#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3h6i s SER 8 N 0.00 1.95 0.30 7.28 1.04 -1.26 -5.00 113.70 118.02 3h6i s SER 8 Ca 0.00 -1.09 0.00 0.00 0.48 0.00 0.00 55.95 55.34 3h6i s SER 8 Cb 0.00 -0.03 0.52 0.00 0.10 0.00 0.00 66.02 66.61 3h6i s SER 8 CO 0.00 -0.37 1.92 -0.65 0.98 0.00 0.00 173.24 175.12 3h6i h PRO 9 N 2.62 1.01 -0.68 4.02 0.11 -2.05 0.82 132.00 137.85 3h6i h PRO 9 Ca -0.37 -0.06 -0.03 0.00 0.11 0.00 0.00 66.00 65.65 3h6i h PRO 9 Cb 1.21 -0.23 -0.03 0.00 0.11 0.00 0.00 31.00 32.06 3h6i h PRO 9 CO 0.64 0.67 0.32 1.49 -0.21 0.00 0.00 178.00 180.91 3h6i h GLU 10 N 1.04 0.98 -0.38 1.05 4.57 -2.00 -1.91 114.58 117.92 3h6i h GLU 10 Ca 0.37 -0.15 -0.02 0.00 -1.18 0.00 0.00 59.36 58.38 3h6i h GLU 10 Cb 0.14 -0.17 -0.02 0.00 -0.16 0.00 0.00 28.75 28.53 3h6i h GLU 10 CO -0.13 0.78 0.15 1.96 -1.18 0.00 0.00 179.01 180.59 3h6i h GLN 11 N 0.94 0.58 -0.99 1.92 1.08 -0.13 -2.56 115.11 115.95 3h6i h GLN 11 Ca 0.23 -0.11 0.01 0.00 -1.45 0.00 0.00 58.65 57.33 3h6i h GLN 11 Cb 0.13 -0.09 -0.05 0.00 -0.05 0.00 0.00 27.48 27.42 3h6i h GLN 11 CO -0.03 0.55 0.64 0.00 -0.95 0.00 0.00 178.83 179.04 3h6i h ALA 12 N 1.00 1.25 -0.22 3.87 0.00 0.50 0.20 119.26 125.86 3h6i h ALA 12 Ca 0.13 -0.08 -0.04 0.00 0.00 0.00 0.00 54.91 54.92 3h6i h ALA 12 Cb 0.19 -0.40 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 3h6i h ALA 12 CO -0.01 0.66 -0.03 1.98 0.00 0.00 0.00 179.25 181.85 3h6i h MET 13 N 1.34 0.40 -0.13 0.00 1.85 -1.12 -1.32 114.93 115.96 3h6i h MET 13 Ca 0.36 -0.14 -0.06 0.00 -0.61 0.00 0.00 59.70 59.25 3h6i h MET 13 Cb -0.13 -0.03 -0.00 0.00 0.43 0.00 0.00 31.60 31.87 3h6i h MET 13 CO -0.08 0.63 -0.15 -0.09 -0.40 0.00 0.00 176.91 176.82 3h6i h ARG 14 N 0.14 0.32 -0.97 0.39 2.43 -1.23 -1.29 114.38 114.18 3h6i h ARG 14 Ca 0.06 -0.18 0.10 0.00 -0.81 0.00 0.00 59.98 59.15 3h6i h ARG 14 Cb 0.47 0.01 -0.08 0.00 -0.42 0.00 0.00 29.97 29.95 3h6i h ARG 14 CO 0.02 0.74 0.60 1.49 -1.51 0.00 0.00 179.97 181.31 3h6i h GLU 15 N -0.07 0.96 -0.14 0.20 4.81 -0.61 -0.73 114.58 119.00 3h6i h GLU 15 Ca 0.02 -0.06 -0.21 0.00 -0.13 0.00 0.00 59.36 58.98 3h6i h GLU 15 Cb 0.69 -0.22 0.01 0.00 0.63 0.00 0.00 28.75 29.86 3h6i h GLU 15 CO 0.04 0.63 -0.75 0.00 -0.73 0.00 0.00 179.01 178.20 3h6i h ARG 16 N 0.99 0.69 0.00 1.92 3.08 -1.18 -2.62 114.38 117.25 3h6i h ARG 16 Ca 0.46 -0.55 -0.05 0.00 0.07 0.00 0.00 59.98 59.91 3h6i h ARG 16 Cb 0.40 0.11 -0.01 0.00 0.08 0.00 0.00 29.97 30.55 3h6i h ARG 16 CO -0.24 1.16 -0.26 1.03 -1.07 0.00 0.00 179.97 180.59 3h6i h SER 17 N 0.47 0.00 0.52 7.04 0.87 -0.46 -2.55 113.55 119.44 3h6i h SER 17 Ca -0.04 0.00 -0.29 0.00 -1.23 0.00 0.00 61.79 60.23 3h6i h SER 17 Cb 1.36 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 63.29 3h6i h SER 17 CO 0.15 0.26 -1.55 -0.33 -0.53 0.00 0.00 176.83 174.83 3h6i h GLU 18 N 0.00 0.13 -0.34 2.24 4.39 -1.14 -2.37 114.58 117.49 3h6i h GLU 18 Ca -0.00 -0.23 -0.05 0.00 0.34 0.00 0.00 59.36 59.42 3h6i h GLU 18 Cb 0.64 0.09 -0.02 0.00 -0.10 0.00 0.00 28.75 29.36 3h6i h GLU 18 CO 0.03 0.91 0.02 1.25 -1.16 0.00 0.00 179.01 180.07 3h6i h LEU 19 N 0.04 0.48 0.21 1.33 6.46 -1.32 -0.56 115.31 121.95 3h6i h LEU 19 Ca -0.24 -0.08 -0.01 0.00 -0.12 0.00 0.00 57.88 57.43 3h6i h LEU 19 Cb 1.98 -0.13 0.00 0.00 -0.73 0.00 0.00 40.66 41.78 3h6i h LEU 19 CO 0.12 0.54 -0.10 0.00 -0.62 0.00 0.00 178.44 178.38 3h6i h ALA 20 N 1.52 -0.41 -1.08 1.25 0.00 -1.53 -3.14 119.26 115.88 3h6i h ALA 20 Ca 0.11 -0.06 0.31 0.00 0.00 0.00 0.00 54.91 55.27 3h6i h ALA 20 Cb 0.30 0.11 -0.12 0.00 0.00 0.00 0.00 17.79 18.08 3h6i h ALA 20 CO 0.01 -0.39 0.66 -0.09 0.00 0.00 0.00 179.25 179.44 3h6i h ARG 21 N -0.71 0.33 -0.69 0.00 2.43 -1.34 0.33 114.38 114.73 3h6i h ARG 21 Ca -0.03 -0.02 -0.07 0.00 -0.81 0.00 0.00 59.98 59.05 3h6i h ARG 21 Cb 0.22 -0.07 -0.03 0.00 -0.42 0.00 0.00 29.97 29.67 3h6i h ARG 21 CO 0.05 0.22 0.15 0.87 -1.51 0.00 0.00 179.97 179.75 3h6i h LYS 22 N 0.34 1.11 -0.27 0.20 1.57 -1.20 0.46 116.57 118.78 3h6i h LYS 22 Ca 0.69 -0.28 -0.11 0.00 -1.87 0.00 0.00 60.65 59.09 3h6i h LYS 22 Cb 1.73 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 33.89 3h6i h LYS 22 CO -0.45 0.99 -0.28 0.78 -0.57 0.00 0.00 179.45 179.92 3h6i h GLY 23 N 1.04 0.60 1.30 3.86 0.00 -0.33 -1.64 103.07 107.90 3h6i h GLY 23 Ca 0.21 -0.52 -0.20 0.00 0.00 0.00 0.00 47.33 46.82 3h6i h GLY 23 CO 0.01 0.47 -0.70 -2.22 0.00 0.00 0.00 176.54 174.10 3h6i h ILE 24 N 0.48 1.30 0.00 2.60 2.04 -1.13 -3.03 117.51 119.77 3h6i h ILE 24 Ca 0.06 -1.94 -0.07 0.00 1.00 0.00 0.00 64.86 63.91 3h6i h ILE 24 Cb 0.74 1.92 -0.01 0.00 -0.74 0.00 0.00 36.82 38.72 3h6i h ILE 24 CO 0.06 0.61 -0.35 0.00 0.00 0.00 0.00 178.15 178.47 3h6i h ALA 25 N 0.71 1.37 0.00 1.87 0.00 -0.66 -0.85 119.26 121.71 3h6i h ALA 25 Ca -0.03 -0.32 -0.04 0.00 0.00 0.00 0.00 54.91 54.52 3h6i h ALA 25 Cb 1.30 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 19.03 3h6i h ALA 25 CO 0.14 0.44 -0.18 -0.09 0.00 0.00 0.00 179.25 179.56 3h6i h ARG 26 N 0.00 0.00 -7.00 0.00 2.43 -1.25 -3.32 114.38 105.24 3h6i h ARG 26 Ca -0.00 0.00 -0.47 0.00 -0.81 0.00 0.00 59.98 58.70 3h6i h ARG 26 Cb 0.64 0.00 0.05 0.00 -0.42 0.00 0.00 29.97 30.24 3h6i h ARG 26 CO 0.05 0.18 0.09 0.00 -1.51 0.00 0.00 179.97 178.78 3h6i s ALA 27 N -3.38 3.46 0.89 2.80 0.00 -0.99 -4.93 121.76 119.62 3h6i s ALA 27 Ca 0.03 -0.87 -0.11 0.00 0.00 0.00 0.00 51.96 51.01 3h6i s ALA 27 Cb 0.08 -2.43 0.13 0.00 0.00 0.00 0.00 23.12 20.90 3h6i s ALA 27 CO 0.65 -0.73 1.10 0.15 0.00 0.00 0.00 175.76 176.93 3h6i s LYS 28 N -4.88 1.27 0.13 0.00 -0.14 -1.26 -1.73 119.74 113.14 3h6i s LYS 28 Ca 0.53 1.19 -0.01 0.00 -1.36 0.00 0.00 55.97 56.33 3h6i s LYS 28 Cb -0.10 -1.78 -0.04 0.00 -1.68 0.00 0.00 37.83 34.22 3h6i s LYS 28 CO 0.43 -2.34 0.31 -1.12 -0.76 0.00 0.00 175.35 171.86 3h6i s SER 29 N -3.05 6.39 0.02 2.83 0.01 -1.26 -4.06 113.70 114.58 3h6i s SER 29 Ca 0.64 0.35 0.03 0.00 1.31 0.00 0.00 55.95 58.28 3h6i s SER 29 Cb -0.20 -1.99 -0.02 0.00 0.21 0.00 0.00 66.02 64.02 3h6i s SER 29 CO 0.58 0.07 -0.09 -0.69 0.41 0.00 0.00 173.24 173.52 3h6i s VAL 30 N -1.68 0.65 -0.01 3.43 1.01 0.63 -2.13 120.40 122.30 3h6i s VAL 30 Ca 0.37 -0.76 0.03 0.00 0.00 0.00 0.00 61.98 61.62 3h6i s VAL 30 Cb -0.12 -0.63 -0.00 0.00 0.00 0.00 0.00 36.38 35.63 3h6i s VAL 30 CO 0.28 -0.10 -0.10 -0.69 0.00 0.00 0.00 175.10 174.48 3h6i s VAL 31 N -0.81 0.83 -0.06 2.92 1.01 0.15 -0.57 120.40 123.88 3h6i s VAL 31 Ca -0.03 -0.43 0.01 0.00 0.00 0.00 0.00 61.98 61.54 3h6i s VAL 31 Cb -0.07 -0.71 0.02 0.00 0.00 0.00 0.00 36.38 35.63 3h6i s VAL 31 CO 0.00 0.24 -0.08 0.00 0.00 0.00 0.00 175.10 175.27 3h6i s ALA 32 N -0.12 0.98 -0.01 5.51 0.00 -0.37 -0.89 121.76 126.86 3h6i s ALA 32 Ca 0.02 -0.25 -0.07 0.00 0.00 0.00 0.00 51.96 51.65 3h6i s ALA 32 Cb -0.05 -0.55 0.00 0.00 0.00 0.00 0.00 23.12 22.52 3h6i s ALA 32 CO -0.00 -0.03 0.15 -0.48 0.00 0.00 0.00 175.76 175.40 3h6i s LEU 33 N 0.96 1.50 0.15 0.00 0.05 -0.30 -0.27 118.68 120.77 3h6i s LEU 33 Ca -0.10 -0.10 -0.29 0.00 0.05 0.00 0.00 54.13 53.70 3h6i s LEU 33 Cb -0.15 0.68 -0.07 0.00 -2.05 0.00 0.00 46.19 44.60 3h6i s LEU 33 CO 0.00 -0.31 0.91 0.00 -0.55 0.00 0.00 176.35 176.40 3h6i s ALA 34 N -1.10 3.31 0.00 1.48 0.00 -0.74 -0.78 121.76 123.92 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 -3.20 0.00 0.00 0.00 0.00 0.00 23.12 19.86 3h6i s ALA 34 CO 0.01 0.08 0.00 2.48 0.00 0.00 0.00 175.76 178.34 3h6i n TYR 35 N 2.30 0.00 -0.00 0.00 0.18 -0.48 -4.59 117.16 114.56 3h6i n TYR 35 Ca -0.00 0.00 -0.12 0.00 1.88 0.00 0.00 57.90 59.65 3h6i n TYR 35 Cb 0.49 0.00 -0.08 0.00 -0.38 0.00 0.00 39.34 39.36 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 1.00 0.03 -0.23 -3.48 0.00 -1.60 -3.25 119.26 111.73 3h6i h ALA 36 Ca 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.75 3h6i h ALA 36 Cb 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.78 3h6i h ALA 36 CO 0.00 -0.31 0.00 0.41 0.00 0.00 0.00 179.25 179.35 3h6i n GLY 37 N -0.27 0.25 0.00 0.00 0.00 -1.26 -5.01 105.19 98.89 3h6i n GLY 37 Ca -0.08 -0.34 0.00 0.00 0.00 0.00 0.00 46.02 45.61 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 1.01 0.51 3.24 -0.02 0.00 -1.23 -0.83 105.19 107.88 3h6i n GLY 38 Ca 0.12 -0.74 -0.23 0.00 0.00 0.00 0.00 46.02 45.17 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 1.55 -0.05 1.61 1.01 -0.78 -1.39 120.40 122.36 3h6i s VAL 39 Ca 0.00 -1.35 0.04 0.00 0.00 0.00 0.00 61.98 60.67 3h6i s VAL 39 Cb 0.00 -1.40 -0.00 0.00 0.00 0.00 0.00 36.38 34.98 3h6i s VAL 39 CO 0.00 0.00 -0.18 -0.22 0.00 0.00 0.00 175.10 174.70 3h6i s LEU 40 N -1.59 1.91 -0.10 3.92 2.96 0.04 -0.99 118.68 124.84 3h6i s LEU 40 Ca 0.05 -0.38 0.03 0.00 -0.22 0.00 0.00 54.13 53.61 3h6i s LEU 40 Cb -0.09 -1.03 -0.01 0.00 0.50 0.00 0.00 46.19 45.55 3h6i s LEU 40 CO 0.03 0.15 -0.20 -0.36 -1.32 0.00 0.00 176.35 174.64 3h6i s PHE 41 N 0.14 2.62 -0.03 5.38 0.08 0.14 -1.14 117.98 125.16 3h6i s PHE 41 Ca -0.07 -0.82 -0.00 0.00 0.12 0.00 0.00 56.93 56.16 3h6i s PHE 41 Cb -0.13 -1.73 0.03 0.00 -0.57 0.00 0.00 43.02 40.62 3h6i s PHE 41 CO 0.03 -0.29 0.02 0.08 -0.10 0.00 0.00 175.22 174.96 3h6i s VAL 42 N 0.19 0.08 0.04 -0.44 1.01 -0.06 -1.73 120.40 119.49 3h6i s VAL 42 Ca -0.12 0.18 0.02 0.00 0.00 0.00 0.00 61.98 62.06 3h6i s VAL 42 Cb -0.16 -0.22 -0.02 0.00 0.00 0.00 0.00 36.38 35.98 3h6i s VAL 42 CO 0.07 0.14 -0.08 0.00 0.00 0.00 0.00 175.10 175.23 3h6i s ALA 43 N 1.29 0.56 -0.49 5.51 0.00 -0.57 -0.67 121.76 127.39 3h6i s ALA 43 Ca -0.06 -0.77 -0.28 0.00 0.00 0.00 0.00 51.96 50.85 3h6i s ALA 43 Cb -0.13 0.05 0.03 0.00 0.00 0.00 0.00 23.12 23.07 3h6i s ALA 43 CO -0.03 -0.02 1.08 -1.21 0.00 0.00 0.00 175.76 175.58 3h6i s GLU 44 N -1.59 3.64 -0.28 0.00 2.02 -0.90 -1.62 118.70 119.96 3h6i s GLU 44 Ca -0.10 0.41 -0.01 0.00 0.02 0.00 0.00 54.97 55.28 3h6i s GLU 44 Cb -0.10 -3.93 0.13 0.00 0.10 0.00 0.00 34.13 30.33 3h6i s GLU 44 CO 0.00 -1.37 0.27 1.21 0.02 0.00 0.00 175.26 175.39 3h6i s ASN 45 N 2.46 1.86 0.47 -0.19 2.47 -0.54 -4.69 114.94 116.78 3h6i s ASN 45 Ca 0.44 -0.77 0.24 0.00 0.42 0.00 0.00 52.86 53.19 3h6i s ASN 45 Cb -0.08 0.41 1.15 0.00 -1.45 0.00 0.00 41.25 41.28 3h6i s ASN 45 CO 0.30 -0.39 1.95 1.55 -3.72 0.00 0.00 177.10 176.78 3h6i h PRO 46 N 8.28 0.00 -6.90 0.43 0.13 -1.80 -3.26 132.00 128.88 3h6i h PRO 46 Ca -0.14 0.00 -0.51 0.00 -0.87 0.00 0.00 66.00 64.47 3h6i h PRO 46 Cb 1.07 0.00 0.05 0.00 0.13 0.00 0.00 31.00 32.26 3h6i h PRO 46 CO 0.34 0.20 0.55 0.45 -0.23 0.00 0.00 178.00 179.32 3h6i s SER 47 N -6.31 6.68 0.10 1.44 0.15 -1.26 -4.77 113.70 109.73 3h6i s SER 47 Ca -0.02 2.47 0.22 0.00 0.70 0.00 0.00 55.95 59.33 3h6i s SER 47 Cb 0.12 -2.63 -0.07 0.00 -1.71 0.00 0.00 66.02 61.73 3h6i s SER 47 CO 0.63 -0.57 0.89 -2.11 1.20 0.00 0.00 173.24 173.27 3h6i n ARG 48 N 0.46 0.53 0.00 5.44 1.85 -1.26 -4.61 116.66 119.08 3h6i n ARG 48 Ca 0.02 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.87 3h6i n ARG 48 Cb 0.44 -1.68 0.00 0.00 -1.05 0.00 0.00 32.46 30.17 3h6i n ARG 48 CO 0.00 0.00 0.00 -1.13 -0.01 0.00 0.00 177.63 176.49 3h6i n SER 49 N -2.37 4.92 -4.47 2.89 3.41 -1.26 -4.93 113.62 111.81 3h6i n SER 49 Ca -0.01 0.00 -0.43 0.00 -0.26 0.00 0.00 58.87 58.17 3h6i n SER 49 Cb 0.52 0.62 -0.03 0.00 -0.26 0.00 0.00 64.21 65.06 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 -3.70 4.67 0.42 1.04 1.43 -1.26 -5.01 118.68 116.27 3h6i s LEU 50 Ca 0.00 -1.77 -0.22 0.00 -1.03 0.00 0.00 54.13 51.11 3h6i s LEU 50 Cb 0.00 -2.43 -0.10 0.00 0.03 0.00 0.00 46.19 43.69 3h6i s LEU 50 CO 0.00 -1.20 1.00 -1.10 0.23 0.00 0.00 176.35 175.27 3h6i s GLN 51 N 3.31 4.15 -0.00 1.70 -0.21 -1.26 -4.86 119.66 122.49 3h6i s GLN 51 Ca 0.33 1.31 0.06 0.00 0.02 0.00 0.00 55.36 57.08 3h6i s GLN 51 Cb -0.06 -2.33 -0.08 0.00 1.00 0.00 0.00 33.01 31.54 3h6i s GLN 51 CO -0.06 -0.12 0.17 1.63 -2.12 0.00 0.00 175.29 174.78 3h6i n LYS 52 N -0.42 2.17 -4.94 2.91 5.02 -1.26 -4.96 118.16 116.67 3h6i n LYS 52 Ca 0.06 -0.03 -0.31 0.00 -2.02 0.00 0.00 58.31 56.01 3h6i n LYS 52 Cb 0.52 -0.99 -0.14 0.00 -0.02 0.00 0.00 35.03 34.40 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 -2.05 2.46 0.06 -0.18 1.01 -1.26 -1.23 121.20 120.00 3h6i s ILE 53 Ca -0.00 -1.14 -0.27 0.00 0.00 0.00 0.00 60.65 59.24 3h6i s ILE 53 Cb 0.04 -1.95 0.07 0.00 0.01 0.00 0.00 42.46 40.63 3h6i s ILE 53 CO 0.24 0.46 0.66 -0.55 0.00 0.00 0.00 174.94 175.74 3h6i s SER 54 N -1.04 -0.58 0.36 3.58 0.15 0.71 -4.98 113.70 111.90 3h6i s SER 54 Ca 0.12 0.28 -0.26 0.00 0.70 0.00 0.00 55.95 56.79 3h6i s SER 54 Cb -0.10 0.55 -0.09 0.00 -1.71 0.00 0.00 66.02 64.67 3h6i s SER 54 CO 0.02 -0.79 1.13 -0.70 1.20 0.00 0.00 173.24 174.10 3h6i s GLU 55 N -2.67 4.26 -0.05 5.44 2.12 -1.26 0.11 118.70 126.64 3h6i s GLU 55 Ca -0.03 1.79 -0.06 0.00 0.36 0.00 0.00 54.97 57.03 3h6i s GLU 55 Cb -0.01 -2.82 -0.03 0.00 0.26 0.00 0.00 34.13 31.54 3h6i s GLU 55 CO -0.04 -0.13 -0.13 1.28 -0.54 0.00 0.00 175.26 175.71 3h6i n LEU 56 N 0.40 1.09 0.00 2.70 4.77 -0.40 -4.78 117.00 120.78 3h6i n LEU 56 Ca 0.03 0.17 -0.03 0.00 -0.03 0.00 0.00 56.01 56.14 3h6i n LEU 56 Cb 0.46 -0.40 -0.01 0.00 -2.33 0.00 0.00 43.42 41.15 3h6i n LEU 56 CO 0.51 -0.22 0.04 0.00 -1.33 0.00 0.00 177.39 176.38 3h6i n TYR 57 N -3.66 -0.64 -0.05 -1.77 9.36 -0.86 -4.75 117.16 114.78 3h6i n TYR 57 Ca -0.12 -0.51 -0.08 0.00 3.32 0.00 0.00 57.90 60.51 3h6i n TYR 57 Cb 0.39 0.12 -0.02 0.00 -0.63 0.00 0.00 39.34 39.20 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 0.43 -0.02 -0.28 2.98 3.32 -1.93 -2.82 116.42 118.10 3h6i h ASP 58 Ca -0.06 0.04 0.00 0.00 0.02 0.00 0.00 57.03 57.03 3h6i h ASP 58 Cb 0.26 0.06 0.00 0.00 0.22 0.00 0.00 39.33 39.87 3h6i h ASP 58 CO 0.08 0.02 0.00 0.54 -1.72 0.00 0.00 179.24 178.16 3h6i n ARG 59 N -5.10 2.40 -4.86 3.56 5.12 -1.26 -1.33 116.66 115.19 3h6i n ARG 59 Ca -0.02 -1.87 -0.33 0.00 -1.93 0.00 0.00 57.85 53.71 3h6i n ARG 59 Cb 0.11 -1.26 -0.14 0.00 -1.16 0.00 0.00 32.46 30.01 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 -0.98 2.93 0.36 1.55 1.01 -1.07 -1.91 120.40 122.29 3h6i s VAL 60 Ca 0.21 -0.72 0.09 0.00 0.00 0.00 0.00 61.98 61.56 3h6i s VAL 60 Cb 0.11 -2.20 -0.06 0.00 0.00 0.00 0.00 36.38 34.23 3h6i s VAL 60 CO 0.15 0.54 -0.02 -0.83 0.00 0.00 0.00 175.10 174.95 3h6i s GLY 61 N 0.08 2.20 0.03 4.51 0.00 0.83 -1.27 107.32 113.70 3h6i s GLY 61 Ca -0.06 -2.07 0.02 0.00 0.00 0.00 0.00 44.72 42.61 3h6i s GLY 61 CO 0.05 -1.98 -0.08 -0.12 0.00 0.00 0.00 173.10 170.96 3h6i s PHE 62 N -2.59 0.69 -0.20 1.90 2.19 0.12 -1.65 117.98 118.44 3h6i s PHE 62 Ca 0.34 -0.39 -0.18 0.00 0.33 0.00 0.00 56.93 57.03 3h6i s PHE 62 Cb 0.03 -0.42 0.05 0.00 -1.31 0.00 0.00 43.02 41.37 3h6i s PHE 62 CO 0.18 -0.05 0.53 0.00 1.83 0.00 0.00 175.22 177.72 3h6i s ALA 63 N -1.03 -1.32 0.10 11.12 0.00 -0.59 -0.21 121.76 129.84 3h6i s ALA 63 Ca -0.06 1.52 -0.07 0.00 0.00 0.00 0.00 51.96 53.36 3h6i s ALA 63 Cb -0.08 -0.89 -0.01 0.00 0.00 0.00 0.00 23.12 22.14 3h6i s ALA 63 CO 0.00 -0.25 0.16 0.00 0.00 0.00 0.00 175.76 175.67 3h6i s ALA 64 N 0.34 0.03 0.01 0.00 0.00 -0.37 -0.20 121.76 121.58 3h6i s ALA 64 Ca -0.00 -0.84 0.01 0.00 0.00 0.00 0.00 51.96 51.13 3h6i s ALA 64 Cb -0.04 0.57 -0.01 0.00 0.00 0.00 0.00 23.12 23.64 3h6i s ALA 64 CO -0.00 -0.52 -0.05 0.00 0.00 0.00 0.00 175.76 175.19 3h6i s ALA 65 N -3.91 0.40 0.00 0.00 0.00 -0.50 -4.85 121.76 112.90 3h6i s ALA 65 Ca 0.10 -0.41 0.00 0.00 0.00 0.00 0.00 51.96 51.64 3h6i s ALA 65 Cb 0.05 -0.02 0.00 0.00 0.00 0.00 0.00 23.12 23.15 3h6i s ALA 65 CO -0.07 0.02 0.00 0.41 0.00 0.00 0.00 175.76 176.12 3h6i n GLY 66 N 2.34 0.50 3.64 0.00 0.00 -1.26 -1.35 105.19 109.06 3h6i n GLY 66 Ca -0.17 -1.64 -0.43 0.00 0.00 0.00 0.00 46.02 43.78 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 -1.38 4.07 0.16 1.61 2.20 -0.58 -4.89 119.74 120.92 3h6i s LYS 67 Ca 0.00 1.29 -0.25 0.00 -0.36 0.00 0.00 55.97 56.65 3h6i s LYS 67 Cb 0.00 -3.78 0.03 0.00 -1.51 0.00 0.00 37.83 32.57 3h6i s LYS 67 CO 0.00 -0.91 1.58 0.35 -0.36 0.00 0.00 175.35 176.02 3h6i h PHE 68 N 8.46 -1.10 -0.60 4.03 3.57 -1.96 -1.82 116.94 127.53 3h6i h PHE 68 Ca -0.24 0.07 0.14 0.00 3.53 0.00 0.00 57.97 61.47 3h6i h PHE 68 Cb 1.08 0.54 -0.03 0.00 2.79 0.00 0.00 35.95 40.33 3h6i h PHE 68 CO 0.83 -0.42 0.41 -2.95 -2.23 0.00 0.00 178.31 173.96 3h6i h ASN 69 N -0.29 0.18 0.15 0.41 -0.00 -1.99 0.15 115.58 114.19 3h6i h ASN 69 Ca 0.16 0.01 -0.22 0.00 -0.00 0.00 0.00 56.30 56.24 3h6i h ASN 69 Cb 0.57 -0.03 0.03 0.00 -0.00 0.00 0.00 38.32 38.88 3h6i h ASN 69 CO -0.57 0.10 -0.97 -0.33 -0.00 0.00 0.00 177.43 175.65 3h6i h GLU 70 N 0.19 0.38 0.00 4.14 5.08 -1.81 -2.95 114.58 119.61 3h6i h GLU 70 Ca 0.29 -0.62 -0.08 0.00 -1.00 0.00 0.00 59.36 57.95 3h6i h GLU 70 Cb 0.87 0.23 -0.01 0.00 0.50 0.00 0.00 28.75 30.33 3h6i h GLU 70 CO -0.05 1.29 -0.37 0.27 -1.00 0.00 0.00 179.01 179.15 3h6i h PHE 71 N -0.20 0.00 -0.33 4.33 -5.15 -0.54 -2.92 116.94 112.13 3h6i h PHE 71 Ca -0.17 0.00 -0.17 0.00 -0.20 0.00 0.00 57.97 57.43 3h6i h PHE 71 Cb 1.75 0.00 -0.00 0.00 0.22 0.00 0.00 35.95 37.92 3h6i h PHE 71 CO 0.17 0.37 -0.46 0.22 -2.00 0.00 0.00 178.31 176.61 3h6i h ASP 72 N 0.00 0.96 -0.64 -0.68 3.58 -1.11 0.19 116.42 118.72 3h6i h ASP 72 Ca -0.00 -0.47 0.03 0.00 0.42 0.00 0.00 57.03 57.00 3h6i h ASP 72 Cb 1.18 -0.27 -0.03 0.00 1.72 0.00 0.00 39.33 41.93 3h6i h ASP 72 CO 0.05 1.26 0.42 -1.13 -2.88 0.00 0.00 179.24 176.96 3h6i h ASN 73 N 0.70 0.66 0.56 2.28 -1.24 -1.41 -0.73 115.58 116.40 3h6i h ASN 73 Ca 0.04 -0.01 -0.23 0.00 0.71 0.00 0.00 56.30 56.81 3h6i h ASN 73 Cb 1.06 -0.15 -0.00 0.00 0.73 0.00 0.00 38.32 39.95 3h6i h ASN 73 CO 0.11 0.46 -1.03 -0.07 -1.29 0.00 0.00 177.43 175.60 3h6i h LEU 74 N 0.77 0.37 -0.11 0.34 3.38 -1.28 -1.70 115.31 117.08 3h6i h LEU 74 Ca 0.25 -0.34 -0.01 0.00 0.09 0.00 0.00 57.88 57.88 3h6i h LEU 74 Cb 0.06 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 40.69 3h6i h LEU 74 CO -0.07 1.19 0.05 -0.09 0.09 0.00 0.00 178.44 179.60 3h6i h ARG 75 N 0.12 0.17 -0.39 1.13 2.43 0.22 -0.38 114.38 117.68 3h6i h ARG 75 Ca -0.08 -0.03 -0.02 0.00 -0.81 0.00 0.00 59.98 59.04 3h6i h ARG 75 Cb 1.71 -0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 31.21 3h6i h ARG 75 CO 0.17 0.27 0.16 0.00 -1.51 0.00 0.00 179.97 179.06 3h6i h ARG 76 N 0.03 0.58 -0.45 0.20 3.08 -1.19 -1.79 114.38 114.83 3h6i h ARG 76 Ca 0.04 -0.10 0.05 0.00 0.07 0.00 0.00 59.98 60.03 3h6i h ARG 76 Cb 0.17 -0.10 -0.02 0.00 0.08 0.00 0.00 29.97 30.10 3h6i h ARG 76 CO -0.00 0.55 0.30 0.78 -1.07 0.00 0.00 179.97 180.53 3h6i h GLY 77 N 0.49 0.50 1.51 0.04 0.00 -1.18 -0.01 103.07 104.42 3h6i h GLY 77 Ca 0.13 -0.16 -0.20 0.00 0.00 0.00 0.00 47.33 47.10 3h6i h GLY 77 CO -0.01 0.13 -0.78 -1.33 0.00 0.00 0.00 176.54 174.55 3h6i h GLY 78 N 0.41 0.52 1.08 4.60 0.00 -0.61 -1.15 103.07 107.93 3h6i h GLY 78 Ca 0.19 -0.77 -0.15 0.00 0.00 0.00 0.00 47.33 46.60 3h6i h GLY 78 CO -0.05 0.68 -0.36 -2.22 0.00 0.00 0.00 176.54 174.59 3h6i h ILE 79 N 0.31 1.28 -0.51 2.60 2.04 -0.81 -1.08 117.51 121.33 3h6i h ILE 79 Ca -0.04 -1.54 -0.01 0.00 1.00 0.00 0.00 64.86 64.27 3h6i h ILE 79 Cb 1.37 1.46 -0.02 0.00 -0.74 0.00 0.00 36.82 38.89 3h6i h ILE 79 CO 0.14 0.51 0.30 -0.61 0.00 0.00 0.00 178.15 178.48 3h6i h GLN 80 N 0.66 0.70 0.06 2.37 5.75 -0.94 -1.01 115.11 122.69 3h6i h GLN 80 Ca 0.05 -0.07 -0.00 0.00 -0.15 0.00 0.00 58.65 58.48 3h6i h GLN 80 Cb 0.95 -0.14 0.00 0.00 1.07 0.00 0.00 27.48 29.36 3h6i h GLN 80 CO 0.09 0.52 -0.03 0.35 -2.65 0.00 0.00 178.83 177.11 3h6i h PHE 81 N 0.68 -0.07 -0.61 3.99 3.57 -1.10 -2.51 116.94 120.88 3h6i h PHE 81 Ca 0.18 -0.00 0.05 0.00 3.53 0.00 0.00 57.97 61.73 3h6i h PHE 81 Cb 0.01 0.02 -0.05 0.00 2.79 0.00 0.00 35.95 38.73 3h6i h PHE 81 CO -0.02 0.25 0.34 0.00 -2.23 0.00 0.00 178.31 176.65 3h6i h ALA 82 N 0.51 0.81 -0.32 2.41 0.00 -1.07 -0.77 119.26 120.83 3h6i h ALA 82 Ca -0.01 0.01 -0.10 0.00 0.00 0.00 0.00 54.91 54.81 3h6i h ALA 82 Cb 0.36 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 3h6i h ALA 82 CO 0.01 0.01 -0.23 -0.44 0.00 0.00 0.00 179.25 178.60 3h6i h ASP 83 N 0.64 0.63 -0.31 0.00 3.32 -1.19 -0.49 116.42 119.02 3h6i h ASP 83 Ca 0.27 -0.22 -0.15 0.00 0.02 0.00 0.00 57.03 56.95 3h6i h ASP 83 Cb 0.15 -0.17 -0.00 0.00 0.22 0.00 0.00 39.33 39.52 3h6i h ASP 83 CO -0.17 0.85 -0.38 0.74 -1.72 0.00 0.00 179.24 178.57 3h6i h THR 84 N 0.55 1.29 -0.25 0.35 2.02 -1.18 -2.40 112.91 113.29 3h6i h THR 84 Ca 0.08 -1.56 -0.04 0.00 0.77 0.00 0.00 66.41 65.66 3h6i h THR 84 Cb 0.70 1.56 -0.01 0.00 -1.74 0.00 0.00 68.15 68.66 3h6i h THR 84 CO 0.05 0.51 -0.00 0.03 0.37 0.00 0.00 175.52 176.48 3h6i h ARG 85 N 0.57 0.45 -0.38 6.66 2.47 -0.96 -1.20 114.38 121.99 3h6i h ARG 85 Ca 0.04 -0.14 -0.04 0.00 -1.26 0.00 0.00 59.98 58.58 3h6i h ARG 85 Cb 0.97 -0.04 -0.02 0.00 -1.65 0.00 0.00 29.97 29.23 3h6i h ARG 85 CO 0.09 0.62 0.08 0.78 0.56 0.00 0.00 179.97 182.11 3h6i h GLY 86 N 0.23 0.61 1.21 0.04 0.00 -1.09 -0.26 103.07 103.81 3h6i h GLY 86 Ca 0.07 -0.32 -0.27 0.00 0.00 0.00 0.00 47.33 46.82 3h6i h GLY 86 CO 0.01 0.30 -1.03 -1.82 0.00 0.00 0.00 176.54 174.01 3h6i h TYR 87 N 0.55 1.05 0.00 5.60 3.20 -1.16 -3.10 116.97 123.11 3h6i h TYR 87 Ca 0.13 -0.56 -0.11 0.00 3.14 0.00 0.00 58.73 61.32 3h6i h TYR 87 Cb 0.23 -0.12 -0.02 0.00 1.54 0.00 0.00 36.73 38.36 3h6i h TYR 87 CO 0.01 1.40 -0.53 0.00 -1.64 0.00 0.00 178.16 177.40 3h6i h ALA 88 N 0.42 0.77 -3.00 1.82 0.00 -0.91 -3.44 119.26 114.92 3h6i h ALA 88 Ca -0.13 -0.48 0.00 0.00 0.00 0.00 0.00 54.91 54.30 3h6i h ALA 88 Cb 1.68 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.39 3h6i h ALA 88 CO 0.20 0.67 0.00 0.66 0.00 0.00 0.00 179.25 180.78 3h6i n TYR 89 N -3.40 0.00 -3.88 0.00 4.01 -0.14 -5.08 117.16 108.67 3h6i n TYR 89 Ca 0.01 0.00 -0.10 0.00 -0.16 0.00 0.00 57.90 57.65 3h6i n TYR 89 Cb 0.67 0.00 -0.06 0.00 -0.31 0.00 0.00 39.34 39.64 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 0.79 -0.05 0.54 7.72 1.47 -1.17 -4.99 116.67 120.98 3h6i s ASP 90 Ca 0.00 -0.72 0.25 0.00 1.18 0.00 0.00 52.55 53.26 3h6i s ASP 90 Cb 0.00 0.47 1.53 0.00 -0.34 0.00 0.00 42.92 44.59 3h6i s ASP 90 CO 0.00 -0.93 2.15 0.03 0.68 0.00 0.00 175.17 177.10 3h6i h ARG 91 N 2.45 0.00 0.00 2.11 3.08 -1.91 -2.30 114.38 117.81 3h6i h ARG 91 Ca -0.31 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.74 3h6i h ARG 91 Cb 1.24 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.29 3h6i h ARG 91 CO 0.45 0.06 0.00 -2.13 -1.07 0.00 0.00 179.97 177.29 3h6i n ARG 92 N -3.94 0.20 0.19 0.04 0.63 -1.26 -2.82 116.66 109.69 3h6i n ARG 92 Ca -0.03 0.28 0.03 0.00 -0.92 0.00 0.00 57.85 57.21 3h6i n ARG 92 Cb 0.15 -1.78 0.38 0.00 0.45 0.00 0.00 32.46 31.65 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 -3.22 6.15 3.58 -1.79 -3.41 116.42 117.73 3h6i h ASP 93 Ca 0.00 0.00 -0.57 0.00 0.42 0.00 0.00 57.03 56.88 3h6i h ASP 93 Cb 0.54 0.00 -0.06 0.00 1.72 0.00 0.00 39.33 41.54 3h6i h ASP 93 CO 0.00 0.36 0.90 -0.69 -2.88 0.00 0.00 179.24 176.93 3h6i s VAL 94 N -4.15 4.35 0.23 2.25 1.01 -1.13 -4.92 120.40 118.03 3h6i s VAL 94 Ca -0.03 1.55 0.03 0.00 0.00 0.00 0.00 61.98 63.54 3h6i s VAL 94 Cb 0.14 -4.29 -0.05 0.00 0.00 0.00 0.00 36.38 32.18 3h6i s VAL 94 CO 0.72 -0.46 -0.00 0.42 0.00 0.00 0.00 175.10 175.77 3h6i s THR 95 N 3.91 1.01 0.20 3.92 -4.23 -1.26 -4.94 115.64 114.24 3h6i s THR 95 Ca 0.50 -2.03 -0.07 0.00 -1.18 0.00 0.00 61.69 58.91 3h6i s THR 95 Cb -0.14 -2.32 0.04 0.00 1.34 0.00 0.00 72.50 71.42 3h6i s THR 95 CO 0.18 -0.34 1.62 1.23 -0.54 0.00 0.00 174.62 176.78 3h6i h GLY 96 N 2.49 0.98 1.00 3.99 0.00 -1.94 -1.75 103.07 107.85 3h6i h GLY 96 Ca -0.38 -0.80 -0.01 0.00 0.00 0.00 0.00 47.33 46.14 3h6i h GLY 96 CO 0.64 0.73 0.39 -0.09 0.00 0.00 0.00 176.54 178.22 3h6i h ARG 97 N 0.80 0.98 -0.03 4.80 2.43 -1.96 0.15 114.38 121.55 3h6i h ARG 97 Ca 0.12 -0.11 -0.00 0.00 -0.81 0.00 0.00 59.98 59.18 3h6i h ARG 97 Cb 0.69 -0.19 -0.00 0.00 -0.42 0.00 0.00 29.97 30.05 3h6i h ARG 97 CO 0.05 0.72 0.01 0.37 -1.51 0.00 0.00 179.97 179.62 3h6i h GLN 98 N 0.97 0.04 -0.47 0.20 4.15 -1.84 -0.62 115.11 117.53 3h6i h GLN 98 Ca 0.25 -0.00 -0.08 0.00 0.77 0.00 0.00 58.65 59.59 3h6i h GLN 98 Cb 0.03 -0.01 -0.02 0.00 0.21 0.00 0.00 27.48 27.69 3h6i h GLN 98 CO -0.04 0.11 -0.02 -0.07 -1.93 0.00 0.00 178.83 176.88 3h6i h LEU 99 N -0.05 0.75 -0.51 -2.39 3.38 -1.03 -1.28 115.31 114.19 3h6i h LEU 99 Ca 0.01 -0.19 -0.06 0.00 0.09 0.00 0.00 57.88 57.73 3h6i h LEU 99 Cb 0.09 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.62 3h6i h LEU 99 CO -0.00 0.83 0.08 0.00 0.09 0.00 0.00 178.44 179.45 3h6i h ALA 100 N 1.25 0.67 -0.53 1.53 0.00 -0.60 -1.12 119.26 120.47 3h6i h ALA 100 Ca 0.14 -0.24 0.01 0.00 0.00 0.00 0.00 54.91 54.83 3h6i h ALA 100 Cb 0.47 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 18.04 3h6i h ALA 100 CO 0.02 0.40 0.34 -0.97 0.00 0.00 0.00 179.25 179.04 3h6i h ASN 101 N 0.71 0.56 -0.69 0.00 -0.73 -0.80 0.03 115.58 114.66 3h6i h ASN 101 Ca 0.15 -0.01 -0.07 0.00 1.87 0.00 0.00 56.30 58.25 3h6i h ASN 101 Cb 0.39 -0.13 -0.03 0.00 0.27 0.00 0.00 38.32 38.83 3h6i h ASN 101 CO 0.01 0.40 0.18 0.58 -0.37 0.00 0.00 177.43 178.23 3h6i h VAL 102 N 0.68 1.26 -0.35 2.57 2.07 -0.95 -1.66 116.25 119.87 3h6i h VAL 102 Ca 0.20 -0.95 -0.12 0.00 0.82 0.00 0.00 66.70 66.65 3h6i h VAL 102 Cb -0.03 0.53 -0.01 0.00 -1.52 0.00 0.00 31.29 30.25 3h6i h VAL 102 CO -0.07 0.37 -0.28 1.88 0.02 0.00 0.00 177.57 179.49 3h6i h TYR 103 N 1.06 0.85 -0.52 1.57 0.05 -0.72 -1.41 116.97 117.84 3h6i h TYR 103 Ca 0.22 -0.21 -0.01 0.00 0.05 0.00 0.00 58.73 58.78 3h6i h TYR 103 Cb 0.36 -0.20 -0.02 0.00 1.01 0.00 0.00 36.73 37.88 3h6i h TYR 103 CO 0.03 0.93 0.29 0.00 -1.05 0.00 0.00 178.16 178.36 3h6i h ALA 104 N 1.05 0.67 -0.35 3.88 0.00 -0.59 0.30 119.26 124.21 3h6i h ALA 104 Ca 0.08 -0.09 -0.05 0.00 0.00 0.00 0.00 54.91 54.84 3h6i h ALA 104 Cb 0.80 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 3h6i h ALA 104 CO 0.07 0.19 0.03 1.96 0.00 0.00 0.00 179.25 181.49 3h6i h GLN 105 N 0.70 0.61 -0.12 0.00 1.08 -1.18 -0.51 115.11 115.68 3h6i h GLN 105 Ca 0.18 -0.18 -0.02 0.00 -1.45 0.00 0.00 58.65 57.19 3h6i h GLN 105 Cb 0.05 -0.06 -0.00 0.00 -0.05 0.00 0.00 27.48 27.41 3h6i h GLN 105 CO -0.03 0.70 0.01 1.15 -0.95 0.00 0.00 178.83 179.72 3h6i h THR 106 N 0.43 1.23 -0.40 -0.54 2.02 -0.92 -1.19 112.91 113.53 3h6i h THR 106 Ca 0.10 -0.74 -0.09 0.00 0.77 0.00 0.00 66.41 66.46 3h6i h THR 106 Cb 0.41 1.48 -0.02 0.00 -1.74 0.00 0.00 68.15 68.29 3h6i h THR 106 CO 0.01 0.21 -0.12 -0.07 0.37 0.00 0.00 175.52 175.92 3h6i h LEU 107 N -0.03 0.70 -0.67 2.58 3.38 -0.39 -0.95 115.31 119.93 3h6i h LEU 107 Ca 0.04 -0.21 -0.04 0.00 0.09 0.00 0.00 57.88 57.76 3h6i h LEU 107 Cb 0.32 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 40.85 3h6i h LEU 107 CO 0.00 0.85 0.26 1.23 0.09 0.00 0.00 178.44 180.87 3h6i h GLY 108 N 0.97 1.07 1.25 0.83 0.00 -0.99 -0.17 103.07 106.04 3h6i h GLY 108 Ca 0.11 -0.59 -0.14 0.00 0.00 0.00 0.00 47.33 46.71 3h6i h GLY 108 CO 0.04 0.56 -0.31 -0.84 0.00 0.00 0.00 176.54 175.98 3h6i h THR 109 N 0.94 1.28 -0.33 4.70 2.02 -0.94 -2.29 112.91 118.30 3h6i h THR 109 Ca 0.22 -1.47 -0.03 0.00 0.77 0.00 0.00 66.41 65.90 3h6i h THR 109 Cb 0.22 1.31 -0.01 0.00 -1.74 0.00 0.00 68.15 67.92 3h6i h THR 109 CO -0.02 0.49 0.07 0.40 0.37 0.00 0.00 175.52 176.83 3h6i h ILE 110 N 0.71 1.22 -0.55 3.11 2.04 -0.68 -0.30 117.51 123.06 3h6i h ILE 110 Ca 0.08 -0.76 0.00 0.00 1.00 0.00 0.00 64.86 65.17 3h6i h ILE 110 Cb 0.86 1.10 -0.03 0.00 -0.74 0.00 0.00 36.82 38.02 3h6i h ILE 110 CO 0.08 0.25 0.34 0.15 0.00 0.00 0.00 178.15 178.98 3h6i h PHE 111 N 0.37 0.71 0.00 1.37 3.57 -0.93 -2.69 116.94 119.33 3h6i h PHE 111 Ca 0.10 0.01 -0.19 0.00 3.53 0.00 0.00 57.97 61.42 3h6i h PHE 111 Cb 0.31 -0.24 -0.03 0.00 2.79 0.00 0.00 35.95 38.79 3h6i h PHE 111 CO 0.02 0.46 -1.17 2.41 -2.23 0.00 0.00 178.31 177.80 3h6i n THR 112 N -4.43 1.51 -0.00 4.41 -1.04 -0.87 -4.75 114.28 109.10 3h6i n THR 112 Ca 0.05 0.01 -0.11 0.00 -2.04 0.00 0.00 64.05 61.96 3h6i n THR 112 Cb 0.06 -2.12 -0.09 0.00 -1.82 0.00 0.00 70.33 66.37 3h6i n THR 112 CO 0.00 0.00 0.00 -0.33 -0.64 0.00 0.00 175.07 174.10 3h6i h GLU 113 N -1.00 -0.10 -7.35 -2.82 3.07 -1.14 -3.48 114.58 101.75 3h6i h GLU 113 Ca -0.29 0.01 -0.44 0.00 -0.50 0.00 0.00 59.36 58.14 3h6i h GLU 113 Cb 1.13 0.02 0.17 0.00 -0.84 0.00 0.00 28.75 29.23 3h6i h GLU 113 CO -0.17 0.45 0.17 -0.65 -1.40 0.00 0.00 179.01 177.40 3h6i s GLN 114 N -2.99 -0.02 0.08 2.33 -0.21 -1.01 -5.01 119.66 112.82 3h6i s GLN 114 Ca -0.13 0.40 -0.16 0.00 0.02 0.00 0.00 55.36 55.49 3h6i s GLN 114 Cb -0.00 -1.69 -0.12 0.00 1.00 0.00 0.00 33.01 32.19 3h6i s GLN 114 CO 0.51 -3.01 1.35 0.00 -2.12 0.00 0.00 175.29 172.02 3h6i h ALA 115 N -2.09 0.33 -3.32 6.09 0.00 -1.93 -3.44 119.26 114.90 3h6i h ALA 115 Ca -0.54 -0.45 -0.56 0.00 0.00 0.00 0.00 54.91 53.36 3h6i h ALA 115 Cb 1.33 -0.06 -0.34 0.00 0.00 0.00 0.00 17.79 18.72 3h6i h ALA 115 CO 0.54 0.42 -0.83 0.21 0.00 0.00 0.00 179.25 179.59 3h6i s LYS 116 N -4.09 2.05 0.80 0.00 2.20 -1.26 -5.13 119.74 114.31 3h6i s LYS 116 Ca -0.12 -0.51 -0.11 0.00 -0.36 0.00 0.00 55.97 54.87 3h6i s LYS 116 Cb 0.07 -1.72 0.08 0.00 -1.51 0.00 0.00 37.83 34.75 3h6i s LYS 116 CO 0.83 -0.02 1.11 -1.25 -0.36 0.00 0.00 175.35 175.66 3h6i s PRO 117 N 0.87 1.92 0.04 4.03 0.04 -1.26 -4.85 135.00 135.79 3h6i s PRO 117 Ca -0.10 1.32 -0.30 0.00 0.04 0.00 0.00 61.00 61.96 3h6i s PRO 117 Cb -0.15 -1.85 -0.04 0.00 0.04 0.00 0.00 34.50 32.49 3h6i s PRO 117 CO 0.01 -1.92 1.05 0.71 0.04 0.00 0.00 177.00 176.90 3h6i s TYR 118 N -2.76 3.60 -1.41 0.56 1.51 -1.26 -4.93 117.35 112.67 3h6i s TYR 118 Ca 0.64 1.58 -0.10 0.00 -1.01 0.00 0.00 57.07 58.18 3h6i s TYR 118 Cb -0.19 -3.22 0.07 0.00 -0.11 0.00 0.00 41.96 38.51 3h6i s TYR 118 CO 0.55 -0.41 2.33 0.39 -1.11 0.00 0.00 175.55 177.29 3h6i n GLU 119 N 3.67 3.68 -3.99 -0.62 1.02 -1.26 -4.70 120.64 118.44 3h6i n GLU 119 Ca 0.06 -2.99 -0.08 0.00 -0.02 0.00 0.00 57.16 54.13 3h6i n GLU 119 Cb 0.49 -2.92 -0.10 0.00 -0.02 0.00 0.00 31.44 28.90 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 1.10 0.17 -0.02 2.62 -7.23 -1.26 -1.53 120.40 114.25 3h6i s VAL 120 Ca 0.52 -1.38 0.01 0.00 -1.81 0.00 0.00 61.98 59.31 3h6i s VAL 120 Cb 0.15 -1.13 0.02 0.00 0.56 0.00 0.00 36.38 35.97 3h6i s VAL 120 CO -0.06 -0.76 -0.01 -0.70 -0.31 0.00 0.00 175.10 173.26 3h6i s GLU 121 N -3.17 0.32 0.11 4.82 2.12 -0.46 -3.05 118.70 119.40 3h6i s GLU 121 Ca -0.00 0.01 0.09 0.00 0.36 0.00 0.00 54.97 55.44 3h6i s GLU 121 Cb 0.02 -0.44 -0.04 0.00 0.26 0.00 0.00 34.13 33.94 3h6i s GLU 121 CO -0.07 -0.08 -0.24 -0.51 -0.54 0.00 0.00 175.26 173.82 3h6i s LEU 122 N 0.71 2.30 -0.07 2.70 1.02 -0.24 -1.41 118.68 123.69 3h6i s LEU 122 Ca -0.07 -0.71 0.02 0.00 0.02 0.00 0.00 54.13 53.39 3h6i s LEU 122 Cb -0.10 -1.06 0.01 0.00 0.02 0.00 0.00 46.19 45.07 3h6i s LEU 122 CO -0.01 0.12 -0.12 0.00 0.02 0.00 0.00 176.35 176.36 3h6i s VAL 124 N 0.75 2.71 0.13 0.00 1.01 -0.58 -1.54 120.40 122.87 3h6i s VAL 124 Ca -0.13 -0.73 0.10 0.00 0.00 0.00 0.00 61.98 61.22 3h6i s VAL 124 Cb -0.16 -2.18 -0.04 0.00 0.00 0.00 0.00 36.38 34.01 3h6i s VAL 124 CO 0.03 0.49 -0.24 0.00 0.00 0.00 0.00 175.10 175.38 3h6i s ALA 125 N 1.16 2.18 0.00 5.51 0.00 -0.66 -1.14 121.76 128.82 3h6i s ALA 125 Ca 0.01 -1.41 -0.00 0.00 0.00 0.00 0.00 51.96 50.56 3h6i s ALA 125 Cb -0.14 -0.32 -0.00 0.00 0.00 0.00 0.00 23.12 22.65 3h6i s ALA 125 CO -0.05 0.46 -0.00 -2.00 0.00 0.00 0.00 175.76 174.17 3h6i s GLU 126 N -2.09 0.05 0.44 0.00 2.12 -0.70 -0.12 118.70 118.41 3h6i s GLU 126 Ca 0.12 -0.10 0.05 0.00 0.36 0.00 0.00 54.97 55.40 3h6i s GLU 126 Cb -0.10 0.02 -0.05 0.00 0.26 0.00 0.00 34.13 34.26 3h6i s GLU 126 CO 0.06 -0.01 0.04 0.14 -0.54 0.00 0.00 175.26 174.95 3h6i s VAL 127 N -0.24 1.77 0.81 3.70 -7.23 -0.80 -0.74 120.40 117.67 3h6i s VAL 127 Ca -0.03 -1.95 -0.11 0.00 -1.81 0.00 0.00 61.98 58.08 3h6i s VAL 127 Cb -0.02 -2.72 0.08 0.00 0.56 0.00 0.00 36.38 34.28 3h6i s VAL 127 CO -0.00 0.00 1.12 0.00 -0.31 0.00 0.00 175.10 175.91 3h6i s ALA 128 N -2.75 1.98 0.71 1.32 0.00 -1.26 -4.85 121.76 116.91 3h6i s ALA 128 Ca 0.27 0.46 -0.11 0.00 0.00 0.00 0.00 51.96 52.58 3h6i s ALA 128 Cb 0.06 -3.36 0.02 0.00 0.00 0.00 0.00 23.12 19.85 3h6i s ALA 128 CO 0.14 -2.10 1.07 -1.01 0.00 0.00 0.00 175.76 173.86 3h6i s HIS 129 N -2.69 3.11 0.23 0.00 3.76 -1.26 -4.82 115.29 113.61 3h6i s HIS 129 Ca 0.65 1.32 -0.32 0.00 -0.15 0.00 0.00 55.06 56.56 3h6i s HIS 129 Cb -0.20 -2.93 -0.13 0.00 1.11 0.00 0.00 32.58 30.42 3h6i s HIS 129 CO 0.55 -1.30 1.55 0.98 -0.85 0.00 0.00 174.74 175.67 3h6i n TYR 130 N -3.16 2.48 -1.02 1.40 9.36 -1.26 -2.21 117.16 122.75 3h6i n TYR 130 Ca 0.07 0.28 -0.01 0.00 3.32 0.00 0.00 57.90 61.56 3h6i n TYR 130 Cb 0.54 -2.55 -0.00 0.00 -0.63 0.00 0.00 39.34 36.70 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 2.76 0.43 3.52 2.98 0.00 -1.26 -5.02 105.19 108.60 3h6i n GLY 131 Ca 0.13 -0.10 -0.25 0.00 0.00 0.00 0.00 46.02 45.79 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 -0.75 1.86 -0.28 1.61 2.02 -0.94 -5.11 118.70 117.11 3h6i s GLU 132 Ca 0.00 -1.51 -0.06 0.00 0.02 0.00 0.00 54.97 53.42 3h6i s GLU 132 Cb 0.00 -1.97 0.01 0.00 0.10 0.00 0.00 34.13 32.27 3h6i s GLU 132 CO 0.00 0.38 0.05 0.99 0.02 0.00 0.00 175.26 176.71 3h6i s THR 133 N -2.04 3.83 -0.07 3.63 2.01 -1.26 -4.72 115.64 117.01 3h6i s THR 133 Ca 0.26 -0.66 -0.15 0.00 0.31 0.00 0.00 61.69 61.45 3h6i s THR 133 Cb -0.07 -2.93 0.03 0.00 0.01 0.00 0.00 72.50 69.54 3h6i s THR 133 CO 0.15 0.15 0.36 -0.75 -0.69 0.00 0.00 174.62 173.84 3h6i s LYS 134 N 1.49 0.60 0.43 4.92 2.20 -1.26 -5.05 119.74 123.06 3h6i s LYS 134 Ca 0.03 0.14 -0.23 0.00 -0.36 0.00 0.00 55.97 55.55 3h6i s LYS 134 Cb -0.17 0.27 -0.08 0.00 -1.51 0.00 0.00 37.83 36.35 3h6i s LYS 134 CO 0.01 -0.14 1.11 1.03 -0.36 0.00 0.00 175.35 177.01 3h6i s ARG 135 N -0.67 3.95 0.64 4.03 0.52 -1.26 -4.49 118.95 121.67 3h6i s ARG 135 Ca -0.08 1.65 -0.17 0.00 -0.52 0.00 0.00 55.73 56.62 3h6i s ARG 135 Cb -0.04 -2.47 -0.01 0.00 0.52 0.00 0.00 34.95 32.96 3h6i s ARG 135 CO 0.03 -0.36 1.17 -2.14 0.02 0.00 0.00 175.30 174.02 3h6i s PRO 136 N -2.61 2.73 -0.06 3.54 0.02 -1.26 -4.74 135.00 132.62 3h6i s PRO 136 Ca 0.61 1.66 0.06 0.00 0.02 0.00 0.00 61.00 63.34 3h6i s PRO 136 Cb -0.25 -1.92 -0.01 0.00 0.02 0.00 0.00 34.50 32.34 3h6i s PRO 136 CO 0.31 -1.36 -0.23 -1.21 -0.33 0.00 0.00 177.00 174.18 3h6i s GLU 137 N -3.71 2.56 -0.07 5.54 2.02 0.08 -4.98 118.70 120.15 3h6i s GLU 137 Ca 0.73 -0.88 0.04 0.00 0.02 0.00 0.00 54.97 54.88 3h6i s GLU 137 Cb -0.26 -2.20 0.00 0.00 0.10 0.00 0.00 34.13 31.77 3h6i s GLU 137 CO 0.38 0.41 -0.19 -0.51 0.02 0.00 0.00 175.26 175.37 3h6i s LEU 138 N -0.22 1.91 -0.06 1.80 1.02 -1.22 -1.72 118.68 120.18 3h6i s LEU 138 Ca -0.02 -0.42 0.04 0.00 0.02 0.00 0.00 54.13 53.75 3h6i s LEU 138 Cb -0.13 -1.12 0.00 0.00 0.02 0.00 0.00 46.19 44.96 3h6i s LEU 138 CO 0.03 0.13 -0.19 -0.31 0.02 0.00 0.00 176.35 176.03 3h6i s TYR 139 N 0.32 1.94 -0.18 0.29 1.51 -0.29 -1.78 117.35 119.16 3h6i s TYR 139 Ca -0.12 -0.66 -0.05 0.00 -1.01 0.00 0.00 57.07 55.23 3h6i s TYR 139 Cb -0.15 -1.32 -0.03 0.00 -0.11 0.00 0.00 41.96 40.35 3h6i s TYR 139 CO 0.05 -0.26 -0.01 0.50 -1.11 0.00 0.00 175.55 174.72 3h6i s ARG 140 N 0.23 3.69 -0.12 -0.62 3.52 -0.44 -1.53 118.95 123.68 3h6i s ARG 140 Ca -0.10 -0.50 0.02 0.00 -0.13 0.00 0.00 55.73 55.03 3h6i s ARG 140 Cb -0.14 -3.02 0.01 0.00 -1.56 0.00 0.00 34.95 30.24 3h6i s ARG 140 CO 0.04 0.16 -0.19 0.42 -0.81 0.00 0.00 175.30 174.92 3h6i s ILE 141 N 0.61 1.77 0.34 4.11 1.09 0.49 -0.92 121.20 128.70 3h6i s ILE 141 Ca -0.01 -0.81 0.07 0.00 -1.10 0.00 0.00 60.65 58.80 3h6i s ILE 141 Cb -0.14 -1.58 -0.01 0.00 -1.06 0.00 0.00 42.46 39.67 3h6i s ILE 141 CO 0.02 0.49 0.42 0.42 -0.10 0.00 0.00 174.94 176.19 3h6i s THR 142 N 0.85 3.77 0.58 2.92 -4.23 -0.34 -1.08 115.64 118.11 3h6i s THR 142 Ca -0.08 -1.13 0.32 0.00 -1.18 0.00 0.00 61.69 59.62 3h6i s THR 142 Cb -0.15 -3.29 0.46 0.00 1.34 0.00 0.00 72.50 70.85 3h6i s THR 142 CO -0.01 -0.14 1.70 0.10 -0.54 0.00 0.00 174.62 175.72 3h6i h TYR 143 N 0.99 0.00 -0.01 3.99 -0.00 -1.82 -0.07 116.97 120.05 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 0.46 0.00 -0.36 -0.40 -0.00 0.00 0.00 178.16 177.86 3h6i n ASP 144 N -3.74 1.24 0.00 0.10 5.75 -1.26 -4.50 116.55 114.15 3h6i n ASP 144 Ca 0.20 -1.01 0.00 0.00 -0.01 0.00 0.00 54.79 53.97 3h6i n ASP 144 Cb 1.15 0.26 0.00 0.00 -1.03 0.00 0.00 41.12 41.50 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 1.38 0.95 3.75 6.12 0.00 -0.04 -4.02 105.19 113.32 3h6i n GLY 145 Ca 0.11 -0.03 -0.40 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 -2.03 7.54 -0.07 1.61 0.01 -1.25 -4.73 113.70 114.77 3h6i s SER 146 Ca 0.00 1.83 0.05 0.00 1.31 0.00 0.00 55.95 59.14 3h6i s SER 146 Cb 0.00 -2.58 -0.00 0.00 0.21 0.00 0.00 66.02 63.65 3h6i s SER 146 CO 0.00 0.09 -0.23 -0.51 0.41 0.00 0.00 173.24 173.00 3h6i s ILE 147 N -0.75 1.95 -0.06 1.44 2.07 -1.26 -1.20 121.20 123.39 3h6i s ILE 147 Ca 0.42 -0.99 0.03 0.00 -1.41 0.00 0.00 60.65 58.71 3h6i s ILE 147 Cb -0.24 -1.67 0.01 0.00 0.13 0.00 0.00 42.46 40.68 3h6i s ILE 147 CO 0.30 0.54 -0.16 0.00 -1.91 0.00 0.00 174.94 173.71 3h6i s ALA 148 N 0.10 1.51 -0.49 1.50 0.00 -0.09 -4.98 121.76 119.30 3h6i s ALA 148 Ca -0.11 -0.60 -0.21 0.00 0.00 0.00 0.00 51.96 51.05 3h6i s ALA 148 Cb -0.15 -0.59 0.04 0.00 0.00 0.00 0.00 23.12 22.42 3h6i s ALA 148 CO 0.06 0.20 0.69 0.34 0.00 0.00 0.00 175.76 177.04 3h6i s ASP 149 N 0.41 6.28 -0.19 0.00 -1.08 -1.26 -1.33 116.67 119.49 3h6i s ASP 149 Ca -0.12 -0.62 -0.09 0.00 -0.52 0.00 0.00 52.55 51.20 3h6i s ASP 149 Cb -0.15 -2.33 -0.05 0.00 -1.46 0.00 0.00 42.92 38.94 3h6i s ASP 149 CO 0.04 -0.92 0.10 -1.61 0.52 0.00 0.00 175.17 173.31 3h6i s GLU 150 N 2.94 4.10 0.28 4.34 0.41 -0.73 -5.03 118.70 125.01 3h6i s GLU 150 Ca 0.20 -0.27 0.23 0.00 -0.41 0.00 0.00 54.97 54.72 3h6i s GLU 150 Cb -0.16 -3.34 0.21 0.00 -1.78 0.00 0.00 34.13 29.05 3h6i s GLU 150 CO 0.16 0.28 1.32 -1.00 -0.49 0.00 0.00 175.26 175.53 3h6i h PRO 151 N 6.71 0.00 0.00 0.39 0.13 -1.95 -3.24 132.00 134.04 3h6i h PRO 151 Ca -0.39 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.72 3h6i h PRO 151 Cb 1.16 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.28 3h6i h PRO 151 CO 0.73 0.00 -1.07 0.72 -0.23 0.00 0.00 178.00 178.15 3h6i n HIS 152 N -2.73 0.00 -3.66 1.56 8.25 -1.26 -4.88 115.22 112.50 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 0.52 -0.05 -0.04 0.00 1.12 0.00 0.00 29.99 31.54 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 -2.02 -0.19 -0.01 4.41 -0.12 -1.26 -1.79 117.98 116.99 3h6i s PHE 153 Ca -0.02 -0.13 0.02 0.00 -0.05 0.00 0.00 56.93 56.75 3h6i s PHE 153 Cb 0.01 0.32 -0.00 0.00 -0.63 0.00 0.00 43.02 42.72 3h6i s PHE 153 CO 0.02 -0.79 -0.06 0.08 -0.05 0.00 0.00 175.22 174.43 3h6i s VAL 154 N -3.83 0.45 -0.07 -2.49 1.01 0.63 -4.89 120.40 111.22 3h6i s VAL 154 Ca 0.05 -0.23 0.02 0.00 0.00 0.00 0.00 61.98 61.83 3h6i s VAL 154 Cb 0.01 -0.40 0.01 0.00 0.00 0.00 0.00 36.38 36.00 3h6i s VAL 154 CO -0.09 0.14 -0.13 -0.69 0.00 0.00 0.00 175.10 174.33 3h6i s VAL 155 N -0.03 1.19 0.03 2.92 1.01 -1.26 -1.24 120.40 123.03 3h6i s VAL 155 Ca 0.01 -0.51 0.02 0.00 0.00 0.00 0.00 61.98 61.50 3h6i s VAL 155 Cb -0.03 -1.09 -0.02 0.00 0.00 0.00 0.00 36.38 35.24 3h6i s VAL 155 CO -0.00 0.37 -0.07 -0.04 0.00 0.00 0.00 175.10 175.36 3h6i s MET 156 N 0.69 0.49 0.02 2.72 -1.94 0.27 -5.01 119.30 116.53 3h6i s MET 156 Ca -0.14 -0.63 0.00 0.00 -1.71 0.00 0.00 55.69 53.21 3h6i s MET 156 Cb -0.16 -0.29 0.00 0.00 2.01 0.00 0.00 34.83 36.39 3h6i s MET 156 CO 0.04 0.06 0.00 0.41 -0.01 0.00 0.00 175.02 175.51 3h6i n GLY 157 N 1.79 -2.79 7.00 -0.03 0.00 -1.26 -0.27 105.19 109.63 3h6i n GLY 157 Ca -0.21 -1.32 0.00 0.00 0.00 0.00 0.00 46.02 44.50 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 -1.63 1.84 3.30 -0.02 0.00 -0.36 -4.19 105.19 104.13 3h6i n GLY 158 Ca -0.00 -0.61 -0.45 0.00 0.00 0.00 0.00 46.02 44.96 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 5.13 0.22 2.61 -4.23 -1.26 -4.31 115.64 113.80 3h6i s THR 159 Ca 0.00 -1.75 -0.01 0.00 -1.18 0.00 0.00 61.69 58.75 3h6i s THR 159 Cb 0.00 -4.27 -0.02 0.00 1.34 0.00 0.00 72.50 69.55 3h6i s THR 159 CO 0.00 -0.89 1.57 0.71 -0.54 0.00 0.00 174.62 175.47 3h6i h THR 160 N 5.69 1.31 -0.24 3.99 1.35 -1.95 -3.38 112.91 119.68 3h6i h THR 160 Ca -0.20 -1.66 0.01 0.00 -0.55 0.00 0.00 66.41 64.00 3h6i h THR 160 Cb 1.08 1.66 -0.01 0.00 -1.73 0.00 0.00 68.15 69.15 3h6i h THR 160 CO 0.96 0.52 0.15 -0.33 -0.25 0.00 0.00 175.52 176.56 3h6i h GLU 161 N 0.41 0.30 0.00 4.72 5.08 -1.96 0.14 114.58 123.27 3h6i h GLU 161 Ca 0.03 -0.02 -0.03 0.00 -1.00 0.00 0.00 59.36 58.33 3h6i h GLU 161 Cb 0.97 -0.07 -0.00 0.00 0.50 0.00 0.00 28.75 30.15 3h6i h GLU 161 CO 0.09 0.20 -0.16 -1.00 -1.00 0.00 0.00 179.01 177.13 3h6i h PRO 162 N 0.30 0.00 0.13 2.33 0.13 -1.85 -0.59 132.00 132.44 3h6i h PRO 162 Ca 0.09 0.00 -0.30 0.00 -0.87 0.00 0.00 66.00 64.92 3h6i h PRO 162 Cb -0.02 0.00 0.03 0.00 0.13 0.00 0.00 31.00 31.14 3h6i h PRO 162 CO -0.03 0.16 -1.27 0.82 -0.23 0.00 0.00 178.00 177.45 3h6i h ILE 163 N 0.00 1.28 -0.43 -3.56 2.04 -1.58 -2.40 117.51 112.87 3h6i h ILE 163 Ca -0.00 -2.48 -0.08 0.00 1.00 0.00 0.00 64.86 63.30 3h6i h ILE 163 Cb 0.35 2.72 -0.01 0.00 -0.74 0.00 0.00 36.82 39.14 3h6i h ILE 163 CO 0.02 0.76 -0.04 0.00 0.00 0.00 0.00 178.15 178.89 3h6i h ALA 164 N 0.28 0.58 -0.30 1.87 0.00 -0.45 -2.58 119.26 118.67 3h6i h ALA 164 Ca -0.19 -0.29 -0.12 0.00 0.00 0.00 0.00 54.91 54.31 3h6i h ALA 164 Cb 1.94 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 19.56 3h6i h ALA 164 CO 0.24 0.40 -0.30 -0.91 0.00 0.00 0.00 179.25 178.69 3h6i h ASN 165 N 0.61 0.65 0.34 0.00 -0.26 -1.18 -1.53 115.58 114.22 3h6i h ASN 165 Ca 0.12 -0.25 -0.08 0.00 -0.56 0.00 0.00 56.30 55.53 3h6i h ASN 165 Cb 0.55 -0.18 -0.01 0.00 -1.06 0.00 0.00 38.32 37.62 3h6i h ASN 165 CO 0.03 0.91 -0.36 0.00 -1.06 0.00 0.00 177.43 176.95 3h6i h ALA 166 N 1.13 1.37 0.24 -0.83 0.00 -1.35 -2.93 119.26 116.89 3h6i h ALA 166 Ca 0.07 -0.34 -0.34 0.00 0.00 0.00 0.00 54.91 54.30 3h6i h ALA 166 Cb 0.78 -0.06 0.03 0.00 0.00 0.00 0.00 17.79 18.54 3h6i h ALA 166 CO 0.06 0.47 -1.53 -0.07 0.00 0.00 0.00 179.25 178.18 3h6i h LEU 167 N 0.02 0.78 -1.92 0.00 3.38 -1.21 -2.71 115.31 113.66 3h6i h LEU 167 Ca 0.00 -0.89 0.23 0.00 0.09 0.00 0.00 57.88 57.31 3h6i h LEU 167 Cb 0.65 -0.25 -0.04 0.00 0.09 0.00 0.00 40.66 41.11 3h6i h LEU 167 CO 0.05 1.71 0.59 0.11 0.09 0.00 0.00 178.44 180.99 3h6i h LYS 168 N 0.14 0.06 0.02 1.13 1.57 -1.09 0.34 116.57 118.74 3h6i h LYS 168 Ca -0.27 -0.00 -0.36 0.00 -1.87 0.00 0.00 60.65 58.14 3h6i h LYS 168 Cb 2.15 -0.01 -0.05 0.00 0.08 0.00 0.00 32.23 34.40 3h6i h LYS 168 CO 0.25 0.04 -2.04 0.39 -0.57 0.00 0.00 179.45 177.53 3h6i n GLU 169 N -4.33 0.62 0.21 3.15 -0.58 -1.19 -4.51 120.64 114.01 3h6i n GLU 169 Ca 0.17 0.34 0.12 0.00 -0.42 0.00 0.00 57.16 57.37 3h6i n GLU 169 Cb 0.86 -1.62 0.21 0.00 -0.57 0.00 0.00 31.44 30.32 3h6i n GLU 169 CO 0.00 0.00 0.00 0.66 -0.48 0.00 0.00 177.13 177.31 3h6i h SER 170 N -0.62 0.00 -2.51 1.62 4.64 -1.11 -3.47 113.55 112.10 3h6i h SER 170 Ca -0.52 0.00 -0.53 0.00 -0.47 0.00 0.00 61.79 60.27 3h6i h SER 170 Cb 1.65 0.00 0.04 0.00 -0.31 0.00 0.00 62.40 63.78 3h6i h SER 170 CO -0.21 0.00 1.13 -0.47 -0.87 0.00 0.00 176.83 176.41 3h6i s TYR 171 N -3.20 2.05 -0.15 4.77 5.04 0.12 -5.00 117.35 120.98 3h6i s TYR 171 Ca 0.07 -0.07 0.00 0.00 -2.44 0.00 0.00 57.07 54.64 3h6i s TYR 171 Cb 0.06 -4.19 -0.00 0.00 0.35 0.00 0.00 41.96 38.18 3h6i s TYR 171 CO 0.66 -4.95 -0.16 0.00 -1.34 0.00 0.00 175.55 169.76 3h6i s ALA 172 N 2.92 2.48 -0.01 3.97 0.00 -1.26 -5.03 121.76 124.82 3h6i s ALA 172 Ca 0.82 -1.03 -0.30 0.00 0.00 0.00 0.00 51.96 51.45 3h6i s ALA 172 Cb -0.46 -1.19 -0.03 0.00 0.00 0.00 0.00 23.12 21.44 3h6i s ALA 172 CO 0.37 0.01 1.01 -2.00 0.00 0.00 0.00 175.76 175.15 3h6i s GLU 173 N 0.75 4.52 -0.60 0.00 2.12 -1.26 -3.36 118.70 120.87 3h6i s GLU 173 Ca -0.07 1.46 0.00 0.00 0.36 0.00 0.00 54.97 56.72 3h6i s GLU 173 Cb -0.15 -3.46 0.00 0.00 0.26 0.00 0.00 34.13 30.77 3h6i s GLU 173 CO 0.01 -0.12 0.00 0.09 -0.54 0.00 0.00 175.26 174.70 3h6i n ASN 174 N 4.09 -2.94 -4.75 -1.70 3.02 -1.26 -5.00 115.26 106.71 3h6i n ASN 174 Ca 0.07 0.05 -0.34 0.00 -0.03 0.00 0.00 54.58 54.32 3h6i n ASN 174 Cb 0.50 -1.87 0.05 0.00 -0.61 0.00 0.00 39.78 37.85 3h6i n ASN 174 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3h6i s ALA 175 N -2.30 2.41 1.13 5.41 0.00 -1.21 -4.27 121.76 122.92 3h6i s ALA 175 Ca 0.00 0.81 -0.19 0.00 0.00 0.00 0.00 51.96 52.59 3h6i s ALA 175 Cb 0.00 -3.41 0.26 0.00 0.00 0.00 0.00 23.12 19.98 3h6i s ALA 175 CO 0.00 -1.37 1.20 -1.54 0.00 0.00 0.00 175.76 174.05 3h6i s SER 176 N -2.04 1.62 0.08 0.00 1.04 -1.26 -2.06 113.70 111.08 3h6i s SER 176 Ca 0.73 0.44 -0.28 0.00 0.48 0.00 0.00 55.95 57.33 3h6i s SER 176 Cb -0.26 -0.57 -0.17 0.00 0.10 0.00 0.00 66.02 65.12 3h6i s SER 176 CO 0.38 -3.67 1.66 0.25 0.98 0.00 0.00 173.24 172.84 3h6i h LEU 177 N -2.28 -0.36 -0.70 2.42 5.85 -1.99 -0.96 115.31 117.30 3h6i h LEU 177 Ca -0.44 -0.00 0.05 0.00 0.84 0.00 0.00 57.88 58.33 3h6i h LEU 177 Cb 1.27 0.09 -0.05 0.00 0.37 0.00 0.00 40.66 42.33 3h6i h LEU 177 CO 0.33 -0.24 0.41 0.74 -0.34 0.00 0.00 178.44 179.34 3h6i h THR 178 N -0.44 1.01 -0.17 1.05 2.02 -1.93 -0.71 112.91 113.74 3h6i h THR 178 Ca -0.04 -0.26 -0.04 0.00 0.77 0.00 0.00 66.41 66.83 3h6i h THR 178 Cb 0.34 0.18 -0.00 0.00 -1.74 0.00 0.00 68.15 66.92 3h6i h THR 178 CO 0.07 0.14 -0.07 0.44 0.37 0.00 0.00 175.52 176.47 3h6i h ASP 179 N 0.76 0.35 -0.88 4.18 3.32 -1.90 -2.67 116.42 119.58 3h6i h ASP 179 Ca 0.30 -0.40 -0.01 0.00 0.02 0.00 0.00 57.03 56.94 3h6i h ASP 179 Cb 0.14 -0.10 -0.04 0.00 0.22 0.00 0.00 39.33 39.55 3h6i h ASP 179 CO -0.16 0.67 0.49 0.00 -1.72 0.00 0.00 179.24 178.52 3h6i h ALA 180 N 0.69 1.13 -0.29 3.45 0.00 -0.81 -1.43 119.26 122.00 3h6i h ALA 180 Ca 0.04 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 3h6i h ALA 180 Cb 0.53 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 3h6i h ALA 180 CO 0.02 0.62 0.15 1.25 0.00 0.00 0.00 179.25 181.30 3h6i h LEU 181 N 1.22 0.37 -0.65 0.00 5.85 -1.11 -1.41 115.31 119.59 3h6i h LEU 181 Ca 0.31 -0.10 -0.06 0.00 0.84 0.00 0.00 57.88 58.87 3h6i h LEU 181 Cb 0.01 -0.10 -0.03 0.00 0.37 0.00 0.00 40.66 40.92 3h6i h LEU 181 CO -0.05 0.37 0.19 0.03 -0.34 0.00 0.00 178.44 178.63 3h6i h ARG 182 N 0.35 1.02 -0.27 1.25 3.08 -1.11 0.12 114.38 118.83 3h6i h ARG 182 Ca 0.10 -0.23 -0.02 0.00 0.07 0.00 0.00 59.98 59.90 3h6i h ARG 182 Cb 0.08 -0.14 -0.01 0.00 0.08 0.00 0.00 29.97 29.98 3h6i h ARG 182 CO -0.02 0.90 0.06 0.82 -1.07 0.00 0.00 179.97 180.67 3h6i h ILE 183 N 0.94 1.13 0.14 2.04 2.04 -1.13 0.89 117.51 123.56 3h6i h ILE 183 Ca 0.21 -0.47 -0.19 0.00 1.00 0.00 0.00 64.86 65.41 3h6i h ILE 183 Cb 0.32 0.86 0.02 0.00 -0.74 0.00 0.00 36.82 37.29 3h6i h ILE 183 CO -0.00 0.17 -0.83 0.00 0.00 0.00 0.00 178.15 177.48 3h6i h ALA 184 N 1.70 -0.09 -0.58 1.87 0.00 -0.60 -2.92 119.26 118.64 3h6i h ALA 184 Ca 0.09 -0.70 -0.08 0.00 0.00 0.00 0.00 54.91 54.23 3h6i h ALA 184 Cb 0.16 0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 3h6i h ALA 184 CO -0.00 0.39 0.07 0.28 0.00 0.00 0.00 179.25 179.98 3h6i h VAL 185 N -0.34 1.26 -0.64 0.00 2.07 -0.47 -2.17 116.25 115.96 3h6i h VAL 185 Ca -0.14 -1.03 -0.02 0.00 0.82 0.00 0.00 66.70 66.33 3h6i h VAL 185 Cb 1.65 0.79 -0.03 0.00 -1.52 0.00 0.00 31.29 32.18 3h6i h VAL 185 CO 0.16 0.37 0.32 0.00 0.02 0.00 0.00 177.57 178.44 3h6i h ALA 186 N 1.00 1.36 0.00 1.67 0.00 -0.94 -2.14 119.26 120.21 3h6i h ALA 186 Ca 0.17 -0.12 -0.07 0.00 0.00 0.00 0.00 54.91 54.90 3h6i h ALA 186 Cb 0.45 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 3h6i h ALA 186 CO 0.02 0.51 -0.32 0.00 0.00 0.00 0.00 179.25 179.45 3h6i h ALA 187 N 1.46 0.91 0.00 0.00 0.00 -1.29 -3.19 119.26 117.14 3h6i h ALA 187 Ca 0.22 -0.29 -0.18 0.00 0.00 0.00 0.00 54.91 54.66 3h6i h ALA 187 Cb 0.07 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 3h6i h ALA 187 CO -0.03 0.40 -0.84 -0.07 0.00 0.00 0.00 179.25 178.71 3h6i h LEU 188 N 0.00 0.09 -2.57 0.00 3.38 -0.74 -3.09 115.31 112.38 3h6i h LEU 188 Ca -0.00 -0.07 -0.00 0.00 0.09 0.00 0.00 57.88 57.89 3h6i h LEU 188 Cb 0.98 -0.03 -0.00 0.00 0.09 0.00 0.00 40.66 41.70 3h6i h LEU 188 CO 0.04 0.88 -0.02 0.03 0.09 0.00 0.00 178.44 179.46 3h6i h ARG 189 N 0.04 0.00 -0.33 1.13 3.08 -1.49 -2.70 114.38 114.10 3h6i h ARG 189 Ca -0.02 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.03 3h6i h ARG 189 Cb 1.46 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.51 3h6i h ARG 189 CO 0.12 0.02 0.00 0.00 -1.07 0.00 0.00 179.97 179.03 3h6i n ALA 190 N -2.18 2.12 -0.07 0.04 0.00 -1.17 -5.16 120.51 114.10 3h6i n ALA 190 Ca -0.03 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.32 3h6i n ALA 190 Cb 0.12 -1.00 -0.06 0.00 0.00 0.00 0.00 19.45 18.50 3h6i n ALA 190 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3h6i n GLY 191 N 0.17 -0.19 2.14 0.00 0.00 -1.02 -4.54 105.19 101.74 3h6i n GLY 191 Ca 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 46.02 45.93 3h6i n GLY 191 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 3h6i n THR 202 N -2.89 0.00 -3.45 2.61 5.66 -1.26 -5.08 114.28 109.88 3h6i n THR 202 Ca -0.24 0.00 -0.27 0.00 -3.05 0.00 0.00 64.05 60.49 3h6i n THR 202 Cb 0.76 0.00 -0.10 0.00 -1.55 0.00 0.00 70.33 69.43 3h6i n THR 202 CO 0.00 0.00 0.00 -0.22 -3.05 0.00 0.00 175.07 171.80 3h6i s LEU 203 N 0.00 1.72 0.00 1.09 2.96 -1.26 -5.00 118.68 118.19 3h6i s LEU 203 Ca 0.00 -3.07 0.00 0.00 -0.22 0.00 0.00 54.13 50.84 3h6i s LEU 203 Cb 0.00 -0.56 0.00 0.00 0.50 0.00 0.00 46.19 46.13 3h6i s LEU 203 CO 0.00 -0.17 0.00 0.61 -1.32 0.00 0.00 176.35 175.47 3h6i n GLY 204 N 2.86 2.86 0.34 7.98 0.00 -1.26 -4.96 105.19 113.01 3h6i n GLY 204 Ca 0.27 -2.08 0.05 0.00 0.00 0.00 0.00 46.02 44.25 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 0.09 0.93 0.00 1.61 2.07 -1.96 -2.18 116.25 116.82 3h6i h VAL 205 Ca 0.00 -0.32 -0.01 0.00 0.82 0.00 0.00 66.70 67.19 3h6i h VAL 205 Cb 0.00 -0.07 -0.00 0.00 -1.52 0.00 0.00 31.29 29.70 3h6i h VAL 205 CO 0.00 0.17 -0.04 0.00 0.02 0.00 0.00 177.57 177.72 3h6i h ALA 206 N 1.49 1.09 -0.07 1.67 0.00 -1.95 -2.90 119.26 118.59 3h6i h ALA 206 Ca 0.45 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.31 3h6i h ALA 206 Cb 0.40 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 3h6i h ALA 206 CO -0.25 0.05 -0.06 -1.13 0.00 0.00 0.00 179.25 177.86 3h6i n SER 207 N -3.27 2.56 -4.05 0.00 3.41 -0.84 -4.54 113.62 106.89 3h6i n SER 207 Ca -0.01 -3.21 -0.19 0.00 -0.26 0.00 0.00 58.87 55.19 3h6i n SER 207 Cb 0.21 -0.47 -0.15 0.00 -0.26 0.00 0.00 64.21 63.54 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 -2.93 2.04 -0.21 1.04 1.43 -1.08 -1.47 118.68 117.50 3h6i s LEU 208 Ca 0.35 -0.22 -0.01 0.00 -1.03 0.00 0.00 54.13 53.22 3h6i s LEU 208 Cb 0.31 -0.52 0.01 0.00 0.03 0.00 0.00 46.19 46.02 3h6i s LEU 208 CO 0.03 0.11 -0.11 -0.70 0.23 0.00 0.00 176.35 175.90 3h6i s GLU 209 N -0.37 3.05 -0.00 1.70 2.12 -0.64 -4.83 118.70 119.72 3h6i s GLU 209 Ca 0.03 -0.82 0.04 0.00 0.36 0.00 0.00 54.97 54.58 3h6i s GLU 209 Cb -0.05 -2.83 -0.01 0.00 0.26 0.00 0.00 34.13 31.51 3h6i s GLU 209 CO -0.00 -0.27 -0.13 0.08 -0.54 0.00 0.00 175.26 174.40 3h6i s VAL 210 N 1.35 1.00 0.10 3.70 1.01 -1.26 -1.51 120.40 124.79 3h6i s VAL 210 Ca 0.04 -0.59 -0.25 0.00 0.00 0.00 0.00 61.98 61.18 3h6i s VAL 210 Cb -0.15 -0.85 0.07 0.00 0.00 0.00 0.00 36.38 35.46 3h6i s VAL 210 CO -0.07 0.25 0.62 0.00 0.00 0.00 0.00 175.10 175.89 3h6i s ALA 211 N -0.36 -1.63 0.18 5.51 0.00 -0.70 -1.66 121.76 123.09 3h6i s ALA 211 Ca 0.04 0.72 0.07 0.00 0.00 0.00 0.00 51.96 52.79 3h6i s ALA 211 Cb -0.05 0.63 -0.04 0.00 0.00 0.00 0.00 23.12 23.65 3h6i s ALA 211 CO -0.00 -0.65 -0.14 0.14 0.00 0.00 0.00 175.76 175.11 3h6i s VAL 212 N -3.01 1.59 -0.56 0.00 -7.23 -0.19 0.26 120.40 111.25 3h6i s VAL 212 Ca -0.02 -2.10 -0.05 0.00 -1.81 0.00 0.00 61.98 58.00 3h6i s VAL 212 Cb -0.01 -1.92 0.15 0.00 0.56 0.00 0.00 36.38 35.15 3h6i s VAL 212 CO -0.06 -0.58 0.40 -0.76 -0.31 0.00 0.00 175.10 173.78 3h6i s LEU 213 N -3.12 5.50 -0.58 1.32 1.43 -0.16 -1.20 118.68 121.87 3h6i s LEU 213 Ca 0.19 -2.43 -0.25 0.00 -1.03 0.00 0.00 54.13 50.61 3h6i s LEU 213 Cb -0.01 -1.92 0.04 0.00 0.03 0.00 0.00 46.19 44.33 3h6i s LEU 213 CO 0.05 -0.51 1.03 -0.62 0.23 0.00 0.00 176.35 176.54 3h6i s ASP 214 N 1.56 6.34 0.00 2.29 2.15 0.12 -1.86 116.67 127.27 3h6i s ASP 214 Ca 0.12 -0.29 0.05 0.00 0.43 0.00 0.00 52.55 52.87 3h6i s ASP 214 Cb -0.21 -2.47 0.23 0.00 -0.30 0.00 0.00 42.92 40.16 3h6i s ASP 214 CO -0.04 -1.36 1.15 0.00 -0.17 0.00 0.00 175.17 174.76 3h6i n ALA 215 N 7.88 1.27 1.26 3.66 0.00 -0.01 -1.53 120.51 133.03 3h6i n ALA 215 Ca 0.03 -0.02 0.13 0.00 0.00 0.00 0.00 53.44 53.58 3h6i n ALA 215 Cb 0.48 -1.09 0.35 0.00 0.00 0.00 0.00 19.45 19.19 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 -1.47 1.40 -4.75 0.00 5.15 -1.26 -4.47 115.26 109.85 3h6i n ASN 216 Ca 0.01 -1.20 -0.40 0.00 -0.60 0.00 0.00 54.58 52.40 3h6i n ASN 216 Cb 0.06 0.14 -0.06 0.00 -0.53 0.00 0.00 39.78 39.39 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 -2.34 4.84 0.17 1.20 1.81 -0.59 -4.98 118.95 119.07 3h6i s ARG 217 Ca 0.27 1.48 -0.14 0.00 -1.72 0.00 0.00 55.73 55.63 3h6i s ARG 217 Cb 0.20 -3.29 0.08 0.00 -0.45 0.00 0.00 34.95 31.49 3h6i s ARG 217 CO 0.47 0.49 1.82 -1.35 -0.68 0.00 0.00 175.30 176.05 3h6i h PRO 218 N 4.28 0.61 0.00 3.54 0.11 -1.89 -3.41 132.00 135.23 3h6i h PRO 218 Ca -0.45 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.63 3h6i h PRO 218 Cb 1.20 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 32.17 3h6i h PRO 218 CO 0.68 0.40 -0.28 -2.13 -0.21 0.00 0.00 178.00 176.46 3h6i n ARG 219 N -4.78 0.00 -3.04 1.05 0.63 -1.26 -4.36 116.66 104.89 3h6i n ARG 219 Ca 0.03 0.00 -0.43 0.00 -0.92 0.00 0.00 57.85 56.53 3h6i n ARG 219 Cb 0.06 -0.25 -0.05 0.00 0.45 0.00 0.00 32.46 32.66 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 -2.00 3.18 0.28 -0.14 0.52 -1.26 -4.30 118.95 115.24 3h6i s ARG 220 Ca 0.00 -0.71 0.15 0.00 -0.52 0.00 0.00 55.73 54.65 3h6i s ARG 220 Cb 0.00 -4.09 0.26 0.00 0.52 0.00 0.00 34.95 31.64 3h6i s ARG 220 CO 0.00 -1.34 1.53 0.00 0.02 0.00 0.00 175.30 175.52 3h6i h ALA 221 N 9.12 0.76 -2.47 2.13 0.00 -1.45 -3.45 119.26 123.90 3h6i h ALA 221 Ca -0.27 -0.51 -0.53 0.00 0.00 0.00 0.00 54.91 53.60 3h6i h ALA 221 Cb 1.09 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 18.80 3h6i h ALA 221 CO 1.02 0.70 0.78 0.12 0.00 0.00 0.00 179.25 181.86 3h6i s PHE 222 N -3.20 3.05 -0.06 0.00 5.36 -1.26 0.14 117.98 122.00 3h6i s PHE 222 Ca 0.02 0.87 -0.03 0.00 -0.96 0.00 0.00 56.93 56.83 3h6i s PHE 222 Cb 0.10 -3.68 0.03 0.00 -0.34 0.00 0.00 43.02 39.13 3h6i s PHE 222 CO 0.74 -2.46 0.14 0.50 -1.46 0.00 0.00 175.22 172.69 3h6i s ARG 223 N 1.70 0.10 -0.04 10.12 3.52 -0.34 -4.95 118.95 129.06 3h6i s ARG 223 Ca 0.65 0.34 -0.16 0.00 -0.13 0.00 0.00 55.73 56.43 3h6i s ARG 223 Cb -0.35 -0.13 -0.05 0.00 -1.56 0.00 0.00 34.95 32.86 3h6i s ARG 223 CO 0.29 -0.14 0.42 1.03 -0.81 0.00 0.00 175.30 176.09 3h6i s ARG 224 N 0.97 4.05 -0.41 5.12 0.52 -1.26 -1.02 118.95 126.92 3h6i s ARG 224 Ca -0.07 0.41 -0.05 0.00 -0.52 0.00 0.00 55.73 55.50 3h6i s ARG 224 Cb -0.10 -3.28 0.10 0.00 0.52 0.00 0.00 34.95 32.19 3h6i s ARG 224 CO -0.05 0.54 0.21 0.42 0.02 0.00 0.00 175.30 176.44 3h6i s ILE 225 N -0.59 3.55 0.40 1.52 1.01 -0.67 -4.98 121.20 121.45 3h6i s ILE 225 Ca 0.24 -1.82 0.04 0.00 0.00 0.00 0.00 60.65 59.11 3h6i s ILE 225 Cb -0.16 -3.32 -0.05 0.00 0.01 0.00 0.00 42.46 38.93 3h6i s ILE 225 CO 0.12 -0.60 0.05 0.42 0.00 0.00 0.00 174.94 174.93 3h6i s THR 226 N 1.24 1.28 0.00 2.92 -4.23 -1.26 -4.27 115.64 111.32 3h6i s THR 226 Ca 0.05 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.56 3h6i s THR 226 Cb -0.23 -2.63 0.00 0.00 1.34 0.00 0.00 72.50 70.98 3h6i s THR 226 CO -0.02 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.67 3h6i n GLY 227 N -0.93 2.81 0.30 3.99 0.00 -1.26 -2.42 105.19 107.68 3h6i n GLY 227 Ca -0.07 -0.06 -0.00 0.00 0.00 0.00 0.00 46.02 45.89 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 0.41 0.77 -0.96 1.61 4.64 -1.99 -1.45 113.55 116.57 3h6i h SER 228 Ca 0.00 0.02 0.01 0.00 -0.47 0.00 0.00 61.79 61.34 3h6i h SER 228 Cb 0.00 -0.14 -0.05 0.00 -0.31 0.00 0.00 62.40 61.90 3h6i h SER 228 CO 0.00 0.50 0.64 0.00 -0.87 0.00 0.00 176.83 177.10 3h6i h ALA 229 N 1.38 1.22 -0.36 5.18 0.00 -1.93 0.45 119.26 125.20 3h6i h ALA 229 Ca 0.34 -0.07 -0.07 0.00 0.00 0.00 0.00 54.91 55.12 3h6i h ALA 229 Cb 0.14 -0.39 -0.02 0.00 0.00 0.00 0.00 17.79 17.52 3h6i h ALA 229 CO -0.16 0.62 -0.07 1.25 0.00 0.00 0.00 179.25 180.89 3h6i h LEU 230 N 1.31 0.57 -0.66 0.00 5.85 -1.06 -3.01 115.31 118.32 3h6i h LEU 230 Ca 0.35 -0.14 0.03 0.00 0.84 0.00 0.00 57.88 58.96 3h6i h LEU 230 Cb -0.15 -0.15 -0.04 0.00 0.37 0.00 0.00 40.66 40.69 3h6i h LEU 230 CO -0.08 0.68 0.41 -0.61 -0.34 0.00 0.00 178.44 178.51 3h6i h GLN 231 N 0.55 0.78 -0.56 1.25 -0.00 0.11 -2.79 115.11 114.45 3h6i h GLN 231 Ca 0.11 -0.05 -0.03 0.00 -0.00 0.00 0.00 58.65 58.68 3h6i h GLN 231 Cb 0.45 -0.18 -0.02 0.00 0.00 0.00 0.00 27.48 27.73 3h6i h GLN 231 CO 0.02 0.52 0.22 0.00 0.00 0.00 0.00 178.83 179.59 3h6i h ALA 232 N 1.28 0.72 -0.62 3.38 0.00 -1.26 -3.21 119.26 119.56 3h6i h ALA 232 Ca 0.26 -0.16 -0.06 0.00 0.00 0.00 0.00 54.91 54.95 3h6i h ALA 232 Cb 0.02 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.56 3h6i h ALA 232 CO -0.10 0.34 0.14 -0.07 0.00 0.00 0.00 179.25 179.55 3h6i h LEU 233 N 0.76 0.93 0.00 0.00 4.07 -1.51 -3.52 115.31 116.04 3h6i h LEU 233 Ca 0.19 -0.19 0.00 0.00 0.08 0.00 0.00 57.88 57.95 3h6i h LEU 233 Cb 0.20 -0.24 0.00 0.00 1.08 0.00 0.00 40.66 41.70 3h6i h LEU 233 CO -0.01 0.91 0.00 0.18 -1.08 0.00 0.00 178.44 178.44