#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i6t h GLN 4 N 0.00 0.00 -0.68 -0.67 1.08 -2.01 -1.54 115.11 111.29 3i6t h GLN 4 Ca 0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 3i6t h GLN 4 Cb 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.43 3i6t h GLN 4 CO 0.00 0.00 0.00 -1.13 -0.95 0.00 0.00 178.83 176.75 3i6t n SER 5 N -2.67 3.81 -4.77 1.46 3.41 -1.26 -1.45 113.62 112.16 3i6t n SER 5 Ca 0.00 -2.00 -0.40 0.00 -0.26 0.00 0.00 58.87 56.22 3i6t n SER 5 Cb 0.19 -0.45 0.01 0.00 -0.26 0.00 0.00 64.21 63.70 3i6t n SER 5 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3i6t s GLN 6 N -1.10 3.79 0.44 4.33 -2.07 -0.58 -4.60 119.66 119.86 3i6t s GLN 6 Ca 0.47 2.32 -0.03 0.00 -1.82 0.00 0.00 55.36 56.30 3i6t s GLN 6 Cb 0.25 -2.69 -0.03 0.00 -1.09 0.00 0.00 33.01 29.44 3i6t s GLN 6 CO 0.33 -0.69 0.70 0.96 -1.32 0.00 0.00 175.29 175.27 3i6t s ILE 7 N -1.23 4.89 -0.28 3.63 -5.25 -1.26 -1.31 121.20 120.39 3i6t s ILE 7 Ca 0.59 -0.07 -0.23 0.00 -0.99 0.00 0.00 60.65 59.95 3i6t s ILE 7 Cb -0.41 -3.83 -0.00 0.00 2.95 0.00 0.00 42.46 41.16 3i6t s ILE 7 CO 0.53 -0.71 0.77 -0.63 -1.79 0.00 0.00 174.94 173.11 3i6t s ILE 8 N -2.59 4.84 -0.29 8.37 1.01 0.04 -1.11 121.20 131.47 3i6t s ILE 8 Ca 0.45 1.26 0.11 0.00 0.00 0.00 0.00 60.65 62.47 3i6t s ILE 8 Cb -0.10 -4.10 -0.14 0.00 0.01 0.00 0.00 42.46 38.13 3i6t s ILE 8 CO 0.41 -0.16 0.36 0.00 0.00 0.00 0.00 174.94 175.56 3i6t n ALA 9 N 6.07 2.96 -2.86 9.38 0.00 0.16 0.07 120.51 136.30 3i6t n ALA 9 Ca 0.03 -0.29 -0.13 0.00 0.00 0.00 0.00 53.44 53.06 3i6t n ALA 9 Cb 0.48 -0.38 -0.13 0.00 0.00 0.00 0.00 19.45 19.42 3i6t n ALA 9 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 3i6t s GLY 10 N -2.56 0.28 -0.25 0.00 0.00 -0.66 -4.95 107.32 99.17 3i6t s GLY 10 Ca 0.00 -0.42 -0.02 0.00 0.00 0.00 0.00 44.72 44.29 3i6t s GLY 10 CO 0.45 -0.43 0.35 -0.12 0.00 0.00 0.00 173.10 173.34 3i6t s PHE 11 N -0.74 -0.72 -0.04 1.90 5.36 -1.25 -1.08 117.98 121.40 3i6t s PHE 11 Ca -0.06 0.52 0.03 0.00 -0.96 0.00 0.00 56.93 56.47 3i6t s PHE 11 Cb -0.06 -0.13 0.00 0.00 -0.34 0.00 0.00 43.02 42.49 3i6t s PHE 11 CO -0.00 -0.77 -0.13 0.99 -1.46 0.00 0.00 175.22 173.84 3i6t s THR 12 N 2.49 1.14 0.03 0.12 2.01 -0.33 -4.99 115.64 116.11 3i6t s THR 12 Ca 0.11 -0.55 0.09 0.00 0.31 0.00 0.00 61.69 61.64 3i6t s THR 12 Cb -0.15 -0.99 -0.03 0.00 0.01 0.00 0.00 72.50 71.34 3i6t s THR 12 CO -0.20 0.34 -0.25 -0.76 -0.69 0.00 0.00 174.62 173.06 3i6t s LEU 13 N 0.14 2.20 -0.07 4.42 1.43 -1.26 -0.54 118.68 124.99 3i6t s LEU 13 Ca -0.04 -0.55 0.03 0.00 -1.03 0.00 0.00 54.13 52.54 3i6t s LEU 13 Cb -0.10 -1.32 0.01 0.00 0.03 0.00 0.00 46.19 44.80 3i6t s LEU 13 CO 0.01 0.27 -0.15 0.26 0.23 0.00 0.00 176.35 176.98 3i6t s TRP 14 N -0.78 1.68 -0.37 0.29 0.51 -0.13 -4.98 118.94 115.16 3i6t s TRP 14 Ca 0.12 -0.61 -0.17 0.00 -2.12 0.00 0.00 56.10 53.32 3i6t s TRP 14 Cb -0.10 -1.19 0.00 0.00 -0.81 0.00 0.00 33.47 31.37 3i6t s TRP 14 CO 0.02 -0.28 0.43 -1.58 -0.51 0.00 0.00 176.95 175.03 3i6t s HIS 15 N 0.51 3.19 0.13 -1.98 5.65 -1.26 -0.80 115.29 120.72 3i6t s HIS 15 Ca -0.14 -0.06 0.04 0.00 0.25 0.00 0.00 55.06 55.15 3i6t s HIS 15 Cb -0.15 -2.82 -0.04 0.00 -1.18 0.00 0.00 32.58 28.39 3i6t s HIS 15 CO 0.04 -0.55 0.14 -0.51 -0.65 0.00 0.00 174.74 173.21 3i6t s LEU 16 N 2.18 3.90 -0.15 8.88 1.43 0.00 -1.20 118.68 133.72 3i6t s LEU 16 Ca 0.14 -0.03 0.01 0.00 -1.03 0.00 0.00 54.13 53.22 3i6t s LEU 16 Cb -0.16 -2.53 0.02 0.00 0.03 0.00 0.00 46.19 43.55 3i6t s LEU 16 CO 0.13 0.11 -0.15 -0.55 0.23 0.00 0.00 176.35 176.12 3i6t s SER 17 N -2.82 2.72 -0.22 2.29 0.15 -0.37 -2.26 113.70 113.19 3i6t s SER 17 Ca 0.31 -0.50 -0.01 0.00 0.70 0.00 0.00 55.95 56.45 3i6t s SER 17 Cb -0.11 -1.21 0.02 0.00 -1.71 0.00 0.00 66.02 63.00 3i6t s SER 17 CO 0.24 -0.03 -0.11 -0.76 1.20 0.00 0.00 173.24 173.78 3i6t s LEU 18 N 1.36 2.78 0.54 3.45 1.43 0.31 -4.78 118.68 123.78 3i6t s LEU 18 Ca 0.03 -0.72 -0.21 0.00 -1.03 0.00 0.00 54.13 52.20 3i6t s LEU 18 Cb -0.13 -1.61 -0.05 0.00 0.03 0.00 0.00 46.19 44.43 3i6t s LEU 18 CO -0.09 -0.06 1.24 -2.84 0.23 0.00 0.00 176.35 174.82 3i6t s PRO 19 N 1.33 3.22 0.26 1.29 0.02 -1.26 -0.09 135.00 139.77 3i6t s PRO 19 Ca 0.02 1.93 0.07 0.00 0.02 0.00 0.00 61.00 63.05 3i6t s PRO 19 Cb -0.15 -2.14 -0.05 0.00 0.02 0.00 0.00 34.50 32.17 3i6t s PRO 19 CO -0.07 -1.03 -0.09 0.14 -0.33 0.00 0.00 177.00 175.61 3i6t s VAL 20 N -1.50 1.74 -0.82 3.83 -7.23 -1.26 -1.48 120.40 113.69 3i6t s VAL 20 Ca 0.72 -2.17 -0.20 0.00 -1.81 0.00 0.00 61.98 58.52 3i6t s VAL 20 Cb -0.33 -2.32 -0.14 0.00 0.56 0.00 0.00 36.38 34.16 3i6t s VAL 20 CO 0.37 -0.39 1.96 0.35 -0.31 0.00 0.00 175.10 177.08 3i6t n THR 21 N -0.53 1.96 0.00 5.32 -2.24 0.11 -4.74 114.28 114.16 3i6t n THR 21 Ca -0.06 -1.63 0.00 0.00 -2.27 0.00 0.00 64.05 60.09 3i6t n THR 21 Cb 0.62 -2.31 0.00 0.00 -2.10 0.00 0.00 70.33 66.54 3i6t n THR 21 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3i6t n GLY 33 N 4.41 -2.14 3.19 3.38 0.00 -1.26 -5.14 105.19 107.63 3i6t n GLY 33 Ca 0.49 -1.49 -0.10 0.00 0.00 0.00 0.00 46.02 44.91 3i6t n GLY 33 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i6t s ALA 34 N -2.77 -0.37 -0.02 4.61 0.00 -1.26 -4.44 121.76 117.51 3i6t s ALA 34 Ca 0.00 -0.31 0.07 0.00 0.00 0.00 0.00 51.96 51.72 3i6t s ALA 34 Cb 0.00 0.31 -0.02 0.00 0.00 0.00 0.00 23.12 23.41 3i6t s ALA 34 CO 0.00 -0.38 -0.22 0.14 0.00 0.00 0.00 175.76 175.29 3i6t s VAL 35 N -2.74 2.38 -0.18 0.00 -7.23 0.87 -4.88 120.40 108.63 3i6t s VAL 35 Ca -0.04 -1.01 -0.08 0.00 -1.81 0.00 0.00 61.98 59.04 3i6t s VAL 35 Cb -0.00 -1.87 -0.04 0.00 0.56 0.00 0.00 36.38 35.02 3i6t s VAL 35 CO -0.05 0.56 0.10 -1.61 -0.31 0.00 0.00 175.10 173.79 3i6t s GLU 36 N -0.71 3.94 0.21 4.82 2.02 -1.26 -0.53 118.70 127.19 3i6t s GLU 36 Ca 0.11 -0.27 0.02 0.00 0.02 0.00 0.00 54.97 54.85 3i6t s GLU 36 Cb -0.10 -3.27 -0.05 0.00 0.10 0.00 0.00 34.13 30.81 3i6t s GLU 36 CO -0.00 0.38 0.03 0.14 0.02 0.00 0.00 175.26 175.83 3i6t s VAL 37 N 0.11 0.66 -0.09 2.63 -7.23 -0.96 -4.44 120.40 111.08 3i6t s VAL 37 Ca 0.07 -1.99 0.03 0.00 -1.81 0.00 0.00 61.98 58.28 3i6t s VAL 37 Cb -0.12 -2.31 -0.01 0.00 0.56 0.00 0.00 36.38 34.50 3i6t s VAL 37 CO -0.00 -0.30 -0.20 -0.69 -0.31 0.00 0.00 175.10 173.60 3i6t s VAL 38 N -3.68 2.49 -0.09 1.32 1.01 -0.11 -0.82 120.40 120.53 3i6t s VAL 38 Ca 0.29 -0.89 0.00 0.00 0.00 0.00 0.00 61.98 61.39 3i6t s VAL 38 Cb 0.07 -1.98 -0.03 0.00 0.00 0.00 0.00 36.38 34.44 3i6t s VAL 38 CO 0.08 0.56 -0.07 -0.69 0.00 0.00 0.00 175.10 174.97 3i6t s VAL 39 N 0.06 3.63 -0.10 2.92 1.01 0.02 -0.19 120.40 127.75 3i6t s VAL 39 Ca -0.08 -0.49 0.01 0.00 0.00 0.00 0.00 61.98 61.42 3i6t s VAL 39 Cb -0.15 -2.50 -0.02 0.00 0.00 0.00 0.00 36.38 33.70 3i6t s VAL 39 CO 0.05 0.57 -0.13 -0.22 0.00 0.00 0.00 175.10 175.37 3i6t s LEU 40 N -0.45 2.74 -0.11 3.92 2.96 0.31 -0.96 118.68 127.10 3i6t s LEU 40 Ca 0.07 -0.27 0.03 0.00 -0.22 0.00 0.00 54.13 53.74 3i6t s LEU 40 Cb -0.12 -1.59 -0.01 0.00 0.50 0.00 0.00 46.19 44.97 3i6t s LEU 40 CO 0.02 0.24 -0.20 -0.60 -1.32 0.00 0.00 176.35 174.49 3i6t s ARG 41 N -0.08 3.11 -0.04 1.98 3.52 0.29 -0.85 118.95 126.90 3i6t s ARG 41 Ca -0.02 -0.81 -0.00 0.00 -0.13 0.00 0.00 55.73 54.77 3i6t s ARG 41 Cb -0.14 -2.41 -0.04 0.00 -1.56 0.00 0.00 34.95 30.81 3i6t s ARG 41 CO 0.04 0.22 0.01 -0.51 -0.81 0.00 0.00 175.30 174.25 3i6t s LEU 42 N 0.27 3.59 -0.09 -0.88 1.43 0.25 -1.19 118.68 122.08 3i6t s LEU 42 Ca -0.14 0.07 0.02 0.00 -1.03 0.00 0.00 54.13 53.05 3i6t s LEU 42 Cb -0.17 -1.97 0.01 0.00 0.03 0.00 0.00 46.19 44.10 3i6t s LEU 42 CO 0.07 0.32 -0.14 -1.58 0.23 0.00 0.00 176.35 175.25 3i6t s GLN 43 N -1.31 2.02 0.61 1.70 0.74 -0.24 -1.48 119.66 121.70 3i6t s GLN 43 Ca 0.17 -0.51 -0.06 0.00 0.05 0.00 0.00 55.36 55.01 3i6t s GLN 43 Cb -0.11 -1.68 0.01 0.00 1.10 0.00 0.00 33.01 32.32 3i6t s GLN 43 CO 0.07 -0.00 0.93 0.00 -0.55 0.00 0.00 175.29 175.74 3i6t s ALA 44 N 0.79 3.25 0.35 1.58 0.00 0.29 0.39 121.76 128.42 3i6t s ALA 44 Ca -0.11 -0.68 0.13 0.00 0.00 0.00 0.00 51.96 51.29 3i6t s ALA 44 Cb -0.16 -2.64 0.95 0.00 0.00 0.00 0.00 23.12 21.27 3i6t s ALA 44 CO 0.02 -0.87 1.76 0.22 0.00 0.00 0.00 175.76 176.89 3i6t h ASP 45 N -0.25 0.60 0.95 0.00 -0.00 -1.44 0.10 116.42 116.38 3i6t h ASP 45 Ca -0.45 0.10 0.00 0.00 -0.00 0.00 0.00 57.03 56.68 3i6t h ASP 45 Cb 1.26 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 40.59 3i6t h ASP 45 CO 0.61 0.14 0.00 0.77 -0.00 0.00 0.00 179.24 180.76 3i6t h SER 46 N 0.54 0.00 0.00 2.28 4.64 -1.93 -3.47 113.55 115.61 3i6t h SER 46 Ca 0.60 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.92 3i6t h SER 46 Cb 1.25 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.34 3i6t h SER 46 CO -0.36 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.21 3i6t n GLY 47 N 0.35 0.57 3.74 -0.77 0.00 0.02 -5.08 105.19 104.02 3i6t n GLY 47 Ca 0.03 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.68 3i6t n GLY 47 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i6t s ALA 48 N -2.15 2.45 0.16 4.61 0.00 -1.26 -4.72 121.76 120.85 3i6t s ALA 48 Ca 0.00 1.15 0.07 0.00 0.00 0.00 0.00 51.96 53.17 3i6t s ALA 48 Cb 0.00 -3.52 -0.04 0.00 0.00 0.00 0.00 23.12 19.56 3i6t s ALA 48 CO 0.00 -1.44 -0.14 0.14 0.00 0.00 0.00 175.76 174.32 3i6t s VAL 49 N -1.46 1.52 -0.01 0.00 -7.23 -1.26 -0.54 120.40 111.42 3i6t s VAL 49 Ca 0.81 -1.97 -0.08 0.00 -1.81 0.00 0.00 61.98 58.92 3i6t s VAL 49 Cb -0.35 -1.81 0.01 0.00 0.56 0.00 0.00 36.38 34.79 3i6t s VAL 49 CO 0.37 -0.52 0.16 -0.83 -0.31 0.00 0.00 175.10 173.98 3i6t s GLY 50 N -2.89 0.01 0.11 2.32 0.00 -0.55 -4.41 107.32 101.90 3i6t s GLY 50 Ca 0.16 -0.03 0.08 0.00 0.00 0.00 0.00 44.72 44.93 3i6t s GLY 50 CO 0.04 -0.17 -0.20 -0.19 0.00 0.00 0.00 173.10 172.59 3i6t s TYR 51 N -1.26 1.72 0.05 1.90 1.51 -1.26 -0.58 117.35 119.42 3i6t s TYR 51 Ca -0.13 -0.43 -0.04 0.00 -1.01 0.00 0.00 57.07 55.45 3i6t s TYR 51 Cb -0.07 -0.93 -0.02 0.00 -0.11 0.00 0.00 41.96 40.83 3i6t s TYR 51 CO 0.02 0.20 0.06 0.20 -1.11 0.00 0.00 175.55 174.92 3i6t s GLY 52 N -2.00 0.26 -0.03 0.71 0.00 -0.03 -3.47 107.32 102.76 3i6t s GLY 52 Ca 0.07 -0.77 0.07 0.00 0.00 0.00 0.00 44.72 44.08 3i6t s GLY 52 CO 0.04 -0.90 -0.24 1.85 0.00 0.00 0.00 173.10 173.85 3i6t s GLU 53 N -3.11 2.10 -0.16 2.90 2.12 -1.26 -0.53 118.70 120.75 3i6t s GLU 53 Ca -0.01 -0.86 -0.02 0.00 0.36 0.00 0.00 54.97 54.45 3i6t s GLU 53 Cb 0.02 -1.94 -0.01 0.00 0.26 0.00 0.00 34.13 32.45 3i6t s GLU 53 CO -0.07 0.47 -0.09 0.00 -0.54 0.00 0.00 175.26 175.03 3i6t s ALA 54 N -0.44 2.73 -0.56 6.30 0.00 0.73 -3.85 121.76 126.67 3i6t s ALA 54 Ca 0.05 -0.96 0.05 0.00 0.00 0.00 0.00 51.96 51.11 3i6t s ALA 54 Cb -0.11 -1.40 0.19 0.00 0.00 0.00 0.00 23.12 21.81 3i6t s ALA 54 CO 0.00 0.05 0.48 0.43 0.00 0.00 0.00 175.76 176.73 3i6t n SER 55 N 3.89 1.61 -4.81 0.00 7.64 -1.26 -0.93 113.62 119.75 3i6t n SER 55 Ca -0.18 -2.90 -0.33 0.00 1.01 0.00 0.00 58.87 56.47 3i6t n SER 55 Cb 0.52 -0.66 -0.02 0.00 -1.01 0.00 0.00 64.21 63.04 3i6t n SER 55 CO 0.00 0.00 0.00 -2.84 -3.01 0.00 0.00 175.04 169.19 3i6t s PRO 56 N -1.07 3.70 -0.18 1.43 0.02 -1.26 -4.59 135.00 133.05 3i6t s PRO 56 Ca 0.31 1.16 -0.00 0.00 0.02 0.00 0.00 61.00 62.49 3i6t s PRO 56 Cb 0.04 -2.09 0.04 0.00 0.02 0.00 0.00 34.50 32.51 3i6t s PRO 56 CO -0.15 -0.49 -0.07 -0.46 -0.33 0.00 0.00 177.00 175.49 3i6t s TRP 57 N -2.37 1.96 0.43 6.54 -0.00 -1.23 -4.85 118.94 119.43 3i6t s TRP 57 Ca 0.63 -1.27 0.11 0.00 -0.00 0.00 0.00 56.10 55.57 3i6t s TRP 57 Cb -0.14 -1.44 0.97 0.00 -0.00 0.00 0.00 33.47 32.87 3i6t s TRP 57 CO 0.29 -0.66 2.03 -0.24 -0.00 0.00 0.00 176.95 178.37 3i6t h VAL 58 N 6.38 1.00 0.00 5.86 3.04 -1.92 0.24 116.25 130.85 3i6t h VAL 58 Ca -0.26 -0.15 0.00 0.00 -1.01 0.00 0.00 66.70 65.28 3i6t h VAL 58 Cb 1.11 0.52 0.00 0.00 -2.01 0.00 0.00 31.29 30.90 3i6t h VAL 58 CO 0.43 0.08 0.00 1.33 -1.01 0.00 0.00 177.57 178.40 3i6t n VAL 59 N -4.48 0.50 0.00 1.51 0.24 -1.26 -3.90 118.33 110.95 3i6t n VAL 59 Ca 0.06 -0.21 0.00 0.00 -2.04 0.00 0.00 64.34 62.14 3i6t n VAL 59 Cb 0.20 -0.59 0.00 0.00 -1.47 0.00 0.00 33.84 31.98 3i6t n VAL 59 CO 0.00 0.00 0.00 0.49 -2.14 0.00 0.00 176.83 175.18 3i6t n PHE 60 N -2.12 0.00 -0.07 6.34 3.72 -0.45 -4.89 117.46 119.99 3i6t n PHE 60 Ca 0.06 0.00 -0.09 0.00 -0.05 0.00 0.00 57.45 57.36 3i6t n PHE 60 Cb 0.41 0.21 -0.15 0.00 -0.94 0.00 0.00 39.48 39.01 3i6t n PHE 60 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 176.76 176.96 3i6t n THR 61 N -2.71 1.48 0.00 4.37 -2.24 -0.05 -5.02 114.28 110.10 3i6t n THR 61 Ca 0.00 -0.83 0.00 0.00 -2.27 0.00 0.00 64.05 60.95 3i6t n THR 61 Cb 0.27 -0.71 0.00 0.00 -2.10 0.00 0.00 70.33 67.79 3i6t n THR 61 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3i6t n GLY 62 N 1.66 3.36 3.83 3.38 0.00 -1.02 -4.54 105.19 111.87 3i6t n GLY 62 Ca -0.26 -1.74 -0.31 0.00 0.00 0.00 0.00 46.02 43.71 3i6t n GLY 62 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3i6t s SER 63 N 0.00 5.53 0.32 1.61 1.04 -1.26 -3.15 113.70 117.80 3i6t s SER 63 Ca 0.00 1.53 0.01 0.00 0.48 0.00 0.00 55.95 57.96 3i6t s SER 63 Cb 0.00 -2.43 0.53 0.00 0.10 0.00 0.00 66.02 64.22 3i6t s SER 63 CO 0.00 -1.33 1.94 1.62 0.98 0.00 0.00 173.24 176.45 3i6t h VAL 64 N -0.64 1.19 -0.58 5.02 3.04 -1.94 -2.17 116.25 120.16 3i6t h VAL 64 Ca -0.44 -0.50 -0.07 0.00 -1.01 0.00 0.00 66.70 64.68 3i6t h VAL 64 Cb 1.21 0.38 -0.03 0.00 -2.01 0.00 0.00 31.29 30.84 3i6t h VAL 64 CO 0.59 0.22 0.09 -0.33 -1.01 0.00 0.00 177.57 177.12 3i6t h GLU 65 N 0.86 0.94 -0.38 4.17 3.07 -1.99 0.12 114.58 121.37 3i6t h GLU 65 Ca 0.22 -0.23 -0.03 0.00 -0.50 0.00 0.00 59.36 58.81 3i6t h GLU 65 Cb 0.04 -0.12 -0.02 0.00 -0.84 0.00 0.00 28.75 27.82 3i6t h GLU 65 CO -0.03 0.87 0.11 0.00 -1.40 0.00 0.00 179.01 178.55 3i6t h ALA 66 N 1.21 0.50 -0.45 3.43 0.00 -1.82 -1.31 119.26 120.82 3i6t h ALA 66 Ca 0.18 -0.18 -0.06 0.00 0.00 0.00 0.00 54.91 54.86 3i6t h ALA 66 Cb 0.39 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 3i6t h ALA 66 CO 0.01 0.16 0.05 1.15 0.00 0.00 0.00 179.25 180.61 3i6t h THR 67 N 0.47 1.25 -0.50 0.00 2.02 -1.16 -0.57 112.91 114.42 3i6t h THR 67 Ca 0.12 -0.95 0.02 0.00 0.77 0.00 0.00 66.41 66.37 3i6t h THR 67 Cb 0.28 1.00 -0.03 0.00 -1.74 0.00 0.00 68.15 67.66 3i6t h THR 67 CO -0.00 0.33 0.30 0.22 0.37 0.00 0.00 175.52 176.74 3i6t h TYR 68 N 0.61 0.56 -0.47 3.16 3.20 -0.62 -2.25 116.97 121.16 3i6t h TYR 68 Ca 0.13 0.02 -0.11 0.00 3.14 0.00 0.00 58.73 61.91 3i6t h TYR 68 Cb 0.42 -0.18 -0.02 0.00 1.54 0.00 0.00 36.73 38.49 3i6t h TYR 68 CO 0.03 0.33 -0.13 0.00 -1.64 0.00 0.00 178.16 176.75 3i6t h ALA 69 N 1.22 0.88 -0.40 1.82 0.00 -1.13 0.99 119.26 122.64 3i6t h ALA 69 Ca 0.20 -0.34 0.04 0.00 0.00 0.00 0.00 54.91 54.81 3i6t h ALA 69 Cb 0.01 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 17.58 3i6t h ALA 69 CO -0.09 0.64 0.16 0.00 0.00 0.00 0.00 179.25 179.96 3i6t h ALA 70 N 1.06 0.48 0.06 0.00 0.00 -0.80 -1.01 119.26 119.05 3i6t h ALA 70 Ca 0.12 0.04 -0.00 0.00 0.00 0.00 0.00 54.91 55.07 3i6t h ALA 70 Cb 0.65 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.44 3i6t h ALA 70 CO 0.05 -0.22 -0.03 -0.07 0.00 0.00 0.00 179.25 178.97 3i6t h LEU 71 N 0.33 -0.07 -0.29 0.00 3.38 -1.05 0.42 115.31 118.02 3i6t h LEU 71 Ca 0.18 -0.34 -0.07 0.00 0.09 0.00 0.00 57.88 57.74 3i6t h LEU 71 Cb 0.14 0.02 -0.01 0.00 0.09 0.00 0.00 40.66 40.90 3i6t h LEU 71 CO -0.17 0.31 -0.10 -0.78 0.09 0.00 0.00 178.44 177.80 3i6t h ASP 72 N -0.46 0.59 0.02 -0.43 3.58 -0.65 -0.81 116.42 118.26 3i6t h ASP 72 Ca -0.01 -0.38 -0.38 0.00 0.42 0.00 0.00 57.03 56.68 3i6t h ASP 72 Cb 0.41 -0.16 -0.06 0.00 1.72 0.00 0.00 39.33 41.23 3i6t h ASP 72 CO 0.01 0.84 -2.42 -1.14 -2.88 0.00 0.00 179.24 173.66 3i6t n ARG 73 N -4.46 0.66 -0.07 0.28 0.63 -0.40 -4.50 116.66 108.81 3i6t n ARG 73 Ca -0.03 0.14 -0.08 0.00 -0.92 0.00 0.00 57.85 56.96 3i6t n ARG 73 Cb 0.34 -1.54 -0.10 0.00 0.45 0.00 0.00 32.46 31.61 3i6t n ARG 73 CO 0.00 0.00 0.00 0.66 -2.51 0.00 0.00 177.63 175.78 3i6t n TYR 74 N -3.22 0.00 0.01 -0.14 4.02 -1.04 -4.51 117.16 112.28 3i6t n TYR 74 Ca -0.43 0.00 -0.22 0.00 -0.01 0.00 0.00 57.90 57.24 3i6t n TYR 74 Cb 1.02 -0.68 -0.14 0.00 -0.02 0.00 0.00 39.34 39.52 3i6t n TYR 74 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 176.86 175.78 3i6t h LEU 75 N 0.00 0.43 -0.85 7.72 3.38 -0.92 -3.39 115.31 121.68 3i6t h LEU 75 Ca -0.38 -0.92 0.16 0.00 0.09 0.00 0.00 57.88 56.83 3i6t h LEU 75 Cb 1.77 -0.14 -0.15 0.00 0.09 0.00 0.00 40.66 42.23 3i6t h LEU 75 CO -0.01 1.81 -0.29 -0.09 0.09 0.00 0.00 178.44 179.95 3i6t h ARG 76 N -0.03 -0.03 0.00 1.13 2.43 -1.37 0.21 114.38 116.72 3i6t h ARG 76 Ca -0.40 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.78 3i6t h ARG 76 Cb 1.98 0.01 0.00 0.00 -0.42 0.00 0.00 29.97 31.53 3i6t h ARG 76 CO 0.08 -0.02 0.00 -0.35 -1.51 0.00 0.00 179.97 178.17 3i6t n PRO 77 N -5.51 0.18 0.02 0.20 -0.04 -1.26 -1.30 135.00 127.29 3i6t n PRO 77 Ca 0.11 0.41 0.12 0.00 -0.04 0.00 0.00 63.50 64.09 3i6t n PRO 77 Cb 0.41 -1.84 0.11 0.00 -0.04 0.00 0.00 33.50 32.14 3i6t n PRO 77 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 3i6t n LEU 78 N -2.19 0.63 -0.09 1.53 4.77 0.63 -4.49 117.00 117.79 3i6t n LEU 78 Ca 0.02 -0.02 -0.13 0.00 -0.03 0.00 0.00 56.01 55.85 3i6t n LEU 78 Cb 0.23 -0.16 -0.08 0.00 -2.33 0.00 0.00 43.42 41.09 3i6t n LEU 78 CO 0.20 0.08 -1.07 0.52 -1.33 0.00 0.00 177.39 175.78 3i6t n VAL 79 N -1.77 0.98 -1.92 4.08 0.31 -0.57 -4.81 118.33 114.63 3i6t n VAL 79 Ca 0.04 -0.35 -0.42 0.00 -0.01 0.00 0.00 64.34 63.60 3i6t n VAL 79 Cb 0.39 -1.23 -0.03 0.00 -0.91 0.00 0.00 33.84 32.06 3i6t n VAL 79 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 3i6t s LEU 80 N -6.19 4.37 0.00 7.52 1.43 -0.42 -1.88 118.68 123.51 3i6t s LEU 80 Ca -0.23 2.67 0.00 0.00 -1.03 0.00 0.00 54.13 55.54 3i6t s LEU 80 Cb 0.07 -3.60 0.00 0.00 0.03 0.00 0.00 46.19 42.68 3i6t s LEU 80 CO 0.38 -0.82 0.00 0.61 0.23 0.00 0.00 176.35 176.74 3i6t n GLY 81 N 3.39 1.97 3.82 -3.19 0.00 0.11 -4.95 105.19 106.33 3i6t n GLY 81 Ca 0.12 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.82 3i6t n GLY 81 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3i6t s ARG 82 N -0.26 3.30 0.13 1.61 1.81 -0.79 -4.66 118.95 120.09 3i6t s ARG 82 Ca 0.00 1.07 -0.31 0.00 -1.72 0.00 0.00 55.73 54.78 3i6t s ARG 82 Cb 0.00 -2.04 -0.08 0.00 -0.45 0.00 0.00 34.95 32.39 3i6t s ARG 82 CO 0.00 -0.82 1.32 0.00 -0.68 0.00 0.00 175.30 175.13 3i6t s ALA 83 N -2.69 3.53 0.23 2.13 0.00 -1.26 -0.78 121.76 122.92 3i6t s ALA 83 Ca 0.61 1.06 0.17 0.00 0.00 0.00 0.00 51.96 53.80 3i6t s ALA 83 Cb -0.14 -3.50 0.69 0.00 0.00 0.00 0.00 23.12 20.17 3i6t s ALA 83 CO 0.42 -0.55 1.75 -0.24 0.00 0.00 0.00 175.76 177.15 3i6t h VAL 84 N 4.12 1.00 0.00 0.00 3.04 -1.32 -1.62 116.25 121.47 3i6t h VAL 84 Ca -0.43 -1.51 0.00 0.00 -1.01 0.00 0.00 66.70 63.75 3i6t h VAL 84 Cb 1.21 1.89 0.00 0.00 -2.01 0.00 0.00 31.29 32.38 3i6t h VAL 84 CO 0.82 0.39 0.00 1.23 -1.01 0.00 0.00 177.57 179.00 3i6t h GLY 85 N 1.81 0.00 -2.07 3.17 0.00 -1.50 -2.91 103.07 101.58 3i6t h GLY 85 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3i6t h GLY 85 CO 0.05 0.00 0.00 1.22 0.00 0.00 0.00 176.54 177.81 3i6t n ASP 86 N -2.36 2.99 -0.28 0.19 8.00 -0.61 -4.55 116.55 119.94 3i6t n ASP 86 Ca -0.00 -2.39 0.01 0.00 0.71 0.00 0.00 54.79 53.11 3i6t n ASP 86 Cb 0.11 -0.58 0.05 0.00 -0.02 0.00 0.00 41.12 40.69 3i6t n ASP 86 CO 0.00 0.00 0.00 1.57 -0.39 0.00 0.00 177.20 178.38 3i6t n HIS 87 N 0.26 0.09 -0.19 1.24 -0.00 -1.10 -0.59 115.22 114.93 3i6t n HIS 87 Ca 0.12 0.90 -0.08 0.00 -0.00 0.00 0.00 57.72 58.65 3i6t n HIS 87 Cb 0.65 -0.82 0.02 0.00 -0.00 0.00 0.00 29.99 29.84 3i6t n HIS 87 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 3i6t h ALA 88 N 1.14 0.71 -0.36 1.57 0.00 -1.91 -1.79 119.26 118.62 3i6t h ALA 88 Ca 0.28 -0.19 -0.12 0.00 0.00 0.00 0.00 54.91 54.88 3i6t h ALA 88 Cb 0.46 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 3i6t h ALA 88 CO -0.73 0.37 -0.27 0.00 0.00 0.00 0.00 179.25 178.62 3i6t h ALA 89 N 1.03 0.85 -0.86 0.00 0.00 -1.33 -2.53 119.26 116.43 3i6t h ALA 89 Ca 0.17 -0.39 0.07 0.00 0.00 0.00 0.00 54.91 54.77 3i6t h ALA 89 Cb 0.28 -0.14 -0.06 0.00 0.00 0.00 0.00 17.79 17.87 3i6t h ALA 89 CO -0.01 0.63 0.53 0.82 0.00 0.00 0.00 179.25 181.23 3i6t h ILE 90 N 0.64 1.02 -0.01 0.00 2.04 -0.37 -1.84 117.51 118.99 3i6t h ILE 90 Ca 0.08 -0.32 -0.20 0.00 1.00 0.00 0.00 64.86 65.42 3i6t h ILE 90 Cb 0.78 -0.01 -0.01 0.00 -0.74 0.00 0.00 36.82 36.84 3i6t h ILE 90 CO 0.06 0.17 -0.85 0.24 0.00 0.00 0.00 178.15 177.78 3i6t h MET 91 N 0.95 0.27 -0.54 2.37 2.86 -1.25 0.17 114.93 119.75 3i6t h MET 91 Ca 0.38 -0.27 0.00 0.00 -2.06 0.00 0.00 59.70 57.76 3i6t h MET 91 Cb 0.21 0.07 -0.03 0.00 0.06 0.00 0.00 31.60 31.92 3i6t h MET 91 CO -0.19 0.97 0.36 0.93 1.06 0.00 0.00 176.91 180.04 3i6t h GLU 92 N 0.16 0.72 -0.69 1.72 4.39 -1.25 -0.90 114.58 118.73 3i6t h GLU 92 Ca -0.05 -0.05 -0.04 0.00 0.34 0.00 0.00 59.36 59.56 3i6t h GLU 92 Cb 1.46 -0.16 -0.03 0.00 -0.10 0.00 0.00 28.75 29.92 3i6t h GLU 92 CO 0.14 0.48 0.26 -0.44 -1.16 0.00 0.00 179.01 178.28 3i6t h ASP 93 N 0.74 0.96 -0.61 1.42 3.32 -1.03 -2.35 116.42 118.87 3i6t h ASP 93 Ca 0.20 -0.15 -0.04 0.00 0.02 0.00 0.00 57.03 57.06 3i6t h ASP 93 Cb -0.08 -0.25 -0.03 0.00 0.22 0.00 0.00 39.33 39.20 3i6t h ASP 93 CO -0.04 0.87 0.23 0.00 -1.72 0.00 0.00 179.24 178.57 3i6t h ALA 94 N 1.27 0.79 -0.62 3.45 0.00 -0.32 -1.76 119.26 122.07 3i6t h ALA 94 Ca 0.23 -0.18 -0.07 0.00 0.00 0.00 0.00 54.91 54.89 3i6t h ALA 94 Cb 0.22 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 3i6t h ALA 94 CO -0.02 0.42 0.10 0.00 0.00 0.00 0.00 179.25 179.76 3i6t h ARG 95 N 0.85 1.03 0.00 0.00 3.08 -0.99 -2.89 114.38 115.46 3i6t h ARG 95 Ca 0.20 -0.28 -0.02 0.00 0.07 0.00 0.00 59.98 59.96 3i6t h ARG 95 Cb 0.23 -0.12 -0.00 0.00 0.08 0.00 0.00 29.97 30.16 3i6t h ARG 95 CO -0.01 0.96 -0.09 0.00 -1.07 0.00 0.00 179.97 179.75 3i6t h ALA 96 N 1.03 1.11 0.00 0.04 0.00 -1.23 -3.36 119.26 116.86 3i6t h ALA 96 Ca 0.19 -0.09 -0.16 0.00 0.00 0.00 0.00 54.91 54.85 3i6t h ALA 96 Cb 0.43 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.18 3i6t h ALA 96 CO 0.01 0.12 -0.88 0.00 0.00 0.00 0.00 179.25 178.50 3i6t h ALA 97 N 1.91 0.57 -2.77 0.00 0.00 -1.09 -3.45 119.26 114.42 3i6t h ALA 97 Ca -0.00 -0.73 -0.14 0.00 0.00 0.00 0.00 54.91 54.05 3i6t h ALA 97 Cb 0.42 -0.01 -0.27 0.00 0.00 0.00 0.00 17.79 17.93 3i6t h ALA 97 CO 0.01 0.93 -0.33 0.54 0.00 0.00 0.00 179.25 180.40 3i6t s VAL 98 N -2.85 -0.02 0.50 0.00 0.11 -1.25 -5.02 120.40 111.86 3i6t s VAL 98 Ca 0.01 0.08 -0.20 0.00 -2.93 0.00 0.00 61.98 58.94 3i6t s VAL 98 Cb 0.09 -0.54 -0.08 0.00 -1.53 0.00 0.00 36.38 34.31 3i6t s VAL 98 CO 0.78 0.03 1.06 0.00 -3.33 0.00 0.00 175.10 173.64 3i6t s ALA 99 N 1.05 2.84 0.00 1.54 0.00 -1.26 -4.84 121.76 121.09 3i6t s ALA 99 Ca -0.07 0.66 0.00 0.00 0.00 0.00 0.00 51.96 52.55 3i6t s ALA 99 Cb -0.07 -3.28 0.00 0.00 0.00 0.00 0.00 23.12 19.77 3i6t s ALA 99 CO -0.08 -0.41 0.00 0.72 0.00 0.00 0.00 175.76 175.99 3i6t n HIS 100 N -1.02 0.00 -3.88 0.00 -0.00 -1.26 -4.88 115.22 104.18 3i6t n HIS 100 Ca 0.10 0.00 -0.26 0.00 -0.00 0.00 0.00 57.72 57.56 3i6t n HIS 100 Cb 0.52 0.08 0.01 0.00 -0.00 0.00 0.00 29.99 30.60 3i6t n HIS 100 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 3i6t h THR 102 N -1.86 0.65 -0.30 0.00 1.35 -1.86 -2.01 112.91 108.88 3i6t h THR 102 Ca -0.61 -0.35 -0.13 0.00 -0.55 0.00 0.00 66.41 64.76 3i6t h THR 102 Cb 1.37 1.22 -0.00 0.00 -1.73 0.00 0.00 68.15 69.01 3i6t h THR 102 CO 0.63 0.08 -0.33 -0.33 -0.25 0.00 0.00 175.52 175.32 3i6t h GLU 103 N 0.00 0.75 -0.16 4.72 3.07 -1.86 -0.50 114.58 120.60 3i6t h GLU 103 Ca -0.00 -0.41 -0.00 0.00 -0.50 0.00 0.00 59.36 58.45 3i6t h GLU 103 Cb 0.21 0.02 -0.01 0.00 -0.84 0.00 0.00 28.75 28.14 3i6t h GLU 103 CO 0.01 1.03 0.08 0.00 -1.40 0.00 0.00 179.01 178.74 3i6t h ALA 104 N 0.71 0.21 -0.92 3.43 0.00 -1.77 -1.09 119.26 119.83 3i6t h ALA 104 Ca 0.04 -0.06 0.04 0.00 0.00 0.00 0.00 54.91 54.93 3i6t h ALA 104 Cb 0.91 -0.06 -0.06 0.00 0.00 0.00 0.00 17.79 18.58 3i6t h ALA 104 CO 0.08 -0.25 0.59 0.87 0.00 0.00 0.00 179.25 180.54 3i6t h LYS 105 N 0.15 1.09 -0.83 0.00 1.57 -1.26 -2.08 116.57 115.22 3i6t h LYS 105 Ca 0.06 -0.07 -0.02 0.00 -1.87 0.00 0.00 60.65 58.75 3i6t h LYS 105 Cb 0.09 -0.25 -0.04 0.00 0.08 0.00 0.00 32.23 32.11 3i6t h LYS 105 CO -0.01 0.72 0.45 0.00 -0.57 0.00 0.00 179.45 180.05 3i6t h ALA 106 N 1.39 1.23 -0.49 3.86 0.00 -0.73 -0.78 119.26 123.75 3i6t h ALA 106 Ca 0.38 -0.13 -0.02 0.00 0.00 0.00 0.00 54.91 55.14 3i6t h ALA 106 Cb 0.05 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 17.49 3i6t h ALA 106 CO -0.14 0.62 0.23 0.00 0.00 0.00 0.00 179.25 179.97 3i6t h ALA 107 N 1.33 0.63 -0.07 0.00 0.00 -0.57 -0.28 119.26 120.30 3i6t h ALA 107 Ca 0.29 -0.12 -0.00 0.00 0.00 0.00 0.00 54.91 55.08 3i6t h ALA 107 Cb 0.03 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 17.63 3i6t h ALA 107 CO -0.05 0.19 0.04 1.25 0.00 0.00 0.00 179.25 180.68 3i6t h LEU 108 N 0.64 0.10 -0.75 0.00 5.85 -1.16 -0.73 115.31 119.26 3i6t h LEU 108 Ca 0.17 -0.13 0.02 0.00 0.84 0.00 0.00 57.88 58.78 3i6t h LEU 108 Cb 0.12 -0.03 -0.04 0.00 0.37 0.00 0.00 40.66 41.09 3i6t h LEU 108 CO -0.02 0.20 0.49 -0.78 -0.34 0.00 0.00 178.44 177.98 3i6t h ASP 109 N -0.01 0.82 -0.01 1.25 3.58 -1.02 0.37 116.42 121.40 3i6t h ASP 109 Ca 0.03 -0.01 -0.00 0.00 0.42 0.00 0.00 57.03 57.46 3i6t h ASP 109 Cb 0.13 -0.20 -0.00 0.00 1.72 0.00 0.00 39.33 40.98 3i6t h ASP 109 CO -0.00 0.59 0.01 0.74 -2.88 0.00 0.00 179.24 177.69 3i6t h THR 110 N 0.97 1.09 -0.75 2.25 2.02 -0.84 -1.75 112.91 115.90 3i6t h THR 110 Ca 0.28 -0.25 -0.03 0.00 0.77 0.00 0.00 66.41 67.19 3i6t h THR 110 Cb -0.06 1.23 -0.04 0.00 -1.74 0.00 0.00 68.15 67.55 3i6t h THR 110 CO -0.08 0.07 0.36 0.00 0.37 0.00 0.00 175.52 176.23 3i6t h ALA 111 N 0.90 1.22 -0.67 6.16 0.00 -0.81 0.37 119.26 126.43 3i6t h ALA 111 Ca 0.00 -0.15 -0.06 0.00 0.00 0.00 0.00 54.91 54.70 3i6t h ALA 111 Cb 0.10 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 17.57 3i6t h ALA 111 CO -0.00 0.60 0.17 -0.07 0.00 0.00 0.00 179.25 179.95 3i6t h LEU 112 N 1.07 1.00 -0.42 0.00 3.38 -0.80 0.86 115.31 120.40 3i6t h LEU 112 Ca 0.26 -0.23 -0.14 0.00 0.09 0.00 0.00 57.88 57.86 3i6t h LEU 112 Cb 0.11 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.59 3i6t h LEU 112 CO -0.03 0.97 -0.29 1.88 0.09 0.00 0.00 178.44 181.05 3i6t h TYR 113 N 0.99 1.10 -0.36 1.13 0.05 -0.80 -0.91 116.97 118.17 3i6t h TYR 113 Ca 0.21 -0.30 -0.05 0.00 0.05 0.00 0.00 58.73 58.64 3i6t h TYR 113 Cb 0.35 -0.24 -0.01 0.00 1.01 0.00 0.00 36.73 37.84 3i6t h TYR 113 CO 0.03 1.12 0.04 0.22 -1.05 0.00 0.00 178.16 178.51 3i6t h ASP 114 N 0.77 0.59 0.34 3.88 3.58 -0.79 -0.47 116.42 124.31 3i6t h ASP 114 Ca 0.08 -0.28 -0.02 0.00 0.42 0.00 0.00 57.03 57.24 3i6t h ASP 114 Cb 0.88 -0.16 0.00 0.00 1.72 0.00 0.00 39.33 41.78 3i6t h ASP 114 CO 0.08 0.72 -0.16 0.25 -2.88 0.00 0.00 179.24 177.25 3i6t h LEU 115 N 0.44 -0.39 -1.24 2.28 5.85 -0.76 -0.51 115.31 120.98 3i6t h LEU 115 Ca 0.11 -0.03 -0.06 0.00 0.84 0.00 0.00 57.88 58.74 3i6t h LEU 115 Cb 0.40 0.10 -0.01 0.00 0.37 0.00 0.00 40.66 41.51 3i6t h LEU 115 CO 0.01 -0.23 -0.10 0.03 -0.34 0.00 0.00 178.44 177.81 3i6t h ARG 116 N -0.52 0.40 -0.33 1.25 3.08 -1.13 -0.96 114.38 116.16 3i6t h ARG 116 Ca -0.05 -0.10 -0.06 0.00 0.07 0.00 0.00 59.98 59.85 3i6t h ARG 116 Cb 0.39 -0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.38 3i6t h ARG 116 CO 0.08 0.51 -0.02 0.00 -1.07 0.00 0.00 179.97 179.47 3i6t h ALA 117 N 1.53 0.45 -0.35 0.04 0.00 -0.94 -0.83 119.26 119.16 3i6t h ALA 117 Ca 0.07 -0.25 -0.13 0.00 0.00 0.00 0.00 54.91 54.61 3i6t h ALA 117 Cb 0.41 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 3i6t h ALA 117 CO 0.02 0.22 -0.29 0.00 0.00 0.00 0.00 179.25 179.20 3i6t h ARG 118 N 0.39 0.74 -0.27 0.00 3.08 -0.73 0.27 114.38 117.87 3i6t h ARG 118 Ca 0.09 -0.33 0.01 0.00 0.07 0.00 0.00 59.98 59.81 3i6t h ARG 118 Cb 0.47 -0.02 -0.02 0.00 0.08 0.00 0.00 29.97 30.49 3i6t h ARG 118 CO 0.02 0.95 0.17 0.82 -1.07 0.00 0.00 179.97 180.86 3i6t h ILE 119 N 0.63 1.05 0.00 2.04 2.04 -1.08 -2.64 117.51 119.56 3i6t h ILE 119 Ca 0.07 -0.12 0.00 0.00 1.00 0.00 0.00 64.86 65.81 3i6t h ILE 119 Cb 0.82 0.67 0.00 0.00 -0.74 0.00 0.00 36.82 37.57 3i6t h ILE 119 CO 0.07 0.06 0.00 0.00 0.00 0.00 0.00 178.15 178.28 3i6t h ALA 120 N 1.11 1.00 -0.73 1.87 0.00 -0.79 -3.47 119.26 118.24 3i6t h ALA 120 Ca 0.10 0.00 -0.10 0.00 0.00 0.00 0.00 54.91 54.91 3i6t h ALA 120 Cb -0.02 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 3i6t h ALA 120 CO -0.03 0.00 -0.13 0.41 0.00 0.00 0.00 179.25 179.49 3i6t n GLY 121 N 0.58 0.17 3.33 0.00 0.00 0.79 -5.06 105.19 105.01 3i6t n GLY 121 Ca 0.03 -0.67 -0.20 0.00 0.00 0.00 0.00 46.02 45.18 3i6t n GLY 121 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3i6t s VAL 122 N -2.26 1.75 0.69 1.61 -7.23 -0.25 -4.67 120.40 110.04 3i6t s VAL 122 Ca 0.00 -2.02 -0.14 0.00 -1.81 0.00 0.00 61.98 58.01 3i6t s VAL 122 Cb 0.00 -1.90 0.01 0.00 0.56 0.00 0.00 36.38 35.06 3i6t s VAL 122 CO 0.00 -0.43 1.10 -2.84 -0.31 0.00 0.00 175.10 172.62 3i6t s PRO 123 N -3.12 2.68 0.32 4.82 0.02 -1.23 -0.56 135.00 137.92 3i6t s PRO 123 Ca 0.18 1.33 0.03 0.00 0.02 0.00 0.00 61.00 62.57 3i6t s PRO 123 Cb -0.04 -1.94 0.63 0.00 0.02 0.00 0.00 34.50 33.17 3i6t s PRO 123 CO 0.07 -1.34 1.89 0.28 -0.33 0.00 0.00 177.00 177.57 3i6t h VAL 124 N -0.25 0.97 0.00 3.83 2.07 -1.47 -1.29 116.25 120.11 3i6t h VAL 124 Ca -0.46 -0.31 -0.01 0.00 0.82 0.00 0.00 66.70 66.74 3i6t h VAL 124 Cb 1.24 -0.02 -0.00 0.00 -1.52 0.00 0.00 31.29 30.99 3i6t h VAL 124 CO 0.53 0.17 -0.05 4.11 0.02 0.00 0.00 177.57 182.35 3i6t h TRP 125 N 0.91 0.00 0.00 1.57 5.08 -1.86 0.28 115.95 121.93 3i6t h TRP 125 Ca 0.42 0.00 0.00 0.00 1.08 0.00 0.00 58.89 60.39 3i6t h TRP 125 Cb 0.40 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.56 3i6t h TRP 125 CO -0.00 0.05 0.00 0.00 -1.28 0.00 0.00 178.44 177.21 3i6t h ALA 126 N 1.95 1.00 -0.03 0.11 0.00 -1.52 -0.67 119.26 120.10 3i6t h ALA 126 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3i6t h ALA 126 Cb 0.11 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.90 3i6t h ALA 126 CO 0.01 0.00 -0.02 1.28 0.00 0.00 0.00 179.25 180.52 3i6t n LEU 127 N -2.46 2.52 -0.49 0.00 4.77 0.97 -4.25 117.00 118.06 3i6t n LEU 127 Ca 0.00 -0.84 0.08 0.00 -0.03 0.00 0.00 56.01 55.22 3i6t n LEU 127 Cb 0.16 -0.00 0.19 0.00 -2.33 0.00 0.00 43.42 41.43 3i6t n LEU 127 CO 0.17 0.42 0.63 0.18 -1.33 0.00 0.00 177.39 177.47 3i6t n LEU 128 N 0.95 3.07 0.00 2.23 4.77 -0.32 -4.93 117.00 122.77 3i6t n LEU 128 Ca 0.15 -2.90 0.00 0.00 -0.03 0.00 0.00 56.01 53.23 3i6t n LEU 128 Cb 0.52 -0.44 0.00 0.00 -2.33 0.00 0.00 43.42 41.18 3i6t n LEU 128 CO 0.16 0.68 0.00 0.61 -1.33 0.00 0.00 177.39 177.51 3i6t n GLY 129 N -0.80 0.87 4.91 -0.72 0.00 -1.20 -4.85 105.19 103.40 3i6t n GLY 129 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.19 3i6t n GLY 129 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i6t n GLY 130 N -0.82 -1.89 3.51 -0.02 0.00 -0.82 -4.99 105.19 100.16 3i6t n GLY 130 Ca 0.00 -1.59 -0.33 0.00 0.00 0.00 0.00 46.02 44.09 3i6t n GLY 130 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3i6t s ARG 131 N 0.00 2.68 -0.01 1.61 3.52 -1.26 -3.99 118.95 121.50 3i6t s ARG 131 Ca 0.00 -0.64 0.09 0.00 -0.13 0.00 0.00 55.73 55.05 3i6t s ARG 131 Cb 0.00 -2.49 -0.12 0.00 -1.56 0.00 0.00 34.95 30.78 3i6t s ARG 131 CO 0.00 0.60 0.24 0.00 -0.81 0.00 0.00 175.30 175.33 3i6t s ARG 133 N -2.36 0.73 0.00 0.00 1.70 -1.20 -5.05 118.95 112.77 3i6t s ARG 133 Ca -0.01 -0.22 0.09 0.00 -0.47 0.00 0.00 55.73 55.11 3i6t s ARG 133 Cb 0.06 0.32 0.04 0.00 -0.57 0.00 0.00 34.95 34.80 3i6t s ARG 133 CO 0.35 -0.21 0.70 -0.40 -1.08 0.00 0.00 175.30 174.66 3i6t n ASP 134 N 1.10 1.49 -4.04 -2.89 5.75 -1.26 -4.70 116.55 112.00 3i6t n ASP 134 Ca -0.21 -1.25 -0.11 0.00 -0.01 0.00 0.00 54.79 53.21 3i6t n ASP 134 Cb 0.57 0.18 -0.11 0.00 -1.03 0.00 0.00 41.12 40.72 3i6t n ASP 134 CO 0.00 0.00 0.00 -0.13 -0.11 0.00 0.00 177.20 176.96 3i6t s ARG 135 N -0.91 0.48 -0.06 0.11 0.52 -1.26 -1.13 118.95 116.70 3i6t s ARG 135 Ca 0.09 -0.77 -0.01 0.00 -0.52 0.00 0.00 55.73 54.52 3i6t s ARG 135 Cb 0.07 -0.14 0.03 0.00 0.52 0.00 0.00 34.95 35.43 3i6t s ARG 135 CO 0.15 0.01 0.01 0.42 0.02 0.00 0.00 175.30 175.90 3i6t s ILE 136 N -1.66 0.28 0.32 1.52 1.01 -0.46 -4.94 121.20 117.27 3i6t s ILE 136 Ca -0.10 0.16 -0.29 0.00 0.00 0.00 0.00 60.65 60.42 3i6t s ILE 136 Cb -0.08 -0.45 -0.12 0.00 0.01 0.00 0.00 42.46 41.82 3i6t s ILE 136 CO -0.01 0.24 1.47 -2.65 0.00 0.00 0.00 174.94 173.98 3i6t n PRO 137 N 5.05 2.46 -3.95 2.79 -0.02 -1.26 -0.71 135.00 139.36 3i6t n PRO 137 Ca -0.08 0.87 -0.36 0.00 -2.02 0.00 0.00 63.50 61.90 3i6t n PRO 137 Cb 0.50 -2.57 -0.07 0.00 -0.02 0.00 0.00 33.50 31.34 3i6t n PRO 137 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 3i6t s LEU 138 N -0.94 4.18 -0.08 2.45 2.96 -0.54 -1.69 118.68 125.02 3i6t s LEU 138 Ca 0.60 0.35 0.02 0.00 -0.22 0.00 0.00 54.13 54.87 3i6t s LEU 138 Cb -0.53 -2.02 -0.03 0.00 0.50 0.00 0.00 46.19 44.11 3i6t s LEU 138 CO 0.56 0.35 -0.11 -0.55 -1.32 0.00 0.00 176.35 175.28 3i6t s SER 139 N -0.68 4.26 -0.08 3.68 0.15 0.26 -3.83 113.70 117.47 3i6t s SER 139 Ca 0.13 -0.16 -0.01 0.00 0.70 0.00 0.00 55.95 56.61 3i6t s SER 139 Cb -0.12 -1.14 -0.03 0.00 -1.71 0.00 0.00 66.02 63.02 3i6t s SER 139 CO 0.02 0.31 -0.04 0.00 1.20 0.00 0.00 173.24 174.73 3i6t s SER 141 N -0.77 7.22 -0.45 0.00 0.01 -1.26 -2.04 113.70 116.40 3i6t s SER 141 Ca 0.12 1.58 0.01 0.00 1.31 0.00 0.00 55.95 58.96 3i6t s SER 141 Cb -0.11 -2.48 0.12 0.00 0.21 0.00 0.00 66.02 63.76 3i6t s SER 141 CO 0.02 0.07 0.21 -0.63 0.41 0.00 0.00 173.24 173.32 3i6t s ILE 142 N -1.42 2.93 0.00 1.44 -1.09 -0.13 -4.90 121.20 118.03 3i6t s ILE 142 Ca 0.42 -2.57 0.00 0.00 -2.23 0.00 0.00 60.65 56.27 3i6t s ILE 142 Cb -0.19 -3.03 0.00 0.00 -1.58 0.00 0.00 42.46 37.66 3i6t s ILE 142 CO 0.23 -0.72 0.34 0.00 -1.23 0.00 0.00 174.94 173.56 3i6t n ALA 143 N 3.98 0.97 -2.42 9.38 0.00 -1.26 -1.46 120.51 129.70 3i6t n ALA 143 Ca 0.03 -0.34 -0.42 0.00 0.00 0.00 0.00 53.44 52.71 3i6t n ALA 143 Cb 0.39 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.81 3i6t n ALA 143 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3i6t s ASP 144 N -0.12 7.13 0.55 0.00 -1.08 -1.26 -4.92 116.67 116.98 3i6t s ASP 144 Ca 0.00 1.98 0.25 0.00 -0.52 0.00 0.00 52.55 54.26 3i6t s ASP 144 Cb 0.00 -2.58 1.55 0.00 -1.46 0.00 0.00 42.92 40.43 3i6t s ASP 144 CO 0.00 -0.42 2.17 1.55 0.52 0.00 0.00 175.17 178.99 3i6t h PRO 145 N 6.61 0.00 -4.75 4.34 0.13 -2.00 -3.33 132.00 133.01 3i6t h PRO 145 Ca -0.42 0.00 -0.71 0.00 -0.87 0.00 0.00 66.00 64.00 3i6t h PRO 145 Cb 1.21 0.00 -0.20 0.00 0.13 0.00 0.00 31.00 32.15 3i6t h PRO 145 CO 0.79 0.05 0.55 0.34 -0.23 0.00 0.00 178.00 179.50 3i6t s ASP 146 N -6.42 6.56 0.46 1.44 -1.08 -1.26 -4.92 116.67 111.44 3i6t s ASP 146 Ca -0.04 -2.02 0.16 0.00 -0.52 0.00 0.00 52.55 50.13 3i6t s ASP 146 Cb 0.15 -2.34 1.08 0.00 -1.46 0.00 0.00 42.92 40.34 3i6t s ASP 146 CO 0.59 -0.99 2.00 0.15 0.52 0.00 0.00 175.17 177.45 3i6t h PHE 147 N 8.71 0.00 -0.61 -5.34 3.57 -2.01 -0.89 116.94 120.38 3i6t h PHE 147 Ca 0.05 0.00 0.04 0.00 3.53 0.00 0.00 57.97 61.59 3i6t h PHE 147 Cb 1.04 0.00 -0.03 0.00 2.79 0.00 0.00 35.95 39.75 3i6t h PHE 147 CO 1.07 0.17 0.40 -0.44 -2.23 0.00 0.00 178.31 177.29 3i6t h ASP 148 N 0.00 0.58 -0.74 0.41 3.32 -1.93 0.76 116.42 118.83 3i6t h ASP 148 Ca -0.00 -0.00 -0.05 0.00 0.02 0.00 0.00 57.03 57.00 3i6t h ASP 148 Cb 0.33 -0.13 -0.03 0.00 0.22 0.00 0.00 39.33 39.71 3i6t h ASP 148 CO 0.02 0.39 0.28 0.11 -1.72 0.00 0.00 179.24 178.33 3i6t h LYS 149 N 0.67 1.12 0.00 3.56 1.79 -1.56 -2.01 116.57 120.13 3i6t h LYS 149 Ca 0.25 -0.21 -0.13 0.00 -2.18 0.00 0.00 60.65 58.38 3i6t h LYS 149 Cb 0.15 -0.18 -0.02 0.00 -1.58 0.00 0.00 32.23 30.61 3i6t h LYS 149 CO -0.07 0.92 -0.60 -0.44 -1.08 0.00 0.00 179.45 178.19 3i6t h ASP 150 N 1.07 0.00 -0.66 0.86 3.32 -1.23 -1.83 116.42 117.95 3i6t h ASP 150 Ca 0.24 0.00 -0.06 0.00 0.02 0.00 0.00 57.03 57.24 3i6t h ASP 150 Cb 0.24 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 39.76 3i6t h ASP 150 CO -0.02 0.60 0.20 -0.07 -1.72 0.00 0.00 179.24 178.23 3i6t h LEU 151 N 0.00 0.98 -0.33 1.55 3.38 -0.61 -0.38 115.31 119.90 3i6t h LEU 151 Ca -0.01 -0.18 0.03 0.00 0.09 0.00 0.00 57.88 57.82 3i6t h LEU 151 Cb 1.09 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 41.55 3i6t h LEU 151 CO 0.08 0.92 0.14 0.00 0.09 0.00 0.00 178.44 179.66 3i6t h ALA 152 N 1.21 0.39 -0.96 1.53 0.00 -1.14 -2.77 119.26 117.52 3i6t h ALA 152 Ca 0.22 0.03 0.02 0.00 0.00 0.00 0.00 54.91 55.18 3i6t h ALA 152 Cb 0.30 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.03 3i6t h ALA 152 CO -0.01 -0.25 0.63 1.25 0.00 0.00 0.00 179.25 180.87 3i6t h LEU 153 N 0.29 1.08 -1.31 0.00 5.85 -1.01 -2.54 115.31 117.66 3i6t h LEU 153 Ca 0.15 -0.02 -0.01 0.00 0.84 0.00 0.00 57.88 58.83 3i6t h LEU 153 Cb 0.10 -0.26 -0.03 0.00 0.37 0.00 0.00 40.66 40.84 3i6t h LEU 153 CO -0.13 0.76 0.30 0.24 -0.34 0.00 0.00 178.44 179.27 3i6t h MET 154 N 1.26 0.77 -0.68 1.25 2.86 -0.80 0.81 114.93 120.40 3i6t h MET 154 Ca 0.36 -0.08 -0.02 0.00 -2.06 0.00 0.00 59.70 57.91 3i6t h MET 154 Cb -0.09 -0.16 -0.03 0.00 0.06 0.00 0.00 31.60 31.39 3i6t h MET 154 CO -0.10 0.57 0.36 1.96 1.06 0.00 0.00 176.91 180.77 3i6t h GLN 155 N 0.78 0.96 -0.48 1.72 1.08 -1.23 0.03 115.11 117.97 3i6t h GLN 155 Ca 0.20 -0.12 -0.10 0.00 -1.45 0.00 0.00 58.65 57.18 3i6t h GLN 155 Cb 0.03 -0.18 -0.02 0.00 -0.05 0.00 0.00 27.48 27.26 3i6t h GLN 155 CO -0.03 0.73 -0.11 0.00 -0.95 0.00 0.00 178.83 178.47 3i6t h ARG 156 N 0.94 0.89 -0.30 1.46 3.08 -1.26 -1.87 114.38 117.32 3i6t h ARG 156 Ca 0.24 -0.31 -0.05 0.00 0.07 0.00 0.00 59.98 59.92 3i6t h ARG 156 Cb 0.06 -0.07 -0.01 0.00 0.08 0.00 0.00 29.97 30.04 3i6t h ARG 156 CO -0.04 0.95 -0.02 -0.07 -1.07 0.00 0.00 179.97 179.72 3i6t h LEU 157 N 0.79 0.53 -0.42 3.04 3.38 -0.61 -0.54 115.31 121.49 3i6t h LEU 157 Ca 0.13 -0.33 0.00 0.00 0.09 0.00 0.00 57.88 57.77 3i6t h LEU 157 Cb 0.63 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 41.22 3i6t h LEU 157 CO 0.04 0.73 0.27 -0.61 0.09 0.00 0.00 178.44 178.97 3i6t h GLN 158 N 0.32 0.55 -0.01 1.13 4.15 -0.94 -1.42 115.11 118.89 3i6t h GLN 158 Ca 0.08 -0.04 -0.07 0.00 0.77 0.00 0.00 58.65 59.40 3i6t h GLN 158 Cb 0.48 -0.12 -0.01 0.00 0.21 0.00 0.00 27.48 28.03 3i6t h GLN 158 CO 0.02 0.38 -0.32 -0.44 -1.93 0.00 0.00 178.83 176.54 3i6t h ASP 159 N 0.56 0.01 -0.00 -0.69 3.32 -1.23 -2.12 116.42 116.27 3i6t h ASP 159 Ca 0.15 -0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.20 3i6t h ASP 159 Cb -0.05 -0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.50 3i6t h ASP 159 CO -0.03 0.33 0.00 0.47 -1.72 0.00 0.00 179.24 178.28 3i6t n ASP 160 N -4.16 0.03 -0.84 6.45 8.00 -0.22 -4.90 116.55 120.91 3i6t n ASP 160 Ca -0.02 -1.08 -0.11 0.00 0.71 0.00 0.00 54.79 54.29 3i6t n ASP 160 Cb 0.36 -0.00 -0.05 0.00 -0.02 0.00 0.00 41.12 41.41 3i6t n ASP 160 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 3i6t n ASP 161 N -0.94 -4.79 -4.74 -2.24 8.00 -0.80 -2.80 116.55 108.24 3i6t n ASP 161 Ca 0.22 0.27 -0.41 0.00 0.71 0.00 0.00 54.79 55.58 3i6t n ASP 161 Cb 0.11 -3.25 -0.03 0.00 -0.02 0.00 0.00 41.12 37.93 3i6t n ASP 161 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3i6t s VAL 162 N -2.24 3.03 -0.03 2.53 1.01 -0.60 -3.72 120.40 120.38 3i6t s VAL 162 Ca 0.00 0.87 0.05 0.00 0.00 0.00 0.00 61.98 62.90 3i6t s VAL 162 Cb 0.00 -3.55 0.07 0.00 0.00 0.00 0.00 36.38 32.90 3i6t s VAL 162 CO 0.00 0.14 0.99 0.54 0.00 0.00 0.00 175.10 176.77 3i6t n ARG 163 N 2.41 0.43 -4.39 2.72 5.12 -1.26 -4.32 116.66 117.37 3i6t n ARG 163 Ca 0.06 -1.37 -0.20 0.00 -1.93 0.00 0.00 57.85 54.40 3i6t n ARG 163 Cb 0.42 -0.77 -0.15 0.00 -1.16 0.00 0.00 32.46 30.80 3i6t n ARG 163 CO 0.00 0.00 0.00 0.42 -1.93 0.00 0.00 177.63 176.12 3i6t s ILE 164 N -0.76 0.79 0.12 0.55 1.01 -1.25 -1.00 121.20 120.65 3i6t s ILE 164 Ca 0.08 -0.37 0.04 0.00 0.00 0.00 0.00 60.65 60.40 3i6t s ILE 164 Cb 0.07 -0.70 -0.04 0.00 0.01 0.00 0.00 42.46 41.80 3i6t s ILE 164 CO 0.01 0.24 -0.10 0.27 0.00 0.00 0.00 174.94 175.37 3i6t s ILE 165 N 0.15 1.01 -0.18 2.92 -4.36 -0.65 -2.16 121.20 117.93 3i6t s ILE 165 Ca -0.02 -1.88 0.01 0.00 -0.26 0.00 0.00 60.65 58.49 3i6t s ILE 165 Cb -0.08 -1.64 0.03 0.00 1.25 0.00 0.00 42.46 42.02 3i6t s ILE 165 CO 0.00 -0.70 -0.12 -0.75 0.24 0.00 0.00 174.94 173.62 3i6t s LYS 166 N -3.40 2.14 -0.19 0.37 2.20 -0.87 -0.96 119.74 119.04 3i6t s LYS 166 Ca 0.12 -0.74 -0.29 0.00 -0.36 0.00 0.00 55.97 54.70 3i6t s LYS 166 Cb 0.01 -2.31 0.00 0.00 -1.51 0.00 0.00 37.83 34.03 3i6t s LYS 166 CO -0.01 -0.35 1.02 -1.17 -0.36 0.00 0.00 175.35 174.48 3i6t s LEU 167 N 1.43 4.15 -0.12 5.43 2.96 0.53 -0.95 118.68 132.10 3i6t s LEU 167 Ca 0.01 1.41 -0.29 0.00 -0.22 0.00 0.00 54.13 55.04 3i6t s LEU 167 Cb -0.15 -3.53 -0.01 0.00 0.50 0.00 0.00 46.19 43.00 3i6t s LEU 167 CO -0.09 -0.59 0.99 -0.54 -1.32 0.00 0.00 176.35 174.80 3i6t s LYS 168 N 2.80 4.40 0.31 1.98 -0.14 -0.54 -0.82 119.74 127.73 3i6t s LYS 168 Ca 0.45 1.35 0.06 0.00 -1.36 0.00 0.00 55.97 56.47 3i6t s LYS 168 Cb -0.16 -3.55 -0.06 0.00 -1.68 0.00 0.00 37.83 32.38 3i6t s LYS 168 CO 0.10 -0.33 -0.02 0.95 -0.76 0.00 0.00 175.35 175.28 3i6t s THR 169 N 2.09 1.62 0.00 2.17 -4.23 -0.43 -4.79 115.64 112.08 3i6t s THR 169 Ca 0.47 -2.08 0.00 0.00 -1.18 0.00 0.00 61.69 58.89 3i6t s THR 169 Cb -0.18 -2.62 0.00 0.00 1.34 0.00 0.00 72.50 71.05 3i6t s THR 169 CO 0.17 -0.18 0.00 0.61 -0.54 0.00 0.00 174.62 174.67 3i6t n GLY 170 N -0.67 0.81 0.01 3.99 0.00 -1.26 -4.41 105.19 103.66 3i6t n GLY 170 Ca -0.05 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.08 3i6t n GLY 170 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 3i6t n PHE 171 N -2.34 0.00 0.00 1.61 -1.74 -1.26 -4.84 117.46 108.89 3i6t n PHE 171 Ca 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 57.45 56.89 3i6t n PHE 171 Cb 0.00 -0.34 0.00 0.00 1.52 0.00 0.00 39.48 40.66 3i6t n PHE 171 CO 0.00 0.00 0.00 1.63 -0.56 0.00 0.00 176.76 177.83 3i6t n LYS 172 N -2.01 0.00 -3.98 3.97 5.02 -1.26 -5.13 118.16 114.76 3i6t n LYS 172 Ca -0.02 0.00 -0.09 0.00 -2.02 0.00 0.00 58.31 56.18 3i6t n LYS 172 Cb 0.48 0.00 -0.05 0.00 -0.02 0.00 0.00 35.03 35.44 3i6t n LYS 172 CO 0.00 0.00 0.00 0.16 -0.52 0.00 0.00 177.40 177.04 3i6t s ASP 173 N -0.14 -0.10 0.25 4.39 1.47 -1.26 -5.06 116.67 116.21 3i6t s ASP 173 Ca 0.00 -0.90 -0.05 0.00 1.18 0.00 0.00 52.55 52.78 3i6t s ASP 173 Cb 0.00 0.59 0.29 0.00 -0.34 0.00 0.00 42.92 43.46 3i6t s ASP 173 CO 0.00 -1.14 1.87 -0.74 0.68 0.00 0.00 175.17 175.84 3i6t h HIS 174 N 2.25 1.13 -0.67 2.11 -0.00 -2.00 -2.22 115.15 115.75 3i6t h HIS 174 Ca -0.26 -0.04 0.00 0.00 -0.00 0.00 0.00 60.37 60.08 3i6t h HIS 174 Cb 1.25 -0.36 -0.03 0.00 -0.00 0.00 0.00 27.41 28.27 3i6t h HIS 174 CO 0.40 0.80 0.42 0.00 -0.00 0.00 0.00 177.93 179.55 3i6t h ALA 175 N 1.32 1.48 -0.97 5.26 0.00 -1.99 -1.58 119.26 122.79 3i6t h ALA 175 Ca 0.28 -0.06 0.03 0.00 0.00 0.00 0.00 54.91 55.16 3i6t h ALA 175 Cb 0.06 -0.27 -0.05 0.00 0.00 0.00 0.00 17.79 17.53 3i6t h ALA 175 CO -0.04 0.46 0.64 0.35 0.00 0.00 0.00 179.25 180.66 3i6t h PHE 176 N 0.91 1.20 -0.11 0.00 3.57 -1.82 0.16 116.94 120.86 3i6t h PHE 176 Ca 0.24 0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.75 3i6t h PHE 176 Cb -0.07 -0.40 -0.00 0.00 2.79 0.00 0.00 35.95 38.26 3i6t h PHE 176 CO 0.00 0.72 -0.03 -0.44 -2.23 0.00 0.00 178.31 176.33 3i6t h ASP 177 N 1.26 0.21 -0.25 0.41 3.32 -1.16 -2.58 116.42 117.63 3i6t h ASP 177 Ca 0.37 -0.37 -0.07 0.00 0.02 0.00 0.00 57.03 56.98 3i6t h ASP 177 Cb -0.06 -0.06 -0.02 0.00 0.22 0.00 0.00 39.33 39.41 3i6t h ASP 177 CO -0.10 0.53 -0.08 0.24 -1.72 0.00 0.00 179.24 178.11 3i6t h MET 178 N -0.12 0.62 -0.39 3.56 2.86 -1.16 -1.35 114.93 118.96 3i6t h MET 178 Ca 0.03 -0.18 -0.03 0.00 -2.06 0.00 0.00 59.70 57.46 3i6t h MET 178 Cb 0.44 -0.07 -0.02 0.00 0.06 0.00 0.00 31.60 32.02 3i6t h MET 178 CO 0.01 0.70 0.11 1.98 1.06 0.00 0.00 176.91 180.77 3i6t h MET 179 N 0.58 0.61 -0.34 1.72 1.85 -0.66 -1.92 114.93 116.77 3i6t h MET 179 Ca 0.11 -0.14 -0.13 0.00 -0.61 0.00 0.00 59.70 58.93 3i6t h MET 179 Cb 0.48 -0.08 -0.01 0.00 0.43 0.00 0.00 31.60 32.42 3i6t h MET 179 CO 0.03 0.63 -0.31 0.00 -0.40 0.00 0.00 176.91 176.85 3i6t h ARG 180 N 0.48 0.82 -0.84 0.39 3.08 -1.26 -2.09 114.38 114.96 3i6t h ARG 180 Ca 0.12 -0.42 -0.00 0.00 0.07 0.00 0.00 59.98 59.75 3i6t h ARG 180 Cb 0.28 0.01 -0.04 0.00 0.08 0.00 0.00 29.97 30.30 3i6t h ARG 180 CO -0.00 1.06 0.52 -0.07 -1.07 0.00 0.00 179.97 180.40 3i6t h LEU 181 N 0.60 0.99 -0.01 3.04 3.38 -1.15 -0.88 115.31 121.28 3i6t h LEU 181 Ca 0.06 -0.05 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 3i6t h LEU 181 Cb 0.89 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 41.39 3i6t h LEU 181 CO 0.08 0.75 0.01 -0.08 0.09 0.00 0.00 178.44 179.29 3i6t h GLU 182 N 1.15 0.02 -0.59 1.13 4.81 -1.18 -1.81 114.58 118.10 3i6t h GLU 182 Ca 0.30 -0.00 -0.08 0.00 -0.13 0.00 0.00 59.36 59.45 3i6t h GLU 182 Cb -0.07 -0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.28 3i6t h GLU 182 CO -0.06 0.09 0.05 -0.09 -0.73 0.00 0.00 179.01 178.26 3i6t h ARG 183 N -0.05 1.00 -0.36 1.92 9.65 -1.18 -1.17 114.38 124.18 3i6t h ARG 183 Ca 0.00 -0.28 -0.16 0.00 -1.10 0.00 0.00 59.98 58.45 3i6t h ARG 183 Cb 0.07 -0.11 -0.01 0.00 -1.39 0.00 0.00 29.97 28.54 3i6t h ARG 183 CO -0.00 0.95 -0.39 -0.07 2.80 0.00 0.00 179.97 183.26 3i6t h LEU 184 N 0.93 0.94 -0.91 3.80 3.38 -1.08 0.69 115.31 123.05 3i6t h LEU 184 Ca 0.18 -0.43 -0.08 0.00 0.09 0.00 0.00 57.88 57.64 3i6t h LEU 184 Cb 0.47 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.94 3i6t h LEU 184 CO 0.02 1.21 -0.02 0.03 0.09 0.00 0.00 178.44 179.77 3i6t h ARG 185 N 0.72 0.78 -0.02 1.13 2.47 -1.19 0.17 114.38 118.44 3i6t h ARG 185 Ca 0.06 -0.22 -0.01 0.00 -1.26 0.00 0.00 59.98 58.55 3i6t h ARG 185 Cb 0.97 -0.09 -0.00 0.00 -1.65 0.00 0.00 29.97 29.20 3i6t h ARG 185 CO 0.09 0.80 -0.01 0.00 0.56 0.00 0.00 179.97 181.41 3i6t h ALA 186 N 1.25 0.03 0.00 0.04 0.00 -1.02 -3.30 119.26 116.26 3i6t h ALA 186 Ca 0.14 -0.24 -0.13 0.00 0.00 0.00 0.00 54.91 54.68 3i6t h ALA 186 Cb 0.47 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.23 3i6t h ALA 186 CO 0.02 -0.23 -1.43 -0.25 0.00 0.00 0.00 179.25 177.36 3i6t n ASP 187 N -4.83 0.74 -3.12 0.00 8.00 0.22 -4.53 116.55 113.03 3i6t n ASP 187 Ca -0.08 0.32 -0.23 0.00 0.71 0.00 0.00 54.79 55.51 3i6t n ASP 187 Cb 0.25 0.41 -0.04 0.00 -0.02 0.00 0.00 41.12 41.71 3i6t n ASP 187 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 3i6t n PHE 188 N -2.79 1.85 0.30 1.24 3.01 0.59 -4.94 117.46 116.72 3i6t n PHE 188 Ca -0.09 -3.89 0.19 0.00 1.01 0.00 0.00 57.45 54.67 3i6t n PHE 188 Cb 0.78 -0.45 0.90 0.00 -0.01 0.00 0.00 39.48 40.70 3i6t n PHE 188 CO 0.00 0.00 0.00 -1.00 1.01 0.00 0.00 176.76 176.77 3i6t h PRO 189 N 3.21 0.00 0.00 -1.08 0.13 -1.69 -2.34 132.00 130.23 3i6t h PRO 189 Ca 0.12 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.25 3i6t h PRO 189 Cb 0.76 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.89 3i6t h PRO 189 CO 0.64 0.02 0.00 0.00 -0.23 0.00 0.00 178.00 178.44 3i6t n ALA 190 N -2.12 2.15 -2.22 -0.56 0.00 -1.26 -4.83 120.51 111.67 3i6t n ALA 190 Ca -0.01 -0.09 -0.36 0.00 0.00 0.00 0.00 53.44 52.97 3i6t n ALA 190 Cb 0.20 -1.40 -0.06 0.00 0.00 0.00 0.00 19.45 18.20 3i6t n ALA 190 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 3i6t s PHE 191 N -2.89 3.67 -0.23 0.00 0.40 -0.88 -4.94 117.98 113.11 3i6t s PHE 191 Ca 0.15 1.25 -0.22 0.00 -0.60 0.00 0.00 56.93 57.52 3i6t s PHE 191 Cb 0.16 -2.51 -0.02 0.00 0.51 0.00 0.00 43.02 41.17 3i6t s PHE 191 CO 0.43 0.43 0.69 0.34 0.70 0.00 0.00 175.22 177.80 3i6t s ASP 192 N -1.55 6.69 -0.13 1.36 -1.08 -0.17 -4.99 116.67 116.80 3i6t s ASP 192 Ca 0.38 0.84 -0.00 0.00 -0.52 0.00 0.00 52.55 53.25 3i6t s ASP 192 Cb -0.17 -2.37 -0.02 0.00 -1.46 0.00 0.00 42.92 38.91 3i6t s ASP 192 CO 0.20 -0.38 -0.13 -0.63 0.52 0.00 0.00 175.17 174.75 3i6t s ILE 193 N 2.41 3.07 0.38 4.11 1.01 -1.26 -1.63 121.20 129.28 3i6t s ILE 193 Ca 0.30 -0.66 0.08 0.00 0.00 0.00 0.00 60.65 60.37 3i6t s ILE 193 Cb -0.16 -2.29 -0.05 0.00 0.01 0.00 0.00 42.46 39.98 3i6t s ILE 193 CO 0.09 0.53 0.13 -0.13 0.00 0.00 0.00 174.94 175.55 3i6t s ARG 194 N 0.32 2.23 -0.02 2.79 3.00 -0.13 -0.84 118.95 126.30 3i6t s ARG 194 Ca -0.10 -1.74 0.04 0.00 0.00 0.00 0.00 55.73 53.92 3i6t s ARG 194 Cb -0.16 -2.02 -0.01 0.00 0.00 0.00 0.00 34.95 32.77 3i6t s ARG 194 CO 0.06 0.01 -0.12 0.08 0.00 0.00 0.00 175.30 175.32 3i6t s VAL 195 N -2.53 0.98 -0.10 3.52 1.01 -0.62 -0.35 120.40 122.31 3i6t s VAL 195 Ca 0.39 -0.51 -0.01 0.00 0.00 0.00 0.00 61.98 61.84 3i6t s VAL 195 Cb 0.01 -0.83 0.03 0.00 0.00 0.00 0.00 36.38 35.59 3i6t s VAL 195 CO 0.22 0.28 -0.01 -0.62 0.00 0.00 0.00 175.10 174.98 3i6t s ASP 196 N -0.15 1.94 0.11 3.32 2.15 0.00 -0.38 116.67 123.66 3i6t s ASP 196 Ca 0.02 -0.26 0.25 0.00 0.43 0.00 0.00 52.55 52.99 3i6t s ASP 196 Cb -0.06 -0.54 0.48 0.00 -0.30 0.00 0.00 42.92 42.49 3i6t s ASP 196 CO -0.00 -0.20 1.42 -1.22 -0.17 0.00 0.00 175.17 175.00 3i6t n TYR 197 N 5.09 0.49 -4.00 -5.34 4.02 -0.56 -1.31 117.16 115.56 3i6t n TYR 197 Ca -0.08 0.14 -0.27 0.00 -0.01 0.00 0.00 57.90 57.68 3i6t n TYR 197 Cb 0.49 -0.62 -0.02 0.00 -0.02 0.00 0.00 39.34 39.17 3i6t n TYR 197 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 176.86 175.94 3i6t n ASN 198 N -2.01 -1.07 -1.30 7.72 4.13 -1.22 -0.48 115.26 121.03 3i6t n ASN 198 Ca 0.04 -0.99 -0.17 0.00 1.68 0.00 0.00 54.58 55.14 3i6t n ASN 198 Cb 0.42 -3.06 -0.07 0.00 -1.54 0.00 0.00 39.78 35.53 3i6t n ASN 198 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3i6t n GLN 199 N -4.41 -1.25 0.00 3.52 6.02 0.06 -4.91 117.38 116.41 3i6t n GLN 199 Ca -0.23 1.10 0.14 0.00 -0.01 0.00 0.00 57.00 58.00 3i6t n GLN 199 Cb 0.64 -5.35 0.53 0.00 1.02 0.00 0.00 30.24 27.08 3i6t n GLN 199 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3i6t n GLY 200 N -0.75 -0.44 3.62 1.08 0.00 0.37 -3.92 105.19 105.14 3i6t n GLY 200 Ca -0.17 -0.38 -0.38 0.00 0.00 0.00 0.00 46.02 45.09 3i6t n GLY 200 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3i6t s LEU 201 N -2.24 4.06 0.50 0.99 1.43 -0.23 -4.91 118.68 118.27 3i6t s LEU 201 Ca 0.33 0.19 -0.23 0.00 -1.03 0.00 0.00 54.13 53.39 3i6t s LEU 201 Cb 0.20 -2.29 -0.07 0.00 0.03 0.00 0.00 46.19 44.07 3i6t s LEU 201 CO 0.42 -0.09 1.36 1.57 0.23 0.00 0.00 176.35 179.84 3i6t n HIS 202 N 4.97 2.36 0.23 0.29 -0.00 -1.26 -4.44 115.22 117.37 3i6t n HIS 202 Ca -0.11 0.44 0.17 0.00 -0.00 0.00 0.00 57.72 58.22 3i6t n HIS 202 Cb 0.51 -2.39 0.85 0.00 -0.00 0.00 0.00 29.99 28.97 3i6t n HIS 202 CO 0.00 0.00 0.00 1.12 -0.00 0.00 0.00 176.34 177.46 3i6t h HIS 203 N 1.79 0.00 -0.59 1.57 2.07 -1.97 -1.97 115.15 116.05 3i6t h HIS 203 Ca -0.50 0.00 0.09 0.00 -2.85 0.00 0.00 60.37 57.11 3i6t h HIS 203 Cb 1.29 0.00 -0.04 0.00 2.57 0.00 0.00 27.41 31.24 3i6t h HIS 203 CO 0.47 0.00 0.39 -0.44 -3.07 0.00 0.00 177.93 175.28 3i6t h ASP 204 N 0.00 0.37 0.00 3.10 3.32 -2.05 -3.30 116.42 117.86 3i6t h ASP 204 Ca 0.07 0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.12 3i6t h ASP 204 Cb 0.39 -0.07 0.00 0.00 0.22 0.00 0.00 39.33 39.87 3i6t h ASP 204 CO -0.00 0.22 0.00 1.33 -1.72 0.00 0.00 179.24 179.07 3i6t n VAL 205 N -4.47 0.00 0.05 -1.35 0.24 -0.80 -4.87 118.33 107.13 3i6t n VAL 205 Ca 0.09 -0.40 -0.12 0.00 -2.04 0.00 0.00 64.34 61.88 3i6t n VAL 205 Cb 0.36 1.14 -0.07 0.00 -1.47 0.00 0.00 33.84 33.79 3i6t n VAL 205 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3i6t h ALA 206 N 0.00 -0.02 -0.55 2.33 0.00 -1.50 -2.17 119.26 117.35 3i6t h ALA 206 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3i6t h ALA 206 Cb 0.07 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 17.84 3i6t h ALA 206 CO 0.00 -0.51 0.35 1.25 0.00 0.00 0.00 179.25 180.34 3i6t h LEU 207 N -0.02 0.64 -0.53 0.00 5.85 -1.88 -1.12 115.31 118.25 3i6t h LEU 207 Ca -0.00 -0.03 -0.02 0.00 0.84 0.00 0.00 57.88 58.67 3i6t h LEU 207 Cb 0.01 -0.16 -0.02 0.00 0.37 0.00 0.00 40.66 40.86 3i6t h LEU 207 CO 0.00 0.48 0.26 0.00 -0.34 0.00 0.00 178.44 178.84 3i6t h ALA 208 N 1.19 0.69 -0.39 1.25 0.00 -1.84 -0.43 119.26 119.72 3i6t h ALA 208 Ca 0.20 -0.12 -0.05 0.00 0.00 0.00 0.00 54.91 54.94 3i6t h ALA 208 Cb -0.06 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.50 3i6t h ALA 208 CO -0.04 0.24 0.04 0.00 0.00 0.00 0.00 179.25 179.49 3i6t h ARG 209 N 0.71 0.66 -0.32 0.00 2.47 -1.18 -1.43 114.38 115.29 3i6t h ARG 209 Ca 0.18 -0.19 0.01 0.00 -1.26 0.00 0.00 59.98 58.72 3i6t h ARG 209 Cb 0.10 -0.07 -0.02 0.00 -1.65 0.00 0.00 29.97 28.33 3i6t h ARG 209 CO -0.02 0.73 0.20 0.28 0.56 0.00 0.00 179.97 181.72 3i6t h VAL 210 N 0.49 1.06 -0.75 2.04 2.07 -1.00 -1.11 116.25 119.05 3i6t h VAL 210 Ca 0.11 -0.14 0.05 0.00 0.82 0.00 0.00 66.70 67.54 3i6t h VAL 210 Cb 0.41 0.61 -0.05 0.00 -1.52 0.00 0.00 31.29 30.74 3i6t h VAL 210 CO 0.01 0.07 0.46 0.03 0.02 0.00 0.00 177.57 178.16 3i6t h ARG 211 N 0.41 0.83 -0.06 1.57 3.08 -0.90 0.82 114.38 120.12 3i6t h ARG 211 Ca 0.12 -0.05 0.01 0.00 0.07 0.00 0.00 59.98 60.13 3i6t h ARG 211 Cb -0.03 -0.19 -0.01 0.00 0.08 0.00 0.00 29.97 29.83 3i6t h ARG 211 CO -0.04 0.55 0.01 -0.44 -1.07 0.00 0.00 179.97 178.98 3i6t h ASP 212 N 0.85 0.00 0.66 7.04 3.45 -0.88 -2.80 116.42 124.74 3i6t h ASP 212 Ca 0.32 0.01 -0.07 0.00 0.43 0.00 0.00 57.03 57.73 3i6t h ASP 212 Cb 0.13 0.01 -0.01 0.00 -0.56 0.00 0.00 39.33 38.90 3i6t h ASP 212 CO -0.16 0.01 -0.31 -0.37 -1.57 0.00 0.00 179.24 176.85 3i6t h VAL 213 N 0.04 0.86 0.00 -1.35 -1.51 -0.85 -2.68 116.25 110.76 3i6t h VAL 213 Ca 0.03 -1.24 -0.00 0.00 -1.23 0.00 0.00 66.70 64.25 3i6t h VAL 213 Cb 0.02 1.75 -0.00 0.00 -2.13 0.00 0.00 31.29 30.93 3i6t h VAL 213 CO -0.04 0.31 -0.00 0.00 -1.23 0.00 0.00 177.57 176.61 3i6t h ALA 214 N 1.69 1.27 0.00 5.19 0.00 -0.57 -1.93 119.26 124.91 3i6t h ALA 214 Ca -0.00 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 3i6t h ALA 214 Cb 0.73 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.51 3i6t h ALA 214 CO 0.04 0.00 -0.04 1.79 0.00 0.00 0.00 179.25 181.04 3i6t h THR 215 N 0.00 0.33 -0.13 0.00 1.35 -1.43 -0.27 112.91 112.76 3i6t h THR 215 Ca -0.00 -0.26 0.00 0.00 -0.55 0.00 0.00 66.41 65.60 3i6t h THR 215 Cb 0.02 1.19 0.00 0.00 -1.73 0.00 0.00 68.15 67.62 3i6t h THR 215 CO 0.00 0.04 0.00 0.49 -0.25 0.00 0.00 175.52 175.80 3i6t n PHE 216 N -3.46 0.17 -3.88 4.73 3.01 -0.72 -4.96 117.46 112.35 3i6t n PHE 216 Ca -0.02 -0.09 -0.24 0.00 1.01 0.00 0.00 57.45 58.11 3i6t n PHE 216 Cb 0.16 0.00 -0.00 0.00 -0.01 0.00 0.00 39.48 39.63 3i6t n PHE 216 CO 0.00 0.00 0.00 1.63 1.01 0.00 0.00 176.76 179.40 3i6t n LYS 217 N -0.05 -3.80 -1.55 -1.08 5.02 -0.11 -4.94 118.16 111.64 3i6t n LYS 217 Ca 0.13 0.47 -0.35 0.00 -2.02 0.00 0.00 58.31 56.53 3i6t n LYS 217 Cb 0.21 -4.74 0.09 0.00 -0.02 0.00 0.00 35.03 30.56 3i6t n LYS 217 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 3i6t s PRO 218 N -6.39 2.27 0.26 1.97 0.04 -1.26 -4.90 135.00 127.00 3i6t s PRO 218 Ca 0.02 1.91 -0.04 0.00 0.04 0.00 0.00 61.00 62.94 3i6t s PRO 218 Cb -0.01 -1.83 0.33 0.00 0.04 0.00 0.00 34.50 33.03 3i6t s PRO 218 CO 0.87 -1.77 1.86 1.15 0.04 0.00 0.00 177.00 179.14 3i6t h THR 219 N 0.05 1.23 -3.58 1.26 2.02 -1.35 -3.44 112.91 109.10 3i6t h THR 219 Ca -0.49 -0.68 -0.07 0.00 0.77 0.00 0.00 66.41 65.95 3i6t h THR 219 Cb 1.32 0.32 -0.13 0.00 -1.74 0.00 0.00 68.15 67.91 3i6t h THR 219 CO 0.51 0.28 -0.21 0.72 0.37 0.00 0.00 175.52 177.19 3i6t s PHE 220 N -5.57 -0.04 -0.20 3.16 -0.71 -1.26 -4.25 117.98 109.11 3i6t s PHE 220 Ca -0.11 -0.33 -0.01 0.00 -1.04 0.00 0.00 56.93 55.44 3i6t s PHE 220 Cb 0.16 0.11 0.01 0.00 -1.21 0.00 0.00 43.02 42.09 3i6t s PHE 220 CO 0.81 -0.63 -0.13 0.42 -1.34 0.00 0.00 175.22 174.35 3i6t s ILE 221 N -3.83 2.68 -0.15 -4.49 1.01 -0.35 -1.59 121.20 114.47 3i6t s ILE 221 Ca 0.04 -0.73 -0.07 0.00 0.00 0.00 0.00 60.65 59.88 3i6t s ILE 221 Cb 0.03 -2.17 -0.04 0.00 0.01 0.00 0.00 42.46 40.29 3i6t s ILE 221 CO -0.12 0.49 0.10 -0.70 0.00 0.00 0.00 174.94 174.71 3i6t s GLU 222 N 1.34 3.74 -0.56 2.79 2.12 0.49 -0.69 118.70 127.93 3i6t s GLU 222 Ca 0.05 -0.24 -0.03 0.00 0.36 0.00 0.00 54.97 55.10 3i6t s GLU 222 Cb -0.14 -3.21 0.00 0.00 0.26 0.00 0.00 34.13 31.04 3i6t s GLU 222 CO -0.08 0.50 0.39 0.94 -0.54 0.00 0.00 175.26 176.47 3i6t n GLN 223 N 2.84 -0.91 -0.14 4.30 -0.06 -0.13 -1.49 117.38 121.78 3i6t n GLN 223 Ca -0.18 0.38 -0.01 0.00 -2.00 0.00 0.00 57.00 55.19 3i6t n GLN 223 Cb 0.53 -1.36 0.23 0.00 -4.06 0.00 0.00 30.24 25.58 3i6t n GLN 223 CO 0.00 0.00 0.00 -1.00 -0.20 0.00 0.00 177.06 175.86 3i6t h PRO 224 N 0.08 0.85 -5.74 3.69 0.13 -1.87 0.21 132.00 129.35 3i6t h PRO 224 Ca -0.42 -0.12 -0.60 0.00 -0.87 0.00 0.00 66.00 63.99 3i6t h PRO 224 Cb 0.89 -0.16 -0.11 0.00 0.13 0.00 0.00 31.00 31.75 3i6t h PRO 224 CO 0.25 0.68 -0.54 0.14 -0.23 0.00 0.00 178.00 178.29 3i6t s VAL 225 N -5.45 2.07 0.54 1.56 -7.23 -1.26 -1.06 120.40 109.56 3i6t s VAL 225 Ca -0.10 -1.86 -0.20 0.00 -1.81 0.00 0.00 61.98 58.01 3i6t s VAL 225 Cb 0.16 -2.92 -0.07 0.00 0.56 0.00 0.00 36.38 34.11 3i6t s VAL 225 CO 0.79 0.00 0.97 0.29 -0.31 0.00 0.00 175.10 176.83 3i6t n LYS 226 N -1.12 1.07 -0.33 4.82 5.02 -1.25 -4.30 118.16 122.06 3i6t n LYS 226 Ca -0.04 0.40 0.15 0.00 -2.02 0.00 0.00 58.31 56.80 3i6t n LYS 226 Cb 0.66 -2.12 0.37 0.00 -0.02 0.00 0.00 35.03 33.93 3i6t n LYS 226 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3i6t h ALA 227 N 0.88 1.82 0.00 7.82 0.00 -1.91 -1.76 119.26 126.10 3i6t h ALA 227 Ca -0.47 0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.51 3i6t h ALA 227 Cb 1.35 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.09 3i6t h ALA 227 CO 0.53 -0.20 0.00 -2.39 0.00 0.00 0.00 179.25 177.19 3i6t n HIS 228 N -4.72 0.33 -1.65 0.00 1.44 -1.26 -4.26 115.22 105.10 3i6t n HIS 228 Ca 0.23 0.10 -0.37 0.00 -2.01 0.00 0.00 57.72 55.68 3i6t n HIS 228 Cb 0.64 -0.66 -0.03 0.00 0.12 0.00 0.00 29.99 30.06 3i6t n HIS 228 CO 0.00 0.00 0.00 1.28 -2.81 0.00 0.00 176.34 174.81 3i6t n LEU 229 N -1.77 7.97 0.09 2.39 4.77 -0.66 -4.65 117.00 125.13 3i6t n LEU 229 Ca 0.06 -4.52 -0.07 0.00 -0.03 0.00 0.00 56.01 51.45 3i6t n LEU 229 Cb 0.37 -1.42 -0.02 0.00 -2.33 0.00 0.00 43.42 40.03 3i6t n LEU 229 CO 0.28 2.01 0.25 0.03 -1.33 0.00 0.00 177.39 178.63 3i6t h ARG 230 N 4.48 0.09 -0.82 3.23 3.08 -1.82 -1.28 114.38 121.33 3i6t h ARG 230 Ca 0.70 -0.11 0.02 0.00 0.07 0.00 0.00 59.98 60.66 3i6t h ARG 230 Cb 0.42 0.03 -0.04 0.00 0.08 0.00 0.00 29.97 30.46 3i6t h ARG 230 CO 1.44 0.91 0.54 0.78 -1.07 0.00 0.00 179.97 182.58 3i6t h GLY 231 N 2.23 1.17 1.38 0.04 0.00 -1.96 -1.23 103.07 104.69 3i6t h GLY 231 Ca -0.03 -0.42 -0.14 0.00 0.00 0.00 0.00 47.33 46.74 3i6t h GLY 231 CO 0.12 0.40 -0.39 -2.00 0.00 0.00 0.00 176.54 174.68 3i6t h LEU 232 N 1.09 0.73 -0.38 3.11 5.85 -1.84 -1.65 115.31 122.22 3i6t h LEU 232 Ca 0.31 -0.32 0.06 0.00 0.84 0.00 0.00 57.88 58.76 3i6t h LEU 232 Cb -0.09 -0.20 -0.05 0.00 0.37 0.00 0.00 40.66 40.68 3i6t h LEU 232 CO -0.08 1.03 0.08 0.24 -0.34 0.00 0.00 178.44 179.37 3i6t h MET 233 N 0.57 0.20 -0.90 1.25 2.86 -1.01 -0.23 114.93 117.66 3i6t h MET 233 Ca 0.05 -0.01 0.04 0.00 -2.06 0.00 0.00 59.70 57.72 3i6t h MET 233 Cb 0.92 -0.05 -0.05 0.00 0.06 0.00 0.00 31.60 32.48 3i6t h MET 233 CO 0.08 0.13 0.58 0.00 1.06 0.00 0.00 176.91 178.77 3i6t h ALA 234 N 1.29 1.20 -0.52 6.32 0.00 -1.01 0.14 119.26 126.68 3i6t h ALA 234 Ca 0.18 -0.04 -0.05 0.00 0.00 0.00 0.00 54.91 55.01 3i6t h ALA 234 Cb 0.21 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 3i6t h ALA 234 CO -0.24 0.42 0.12 0.00 0.00 0.00 0.00 179.25 179.56 3i6t h ARG 235 N 1.12 0.83 -0.82 0.00 3.08 -0.61 -2.59 114.38 115.38 3i6t h ARG 235 Ca 0.36 -0.20 -0.04 0.00 0.07 0.00 0.00 59.98 60.17 3i6t h ARG 235 Cb 0.03 -0.11 -0.04 0.00 0.08 0.00 0.00 29.97 29.93 3i6t h ARG 235 CO -0.13 0.79 0.36 0.82 -1.07 0.00 0.00 179.97 180.74 3i6t h ILE 236 N 0.72 1.26 -0.62 2.04 2.04 -0.57 -2.02 117.51 120.35 3i6t h ILE 236 Ca 0.16 -0.79 0.10 0.00 1.00 0.00 0.00 64.86 65.33 3i6t h ILE 236 Cb 0.34 0.25 -0.07 0.00 -0.74 0.00 0.00 36.82 36.59 3i6t h ILE 236 CO 0.00 0.33 0.23 -0.09 0.00 0.00 0.00 178.15 178.62 3i6t h ARG 237 N 1.18 0.39 0.00 2.37 2.43 -0.54 -2.29 114.38 117.92 3i6t h ARG 237 Ca 0.28 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.42 3i6t h ARG 237 Cb 0.18 -0.09 0.00 0.00 -0.42 0.00 0.00 29.97 29.64 3i6t h ARG 237 CO -0.03 0.26 -0.03 -0.25 -1.51 0.00 0.00 179.97 178.41 3i6t n ASP 238 N -5.00 0.77 0.07 -3.80 8.00 -0.99 -3.78 116.55 111.81 3i6t n ASP 238 Ca 0.09 0.55 0.11 0.00 0.71 0.00 0.00 54.79 56.25 3i6t n ASP 238 Cb 0.28 -0.74 -0.05 0.00 -0.02 0.00 0.00 41.12 40.60 3i6t n ASP 238 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3i6t n ALA 239 N -1.77 2.60 -2.77 2.24 0.00 -0.79 -4.94 120.51 115.09 3i6t n ALA 239 Ca 0.06 -0.31 -0.27 0.00 0.00 0.00 0.00 53.44 52.91 3i6t n ALA 239 Cb 0.43 -1.01 -0.16 0.00 0.00 0.00 0.00 19.45 18.71 3i6t n ALA 239 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3i6t s VAL 240 N -3.41 1.57 0.27 0.00 1.01 -1.09 -5.05 120.40 113.71 3i6t s VAL 240 Ca -0.03 -0.81 0.01 0.00 0.00 0.00 0.00 61.98 61.16 3i6t s VAL 240 Cb 0.11 -1.34 0.06 0.00 0.00 0.00 0.00 36.38 35.21 3i6t s VAL 240 CO 0.82 0.45 1.70 0.44 0.00 0.00 0.00 175.10 178.52 3i6t h ASP 241 N 6.08 0.53 -3.78 3.32 3.32 -1.91 -3.44 116.42 120.53 3i6t h ASP 241 Ca -0.34 -0.18 -0.52 0.00 0.02 0.00 0.00 57.03 56.01 3i6t h ASP 241 Cb 1.17 -0.14 0.07 0.00 0.22 0.00 0.00 39.33 40.64 3i6t h ASP 241 CO 0.48 0.77 0.67 -0.69 -1.72 0.00 0.00 179.24 178.75 3i6t s VAL 242 N -4.50 2.66 0.27 -1.35 1.01 -1.26 -4.92 120.40 112.31 3i6t s VAL 242 Ca -0.07 0.64 -0.31 0.00 0.00 0.00 0.00 61.98 62.24 3i6t s VAL 242 Cb 0.14 -3.41 -0.12 0.00 0.00 0.00 0.00 36.38 32.99 3i6t s VAL 242 CO 0.80 0.14 1.61 -2.65 0.00 0.00 0.00 175.10 175.00 3i6t n PRO 243 N 1.11 2.66 -3.54 2.72 -0.02 -1.26 -4.86 135.00 131.80 3i6t n PRO 243 Ca 0.02 0.95 -0.37 0.00 -2.02 0.00 0.00 63.50 62.08 3i6t n PRO 243 Cb 0.41 -2.74 -0.07 0.00 -0.02 0.00 0.00 33.50 31.09 3i6t n PRO 243 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 3i6t s LEU 244 N -0.01 4.26 -0.15 2.45 2.96 -1.26 -1.22 118.68 125.71 3i6t s LEU 244 Ca 0.67 0.54 -0.02 0.00 -0.22 0.00 0.00 54.13 55.10 3i6t s LEU 244 Cb -0.51 -2.38 -0.02 0.00 0.50 0.00 0.00 46.19 43.77 3i6t s LEU 244 CO 0.45 0.12 -0.07 -0.22 -1.32 0.00 0.00 176.35 175.30 3i6t s LEU 245 N 0.33 3.03 0.07 -0.68 2.96 0.13 -0.42 118.68 124.10 3i6t s LEU 245 Ca 0.17 -0.22 -0.26 0.00 -0.22 0.00 0.00 54.13 53.61 3i6t s LEU 245 Cb -0.13 -1.71 -0.06 0.00 0.50 0.00 0.00 46.19 44.79 3i6t s LEU 245 CO 0.04 0.16 0.79 0.00 -1.32 0.00 0.00 176.35 176.03 3i6t s ALA 246 N 0.40 3.37 0.00 5.97 0.00 0.07 -0.96 121.76 130.61 3i6t s ALA 246 Ca -0.06 0.33 0.00 0.00 0.00 0.00 0.00 51.96 52.22 3i6t s ALA 246 Cb -0.15 -3.02 0.00 0.00 0.00 0.00 0.00 23.12 19.95 3i6t s ALA 246 CO 0.04 0.09 0.00 -3.47 0.00 0.00 0.00 175.76 172.41 3i6t n ASP 247 N 2.63 0.00 0.32 0.00 2.03 -1.26 -0.88 116.55 119.39 3i6t n ASP 247 Ca -0.02 0.00 0.19 0.00 0.52 0.00 0.00 54.79 55.48 3i6t n ASP 247 Cb 0.50 0.00 1.08 0.00 -0.72 0.00 0.00 41.12 41.98 3i6t n ASP 247 CO 0.00 0.00 0.00 -0.33 -1.92 0.00 0.00 177.20 174.95 3i6t h GLU 248 N 0.00 0.00 0.00 -0.67 3.07 -1.94 -1.60 114.58 113.44 3i6t h GLU 248 Ca 0.00 0.00 -0.00 0.00 -0.50 0.00 0.00 59.36 58.86 3i6t h GLU 248 Cb 0.00 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 27.91 3i6t h GLU 248 CO 0.00 0.00 -0.01 0.77 -1.40 0.00 0.00 179.01 178.37 3i6t h SER 249 N 0.00 0.00 -3.29 1.42 0.02 -1.90 -3.41 113.55 106.39 3i6t h SER 249 Ca 0.00 0.00 -0.51 0.00 -0.84 0.00 0.00 61.79 60.44 3i6t h SER 249 Cb 0.02 0.00 -0.39 0.00 0.14 0.00 0.00 62.40 62.17 3i6t h SER 249 CO -0.00 0.01 -0.77 -0.63 -1.14 0.00 0.00 176.83 174.30 3i6t s ILE 250 N -3.93 0.68 -0.13 3.27 -1.09 -0.60 -4.96 121.20 114.44 3i6t s ILE 250 Ca -0.02 -0.42 -0.09 0.00 -2.23 0.00 0.00 60.65 57.89 3i6t s ILE 250 Cb 0.11 -1.00 -0.03 0.00 -1.58 0.00 0.00 42.46 39.96 3i6t s ILE 250 CO 0.49 0.01 -0.18 0.49 -1.23 0.00 0.00 174.94 174.51 3i6t n PHE 251 N 5.02 0.69 -3.54 3.97 0.99 -1.26 -4.82 117.46 118.51 3i6t n PHE 251 Ca -0.09 0.30 0.00 0.00 -0.00 0.00 0.00 57.45 57.66 3i6t n PHE 251 Cb 0.48 -0.67 0.00 0.00 -1.00 0.00 0.00 39.48 38.29 3i6t n PHE 251 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 3i6t n GLY 252 N 1.60 5.10 0.29 1.37 0.00 -1.26 -3.22 105.19 109.08 3i6t n GLY 252 Ca -0.07 -1.78 0.05 0.00 0.00 0.00 0.00 46.02 44.22 3i6t n GLY 252 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3i6t h PRO 253 N 0.00 0.35 -0.22 1.61 0.11 -1.92 -0.79 132.00 131.14 3i6t h PRO 253 Ca 0.00 -0.02 -0.05 0.00 0.11 0.00 0.00 66.00 66.04 3i6t h PRO 253 Cb 0.00 -0.08 -0.01 0.00 0.11 0.00 0.00 31.00 31.02 3i6t h PRO 253 CO 0.00 0.24 -0.04 0.93 -0.21 0.00 0.00 178.00 178.92 3i6t h GLU 254 N 0.36 0.42 -0.57 1.05 3.07 -1.98 -0.01 114.58 116.91 3i6t h GLU 254 Ca 0.10 -0.15 -0.03 0.00 -0.50 0.00 0.00 59.36 58.78 3i6t h GLU 254 Cb -0.04 -0.03 -0.03 0.00 -0.84 0.00 0.00 28.75 27.82 3i6t h GLU 254 CO -0.02 0.64 0.25 -0.44 -1.40 0.00 0.00 179.01 178.04 3i6t h ASP 255 N 0.15 0.77 -0.94 1.42 3.32 -1.81 -0.74 116.42 118.60 3i6t h ASP 255 Ca 0.06 -0.15 0.02 0.00 0.02 0.00 0.00 57.03 56.98 3i6t h ASP 255 Cb 0.48 -0.20 -0.05 0.00 0.22 0.00 0.00 39.33 39.78 3i6t h ASP 255 CO 0.02 0.70 0.62 -0.03 -1.72 0.00 0.00 179.24 178.83 3i6t h MET 256 N 0.78 1.19 -0.44 3.56 4.05 -0.97 -0.68 114.93 122.42 3i6t h MET 256 Ca 0.19 -0.07 -0.12 0.00 -0.28 0.00 0.00 59.70 59.42 3i6t h MET 256 Cb 0.16 -0.27 -0.01 0.00 -0.80 0.00 0.00 31.60 30.67 3i6t h MET 256 CO -0.02 0.79 -0.20 0.00 0.23 0.00 0.00 176.91 177.71 3i6t h ALA 257 N 1.36 0.80 0.00 0.39 0.00 -0.62 -3.17 119.26 118.02 3i6t h ALA 257 Ca 0.36 -0.38 -0.15 0.00 0.00 0.00 0.00 54.91 54.74 3i6t h ALA 257 Cb -0.08 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.52 3i6t h ALA 257 CO -0.09 0.65 -0.71 1.49 0.00 0.00 0.00 179.25 180.59 3i6t h GLU 258 N 0.77 0.00 -2.18 0.00 4.81 -0.69 -3.38 114.58 113.92 3i6t h GLU 258 Ca 0.11 0.00 -0.55 0.00 -0.13 0.00 0.00 59.36 58.78 3i6t h GLU 258 Cb 0.75 0.00 -0.41 0.00 0.63 0.00 0.00 28.75 29.72 3i6t h GLU 258 CO 0.06 0.71 -0.84 0.72 -0.73 0.00 0.00 179.01 178.93 3i6t n HIS 259 N -3.67 2.59 0.27 0.92 8.25 -0.30 -4.95 115.22 118.33 3i6t n HIS 259 Ca -0.01 -3.93 0.15 0.00 -0.26 0.00 0.00 57.72 53.67 3i6t n HIS 259 Cb 0.70 -0.47 0.75 0.00 1.12 0.00 0.00 29.99 32.10 3i6t n HIS 259 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 3i6t h PRO 260 N 3.08 0.00 0.00 -0.41 0.13 -1.74 -3.30 132.00 129.75 3i6t h PRO 260 Ca 0.12 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.25 3i6t h PRO 260 Cb 0.68 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.81 3i6t h PRO 260 CO 0.70 0.08 -0.01 0.39 -0.23 0.00 0.00 178.00 178.93 3i6t n GLU 261 N -3.35 1.44 0.10 0.86 -0.58 -1.26 -4.73 120.64 113.12 3i6t n GLU 261 Ca -0.01 -2.40 0.12 0.00 -0.42 0.00 0.00 57.16 54.45 3i6t n GLU 261 Cb 0.26 -1.41 0.25 0.00 -0.57 0.00 0.00 31.44 29.98 3i6t n GLU 261 CO 0.00 0.00 0.00 -0.84 -0.48 0.00 0.00 177.13 175.81 3i6t h ILE 262 N 0.20 0.00 -3.49 -3.67 3.07 -1.89 -3.43 117.51 108.29 3i6t h ILE 262 Ca 0.00 -0.59 -0.03 0.00 1.55 0.00 0.00 64.86 65.79 3i6t h ILE 262 Cb 0.95 1.38 -0.09 0.00 -0.27 0.00 0.00 36.82 38.80 3i6t h ILE 262 CO 0.00 0.00 -0.04 0.00 -1.05 0.00 0.00 178.15 177.06 3i6t s ALA 263 N -3.16 -0.50 -0.61 0.16 0.00 -1.26 -3.27 121.76 113.12 3i6t s ALA 263 Ca 0.08 -0.69 0.25 0.00 0.00 0.00 0.00 51.96 51.59 3i6t s ALA 263 Cb 0.12 1.00 0.57 0.00 0.00 0.00 0.00 23.12 24.80 3i6t s ALA 263 CO 0.67 -0.88 1.63 -0.44 0.00 0.00 0.00 175.76 176.74 3i6t h ASP 264 N 2.21 0.00 -5.20 0.00 3.32 -1.09 -3.48 116.42 112.18 3i6t h ASP 264 Ca -0.25 -0.03 0.08 0.00 0.02 0.00 0.00 57.03 56.85 3i6t h ASP 264 Cb 1.25 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.78 3i6t h ASP 264 CO 0.34 0.01 0.42 -0.83 -1.72 0.00 0.00 179.24 177.46 3i6t s GLY 265 N -3.82 0.19 -0.00 2.75 0.00 -0.99 -1.20 107.32 104.25 3i6t s GLY 265 Ca 0.08 -0.48 0.02 0.00 0.00 0.00 0.00 44.72 44.34 3i6t s GLY 265 CO 0.64 0.85 -0.05 0.54 0.00 0.00 0.00 173.10 175.08 3i6t s VAL 266 N -2.43 0.42 -0.24 1.40 0.11 -0.10 -0.75 120.40 118.81 3i6t s VAL 266 Ca 0.17 -0.27 -0.27 0.00 -2.93 0.00 0.00 61.98 58.68 3i6t s VAL 266 Cb -0.04 -0.36 0.00 0.00 -1.53 0.00 0.00 36.38 34.45 3i6t s VAL 266 CO 0.08 0.09 0.95 -0.55 -3.33 0.00 0.00 175.10 172.34 3i6t s SER 267 N -0.20 6.98 -0.24 3.54 0.15 -0.06 -1.63 113.70 122.23 3i6t s SER 267 Ca 0.01 1.21 -0.16 0.00 0.70 0.00 0.00 55.95 57.72 3i6t s SER 267 Cb -0.02 -2.50 -0.04 0.00 -1.71 0.00 0.00 66.02 61.75 3i6t s SER 267 CO -0.00 -0.62 0.41 -0.63 1.20 0.00 0.00 173.24 173.60 3i6t s ILE 268 N 3.08 5.16 -0.04 6.45 -1.09 0.39 -4.82 121.20 130.32 3i6t s ILE 268 Ca 0.40 0.70 -0.00 0.00 -2.23 0.00 0.00 60.65 59.52 3i6t s ILE 268 Cb -0.15 -3.74 0.03 0.00 -1.58 0.00 0.00 42.46 37.02 3i6t s ILE 268 CO 0.07 0.19 -0.00 -0.54 -1.23 0.00 0.00 174.94 173.42 3i6t s LYS 269 N 1.76 0.47 0.52 2.79 1.02 -1.26 -1.49 119.74 123.54 3i6t s LYS 269 Ca 0.18 0.07 0.17 0.00 0.02 0.00 0.00 55.97 56.41 3i6t s LYS 269 Cb -0.15 -0.69 1.28 0.00 -0.52 0.00 0.00 37.83 37.75 3i6t s LYS 269 CO 0.09 -0.18 2.14 -0.84 -0.92 0.00 0.00 175.35 175.64 3i6t h ILE 270 N 6.25 0.98 0.00 2.17 3.07 -1.86 -1.17 117.51 126.96 3i6t h ILE 270 Ca -0.33 -0.06 -0.03 0.00 1.55 0.00 0.00 64.86 65.99 3i6t h ILE 270 Cb 1.13 1.03 -0.00 0.00 -0.27 0.00 0.00 36.82 38.71 3i6t h ILE 270 CO 0.39 0.02 -0.13 0.24 -1.05 0.00 0.00 178.15 177.62 3i6t h MET 271 N 0.00 0.00 0.12 0.16 2.86 -1.90 -0.41 114.93 115.76 3i6t h MET 271 Ca -0.00 0.00 -0.30 0.00 -2.06 0.00 0.00 59.70 57.34 3i6t h MET 271 Cb 0.03 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.68 3i6t h MET 271 CO 0.00 0.13 -1.58 0.87 1.06 0.00 0.00 176.91 177.39 3i6t h LYS 272 N 0.00 0.26 0.00 1.72 1.57 -1.64 -3.13 116.57 115.35 3i6t h LYS 272 Ca -0.00 -0.44 0.00 0.00 -1.87 0.00 0.00 60.65 58.34 3i6t h LYS 272 Cb 0.52 0.16 0.00 0.00 0.08 0.00 0.00 32.23 32.99 3i6t h LYS 272 CO 0.02 1.21 0.00 -1.13 -0.57 0.00 0.00 179.45 178.98 3i6t n SER 273 N -3.82 0.00 -0.47 0.86 3.41 -0.52 -4.31 113.62 108.78 3i6t n SER 273 Ca -0.27 0.39 -0.05 0.00 -0.26 0.00 0.00 58.87 58.69 3i6t n SER 273 Cb 0.94 -0.46 -0.01 0.00 -0.26 0.00 0.00 64.21 64.42 3i6t n SER 273 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3i6t n GLY 274 N 1.36 0.41 0.00 5.00 0.00 -0.22 -4.70 105.19 107.03 3i6t n GLY 274 Ca 0.08 -0.76 0.00 0.00 0.00 0.00 0.00 46.02 45.34 3i6t n GLY 274 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i6t n GLY 275 N -1.59 0.23 0.11 -0.02 0.00 -0.84 -3.29 105.19 99.79 3i6t n GLY 275 Ca -0.05 -1.81 -0.20 0.00 0.00 0.00 0.00 46.02 43.96 3i6t n GLY 275 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3i6t h LEU 276 N 0.00 0.42 -0.33 0.99 3.38 -1.88 -2.77 115.31 115.12 3i6t h LEU 276 Ca 0.00 -0.95 0.01 0.00 0.09 0.00 0.00 57.88 57.04 3i6t h LEU 276 Cb 0.00 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.59 3i6t h LEU 276 CO 0.00 1.38 0.19 0.74 0.09 0.00 0.00 178.44 180.84 3i6t h THR 277 N -0.42 1.03 -0.04 0.22 2.02 -1.97 -1.96 112.91 111.78 3i6t h THR 277 Ca -0.14 -0.13 -0.08 0.00 0.77 0.00 0.00 66.41 66.82 3i6t h THR 277 Cb 1.60 0.60 -0.01 0.00 -1.74 0.00 0.00 68.15 68.60 3i6t h THR 277 CO 0.13 0.07 -0.35 0.03 0.37 0.00 0.00 175.52 175.77 3i6t h ARG 278 N 0.39 0.09 -0.30 6.66 3.08 -1.86 -1.89 114.38 120.55 3i6t h ARG 278 Ca 0.13 -0.03 -0.02 0.00 0.07 0.00 0.00 59.98 60.13 3i6t h ARG 278 Cb 0.01 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.04 3i6t h ARG 278 CO -0.06 0.43 0.12 0.00 -1.07 0.00 0.00 179.97 179.38 3i6t h ALA 279 N 1.57 0.39 -0.84 0.04 0.00 -1.17 -1.50 119.26 117.75 3i6t h ALA 279 Ca 0.01 -0.13 0.06 0.00 0.00 0.00 0.00 54.91 54.85 3i6t h ALA 279 Cb 0.65 -0.12 -0.06 0.00 0.00 0.00 0.00 17.79 18.27 3i6t h ALA 279 CO 0.05 -0.01 0.52 1.96 0.00 0.00 0.00 179.25 181.77 3i6t h GLN 280 N 0.33 0.93 -0.71 0.00 4.20 -0.91 -2.01 115.11 116.93 3i6t h GLN 280 Ca 0.10 -0.06 -0.03 0.00 0.06 0.00 0.00 58.65 58.73 3i6t h GLN 280 Cb 0.19 -0.21 -0.03 0.00 0.30 0.00 0.00 27.48 27.73 3i6t h GLN 280 CO -0.01 0.61 0.34 1.15 -0.67 0.00 0.00 178.83 180.26 3i6t h THR 281 N 0.95 1.23 -0.44 -0.54 2.02 -0.98 -0.59 112.91 114.56 3i6t h THR 281 Ca 0.37 -0.66 0.01 0.00 0.77 0.00 0.00 66.41 66.91 3i6t h THR 281 Cb 0.16 0.35 -0.03 0.00 -1.74 0.00 0.00 68.15 66.90 3i6t h THR 281 CO -0.17 0.27 0.27 0.58 0.37 0.00 0.00 175.52 176.85 3i6t h VAL 282 N 1.00 1.07 -0.40 3.16 2.07 -0.79 -0.88 116.25 121.48 3i6t h VAL 282 Ca 0.25 -0.19 -0.11 0.00 0.82 0.00 0.00 66.70 67.47 3i6t h VAL 282 Cb 0.12 0.47 -0.01 0.00 -1.52 0.00 0.00 31.29 30.34 3i6t h VAL 282 CO -0.03 0.10 -0.20 0.00 0.02 0.00 0.00 177.57 177.46 3i6t h ALA 283 N 1.19 0.90 -0.33 1.67 0.00 -0.90 -0.38 119.26 121.42 3i6t h ALA 283 Ca 0.17 -0.36 -0.13 0.00 0.00 0.00 0.00 54.91 54.60 3i6t h ALA 283 Cb -0.01 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 3i6t h ALA 283 CO -0.07 0.62 -0.31 0.00 0.00 0.00 0.00 179.25 179.50 3i6t h ARG 284 N 0.68 0.71 -0.50 0.00 3.08 -0.92 -0.96 114.38 116.47 3i6t h ARG 284 Ca 0.10 -0.32 -0.09 0.00 0.07 0.00 0.00 59.98 59.74 3i6t h ARG 284 Cb 0.70 -0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.72 3i6t h ARG 284 CO 0.05 0.92 -0.02 0.52 -1.07 0.00 0.00 179.97 180.38 3i6t h MET 285 N 0.60 0.90 0.32 0.04 2.86 -0.74 -1.44 114.93 117.46 3i6t h MET 285 Ca 0.07 -0.30 -0.02 0.00 -2.06 0.00 0.00 59.70 57.39 3i6t h MET 285 Cb 0.82 -0.08 0.00 0.00 0.06 0.00 0.00 31.60 32.41 3i6t h MET 285 CO 0.07 0.94 -0.15 0.00 1.06 0.00 0.00 176.91 178.83 3i6t h ALA 286 N 0.93 -0.42 -0.41 6.32 0.00 -0.90 -3.11 119.26 121.66 3i6t h ALA 286 Ca 0.14 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 54.92 3i6t h ALA 286 Cb 0.55 0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.48 3i6t h ALA 286 CO 0.03 -0.71 0.18 0.00 0.00 0.00 0.00 179.25 178.75 3i6t h ALA 287 N 0.19 1.55 -0.10 0.00 0.00 -1.13 -0.21 119.26 119.56 3i6t h ALA 287 Ca -0.04 -0.10 0.03 0.00 0.00 0.00 0.00 54.91 54.79 3i6t h ALA 287 Cb 0.36 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 17.98 3i6t h ALA 287 CO 0.07 0.36 0.10 0.00 0.00 0.00 0.00 179.25 179.77 3i6t h ALA 288 N 1.63 1.76 -0.22 0.00 0.00 -1.19 -1.42 119.26 119.82 3i6t h ALA 288 Ca 0.14 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.05 3i6t h ALA 288 Cb 0.09 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.89 3i6t h ALA 288 CO -0.02 -0.15 0.00 0.54 0.00 0.00 0.00 179.25 179.63 3i6t n ARG 289 N -3.98 2.11 -0.66 0.00 1.74 -0.84 -4.98 116.66 110.04 3i6t n ARG 289 Ca -0.01 -1.73 0.00 0.00 -0.77 0.00 0.00 57.85 55.35 3i6t n ARG 289 Cb 0.20 -1.23 0.00 0.00 -1.02 0.00 0.00 32.46 30.41 3i6t n ARG 289 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3i6t n GLY 290 N 0.48 0.71 3.83 -0.13 0.00 -0.53 -5.07 105.19 104.48 3i6t n GLY 290 Ca 0.09 -0.61 -0.38 0.00 0.00 0.00 0.00 46.02 45.12 3i6t n GLY 290 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3i6t s LEU 291 N 0.00 4.44 0.69 0.99 1.43 -0.15 -4.98 118.68 121.10 3i6t s LEU 291 Ca 0.00 0.86 -0.14 0.00 -1.03 0.00 0.00 54.13 53.81 3i6t s LEU 291 Cb 0.00 -2.50 0.01 0.00 0.03 0.00 0.00 46.19 43.74 3i6t s LEU 291 CO 0.00 0.32 1.13 -0.44 0.23 0.00 0.00 176.35 177.58 3i6t s SER 292 N -0.92 4.84 -0.02 2.29 0.01 -0.34 -3.18 113.70 116.38 3i6t s SER 292 Ca 0.22 2.05 0.02 0.00 1.31 0.00 0.00 55.95 59.55 3i6t s SER 292 Cb -0.16 -2.56 0.01 0.00 0.21 0.00 0.00 66.02 63.52 3i6t s SER 292 CO 0.11 -1.81 -0.06 0.00 0.41 0.00 0.00 173.24 171.89 3i6t s ALA 293 N -2.33 0.64 0.01 1.44 0.00 -1.26 -0.92 121.76 119.35 3i6t s ALA 293 Ca 0.68 -0.20 0.06 0.00 0.00 0.00 0.00 51.96 52.49 3i6t s ALA 293 Cb -0.22 -0.27 -0.02 0.00 0.00 0.00 0.00 23.12 22.62 3i6t s ALA 293 CO 0.44 0.09 -0.17 -0.47 0.00 0.00 0.00 175.76 175.64 3i6t s TYR 294 N 0.28 1.50 -1.07 0.00 5.04 -0.65 -2.53 117.35 119.92 3i6t s TYR 294 Ca -0.04 -0.32 -0.18 0.00 -2.44 0.00 0.00 57.07 54.09 3i6t s TYR 294 Cb -0.08 -0.93 0.12 0.00 0.35 0.00 0.00 41.96 41.42 3i6t s TYR 294 CO 0.00 0.02 1.36 0.20 -1.34 0.00 0.00 175.55 175.79 3i6t s GLY 295 N -0.75 1.88 0.81 8.97 0.00 -0.07 -0.46 107.32 117.71 3i6t s GLY 295 Ca 0.06 -2.85 -0.11 0.00 0.00 0.00 0.00 44.72 41.82 3i6t s GLY 295 CO 0.00 2.26 1.16 -0.32 0.00 0.00 0.00 173.10 176.20 3i6t s GLY 296 N 3.77 1.67 0.31 0.20 0.00 -0.55 -1.42 107.32 111.30 3i6t s GLY 296 Ca 0.41 -0.91 -0.08 0.00 0.00 0.00 0.00 44.72 44.14 3i6t s GLY 296 CO -0.05 -0.37 0.52 0.51 0.00 0.00 0.00 173.10 173.71 3i6t s ASP 297 N -4.65 0.42 0.00 1.64 -4.77 -1.26 -4.54 116.67 103.51 3i6t s ASP 297 Ca 0.65 -1.24 0.00 0.00 -3.30 0.00 0.00 52.55 48.65 3i6t s ASP 297 Cb -0.09 0.66 0.00 0.00 -1.09 0.00 0.00 42.92 42.40 3i6t s ASP 297 CO 0.49 -1.29 0.00 0.23 0.70 0.00 0.00 175.17 175.29 3i6t n MET 298 N -0.49 1.44 -2.36 2.11 2.81 -1.26 -5.00 117.12 114.37 3i6t n MET 298 Ca -0.01 0.00 -0.36 0.00 -1.81 0.00 0.00 57.70 55.52 3i6t n MET 298 Cb 0.61 0.00 -0.04 0.00 -0.71 0.00 0.00 33.22 33.09 3i6t n MET 298 CO 0.00 0.00 0.00 -0.06 1.51 0.00 0.00 175.97 177.42 3i6t s PHE 299 N 0.67 2.28 0.32 2.03 0.40 -1.26 -4.92 117.98 117.50 3i6t s PHE 299 Ca 0.00 -0.36 0.09 0.00 -0.60 0.00 0.00 56.93 56.07 3i6t s PHE 299 Cb 0.00 -4.44 -0.05 0.00 0.51 0.00 0.00 43.02 39.04 3i6t s PHE 299 CO 0.00 -1.81 -0.00 -1.21 0.70 0.00 0.00 175.22 172.90 3i6t s GLU 300 N 5.66 2.10 0.35 0.44 2.02 -1.26 -4.85 118.70 123.16 3i6t s GLU 300 Ca 0.56 -1.67 0.05 0.00 0.02 0.00 0.00 54.97 53.92 3i6t s GLU 300 Cb -0.02 -1.97 0.05 0.00 0.10 0.00 0.00 34.13 32.29 3i6t s GLU 300 CO -0.03 0.20 0.38 0.00 0.02 0.00 0.00 175.26 175.83 3i6t n ALA 301 N -0.92 0.65 0.30 5.21 0.00 -1.26 -4.47 120.51 120.01 3i6t n ALA 301 Ca -0.05 -1.33 0.17 0.00 0.00 0.00 0.00 53.44 52.24 3i6t n ALA 301 Cb 0.61 0.45 0.93 0.00 0.00 0.00 0.00 19.45 21.44 3i6t n ALA 301 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 3i6t h GLY 302 N 0.22 0.00 0.58 0.00 0.00 -1.97 -1.13 103.07 100.78 3i6t h GLY 302 Ca -0.19 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.14 3i6t h GLY 302 CO 0.29 0.00 -0.01 -2.00 0.00 0.00 0.00 176.54 174.81 3i6t h LEU 303 N 0.00 -0.03 -0.91 3.11 5.85 -1.95 -0.86 115.31 120.51 3i6t h LEU 303 Ca -0.00 -0.40 -0.05 0.00 0.84 0.00 0.00 57.88 58.27 3i6t h LEU 303 Cb 0.18 0.01 -0.03 0.00 0.37 0.00 0.00 40.66 41.19 3i6t h LEU 303 CO 0.01 0.38 0.20 0.00 -0.34 0.00 0.00 178.44 178.69 3i6t h ALA 304 N 0.50 1.12 -0.39 1.25 0.00 -1.79 -2.05 119.26 117.90 3i6t h ALA 304 Ca -0.00 -0.21 0.04 0.00 0.00 0.00 0.00 54.91 54.74 3i6t h ALA 304 Cb 0.43 -0.26 -0.04 0.00 0.00 0.00 0.00 17.79 17.92 3i6t h ALA 304 CO 0.01 0.60 0.15 0.45 0.00 0.00 0.00 179.25 180.46 3i6t h HIS 305 N 0.96 0.27 -0.83 0.00 3.86 -1.11 -1.41 115.15 116.89 3i6t h HIS 305 Ca 0.21 0.02 -0.04 0.00 -1.16 0.00 0.00 60.37 59.41 3i6t h HIS 305 Cb 0.28 -0.06 -0.04 0.00 1.06 0.00 0.00 27.41 28.65 3i6t h HIS 305 CO 0.02 0.11 0.38 -0.07 0.86 0.00 0.00 177.93 179.23 3i6t h LEU 306 N 0.32 1.10 -0.25 2.43 3.38 -0.77 0.11 115.31 121.62 3i6t h LEU 306 Ca 0.18 -0.15 0.03 0.00 0.09 0.00 0.00 57.88 58.03 3i6t h LEU 306 Cb 0.15 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.58 3i6t h LEU 306 CO -0.17 0.94 0.06 0.00 0.09 0.00 0.00 178.44 179.37 3i6t h ALA 307 N 1.20 0.27 -0.67 1.53 0.00 -0.98 -0.79 119.26 119.82 3i6t h ALA 307 Ca 0.28 0.04 -0.08 0.00 0.00 0.00 0.00 54.91 55.16 3i6t h ALA 307 Cb 0.15 0.04 -0.03 0.00 0.00 0.00 0.00 17.79 17.96 3i6t h ALA 307 CO -0.03 -0.35 0.12 0.78 0.00 0.00 0.00 179.25 179.76 3i6t h GLY 308 N 0.17 1.18 1.03 0.00 0.00 -0.85 -1.88 103.07 102.71 3i6t h GLY 308 Ca 0.11 -0.77 -0.03 0.00 0.00 0.00 0.00 47.33 46.64 3i6t h GLY 308 CO -0.14 0.71 0.35 0.00 0.00 0.00 0.00 176.54 177.46 3i6t h ALA 309 N 1.09 1.01 -0.62 3.60 0.00 -0.52 0.77 119.26 124.58 3i6t h ALA 309 Ca 0.21 -0.17 -0.08 0.00 0.00 0.00 0.00 54.91 54.87 3i6t h ALA 309 Cb 0.42 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 3i6t h ALA 309 CO 0.01 0.59 0.09 0.45 0.00 0.00 0.00 179.25 180.39 3i6t h HIS 310 N 1.11 1.11 0.12 0.00 3.86 -1.04 0.68 115.15 120.98 3i6t h HIS 310 Ca 0.26 -0.16 -0.00 0.00 -1.16 0.00 0.00 60.37 59.31 3i6t h HIS 310 Cb 0.15 -0.30 -0.00 0.00 1.06 0.00 0.00 27.41 28.32 3i6t h HIS 310 CO 0.01 0.95 -0.07 1.98 0.86 0.00 0.00 177.93 181.67 3i6t h MET 311 N 0.95 -0.18 -0.83 2.45 -1.53 -0.93 -2.65 114.93 112.22 3i6t h MET 311 Ca 0.19 0.01 -0.01 0.00 -3.44 0.00 0.00 59.70 56.45 3i6t h MET 311 Cb 0.45 0.04 -0.04 0.00 -0.55 0.00 0.00 31.60 31.50 3i6t h MET 311 CO 0.01 -0.12 0.48 0.82 0.14 0.00 0.00 176.91 178.24 3i6t h ILE 312 N -0.18 1.24 -0.58 1.77 2.04 -0.71 -2.16 117.51 118.93 3i6t h ILE 312 Ca -0.01 -0.56 0.10 0.00 1.00 0.00 0.00 64.86 65.39 3i6t h ILE 312 Cb 0.15 0.09 -0.03 0.00 -0.74 0.00 0.00 36.82 36.29 3i6t h ILE 312 CO 0.01 0.26 0.39 0.00 0.00 0.00 0.00 178.15 178.81 3i6t h ALA 313 N 1.37 2.06 -0.22 1.87 0.00 -0.68 -1.23 119.26 122.44 3i6t h ALA 313 Ca 0.30 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.20 3i6t h ALA 313 Cb -0.01 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.71 3i6t h ALA 313 CO -0.05 -0.20 0.00 0.00 0.00 0.00 0.00 179.25 179.00 3i6t n ALA 314 N -2.53 2.49 -3.76 0.00 0.00 -0.84 -0.33 120.51 115.55 3i6t n ALA 314 Ca 0.10 -0.64 -0.30 0.00 0.00 0.00 0.00 53.44 52.60 3i6t n ALA 314 Cb 0.39 -1.03 -0.13 0.00 0.00 0.00 0.00 19.45 18.68 3i6t n ALA 314 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 3i6t s THR 315 N -1.72 1.50 0.57 0.00 2.01 -0.46 -4.79 115.64 112.75 3i6t s THR 315 Ca 0.33 -2.46 0.26 0.00 0.31 0.00 0.00 61.69 60.13 3i6t s THR 315 Cb 0.18 -2.06 0.33 0.00 0.01 0.00 0.00 72.50 70.97 3i6t s THR 315 CO 0.27 -0.84 2.21 -0.65 -0.69 0.00 0.00 174.62 174.92 3i6t h PRO 316 N 6.94 0.00 0.00 4.92 0.11 -1.88 -2.38 132.00 139.72 3i6t h PRO 316 Ca -0.04 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.06 3i6t h PRO 316 Cb 0.94 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.05 3i6t h PRO 316 CO 0.50 0.00 -0.05 0.93 -0.21 0.00 0.00 178.00 179.17 3i6t h GLU 317 N 0.00 0.00 -5.89 1.05 3.07 -1.93 -3.38 114.58 107.50 3i6t h GLU 317 Ca 0.01 0.00 -0.59 0.00 -0.50 0.00 0.00 59.36 58.29 3i6t h GLU 317 Cb 0.07 0.00 -0.11 0.00 -0.84 0.00 0.00 28.75 27.87 3i6t h GLU 317 CO -0.00 0.05 0.77 0.42 -1.40 0.00 0.00 179.01 178.86 3i6t s ILE 318 N -4.43 4.07 -0.34 3.13 1.01 -0.90 -4.15 121.20 119.60 3i6t s ILE 318 Ca -0.04 0.04 0.03 0.00 0.00 0.00 0.00 60.65 60.69 3i6t s ILE 318 Cb 0.14 -4.77 0.01 0.00 0.01 0.00 0.00 42.46 37.84 3i6t s ILE 318 CO 0.56 -1.60 0.45 0.35 0.00 0.00 0.00 174.94 174.70 3i6t n THR 319 N 6.15 0.00 0.09 2.92 -2.24 -1.05 -4.67 114.28 115.49 3i6t n THR 319 Ca -0.00 -0.47 0.09 0.00 -2.27 0.00 0.00 64.05 61.39 3i6t n THR 319 Cb 0.47 1.05 0.26 0.00 -2.10 0.00 0.00 70.33 70.01 3i6t n THR 319 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 3i6t n LEU 320 N -0.24 3.25 0.00 3.22 4.77 -1.14 -5.05 117.00 121.81 3i6t n LEU 320 Ca 0.02 -1.62 0.00 0.00 -0.03 0.00 0.00 56.01 54.37 3i6t n LEU 320 Cb 0.07 -0.41 0.00 0.00 -2.33 0.00 0.00 43.42 40.76 3i6t n LEU 320 CO 0.04 0.77 0.00 0.61 -1.33 0.00 0.00 177.39 177.48 3i6t n GLY 321 N 1.38 -1.92 3.17 -0.72 0.00 -1.26 -4.80 105.19 101.03 3i6t n GLY 321 Ca 0.20 -1.79 -0.09 0.00 0.00 0.00 0.00 46.02 44.34 3i6t n GLY 321 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i6t n GLU 323 N -0.07 3.50 -1.44 0.00 0.28 -0.51 -0.57 120.64 121.83 3i6t n GLU 323 Ca -0.08 -4.17 -0.40 0.00 -0.16 0.00 0.00 57.16 52.35 3i6t n GLU 323 Cb 0.63 -2.27 -0.02 0.00 1.43 0.00 0.00 31.44 31.20 3i6t n GLU 323 CO 0.00 0.00 0.00 1.19 -0.16 0.00 0.00 177.13 178.16 3i6t n PHE 324 N -0.67 2.69 0.54 -1.84 0.99 -1.26 -4.47 117.46 113.43 3i6t n PHE 324 Ca 0.44 -3.06 0.10 0.00 -0.00 0.00 0.00 57.45 54.94 3i6t n PHE 324 Cb 0.87 -2.49 -0.14 0.00 -1.00 0.00 0.00 39.48 36.72 3i6t n PHE 324 CO 0.00 0.00 0.00 2.48 -0.00 0.00 0.00 176.76 179.24 3i6t n TYR 325 N 4.10 0.00 -0.08 1.38 4.11 -1.26 -4.68 117.16 120.73 3i6t n TYR 325 Ca 0.72 0.00 -0.13 0.00 -0.00 0.00 0.00 57.90 58.49 3i6t n TYR 325 Cb 0.27 -0.23 -0.05 0.00 -0.00 0.00 0.00 39.34 39.33 3i6t n TYR 325 CO 0.00 0.00 0.00 1.96 -0.00 0.00 0.00 176.86 178.82 3i6t h GLN 326 N 0.00 0.63 -0.32 -3.48 7.50 -1.86 -0.37 115.11 117.21 3i6t h GLN 326 Ca 0.00 -0.33 0.05 0.00 0.50 0.00 0.00 58.65 58.87 3i6t h GLN 326 Cb 0.73 0.01 -0.02 0.00 0.05 0.00 0.00 27.48 28.25 3i6t h GLN 326 CO 0.00 0.93 0.22 0.00 -1.50 0.00 0.00 178.83 178.48 3i6t h ALA 327 N 0.68 2.04 0.15 3.87 0.00 -1.83 0.84 119.26 125.00 3i6t h ALA 327 Ca 0.04 -0.01 -0.36 0.00 0.00 0.00 0.00 54.91 54.58 3i6t h ALA 327 Cb 0.81 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.55 3i6t h ALA 327 CO 0.06 -0.10 -1.90 1.15 0.00 0.00 0.00 179.25 178.46 3i6t h THR 328 N 0.20 0.74 -0.00 0.00 2.02 -1.82 -3.43 112.91 110.62 3i6t h THR 328 Ca 0.14 -2.40 0.00 0.00 0.77 0.00 0.00 66.41 64.92 3i6t h THR 328 Cb 0.30 2.59 0.00 0.00 -1.74 0.00 0.00 68.15 69.31 3i6t h THR 328 CO -0.02 0.88 -0.03 -1.22 0.37 0.00 0.00 175.52 175.50 3i6t n TYR 329 N -3.54 0.00 0.00 3.16 4.02 -0.17 -4.89 117.16 115.74 3i6t n TYR 329 Ca -0.29 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.60 3i6t n TYR 329 Cb 1.05 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 40.37 3i6t n TYR 329 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 176.86 176.19 3i6t n PHE 330 N -0.65 -0.05 -2.06 -0.72 7.35 0.11 -4.89 117.46 116.54 3i6t n PHE 330 Ca 0.00 0.01 -0.41 0.00 -0.76 0.00 0.00 57.45 56.29 3i6t n PHE 330 Cb 0.02 0.18 -0.03 0.00 0.35 0.00 0.00 39.48 40.01 3i6t n PHE 330 CO 0.00 0.00 0.00 -0.51 -0.76 0.00 0.00 176.76 175.49 3i6t s LEU 331 N -5.71 4.39 0.19 -2.13 1.43 -0.16 0.04 118.68 116.74 3i6t s LEU 331 Ca 0.00 2.59 -0.09 0.00 -1.03 0.00 0.00 54.13 55.61 3i6t s LEU 331 Cb 0.00 -3.62 0.10 0.00 0.03 0.00 0.00 46.19 42.70 3i6t s LEU 331 CO 0.00 -0.67 1.69 0.00 0.23 0.00 0.00 176.35 177.60 3i6t s ASP 333 N -6.50 0.06 0.56 0.00 1.11 -1.26 -5.09 116.67 105.54 3i6t s ASP 333 Ca -0.12 -0.17 0.09 0.00 0.18 0.00 0.00 52.55 52.53 3i6t s ASP 333 Cb 0.14 0.16 0.07 0.00 1.07 0.00 0.00 42.92 44.36 3i6t s ASP 333 CO 0.85 -0.22 0.71 -0.62 1.18 0.00 0.00 175.17 177.07 3i6t s ASP 334 N -0.90 5.07 -0.04 0.27 2.15 -1.26 -4.88 116.67 117.07 3i6t s ASP 334 Ca -0.10 -0.88 0.16 0.00 0.43 0.00 0.00 52.55 52.16 3i6t s ASP 334 Cb -0.06 0.23 0.49 0.00 -0.30 0.00 0.00 42.92 43.28 3i6t s ASP 334 CO 0.00 -1.25 1.41 2.30 -0.17 0.00 0.00 175.17 177.46 3i6t n ILE 335 N -2.13 1.32 -3.43 4.11 -5.35 -1.26 -4.99 119.36 107.62 3i6t n ILE 335 Ca 0.12 -1.15 -0.28 0.00 -0.27 0.00 0.00 62.75 61.18 3i6t n ILE 335 Cb 0.62 0.34 -0.03 0.00 -1.74 0.00 0.00 39.64 38.83 3i6t n ILE 335 CO 0.00 0.00 0.00 -0.76 -1.76 0.00 0.00 176.55 174.03 3i6t s LEU 336 N -1.39 4.09 0.53 7.28 1.43 -1.26 -1.52 118.68 127.85 3i6t s LEU 336 Ca 0.37 0.60 0.32 0.00 -1.03 0.00 0.00 54.13 54.38 3i6t s LEU 336 Cb 0.22 -3.41 1.20 0.00 0.03 0.00 0.00 46.19 44.23 3i6t s LEU 336 CO 0.21 -0.17 1.92 0.00 0.23 0.00 0.00 176.35 178.54 3i6t h ALA 337 N 1.64 1.00 -2.34 4.21 0.00 -0.10 -3.41 119.26 120.27 3i6t h ALA 337 Ca -0.48 -0.01 -0.18 0.00 0.00 0.00 0.00 54.91 54.24 3i6t h ALA 337 Cb 1.19 -0.00 -0.15 0.00 0.00 0.00 0.00 17.79 18.83 3i6t h ALA 337 CO 0.66 0.01 -0.66 0.00 0.00 0.00 0.00 179.25 179.26 3i6t s ALA 338 N -3.60 0.84 0.22 0.00 0.00 -1.26 -5.01 121.76 112.95 3i6t s ALA 338 Ca 0.02 -1.40 -0.32 0.00 0.00 0.00 0.00 51.96 50.26 3i6t s ALA 338 Cb 0.08 0.59 -0.12 0.00 0.00 0.00 0.00 23.12 23.67 3i6t s ALA 338 CO 0.57 -0.41 1.65 -2.30 0.00 0.00 0.00 175.76 175.26 3i6t n PRO 339 N -0.05 2.60 -1.63 0.00 -0.02 -1.26 -4.91 135.00 129.73 3i6t n PRO 339 Ca -0.09 0.93 -0.51 0.00 -2.02 0.00 0.00 63.50 61.82 3i6t n PRO 339 Cb 0.63 -2.74 -0.05 0.00 -0.02 0.00 0.00 33.50 31.31 3i6t n PRO 339 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 3i6t n PHE 340 N 3.26 1.85 -2.63 6.00 7.35 -1.26 -4.79 117.46 127.24 3i6t n PHE 340 Ca 0.14 0.47 -0.43 0.00 -0.76 0.00 0.00 57.45 56.87 3i6t n PHE 340 Cb 0.34 -2.43 -0.02 0.00 0.35 0.00 0.00 39.48 37.72 3i6t n PHE 340 CO 0.00 0.00 0.00 -1.25 -0.76 0.00 0.00 176.76 174.75 3i6t s PRO 341 N 1.19 3.80 -0.03 -7.13 0.04 -1.26 -4.95 135.00 126.67 3i6t s PRO 341 Ca 0.85 0.67 0.01 0.00 0.04 0.00 0.00 61.00 62.57 3i6t s PRO 341 Cb -0.87 -3.86 0.02 0.00 0.04 0.00 0.00 34.50 29.83 3i6t s PRO 341 CO 0.47 -1.24 -0.01 0.08 0.04 0.00 0.00 177.00 176.33 3i6t s VAL 342 N 4.20 0.22 -0.05 -0.36 1.01 -1.26 -0.99 120.40 123.17 3i6t s VAL 342 Ca 0.47 0.04 -0.15 0.00 0.00 0.00 0.00 61.98 62.33 3i6t s VAL 342 Cb -0.09 -0.29 0.03 0.00 0.00 0.00 0.00 36.38 36.03 3i6t s VAL 342 CO 0.27 0.14 0.35 0.00 0.00 0.00 0.00 175.10 175.86 3i6t s ALA 343 N 0.86 -0.88 -1.46 5.51 0.00 -0.47 -4.94 121.76 120.38 3i6t s ALA 343 Ca -0.09 0.57 -0.06 0.00 0.00 0.00 0.00 51.96 52.38 3i6t s ALA 343 Cb -0.12 -0.10 0.03 0.00 0.00 0.00 0.00 23.12 22.92 3i6t s ALA 343 CO -0.01 -0.25 0.54 -0.25 0.00 0.00 0.00 175.76 175.79 3i6t n ASP 344 N 1.66 -5.26 -0.04 0.00 10.43 -1.26 -1.50 116.55 120.57 3i6t n ASP 344 Ca -0.19 -0.30 -0.01 0.00 2.57 0.00 0.00 54.79 56.86 3i6t n ASP 344 Cb 0.56 -4.29 -0.00 0.00 1.84 0.00 0.00 41.12 39.24 3i6t n ASP 344 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 3i6t n GLY 345 N -1.38 0.47 3.18 0.44 0.00 -1.12 -4.76 105.19 102.02 3i6t n GLY 345 Ca -0.09 -0.21 -0.17 0.00 0.00 0.00 0.00 46.02 45.56 3i6t n GLY 345 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3i6t s HIS 346 N -1.92 1.19 0.05 1.61 3.76 -0.56 -1.46 115.29 117.95 3i6t s HIS 346 Ca 0.00 -0.51 -0.30 0.00 -0.15 0.00 0.00 55.06 54.10 3i6t s HIS 346 Cb 0.00 -0.66 -0.04 0.00 1.11 0.00 0.00 32.58 32.99 3i6t s HIS 346 CO 0.00 0.05 0.96 0.08 -0.85 0.00 0.00 174.74 174.98 3i6t s VAL 347 N -1.63 4.70 -0.34 -0.90 1.01 0.12 -1.37 120.40 121.98 3i6t s VAL 347 Ca 0.01 2.04 -0.14 0.00 0.00 0.00 0.00 61.98 63.88 3i6t s VAL 347 Cb -0.08 -4.31 -0.02 0.00 0.00 0.00 0.00 36.38 31.98 3i6t s VAL 347 CO 0.02 0.24 0.29 -0.76 0.00 0.00 0.00 175.10 174.89 3i6t s LEU 348 N 0.50 4.45 -0.18 3.92 1.43 -0.16 -1.35 118.68 127.28 3i6t s LEU 348 Ca 0.49 -0.30 -0.29 0.00 -1.03 0.00 0.00 54.13 52.99 3i6t s LEU 348 Cb -0.22 -2.22 0.00 0.00 0.03 0.00 0.00 46.19 43.78 3i6t s LEU 348 CO 0.28 -0.26 1.03 -0.69 0.23 0.00 0.00 176.35 176.94 3i6t s VAL 349 N 1.85 4.72 0.83 -1.59 1.01 -0.28 -4.73 120.40 122.22 3i6t s VAL 349 Ca 0.09 2.04 -0.11 0.00 0.00 0.00 0.00 61.98 64.00 3i6t s VAL 349 Cb -0.17 -4.31 0.09 0.00 0.00 0.00 0.00 36.38 31.99 3i6t s VAL 349 CO 0.11 -0.11 1.10 -2.84 0.00 0.00 0.00 175.10 173.36 3i6t s PRO 350 N 2.73 1.73 -0.06 2.72 0.02 -1.26 -4.91 135.00 135.98 3i6t s PRO 350 Ca 0.46 1.19 0.08 0.00 0.02 0.00 0.00 61.00 62.74 3i6t s PRO 350 Cb -0.16 -1.84 0.12 0.00 0.02 0.00 0.00 34.50 32.65 3i6t s PRO 350 CO 0.11 -2.02 1.03 -0.40 -0.33 0.00 0.00 177.00 175.39 3i6t n ASP 351 N -3.78 1.84 -4.73 2.53 5.68 -1.26 -4.97 116.55 111.86 3i6t n ASP 351 Ca 0.09 -2.39 -0.24 0.00 -0.50 0.00 0.00 54.79 51.75 3i6t n ASP 351 Cb 0.53 -0.20 0.09 0.00 -1.14 0.00 0.00 41.12 40.40 3i6t n ASP 351 CO 0.00 0.00 0.00 0.42 -1.33 0.00 0.00 177.20 176.29 3i6t s THR 352 N -1.65 2.26 0.66 2.12 -4.23 -1.26 -4.57 115.64 108.97 3i6t s THR 352 Ca 0.14 -0.49 -0.17 0.00 -1.18 0.00 0.00 61.69 59.99 3i6t s THR 352 Cb 0.12 -2.77 0.00 0.00 1.34 0.00 0.00 72.50 71.19 3i6t s THR 352 CO 0.01 0.00 1.20 -2.84 -0.54 0.00 0.00 174.62 172.45 3i6t s PRO 353 N -5.15 2.57 5.02 3.99 0.02 -1.26 -3.53 135.00 136.67 3i6t s PRO 353 Ca 0.64 1.76 0.00 0.00 0.02 0.00 0.00 61.00 63.42 3i6t s PRO 353 Cb -0.07 -1.89 0.00 0.00 0.02 0.00 0.00 34.50 32.56 3i6t s PRO 353 CO 0.44 -1.50 0.00 0.41 -0.33 0.00 0.00 177.00 176.02 3i6t n GLY 354 N 0.36 1.88 0.10 0.52 0.00 0.28 -2.49 105.19 105.84 3i6t n GLY 354 Ca 0.13 -0.57 0.12 0.00 0.00 0.00 0.00 46.02 45.70 3i6t n GLY 354 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3i6t n LEU 355 N 0.00 0.61 0.00 0.99 4.77 -1.26 -1.32 117.00 120.79 3i6t n LEU 355 Ca 0.00 0.61 0.00 0.00 -0.03 0.00 0.00 56.01 56.59 3i6t n LEU 355 Cb 0.00 -0.47 0.00 0.00 -2.33 0.00 0.00 43.42 40.62 3i6t n LEU 355 CO 0.00 -0.36 0.00 0.61 -1.33 0.00 0.00 177.39 176.31 3i6t n GLY 356 N 0.56 2.30 3.00 -0.72 0.00 -1.04 -4.77 105.19 104.53 3i6t n GLY 356 Ca 0.04 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.85 3i6t n GLY 356 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3i6t s VAL 357 N -2.63 0.82 0.39 1.61 1.01 -1.26 -4.84 120.40 115.51 3i6t s VAL 357 Ca 0.00 -0.37 -0.26 0.00 0.00 0.00 0.00 61.98 61.35 3i6t s VAL 357 Cb 0.00 -0.74 -0.09 0.00 0.00 0.00 0.00 36.38 35.55 3i6t s VAL 357 CO 0.00 0.26 1.23 -1.81 0.00 0.00 0.00 175.10 174.78 3i6t s ASP 358 N 0.26 6.49 0.03 3.32 1.01 -1.26 -4.87 116.67 121.65 3i6t s ASP 358 Ca -0.04 2.49 -0.30 0.00 0.71 0.00 0.00 52.55 55.40 3i6t s ASP 358 Cb -0.10 -2.63 -0.05 0.00 1.01 0.00 0.00 42.92 41.16 3i6t s ASP 358 CO 0.01 -0.71 1.13 -0.69 0.21 0.00 0.00 175.17 175.12 3i6t s VAL 359 N -1.32 4.32 -0.80 -1.27 1.01 -1.26 0.62 120.40 121.70 3i6t s VAL 359 Ca 0.56 1.66 -0.24 0.00 0.00 0.00 0.00 61.98 63.96 3i6t s VAL 359 Cb -0.34 -4.07 0.05 0.00 0.00 0.00 0.00 36.38 32.02 3i6t s VAL 359 CO 0.44 0.11 1.23 -0.62 0.00 0.00 0.00 175.10 176.26 3i6t s ASP 360 N 1.09 6.29 0.58 3.32 -1.08 -0.57 -4.69 116.67 121.59 3i6t s ASP 360 Ca 0.56 -0.96 0.29 0.00 -0.52 0.00 0.00 52.55 51.92 3i6t s ASP 360 Cb -0.26 -2.51 1.75 0.00 -1.46 0.00 0.00 42.92 40.43 3i6t s ASP 360 CO 0.28 -1.59 2.22 -0.33 0.52 0.00 0.00 175.17 176.27 3i6t h GLU 361 N 9.75 0.00 -0.35 4.34 5.08 -1.95 0.76 114.58 132.21 3i6t h GLU 361 Ca -0.13 0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 58.18 3i6t h GLU 361 Cb 1.04 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.28 3i6t h GLU 361 CO 1.27 0.02 -0.00 -0.44 -1.00 0.00 0.00 179.01 178.86 3i6t h ASP 362 N 0.00 0.51 0.08 1.42 3.32 -1.97 -1.13 116.42 118.66 3i6t h ASP 362 Ca -0.00 -0.10 -0.17 0.00 0.02 0.00 0.00 57.03 56.78 3i6t h ASP 362 Cb 0.06 -0.13 -0.00 0.00 0.22 0.00 0.00 39.33 39.47 3i6t h ASP 362 CO 0.00 0.59 -0.63 0.00 -1.72 0.00 0.00 179.24 177.48 3i6t h ALA 363 N 1.48 0.63 -0.66 3.45 0.00 -1.21 -1.08 119.26 121.88 3i6t h ALA 363 Ca 0.11 -0.55 0.03 0.00 0.00 0.00 0.00 54.91 54.50 3i6t h ALA 363 Cb 0.34 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.02 3i6t h ALA 363 CO 0.01 0.71 0.40 -0.07 0.00 0.00 0.00 179.25 180.31 3i6t h LEU 364 N 0.39 0.65 -0.39 0.00 3.38 -1.16 -1.29 115.31 116.90 3i6t h LEU 364 Ca -0.01 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 57.82 3i6t h LEU 364 Cb 1.19 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.80 3i6t h LEU 364 CO 0.12 0.45 -0.30 0.00 0.09 0.00 0.00 178.44 178.80 3i6t h ALA 365 N 1.29 0.56 -0.75 1.53 0.00 -1.01 -1.73 119.26 119.15 3i6t h ALA 365 Ca 0.27 -0.42 -0.05 0.00 0.00 0.00 0.00 54.91 54.71 3i6t h ALA 365 Cb 0.04 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.67 3i6t h ALA 365 CO -0.11 0.60 0.29 -0.09 0.00 0.00 0.00 179.25 179.94 3i6t h ARG 366 N 0.70 1.13 -0.01 0.00 2.43 -0.82 -3.15 114.38 114.67 3i6t h ARG 366 Ca 0.07 -0.21 0.00 0.00 -0.81 0.00 0.00 59.98 59.03 3i6t h ARG 366 Cb 0.88 -0.18 0.00 0.00 -0.42 0.00 0.00 29.97 30.25 3i6t h ARG 366 CO 0.08 0.93 -0.34 1.19 -1.51 0.00 0.00 179.97 180.32 3i6t n PHE 367 N -4.31 0.00 -1.76 2.20 3.72 -0.52 -4.96 117.46 111.83 3i6t n PHE 367 Ca 0.06 0.00 -0.40 0.00 -0.05 0.00 0.00 57.45 57.06 3i6t n PHE 367 Cb 0.19 -0.05 0.01 0.00 -0.94 0.00 0.00 39.48 38.69 3i6t n PHE 367 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3i6t n ALA 368 N -0.24 2.07 1.94 4.37 0.00 -0.66 -1.24 120.51 126.74 3i6t n ALA 368 Ca 0.11 0.28 0.16 0.00 0.00 0.00 0.00 53.44 53.99 3i6t n ALA 368 Cb 0.41 -2.39 0.90 0.00 0.00 0.00 0.00 19.45 18.38 3i6t n ALA 368 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83