#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3h6f h PRO 9 N 0.00 0.00 0.00 -1.46 0.11 -2.06 -2.41 132.00 126.18 3h6f h PRO 9 Ca 0.00 0.00 -0.30 0.00 0.11 0.00 0.00 66.00 65.81 3h6f h PRO 9 Cb 0.00 0.00 -0.05 0.00 0.11 0.00 0.00 31.00 31.06 3h6f h PRO 9 CO 0.00 0.00 -1.87 -1.91 -0.21 0.00 0.00 178.00 174.01 3h6f n GLU 10 N -3.09 0.65 0.03 1.05 2.13 -1.26 -3.34 120.64 116.81 3h6f n GLU 10 Ca -0.01 0.21 -0.14 0.00 0.66 0.00 0.00 57.16 57.88 3h6f n GLU 10 Cb 0.32 -1.72 -0.04 0.00 0.27 0.00 0.00 31.44 30.27 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 0.58 -0.56 5.31 5.75 -1.92 -2.99 115.11 121.28 3h6f h GLN 11 Ca -0.35 -0.52 -0.08 0.00 -0.15 0.00 0.00 58.65 57.56 3h6f h GLN 11 Cb 2.05 0.12 -0.02 0.00 1.07 0.00 0.00 27.48 30.70 3h6f h GLN 11 CO 0.06 1.14 0.04 0.00 -2.65 0.00 0.00 178.83 177.43 3h6f h ALA 12 N 0.70 0.75 -0.49 3.38 0.00 -1.60 -1.85 119.26 120.15 3h6f h ALA 12 Ca -0.06 -0.28 -0.04 0.00 0.00 0.00 0.00 54.91 54.53 3h6f h ALA 12 Cb 1.45 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 19.01 3h6f h ALA 12 CO 0.16 0.55 0.15 0.52 0.00 0.00 0.00 179.25 180.62 3h6f h MET 13 N 0.86 0.73 0.18 0.00 2.86 -1.57 -1.90 114.93 116.08 3h6f h MET 13 Ca 0.17 -0.12 -0.31 0.00 -2.06 0.00 0.00 59.70 57.37 3h6f h MET 13 Cb 0.48 -0.12 0.03 0.00 0.06 0.00 0.00 31.60 32.05 3h6f h MET 13 CO 0.02 0.64 -1.34 -0.09 1.06 0.00 0.00 176.91 177.19 3h6f h ARG 14 N 0.71 0.57 -0.07 1.72 2.43 -1.36 -2.80 114.38 115.59 3h6f h ARG 14 Ca 0.17 -0.85 -0.13 0.00 -0.81 0.00 0.00 59.98 58.36 3h6f h ARG 14 Cb 0.22 0.30 -0.01 0.00 -0.42 0.00 0.00 29.97 30.05 3h6f h ARG 14 CO -0.01 1.40 -0.53 0.93 -1.51 0.00 0.00 179.97 180.25 3h6f h GLU 15 N 0.21 0.19 -0.12 0.20 5.08 -1.24 -1.19 114.58 117.71 3h6f h GLU 15 Ca -0.21 -0.11 -0.15 0.00 -1.00 0.00 0.00 59.36 57.88 3h6f h GLU 15 Cb 2.03 0.01 0.01 0.00 0.50 0.00 0.00 28.75 31.29 3h6f h GLU 15 CO 0.25 0.67 -0.52 0.00 -1.00 0.00 0.00 179.01 178.42 3h6f h ARG 16 N 0.15 0.56 -0.23 2.33 3.08 -1.45 -1.98 114.38 116.83 3h6f h ARG 16 Ca 0.00 -0.45 -0.04 0.00 0.07 0.00 0.00 59.98 59.56 3h6f h ARG 16 Cb 0.98 0.09 -0.01 0.00 0.08 0.00 0.00 29.97 31.11 3h6f h ARG 16 CO 0.08 1.07 -0.05 1.03 -1.07 0.00 0.00 179.97 181.03 3h6f h SER 17 N 0.18 0.33 0.01 7.04 0.87 -1.40 -2.15 113.55 118.43 3h6f h SER 17 Ca -0.03 -0.06 -0.26 0.00 -1.23 0.00 0.00 61.79 60.21 3h6f h SER 17 Cb 1.16 -0.09 0.02 0.00 -0.44 0.00 0.00 62.40 63.05 3h6f h SER 17 CO 0.11 0.43 -1.03 -0.08 -0.53 0.00 0.00 176.83 175.73 3h6f h GLU 18 N 0.34 0.67 -0.90 2.24 4.57 -1.17 -1.95 114.58 118.38 3h6f h GLU 18 Ca 0.07 -0.74 -0.01 0.00 -1.18 0.00 0.00 59.36 57.51 3h6f h GLU 18 Cb 0.31 0.21 -0.04 0.00 -0.16 0.00 0.00 28.75 29.07 3h6f h GLU 18 CO 0.01 1.32 0.54 1.25 -1.18 0.00 0.00 179.01 180.95 3h6f h LEU 19 N 0.33 1.09 -0.03 1.64 6.46 -1.06 -1.42 115.31 122.32 3h6f h LEU 19 Ca -0.13 -0.07 -0.12 0.00 -0.12 0.00 0.00 57.88 57.44 3h6f h LEU 19 Cb 1.69 -0.27 0.01 0.00 -0.73 0.00 0.00 40.66 41.35 3h6f h LEU 19 CO 0.20 0.84 -0.44 0.00 -0.62 0.00 0.00 178.44 178.42 3h6f h ALA 20 N 1.29 0.10 -0.50 1.25 0.00 -1.44 -2.98 119.26 116.97 3h6f h ALA 20 Ca 0.32 -0.51 -0.02 0.00 0.00 0.00 0.00 54.91 54.71 3h6f h ALA 20 Cb -0.04 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 3h6f h ALA 20 CO -0.06 0.25 0.23 -0.09 0.00 0.00 0.00 179.25 179.58 3h6f h ARG 21 N -0.18 0.71 -0.09 0.00 2.43 -1.18 -2.16 114.38 113.90 3h6f h ARG 21 Ca -0.05 -0.09 -0.16 0.00 -0.81 0.00 0.00 59.98 58.88 3h6f h ARG 21 Cb 1.13 -0.14 -0.01 0.00 -0.42 0.00 0.00 29.97 30.54 3h6f h ARG 21 CO 0.09 0.56 -0.63 0.87 -1.51 0.00 0.00 179.97 179.35 3h6f h LYS 22 N 0.71 0.35 -0.14 0.20 1.57 -1.34 -1.71 116.57 116.21 3h6f h LYS 22 Ca 0.18 -0.25 -0.14 0.00 -1.87 0.00 0.00 60.65 58.57 3h6f h LYS 22 Cb 0.10 0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.44 3h6f h LYS 22 CO -0.02 0.86 -0.50 0.78 -0.57 0.00 0.00 179.45 180.00 3h6f h GLY 23 N 1.34 0.41 1.40 3.86 0.00 -1.26 -2.42 103.07 106.40 3h6f h GLY 23 Ca -0.01 -0.44 -0.23 0.00 0.00 0.00 0.00 47.33 46.64 3h6f h GLY 23 CO 0.10 0.40 -0.93 -2.22 0.00 0.00 0.00 176.54 173.90 3h6f h ILE 24 N 0.30 1.34 0.00 2.60 2.04 -1.36 -3.17 117.51 119.26 3h6f h ILE 24 Ca 0.01 -2.29 -0.05 0.00 1.00 0.00 0.00 64.86 63.54 3h6f h ILE 24 Cb 0.99 2.31 -0.01 0.00 -0.74 0.00 0.00 36.82 39.37 3h6f h ILE 24 CO 0.08 0.70 -0.23 0.00 0.00 0.00 0.00 178.15 178.70 3h6f h ALA 25 N 0.64 1.31 0.00 1.87 0.00 -1.19 -1.31 119.26 120.57 3h6f h ALA 25 Ca -0.09 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.61 3h6f h ALA 25 Cb 1.56 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.31 3h6f h ALA 25 CO 0.17 0.29 -0.36 0.54 0.00 0.00 0.00 179.25 179.89 3h6f n ARG 26 N -3.82 0.12 -3.08 0.00 1.74 -0.92 -3.94 116.66 106.76 3h6f n ARG 26 Ca -0.02 0.05 -0.23 0.00 -0.77 0.00 0.00 57.85 56.88 3h6f n ARG 26 Cb 0.33 -1.59 0.00 0.00 -1.02 0.00 0.00 32.46 30.18 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 -3.06 3.74 0.77 7.54 0.00 -1.04 -4.96 121.76 124.75 3h6f s ALA 27 Ca 0.10 -1.01 -0.11 0.00 0.00 0.00 0.00 51.96 50.94 3h6f s ALA 27 Cb 0.16 -2.14 0.06 0.00 0.00 0.00 0.00 23.12 21.20 3h6f s ALA 27 CO 0.65 -0.28 1.11 0.15 0.00 0.00 0.00 175.76 177.40 3h6f s LYS 28 N -4.49 2.14 0.22 0.00 1.02 -1.26 -1.96 119.74 115.40 3h6f s LYS 28 Ca 0.46 1.30 -0.09 0.00 0.02 0.00 0.00 55.97 57.66 3h6f s LYS 28 Cb -0.10 -1.87 -0.07 0.00 -0.52 0.00 0.00 37.83 35.27 3h6f s LYS 28 CO 0.38 -1.75 0.53 -1.12 -0.92 0.00 0.00 175.35 172.47 3h6f s SER 29 N -3.07 6.61 -0.02 2.83 0.01 -1.26 -4.23 113.70 114.57 3h6f s SER 29 Ca 0.64 0.89 0.02 0.00 1.31 0.00 0.00 55.95 58.80 3h6f s SER 29 Cb -0.19 -2.21 0.01 0.00 0.21 0.00 0.00 66.02 63.83 3h6f s SER 29 CO 0.53 -0.06 -0.05 -0.69 0.41 0.00 0.00 173.24 173.37 3h6f s VAL 30 N -1.81 0.51 0.02 3.43 1.01 -0.32 -1.94 120.40 121.29 3h6f s VAL 30 Ca 0.47 -0.20 0.07 0.00 0.00 0.00 0.00 61.98 62.31 3h6f s VAL 30 Cb -0.11 -0.48 -0.02 0.00 0.00 0.00 0.00 36.38 35.77 3h6f s VAL 30 CO 0.22 0.18 -0.21 0.68 0.00 0.00 0.00 175.10 175.96 3h6f s VAL 31 N 0.31 1.66 -0.09 2.92 -7.23 -0.08 -1.17 120.40 116.71 3h6f s VAL 31 Ca -0.04 -1.05 -0.00 0.00 -1.81 0.00 0.00 61.98 59.08 3h6f s VAL 31 Cb -0.08 -1.41 0.02 0.00 0.56 0.00 0.00 36.38 35.47 3h6f s VAL 31 CO -0.00 0.33 -0.06 0.00 -0.31 0.00 0.00 175.10 175.06 3h6f s ALA 32 N -0.65 1.15 0.02 1.32 0.00 -0.35 -0.60 121.76 122.64 3h6f s ALA 32 Ca 0.08 -0.41 0.01 0.00 0.00 0.00 0.00 51.96 51.63 3h6f s ALA 32 Cb -0.08 -0.80 -0.01 0.00 0.00 0.00 0.00 23.12 22.22 3h6f s ALA 32 CO 0.01 -0.33 -0.03 -0.48 0.00 0.00 0.00 175.76 174.92 3h6f s LEU 33 N 1.58 2.16 0.21 0.00 0.05 -0.32 -0.74 118.68 121.62 3h6f s LEU 33 Ca 0.01 -0.35 -0.30 0.00 0.05 0.00 0.00 54.13 53.54 3h6f s LEU 33 Cb -0.13 -0.01 -0.08 0.00 -2.05 0.00 0.00 46.19 43.92 3h6f s LEU 33 CO -0.06 -0.18 1.05 0.00 -0.55 0.00 0.00 176.35 176.62 3h6f s ALA 34 N -0.97 3.36 0.28 1.48 0.00 -0.97 -0.53 121.76 124.41 3h6f s ALA 34 Ca -0.09 0.77 0.03 0.00 0.00 0.00 0.00 51.96 52.67 3h6f s ALA 34 Cb -0.07 -3.31 -0.04 0.00 0.00 0.00 0.00 23.12 19.71 3h6f s ALA 34 CO -0.00 -0.10 0.19 1.52 0.00 0.00 0.00 175.76 177.37 3h6f s TYR 35 N -0.61 1.51 0.24 0.00 -0.85 0.82 -4.77 117.35 113.68 3h6f s TYR 35 Ca 0.46 -1.48 -0.07 0.00 -0.52 0.00 0.00 57.07 55.46 3h6f s TYR 35 Cb -0.29 -0.70 0.24 0.00 0.38 0.00 0.00 41.96 41.60 3h6f s TYR 35 CO 0.35 -0.69 1.90 0.00 -1.52 0.00 0.00 175.55 175.59 3h6f h ALA 36 N 2.33 1.16 0.00 9.51 0.00 -1.44 -2.32 119.26 128.49 3h6f h ALA 36 Ca -0.31 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.52 3h6f h ALA 36 Cb 1.24 -0.34 -0.00 0.00 0.00 0.00 0.00 17.79 18.69 3h6f h ALA 36 CO 0.46 0.49 -0.13 0.78 0.00 0.00 0.00 179.25 180.85 3h6f h GLY 37 N 1.17 0.00 0.00 0.00 0.00 -1.92 -3.49 103.07 98.82 3h6f h GLY 37 Ca 0.34 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.67 3h6f h GLY 37 CO -0.09 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.06 3h6f n GLY 38 N -0.70 0.31 3.82 4.60 0.00 -0.87 -2.15 105.19 110.20 3h6f n GLY 38 Ca -0.02 -1.09 -0.36 0.00 0.00 0.00 0.00 46.02 44.55 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 -3.47 5.13 -0.09 1.61 1.01 -1.04 -0.13 120.40 123.43 3h6f s VAL 39 Ca 0.00 0.01 0.03 0.00 0.00 0.00 0.00 61.98 62.02 3h6f s VAL 39 Cb 0.00 -3.24 -0.01 0.00 0.00 0.00 0.00 36.38 33.13 3h6f s VAL 39 CO 0.00 0.57 -0.20 -0.22 0.00 0.00 0.00 175.10 175.24 3h6f s LEU 40 N -1.14 2.32 -0.17 3.92 2.96 0.31 -1.01 118.68 125.88 3h6f s LEU 40 Ca 0.16 -0.45 -0.00 0.00 -0.22 0.00 0.00 54.13 53.62 3h6f s LEU 40 Cb -0.12 -1.47 0.00 0.00 0.50 0.00 0.00 46.19 45.10 3h6f s LEU 40 CO 0.06 0.20 -0.14 -0.36 -1.32 0.00 0.00 176.35 174.79 3h6f s PHE 41 N 0.11 2.81 -0.11 5.38 0.08 0.04 -1.17 117.98 125.12 3h6f s PHE 41 Ca -0.10 -1.10 0.01 0.00 0.12 0.00 0.00 56.93 55.87 3h6f s PHE 41 Cb -0.16 -1.92 0.02 0.00 -0.57 0.00 0.00 43.02 40.39 3h6f s PHE 41 CO 0.06 -0.52 -0.14 0.08 -0.10 0.00 0.00 175.22 174.59 3h6f s VAL 42 N 0.96 1.41 0.04 -0.44 1.01 0.23 -2.24 120.40 121.37 3h6f s VAL 42 Ca -0.02 -0.59 0.04 0.00 0.00 0.00 0.00 61.98 61.41 3h6f s VAL 42 Cb -0.15 -1.30 -0.02 0.00 0.00 0.00 0.00 36.38 34.91 3h6f s VAL 42 CO -0.02 0.42 -0.12 0.00 0.00 0.00 0.00 175.10 175.39 3h6f s ALA 43 N 1.05 0.95 -0.59 5.51 0.00 -0.52 -0.91 121.76 127.25 3h6f s ALA 43 Ca -0.06 -0.77 -0.24 0.00 0.00 0.00 0.00 51.96 50.89 3h6f s ALA 43 Cb -0.15 -0.11 0.04 0.00 0.00 0.00 0.00 23.12 22.91 3h6f s ALA 43 CO -0.02 0.14 0.99 -2.00 0.00 0.00 0.00 175.76 174.88 3h6f s GLU 44 N -1.21 3.29 -0.23 0.00 2.12 -0.82 -1.79 118.70 120.07 3h6f s GLU 44 Ca -0.02 -0.32 -0.03 0.00 0.36 0.00 0.00 54.97 54.96 3h6f s GLU 44 Cb -0.08 -4.09 0.10 0.00 0.26 0.00 0.00 34.13 30.32 3h6f s GLU 44 CO 0.01 -1.62 0.23 1.21 -0.54 0.00 0.00 175.26 174.56 3h6f s ASN 45 N 3.08 1.57 0.41 -1.70 2.47 -0.96 -4.66 114.94 115.16 3h6f s ASN 45 Ca 0.30 -0.41 0.21 0.00 0.42 0.00 0.00 52.86 53.39 3h6f s ASN 45 Cb -0.13 0.37 0.79 0.00 -1.45 0.00 0.00 41.25 40.84 3h6f s ASN 45 CO 0.18 -0.35 1.78 1.55 -3.72 0.00 0.00 177.10 176.54 3h6f h PRO 46 N 8.31 0.00 -6.90 0.43 0.13 -1.80 -3.23 132.00 128.93 3h6f h PRO 46 Ca -0.16 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 32.30 3h6f h PRO 46 CO 0.31 0.29 0.51 0.45 -0.23 0.00 0.00 178.00 179.33 3h6f s SER 47 N -6.31 6.76 -0.00 1.44 0.15 -1.26 -4.79 113.70 109.70 3h6f s SER 47 Ca 0.00 2.35 0.21 0.00 0.70 0.00 0.00 55.95 59.22 3h6f s SER 47 Cb 0.10 -2.62 -0.21 0.00 -1.71 0.00 0.00 66.02 61.59 3h6f s SER 47 CO 0.66 -0.51 0.90 -1.14 1.20 0.00 0.00 173.24 174.35 3h6f n ARG 48 N 0.44 0.03 -0.08 5.44 0.63 -1.26 -4.60 116.66 117.25 3h6f n ARG 48 Ca 0.02 -0.01 -0.14 0.00 -0.92 0.00 0.00 57.85 56.80 3h6f n ARG 48 Cb 0.46 -1.50 -0.07 0.00 0.45 0.00 0.00 32.46 31.80 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 -1.54 2.03 -4.55 6.15 7.64 -1.26 -4.93 113.62 117.16 3h6f n SER 49 Ca 0.04 0.05 -0.42 0.00 1.01 0.00 0.00 58.87 59.55 3h6f n SER 49 Cb 0.34 -0.37 -0.03 0.00 -1.01 0.00 0.00 64.21 63.14 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 -6.39 3.60 0.10 -3.43 1.43 -1.26 -5.02 118.68 107.71 3h6f s LEU 50 Ca -0.23 -0.20 -0.27 0.00 -1.03 0.00 0.00 54.13 52.41 3h6f s LEU 50 Cb 0.07 -2.90 -0.06 0.00 0.03 0.00 0.00 46.19 43.33 3h6f s LEU 50 CO 0.34 -1.50 0.84 -1.10 0.23 0.00 0.00 176.35 175.15 3h6f s GLN 51 N 4.83 4.60 -0.01 1.70 -1.52 -1.26 -4.85 119.66 123.15 3h6f s GLN 51 Ca 0.37 1.23 0.15 0.00 -1.95 0.00 0.00 55.36 55.15 3h6f s GLN 51 Cb -0.09 -3.34 -0.20 0.00 -0.22 0.00 0.00 33.01 29.16 3h6f s GLN 51 CO 0.21 0.34 0.44 1.63 -0.25 0.00 0.00 175.29 177.65 3h6f n LYS 52 N 2.46 1.19 -5.23 2.91 5.02 -1.26 -4.97 118.16 118.28 3h6f n LYS 52 Ca -0.02 -0.08 -0.30 0.00 -2.02 0.00 0.00 58.31 55.89 3h6f n LYS 52 Cb 0.49 -1.28 -0.16 0.00 -0.02 0.00 0.00 35.03 34.07 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 1.95 0.19 -0.18 1.01 -1.26 -1.35 121.20 118.80 3h6f s ILE 53 Ca -0.01 -1.05 -0.21 0.00 0.00 0.00 0.00 60.65 59.37 3h6f s ILE 53 Cb 0.10 -1.62 0.05 0.00 0.01 0.00 0.00 42.46 41.01 3h6f s ILE 53 CO 0.60 0.55 0.60 -0.55 0.00 0.00 0.00 174.94 176.14 3h6f s SER 54 N -0.55 -0.45 0.21 3.58 0.15 0.13 -5.00 113.70 111.78 3h6f s SER 54 Ca 0.09 -0.20 -0.29 0.00 0.70 0.00 0.00 55.95 56.24 3h6f s SER 54 Cb -0.10 0.61 -0.08 0.00 -1.71 0.00 0.00 66.02 64.74 3h6f s SER 54 CO -0.01 -1.05 0.92 -0.70 1.20 0.00 0.00 173.24 173.61 3h6f s GLU 55 N -3.80 4.80 -0.13 5.44 2.12 -1.26 0.06 118.70 125.92 3h6f s GLU 55 Ca 0.04 1.44 -0.08 0.00 0.36 0.00 0.00 54.97 56.72 3h6f s GLU 55 Cb -0.02 -3.29 -0.06 0.00 0.26 0.00 0.00 34.13 31.02 3h6f s GLU 55 CO -0.08 0.49 -0.20 1.28 -0.54 0.00 0.00 175.26 176.21 3h6f n LEU 56 N 1.67 1.22 0.00 2.70 4.77 -0.58 -4.82 117.00 121.97 3h6f n LEU 56 Ca -0.02 0.21 -0.04 0.00 -0.03 0.00 0.00 56.01 56.12 3h6f n LEU 56 Cb 0.48 -0.49 -0.01 0.00 -2.33 0.00 0.00 43.42 41.07 3h6f n LEU 56 CO 0.50 0.13 0.07 0.00 -1.33 0.00 0.00 177.39 176.76 3h6f n TYR 57 N -3.79 -0.85 -0.32 -1.77 9.36 -1.03 -4.72 117.16 114.03 3h6f n TYR 57 Ca -0.26 -0.70 -0.08 0.00 3.32 0.00 0.00 57.90 60.18 3h6f n TYR 57 Cb 0.62 0.19 -0.08 0.00 -0.63 0.00 0.00 39.34 39.44 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 -1.85 -0.82 -0.48 2.98 8.00 -1.26 -2.53 116.55 120.58 3h6f n ASP 58 Ca -0.00 1.53 0.04 0.00 0.71 0.00 0.00 54.79 57.07 3h6f n ASP 58 Cb 0.18 -0.25 0.11 0.00 -0.02 0.00 0.00 41.12 41.14 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 -4.79 2.64 -4.56 -1.24 5.12 -1.26 -1.19 116.66 111.38 3h6f n ARG 59 Ca 0.02 -1.84 -0.34 0.00 -1.93 0.00 0.00 57.85 53.76 3h6f n ARG 59 Cb 0.20 -1.21 -0.12 0.00 -1.16 0.00 0.00 32.46 30.17 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 -0.97 3.67 0.33 1.55 1.01 -1.05 -2.11 120.40 122.82 3h6f s VAL 60 Ca 0.17 -0.46 0.10 0.00 0.00 0.00 0.00 61.98 61.79 3h6f s VAL 60 Cb 0.09 -2.55 -0.06 0.00 0.00 0.00 0.00 36.38 33.86 3h6f s VAL 60 CO 0.12 0.54 -0.12 -0.83 0.00 0.00 0.00 175.10 174.82 3h6f s GLY 61 N -0.12 2.13 0.02 4.51 0.00 0.36 -1.53 107.32 112.69 3h6f s GLY 61 Ca 0.01 -2.05 0.04 0.00 0.00 0.00 0.00 44.72 42.72 3h6f s GLY 61 CO 0.03 -2.02 -0.12 -0.12 0.00 0.00 0.00 173.10 170.87 3h6f s PHE 62 N -2.59 1.02 -0.14 1.90 5.36 0.11 -1.70 117.98 121.94 3h6f s PHE 62 Ca 0.32 -0.30 -0.12 0.00 -0.96 0.00 0.00 56.93 55.86 3h6f s PHE 62 Cb 0.01 -0.62 0.04 0.00 -0.34 0.00 0.00 43.02 42.11 3h6f s PHE 62 CO 0.16 0.00 0.37 0.00 -1.46 0.00 0.00 175.22 174.29 3h6f s ALA 63 N -0.69 -0.91 0.07 11.12 0.00 -0.46 -0.69 121.76 130.20 3h6f s ALA 63 Ca 0.01 1.06 -0.09 0.00 0.00 0.00 0.00 51.96 52.93 3h6f s ALA 63 Cb -0.07 -0.62 0.00 0.00 0.00 0.00 0.00 23.12 22.44 3h6f s ALA 63 CO 0.01 -0.18 0.20 0.00 0.00 0.00 0.00 175.76 175.79 3h6f s ALA 64 N 0.26 -0.32 0.00 0.00 0.00 -0.46 -0.29 121.76 120.96 3h6f s ALA 64 Ca -0.01 -0.43 0.02 0.00 0.00 0.00 0.00 51.96 51.54 3h6f s ALA 64 Cb -0.03 0.39 -0.01 0.00 0.00 0.00 0.00 23.12 23.48 3h6f s ALA 64 CO -0.00 -0.44 -0.05 0.00 0.00 0.00 0.00 175.76 175.26 3h6f s ALA 65 N -3.25 0.42 0.00 0.00 0.00 -0.47 -4.84 121.76 113.61 3h6f s ALA 65 Ca 0.00 -0.27 0.00 0.00 0.00 0.00 0.00 51.96 51.69 3h6f s ALA 65 Cb 0.02 -0.08 0.00 0.00 0.00 0.00 0.00 23.12 23.06 3h6f s ALA 65 CO -0.08 0.08 0.00 0.41 0.00 0.00 0.00 175.76 176.18 3h6f n GLY 66 N 2.79 0.59 3.66 0.00 0.00 -1.26 -1.15 105.19 109.82 3h6f n GLY 66 Ca -0.14 -1.72 -0.43 0.00 0.00 0.00 0.00 46.02 43.74 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 -1.44 4.19 0.13 1.61 2.20 -0.47 -4.92 119.74 121.04 3h6f s LYS 67 Ca 0.00 1.52 -0.30 0.00 -0.36 0.00 0.00 55.97 56.83 3h6f s LYS 67 Cb 0.00 -3.75 -0.07 0.00 -1.51 0.00 0.00 37.83 32.50 3h6f s LYS 67 CO 0.00 -0.75 1.57 0.35 -0.36 0.00 0.00 175.35 176.15 3h6f h PHE 68 N 8.19 -1.42 -0.80 4.03 3.57 -1.96 -2.44 116.94 126.11 3h6f h PHE 68 Ca -0.25 0.06 0.23 0.00 3.53 0.00 0.00 57.97 61.55 3h6f h PHE 68 Cb 1.09 0.65 -0.03 0.00 2.79 0.00 0.00 35.95 40.45 3h6f h PHE 68 CO 0.80 -0.49 0.58 -2.95 -2.23 0.00 0.00 178.31 174.02 3h6f h ASN 69 N -0.46 0.00 0.14 0.41 7.08 -1.99 -0.13 115.58 120.63 3h6f h ASN 69 Ca 0.08 0.00 -0.19 0.00 -3.08 0.00 0.00 56.30 53.11 3h6f h ASN 69 Cb 0.63 0.00 0.02 0.00 -2.08 0.00 0.00 38.32 36.89 3h6f h ASN 69 CO -0.49 0.00 -0.83 -0.33 -2.08 0.00 0.00 177.43 173.70 3h6f h GLU 70 N 0.00 0.31 0.00 4.14 5.08 -1.86 -3.07 114.58 119.17 3h6f h GLU 70 Ca 0.38 -0.52 -0.04 0.00 -1.00 0.00 0.00 59.36 58.17 3h6f h GLU 70 Cb 1.54 0.19 -0.01 0.00 0.50 0.00 0.00 28.75 30.98 3h6f h GLU 70 CO -0.00 1.25 -0.29 0.27 -1.00 0.00 0.00 179.01 179.23 3h6f h PHE 71 N -0.35 0.00 -0.05 4.33 -5.15 -0.98 -2.96 116.94 111.79 3h6f h PHE 71 Ca -0.14 0.00 -0.14 0.00 -0.20 0.00 0.00 57.97 57.48 3h6f h PHE 71 Cb 1.65 0.00 -0.01 0.00 0.22 0.00 0.00 35.95 37.81 3h6f h PHE 71 CO 0.19 0.20 -0.61 0.22 -2.00 0.00 0.00 178.31 176.31 3h6f h ASP 72 N 0.00 0.20 -0.17 -0.68 3.58 -1.16 -0.80 116.42 117.39 3h6f h ASP 72 Ca -0.01 -0.11 -0.10 0.00 0.42 0.00 0.00 57.03 57.23 3h6f h ASP 72 Cb 1.16 -0.06 -0.01 0.00 1.72 0.00 0.00 39.33 42.13 3h6f h ASP 72 CO 0.02 0.76 -0.23 -1.13 -2.88 0.00 0.00 179.24 175.78 3h6f h ASN 73 N 0.13 0.62 0.65 2.28 -1.24 -1.48 -1.29 115.58 115.25 3h6f h ASN 73 Ca -0.01 -0.21 -0.20 0.00 0.71 0.00 0.00 56.30 56.59 3h6f h ASN 73 Cb 1.11 -0.17 -0.01 0.00 0.73 0.00 0.00 38.32 39.98 3h6f h ASN 73 CO 0.09 0.84 -0.90 -0.07 -1.29 0.00 0.00 177.43 176.10 3h6f h LEU 74 N 0.54 0.21 -0.35 0.34 3.38 -1.33 -2.05 115.31 116.05 3h6f h LEU 74 Ca 0.08 -0.18 -0.05 0.00 0.09 0.00 0.00 57.88 57.81 3h6f h LEU 74 Cb 0.69 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.36 3h6f h LEU 74 CO 0.05 1.01 0.01 -0.09 0.09 0.00 0.00 178.44 179.51 3h6f h ARG 75 N 0.08 0.62 -0.40 1.13 2.43 -0.82 -1.39 114.38 116.03 3h6f h ARG 75 Ca -0.04 -0.19 -0.05 0.00 -0.81 0.00 0.00 59.98 58.88 3h6f h ARG 75 Cb 1.55 -0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 31.02 3h6f h ARG 75 CO 0.13 0.73 0.05 0.00 -1.51 0.00 0.00 179.97 179.37 3h6f h ARG 76 N 0.43 0.68 0.00 0.20 3.08 -1.23 -1.80 114.38 115.74 3h6f h ARG 76 Ca 0.10 -0.19 -0.06 0.00 0.07 0.00 0.00 59.98 59.90 3h6f h ARG 76 Cb 0.44 -0.07 -0.01 0.00 0.08 0.00 0.00 29.97 30.41 3h6f h ARG 76 CO 0.02 0.73 -0.29 0.78 -1.07 0.00 0.00 179.97 180.14 3h6f h GLY 77 N 0.52 0.00 1.41 0.04 0.00 -1.31 -1.14 103.07 102.57 3h6f h GLY 77 Ca 0.12 0.00 -0.24 0.00 0.00 0.00 0.00 47.33 47.21 3h6f h GLY 77 CO 0.01 0.00 -0.97 -1.33 0.00 0.00 0.00 176.54 174.25 3h6f h GLY 78 N 0.88 0.60 1.35 4.60 0.00 -0.99 -2.16 103.07 107.36 3h6f h GLY 78 Ca -0.00 -1.03 -0.11 0.00 0.00 0.00 0.00 47.33 46.18 3h6f h GLY 78 CO 0.04 0.91 -0.22 -2.22 0.00 0.00 0.00 176.54 175.05 3h6f h ILE 79 N 0.31 1.27 -0.68 2.60 2.04 -0.92 -0.96 117.51 121.17 3h6f h ILE 79 Ca -0.10 -1.33 -0.07 0.00 1.00 0.00 0.00 64.86 64.37 3h6f h ILE 79 Cb 1.61 1.22 -0.03 0.00 -0.74 0.00 0.00 36.82 38.88 3h6f h ILE 79 CO 0.18 0.44 0.16 -0.61 0.00 0.00 0.00 178.15 178.32 3h6f h GLN 80 N 0.66 1.09 0.02 2.37 5.75 -1.19 -1.39 115.11 122.41 3h6f h GLN 80 Ca 0.09 -0.27 -0.00 0.00 -0.15 0.00 0.00 58.65 58.32 3h6f h GLN 80 Cb 0.73 -0.14 0.00 0.00 1.07 0.00 0.00 27.48 29.14 3h6f h GLN 80 CO 0.06 0.97 -0.01 0.35 -2.65 0.00 0.00 178.83 177.55 3h6f h PHE 81 N 1.02 -0.02 -0.72 3.99 3.57 -1.24 -2.96 116.94 120.58 3h6f h PHE 81 Ca 0.21 -0.00 0.06 0.00 3.53 0.00 0.00 57.97 61.77 3h6f h PHE 81 Cb 0.38 0.01 -0.06 0.00 2.79 0.00 0.00 35.95 39.07 3h6f h PHE 81 CO 0.03 0.54 0.42 0.00 -2.23 0.00 0.00 178.31 177.07 3h6f h ALA 82 N 0.35 0.97 -0.13 2.41 0.00 -1.06 -1.53 119.26 120.28 3h6f h ALA 82 Ca -0.00 0.01 -0.13 0.00 0.00 0.00 0.00 54.91 54.78 3h6f h ALA 82 Cb 0.58 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 3h6f h ALA 82 CO 0.00 0.12 -0.49 -0.44 0.00 0.00 0.00 179.25 178.44 3h6f h ASP 83 N 0.77 0.36 -0.27 0.00 3.32 -1.35 -1.66 116.42 117.60 3h6f h ASP 83 Ca 0.32 -0.18 -0.13 0.00 0.02 0.00 0.00 57.03 57.06 3h6f h ASP 83 Cb 0.17 -0.10 -0.00 0.00 0.22 0.00 0.00 39.33 39.62 3h6f h ASP 83 CO -0.18 0.80 -0.35 0.74 -1.72 0.00 0.00 179.24 178.54 3h6f h THR 84 N 0.27 1.30 -0.31 0.35 2.02 -1.32 -2.46 112.91 112.76 3h6f h THR 84 Ca 0.01 -1.53 -0.06 0.00 0.77 0.00 0.00 66.41 65.60 3h6f h THR 84 Cb 0.97 1.64 -0.01 0.00 -1.74 0.00 0.00 68.15 69.01 3h6f h THR 84 CO 0.08 0.49 -0.06 0.03 0.37 0.00 0.00 175.52 176.43 3h6f h ARG 85 N 0.46 0.58 0.00 6.66 2.47 -1.20 -0.27 114.38 123.07 3h6f h ARG 85 Ca 0.03 -0.22 -0.05 0.00 -1.26 0.00 0.00 59.98 58.49 3h6f h ARG 85 Cb 0.93 -0.04 -0.01 0.00 -1.65 0.00 0.00 29.97 29.21 3h6f h ARG 85 CO 0.08 0.76 -0.24 0.78 0.56 0.00 0.00 179.97 181.92 3h6f h GLY 86 N 0.35 0.00 1.10 0.04 0.00 -1.32 -0.24 103.07 103.01 3h6f h GLY 86 Ca 0.08 0.00 -0.31 0.00 0.00 0.00 0.00 47.33 47.10 3h6f h GLY 86 CO 0.03 0.00 -1.37 -1.82 0.00 0.00 0.00 176.54 173.38 3h6f h TYR 87 N 0.00 0.87 0.00 5.60 3.20 -1.23 -3.22 116.97 122.19 3h6f h TYR 87 Ca -0.00 -0.64 -0.09 0.00 3.14 0.00 0.00 58.73 61.14 3h6f h TYR 87 Cb 0.42 -0.03 -0.01 0.00 1.54 0.00 0.00 36.73 38.64 3h6f h TYR 87 CO 0.00 1.53 -0.41 0.00 -1.64 0.00 0.00 178.16 177.63 3h6f h ALA 88 N 0.13 0.87 -3.00 1.82 0.00 -0.78 -3.44 119.26 114.85 3h6f h ALA 88 Ca -0.24 -0.38 0.00 0.00 0.00 0.00 0.00 54.91 54.29 3h6f h ALA 88 Cb 2.05 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.78 3h6f h ALA 88 CO 0.24 0.52 0.00 0.66 0.00 0.00 0.00 179.25 180.67 3h6f n TYR 89 N -3.40 0.00 -4.02 0.00 4.01 -0.12 -5.08 117.16 108.55 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 0.59 0.00 -0.08 0.00 -0.31 0.00 0.00 39.34 39.54 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 0.13 0.52 7.72 1.47 -1.22 -4.97 116.67 121.32 3h6f s ASP 90 Ca 0.00 -0.98 0.26 0.00 1.18 0.00 0.00 52.55 53.01 3h6f s ASP 90 Cb 0.00 0.39 1.41 0.00 -0.34 0.00 0.00 42.92 44.38 3h6f s ASP 90 CO 0.00 -0.84 2.07 0.03 0.68 0.00 0.00 175.17 177.12 3h6f h ARG 91 N 2.65 0.00 0.00 2.11 3.08 -1.90 -2.39 114.38 117.93 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 0.52 0.12 0.00 -2.13 -1.07 0.00 0.00 179.97 177.41 3h6f n ARG 92 N -3.76 0.09 0.08 0.04 0.63 -1.26 -3.15 116.66 109.32 3h6f n ARG 92 Ca -0.02 0.16 -0.01 0.00 -0.92 0.00 0.00 57.85 57.06 3h6f n ARG 92 Cb 0.23 -1.62 0.26 0.00 0.45 0.00 0.00 32.46 31.78 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 0.31 -3.32 6.15 3.58 -1.79 -3.40 116.42 117.95 3h6f h ASP 93 Ca 0.00 -0.10 -0.56 0.00 0.42 0.00 0.00 57.03 56.79 3h6f h ASP 93 Cb 0.48 -0.08 -0.07 0.00 1.72 0.00 0.00 39.33 41.38 3h6f h ASP 93 CO 0.00 0.60 0.99 -0.69 -2.88 0.00 0.00 179.24 177.26 3h6f s VAL 94 N -4.39 4.03 0.38 2.25 1.01 -1.19 -4.92 120.40 117.58 3h6f s VAL 94 Ca -0.05 0.98 0.07 0.00 0.00 0.00 0.00 61.98 62.98 3h6f s VAL 94 Cb 0.14 -4.61 -0.07 0.00 0.00 0.00 0.00 36.38 31.84 3h6f s VAL 94 CO 0.77 -1.17 -0.02 0.42 0.00 0.00 0.00 175.10 175.10 3h6f s THR 95 N 4.98 1.98 0.22 3.92 -4.23 -1.26 -4.93 115.64 116.31 3h6f s THR 95 Ca 0.47 -2.06 -0.05 0.00 -1.18 0.00 0.00 61.69 58.87 3h6f s THR 95 Cb -0.08 -2.87 0.06 0.00 1.34 0.00 0.00 72.50 70.96 3h6f s THR 95 CO 0.28 -0.07 1.67 1.23 -0.54 0.00 0.00 174.62 177.19 3h6f h GLY 96 N 1.89 0.94 1.02 3.99 0.00 -1.94 -2.51 103.07 106.46 3h6f h GLY 96 Ca -0.43 -0.72 -0.01 0.00 0.00 0.00 0.00 47.33 46.17 3h6f h GLY 96 CO 0.77 0.66 0.56 -0.09 0.00 0.00 0.00 176.54 178.44 3h6f h ARG 97 N 0.78 1.27 -0.17 4.80 2.43 -1.96 -0.76 114.38 120.77 3h6f h ARG 97 Ca 0.13 -0.12 -0.03 0.00 -0.81 0.00 0.00 59.98 59.15 3h6f h ARG 97 Cb 0.61 -0.27 -0.01 0.00 -0.42 0.00 0.00 29.97 29.89 3h6f h ARG 97 CO 0.04 0.89 -0.02 0.37 -1.51 0.00 0.00 179.97 179.74 3h6f h GLN 98 N 1.29 0.31 -0.26 0.20 4.15 -1.85 -1.81 115.11 117.14 3h6f h GLN 98 Ca 0.33 -0.11 -0.11 0.00 0.77 0.00 0.00 58.65 59.54 3h6f h GLN 98 Cb -0.05 -0.02 -0.01 0.00 0.21 0.00 0.00 27.48 27.60 3h6f h GLN 98 CO -0.06 0.55 -0.31 -0.07 -1.93 0.00 0.00 178.83 177.01 3h6f h LEU 99 N 0.05 0.56 -0.55 -2.39 3.38 -1.25 -2.29 115.31 112.81 3h6f h LEU 99 Ca 0.05 -0.21 -0.10 0.00 0.09 0.00 0.00 57.88 57.70 3h6f h LEU 99 Cb 0.42 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 41.00 3h6f h LEU 99 CO 0.01 0.83 -0.06 0.00 0.09 0.00 0.00 178.44 179.32 3h6f h ALA 100 N 1.20 0.75 -0.74 1.53 0.00 -1.12 -1.18 119.26 119.71 3h6f h ALA 100 Ca 0.06 -0.33 -0.06 0.00 0.00 0.00 0.00 54.91 54.58 3h6f h ALA 100 Cb 0.77 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 18.32 3h6f h ALA 100 CO 0.06 0.63 0.24 -0.97 0.00 0.00 0.00 179.25 179.21 3h6f h ASN 101 N 0.90 1.06 -0.15 0.00 -0.73 -1.16 -1.07 115.58 114.42 3h6f h ASN 101 Ca 0.15 -0.19 -0.16 0.00 1.87 0.00 0.00 56.30 57.97 3h6f h ASN 101 Cb 0.62 -0.28 -0.01 0.00 0.27 0.00 0.00 38.32 38.93 3h6f h ASN 101 CO 0.04 0.98 -0.48 0.58 -0.37 0.00 0.00 177.43 178.18 3h6f h VAL 102 N 1.09 1.29 -0.17 2.57 2.07 -1.14 -1.70 116.25 120.27 3h6f h VAL 102 Ca 0.24 -1.68 -0.13 0.00 0.82 0.00 0.00 66.70 65.95 3h6f h VAL 102 Cb 0.29 1.60 -0.01 0.00 -1.52 0.00 0.00 31.29 31.65 3h6f h VAL 102 CO -0.01 0.54 -0.46 1.88 0.02 0.00 0.00 177.57 179.54 3h6f h TYR 103 N 0.57 0.51 -0.58 1.57 0.05 -0.96 -1.53 116.97 116.60 3h6f h TYR 103 Ca 0.03 -0.16 -0.11 0.00 0.05 0.00 0.00 58.73 58.54 3h6f h TYR 103 Cb 1.04 -0.11 -0.02 0.00 1.01 0.00 0.00 36.73 38.65 3h6f h TYR 103 CO 0.05 0.81 -0.05 0.00 -1.05 0.00 0.00 178.16 177.93 3h6f h ALA 104 N 1.16 0.81 -0.39 3.88 0.00 -1.03 0.11 119.26 123.81 3h6f h ALA 104 Ca 0.02 -0.33 -0.08 0.00 0.00 0.00 0.00 54.91 54.53 3h6f h ALA 104 Cb 0.94 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.51 3h6f h ALA 104 CO 0.08 0.67 -0.05 0.37 0.00 0.00 0.00 179.25 180.32 3h6f h GLN 105 N 0.96 0.72 0.05 0.00 5.75 -1.18 -1.50 115.11 119.90 3h6f h GLN 105 Ca 0.16 -0.26 -0.00 0.00 -0.15 0.00 0.00 58.65 58.40 3h6f h GLN 105 Cb 0.61 -0.05 0.00 0.00 1.07 0.00 0.00 27.48 29.11 3h6f h GLN 105 CO 0.04 0.84 -0.02 1.15 -2.65 0.00 0.00 178.83 178.19 3h6f h THR 106 N 0.53 1.22 -0.42 2.39 2.02 -1.00 -2.37 112.91 115.29 3h6f h THR 106 Ca 0.10 -0.91 -0.05 0.00 0.77 0.00 0.00 66.41 66.32 3h6f h THR 106 Cb 0.55 1.82 -0.02 0.00 -1.74 0.00 0.00 68.15 68.76 3h6f h THR 106 CO 0.03 0.23 0.04 -0.07 0.37 0.00 0.00 175.52 176.12 3h6f h LEU 107 N -0.47 0.61 -0.91 2.58 3.38 -1.01 -1.42 115.31 118.07 3h6f h LEU 107 Ca -0.01 -0.12 -0.09 0.00 0.09 0.00 0.00 57.88 57.76 3h6f h LEU 107 Cb 0.42 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.99 3h6f h LEU 107 CO 0.01 0.66 -0.13 1.23 0.09 0.00 0.00 178.44 180.30 3h6f h GLY 108 N 0.90 0.71 1.47 0.83 0.00 -1.25 -0.45 103.07 105.27 3h6f h GLY 108 Ca 0.13 -0.53 -0.20 0.00 0.00 0.00 0.00 47.33 46.74 3h6f h GLY 108 CO 0.01 0.49 -0.74 -0.84 0.00 0.00 0.00 176.54 175.45 3h6f h THR 109 N 0.60 1.35 -0.22 4.70 2.02 -0.99 -2.90 112.91 117.47 3h6f h THR 109 Ca 0.10 -2.09 -0.05 0.00 0.77 0.00 0.00 66.41 65.15 3h6f h THR 109 Cb 0.57 2.07 -0.01 0.00 -1.74 0.00 0.00 68.15 69.04 3h6f h THR 109 CO 0.04 0.64 -0.04 0.40 0.37 0.00 0.00 175.52 176.92 3h6f h ILE 110 N 0.36 1.28 -0.30 3.11 2.04 -0.92 0.27 117.51 123.35 3h6f h ILE 110 Ca -0.04 -1.02 0.05 0.00 1.00 0.00 0.00 64.86 64.86 3h6f h ILE 110 Cb 1.33 1.50 -0.01 0.00 -0.74 0.00 0.00 36.82 38.89 3h6f h ILE 110 CO 0.14 0.31 0.21 0.15 0.00 0.00 0.00 178.15 178.95 3h6f h PHE 111 N 0.16 0.17 0.00 1.37 3.57 -1.11 -1.16 116.94 119.94 3h6f h PHE 111 Ca 0.06 0.00 -0.18 0.00 3.53 0.00 0.00 57.97 61.38 3h6f h PHE 111 Cb 0.49 -0.06 -0.03 0.00 2.79 0.00 0.00 35.95 39.15 3h6f h PHE 111 CO 0.05 0.09 -1.17 2.41 -2.23 0.00 0.00 178.31 177.46 3h6f n THR 112 N -4.48 1.50 0.06 4.41 -1.04 -1.10 -4.76 114.28 108.87 3h6f n THR 112 Ca 0.03 0.01 -0.23 0.00 -2.04 0.00 0.00 64.05 61.83 3h6f n THR 112 Cb 0.25 -2.13 -0.15 0.00 -1.82 0.00 0.00 70.33 66.48 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 0.36 -7.04 -2.82 3.07 -0.42 -3.47 114.58 103.26 3h6f h GLU 113 Ca -0.28 -0.61 -0.46 0.00 -0.50 0.00 0.00 59.36 57.51 3h6f h GLU 113 Cb 1.10 0.23 0.00 0.00 -0.84 0.00 0.00 28.75 29.25 3h6f h GLU 113 CO -0.17 1.29 0.37 -0.65 -1.40 0.00 0.00 179.01 178.45 3h6f s GLN 114 N -2.55 4.08 0.10 2.33 -0.21 -0.44 -5.00 119.66 117.97 3h6f s GLN 114 Ca -0.17 1.27 -0.27 0.00 0.02 0.00 0.00 55.36 56.22 3h6f s GLN 114 Cb 0.05 -2.23 -0.12 0.00 1.00 0.00 0.00 33.01 31.71 3h6f s GLN 114 CO 0.83 -0.18 1.66 0.00 -2.12 0.00 0.00 175.29 175.49 3h6f h ALA 115 N 1.93 -0.40 -3.04 6.09 0.00 -1.91 -3.41 119.26 118.52 3h6f h ALA 115 Ca -0.49 -0.06 -0.65 0.00 0.00 0.00 0.00 54.91 53.71 3h6f h ALA 115 Cb 1.20 0.29 -0.25 0.00 0.00 0.00 0.00 17.79 19.03 3h6f h ALA 115 CO 0.61 -0.75 -0.67 0.21 0.00 0.00 0.00 179.25 178.64 3h6f s LYS 116 N -6.10 3.54 0.72 0.00 2.20 -1.26 -5.10 119.74 113.74 3h6f s LYS 116 Ca -0.15 -0.55 -0.13 0.00 -0.36 0.00 0.00 55.97 54.78 3h6f s LYS 116 Cb 0.07 -3.11 0.03 0.00 -1.51 0.00 0.00 37.83 33.31 3h6f s LYS 116 CO 0.65 -0.11 1.11 -1.25 -0.36 0.00 0.00 175.35 175.39 3h6f s PRO 117 N 1.31 2.46 -0.04 4.03 0.04 -1.26 -4.94 135.00 136.59 3h6f s PRO 117 Ca 0.04 1.33 -0.30 0.00 0.04 0.00 0.00 61.00 62.11 3h6f s PRO 117 Cb -0.15 -1.91 -0.04 0.00 0.04 0.00 0.00 34.50 32.44 3h6f s PRO 117 CO 0.01 -1.51 1.39 0.71 0.04 0.00 0.00 177.00 177.64 3h6f s TYR 118 N -2.56 2.76 -1.50 0.56 1.51 -1.26 -4.87 117.35 111.99 3h6f s TYR 118 Ca 0.65 0.81 -0.10 0.00 -1.01 0.00 0.00 57.07 57.41 3h6f s TYR 118 Cb -0.20 -3.64 0.01 0.00 -0.11 0.00 0.00 41.96 38.01 3h6f s TYR 118 CO 0.48 -2.39 2.56 0.39 -1.11 0.00 0.00 175.55 175.48 3h6f n GLU 119 N 5.83 3.60 -4.12 -0.62 1.02 -1.26 -4.70 120.64 120.40 3h6f n GLU 119 Ca 0.14 -2.64 -0.09 0.00 -0.02 0.00 0.00 57.16 54.55 3h6f n GLU 119 Cb 0.44 -2.92 -0.10 0.00 -0.02 0.00 0.00 31.44 28.84 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 1.75 0.43 -0.03 2.62 -7.23 -1.26 -1.37 120.40 115.30 3h6f s VAL 120 Ca 0.58 -1.82 -0.01 0.00 -1.81 0.00 0.00 61.98 58.92 3h6f s VAL 120 Cb 0.16 -1.53 0.03 0.00 0.56 0.00 0.00 36.38 35.61 3h6f s VAL 120 CO -0.07 -0.92 0.04 -0.70 -0.31 0.00 0.00 175.10 173.15 3h6f s GLU 121 N -3.75 -0.05 0.19 4.82 2.12 -0.30 -3.26 118.70 118.47 3h6f s GLU 121 Ca 0.08 0.28 0.09 0.00 0.36 0.00 0.00 54.97 55.78 3h6f s GLU 121 Cb 0.06 -0.39 -0.04 0.00 0.26 0.00 0.00 34.13 34.02 3h6f s GLU 121 CO -0.07 -0.25 -0.10 -0.51 -0.54 0.00 0.00 175.26 173.79 3h6f s LEU 122 N 1.63 2.96 -0.06 2.70 1.43 -0.21 -1.37 118.68 125.76 3h6f s LEU 122 Ca -0.02 -0.61 -0.01 0.00 -1.03 0.00 0.00 54.13 52.46 3h6f s LEU 122 Cb -0.13 -1.63 0.03 0.00 0.03 0.00 0.00 46.19 44.50 3h6f s LEU 122 CO -0.03 0.09 -0.01 0.00 0.23 0.00 0.00 176.35 176.63 3h6f s VAL 124 N 1.69 3.34 0.05 0.00 1.01 -0.75 -1.35 120.40 124.38 3h6f s VAL 124 Ca 0.01 -0.53 0.08 0.00 0.00 0.00 0.00 61.98 61.54 3h6f s VAL 124 Cb -0.13 -2.48 -0.03 0.00 0.00 0.00 0.00 36.38 33.75 3h6f s VAL 124 CO -0.04 0.46 -0.23 0.00 0.00 0.00 0.00 175.10 175.29 3h6f s ALA 125 N 1.00 1.99 -0.02 5.51 0.00 -0.69 -0.68 121.76 128.88 3h6f s ALA 125 Ca -0.00 -1.17 0.02 0.00 0.00 0.00 0.00 51.96 50.80 3h6f s ALA 125 Cb -0.15 -0.39 0.01 0.00 0.00 0.00 0.00 23.12 22.59 3h6f s ALA 125 CO -0.00 0.46 -0.06 -2.00 0.00 0.00 0.00 175.76 174.16 3h6f s GLU 126 N -1.28 0.67 0.44 0.00 2.12 -0.43 -0.49 118.70 119.73 3h6f s GLU 126 Ca 0.10 -0.18 0.07 0.00 0.36 0.00 0.00 54.97 55.32 3h6f s GLU 126 Cb -0.09 -0.66 -0.03 0.00 0.26 0.00 0.00 34.13 33.61 3h6f s GLU 126 CO 0.02 0.04 0.27 0.14 -0.54 0.00 0.00 175.26 175.20 3h6f s VAL 127 N 0.32 2.23 0.74 3.70 -7.23 -0.90 -1.68 120.40 117.59 3h6f s VAL 127 Ca -0.04 -1.57 -0.11 0.00 -1.81 0.00 0.00 61.98 58.44 3h6f s VAL 127 Cb -0.08 -2.81 0.04 0.00 0.56 0.00 0.00 36.38 34.09 3h6f s VAL 127 CO -0.00 0.00 1.09 0.00 -0.31 0.00 0.00 175.10 175.88 3h6f s ALA 128 N -2.61 2.38 0.68 1.32 0.00 -1.26 -4.87 121.76 117.40 3h6f s ALA 128 Ca 0.40 0.28 -0.11 0.00 0.00 0.00 0.00 51.96 52.53 3h6f s ALA 128 Cb 0.01 -3.26 0.00 0.00 0.00 0.00 0.00 23.12 19.87 3h6f s ALA 128 CO 0.23 -1.57 1.06 -1.01 0.00 0.00 0.00 175.76 174.47 3h6f s HIS 129 N -2.84 3.24 0.10 0.00 3.76 -1.26 -4.81 115.29 113.48 3h6f s HIS 129 Ca 0.61 1.34 -0.34 0.00 -0.15 0.00 0.00 55.06 56.52 3h6f s HIS 129 Cb -0.17 -2.87 -0.14 0.00 1.11 0.00 0.00 32.58 30.52 3h6f s HIS 129 CO 0.53 -1.13 1.61 0.98 -0.85 0.00 0.00 174.74 175.88 3h6f n TYR 130 N -3.05 2.19 -1.03 1.40 9.36 -1.26 -2.02 117.16 122.76 3h6f n TYR 130 Ca 0.07 0.27 -0.01 0.00 3.32 0.00 0.00 57.90 61.55 3h6f n TYR 130 Cb 0.54 -2.54 -0.00 0.00 -0.63 0.00 0.00 39.34 36.71 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 3.50 0.47 3.63 2.98 0.00 -1.26 -5.03 105.19 109.47 3h6f n GLY 131 Ca 0.18 -0.21 -0.28 0.00 0.00 0.00 0.00 46.02 45.71 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 -0.84 2.28 -0.34 1.61 2.02 -0.86 -5.11 118.70 117.47 3h6f s GLU 132 Ca 0.00 -1.08 -0.09 0.00 0.02 0.00 0.00 54.97 53.82 3h6f s GLU 132 Cb 0.00 -2.33 0.02 0.00 0.10 0.00 0.00 34.13 31.92 3h6f s GLU 132 CO 0.00 0.48 0.16 0.99 0.02 0.00 0.00 175.26 176.90 3h6f s THR 133 N -1.53 4.34 -0.27 3.63 2.01 -1.26 -4.74 115.64 117.81 3h6f s THR 133 Ca 0.25 -0.80 -0.19 0.00 0.31 0.00 0.00 61.69 61.26 3h6f s THR 133 Cb -0.10 -3.36 0.08 0.00 0.01 0.00 0.00 72.50 69.13 3h6f s THR 133 CO 0.17 -0.12 0.69 -0.75 -0.69 0.00 0.00 174.62 173.91 3h6f s LYS 134 N 1.53 0.74 0.11 4.92 2.20 -1.26 -5.10 119.74 122.88 3h6f s LYS 134 Ca 0.02 1.13 -0.31 0.00 -0.36 0.00 0.00 55.97 56.46 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 0.05 -0.13 1.30 0.50 -0.36 0.00 0.00 175.35 176.71 3h6f s ARG 135 N 1.22 4.38 0.33 4.03 6.06 -1.26 -4.44 118.95 129.27 3h6f s ARG 135 Ca -0.07 1.95 -0.28 0.00 -2.50 0.00 0.00 55.73 54.83 3h6f s ARG 135 Cb -0.05 -3.27 -0.12 0.00 0.06 0.00 0.00 34.95 31.56 3h6f s ARG 135 CO -0.13 -0.32 1.32 -2.30 -2.50 0.00 0.00 175.30 171.37 3h6f n PRO 136 N 3.65 2.17 -4.48 5.12 -0.02 -1.26 -4.89 135.00 135.28 3h6f n PRO 136 Ca 0.09 0.76 -0.34 0.00 -2.02 0.00 0.00 63.50 62.00 3h6f n PRO 136 Cb 0.44 -2.36 -0.12 0.00 -0.02 0.00 0.00 33.50 31.44 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 -1.75 3.31 -0.06 -0.52 2.02 -0.67 -4.98 118.70 116.04 3h6f s GLU 137 Ca 0.56 -0.52 0.03 0.00 0.02 0.00 0.00 54.97 55.06 3h6f s GLU 137 Cb -0.57 -2.79 0.01 0.00 0.10 0.00 0.00 34.13 30.88 3h6f s GLU 137 CO 0.61 0.42 -0.14 -0.51 0.02 0.00 0.00 175.26 175.66 3h6f s LEU 138 N -0.13 1.73 -0.03 1.80 1.02 -1.24 -1.31 118.68 120.52 3h6f s LEU 138 Ca 0.02 -0.32 0.06 0.00 0.02 0.00 0.00 54.13 53.92 3h6f s LEU 138 Cb -0.13 -0.88 -0.01 0.00 0.02 0.00 0.00 46.19 45.19 3h6f s LEU 138 CO 0.03 0.06 -0.23 -0.31 0.02 0.00 0.00 176.35 175.92 3h6f s TYR 139 N 0.51 2.11 -0.20 0.29 2.02 0.14 -2.06 117.35 120.16 3h6f s TYR 139 Ca -0.13 -0.48 -0.04 0.00 -0.37 0.00 0.00 57.07 56.05 3h6f s TYR 139 Cb -0.15 -1.37 -0.02 0.00 -0.40 0.00 0.00 41.96 40.02 3h6f s TYR 139 CO 0.04 -0.10 -0.03 0.50 -1.57 0.00 0.00 175.55 174.40 3h6f s ARG 140 N -0.38 3.51 -0.14 -0.62 3.52 -0.62 -1.82 118.95 122.41 3h6f s ARG 140 Ca 0.04 -0.57 0.01 0.00 -0.13 0.00 0.00 55.73 55.09 3h6f s ARG 140 Cb -0.10 -3.01 0.00 0.00 -1.56 0.00 0.00 34.95 30.27 3h6f s ARG 140 CO 0.01 -0.04 -0.18 0.42 -0.81 0.00 0.00 175.30 174.69 3h6f s ILE 141 N 1.10 2.41 0.37 4.11 1.09 -0.24 -1.42 121.20 128.63 3h6f s ILE 141 Ca 0.02 -0.86 0.07 0.00 -1.10 0.00 0.00 60.65 58.78 3h6f s ILE 141 Cb -0.15 -1.99 -0.02 0.00 -1.06 0.00 0.00 42.46 39.25 3h6f s ILE 141 CO 0.00 0.53 0.38 0.42 -0.10 0.00 0.00 174.94 176.17 3h6f s THR 142 N 0.73 3.23 0.58 2.92 -4.23 -0.54 -1.04 115.64 117.29 3h6f s THR 142 Ca -0.08 -1.27 0.34 0.00 -1.18 0.00 0.00 61.69 59.49 3h6f s THR 142 Cb -0.16 -3.12 0.49 0.00 1.34 0.00 0.00 72.50 71.05 3h6f s THR 142 CO 0.01 -0.09 1.57 0.10 -0.54 0.00 0.00 174.62 175.66 3h6f h TYR 143 N 1.06 0.00 -0.01 3.99 -0.00 -1.83 0.98 116.97 121.16 3h6f h TYR 143 Ca -0.43 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.30 3h6f h TYR 143 Cb 1.26 0.00 0.00 0.00 0.00 0.00 0.00 36.73 37.99 3h6f h TYR 143 CO 0.50 0.00 -0.49 -0.40 -0.00 0.00 0.00 178.16 177.77 3h6f n ASP 144 N -3.63 1.70 0.00 0.10 3.85 -1.26 -4.56 116.55 112.74 3h6f n ASP 144 Ca 0.25 -1.31 0.00 0.00 -0.71 0.00 0.00 54.79 53.01 3h6f n ASP 144 Cb 1.40 0.46 0.00 0.00 -1.35 0.00 0.00 41.12 41.63 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 1.41 1.00 3.73 6.12 0.00 0.34 -4.12 105.19 113.68 3h6f n GLY 145 Ca 0.09 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.70 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 7.49 -0.09 1.61 0.01 -1.25 -4.75 113.70 114.72 3h6f s SER 146 Ca 0.00 1.87 0.04 0.00 1.31 0.00 0.00 55.95 59.17 3h6f s SER 146 Cb 0.00 -2.60 -0.00 0.00 0.21 0.00 0.00 66.02 63.63 3h6f s SER 146 CO 0.00 -0.05 -0.23 -0.51 0.41 0.00 0.00 173.24 172.86 3h6f s ILE 147 N -0.27 2.00 -0.06 1.44 2.07 -1.26 -1.47 121.20 123.65 3h6f s ILE 147 Ca 0.46 -0.99 0.03 0.00 -1.41 0.00 0.00 60.65 58.74 3h6f s ILE 147 Cb -0.25 -1.73 0.01 0.00 0.13 0.00 0.00 42.46 40.62 3h6f s ILE 147 CO 0.31 0.55 -0.13 0.00 -1.91 0.00 0.00 174.94 173.76 3h6f s ALA 148 N 0.32 1.26 -0.58 1.50 0.00 -0.51 -4.99 121.76 118.76 3h6f s ALA 148 Ca -0.17 -0.45 -0.22 0.00 0.00 0.00 0.00 51.96 51.12 3h6f s ALA 148 Cb -0.17 -0.53 0.06 0.00 0.00 0.00 0.00 23.12 22.48 3h6f s ALA 148 CO 0.08 0.15 0.84 0.34 0.00 0.00 0.00 175.76 177.17 3h6f s ASP 149 N 0.50 6.24 -0.20 0.00 -1.08 -1.26 -1.59 116.67 119.28 3h6f s ASP 149 Ca -0.11 -0.81 -0.16 0.00 -0.52 0.00 0.00 52.55 50.95 3h6f s ASP 149 Cb -0.14 -2.38 -0.04 0.00 -1.46 0.00 0.00 42.92 38.90 3h6f s ASP 149 CO 0.03 -1.20 0.41 -1.61 0.52 0.00 0.00 175.17 173.32 3h6f s GLU 150 N 3.52 4.18 0.16 4.34 0.41 -0.87 -5.00 118.70 125.44 3h6f s GLU 150 Ca 0.22 0.22 0.09 0.00 -0.41 0.00 0.00 54.97 55.09 3h6f s GLU 150 Cb -0.17 -3.53 -0.13 0.00 -1.78 0.00 0.00 34.13 28.52 3h6f s GLU 150 CO 0.13 -0.03 1.33 -1.35 -0.49 0.00 0.00 175.26 174.84 3h6f h PRO 151 N 7.34 0.00 0.00 0.39 0.11 -1.94 -3.29 132.00 134.61 3h6f h PRO 151 Ca -0.36 0.00 -0.16 0.00 0.11 0.00 0.00 66.00 65.59 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 0.72 0.87 -1.53 0.72 -0.21 0.00 0.00 178.00 178.57 3h6f n HIS 152 N -3.33 0.00 -3.71 0.65 8.25 -1.26 -4.90 115.22 110.92 3h6f n HIS 152 Ca 0.00 0.00 -0.10 0.00 -0.26 0.00 0.00 57.72 57.37 3h6f n HIS 152 Cb 0.89 -0.35 -0.05 0.00 1.12 0.00 0.00 29.99 31.59 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 -2.18 -0.08 -0.02 4.41 -0.12 -1.26 -2.30 117.98 116.43 3h6f s PHE 153 Ca -0.14 -0.28 0.02 0.00 -0.05 0.00 0.00 56.93 56.48 3h6f s PHE 153 Cb 0.05 0.15 0.01 0.00 -0.63 0.00 0.00 43.02 42.60 3h6f s PHE 153 CO 0.17 -0.65 -0.07 0.08 -0.05 0.00 0.00 175.22 174.70 3h6f s VAL 154 N -3.83 0.61 -0.10 -2.49 1.01 0.08 -4.88 120.40 110.81 3h6f s VAL 154 Ca 0.04 -0.26 0.01 0.00 0.00 0.00 0.00 61.98 61.77 3h6f s VAL 154 Cb 0.03 -0.56 0.02 0.00 0.00 0.00 0.00 36.38 35.87 3h6f s VAL 154 CO -0.11 0.20 -0.12 -0.69 0.00 0.00 0.00 175.10 174.38 3h6f s VAL 155 N 0.28 1.28 0.04 2.92 1.01 -1.26 -1.21 120.40 123.46 3h6f s VAL 155 Ca -0.04 -0.50 0.04 0.00 0.00 0.00 0.00 61.98 61.49 3h6f s VAL 155 Cb -0.08 -1.20 -0.02 0.00 0.00 0.00 0.00 36.38 35.07 3h6f s VAL 155 CO 0.00 0.40 -0.13 -0.04 0.00 0.00 0.00 175.10 175.33 3h6f s MET 156 N 1.15 0.86 0.09 2.72 -1.94 -0.32 -4.99 119.30 116.88 3h6f s MET 156 Ca -0.04 -0.74 0.00 0.00 -1.71 0.00 0.00 55.69 53.20 3h6f s MET 156 Cb -0.14 -0.85 0.00 0.00 2.01 0.00 0.00 34.83 35.85 3h6f s MET 156 CO -0.03 0.21 0.00 0.41 -0.01 0.00 0.00 175.02 175.60 3h6f n GLY 157 N 1.88 -2.95 7.00 -0.03 0.00 -1.26 -1.18 105.19 108.65 3h6f n GLY 157 Ca -0.18 -1.25 0.00 0.00 0.00 0.00 0.00 46.02 44.58 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 -1.76 1.89 3.32 -0.02 0.00 -0.52 -4.34 105.19 103.76 3h6f n GLY 158 Ca -0.00 -0.47 -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 4.62 0.01 2.61 2.01 -1.26 -4.36 115.64 119.26 3h6f s THR 159 Ca 0.00 -1.21 -0.25 0.00 0.31 0.00 0.00 61.69 60.54 3h6f s THR 159 Cb 0.00 -3.77 -0.18 0.00 0.01 0.00 0.00 72.50 68.56 3h6f s THR 159 CO 0.00 -0.50 1.32 0.74 -0.69 0.00 0.00 174.62 175.49 3h6f h THR 160 N 5.94 1.07 -0.95 -0.82 2.02 -1.95 -3.37 112.91 114.85 3h6f h THR 160 Ca -0.25 -0.77 0.01 0.00 0.77 0.00 0.00 66.41 66.17 3h6f h THR 160 Cb 1.09 1.55 -0.05 0.00 -1.74 0.00 0.00 68.15 69.01 3h6f h THR 160 CO 0.79 0.18 0.63 -0.33 0.37 0.00 0.00 175.52 177.16 3h6f h GLU 161 N -0.52 1.25 -0.13 6.66 3.07 -1.97 -0.21 114.58 122.72 3h6f h GLU 161 Ca -0.02 -0.07 -0.07 0.00 -0.50 0.00 0.00 59.36 58.70 3h6f h GLU 161 Cb 0.42 -0.28 -0.01 0.00 -0.84 0.00 0.00 28.75 28.03 3h6f h GLU 161 CO 0.03 0.82 -0.25 -1.35 -1.40 0.00 0.00 179.01 176.86 3h6f h PRO 162 N 1.28 0.23 0.13 2.33 0.11 -1.88 -1.72 132.00 132.49 3h6f h PRO 162 Ca 0.35 -0.07 -0.28 0.00 0.11 0.00 0.00 66.00 66.11 3h6f h PRO 162 Cb -0.14 -0.02 0.01 0.00 0.11 0.00 0.00 31.00 30.95 3h6f h PRO 162 CO -0.08 0.47 -1.25 0.82 -0.21 0.00 0.00 178.00 177.75 3h6f h ILE 163 N 0.21 1.49 -0.25 4.15 2.04 -1.63 -2.78 117.51 120.75 3h6f h ILE 163 Ca 0.03 -3.05 -0.14 0.00 1.00 0.00 0.00 64.86 62.71 3h6f h ILE 163 Cb 0.56 2.95 -0.01 0.00 -0.74 0.00 0.00 36.82 39.58 3h6f h ILE 163 CO 0.04 0.89 -0.43 0.00 0.00 0.00 0.00 178.15 178.65 3h6f h ALA 164 N 0.56 0.79 0.01 1.87 0.00 -0.95 -2.54 119.26 118.99 3h6f h ALA 164 Ca -0.14 -0.45 -0.24 0.00 0.00 0.00 0.00 54.91 54.08 3h6f h ALA 164 Cb 1.98 -0.11 0.01 0.00 0.00 0.00 0.00 17.79 19.67 3h6f h ALA 164 CO 0.21 0.66 -0.99 -0.91 0.00 0.00 0.00 179.25 178.22 3h6f h ASN 165 N 0.50 0.62 1.05 0.00 2.35 -1.40 -1.52 115.58 117.18 3h6f h ASN 165 Ca 0.04 -0.51 0.00 0.00 -0.55 0.00 0.00 56.30 55.28 3h6f h ASN 165 Cb 0.95 -0.19 0.00 0.00 0.05 0.00 0.00 38.32 39.13 3h6f h ASN 165 CO 0.09 1.31 0.00 0.00 -1.65 0.00 0.00 177.43 177.18 3h6f h ALA 166 N 0.65 1.00 0.02 -0.83 0.00 -1.46 -2.95 119.26 115.68 3h6f h ALA 166 Ca -0.10 0.00 -0.35 0.00 0.00 0.00 0.00 54.91 54.46 3h6f h ALA 166 Cb 1.63 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 19.37 3h6f h ALA 166 CO 0.18 0.00 -2.17 -0.11 0.00 0.00 0.00 179.25 177.14 3h6f n LEU 167 N -2.75 1.43 0.29 0.00 7.94 -0.96 -3.31 117.00 119.64 3h6f n LEU 167 Ca 0.02 0.11 0.16 0.00 -1.11 0.00 0.00 56.01 55.18 3h6f n LEU 167 Cb 0.31 -0.23 0.87 0.00 0.53 0.00 0.00 43.42 44.91 3h6f n LEU 167 CO 0.26 0.65 1.06 0.50 -1.11 0.00 0.00 177.39 178.74 3h6f h LYS 168 N 0.01 0.00 0.00 1.96 3.64 -1.11 -2.19 116.57 118.89 3h6f h LYS 168 Ca -0.47 0.00 -0.29 0.00 -1.27 0.00 0.00 60.65 58.62 3h6f h LYS 168 Cb 2.07 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 33.84 3h6f h LYS 168 CO 0.02 0.05 -1.69 -1.91 -2.27 0.00 0.00 179.45 173.65 3h6f n GLU 169 N -3.58 0.56 -0.09 1.90 2.13 -1.15 -4.49 120.64 115.93 3h6f n GLU 169 Ca -0.02 0.43 0.01 0.00 0.66 0.00 0.00 57.16 58.24 3h6f n GLU 169 Cb 0.16 -1.63 0.05 0.00 0.27 0.00 0.00 31.44 30.29 3h6f n GLU 169 CO 0.00 0.00 0.00 -1.13 -0.41 0.00 0.00 177.13 175.59 3h6f n SER 170 N -4.38 1.14 -4.77 4.31 3.41 -1.17 -4.93 113.62 107.22 3h6f n SER 170 Ca -0.38 -2.07 -0.38 0.00 -0.26 0.00 0.00 58.87 55.78 3h6f n SER 170 Cb 0.72 -0.32 -0.05 0.00 -0.26 0.00 0.00 64.21 64.31 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 -1.51 3.49 -0.07 7.33 5.04 -0.83 -4.99 117.35 125.80 3h6f s TYR 171 Ca 0.07 1.71 0.02 0.00 -2.44 0.00 0.00 57.07 56.43 3h6f s TYR 171 Cb 0.05 -3.13 0.01 0.00 0.35 0.00 0.00 41.96 39.24 3h6f s TYR 171 CO 0.03 -0.38 -0.12 0.00 -1.34 0.00 0.00 175.55 173.75 3h6f s ALA 172 N -1.47 1.26 0.20 3.97 0.00 -1.26 -5.07 121.76 119.39 3h6f s ALA 172 Ca 0.51 -0.42 -0.07 0.00 0.00 0.00 0.00 51.96 51.99 3h6f s ALA 172 Cb -0.25 -0.59 0.14 0.00 0.00 0.00 0.00 23.12 22.42 3h6f s ALA 172 CO 0.31 0.07 1.64 0.93 0.00 0.00 0.00 175.76 178.71 3h6f h GLU 173 N 7.06 0.92 -0.47 0.00 5.08 -1.97 -3.32 114.58 121.89 3h6f h GLU 173 Ca -0.31 -0.33 -0.33 0.00 -1.00 0.00 0.00 59.36 57.39 3h6f h GLU 173 Cb 1.18 -0.06 -0.24 0.00 0.50 0.00 0.00 28.75 30.13 3h6f h GLU 173 CO 0.47 0.98 -0.54 0.09 -1.00 0.00 0.00 179.01 179.02 3h6f n ASN 174 N -4.15 3.72 -4.70 1.42 3.02 -1.26 -4.60 115.26 108.71 3h6f n ASN 174 Ca 0.01 -3.81 -0.37 0.00 -0.03 0.00 0.00 54.58 50.39 3h6f n ASN 174 Cb 0.39 -0.47 0.07 0.00 -0.61 0.00 0.00 39.78 39.16 3h6f n ASN 174 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3h6f n ALA 175 N -0.91 0.85 -1.54 5.41 0.00 -1.25 -4.16 120.51 118.90 3h6f n ALA 175 Ca 0.36 -0.03 -0.31 0.00 0.00 0.00 0.00 53.44 53.45 3h6f n ALA 175 Cb 0.87 -2.28 0.05 0.00 0.00 0.00 0.00 19.45 18.09 3h6f n ALA 175 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 3h6f s SER 176 N -1.43 5.32 0.14 0.00 1.04 -1.26 -1.54 113.70 115.98 3h6f s SER 176 Ca 0.81 1.67 -0.16 0.00 0.48 0.00 0.00 55.95 58.75 3h6f s SER 176 Cb -0.38 -2.50 0.01 0.00 0.10 0.00 0.00 66.02 63.25 3h6f s SER 176 CO 0.42 -1.48 1.74 0.25 0.98 0.00 0.00 173.24 175.15 3h6f h LEU 177 N -0.61 0.52 -0.46 2.42 5.85 -1.97 0.71 115.31 121.77 3h6f h LEU 177 Ca -0.44 -0.10 -0.05 0.00 0.84 0.00 0.00 57.88 58.12 3h6f h LEU 177 Cb 1.21 -0.13 -0.02 0.00 0.37 0.00 0.00 40.66 42.09 3h6f h LEU 177 CO 0.56 0.47 0.08 0.71 -0.34 0.00 0.00 178.44 179.92 3h6f h THR 178 N 0.53 1.25 -0.03 1.05 1.35 -1.94 0.80 112.91 115.91 3h6f h THR 178 Ca 0.14 -0.90 0.01 0.00 -0.55 0.00 0.00 66.41 65.11 3h6f h THR 178 Cb 0.08 0.95 -0.01 0.00 -1.73 0.00 0.00 68.15 67.43 3h6f h THR 178 CO -0.02 0.32 -0.03 0.44 -0.25 0.00 0.00 175.52 175.97 3h6f h ASP 179 N 0.62 -0.11 0.16 5.36 3.32 -1.83 -1.99 116.42 121.95 3h6f h ASP 179 Ca 0.14 0.02 -0.06 0.00 0.02 0.00 0.00 57.03 57.15 3h6f h ASP 179 Cb 0.38 0.05 -0.01 0.00 0.22 0.00 0.00 39.33 39.97 3h6f h ASP 179 CO 0.01 -0.05 -0.22 0.00 -1.72 0.00 0.00 179.24 177.25 3h6f h ALA 180 N 0.98 1.49 -0.13 3.45 0.00 0.61 -2.18 119.26 123.47 3h6f h ALA 180 Ca 0.03 -0.24 -0.04 0.00 0.00 0.00 0.00 54.91 54.65 3h6f h ALA 180 Cb 0.08 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 17.81 3h6f h ALA 180 CO -0.06 0.37 -0.07 1.25 0.00 0.00 0.00 179.25 180.74 3h6f h LEU 181 N 0.11 0.29 -0.97 0.00 7.12 -0.63 -2.15 115.31 119.08 3h6f h LEU 181 Ca 0.02 -0.42 -0.05 0.00 0.13 0.00 0.00 57.88 57.56 3h6f h LEU 181 Cb 0.47 -0.08 -0.03 0.00 -0.53 0.00 0.00 40.66 40.49 3h6f h LEU 181 CO 0.03 0.65 0.14 -0.09 -0.13 0.00 0.00 178.44 179.04 3h6f h ARG 182 N -0.06 0.90 -0.22 1.25 2.43 -1.19 -0.80 114.38 116.69 3h6f h ARG 182 Ca 0.03 -0.19 -0.12 0.00 -0.81 0.00 0.00 59.98 58.89 3h6f h ARG 182 Cb 0.54 -0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 29.94 3h6f h ARG 182 CO 0.02 0.80 -0.36 0.82 -1.51 0.00 0.00 179.97 179.73 3h6f h ILE 183 N 0.86 1.29 -0.08 1.20 2.04 -1.39 -2.12 117.51 119.32 3h6f h ILE 183 Ca 0.19 -1.49 -0.17 0.00 1.00 0.00 0.00 64.86 64.40 3h6f h ILE 183 Cb 0.31 1.52 0.01 0.00 -0.74 0.00 0.00 36.82 37.92 3h6f h ILE 183 CO -0.00 0.46 -0.60 0.00 0.00 0.00 0.00 178.15 178.01 3h6f h ALA 184 N 1.20 0.18 -0.34 1.87 0.00 -0.87 -2.82 119.26 118.49 3h6f h ALA 184 Ca 0.04 -0.55 -0.09 0.00 0.00 0.00 0.00 54.91 54.31 3h6f h ALA 184 Cb 0.83 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.61 3h6f h ALA 184 CO 0.07 0.43 -0.17 0.28 0.00 0.00 0.00 179.25 179.86 3h6f h VAL 185 N 0.14 1.26 -0.31 0.00 2.07 -1.14 -2.35 116.25 115.91 3h6f h VAL 185 Ca -0.05 -1.19 -0.04 0.00 0.82 0.00 0.00 66.70 66.23 3h6f h VAL 185 Cb 1.26 1.19 -0.01 0.00 -1.52 0.00 0.00 31.29 32.21 3h6f h VAL 185 CO 0.12 0.39 0.03 0.00 0.02 0.00 0.00 177.57 178.13 3h6f h ALA 186 N 1.26 0.41 0.00 1.67 0.00 -1.43 -3.03 119.26 118.14 3h6f h ALA 186 Ca 0.09 -0.21 -0.04 0.00 0.00 0.00 0.00 54.91 54.75 3h6f h ALA 186 Cb 0.61 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 3h6f h ALA 186 CO 0.04 0.13 -0.17 0.00 0.00 0.00 0.00 179.25 179.26 3h6f h ALA 187 N 0.86 0.99 -0.09 0.00 0.00 -1.42 -3.18 119.26 116.43 3h6f h ALA 187 Ca 0.09 -0.15 -0.05 0.00 0.00 0.00 0.00 54.91 54.80 3h6f h ALA 187 Cb 0.39 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.15 3h6f h ALA 187 CO 0.01 0.21 -0.12 1.25 0.00 0.00 0.00 179.25 180.60 3h6f h LEU 188 N 0.00 0.26 0.00 0.00 5.85 -1.38 -3.11 115.31 116.94 3h6f h LEU 188 Ca -0.00 -0.52 0.00 0.00 0.84 0.00 0.00 57.88 58.20 3h6f h LEU 188 Cb 0.76 -0.07 0.00 0.00 0.37 0.00 0.00 40.66 41.71 3h6f h LEU 188 CO 0.02 0.73 0.00 0.54 -0.34 0.00 0.00 178.44 179.39 3h6f n ARG 189 N -4.63 0.92 -0.14 1.25 3.00 -1.15 -2.49 116.66 113.43 3h6f n ARG 189 Ca -0.07 0.00 0.10 0.00 -0.01 0.00 0.00 57.85 57.87 3h6f n ARG 189 Cb 0.35 -1.00 0.29 0.00 0.00 0.00 0.00 32.46 32.10 3h6f n ARG 189 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 3h6f n ALA 190 N -0.50 2.47 -1.07 7.54 0.00 -1.17 -5.10 120.51 122.68 3h6f n ALA 190 Ca 0.00 -0.69 0.00 0.00 0.00 0.00 0.00 53.44 52.75 3h6f n ALA 190 Cb 0.00 -1.01 0.00 0.00 0.00 0.00 0.00 19.45 18.44 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 1.24 0.86 0.00 0.00 0.00 -1.04 -4.55 105.19 101.69 3h6f n GLY 191 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.19 3h6f n GLY 191 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3h6f n GLY 204 N 0.00 -0.05 0.13 -0.02 0.00 -1.26 -4.65 105.19 99.33 3h6f n GLY 204 Ca 0.00 -1.58 0.03 0.00 0.00 0.00 0.00 46.02 44.47 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 0.00 0.57 -0.12 1.61 2.07 -1.97 -3.20 116.25 115.22 3h6f h VAL 205 Ca 0.00 -1.91 0.00 0.00 0.82 0.00 0.00 66.70 65.61 3h6f h VAL 205 Cb 0.00 2.15 0.00 0.00 -1.52 0.00 0.00 31.29 31.92 3h6f h VAL 205 CO 0.00 0.33 0.00 0.00 0.02 0.00 0.00 177.57 177.92 3h6f n ALA 206 N -2.27 2.51 0.04 1.67 0.00 -1.26 -3.90 120.51 117.30 3h6f n ALA 206 Ca -0.02 -0.61 0.02 0.00 0.00 0.00 0.00 53.44 52.82 3h6f n ALA 206 Cb 0.74 -1.01 0.03 0.00 0.00 0.00 0.00 19.45 19.21 3h6f n ALA 206 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3h6f n SER 207 N 0.72 1.82 -4.21 0.00 3.41 -1.23 -4.53 113.62 109.61 3h6f n SER 207 Ca 0.17 -1.60 -0.13 0.00 -0.26 0.00 0.00 58.87 57.06 3h6f n SER 207 Cb 0.45 -0.04 -0.10 0.00 -0.26 0.00 0.00 64.21 64.26 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 -0.67 2.50 -0.12 1.04 1.43 -1.21 -2.26 118.68 119.39 3h6f s LEU 208 Ca 0.06 -0.97 -0.01 0.00 -1.03 0.00 0.00 54.13 52.17 3h6f s LEU 208 Cb 0.03 -0.24 0.04 0.00 0.03 0.00 0.00 46.19 46.05 3h6f s LEU 208 CO 0.05 -0.36 -0.01 -0.70 0.23 0.00 0.00 176.35 175.55 3h6f s GLU 209 N -3.60 0.93 -0.01 1.70 2.12 -0.74 -4.79 118.70 114.30 3h6f s GLU 209 Ca 0.13 -0.19 0.06 0.00 0.36 0.00 0.00 54.97 55.33 3h6f s GLU 209 Cb 0.02 -1.53 -0.02 0.00 0.26 0.00 0.00 34.13 32.87 3h6f s GLU 209 CO -0.01 -0.40 -0.19 0.08 -0.54 0.00 0.00 175.26 174.19 3h6f s VAL 210 N 1.84 1.54 -0.01 3.70 1.01 -1.26 -1.44 120.40 125.78 3h6f s VAL 210 Ca 0.03 -0.84 -0.23 0.00 0.00 0.00 0.00 61.98 60.94 3h6f s VAL 210 Cb -0.14 -1.28 0.05 0.00 0.00 0.00 0.00 36.38 35.01 3h6f s VAL 210 CO -0.07 0.43 0.52 0.00 0.00 0.00 0.00 175.10 175.98 3h6f s ALA 211 N -0.46 -1.33 0.14 5.51 0.00 -0.95 -2.02 121.76 122.64 3h6f s ALA 211 Ca 0.07 0.78 0.08 0.00 0.00 0.00 0.00 51.96 52.90 3h6f s ALA 211 Cb -0.08 0.15 -0.04 0.00 0.00 0.00 0.00 23.12 23.16 3h6f s ALA 211 CO -0.01 -0.38 -0.18 0.14 0.00 0.00 0.00 175.76 175.33 3h6f s VAL 212 N -1.67 1.69 -0.74 0.00 -7.23 -0.11 -0.78 120.40 111.56 3h6f s VAL 212 Ca -0.10 -1.75 -0.07 0.00 -1.81 0.00 0.00 61.98 58.25 3h6f s VAL 212 Cb -0.02 -1.68 0.19 0.00 0.56 0.00 0.00 36.38 35.44 3h6f s VAL 212 CO 0.04 -0.25 0.61 -0.76 -0.31 0.00 0.00 175.10 174.44 3h6f s LEU 213 N -2.36 5.89 -0.57 1.32 1.43 -0.18 -1.27 118.68 122.94 3h6f s LEU 213 Ca 0.11 -2.87 -0.28 0.00 -1.03 0.00 0.00 54.13 50.05 3h6f s LEU 213 Cb -0.07 -2.01 0.03 0.00 0.03 0.00 0.00 46.19 44.17 3h6f s LEU 213 CO 0.05 -0.43 1.23 -0.62 0.23 0.00 0.00 176.35 176.80 3h6f s ASP 214 N 1.22 6.42 0.00 2.29 2.15 0.12 -2.49 116.67 126.37 3h6f s ASP 214 Ca 0.18 0.18 0.10 0.00 0.43 0.00 0.00 52.55 53.44 3h6f s ASP 214 Cb -0.15 -2.55 0.51 0.00 -0.30 0.00 0.00 42.92 40.43 3h6f s ASP 214 CO -0.06 -1.50 1.13 0.00 -0.17 0.00 0.00 175.17 174.57 3h6f n ALA 215 N 8.57 1.69 1.16 3.66 0.00 -0.91 -2.05 120.51 132.63 3h6f n ALA 215 Ca 0.09 -0.05 0.13 0.00 0.00 0.00 0.00 53.44 53.61 3h6f n ALA 215 Cb 0.49 -1.16 0.23 0.00 0.00 0.00 0.00 19.45 19.02 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 -1.19 2.48 -4.73 0.00 2.85 -1.26 -4.48 115.26 108.92 3h6f n ASN 216 Ca 0.05 -1.82 -0.40 0.00 -0.11 0.00 0.00 54.58 52.31 3h6f n ASN 216 Cb 0.06 0.01 -0.05 0.00 1.24 0.00 0.00 39.78 41.05 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 -2.02 4.45 0.25 1.20 1.81 -0.87 -5.00 118.95 118.77 3h6f s ARG 217 Ca 0.31 0.95 -0.11 0.00 -1.72 0.00 0.00 55.73 55.16 3h6f s ARG 217 Cb 0.20 -3.41 0.36 0.00 -0.45 0.00 0.00 34.95 31.65 3h6f s ARG 217 CO 0.32 0.17 1.58 -1.35 -0.68 0.00 0.00 175.30 175.34 3h6f h PRO 218 N 6.27 -0.01 0.00 3.54 0.11 -1.90 -3.42 132.00 136.59 3h6f h PRO 218 Ca -0.42 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.69 3h6f h PRO 218 Cb 1.20 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.31 3h6f h PRO 218 CO 0.73 -0.00 0.00 -2.13 -0.21 0.00 0.00 178.00 176.39 3h6f n ARG 219 N -5.55 0.00 -2.69 1.05 0.63 -1.26 -4.39 116.66 104.46 3h6f n ARG 219 Ca 0.12 0.00 -0.42 0.00 -0.92 0.00 0.00 57.85 56.63 3h6f n ARG 219 Cb 0.43 -0.10 -0.03 0.00 0.45 0.00 0.00 32.46 33.21 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 -1.47 3.24 0.28 -0.14 0.52 -1.26 -4.32 118.95 115.80 3h6f s ARG 220 Ca 0.00 -0.33 0.09 0.00 -0.52 0.00 0.00 55.73 54.96 3h6f s ARG 220 Cb 0.00 -4.15 0.40 0.00 0.52 0.00 0.00 34.95 31.72 3h6f s ARG 220 CO 0.00 -1.87 1.65 0.00 0.02 0.00 0.00 175.30 175.09 3h6f h ALA 221 N 9.71 1.03 -2.57 2.13 0.00 -1.39 -3.46 119.26 124.71 3h6f h ALA 221 Ca -0.27 -0.50 -0.53 0.00 0.00 0.00 0.00 54.91 53.61 3h6f h ALA 221 Cb 1.06 -0.09 0.03 0.00 0.00 0.00 0.00 17.79 18.80 3h6f h ALA 221 CO 1.21 0.68 0.83 0.12 0.00 0.00 0.00 179.25 182.09 3h6f s PHE 222 N -3.83 3.09 -0.12 0.00 5.36 -1.26 -0.70 117.98 120.52 3h6f s PHE 222 Ca -0.03 0.74 -0.07 0.00 -0.96 0.00 0.00 56.93 56.61 3h6f s PHE 222 Cb 0.13 -3.83 0.05 0.00 -0.34 0.00 0.00 43.02 39.02 3h6f s PHE 222 CO 0.77 -3.03 0.30 0.50 -1.46 0.00 0.00 175.22 172.29 3h6f s ARG 223 N 1.25 0.28 -0.02 10.12 3.52 -0.40 -4.96 118.95 128.73 3h6f s ARG 223 Ca 0.68 0.57 -0.16 0.00 -0.13 0.00 0.00 55.73 56.69 3h6f s ARG 223 Cb -0.41 -0.04 -0.05 0.00 -1.56 0.00 0.00 34.95 32.89 3h6f s ARG 223 CO 0.31 -0.14 0.42 1.03 -0.81 0.00 0.00 175.30 176.12 3h6f s ARG 224 N 1.06 4.03 -0.47 5.12 0.52 -1.26 -0.93 118.95 127.01 3h6f s ARG 224 Ca -0.07 0.42 -0.05 0.00 -0.52 0.00 0.00 55.73 55.51 3h6f s ARG 224 Cb -0.08 -3.27 0.12 0.00 0.52 0.00 0.00 34.95 32.24 3h6f s ARG 224 CO -0.08 0.57 0.29 0.42 0.02 0.00 0.00 175.30 176.53 3h6f s ILE 225 N -0.70 3.67 0.29 1.52 1.01 -0.86 -4.98 121.20 121.16 3h6f s ILE 225 Ca 0.24 -2.12 0.10 0.00 0.00 0.00 0.00 60.65 58.87 3h6f s ILE 225 Cb -0.16 -3.46 -0.06 0.00 0.01 0.00 0.00 42.46 38.79 3h6f s ILE 225 CO 0.13 -0.75 -0.14 0.42 0.00 0.00 0.00 174.94 174.59 3h6f s THR 226 N 1.01 2.22 0.00 2.92 -4.23 -1.26 -4.31 115.64 111.99 3h6f s THR 226 Ca 0.09 -2.29 0.00 0.00 -1.18 0.00 0.00 61.69 58.31 3h6f s THR 226 Cb -0.23 -2.40 0.00 0.00 1.34 0.00 0.00 72.50 71.21 3h6f s THR 226 CO -0.03 -0.35 0.00 0.61 -0.54 0.00 0.00 174.62 174.31 3h6f n GLY 227 N -0.64 2.92 0.34 3.99 0.00 -1.26 -2.92 105.19 107.63 3h6f n GLY 227 Ca -0.05 0.29 0.03 0.00 0.00 0.00 0.00 46.02 46.29 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 0.45 1.61 0.87 -1.99 -1.36 113.55 114.03 3h6f h SER 228 Ca 0.00 0.02 -0.13 0.00 -1.23 0.00 0.00 61.79 60.46 3h6f h SER 228 Cb 0.00 -0.17 -0.01 0.00 -0.44 0.00 0.00 62.40 61.78 3h6f h SER 228 CO 0.00 0.56 -0.55 0.00 -0.53 0.00 0.00 176.83 176.30 3h6f h ALA 229 N 1.45 1.00 0.08 6.23 0.00 -1.93 -2.98 119.26 123.11 3h6f h ALA 229 Ca 0.42 -0.51 -0.25 0.00 0.00 0.00 0.00 54.91 54.57 3h6f h ALA 229 Cb 0.24 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 3h6f h ALA 229 CO -0.20 0.69 -1.13 1.25 0.00 0.00 0.00 179.25 179.86 3h6f h LEU 230 N 0.09 0.31 -0.09 0.00 5.85 -1.51 -3.31 115.31 116.65 3h6f h LEU 230 Ca -0.00 -0.32 0.02 0.00 0.84 0.00 0.00 57.88 58.42 3h6f h LEU 230 Cb 1.01 -0.10 -0.02 0.00 0.37 0.00 0.00 40.66 41.92 3h6f h LEU 230 CO 0.08 1.23 -0.03 -0.61 -0.34 0.00 0.00 178.44 178.77 3h6f h GLN 231 N 0.06 -0.02 0.00 1.25 5.75 -1.18 -1.83 115.11 119.15 3h6f h GLN 231 Ca -0.09 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.41 3h6f h GLN 231 Cb 1.86 0.00 0.00 0.00 1.07 0.00 0.00 27.48 30.42 3h6f h GLN 231 CO 0.18 -0.01 0.00 0.00 -2.65 0.00 0.00 178.83 176.35 3h6f n ALA 232 N -2.25 2.27 0.12 3.38 0.00 -1.14 -2.75 120.51 120.14 3h6f n ALA 232 Ca -0.05 -0.01 0.05 0.00 0.00 0.00 0.00 53.44 53.43 3h6f n ALA 232 Cb 0.08 -1.02 -0.07 0.00 0.00 0.00 0.00 19.45 18.44 3h6f n ALA 232 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 3h6f n LEU 233 N -0.53 0.12 0.00 0.00 7.94 -0.70 -5.10 117.00 118.74 3h6f n LEU 233 Ca 0.01 -0.14 0.15 0.00 -1.11 0.00 0.00 56.01 54.92 3h6f n LEU 233 Cb 0.00 0.00 0.87 0.00 0.53 0.00 0.00 43.42 44.83 3h6f n LEU 233 CO 0.01 0.03 1.04 0.18 -1.11 0.00 0.00 177.39 177.54