#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 0.10 0.15 -1.46 0.11 -2.06 -1.08 132.00 127.76 3h6i h PRO 9 Ca 0.00 -0.01 -0.26 0.00 0.11 0.00 0.00 66.00 65.85 3h6i h PRO 9 Cb 0.00 -0.02 0.03 0.00 0.11 0.00 0.00 31.00 31.12 3h6i h PRO 9 CO 0.00 0.06 -1.10 0.93 -0.21 0.00 0.00 178.00 177.68 3h6i h GLU 10 N 0.10 0.48 0.01 1.05 4.39 -2.06 -3.03 114.58 115.52 3h6i h GLU 10 Ca 0.55 -0.72 -0.20 0.00 0.34 0.00 0.00 59.36 59.33 3h6i h GLU 10 Cb 1.97 0.25 -0.02 0.00 -0.10 0.00 0.00 28.75 30.85 3h6i h GLU 10 CO -0.08 1.33 -0.91 0.37 -1.16 0.00 0.00 179.01 178.55 3h6i h GLN 11 N -0.01 0.11 -0.23 2.33 4.15 -1.89 -3.02 115.11 116.56 3h6i h GLN 11 Ca -0.18 -0.14 -0.01 0.00 0.77 0.00 0.00 58.65 59.09 3h6i h GLN 11 Cb 1.83 0.04 -0.01 0.00 0.21 0.00 0.00 27.48 29.56 3h6i h GLN 11 CO 0.21 0.95 0.09 0.00 -1.93 0.00 0.00 178.83 178.14 3h6i h ALA 12 N 1.00 0.29 0.00 3.38 0.00 -1.32 -0.61 119.26 122.00 3h6i h ALA 12 Ca -0.04 -0.11 -0.04 0.00 0.00 0.00 0.00 54.91 54.72 3h6i h ALA 12 Cb 1.58 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 19.27 3h6i h ALA 12 CO 0.13 -0.11 -0.21 1.98 0.00 0.00 0.00 179.25 181.04 3h6i h MET 13 N 0.21 0.00 0.23 0.00 4.05 -1.57 -1.74 114.93 116.11 3h6i h MET 13 Ca 0.08 0.00 -0.33 0.00 -0.28 0.00 0.00 59.70 59.16 3h6i h MET 13 Cb 0.18 0.00 0.03 0.00 -0.80 0.00 0.00 31.60 31.01 3h6i h MET 13 CO -0.01 0.21 -1.50 -0.09 0.23 0.00 0.00 176.91 175.75 3h6i h ARG 14 N 0.00 0.48 -0.38 0.39 2.43 -1.35 -2.77 114.38 113.18 3h6i h ARG 14 Ca -0.00 -0.82 -0.14 0.00 -0.81 0.00 0.00 59.98 58.21 3h6i h ARG 14 Cb 0.42 0.30 -0.01 0.00 -0.42 0.00 0.00 29.97 30.27 3h6i h ARG 14 CO 0.03 1.39 -0.33 0.93 -1.51 0.00 0.00 179.97 180.47 3h6i h GLU 15 N 0.13 0.86 -0.51 0.20 5.08 -0.88 -1.90 114.58 117.57 3h6i h GLU 15 Ca -0.25 -0.42 -0.07 0.00 -1.00 0.00 0.00 59.36 57.62 3h6i h GLU 15 Cb 2.13 -0.00 -0.02 0.00 0.50 0.00 0.00 28.75 31.36 3h6i h GLU 15 CO 0.25 1.06 0.05 0.00 -1.00 0.00 0.00 179.01 179.37 3h6i h ARG 16 N 0.72 0.86 -0.90 2.33 3.08 -1.44 -1.13 114.38 117.91 3h6i h ARG 16 Ca 0.07 -0.25 0.02 0.00 0.07 0.00 0.00 59.98 59.90 3h6i h ARG 16 Cb 0.90 -0.09 -0.05 0.00 0.08 0.00 0.00 29.97 30.81 3h6i h ARG 16 CO 0.08 0.87 0.58 0.77 -1.07 0.00 0.00 179.97 181.21 3h6i h SER 17 N 0.74 0.99 -0.29 7.04 0.02 -1.35 -2.07 113.55 118.61 3h6i h SER 17 Ca 0.15 -0.01 -0.08 0.00 -0.84 0.00 0.00 61.79 61.01 3h6i h SER 17 Cb 0.45 -0.23 -0.01 0.00 0.14 0.00 0.00 62.40 62.75 3h6i h SER 17 CO 0.02 0.69 -0.12 -0.33 -1.14 0.00 0.00 176.83 175.95 3h6i h GLU 18 N 1.16 0.60 -0.88 3.45 4.39 -1.02 -0.30 114.58 121.98 3h6i h GLU 18 Ca 0.35 -0.25 0.06 0.00 0.34 0.00 0.00 59.36 59.85 3h6i h GLU 18 Cb -0.05 -0.02 -0.06 0.00 -0.10 0.00 0.00 28.75 28.52 3h6i h GLU 18 CO -0.10 0.82 0.55 1.25 -1.16 0.00 0.00 179.01 180.37 3h6i h LEU 19 N 0.36 0.88 0.03 1.33 6.46 -0.85 -0.54 115.31 122.97 3h6i h LEU 19 Ca 0.07 0.01 -0.00 0.00 -0.12 0.00 0.00 57.88 57.84 3h6i h LEU 19 Cb 0.63 -0.17 0.00 0.00 -0.73 0.00 0.00 40.66 40.39 3h6i h LEU 19 CO 0.04 0.56 -0.01 0.00 -0.62 0.00 0.00 178.44 178.41 3h6i h ALA 20 N 1.41 -0.03 -0.85 1.25 0.00 -1.26 -2.74 119.26 117.03 3h6i h ALA 20 Ca 0.38 -0.29 0.06 0.00 0.00 0.00 0.00 54.91 55.06 3h6i h ALA 20 Cb 0.15 0.01 -0.05 0.00 0.00 0.00 0.00 17.79 17.90 3h6i h ALA 20 CO -0.17 -0.22 0.56 -0.09 0.00 0.00 0.00 179.25 179.33 3h6i h ARG 21 N -0.63 0.94 -0.49 0.00 2.43 -0.73 -1.77 114.38 114.13 3h6i h ARG 21 Ca -0.00 -0.06 -0.13 0.00 -0.81 0.00 0.00 59.98 58.98 3h6i h ARG 21 Cb 0.59 -0.21 -0.01 0.00 -0.42 0.00 0.00 29.97 29.91 3h6i h ARG 21 CO 0.01 0.62 -0.21 0.87 -1.51 0.00 0.00 179.97 179.75 3h6i h LYS 22 N 0.97 1.01 -0.28 0.20 1.57 -1.15 -0.69 116.57 118.19 3h6i h LYS 22 Ca 0.36 -0.43 -0.09 0.00 -1.87 0.00 0.00 60.65 58.62 3h6i h LYS 22 Cb 0.18 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.44 3h6i h LYS 22 CO -0.13 1.11 -0.22 0.78 -0.57 0.00 0.00 179.45 180.42 3h6i h GLY 23 N 0.87 0.57 0.95 3.86 0.00 -1.08 -1.75 103.07 106.49 3h6i h GLY 23 Ca 0.11 -0.46 -0.15 0.00 0.00 0.00 0.00 47.33 46.83 3h6i h GLY 23 CO 0.07 0.42 -0.51 -2.22 0.00 0.00 0.00 176.54 174.30 3h6i h ILE 24 N 0.47 1.34 0.00 2.60 2.04 -1.23 -3.07 117.51 119.66 3h6i h ILE 24 Ca 0.07 -1.77 -0.03 0.00 1.00 0.00 0.00 64.86 64.13 3h6i h ILE 24 Cb 0.65 2.03 -0.00 0.00 -0.74 0.00 0.00 36.82 38.76 3h6i h ILE 24 CO 0.05 0.55 -0.13 0.00 0.00 0.00 0.00 178.15 178.62 3h6i h ALA 25 N 0.53 1.70 0.00 1.87 0.00 -0.95 -1.68 119.26 120.73 3h6i h ALA 25 Ca -0.02 -0.11 -0.08 0.00 0.00 0.00 0.00 54.91 54.70 3h6i h ALA 25 Cb 1.13 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.89 3h6i h ALA 25 CO 0.11 0.16 -0.38 -0.09 0.00 0.00 0.00 179.25 179.05 3h6i h ARG 26 N 0.00 0.00 -7.16 0.00 2.43 -1.26 -3.33 114.38 105.06 3h6i h ARG 26 Ca -0.00 0.00 -0.48 0.00 -0.81 0.00 0.00 59.98 58.69 3h6i h ARG 26 Cb 0.23 0.00 0.06 0.00 -0.42 0.00 0.00 29.97 29.84 3h6i h ARG 26 CO 0.02 0.38 0.21 0.00 -1.51 0.00 0.00 179.97 179.06 3h6i s ALA 27 N -3.24 3.25 0.91 2.80 0.00 -0.78 -4.93 121.76 119.77 3h6i s ALA 27 Ca 0.03 -0.62 -0.11 0.00 0.00 0.00 0.00 51.96 51.26 3h6i s ALA 27 Cb 0.08 -2.67 0.14 0.00 0.00 0.00 0.00 23.12 20.67 3h6i s ALA 27 CO 0.70 -0.82 1.11 0.15 0.00 0.00 0.00 175.76 176.91 3h6i s LYS 28 N -5.03 1.09 0.10 0.00 -0.14 -1.26 -1.87 119.74 112.63 3h6i s LYS 28 Ca 0.54 1.30 -0.01 0.00 -1.36 0.00 0.00 55.97 56.44 3h6i s LYS 28 Cb -0.11 -1.75 -0.04 0.00 -1.68 0.00 0.00 37.83 34.25 3h6i s LYS 28 CO 0.46 -2.50 0.27 -1.12 -0.76 0.00 0.00 175.35 171.71 3h6i s SER 29 N -2.90 6.39 0.01 2.83 0.01 -1.26 -4.03 113.70 114.75 3h6i s SER 29 Ca 0.65 0.35 0.04 0.00 1.31 0.00 0.00 55.95 58.31 3h6i s SER 29 Cb -0.21 -1.99 -0.01 0.00 0.21 0.00 0.00 66.02 64.01 3h6i s SER 29 CO 0.58 0.11 -0.12 -0.69 0.41 0.00 0.00 173.24 173.54 3h6i s VAL 30 N -1.60 0.93 -0.03 3.43 1.01 0.70 -2.08 120.40 122.76 3h6i s VAL 30 Ca 0.37 -0.72 0.03 0.00 0.00 0.00 0.00 61.98 61.66 3h6i s VAL 30 Cb -0.12 -0.82 0.00 0.00 0.00 0.00 0.00 36.38 35.44 3h6i s VAL 30 CO 0.27 0.10 -0.11 -0.69 0.00 0.00 0.00 175.10 174.67 3h6i s VAL 31 N -0.57 0.97 -0.09 2.92 1.01 0.19 -0.17 120.40 124.64 3h6i s VAL 31 Ca 0.02 -0.45 0.01 0.00 0.00 0.00 0.00 61.98 61.56 3h6i s VAL 31 Cb -0.06 -0.86 0.02 0.00 0.00 0.00 0.00 36.38 35.48 3h6i s VAL 31 CO 0.00 0.30 -0.10 0.00 0.00 0.00 0.00 175.10 175.29 3h6i s ALA 32 N 0.23 1.34 0.01 5.51 0.00 -0.28 -0.66 121.76 127.92 3h6i s ALA 32 Ca -0.05 -0.51 -0.05 0.00 0.00 0.00 0.00 51.96 51.35 3h6i s ALA 32 Cb -0.10 -0.75 -0.01 0.00 0.00 0.00 0.00 23.12 22.26 3h6i s ALA 32 CO 0.01 -0.15 0.07 -0.48 0.00 0.00 0.00 175.76 175.21 3h6i s LEU 33 N 1.17 1.83 0.07 0.00 0.05 -0.25 -0.57 118.68 120.99 3h6i s LEU 33 Ca -0.05 -0.35 -0.29 0.00 0.05 0.00 0.00 54.13 53.50 3h6i s LEU 33 Cb -0.14 0.46 -0.05 0.00 -2.05 0.00 0.00 46.19 44.41 3h6i s LEU 33 CO -0.03 -0.36 0.92 0.00 -0.55 0.00 0.00 176.35 176.33 3h6i s ALA 34 N -1.55 3.25 0.00 1.48 0.00 -0.77 -0.58 121.76 123.60 3h6i s ALA 34 Ca -0.14 0.50 0.00 0.00 0.00 0.00 0.00 51.96 52.32 3h6i s ALA 34 Cb -0.08 -3.23 0.00 0.00 0.00 0.00 0.00 23.12 19.81 3h6i s ALA 34 CO 0.00 -0.05 0.00 2.48 0.00 0.00 0.00 175.76 178.19 3h6i n TYR 35 N 3.05 0.00 -0.00 0.00 0.18 -0.77 -4.72 117.16 114.90 3h6i n TYR 35 Ca 0.02 0.00 -0.12 0.00 1.88 0.00 0.00 57.90 59.68 3h6i n TYR 35 Cb 0.50 0.00 -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 1.00 0.05 -0.27 -3.48 0.00 -1.58 -3.24 119.26 111.75 3h6i h ALA 36 Ca 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.77 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 -0.38 0.25 0.00 0.00 0.00 -1.26 -5.01 105.19 98.79 3h6i n GLY 37 Ca -0.07 -0.29 0.00 0.00 0.00 0.00 0.00 46.02 45.66 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 0.93 0.64 3.21 -0.02 0.00 -1.22 -1.07 105.19 107.66 3h6i n GLY 38 Ca 0.09 -0.84 -0.24 0.00 0.00 0.00 0.00 46.02 45.03 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 1.49 -0.08 1.61 1.01 -0.74 -1.84 120.40 121.85 3h6i s VAL 39 Ca 0.00 -1.12 0.05 0.00 0.00 0.00 0.00 61.98 60.91 3h6i s VAL 39 Cb 0.00 -1.30 -0.00 0.00 0.00 0.00 0.00 36.38 35.07 3h6i s VAL 39 CO 0.00 0.15 -0.23 -0.22 0.00 0.00 0.00 175.10 174.80 3h6i s LEU 40 N -1.13 2.04 -0.15 3.92 2.96 0.25 -1.05 118.68 125.52 3h6i s LEU 40 Ca 0.06 -0.51 0.00 0.00 -0.22 0.00 0.00 54.13 53.46 3h6i s LEU 40 Cb -0.08 -1.32 -0.00 0.00 0.50 0.00 0.00 46.19 45.28 3h6i s LEU 40 CO 0.02 0.18 -0.15 -0.36 -1.32 0.00 0.00 176.35 174.72 3h6i s PHE 41 N 0.16 2.78 -0.06 5.38 0.08 0.10 -1.09 117.98 125.33 3h6i s PHE 41 Ca -0.12 -0.95 0.01 0.00 0.12 0.00 0.00 56.93 55.99 3h6i s PHE 41 Cb -0.16 -1.87 0.02 0.00 -0.57 0.00 0.00 43.02 40.44 3h6i s PHE 41 CO 0.06 -0.41 -0.06 0.08 -0.10 0.00 0.00 175.22 174.79 3h6i s VAL 42 N 0.69 0.70 0.03 -0.44 1.01 0.16 -1.63 120.40 120.93 3h6i s VAL 42 Ca -0.07 -0.18 0.02 0.00 0.00 0.00 0.00 61.98 61.74 3h6i s VAL 42 Cb -0.16 -0.72 -0.02 0.00 0.00 0.00 0.00 36.38 35.48 3h6i s VAL 42 CO 0.02 0.28 -0.06 0.00 0.00 0.00 0.00 175.10 175.33 3h6i s ALA 43 N 1.15 0.43 -0.47 5.51 0.00 -0.51 -0.64 121.76 127.23 3h6i s ALA 43 Ca -0.07 -0.64 -0.29 0.00 0.00 0.00 0.00 51.96 50.96 3h6i s ALA 43 Cb -0.14 0.05 0.03 0.00 0.00 0.00 0.00 23.12 23.06 3h6i s ALA 43 CO -0.01 -0.04 1.17 -1.21 0.00 0.00 0.00 175.76 175.67 3h6i s GLU 44 N -1.34 3.71 -0.28 0.00 2.02 -0.88 -1.84 118.70 120.09 3h6i s GLU 44 Ca -0.10 0.62 -0.01 0.00 0.02 0.00 0.00 54.97 55.50 3h6i s GLU 44 Cb -0.09 -3.92 0.14 0.00 0.10 0.00 0.00 34.13 30.36 3h6i s GLU 44 CO 0.00 -1.40 0.32 1.21 0.02 0.00 0.00 175.26 175.40 3h6i s ASN 45 N 2.64 1.27 0.44 -0.19 2.47 -1.20 -4.69 114.94 115.69 3h6i s ASN 45 Ca 0.50 -0.53 0.23 0.00 0.42 0.00 0.00 52.86 53.47 3h6i s ASN 45 Cb -0.08 0.66 1.01 0.00 -1.45 0.00 0.00 41.25 41.39 3h6i s ASN 45 CO 0.32 -0.37 1.88 1.55 -3.72 0.00 0.00 177.10 176.76 3h6i h PRO 46 N 8.24 0.00 -6.99 0.43 0.13 -1.83 -3.14 132.00 128.84 3h6i h PRO 46 Ca -0.13 0.00 -0.50 0.00 -0.87 0.00 0.00 66.00 64.50 3h6i h PRO 46 Cb 1.10 0.00 0.05 0.00 0.13 0.00 0.00 31.00 32.28 3h6i h PRO 46 CO 0.31 0.24 0.46 0.45 -0.23 0.00 0.00 178.00 179.24 3h6i s SER 47 N -6.29 6.34 0.01 1.44 0.15 -1.26 -4.79 113.70 109.29 3h6i s SER 47 Ca -0.01 2.23 0.22 0.00 0.70 0.00 0.00 55.95 59.09 3h6i s SER 47 Cb 0.12 -2.60 -0.17 0.00 -1.71 0.00 0.00 66.02 61.65 3h6i s SER 47 CO 0.64 -0.80 0.80 -2.11 1.20 0.00 0.00 173.24 172.97 3h6i n ARG 48 N -0.37 0.34 0.00 5.44 1.85 -1.26 -4.62 116.66 118.04 3h6i n ARG 48 Ca 0.07 -0.07 0.00 0.00 -1.00 0.00 0.00 57.85 56.85 3h6i n ARG 48 Cb 0.48 -1.55 0.00 0.00 -1.05 0.00 0.00 32.46 30.35 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 -1.95 4.38 -4.40 2.89 3.41 -1.26 -4.94 113.62 111.75 3h6i n SER 49 Ca 0.00 0.00 -0.45 0.00 -0.26 0.00 0.00 58.87 58.17 3h6i n SER 49 Cb 0.45 0.71 -0.03 0.00 -0.26 0.00 0.00 64.21 65.09 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 -3.00 5.48 0.16 1.04 1.43 -1.26 -5.04 118.68 117.49 3h6i s LEU 50 Ca 0.00 -1.93 -0.29 0.00 -1.03 0.00 0.00 54.13 50.88 3h6i s LEU 50 Cb 0.00 -2.33 -0.07 0.00 0.03 0.00 0.00 46.19 43.82 3h6i s LEU 50 CO 0.00 -1.00 0.91 -1.10 0.23 0.00 0.00 176.35 175.39 3h6i s GLN 51 N 2.23 4.72 -0.01 1.70 -0.21 -1.26 -4.85 119.66 121.98 3h6i s GLN 51 Ca 0.22 1.38 0.18 0.00 0.02 0.00 0.00 55.36 57.17 3h6i s GLN 51 Cb -0.13 -3.32 -0.24 0.00 1.00 0.00 0.00 33.01 30.32 3h6i s GLN 51 CO -0.03 0.38 0.55 1.63 -2.12 0.00 0.00 175.29 175.70 3h6i n LYS 52 N 2.15 0.84 -5.22 2.91 5.02 -1.26 -4.96 118.16 117.64 3h6i n LYS 52 Ca -0.01 -0.09 -0.30 0.00 -2.02 0.00 0.00 58.31 55.89 3h6i n LYS 52 Cb 0.48 -1.38 -0.16 0.00 -0.02 0.00 0.00 35.03 33.95 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 -2.99 1.93 0.10 -0.18 1.01 -1.26 -1.17 121.20 118.64 3h6i s ILE 53 Ca -0.01 -1.04 -0.24 0.00 0.00 0.00 0.00 60.65 59.37 3h6i s ILE 53 Cb 0.12 -1.61 0.06 0.00 0.01 0.00 0.00 42.46 41.05 3h6i s ILE 53 CO 0.74 0.55 0.58 -0.55 0.00 0.00 0.00 174.94 176.25 3h6i s SER 54 N -0.51 -0.53 0.37 3.58 0.15 0.55 -4.99 113.70 112.32 3h6i s SER 54 Ca 0.08 0.14 -0.26 0.00 0.70 0.00 0.00 55.95 56.60 3h6i s SER 54 Cb -0.10 0.56 -0.09 0.00 -1.71 0.00 0.00 66.02 64.68 3h6i s SER 54 CO -0.00 -0.84 1.15 -0.70 1.20 0.00 0.00 173.24 174.05 3h6i s GLU 55 N -3.03 4.23 -0.02 5.44 2.12 -1.26 0.33 118.70 126.51 3h6i s GLU 55 Ca -0.02 1.83 -0.05 0.00 0.36 0.00 0.00 54.97 57.08 3h6i s GLU 55 Cb -0.00 -2.81 -0.02 0.00 0.26 0.00 0.00 34.13 31.55 3h6i s GLU 55 CO -0.06 -0.17 -0.11 1.28 -0.54 0.00 0.00 175.26 175.66 3h6i n LEU 56 N 0.37 1.09 0.00 2.70 4.77 -0.59 -4.76 117.00 120.59 3h6i n LEU 56 Ca 0.03 0.16 -0.10 0.00 -0.03 0.00 0.00 56.01 56.07 3h6i n LEU 56 Cb 0.46 -0.39 -0.03 0.00 -2.33 0.00 0.00 43.42 41.14 3h6i n LEU 56 CO 0.51 -0.33 0.06 0.00 -1.33 0.00 0.00 177.39 176.31 3h6i n TYR 57 N -3.65 -0.94 -0.18 -1.77 9.36 -0.99 -4.73 117.16 114.26 3h6i n TYR 57 Ca -0.09 -1.60 -0.04 0.00 3.32 0.00 0.00 57.90 59.49 3h6i n TYR 57 Cb 0.32 0.31 0.06 0.00 -0.63 0.00 0.00 39.34 39.40 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 1.29 0.43 -0.21 2.98 3.32 -1.94 -2.59 116.42 119.70 3h6i h ASP 58 Ca -0.17 0.02 0.00 0.00 0.02 0.00 0.00 57.03 56.90 3h6i h ASP 58 Cb 0.77 -0.06 0.00 0.00 0.22 0.00 0.00 39.33 40.26 3h6i h ASP 58 CO 0.23 0.30 0.00 0.54 -1.72 0.00 0.00 179.24 178.59 3h6i n ARG 59 N -4.85 1.86 -4.77 3.56 5.12 -1.26 -1.06 116.66 115.26 3h6i n ARG 59 Ca 0.05 -1.70 -0.33 0.00 -1.93 0.00 0.00 57.85 53.94 3h6i n ARG 59 Cb 0.13 -1.27 -0.13 0.00 -1.16 0.00 0.00 32.46 30.03 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 -1.01 3.20 0.31 1.55 1.01 -0.98 -2.06 120.40 122.42 3h6i s VAL 60 Ca 0.20 -0.64 0.08 0.00 0.00 0.00 0.00 61.98 61.62 3h6i s VAL 60 Cb 0.12 -2.31 -0.06 0.00 0.00 0.00 0.00 36.38 34.13 3h6i s VAL 60 CO 0.16 0.56 -0.07 -0.83 0.00 0.00 0.00 175.10 174.92 3h6i s GLY 61 N -0.20 1.99 0.04 4.51 0.00 0.17 -1.54 107.32 112.30 3h6i s GLY 61 Ca 0.01 -1.99 0.04 0.00 0.00 0.00 0.00 44.72 42.78 3h6i s GLY 61 CO 0.03 -1.92 -0.12 -0.12 0.00 0.00 0.00 173.10 170.96 3h6i s PHE 62 N -2.85 1.08 -0.14 1.90 2.19 0.15 -1.49 117.98 118.82 3h6i s PHE 62 Ca 0.31 -0.36 -0.15 0.00 0.33 0.00 0.00 56.93 57.07 3h6i s PHE 62 Cb 0.03 -0.64 0.04 0.00 -1.31 0.00 0.00 43.02 41.14 3h6i s PHE 62 CO 0.14 0.02 0.41 0.00 1.83 0.00 0.00 175.22 177.62 3h6i s ALA 63 N -0.88 -1.02 0.09 11.12 0.00 -0.37 -0.33 121.76 130.36 3h6i s ALA 63 Ca -0.00 1.10 -0.08 0.00 0.00 0.00 0.00 51.96 52.99 3h6i s ALA 63 Cb -0.08 -0.60 -0.01 0.00 0.00 0.00 0.00 23.12 22.43 3h6i s ALA 63 CO 0.01 -0.20 0.16 0.00 0.00 0.00 0.00 175.76 175.73 3h6i s ALA 64 N 0.06 -0.11 0.01 0.00 0.00 -0.31 -0.23 121.76 121.18 3h6i s ALA 64 Ca -0.01 -0.71 0.01 0.00 0.00 0.00 0.00 51.96 51.25 3h6i s ALA 64 Cb -0.03 0.48 -0.01 0.00 0.00 0.00 0.00 23.12 23.56 3h6i s ALA 64 CO 0.01 -0.50 -0.05 0.00 0.00 0.00 0.00 175.76 175.22 3h6i s ALA 65 N -3.87 0.40 0.00 0.00 0.00 -0.43 -4.85 121.76 113.00 3h6i s ALA 65 Ca 0.06 -0.40 0.00 0.00 0.00 0.00 0.00 51.96 51.62 3h6i s ALA 65 Cb 0.05 -0.03 0.00 0.00 0.00 0.00 0.00 23.12 23.14 3h6i s ALA 65 CO -0.10 0.03 0.00 0.41 0.00 0.00 0.00 175.76 176.10 3h6i n GLY 66 N 2.39 0.47 3.62 0.00 0.00 -1.26 -1.11 105.19 109.31 3h6i n GLY 66 Ca -0.17 -1.75 -0.43 0.00 0.00 0.00 0.00 46.02 43.67 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 -1.09 3.90 0.16 1.61 2.20 -0.44 -4.90 119.74 121.17 3h6i s LYS 67 Ca 0.00 1.06 -0.27 0.00 -0.36 0.00 0.00 55.97 56.40 3h6i s LYS 67 Cb 0.00 -3.86 0.02 0.00 -1.51 0.00 0.00 37.83 32.48 3h6i s LYS 67 CO 0.00 -1.14 1.56 0.35 -0.36 0.00 0.00 175.35 175.76 3h6i h PHE 68 N 9.06 -1.35 -0.74 4.03 3.57 -1.96 -1.20 116.94 128.34 3h6i h PHE 68 Ca -0.24 0.08 0.22 0.00 3.53 0.00 0.00 57.97 61.56 3h6i h PHE 68 Cb 1.08 0.67 -0.03 0.00 2.79 0.00 0.00 35.95 40.46 3h6i h PHE 68 CO 0.89 -0.43 0.54 -2.95 -2.23 0.00 0.00 178.31 174.13 3h6i h ASN 69 N -0.23 0.00 0.15 0.41 -0.00 -1.99 0.15 115.58 114.07 3h6i h ASN 69 Ca 0.17 0.00 -0.23 0.00 -0.00 0.00 0.00 56.30 56.24 3h6i h ASN 69 Cb 0.56 -0.00 0.02 0.00 -0.00 0.00 0.00 38.32 38.90 3h6i h ASN 69 CO -0.69 0.00 -1.06 -0.33 -0.00 0.00 0.00 177.43 175.35 3h6i h GLU 70 N 0.01 0.33 0.00 4.14 5.08 -1.65 -3.03 114.58 119.45 3h6i h GLU 70 Ca 0.35 -0.56 -0.09 0.00 -1.00 0.00 0.00 59.36 58.06 3h6i h GLU 70 Cb 1.42 0.21 -0.01 0.00 0.50 0.00 0.00 28.75 30.86 3h6i h GLU 70 CO -0.01 1.27 -0.46 0.27 -1.00 0.00 0.00 179.01 179.08 3h6i h PHE 71 N -0.27 0.00 -0.21 4.33 -5.15 -0.76 -2.94 116.94 111.93 3h6i h PHE 71 Ca -0.20 0.00 -0.14 0.00 -0.20 0.00 0.00 57.97 57.43 3h6i h PHE 71 Cb 1.75 0.00 -0.01 0.00 0.22 0.00 0.00 35.95 37.92 3h6i h PHE 71 CO 0.17 0.44 -0.46 0.22 -2.00 0.00 0.00 178.31 176.69 3h6i h ASP 72 N 0.00 0.58 -0.45 -0.68 3.58 -1.11 -0.62 116.42 117.72 3h6i h ASP 72 Ca -0.01 -0.28 -0.03 0.00 0.42 0.00 0.00 57.03 57.14 3h6i h ASP 72 Cb 1.34 -0.16 -0.02 0.00 1.72 0.00 0.00 39.33 42.21 3h6i h ASP 72 CO 0.06 0.95 0.18 -1.13 -2.88 0.00 0.00 179.24 176.42 3h6i h ASN 73 N 0.43 0.66 0.36 2.28 -1.24 -1.45 -0.87 115.58 115.74 3h6i h ASN 73 Ca 0.03 -0.08 -0.24 0.00 0.71 0.00 0.00 56.30 56.71 3h6i h ASN 73 Cb 0.97 -0.17 0.01 0.00 0.73 0.00 0.00 38.32 39.86 3h6i h ASN 73 CO 0.09 0.61 -1.01 -0.07 -1.29 0.00 0.00 177.43 175.76 3h6i h LEU 74 N 0.71 0.55 -0.51 0.34 3.38 -1.30 -1.77 115.31 116.71 3h6i h LEU 74 Ca 0.17 -0.46 -0.00 0.00 0.09 0.00 0.00 57.88 57.67 3h6i h LEU 74 Cb 0.17 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.73 3h6i h LEU 74 CO -0.01 1.28 0.31 -0.09 0.09 0.00 0.00 178.44 180.01 3h6i h ARG 75 N 0.22 0.69 -0.31 1.13 2.43 -0.72 -0.07 114.38 117.75 3h6i h ARG 75 Ca -0.10 -0.06 -0.05 0.00 -0.81 0.00 0.00 59.98 58.96 3h6i h ARG 75 Cb 1.66 -0.15 -0.01 0.00 -0.42 0.00 0.00 29.97 31.05 3h6i h ARG 75 CO 0.17 0.51 0.00 0.00 -1.51 0.00 0.00 179.97 179.14 3h6i h ARG 76 N 0.68 0.54 -0.18 0.20 3.08 -1.12 -2.00 114.38 115.58 3h6i h ARG 76 Ca 0.18 -0.17 -0.03 0.00 0.07 0.00 0.00 59.98 60.03 3h6i h ARG 76 Cb -0.01 -0.05 -0.01 0.00 0.08 0.00 0.00 29.97 29.98 3h6i h ARG 76 CO -0.03 0.68 -0.03 0.78 -1.07 0.00 0.00 179.97 180.30 3h6i h GLY 77 N 0.34 0.27 1.07 0.04 0.00 -1.10 -0.50 103.07 103.19 3h6i h GLY 77 Ca 0.09 -0.14 -0.19 0.00 0.00 0.00 0.00 47.33 47.09 3h6i h GLY 77 CO 0.02 0.13 -0.64 -1.33 0.00 0.00 0.00 176.54 174.72 3h6i h GLY 78 N 0.57 0.79 1.17 4.60 0.00 -0.74 -1.20 103.07 108.26 3h6i h GLY 78 Ca 0.06 -1.08 -0.07 0.00 0.00 0.00 0.00 47.33 46.24 3h6i h GLY 78 CO 0.01 0.96 0.12 -2.22 0.00 0.00 0.00 176.54 175.41 3h6i h ILE 79 N 0.42 1.25 -0.04 2.60 2.04 -0.83 -0.03 117.51 122.92 3h6i h ILE 79 Ca -0.03 -0.97 -0.00 0.00 1.00 0.00 0.00 64.86 64.85 3h6i h ILE 79 Cb 1.27 0.63 -0.00 0.00 -0.74 0.00 0.00 36.82 37.98 3h6i h ILE 79 CO 0.13 0.37 0.02 -0.61 0.00 0.00 0.00 178.15 178.06 3h6i h GLN 80 N 0.97 0.06 -0.08 2.37 5.75 -1.01 -0.74 115.11 122.43 3h6i h GLN 80 Ca 0.20 -0.01 0.00 0.00 -0.15 0.00 0.00 58.65 58.69 3h6i h GLN 80 Cb 0.39 -0.01 -0.00 0.00 1.07 0.00 0.00 27.48 28.93 3h6i h GLN 80 CO 0.01 0.20 0.05 0.35 -2.65 0.00 0.00 178.83 176.79 3h6i h PHE 81 N -0.10 0.10 -0.62 3.99 3.57 -1.02 -2.11 116.94 120.76 3h6i h PHE 81 Ca 0.01 0.00 -0.05 0.00 3.53 0.00 0.00 57.97 61.47 3h6i h PHE 81 Cb 0.16 -0.03 -0.03 0.00 2.79 0.00 0.00 35.95 38.84 3h6i h PHE 81 CO -0.02 0.08 0.21 0.00 -2.23 0.00 0.00 178.31 176.34 3h6i h ALA 82 N 1.02 0.81 -0.42 2.41 0.00 -0.83 -1.41 119.26 120.84 3h6i h ALA 82 Ca 0.03 -0.20 -0.11 0.00 0.00 0.00 0.00 54.91 54.63 3h6i h ALA 82 Cb -0.00 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.53 3h6i h ALA 82 CO -0.01 0.47 -0.17 -0.44 0.00 0.00 0.00 179.25 179.10 3h6i h ASP 83 N 0.89 0.81 -0.24 0.00 3.32 -1.04 -0.12 116.42 120.03 3h6i h ASP 83 Ca 0.20 -0.27 -0.07 0.00 0.02 0.00 0.00 57.03 56.91 3h6i h ASP 83 Cb 0.27 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 39.59 3h6i h ASP 83 CO -0.01 0.97 -0.14 0.74 -1.72 0.00 0.00 179.24 179.08 3h6i h THR 84 N 0.71 1.31 -0.29 0.35 2.02 -1.29 -2.16 112.91 113.56 3h6i h THR 84 Ca 0.11 -1.25 -0.01 0.00 0.77 0.00 0.00 66.41 66.03 3h6i h THR 84 Cb 0.68 1.61 -0.01 0.00 -1.74 0.00 0.00 68.15 68.68 3h6i h THR 84 CO 0.05 0.39 0.14 0.03 0.37 0.00 0.00 175.52 176.50 3h6i h ARG 85 N 0.23 0.41 0.00 6.66 2.47 -1.07 -0.95 114.38 122.12 3h6i h ARG 85 Ca 0.05 -0.06 -0.05 0.00 -1.26 0.00 0.00 59.98 58.66 3h6i h ARG 85 Cb 0.66 -0.08 -0.01 0.00 -1.65 0.00 0.00 29.97 28.90 3h6i h ARG 85 CO 0.04 0.38 -0.24 0.78 0.56 0.00 0.00 179.97 181.48 3h6i h GLY 86 N 0.33 0.00 0.87 0.04 0.00 -1.00 -0.75 103.07 102.56 3h6i h GLY 86 Ca 0.10 0.00 -0.22 0.00 0.00 0.00 0.00 47.33 47.21 3h6i h GLY 86 CO -0.01 0.00 -0.95 -1.82 0.00 0.00 0.00 176.54 173.75 3h6i h TYR 87 N 0.00 0.70 0.00 5.60 3.20 -0.95 -3.22 116.97 122.30 3h6i h TYR 87 Ca -0.00 -0.48 -0.08 0.00 3.14 0.00 0.00 58.73 61.31 3h6i h TYR 87 Cb 0.50 -0.04 -0.01 0.00 1.54 0.00 0.00 36.73 38.72 3h6i h TYR 87 CO 0.00 1.35 -0.39 0.00 -1.64 0.00 0.00 178.16 177.48 3h6i h ALA 88 N 0.16 0.96 -3.00 1.82 0.00 -0.99 -3.44 119.26 114.77 3h6i h ALA 88 Ca -0.16 -0.35 0.00 0.00 0.00 0.00 0.00 54.91 54.40 3h6i h ALA 88 Cb 1.72 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.45 3h6i h ALA 88 CO 0.18 0.48 0.00 0.66 0.00 0.00 0.00 179.25 180.57 3h6i n TYR 89 N -3.50 0.00 -3.98 0.00 4.01 -0.31 -5.09 117.16 108.30 3h6i n TYR 89 Ca -0.00 0.00 -0.10 0.00 -0.16 0.00 0.00 57.90 57.64 3h6i n TYR 89 Cb 0.53 0.00 -0.07 0.00 -0.31 0.00 0.00 39.34 39.49 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 0.95 0.08 0.54 7.72 1.47 -1.21 -4.98 116.67 121.23 3h6i s ASP 90 Ca 0.00 -0.91 0.25 0.00 1.18 0.00 0.00 52.55 53.07 3h6i s ASP 90 Cb 0.00 0.41 1.54 0.00 -0.34 0.00 0.00 42.92 44.54 3h6i s ASP 90 CO 0.00 -0.87 2.16 0.03 0.68 0.00 0.00 175.17 177.17 3h6i h ARG 91 N 2.59 0.00 0.00 2.11 3.08 -1.90 -2.41 114.38 117.85 3h6i h ARG 91 Ca -0.32 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.73 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 0.50 0.06 0.00 -2.13 -1.07 0.00 0.00 179.97 177.32 3h6i n ARG 92 N -3.95 0.17 0.18 0.04 0.63 -1.26 -2.77 116.66 109.70 3h6i n ARG 92 Ca -0.03 0.30 0.03 0.00 -0.92 0.00 0.00 57.85 57.23 3h6i n ARG 92 Cb 0.14 -1.77 0.34 0.00 0.45 0.00 0.00 32.46 31.62 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 -3.06 6.15 3.58 -1.80 -3.41 116.42 117.88 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 0.47 0.00 -0.05 0.00 1.72 0.00 0.00 39.33 41.48 3h6i h ASP 93 CO 0.00 0.40 0.78 -0.69 -2.88 0.00 0.00 179.24 176.85 3h6i s VAL 94 N -4.03 4.54 0.18 2.25 1.01 -1.12 -4.91 120.40 118.32 3h6i s VAL 94 Ca -0.02 1.85 0.00 0.00 0.00 0.00 0.00 61.98 63.81 3h6i s VAL 94 Cb 0.14 -4.19 -0.04 0.00 0.00 0.00 0.00 36.38 32.28 3h6i s VAL 94 CO 0.72 -0.12 0.07 0.42 0.00 0.00 0.00 175.10 176.19 3h6i s THR 95 N 2.98 0.30 0.15 3.92 -4.23 -1.26 -4.94 115.64 112.56 3h6i s THR 95 Ca 0.49 -1.96 -0.11 0.00 -1.18 0.00 0.00 61.69 58.93 3h6i s THR 95 Cb -0.18 -2.26 -0.00 0.00 1.34 0.00 0.00 72.50 71.39 3h6i s THR 95 CO 0.12 -0.29 1.54 1.23 -0.54 0.00 0.00 174.62 176.68 3h6i h GLY 96 N 2.69 1.05 0.89 3.99 0.00 -1.94 -1.65 103.07 108.09 3h6i h GLY 96 Ca -0.36 -0.93 0.03 0.00 0.00 0.00 0.00 47.33 46.07 3h6i h GLY 96 CO 0.59 0.85 0.50 0.07 0.00 0.00 0.00 176.54 178.55 3h6i h ARG 97 N 0.81 0.95 0.15 4.80 0.11 -1.96 0.22 114.38 119.47 3h6i h ARG 97 Ca 0.11 -0.06 -0.01 0.00 0.10 0.00 0.00 59.98 60.12 3h6i h ARG 97 Cb 0.78 -0.21 0.00 0.00 1.11 0.00 0.00 29.97 31.65 3h6i h ARG 97 CO 0.06 0.63 -0.07 0.37 0.10 0.00 0.00 179.97 181.06 3h6i h GLN 98 N 0.98 -0.20 -0.35 0.08 4.15 -1.85 -1.99 115.11 115.94 3h6i h GLN 98 Ca 0.31 0.01 -0.06 0.00 0.77 0.00 0.00 58.65 59.68 3h6i h GLN 98 Cb -0.01 0.05 -0.01 0.00 0.21 0.00 0.00 27.48 27.72 3h6i h GLN 98 CO -0.11 -0.08 -0.02 -0.07 -1.93 0.00 0.00 178.83 176.62 3h6i h LEU 99 N -0.27 0.62 -1.38 -2.39 3.38 -0.92 -2.21 115.31 112.13 3h6i h LEU 99 Ca -0.02 -0.33 0.03 0.00 0.09 0.00 0.00 57.88 57.66 3h6i h LEU 99 Cb 0.21 -0.17 -0.04 0.00 0.09 0.00 0.00 40.66 40.76 3h6i h LEU 99 CO 0.03 0.80 0.44 0.00 0.09 0.00 0.00 178.44 179.81 3h6i h ALA 100 N 0.85 1.63 -0.16 1.53 0.00 -0.58 -0.61 119.26 121.92 3h6i h ALA 100 Ca 0.10 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.95 3h6i h ALA 100 Cb 0.49 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 3h6i h ALA 100 CO 0.02 0.30 0.03 -0.97 0.00 0.00 0.00 179.25 178.63 3h6i h ASN 101 N 0.80 0.25 -0.76 0.00 -0.73 -1.13 -1.78 115.58 112.24 3h6i h ASN 101 Ca 0.27 -0.25 -0.00 0.00 1.87 0.00 0.00 56.30 58.18 3h6i h ASN 101 Cb 0.07 -0.07 -0.04 0.00 0.27 0.00 0.00 38.32 38.56 3h6i h ASN 101 CO -0.08 0.44 0.46 0.58 -0.37 0.00 0.00 177.43 178.46 3h6i h VAL 102 N 0.05 1.22 -0.32 2.57 2.07 -0.76 -1.88 116.25 119.19 3h6i h VAL 102 Ca 0.05 -0.48 -0.12 0.00 0.82 0.00 0.00 66.70 66.97 3h6i h VAL 102 Cb 0.29 0.13 -0.01 0.00 -1.52 0.00 0.00 31.29 30.18 3h6i h VAL 102 CO 0.00 0.23 -0.31 1.88 0.02 0.00 0.00 177.57 179.39 3h6i h TYR 103 N 1.06 0.79 -0.45 1.57 0.05 -1.00 -1.96 116.97 117.03 3h6i h TYR 103 Ca 0.28 -0.20 -0.02 0.00 0.05 0.00 0.00 58.73 58.84 3h6i h TYR 103 Cb -0.04 -0.18 -0.02 0.00 1.01 0.00 0.00 36.73 37.50 3h6i h TYR 103 CO 0.00 0.91 0.21 0.00 -1.05 0.00 0.00 178.16 178.23 3h6i h ALA 104 N 1.08 0.58 -0.47 3.88 0.00 -0.82 0.19 119.26 123.70 3h6i h ALA 104 Ca 0.07 -0.12 -0.04 0.00 0.00 0.00 0.00 54.91 54.82 3h6i h ALA 104 Cb 0.81 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.41 3h6i h ALA 104 CO 0.07 0.14 0.13 1.96 0.00 0.00 0.00 179.25 181.55 3h6i h GLN 105 N 0.58 0.74 -0.03 0.00 1.08 -1.30 -0.09 115.11 116.08 3h6i h GLN 105 Ca 0.15 -0.17 -0.00 0.00 -1.45 0.00 0.00 58.65 57.18 3h6i h GLN 105 Cb 0.13 -0.10 -0.00 0.00 -0.05 0.00 0.00 27.48 27.45 3h6i h GLN 105 CO -0.02 0.72 0.00 1.15 -0.95 0.00 0.00 178.83 179.73 3h6i h THR 106 N 0.63 1.23 -0.43 -0.54 2.02 -1.04 -1.21 112.91 113.57 3h6i h THR 106 Ca 0.15 -0.70 -0.09 0.00 0.77 0.00 0.00 66.41 66.54 3h6i h THR 106 Cb 0.30 1.64 -0.02 0.00 -1.74 0.00 0.00 68.15 68.33 3h6i h THR 106 CO -0.00 0.19 -0.12 -0.07 0.37 0.00 0.00 175.52 175.89 3h6i h LEU 107 N -0.22 0.76 -0.88 2.58 3.38 -0.59 -1.49 115.31 118.86 3h6i h LEU 107 Ca 0.01 -0.23 -0.05 0.00 0.09 0.00 0.00 57.88 57.70 3h6i h LEU 107 Cb 0.30 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 40.81 3h6i h LEU 107 CO 0.00 0.90 0.23 1.23 0.09 0.00 0.00 178.44 180.89 3h6i h GLY 108 N 0.97 1.13 1.28 0.83 0.00 -0.92 0.69 103.07 107.05 3h6i h GLY 108 Ca 0.12 -0.64 -0.15 0.00 0.00 0.00 0.00 47.33 46.65 3h6i h GLY 108 CO 0.04 0.60 -0.42 -0.84 0.00 0.00 0.00 176.54 175.92 3h6i h THR 109 N 1.02 1.28 -0.21 4.70 2.02 -0.97 -2.62 112.91 118.12 3h6i h THR 109 Ca 0.23 -1.60 -0.03 0.00 0.77 0.00 0.00 66.41 65.78 3h6i h THR 109 Cb 0.27 1.49 -0.01 0.00 -1.74 0.00 0.00 68.15 68.16 3h6i h THR 109 CO -0.01 0.52 0.02 0.40 0.37 0.00 0.00 175.52 176.82 3h6i h ILE 110 N 0.63 1.24 -0.18 3.11 2.04 -0.62 0.26 117.51 123.99 3h6i h ILE 110 Ca 0.05 -0.81 0.05 0.00 1.00 0.00 0.00 64.86 65.15 3h6i h ILE 110 Cb 0.98 1.36 -0.01 0.00 -0.74 0.00 0.00 36.82 38.41 3h6i h ILE 110 CO 0.09 0.25 0.13 0.15 0.00 0.00 0.00 178.15 178.77 3h6i h PHE 111 N 0.15 0.01 0.00 1.37 3.57 -0.85 -1.70 116.94 119.48 3h6i h PHE 111 Ca 0.06 0.00 -0.21 0.00 3.53 0.00 0.00 57.97 61.35 3h6i h PHE 111 Cb 0.35 -0.00 -0.03 0.00 2.79 0.00 0.00 35.95 39.06 3h6i h PHE 111 CO 0.03 0.01 -1.23 2.41 -2.23 0.00 0.00 178.31 177.30 3h6i n THR 112 N -4.49 1.52 -0.05 4.41 -1.04 -0.99 -4.77 114.28 108.87 3h6i n THR 112 Ca 0.01 -0.01 -0.18 0.00 -2.04 0.00 0.00 64.05 61.83 3h6i n THR 112 Cb 0.26 -2.09 -0.13 0.00 -1.82 0.00 0.00 70.33 66.55 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 0.08 -7.15 -2.82 3.07 -0.36 -3.48 114.58 102.94 3h6i h GLU 113 Ca -0.32 -0.14 -0.50 0.00 -0.50 0.00 0.00 59.36 57.90 3h6i h GLU 113 Cb 1.20 0.05 0.08 0.00 -0.84 0.00 0.00 28.75 29.24 3h6i h GLU 113 CO -0.19 1.07 0.40 -0.65 -1.40 0.00 0.00 179.01 178.23 3h6i s GLN 114 N -2.34 3.20 0.17 2.33 -0.21 -0.65 -4.97 119.66 117.19 3h6i s GLN 114 Ca -0.21 1.43 -0.14 0.00 0.02 0.00 0.00 55.36 56.46 3h6i s GLN 114 Cb 0.02 -2.00 0.07 0.00 1.00 0.00 0.00 33.01 32.09 3h6i s GLN 114 CO 0.69 -0.93 1.81 0.00 -2.12 0.00 0.00 175.29 174.74 3h6i h ALA 115 N 0.68 0.69 -3.28 6.09 0.00 -1.92 -3.42 119.26 118.10 3h6i h ALA 115 Ca -0.48 -0.07 -0.66 0.00 0.00 0.00 0.00 54.91 53.70 3h6i h ALA 115 Cb 1.24 -0.22 -0.29 0.00 0.00 0.00 0.00 17.79 18.52 3h6i h ALA 115 CO 0.56 0.17 -0.80 0.21 0.00 0.00 0.00 179.25 179.39 3h6i s LYS 116 N -5.99 3.26 0.68 0.00 2.20 -1.26 -5.11 119.74 113.52 3h6i s LYS 116 Ca -0.13 -0.75 -0.14 0.00 -0.36 0.00 0.00 55.97 54.60 3h6i s LYS 116 Cb 0.12 -2.56 0.01 0.00 -1.51 0.00 0.00 37.83 33.89 3h6i s LYS 116 CO 0.75 0.14 1.09 -1.25 -0.36 0.00 0.00 175.35 175.73 3h6i s PRO 117 N 0.50 2.79 0.09 4.03 0.04 -1.26 -4.88 135.00 136.30 3h6i s PRO 117 Ca -0.11 1.26 -0.31 0.00 0.04 0.00 0.00 61.00 61.89 3h6i s PRO 117 Cb -0.16 -1.96 -0.06 0.00 0.04 0.00 0.00 34.50 32.36 3h6i s PRO 117 CO 0.05 -1.24 1.25 0.71 0.04 0.00 0.00 177.00 177.80 3h6i s TYR 118 N -2.55 3.39 -1.40 0.56 1.51 -1.26 -4.86 117.35 112.73 3h6i s TYR 118 Ca 0.64 1.22 -0.10 0.00 -1.01 0.00 0.00 57.07 57.82 3h6i s TYR 118 Cb -0.18 -3.49 0.07 0.00 -0.11 0.00 0.00 41.96 38.25 3h6i s TYR 118 CO 0.45 -1.56 2.31 0.39 -1.11 0.00 0.00 175.55 176.02 3h6i n GLU 119 N 3.81 3.70 -4.12 -0.62 1.02 -1.26 -4.72 120.64 118.45 3h6i n GLU 119 Ca 0.09 -3.03 -0.08 0.00 -0.02 0.00 0.00 57.16 54.12 3h6i n GLU 119 Cb 0.45 -2.91 -0.10 0.00 -0.02 0.00 0.00 31.44 28.86 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 1.02 0.34 -0.04 2.62 -7.23 -1.26 -1.33 120.40 114.51 3h6i s VAL 120 Ca 0.51 -1.85 -0.01 0.00 -1.81 0.00 0.00 61.98 58.81 3h6i s VAL 120 Cb 0.15 -1.62 0.03 0.00 0.56 0.00 0.00 36.38 35.50 3h6i s VAL 120 CO -0.05 -0.91 0.08 -0.70 -0.31 0.00 0.00 175.10 173.20 3h6i s GLU 121 N -3.91 -0.01 0.09 4.82 2.12 -0.26 -3.19 118.70 118.36 3h6i s GLU 121 Ca 0.10 0.31 0.09 0.00 0.36 0.00 0.00 54.97 55.83 3h6i s GLU 121 Cb 0.07 -0.29 -0.04 0.00 0.26 0.00 0.00 34.13 34.14 3h6i s GLU 121 CO -0.07 -0.21 -0.20 -0.51 -0.54 0.00 0.00 175.26 173.72 3h6i s LEU 122 N 1.44 2.56 -0.09 2.70 1.02 -0.12 -1.31 118.68 124.87 3h6i s LEU 122 Ca -0.05 -0.56 0.00 0.00 0.02 0.00 0.00 54.13 53.54 3h6i s LEU 122 Cb -0.12 -1.45 0.02 0.00 0.02 0.00 0.00 46.19 44.66 3h6i s LEU 122 CO -0.04 0.21 -0.08 0.00 0.02 0.00 0.00 176.35 176.46 3h6i s VAL 124 N 1.43 3.28 0.16 0.00 1.01 -0.72 -1.24 120.40 124.32 3h6i s VAL 124 Ca -0.01 -0.55 0.11 0.00 0.00 0.00 0.00 61.98 61.53 3h6i s VAL 124 Cb -0.13 -2.45 -0.04 0.00 0.00 0.00 0.00 36.38 33.76 3h6i s VAL 124 CO -0.05 0.47 -0.24 0.00 0.00 0.00 0.00 175.10 175.28 3h6i s ALA 125 N 0.95 2.36 -0.02 5.51 0.00 -0.56 -0.71 121.76 129.29 3h6i s ALA 125 Ca -0.01 -1.52 -0.00 0.00 0.00 0.00 0.00 51.96 50.42 3h6i s ALA 125 Cb -0.15 -0.33 0.02 0.00 0.00 0.00 0.00 23.12 22.66 3h6i s ALA 125 CO 0.00 0.45 0.03 -2.00 0.00 0.00 0.00 175.76 174.24 3h6i s GLU 126 N -2.37 -0.00 0.40 0.00 2.12 -0.40 -0.65 118.70 117.79 3h6i s GLU 126 Ca 0.16 0.13 0.08 0.00 0.36 0.00 0.00 54.97 55.70 3h6i s GLU 126 Cb -0.09 -0.13 -0.04 0.00 0.26 0.00 0.00 34.13 34.13 3h6i s GLU 126 CO 0.08 -0.10 0.22 0.14 -0.54 0.00 0.00 175.26 175.06 3h6i s VAL 127 N 0.62 2.52 0.78 3.70 -7.23 -0.87 -0.99 120.40 118.93 3h6i s VAL 127 Ca -0.05 -1.61 -0.11 0.00 -1.81 0.00 0.00 61.98 58.39 3h6i s VAL 127 Cb -0.07 -2.99 0.07 0.00 0.56 0.00 0.00 36.38 33.94 3h6i s VAL 127 CO -0.02 -0.03 1.12 0.00 -0.31 0.00 0.00 175.10 175.85 3h6i s ALA 128 N -2.54 2.11 0.71 1.32 0.00 -1.26 -4.84 121.76 117.26 3h6i s ALA 128 Ca 0.42 0.43 -0.11 0.00 0.00 0.00 0.00 51.96 52.70 3h6i s ALA 128 Cb 0.01 -3.33 0.02 0.00 0.00 0.00 0.00 23.12 19.81 3h6i s ALA 128 CO 0.24 -1.92 1.07 -1.01 0.00 0.00 0.00 175.76 174.14 3h6i s HIS 129 N -2.69 3.01 0.18 0.00 3.76 -1.26 -4.81 115.29 113.48 3h6i s HIS 129 Ca 0.64 1.45 -0.33 0.00 -0.15 0.00 0.00 55.06 56.67 3h6i s HIS 129 Cb -0.20 -2.91 -0.13 0.00 1.11 0.00 0.00 32.58 30.44 3h6i s HIS 129 CO 0.53 -1.34 1.58 0.98 -0.85 0.00 0.00 174.74 175.65 3h6i n TYR 130 N -3.19 2.36 -1.01 1.40 9.36 -1.26 -2.14 117.16 122.69 3h6i n TYR 130 Ca 0.08 0.25 -0.00 0.00 3.32 0.00 0.00 57.90 61.55 3h6i n TYR 130 Cb 0.53 -2.56 -0.00 0.00 -0.63 0.00 0.00 39.34 36.69 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 3.31 0.44 3.57 2.98 0.00 -1.26 -5.03 105.19 109.20 3h6i n GLY 131 Ca 0.16 -0.07 -0.26 0.00 0.00 0.00 0.00 46.02 45.85 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 -0.44 2.06 -0.32 1.61 2.02 -0.91 -5.11 118.70 117.62 3h6i s GLU 132 Ca 0.00 -1.33 0.02 0.00 0.02 0.00 0.00 54.97 53.69 3h6i s GLU 132 Cb 0.00 -2.13 0.08 0.00 0.10 0.00 0.00 34.13 32.18 3h6i s GLU 132 CO 0.00 0.42 0.01 0.95 0.02 0.00 0.00 175.26 176.65 3h6i s THR 133 N -1.84 2.44 -0.08 3.63 -4.23 -1.26 -4.74 115.64 109.56 3h6i s THR 133 Ca 0.26 -1.96 -0.06 0.00 -1.18 0.00 0.00 61.69 58.75 3h6i s THR 133 Cb -0.08 -2.62 0.03 0.00 1.34 0.00 0.00 72.50 71.17 3h6i s THR 133 CO 0.16 -0.36 0.19 -0.75 -0.54 0.00 0.00 174.62 173.32 3h6i s LYS 134 N 1.04 0.20 0.23 3.99 2.20 -1.26 -5.11 119.74 121.02 3h6i s LYS 134 Ca 0.02 0.32 -0.30 0.00 -0.36 0.00 0.00 55.97 55.65 3h6i s LYS 134 Cb -0.20 0.03 -0.09 0.00 -1.51 0.00 0.00 37.83 36.06 3h6i s LYS 134 CO -0.06 -0.07 1.20 1.03 -0.36 0.00 0.00 175.35 177.09 3h6i s ARG 135 N 0.45 4.50 0.39 4.03 0.52 -1.26 -4.37 118.95 123.21 3h6i s ARG 135 Ca -0.03 1.92 -0.26 0.00 -0.52 0.00 0.00 55.73 56.83 3h6i s ARG 135 Cb -0.04 -3.20 -0.11 0.00 0.52 0.00 0.00 34.95 32.12 3h6i s ARG 135 CO -0.02 -0.04 1.26 -2.30 0.02 0.00 0.00 175.30 174.22 3h6i n PRO 136 N 1.96 1.96 -4.58 3.54 -0.02 -1.26 -4.85 135.00 131.75 3h6i n PRO 136 Ca 0.03 0.69 -0.34 0.00 -2.02 0.00 0.00 63.50 61.86 3h6i n PRO 136 Cb 0.44 -2.34 -0.11 0.00 -0.02 0.00 0.00 33.50 31.47 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 -2.07 2.96 -0.05 -0.52 2.02 -0.16 -4.98 118.70 115.89 3h6i s GLU 137 Ca 0.59 -0.54 0.01 0.00 0.02 0.00 0.00 54.97 55.05 3h6i s GLU 137 Cb -0.53 -2.66 0.02 0.00 0.10 0.00 0.00 34.13 31.05 3h6i s GLU 137 CO 0.59 0.57 -0.07 -0.51 0.02 0.00 0.00 175.26 175.87 3h6i s LEU 138 N -0.55 1.39 0.01 1.80 1.02 -1.23 -1.28 118.68 119.84 3h6i s LEU 138 Ca 0.08 -0.19 0.07 0.00 0.02 0.00 0.00 54.13 54.12 3h6i s LEU 138 Cb -0.12 -0.58 -0.02 0.00 0.02 0.00 0.00 46.19 45.49 3h6i s LEU 138 CO 0.02 -0.04 -0.22 -0.31 0.02 0.00 0.00 176.35 175.82 3h6i s TYR 139 N 0.91 1.98 -0.18 0.29 1.51 0.11 -1.67 117.35 120.30 3h6i s TYR 139 Ca -0.11 -0.38 -0.01 0.00 -1.01 0.00 0.00 57.07 55.56 3h6i s TYR 139 Cb -0.15 -1.24 -0.00 0.00 -0.11 0.00 0.00 41.96 40.46 3h6i s TYR 139 CO 0.01 0.02 -0.11 0.50 -1.11 0.00 0.00 175.55 174.86 3h6i s ARG 140 N -0.80 3.27 -0.14 -0.62 3.52 -0.36 -1.75 118.95 122.07 3h6i s ARG 140 Ca 0.09 -0.70 0.01 0.00 -0.13 0.00 0.00 55.73 55.00 3h6i s ARG 140 Cb -0.09 -2.78 -0.00 0.00 -1.56 0.00 0.00 34.95 30.52 3h6i s ARG 140 CO 0.00 -0.09 -0.18 0.42 -0.81 0.00 0.00 175.30 174.65 3h6i s ILE 141 N 1.12 2.48 0.35 4.11 1.09 0.53 -1.13 121.20 129.75 3h6i s ILE 141 Ca 0.01 -0.84 0.07 0.00 -1.10 0.00 0.00 60.65 58.79 3h6i s ILE 141 Cb -0.14 -2.02 -0.02 0.00 -1.06 0.00 0.00 42.46 39.22 3h6i s ILE 141 CO -0.03 0.53 0.39 0.42 -0.10 0.00 0.00 174.94 176.15 3h6i s THR 142 N 0.70 3.68 0.60 2.92 -4.23 -0.52 -0.94 115.64 117.85 3h6i s THR 142 Ca -0.08 -1.18 0.28 0.00 -1.18 0.00 0.00 61.69 59.53 3h6i s THR 142 Cb -0.16 -3.26 0.40 0.00 1.34 0.00 0.00 72.50 70.82 3h6i s THR 142 CO 0.01 -0.14 1.50 0.10 -0.54 0.00 0.00 174.62 175.55 3h6i h TYR 143 N 1.04 0.00 -0.02 3.99 -0.00 -1.83 0.11 116.97 120.27 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 0.48 0.00 -0.40 -0.40 -0.00 0.00 0.00 178.16 177.84 3h6i n ASP 144 N -3.40 2.10 0.00 0.10 5.75 -1.26 -4.56 116.55 115.28 3h6i n ASP 144 Ca 0.19 -1.54 0.00 0.00 -0.01 0.00 0.00 54.79 53.42 3h6i n ASP 144 Cb 1.27 0.39 0.00 0.00 -1.03 0.00 0.00 41.12 41.75 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 1.40 0.98 3.74 6.12 0.00 0.39 -4.08 105.19 113.74 3h6i n GLY 145 Ca 0.10 -0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.71 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 7.50 -0.09 1.61 0.01 -1.25 -4.75 113.70 114.74 3h6i s SER 146 Ca 0.00 1.88 0.04 0.00 1.31 0.00 0.00 55.95 59.18 3h6i s SER 146 Cb 0.00 -2.60 -0.01 0.00 0.21 0.00 0.00 66.02 63.63 3h6i s SER 146 CO 0.00 -0.03 -0.23 -0.51 0.41 0.00 0.00 173.24 172.88 3h6i s ILE 147 N -0.34 2.22 -0.06 1.44 2.07 -1.26 -1.44 121.20 123.82 3h6i s ILE 147 Ca 0.46 -0.98 0.03 0.00 -1.41 0.00 0.00 60.65 58.75 3h6i s ILE 147 Cb -0.25 -1.84 0.00 0.00 0.13 0.00 0.00 42.46 40.50 3h6i s ILE 147 CO 0.31 0.56 -0.16 0.00 -1.91 0.00 0.00 174.94 173.74 3h6i s ALA 148 N 0.13 1.53 -0.49 1.50 0.00 -0.28 -4.99 121.76 119.17 3h6i s ALA 148 Ca -0.12 -0.63 -0.19 0.00 0.00 0.00 0.00 51.96 51.02 3h6i s ALA 148 Cb -0.16 -0.58 0.05 0.00 0.00 0.00 0.00 23.12 22.42 3h6i s ALA 148 CO 0.06 0.21 0.62 0.34 0.00 0.00 0.00 175.76 177.00 3h6i s ASP 149 N 0.34 6.24 -0.20 0.00 -1.08 -1.26 -1.22 116.67 119.50 3h6i s ASP 149 Ca -0.11 -0.76 -0.09 0.00 -0.52 0.00 0.00 52.55 51.06 3h6i s ASP 149 Cb -0.14 -2.29 -0.05 0.00 -1.46 0.00 0.00 42.92 38.97 3h6i s ASP 149 CO 0.04 -0.85 0.12 -1.61 0.52 0.00 0.00 175.17 173.38 3h6i s GLU 150 N 2.67 4.14 0.30 4.34 0.41 -0.67 -5.03 118.70 124.86 3h6i s GLU 150 Ca 0.17 -0.24 0.22 0.00 -0.41 0.00 0.00 54.97 54.70 3h6i s GLU 150 Cb -0.18 -3.38 0.14 0.00 -1.78 0.00 0.00 34.13 28.93 3h6i s GLU 150 CO 0.14 0.30 1.30 -1.00 -0.49 0.00 0.00 175.26 175.51 3h6i h PRO 151 N 6.65 0.00 0.00 0.39 0.13 -1.94 -3.27 132.00 133.96 3h6i h PRO 151 Ca -0.40 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 64.66 3h6i h PRO 151 Cb 1.15 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.27 3h6i h PRO 151 CO 0.75 0.07 -1.24 0.72 -0.23 0.00 0.00 178.00 178.07 3h6i n HIS 152 N -2.92 0.00 -3.72 1.56 8.25 -1.26 -4.88 115.22 112.25 3h6i n HIS 152 Ca 0.01 0.00 -0.10 0.00 -0.26 0.00 0.00 57.72 57.37 3h6i n HIS 152 Cb 0.58 -0.15 -0.05 0.00 1.12 0.00 0.00 29.99 31.49 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 -2.08 -0.09 -0.02 4.41 -0.12 -1.26 -1.85 117.98 116.98 3h6i s PHE 153 Ca -0.06 -0.25 0.01 0.00 -0.05 0.00 0.00 56.93 56.59 3h6i s PHE 153 Cb 0.02 0.25 0.01 0.00 -0.63 0.00 0.00 43.02 42.68 3h6i s PHE 153 CO 0.08 -0.77 -0.04 0.08 -0.05 0.00 0.00 175.22 174.52 3h6i s VAL 154 N -3.85 0.39 -0.11 -2.49 1.01 0.27 -4.87 120.40 110.75 3h6i s VAL 154 Ca 0.07 -0.12 0.02 0.00 0.00 0.00 0.00 61.98 61.94 3h6i s VAL 154 Cb 0.01 -0.38 0.01 0.00 0.00 0.00 0.00 36.38 36.02 3h6i s VAL 154 CO -0.07 0.15 -0.16 -0.69 0.00 0.00 0.00 175.10 174.32 3h6i s VAL 155 N 0.41 1.56 0.06 2.92 1.01 -1.26 -1.13 120.40 123.97 3h6i s VAL 155 Ca -0.05 -0.69 0.04 0.00 0.00 0.00 0.00 61.98 61.29 3h6i s VAL 155 Cb -0.08 -1.41 -0.03 0.00 0.00 0.00 0.00 36.38 34.86 3h6i s VAL 155 CO -0.00 0.45 -0.12 -0.04 0.00 0.00 0.00 175.10 175.39 3h6i s MET 156 N 0.90 0.75 0.15 2.72 -1.94 0.76 -5.00 119.30 117.63 3h6i s MET 156 Ca -0.08 -0.86 0.00 0.00 -1.71 0.00 0.00 55.69 53.03 3h6i s MET 156 Cb -0.15 -0.69 0.00 0.00 2.01 0.00 0.00 34.83 35.99 3h6i s MET 156 CO -0.00 0.15 0.00 0.41 -0.01 0.00 0.00 175.02 175.57 3h6i n GLY 157 N 1.44 -3.01 7.00 -0.03 0.00 -1.26 -0.21 105.19 109.11 3h6i n GLY 157 Ca -0.21 -1.24 0.00 0.00 0.00 0.00 0.00 46.02 44.57 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 -2.04 1.68 3.32 -0.02 0.00 -0.70 -4.18 105.19 103.24 3h6i n GLY 158 Ca -0.01 -0.64 -0.46 0.00 0.00 0.00 0.00 46.02 44.91 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 5.23 0.13 2.61 -4.23 -1.26 -4.30 115.64 113.82 3h6i s THR 159 Ca 0.00 -1.59 -0.11 0.00 -1.18 0.00 0.00 61.69 58.81 3h6i s THR 159 Cb 0.00 -4.38 -0.09 0.00 1.34 0.00 0.00 72.50 69.37 3h6i s THR 159 CO 0.00 -0.92 1.40 0.71 -0.54 0.00 0.00 174.62 175.27 3h6i h THR 160 N 5.74 1.27 -0.53 3.99 1.35 -1.95 -3.39 112.91 119.40 3h6i h THR 160 Ca -0.24 -1.76 0.11 0.00 -0.55 0.00 0.00 66.41 63.97 3h6i h THR 160 Cb 1.09 1.66 -0.10 0.00 -1.73 0.00 0.00 68.15 69.08 3h6i h THR 160 CO 1.01 0.57 -0.08 -0.33 -0.25 0.00 0.00 175.52 176.44 3h6i h GLU 161 N 0.65 0.04 0.00 4.72 3.07 -1.96 0.20 114.58 121.31 3h6i h GLU 161 Ca 0.01 -0.00 -0.07 0.00 -0.50 0.00 0.00 59.36 58.79 3h6i h GLU 161 Cb 1.18 -0.01 -0.01 0.00 -0.84 0.00 0.00 28.75 29.07 3h6i h GLU 161 CO 0.13 0.03 -0.34 -1.00 -1.40 0.00 0.00 179.01 176.42 3h6i h PRO 162 N 0.04 0.00 0.05 2.33 0.13 -1.90 -1.18 132.00 131.47 3h6i h PRO 162 Ca 0.26 0.00 -0.27 0.00 -0.87 0.00 0.00 66.00 65.12 3h6i h PRO 162 Cb 0.40 0.00 0.02 0.00 0.13 0.00 0.00 31.00 31.55 3h6i h PRO 162 CO -0.51 0.34 -1.11 0.82 -0.23 0.00 0.00 178.00 177.31 3h6i h ILE 163 N 0.00 1.32 -0.37 -3.56 2.04 -1.63 -2.31 117.51 112.99 3h6i h ILE 163 Ca -0.00 -2.41 -0.11 0.00 1.00 0.00 0.00 64.86 63.34 3h6i h ILE 163 Cb 0.70 2.53 -0.01 0.00 -0.74 0.00 0.00 36.82 39.31 3h6i h ILE 163 CO 0.04 0.73 -0.18 0.00 0.00 0.00 0.00 178.15 178.75 3h6i h ALA 164 N 0.44 0.52 -0.24 1.87 0.00 -0.85 -2.54 119.26 118.47 3h6i h ALA 164 Ca -0.14 -0.36 -0.14 0.00 0.00 0.00 0.00 54.91 54.27 3h6i h ALA 164 Cb 1.77 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 19.42 3h6i h ALA 164 CO 0.21 0.46 -0.42 -0.91 0.00 0.00 0.00 179.25 178.60 3h6i h ASN 165 N 0.58 0.62 0.36 0.00 -0.26 -1.28 -1.63 115.58 113.97 3h6i h ASN 165 Ca 0.08 -0.28 -0.07 0.00 -0.56 0.00 0.00 56.30 55.48 3h6i h ASN 165 Cb 0.73 -0.17 -0.01 0.00 -1.06 0.00 0.00 38.32 37.81 3h6i h ASN 165 CO 0.05 0.96 -0.31 0.00 -1.06 0.00 0.00 177.43 177.07 3h6i h ALA 166 N 1.07 1.41 0.23 -0.83 0.00 -1.35 -2.93 119.26 116.86 3h6i h ALA 166 Ca 0.04 -0.28 -0.33 0.00 0.00 0.00 0.00 54.91 54.33 3h6i h ALA 166 Cb 0.93 -0.05 0.03 0.00 0.00 0.00 0.00 17.79 18.69 3h6i h ALA 166 CO 0.08 0.39 -1.52 -0.07 0.00 0.00 0.00 179.25 178.13 3h6i h LEU 167 N 0.00 0.75 -1.93 0.00 3.38 -1.24 -2.90 115.31 113.36 3h6i h LEU 167 Ca -0.00 -0.93 0.25 0.00 0.09 0.00 0.00 57.88 57.29 3h6i h LEU 167 Cb 0.58 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 41.04 3h6i h LEU 167 CO 0.04 1.72 0.62 0.11 0.09 0.00 0.00 178.44 181.02 3h6i h LYS 168 N 0.09 0.05 0.00 1.13 1.57 -1.11 0.25 116.57 118.55 3h6i h LYS 168 Ca -0.28 -0.00 -0.19 0.00 -1.87 0.00 0.00 60.65 58.31 3h6i h LYS 168 Cb 2.11 -0.01 -0.03 0.00 0.08 0.00 0.00 32.23 34.38 3h6i h LYS 168 CO 0.23 0.03 -1.30 0.39 -0.57 0.00 0.00 179.45 178.24 3h6i n GLU 169 N -4.31 0.54 0.00 3.15 1.02 -1.20 -4.50 120.64 115.33 3h6i n GLU 169 Ca 0.18 0.45 0.11 0.00 -0.02 0.00 0.00 57.16 57.88 3h6i n GLU 169 Cb 0.91 -1.64 0.64 0.00 -0.02 0.00 0.00 31.44 31.33 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 -4.45 0.00 -4.80 1.62 3.41 -1.04 -4.86 113.62 103.50 3h6i n SER 170 Ca -0.28 -0.64 -0.34 0.00 -0.26 0.00 0.00 58.87 57.35 3h6i n SER 170 Cb 0.59 -0.02 -0.05 0.00 -0.26 0.00 0.00 64.21 64.47 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 -2.04 3.20 -0.21 7.33 5.04 0.05 -4.98 117.35 125.74 3h6i s TYR 171 Ca 0.32 1.61 -0.07 0.00 -2.44 0.00 0.00 57.07 56.49 3h6i s TYR 171 Cb 0.15 -2.99 0.09 0.00 0.35 0.00 0.00 41.96 39.56 3h6i s TYR 171 CO 0.26 -0.48 0.44 0.00 -1.34 0.00 0.00 175.55 174.43 3h6i s ALA 172 N -1.97 -1.24 0.62 3.97 0.00 -1.26 -5.05 121.76 116.82 3h6i s ALA 172 Ca 0.63 1.59 -0.18 0.00 0.00 0.00 0.00 51.96 53.99 3h6i s ALA 172 Cb -0.15 -1.36 -0.03 0.00 0.00 0.00 0.00 23.12 21.59 3h6i s ALA 172 CO 0.19 -0.76 1.25 -1.21 0.00 0.00 0.00 175.76 175.23 3h6i s GLU 173 N 2.60 2.79 -1.86 0.00 2.02 -1.26 -3.19 118.70 119.80 3h6i s GLU 173 Ca -0.02 1.94 0.00 0.00 0.02 0.00 0.00 54.97 56.90 3h6i s GLU 173 Cb -0.12 -1.90 0.00 0.00 0.10 0.00 0.00 34.13 32.22 3h6i s GLU 173 CO -0.13 -1.38 0.00 0.09 0.02 0.00 0.00 175.26 173.86 3h6i n ASN 174 N -1.72 -5.82 -4.75 -0.19 3.02 -1.26 -4.98 115.26 99.56 3h6i n ASN 174 Ca 0.15 0.09 -0.31 0.00 -0.03 0.00 0.00 54.58 54.47 3h6i n ASN 174 Cb 0.49 -4.89 0.11 0.00 -0.61 0.00 0.00 39.78 34.88 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 -2.99 2.06 0.79 5.41 0.00 -1.19 -4.45 121.76 121.40 3h6i s ALA 175 Ca 0.00 0.34 -0.11 0.00 0.00 0.00 0.00 51.96 52.19 3h6i s ALA 175 Cb 0.00 -3.31 0.08 0.00 0.00 0.00 0.00 23.12 19.88 3h6i s ALA 175 CO 0.00 -2.01 1.15 -1.54 0.00 0.00 0.00 175.76 173.35 3h6i s SER 176 N -3.22 4.53 0.09 0.00 1.04 -1.26 -1.83 113.70 113.04 3h6i s SER 176 Ca 0.62 0.69 -0.26 0.00 0.48 0.00 0.00 55.95 57.48 3h6i s SER 176 Cb -0.18 -1.20 -0.15 0.00 0.10 0.00 0.00 66.02 64.59 3h6i s SER 176 CO 0.56 -1.86 1.69 0.25 0.98 0.00 0.00 173.24 174.87 3h6i h LEU 177 N -0.97 -0.31 -0.81 2.42 5.85 -1.99 0.81 115.31 120.31 3h6i h LEU 177 Ca -0.46 0.02 0.03 0.00 0.84 0.00 0.00 57.88 58.31 3h6i h LEU 177 Cb 1.32 0.09 -0.05 0.00 0.37 0.00 0.00 40.66 42.40 3h6i h LEU 177 CO 0.64 -0.20 0.52 0.74 -0.34 0.00 0.00 178.44 179.80 3h6i h THR 178 N -0.31 1.14 -0.22 1.05 2.02 -1.94 -0.99 112.91 113.65 3h6i h THR 178 Ca -0.02 -0.35 -0.08 0.00 0.77 0.00 0.00 66.41 66.73 3h6i h THR 178 Cb 0.26 0.03 -0.00 0.00 -1.74 0.00 0.00 68.15 66.70 3h6i h THR 178 CO 0.01 0.19 -0.17 0.44 0.37 0.00 0.00 175.52 176.36 3h6i h ASP 179 N 1.02 0.53 -0.59 4.18 3.32 -1.88 -2.89 116.42 120.12 3h6i h ASP 179 Ca 0.32 -0.45 -0.05 0.00 0.02 0.00 0.00 57.03 56.87 3h6i h ASP 179 Cb -0.01 -0.15 -0.03 0.00 0.22 0.00 0.00 39.33 39.36 3h6i h ASP 179 CO -0.10 0.87 0.21 0.00 -1.72 0.00 0.00 179.24 178.49 3h6i h ALA 180 N 0.68 1.18 -0.10 3.45 0.00 -0.46 -2.08 119.26 121.93 3h6i h ALA 180 Ca 0.04 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.75 3h6i h ALA 180 Cb 0.70 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 18.23 3h6i h ALA 180 CO 0.04 0.57 0.03 1.25 0.00 0.00 0.00 179.25 181.15 3h6i h LEU 181 N 0.92 0.14 -0.65 0.00 5.85 -1.19 -1.90 115.31 118.48 3h6i h LEU 181 Ca 0.21 -0.19 -0.02 0.00 0.84 0.00 0.00 57.88 58.72 3h6i h LEU 181 Cb 0.25 -0.04 -0.03 0.00 0.37 0.00 0.00 40.66 41.21 3h6i h LEU 181 CO -0.01 0.29 0.32 0.03 -0.34 0.00 0.00 178.44 178.73 3h6i h ARG 182 N -0.02 0.93 -0.32 1.25 3.08 -1.33 0.23 114.38 118.20 3h6i h ARG 182 Ca 0.03 -0.13 -0.03 0.00 0.07 0.00 0.00 59.98 59.92 3h6i h ARG 182 Cb 0.20 -0.17 -0.02 0.00 0.08 0.00 0.00 29.97 30.06 3h6i h ARG 182 CO -0.00 0.73 0.07 0.82 -1.07 0.00 0.00 179.97 180.52 3h6i h ILE 183 N 0.89 1.16 0.08 2.04 2.04 -1.34 0.43 117.51 122.81 3h6i h ILE 183 Ca 0.22 -0.56 -0.16 0.00 1.00 0.00 0.00 64.86 65.37 3h6i h ILE 183 Cb 0.11 0.84 0.02 0.00 -0.74 0.00 0.00 36.82 37.04 3h6i h ILE 183 CO -0.03 0.20 -0.67 0.00 0.00 0.00 0.00 178.15 177.65 3h6i h ALA 184 N 1.62 -0.02 -0.40 1.87 0.00 -0.66 -2.88 119.26 118.80 3h6i h ALA 184 Ca 0.11 -0.63 -0.06 0.00 0.00 0.00 0.00 54.91 54.33 3h6i h ALA 184 Cb 0.19 0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 3h6i h ALA 184 CO -0.00 0.33 -0.02 0.28 0.00 0.00 0.00 179.25 179.84 3h6i h VAL 185 N -0.31 1.23 -0.26 0.00 2.07 -0.32 -1.66 116.25 116.99 3h6i h VAL 185 Ca -0.11 -0.93 -0.01 0.00 0.82 0.00 0.00 66.70 66.47 3h6i h VAL 185 Cb 1.46 0.95 -0.01 0.00 -1.52 0.00 0.00 31.29 32.17 3h6i h VAL 185 CO 0.13 0.32 0.13 0.00 0.02 0.00 0.00 177.57 178.17 3h6i h ALA 186 N 1.37 0.34 -0.58 1.67 0.00 -1.00 -2.64 119.26 118.42 3h6i h ALA 186 Ca 0.12 -0.08 -0.02 0.00 0.00 0.00 0.00 54.91 54.92 3h6i h ALA 186 Cb 0.42 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.08 3h6i h ALA 186 CO 0.02 -0.11 0.27 0.00 0.00 0.00 0.00 179.25 179.43 3h6i h ALA 187 N 0.99 1.39 -0.60 0.00 0.00 -1.20 -2.47 119.26 117.37 3h6i h ALA 187 Ca 0.09 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 3h6i h ALA 187 Cb 0.10 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.63 3h6i h ALA 187 CO -0.01 0.48 0.33 -0.07 0.00 0.00 0.00 179.25 179.98 3h6i h LEU 188 N 0.82 0.74 -0.82 0.00 -0.00 -0.97 -2.39 115.31 112.70 3h6i h LEU 188 Ca 0.20 -0.09 -0.05 0.00 -0.00 0.00 0.00 57.88 57.95 3h6i h LEU 188 Cb 0.10 -0.19 -0.03 0.00 -0.00 0.00 0.00 40.66 40.54 3h6i h LEU 188 CO -0.03 0.62 0.30 0.03 -0.00 0.00 0.00 178.44 179.36 3h6i h ARG 189 N 0.81 1.18 -0.72 1.13 3.08 -1.19 -2.51 114.38 116.16 3h6i h ARG 189 Ca 0.21 -0.22 -0.01 0.00 0.07 0.00 0.00 59.98 60.04 3h6i h ARG 189 Cb 0.03 -0.19 -0.04 0.00 0.08 0.00 0.00 29.97 29.86 3h6i h ARG 189 CO -0.04 0.96 0.42 0.00 -1.07 0.00 0.00 179.97 180.25 3h6i h ALA 190 N 1.18 1.40 -0.06 0.04 0.00 -1.15 -3.52 119.26 117.15 3h6i h ALA 190 Ca 0.26 -0.09 0.04 0.00 0.00 0.00 0.00 54.91 55.12 3h6i h ALA 190 Cb 0.23 -0.29 -0.06 0.00 0.00 0.00 0.00 17.79 17.67 3h6i h ALA 190 CO -0.02 0.52 -0.34 0.78 0.00 0.00 0.00 179.25 180.19 3h6i h GLY 191 N 1.02 -0.54 0.00 0.00 0.00 -0.97 -3.43 103.07 99.15 3h6i h GLY 191 Ca 0.26 0.42 0.00 0.00 0.00 0.00 0.00 47.33 48.00 3h6i h GLY 191 CO -0.05 -0.23 0.00 0.61 0.00 0.00 0.00 176.54 176.87 3h6i n GLY 204 N -1.42 -0.92 0.23 4.60 0.00 -1.26 -4.91 105.19 101.52 3h6i n GLY 204 Ca -0.04 -1.35 -0.08 0.00 0.00 0.00 0.00 46.02 44.55 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 0.00 1.21 -0.17 1.61 2.07 -1.98 -2.57 116.25 116.42 3h6i h VAL 205 Ca 0.00 -0.63 0.00 0.00 0.82 0.00 0.00 66.70 66.89 3h6i h VAL 205 Cb 0.00 0.69 0.00 0.00 -1.52 0.00 0.00 31.29 30.46 3h6i h VAL 205 CO 0.00 0.24 0.00 0.00 0.02 0.00 0.00 177.57 177.83 3h6i n ALA 206 N -2.33 2.52 -1.77 1.67 0.00 -1.26 -3.40 120.51 115.94 3h6i n ALA 206 Ca 0.02 -0.32 0.04 0.00 0.00 0.00 0.00 53.44 53.18 3h6i n ALA 206 Cb 0.15 -0.99 0.07 0.00 0.00 0.00 0.00 19.45 18.68 3h6i n ALA 206 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3h6i n SER 207 N 0.02 1.08 -3.87 0.00 3.41 -0.99 -4.68 113.62 108.60 3h6i n SER 207 Ca 0.06 -2.56 -0.10 0.00 -0.26 0.00 0.00 58.87 56.01 3h6i n SER 207 Cb 0.18 -0.33 -0.08 0.00 -0.26 0.00 0.00 64.21 63.72 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 -1.25 1.48 -0.07 1.04 1.43 -1.09 -3.23 118.68 116.99 3h6i s LEU 208 Ca 0.20 -0.44 -0.00 0.00 -1.03 0.00 0.00 54.13 52.86 3h6i s LEU 208 Cb 0.20 0.88 0.02 0.00 0.03 0.00 0.00 46.19 47.32 3h6i s LEU 208 CO -0.03 -0.57 -0.04 -0.70 0.23 0.00 0.00 176.35 175.24 3h6i s GLU 209 N -2.73 1.01 -0.00 1.70 2.12 -0.77 -4.76 118.70 115.27 3h6i s GLU 209 Ca -0.04 -0.10 0.03 0.00 0.36 0.00 0.00 54.97 55.22 3h6i s GLU 209 Cb -0.00 -1.12 -0.01 0.00 0.26 0.00 0.00 34.13 33.25 3h6i s GLU 209 CO -0.05 -0.19 -0.09 0.08 -0.54 0.00 0.00 175.26 174.47 3h6i s VAL 210 N 1.46 0.72 0.04 3.70 1.01 -1.26 -1.43 120.40 124.64 3h6i s VAL 210 Ca -0.02 -0.43 -0.26 0.00 0.00 0.00 0.00 61.98 61.27 3h6i s VAL 210 Cb -0.13 -0.61 0.06 0.00 0.00 0.00 0.00 36.38 35.70 3h6i s VAL 210 CO -0.03 0.17 0.61 0.00 0.00 0.00 0.00 175.10 175.85 3h6i s ALA 211 N -0.27 -1.59 0.14 5.51 0.00 -0.64 -1.67 121.76 123.23 3h6i s ALA 211 Ca 0.03 0.86 0.08 0.00 0.00 0.00 0.00 51.96 52.93 3h6i s ALA 211 Cb -0.04 0.38 -0.04 0.00 0.00 0.00 0.00 23.12 23.42 3h6i s ALA 211 CO -0.00 -0.53 -0.18 0.14 0.00 0.00 0.00 175.76 175.19 3h6i s VAL 212 N -2.32 1.66 -0.70 0.00 -7.23 -0.30 0.03 120.40 111.53 3h6i s VAL 212 Ca -0.06 -1.75 -0.10 0.00 -1.81 0.00 0.00 61.98 58.26 3h6i s VAL 212 Cb -0.01 -1.67 0.18 0.00 0.56 0.00 0.00 36.38 35.45 3h6i s VAL 212 CO -0.00 -0.27 0.60 -0.76 -0.31 0.00 0.00 175.10 174.36 3h6i s LEU 213 N -2.39 6.10 -0.56 1.32 1.43 -0.22 -1.13 118.68 123.23 3h6i s LEU 213 Ca 0.11 -2.62 -0.28 0.00 -1.03 0.00 0.00 54.13 50.31 3h6i s LEU 213 Cb -0.07 -2.07 0.03 0.00 0.03 0.00 0.00 46.19 44.11 3h6i s LEU 213 CO 0.05 -0.53 1.20 -0.62 0.23 0.00 0.00 176.35 176.68 3h6i s ASP 214 N 1.79 6.45 0.00 2.29 2.15 0.52 -1.80 116.67 128.07 3h6i s ASP 214 Ca 0.15 0.18 0.06 0.00 0.43 0.00 0.00 52.55 53.37 3h6i s ASP 214 Cb -0.16 -2.55 0.27 0.00 -0.30 0.00 0.00 42.92 40.17 3h6i s ASP 214 CO -0.05 -1.47 1.20 0.00 -0.17 0.00 0.00 175.17 174.68 3h6i n ALA 215 N 8.45 1.29 1.32 3.66 0.00 -0.23 -1.65 120.51 133.35 3h6i n ALA 215 Ca 0.09 -0.02 0.13 0.00 0.00 0.00 0.00 53.44 53.64 3h6i n ALA 215 Cb 0.49 -1.10 0.39 0.00 0.00 0.00 0.00 19.45 19.23 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 -1.50 1.54 -4.76 0.00 5.15 -1.26 -4.45 115.26 109.99 3h6i n ASN 216 Ca 0.02 -1.35 -0.40 0.00 -0.60 0.00 0.00 54.58 52.25 3h6i n ASN 216 Cb 0.07 0.08 -0.06 0.00 -0.53 0.00 0.00 39.78 39.34 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 -2.20 4.80 0.15 1.20 1.81 -0.66 -4.99 118.95 119.06 3h6i s ARG 217 Ca 0.31 1.42 -0.16 0.00 -1.72 0.00 0.00 55.73 55.58 3h6i s ARG 217 Cb 0.20 -3.28 0.01 0.00 -0.45 0.00 0.00 34.95 31.44 3h6i s ARG 217 CO 0.41 0.53 1.80 -1.35 -0.68 0.00 0.00 175.30 176.01 3h6i h PRO 218 N 4.19 0.55 0.00 3.54 0.11 -1.89 -3.42 132.00 135.08 3h6i h PRO 218 Ca -0.45 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.61 3h6i h PRO 218 Cb 1.20 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 32.19 3h6i h PRO 218 CO 0.68 0.39 -0.14 -2.13 -0.21 0.00 0.00 178.00 176.58 3h6i n ARG 219 N -4.78 0.00 -3.11 1.05 0.63 -1.26 -4.43 116.66 104.76 3h6i n ARG 219 Ca 0.01 0.00 -0.43 0.00 -0.92 0.00 0.00 57.85 56.50 3h6i n ARG 219 Cb 0.04 -0.27 -0.06 0.00 0.45 0.00 0.00 32.46 32.61 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 0.24 -0.14 0.52 -1.26 -4.35 118.95 115.14 3h6i s ARG 220 Ca 0.00 -0.71 0.09 0.00 -0.52 0.00 0.00 55.73 54.59 3h6i s ARG 220 Cb 0.00 -4.06 0.24 0.00 0.52 0.00 0.00 34.95 31.65 3h6i s ARG 220 CO 0.00 -1.22 1.54 0.00 0.02 0.00 0.00 175.30 175.65 3h6i h ALA 221 N 9.02 0.85 -2.47 2.13 0.00 -1.34 -3.46 119.26 123.99 3h6i h ALA 221 Ca -0.27 -0.62 -0.53 0.00 0.00 0.00 0.00 54.91 53.48 3h6i h ALA 221 Cb 1.09 -0.11 0.02 0.00 0.00 0.00 0.00 17.79 18.80 3h6i h ALA 221 CO 0.97 0.85 0.90 0.12 0.00 0.00 0.00 179.25 182.09 3h6i s PHE 222 N -3.46 2.75 -0.05 0.00 5.36 -1.26 -0.35 117.98 120.97 3h6i s PHE 222 Ca -0.01 0.58 -0.02 0.00 -0.96 0.00 0.00 56.93 56.52 3h6i s PHE 222 Cb 0.12 -3.84 0.04 0.00 -0.34 0.00 0.00 43.02 38.99 3h6i s PHE 222 CO 0.78 -3.24 0.12 0.50 -1.46 0.00 0.00 175.22 171.92 3h6i s ARG 223 N 2.10 0.06 -0.05 10.12 3.52 -0.28 -4.95 118.95 129.47 3h6i s ARG 223 Ca 0.69 0.32 -0.17 0.00 -0.13 0.00 0.00 55.73 56.44 3h6i s ARG 223 Cb -0.38 -0.18 -0.05 0.00 -1.56 0.00 0.00 34.95 32.78 3h6i s ARG 223 CO 0.30 -0.16 0.47 1.03 -0.81 0.00 0.00 175.30 176.13 3h6i s ARG 224 N 1.09 4.18 -0.45 5.12 0.52 -1.26 -1.15 118.95 127.00 3h6i s ARG 224 Ca -0.09 0.48 -0.07 0.00 -0.52 0.00 0.00 55.73 55.54 3h6i s ARG 224 Cb -0.11 -3.34 0.11 0.00 0.52 0.00 0.00 34.95 32.14 3h6i s ARG 224 CO -0.05 0.41 0.29 0.42 0.02 0.00 0.00 175.30 176.39 3h6i s ILE 225 N -0.20 3.88 0.43 1.52 1.01 -0.67 -4.99 121.20 122.19 3h6i s ILE 225 Ca 0.26 -1.87 0.04 0.00 0.00 0.00 0.00 60.65 59.08 3h6i s ILE 225 Cb -0.16 -3.59 -0.05 0.00 0.01 0.00 0.00 42.46 38.68 3h6i s ILE 225 CO 0.13 -0.74 0.03 0.42 0.00 0.00 0.00 174.94 174.78 3h6i s THR 226 N 1.29 1.38 0.00 2.92 -4.23 -1.26 -4.31 115.64 111.43 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 -0.25 -2.59 0.00 0.00 1.34 0.00 0.00 72.50 71.00 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 -1.01 2.79 0.31 3.99 0.00 -1.26 -2.83 105.19 107.17 3h6i n GLY 227 Ca -0.10 -0.06 0.05 0.00 0.00 0.00 0.00 46.02 45.92 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 0.46 0.38 0.33 1.61 4.64 -2.00 -2.32 113.55 116.64 3h6i h SER 228 Ca 0.00 -0.01 -0.10 0.00 -0.47 0.00 0.00 61.79 61.21 3h6i h SER 228 Cb 0.00 -0.09 -0.01 0.00 -0.31 0.00 0.00 62.40 61.98 3h6i h SER 228 CO 0.00 0.27 -0.44 0.00 -0.87 0.00 0.00 176.83 175.79 3h6i h ALA 229 N 1.78 1.15 0.07 5.18 0.00 -1.94 -2.88 119.26 122.62 3h6i h ALA 229 Ca 0.14 -0.42 -0.24 0.00 0.00 0.00 0.00 54.91 54.39 3h6i h ALA 229 Cb 0.01 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.71 3h6i h ALA 229 CO -0.03 0.59 -1.09 1.25 0.00 0.00 0.00 179.25 179.96 3h6i h LEU 230 N 0.12 0.34 -0.26 0.00 5.85 -1.27 -3.00 115.31 117.09 3h6i h LEU 230 Ca 0.01 -0.33 -0.02 0.00 0.84 0.00 0.00 57.88 58.38 3h6i h LEU 230 Cb 0.83 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 41.74 3h6i h LEU 230 CO 0.06 1.21 0.09 1.56 -0.34 0.00 0.00 178.44 181.02 3h6i h GLN 231 N 0.09 0.40 0.00 1.25 4.20 -1.36 0.36 115.11 120.05 3h6i h GLN 231 Ca -0.09 -0.08 -0.02 0.00 0.06 0.00 0.00 58.65 58.52 3h6i h GLN 231 Cb 1.80 -0.06 -0.00 0.00 0.30 0.00 0.00 27.48 29.51 3h6i h GLN 231 CO 0.17 0.47 -0.09 0.00 -0.67 0.00 0.00 178.83 178.71 3h6i h ALA 232 N 0.92 1.02 0.00 3.87 0.00 -1.62 -2.57 119.26 120.88 3h6i h ALA 232 Ca 0.08 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.92 3h6i h ALA 232 Cb 0.23 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.00 3h6i h ALA 232 CO -0.00 0.11 -1.00 -0.11 0.00 0.00 0.00 179.25 178.24 3h6i n LEU 233 N -3.22 0.62 0.00 0.00 -0.00 -0.99 -5.12 117.00 108.28 3h6i n LEU 233 Ca 0.00 0.05 0.10 0.00 -0.00 0.00 0.00 56.01 56.16 3h6i n LEU 233 Cb 0.35 -0.10 0.57 0.00 -0.00 0.00 0.00 43.42 44.24 3h6i n LEU 233 CO 0.30 0.00 0.76 -0.11 -0.00 0.00 0.00 177.39 178.34