#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3h6i h PRO 9 N 0.00 0.73 -0.26 -1.46 0.11 -2.05 0.20 132.00 129.26 3h6i h PRO 9 Ca 0.00 -0.04 -0.19 0.00 0.11 0.00 0.00 66.00 65.88 3h6i h PRO 9 Cb 0.00 -0.16 0.00 0.00 0.11 0.00 0.00 31.00 30.95 3h6i h PRO 9 CO 0.00 0.48 -0.58 0.93 -0.21 0.00 0.00 178.00 178.62 3h6i h GLU 10 N 0.75 0.84 -0.03 1.05 4.39 -2.06 -2.92 114.58 116.59 3h6i h GLU 10 Ca 0.32 -0.55 -0.23 0.00 0.34 0.00 0.00 59.36 59.23 3h6i h GLU 10 Cb 0.28 0.07 0.01 0.00 -0.10 0.00 0.00 28.75 29.01 3h6i h GLU 10 CO -0.11 1.18 -0.92 0.37 -1.16 0.00 0.00 179.01 178.37 3h6i h GLN 11 N 0.63 0.55 -0.80 2.33 4.15 -1.67 -2.94 115.11 117.36 3h6i h GLN 11 Ca 0.00 -0.55 -0.04 0.00 0.77 0.00 0.00 58.65 58.83 3h6i h GLN 11 Cb 1.19 0.15 -0.04 0.00 0.21 0.00 0.00 27.48 28.99 3h6i h GLN 11 CO 0.13 1.18 0.35 0.00 -1.93 0.00 0.00 178.83 178.55 3h6i h ALA 12 N 0.64 1.10 -0.60 3.38 0.00 -0.72 -0.58 119.26 122.49 3h6i h ALA 12 Ca -0.08 -0.18 -0.09 0.00 0.00 0.00 0.00 54.91 54.56 3h6i h ALA 12 Cb 1.55 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 19.00 3h6i h ALA 12 CO 0.17 0.65 0.04 1.98 0.00 0.00 0.00 179.25 182.10 3h6i h MET 13 N 1.15 1.04 -0.47 0.00 4.05 -1.51 -1.12 114.93 118.07 3h6i h MET 13 Ca 0.27 -0.31 -0.10 0.00 -0.28 0.00 0.00 59.70 59.28 3h6i h MET 13 Cb 0.17 -0.11 -0.02 0.00 -0.80 0.00 0.00 31.60 30.85 3h6i h MET 13 CO -0.03 1.00 -0.12 -0.09 0.23 0.00 0.00 176.91 177.90 3h6i h ARG 14 N 0.94 0.87 -0.04 0.39 2.43 -1.25 -2.05 114.38 115.67 3h6i h ARG 14 Ca 0.18 -0.31 -0.01 0.00 -0.81 0.00 0.00 59.98 59.03 3h6i h ARG 14 Cb 0.50 -0.06 -0.00 0.00 -0.42 0.00 0.00 29.97 29.99 3h6i h ARG 14 CO 0.02 0.95 0.00 0.93 -1.51 0.00 0.00 179.97 180.36 3h6i h GLU 15 N 0.78 0.07 -0.84 0.20 5.08 -0.94 -1.28 114.58 117.66 3h6i h GLU 15 Ca 0.13 -0.02 0.07 0.00 -1.00 0.00 0.00 59.36 58.54 3h6i h GLU 15 Cb 0.64 -0.01 -0.06 0.00 0.50 0.00 0.00 28.75 29.83 3h6i h GLU 15 CO 0.04 0.34 0.55 0.00 -1.00 0.00 0.00 179.01 178.94 3h6i h ARG 16 N -0.20 0.87 -0.70 2.33 3.08 -1.18 0.14 114.38 118.71 3h6i h ARG 16 Ca 0.01 -0.05 -0.05 0.00 0.07 0.00 0.00 59.98 59.96 3h6i h ARG 16 Cb 0.31 -0.20 -0.03 0.00 0.08 0.00 0.00 29.97 30.13 3h6i h ARG 16 CO 0.00 0.57 0.24 0.77 -1.07 0.00 0.00 179.97 180.49 3h6i h SER 17 N 0.89 0.98 -0.25 7.04 0.02 -1.13 -2.27 113.55 118.84 3h6i h SER 17 Ca 0.37 -0.16 -0.14 0.00 -0.84 0.00 0.00 61.79 61.02 3h6i h SER 17 Cb 0.27 -0.26 -0.00 0.00 0.14 0.00 0.00 62.40 62.56 3h6i h SER 17 CO -0.14 0.90 -0.38 -0.33 -1.14 0.00 0.00 176.83 175.75 3h6i h GLU 18 N 1.03 0.69 -0.82 3.45 4.39 0.36 -0.40 114.58 123.28 3h6i h GLU 18 Ca 0.23 -0.41 0.05 0.00 0.34 0.00 0.00 59.36 59.57 3h6i h GLU 18 Cb 0.25 0.04 -0.06 0.00 -0.10 0.00 0.00 28.75 28.89 3h6i h GLU 18 CO -0.01 1.03 0.51 1.25 -1.16 0.00 0.00 179.01 180.63 3h6i h LEU 19 N 0.41 0.81 -0.01 1.33 6.46 -0.70 -0.48 115.31 123.14 3h6i h LEU 19 Ca 0.02 0.01 -0.01 0.00 -0.12 0.00 0.00 57.88 57.79 3h6i h LEU 19 Cb 0.97 -0.16 0.00 0.00 -0.73 0.00 0.00 40.66 40.74 3h6i h LEU 19 CO 0.09 0.53 -0.02 0.00 -0.62 0.00 0.00 178.44 178.42 3h6i h ALA 20 N 1.37 0.01 -0.61 1.25 0.00 -1.36 -2.85 119.26 117.08 3h6i h ALA 20 Ca 0.35 -0.32 0.06 0.00 0.00 0.00 0.00 54.91 54.99 3h6i h ALA 20 Cb 0.12 -0.00 -0.04 0.00 0.00 0.00 0.00 17.79 17.87 3h6i h ALA 20 CO -0.15 -0.16 0.40 -0.09 0.00 0.00 0.00 179.25 179.25 3h6i h ARG 21 N -0.59 0.59 -0.27 0.00 2.43 -0.75 -1.64 114.38 114.15 3h6i h ARG 21 Ca -0.00 -0.04 -0.19 0.00 -0.81 0.00 0.00 59.98 58.94 3h6i h ARG 21 Cb 0.65 -0.13 0.00 0.00 -0.42 0.00 0.00 29.97 30.07 3h6i h ARG 21 CO 0.00 0.39 -0.58 0.87 -1.51 0.00 0.00 179.97 179.15 3h6i h LYS 22 N 0.61 0.87 -0.40 0.20 1.57 -1.15 -1.02 116.57 117.24 3h6i h LYS 22 Ca 0.26 -0.57 -0.10 0.00 -1.87 0.00 0.00 60.65 58.37 3h6i h LYS 22 Cb 0.25 0.07 -0.02 0.00 0.08 0.00 0.00 32.23 32.62 3h6i h LYS 22 CO -0.08 1.20 -0.16 0.78 -0.57 0.00 0.00 179.45 180.63 3h6i h GLY 23 N 0.68 0.81 0.99 3.86 0.00 -1.12 -1.57 103.07 106.73 3h6i h GLY 23 Ca 0.01 -0.64 -0.14 0.00 0.00 0.00 0.00 47.33 46.55 3h6i h GLY 23 CO 0.13 0.59 -0.39 -2.22 0.00 0.00 0.00 176.54 174.64 3h6i h ILE 24 N 0.67 1.31 -0.03 2.60 2.04 -1.26 -3.01 117.51 119.83 3h6i h ILE 24 Ca 0.11 -1.59 -0.03 0.00 1.00 0.00 0.00 64.86 64.35 3h6i h ILE 24 Cb 0.64 1.72 -0.00 0.00 -0.74 0.00 0.00 36.82 38.44 3h6i h ILE 24 CO 0.04 0.50 -0.10 0.00 0.00 0.00 0.00 178.15 178.60 3h6i h ALA 25 N 0.65 1.78 0.00 1.87 0.00 -0.97 -1.62 119.26 120.97 3h6i h ALA 25 Ca 0.02 -0.11 -0.10 0.00 0.00 0.00 0.00 54.91 54.72 3h6i h ALA 25 Cb 0.99 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.73 3h6i h ALA 25 CO 0.09 0.17 -0.47 -0.09 0.00 0.00 0.00 179.25 178.95 3h6i h ARG 26 N 0.04 0.00 -7.29 0.00 2.43 -1.24 -3.32 114.38 105.00 3h6i h ARG 26 Ca 0.01 0.00 -0.48 0.00 -0.81 0.00 0.00 59.98 58.70 3h6i h ARG 26 Cb 0.21 0.00 0.07 0.00 -0.42 0.00 0.00 29.97 29.83 3h6i h ARG 26 CO 0.01 0.47 0.28 0.00 -1.51 0.00 0.00 179.97 179.22 3h6i s ALA 27 N -3.29 3.11 0.85 2.80 0.00 -0.73 -4.91 121.76 119.59 3h6i s ALA 27 Ca 0.02 -0.61 -0.11 0.00 0.00 0.00 0.00 51.96 51.26 3h6i s ALA 27 Cb 0.10 -2.76 0.11 0.00 0.00 0.00 0.00 23.12 20.56 3h6i s ALA 27 CO 0.72 -1.04 1.11 0.15 0.00 0.00 0.00 175.76 176.70 3h6i s LYS 28 N -5.18 1.57 0.16 0.00 -0.14 -1.26 -1.80 119.74 113.08 3h6i s LYS 28 Ca 0.57 1.23 -0.02 0.00 -1.36 0.00 0.00 55.97 56.38 3h6i s LYS 28 Cb -0.11 -1.81 -0.05 0.00 -1.68 0.00 0.00 37.83 34.18 3h6i s LYS 28 CO 0.47 -2.15 0.36 -1.12 -0.76 0.00 0.00 175.35 172.16 3h6i s SER 29 N -3.13 6.42 0.01 2.83 0.01 -1.26 -4.08 113.70 114.50 3h6i s SER 29 Ca 0.64 0.46 0.02 0.00 1.31 0.00 0.00 55.95 58.38 3h6i s SER 29 Cb -0.19 -2.04 -0.01 0.00 0.21 0.00 0.00 66.02 63.99 3h6i s SER 29 CO 0.57 0.02 -0.08 -0.69 0.41 0.00 0.00 173.24 173.47 3h6i s VAL 30 N -1.74 0.61 -0.03 3.43 1.01 0.91 -2.04 120.40 122.55 3h6i s VAL 30 Ca 0.39 -0.48 0.03 0.00 0.00 0.00 0.00 61.98 61.92 3h6i s VAL 30 Cb -0.12 -0.55 0.00 0.00 0.00 0.00 0.00 36.38 35.72 3h6i s VAL 30 CO 0.27 0.07 -0.12 -0.69 0.00 0.00 0.00 175.10 174.63 3h6i s VAL 31 N -0.41 1.03 -0.08 2.92 1.01 -0.37 -0.06 120.40 124.45 3h6i s VAL 31 Ca 0.01 -0.50 0.01 0.00 0.00 0.00 0.00 61.98 61.50 3h6i s VAL 31 Cb -0.04 -0.90 0.02 0.00 0.00 0.00 0.00 36.38 35.45 3h6i s VAL 31 CO -0.00 0.31 -0.10 0.00 0.00 0.00 0.00 175.10 175.31 3h6i s ALA 32 N 0.13 1.23 0.02 5.51 0.00 -0.39 -1.03 121.76 127.24 3h6i s ALA 32 Ca -0.03 -0.43 -0.03 0.00 0.00 0.00 0.00 51.96 51.47 3h6i s ALA 32 Cb -0.10 -0.66 -0.01 0.00 0.00 0.00 0.00 23.12 22.35 3h6i s ALA 32 CO 0.01 -0.06 0.04 -0.48 0.00 0.00 0.00 175.76 175.27 3h6i s LEU 33 N 1.01 1.97 0.10 0.00 0.05 -0.05 -0.50 118.68 121.25 3h6i s LEU 33 Ca -0.08 -0.45 -0.29 0.00 0.05 0.00 0.00 54.13 53.35 3h6i s LEU 33 Cb -0.15 0.38 -0.06 0.00 -2.05 0.00 0.00 46.19 44.31 3h6i s LEU 33 CO -0.00 -0.38 0.93 0.00 -0.55 0.00 0.00 176.35 176.35 3h6i s ALA 34 N -1.82 3.26 0.02 1.48 0.00 -0.78 -0.79 121.76 123.14 3h6i s ALA 34 Ca -0.12 0.53 0.00 0.00 0.00 0.00 0.00 51.96 52.38 3h6i s ALA 34 Cb -0.06 -3.24 -0.00 0.00 0.00 0.00 0.00 23.12 19.82 3h6i s ALA 34 CO -0.01 -0.01 0.01 2.48 0.00 0.00 0.00 175.76 178.23 3h6i n TYR 35 N 2.75 -0.02 0.06 0.00 0.18 -0.71 -4.67 117.16 114.76 3h6i n TYR 35 Ca 0.01 -0.12 -0.13 0.00 1.88 0.00 0.00 57.90 59.55 3h6i n TYR 35 Cb 0.49 0.01 -0.08 0.00 -0.38 0.00 0.00 39.34 39.38 3h6i n TYR 35 CO 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 176.86 174.78 3h6i h ALA 36 N 1.04 -0.12 -0.13 -3.48 0.00 -1.41 -3.23 119.26 111.93 3h6i h ALA 36 Ca -0.01 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.80 3h6i h ALA 36 Cb 0.05 0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.89 3h6i h ALA 36 CO 0.02 -0.48 0.00 0.41 0.00 0.00 0.00 179.25 179.20 3h6i n GLY 37 N -0.67 -0.12 0.00 0.00 0.00 -1.26 -5.02 105.19 98.12 3h6i n GLY 37 Ca -0.08 -0.30 0.00 0.00 0.00 0.00 0.00 46.02 45.63 3h6i n GLY 37 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3h6i n GLY 38 N 0.99 0.37 3.23 -0.02 0.00 -1.22 -0.82 105.19 107.72 3h6i n GLY 38 Ca 0.14 -0.60 -0.23 0.00 0.00 0.00 0.00 46.02 45.33 3h6i n GLY 38 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3h6i s VAL 39 N 0.00 1.50 -0.06 1.61 1.01 -0.68 -1.75 120.40 122.04 3h6i s VAL 39 Ca 0.00 -1.29 0.04 0.00 0.00 0.00 0.00 61.98 60.74 3h6i s VAL 39 Cb 0.00 -1.35 -0.00 0.00 0.00 0.00 0.00 36.38 35.03 3h6i s VAL 39 CO 0.00 0.03 -0.19 -0.22 0.00 0.00 0.00 175.10 174.72 3h6i s LEU 40 N -1.48 1.93 -0.11 3.92 2.96 0.03 -1.10 118.68 124.83 3h6i s LEU 40 Ca 0.05 -0.40 0.02 0.00 -0.22 0.00 0.00 54.13 53.58 3h6i s LEU 40 Cb -0.09 -1.08 -0.01 0.00 0.50 0.00 0.00 46.19 45.51 3h6i s LEU 40 CO 0.03 0.15 -0.20 -0.36 -1.32 0.00 0.00 176.35 174.65 3h6i s PHE 41 N 0.14 2.65 -0.05 5.38 0.08 0.80 -0.88 117.98 126.11 3h6i s PHE 41 Ca -0.08 -0.86 -0.01 0.00 0.12 0.00 0.00 56.93 56.11 3h6i s PHE 41 Cb -0.14 -1.76 0.03 0.00 -0.57 0.00 0.00 43.02 40.59 3h6i s PHE 41 CO 0.04 -0.32 0.00 0.08 -0.10 0.00 0.00 175.22 174.92 3h6i s VAL 42 N 0.30 0.28 0.07 -0.44 1.01 -0.19 -1.75 120.40 119.68 3h6i s VAL 42 Ca -0.15 0.13 0.05 0.00 0.00 0.00 0.00 61.98 62.02 3h6i s VAL 42 Cb -0.17 -0.43 -0.03 0.00 0.00 0.00 0.00 36.38 35.76 3h6i s VAL 42 CO 0.07 0.22 -0.15 0.00 0.00 0.00 0.00 175.10 175.25 3h6i s ALA 43 N 1.68 1.23 -0.65 5.51 0.00 -0.07 -1.23 121.76 128.21 3h6i s ALA 43 Ca 0.00 -1.01 -0.27 0.00 0.00 0.00 0.00 51.96 50.67 3h6i s ALA 43 Cb -0.13 -0.11 0.03 0.00 0.00 0.00 0.00 23.12 22.91 3h6i s ALA 43 CO -0.04 0.19 1.22 -1.21 0.00 0.00 0.00 175.76 175.92 3h6i s GLU 44 N -1.73 3.35 -0.29 0.00 2.02 -0.86 -1.06 118.70 120.13 3h6i s GLU 44 Ca -0.01 -0.02 -0.02 0.00 0.02 0.00 0.00 54.97 54.94 3h6i s GLU 44 Cb -0.10 -4.10 0.12 0.00 0.10 0.00 0.00 34.13 30.15 3h6i s GLU 44 CO 0.02 -1.89 0.21 1.21 0.02 0.00 0.00 175.26 174.83 3h6i s ASN 45 N 3.33 2.62 0.24 -0.19 3.84 -0.63 -4.67 114.94 119.47 3h6i s ASN 45 Ca 0.38 -1.03 -0.03 0.00 0.21 0.00 0.00 52.86 52.40 3h6i s ASN 45 Cb -0.08 0.07 0.26 0.00 -0.55 0.00 0.00 41.25 40.95 3h6i s ASN 45 CO 0.20 -0.41 1.69 1.55 -2.79 0.00 0.00 177.10 177.34 3h6i h PRO 46 N 8.34 0.78 -6.54 0.43 0.13 -1.79 -3.23 132.00 130.11 3h6i h PRO 46 Ca -0.17 -0.26 -0.53 0.00 -0.87 0.00 0.00 66.00 64.17 3h6i h PRO 46 Cb 1.04 -0.06 0.02 0.00 0.13 0.00 0.00 31.00 32.13 3h6i h PRO 46 CO 0.39 0.86 0.65 0.45 -0.23 0.00 0.00 178.00 180.12 3h6i s SER 47 N -6.70 6.93 0.15 1.44 0.15 -1.26 -4.79 113.70 109.62 3h6i s SER 47 Ca -0.09 2.22 -0.12 0.00 0.70 0.00 0.00 55.95 58.66 3h6i s SER 47 Cb 0.14 -2.59 0.00 0.00 -1.71 0.00 0.00 66.02 61.87 3h6i s SER 47 CO 0.82 -0.57 1.56 0.08 1.20 0.00 0.00 173.24 176.34 3h6i h ARG 48 N 6.61 0.91 0.00 5.44 0.11 -1.92 -3.36 114.38 122.17 3h6i h ARG 48 Ca -0.42 -0.34 0.00 0.00 0.10 0.00 0.00 59.98 59.32 3h6i h ARG 48 Cb 1.21 -0.06 0.00 0.00 1.11 0.00 0.00 29.97 32.24 3h6i h ARG 48 CO 0.83 0.99 -1.32 -1.13 0.10 0.00 0.00 179.97 179.45 3h6i n SER 49 N -4.24 0.61 -4.43 0.08 3.41 -1.26 -4.85 113.62 102.93 3h6i n SER 49 Ca 0.00 -0.53 -0.37 0.00 -0.26 0.00 0.00 58.87 57.71 3h6i n SER 49 Cb 0.38 1.27 -0.12 0.00 -0.26 0.00 0.00 64.21 65.48 3h6i n SER 49 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 3h6i s LEU 50 N -3.65 3.60 -0.04 1.04 1.43 -1.26 -5.07 118.68 114.74 3h6i s LEU 50 Ca 0.02 -0.33 0.04 0.00 -1.03 0.00 0.00 54.13 52.83 3h6i s LEU 50 Cb 0.15 -1.93 -0.03 0.00 0.03 0.00 0.00 46.19 44.41 3h6i s LEU 50 CO 0.87 -0.08 -0.14 -1.10 0.23 0.00 0.00 176.35 176.13 3h6i s GLN 51 N 1.60 2.48 0.00 1.70 -0.21 -1.26 -4.75 119.66 119.22 3h6i s GLN 51 Ca 0.06 -0.71 0.16 0.00 0.02 0.00 0.00 55.36 54.88 3h6i s GLN 51 Cb -0.16 -2.38 -0.08 0.00 1.00 0.00 0.00 33.01 31.39 3h6i s GLN 51 CO 0.04 0.62 0.78 1.63 -2.12 0.00 0.00 175.29 176.24 3h6i n LYS 52 N 2.18 1.71 -4.85 2.91 5.02 -1.26 -4.96 118.16 118.91 3h6i n LYS 52 Ca -0.17 -0.45 -0.27 0.00 -2.02 0.00 0.00 58.31 55.40 3h6i n LYS 52 Cb 0.52 -1.27 -0.15 0.00 -0.02 0.00 0.00 35.03 34.11 3h6i n LYS 52 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 3h6i s ILE 53 N -2.19 1.76 0.07 -0.18 1.01 -1.26 -1.25 121.20 119.15 3h6i s ILE 53 Ca 0.10 -1.12 -0.26 0.00 0.00 0.00 0.00 60.65 59.37 3h6i s ILE 53 Cb 0.13 -1.50 0.08 0.00 0.01 0.00 0.00 42.46 41.18 3h6i s ILE 53 CO 0.52 0.34 0.70 -0.55 0.00 0.00 0.00 174.94 175.95 3h6i s SER 54 N -0.92 -0.53 0.37 3.58 0.15 0.71 -4.98 113.70 112.08 3h6i s SER 54 Ca 0.08 0.16 -0.25 0.00 0.70 0.00 0.00 55.95 56.64 3h6i s SER 54 Cb -0.09 0.53 -0.09 0.00 -1.71 0.00 0.00 66.02 64.66 3h6i s SER 54 CO 0.01 -0.80 1.09 -0.70 1.20 0.00 0.00 173.24 174.04 3h6i s GLU 55 N -2.99 4.24 -0.01 5.44 2.12 -1.26 -0.10 118.70 126.13 3h6i s GLU 55 Ca -0.01 1.64 -0.04 0.00 0.36 0.00 0.00 54.97 56.93 3h6i s GLU 55 Cb -0.01 -2.71 -0.02 0.00 0.26 0.00 0.00 34.13 31.65 3h6i s GLU 55 CO -0.07 -0.11 -0.09 1.28 -0.54 0.00 0.00 175.26 175.73 3h6i n LEU 56 N 0.22 0.97 0.00 2.70 4.77 -0.55 -4.76 117.00 120.35 3h6i n LEU 56 Ca 0.04 0.14 0.00 0.00 -0.03 0.00 0.00 56.01 56.16 3h6i n LEU 56 Cb 0.48 -0.34 0.00 0.00 -2.33 0.00 0.00 43.42 41.23 3h6i n LEU 56 CO 0.48 -0.30 0.00 0.00 -1.33 0.00 0.00 177.39 176.24 3h6i n TYR 57 N -3.56 -0.26 -0.16 -1.77 9.36 -0.91 -4.75 117.16 115.11 3h6i n TYR 57 Ca -0.08 0.00 -0.06 0.00 3.32 0.00 0.00 57.90 61.08 3h6i n TYR 57 Cb 0.33 0.00 0.03 0.00 -0.63 0.00 0.00 39.34 39.07 3h6i n TYR 57 CO 0.00 0.00 0.00 -0.44 0.22 0.00 0.00 176.86 176.64 3h6i h ASP 58 N 0.00 0.42 -0.05 2.98 3.32 -1.93 -3.03 116.42 118.13 3h6i h ASP 58 Ca 0.00 0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.06 3h6i h ASP 58 Cb 0.00 -0.07 0.00 0.00 0.22 0.00 0.00 39.33 39.48 3h6i h ASP 58 CO 0.00 0.29 0.00 0.54 -1.72 0.00 0.00 179.24 178.35 3h6i n ARG 59 N -4.85 0.59 -4.09 3.56 5.12 -1.26 -0.97 116.66 114.77 3h6i n ARG 59 Ca 0.03 -1.09 -0.35 0.00 -1.93 0.00 0.00 57.85 54.51 3h6i n ARG 59 Cb 0.09 -1.12 -0.09 0.00 -1.16 0.00 0.00 32.46 30.18 3h6i n ARG 59 CO 0.00 0.00 0.00 0.08 -1.93 0.00 0.00 177.63 175.78 3h6i s VAL 60 N -0.63 4.76 0.34 1.55 1.01 -1.14 -2.64 120.40 123.64 3h6i s VAL 60 Ca 0.08 -0.06 0.08 0.00 0.00 0.00 0.00 61.98 62.09 3h6i s VAL 60 Cb 0.05 -3.10 -0.07 0.00 0.00 0.00 0.00 36.38 33.27 3h6i s VAL 60 CO 0.08 0.52 -0.06 -0.83 0.00 0.00 0.00 175.10 174.81 3h6i s GLY 61 N -0.16 2.16 0.04 4.51 0.00 0.18 -1.49 107.32 112.56 3h6i s GLY 61 Ca 0.07 -2.09 0.02 0.00 0.00 0.00 0.00 44.72 42.73 3h6i s GLY 61 CO 0.01 -1.99 -0.08 -0.12 0.00 0.00 0.00 173.10 170.92 3h6i s PHE 62 N -2.75 0.71 -0.14 1.90 2.19 0.85 -1.56 117.98 119.18 3h6i s PHE 62 Ca 0.32 -0.41 -0.18 0.00 0.33 0.00 0.00 56.93 56.99 3h6i s PHE 62 Cb 0.04 -0.42 0.05 0.00 -1.31 0.00 0.00 43.02 41.38 3h6i s PHE 62 CO 0.16 -0.05 0.47 0.00 1.83 0.00 0.00 175.22 177.63 3h6i s ALA 63 N -1.11 -1.18 0.13 11.12 0.00 -0.57 -0.21 121.76 129.93 3h6i s ALA 63 Ca -0.07 1.17 -0.10 0.00 0.00 0.00 0.00 51.96 52.96 3h6i s ALA 63 Cb -0.08 -0.55 0.00 0.00 0.00 0.00 0.00 23.12 22.49 3h6i s ALA 63 CO 0.00 -0.25 0.27 0.00 0.00 0.00 0.00 175.76 175.79 3h6i s ALA 64 N -0.19 -0.26 0.02 0.00 0.00 -0.38 -0.48 121.76 120.48 3h6i s ALA 64 Ca -0.04 -0.64 0.01 0.00 0.00 0.00 0.00 51.96 51.30 3h6i s ALA 64 Cb -0.03 0.69 -0.02 0.00 0.00 0.00 0.00 23.12 23.76 3h6i s ALA 64 CO 0.02 -0.60 -0.05 0.00 0.00 0.00 0.00 175.76 175.13 3h6i s ALA 65 N -3.90 0.37 0.00 0.00 0.00 -0.94 -4.81 121.76 112.48 3h6i s ALA 65 Ca 0.10 -0.56 0.00 0.00 0.00 0.00 0.00 51.96 51.50 3h6i s ALA 65 Cb 0.04 0.04 0.00 0.00 0.00 0.00 0.00 23.12 23.20 3h6i s ALA 65 CO -0.06 -0.03 0.00 0.41 0.00 0.00 0.00 175.76 176.07 3h6i n GLY 66 N 1.90 0.45 3.63 0.00 0.00 -1.26 -1.63 105.19 108.29 3h6i n GLY 66 Ca -0.20 -1.80 -0.43 0.00 0.00 0.00 0.00 46.02 43.59 3h6i n GLY 66 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3h6i s LYS 67 N -0.96 3.96 0.17 1.61 2.20 -0.29 -4.90 119.74 121.54 3h6i s LYS 67 Ca 0.00 1.10 -0.24 0.00 -0.36 0.00 0.00 55.97 56.47 3h6i s LYS 67 Cb 0.00 -3.82 0.06 0.00 -1.51 0.00 0.00 37.83 32.56 3h6i s LYS 67 CO 0.00 -1.05 1.58 0.35 -0.36 0.00 0.00 175.35 175.86 3h6i h PHE 68 N 8.77 -1.14 -0.62 4.03 3.57 -1.95 -1.83 116.94 127.77 3h6i h PHE 68 Ca -0.23 0.08 0.16 0.00 3.53 0.00 0.00 57.97 61.50 3h6i h PHE 68 Cb 1.08 0.58 -0.03 0.00 2.79 0.00 0.00 35.95 40.37 3h6i h PHE 68 CO 0.87 -0.41 0.43 -2.95 -2.23 0.00 0.00 178.31 174.02 3h6i h ASN 69 N -0.22 0.12 0.12 0.41 -0.00 -1.99 0.55 115.58 114.57 3h6i h ASN 69 Ca 0.19 0.01 -0.15 0.00 -0.00 0.00 0.00 56.30 56.34 3h6i h ASN 69 Cb 0.56 -0.02 0.02 0.00 -0.00 0.00 0.00 38.32 38.88 3h6i h ASN 69 CO -0.66 0.06 -0.67 -0.33 -0.00 0.00 0.00 177.43 175.83 3h6i h GLU 70 N 0.13 0.25 0.00 4.14 5.08 -1.75 -2.95 114.58 119.48 3h6i h GLU 70 Ca 0.30 -0.42 -0.08 0.00 -1.00 0.00 0.00 59.36 58.15 3h6i h GLU 70 Cb 0.99 0.16 -0.01 0.00 0.50 0.00 0.00 28.75 30.39 3h6i h GLU 70 CO -0.04 1.20 -0.40 0.27 -1.00 0.00 0.00 179.01 179.05 3h6i h PHE 71 N -0.49 0.00 -0.28 4.33 -5.15 -0.93 -2.75 116.94 111.68 3h6i h PHE 71 Ca -0.12 0.00 -0.17 0.00 -0.20 0.00 0.00 57.97 57.48 3h6i h PHE 71 Cb 1.53 0.00 -0.00 0.00 0.22 0.00 0.00 35.95 37.69 3h6i h PHE 71 CO 0.21 0.40 -0.49 0.22 -2.00 0.00 0.00 178.31 176.64 3h6i h ASP 72 N 0.00 0.85 -0.75 -0.68 3.58 -1.02 0.58 116.42 118.99 3h6i h ASP 72 Ca -0.00 -0.43 -0.01 0.00 0.42 0.00 0.00 57.03 57.00 3h6i h ASP 72 Cb 1.16 -0.24 -0.04 0.00 1.72 0.00 0.00 39.33 41.93 3h6i h ASP 72 CO 0.05 1.20 0.43 -1.13 -2.88 0.00 0.00 179.24 176.91 3h6i h ASN 73 N 0.61 0.94 0.61 2.28 -1.24 -1.43 0.13 115.58 117.48 3h6i h ASN 73 Ca 0.03 -0.07 -0.17 0.00 0.71 0.00 0.00 56.30 56.79 3h6i h ASN 73 Cb 1.07 -0.24 -0.02 0.00 0.73 0.00 0.00 38.32 39.87 3h6i h ASN 73 CO 0.11 0.75 -0.78 -0.07 -1.29 0.00 0.00 177.43 176.14 3h6i h LEU 74 N 1.06 0.16 -0.32 0.34 3.38 -1.18 -1.96 115.31 116.80 3h6i h LEU 74 Ca 0.27 -0.12 -0.03 0.00 0.09 0.00 0.00 57.88 58.09 3h6i h LEU 74 Cb 0.01 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 40.70 3h6i h LEU 74 CO -0.05 0.87 0.08 -0.09 0.09 0.00 0.00 178.44 179.35 3h6i h ARG 75 N 0.08 0.51 -0.49 1.13 2.43 0.10 -0.89 114.38 117.26 3h6i h ARG 75 Ca -0.02 -0.12 -0.05 0.00 -0.81 0.00 0.00 59.98 58.98 3h6i h ARG 75 Cb 1.37 -0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 30.83 3h6i h ARG 75 CO 0.11 0.57 0.11 0.00 -1.51 0.00 0.00 179.97 179.26 3h6i h ARG 76 N 0.35 0.78 -0.50 0.20 3.08 -0.96 -1.59 114.38 115.75 3h6i h ARG 76 Ca 0.10 -0.19 -0.03 0.00 0.07 0.00 0.00 59.98 59.93 3h6i h ARG 76 Cb 0.29 -0.10 -0.02 0.00 0.08 0.00 0.00 29.97 30.22 3h6i h ARG 76 CO 0.00 0.76 0.20 0.78 -1.07 0.00 0.00 179.97 180.64 3h6i h GLY 77 N 0.67 0.78 1.40 0.04 0.00 -1.26 -1.51 103.07 103.17 3h6i h GLY 77 Ca 0.15 -0.38 -0.15 0.00 0.00 0.00 0.00 47.33 46.95 3h6i h GLY 77 CO 0.00 0.36 -0.43 -1.33 0.00 0.00 0.00 176.54 175.15 3h6i h GLY 78 N 0.86 0.72 1.02 4.60 0.00 -0.82 -0.33 103.07 109.11 3h6i h GLY 78 Ca 0.17 -0.74 -0.11 0.00 0.00 0.00 0.00 47.33 46.65 3h6i h GLY 78 CO -0.02 0.67 -0.18 -2.22 0.00 0.00 0.00 176.54 174.79 3h6i h ILE 79 N 0.53 1.28 -0.19 2.60 2.04 -0.92 -1.30 117.51 121.55 3h6i h ILE 79 Ca 0.04 -1.32 -0.01 0.00 1.00 0.00 0.00 64.86 64.57 3h6i h ILE 79 Cb 0.96 1.28 -0.01 0.00 -0.74 0.00 0.00 36.82 38.32 3h6i h ILE 79 CO 0.09 0.44 0.09 -0.61 0.00 0.00 0.00 178.15 178.16 3h6i h GLN 80 N 0.63 0.28 0.00 2.37 4.15 -1.14 -1.15 115.11 120.26 3h6i h GLN 80 Ca 0.09 -0.04 0.01 0.00 0.77 0.00 0.00 58.65 59.48 3h6i h GLN 80 Cb 0.74 -0.05 -0.02 0.00 0.21 0.00 0.00 27.48 28.36 3h6i h GLN 80 CO 0.06 0.32 -0.07 0.35 -1.93 0.00 0.00 178.83 177.55 3h6i h PHE 81 N 0.17 -0.18 -0.64 3.99 3.57 -1.00 -1.37 116.94 121.48 3h6i h PHE 81 Ca 0.07 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.57 3h6i h PHE 81 Cb 0.13 0.08 -0.03 0.00 2.79 0.00 0.00 35.95 38.92 3h6i h PHE 81 CO -0.02 -0.11 0.42 0.00 -2.23 0.00 0.00 178.31 176.36 3h6i h ALA 82 N 0.85 0.82 -0.42 2.41 0.00 -1.11 -0.76 119.26 121.06 3h6i h ALA 82 Ca 0.03 -0.06 -0.11 0.00 0.00 0.00 0.00 54.91 54.77 3h6i h ALA 82 Cb 0.17 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 3h6i h ALA 82 CO -0.07 0.26 -0.18 -0.44 0.00 0.00 0.00 179.25 178.81 3h6i h ASP 83 N 0.87 0.81 -0.42 0.00 3.32 -1.06 -0.72 116.42 119.22 3h6i h ASP 83 Ca 0.23 -0.28 -0.15 0.00 0.02 0.00 0.00 57.03 56.86 3h6i h ASP 83 Cb -0.08 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 39.24 3h6i h ASP 83 CO -0.05 0.99 -0.30 0.74 -1.72 0.00 0.00 179.24 178.90 3h6i h THR 84 N 0.71 1.27 -0.19 0.35 2.02 -1.07 -2.39 112.91 113.61 3h6i h THR 84 Ca 0.10 -1.47 -0.06 0.00 0.77 0.00 0.00 66.41 65.75 3h6i h THR 84 Cb 0.70 1.25 -0.00 0.00 -1.74 0.00 0.00 68.15 68.36 3h6i h THR 84 CO 0.05 0.50 -0.14 0.03 0.37 0.00 0.00 175.52 176.34 3h6i h ARG 85 N 0.81 0.42 0.00 6.66 2.47 -0.96 -1.49 114.38 122.29 3h6i h ARG 85 Ca 0.09 -0.20 -0.04 0.00 -1.26 0.00 0.00 59.98 58.56 3h6i h ARG 85 Cb 0.89 -0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 29.20 3h6i h ARG 85 CO 0.08 0.75 -0.21 0.78 0.56 0.00 0.00 179.97 181.93 3h6i h GLY 86 N 0.09 0.00 0.69 0.04 0.00 -1.12 0.69 103.07 103.45 3h6i h GLY 86 Ca 0.04 0.00 -0.15 0.00 0.00 0.00 0.00 47.33 47.22 3h6i h GLY 86 CO 0.04 0.00 -0.62 -1.82 0.00 0.00 0.00 176.54 174.14 3h6i h TYR 87 N 0.00 0.53 0.00 5.60 3.20 -1.28 -3.12 116.97 121.90 3h6i h TYR 87 Ca -0.00 -0.32 -0.12 0.00 3.14 0.00 0.00 58.73 61.43 3h6i h TYR 87 Cb 0.37 -0.05 -0.02 0.00 1.54 0.00 0.00 36.73 38.58 3h6i h TYR 87 CO 0.00 1.18 -0.56 0.00 -1.64 0.00 0.00 178.16 177.14 3h6i h ALA 88 N 0.22 1.00 -3.00 1.82 0.00 -1.06 -3.44 119.26 114.80 3h6i h ALA 88 Ca -0.09 -0.51 0.00 0.00 0.00 0.00 0.00 54.91 54.31 3h6i h ALA 88 Cb 1.38 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.08 3h6i h ALA 88 CO 0.12 0.70 0.00 0.66 0.00 0.00 0.00 179.25 180.73 3h6i n TYR 89 N -3.76 0.00 -3.86 0.00 4.01 0.22 -5.09 117.16 108.68 3h6i n TYR 89 Ca -0.01 0.00 -0.09 0.00 -0.16 0.00 0.00 57.90 57.64 3h6i n TYR 89 Cb 0.59 0.00 -0.07 0.00 -0.31 0.00 0.00 39.34 39.55 3h6i n TYR 89 CO 0.00 0.00 0.00 0.16 -0.46 0.00 0.00 176.86 176.56 3h6i s ASP 90 N 0.51 0.02 0.58 7.72 1.47 -1.18 -4.97 116.67 120.82 3h6i s ASP 90 Ca 0.00 -0.68 0.29 0.00 1.18 0.00 0.00 52.55 53.34 3h6i s ASP 90 Cb 0.00 0.41 1.75 0.00 -0.34 0.00 0.00 42.92 44.74 3h6i s ASP 90 CO 0.00 -0.83 2.23 0.03 0.68 0.00 0.00 175.17 177.29 3h6i h ARG 91 N 2.59 0.00 0.00 2.11 3.08 -1.91 -2.52 114.38 117.73 3h6i h ARG 91 Ca -0.33 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.72 3h6i h ARG 91 Cb 1.22 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.27 3h6i h ARG 91 CO 0.51 0.01 0.00 -2.13 -1.07 0.00 0.00 179.97 177.29 3h6i n ARG 92 N -3.87 0.07 0.17 0.04 0.63 -1.26 -2.93 116.66 109.51 3h6i n ARG 92 Ca -0.03 0.22 0.04 0.00 -0.92 0.00 0.00 57.85 57.15 3h6i n ARG 92 Cb 0.10 -1.61 0.28 0.00 0.45 0.00 0.00 32.46 31.68 3h6i n ARG 92 CO 0.00 0.00 0.00 0.22 -2.51 0.00 0.00 177.63 175.34 3h6i h ASP 93 N 0.00 0.00 -3.19 6.15 3.58 -1.82 -3.41 116.42 117.72 3h6i h ASP 93 Ca 0.00 0.00 -0.58 0.00 0.42 0.00 0.00 57.03 56.87 3h6i h ASP 93 Cb 0.40 0.00 -0.06 0.00 1.72 0.00 0.00 39.33 41.39 3h6i h ASP 93 CO 0.00 0.44 0.83 -0.69 -2.88 0.00 0.00 179.24 176.94 3h6i s VAL 94 N -3.59 4.59 0.17 2.25 1.01 -1.15 -4.92 120.40 118.75 3h6i s VAL 94 Ca -0.00 1.88 0.03 0.00 0.00 0.00 0.00 61.98 63.88 3h6i s VAL 94 Cb 0.11 -4.36 -0.05 0.00 0.00 0.00 0.00 36.38 32.09 3h6i s VAL 94 CO 0.71 -0.33 -0.03 0.42 0.00 0.00 0.00 175.10 175.87 3h6i s THR 95 N 3.44 0.88 0.21 3.92 -4.23 -1.26 -4.96 115.64 113.63 3h6i s THR 95 Ca 0.45 -2.01 -0.07 0.00 -1.18 0.00 0.00 61.69 58.88 3h6i s THR 95 Cb -0.14 -2.06 0.13 0.00 1.34 0.00 0.00 72.50 71.78 3h6i s THR 95 CO 0.11 -0.55 1.74 1.23 -0.54 0.00 0.00 174.62 176.62 3h6i h GLY 96 N 2.69 1.23 0.56 3.99 0.00 -1.94 -1.78 103.07 107.81 3h6i h GLY 96 Ca -0.37 -0.73 0.05 0.00 0.00 0.00 0.00 47.33 46.28 3h6i h GLY 96 CO 0.63 0.68 0.08 -0.09 0.00 0.00 0.00 176.54 177.85 3h6i h ARG 97 N 1.09 0.20 -0.10 4.80 2.43 -1.96 0.25 114.38 121.08 3h6i h ARG 97 Ca 0.23 -0.01 -0.00 0.00 -0.81 0.00 0.00 59.98 59.39 3h6i h ARG 97 Cb 0.32 -0.04 -0.00 0.00 -0.42 0.00 0.00 29.97 29.82 3h6i h ARG 97 CO -0.01 0.13 0.06 0.37 -1.51 0.00 0.00 179.97 179.01 3h6i h GLN 98 N 0.20 0.14 -0.48 0.20 4.15 -1.86 0.58 115.11 118.05 3h6i h GLN 98 Ca 0.18 -0.02 -0.09 0.00 0.77 0.00 0.00 58.65 59.49 3h6i h GLN 98 Cb 0.20 -0.03 -0.02 0.00 0.21 0.00 0.00 27.48 27.84 3h6i h GLN 98 CO -0.23 0.16 -0.08 -0.07 -1.93 0.00 0.00 178.83 176.68 3h6i h LEU 99 N 0.08 0.84 -0.50 -2.39 3.38 -0.90 -1.39 115.31 114.43 3h6i h LEU 99 Ca 0.04 -0.25 -0.05 0.00 0.09 0.00 0.00 57.88 57.71 3h6i h LEU 99 Cb 0.06 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.56 3h6i h LEU 99 CO -0.01 0.95 0.13 0.00 0.09 0.00 0.00 178.44 179.61 3h6i h ALA 100 N 1.13 0.66 -0.41 1.53 0.00 -0.25 -0.88 119.26 121.04 3h6i h ALA 100 Ca 0.13 -0.20 0.02 0.00 0.00 0.00 0.00 54.91 54.86 3h6i h ALA 100 Cb 0.58 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 18.15 3h6i h ALA 100 CO 0.04 0.34 0.23 -0.97 0.00 0.00 0.00 179.25 178.89 3h6i h ASN 101 N 0.68 0.37 -0.60 0.00 -0.73 -0.60 -0.35 115.58 114.35 3h6i h ASN 101 Ca 0.16 0.01 -0.05 0.00 1.87 0.00 0.00 56.30 58.28 3h6i h ASN 101 Cb 0.31 -0.07 -0.03 0.00 0.27 0.00 0.00 38.32 38.81 3h6i h ASN 101 CO -0.00 0.26 0.18 0.58 -0.37 0.00 0.00 177.43 178.09 3h6i h VAL 102 N 0.47 1.24 -0.40 2.57 2.07 -0.85 -1.50 116.25 119.84 3h6i h VAL 102 Ca 0.16 -0.85 -0.13 0.00 0.82 0.00 0.00 66.70 66.70 3h6i h VAL 102 Cb 0.02 0.56 -0.01 0.00 -1.52 0.00 0.00 31.29 30.34 3h6i h VAL 102 CO -0.08 0.33 -0.27 1.88 0.02 0.00 0.00 177.57 179.44 3h6i h TYR 103 N 0.94 1.00 -0.62 1.57 0.05 -0.66 -0.99 116.97 118.26 3h6i h TYR 103 Ca 0.21 -0.25 -0.00 0.00 0.05 0.00 0.00 58.73 58.73 3h6i h TYR 103 Cb 0.29 -0.23 -0.03 0.00 1.01 0.00 0.00 36.73 37.77 3h6i h TYR 103 CO 0.02 1.03 0.39 0.00 -1.05 0.00 0.00 178.16 178.55 3h6i h ALA 104 N 0.95 0.79 -0.22 3.88 0.00 -0.59 0.56 119.26 124.64 3h6i h ALA 104 Ca 0.09 -0.07 -0.04 0.00 0.00 0.00 0.00 54.91 54.89 3h6i h ALA 104 Cb 0.83 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 3h6i h ALA 104 CO 0.07 0.26 -0.00 1.96 0.00 0.00 0.00 179.25 181.54 3h6i h GLN 105 N 0.84 0.39 -0.08 0.00 1.08 -1.17 -0.65 115.11 115.52 3h6i h GLN 105 Ca 0.22 -0.12 -0.01 0.00 -1.45 0.00 0.00 58.65 57.29 3h6i h GLN 105 Cb -0.04 -0.03 -0.00 0.00 -0.05 0.00 0.00 27.48 27.35 3h6i h GLN 105 CO -0.04 0.58 0.03 1.15 -0.95 0.00 0.00 178.83 179.59 3h6i h THR 106 N 0.15 1.17 -0.52 -0.54 2.02 -0.69 -1.17 112.91 113.32 3h6i h THR 106 Ca 0.06 -0.51 -0.08 0.00 0.77 0.00 0.00 66.41 66.65 3h6i h THR 106 Cb 0.40 1.36 -0.02 0.00 -1.74 0.00 0.00 68.15 68.15 3h6i h THR 106 CO 0.01 0.15 -0.00 -0.07 0.37 0.00 0.00 175.52 175.97 3h6i h LEU 107 N -0.05 0.85 -0.87 2.58 3.38 0.11 -1.73 115.31 119.57 3h6i h LEU 107 Ca 0.03 -0.22 -0.02 0.00 0.09 0.00 0.00 57.88 57.75 3h6i h LEU 107 Cb 0.21 -0.23 -0.04 0.00 0.09 0.00 0.00 40.66 40.69 3h6i h LEU 107 CO -0.00 0.92 0.45 1.23 0.09 0.00 0.00 178.44 181.13 3h6i h GLY 108 N 0.99 1.32 1.09 0.83 0.00 -0.98 0.52 103.07 106.83 3h6i h GLY 108 Ca 0.15 -0.62 -0.15 0.00 0.00 0.00 0.00 47.33 46.71 3h6i h GLY 108 CO 0.02 0.60 -0.34 -0.84 0.00 0.00 0.00 176.54 175.98 3h6i h THR 109 N 1.23 1.28 -0.08 4.70 2.02 -0.93 -2.31 112.91 118.82 3h6i h THR 109 Ca 0.30 -1.51 -0.00 0.00 0.77 0.00 0.00 66.41 65.97 3h6i h THR 109 Cb 0.07 1.39 -0.00 0.00 -1.74 0.00 0.00 68.15 67.87 3h6i h THR 109 CO -0.04 0.50 0.03 0.40 0.37 0.00 0.00 175.52 176.78 3h6i h ILE 110 N 0.70 1.14 -0.31 3.11 2.04 -0.71 -0.62 117.51 122.86 3h6i h ILE 110 Ca 0.06 -0.42 -0.01 0.00 1.00 0.00 0.00 64.86 65.49 3h6i h ILE 110 Cb 0.92 1.29 -0.01 0.00 -0.74 0.00 0.00 36.82 38.28 3h6i h ILE 110 CO 0.09 0.12 0.15 0.15 0.00 0.00 0.00 178.15 178.65 3h6i h PHE 111 N -0.04 0.46 -0.21 1.37 3.57 -0.88 0.38 116.94 121.60 3h6i h PHE 111 Ca 0.03 -0.02 -0.18 0.00 3.53 0.00 0.00 57.97 61.32 3h6i h PHE 111 Cb 0.17 -0.14 0.00 0.00 2.79 0.00 0.00 35.95 38.77 3h6i h PHE 111 CO -0.02 0.41 -0.58 1.15 -2.23 0.00 0.00 178.31 177.04 3h6i h THR 112 N 0.37 1.30 -0.01 4.41 2.02 -1.48 -3.40 112.91 116.11 3h6i h THR 112 Ca 0.11 -1.79 0.00 0.00 0.77 0.00 0.00 66.41 65.50 3h6i h THR 112 Cb 0.13 1.85 0.00 0.00 -1.74 0.00 0.00 68.15 68.39 3h6i h THR 112 CO -0.01 0.57 -0.24 1.21 0.37 0.00 0.00 175.52 177.42 3h6i n GLU 113 N -4.07 1.64 -3.99 6.66 4.07 -0.24 -5.02 120.64 119.69 3h6i n GLU 113 Ca -0.06 -0.90 -0.22 0.00 -0.06 0.00 0.00 57.16 55.92 3h6i n GLU 113 Cb 0.64 -1.24 -0.02 0.00 -0.06 0.00 0.00 31.44 30.75 3h6i n GLU 113 CO 0.00 0.00 0.00 -0.65 -0.06 0.00 0.00 177.13 176.42 3h6i s GLN 114 N -1.67 3.37 0.00 5.31 -0.21 0.11 -4.98 119.66 121.59 3h6i s GLN 114 Ca 0.13 -0.78 0.11 0.00 0.02 0.00 0.00 55.36 54.84 3h6i s GLN 114 Cb 0.12 -2.85 0.55 0.00 1.00 0.00 0.00 33.01 31.83 3h6i s GLN 114 CO 0.33 0.44 1.28 0.00 -2.12 0.00 0.00 175.29 175.22 3h6i n ALA 115 N -1.28 1.65 -3.65 6.09 0.00 -1.26 -4.58 120.51 117.48 3h6i n ALA 115 Ca -0.09 -0.05 -0.09 0.00 0.00 0.00 0.00 53.44 53.21 3h6i n ALA 115 Cb 0.57 -1.18 -0.09 0.00 0.00 0.00 0.00 19.45 18.75 3h6i n ALA 115 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 3h6i s LYS 116 N -2.66 0.56 0.76 0.00 2.20 -1.26 -5.16 119.74 114.17 3h6i s LYS 116 Ca 0.10 0.98 -0.11 0.00 -0.36 0.00 0.00 55.97 56.58 3h6i s LYS 116 Cb 0.08 0.08 0.05 0.00 -1.51 0.00 0.00 37.83 36.52 3h6i s LYS 116 CO 0.18 -0.15 1.10 -1.25 -0.36 0.00 0.00 175.35 174.87 3h6i s PRO 117 N 1.42 2.37 0.04 4.03 0.04 -1.26 -4.82 135.00 136.81 3h6i s PRO 117 Ca -0.09 0.55 -0.30 0.00 0.04 0.00 0.00 61.00 61.20 3h6i s PRO 117 Cb -0.07 -1.96 -0.04 0.00 0.04 0.00 0.00 34.50 32.48 3h6i s PRO 117 CO -0.15 -1.40 1.00 0.71 0.04 0.00 0.00 177.00 177.20 3h6i s TYR 118 N -3.25 3.67 -1.32 0.56 1.51 -1.26 -4.90 117.35 112.36 3h6i s TYR 118 Ca 0.60 1.67 -0.09 0.00 -1.01 0.00 0.00 57.07 58.24 3h6i s TYR 118 Cb -0.13 -3.14 0.14 0.00 -0.11 0.00 0.00 41.96 38.71 3h6i s TYR 118 CO 0.53 -0.13 2.03 0.39 -1.11 0.00 0.00 175.55 177.27 3h6i n GLU 119 N 3.59 3.69 -4.01 -0.62 1.02 -1.26 -4.73 120.64 118.33 3h6i n GLU 119 Ca 0.05 -3.37 -0.08 0.00 -0.02 0.00 0.00 57.16 53.75 3h6i n GLU 119 Cb 0.50 -2.91 -0.09 0.00 -0.02 0.00 0.00 31.44 28.92 3h6i n GLU 119 CO 0.00 0.00 0.00 0.14 1.18 0.00 0.00 177.13 178.45 3h6i s VAL 120 N 0.51 0.17 -0.02 2.62 -7.23 -1.26 -1.13 120.40 114.06 3h6i s VAL 120 Ca 0.44 -1.58 0.01 0.00 -1.81 0.00 0.00 61.98 59.04 3h6i s VAL 120 Cb 0.12 -1.54 0.01 0.00 0.56 0.00 0.00 36.38 35.53 3h6i s VAL 120 CO -0.02 -0.77 -0.01 -0.70 -0.31 0.00 0.00 175.10 173.29 3h6i s GLU 121 N -3.92 0.25 0.04 4.82 2.12 -0.64 -3.10 118.70 118.27 3h6i s GLU 121 Ca 0.09 -0.00 0.08 0.00 0.36 0.00 0.00 54.97 55.50 3h6i s GLU 121 Cb 0.07 -0.34 -0.03 0.00 0.26 0.00 0.00 34.13 34.09 3h6i s GLU 121 CO -0.08 -0.05 -0.22 -0.51 -0.54 0.00 0.00 175.26 173.86 3h6i s LEU 122 N 0.51 2.16 -0.08 2.70 1.02 -0.19 -2.23 118.68 122.58 3h6i s LEU 122 Ca -0.05 -0.54 0.03 0.00 0.02 0.00 0.00 54.13 53.59 3h6i s LEU 122 Cb -0.08 -1.07 0.01 0.00 0.02 0.00 0.00 46.19 45.07 3h6i s LEU 122 CO -0.01 0.19 -0.17 0.00 0.02 0.00 0.00 176.35 176.38 3h6i s VAL 124 N 0.58 2.35 0.18 0.00 1.01 0.62 -1.52 120.40 123.62 3h6i s VAL 124 Ca -0.15 -0.90 0.09 0.00 0.00 0.00 0.00 61.98 61.03 3h6i s VAL 124 Cb -0.17 -1.95 -0.04 0.00 0.00 0.00 0.00 36.38 34.22 3h6i s VAL 124 CO 0.05 0.54 -0.20 0.00 0.00 0.00 0.00 175.10 175.49 3h6i s ALA 125 N 0.61 2.21 -0.07 5.51 0.00 -0.60 -0.88 121.76 128.54 3h6i s ALA 125 Ca -0.11 -1.57 -0.05 0.00 0.00 0.00 0.00 51.96 50.23 3h6i s ALA 125 Cb -0.16 -0.22 0.02 0.00 0.00 0.00 0.00 23.12 22.76 3h6i s ALA 125 CO 0.03 0.28 0.17 -2.00 0.00 0.00 0.00 175.76 174.24 3h6i s GLU 126 N -2.88 0.18 0.43 0.00 2.12 -0.44 -0.65 118.70 117.47 3h6i s GLU 126 Ca 0.19 0.29 0.07 0.00 0.36 0.00 0.00 54.97 55.87 3h6i s GLU 126 Cb -0.06 0.03 -0.05 0.00 0.26 0.00 0.00 34.13 34.31 3h6i s GLU 126 CO 0.08 -0.06 0.16 0.14 -0.54 0.00 0.00 175.26 175.04 3h6i s VAL 127 N 0.40 2.13 0.77 3.70 -7.23 -1.08 -0.93 120.40 118.16 3h6i s VAL 127 Ca -0.03 -1.74 -0.11 0.00 -1.81 0.00 0.00 61.98 58.29 3h6i s VAL 127 Cb -0.04 -2.87 0.06 0.00 0.56 0.00 0.00 36.38 34.09 3h6i s VAL 127 CO -0.02 0.00 1.10 0.00 -0.31 0.00 0.00 175.10 175.88 3h6i s ALA 128 N -2.65 2.18 0.72 1.32 0.00 -1.26 -4.85 121.76 117.22 3h6i s ALA 128 Ca 0.37 0.37 -0.11 0.00 0.00 0.00 0.00 51.96 52.59 3h6i s ALA 128 Cb 0.04 -3.31 0.02 0.00 0.00 0.00 0.00 23.12 19.87 3h6i s ALA 128 CO 0.20 -1.83 1.07 -1.01 0.00 0.00 0.00 175.76 174.19 3h6i s HIS 129 N -2.76 3.01 0.19 0.00 3.76 -1.26 -4.81 115.29 113.42 3h6i s HIS 129 Ca 0.63 1.41 -0.33 0.00 -0.15 0.00 0.00 55.06 56.62 3h6i s HIS 129 Cb -0.19 -2.93 -0.14 0.00 1.11 0.00 0.00 32.58 30.44 3h6i s HIS 129 CO 0.54 -1.37 1.55 0.98 -0.85 0.00 0.00 174.74 175.59 3h6i n TYR 130 N -3.22 2.31 -1.00 1.40 9.36 -1.26 -2.03 117.16 122.71 3h6i n TYR 130 Ca 0.08 0.29 -0.00 0.00 3.32 0.00 0.00 57.90 61.59 3h6i n TYR 130 Cb 0.54 -2.54 -0.00 0.00 -0.63 0.00 0.00 39.34 36.71 3h6i n TYR 130 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 3h6i n GLY 131 N 3.12 0.40 3.62 2.98 0.00 -1.26 -5.02 105.19 109.03 3h6i n GLY 131 Ca 0.15 -0.01 -0.25 0.00 0.00 0.00 0.00 46.02 45.92 3h6i n GLY 131 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3h6i s GLU 132 N -0.43 2.22 -0.30 1.61 2.02 -0.86 -5.10 118.70 117.85 3h6i s GLU 132 Ca 0.00 -1.33 0.03 0.00 0.02 0.00 0.00 54.97 53.69 3h6i s GLU 132 Cb 0.00 -2.18 0.08 0.00 0.10 0.00 0.00 34.13 32.13 3h6i s GLU 132 CO 0.00 0.40 -0.02 0.95 0.02 0.00 0.00 175.26 176.61 3h6i s THR 133 N -2.05 2.26 -0.07 3.63 -4.23 -1.26 -4.75 115.64 109.18 3h6i s THR 133 Ca 0.29 -2.01 -0.05 0.00 -1.18 0.00 0.00 61.69 58.74 3h6i s THR 133 Cb -0.08 -2.52 0.02 0.00 1.34 0.00 0.00 72.50 71.27 3h6i s THR 133 CO 0.18 -0.34 0.17 -0.75 -0.54 0.00 0.00 174.62 173.34 3h6i s LYS 134 N 1.00 0.18 0.22 3.99 2.20 -1.26 -5.11 119.74 120.96 3h6i s LYS 134 Ca 0.02 0.27 -0.30 0.00 -0.36 0.00 0.00 55.97 55.60 3h6i s LYS 134 Cb -0.20 0.04 -0.09 0.00 -1.51 0.00 0.00 37.83 36.08 3h6i s LYS 134 CO -0.06 -0.05 1.17 1.03 -0.36 0.00 0.00 175.35 177.07 3h6i s ARG 135 N 0.32 4.53 0.45 4.03 0.52 -1.26 -4.39 118.95 123.15 3h6i s ARG 135 Ca -0.02 1.86 -0.24 0.00 -0.52 0.00 0.00 55.73 56.81 3h6i s ARG 135 Cb -0.03 -3.22 -0.09 0.00 0.52 0.00 0.00 34.95 32.13 3h6i s ARG 135 CO -0.01 0.00 1.17 -2.30 0.02 0.00 0.00 175.30 174.18 3h6i n PRO 136 N 2.04 1.63 -4.85 3.54 -0.02 -1.26 -4.85 135.00 131.22 3h6i n PRO 136 Ca 0.02 0.58 -0.33 0.00 -2.02 0.00 0.00 63.50 61.76 3h6i n PRO 136 Cb 0.45 -2.27 -0.13 0.00 -0.02 0.00 0.00 33.50 31.53 3h6i n PRO 136 CO 0.00 0.00 0.00 -1.21 1.98 0.00 0.00 175.50 176.27 3h6i s GLU 137 N -2.25 2.59 -0.06 -0.52 2.02 -0.10 -4.98 118.70 115.40 3h6i s GLU 137 Ca 0.64 -0.68 0.01 0.00 0.02 0.00 0.00 54.97 54.96 3h6i s GLU 137 Cb -0.51 -2.42 0.02 0.00 0.10 0.00 0.00 34.13 31.32 3h6i s GLU 137 CO 0.56 0.60 -0.05 -0.51 0.02 0.00 0.00 175.26 175.87 3h6i s LEU 138 N -0.66 1.26 -0.01 1.80 1.02 -1.24 -1.33 118.68 119.53 3h6i s LEU 138 Ca 0.10 -0.17 0.05 0.00 0.02 0.00 0.00 54.13 54.13 3h6i s LEU 138 Cb -0.11 -0.55 -0.01 0.00 0.02 0.00 0.00 46.19 45.54 3h6i s LEU 138 CO 0.01 -0.07 -0.17 -0.31 0.02 0.00 0.00 176.35 175.84 3h6i s TYR 139 N 1.10 1.51 -0.07 0.29 1.51 -0.05 -1.85 117.35 119.78 3h6i s TYR 139 Ca -0.08 -0.29 0.03 0.00 -1.01 0.00 0.00 57.07 55.73 3h6i s TYR 139 Cb -0.14 -0.97 0.00 0.00 -0.11 0.00 0.00 41.96 40.75 3h6i s TYR 139 CO -0.01 -0.02 -0.17 -0.98 -1.11 0.00 0.00 175.55 173.26 3h6i s ARG 140 N -0.42 2.13 -0.10 -0.62 1.70 -1.02 -0.28 118.95 120.34 3h6i s ARG 140 Ca 0.06 -0.61 0.01 0.00 -0.47 0.00 0.00 55.73 54.72 3h6i s ARG 140 Cb -0.07 -1.72 -0.02 0.00 -0.57 0.00 0.00 34.95 32.57 3h6i s ARG 140 CO -0.01 0.14 -0.12 0.42 -1.08 0.00 0.00 175.30 174.66 3h6i s ILE 141 N 0.38 3.23 0.34 4.99 1.09 0.20 -2.02 121.20 129.41 3h6i s ILE 141 Ca -0.13 -0.62 0.07 0.00 -1.10 0.00 0.00 60.65 58.87 3h6i s ILE 141 Cb -0.15 -2.33 -0.02 0.00 -1.06 0.00 0.00 42.46 38.90 3h6i s ILE 141 CO 0.05 0.55 0.39 0.42 -0.10 0.00 0.00 174.94 176.25 3h6i s THR 142 N -0.10 3.83 0.60 2.92 -4.23 0.19 -1.02 115.64 117.84 3h6i s THR 142 Ca -0.01 -1.17 0.27 0.00 -1.18 0.00 0.00 61.69 59.61 3h6i s THR 142 Cb -0.14 -3.31 0.39 0.00 1.34 0.00 0.00 72.50 70.78 3h6i s THR 142 CO 0.03 -0.16 1.47 0.10 -0.54 0.00 0.00 174.62 175.52 3h6i h TYR 143 N 1.05 0.00 -0.02 3.99 -0.00 -1.83 0.12 116.97 120.29 3h6i h TYR 143 Ca -0.45 0.00 0.00 0.00 -0.00 0.00 0.00 58.73 58.28 3h6i h TYR 143 Cb 1.26 0.00 0.00 0.00 -0.00 0.00 0.00 36.73 37.99 3h6i h TYR 143 CO 0.47 0.00 -0.39 -0.40 -0.00 0.00 0.00 178.16 177.84 3h6i n ASP 144 N -3.35 2.19 0.00 0.10 5.75 -1.26 -4.52 116.55 115.46 3h6i n ASP 144 Ca 0.19 -1.60 0.00 0.00 -0.01 0.00 0.00 54.79 53.37 3h6i n ASP 144 Cb 1.29 0.39 0.00 0.00 -1.03 0.00 0.00 41.12 41.77 3h6i n ASP 144 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3h6i n GLY 145 N 1.41 0.99 3.72 6.12 0.00 0.42 -4.14 105.19 113.71 3h6i n GLY 145 Ca 0.10 -0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.70 3h6i n GLY 145 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3h6i s SER 146 N -2.00 7.37 -0.05 1.61 0.01 -1.25 -4.73 113.70 114.65 3h6i s SER 146 Ca 0.00 1.77 0.06 0.00 1.31 0.00 0.00 55.95 59.08 3h6i s SER 146 Cb 0.00 -2.58 -0.01 0.00 0.21 0.00 0.00 66.02 63.64 3h6i s SER 146 CO 0.00 -0.23 -0.23 -0.51 0.41 0.00 0.00 173.24 172.69 3h6i s ILE 147 N 0.65 1.86 -0.02 1.44 2.07 -1.26 -0.64 121.20 125.30 3h6i s ILE 147 Ca 0.51 -0.96 0.05 0.00 -1.41 0.00 0.00 60.65 58.84 3h6i s ILE 147 Cb -0.23 -1.58 -0.01 0.00 0.13 0.00 0.00 42.46 40.77 3h6i s ILE 147 CO 0.29 0.52 -0.16 0.00 -1.91 0.00 0.00 174.94 173.68 3h6i s ALA 148 N -0.10 1.33 -0.45 1.50 0.00 -0.86 -5.00 121.76 118.18 3h6i s ALA 148 Ca -0.04 -0.68 -0.16 0.00 0.00 0.00 0.00 51.96 51.09 3h6i s ALA 148 Cb -0.13 -0.35 0.05 0.00 0.00 0.00 0.00 23.12 22.69 3h6i s ALA 148 CO 0.03 0.32 0.39 0.34 0.00 0.00 0.00 175.76 176.84 3h6i s ASP 149 N -0.33 6.15 -0.20 0.00 -1.08 -1.26 -2.42 116.67 117.53 3h6i s ASP 149 Ca 0.05 -1.06 -0.10 0.00 -0.52 0.00 0.00 52.55 50.92 3h6i s ASP 149 Cb -0.07 -2.19 -0.05 0.00 -1.46 0.00 0.00 42.92 39.15 3h6i s ASP 149 CO -0.00 -0.60 0.12 -1.61 0.52 0.00 0.00 175.17 173.60 3h6i s GLU 150 N 1.82 4.13 0.32 4.34 0.41 -0.77 -5.02 118.70 123.92 3h6i s GLU 150 Ca 0.06 -0.25 0.22 0.00 -0.41 0.00 0.00 54.97 54.60 3h6i s GLU 150 Cb -0.21 -3.39 0.16 0.00 -1.78 0.00 0.00 34.13 28.91 3h6i s GLU 150 CO 0.09 0.27 1.33 -1.00 -0.49 0.00 0.00 175.26 175.46 3h6i h PRO 151 N 6.77 0.00 0.00 0.39 0.13 -1.94 -3.27 132.00 134.08 3h6i h PRO 151 Ca -0.40 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 64.69 3h6i h PRO 151 Cb 1.16 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.28 3h6i h PRO 151 CO 0.74 0.03 -1.11 0.72 -0.23 0.00 0.00 178.00 178.15 3h6i n HIS 152 N -2.92 0.00 -3.76 1.56 8.25 -1.26 -4.87 115.22 112.22 3h6i n HIS 152 Ca 0.02 0.00 -0.10 0.00 -0.26 0.00 0.00 57.72 57.38 3h6i n HIS 152 Cb 0.56 -0.10 -0.05 0.00 1.12 0.00 0.00 29.99 31.52 3h6i n HIS 152 CO 0.00 0.00 0.00 -0.59 0.64 0.00 0.00 176.34 176.39 3h6i s PHE 153 N -2.05 -0.01 -0.02 4.41 -0.12 -1.26 -1.86 117.98 117.06 3h6i s PHE 153 Ca -0.04 -0.33 0.02 0.00 -0.05 0.00 0.00 56.93 56.53 3h6i s PHE 153 Cb 0.01 0.21 0.00 0.00 -0.63 0.00 0.00 43.02 42.61 3h6i s PHE 153 CO 0.05 -0.76 -0.06 0.08 -0.05 0.00 0.00 175.22 174.47 3h6i s VAL 154 N -3.87 0.57 -0.06 -2.49 1.01 0.34 -4.88 120.40 111.02 3h6i s VAL 154 Ca 0.08 -0.26 0.02 0.00 0.00 0.00 0.00 61.98 61.83 3h6i s VAL 154 Cb 0.01 -0.51 0.01 0.00 0.00 0.00 0.00 36.38 35.90 3h6i s VAL 154 CO -0.06 0.18 -0.11 -0.69 0.00 0.00 0.00 175.10 174.42 3h6i s VAL 155 N 0.17 1.07 0.03 2.92 1.01 -1.26 -1.26 120.40 123.07 3h6i s VAL 155 Ca -0.02 -0.44 0.01 0.00 0.00 0.00 0.00 61.98 61.53 3h6i s VAL 155 Cb -0.07 -0.99 -0.02 0.00 0.00 0.00 0.00 36.38 35.30 3h6i s VAL 155 CO -0.00 0.34 -0.05 -0.04 0.00 0.00 0.00 175.10 175.35 3h6i s MET 156 N 0.72 0.40 0.14 2.72 -1.94 0.92 -5.00 119.30 117.26 3h6i s MET 156 Ca -0.14 -0.65 0.00 0.00 -1.71 0.00 0.00 55.69 53.19 3h6i s MET 156 Cb -0.16 -0.09 0.00 0.00 2.01 0.00 0.00 34.83 36.60 3h6i s MET 156 CO 0.03 0.00 0.00 0.41 -0.01 0.00 0.00 175.02 175.45 3h6i n GLY 157 N 1.61 -3.08 7.00 -0.03 0.00 -1.26 -0.07 105.19 109.37 3h6i n GLY 157 Ca -0.23 -1.20 0.00 0.00 0.00 0.00 0.00 46.02 44.59 3h6i n GLY 157 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3h6i n GLY 158 N -1.82 1.76 3.29 -0.02 0.00 -0.69 -4.22 105.19 103.49 3h6i n GLY 158 Ca -0.00 -0.62 -0.45 0.00 0.00 0.00 0.00 46.02 44.95 3h6i n GLY 158 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3h6i s THR 159 N 0.00 5.00 0.13 2.61 -4.23 -1.26 -4.32 115.64 113.57 3h6i s THR 159 Ca 0.00 -1.65 -0.11 0.00 -1.18 0.00 0.00 61.69 58.75 3h6i s THR 159 Cb 0.00 -4.21 -0.10 0.00 1.34 0.00 0.00 72.50 69.52 3h6i s THR 159 CO 0.00 -0.86 1.39 0.71 -0.54 0.00 0.00 174.62 175.32 3h6i h THR 160 N 5.86 1.28 -0.54 3.99 1.35 -1.95 -3.39 112.91 119.50 3h6i h THR 160 Ca -0.25 -1.81 0.11 0.00 -0.55 0.00 0.00 66.41 63.91 3h6i h THR 160 Cb 1.09 1.74 -0.10 0.00 -1.73 0.00 0.00 68.15 69.15 3h6i h THR 160 CO 0.98 0.58 -0.09 -0.33 -0.25 0.00 0.00 175.52 176.41 3h6i h GLU 161 N 0.61 0.03 0.00 4.72 3.07 -1.96 0.16 114.58 121.21 3h6i h GLU 161 Ca -0.01 -0.00 -0.07 0.00 -0.50 0.00 0.00 59.36 58.78 3h6i h GLU 161 Cb 1.22 -0.01 -0.01 0.00 -0.84 0.00 0.00 28.75 29.12 3h6i h GLU 161 CO 0.13 0.02 -0.35 -1.00 -1.40 0.00 0.00 179.01 176.41 3h6i h PRO 162 N 0.03 0.00 0.07 2.33 0.13 -1.99 -0.73 132.00 131.85 3h6i h PRO 162 Ca 0.27 0.00 -0.27 0.00 -0.87 0.00 0.00 66.00 65.13 3h6i h PRO 162 Cb 0.42 0.00 0.01 0.00 0.13 0.00 0.00 31.00 31.56 3h6i h PRO 162 CO -0.53 0.35 -1.13 0.82 -0.23 0.00 0.00 178.00 177.28 3h6i h ILE 163 N 0.00 1.37 -0.35 -3.56 2.04 -1.57 -2.32 117.51 113.11 3h6i h ILE 163 Ca -0.00 -2.56 -0.13 0.00 1.00 0.00 0.00 64.86 63.17 3h6i h ILE 163 Cb 0.70 2.62 -0.01 0.00 -0.74 0.00 0.00 36.82 39.40 3h6i h ILE 163 CO 0.05 0.77 -0.28 0.00 0.00 0.00 0.00 178.15 178.68 3h6i h ALA 164 N 0.51 0.50 -0.27 1.87 0.00 -0.49 -2.66 119.26 118.73 3h6i h ALA 164 Ca -0.14 -0.40 -0.13 0.00 0.00 0.00 0.00 54.91 54.24 3h6i h ALA 164 Cb 1.79 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 19.46 3h6i h ALA 164 CO 0.20 0.52 -0.37 -0.91 0.00 0.00 0.00 179.25 178.70 3h6i h ASN 165 N 0.59 0.64 0.29 0.00 -0.26 -1.19 -1.56 115.58 114.09 3h6i h ASN 165 Ca 0.06 -0.27 -0.07 0.00 -0.56 0.00 0.00 56.30 55.47 3h6i h ASN 165 Cb 0.86 -0.18 -0.01 0.00 -1.06 0.00 0.00 38.32 37.93 3h6i h ASN 165 CO 0.07 0.95 -0.30 0.00 -1.06 0.00 0.00 177.43 177.08 3h6i h ALA 166 N 1.09 1.47 0.21 -0.83 0.00 -1.39 -2.87 119.26 116.95 3h6i h ALA 166 Ca 0.05 -0.28 -0.34 0.00 0.00 0.00 0.00 54.91 54.34 3h6i h ALA 166 Cb 0.87 -0.05 0.02 0.00 0.00 0.00 0.00 17.79 18.63 3h6i h ALA 166 CO 0.07 0.40 -1.57 -0.07 0.00 0.00 0.00 179.25 178.08 3h6i h LEU 167 N 0.02 0.71 -2.00 0.00 3.38 -1.25 -1.60 115.31 114.57 3h6i h LEU 167 Ca 0.00 -0.86 0.17 0.00 0.09 0.00 0.00 57.88 57.28 3h6i h LEU 167 Cb 0.55 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 41.05 3h6i h LEU 167 CO 0.04 1.70 0.44 0.11 0.09 0.00 0.00 178.44 180.81 3h6i h LYS 168 N 0.12 0.00 0.04 1.13 1.57 -1.07 0.61 116.57 118.97 3h6i h LYS 168 Ca -0.28 0.00 -0.29 0.00 -1.87 0.00 0.00 60.65 58.21 3h6i h LYS 168 Cb 2.13 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 34.40 3h6i h LYS 168 CO 0.23 0.00 -1.62 0.39 -0.57 0.00 0.00 179.45 177.88 3h6i n GLU 169 N -4.29 0.63 0.00 3.15 1.02 -1.11 -4.44 120.64 115.60 3h6i n GLU 169 Ca 0.11 0.45 0.13 0.00 -0.02 0.00 0.00 57.16 57.83 3h6i n GLU 169 Cb 0.68 -1.71 0.43 0.00 -0.02 0.00 0.00 31.44 30.82 3h6i n GLU 169 CO 0.00 0.00 0.00 -1.13 1.18 0.00 0.00 177.13 177.18 3h6i n SER 170 N -4.10 1.10 -4.68 1.62 3.41 -0.60 -4.94 113.62 105.43 3h6i n SER 170 Ca -0.34 -1.02 -0.42 0.00 -0.26 0.00 0.00 58.87 56.82 3h6i n SER 170 Cb 0.82 0.09 -0.03 0.00 -0.26 0.00 0.00 64.21 64.83 3h6i n SER 170 CO 0.00 0.00 0.00 -0.47 -0.16 0.00 0.00 175.04 174.41 3h6i s TYR 171 N -2.37 3.14 -0.15 7.33 5.04 0.21 -4.99 117.35 125.56 3h6i s TYR 171 Ca 0.28 1.19 0.02 0.00 -2.44 0.00 0.00 57.07 56.12 3h6i s TYR 171 Cb 0.20 -3.43 0.01 0.00 0.35 0.00 0.00 41.96 39.10 3h6i s TYR 171 CO 0.47 -1.33 -0.20 0.00 -1.34 0.00 0.00 175.55 173.15 3h6i s ALA 172 N 2.49 2.19 0.54 3.97 0.00 -1.26 -5.01 121.76 124.67 3h6i s ALA 172 Ca 0.55 -1.08 -0.19 0.00 0.00 0.00 0.00 51.96 51.24 3h6i s ALA 172 Cb -0.24 -1.03 -0.06 0.00 0.00 0.00 0.00 23.12 21.79 3h6i s ALA 172 CO 0.20 -0.14 1.11 -1.21 0.00 0.00 0.00 175.76 175.72 3h6i s GLU 173 N 1.00 3.42 -1.76 0.00 2.02 -1.26 -3.55 118.70 118.57 3h6i s GLU 173 Ca -0.03 1.53 0.00 0.00 0.02 0.00 0.00 54.97 56.49 3h6i s GLU 173 Cb -0.15 -2.02 0.00 0.00 0.10 0.00 0.00 34.13 32.06 3h6i s GLU 173 CO -0.05 -0.78 0.00 0.09 0.02 0.00 0.00 175.26 174.54 3h6i n ASN 174 N -1.31 -4.88 -4.73 -0.19 4.13 -1.26 -4.97 115.26 102.05 3h6i n ASN 174 Ca 0.11 0.30 -0.35 0.00 1.68 0.00 0.00 54.58 56.32 3h6i n ASN 174 Cb 0.51 -4.27 0.08 0.00 -1.54 0.00 0.00 39.78 34.57 3h6i n ASN 174 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3h6i s ALA 175 N -2.65 2.20 1.09 5.41 0.00 -1.23 -4.20 121.76 122.38 3h6i s ALA 175 Ca 0.00 0.95 -0.16 0.00 0.00 0.00 0.00 51.96 52.75 3h6i s ALA 175 Cb 0.00 -3.48 0.23 0.00 0.00 0.00 0.00 23.12 19.87 3h6i s ALA 175 CO 0.00 -1.76 1.13 -1.54 0.00 0.00 0.00 175.76 173.58 3h6i s SER 176 N -1.88 1.89 0.04 0.00 1.04 -1.26 -1.44 113.70 112.09 3h6i s SER 176 Ca 0.76 0.79 -0.26 0.00 0.48 0.00 0.00 55.95 57.72 3h6i s SER 176 Cb -0.31 -1.18 -0.17 0.00 0.10 0.00 0.00 66.02 64.46 3h6i s SER 176 CO 0.43 -3.54 1.48 0.25 0.98 0.00 0.00 173.24 172.84 3h6i h LEU 177 N -2.18 -0.29 -0.85 2.42 5.85 -1.99 -1.16 115.31 117.10 3h6i h LEU 177 Ca -0.49 -0.12 0.04 0.00 0.84 0.00 0.00 57.88 58.16 3h6i h LEU 177 Cb 1.31 0.08 -0.05 0.00 0.37 0.00 0.00 40.66 42.36 3h6i h LEU 177 CO 0.45 -0.06 0.54 0.74 -0.34 0.00 0.00 178.44 179.78 3h6i h THR 178 N -0.53 1.11 -0.15 1.05 2.02 -1.94 -0.72 112.91 113.75 3h6i h THR 178 Ca -0.04 -0.36 -0.06 0.00 0.77 0.00 0.00 66.41 66.73 3h6i h THR 178 Cb 0.39 -0.02 -0.00 0.00 -1.74 0.00 0.00 68.15 66.78 3h6i h THR 178 CO 0.06 0.19 -0.13 0.44 0.37 0.00 0.00 175.52 176.45 3h6i h ASP 179 N 1.04 0.38 -0.71 4.18 3.32 -1.91 -2.86 116.42 119.86 3h6i h ASP 179 Ca 0.35 -0.46 -0.02 0.00 0.02 0.00 0.00 57.03 56.92 3h6i h ASP 179 Cb 0.05 -0.11 -0.03 0.00 0.22 0.00 0.00 39.33 39.46 3h6i h ASP 179 CO -0.13 0.76 0.39 0.00 -1.72 0.00 0.00 179.24 178.54 3h6i h ALA 180 N 0.63 1.31 -0.04 3.45 0.00 -0.80 -1.74 119.26 122.06 3h6i h ALA 180 Ca 0.03 -0.12 -0.00 0.00 0.00 0.00 0.00 54.91 54.82 3h6i h ALA 180 Cb 0.65 -0.29 -0.00 0.00 0.00 0.00 0.00 17.79 18.14 3h6i h ALA 180 CO 0.03 0.56 0.02 1.25 0.00 0.00 0.00 179.25 181.11 3h6i h LEU 181 N 1.02 0.05 -0.85 0.00 5.85 -1.14 -1.87 115.31 118.37 3h6i h LEU 181 Ca 0.26 -0.13 -0.04 0.00 0.84 0.00 0.00 57.88 58.80 3h6i h LEU 181 Cb 0.05 -0.01 -0.04 0.00 0.37 0.00 0.00 40.66 41.03 3h6i h LEU 181 CO -0.04 0.17 0.35 0.03 -0.34 0.00 0.00 178.44 178.61 3h6i h ARG 182 N -0.07 1.19 -0.29 1.25 3.08 -1.24 0.11 114.38 118.41 3h6i h ARG 182 Ca 0.01 -0.20 -0.05 0.00 0.07 0.00 0.00 59.98 59.81 3h6i h ARG 182 Cb 0.13 -0.20 -0.02 0.00 0.08 0.00 0.00 29.97 29.97 3h6i h ARG 182 CO -0.00 0.94 -0.05 0.82 -1.07 0.00 0.00 179.97 180.61 3h6i h ILE 183 N 1.16 1.20 0.09 2.04 2.04 -1.24 -0.91 117.51 121.89 3h6i h ILE 183 Ca 0.27 -0.81 -0.20 0.00 1.00 0.00 0.00 64.86 65.12 3h6i h ILE 183 Cb 0.18 1.04 0.02 0.00 -0.74 0.00 0.00 36.82 37.31 3h6i h ILE 183 CO -0.03 0.27 -0.83 0.00 0.00 0.00 0.00 178.15 177.56 3h6i h ALA 184 N 1.52 -0.02 -0.57 1.87 0.00 -0.46 -2.31 119.26 119.30 3h6i h ALA 184 Ca 0.09 -0.67 -0.08 0.00 0.00 0.00 0.00 54.91 54.26 3h6i h ALA 184 Cb 0.36 0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.21 3h6i h ALA 184 CO 0.02 0.43 0.04 0.28 0.00 0.00 0.00 179.25 180.02 3h6i h VAL 185 N -0.13 1.25 0.65 0.00 2.07 -0.67 -0.12 116.25 119.30 3h6i h VAL 185 Ca -0.13 -1.04 -0.03 0.00 0.82 0.00 0.00 66.70 66.32 3h6i h VAL 185 Cb 1.58 0.77 0.01 0.00 -1.52 0.00 0.00 31.29 32.13 3h6i h VAL 185 CO 0.16 0.38 -0.31 0.00 0.02 0.00 0.00 177.57 177.82 3h6i h ALA 186 N 1.15 -0.87 -0.93 1.67 0.00 -1.25 0.11 119.26 119.13 3h6i h ALA 186 Ca 0.17 -0.21 0.23 0.00 0.00 0.00 0.00 54.91 55.11 3h6i h ALA 186 Cb 0.46 0.34 -0.13 0.00 0.00 0.00 0.00 17.79 18.47 3h6i h ALA 186 CO 0.02 -0.92 0.45 0.00 0.00 0.00 0.00 179.25 178.80 3h6i h ALA 187 N -0.76 1.56 0.34 0.00 0.00 -1.23 -1.30 119.26 117.86 3h6i h ALA 187 Ca -0.09 0.16 -0.02 0.00 0.00 0.00 0.00 54.91 54.96 3h6i h ALA 187 Cb 0.71 0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.62 3h6i h ALA 187 CO 0.15 -0.34 -0.16 -0.07 0.00 0.00 0.00 179.25 178.82 3h6i h LEU 188 N 0.44 -0.38 -1.87 0.00 3.38 -0.63 -3.07 115.31 113.16 3h6i h LEU 188 Ca 0.59 -0.16 0.40 0.00 0.09 0.00 0.00 57.88 58.80 3h6i h LEU 188 Cb 1.14 0.10 -0.06 0.00 0.09 0.00 0.00 40.66 41.94 3h6i h LEU 188 CO -0.52 -0.01 1.07 0.03 0.09 0.00 0.00 178.44 179.10 3h6i h ARG 189 N -0.81 0.00 -0.85 1.13 3.08 0.34 0.46 114.38 117.73 3h6i h ARG 189 Ca -0.05 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.01 3h6i h ARG 189 Cb 0.52 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.53 3h6i h ARG 189 CO 0.08 0.00 0.54 0.00 -1.07 0.00 0.00 179.97 179.52 3h6i h ALA 190 N 1.16 1.08 -0.51 0.04 0.00 -1.31 -3.51 119.26 116.20 3h6i h ALA 190 Ca 0.66 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.49 3h6i h ALA 190 Cb 2.79 -0.34 0.00 0.00 0.00 0.00 0.00 17.79 20.24 3h6i h ALA 190 CO -0.01 0.52 0.00 0.41 0.00 0.00 0.00 179.25 180.17 3h6i n GLY 191 N -1.27 1.66 0.34 0.00 0.00 0.16 -4.99 105.19 101.08 3h6i n GLY 191 Ca 0.09 -0.65 0.07 0.00 0.00 0.00 0.00 46.02 45.53 3h6i n GLY 191 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3h6i n THR 202 N 1.23 -0.39 -3.37 2.61 -2.24 -1.26 -5.09 114.28 105.76 3h6i n THR 202 Ca 0.20 2.14 -0.16 0.00 -2.27 0.00 0.00 64.05 63.95 3h6i n THR 202 Cb 0.51 -2.98 0.08 0.00 -2.10 0.00 0.00 70.33 65.85 3h6i n THR 202 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 3h6i n LEU 203 N -5.51 -4.26 0.00 3.22 4.77 -1.26 -5.07 117.00 108.89 3h6i n LEU 203 Ca 0.16 -0.62 -0.05 0.00 -0.03 0.00 0.00 56.01 55.47 3h6i n LEU 203 Cb 0.51 -3.09 0.03 0.00 -2.33 0.00 0.00 43.42 38.55 3h6i n LEU 203 CO -0.11 0.33 0.15 0.61 -1.33 0.00 0.00 177.39 177.04 3h6i n GLY 204 N -1.15 -0.55 0.35 -0.72 0.00 -1.26 -4.84 105.19 97.03 3h6i n GLY 204 Ca -0.25 -1.78 0.04 0.00 0.00 0.00 0.00 46.02 44.04 3h6i n GLY 204 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3h6i h VAL 205 N -0.91 1.09 -0.49 1.61 2.07 -1.95 -1.12 116.25 116.56 3h6i h VAL 205 Ca -0.08 -0.28 -0.01 0.00 0.82 0.00 0.00 66.70 67.14 3h6i h VAL 205 Cb 0.24 0.18 -0.02 0.00 -1.52 0.00 0.00 31.29 30.16 3h6i h VAL 205 CO 0.06 0.15 0.25 0.00 0.02 0.00 0.00 177.57 178.06 3h6i h ALA 206 N 1.59 1.52 -0.55 1.67 0.00 -1.94 -3.04 119.26 118.50 3h6i h ALA 206 Ca 0.29 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.11 3h6i h ALA 206 Cb 0.10 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.69 3h6i h ALA 206 CO -0.08 0.39 0.00 -1.13 0.00 0.00 0.00 179.25 178.43 3h6i n SER 207 N -4.40 4.21 -4.28 0.00 3.41 -0.47 -4.52 113.62 107.58 3h6i n SER 207 Ca 0.04 -2.38 -0.29 0.00 -0.26 0.00 0.00 58.87 55.98 3h6i n SER 207 Cb 0.11 -0.50 -0.15 0.00 -0.26 0.00 0.00 64.21 63.41 3h6i n SER 207 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 3h6i s LEU 208 N -1.71 2.09 -0.24 1.04 1.43 -0.93 -1.61 118.68 118.76 3h6i s LEU 208 Ca 0.44 -0.48 0.01 0.00 -1.03 0.00 0.00 54.13 53.07 3h6i s LEU 208 Cb 0.28 -1.17 0.04 0.00 0.03 0.00 0.00 46.19 45.37 3h6i s LEU 208 CO 0.22 0.26 -0.11 -0.70 0.23 0.00 0.00 176.35 176.25 3h6i s GLU 209 N -0.81 2.67 -0.01 1.70 2.12 -0.23 -4.79 118.70 119.34 3h6i s GLU 209 Ca 0.09 -1.07 0.06 0.00 0.36 0.00 0.00 54.97 54.41 3h6i s GLU 209 Cb -0.09 -2.86 -0.02 0.00 0.26 0.00 0.00 34.13 31.43 3h6i s GLU 209 CO 0.00 -0.41 -0.18 0.08 -0.54 0.00 0.00 175.26 174.20 3h6i s VAL 210 N 1.24 1.45 0.08 3.70 1.01 -1.26 -0.90 120.40 125.72 3h6i s VAL 210 Ca -0.02 -0.82 -0.26 0.00 0.00 0.00 0.00 61.98 60.89 3h6i s VAL 210 Cb -0.17 -1.21 0.07 0.00 0.00 0.00 0.00 36.38 35.07 3h6i s VAL 210 CO -0.07 0.38 0.62 0.00 0.00 0.00 0.00 175.10 176.04 3h6i s ALA 211 N -0.47 -1.64 0.16 5.51 0.00 -0.72 -1.66 121.76 122.95 3h6i s ALA 211 Ca 0.07 0.79 0.08 0.00 0.00 0.00 0.00 51.96 52.90 3h6i s ALA 211 Cb -0.07 0.54 -0.04 0.00 0.00 0.00 0.00 23.12 23.54 3h6i s ALA 211 CO -0.00 -0.61 -0.17 0.14 0.00 0.00 0.00 175.76 175.11 3h6i s VAL 212 N -2.75 1.74 -0.64 0.00 -7.23 -0.03 -0.14 120.40 111.35 3h6i s VAL 212 Ca -0.04 -1.90 -0.08 0.00 -1.81 0.00 0.00 61.98 58.16 3h6i s VAL 212 Cb -0.01 -1.80 0.17 0.00 0.56 0.00 0.00 36.38 35.30 3h6i s VAL 212 CO -0.04 -0.34 0.50 -0.76 -0.31 0.00 0.00 175.10 174.15 3h6i s LEU 213 N -2.66 5.79 -0.56 1.32 1.43 -0.26 -0.88 118.68 122.87 3h6i s LEU 213 Ca 0.15 -2.54 -0.26 0.00 -1.03 0.00 0.00 54.13 50.44 3h6i s LEU 213 Cb -0.05 -2.00 0.03 0.00 0.03 0.00 0.00 46.19 44.21 3h6i s LEU 213 CO 0.06 -0.52 1.07 -0.62 0.23 0.00 0.00 176.35 176.58 3h6i s ASP 214 N 1.66 6.41 0.00 2.29 2.15 0.71 -1.69 116.67 128.19 3h6i s ASP 214 Ca 0.14 -0.06 0.06 0.00 0.43 0.00 0.00 52.55 53.12 3h6i s ASP 214 Cb -0.19 -2.50 0.32 0.00 -0.30 0.00 0.00 42.92 40.25 3h6i s ASP 214 CO -0.04 -1.35 1.08 0.00 -0.17 0.00 0.00 175.17 174.69 3h6i n ALA 215 N 7.95 1.46 1.12 3.66 0.00 -0.00 -1.42 120.51 133.28 3h6i n ALA 215 Ca 0.06 -0.03 0.12 0.00 0.00 0.00 0.00 53.44 53.59 3h6i n ALA 215 Cb 0.48 -1.10 0.19 0.00 0.00 0.00 0.00 19.45 19.02 3h6i n ALA 215 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 3h6i n ASN 216 N -1.32 1.49 -4.74 0.00 5.15 -1.26 -4.47 115.26 110.11 3h6i n ASN 216 Ca 0.03 -1.18 -0.41 0.00 -0.60 0.00 0.00 54.58 52.42 3h6i n ASN 216 Cb 0.05 0.32 -0.04 0.00 -0.53 0.00 0.00 39.78 39.58 3h6i n ASN 216 CO 0.00 0.00 0.00 -0.13 1.40 0.00 0.00 177.26 178.53 3h6i s ARG 217 N -2.51 4.65 0.12 1.20 1.81 -0.51 -4.98 118.95 118.73 3h6i s ARG 217 Ca 0.21 1.64 -0.18 0.00 -1.72 0.00 0.00 55.73 55.68 3h6i s ARG 217 Cb 0.19 -3.29 -0.04 0.00 -0.45 0.00 0.00 34.95 31.35 3h6i s ARG 217 CO 0.55 0.16 1.68 -1.35 -0.68 0.00 0.00 175.30 175.67 3h6i h PRO 218 N 5.04 0.45 0.00 3.54 0.11 -1.89 -3.41 132.00 135.84 3h6i h PRO 218 Ca -0.44 -0.07 0.00 0.00 0.11 0.00 0.00 66.00 65.60 3h6i h PRO 218 Cb 1.21 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.24 3h6i h PRO 218 CO 0.71 0.44 0.00 -2.13 -0.21 0.00 0.00 178.00 176.81 3h6i n ARG 219 N -4.75 0.00 -2.92 1.05 0.63 -1.26 -4.39 116.66 105.01 3h6i n ARG 219 Ca -0.02 0.00 -0.43 0.00 -0.92 0.00 0.00 57.85 56.48 3h6i n ARG 219 Cb 0.11 -0.24 -0.05 0.00 0.45 0.00 0.00 32.46 32.73 3h6i n ARG 219 CO 0.00 0.00 0.00 1.03 -2.51 0.00 0.00 177.63 176.15 3h6i s ARG 220 N -1.48 3.35 0.28 -0.14 0.52 -1.26 -4.41 118.95 115.80 3h6i s ARG 220 Ca 0.00 -0.25 0.14 0.00 -0.52 0.00 0.00 55.73 55.10 3h6i s ARG 220 Cb 0.00 -4.01 0.23 0.00 0.52 0.00 0.00 34.95 31.70 3h6i s ARG 220 CO 0.00 -1.29 1.52 0.00 0.02 0.00 0.00 175.30 175.55 3h6i h ALA 221 N 9.13 0.74 -2.42 2.13 0.00 -1.29 -3.46 119.26 124.08 3h6i h ALA 221 Ca -0.26 -0.52 -0.54 0.00 0.00 0.00 0.00 54.91 53.60 3h6i h ALA 221 Cb 1.08 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 18.79 3h6i h ALA 221 CO 1.02 0.71 0.91 0.12 0.00 0.00 0.00 179.25 182.01 3h6i s PHE 222 N -3.17 2.67 -0.03 0.00 5.36 -1.26 -0.21 117.98 121.34 3h6i s PHE 222 Ca 0.02 0.58 -0.00 0.00 -0.96 0.00 0.00 56.93 56.56 3h6i s PHE 222 Cb 0.10 -3.81 0.03 0.00 -0.34 0.00 0.00 43.02 38.99 3h6i s PHE 222 CO 0.74 -3.14 0.04 0.50 -1.46 0.00 0.00 175.22 171.90 3h6i s ARG 223 N 2.44 -0.03 0.00 10.12 3.52 -0.06 -4.96 118.95 129.99 3h6i s ARG 223 Ca 0.69 0.21 -0.19 0.00 -0.13 0.00 0.00 55.73 56.31 3h6i s ARG 223 Cb -0.36 -0.25 -0.06 0.00 -1.56 0.00 0.00 34.95 32.73 3h6i s ARG 223 CO 0.29 -0.17 0.54 1.03 -0.81 0.00 0.00 175.30 176.18 3h6i s ARG 224 N 1.12 4.22 -0.40 5.12 0.52 -1.26 -0.85 118.95 127.41 3h6i s ARG 224 Ca -0.09 0.64 -0.04 0.00 -0.52 0.00 0.00 55.73 55.72 3h6i s ARG 224 Cb -0.13 -3.31 0.10 0.00 0.52 0.00 0.00 34.95 32.13 3h6i s ARG 224 CO -0.03 0.47 0.20 0.42 0.02 0.00 0.00 175.30 176.38 3h6i s ILE 225 N -0.47 3.49 0.42 1.52 1.01 -0.66 -4.97 121.20 121.55 3h6i s ILE 225 Ca 0.28 -1.85 0.04 0.00 0.00 0.00 0.00 60.65 59.12 3h6i s ILE 225 Cb -0.18 -3.30 -0.04 0.00 0.01 0.00 0.00 42.46 38.95 3h6i s ILE 225 CO 0.16 -0.60 0.04 0.42 0.00 0.00 0.00 174.94 174.96 3h6i s THR 226 N 1.22 1.24 0.00 2.92 -4.23 -1.26 -4.29 115.64 111.24 3h6i s THR 226 Ca 0.06 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.57 3h6i s THR 226 Cb -0.23 -2.54 0.00 0.00 1.34 0.00 0.00 72.50 71.07 3h6i s THR 226 CO -0.03 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.66 3h6i n GLY 227 N -0.99 2.78 0.29 3.99 0.00 -1.26 -2.80 105.19 107.20 3h6i n GLY 227 Ca -0.09 -0.06 0.05 0.00 0.00 0.00 0.00 46.02 45.91 3h6i n GLY 227 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3h6i h SER 228 N 0.50 0.33 0.34 1.61 4.64 -2.00 -2.33 113.55 116.64 3h6i h SER 228 Ca 0.00 -0.02 -0.11 0.00 -0.47 0.00 0.00 61.79 61.19 3h6i h SER 228 Cb 0.00 -0.08 -0.01 0.00 -0.31 0.00 0.00 62.40 61.99 3h6i h SER 228 CO 0.00 0.27 -0.47 0.00 -0.87 0.00 0.00 176.83 175.75 3h6i h ALA 229 N 1.79 1.09 0.00 5.18 0.00 -1.94 -2.80 119.26 122.57 3h6i h ALA 229 Ca 0.10 -0.45 -0.13 0.00 0.00 0.00 0.00 54.91 54.43 3h6i h ALA 229 Cb 0.01 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 3h6i h ALA 229 CO -0.02 0.62 -0.62 1.25 0.00 0.00 0.00 179.25 180.48 3h6i h LEU 230 N 0.13 0.00 -0.45 0.00 5.85 -1.25 -3.24 115.31 116.34 3h6i h LEU 230 Ca 0.01 0.00 -0.06 0.00 0.84 0.00 0.00 57.88 58.67 3h6i h LEU 230 Cb 0.89 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.90 3h6i h LEU 230 CO 0.07 0.62 0.05 -0.61 -0.34 0.00 0.00 178.44 178.23 3h6i h GLN 231 N 0.00 0.76 -0.98 1.25 5.75 -1.23 -3.06 115.11 117.60 3h6i h GLN 231 Ca -0.01 -0.21 0.08 0.00 -0.15 0.00 0.00 58.65 58.36 3h6i h GLN 231 Cb 1.38 -0.08 -0.07 0.00 1.07 0.00 0.00 27.48 29.78 3h6i h GLN 231 CO 0.08 0.79 0.62 0.00 -2.65 0.00 0.00 178.83 177.67 3h6i h ALA 232 N 0.94 1.38 -0.00 3.38 0.00 -1.55 -1.29 119.26 122.11 3h6i h ALA 232 Ca 0.13 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.03 3h6i h ALA 232 Cb 0.42 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 17.94 3h6i h ALA 232 CO 0.01 0.36 0.00 1.28 0.00 0.00 0.00 179.25 180.90 3h6i n LEU 233 N -4.55 0.39 -0.70 0.00 4.77 -1.16 -5.15 117.00 110.60 3h6i n LEU 233 Ca 0.16 -0.13 0.09 0.00 -0.03 0.00 0.00 56.01 56.09 3h6i n LEU 233 Cb 0.22 -0.00 0.07 0.00 -2.33 0.00 0.00 43.42 41.38 3h6i n LEU 233 CO 0.31 0.07 0.53 0.18 -1.33 0.00 0.00 177.39 177.14