#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x7i n ALA 2 N 0.00 2.11 -2.58 3.17 0.00 -1.26 -4.98 120.51 116.97 1x7i n ALA 2 Ca 0.00 0.26 -0.39 0.00 0.00 0.00 0.00 53.44 53.31 1x7i n ALA 2 Cb 0.00 -2.40 -0.05 0.00 0.00 0.00 0.00 19.45 17.00 1x7i n ALA 2 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 1x7i s LEU 3 N -2.57 4.37 -0.31 0.00 2.96 -0.39 -4.97 118.68 117.77 1x7i s LEU 3 Ca 0.60 1.13 -0.09 0.00 -0.22 0.00 0.00 54.13 55.55 1x7i s LEU 3 Cb -0.45 -2.95 -0.00 0.00 0.50 0.00 0.00 46.19 43.28 1x7i s LEU 3 CO 0.59 0.02 0.15 -0.22 -1.32 0.00 0.00 176.35 175.56 1x7i s LEU 4 N 0.22 4.11 -0.16 -0.68 2.96 -1.26 -0.95 118.68 122.92 1x7i s LEU 4 Ca 0.33 -0.57 -0.04 0.00 -0.22 0.00 0.00 54.13 53.63 1x7i s LEU 4 Cb -0.18 -1.99 -0.03 0.00 0.50 0.00 0.00 46.19 44.50 1x7i s LEU 4 CO 0.17 -0.20 -0.04 -0.70 -1.32 0.00 0.00 176.35 174.26 1x7i s GLU 5 N 1.60 3.66 -0.10 1.98 2.12 0.15 -1.10 118.70 127.00 1x7i s GLU 5 Ca 0.04 -0.53 -0.00 0.00 0.36 0.00 0.00 54.97 54.85 1x7i s GLU 5 Cb -0.17 -2.92 -0.03 0.00 0.26 0.00 0.00 34.13 31.27 1x7i s GLU 5 CO 0.06 0.22 -0.08 0.42 -0.54 0.00 0.00 175.26 175.33 1x7i s ILE 6 N 0.43 3.56 -0.19 -3.70 -1.09 -0.42 -1.08 121.20 118.70 1x7i s ILE 6 Ca -0.04 -0.51 -0.24 0.00 -2.23 0.00 0.00 60.65 57.63 1x7i s ILE 6 Cb -0.14 -2.48 -0.02 0.00 -1.58 0.00 0.00 42.46 38.24 1x7i s ILE 6 CO 0.03 0.56 0.78 0.00 -1.23 0.00 0.00 174.94 175.08 1x7i n TYR 9 N 1.83 0.50 -3.60 0.00 4.02 -1.26 -0.34 117.16 118.31 1x7i n TYR 9 Ca -0.17 -0.78 -0.08 0.00 -0.01 0.00 0.00 57.90 56.87 1x7i n TYR 9 Cb 0.53 -0.18 -0.02 0.00 -0.02 0.00 0.00 39.34 39.65 1x7i n TYR 9 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 176.86 174.31 1x7i s SER 10 N -1.83 -0.35 0.16 7.72 1.04 -1.26 -4.72 113.70 114.46 1x7i s SER 10 Ca 0.30 -0.19 -0.11 0.00 0.48 0.00 0.00 55.95 56.43 1x7i s SER 10 Cb 0.24 0.51 0.04 0.00 0.10 0.00 0.00 66.02 66.91 1x7i s SER 10 CO 0.08 -0.88 1.63 -0.03 0.98 0.00 0.00 173.24 175.02 1x7i h MET 11 N 2.00 0.94 -0.41 4.02 4.05 -1.95 -2.48 114.93 121.10 1x7i h MET 11 Ca -0.25 -0.28 -0.02 0.00 -0.28 0.00 0.00 59.70 58.87 1x7i h MET 11 Cb 1.26 -0.09 -0.02 0.00 -0.80 0.00 0.00 31.60 31.94 1x7i h MET 11 CO 0.30 0.94 0.18 0.93 0.23 0.00 0.00 176.91 179.49 1x7i h GLU 12 N 0.82 0.57 -0.33 0.39 5.08 -1.99 -1.07 114.58 118.06 1x7i h GLU 12 Ca 0.16 -0.07 -0.04 0.00 -1.00 0.00 0.00 59.36 58.41 1x7i h GLU 12 Cb 0.49 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.61 1x7i h GLU 12 CO 0.02 0.46 0.03 0.00 -1.00 0.00 0.00 179.01 178.52 1x7i h ALA 14 N 0.87 1.16 -0.03 0.00 0.00 -0.92 0.43 119.26 120.78 1x7i h ALA 14 Ca 0.10 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.97 1x7i h ALA 14 Cb 0.39 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 17.91 1x7i h ALA 14 CO 0.01 0.36 0.00 -0.07 0.00 0.00 0.00 179.25 179.55 1x7i h LEU 15 N 1.05 0.05 -0.91 0.00 3.38 -0.98 -0.43 115.31 117.47 1x7i h LEU 15 Ca 0.36 -0.30 0.04 0.00 0.09 0.00 0.00 57.88 58.07 1x7i h LEU 15 Cb 0.07 -0.01 -0.06 0.00 0.09 0.00 0.00 40.66 40.75 1x7i h LEU 15 CO -0.14 0.33 0.58 0.74 0.09 0.00 0.00 178.44 180.05 1x7i h THR 16 N -0.24 1.14 -0.21 0.22 2.02 -0.55 0.16 112.91 115.45 1x7i h THR 16 Ca 0.01 -0.39 -0.00 0.00 0.77 0.00 0.00 66.41 66.80 1x7i h THR 16 Cb 0.31 -0.09 -0.01 0.00 -1.74 0.00 0.00 68.15 66.62 1x7i h THR 16 CO 0.00 0.21 0.12 0.00 0.37 0.00 0.00 175.52 176.21 1x7i h ALA 17 N 1.38 0.27 -0.00 6.16 0.00 0.02 -2.03 119.26 125.06 1x7i h ALA 17 Ca 0.37 -0.06 0.01 0.00 0.00 0.00 0.00 54.91 55.23 1x7i h ALA 17 Cb 0.03 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 1x7i h ALA 17 CO -0.13 -0.20 -0.06 0.37 0.00 0.00 0.00 179.25 179.23 1x7i h GLN 18 N 0.23 -0.11 0.00 0.00 4.15 -0.28 -0.91 115.11 118.20 1x7i h GLN 18 Ca 0.07 0.01 0.00 0.00 0.77 0.00 0.00 58.65 59.50 1x7i h GLN 18 Cb 0.07 0.02 0.00 0.00 0.21 0.00 0.00 27.48 27.78 1x7i h GLN 18 CO -0.01 -0.07 0.00 1.96 -1.93 0.00 0.00 178.83 178.78 1x7i h GLN 19 N -0.11 0.00 -0.42 1.69 4.20 -0.57 -2.40 115.11 117.50 1x7i h GLN 19 Ca 0.03 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.74 1x7i h GLN 19 Cb 0.14 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.92 1x7i h GLN 19 CO -0.07 0.00 0.00 0.09 -0.67 0.00 0.00 178.83 178.18 1x7i n ASN 20 N -2.85 4.04 0.00 1.46 3.02 -0.78 -4.97 115.26 115.19 1x7i n ASN 20 Ca -0.02 -2.59 0.00 0.00 -0.03 0.00 0.00 54.58 51.94 1x7i n ASN 20 Cb 0.10 -0.48 0.00 0.00 -0.61 0.00 0.00 39.78 38.79 1x7i n ASN 20 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1x7i n GLY 21 N 0.31 0.70 3.77 7.41 0.00 -0.90 -3.15 105.19 113.32 1x7i n GLY 21 Ca 0.21 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.83 1x7i n GLY 21 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1x7i s ALA 22 N -2.00 3.24 -0.13 4.61 0.00 -0.41 -4.90 121.76 122.16 1x7i s ALA 22 Ca 0.00 1.26 0.19 0.00 0.00 0.00 0.00 51.96 53.40 1x7i s ALA 22 Cb 0.00 -3.50 -0.16 0.00 0.00 0.00 0.00 23.12 19.46 1x7i s ALA 22 CO 0.00 -0.89 0.71 -0.25 0.00 0.00 0.00 175.76 175.33 1x7i n ASP 23 N 0.03 0.63 -3.59 0.00 8.00 -0.26 -4.68 116.55 116.68 1x7i n ASP 23 Ca 0.04 0.27 -0.12 0.00 0.71 0.00 0.00 54.79 55.69 1x7i n ASP 23 Cb 0.43 0.57 -0.05 0.00 -0.02 0.00 0.00 41.12 42.06 1x7i n ASP 23 CO 0.00 0.00 0.00 -0.60 -0.39 0.00 0.00 177.20 176.21 1x7i s ARG 24 N -3.02 1.08 -0.02 -1.24 3.52 -0.99 -4.06 118.95 114.22 1x7i s ARG 24 Ca -0.04 -0.51 0.03 0.00 -0.13 0.00 0.00 55.73 55.07 1x7i s ARG 24 Cb 0.09 0.48 0.00 0.00 -1.56 0.00 0.00 34.95 33.97 1x7i s ARG 24 CO 0.82 -0.42 -0.09 0.08 -0.81 0.00 0.00 175.30 174.89 1x7i s VAL 25 N -3.30 0.79 -0.27 7.11 1.01 -0.39 -1.30 120.40 124.05 1x7i s VAL 25 Ca -0.00 -0.37 -0.11 0.00 0.00 0.00 0.00 61.98 61.50 1x7i s VAL 25 Cb 0.00 -0.70 -0.05 0.00 0.00 0.00 0.00 36.38 35.64 1x7i s VAL 25 CO -0.09 0.24 0.17 -0.70 0.00 0.00 0.00 175.10 174.73 1x7i s GLU 26 N 0.15 3.97 -0.25 2.72 2.12 -0.17 -0.38 118.70 126.86 1x7i s GLU 26 Ca -0.02 -0.31 -0.14 0.00 0.36 0.00 0.00 54.97 54.86 1x7i s GLU 26 Cb -0.08 -3.61 -0.04 0.00 0.26 0.00 0.00 34.13 30.66 1x7i s GLU 26 CO 0.00 -0.11 0.31 -1.17 -0.54 0.00 0.00 175.26 173.75 1x7i s LEU 27 N 1.54 4.08 0.30 2.70 0.20 -0.65 -0.36 118.68 126.48 1x7i s LEU 27 Ca 0.07 0.26 0.03 0.00 0.69 0.00 0.00 54.13 55.18 1x7i s LEU 27 Cb -0.15 -2.33 -0.04 0.00 -0.43 0.00 0.00 46.19 43.24 1x7i s LEU 27 CO 0.09 -0.09 0.18 0.00 -0.29 0.00 0.00 176.35 176.24 1x7i s ALA 29 N -3.64 1.89 -0.74 0.00 0.00 -0.28 -4.07 121.76 114.91 1x7i s ALA 29 Ca 0.37 -1.90 -0.01 0.00 0.00 0.00 0.00 51.96 50.42 1x7i s ALA 29 Cb 0.05 0.87 0.00 0.00 0.00 0.00 0.00 23.12 24.04 1x7i s ALA 29 CO 0.19 -0.39 0.68 0.00 0.00 0.00 0.00 175.76 176.23 1x7i n ALA 30 N -0.51 -2.57 0.07 0.00 0.00 -1.26 -0.47 120.51 115.77 1x7i n ALA 30 Ca -0.01 -0.01 0.08 0.00 0.00 0.00 0.00 53.44 53.49 1x7i n ALA 30 Cb 0.66 -1.44 0.52 0.00 0.00 0.00 0.00 19.45 19.19 1x7i n ALA 30 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 1x7i h PRO 31 N 0.39 0.31 0.00 0.00 0.13 -1.94 -0.67 132.00 130.22 1x7i h PRO 31 Ca -0.11 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 65.00 1x7i h PRO 31 Cb 1.07 -0.07 0.00 0.00 0.13 0.00 0.00 31.00 32.13 1x7i h PRO 31 CO 0.31 0.21 0.00 1.63 -0.23 0.00 0.00 178.00 179.92 1x7i n LYS 32 N -4.49 0.05 0.00 0.86 5.02 -1.26 -1.61 118.16 116.73 1x7i n LYS 32 Ca 0.03 0.28 0.10 0.00 -2.02 0.00 0.00 58.31 56.70 1x7i n LYS 32 Cb 0.15 -1.59 0.04 0.00 -0.02 0.00 0.00 35.03 33.62 1x7i n LYS 32 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 1x7i n GLU 33 N -1.68 1.65 -0.69 1.97 -0.58 -0.30 -4.95 120.64 116.06 1x7i n GLU 33 Ca 0.03 -1.32 0.00 0.00 -0.42 0.00 0.00 57.16 55.45 1x7i n GLU 33 Cb 0.19 -1.38 0.00 0.00 -0.57 0.00 0.00 31.44 29.68 1x7i n GLU 33 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1x7i n GLY 34 N 1.20 0.74 0.00 0.62 0.00 -0.63 -4.58 105.19 102.53 1x7i n GLY 34 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.12 1x7i n GLY 34 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1x7i n GLY 35 N -2.39 1.91 3.40 -0.02 0.00 -0.95 -5.00 105.19 102.15 1x7i n GLY 35 Ca 0.00 -1.06 -0.20 0.00 0.00 0.00 0.00 46.02 44.76 1x7i n GLY 35 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1x7i s LEU 36 N 0.00 2.25 0.17 0.99 1.43 0.38 -4.80 118.68 119.09 1x7i s LEU 36 Ca 0.00 -1.28 -0.33 0.00 -1.03 0.00 0.00 54.13 51.49 1x7i s LEU 36 Cb 0.00 -0.40 -0.13 0.00 0.03 0.00 0.00 46.19 45.69 1x7i s LEU 36 CO 0.00 -0.51 1.66 0.41 0.23 0.00 0.00 176.35 178.14 1x7i n THR 37 N -0.56 0.05 -1.76 5.49 -1.04 -0.49 -1.13 114.28 114.85 1x7i n THR 37 Ca -0.04 -0.01 -0.32 0.00 -2.04 0.00 0.00 64.05 61.64 1x7i n THR 37 Cb 0.65 -1.76 0.04 0.00 -1.82 0.00 0.00 70.33 67.43 1x7i n THR 37 CO 0.00 0.00 0.00 -2.84 -0.64 0.00 0.00 175.07 171.59 1x7i s PRO 38 N 1.25 2.93 0.77 -2.82 0.02 -1.26 -4.68 135.00 131.21 1x7i s PRO 38 Ca 0.78 1.22 -0.11 0.00 0.02 0.00 0.00 61.00 62.91 1x7i s PRO 38 Cb -0.60 -1.98 0.05 0.00 0.02 0.00 0.00 34.50 32.00 1x7i s PRO 38 CO 0.36 -1.13 1.08 -1.54 -0.33 0.00 0.00 177.00 175.45 1x7i s SER 39 N -2.98 4.67 0.31 2.53 1.04 -1.26 -4.82 113.70 113.19 1x7i s SER 39 Ca 0.63 1.55 0.02 0.00 0.48 0.00 0.00 55.95 58.63 1x7i s SER 39 Cb -0.17 -2.32 0.56 0.00 0.10 0.00 0.00 66.02 64.19 1x7i s SER 39 CO 0.44 -1.89 1.91 0.25 0.98 0.00 0.00 173.24 174.94 1x7i h LEU 40 N -1.03 0.87 -0.79 2.42 7.12 -1.99 -1.22 115.31 120.70 1x7i h LEU 40 Ca -0.45 0.01 0.01 0.00 0.13 0.00 0.00 57.88 57.58 1x7i h LEU 40 Cb 1.24 -0.18 -0.04 0.00 -0.53 0.00 0.00 40.66 41.15 1x7i h LEU 40 CO 0.56 0.55 0.52 1.23 -0.13 0.00 0.00 178.44 181.18 1x7i h GLY 41 N 0.99 1.12 1.02 3.75 0.00 -1.99 -0.26 103.07 107.69 1x7i h GLY 41 Ca 0.39 -0.41 -0.14 0.00 0.00 0.00 0.00 47.33 47.17 1x7i h GLY 41 CO -0.15 0.40 -0.34 -2.08 0.00 0.00 0.00 176.54 174.37 1x7i h VAL 42 N 1.06 1.29 -0.13 4.60 2.07 -1.71 -1.81 116.25 121.63 1x7i h VAL 42 Ca 0.29 -1.51 0.02 0.00 0.82 0.00 0.00 66.70 66.32 1x7i h VAL 42 Cb -0.11 1.56 -0.02 0.00 -1.52 0.00 0.00 31.29 31.20 1x7i h VAL 42 CO -0.07 0.49 0.02 -0.07 0.02 0.00 0.00 177.57 177.96 1x7i h LEU 43 N 0.53 -0.01 -0.91 2.57 3.38 -0.88 -0.93 115.31 119.06 1x7i h LEU 43 Ca 0.04 0.02 -0.03 0.00 0.09 0.00 0.00 57.88 58.00 1x7i h LEU 43 Cb 0.92 0.04 -0.04 0.00 0.09 0.00 0.00 40.66 41.67 1x7i h LEU 43 CO 0.08 0.01 0.37 0.11 0.09 0.00 0.00 178.44 179.10 1x7i h LYS 44 N 0.07 1.16 -0.72 1.13 1.57 -1.04 -1.56 116.57 117.18 1x7i h LYS 44 Ca 0.06 -0.18 -0.00 0.00 -1.87 0.00 0.00 60.65 58.66 1x7i h LYS 44 Cb 0.06 -0.21 -0.03 0.00 0.08 0.00 0.00 32.23 32.13 1x7i h LYS 44 CO -0.09 0.90 0.45 1.03 -0.57 0.00 0.00 179.45 181.17 1x7i h SER 45 N 1.14 0.85 -0.43 0.86 0.87 -0.86 -1.86 113.55 114.12 1x7i h SER 45 Ca 0.27 -0.05 -0.07 0.00 -1.23 0.00 0.00 61.79 60.71 1x7i h SER 45 Cb 0.14 -0.21 -0.02 0.00 -0.44 0.00 0.00 62.40 61.87 1x7i h SER 45 CO -0.03 0.65 -0.02 0.58 -0.53 0.00 0.00 176.83 177.48 1x7i h VAL 46 N 0.98 1.26 0.00 2.23 2.07 -0.77 -1.87 116.25 120.15 1x7i h VAL 46 Ca 0.26 -1.07 -0.02 0.00 0.82 0.00 0.00 66.70 66.70 1x7i h VAL 46 Cb -0.06 1.09 -0.00 0.00 -1.52 0.00 0.00 31.29 30.80 1x7i h VAL 46 CO -0.05 0.36 -0.09 0.03 0.02 0.00 0.00 177.57 177.85 1x7i h ARG 47 N 0.61 0.00 0.00 1.57 2.47 -0.94 0.14 114.38 118.23 1x7i h ARG 47 Ca 0.12 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.84 1x7i h ARG 47 Cb 0.52 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.84 1x7i h ARG 47 CO 0.03 0.09 -0.75 -0.56 0.56 0.00 0.00 179.97 179.34 1x7i h GLN 48 N 0.00 0.00 0.00 0.04 3.07 -1.04 -3.41 115.11 113.77 1x7i h GLN 48 Ca -0.00 0.00 -0.10 0.00 0.09 0.00 0.00 58.65 58.64 1x7i h GLN 48 Cb 0.16 0.00 -0.02 0.00 0.08 0.00 0.00 27.48 27.70 1x7i h GLN 48 CO 0.01 0.00 -1.41 0.54 0.09 0.00 0.00 178.83 178.06 1x7i n ARG 49 N -2.74 2.74 -3.85 0.06 1.74 -0.73 -5.02 116.66 108.85 1x7i n ARG 49 Ca 0.01 -0.01 -0.36 0.00 -0.77 0.00 0.00 57.85 56.72 1x7i n ARG 49 Cb 0.54 -1.16 -0.07 0.00 -1.02 0.00 0.00 32.46 30.75 1x7i n ARG 49 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1x7i s VAL 50 N -2.18 5.35 -0.19 1.55 1.01 0.45 -4.99 120.40 121.40 1x7i s VAL 50 Ca -0.03 0.16 0.11 0.00 0.00 0.00 0.00 61.98 62.22 1x7i s VAL 50 Cb 0.02 -3.38 -0.19 0.00 0.00 0.00 0.00 36.38 32.83 1x7i s VAL 50 CO 0.26 0.53 -0.02 0.35 0.00 0.00 0.00 175.10 176.21 1x7i n THR 51 N 2.80 1.21 -1.01 3.92 -2.24 -1.26 -4.74 114.28 112.96 1x7i n THR 51 Ca -0.18 -0.65 -0.30 0.00 -2.27 0.00 0.00 64.05 60.65 1x7i n THR 51 Cb 0.53 -0.78 0.15 0.00 -2.10 0.00 0.00 70.33 68.13 1x7i n THR 51 CO 0.00 0.00 0.00 0.27 -0.57 0.00 0.00 175.07 174.77 1x7i s ILE 52 N -2.43 2.58 0.25 2.28 -4.36 -1.26 -4.89 121.20 113.37 1x7i s ILE 52 Ca -0.15 0.19 -0.31 0.00 -0.26 0.00 0.00 60.65 60.11 1x7i s ILE 52 Cb 0.06 -2.51 -0.12 0.00 1.25 0.00 0.00 42.46 41.14 1x7i s ILE 52 CO 0.64 -0.25 1.67 -2.65 0.24 0.00 0.00 174.94 174.59 1x7i n PRO 53 N -4.03 2.75 -4.95 0.37 -0.02 -1.26 -4.88 135.00 122.98 1x7i n PRO 53 Ca 0.08 0.98 -0.29 0.00 -2.02 0.00 0.00 63.50 62.26 1x7i n PRO 53 Cb 0.54 -2.80 -0.17 0.00 -0.02 0.00 0.00 33.50 31.05 1x7i n PRO 53 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1x7i s VAL 54 N 0.65 1.69 -0.33 -1.45 1.01 -1.26 -1.26 120.40 119.44 1x7i s VAL 54 Ca 0.70 -0.80 0.03 0.00 0.00 0.00 0.00 61.98 61.91 1x7i s VAL 54 Cb -0.50 -1.48 0.09 0.00 0.00 0.00 0.00 36.38 34.49 1x7i s VAL 54 CO 0.39 0.48 0.04 -1.00 0.00 0.00 0.00 175.10 175.02 1x7i s HIS 55 N 0.48 3.63 0.42 5.22 3.76 0.49 -4.04 115.29 125.25 1x7i s HIS 55 Ca -0.17 -2.75 -0.24 0.00 -0.15 0.00 0.00 55.06 51.75 1x7i s HIS 55 Cb -0.17 -2.77 -0.08 0.00 1.11 0.00 0.00 32.58 30.67 1x7i s HIS 55 CO 0.07 -0.93 1.15 -2.14 -0.85 0.00 0.00 174.74 172.04 1x7i s PRO 56 N 0.99 3.99 0.31 8.40 0.02 -1.25 -1.64 135.00 145.81 1x7i s PRO 56 Ca 0.06 1.78 -0.23 0.00 0.02 0.00 0.00 61.00 62.63 1x7i s PRO 56 Cb -0.20 -2.58 -0.10 0.00 0.02 0.00 0.00 34.50 31.64 1x7i s PRO 56 CO -0.07 -0.36 0.87 -1.50 -0.33 0.00 0.00 177.00 175.61 1x7i s ILE 57 N -1.48 4.37 -0.38 2.83 2.07 -0.08 -1.05 121.20 127.47 1x7i s ILE 57 Ca 0.59 1.57 0.03 0.00 -1.41 0.00 0.00 60.65 61.43 1x7i s ILE 57 Cb -0.29 -3.89 0.11 0.00 0.13 0.00 0.00 42.46 38.52 1x7i s ILE 57 CO 0.36 0.08 0.12 -0.63 -1.91 0.00 0.00 174.94 172.95 1x7i s ILE 58 N -1.69 2.55 -0.26 2.00 -1.09 0.15 -3.94 121.20 118.91 1x7i s ILE 58 Ca 0.50 -2.44 -0.03 0.00 -2.23 0.00 0.00 60.65 56.46 1x7i s ILE 58 Cb -0.16 -2.83 0.15 0.00 -1.58 0.00 0.00 42.46 38.03 1x7i s ILE 58 CO 0.21 -0.65 0.45 -0.60 -1.23 0.00 0.00 174.94 173.12 1x7i s ARG 59 N 0.76 0.42 0.43 2.79 3.52 -1.26 -4.58 118.95 121.03 1x7i s ARG 59 Ca 0.11 0.71 0.23 0.00 -0.13 0.00 0.00 55.73 56.66 1x7i s ARG 59 Cb -0.21 -0.11 0.82 0.00 -1.56 0.00 0.00 34.95 33.89 1x7i s ARG 59 CO -0.06 -0.61 1.78 -1.00 -0.81 0.00 0.00 175.30 174.60 1x7i h PRO 60 N 8.13 0.00 -3.30 5.12 0.13 -1.92 -1.29 132.00 138.86 1x7i h PRO 60 Ca -0.20 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.91 1x7i h PRO 60 Cb 1.15 0.00 -0.09 0.00 0.13 0.00 0.00 31.00 32.19 1x7i h PRO 60 CO 0.26 0.23 0.04 -0.98 -0.23 0.00 0.00 178.00 177.32 1x7i s ARG 61 N -3.56 1.45 0.03 0.86 1.70 -1.26 -4.91 118.95 113.27 1x7i s ARG 61 Ca 0.01 -0.92 -0.01 0.00 -0.47 0.00 0.00 55.73 54.35 1x7i s ARG 61 Cb 0.10 0.53 0.01 0.00 -0.57 0.00 0.00 34.95 35.01 1x7i s ARG 61 CO 0.64 -0.62 0.05 0.41 -1.08 0.00 0.00 175.30 174.70 1x7i n GLY 62 N -0.36 -0.99 5.15 3.88 0.00 -1.26 -4.91 105.19 106.69 1x7i n GLY 62 Ca -0.08 -1.69 0.00 0.00 0.00 0.00 0.00 46.02 44.24 1x7i n GLY 62 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1x7i n GLY 63 N 4.69 -0.07 3.69 -0.02 0.00 -1.26 -4.94 105.19 107.28 1x7i n GLY 63 Ca 0.01 -1.25 -0.30 0.00 0.00 0.00 0.00 46.02 44.47 1x7i n GLY 63 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1x7i s ASP 64 N -4.00 1.61 -0.24 1.61 1.47 -1.26 -4.99 116.67 110.87 1x7i s ASP 64 Ca 0.00 0.55 0.12 0.00 1.18 0.00 0.00 52.55 54.41 1x7i s ASP 64 Cb 0.00 -0.76 0.50 0.00 -0.34 0.00 0.00 42.92 42.32 1x7i s ASP 64 CO 0.00 -3.69 1.42 0.49 0.68 0.00 0.00 175.17 174.07 1x7i n PHE 65 N -4.46 0.94 -3.32 2.11 3.01 -1.26 -4.80 117.46 109.68 1x7i n PHE 65 Ca 0.13 -1.30 -0.41 0.00 1.01 0.00 0.00 57.45 56.89 1x7i n PHE 65 Cb 0.59 -0.40 -0.02 0.00 -0.01 0.00 0.00 39.48 39.65 1x7i n PHE 65 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1x7i s TYR 67 N -1.87 2.53 0.94 0.00 1.51 -1.26 -5.05 117.35 114.16 1x7i s TYR 67 Ca 0.31 1.55 -0.14 0.00 -1.01 0.00 0.00 57.07 57.78 1x7i s TYR 67 Cb -0.03 -3.27 0.16 0.00 -0.11 0.00 0.00 41.96 38.71 1x7i s TYR 67 CO -0.03 -1.83 1.18 -1.54 -1.11 0.00 0.00 175.55 172.22 1x7i s SER 68 N -2.19 3.25 0.23 2.29 1.04 -1.26 -4.82 113.70 112.24 1x7i s SER 68 Ca 0.71 0.73 -0.04 0.00 0.48 0.00 0.00 55.95 57.82 1x7i s SER 68 Cb -0.23 -1.12 0.22 0.00 0.10 0.00 0.00 66.02 64.98 1x7i s SER 68 CO 0.37 -2.69 1.67 0.44 0.98 0.00 0.00 173.24 174.01 1x7i h ASP 69 N -1.60 0.80 -0.36 7.02 3.32 -1.99 -1.05 116.42 122.56 1x7i h ASP 69 Ca -0.48 -0.25 -0.02 0.00 0.02 0.00 0.00 57.03 56.30 1x7i h ASP 69 Cb 1.30 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 40.62 1x7i h ASP 69 CO 0.54 0.95 0.16 1.23 -1.72 0.00 0.00 179.24 180.39 1x7i h GLY 70 N 0.97 0.58 1.40 2.75 0.00 -2.00 -1.15 103.07 105.61 1x7i h GLY 70 Ca 0.12 -0.30 -0.07 0.00 0.00 0.00 0.00 47.33 47.08 1x7i h GLY 70 CO 0.04 0.29 0.01 0.83 0.00 0.00 0.00 176.54 177.71 1x7i h GLU 71 N 0.45 0.74 -0.38 4.80 5.08 -1.88 -2.62 114.58 120.77 1x7i h GLU 71 Ca 0.12 -0.19 -0.11 0.00 -1.00 0.00 0.00 59.36 58.19 1x7i h GLU 71 Cb 0.16 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.30 1x7i h GLU 71 CO -0.01 0.75 -0.20 0.35 -1.00 0.00 0.00 179.01 178.89 1x7i h PHE 72 N 0.70 0.84 -0.59 4.33 3.57 -0.88 -0.84 116.94 124.06 1x7i h PHE 72 Ca 0.14 -0.18 0.02 0.00 3.53 0.00 0.00 57.97 61.48 1x7i h PHE 72 Cb 0.42 -0.20 -0.04 0.00 2.79 0.00 0.00 35.95 38.92 1x7i h PHE 72 CO 0.02 0.89 0.37 0.00 -2.23 0.00 0.00 178.31 177.35 1x7i h ALA 73 N 1.11 0.76 -0.45 2.41 0.00 -0.86 -0.15 119.26 122.07 1x7i h ALA 73 Ca 0.10 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.96 1x7i h ALA 73 Cb 0.70 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.28 1x7i h ALA 73 CO 0.05 0.11 0.19 0.00 0.00 0.00 0.00 179.25 179.60 1x7i h ALA 74 N 1.25 0.59 -0.43 0.00 0.00 -1.15 -2.38 119.26 117.14 1x7i h ALA 74 Ca 0.23 -0.14 0.06 0.00 0.00 0.00 0.00 54.91 55.06 1x7i h ALA 74 Cb -0.00 -0.18 -0.05 0.00 0.00 0.00 0.00 17.79 17.56 1x7i h ALA 74 CO -0.09 0.18 0.13 0.82 0.00 0.00 0.00 179.25 180.30 1x7i h ILE 75 N 0.59 0.83 -0.72 0.00 2.04 -0.40 0.66 117.51 120.52 1x7i h ILE 75 Ca 0.15 -0.10 -0.03 0.00 1.00 0.00 0.00 64.86 65.89 1x7i h ILE 75 Cb 0.18 0.52 -0.03 0.00 -0.74 0.00 0.00 36.82 36.74 1x7i h ILE 75 CO -0.01 0.05 0.33 -0.07 0.00 0.00 0.00 178.15 178.45 1x7i h LEU 76 N 0.29 0.93 -0.67 1.44 3.38 -0.84 -0.42 115.31 119.42 1x7i h LEU 76 Ca 0.21 -0.11 -0.14 0.00 0.09 0.00 0.00 57.88 57.93 1x7i h LEU 76 Cb 0.22 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.72 1x7i h LEU 76 CO -0.23 0.80 -0.54 -0.08 0.09 0.00 0.00 178.44 178.48 1x7i h GLU 77 N 1.02 0.36 -0.13 1.13 4.57 -0.85 -1.65 114.58 119.02 1x7i h GLU 77 Ca 0.25 -0.22 -0.12 0.00 -1.18 0.00 0.00 59.36 58.09 1x7i h GLU 77 Cb 0.12 0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 28.72 1x7i h GLU 77 CO -0.03 0.80 -0.45 -0.44 -1.18 0.00 0.00 179.01 177.71 1x7i h ASP 78 N 0.28 0.34 -0.26 1.04 3.32 -0.36 0.45 116.42 121.23 1x7i h ASP 78 Ca 0.01 -0.16 -0.04 0.00 0.02 0.00 0.00 57.03 56.86 1x7i h ASP 78 Cb 1.03 -0.10 -0.01 0.00 0.22 0.00 0.00 39.33 40.48 1x7i h ASP 78 CO 0.09 0.75 0.00 0.58 -1.72 0.00 0.00 179.24 178.95 1x7i h VAL 79 N 0.26 1.25 -0.89 -1.35 2.07 -0.81 -1.26 116.25 115.53 1x7i h VAL 79 Ca 0.02 -0.90 -0.01 0.00 0.82 0.00 0.00 66.70 66.63 1x7i h VAL 79 Cb 0.90 1.33 -0.04 0.00 -1.52 0.00 0.00 31.29 31.96 1x7i h VAL 79 CO 0.07 0.28 0.53 0.03 0.02 0.00 0.00 177.57 178.51 1x7i h ARG 80 N 0.24 1.21 -0.06 1.57 -0.00 -1.06 -1.74 114.38 114.53 1x7i h ARG 80 Ca 0.07 -0.11 -0.00 0.00 -0.50 0.00 0.00 59.98 59.44 1x7i h ARG 80 Cb 0.41 -0.25 -0.00 0.00 0.00 0.00 0.00 29.97 30.12 1x7i h ARG 80 CO 0.01 0.85 0.03 1.15 0.00 0.00 0.00 179.97 182.01 1x7i h THR 81 N 1.22 1.09 -0.54 2.04 2.02 -0.61 -0.12 112.91 118.02 1x7i h THR 81 Ca 0.32 -0.26 -0.05 0.00 0.77 0.00 0.00 66.41 67.19 1x7i h THR 81 Cb -0.05 1.16 -0.02 0.00 -1.74 0.00 0.00 68.15 67.50 1x7i h THR 81 CO -0.06 0.08 0.14 0.58 0.37 0.00 0.00 175.52 176.62 1x7i h VAL 82 N -0.01 1.22 -0.17 3.16 2.07 -1.04 -1.21 116.25 120.27 1x7i h VAL 82 Ca 0.02 -0.79 -0.03 0.00 0.82 0.00 0.00 66.70 66.71 1x7i h VAL 82 Cb 0.10 0.66 -0.01 0.00 -1.52 0.00 0.00 31.29 30.52 1x7i h VAL 82 CO -0.00 0.30 -0.03 -0.09 0.02 0.00 0.00 177.57 177.77 1x7i h ARG 83 N 0.79 0.33 -0.12 1.57 2.43 -1.16 -2.54 114.38 115.68 1x7i h ARG 83 Ca 0.18 -0.12 -0.03 0.00 -0.81 0.00 0.00 59.98 59.20 1x7i h ARG 83 Cb 0.28 -0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 29.80 1x7i h ARG 83 CO -0.00 0.57 -0.07 0.93 -1.51 0.00 0.00 179.97 179.89 1x7i h GLU 84 N 0.05 0.17 0.00 0.20 3.07 -0.70 -1.59 114.58 115.78 1x7i h GLU 84 Ca 0.05 -0.03 0.00 0.00 -0.50 0.00 0.00 59.36 58.88 1x7i h GLU 84 Cb 0.44 -0.03 0.00 0.00 -0.84 0.00 0.00 28.75 28.32 1x7i h GLU 84 CO 0.01 0.26 0.00 1.28 -1.40 0.00 0.00 179.01 179.16 1x7i n LEU 85 N -4.36 0.00 0.00 1.33 4.77 -0.48 -4.93 117.00 113.32 1x7i n LEU 85 Ca -0.01 0.43 0.00 0.00 -0.03 0.00 0.00 56.01 56.40 1x7i n LEU 85 Cb 0.20 -0.43 0.00 0.00 -2.33 0.00 0.00 43.42 40.86 1x7i n LEU 85 CO 0.36 -0.04 0.00 0.61 -1.33 0.00 0.00 177.39 176.99 1x7i n GLY 86 N 1.15 0.79 3.76 -0.72 0.00 -0.60 -5.01 105.19 104.56 1x7i n GLY 86 Ca 0.08 -0.03 -0.38 0.00 0.00 0.00 0.00 46.02 45.69 1x7i n GLY 86 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1x7i s PHE 87 N -2.00 2.60 -0.68 1.61 0.40 -0.97 -4.90 117.98 114.04 1x7i s PHE 87 Ca 0.00 1.44 0.25 0.00 -0.60 0.00 0.00 56.93 58.02 1x7i s PHE 87 Cb 0.00 -3.63 0.88 0.00 0.51 0.00 0.00 43.02 40.78 1x7i s PHE 87 CO 0.00 -2.24 1.76 -0.35 0.70 0.00 0.00 175.22 175.09 1x7i n PRO 88 N -0.60 0.22 -3.42 0.24 -0.04 -1.26 -4.77 135.00 125.38 1x7i n PRO 88 Ca 0.08 0.26 -0.04 0.00 -0.04 0.00 0.00 63.50 63.76 1x7i n PRO 88 Cb 0.46 -1.80 0.02 0.00 -0.04 0.00 0.00 33.50 32.13 1x7i n PRO 88 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1x7i n GLY 89 N 0.93 0.86 3.57 0.55 0.00 -1.26 -1.36 105.19 108.47 1x7i n GLY 89 Ca 0.05 -1.15 -0.09 0.00 0.00 0.00 0.00 46.02 44.83 1x7i n GLY 89 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 1x7i s LEU 90 N 0.00 0.05 -0.09 0.99 0.05 -0.82 -3.84 118.68 115.03 1x7i s LEU 90 Ca 0.17 -0.54 0.03 0.00 0.05 0.00 0.00 54.13 53.84 1x7i s LEU 90 Cb -0.03 2.18 0.01 0.00 -2.05 0.00 0.00 46.19 46.30 1x7i s LEU 90 CO 0.06 -1.10 -0.16 -0.69 -0.55 0.00 0.00 176.35 173.91 1x7i s VAL 91 N -3.89 1.50 0.16 1.48 1.01 -0.22 -0.64 120.40 119.80 1x7i s VAL 91 Ca 0.11 -0.68 -0.09 0.00 0.00 0.00 0.00 61.98 61.32 1x7i s VAL 91 Cb -0.02 -1.34 0.03 0.00 0.00 0.00 0.00 36.38 35.06 1x7i s VAL 91 CO -0.00 0.44 0.45 1.07 0.00 0.00 0.00 175.10 177.05 1x7i n THR 92 N 3.80 0.00 0.00 3.92 5.66 -0.50 0.29 114.28 127.45 1x7i n THR 92 Ca -0.21 -0.41 0.00 0.00 -3.05 0.00 0.00 64.05 60.38 1x7i n THR 92 Cb 0.52 0.46 0.00 0.00 -1.55 0.00 0.00 70.33 69.76 1x7i n THR 92 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1x7i n GLY 93 N -0.31 2.21 2.91 1.09 0.00 -1.26 -1.91 105.19 107.91 1x7i n GLY 93 Ca -0.03 0.04 -0.19 0.00 0.00 0.00 0.00 46.02 45.83 1x7i n GLY 93 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1x7i s VAL 94 N -0.72 0.53 0.22 1.61 1.01 -1.26 -4.88 120.40 116.91 1x7i s VAL 94 Ca 0.00 -0.15 0.11 0.00 0.00 0.00 0.00 61.98 61.95 1x7i s VAL 94 Cb 0.00 -0.54 -0.05 0.00 0.00 0.00 0.00 36.38 35.80 1x7i s VAL 94 CO 0.00 0.21 -0.21 -0.76 0.00 0.00 0.00 175.10 174.34 1x7i s LEU 95 N 0.73 2.50 0.65 3.92 1.43 -0.57 -1.47 118.68 125.87 1x7i s LEU 95 Ca -0.10 -0.94 0.01 0.00 -1.03 0.00 0.00 54.13 52.08 1x7i s LEU 95 Cb -0.13 -1.09 0.09 0.00 0.03 0.00 0.00 46.19 45.10 1x7i s LEU 95 CO 0.00 0.06 0.91 1.51 0.23 0.00 0.00 176.35 179.06 1x7i s ASP 96 N -3.02 4.70 0.45 2.29 3.84 -0.01 -3.98 116.67 120.95 1x7i s ASP 96 Ca 0.24 -0.31 0.31 0.00 -0.00 0.00 0.00 52.55 52.78 1x7i s ASP 96 Cb -0.06 -0.24 1.54 0.00 -1.38 0.00 0.00 42.92 42.78 1x7i s ASP 96 CO 0.11 -1.59 1.93 -0.37 -0.00 0.00 0.00 175.17 175.25 1x7i h VAL 97 N -0.27 0.00 -0.59 2.11 -1.51 -1.99 -2.95 116.25 111.05 1x7i h VAL 97 Ca -0.37 -0.13 0.00 0.00 -1.23 0.00 0.00 66.70 64.97 1x7i h VAL 97 Cb 1.28 0.90 0.00 0.00 -2.13 0.00 0.00 31.29 31.33 1x7i h VAL 97 CO 0.44 0.00 0.00 0.47 -1.23 0.00 0.00 177.57 177.25 1x7i n ASP 98 N -2.63 5.45 -0.94 4.19 10.43 -1.26 -4.92 116.55 126.87 1x7i n ASP 98 Ca -0.01 -2.80 -0.07 0.00 2.57 0.00 0.00 54.79 54.48 1x7i n ASP 98 Cb 0.13 -0.66 0.00 0.00 1.84 0.00 0.00 41.12 42.43 1x7i n ASP 98 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 1x7i n GLY 99 N 0.75 0.18 3.47 0.44 0.00 -1.11 -4.67 105.19 104.25 1x7i n GLY 99 Ca 0.27 -0.55 -0.27 0.00 0.00 0.00 0.00 46.02 45.46 1x7i n GLY 99 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1x7i s ASN 100 N -2.79 3.68 0.23 1.61 0.01 -1.26 -1.39 114.94 115.04 1x7i s ASN 100 Ca 0.04 -0.75 -0.30 0.00 -0.71 0.00 0.00 52.86 51.15 1x7i s ASN 100 Cb -0.02 -0.40 -0.10 0.00 0.41 0.00 0.00 41.25 41.14 1x7i s ASN 100 CO 0.05 0.13 1.39 -0.69 -1.51 0.00 0.00 177.10 176.48 1x7i s VAL 101 N -1.56 2.84 -0.90 1.60 1.01 -1.26 -0.83 120.40 121.30 1x7i s VAL 101 Ca 0.21 0.71 -0.25 0.00 0.00 0.00 0.00 61.98 62.65 1x7i s VAL 101 Cb -0.09 -3.45 0.04 0.00 0.00 0.00 0.00 36.38 32.88 1x7i s VAL 101 CO 0.11 0.11 1.41 -0.62 0.00 0.00 0.00 175.10 176.11 1x7i s ASP 102 N 0.34 6.29 0.10 3.32 -1.08 -0.54 -4.70 116.67 120.39 1x7i s ASP 102 Ca 0.58 -0.99 -0.20 0.00 -0.52 0.00 0.00 52.55 51.43 1x7i s ASP 102 Cb -0.40 -2.56 -0.08 0.00 -1.46 0.00 0.00 42.92 38.42 1x7i s ASP 102 CO 0.42 -1.70 1.66 0.24 0.52 0.00 0.00 175.17 176.30 1x7i h MET 103 N 10.07 0.32 -0.51 4.34 2.86 -1.90 -0.41 114.93 129.71 1x7i h MET 103 Ca -0.00 -0.05 0.03 0.00 -2.06 0.00 0.00 59.70 57.61 1x7i h MET 103 Cb 1.03 -0.05 -0.03 0.00 0.06 0.00 0.00 31.60 32.60 1x7i h MET 103 CO 1.36 0.35 0.30 -1.35 1.06 0.00 0.00 176.91 178.63 1x7i h PRO 104 N 0.21 0.57 -0.09 -0.22 0.11 -2.00 0.54 132.00 131.13 1x7i h PRO 104 Ca 0.07 -0.03 -0.18 0.00 0.11 0.00 0.00 66.00 65.97 1x7i h PRO 104 Cb 0.15 -0.13 -0.00 0.00 0.11 0.00 0.00 31.00 31.12 1x7i h PRO 104 CO -0.01 0.38 -0.72 0.00 -0.21 0.00 0.00 178.00 177.44 1x7i h ARG 105 N 0.59 0.43 -0.08 1.05 3.08 -1.97 -2.73 114.38 114.74 1x7i h ARG 105 Ca 0.21 -0.35 -0.07 0.00 0.07 0.00 0.00 59.98 59.84 1x7i h ARG 105 Cb 0.04 0.07 -0.01 0.00 0.08 0.00 0.00 29.97 30.14 1x7i h ARG 105 CO -0.10 0.98 -0.28 0.52 -1.07 0.00 0.00 179.97 180.02 1x7i h MET 106 N 0.29 0.15 -0.60 0.04 2.86 -0.80 -2.07 114.93 114.81 1x7i h MET 106 Ca -0.03 -0.05 -0.07 0.00 -2.06 0.00 0.00 59.70 57.49 1x7i h MET 106 Cb 1.30 -0.01 -0.03 0.00 0.06 0.00 0.00 31.60 32.92 1x7i h MET 106 CO 0.13 0.42 0.10 1.49 1.06 0.00 0.00 176.91 180.11 1x7i h GLU 107 N 0.14 0.97 -0.33 1.72 4.22 -0.66 -0.16 114.58 120.47 1x7i h GLU 107 Ca 0.02 -0.24 -0.10 0.00 0.08 0.00 0.00 59.36 59.12 1x7i h GLU 107 Cb 0.56 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.68 1x7i h GLU 107 CO 0.04 0.89 -0.21 0.87 -2.18 0.00 0.00 179.01 178.42 1x7i h LYS 108 N 0.91 0.62 -0.35 1.92 1.57 -1.13 -0.85 116.57 119.27 1x7i h LYS 108 Ca 0.19 -0.23 -0.08 0.00 -1.87 0.00 0.00 60.65 58.66 1x7i h LYS 108 Cb 0.39 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.65 1x7i h LYS 108 CO 0.01 0.79 -0.08 0.82 -0.57 0.00 0.00 179.45 180.42 1x7i h ILE 109 N 0.55 1.28 -0.81 1.86 2.04 -0.84 -1.86 117.51 119.73 1x7i h ILE 109 Ca 0.08 -1.13 -0.03 0.00 1.00 0.00 0.00 64.86 64.79 1x7i h ILE 109 Cb 0.66 1.31 -0.04 0.00 -0.74 0.00 0.00 36.82 38.01 1x7i h ILE 109 CO 0.05 0.37 0.40 0.24 0.00 0.00 0.00 178.15 179.21 1x7i h MET 110 N 0.45 1.15 -0.57 2.37 2.86 -0.75 0.15 114.93 120.59 1x7i h MET 110 Ca 0.09 -0.15 -0.03 0.00 -2.06 0.00 0.00 59.70 57.55 1x7i h MET 110 Cb 0.58 -0.21 -0.03 0.00 0.06 0.00 0.00 31.60 32.00 1x7i h MET 110 CO 0.03 0.87 0.25 0.00 1.06 0.00 0.00 176.91 179.13 1x7i h ALA 111 N 1.30 0.73 -0.07 6.32 0.00 -1.00 -2.44 119.26 124.10 1x7i h ALA 111 Ca 0.28 -0.14 -0.13 0.00 0.00 0.00 0.00 54.91 54.92 1x7i h ALA 111 Cb 0.09 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 1x7i h ALA 111 CO -0.04 0.32 -0.52 0.00 0.00 0.00 0.00 179.25 179.01 1x7i h ALA 112 N 1.09 0.99 0.00 0.00 0.00 -0.77 -3.07 119.26 117.50 1x7i h ALA 112 Ca 0.19 -0.48 -0.05 0.00 0.00 0.00 0.00 54.91 54.57 1x7i h ALA 112 Cb 0.15 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 1x7i h ALA 112 CO -0.02 0.67 -0.25 0.00 0.00 0.00 0.00 179.25 179.65 1x7i h ALA 113 N 1.31 1.16 -0.90 0.00 0.00 -0.31 -3.41 119.26 117.10 1x7i h ALA 113 Ca 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.69 1x7i h ALA 113 Cb 0.97 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.72 1x7i h ALA 113 CO 0.08 0.31 0.00 0.41 0.00 0.00 0.00 179.25 180.05 1x7i n GLY 114 N -0.22 4.00 0.00 0.00 0.00 -0.96 -2.02 105.19 106.00 1x7i n GLY 114 Ca -0.01 0.10 0.14 0.00 0.00 0.00 0.00 46.02 46.25 1x7i n GLY 114 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1x7i n PRO 115 N 14.00 0.11 -1.90 1.61 -0.04 -1.26 -4.90 135.00 142.62 1x7i n PRO 115 Ca 0.00 0.01 -0.40 0.00 -0.04 0.00 0.00 63.50 63.07 1x7i n PRO 115 Cb 0.00 -1.50 0.01 0.00 -0.04 0.00 0.00 33.50 31.97 1x7i n PRO 115 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1x7i s LEU 116 N -2.89 4.15 -0.36 1.53 1.43 -0.86 -4.94 118.68 116.74 1x7i s LEU 116 Ca 0.17 2.82 -0.27 0.00 -1.03 0.00 0.00 54.13 55.82 1x7i s LEU 116 Cb 0.19 -3.93 0.02 0.00 0.03 0.00 0.00 46.19 42.50 1x7i s LEU 116 CO 0.50 -1.06 1.01 0.00 0.23 0.00 0.00 176.35 177.04 1x7i s ALA 117 N -1.23 3.41 -0.16 4.21 0.00 -0.47 -4.90 121.76 122.62 1x7i s ALA 117 Ca 0.59 -0.31 -0.14 0.00 0.00 0.00 0.00 51.96 52.11 1x7i s ALA 117 Cb -0.41 -3.63 -0.05 0.00 0.00 0.00 0.00 23.12 19.02 1x7i s ALA 117 CO 0.53 -1.65 0.29 0.08 0.00 0.00 0.00 175.76 175.02 1x7i s VAL 118 N 3.67 5.31 -0.20 0.00 1.01 -1.26 -1.94 120.40 126.99 1x7i s VAL 118 Ca 0.42 0.54 -0.09 0.00 0.00 0.00 0.00 61.98 62.85 1x7i s VAL 118 Cb -0.11 -3.63 -0.04 0.00 0.00 0.00 0.00 36.38 32.59 1x7i s VAL 118 CO 0.19 0.38 0.10 -0.89 0.00 0.00 0.00 175.10 174.88 1x7i s THR 119 N 0.51 5.03 -0.21 3.92 2.01 0.19 -1.37 115.64 125.72 1x7i s THR 119 Ca 0.16 0.06 -0.19 0.00 0.31 0.00 0.00 61.69 62.03 1x7i s THR 119 Cb -0.13 -3.29 -0.03 0.00 0.01 0.00 0.00 72.50 69.06 1x7i s THR 119 CO 0.04 0.44 0.55 0.12 -0.69 0.00 0.00 174.62 175.07 1x7i s PHE 120 N 0.50 3.35 0.00 4.92 5.36 -0.30 -1.41 117.98 130.39 1x7i s PHE 120 Ca 0.05 0.79 0.00 0.00 -0.96 0.00 0.00 56.93 56.81 1x7i s PHE 120 Cb -0.12 -2.72 0.00 0.00 -0.34 0.00 0.00 43.02 39.84 1x7i s PHE 120 CO 0.00 -0.16 0.00 -2.39 -1.46 0.00 0.00 175.22 171.21 1x7i n HIS 121 N 5.04 -1.50 0.20 10.12 1.44 -0.80 -1.02 115.22 128.70 1x7i n HIS 121 Ca -0.04 0.00 0.01 0.00 -2.01 0.00 0.00 57.72 55.68 1x7i n HIS 121 Cb 0.50 0.00 0.04 0.00 0.12 0.00 0.00 29.99 30.65 1x7i n HIS 121 CO 0.00 0.00 0.00 0.54 -2.81 0.00 0.00 176.34 174.07 1x7i n ARG 122 N -0.38 0.10 0.28 -1.40 1.74 -1.22 -1.30 116.66 114.49 1x7i n ARG 122 Ca 0.00 0.00 0.15 0.00 -0.77 0.00 0.00 57.85 57.23 1x7i n ARG 122 Cb 0.00 -1.22 0.84 0.00 -1.02 0.00 0.00 32.46 31.06 1x7i n ARG 122 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1x7i h ALA 123 N 1.63 1.30 -0.99 7.54 0.00 -1.89 -0.70 119.26 126.15 1x7i h ALA 123 Ca 0.00 -0.06 0.09 0.00 0.00 0.00 0.00 54.91 54.94 1x7i h ALA 123 Cb 0.00 -0.01 -0.07 0.00 0.00 0.00 0.00 17.79 17.71 1x7i h ALA 123 CO 0.00 0.08 0.63 0.35 0.00 0.00 0.00 179.25 180.31 1x7i h PHE 124 N 0.00 1.16 0.00 0.00 3.57 -1.47 -0.94 116.94 119.26 1x7i h PHE 124 Ca -0.00 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.53 1x7i h PHE 124 Cb 0.21 -0.37 0.00 0.00 2.79 0.00 0.00 35.95 38.58 1x7i h PHE 124 CO 0.00 0.55 0.00 -0.25 -2.23 0.00 0.00 178.31 176.38 1x7i n ASP 125 N -4.56 0.00 -0.58 0.41 8.00 -0.27 -1.75 116.55 117.81 1x7i n ASP 125 Ca 0.16 -0.08 0.09 0.00 0.71 0.00 0.00 54.79 55.68 1x7i n ASP 125 Cb 0.25 -0.22 0.03 0.00 -0.02 0.00 0.00 41.12 41.15 1x7i n ASP 125 CO 0.00 0.00 0.00 0.23 -0.39 0.00 0.00 177.20 177.04 1x7i n MET 126 N -1.22 1.60 -2.64 -1.24 2.81 -0.36 -4.77 117.12 111.30 1x7i n MET 126 Ca 0.09 -1.22 -0.37 0.00 -1.81 0.00 0.00 57.70 54.39 1x7i n MET 126 Cb 0.12 -1.37 -0.05 0.00 -0.71 0.00 0.00 33.22 31.21 1x7i n MET 126 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1x7i h ALA 128 N 2.95 0.74 -3.57 0.00 0.00 -1.50 -3.40 119.26 114.48 1x7i h ALA 128 Ca -0.47 -0.25 -0.63 0.00 0.00 0.00 0.00 54.91 53.56 1x7i h ALA 128 Cb 1.20 -0.21 -0.39 0.00 0.00 0.00 0.00 17.79 18.39 1x7i h ALA 128 CO 0.64 0.48 -0.75 1.21 0.00 0.00 0.00 179.25 180.82 1x7i s ASN 129 N -6.31 4.31 0.32 0.00 3.84 -1.26 -5.01 114.94 110.83 1x7i s ASN 129 Ca -0.12 -1.69 0.01 0.00 0.21 0.00 0.00 52.86 51.27 1x7i s ASN 129 Cb 0.12 -1.32 0.57 0.00 -0.55 0.00 0.00 41.25 40.07 1x7i s ASN 129 CO 0.82 -0.33 1.95 1.55 -2.79 0.00 0.00 177.10 178.30 1x7i h PRO 130 N 7.83 0.94 -0.14 0.43 0.13 -1.92 -0.42 132.00 138.86 1x7i h PRO 130 Ca -0.11 -0.06 -0.06 0.00 -0.87 0.00 0.00 66.00 64.89 1x7i h PRO 130 Cb 1.04 -0.21 -0.00 0.00 0.13 0.00 0.00 31.00 31.95 1x7i h PRO 130 CO 0.47 0.62 -0.16 -0.07 -0.23 0.00 0.00 178.00 178.64 1x7i h LEU 131 N 0.97 0.39 -1.33 1.56 3.38 -1.98 -0.65 115.31 117.65 1x7i h LEU 131 Ca 0.33 -0.49 -0.05 0.00 0.09 0.00 0.00 57.88 57.75 1x7i h LEU 131 Cb 0.08 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.71 1x7i h LEU 131 CO -0.10 0.80 -0.10 1.88 0.09 0.00 0.00 178.44 181.01 1x7i h TYR 132 N -0.02 0.34 -0.41 1.13 0.99 -1.96 -1.59 116.97 115.45 1x7i h TYR 132 Ca 0.02 -0.04 -0.11 0.00 2.00 0.00 0.00 58.73 60.60 1x7i h TYR 132 Cb 0.70 -0.10 -0.01 0.00 1.00 0.00 0.00 36.73 38.32 1x7i h TYR 132 CO 0.09 0.43 -0.17 1.15 -0.00 0.00 0.00 178.16 179.66 1x7i h THR 133 N 0.31 1.28 -0.85 -2.88 2.02 -0.91 -1.17 112.91 110.72 1x7i h THR 133 Ca 0.06 -1.30 0.01 0.00 0.77 0.00 0.00 66.41 65.95 1x7i h THR 133 Cb 0.37 1.25 -0.04 0.00 -1.74 0.00 0.00 68.15 67.99 1x7i h THR 133 CO 0.02 0.44 0.56 -0.07 0.37 0.00 0.00 175.52 176.84 1x7i h LEU 134 N 0.66 0.98 -0.52 2.58 3.38 -0.61 0.60 115.31 122.38 1x7i h LEU 134 Ca 0.10 -0.03 0.04 0.00 0.09 0.00 0.00 57.88 58.07 1x7i h LEU 134 Cb 0.72 -0.25 -0.04 0.00 0.09 0.00 0.00 40.66 41.18 1x7i h LEU 134 CO 0.05 0.72 0.28 0.78 0.09 0.00 0.00 178.44 180.36 1x7i h ASN 135 N 1.16 0.42 -0.71 -0.43 -0.26 -0.97 -0.62 115.58 114.17 1x7i h ASN 135 Ca 0.31 0.02 -0.02 0.00 -0.56 0.00 0.00 56.30 56.05 1x7i h ASN 135 Cb -0.12 -0.06 -0.03 0.00 -1.06 0.00 0.00 38.32 37.04 1x7i h ASN 135 CO -0.07 0.29 0.35 0.78 -1.06 0.00 0.00 177.43 177.73 1x7i h ASN 136 N 0.55 0.93 -0.39 5.81 -0.26 -0.30 -0.77 115.58 121.16 1x7i h ASN 136 Ca 0.22 -0.13 -0.08 0.00 -0.56 0.00 0.00 56.30 55.75 1x7i h ASN 136 Cb 0.09 -0.24 -0.02 0.00 -1.06 0.00 0.00 38.32 37.09 1x7i h ASN 136 CO -0.13 0.80 -0.04 -0.07 -1.06 0.00 0.00 177.43 176.92 1x7i h LEU 137 N 1.00 0.77 -0.50 1.61 3.38 -0.37 -1.51 115.31 119.70 1x7i h LEU 137 Ca 0.25 -0.20 -0.08 0.00 0.09 0.00 0.00 57.88 57.93 1x7i h LEU 137 Cb 0.11 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.64 1x7i h LEU 137 CO -0.03 0.87 -0.02 0.00 0.09 0.00 0.00 178.44 179.35 1x7i h ALA 138 N 1.22 0.67 -0.46 1.53 0.00 -0.75 -0.67 119.26 120.79 1x7i h ALA 138 Ca 0.14 -0.29 -0.01 0.00 0.00 0.00 0.00 54.91 54.74 1x7i h ALA 138 Cb 0.51 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.09 1x7i h ALA 138 CO 0.03 0.50 0.25 1.49 0.00 0.00 0.00 179.25 181.52 1x7i h GLU 139 N 0.75 0.63 0.00 0.00 4.57 -0.75 -1.71 114.58 118.07 1x7i h GLU 139 Ca 0.14 -0.06 -0.05 0.00 -1.18 0.00 0.00 59.36 58.21 1x7i h GLU 139 Cb 0.54 -0.13 -0.01 0.00 -0.16 0.00 0.00 28.75 28.99 1x7i h GLU 139 CO 0.03 0.47 -0.26 -0.07 -1.18 0.00 0.00 179.01 178.00 1x7i h LEU 140 N 0.64 0.00 0.00 1.64 3.38 -0.98 -3.47 115.31 116.52 1x7i h LEU 140 Ca 0.17 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.14 1x7i h LEU 140 Cb 0.02 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.77 1x7i h LEU 140 CO -0.03 0.26 0.00 0.61 0.09 0.00 0.00 178.44 179.37 1x7i n GLY 141 N 0.70 0.89 3.73 0.83 0.00 -0.64 -4.96 105.19 105.75 1x7i n GLY 141 Ca 0.02 -0.11 -0.42 0.00 0.00 0.00 0.00 46.02 45.51 1x7i n GLY 141 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1x7i s ILE 142 N -2.00 2.06 0.07 -0.61 -1.09 -0.33 -4.80 121.20 114.50 1x7i s ILE 142 Ca 0.00 0.05 -0.15 0.00 -2.23 0.00 0.00 60.65 58.32 1x7i s ILE 142 Cb 0.00 -3.03 -0.25 0.00 -1.58 0.00 0.00 42.46 37.60 1x7i s ILE 142 CO 0.00 0.01 1.16 0.00 -1.23 0.00 0.00 174.94 174.88 1x7i h ALA 143 N 6.12 0.09 -2.80 9.38 0.00 -1.54 -3.40 119.26 127.10 1x7i h ALA 143 Ca -0.44 -0.71 -0.04 0.00 0.00 0.00 0.00 54.91 53.72 1x7i h ALA 143 Cb 1.21 0.07 -0.11 0.00 0.00 0.00 0.00 17.79 18.96 1x7i h ALA 143 CO 0.90 0.66 -0.05 -0.98 0.00 0.00 0.00 179.25 179.78 1x7i s ARG 144 N -3.23 1.27 -0.03 0.00 1.70 -1.18 -1.45 118.95 116.02 1x7i s ARG 144 Ca -0.10 -0.87 0.02 0.00 -0.47 0.00 0.00 55.73 54.30 1x7i s ARG 144 Cb 0.06 0.48 0.01 0.00 -0.57 0.00 0.00 34.95 34.94 1x7i s ARG 144 CO 0.92 -0.52 -0.06 0.54 -1.08 0.00 0.00 175.30 175.10 1x7i s VAL 145 N -3.87 0.61 -0.23 4.99 0.11 0.27 -1.15 120.40 121.12 1x7i s VAL 145 Ca 0.09 -0.23 -0.19 0.00 -2.93 0.00 0.00 61.98 58.72 1x7i s VAL 145 Cb 0.00 -0.58 -0.03 0.00 -1.53 0.00 0.00 36.38 34.25 1x7i s VAL 145 CO -0.05 0.21 0.54 -0.22 -3.33 0.00 0.00 175.10 172.26 1x7i s LEU 146 N 0.48 4.09 0.02 2.54 2.96 -0.18 -0.78 118.68 127.80 1x7i s LEU 146 Ca -0.07 0.63 -0.11 0.00 -0.22 0.00 0.00 54.13 54.36 1x7i s LEU 146 Cb -0.10 -2.72 0.01 0.00 0.50 0.00 0.00 46.19 43.87 1x7i s LEU 146 CO 0.00 -0.26 0.23 0.28 -1.32 0.00 0.00 176.35 175.29 1x7i s THR 147 N 2.06 0.08 -0.48 3.68 -1.32 -0.30 -3.39 115.64 115.97 1x7i s THR 147 Ca 0.23 -0.69 0.15 0.00 -1.21 0.00 0.00 61.69 60.18 1x7i s THR 147 Cb -0.16 -0.72 0.55 0.00 -1.51 0.00 0.00 72.50 70.67 1x7i s THR 147 CO 0.09 -0.38 1.47 -1.54 -2.21 0.00 0.00 174.62 172.05 1x7i n SER 148 N 1.01 4.08 -0.84 8.08 3.41 -1.23 -1.28 113.62 126.85 1x7i n SER 148 Ca -0.20 -2.72 -0.10 0.00 -0.26 0.00 0.00 58.87 55.59 1x7i n SER 148 Cb 0.57 -0.51 -0.03 0.00 -0.26 0.00 0.00 64.21 63.99 1x7i n SER 148 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1x7i n GLY 149 N 0.09 0.80 2.66 5.00 0.00 -1.26 -2.71 105.19 109.76 1x7i n GLY 149 Ca 0.21 -0.56 -0.19 0.00 0.00 0.00 0.00 46.02 45.48 1x7i n GLY 149 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1x7i n GLN 150 N -2.50 -3.19 -4.55 1.61 6.02 -1.26 -4.74 117.38 108.77 1x7i n GLN 150 Ca -0.10 0.84 -0.26 0.00 -0.01 0.00 0.00 57.00 57.48 1x7i n GLN 150 Cb 0.39 -5.44 -0.10 0.00 1.02 0.00 0.00 30.24 26.11 1x7i n GLN 150 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 177.06 176.20 1x7i s LYS 151 N -5.30 1.85 0.45 -1.09 -0.14 -1.10 -5.04 119.74 109.37 1x7i s LYS 151 Ca 0.16 -2.06 0.14 0.00 -1.36 0.00 0.00 55.97 52.85 1x7i s LYS 151 Cb -0.07 -1.23 1.07 0.00 -1.68 0.00 0.00 37.83 35.91 1x7i s LYS 151 CO 0.20 -0.16 2.01 0.77 -0.76 0.00 0.00 175.35 177.40 1x7i h SER 152 N 1.88 0.31 -5.05 2.83 0.02 -1.95 -3.43 113.55 108.16 1x7i h SER 152 Ca -0.42 0.00 -0.13 0.00 -0.84 0.00 0.00 61.79 60.41 1x7i h SER 152 Cb 1.25 -0.06 -0.18 0.00 0.14 0.00 0.00 62.40 63.54 1x7i h SER 152 CO 0.74 0.19 -0.48 1.51 -1.14 0.00 0.00 176.83 177.66 1x7i s ASP 153 N -6.39 0.09 0.44 3.07 -4.77 -1.26 -4.89 116.67 102.95 1x7i s ASP 153 Ca -0.07 -0.38 0.12 0.00 -3.30 0.00 0.00 52.55 48.92 1x7i s ASP 153 Cb 0.19 0.24 1.01 0.00 -1.09 0.00 0.00 42.92 43.26 1x7i s ASP 153 CO 0.74 -0.48 2.03 0.00 0.70 0.00 0.00 175.17 178.16 1x7i h ALA 154 N 3.80 1.92 -0.25 2.11 0.00 -1.01 -2.37 119.26 123.46 1x7i h ALA 154 Ca -0.32 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.56 1x7i h ALA 154 Cb 1.19 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.87 1x7i h ALA 154 CO 0.47 0.00 0.10 1.25 0.00 0.00 0.00 179.25 181.07 1x7i h LEU 155 N 0.40 0.35 -1.87 0.00 7.12 -1.86 0.77 115.31 120.22 1x7i h LEU 155 Ca 0.20 -0.16 -0.02 0.00 0.13 0.00 0.00 57.88 58.03 1x7i h LEU 155 Cb 0.28 -0.09 -0.00 0.00 -0.53 0.00 0.00 40.66 40.31 1x7i h LEU 155 CO -0.05 0.42 -0.09 1.56 -0.13 0.00 0.00 178.44 180.14 1x7i h GLN 156 N 0.26 0.00 -0.65 1.25 4.20 -1.77 -1.92 115.11 116.49 1x7i h GLN 156 Ca 0.09 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.80 1x7i h GLN 156 Cb 0.17 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.95 1x7i h GLN 156 CO -0.01 0.09 0.00 0.41 -0.67 0.00 0.00 178.83 178.66 1x7i n GLY 157 N -1.21 2.76 0.32 3.46 0.00 -0.72 -4.54 105.19 105.24 1x7i n GLY 157 Ca -0.03 -0.86 -0.04 0.00 0.00 0.00 0.00 46.02 45.09 1x7i n GLY 157 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1x7i h LEU 158 N 4.07 0.89 -1.01 0.99 5.85 -0.03 -0.55 115.31 125.52 1x7i h LEU 158 Ca 0.00 -0.15 -0.03 0.00 0.84 0.00 0.00 57.88 58.54 1x7i h LEU 158 Cb 1.58 -0.23 -0.03 0.00 0.37 0.00 0.00 40.66 42.35 1x7i h LEU 158 CO 0.30 0.84 0.33 0.77 -0.34 0.00 0.00 178.44 180.34 1x7i h SER 159 N 0.93 0.94 -0.34 1.25 4.64 -1.81 -0.75 113.55 118.41 1x7i h SER 159 Ca 0.21 -0.11 -0.11 0.00 -0.47 0.00 0.00 61.79 61.30 1x7i h SER 159 Cb 0.27 -0.24 -0.01 0.00 -0.31 0.00 0.00 62.40 62.11 1x7i h SER 159 CO -0.01 0.81 -0.23 0.50 -0.87 0.00 0.00 176.83 177.03 1x7i h LYS 160 N 1.03 0.75 -1.00 4.77 1.63 -1.77 -2.65 116.57 119.32 1x7i h LYS 160 Ca 0.25 -0.36 0.06 0.00 -0.85 0.00 0.00 60.65 59.75 1x7i h LYS 160 Cb 0.13 -0.01 -0.06 0.00 -0.60 0.00 0.00 32.23 31.69 1x7i h LYS 160 CO -0.03 0.97 0.65 0.82 -3.45 0.00 0.00 179.45 178.41 1x7i h ILE 161 N 0.52 1.11 -0.30 2.00 2.04 -0.53 0.82 117.51 123.18 1x7i h ILE 161 Ca 0.07 -0.41 -0.07 0.00 1.00 0.00 0.00 64.86 65.45 1x7i h ILE 161 Cb 0.79 -0.19 -0.02 0.00 -0.74 0.00 0.00 36.82 36.66 1x7i h ILE 161 CO 0.06 0.22 -0.09 0.24 0.00 0.00 0.00 178.15 178.58 1x7i h MET 162 N 1.20 0.50 -0.25 2.37 2.86 -0.99 -0.50 114.93 120.12 1x7i h MET 162 Ca 0.42 -0.13 -0.05 0.00 -2.06 0.00 0.00 59.70 57.88 1x7i h MET 162 Cb 0.12 -0.06 -0.01 0.00 0.06 0.00 0.00 31.60 31.71 1x7i h MET 162 CO -0.16 0.60 -0.03 0.93 1.06 0.00 0.00 176.91 179.31 1x7i h GLU 163 N 0.47 0.45 -0.84 1.72 5.08 -0.78 -3.07 114.58 117.62 1x7i h GLU 163 Ca 0.09 -0.16 0.03 0.00 -1.00 0.00 0.00 59.36 58.32 1x7i h GLU 163 Cb 0.45 -0.03 -0.05 0.00 0.50 0.00 0.00 28.75 29.62 1x7i h GLU 163 CO 0.02 0.65 0.54 -0.07 -1.00 0.00 0.00 179.01 179.16 1x7i h LEU 164 N 0.21 0.90 -1.88 1.33 3.38 -0.50 -2.44 115.31 116.31 1x7i h LEU 164 Ca 0.07 -0.01 0.02 0.00 0.09 0.00 0.00 57.88 58.05 1x7i h LEU 164 Cb 0.47 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.01 1x7i h LEU 164 CO 0.02 0.62 0.13 0.40 0.09 0.00 0.00 178.44 179.70 1x7i h ILE 165 N 1.05 0.99 0.00 1.22 2.04 -1.00 -1.95 117.51 119.86 1x7i h ILE 165 Ca 0.33 -0.06 0.00 0.00 1.00 0.00 0.00 64.86 66.14 1x7i h ILE 165 Cb -0.01 0.81 0.00 0.00 -0.74 0.00 0.00 36.82 36.89 1x7i h ILE 165 CO -0.11 0.03 0.00 0.00 0.00 0.00 0.00 178.15 178.07 1x7i n ALA 166 N -2.53 2.41 -2.63 1.87 0.00 -0.92 -4.75 120.51 113.96 1x7i n ALA 166 Ca 0.01 -0.15 -0.43 0.00 0.00 0.00 0.00 53.44 52.87 1x7i n ALA 166 Cb 0.16 -1.41 -0.03 0.00 0.00 0.00 0.00 19.45 18.17 1x7i n ALA 166 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 1x7i s HIS 167 N -2.10 3.19 0.73 0.00 5.04 -0.74 -5.04 115.29 116.38 1x7i s HIS 167 Ca 0.35 1.06 -0.12 0.00 -1.54 0.00 0.00 55.06 54.82 1x7i s HIS 167 Cb 0.17 -3.46 0.04 0.00 0.04 0.00 0.00 32.58 29.37 1x7i s HIS 167 CO 0.31 -0.66 1.10 0.50 -2.34 0.00 0.00 174.74 173.65 1x7i s ARG 168 N 3.32 2.46 -0.92 2.88 3.52 -1.26 -4.15 118.95 124.80 1x7i s ARG 168 Ca 0.40 1.25 -0.08 0.00 -0.13 0.00 0.00 55.73 57.17 1x7i s ARG 168 Cb -0.13 -1.92 -0.00 0.00 -1.56 0.00 0.00 34.95 31.34 1x7i s ARG 168 CO 0.13 -1.50 0.69 -3.47 -0.81 0.00 0.00 175.30 170.35 1x7i n ASP 169 N -3.11 -5.75 -3.90 -2.12 2.03 -1.26 -5.00 116.55 97.44 1x7i n ASP 169 Ca 0.10 -0.77 -0.08 0.00 0.52 0.00 0.00 54.79 54.56 1x7i n ASP 169 Cb 0.53 -3.16 -0.08 0.00 -0.72 0.00 0.00 41.12 37.68 1x7i n ASP 169 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1x7i s ALA 170 N -3.17 -0.10 0.92 -1.67 0.00 -1.26 -4.78 121.76 111.70 1x7i s ALA 170 Ca 0.18 -0.72 -0.11 0.00 0.00 0.00 0.00 51.96 51.30 1x7i s ALA 170 Cb -0.07 0.45 0.14 0.00 0.00 0.00 0.00 23.12 23.64 1x7i s ALA 170 CO 0.85 -0.49 1.09 -1.25 0.00 0.00 0.00 175.76 175.97 1x7i s PRO 171 N -3.87 1.07 0.32 0.00 0.04 -1.26 -4.94 135.00 126.35 1x7i s PRO 171 Ca 0.05 0.89 -0.29 0.00 0.04 0.00 0.00 61.00 61.69 1x7i s PRO 171 Cb 0.05 -1.78 -0.10 0.00 0.04 0.00 0.00 34.50 32.71 1x7i s PRO 171 CO -0.11 -2.39 1.41 0.42 0.04 0.00 0.00 177.00 176.37 1x7i s ILE 172 N -2.87 2.47 -0.27 0.56 1.01 -0.53 -4.75 121.20 116.82 1x7i s ILE 172 Ca 0.64 0.44 -0.18 0.00 0.00 0.00 0.00 60.65 61.56 1x7i s ILE 172 Cb -0.19 -3.28 -0.03 0.00 0.01 0.00 0.00 42.46 38.97 1x7i s ILE 172 CO 0.58 0.09 0.50 -0.63 0.00 0.00 0.00 174.94 175.48 1x7i s ILE 173 N -0.76 5.08 -0.24 2.92 -1.09 -1.26 -0.57 121.20 125.28 1x7i s ILE 173 Ca 0.54 0.78 -0.02 0.00 -2.23 0.00 0.00 60.65 59.72 1x7i s ILE 173 Cb -0.43 -3.83 0.01 0.00 -1.58 0.00 0.00 42.46 36.64 1x7i s ILE 173 CO 0.53 0.06 -0.06 -0.32 -1.23 0.00 0.00 174.94 173.92 1x7i s MET 174 N 2.29 3.04 0.13 2.79 -2.45 0.04 -3.90 119.30 121.24 1x7i s MET 174 Ca 0.20 -0.84 -0.30 0.00 -1.25 0.00 0.00 55.69 53.50 1x7i s MET 174 Cb -0.16 -2.98 -0.07 0.00 1.25 0.00 0.00 34.83 32.88 1x7i s MET 174 CO 0.10 -0.32 1.11 0.00 1.05 0.00 0.00 175.02 176.96 1x7i s ALA 175 N 1.38 3.35 0.06 4.11 0.00 -0.71 -1.15 121.76 128.80 1x7i s ALA 175 Ca 0.03 0.78 -0.15 0.00 0.00 0.00 0.00 51.96 52.62 1x7i s ALA 175 Cb -0.16 -3.37 0.03 0.00 0.00 0.00 0.00 23.12 19.62 1x7i s ALA 175 CO -0.04 -0.26 0.34 0.20 0.00 0.00 0.00 175.76 175.99 1x7i s GLY 176 N 0.32 -0.17 0.00 0.00 0.00 -0.40 -0.34 107.32 106.73 1x7i s GLY 176 Ca 0.52 0.05 0.00 0.00 0.00 0.00 0.00 44.72 45.29 1x7i s GLY 176 CO 0.32 -0.18 0.00 0.00 0.00 0.00 0.00 173.10 173.24 1x7i n ALA 177 N 0.41 0.00 -0.71 3.20 0.00 -1.26 -3.58 120.51 118.57 1x7i n ALA 177 Ca -0.18 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.26 1x7i n ALA 177 Cb 0.60 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.05 1x7i n ALA 177 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1x7i n GLY 178 N 0.63 0.78 3.71 0.00 0.00 -1.26 -0.67 105.19 108.38 1x7i n GLY 178 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 1x7i n GLY 178 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1x7i s VAL 179 N -2.91 3.91 0.31 1.61 1.01 -1.26 -4.93 120.40 118.13 1x7i s VAL 179 Ca 0.00 1.37 -0.09 0.00 0.00 0.00 0.00 61.98 63.26 1x7i s VAL 179 Cb 0.00 -3.88 0.01 0.00 0.00 0.00 0.00 36.38 32.51 1x7i s VAL 179 CO 0.00 0.10 0.52 0.00 0.00 0.00 0.00 175.10 175.72 1x7i s ARG 180 N 1.11 1.81 0.23 2.72 1.70 -1.26 -4.69 118.95 120.57 1x7i s ARG 180 Ca 0.60 -1.50 -0.06 0.00 -0.47 0.00 0.00 55.73 54.30 1x7i s ARG 180 Cb -0.31 0.48 0.39 0.00 -0.57 0.00 0.00 34.95 34.95 1x7i s ARG 180 CO 0.29 -0.77 1.74 0.00 -1.08 0.00 0.00 175.30 175.48 1x7i h ALA 181 N 2.16 0.97 -0.98 7.88 0.00 -1.94 0.23 119.26 127.57 1x7i h ALA 181 Ca -0.28 0.10 0.11 0.00 0.00 0.00 0.00 54.91 54.84 1x7i h ALA 181 Cb 1.25 0.07 -0.08 0.00 0.00 0.00 0.00 17.79 19.03 1x7i h ALA 181 CO 0.38 -0.19 0.62 0.93 0.00 0.00 0.00 179.25 180.99 1x7i h GLU 182 N 0.45 0.96 -0.10 0.00 3.07 -1.97 -3.12 114.58 113.86 1x7i h GLU 182 Ca 0.38 -0.06 0.00 0.00 -0.50 0.00 0.00 59.36 59.18 1x7i h GLU 182 Cb 0.53 -0.22 0.00 0.00 -0.84 0.00 0.00 28.75 28.22 1x7i h GLU 182 CO -0.37 0.64 0.00 0.27 -1.40 0.00 0.00 179.01 178.15 1x7i n ASN 183 N -4.58 2.11 -0.28 1.42 0.23 -0.91 -4.71 115.26 108.54 1x7i n ASN 183 Ca 0.18 -1.59 0.05 0.00 -0.53 0.00 0.00 54.58 52.69 1x7i n ASN 183 Cb 0.32 -0.06 0.19 0.00 -2.08 0.00 0.00 39.78 38.16 1x7i n ASN 183 CO 0.00 0.00 0.00 0.25 -0.93 0.00 0.00 177.26 176.58 1x7i h LEU 184 N 1.85 0.48 -1.89 -4.53 6.46 -0.90 -1.76 115.31 115.02 1x7i h LEU 184 Ca 0.00 0.09 0.20 0.00 -0.12 0.00 0.00 57.88 58.05 1x7i h LEU 184 Cb 0.49 0.01 -0.04 0.00 -0.73 0.00 0.00 40.66 40.40 1x7i h LEU 184 CO 0.00 0.22 0.53 1.12 -0.62 0.00 0.00 178.44 179.69 1x7i h HIS 185 N 0.60 0.13 -0.55 1.25 2.07 -1.84 -0.47 115.15 116.33 1x7i h HIS 185 Ca 0.42 0.00 -0.05 0.00 -2.85 0.00 0.00 60.37 57.90 1x7i h HIS 185 Cb 0.56 -0.04 -0.02 0.00 2.57 0.00 0.00 27.41 30.48 1x7i h HIS 185 CO -0.11 0.04 0.16 0.45 -3.07 0.00 0.00 177.93 175.40 1x7i h HIS 186 N 0.10 0.89 -0.19 6.12 3.86 -1.67 -0.35 115.15 123.91 1x7i h HIS 186 Ca 0.37 -0.09 -0.16 0.00 -1.16 0.00 0.00 60.37 59.33 1x7i h HIS 186 Cb 1.31 -0.26 -0.01 0.00 1.06 0.00 0.00 27.41 29.52 1x7i h HIS 186 CO -0.00 0.76 -0.53 0.74 0.86 0.00 0.00 177.93 179.76 1x7i h PHE 187 N 0.76 0.69 -0.30 2.45 -1.00 -1.20 -2.05 116.94 116.28 1x7i h PHE 187 Ca 0.17 -0.24 -0.05 0.00 2.81 0.00 0.00 57.97 60.67 1x7i h PHE 187 Cb 0.30 -0.13 -0.01 0.00 3.61 0.00 0.00 35.95 39.71 1x7i h PHE 187 CO 0.02 0.96 0.00 -0.07 -1.61 0.00 0.00 178.31 177.62 1x7i h LEU 188 N 0.43 0.51 -1.52 1.54 3.38 -1.21 -2.18 115.31 116.27 1x7i h LEU 188 Ca 0.01 -0.30 -0.02 0.00 0.09 0.00 0.00 57.88 57.66 1x7i h LEU 188 Cb 1.07 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.67 1x7i h LEU 188 CO 0.10 0.69 0.07 0.44 0.09 0.00 0.00 178.44 179.83 1x7i h ASP 189 N 0.31 0.35 1.03 -0.43 3.32 -1.00 -1.62 116.42 118.38 1x7i h ASP 189 Ca 0.08 -0.04 0.00 0.00 0.02 0.00 0.00 57.03 57.10 1x7i h ASP 189 Cb 0.42 -0.09 0.00 0.00 0.22 0.00 0.00 39.33 39.88 1x7i h ASP 189 CO 0.01 0.36 0.00 0.00 -1.72 0.00 0.00 179.24 177.89 1x7i h ALA 190 N 1.70 1.00 0.00 3.45 0.00 -1.05 -3.47 119.26 120.89 1x7i h ALA 190 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.01 1x7i h ALA 190 Cb 0.14 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.93 1x7i h ALA 190 CO -0.01 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.65 1x7i n GLY 191 N 0.05 0.86 3.73 0.00 0.00 -0.61 -4.93 105.19 104.30 1x7i n GLY 191 Ca 0.01 -0.23 -0.42 0.00 0.00 0.00 0.00 46.02 45.39 1x7i n GLY 191 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1x7i s VAL 192 N -2.00 3.12 0.09 1.61 1.01 -0.85 -4.94 120.40 118.44 1x7i s VAL 192 Ca 0.00 0.89 0.04 0.00 0.00 0.00 0.00 61.98 62.90 1x7i s VAL 192 Cb 0.00 -3.57 -0.24 0.00 0.00 0.00 0.00 36.38 32.58 1x7i s VAL 192 CO 0.00 0.12 1.18 -0.07 0.00 0.00 0.00 175.10 176.33 1x7i h LEU 193 N 5.69 0.14 -7.82 3.92 3.38 -1.90 -3.45 115.31 115.27 1x7i h LEU 193 Ca -0.44 -0.16 -0.20 0.00 0.09 0.00 0.00 57.88 57.17 1x7i h LEU 193 Cb 1.21 -0.05 -0.25 0.00 0.09 0.00 0.00 40.66 41.67 1x7i h LEU 193 CO 0.80 1.13 -0.69 -1.61 0.09 0.00 0.00 178.44 178.15 1x7i s GLU 194 N -2.68 0.15 0.10 1.13 2.02 -1.25 -1.26 118.70 116.90 1x7i s GLU 194 Ca -0.01 -0.24 0.06 0.00 0.02 0.00 0.00 54.97 54.80 1x7i s GLU 194 Cb 0.09 0.05 -0.03 0.00 0.10 0.00 0.00 34.13 34.34 1x7i s GLU 194 CO 0.84 -0.02 -0.16 0.54 0.02 0.00 0.00 175.26 176.47 1x7i s VAL 195 N -0.62 1.38 -0.07 2.63 0.11 -0.13 -1.74 120.40 121.96 1x7i s VAL 195 Ca -0.07 -1.51 0.03 0.00 -2.93 0.00 0.00 61.98 57.51 1x7i s VAL 195 Cb -0.04 -1.36 0.01 0.00 -1.53 0.00 0.00 36.38 33.45 1x7i s VAL 195 CO -0.00 -0.23 -0.17 -2.28 -3.33 0.00 0.00 175.10 169.09 1x7i s HIS 196 N -1.49 1.81 -0.07 1.54 2.46 0.54 -0.67 115.29 119.41 1x7i s HIS 196 Ca 0.04 -0.65 -0.08 0.00 0.47 0.00 0.00 55.06 54.83 1x7i s HIS 196 Cb -0.09 -1.26 0.02 0.00 -0.13 0.00 0.00 32.58 31.13 1x7i s HIS 196 CO 0.03 -0.28 0.22 0.45 -2.47 0.00 0.00 174.74 172.69 1x7i s SER 197 N 0.41 -0.19 0.23 9.88 0.15 -0.24 -4.26 113.70 119.67 1x7i s SER 197 Ca -0.13 0.33 0.15 0.00 0.70 0.00 0.00 55.95 57.00 1x7i s SER 197 Cb -0.15 0.41 0.01 0.00 -1.71 0.00 0.00 66.02 64.58 1x7i s SER 197 CO 0.05 -0.15 1.30 0.77 1.20 0.00 0.00 173.24 176.41 1x7i h SER 198 N 5.44 0.00 -6.53 5.45 4.64 -1.83 -0.26 113.55 120.45 1x7i h SER 198 Ca -0.27 0.00 -0.48 0.00 -0.47 0.00 0.00 61.79 60.57 1x7i h SER 198 Cb 1.19 0.00 -0.19 0.00 -0.31 0.00 0.00 62.40 63.09 1x7i h SER 198 CO 0.38 0.52 -0.74 0.00 -0.87 0.00 0.00 176.83 176.12 1x7i n ALA 199 N -2.26 -1.58 -4.13 5.18 0.00 -1.26 -4.58 120.51 111.86 1x7i n ALA 199 Ca -0.01 -0.29 -0.17 0.00 0.00 0.00 0.00 53.44 52.98 1x7i n ALA 199 Cb 0.76 -0.92 -0.04 0.00 0.00 0.00 0.00 19.45 19.24 1x7i n ALA 199 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1x7i n GLY 200 N -1.93 3.61 3.52 0.00 0.00 -1.26 0.74 105.19 109.87 1x7i n GLY 200 Ca -0.17 -2.08 -0.09 0.00 0.00 0.00 0.00 46.02 43.67 1x7i n GLY 200 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1x7i s ALA 201 N -2.65 -1.65 -0.11 4.61 0.00 -0.38 -4.85 121.76 116.73 1x7i s ALA 201 Ca 0.11 0.56 -0.22 0.00 0.00 0.00 0.00 51.96 52.41 1x7i s ALA 201 Cb 0.01 0.70 -0.03 0.00 0.00 0.00 0.00 23.12 23.79 1x7i s ALA 201 CO 0.08 -0.79 0.66 -1.58 0.00 0.00 0.00 175.76 174.13 1x7i s TRP 202 N -3.50 3.51 -0.04 0.00 0.52 -1.26 -1.37 118.94 116.79 1x7i s TRP 202 Ca 0.04 1.12 -0.04 0.00 0.02 0.00 0.00 56.10 57.25 1x7i s TRP 202 Cb -0.02 -2.78 -0.04 0.00 -1.15 0.00 0.00 33.47 29.48 1x7i s TRP 202 CO -0.08 0.01 0.17 -1.14 0.02 0.00 0.00 176.95 175.93 1x7i s GLN 203 N 1.14 3.43 0.38 4.98 0.74 0.70 -4.88 119.66 126.15 1x7i s GLN 203 Ca 0.34 -0.28 -0.25 0.00 0.05 0.00 0.00 55.36 55.22 1x7i s GLN 203 Cb -0.17 -3.11 -0.09 0.00 1.10 0.00 0.00 33.01 30.74 1x7i s GLN 203 CO 0.15 0.70 1.09 0.00 -0.55 0.00 0.00 175.29 176.68 1x7i s ALA 204 N -1.25 3.16 0.37 1.58 0.00 -1.26 0.96 121.76 125.33 1x7i s ALA 204 Ca 0.24 0.81 -0.26 0.00 0.00 0.00 0.00 51.96 52.75 1x7i s ALA 204 Cb -0.12 -3.31 -0.09 0.00 0.00 0.00 0.00 23.12 19.59 1x7i s ALA 204 CO 0.15 -0.30 1.17 0.45 0.00 0.00 0.00 175.76 177.23 1x7i s SER 205 N -1.31 6.68 0.00 0.00 0.15 -0.40 -4.72 113.70 114.10 1x7i s SER 205 Ca 0.55 2.37 0.32 0.00 0.70 0.00 0.00 55.95 59.88 1x7i s SER 205 Cb -0.26 -2.62 1.83 0.00 -1.71 0.00 0.00 66.02 63.26 1x7i s SER 205 CO 0.33 -0.57 2.19 -0.81 1.20 0.00 0.00 173.24 175.59 1x7i n PRO 206 N 0.33 0.90 -1.66 5.44 -0.04 -1.26 -4.89 135.00 133.82 1x7i n PRO 206 Ca 0.03 -0.01 -0.48 0.00 -0.04 0.00 0.00 63.50 63.00 1x7i n PRO 206 Cb 0.46 -1.50 -0.05 0.00 -0.04 0.00 0.00 33.50 32.37 1x7i n PRO 206 CO 0.00 0.00 0.00 -1.33 -0.04 0.00 0.00 175.50 174.13 1x7i n MET 207 N -1.04 1.94 -0.00 0.54 2.81 -1.26 -4.87 117.12 115.24 1x7i n MET 207 Ca 0.22 0.70 0.10 0.00 -1.81 0.00 0.00 57.70 56.91 1x7i n MET 207 Cb 0.14 -2.45 -0.11 0.00 -0.71 0.00 0.00 33.22 30.08 1x7i n MET 207 CO 0.00 0.00 0.00 0.54 1.51 0.00 0.00 175.97 178.02 1x7i n ARG 208 N 3.65 0.31 -4.45 0.03 1.74 -1.26 -4.85 116.66 111.84 1x7i n ARG 208 Ca 0.18 -0.00 -0.33 0.00 -0.77 0.00 0.00 57.85 56.93 1x7i n ARG 208 Cb 0.27 -1.46 -0.16 0.00 -1.02 0.00 0.00 32.46 30.09 1x7i n ARG 208 CO 0.00 0.00 0.00 -0.47 -1.52 0.00 0.00 177.63 175.64 1x7i s TYR 209 N -2.91 2.72 0.04 -1.55 6.14 -1.26 -5.32 117.35 115.21 1x7i s TYR 209 Ca 0.08 -1.44 0.00 0.00 0.64 0.00 0.00 57.07 56.35 1x7i s TYR 209 Cb 0.15 -1.86 -0.00 0.00 0.42 0.00 0.00 41.96 40.67 1x7i s TYR 209 CO 0.83 -0.68 0.04 0.54 0.64 0.00 0.00 175.55 176.92 1x7i n ARG 210 N 4.29 0.06 -2.34 4.97 1.74 -1.26 -5.19 116.66 118.92 1x7i n ARG 210 Ca -0.20 -0.35 -0.41 0.00 -0.77 0.00 0.00 57.85 56.12 1x7i n ARG 210 Cb 0.51 0.30 -0.03 0.00 -1.02 0.00 0.00 32.46 32.23 1x7i n ARG 210 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 1x7i s ASP 223 N -1.25 5.94 0.00 0.55 -1.08 -1.26 -5.28 116.67 114.28 1x7i s ASP 223 Ca 0.04 0.15 0.08 0.00 -0.52 0.00 0.00 52.55 52.30 1x7i s ASP 223 Cb 0.00 -2.54 0.20 0.00 -1.46 0.00 0.00 42.92 39.12 1x7i s ASP 223 CO 0.03 -1.89 1.13 -0.62 0.52 0.00 0.00 175.17 174.34 1x7i n GLU 224 N 8.95 2.59 -3.09 4.34 -0.58 -1.26 -4.75 120.64 126.84 1x7i n GLU 224 Ca 0.12 -1.79 -0.22 0.00 -0.42 0.00 0.00 57.16 54.85 1x7i n GLU 224 Cb 0.50 -1.19 -0.04 0.00 -0.57 0.00 0.00 31.44 30.14 1x7i n GLU 224 CO 0.00 0.00 0.00 0.66 -0.48 0.00 0.00 177.13 177.31 1x7i n TYR 225 N 0.25 1.80 -3.60 -0.32 4.02 -1.26 -5.02 117.16 113.04 1x7i n TYR 225 Ca 0.08 -3.89 -0.14 0.00 -0.01 0.00 0.00 57.90 53.94 1x7i n TYR 225 Cb 0.36 -0.45 -0.07 0.00 -0.02 0.00 0.00 39.34 39.16 1x7i n TYR 225 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 176.86 174.31 1x7i s SER 226 N -2.84 -0.63 0.12 7.72 1.04 -1.26 -1.28 113.70 116.56 1x7i s SER 226 Ca 0.44 1.06 0.10 0.00 0.48 0.00 0.00 55.95 58.02 1x7i s SER 226 Cb 0.32 1.02 -0.04 0.00 0.10 0.00 0.00 66.02 67.42 1x7i s SER 226 CO -0.10 -0.32 -0.24 -0.13 0.98 0.00 0.00 173.24 173.42 1x7i s ARG 227 N -0.17 1.28 -0.30 4.02 3.00 0.27 -4.87 118.95 122.18 1x7i s ARG 227 Ca -0.02 -1.26 -0.15 0.00 0.00 0.00 0.00 55.73 54.31 1x7i s ARG 227 Cb -0.03 -1.66 -0.03 0.00 0.00 0.00 0.00 34.95 33.23 1x7i s ARG 227 CO 0.02 0.39 0.35 -0.47 0.00 0.00 0.00 175.30 175.59 1x7i s TYR 228 N -1.10 3.22 0.27 -0.53 5.04 -1.26 0.25 117.35 123.25 1x7i s TYR 228 Ca 0.10 0.19 0.07 0.00 -2.44 0.00 0.00 57.07 54.99 1x7i s TYR 228 Cb -0.10 -2.61 -0.06 0.00 0.35 0.00 0.00 41.96 39.55 1x7i s TYR 228 CO 0.05 -0.32 -0.07 0.96 -1.34 0.00 0.00 175.55 174.84 1x7i s ILE 229 N 2.03 1.66 0.14 3.14 -4.36 -0.48 -4.89 121.20 118.45 1x7i s ILE 229 Ca 0.13 -2.14 -0.10 0.00 -0.26 0.00 0.00 60.65 58.28 1x7i s ILE 229 Cb -0.16 -2.41 -0.06 0.00 1.25 0.00 0.00 42.46 41.07 1x7i s ILE 229 CO 0.11 -0.33 0.47 0.54 0.24 0.00 0.00 174.94 175.98 1x7i s VAL 230 N -3.01 5.00 -0.66 8.37 0.11 -1.26 -1.25 120.40 127.71 1x7i s VAL 230 Ca 0.29 0.50 -0.18 0.00 -2.93 0.00 0.00 61.98 59.66 1x7i s VAL 230 Cb 0.03 -3.66 0.13 0.00 -1.53 0.00 0.00 36.38 31.35 1x7i s VAL 230 CO 0.11 0.15 0.73 -0.62 -3.33 0.00 0.00 175.10 172.15 1x7i s ASP 231 N -1.99 6.32 0.46 3.54 -1.08 0.23 -4.91 116.67 119.23 1x7i s ASP 231 Ca 0.39 -1.73 0.14 0.00 -0.52 0.00 0.00 52.55 50.83 1x7i s ASP 231 Cb -0.13 -2.29 1.08 0.00 -1.46 0.00 0.00 42.92 40.12 1x7i s ASP 231 CO 0.20 -1.00 2.03 1.23 0.52 0.00 0.00 175.17 178.15 1x7i h GLY 232 N 9.56 0.39 1.45 2.66 0.00 -1.90 -0.94 103.07 114.28 1x7i h GLY 232 Ca -0.19 -0.13 -0.11 0.00 0.00 0.00 0.00 47.33 46.91 1x7i h GLY 232 CO 1.04 0.09 -0.24 0.00 0.00 0.00 0.00 176.54 177.43 1x7i h ALA 233 N 1.77 0.97 -0.36 3.60 0.00 -1.96 -1.00 119.26 122.29 1x7i h ALA 233 Ca 0.19 -0.36 -0.13 0.00 0.00 0.00 0.00 54.91 54.61 1x7i h ALA 233 Cb 0.36 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 1x7i h ALA 233 CO -0.04 0.60 -0.30 0.00 0.00 0.00 0.00 179.25 179.51 1x7i h ALA 234 N 1.18 0.80 -0.17 0.00 0.00 -1.55 0.92 119.26 120.43 1x7i h ALA 234 Ca 0.08 -0.41 -0.01 0.00 0.00 0.00 0.00 54.91 54.57 1x7i h ALA 234 Cb 0.71 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 1x7i h ALA 234 CO 0.05 0.65 0.07 0.28 0.00 0.00 0.00 179.25 180.30 1x7i h VAL 235 N 0.66 1.16 -0.71 0.00 2.07 -1.03 -1.19 116.25 117.19 1x7i h VAL 235 Ca 0.08 -0.48 0.00 0.00 0.82 0.00 0.00 66.70 67.12 1x7i h VAL 235 Cb 0.83 1.16 -0.03 0.00 -1.52 0.00 0.00 31.29 31.73 1x7i h VAL 235 CO 0.07 0.15 0.46 0.00 0.02 0.00 0.00 177.57 178.27 1x7i h ALA 236 N 0.91 0.91 -0.54 1.67 0.00 -0.97 -1.51 119.26 119.72 1x7i h ALA 236 Ca 0.06 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 1x7i h ALA 236 Cb 0.18 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 17.65 1x7i h ALA 236 CO -0.00 0.35 0.32 1.49 0.00 0.00 0.00 179.25 181.40 1x7i h GLU 237 N 0.97 0.74 -0.61 0.00 4.81 -0.58 -0.67 114.58 119.23 1x7i h GLU 237 Ca 0.26 -0.07 -0.09 0.00 -0.13 0.00 0.00 59.36 59.33 1x7i h GLU 237 Cb -0.08 -0.15 -0.02 0.00 0.63 0.00 0.00 28.75 29.12 1x7i h GLU 237 CO -0.05 0.54 0.04 0.52 -0.73 0.00 0.00 179.01 179.32 1x7i h MET 238 N 0.72 1.05 -0.65 1.92 2.86 -0.91 -1.45 114.93 118.47 1x7i h MET 238 Ca 0.19 -0.32 -0.05 0.00 -2.06 0.00 0.00 59.70 57.47 1x7i h MET 238 Cb -0.01 -0.11 -0.03 0.00 0.06 0.00 0.00 31.60 31.52 1x7i h MET 238 CO -0.04 1.01 0.22 -0.22 1.06 0.00 0.00 176.91 178.95 1x7i h LYS 239 N 0.96 0.97 -0.51 1.72 1.63 -1.00 -1.15 116.57 119.19 1x7i h LYS 239 Ca 0.18 -0.18 -0.02 0.00 -0.85 0.00 0.00 60.65 59.78 1x7i h LYS 239 Cb 0.51 -0.16 -0.02 0.00 -0.60 0.00 0.00 32.23 31.96 1x7i h LYS 239 CO 0.02 0.82 0.25 0.78 -3.45 0.00 0.00 179.45 177.88 1x7i h GLY 240 N 1.04 0.79 1.01 5.01 0.00 -0.73 0.13 103.07 110.32 1x7i h GLY 240 Ca 0.22 -0.39 0.01 0.00 0.00 0.00 0.00 47.33 47.16 1x7i h GLY 240 CO -0.01 0.37 0.63 -2.22 0.00 0.00 0.00 176.54 175.31 1x7i h ILE 241 N 0.68 1.25 -0.42 2.60 2.04 -0.72 -0.20 117.51 122.74 1x7i h ILE 241 Ca 0.18 -0.46 -0.07 0.00 1.00 0.00 0.00 64.86 65.50 1x7i h ILE 241 Cb 0.11 -0.16 -0.01 0.00 -0.74 0.00 0.00 36.82 36.02 1x7i h ILE 241 CO -0.02 0.24 -0.00 0.40 0.00 0.00 0.00 178.15 178.77 1x7i h ILE 242 N 1.31 1.26 -0.05 -0.67 2.04 -0.74 -1.79 117.51 118.86 1x7i h ILE 242 Ca 0.35 -1.03 -0.00 0.00 1.00 0.00 0.00 64.86 65.18 1x7i h ILE 242 Cb -0.14 1.10 -0.00 0.00 -0.74 0.00 0.00 36.82 37.04 1x7i h ILE 242 CO -0.07 0.35 0.02 -0.33 0.00 0.00 0.00 178.15 178.12 1x7i h GLU 243 N 0.57 0.08 0.00 2.37 5.08 -0.45 -2.98 114.58 119.25 1x7i h GLU 243 Ca 0.12 -0.01 -0.05 0.00 -1.00 0.00 0.00 59.36 58.41 1x7i h GLU 243 Cb 0.49 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.72 1x7i h GLU 243 CO 0.02 0.19 -0.26 0.00 -1.00 0.00 0.00 179.01 177.96 1x7i h ARG 244 N -0.05 0.00 -0.90 2.33 3.08 -1.04 -3.08 114.38 114.72 1x7i h ARG 244 Ca 0.02 0.00 0.04 0.00 0.07 0.00 0.00 59.98 60.10 1x7i h ARG 244 Cb 0.14 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 30.13 1x7i h ARG 244 CO -0.00 0.26 0.58 1.25 -1.07 0.00 0.00 179.97 180.99 1x7i h HIS 245 N 0.00 1.09 -0.50 3.04 2.76 -1.16 -1.65 115.15 118.73 1x7i h HIS 245 Ca -0.00 0.03 0.00 0.00 -2.20 0.00 0.00 60.37 58.20 1x7i h HIS 245 Cb 0.47 -0.36 0.00 0.00 1.55 0.00 0.00 27.41 29.07 1x7i h HIS 245 CO 0.00 0.62 0.00 0.00 -1.30 0.00 0.00 177.93 177.25 1x7i n GLN 246 N -4.52 3.91 0.00 5.26 -0.00 -1.17 -4.35 117.38 116.52 1x7i n GLN 246 Ca 0.11 -2.53 0.00 0.00 -0.00 0.00 0.00 57.00 54.58 1x7i n GLN 246 Cb 0.09 -2.02 0.00 0.00 -0.00 0.00 0.00 30.24 28.31 1x7i n GLN 246 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1x7i n ALA 247 N 0.65 2.34 0.00 2.61 0.00 -0.95 -5.09 120.51 120.07 1x7i n ALA 247 Ca 0.22 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.66 1x7i n ALA 247 Cb 0.94 0.40 0.00 0.00 0.00 0.00 0.00 19.45 20.80 1x7i n ALA 247 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13