#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3h6i h GLU 10 N 0.00 0.44 0.01 -0.52 4.39 -2.06 -3.05 114.58 113.79 3h6i h GLU 10 Ca 0.00 -0.49 -0.20 0.00 0.34 0.00 0.00 59.36 59.01 3h6i h GLU 10 Cb 0.00 0.14 -0.01 0.00 -0.10 0.00 0.00 28.75 28.78 3h6i h GLU 10 CO 0.00 1.15 -0.91 0.37 -1.16 0.00 0.00 179.01 178.45 3h6i h GLN 11 N 0.24 0.19 -0.23 2.33 4.15 -2.05 -3.05 115.11 116.68 3h6i h GLN 11 Ca -0.09 -0.22 -0.01 0.00 0.77 0.00 0.00 58.65 59.10 3h6i h GLN 11 Cb 1.62 0.07 -0.01 0.00 0.21 0.00 0.00 27.48 29.37 3h6i h GLN 11 CO 0.17 0.97 0.11 0.00 -1.93 0.00 0.00 178.83 178.16 3h6i h ALA 12 N 0.95 0.30 0.00 3.38 0.00 -2.00 -0.45 119.26 121.44 3h6i h ALA 12 Ca -0.05 -0.09 -0.05 0.00 0.00 0.00 0.00 54.91 54.72 3h6i h ALA 12 Cb 1.56 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 19.25 3h6i h ALA 12 CO 0.14 -0.14 -0.23 1.98 0.00 0.00 0.00 179.25 181.00 3h6i h MET 13 N 0.24 0.00 0.21 0.00 4.05 -1.58 -1.52 114.93 116.32 3h6i h MET 13 Ca 0.08 0.00 -0.32 0.00 -0.28 0.00 0.00 59.70 59.17 3h6i h MET 13 Cb 0.12 0.00 0.04 0.00 -0.80 0.00 0.00 31.60 30.96 3h6i h MET 13 CO -0.01 0.23 -1.40 -0.09 0.23 0.00 0.00 176.91 175.87 3h6i h ARG 14 N 0.00 0.57 -0.35 0.39 2.43 -1.35 -2.65 114.38 113.42 3h6i h ARG 14 Ca -0.00 -0.89 -0.13 0.00 -0.81 0.00 0.00 59.98 58.15 3h6i h ARG 14 Cb 0.41 0.32 -0.01 0.00 -0.42 0.00 0.00 29.97 30.27 3h6i h ARG 14 CO 0.03 1.42 -0.31 0.93 -1.51 0.00 0.00 179.97 180.53 3h6i h GLU 15 N 0.19 0.76 -0.52 0.20 5.08 -0.84 -1.84 114.58 117.60 3h6i h GLU 15 Ca -0.23 -0.35 -0.11 0.00 -1.00 0.00 0.00 59.36 57.67 3h6i h GLU 15 Cb 2.08 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 31.31 3h6i h GLU 15 CO 0.26 0.97 -0.10 0.00 -1.00 0.00 0.00 179.01 179.14 3h6i h ARG 16 N 0.64 0.99 -0.74 2.33 3.08 -1.38 -1.38 114.38 117.92 3h6i h ARG 16 Ca 0.07 -0.37 -0.01 0.00 0.07 0.00 0.00 59.98 59.74 3h6i h ARG 16 Cb 0.84 -0.06 -0.04 0.00 0.08 0.00 0.00 29.97 30.80 3h6i h ARG 16 CO 0.07 1.05 0.43 0.77 -1.07 0.00 0.00 179.97 181.22 3h6i h SER 17 N 0.86 0.89 -0.19 7.04 0.02 -1.26 -2.15 113.55 118.75 3h6i h SER 17 Ca 0.13 -0.06 -0.19 0.00 -0.84 0.00 0.00 61.79 60.84 3h6i h SER 17 Cb 0.67 -0.23 0.01 0.00 0.14 0.00 0.00 62.40 62.99 3h6i h SER 17 CO 0.05 0.70 -0.63 -0.33 -1.14 0.00 0.00 176.83 175.47 3h6i h GLU 18 N 1.02 0.77 -0.93 3.45 4.39 -1.04 -0.93 114.58 121.31 3h6i h GLU 18 Ca 0.27 -0.57 0.01 0.00 0.34 0.00 0.00 59.36 59.41 3h6i h GLU 18 Cb -0.02 0.10 -0.05 0.00 -0.10 0.00 0.00 28.75 28.68 3h6i h GLU 18 CO -0.05 1.19 0.62 1.25 -1.16 0.00 0.00 179.01 180.86 3h6i h LEU 19 N 0.50 1.07 -0.00 1.33 6.46 -0.96 -0.94 115.31 122.77 3h6i h LEU 19 Ca -0.02 -0.03 -0.00 0.00 -0.12 0.00 0.00 57.88 57.71 3h6i h LEU 19 Cb 1.25 -0.26 0.00 0.00 -0.73 0.00 0.00 40.66 40.92 3h6i h LEU 19 CO 0.13 0.77 -0.01 0.00 -0.62 0.00 0.00 178.44 178.72 3h6i h ALA 20 N 1.35 0.00 -0.74 1.25 0.00 -1.36 -2.86 119.26 116.90 3h6i h ALA 20 Ca 0.34 -0.32 0.06 0.00 0.00 0.00 0.00 54.91 54.99 3h6i h ALA 20 Cb -0.14 -0.00 -0.05 0.00 0.00 0.00 0.00 17.79 17.61 3h6i h ALA 20 CO -0.08 -0.18 0.48 -0.09 0.00 0.00 0.00 179.25 179.39 3h6i h ARG 21 N -0.62 0.77 -0.28 0.00 2.43 -0.93 -1.74 114.38 114.00 3h6i h ARG 21 Ca -0.00 -0.05 -0.17 0.00 -0.81 0.00 0.00 59.98 58.96 3h6i h ARG 21 Cb 0.64 -0.17 -0.00 0.00 -0.42 0.00 0.00 29.97 30.01 3h6i h ARG 21 CO 0.00 0.51 -0.49 0.87 -1.51 0.00 0.00 179.97 179.35 3h6i h LYS 22 N 0.79 0.77 -0.24 0.20 1.57 -1.22 -0.63 116.57 117.81 3h6i h LYS 22 Ca 0.31 -0.45 -0.12 0.00 -1.87 0.00 0.00 60.65 58.53 3h6i h LYS 22 Cb 0.22 0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.56 3h6i h LYS 22 CO -0.10 1.08 -0.35 0.78 -0.57 0.00 0.00 179.45 180.28 3h6i h GLY 23 N 0.87 0.56 1.15 3.86 0.00 -1.16 -1.57 103.07 106.78 3h6i h GLY 23 Ca 0.03 -0.53 -0.20 0.00 0.00 0.00 0.00 47.33 46.63 3h6i h GLY 23 CO 0.10 0.48 -0.63 -2.22 0.00 0.00 0.00 176.54 174.28 3h6i h ILE 24 N 0.44 1.27 -0.01 2.60 2.04 -1.15 -3.06 117.51 119.64 3h6i h ILE 24 Ca 0.05 -1.81 -0.05 0.00 1.00 0.00 0.00 64.86 64.04 3h6i h ILE 24 Cb 0.82 1.76 -0.01 0.00 -0.74 0.00 0.00 36.82 38.66 3h6i h ILE 24 CO 0.07 0.59 -0.25 0.00 0.00 0.00 0.00 178.15 178.55 3h6i h ALA 25 N 0.63 1.56 0.00 1.87 0.00 -0.94 -1.25 119.26 121.13 3h6i h ALA 25 Ca -0.01 -0.24 -0.05 0.00 0.00 0.00 0.00 54.91 54.61 3h6i h ALA 25 Cb 1.25 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.98 3h6i h ALA 25 CO 0.14 0.33 -0.24 -0.09 0.00 0.00 0.00 179.25 179.38 3h6i h ARG 26 N 0.02 0.00 -7.15 0.00 2.43 -1.25 -3.33 114.38 105.09 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 0.46 0.00 0.06 0.00 -0.42 0.00 0.00 29.97 30.07 3h6i h ARG 26 CO 0.03 0.24 0.19 0.00 -1.51 0.00 0.00 179.97 178.93 3h6i s ALA 27 N -3.32 3.27 0.86 2.80 0.00 -0.88 -4.92 121.76 119.57 3h6i s ALA 27 Ca 0.03 -0.72 -0.11 0.00 0.00 0.00 0.00 51.96 51.17 3h6i s ALA 27 Cb 0.08 -2.62 0.11 0.00 0.00 0.00 0.00 23.12 20.69 3h6i s ALA 27 CO 0.67 -0.88 1.11 0.15 0.00 0.00 0.00 175.76 176.81 3h6i s LYS 28 N -5.04 1.49 0.12 0.00 -0.14 -1.26 -1.76 119.74 113.16 3h6i s LYS 28 Ca 0.55 1.23 -0.02 0.00 -1.36 0.00 0.00 55.97 56.37 3h6i s LYS 28 Cb -0.11 -1.81 -0.05 0.00 -1.68 0.00 0.00 37.83 34.19 3h6i s LYS 28 CO 0.45 -2.20 0.32 -1.12 -0.76 0.00 0.00 175.35 172.05 3h6i s SER 29 N -3.10 6.43 0.01 2.83 0.01 -1.26 -4.06 113.70 114.56 3h6i s SER 29 Ca 0.64 0.45 0.03 0.00 1.31 0.00 0.00 55.95 58.37 3h6i s SER 29 Cb -0.20 -2.03 -0.01 0.00 0.21 0.00 0.00 66.02 63.99 3h6i s SER 29 CO 0.57 0.08 -0.08 -0.69 0.41 0.00 0.00 173.24 173.53 3h6i s VAL 30 N -1.64 0.62 -0.04 3.43 1.01 0.58 -1.99 120.40 122.37 3h6i s VAL 30 Ca 0.39 -0.54 0.03 0.00 0.00 0.00 0.00 61.98 61.85 3h6i s VAL 30 Cb -0.12 -0.56 0.01 0.00 0.00 0.00 0.00 36.38 35.70 3h6i s VAL 30 CO 0.26 0.03 -0.11 -0.69 0.00 0.00 0.00 175.10 174.60 3h6i s VAL 31 N -0.49 0.95 -0.09 2.92 1.01 -0.10 -0.26 120.40 124.34 3h6i s VAL 31 Ca 0.00 -0.42 0.02 0.00 0.00 0.00 0.00 61.98 61.58 3h6i s VAL 31 Cb -0.05 -0.85 0.01 0.00 0.00 0.00 0.00 36.38 35.49 3h6i s VAL 31 CO 0.00 0.30 -0.14 0.00 0.00 0.00 0.00 175.10 175.26 3h6i s ALA 32 N 0.36 1.50 0.02 5.51 0.00 -0.46 -0.78 121.76 127.92 3h6i s ALA 32 Ca -0.07 -0.59 -0.04 0.00 0.00 0.00 0.00 51.96 51.25 3h6i s ALA 32 Cb -0.11 -0.73 -0.01 0.00 0.00 0.00 0.00 23.12 22.26 3h6i s ALA 32 CO 0.02 -0.02 0.07 -0.48 0.00 0.00 0.00 175.76 175.35 3h6i s LEU 33 N 0.91 1.87 0.08 0.00 0.05 -0.03 -0.40 118.68 121.16 3h6i s LEU 33 Ca -0.09 -0.45 -0.26 0.00 0.05 0.00 0.00 54.13 53.38 3h6i s LEU 33 Cb -0.15 0.48 -0.06 0.00 -2.05 0.00 0.00 46.19 44.41 3h6i s LEU 33 CO 0.00 -0.42 0.82 0.00 -0.55 0.00 0.00 176.35 176.21 3h6i s ALA 34 N -2.01 3.34 0.00 1.48 0.00 -0.47 -0.46 121.76 123.65 3h6i s ALA 34 Ca -0.10 0.38 0.00 0.00 0.00 0.00 0.00 51.96 52.24 3h6i s ALA 34 Cb -0.05 -3.08 0.00 0.00 0.00 0.00 0.00 23.12 20.00 3h6i s ALA 34 CO -0.02 0.06 0.00 2.48 0.00 0.00 0.00 175.76 178.28 3h6i n TYR 35 N 2.67 0.00 0.03 0.00 0.18 -0.76 -4.76 117.16 114.51 3h6i n TYR 35 Ca -0.01 0.00 -0.13 0.00 1.88 0.00 0.00 57.90 59.64 3h6i n TYR 35 Cb 0.50 0.00 -0.08 0.00 -0.38 0.00 0.00 39.34 39.37 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 -0.13 -3.48 0.00 -1.58 -3.23 119.26 111.80 3h6i h ALA 36 Ca 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.79 3h6i h ALA 36 Cb 0.00 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.80 3h6i h ALA 36 CO 0.00 -0.41 0.00 0.41 0.00 0.00 0.00 179.25 179.25 3h6i n GLY 37 N -0.49 -0.15 0.00 0.00 0.00 -1.26 -5.02 105.19 98.27 3h6i n GLY 37 Ca -0.08 -0.29 0.00 0.00 0.00 0.00 0.00 46.02 45.65 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 0.97 0.36 3.24 -0.02 0.00 -1.22 -1.02 105.19 107.50 3h6i n GLY 38 Ca 0.14 -0.64 -0.25 0.00 0.00 0.00 0.00 46.02 45.26 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 1.63 -0.07 1.61 1.01 -0.74 -1.83 120.40 122.01 3h6i s VAL 39 Ca 0.00 -1.16 0.05 0.00 0.00 0.00 0.00 61.98 60.87 3h6i s VAL 39 Cb 0.00 -1.42 -0.01 0.00 0.00 0.00 0.00 36.38 34.96 3h6i s VAL 39 CO 0.00 0.22 -0.24 -0.22 0.00 0.00 0.00 175.10 174.85 3h6i s LEU 40 N -1.12 2.06 -0.11 3.92 2.96 0.39 -1.17 118.68 125.62 3h6i s LEU 40 Ca 0.07 -0.51 0.02 0.00 -0.22 0.00 0.00 54.13 53.49 3h6i s LEU 40 Cb -0.09 -1.35 -0.01 0.00 0.50 0.00 0.00 46.19 45.24 3h6i s LEU 40 CO 0.02 0.22 -0.20 -0.36 -1.32 0.00 0.00 176.35 174.71 3h6i s PHE 41 N -0.02 2.66 -0.05 5.38 0.08 0.65 -0.85 117.98 125.84 3h6i s PHE 41 Ca -0.08 -0.88 -0.00 0.00 0.12 0.00 0.00 56.93 56.09 3h6i s PHE 41 Cb -0.15 -1.76 0.03 0.00 -0.57 0.00 0.00 43.02 40.57 3h6i s PHE 41 CO 0.05 -0.33 -0.01 0.08 -0.10 0.00 0.00 175.22 174.91 3h6i s VAL 42 N 0.34 0.33 0.05 -0.44 1.01 0.04 -1.88 120.40 119.85 3h6i s VAL 42 Ca -0.16 0.06 0.03 0.00 0.00 0.00 0.00 61.98 61.91 3h6i s VAL 42 Cb -0.17 -0.43 -0.02 0.00 0.00 0.00 0.00 36.38 35.75 3h6i s VAL 42 CO 0.08 0.21 -0.10 0.00 0.00 0.00 0.00 175.10 175.29 3h6i s ALA 43 N 1.35 0.76 -0.49 5.51 0.00 -0.55 -0.92 121.76 127.42 3h6i s ALA 43 Ca -0.05 -0.78 -0.29 0.00 0.00 0.00 0.00 51.96 50.84 3h6i s ALA 43 Cb -0.13 -0.02 0.03 0.00 0.00 0.00 0.00 23.12 22.99 3h6i s ALA 43 CO -0.02 0.06 1.14 -1.21 0.00 0.00 0.00 175.76 175.72 3h6i s GLU 44 N -1.46 3.70 -0.27 0.00 2.02 -0.84 -1.93 118.70 119.92 3h6i s GLU 44 Ca -0.06 0.52 -0.01 0.00 0.02 0.00 0.00 54.97 55.43 3h6i s GLU 44 Cb -0.09 -3.92 0.13 0.00 0.10 0.00 0.00 34.13 30.34 3h6i s GLU 44 CO 0.01 -1.41 0.28 1.21 0.02 0.00 0.00 175.26 175.37 3h6i s ASN 45 N 2.51 1.56 0.42 -0.19 2.47 -0.51 -4.69 114.94 116.51 3h6i s ASN 45 Ca 0.47 -0.59 0.21 0.00 0.42 0.00 0.00 52.86 53.38 3h6i s ASN 45 Cb -0.07 0.50 0.86 0.00 -1.45 0.00 0.00 41.25 41.09 3h6i s ASN 45 CO 0.31 -0.37 1.81 1.55 -3.72 0.00 0.00 177.10 176.68 3h6i h PRO 46 N 8.27 0.00 -6.96 0.43 0.13 -1.80 -3.33 132.00 128.74 3h6i h PRO 46 Ca -0.15 0.00 -0.50 0.00 -0.87 0.00 0.00 66.00 64.48 3h6i h PRO 46 Cb 1.10 0.00 0.05 0.00 0.13 0.00 0.00 31.00 32.27 3h6i h PRO 46 CO 0.32 0.29 0.48 0.45 -0.23 0.00 0.00 178.00 179.31 3h6i s SER 47 N -6.34 6.51 0.05 1.44 0.15 -1.26 -4.84 113.70 109.40 3h6i s SER 47 Ca -0.00 2.26 0.22 0.00 0.70 0.00 0.00 55.95 59.13 3h6i s SER 47 Cb 0.11 -2.60 -0.11 0.00 -1.71 0.00 0.00 66.02 61.70 3h6i s SER 47 CO 0.66 -0.68 0.84 -2.11 1.20 0.00 0.00 173.24 173.14 3h6i n ARG 48 N -0.08 0.45 -0.01 5.44 1.85 -1.26 -4.58 116.66 118.48 3h6i n ARG 48 Ca 0.05 -0.04 -0.00 0.00 -1.00 0.00 0.00 57.85 56.85 3h6i n ARG 48 Cb 0.48 -1.61 -0.01 0.00 -1.05 0.00 0.00 32.46 30.27 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 -2.17 4.70 -4.46 2.89 3.41 -1.26 -4.93 113.62 111.80 3h6i n SER 49 Ca -0.00 0.00 -0.43 0.00 -0.26 0.00 0.00 58.87 58.17 3h6i n SER 49 Cb 0.50 0.59 -0.03 0.00 -0.26 0.00 0.00 64.21 65.00 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 -3.98 4.70 0.19 1.04 1.43 -1.26 -5.01 118.68 115.79 3h6i s LEU 50 Ca -0.01 -1.62 -0.28 0.00 -1.03 0.00 0.00 54.13 51.19 3h6i s LEU 50 Cb 0.00 -2.42 -0.08 0.00 0.03 0.00 0.00 46.19 43.72 3h6i s LEU 50 CO 0.05 -1.23 0.88 -1.10 0.23 0.00 0.00 176.35 175.18 3h6i s GLN 51 N 3.35 4.73 -0.01 1.70 -0.21 -1.26 -4.84 119.66 123.11 3h6i s GLN 51 Ca 0.30 1.36 0.15 0.00 0.02 0.00 0.00 55.36 57.19 3h6i s GLN 51 Cb -0.09 -3.29 -0.21 0.00 1.00 0.00 0.00 33.01 30.42 3h6i s GLN 51 CO -0.03 0.49 0.44 1.63 -2.12 0.00 0.00 175.29 175.71 3h6i n LYS 52 N 1.72 1.02 -5.16 2.91 5.02 -1.26 -4.96 118.16 117.44 3h6i n LYS 52 Ca -0.03 -0.09 -0.32 0.00 -2.02 0.00 0.00 58.31 55.85 3h6i n LYS 52 Cb 0.48 -1.31 -0.16 0.00 -0.02 0.00 0.00 35.03 34.03 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 -2.84 2.33 0.07 -0.18 1.01 -1.26 -1.13 121.20 119.19 3h6i s ILE 53 Ca -0.02 -0.98 -0.21 0.00 0.00 0.00 0.00 60.65 59.45 3h6i s ILE 53 Cb 0.10 -1.86 0.05 0.00 0.01 0.00 0.00 42.46 40.76 3h6i s ILE 53 CO 0.63 0.57 0.49 -0.55 0.00 0.00 0.00 174.94 176.08 3h6i s SER 54 N -0.30 -0.39 0.35 3.58 0.15 0.91 -4.99 113.70 113.01 3h6i s SER 54 Ca 0.01 0.05 -0.27 0.00 0.70 0.00 0.00 55.95 56.44 3h6i s SER 54 Cb -0.13 0.48 -0.09 0.00 -1.71 0.00 0.00 66.02 64.58 3h6i s SER 54 CO 0.02 -0.75 1.16 -0.70 1.20 0.00 0.00 173.24 174.17 3h6i s GLU 55 N -2.75 4.30 -0.05 5.44 2.12 -1.26 0.40 118.70 126.90 3h6i s GLU 55 Ca -0.04 1.85 -0.05 0.00 0.36 0.00 0.00 54.97 57.10 3h6i s GLU 55 Cb -0.00 -2.89 -0.03 0.00 0.26 0.00 0.00 34.13 31.47 3h6i s GLU 55 CO -0.04 -0.11 -0.11 1.28 -0.54 0.00 0.00 175.26 175.74 3h6i n LEU 56 N 0.53 0.92 0.00 2.70 4.77 -0.62 -4.77 117.00 120.53 3h6i n LEU 56 Ca 0.02 0.14 0.00 0.00 -0.03 0.00 0.00 56.01 56.14 3h6i n LEU 56 Cb 0.45 -0.34 0.00 0.00 -2.33 0.00 0.00 43.42 41.21 3h6i n LEU 56 CO 0.52 -0.14 0.00 0.00 -1.33 0.00 0.00 177.39 176.45 3h6i n TYR 57 N -3.55 -0.20 -0.09 -1.77 9.36 -0.93 -4.77 117.16 115.21 3h6i n TYR 57 Ca -0.12 0.00 -0.08 0.00 3.32 0.00 0.00 57.90 61.02 3h6i n TYR 57 Cb 0.44 0.00 -0.00 0.00 -0.63 0.00 0.00 39.34 39.14 3h6i n TYR 57 CO 0.00 0.00 0.00 -0.44 0.22 0.00 0.00 176.86 176.64 3h6i h ASP 58 N 0.00 0.19 -0.10 2.98 3.32 -1.94 -3.16 116.42 117.71 3h6i h ASP 58 Ca 0.00 0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.07 3h6i h ASP 58 Cb 0.00 -0.02 0.00 0.00 0.22 0.00 0.00 39.33 39.53 3h6i h ASP 58 CO 0.00 0.15 0.00 0.54 -1.72 0.00 0.00 179.24 178.21 3h6i n ARG 59 N -4.98 2.65 -4.74 3.56 5.12 -1.26 -0.97 116.66 116.05 3h6i n ARG 59 Ca -0.00 -1.59 -0.33 0.00 -1.93 0.00 0.00 57.85 53.99 3h6i n ARG 59 Cb 0.08 -1.09 -0.13 0.00 -1.16 0.00 0.00 32.46 30.17 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 -0.94 3.27 0.35 1.55 1.01 -1.20 -2.17 120.40 122.28 3h6i s VAL 60 Ca 0.07 -0.61 0.09 0.00 0.00 0.00 0.00 61.98 61.53 3h6i s VAL 60 Cb 0.04 -2.35 -0.07 0.00 0.00 0.00 0.00 36.38 34.00 3h6i s VAL 60 CO 0.05 0.55 -0.08 -0.83 0.00 0.00 0.00 175.10 174.79 3h6i s GLY 61 N -0.14 2.22 0.04 4.51 0.00 0.22 -1.59 107.32 112.58 3h6i s GLY 61 Ca -0.00 -2.11 0.03 0.00 0.00 0.00 0.00 44.72 42.64 3h6i s GLY 61 CO 0.03 -2.03 -0.10 -0.12 0.00 0.00 0.00 173.10 170.88 3h6i s PHE 62 N -2.64 0.88 -0.18 1.90 2.19 0.16 -1.62 117.98 118.69 3h6i s PHE 62 Ca 0.33 -0.39 -0.16 0.00 0.33 0.00 0.00 56.93 57.04 3h6i s PHE 62 Cb 0.03 -0.52 0.05 0.00 -1.31 0.00 0.00 43.02 41.27 3h6i s PHE 62 CO 0.16 -0.02 0.47 0.00 1.83 0.00 0.00 175.22 177.67 3h6i s ALA 63 N -1.02 -1.16 0.11 11.12 0.00 -0.33 -0.06 121.76 130.41 3h6i s ALA 63 Ca -0.04 1.34 -0.06 0.00 0.00 0.00 0.00 51.96 53.20 3h6i s ALA 63 Cb -0.08 -0.78 -0.02 0.00 0.00 0.00 0.00 23.12 22.24 3h6i s ALA 63 CO 0.01 -0.22 0.15 0.00 0.00 0.00 0.00 175.76 175.69 3h6i s ALA 64 N 0.31 0.15 0.01 0.00 0.00 -0.29 0.01 121.76 121.95 3h6i s ALA 64 Ca -0.01 -0.94 0.01 0.00 0.00 0.00 0.00 51.96 51.03 3h6i s ALA 64 Cb -0.03 0.60 -0.01 0.00 0.00 0.00 0.00 23.12 23.68 3h6i s ALA 64 CO -0.00 -0.51 -0.04 0.00 0.00 0.00 0.00 175.76 175.20 3h6i s ALA 65 N -3.93 0.34 0.00 0.00 0.00 -0.41 -4.84 121.76 112.91 3h6i s ALA 65 Ca 0.12 -0.28 0.00 0.00 0.00 0.00 0.00 51.96 51.80 3h6i s ALA 65 Cb 0.05 -0.04 0.00 0.00 0.00 0.00 0.00 23.12 23.13 3h6i s ALA 65 CO -0.06 0.05 0.00 0.41 0.00 0.00 0.00 175.76 176.16 3h6i n GLY 66 N 2.66 0.62 3.62 0.00 0.00 -1.26 -1.20 105.19 109.64 3h6i n GLY 66 Ca -0.15 -1.73 -0.43 0.00 0.00 0.00 0.00 46.02 43.71 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 -1.47 3.83 0.16 1.61 2.20 -0.46 -4.90 119.74 120.71 3h6i s LYS 67 Ca 0.00 1.13 -0.28 0.00 -0.36 0.00 0.00 55.97 56.46 3h6i s LYS 67 Cb 0.00 -3.91 -0.01 0.00 -1.51 0.00 0.00 37.83 32.40 3h6i s LYS 67 CO 0.00 -1.24 1.55 0.35 -0.36 0.00 0.00 175.35 175.66 3h6i h PHE 68 N 9.60 -1.55 -0.76 4.03 3.57 -1.96 -1.77 116.94 128.10 3h6i h PHE 68 Ca -0.26 0.10 0.21 0.00 3.53 0.00 0.00 57.97 61.55 3h6i h PHE 68 Cb 1.10 0.78 -0.03 0.00 2.79 0.00 0.00 35.95 40.58 3h6i h PHE 68 CO 0.91 -0.42 0.54 -2.95 -2.23 0.00 0.00 178.31 174.16 3h6i h ASN 69 N -0.17 0.06 0.17 0.41 7.08 -1.99 0.22 115.58 121.34 3h6i h ASN 69 Ca 0.17 0.01 -0.23 0.00 -3.08 0.00 0.00 56.30 53.16 3h6i h ASN 69 Cb 0.53 -0.01 0.02 0.00 -2.08 0.00 0.00 38.32 36.79 3h6i h ASN 69 CO -0.78 0.02 -1.03 -0.33 -2.08 0.00 0.00 177.43 173.24 3h6i h GLU 70 N 0.06 0.35 0.00 4.14 5.08 -1.74 -2.99 114.58 119.47 3h6i h GLU 70 Ca 0.37 -0.60 -0.12 0.00 -1.00 0.00 0.00 59.36 58.01 3h6i h GLU 70 Cb 1.38 0.22 -0.02 0.00 0.50 0.00 0.00 28.75 30.84 3h6i h GLU 70 CO -0.03 1.29 -0.57 0.27 -1.00 0.00 0.00 179.01 178.97 3h6i h PHE 71 N -0.25 0.00 -0.29 4.33 -5.15 -0.93 -2.91 116.94 111.74 3h6i h PHE 71 Ca -0.19 0.00 -0.13 0.00 -0.20 0.00 0.00 57.97 57.46 3h6i h PHE 71 Cb 1.78 0.00 -0.01 0.00 0.22 0.00 0.00 35.95 37.93 3h6i h PHE 71 CO 0.18 0.57 -0.35 0.22 -2.00 0.00 0.00 178.31 176.92 3h6i h ASP 72 N 0.00 0.68 -0.66 -0.68 3.58 -1.10 -0.13 116.42 118.12 3h6i h ASP 72 Ca -0.01 -0.29 -0.04 0.00 0.42 0.00 0.00 57.03 57.12 3h6i h ASP 72 Cb 1.42 -0.19 -0.03 0.00 1.72 0.00 0.00 39.33 42.25 3h6i h ASP 72 CO 0.07 0.97 0.25 -1.13 -2.88 0.00 0.00 179.24 176.53 3h6i h ASN 73 N 0.55 0.94 0.29 2.28 -1.24 -1.45 -0.40 115.58 116.55 3h6i h ASN 73 Ca 0.06 -0.15 -0.16 0.00 0.71 0.00 0.00 56.30 56.76 3h6i h ASN 73 Cb 0.85 -0.24 -0.01 0.00 0.73 0.00 0.00 38.32 39.65 3h6i h ASN 73 CO 0.07 0.85 -0.65 -0.07 -1.29 0.00 0.00 177.43 176.34 3h6i h LEU 74 N 0.99 0.39 -0.52 0.34 3.38 -1.31 -1.69 115.31 116.90 3h6i h LEU 74 Ca 0.23 -0.24 -0.04 0.00 0.09 0.00 0.00 57.88 57.92 3h6i h LEU 74 Cb 0.22 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 40.84 3h6i h LEU 74 CO -0.02 0.94 0.17 -0.09 0.09 0.00 0.00 178.44 179.53 3h6i h ARG 75 N 0.24 0.80 -0.38 1.13 2.43 -0.22 -0.38 114.38 118.00 3h6i h ARG 75 Ca -0.01 -0.17 -0.08 0.00 -0.81 0.00 0.00 59.98 58.90 3h6i h ARG 75 Cb 1.20 -0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 30.62 3h6i h ARG 75 CO 0.11 0.74 -0.09 0.00 -1.51 0.00 0.00 179.97 179.21 3h6i h ARG 76 N 0.71 0.73 -0.46 0.20 3.08 -1.01 -1.70 114.38 115.93 3h6i h ARG 76 Ca 0.17 -0.28 -0.05 0.00 0.07 0.00 0.00 59.98 59.89 3h6i h ARG 76 Cb 0.26 -0.04 -0.02 0.00 0.08 0.00 0.00 29.97 30.25 3h6i h ARG 76 CO -0.01 0.88 0.08 0.78 -1.07 0.00 0.00 179.97 180.63 3h6i h GLY 77 N 0.53 0.76 1.39 0.04 0.00 -1.19 0.21 103.07 104.81 3h6i h GLY 77 Ca 0.09 -0.44 -0.15 0.00 0.00 0.00 0.00 47.33 46.83 3h6i h GLY 77 CO 0.04 0.42 -0.47 -1.33 0.00 0.00 0.00 176.54 175.20 3h6i h GLY 78 N 0.91 0.72 1.17 4.60 0.00 -0.82 -0.33 103.07 109.31 3h6i h GLY 78 Ca 0.15 -0.78 -0.13 0.00 0.00 0.00 0.00 47.33 46.57 3h6i h GLY 78 CO 0.00 0.70 -0.23 -2.22 0.00 0.00 0.00 176.54 174.79 3h6i h ILE 79 N 0.53 1.27 -0.42 2.60 2.04 -0.56 -0.89 117.51 122.08 3h6i h ILE 79 Ca 0.03 -1.39 -0.02 0.00 1.00 0.00 0.00 64.86 64.48 3h6i h ILE 79 Cb 1.01 1.16 -0.02 0.00 -0.74 0.00 0.00 36.82 38.23 3h6i h ILE 79 CO 0.10 0.48 0.19 -0.61 0.00 0.00 0.00 178.15 178.30 3h6i h GLN 80 N 0.82 0.61 -0.14 2.37 5.75 -0.81 -0.97 115.11 122.74 3h6i h GLN 80 Ca 0.10 -0.10 -0.01 0.00 -0.15 0.00 0.00 58.65 58.49 3h6i h GLN 80 Cb 0.80 -0.11 -0.01 0.00 1.07 0.00 0.00 27.48 29.24 3h6i h GLN 80 CO 0.07 0.55 0.05 0.35 -2.65 0.00 0.00 178.83 177.19 3h6i h PHE 81 N 0.53 0.23 -0.45 3.99 3.57 -0.92 -2.38 116.94 121.50 3h6i h PHE 81 Ca 0.14 -0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.60 3h6i h PHE 81 Cb 0.15 -0.07 -0.02 0.00 2.79 0.00 0.00 35.95 38.80 3h6i h PHE 81 CO -0.01 0.33 0.20 0.00 -2.23 0.00 0.00 178.31 176.60 3h6i h ALA 82 N 0.87 0.59 -0.48 2.41 0.00 -0.93 -1.21 119.26 120.51 3h6i h ALA 82 Ca 0.05 -0.13 -0.08 0.00 0.00 0.00 0.00 54.91 54.74 3h6i h ALA 82 Cb 0.21 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 3h6i h ALA 82 CO -0.00 0.18 -0.02 -0.44 0.00 0.00 0.00 179.25 178.97 3h6i h ASP 83 N 0.59 0.79 -0.30 0.00 3.32 -1.18 -1.04 116.42 118.59 3h6i h ASP 83 Ca 0.15 -0.20 -0.09 0.00 0.02 0.00 0.00 57.03 56.91 3h6i h ASP 83 Cb 0.17 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 39.50 3h6i h ASP 83 CO -0.02 0.87 -0.17 0.74 -1.72 0.00 0.00 179.24 178.94 3h6i h THR 84 N 0.76 1.29 -0.26 0.35 2.02 -1.29 -2.42 112.91 113.36 3h6i h THR 84 Ca 0.14 -1.28 -0.04 0.00 0.77 0.00 0.00 66.41 66.00 3h6i h THR 84 Cb 0.48 1.47 -0.01 0.00 -1.74 0.00 0.00 68.15 68.36 3h6i h THR 84 CO 0.02 0.41 0.01 0.03 0.37 0.00 0.00 175.52 176.37 3h6i h ARG 85 N 0.41 0.46 -0.11 6.66 2.47 -1.07 -1.71 114.38 121.48 3h6i h ARG 85 Ca 0.07 -0.14 -0.06 0.00 -1.26 0.00 0.00 59.98 58.59 3h6i h ARG 85 Cb 0.70 -0.04 -0.01 0.00 -1.65 0.00 0.00 29.97 28.96 3h6i h ARG 85 CO 0.05 0.61 -0.20 0.78 0.56 0.00 0.00 179.97 181.77 3h6i h GLY 86 N 0.25 0.19 0.80 0.04 0.00 -1.20 0.72 103.07 103.86 3h6i h GLY 86 Ca 0.08 -0.13 -0.13 0.00 0.00 0.00 0.00 47.33 47.15 3h6i h GLY 86 CO 0.01 0.12 -0.47 -1.82 0.00 0.00 0.00 176.54 174.38 3h6i h TYR 87 N 0.17 0.60 0.00 5.60 3.20 -1.22 -3.06 116.97 122.27 3h6i h TYR 87 Ca 0.03 -0.28 -0.08 0.00 3.14 0.00 0.00 58.73 61.55 3h6i h TYR 87 Cb 0.45 -0.09 -0.01 0.00 1.54 0.00 0.00 36.73 38.62 3h6i h TYR 87 CO 0.01 1.06 -0.36 0.00 -1.64 0.00 0.00 178.16 177.22 3h6i h ALA 88 N 0.42 0.93 -3.00 1.82 0.00 -1.08 -3.44 119.26 114.91 3h6i h ALA 88 Ca -0.04 -0.33 0.00 0.00 0.00 0.00 0.00 54.91 54.54 3h6i h ALA 88 Cb 1.13 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.86 3h6i h ALA 88 CO 0.10 0.45 0.00 0.66 0.00 0.00 0.00 179.25 180.45 3h6i n TYR 89 N -3.42 0.00 -3.85 0.00 4.01 0.22 -5.08 117.16 109.05 3h6i n TYR 89 Ca 0.00 0.00 -0.09 0.00 -0.16 0.00 0.00 57.90 57.65 3h6i n TYR 89 Cb 0.54 0.00 -0.06 0.00 -0.31 0.00 0.00 39.34 39.50 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 0.96 -0.01 0.57 7.72 1.47 -1.16 -4.98 116.67 121.24 3h6i s ASP 90 Ca 0.00 -0.67 0.31 0.00 1.18 0.00 0.00 52.55 53.37 3h6i s ASP 90 Cb 0.00 0.43 1.74 0.00 -0.34 0.00 0.00 42.92 44.75 3h6i s ASP 90 CO 0.00 -0.86 2.19 0.03 0.68 0.00 0.00 175.17 177.21 3h6i h ARG 91 N 2.54 0.00 0.00 2.11 3.08 -1.91 -2.44 114.38 117.76 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 1.23 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.28 3h6i h ARG 91 CO 0.49 0.05 0.00 -2.13 -1.07 0.00 0.00 179.97 177.31 3h6i n ARG 92 N -3.62 0.22 0.20 0.04 0.63 -1.26 -2.79 116.66 110.08 3h6i n ARG 92 Ca -0.02 0.31 0.04 0.00 -0.92 0.00 0.00 57.85 57.26 3h6i n ARG 92 Cb 0.15 -1.82 0.40 0.00 0.45 0.00 0.00 32.46 31.64 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 -1.81 -3.40 116.42 117.72 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 0.55 0.00 -0.06 0.00 1.72 0.00 0.00 39.33 41.54 3h6i h ASP 93 CO 0.00 0.34 0.88 -0.69 -2.88 0.00 0.00 179.24 176.89 3h6i s VAL 94 N -4.10 4.40 0.19 2.25 1.01 -1.12 -4.92 120.40 118.11 3h6i s VAL 94 Ca -0.02 1.62 0.03 0.00 0.00 0.00 0.00 61.98 63.61 3h6i s VAL 94 Cb 0.14 -4.30 -0.05 0.00 0.00 0.00 0.00 36.38 32.16 3h6i s VAL 94 CO 0.70 -0.43 -0.03 0.42 0.00 0.00 0.00 175.10 175.77 3h6i s THR 95 N 3.79 0.94 0.26 3.92 -4.23 -1.26 -4.96 115.64 114.10 3h6i s THR 95 Ca 0.49 -2.02 -0.02 0.00 -1.18 0.00 0.00 61.69 58.96 3h6i s THR 95 Cb -0.14 -2.13 0.14 0.00 1.34 0.00 0.00 72.50 71.70 3h6i s THR 95 CO 0.17 -0.49 1.79 1.23 -0.54 0.00 0.00 174.62 176.78 3h6i h GLY 96 N 2.63 0.93 0.82 3.99 0.00 -1.94 -1.85 103.07 107.66 3h6i h GLY 96 Ca -0.37 -0.57 0.03 0.00 0.00 0.00 0.00 47.33 46.42 3h6i h GLY 96 CO 0.64 0.53 0.33 -0.09 0.00 0.00 0.00 176.54 177.95 3h6i h ARG 97 N 0.82 0.63 0.03 4.80 2.43 -1.96 0.31 114.38 121.45 3h6i h ARG 97 Ca 0.17 -0.04 -0.00 0.00 -0.81 0.00 0.00 59.98 59.30 3h6i h ARG 97 Cb 0.35 -0.14 0.00 0.00 -0.42 0.00 0.00 29.97 29.76 3h6i h ARG 97 CO 0.01 0.42 -0.01 0.37 -1.51 0.00 0.00 179.97 179.24 3h6i h GLN 98 N 0.65 -0.04 -0.78 0.20 4.15 -1.84 -0.31 115.11 117.14 3h6i h GLN 98 Ca 0.24 0.00 -0.05 0.00 0.77 0.00 0.00 58.65 59.61 3h6i h GLN 98 Cb 0.07 0.01 -0.03 0.00 0.21 0.00 0.00 27.48 27.73 3h6i h GLN 98 CO -0.12 0.16 0.29 -0.07 -1.93 0.00 0.00 178.83 177.15 3h6i h LEU 99 N -0.23 1.10 -0.67 -2.39 3.38 -0.93 -1.23 115.31 114.34 3h6i h LEU 99 Ca -0.00 -0.19 -0.09 0.00 0.09 0.00 0.00 57.88 57.69 3h6i h LEU 99 Cb 0.21 -0.29 -0.02 0.00 0.09 0.00 0.00 40.66 40.65 3h6i h LEU 99 CO 0.01 0.99 0.07 0.00 0.09 0.00 0.00 178.44 179.59 3h6i h ALA 100 N 1.15 0.89 -0.64 1.53 0.00 -0.24 -0.29 119.26 121.66 3h6i h ALA 100 Ca 0.26 -0.29 -0.02 0.00 0.00 0.00 0.00 54.91 54.86 3h6i h ALA 100 Cb 0.25 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.77 3h6i h ALA 100 CO -0.02 0.67 0.34 -0.97 0.00 0.00 0.00 179.25 179.27 3h6i h ASN 101 N 1.02 0.80 -0.45 0.00 -0.73 -0.73 -0.19 115.58 115.31 3h6i h ASN 101 Ca 0.19 -0.11 -0.11 0.00 1.87 0.00 0.00 56.30 58.15 3h6i h ASN 101 Cb 0.49 -0.21 -0.02 0.00 0.27 0.00 0.00 38.32 38.86 3h6i h ASN 101 CO 0.02 0.68 -0.12 0.58 -0.37 0.00 0.00 177.43 178.22 3h6i h VAL 102 N 0.87 1.26 -0.31 2.57 2.07 -0.65 -1.88 116.25 120.18 3h6i h VAL 102 Ca 0.22 -1.24 -0.11 0.00 0.82 0.00 0.00 66.70 66.39 3h6i h VAL 102 Cb 0.06 1.01 -0.01 0.00 -1.52 0.00 0.00 31.29 30.83 3h6i h VAL 102 CO -0.03 0.43 -0.26 1.88 0.02 0.00 0.00 177.57 179.61 3h6i h TYR 103 N 0.82 0.69 -0.52 1.57 0.05 -0.62 -1.31 116.97 117.64 3h6i h TYR 103 Ca 0.13 -0.16 -0.03 0.00 0.05 0.00 0.00 58.73 58.73 3h6i h TYR 103 Cb 0.65 -0.17 -0.02 0.00 1.01 0.00 0.00 36.73 38.20 3h6i h TYR 103 CO 0.04 0.81 0.22 0.00 -1.05 0.00 0.00 178.16 178.17 3h6i h ALA 104 N 1.19 0.68 -0.41 3.88 0.00 -0.68 0.24 119.26 124.15 3h6i h ALA 104 Ca 0.07 -0.15 -0.11 0.00 0.00 0.00 0.00 54.91 54.73 3h6i h ALA 104 Cb 0.72 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.30 3h6i h ALA 104 CO 0.06 0.28 -0.16 1.96 0.00 0.00 0.00 179.25 181.38 3h6i h GLN 105 N 0.70 0.84 -0.03 0.00 1.08 -1.23 -0.30 115.11 116.17 3h6i h GLN 105 Ca 0.17 -0.35 -0.01 0.00 -1.45 0.00 0.00 58.65 57.02 3h6i h GLN 105 Cb 0.18 -0.03 -0.00 0.00 -0.05 0.00 0.00 27.48 27.58 3h6i h GLN 105 CO -0.02 0.98 -0.00 1.15 -0.95 0.00 0.00 178.83 180.00 3h6i h THR 106 N 0.65 1.27 -0.65 -0.54 2.02 -0.86 -1.61 112.91 113.20 3h6i h THR 106 Ca 0.10 -0.80 -0.09 0.00 0.77 0.00 0.00 66.41 66.39 3h6i h THR 106 Cb 0.71 1.74 -0.02 0.00 -1.74 0.00 0.00 68.15 68.84 3h6i h THR 106 CO 0.05 0.21 0.07 -0.07 0.37 0.00 0.00 175.52 176.15 3h6i h LEU 107 N -0.26 1.05 -0.96 2.58 3.38 -0.52 -1.64 115.31 118.94 3h6i h LEU 107 Ca 0.01 -0.27 0.01 0.00 0.09 0.00 0.00 57.88 57.72 3h6i h LEU 107 Cb 0.35 -0.28 -0.05 0.00 0.09 0.00 0.00 40.66 40.77 3h6i h LEU 107 CO 0.00 1.07 0.64 1.23 0.09 0.00 0.00 178.44 181.47 3h6i h GLY 108 N 1.03 1.36 1.23 0.83 0.00 -0.99 0.11 103.07 106.63 3h6i h GLY 108 Ca 0.19 -0.51 -0.17 0.00 0.00 0.00 0.00 47.33 46.85 3h6i h GLY 108 CO 0.02 0.50 -0.47 -0.84 0.00 0.00 0.00 176.54 175.75 3h6i h THR 109 N 1.31 1.28 -0.25 4.70 2.02 -1.09 -2.46 112.91 118.42 3h6i h THR 109 Ca 0.35 -1.65 -0.02 0.00 0.77 0.00 0.00 66.41 65.86 3h6i h THR 109 Cb -0.15 1.54 -0.01 0.00 -1.74 0.00 0.00 68.15 67.79 3h6i h THR 109 CO -0.08 0.54 0.08 0.40 0.37 0.00 0.00 175.52 176.84 3h6i h ILE 110 N 0.66 1.19 -0.35 3.11 2.04 -0.30 0.24 117.51 124.09 3h6i h ILE 110 Ca 0.04 -0.60 0.04 0.00 1.00 0.00 0.00 64.86 65.34 3h6i h ILE 110 Cb 1.05 1.12 -0.02 0.00 -0.74 0.00 0.00 36.82 38.23 3h6i h ILE 110 CO 0.10 0.20 0.24 0.15 0.00 0.00 0.00 178.15 178.84 3h6i h PHE 111 N 0.24 0.28 0.00 1.37 3.57 -0.76 -0.98 116.94 120.67 3h6i h PHE 111 Ca 0.08 0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.58 3h6i h PHE 111 Cb 0.23 -0.09 -0.00 0.00 2.79 0.00 0.00 35.95 38.87 3h6i h PHE 111 CO 0.00 0.16 -0.47 1.15 -2.23 0.00 0.00 178.31 176.92 3h6i h THR 112 N 0.29 0.05 0.02 4.41 2.02 -1.16 -3.44 112.91 115.10 3h6i h THR 112 Ca 0.15 -1.06 -0.22 0.00 0.77 0.00 0.00 66.41 66.05 3h6i h THR 112 Cb 0.24 0.12 -0.00 0.00 -1.74 0.00 0.00 68.15 66.76 3h6i h THR 112 CO -0.03 0.02 -0.97 -0.33 0.37 0.00 0.00 175.52 174.58 3h6i h GLU 113 N -1.00 0.33 -7.24 6.66 3.07 -0.52 -3.48 114.58 112.41 3h6i h GLU 113 Ca -0.02 -0.38 -0.50 0.00 -0.50 0.00 0.00 59.36 57.97 3h6i h GLU 113 Cb 0.48 0.11 0.06 0.00 -0.84 0.00 0.00 28.75 28.56 3h6i h GLU 113 CO -0.01 1.08 0.31 -0.65 -1.40 0.00 0.00 179.01 178.34 3h6i s GLN 114 N -3.16 3.40 0.27 2.33 -0.21 -0.38 -5.01 119.66 116.91 3h6i s GLN 114 Ca -0.05 0.48 0.12 0.00 0.02 0.00 0.00 55.36 55.93 3h6i s GLN 114 Cb 0.09 -2.17 0.32 0.00 1.00 0.00 0.00 33.01 32.24 3h6i s GLN 114 CO 0.86 -0.56 1.57 0.00 -2.12 0.00 0.00 175.29 175.04 3h6i h ALA 115 N -0.21 0.85 -3.33 6.09 0.00 -1.92 -3.42 119.26 117.32 3h6i h ALA 115 Ca -0.45 -0.56 -0.47 0.00 0.00 0.00 0.00 54.91 53.43 3h6i h ALA 115 Cb 1.21 -0.10 -0.36 0.00 0.00 0.00 0.00 17.79 18.55 3h6i h ALA 115 CO 0.62 0.77 -0.79 0.21 0.00 0.00 0.00 179.25 180.06 3h6i s LYS 116 N -3.40 1.14 0.87 0.00 2.20 -1.26 -5.11 119.74 114.17 3h6i s LYS 116 Ca -0.00 -0.16 -0.12 0.00 -0.36 0.00 0.00 55.97 55.33 3h6i s LYS 116 Cb 0.11 -1.18 0.12 0.00 -1.51 0.00 0.00 37.83 35.37 3h6i s LYS 116 CO 0.75 -0.16 1.10 -1.25 -0.36 0.00 0.00 175.35 175.43 3h6i s PRO 117 N 1.32 1.44 0.03 4.03 0.04 -1.26 -4.91 135.00 135.69 3h6i s PRO 117 Ca -0.04 0.72 -0.30 0.00 0.04 0.00 0.00 61.00 61.42 3h6i s PRO 117 Cb -0.14 -1.84 -0.04 0.00 0.04 0.00 0.00 34.50 32.52 3h6i s PRO 117 CO -0.03 -2.09 1.08 0.71 0.04 0.00 0.00 177.00 176.71 3h6i s TYR 118 N -3.02 3.57 -1.36 0.56 1.51 -1.26 -4.90 117.35 112.45 3h6i s TYR 118 Ca 0.63 1.53 -0.10 0.00 -1.01 0.00 0.00 57.07 58.12 3h6i s TYR 118 Cb -0.17 -3.25 0.10 0.00 -0.11 0.00 0.00 41.96 38.54 3h6i s TYR 118 CO 0.56 -0.56 2.17 0.39 -1.11 0.00 0.00 175.55 177.00 3h6i n GLU 119 N 3.89 3.66 -4.04 -0.62 1.02 -1.26 -4.72 120.64 118.57 3h6i n GLU 119 Ca 0.07 -3.18 -0.08 0.00 -0.02 0.00 0.00 57.16 53.96 3h6i n GLU 119 Cb 0.49 -2.93 -0.10 0.00 -0.02 0.00 0.00 31.44 28.88 3h6i n GLU 119 CO 0.00 0.00 0.00 0.14 1.18 0.00 0.00 177.13 178.45 3h6i s VAL 120 N 0.85 0.20 -0.03 2.62 -7.23 -1.26 -1.35 120.40 114.20 3h6i s VAL 120 Ca 0.47 -1.62 -0.00 0.00 -1.81 0.00 0.00 61.98 59.02 3h6i s VAL 120 Cb 0.13 -1.36 0.03 0.00 0.56 0.00 0.00 36.38 35.74 3h6i s VAL 120 CO -0.04 -0.89 0.03 -0.70 -0.31 0.00 0.00 175.10 173.19 3h6i s GLU 121 N -3.64 -0.00 0.08 4.82 2.12 -0.34 -3.15 118.70 118.59 3h6i s GLU 121 Ca 0.04 0.22 0.09 0.00 0.36 0.00 0.00 54.97 55.68 3h6i s GLU 121 Cb 0.06 -0.34 -0.04 0.00 0.26 0.00 0.00 34.13 34.07 3h6i s GLU 121 CO -0.09 -0.20 -0.22 -0.51 -0.54 0.00 0.00 175.26 173.70 3h6i s LEU 122 N 1.34 2.48 -0.08 2.70 1.02 -0.25 -1.29 118.68 124.59 3h6i s LEU 122 Ca -0.06 -0.56 0.02 0.00 0.02 0.00 0.00 54.13 53.55 3h6i s LEU 122 Cb -0.13 -1.41 0.01 0.00 0.02 0.00 0.00 46.19 44.68 3h6i s LEU 122 CO -0.03 0.22 -0.13 0.00 0.02 0.00 0.00 176.35 176.43 3h6i s VAL 124 N 0.87 2.82 0.14 0.00 1.01 -0.70 -1.19 120.40 123.36 3h6i s VAL 124 Ca -0.10 -0.72 0.09 0.00 0.00 0.00 0.00 61.98 61.25 3h6i s VAL 124 Cb -0.15 -2.20 -0.04 0.00 0.00 0.00 0.00 36.38 33.99 3h6i s VAL 124 CO 0.01 0.51 -0.20 0.00 0.00 0.00 0.00 175.10 175.42 3h6i s ALA 125 N 0.73 2.00 -0.03 5.51 0.00 -0.64 -0.61 121.76 128.71 3h6i s ALA 125 Ca -0.06 -1.41 -0.02 0.00 0.00 0.00 0.00 51.96 50.47 3h6i s ALA 125 Cb -0.15 -0.23 0.02 0.00 0.00 0.00 0.00 23.12 22.75 3h6i s ALA 125 CO 0.01 0.32 0.07 -2.00 0.00 0.00 0.00 175.76 174.17 3h6i s GLU 126 N -2.39 0.06 0.48 0.00 2.12 -0.53 -0.61 118.70 117.84 3h6i s GLU 126 Ca 0.12 0.15 0.05 0.00 0.36 0.00 0.00 54.97 55.65 3h6i s GLU 126 Cb -0.08 -0.05 -0.01 0.00 0.26 0.00 0.00 34.13 34.25 3h6i s GLU 126 CO 0.06 -0.06 0.22 0.14 -0.54 0.00 0.00 175.26 175.08 3h6i s VAL 127 N 0.39 1.79 0.74 3.70 -7.23 -0.92 -0.84 120.40 118.03 3h6i s VAL 127 Ca -0.03 -1.70 -0.11 0.00 -1.81 0.00 0.00 61.98 58.34 3h6i s VAL 127 Cb -0.04 -2.48 0.04 0.00 0.56 0.00 0.00 36.38 34.45 3h6i s VAL 127 CO -0.01 0.00 1.08 0.00 -0.31 0.00 0.00 175.10 175.86 3h6i s ALA 128 N -2.73 2.41 0.68 1.32 0.00 -1.26 -4.87 121.76 117.31 3h6i s ALA 128 Ca 0.30 0.20 -0.12 0.00 0.00 0.00 0.00 51.96 52.34 3h6i s ALA 128 Cb 0.01 -3.24 0.00 0.00 0.00 0.00 0.00 23.12 19.90 3h6i s ALA 128 CO 0.17 -1.57 1.06 -1.01 0.00 0.00 0.00 175.76 174.42 3h6i s HIS 129 N -2.96 3.05 0.22 0.00 3.76 -1.26 -4.81 115.29 113.29 3h6i s HIS 129 Ca 0.60 1.45 -0.32 0.00 -0.15 0.00 0.00 55.06 56.63 3h6i s HIS 129 Cb -0.16 -2.91 -0.13 0.00 1.11 0.00 0.00 32.58 30.48 3h6i s HIS 129 CO 0.56 -1.25 1.51 0.98 -0.85 0.00 0.00 174.74 175.69 3h6i n TYR 130 N -2.97 2.33 -0.99 1.40 9.36 -1.26 -2.30 117.16 122.73 3h6i n TYR 130 Ca 0.08 0.33 0.00 0.00 3.32 0.00 0.00 57.90 61.62 3h6i n TYR 130 Cb 0.53 -2.52 0.00 0.00 -0.63 0.00 0.00 39.34 36.72 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 2.72 0.47 3.69 2.98 0.00 -1.26 -5.02 105.19 108.76 3h6i n GLY 131 Ca 0.13 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.92 3h6i n GLY 131 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3h6i s GLU 132 N -0.30 2.46 -0.29 1.61 2.02 -0.97 -5.11 118.70 118.12 3h6i s GLU 132 Ca 0.00 -1.27 0.02 0.00 0.02 0.00 0.00 54.97 53.74 3h6i s GLU 132 Cb 0.00 -2.29 0.08 0.00 0.10 0.00 0.00 34.13 32.02 3h6i s GLU 132 CO 0.00 0.39 -0.01 0.95 0.02 0.00 0.00 175.26 176.61 3h6i s THR 133 N -2.16 1.92 -0.07 3.63 -4.23 -1.26 -4.78 115.64 108.69 3h6i s THR 133 Ca 0.31 -1.80 -0.05 0.00 -1.18 0.00 0.00 61.69 58.97 3h6i s THR 133 Cb -0.07 -2.26 0.02 0.00 1.34 0.00 0.00 72.50 71.53 3h6i s THR 133 CO 0.21 -0.34 0.17 -0.75 -0.54 0.00 0.00 174.62 173.37 3h6i s LYS 134 N 1.15 0.19 0.22 3.99 2.20 -1.26 -5.11 119.74 121.11 3h6i s LYS 134 Ca 0.02 0.27 -0.30 0.00 -0.36 0.00 0.00 55.97 55.60 3h6i s LYS 134 Cb -0.19 0.05 -0.09 0.00 -1.51 0.00 0.00 37.83 36.09 3h6i s LYS 134 CO -0.09 -0.05 1.17 1.03 -0.36 0.00 0.00 175.35 177.05 3h6i s ARG 135 N 0.30 4.54 0.45 4.03 0.52 -1.26 -4.43 118.95 123.09 3h6i s ARG 135 Ca -0.02 1.86 -0.23 0.00 -0.52 0.00 0.00 55.73 56.82 3h6i s ARG 135 Cb -0.03 -3.22 -0.09 0.00 0.52 0.00 0.00 34.95 32.13 3h6i s ARG 135 CO -0.01 0.01 1.05 -2.30 0.02 0.00 0.00 175.30 174.07 3h6i n PRO 136 N 1.97 1.37 -4.86 3.54 -0.02 -1.26 -4.86 135.00 130.88 3h6i n PRO 136 Ca 0.02 0.50 -0.33 0.00 -2.02 0.00 0.00 63.50 61.67 3h6i n PRO 136 Cb 0.45 -2.13 -0.13 0.00 -0.02 0.00 0.00 33.50 31.67 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 -2.18 2.60 -0.06 -0.52 2.02 -0.02 -4.98 118.70 115.56 3h6i s GLU 137 Ca 0.65 -0.68 0.01 0.00 0.02 0.00 0.00 54.97 54.96 3h6i s GLU 137 Cb -0.52 -2.42 0.02 0.00 0.10 0.00 0.00 34.13 31.31 3h6i s GLU 137 CO 0.55 0.59 -0.06 -0.51 0.02 0.00 0.00 175.26 175.85 3h6i s LEU 138 N -0.64 1.28 0.01 1.80 1.02 -1.21 -1.46 118.68 119.49 3h6i s LEU 138 Ca 0.10 -0.19 0.08 0.00 0.02 0.00 0.00 54.13 54.14 3h6i s LEU 138 Cb -0.11 -0.60 -0.02 0.00 0.02 0.00 0.00 46.19 45.48 3h6i s LEU 138 CO 0.01 -0.06 -0.26 -0.31 0.02 0.00 0.00 176.35 175.75 3h6i s TYR 139 N 1.12 2.33 -0.17 0.29 1.51 0.21 -0.74 117.35 121.91 3h6i s TYR 139 Ca -0.07 -0.42 -0.01 0.00 -1.01 0.00 0.00 57.07 55.56 3h6i s TYR 139 Cb -0.14 -1.46 0.00 0.00 -0.11 0.00 0.00 41.96 40.25 3h6i s TYR 139 CO -0.01 0.03 -0.14 0.50 -1.11 0.00 0.00 175.55 174.83 3h6i s ARG 140 N -0.88 3.22 -0.14 -0.62 3.52 -0.58 -1.72 118.95 121.75 3h6i s ARG 140 Ca 0.11 -0.73 0.01 0.00 -0.13 0.00 0.00 55.73 54.99 3h6i s ARG 140 Cb -0.10 -2.70 0.00 0.00 -1.56 0.00 0.00 34.95 30.59 3h6i s ARG 140 CO 0.00 -0.06 -0.18 0.42 -0.81 0.00 0.00 175.30 174.67 3h6i s ILE 141 N 1.02 2.41 0.32 4.11 1.09 0.27 -1.13 121.20 129.30 3h6i s ILE 141 Ca -0.01 -0.86 0.07 0.00 -1.10 0.00 0.00 60.65 58.74 3h6i s ILE 141 Cb -0.15 -1.99 -0.02 0.00 -1.06 0.00 0.00 42.46 39.24 3h6i s ILE 141 CO -0.03 0.53 0.35 0.42 -0.10 0.00 0.00 174.94 176.11 3h6i s THR 142 N 0.73 3.87 0.59 2.92 -4.23 -0.56 -1.09 115.64 117.88 3h6i s THR 142 Ca -0.08 -1.23 0.34 0.00 -1.18 0.00 0.00 61.69 59.54 3h6i s THR 142 Cb -0.16 -3.31 0.49 0.00 1.34 0.00 0.00 72.50 70.86 3h6i s THR 142 CO 0.01 -0.19 1.53 0.10 -0.54 0.00 0.00 174.62 175.52 3h6i h TYR 143 N 1.14 0.00 -0.02 3.99 -0.00 -1.83 0.86 116.97 121.11 3h6i h TYR 143 Ca -0.46 0.00 0.00 0.00 -0.00 0.00 0.00 58.73 58.27 3h6i h TYR 143 Cb 1.25 0.00 0.00 0.00 -0.00 0.00 0.00 36.73 37.98 3h6i h TYR 143 CO 0.49 0.00 -0.22 -0.40 -0.00 0.00 0.00 178.16 178.04 3h6i n ASP 144 N -3.58 2.31 0.00 0.10 5.75 -1.26 -4.56 116.55 115.31 3h6i n ASP 144 Ca 0.26 -1.67 0.00 0.00 -0.01 0.00 0.00 54.79 53.37 3h6i n ASP 144 Cb 1.45 0.21 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 1.36 0.93 3.75 6.12 0.00 0.30 -4.14 105.19 113.51 3h6i n GLY 145 Ca 0.12 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.74 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 -2.06 7.60 -0.05 1.61 0.01 -1.25 -4.74 113.70 114.82 3h6i s SER 146 Ca 0.00 1.96 0.05 0.00 1.31 0.00 0.00 55.95 59.26 3h6i s SER 146 Cb 0.00 -2.61 -0.00 0.00 0.21 0.00 0.00 66.02 63.62 3h6i s SER 146 CO 0.00 0.11 -0.19 -0.51 0.41 0.00 0.00 173.24 173.05 3h6i s ILE 147 N -1.03 1.60 -0.06 1.44 2.07 -1.26 -1.49 121.20 122.47 3h6i s ILE 147 Ca 0.42 -0.81 0.02 0.00 -1.41 0.00 0.00 60.65 58.87 3h6i s ILE 147 Cb -0.26 -1.37 0.01 0.00 0.13 0.00 0.00 42.46 40.97 3h6i s ILE 147 CO 0.32 0.46 -0.11 0.00 -1.91 0.00 0.00 174.94 173.70 3h6i s ALA 148 N -0.00 1.18 -0.18 1.50 0.00 -0.29 -4.99 121.76 118.98 3h6i s ALA 148 Ca -0.04 -0.38 -0.20 0.00 0.00 0.00 0.00 51.96 51.33 3h6i s ALA 148 Cb -0.12 -0.53 -0.03 0.00 0.00 0.00 0.00 23.12 22.44 3h6i s ALA 148 CO 0.03 0.11 0.61 0.34 0.00 0.00 0.00 175.76 176.85 3h6i s ASP 149 N 0.62 6.69 -0.12 0.00 -1.08 -1.26 -1.53 116.67 119.98 3h6i s ASP 149 Ca -0.13 0.83 0.03 0.00 -0.52 0.00 0.00 52.55 52.76 3h6i s ASP 149 Cb -0.15 -2.34 0.01 0.00 -1.46 0.00 0.00 42.92 38.98 3h6i s ASP 149 CO 0.03 -0.23 -0.23 -1.61 0.52 0.00 0.00 175.17 173.66 3h6i s GLU 150 N 1.70 3.01 0.14 4.34 0.41 0.08 -5.01 118.70 123.36 3h6i s GLU 150 Ca 0.28 -0.86 -0.13 0.00 -0.41 0.00 0.00 54.97 53.86 3h6i s GLU 150 Cb -0.16 -2.36 -0.01 0.00 -1.78 0.00 0.00 34.13 29.82 3h6i s GLU 150 CO 0.11 0.06 1.55 -1.00 -0.49 0.00 0.00 175.26 175.49 3h6i h PRO 151 N 7.07 0.85 0.00 0.39 0.13 -1.94 -3.19 132.00 135.32 3h6i h PRO 151 Ca -0.27 -0.32 -0.01 0.00 -0.87 0.00 0.00 66.00 64.53 3h6i h PRO 151 Cb 1.21 -0.05 -0.00 0.00 0.13 0.00 0.00 31.00 32.29 3h6i h PRO 151 CO 0.52 0.96 -1.04 0.72 -0.23 0.00 0.00 178.00 178.93 3h6i n HIS 152 N -4.28 0.00 -3.84 1.56 8.25 -1.26 -4.88 115.22 110.77 3h6i n HIS 152 Ca -0.00 0.00 -0.10 0.00 -0.26 0.00 0.00 57.72 57.36 3h6i n HIS 152 Cb 0.38 -0.02 -0.08 0.00 1.12 0.00 0.00 29.99 31.38 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 -2.01 0.09 -0.01 4.41 -0.12 -1.26 -1.36 117.98 117.71 3h6i s PHE 153 Ca -0.01 -0.41 0.02 0.00 -0.05 0.00 0.00 56.93 56.49 3h6i s PHE 153 Cb 0.00 -0.03 -0.00 0.00 -0.63 0.00 0.00 43.02 42.36 3h6i s PHE 153 CO 0.01 -0.49 -0.08 0.08 -0.05 0.00 0.00 175.22 174.69 3h6i s VAL 154 N -3.21 0.65 -0.06 -2.49 1.01 0.47 -4.93 120.40 111.84 3h6i s VAL 154 Ca -0.00 -0.33 0.02 0.00 0.00 0.00 0.00 61.98 61.67 3h6i s VAL 154 Cb 0.02 -0.57 0.01 0.00 0.00 0.00 0.00 36.38 35.85 3h6i s VAL 154 CO -0.07 0.20 -0.13 -0.69 0.00 0.00 0.00 175.10 174.40 3h6i s VAL 155 N -0.04 1.16 0.03 2.92 1.01 -1.26 -1.35 120.40 122.87 3h6i s VAL 155 Ca 0.01 -0.50 0.01 0.00 0.00 0.00 0.00 61.98 61.50 3h6i s VAL 155 Cb -0.05 -1.05 -0.02 0.00 0.00 0.00 0.00 36.38 35.26 3h6i s VAL 155 CO -0.00 0.36 -0.05 -0.04 0.00 0.00 0.00 175.10 175.36 3h6i s MET 156 N 0.61 0.41 0.05 2.72 -1.94 0.65 -5.01 119.30 116.78 3h6i s MET 156 Ca -0.14 -0.60 0.00 0.00 -1.71 0.00 0.00 55.69 53.24 3h6i s MET 156 Cb -0.15 -0.16 0.00 0.00 2.01 0.00 0.00 34.83 36.53 3h6i s MET 156 CO 0.04 0.02 0.00 0.41 -0.01 0.00 0.00 175.02 175.48 3h6i n GLY 157 N 1.77 -2.84 7.00 -0.03 0.00 -1.26 -0.31 105.19 109.52 3h6i n GLY 157 Ca -0.21 -1.30 0.00 0.00 0.00 0.00 0.00 46.02 44.51 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 -1.72 1.97 3.29 -0.02 0.00 -0.52 -4.22 105.19 103.97 3h6i n GLY 158 Ca -0.00 -0.58 -0.45 0.00 0.00 0.00 0.00 46.02 44.99 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 5.07 0.13 2.61 -4.23 -1.26 -4.30 115.64 113.66 3h6i s THR 159 Ca 0.00 -1.63 -0.11 0.00 -1.18 0.00 0.00 61.69 58.77 3h6i s THR 159 Cb 0.00 -4.25 -0.09 0.00 1.34 0.00 0.00 72.50 69.50 3h6i s THR 159 CO 0.00 -0.87 1.41 0.71 -0.54 0.00 0.00 174.62 175.34 3h6i h THR 160 N 5.84 1.27 -0.47 3.99 1.35 -1.95 -3.39 112.91 119.55 3h6i h THR 160 Ca -0.25 -1.71 0.09 0.00 -0.55 0.00 0.00 66.41 63.99 3h6i h THR 160 Cb 1.09 1.60 -0.09 0.00 -1.73 0.00 0.00 68.15 69.02 3h6i h THR 160 CO 0.99 0.56 -0.10 -0.33 -0.25 0.00 0.00 175.52 176.40 3h6i h GLU 161 N 0.69 0.02 0.00 4.72 3.07 -1.96 0.62 114.58 121.74 3h6i h GLU 161 Ca 0.02 -0.00 -0.07 0.00 -0.50 0.00 0.00 59.36 58.81 3h6i h GLU 161 Cb 1.14 -0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 29.04 3h6i h GLU 161 CO 0.12 0.01 -0.33 -1.00 -1.40 0.00 0.00 179.01 176.41 3h6i h PRO 162 N 0.02 0.00 0.03 2.33 0.13 -1.98 -1.11 132.00 131.42 3h6i h PRO 162 Ca 0.23 0.00 -0.27 0.00 -0.87 0.00 0.00 66.00 65.09 3h6i h PRO 162 Cb 0.35 0.00 0.02 0.00 0.13 0.00 0.00 31.00 31.50 3h6i h PRO 162 CO -0.47 0.33 -1.07 0.82 -0.23 0.00 0.00 178.00 177.38 3h6i h ILE 163 N 0.00 1.31 -0.42 -3.56 2.04 -1.64 -2.20 117.51 113.04 3h6i h ILE 163 Ca -0.00 -2.36 -0.10 0.00 1.00 0.00 0.00 64.86 63.40 3h6i h ILE 163 Cb 0.62 2.47 -0.01 0.00 -0.74 0.00 0.00 36.82 39.16 3h6i h ILE 163 CO 0.04 0.72 -0.12 0.00 0.00 0.00 0.00 178.15 178.80 3h6i h ALA 164 N 0.46 0.58 -0.23 1.87 0.00 -0.72 -2.50 119.26 118.73 3h6i h ALA 164 Ca -0.13 -0.33 -0.14 0.00 0.00 0.00 0.00 54.91 54.30 3h6i h ALA 164 Cb 1.73 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 19.36 3h6i h ALA 164 CO 0.20 0.47 -0.45 -0.91 0.00 0.00 0.00 179.25 178.57 3h6i h ASN 165 N 0.64 0.61 0.49 0.00 -0.26 -1.26 -1.38 115.58 114.43 3h6i h ASN 165 Ca 0.10 -0.29 -0.06 0.00 -0.56 0.00 0.00 56.30 55.50 3h6i h ASN 165 Cb 0.65 -0.17 -0.01 0.00 -1.06 0.00 0.00 38.32 37.73 3h6i h ASN 165 CO 0.04 0.98 -0.28 0.00 -1.06 0.00 0.00 177.43 177.11 3h6i h ALA 166 N 1.05 1.27 0.21 -0.83 0.00 -1.32 -2.95 119.26 116.69 3h6i h ALA 166 Ca 0.03 -0.25 -0.35 0.00 0.00 0.00 0.00 54.91 54.34 3h6i h ALA 166 Cb 0.96 -0.04 0.02 0.00 0.00 0.00 0.00 17.79 18.73 3h6i h ALA 166 CO 0.09 0.34 -1.66 -0.07 0.00 0.00 0.00 179.25 177.95 3h6i h LEU 167 N 0.00 0.70 -0.94 0.00 3.38 -1.16 -3.07 115.31 114.23 3h6i h LEU 167 Ca -0.00 -0.92 0.17 0.00 0.09 0.00 0.00 57.88 57.21 3h6i h LEU 167 Cb 0.59 -0.23 -0.10 0.00 0.09 0.00 0.00 40.66 41.01 3h6i h LEU 167 CO 0.04 1.76 0.53 0.11 0.09 0.00 0.00 178.44 180.97 3h6i h LYS 168 N 0.12 0.69 0.00 1.13 1.57 -1.08 -0.70 116.57 118.30 3h6i h LYS 168 Ca -0.31 -0.04 -0.10 0.00 -1.87 0.00 0.00 60.65 58.32 3h6i h LYS 168 Cb 2.13 -0.15 -0.02 0.00 0.08 0.00 0.00 32.23 34.27 3h6i h LYS 168 CO 0.21 0.45 -0.56 1.49 -0.57 0.00 0.00 179.45 180.48 3h6i h GLU 169 N 0.71 0.00 -0.07 3.15 4.81 -1.69 -3.38 114.58 118.10 3h6i h GLU 169 Ca 0.53 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.76 3h6i h GLU 169 Cb 0.78 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.16 3h6i h GLU 169 CO -0.37 0.97 0.00 -1.13 -0.73 0.00 0.00 179.01 177.75 3h6i n SER 170 N -4.53 0.07 -4.71 1.04 3.41 -1.09 -4.89 113.62 102.91 3h6i n SER 170 Ca -0.20 -1.32 -0.41 0.00 -0.26 0.00 0.00 58.87 56.68 3h6i n SER 170 Cb 0.56 -0.04 -0.03 0.00 -0.26 0.00 0.00 64.21 64.44 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 -1.89 3.65 -0.08 7.33 5.04 -0.29 -4.99 117.35 126.12 3h6i s TYR 171 Ca 0.00 1.60 0.04 0.00 -2.44 0.00 0.00 57.07 56.27 3h6i s TYR 171 Cb 0.00 -3.04 -0.01 0.00 0.35 0.00 0.00 41.96 39.27 3h6i s TYR 171 CO 0.00 0.03 -0.23 0.00 -1.34 0.00 0.00 175.55 174.01 3h6i s ALA 172 N 0.89 2.24 0.14 3.97 0.00 -1.26 -5.06 121.76 122.68 3h6i s ALA 172 Ca 0.48 -0.99 -0.14 0.00 0.00 0.00 0.00 51.96 51.31 3h6i s ALA 172 Cb -0.20 -0.80 0.01 0.00 0.00 0.00 0.00 23.12 22.12 3h6i s ALA 172 CO 0.26 0.35 1.63 0.93 0.00 0.00 0.00 175.76 178.93 3h6i h GLU 173 N 6.37 0.77 -0.60 0.00 5.08 -1.98 -3.31 114.58 120.92 3h6i h GLU 173 Ca -0.26 -0.20 -0.41 0.00 -1.00 0.00 0.00 59.36 57.48 3h6i h GLU 173 Cb 1.21 -0.09 -0.28 0.00 0.50 0.00 0.00 28.75 30.08 3h6i h GLU 173 CO 0.48 0.78 -0.36 0.09 -1.00 0.00 0.00 179.01 179.00 3h6i n ASN 174 N -4.45 4.35 -4.71 1.42 4.13 -1.26 -4.22 115.26 110.52 3h6i n ASN 174 Ca 0.01 -3.79 -0.40 0.00 1.68 0.00 0.00 54.58 52.08 3h6i n ASN 174 Cb 0.25 -0.53 0.02 0.00 -1.54 0.00 0.00 39.78 37.98 3h6i n ASN 174 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3h6i n ALA 175 N -0.89 1.35 -0.63 5.41 0.00 -1.25 -4.10 120.51 120.41 3h6i n ALA 175 Ca 0.41 0.22 -0.30 0.00 0.00 0.00 0.00 53.44 53.77 3h6i n ALA 175 Cb 0.91 -2.29 0.19 0.00 0.00 0.00 0.00 19.45 18.26 3h6i n ALA 175 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3h6i n SER 176 N -0.11 -0.43 0.06 0.00 3.41 -1.26 -2.16 113.62 113.13 3h6i n SER 176 Ca 0.08 0.25 -0.12 0.00 -0.26 0.00 0.00 58.87 58.82 3h6i n SER 176 Cb 0.41 -1.39 -0.05 0.00 -0.26 0.00 0.00 64.21 62.92 3h6i n SER 176 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 175.04 175.13 3h6i h LEU 177 N -2.10 -0.85 -0.91 1.04 5.85 -1.99 0.12 115.31 116.46 3h6i h LEU 177 Ca -0.48 0.11 0.10 0.00 0.84 0.00 0.00 57.88 58.46 3h6i h LEU 177 Cb 1.29 0.35 -0.08 0.00 0.37 0.00 0.00 40.66 42.59 3h6i h LEU 177 CO 0.43 -0.35 0.55 0.74 -0.34 0.00 0.00 178.44 179.46 3h6i h THR 178 N -0.43 0.92 -0.15 1.05 2.02 -1.92 -0.60 112.91 113.80 3h6i h THR 178 Ca 0.06 -0.31 -0.11 0.00 0.77 0.00 0.00 66.41 66.83 3h6i h THR 178 Cb 0.52 -0.06 0.00 0.00 -1.74 0.00 0.00 68.15 66.87 3h6i h THR 178 CO -0.25 0.16 -0.32 0.44 0.37 0.00 0.00 175.52 175.93 3h6i h ASP 179 N 0.90 0.53 -0.41 4.18 3.32 -1.84 -2.97 116.42 120.13 3h6i h ASP 179 Ca 0.44 -0.56 -0.05 0.00 0.02 0.00 0.00 57.03 56.88 3h6i h ASP 179 Cb 0.41 -0.15 -0.02 0.00 0.22 0.00 0.00 39.33 39.78 3h6i h ASP 179 CO -0.25 1.00 0.09 0.00 -1.72 0.00 0.00 179.24 178.35 3h6i h ALA 180 N 0.55 1.25 -0.09 3.45 0.00 -0.16 -2.20 119.26 122.06 3h6i h ALA 180 Ca 0.00 -0.21 -0.00 0.00 0.00 0.00 0.00 54.91 54.70 3h6i h ALA 180 Cb 0.92 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 18.51 3h6i h ALA 180 CO 0.07 0.52 0.04 1.25 0.00 0.00 0.00 179.25 181.12 3h6i h LEU 181 N 0.72 0.12 -0.79 0.00 5.85 -1.14 -1.86 115.31 118.21 3h6i h LEU 181 Ca 0.16 -0.16 -0.03 0.00 0.84 0.00 0.00 57.88 58.68 3h6i h LEU 181 Cb 0.31 -0.03 -0.04 0.00 0.37 0.00 0.00 40.66 41.28 3h6i h LEU 181 CO 0.00 0.25 0.36 0.03 -0.34 0.00 0.00 178.44 178.74 3h6i h ARG 182 N -0.02 1.15 -0.39 1.25 3.08 -1.34 0.17 114.38 118.29 3h6i h ARG 182 Ca 0.03 -0.18 -0.04 0.00 0.07 0.00 0.00 59.98 59.85 3h6i h ARG 182 Cb 0.16 -0.20 -0.02 0.00 0.08 0.00 0.00 29.97 30.00 3h6i h ARG 182 CO -0.00 0.90 0.06 0.82 -1.07 0.00 0.00 179.97 180.69 3h6i h ILE 183 N 1.12 1.19 0.02 2.04 2.04 -1.32 -0.72 117.51 121.88 3h6i h ILE 183 Ca 0.27 -0.71 -0.08 0.00 1.00 0.00 0.00 64.86 65.33 3h6i h ILE 183 Cb 0.15 0.83 0.01 0.00 -0.74 0.00 0.00 36.82 37.06 3h6i h ILE 183 CO -0.03 0.25 -0.34 0.00 0.00 0.00 0.00 178.15 178.03 3h6i h ALA 184 N 1.50 0.02 -0.79 1.87 0.00 -0.55 -2.83 119.26 118.48 3h6i h ALA 184 Ca 0.13 -0.52 -0.02 0.00 0.00 0.00 0.00 54.91 54.50 3h6i h ALA 184 Cb 0.27 0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.05 3h6i h ALA 184 CO 0.00 0.15 0.40 0.28 0.00 0.00 0.00 179.25 180.08 3h6i h VAL 185 N -0.49 1.24 -0.62 0.00 2.07 -0.53 -1.97 116.25 115.95 3h6i h VAL 185 Ca -0.05 -0.65 -0.01 0.00 0.82 0.00 0.00 66.70 66.81 3h6i h VAL 185 Cb 1.13 0.21 -0.03 0.00 -1.52 0.00 0.00 31.29 31.08 3h6i h VAL 185 CO 0.07 0.28 0.34 0.00 0.02 0.00 0.00 177.57 178.28 3h6i h ALA 186 N 1.32 0.79 -0.76 1.67 0.00 -1.19 -1.86 119.26 119.24 3h6i h ALA 186 Ca 0.27 -0.10 -0.05 0.00 0.00 0.00 0.00 54.91 55.04 3h6i h ALA 186 Cb 0.08 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.59 3h6i h ALA 186 CO -0.04 0.31 0.30 0.00 0.00 0.00 0.00 179.25 179.82 3h6i h ALA 187 N 1.16 1.09 -0.61 0.00 0.00 -1.17 -2.87 119.26 116.87 3h6i h ALA 187 Ca 0.22 -0.19 -0.04 0.00 0.00 0.00 0.00 54.91 54.90 3h6i h ALA 187 Cb 0.04 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 17.51 3h6i h ALA 187 CO -0.03 0.64 0.23 -0.07 0.00 0.00 0.00 179.25 180.02 3h6i h LEU 188 N 1.10 0.85 -1.35 0.00 3.38 -0.88 -2.96 115.31 115.45 3h6i h LEU 188 Ca 0.25 -0.18 -0.04 0.00 0.09 0.00 0.00 57.88 58.01 3h6i h LEU 188 Cb 0.22 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.73 3h6i h LEU 188 CO -0.02 0.80 0.05 -0.09 0.09 0.00 0.00 178.44 179.27 3h6i h ARG 189 N 0.85 0.49 -0.74 1.13 2.43 -1.16 -2.74 114.38 114.63 3h6i h ARG 189 Ca 0.20 -0.08 0.01 0.00 -0.81 0.00 0.00 59.98 59.29 3h6i h ARG 189 Cb 0.22 -0.08 -0.04 0.00 -0.42 0.00 0.00 29.97 29.66 3h6i h ARG 189 CO -0.01 0.48 0.49 0.00 -1.51 0.00 0.00 179.97 179.41 3h6i h ALA 190 N 1.59 0.93 0.00 2.80 0.00 -1.33 -3.52 119.26 119.73 3h6i h ALA 190 Ca 0.11 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.97 3h6i h ALA 190 Cb 0.23 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 17.72 3h6i h ALA 190 CO 0.00 0.36 -0.56 0.41 0.00 0.00 0.00 179.25 179.45 3h6i n GLY 191 N -1.29 -1.26 0.00 0.00 0.00 -1.04 -4.98 105.19 96.61 3h6i n GLY 191 Ca 0.07 -0.34 0.00 0.00 0.00 0.00 0.00 46.02 45.74 3h6i n GLY 191 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3h6i n LEU 203 N -1.62 0.00 0.00 0.99 4.77 -1.26 -4.93 117.00 114.96 3h6i n LEU 203 Ca 0.05 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.03 3h6i n LEU 203 Cb 0.36 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.45 3h6i n LEU 203 CO 0.36 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 177.03 3h6i n GLY 204 N 0.00 5.47 0.25 -0.72 0.00 -1.26 -4.99 105.19 103.93 3h6i n GLY 204 Ca 0.00 -2.00 -0.08 0.00 0.00 0.00 0.00 46.02 43.93 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 1.23 0.00 1.61 2.07 -1.95 -2.55 116.25 116.66 3h6i h VAL 205 Ca 0.00 -0.78 0.00 0.00 0.82 0.00 0.00 66.70 66.74 3h6i h VAL 205 Cb 0.00 0.75 0.00 0.00 -1.52 0.00 0.00 31.29 30.52 3h6i h VAL 205 CO 0.00 0.29 0.00 0.00 0.02 0.00 0.00 177.57 177.88 3h6i n ALA 206 N -2.37 1.68 -0.01 1.67 0.00 -1.26 -2.64 120.51 117.58 3h6i n ALA 206 Ca 0.02 -0.05 0.00 0.00 0.00 0.00 0.00 53.44 53.41 3h6i n ALA 206 Cb 0.20 -1.24 0.00 0.00 0.00 0.00 0.00 19.45 18.41 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 -1.49 1.57 -4.23 0.00 3.41 -1.12 -4.54 113.62 107.22 3h6i n SER 207 Ca 0.04 -1.58 -0.27 0.00 -0.26 0.00 0.00 58.87 56.80 3h6i n SER 207 Cb 0.17 0.00 -0.15 0.00 -0.26 0.00 0.00 64.21 63.97 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 -0.58 2.07 -0.22 1.04 1.43 -0.97 -1.42 118.68 120.03 3h6i s LEU 208 Ca 0.00 -0.41 -0.01 0.00 -1.03 0.00 0.00 54.13 52.68 3h6i s LEU 208 Cb 0.00 -1.04 0.02 0.00 0.03 0.00 0.00 46.19 45.21 3h6i s LEU 208 CO 0.00 0.23 -0.12 -0.70 0.23 0.00 0.00 176.35 175.99 3h6i s GLU 209 N -0.67 2.94 0.00 1.70 2.12 -0.81 -4.86 118.70 119.11 3h6i s GLU 209 Ca 0.08 -0.89 0.04 0.00 0.36 0.00 0.00 54.97 54.56 3h6i s GLU 209 Cb -0.08 -2.82 -0.01 0.00 0.26 0.00 0.00 34.13 31.48 3h6i s GLU 209 CO -0.00 -0.30 -0.14 0.08 -0.54 0.00 0.00 175.26 174.35 3h6i s VAL 210 N 1.32 1.11 0.09 3.70 1.01 -1.26 -1.48 120.40 124.89 3h6i s VAL 210 Ca 0.02 -0.69 -0.23 0.00 0.00 0.00 0.00 61.98 61.08 3h6i s VAL 210 Cb -0.15 -0.94 0.06 0.00 0.00 0.00 0.00 36.38 35.35 3h6i s VAL 210 CO -0.08 0.24 0.57 0.00 0.00 0.00 0.00 175.10 175.83 3h6i s ALA 211 N -0.45 -1.47 0.15 5.51 0.00 -0.79 -1.59 121.76 123.13 3h6i s ALA 211 Ca 0.05 0.60 0.07 0.00 0.00 0.00 0.00 51.96 52.67 3h6i s ALA 211 Cb -0.06 0.56 -0.04 0.00 0.00 0.00 0.00 23.12 23.59 3h6i s ALA 211 CO -0.00 -0.61 -0.15 0.14 0.00 0.00 0.00 175.76 175.14 3h6i s VAL 212 N -2.93 1.54 -0.63 0.00 -7.23 -0.15 -0.25 120.40 110.75 3h6i s VAL 212 Ca -0.03 -1.87 -0.08 0.00 -1.81 0.00 0.00 61.98 58.19 3h6i s VAL 212 Cb -0.00 -1.73 0.16 0.00 0.56 0.00 0.00 36.38 35.37 3h6i s VAL 212 CO -0.06 -0.43 0.49 -0.76 -0.31 0.00 0.00 175.10 174.04 3h6i s LEU 213 N -2.68 5.78 -0.62 1.32 1.43 -0.31 -1.17 118.68 122.41 3h6i s LEU 213 Ca 0.13 -2.52 -0.26 0.00 -1.03 0.00 0.00 54.13 50.46 3h6i s LEU 213 Cb -0.04 -1.99 0.04 0.00 0.03 0.00 0.00 46.19 44.23 3h6i s LEU 213 CO 0.05 -0.52 1.10 -0.62 0.23 0.00 0.00 176.35 176.58 3h6i s ASP 214 N 1.69 6.30 0.00 2.29 2.15 0.13 -1.79 116.67 127.43 3h6i s ASP 214 Ca 0.14 -0.36 0.02 0.00 0.43 0.00 0.00 52.55 52.78 3h6i s ASP 214 Cb -0.19 -2.50 0.11 0.00 -0.30 0.00 0.00 42.92 40.04 3h6i s ASP 214 CO -0.04 -1.49 1.08 0.00 -0.17 0.00 0.00 175.17 174.55 3h6i n ALA 215 N 8.25 1.10 1.17 3.66 0.00 -0.19 -1.49 120.51 133.01 3h6i n ALA 215 Ca 0.03 -0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.59 3h6i n ALA 215 Cb 0.48 -1.04 0.28 0.00 0.00 0.00 0.00 19.45 19.17 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 -1.51 1.15 -4.77 0.00 5.15 -1.26 -4.45 115.26 109.56 3h6i n ASN 216 Ca 0.01 -0.94 -0.38 0.00 -0.60 0.00 0.00 54.58 52.67 3h6i n ASN 216 Cb 0.03 0.24 -0.05 0.00 -0.53 0.00 0.00 39.78 39.46 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 -2.57 4.54 0.16 1.20 1.81 -0.56 -4.98 118.95 118.54 3h6i s ARG 217 Ca 0.21 1.52 -0.14 0.00 -1.72 0.00 0.00 55.73 55.60 3h6i s ARG 217 Cb 0.19 -2.91 0.04 0.00 -0.45 0.00 0.00 34.95 31.81 3h6i s ARG 217 CO 0.56 0.19 1.75 -1.35 -0.68 0.00 0.00 175.30 175.78 3h6i h PRO 218 N 3.33 0.69 0.00 3.54 0.11 -1.90 -3.41 132.00 134.36 3h6i h PRO 218 Ca -0.47 -0.09 0.00 0.00 0.11 0.00 0.00 66.00 65.55 3h6i h PRO 218 Cb 1.20 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 32.18 3h6i h PRO 218 CO 0.65 0.56 -0.19 -2.13 -0.21 0.00 0.00 178.00 176.68 3h6i n ARG 219 N -4.64 0.00 -3.08 1.05 0.63 -1.26 -4.46 116.66 104.90 3h6i n ARG 219 Ca 0.02 0.00 -0.43 0.00 -0.92 0.00 0.00 57.85 56.51 3h6i n ARG 219 Cb 0.10 -0.25 -0.06 0.00 0.45 0.00 0.00 32.46 32.70 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 3.17 0.30 -0.14 0.52 -1.26 -4.35 118.95 115.20 3h6i s ARG 220 Ca 0.00 -0.74 0.15 0.00 -0.52 0.00 0.00 55.73 54.62 3h6i s ARG 220 Cb 0.00 -4.09 0.39 0.00 0.52 0.00 0.00 34.95 31.77 3h6i s ARG 220 CO 0.00 -1.28 1.60 0.00 0.02 0.00 0.00 175.30 175.64 3h6i h ALA 221 N 9.07 0.86 -2.39 2.13 0.00 -1.29 -3.46 119.26 124.17 3h6i h ALA 221 Ca -0.27 -0.48 -0.54 0.00 0.00 0.00 0.00 54.91 53.62 3h6i h ALA 221 Cb 1.09 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.80 3h6i h ALA 221 CO 0.99 0.66 0.85 0.12 0.00 0.00 0.00 179.25 181.88 3h6i s PHE 222 N -3.39 2.81 -0.06 0.00 5.36 -1.26 0.17 117.98 121.61 3h6i s PHE 222 Ca 0.01 0.75 -0.02 0.00 -0.96 0.00 0.00 56.93 56.71 3h6i s PHE 222 Cb 0.11 -3.70 0.04 0.00 -0.34 0.00 0.00 43.02 39.12 3h6i s PHE 222 CO 0.73 -2.64 0.13 0.50 -1.46 0.00 0.00 175.22 172.48 3h6i s ARG 223 N 2.39 0.06 0.00 10.12 3.52 -0.32 -4.96 118.95 129.76 3h6i s ARG 223 Ca 0.65 0.37 -0.19 0.00 -0.13 0.00 0.00 55.73 56.42 3h6i s ARG 223 Cb -0.33 -0.21 -0.06 0.00 -1.56 0.00 0.00 34.95 32.79 3h6i s ARG 223 CO 0.27 -0.19 0.56 1.03 -0.81 0.00 0.00 175.30 176.16 3h6i s ARG 224 N 1.34 4.25 -0.43 5.12 0.52 -1.26 -0.98 118.95 127.51 3h6i s ARG 224 Ca -0.07 0.67 -0.07 0.00 -0.52 0.00 0.00 55.73 55.75 3h6i s ARG 224 Cb -0.12 -3.31 0.10 0.00 0.52 0.00 0.00 34.95 32.14 3h6i s ARG 224 CO -0.05 0.45 0.26 0.42 0.02 0.00 0.00 175.30 176.40 3h6i s ILE 225 N -0.43 3.86 0.43 1.52 1.01 -0.62 -4.98 121.20 121.99 3h6i s ILE 225 Ca 0.29 -1.77 0.04 0.00 0.00 0.00 0.00 60.65 59.21 3h6i s ILE 225 Cb -0.18 -3.52 -0.04 0.00 0.01 0.00 0.00 42.46 38.73 3h6i s ILE 225 CO 0.17 -0.66 0.04 0.42 0.00 0.00 0.00 174.94 174.91 3h6i s THR 226 N 1.30 1.29 0.00 2.92 -4.23 -1.26 -4.25 115.64 111.41 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 -0.24 -2.54 0.00 0.00 1.34 0.00 0.00 72.50 71.06 3h6i s THR 226 CO -0.01 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.68 3h6i n GLY 227 N -1.01 2.79 0.28 3.99 0.00 -1.26 -2.79 105.19 107.19 3h6i n GLY 227 Ca -0.10 -0.04 0.06 0.00 0.00 0.00 0.00 46.02 45.94 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 0.25 0.23 0.45 1.61 4.64 -2.00 -2.18 113.55 116.56 3h6i h SER 228 Ca 0.00 -0.01 -0.12 0.00 -0.47 0.00 0.00 61.79 61.19 3h6i h SER 228 Cb 0.00 -0.06 -0.01 0.00 -0.31 0.00 0.00 62.40 62.02 3h6i h SER 228 CO 0.00 0.18 -0.54 0.00 -0.87 0.00 0.00 176.83 175.59 3h6i h ALA 229 N 1.86 1.03 0.00 5.18 0.00 -1.94 -2.80 119.26 122.59 3h6i h ALA 229 Ca 0.07 -0.50 -0.12 0.00 0.00 0.00 0.00 54.91 54.36 3h6i h ALA 229 Cb -0.02 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 3h6i h ALA 229 CO -0.01 0.68 -0.59 1.25 0.00 0.00 0.00 179.25 180.58 3h6i h LEU 230 N 0.08 0.00 -0.49 0.00 5.85 -1.22 -3.13 115.31 116.39 3h6i h LEU 230 Ca -0.00 0.00 -0.14 0.00 0.84 0.00 0.00 57.88 58.58 3h6i h LEU 230 Cb 0.99 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.01 3h6i h LEU 230 CO 0.08 0.59 -0.29 -0.61 -0.34 0.00 0.00 178.44 177.87 3h6i h GLN 231 N 0.00 0.93 0.00 1.25 5.75 -1.25 -2.71 115.11 119.08 3h6i h GLN 231 Ca -0.01 -0.43 0.00 0.00 -0.15 0.00 0.00 58.65 58.06 3h6i h GLN 231 Cb 1.30 -0.01 0.00 0.00 1.07 0.00 0.00 27.48 29.84 3h6i h GLN 231 CO 0.08 1.09 0.00 0.00 -2.65 0.00 0.00 178.83 177.35 3h6i n ALA 232 N -2.53 1.51 0.04 3.38 0.00 -1.08 -1.48 120.51 120.36 3h6i n ALA 232 Ca -0.01 -0.03 0.01 0.00 0.00 0.00 0.00 53.44 53.40 3h6i n ALA 232 Cb 0.49 -1.11 0.01 0.00 0.00 0.00 0.00 19.45 18.84 3h6i n ALA 232 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3h6i n LEU 233 N -1.29 1.35 -0.35 0.00 4.32 -1.03 -5.10 117.00 114.90 3h6i n LEU 233 Ca 0.03 -1.23 0.04 0.00 -0.02 0.00 0.00 56.01 54.84 3h6i n LEU 233 Cb 0.06 -0.01 0.04 0.00 -1.62 0.00 0.00 43.42 41.89 3h6i n LEU 233 CO 0.05 0.33 0.39 0.18 -1.22 0.00 0.00 177.39 177.12