 115.82 3h6f s GLU 137 Ca 0.56 -0.58 0.03 0.00 0.02 0.00 0.00 54.97 55.01 3h6f s GLU 137 Cb -0.57 -2.73 0.01 0.00 0.10 0.00 0.00 34.13 30.94 3h6f s GLU 137 CO 0.61 0.37 -0.16 -0.51 0.02 0.00 0.00 175.26 175.60 3h6f s LEU 138 N -0.03 1.80 -0.03 1.80 1.02 -1.24 -1.20 118.68 120.81 3h6f s LEU 138 Ca -0.00 -0.36 0.06 0.00 0.02 0.00 0.00 54.13 53.85 3h6f s LEU 138 Cb -0.14 -0.97 -0.01 0.00 0.02 0.00 0.00 46.19 45.09 3h6f s LEU 138 CO 0.03 0.09 -0.22 -0.31 0.02 0.00 0.00 176.35 175.96 3h6f s TYR 139 N 0.42 2.07 -0.19 0.29 2.02 0.12 -1.96 117.35 120.12 3h6f s TYR 139 Ca -0.12 -0.47 -0.04 0.00 -0.37 0.00 0.00 57.07 56.06 3h6f s TYR 139 Cb -0.15 -1.35 -0.02 0.00 -0.40 0.00 0.00 41.96 40.05 3h6f s TYR 139 CO 0.04 -0.09 -0.04 0.50 -1.57 0.00 0.00 175.55 174.39 3h6f s ARG 140 N -0.36 3.50 -0.14 -0.62 3.52 -0.72 -1.81 118.95 122.32 3h6f s ARG 140 Ca 0.04 -0.58 0.02 0.00 -0.13 0.00 0.00 55.73 55.08 3h6f s ARG 140 Cb -0.10 -2.98 0.00 0.00 -1.56 0.00 0.00 34.95 30.31 3h6f s ARG 140 CO 0.01 -0.02 -0.20 0.42 -0.81 0.00 0.00 175.30 174.70 3h6f s ILE 141 N 1.03 2.32 0.40 4.11 1.09 -0.07 -1.51 121.20 128.57 3h6f s ILE 141 Ca 0.01 -0.90 0.08 0.00 -1.10 0.00 0.00 60.65 58.73 3h6f s ILE 141 Cb -0.15 -1.94 -0.01 0.00 -1.06 0.00 0.00 42.46 39.31 3h6f s ILE 141 CO 0.01 0.54 0.44 0.42 -0.10 0.00 0.00 174.94 176.24 3h6f s THR 142 N 0.69 3.01 0.58 2.92 -4.23 -0.43 -0.99 115.64 117.18 3h6f s THR 142 Ca -0.09 -1.20 0.32 0.00 -1.18 0.00 0.00 61.69 59.54 3h6f s THR 142 Cb -0.16 -3.06 0.46 0.00 1.34 0.00 0.00 72.50 71.08 3h6f s THR 142 CO 0.01 -0.04 1.68 0.10 -0.54 0.00 0.00 174.62 175.84 3h6f h TYR 143 N 0.91 0.00 -0.01 3.99 -0.00 -1.83 -0.23 116.97 119.81 3h6f h TYR 143 Ca -0.42 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.31 3h6f h TYR 143 Cb 1.27 0.00 0.00 0.00 0.00 0.00 0.00 36.73 38.00 3h6f h TYR 143 CO 0.47 0.00 -0.56 -0.40 -0.00 0.00 0.00 178.16 177.67 3h6f n ASP 144 N -3.72 1.41 0.00 0.10 3.85 -1.26 -4.57 116.55 112.36 3h6f n ASP 144 Ca 0.20 -1.13 0.00 0.00 -0.71 0.00 0.00 54.79 53.15 3h6f n ASP 144 Cb 1.18 0.50 0.00 0.00 -1.35 0.00 0.00 41.12 41.45 3h6f n ASP 144 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 3h6f n GLY 145 N 1.43 1.04 3.73 6.12 0.00 -0.10 -4.08 105.19 113.34 3h6f n GLY 145 Ca 0.08 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.69 3h6f n GLY 145 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3h6f s SER 146 N -2.00 7.45 -0.10 1.61 0.01 -1.25 -4.75 113.70 114.67 3h6f s SER 146 Ca 0.00 1.82 0.04 0.00 1.31 0.00 0.00 55.95 59.12 3h6f s SER 146 Cb 0.00 -2.59 0.00 0.00 0.21 0.00 0.00 66.02 63.64 3h6f s SER 146 CO 0.00 -0.11 -0.24 -0.51 0.41 0.00 0.00 173.24 172.79 3h6f s ILE 147 N 0.09 2.07 -0.06 1.44 2.07 -1.26 -1.32 121.20 124.23 3h6f s ILE 147 Ca 0.48 -1.01 0.02 0.00 -1.41 0.00 0.00 60.65 58.73 3h6f s ILE 147 Cb -0.24 -1.79 0.01 0.00 0.13 0.00 0.00 42.46 40.57 3h6f s ILE 147 CO 0.30 0.56 -0.12 0.00 -1.91 0.00 0.00 174.94 173.77 3h6f s ALA 148 N 0.35 1.26 -0.60 1.50 0.00 -0.57 -4.99 121.76 118.71 3h6f s ALA 148 Ca -0.19 -0.43 -0.22 0.00 0.00 0.00 0.00 51.96 51.12 3h6f s ALA 148 Cb -0.18 -0.55 0.06 0.00 0.00 0.00 0.00 23.12 22.46 3h6f s ALA 148 CO 0.09 0.13 0.90 0.34 0.00 0.00 0.00 175.76 177.22 3h6f s ASP 149 N 0.58 6.23 -0.18 0.00 -1.08 -1.26 -1.76 116.67 119.20 3h6f s ASP 149 Ca -0.13 -0.80 -0.17 0.00 -0.52 0.00 0.00 52.55 50.93 3h6f s ASP 149 Cb -0.15 -2.40 -0.04 0.00 -1.46 0.00 0.00 42.92 38.87 3h6f s ASP 149 CO 0.03 -1.28 0.46 -1.61 0.52 0.00 0.00 175.17 173.29 3h6f s GLU 150 N 3.77 4.21 0.20 4.34 0.41 -0.83 -5.00 118.70 125.80 3h6f s GLU 150 Ca 0.23 0.33 0.11 0.00 -0.41 0.00 0.00 54.97 55.23 3h6f s GLU 150 Cb -0.16 -3.52 -0.07 0.00 -1.78 0.00 0.00 34.13 28.60 3h6f s GLU 150 CO 0.13 -0.03 1.35 -1.35 -0.49 0.00 0.00 175.26 174.86 3h6f h PRO 151 N 7.26 0.00 0.00 0.39 0.11 -1.94 -3.29 132.00 134.53 3h6f h PRO 151 Ca -0.36 0.00 -0.12 0.00 0.11 0.00 0.00 66.00 65.63 3h6f h PRO 151 Cb 1.16 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.25 3h6f h PRO 151 CO 0.73 0.72 -1.40 0.72 -0.21 0.00 0.00 178.00 178.57 3h6f n HIS 152 N -3.27 0.00 -3.69 0.65 8.25 -1.26 -4.90 115.22 111.00 3h6f n HIS 152 Ca 0.01 0.00 -0.11 0.00 -0.26 0.00 0.00 57.72 57.36 3h6f n HIS 152 Cb 0.83 -0.26 -0.06 0.00 1.12 0.00 0.00 29.99 31.63 3h6f n HIS 152 CO 0.00 0.00 0.00 -0.59 0.64 0.00 0.00 176.34 176.39 3h6f s PHE 153 N -2.13 -0.14 -0.03 4.41 -0.12 -1.26 -2.11 117.98 116.60 3h6f s PHE 153 Ca -0.10 -0.13 0.03 0.00 -0.05 0.00 0.00 56.93 56.68 3h6f s PHE 153 Cb 0.04 0.18 0.00 0.00 -0.63 0.00 0.00 43.02 42.61 3h6f s PHE 153 CO 0.13 -0.63 -0.11 0.08 -0.05 0.00 0.00 175.22 174.64 3h6f s VAL 154 N -3.45 0.94 -0.10 -2.49 1.01 -0.76 -4.88 120.40 110.67 3h6f s VAL 154 Ca 0.01 -0.45 0.01 0.00 0.00 0.00 0.00 61.98 61.55 3h6f s VAL 154 Cb 0.02 -0.82 0.02 0.00 0.00 0.00 0.00 36.38 35.59 3h6f s VAL 154 CO -0.09 0.28 -0.12 -0.69 0.00 0.00 0.00 175.10 174.48 3h6f s VAL 155 N 0.13 1.25 0.04 2.92 1.01 -1.26 -1.37 120.40 123.12 3h6f s VAL 155 Ca -0.03 -0.49 0.04 0.00 0.00 0.00 0.00 61.98 61.50 3h6f s VAL 155 Cb -0.09 -1.18 -0.02 0.00 0.00 0.00 0.00 36.38 35.09 3h6f s VAL 155 CO 0.01 0.39 -0.12 -0.04 0.00 0.00 0.00 175.10 175.34 3h6f s MET 156 N 1.11 0.82 0.08 2.72 -1.94 -0.33 -5.00 119.30 116.75 3h6f s MET 156 Ca -0.05 -0.70 0.00 0.00 -1.71 0.00 0.00 55.69 53.22 3h6f s MET 156 Cb -0.14 -0.78 0.00 0.00 2.01 0.00 0.00 34.83 35.91 3h6f s MET 156 CO -0.02 0.19 0.00 0.41 -0.01 0.00 0.00 175.02 175.59 3h6f n GLY 157 N 1.92 -2.92 7.00 -0.03 0.00 -1.26 -1.12 105.19 108.78 3h6f n GLY 157 Ca -0.18 -1.27 0.00 0.00 0.00 0.00 0.00 46.02 44.57 3h6f n GLY 157 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3h6f n GLY 158 N -1.75 1.88 3.30 -0.02 0.00 -0.59 -4.33 105.19 103.68 3h6f n GLY 158 Ca -0.00 -0.46 -0.42 0.00 0.00 0.00 0.00 46.02 45.14 3h6f n GLY 158 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3h6f s THR 159 N 0.00 4.54 0.03 2.61 2.01 -1.26 -4.36 115.64 119.21 3h6f s THR 159 Ca 0.00 -1.30 -0.24 0.00 0.31 0.00 0.00 61.69 60.46 3h6f s THR 159 Cb 0.00 -3.76 -0.17 0.00 0.01 0.00 0.00 72.50 68.58 3h6f s THR 159 CO 0.00 -0.53 1.47 0.74 -0.69 0.00 0.00 174.62 175.60 3h6f h THR 160 N 5.98 1.24 -0.70 -0.82 2.02 -1.95 -3.37 112.91 115.31 3h6f h THR 160 Ca -0.25 -0.71 0.03 0.00 0.77 0.00 0.00 66.41 66.26 3h6f h THR 160 Cb 1.09 1.66 -0.05 0.00 -1.74 0.00 0.00 68.15 69.11 3h6f h THR 160 CO 0.80 0.19 0.43 -0.33 0.37 0.00 0.00 175.52 176.98 3h6f h GLU 161 N -0.23 0.81 -0.18 6.66 5.08 -1.97 -0.05 114.58 124.70 3h6f h GLU 161 Ca 0.01 -0.05 -0.08 0.00 -1.00 0.00 0.00 59.36 58.24 3h6f h GLU 161 Cb 0.30 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.36 3h6f h GLU 161 CO 0.00 0.54 -0.25 -1.35 -1.00 0.00 0.00 179.01 176.95 3h6f h PRO 162 N 0.84 0.33 0.12 2.33 0.11 -1.87 -1.77 132.00 132.09 3h6f h PRO 162 Ca 0.29 -0.11 -0.27 0.00 0.11 0.00 0.00 66.00 66.01 3h6f h PRO 162 Cb 0.05 -0.03 0.01 0.00 0.11 0.00 0.00 31.00 31.14 3h6f h PRO 162 CO -0.12 0.56 -1.21 0.82 -0.21 0.00 0.00 178.00 177.84 3h6f h ILE 163 N 0.30 1.48 -0.20 4.15 2.04 -1.63 -2.81 117.51 120.84 3h6f h ILE 163 Ca 0.05 -2.96 -0.14 0.00 1.00 0.00 0.00 64.86 62.80 3h6f h ILE 163 Cb 0.60 2.88 -0.01 0.00 -0.74 0.00 0.00 36.82 39.55 3h6f h ILE 163 CO 0.04 0.87 -0.46 0.00 0.00 0.00 0.00 178.15 178.60 3h6f h ALA 164 N 0.58 0.82 0.05 1.87 0.00 -0.91 -2.58 119.26 119.09 3h6f h ALA 164 Ca -0.13 -0.46 -0.25 0.00 0.00 0.00 0.00 54.91 54.06 3h6f h ALA 164 Cb 1.93 -0.10 0.01 0.00 0.00 0.00 0.00 17.79 19.63 3h6f h ALA 164 CO 0.20 0.66 -1.06 -0.91 0.00 0.00 0.00 179.25 178.14 3h6f h ASN 165 N 0.42 0.61 1.04 0.00 2.35 -1.41 -1.89 115.58 116.70 3h6f h ASN 165 Ca 0.03 -0.53 0.00 0.00 -0.55 0.00 0.00 56.30 55.25 3h6f h ASN 165 Cb 0.96 -0.19 0.00 0.00 0.05 0.00 0.00 38.32 39.14 3h6f h ASN 165 CO 0.09 1.35 0.00 0.00 -1.65 0.00 0.00 177.43 177.21 3h6f h ALA 166 N 0.60 1.00 0.03 -0.83 0.00 -1.47 -2.94 119.26 115.65 3h6f h ALA 166 Ca -0.11 0.00 -0.36 0.00 0.00 0.00 0.00 54.91 54.44 3h6f h ALA 166 Cb 1.72 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 19.46 3h6f h ALA 166 CO 0.19 0.00 -2.16 -0.11 0.00 0.00 0.00 179.25 177.16 3h6f n LEU 167 N -2.76 1.54 0.31 0.00 7.94 -0.98 -3.51 117.00 119.54 3h6f n LEU 167 Ca 0.02 0.11 0.20 0.00 -1.11 0.00 0.00 56.01 55.23 3h6f n LEU 167 Cb 0.31 -0.29 1.03 0.00 0.53 0.00 0.00 43.42 44.99 3h6f n LEU 167 CO 0.26 0.66 1.12 0.50 -1.11 0.00 0.00 177.39 178.81 3h6f h LYS 168 N 0.02 0.00 0.08 1.96 3.64 -1.17 -2.46 116.57 118.63 3h6f h LYS 168 Ca -0.47 0.00 -0.35 0.00 -1.27 0.00 0.00 60.65 58.57 3h6f h LYS 168 Cb 2.06 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 33.85 3h6f h LYS 168 CO 0.02 0.01 -1.94 -1.91 -2.27 0.00 0.00 179.45 173.37 3h6f n GLU 169 N -3.19 0.70 -0.61 1.90 4.07 -1.13 -4.57 120.64 117.81 3h6f n GLU 169 Ca -0.02 0.31 0.08 0.00 -0.06 0.00 0.00 57.16 57.47 3h6f n GLU 169 Cb 0.15 -1.68 0.32 0.00 -0.06 0.00 0.00 31.44 30.16 3h6f n GLU 169 CO 0.00 0.00 0.00 -1.13 -0.06 0.00 0.00 177.13 175.94 3h6f n SER 170 N -3.68 4.59 -4.67 4.31 3.41 -1.09 -5.01 113.62 111.48 3h6f n SER 170 Ca -0.35 -2.89 -0.41 0.00 -0.26 0.00 0.00 58.87 54.97 3h6f n SER 170 Cb 0.96 -0.58 -0.05 0.00 -0.26 0.00 0.00 64.21 64.28 3h6f n SER 170 CO 0.00 0.00 0.00 -0.47 -0.16 0.00 0.00 175.04 174.41 3h6f s TYR 171 N -2.63 3.42 -0.09 7.33 5.04 -0.95 -5.00 117.35 124.47 3h6f s TYR 171 Ca 0.47 1.13 -0.00 0.00 -2.44 0.00 0.00 57.07 56.23 3h6f s TYR 171 Cb 0.36 -2.91 -0.03 0.00 0.35 0.00 0.00 41.96 39.72 3h6f s TYR 171 CO 0.13 -0.18 -0.07 0.00 -1.34 0.00 0.00 175.55 174.09 3h6f s ALA 172 N 1.93 2.96 0.11 3.97 0.00 -1.26 -5.06 121.76 124.41 3h6f s ALA 172 Ca 0.35 -0.87 -0.29 0.00 0.00 0.00 0.00 51.96 51.14 3h6f s ALA 172 Cb -0.16 -1.29 -0.09 0.00 0.00 0.00 0.00 23.12 21.57 3h6f s ALA 172 CO 0.12 0.47 1.61 0.93 0.00 0.00 0.00 175.76 178.90 3h6f h GLU 173 N 5.66 -0.55 -0.44 0.00 4.39 -1.97 -3.24 114.58 118.42 3h6f h GLU 173 Ca -0.43 0.04 -0.19 0.00 0.34 0.00 0.00 59.36 59.12 3h6f h GLU 173 Cb 1.18 0.13 -0.11 0.00 -0.10 0.00 0.00 28.75 29.84 3h6f h GLU 173 CO 0.55 -0.37 0.06 0.09 -1.16 0.00 0.00 179.01 178.18 3h6f n ASN 174 N -5.43 3.14 -4.42 1.42 4.13 -1.26 -4.39 115.26 108.44 3h6f n ASN 174 Ca -0.07 -3.54 -0.46 0.00 1.68 0.00 0.00 54.58 52.19 3h6f n ASN 174 Cb 0.34 -0.65 -0.02 0.00 -1.54 0.00 0.00 39.78 37.91 3h6f n ASN 174 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3h6f n ALA 175 N -0.92 -2.38 -1.24 5.41 0.00 -1.23 -3.92 120.51 116.23 3h6f n ALA 175 Ca 0.35 0.37 -0.17 0.00 0.00 0.00 0.00 53.44 53.98 3h6f n ALA 175 Cb 1.11 -1.67 0.21 0.00 0.00 0.00 0.00 19.45 19.10 3h6f n ALA 175 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3h6f n SER 176 N 1.87 -1.44 0.25 0.00 3.41 -1.26 -2.24 113.62 114.21 3h6f n SER 176 Ca 0.15 -1.17 -0.15 0.00 -0.26 0.00 0.00 58.87 57.44 3h6f n SER 176 Cb 0.29 -0.88 -0.08 0.00 -0.26 0.00 0.00 64.21 63.28 3h6f n SER 176 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 175.04 175.13 3h6f h LEU 177 N 0.00 -0.52 -1.52 1.04 5.85 -1.99 -1.15 115.31 117.02 3h6f h LEU 177 Ca -0.36 -0.05 0.05 0.00 0.84 0.00 0.00 57.88 58.36 3h6f h LEU 177 Cb 1.08 0.13 -0.03 0.00 0.37 0.00 0.00 40.66 42.21 3h6f h LEU 177 CO 0.24 -0.26 0.38 0.71 -0.34 0.00 0.00 178.44 179.17 3h6f h THR 178 N -0.76 1.02 0.01 1.05 1.35 -1.94 -1.06 112.91 112.59 3h6f h THR 178 Ca -0.06 -0.21 -0.00 0.00 -0.55 0.00 0.00 66.41 65.59 3h6f h THR 178 Cb 0.54 0.37 0.00 0.00 -1.73 0.00 0.00 68.15 67.33 3h6f h THR 178 CO 0.10 0.11 -0.00 0.44 -0.25 0.00 0.00 175.52 175.92 3h6f h ASP 179 N 0.60 -0.01 0.13 5.36 3.32 -1.91 -3.07 116.42 120.84 3h6f h ASP 179 Ca 0.24 -0.71 -0.06 0.00 0.02 0.00 0.00 57.03 56.52 3h6f h ASP 179 Cb 0.21 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.75 3h6f h ASP 179 CO -0.07 0.72 -0.21 0.00 -1.72 0.00 0.00 179.24 177.96 3h6f h ALA 180 N 0.23 1.47 -0.10 3.45 0.00 -0.96 -2.20 119.26 121.15 3h6f h ALA 180 Ca -0.00 -0.24 -0.02 0.00 0.00 0.00 0.00 54.91 54.64 3h6f h ALA 180 Cb 0.72 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.44 3h6f h ALA 180 CO 0.00 0.38 -0.03 1.25 0.00 0.00 0.00 179.25 180.85 3h6f h LEU 181 N 0.15 0.19 -1.08 0.00 7.12 -1.30 -2.09 115.31 118.31 3h6f h LEU 181 Ca 0.03 -0.39 -0.04 0.00 0.13 0.00 0.00 57.88 57.61 3h6f h LEU 181 Cb 0.46 -0.05 -0.03 0.00 -0.53 0.00 0.00 40.66 40.51 3h6f h LEU 181 CO 0.03 0.54 0.17 -0.09 -0.13 0.00 0.00 178.44 178.96 3h6f h ARG 182 N -0.15 0.82 -0.18 1.25 2.43 -1.41 -0.92 114.38 116.22 3h6f h ARG 182 Ca 0.02 -0.15 -0.12 0.00 -0.81 0.00 0.00 59.98 58.92 3h6f h ARG 182 Cb 0.46 -0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 29.86 3h6f h ARG 182 CO 0.01 0.72 -0.41 0.82 -1.51 0.00 0.00 179.97 179.60 3h6f h ILE 183 N 0.80 1.31 -0.04 1.20 2.04 -1.36 -1.80 117.51 119.67 3h6f h ILE 183 Ca 0.18 -1.55 -0.17 0.00 1.00 0.00 0.00 64.86 64.32 3h6f h ILE 183 Cb 0.24 1.62 0.01 0.00 -0.74 0.00 0.00 36.82 37.95 3h6f h ILE 183 CO -0.01 0.48 -0.63 0.00 0.00 0.00 0.00 178.15 177.99 3h6f h ALA 184 N 1.22 0.12 -0.47 1.87 0.00 -0.79 -1.77 119.26 119.45 3h6f h ALA 184 Ca 0.03 -0.57 -0.10 0.00 0.00 0.00 0.00 54.91 54.27 3h6f h ALA 184 Cb 0.87 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.66 3h6f h ALA 184 CO 0.07 0.41 -0.11 0.28 0.00 0.00 0.00 179.25 179.91 3h6f h VAL 185 N 0.04 1.26 -0.34 0.00 2.07 -1.17 -1.33 116.25 116.79 3h6f h VAL 185 Ca -0.07 -1.20 -0.15 0.00 0.82 0.00 0.00 66.70 66.09 3h6f h VAL 185 Cb 1.31 1.01 -0.01 0.00 -1.52 0.00 0.00 31.29 32.09 3h6f h VAL 185 CO 0.13 0.42 -0.40 0.00 0.02 0.00 0.00 177.57 177.73 3h6f h ALA 186 N 1.10 0.64 -0.07 1.67 0.00 -1.38 -2.47 119.26 118.75 3h6f h ALA 186 Ca 0.13 -0.46 -0.12 0.00 0.00 0.00 0.00 54.91 54.47 3h6f h ALA 186 Cb 0.62 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 3h6f h ALA 186 CO 0.04 0.67 -0.48 0.00 0.00 0.00 0.00 179.25 179.48 3h6f h ALA 187 N 0.86 1.06 -0.06 0.00 0.00 -1.12 -3.09 119.26 116.91 3h6f h ALA 187 Ca 0.05 -0.45 -0.18 0.00 0.00 0.00 0.00 54.91 54.33 3h6f h ALA 187 Cb 0.97 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.67 3h6f h ALA 187 CO 0.09 0.63 -0.73 1.25 0.00 0.00 0.00 179.25 180.50 3h6f h LEU 188 N 0.14 0.38 0.00 0.00 5.85 -1.15 -3.14 115.31 117.40 3h6f h LEU 188 Ca 0.01 -0.25 0.00 0.00 0.84 0.00 0.00 57.88 58.47 3h6f h LEU 188 Cb 0.90 -0.11 0.00 0.00 0.37 0.00 0.00 40.66 41.82 3h6f h LEU 188 CO 0.07 0.98 0.00 0.54 -0.34 0.00 0.00 178.44 179.69 3h6f n ARG 189 N -3.81 0.23 -0.44 1.25 1.74 -0.94 -2.78 116.66 111.91 3h6f n ARG 189 Ca -0.04 0.13 0.04 0.00 -0.77 0.00 0.00 57.85 57.21 3h6f n ARG 189 Cb 0.70 -1.50 0.20 0.00 -1.02 0.00 0.00 32.46 30.85 3h6f n ARG 189 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3h6f n ALA 190 N -1.30 3.15 -0.93 7.54 0.00 -1.19 -5.11 120.51 122.67 3h6f n ALA 190 Ca 0.08 -0.95 0.00 0.00 0.00 0.00 0.00 53.44 52.57 3h6f n ALA 190 Cb 0.14 -1.06 0.00 0.00 0.00 0.00 0.00 19.45 18.53 3h6f n ALA 190 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3h6f n GLY 191 N 0.38 0.96 0.00 0.00 0.00 -1.12 -4.50 105.19 100.92 3h6f n GLY 191 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.16 3h6f n GLY 191 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3h6f n LEU 203 N 0.00 0.00 0.00 0.99 4.32 -1.26 -5.05 117.00 116.00 3h6f n LEU 203 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 55.99 3h6f n LEU 203 Cb 0.00 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 41.80 3h6f n LEU 203 CO 0.00 0.00 0.00 0.61 -1.22 0.00 0.00 177.39 176.78 3h6f n GLY 204 N 0.00 5.07 0.40 -0.72 0.00 -1.26 -4.98 105.19 103.70 3h6f n GLY 204 Ca 0.00 -2.12 0.20 0.00 0.00 0.00 0.00 46.02 44.09 3h6f n GLY 204 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3h6f h VAL 205 N 0.45 0.71 -0.07 1.61 2.07 -1.95 -2.20 116.25 116.87 3h6f h VAL 205 Ca 0.00 -0.09 -0.13 0.00 0.82 0.00 0.00 66.70 67.31 3h6f h VAL 205 Cb 0.00 0.42 -0.01 0.00 -1.52 0.00 0.00 31.29 30.18 3h6f h VAL 205 CO 0.00 0.05 -0.52 0.00 0.02 0.00 0.00 177.57 177.12 3h6f h ALA 206 N 1.64 0.99 -0.21 1.67 0.00 -1.95 -3.29 119.26 118.10 3h6f h ALA 206 Ca 0.39 -0.48 -0.02 0.00 0.00 0.00 0.00 54.91 54.80 3h6f h ALA 206 Cb 1.12 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.81 3h6f h ALA 206 CO -0.09 0.67 -0.01 -1.13 0.00 0.00 0.00 179.25 178.68 3h6f n SER 207 N -3.94 3.42 -4.18 0.00 3.41 -0.85 -4.59 113.62 106.89 3h6f n SER 207 Ca -0.02 -3.11 -0.23 0.00 -0.26 0.00 0.00 58.87 55.25 3h6f n SER 207 Cb 0.55 -0.53 -0.14 0.00 -0.26 0.00 0.00 64.21 63.83 3h6f n SER 207 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 3h6f s LEU 208 N -2.89 2.14 -0.22 1.04 1.43 -1.11 -1.83 118.68 117.25 3h6f s LEU 208 Ca 0.40 -0.45 0.02 0.00 -1.03 0.00 0.00 54.13 53.07 3h6f s LEU 208 Cb 0.34 -0.79 0.04 0.00 0.03 0.00 0.00 46.19 45.81 3h6f s LEU 208 CO 0.07 0.11 -0.13 -0.70 0.23 0.00 0.00 176.35 175.93 3h6f s GLU 209 N -1.01 2.31 -0.02 1.70 2.12 -0.53 -4.83 118.70 118.44 3h6f s GLU 209 Ca 0.05 -1.02 0.06 0.00 0.36 0.00 0.00 54.97 54.42 3h6f s GLU 209 Cb -0.08 -2.62 -0.01 0.00 0.26 0.00 0.00 34.13 31.68 3h6f s GLU 209 CO 0.01 -0.43 -0.20 0.08 -0.54 0.00 0.00 175.26 174.18 3h6f s VAL 210 N 1.27 1.59 -0.03 3.70 1.01 -1.26 -1.22 120.40 125.46 3h6f s VAL 210 Ca -0.03 -0.86 -0.25 0.00 0.00 0.00 0.00 61.98 60.84 3h6f s VAL 210 Cb -0.17 -1.33 0.05 0.00 0.00 0.00 0.00 36.38 34.94 3h6f s VAL 210 CO -0.08 0.45 0.55 0.00 0.00 0.00 0.00 175.10 176.02 3h6f s ALA 211 N -0.42 -1.43 0.16 5.51 0.00 -0.76 -1.94 121.76 122.88 3h6f s ALA 211 Ca 0.06 0.95 0.09 0.00 0.00 0.00 0.00 51.96 53.07 3h6f s ALA 211 Cb -0.08 0.05 -0.04 0.00 0.00 0.00 0.00 23.12 23.05 3h6f s ALA 211 CO -0.00 -0.34 -0.20 0.14 0.00 0.00 0.00 175.76 175.35 3h6f s VAL 212 N -1.32 1.91 -0.70 0.00 -7.23 -0.10 -0.44 120.40 112.52 3h6f s VAL 212 Ca -0.11 -1.85 -0.07 0.00 -1.81 0.00 0.00 61.98 58.13 3h6f s VAL 212 Cb -0.02 -1.84 0.18 0.00 0.56 0.00 0.00 36.38 35.27 3h6f s VAL 212 CO 0.07 -0.21 0.56 -0.76 -0.31 0.00 0.00 175.10 174.46 3h6f s LEU 213 N -2.48 5.81 -0.57 1.32 1.43 -0.38 -1.36 118.68 122.45 3h6f s LEU 213 Ca 0.15 -2.80 -0.27 0.00 -1.03 0.00 0.00 54.13 50.17 3h6f s LEU 213 Cb -0.07 -1.99 0.03 0.00 0.03 0.00 0.00 46.19 44.19 3h6f s LEU 213 CO 0.07 -0.45 1.14 -0.62 0.23 0.00 0.00 176.35 176.72 3h6f s ASP 214 N 1.24 6.44 0.00 2.29 2.15 0.07 -2.04 116.67 126.82 3h6f s ASP 214 Ca 0.17 0.04 0.10 0.00 0.43 0.00 0.00 52.55 53.29 3h6f s ASP 214 Cb -0.16 -2.53 0.58 0.00 -0.30 0.00 0.00 42.92 40.50 3h6f s ASP 214 CO -0.05 -1.42 1.14 0.00 -0.17 0.00 0.00 175.17 174.67 3h6f n ALA 215 N 8.22 1.77 0.95 3.66 0.00 -1.04 -2.28 120.51 131.79 3h6f n ALA 215 Ca 0.07 -0.06 0.12 0.00 0.00 0.00 0.00 53.44 53.58 3h6f n ALA 215 Cb 0.49 -1.17 0.22 0.00 0.00 0.00 0.00 19.45 18.99 3h6f n ALA 215 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 3h6f n ASN 216 N -1.13 2.74 -4.81 0.00 2.85 -1.26 -4.51 115.26 109.13 3h6f n ASN 216 Ca 0.06 -1.89 -0.38 0.00 -0.11 0.00 0.00 54.58 52.26 3h6f n ASN 216 Cb 0.06 -0.06 -0.06 0.00 1.24 0.00 0.00 39.78 40.95 3h6f n ASN 216 CO 0.00 0.00 0.00 -0.13 -2.11 0.00 0.00 177.26 175.02 3h6f s ARG 217 N -1.87 4.24 0.22 1.20 0.52 -0.97 -5.00 118.95 117.29 3h6f s ARG 217 Ca 0.32 0.80 -0.09 0.00 -0.52 0.00 0.00 55.73 56.24 3h6f s ARG 217 Cb 0.21 -3.16 0.33 0.00 0.52 0.00 0.00 34.95 32.84 3h6f s ARG 217 CO 0.31 0.58 1.67 -1.35 0.02 0.00 0.00 175.30 176.53 3h6f h PRO 218 N 4.25 0.17 0.00 3.54 0.11 -1.91 -3.41 132.00 134.75 3h6f h PRO 218 Ca -0.49 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.61 3h6f h PRO 218 Cb 1.21 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.28 3h6f h PRO 218 CO 0.64 0.11 0.00 -2.13 -0.21 0.00 0.00 178.00 176.41 3h6f n ARG 219 N -5.23 0.00 -2.74 1.05 0.63 -1.26 -4.39 116.66 104.73 3h6f n ARG 219 Ca 0.10 0.00 -0.42 0.00 -0.92 0.00 0.00 57.85 56.60 3h6f n ARG 219 Cb 0.37 -0.08 -0.04 0.00 0.45 0.00 0.00 32.46 33.17 3h6f n ARG 219 CO 0.00 0.00 0.00 1.03 -2.51 0.00 0.00 177.63 176.15 3h6f s ARG 220 N -1.65 3.32 0.27 -0.14 0.52 -1.26 -4.33 118.95 115.69 3h6f s ARG 220 Ca 0.00 -0.22 0.12 0.00 -0.52 0.00 0.00 55.73 55.11 3h6f s ARG 220 Cb 0.00 -4.09 0.32 0.00 0.52 0.00 0.00 34.95 31.71 3h6f s ARG 220 CO 0.00 -1.68 1.58 0.00 0.02 0.00 0.00 175.30 175.22 3h6f h ALA 221 N 9.51 0.87 -2.55 2.13 0.00 -1.37 -3.46 119.26 124.40 3h6f h ALA 221 Ca -0.27 -0.56 -0.53 0.00 0.00 0.00 0.00 54.91 53.55 3h6f h ALA 221 Cb 1.07 -0.10 0.03 0.00 0.00 0.00 0.00 17.79 18.78 3h6f h ALA 221 CO 1.15 0.77 0.80 0.12 0.00 0.00 0.00 179.25 182.10 3h6f s PHE 222 N -3.43 3.10 -0.11 0.00 5.36 -1.26 -0.75 117.98 120.89 3h6f s PHE 222 Ca -0.00 0.79 -0.06 0.00 -0.96 0.00 0.00 56.93 56.70 3h6f s PHE 222 Cb 0.12 -3.78 0.05 0.00 -0.34 0.00 0.00 43.02 39.06 3h6f s PHE 222 CO 0.75 -2.82 0.27 0.50 -1.46 0.00 0.00 175.22 172.46 3h6f s ARG 223 N 1.31 0.23 0.00 10.12 3.52 -0.46 -4.97 118.95 128.71 3h6f s ARG 223 Ca 0.67 0.54 -0.18 0.00 -0.13 0.00 0.00 55.73 56.63 3h6f s ARG 223 Cb -0.39 -0.09 -0.06 0.00 -1.56 0.00 0.00 34.95 32.86 3h6f s ARG 223 CO 0.30 -0.15 0.51 1.03 -0.81 0.00 0.00 175.30 176.18 3h6f s ARG 224 N 1.17 4.16 -0.43 5.12 0.52 -1.26 -0.92 118.95 127.30 3h6f s ARG 224 Ca -0.08 0.59 -0.05 0.00 -0.52 0.00 0.00 55.73 55.66 3h6f s ARG 224 Cb -0.09 -3.28 0.11 0.00 0.52 0.00 0.00 34.95 32.20 3h6f s ARG 224 CO -0.08 0.53 0.25 0.42 0.02 0.00 0.00 175.30 176.44 3h6f s ILE 225 N -0.65 3.64 0.29 1.52 1.01 -0.82 -4.98 121.20 121.22 3h6f s ILE 225 Ca 0.27 -1.94 0.08 0.00 0.00 0.00 0.00 60.65 59.07 3h6f s ILE 225 Cb -0.18 -3.44 -0.06 0.00 0.01 0.00 0.00 42.46 38.79 3h6f s ILE 225 CO 0.15 -0.71 -0.10 0.42 0.00 0.00 0.00 174.94 174.71 3h6f s THR 226 N 1.23 1.96 0.00 2.92 -4.23 -1.26 -4.30 115.64 111.96 3h6f s THR 226 Ca 0.07 -2.20 0.00 0.00 -1.18 0.00 0.00 61.69 58.38 3h6f s THR 226 Cb -0.24 -2.46 0.00 0.00 1.34 0.00 0.00 72.50 71.14 3h6f s THR 226 CO -0.03 -0.31 0.00 0.61 -0.54 0.00 0.00 174.62 174.36 3h6f n GLY 227 N -0.64 2.75 0.34 3.99 0.00 -1.26 -2.72 105.19 107.65 3h6f n GLY 227 Ca -0.05 0.31 0.02 0.00 0.00 0.00 0.00 46.02 46.30 3h6f n GLY 227 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 3h6f h SER 228 N 0.00 0.91 0.63 1.61 0.87 -1.99 -1.88 113.55 113.70 3h6f h SER 228 Ca 0.00 0.02 -0.11 0.00 -1.23 0.00 0.00 61.79 60.47 3h6f h SER 228 Cb 0.00 -0.17 -0.02 0.00 -0.44 0.00 0.00 62.40 61.78 3h6f h SER 228 CO 0.00 0.56 -0.53 0.00 -0.53 0.00 0.00 176.83 176.33 3h6f h ALA 229 N 1.45 1.04 0.00 6.23 0.00 -1.92 -2.92 119.26 123.14 3h6f h ALA 229 Ca 0.41 -0.48 -0.20 0.00 0.00 0.00 0.00 54.91 54.65 3h6f h ALA 229 Cb 0.23 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.91 3h6f h ALA 229 CO -0.19 0.66 -0.94 1.25 0.00 0.00 0.00 179.25 180.03 3h6f h LEU 230 N 0.00 0.00 -1.19 0.00 5.85 -1.46 -3.19 115.31 115.31 3h6f h LEU 230 Ca -0.01 0.00 -0.08 0.00 0.84 0.00 0.00 57.88 58.64 3h6f h LEU 230 Cb 0.98 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.00 3h6f h LEU 230 CO 0.07 0.94 -0.31 -0.61 -0.34 0.00 0.00 178.44 178.19 3h6f h GLN 231 N 0.00 0.16 -0.09 1.25 5.75 -1.17 -1.69 115.11 119.32 3h6f h GLN 231 Ca -0.01 -0.06 -0.21 0.00 -0.15 0.00 0.00 58.65 58.23 3h6f h GLN 231 Cb 1.70 -0.01 0.00 0.00 1.07 0.00 0.00 27.48 30.25 3h6f h GLN 231 CO 0.12 0.46 -0.79 0.00 -2.65 0.00 0.00 178.83 175.97 3h6f h ALA 232 N 1.55 0.45 -0.03 3.38 0.00 -1.53 -3.19 119.26 119.88 3h6f h ALA 232 Ca 0.02 -0.62 0.00 0.00 0.00 0.00 0.00 54.91 54.30 3h6f h ALA 232 Cb 0.62 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.38 3h6f h ALA 232 CO 0.05 0.74 0.00 1.28 0.00 0.00 0.00 179.25 181.32 3h6f n LEU 233 N -3.86 1.53 -0.01 0.00 4.77 -1.04 -5.14 117.00 113.25 3h6f n LEU 233 Ca -0.06 -0.52 0.16 0.00 -0.03 0.00 0.00 56.01 55.56 3h6f n LEU 233 Cb 0.75 -0.01 0.94 0.00 -2.33 0.00 0.00 43.42 42.77 3h6f n LEU 233 CO 0.50 0.26 1.10 -0.11 -1.33 0.00 0.00 177.39 177.82