#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i2e s ALA 9 N 0.00 2.56 0.35 0.00 0.00 -1.26 -4.96 121.76 118.45 3i2e s ALA 9 Ca 0.00 0.40 -0.29 0.00 0.00 0.00 0.00 51.96 52.08 3i2e s ALA 9 Cb 0.00 -3.26 -0.11 0.00 0.00 0.00 0.00 23.12 19.75 3i2e s ALA 9 CO 0.00 -1.17 1.48 0.12 0.00 0.00 0.00 175.76 176.19 3i2e s PHE 10 N -2.54 2.69 0.00 0.00 5.36 -1.26 -2.20 117.98 120.03 3i2e s PHE 10 Ca 0.64 1.12 0.00 0.00 -0.96 0.00 0.00 56.93 57.73 3i2e s PHE 10 Cb -0.18 -3.98 0.00 0.00 -0.34 0.00 0.00 43.02 38.52 3i2e s PHE 10 CO 0.43 -2.95 0.00 0.41 -1.46 0.00 0.00 175.22 171.65 3i2e n GLY 11 N 0.87 1.53 3.74 13.12 0.00 -1.26 -4.45 105.19 118.73 3i2e n GLY 11 Ca 0.02 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.63 3i2e n GLY 11 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3i2e s ARG 12 N -0.44 4.45 0.02 1.61 6.06 -0.94 -1.33 118.95 128.37 3i2e s ARG 12 Ca 0.00 1.93 -0.08 0.00 -2.50 0.00 0.00 55.73 55.08 3i2e s ARG 12 Cb 0.00 -3.23 0.00 0.00 0.06 0.00 0.00 34.95 31.78 3i2e s ARG 12 CO 0.00 -0.17 0.16 0.00 -2.50 0.00 0.00 175.30 172.79 3i2e s ALA 13 N 0.11 -0.33 -0.01 6.12 0.00 -1.26 -4.48 121.76 121.91 3i2e s ALA 13 Ca 0.55 -0.19 0.01 0.00 0.00 0.00 0.00 51.96 52.33 3i2e s ALA 13 Cb -0.34 0.17 -0.01 0.00 0.00 0.00 0.00 23.12 22.94 3i2e s ALA 13 CO 0.36 -0.26 0.01 0.25 0.00 0.00 0.00 175.76 176.12 3i2e n THR 14 N 1.16 0.03 -4.26 0.00 -2.24 0.11 -4.91 114.28 104.16 3i2e n THR 14 Ca -0.21 -0.03 -0.15 0.00 -2.27 0.00 0.00 64.05 61.39 3i2e n THR 14 Cb 0.57 -0.34 -0.10 0.00 -2.10 0.00 0.00 70.33 68.35 3i2e n THR 14 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 3i2e s HIS 15 N -2.04 1.31 -0.07 4.78 3.76 -0.19 -0.56 115.29 122.27 3i2e s HIS 15 Ca -0.00 -0.77 -0.03 0.00 -0.15 0.00 0.00 55.06 54.11 3i2e s HIS 15 Cb 0.00 -0.67 0.04 0.00 1.11 0.00 0.00 32.58 33.06 3i2e s HIS 15 CO 0.04 0.08 0.15 0.00 -0.85 0.00 0.00 174.74 174.15 3i2e s ALA 16 N -3.32 -0.21 -0.23 -1.40 0.00 -0.52 -1.46 121.76 114.62 3i2e s ALA 16 Ca 0.18 0.62 -0.09 0.00 0.00 0.00 0.00 51.96 52.67 3i2e s ALA 16 Cb 0.03 -0.58 -0.04 0.00 0.00 0.00 0.00 23.12 22.53 3i2e s ALA 16 CO 0.01 -0.30 0.12 0.08 0.00 0.00 0.00 175.76 175.67 3i2e s VAL 17 N 1.58 4.91 0.39 0.00 1.01 0.26 -0.79 120.40 127.76 3i2e s VAL 17 Ca -0.05 0.02 0.04 0.00 0.00 0.00 0.00 61.98 61.99 3i2e s VAL 17 Cb -0.12 -3.28 -0.03 0.00 0.00 0.00 0.00 36.38 32.95 3i2e s VAL 17 CO -0.06 0.36 0.11 0.68 0.00 0.00 0.00 175.10 176.19 3i2e s VAL 18 N 1.17 0.73 -0.13 2.92 -7.23 -0.31 -1.41 120.40 116.13 3i2e s VAL 18 Ca 0.06 -2.00 -0.08 0.00 -1.81 0.00 0.00 61.98 58.15 3i2e s VAL 18 Cb -0.14 -2.43 0.05 0.00 0.56 0.00 0.00 36.38 34.41 3i2e s VAL 18 CO 0.04 0.00 0.31 -0.60 -0.31 0.00 0.00 175.10 174.54 3i2e s ARG 19 N -3.76 0.29 0.51 4.82 3.52 -1.26 -0.99 118.95 122.08 3i2e s ARG 19 Ca 0.26 0.59 -0.23 0.00 -0.13 0.00 0.00 55.73 56.22 3i2e s ARG 19 Cb 0.04 -0.03 -0.06 0.00 -1.56 0.00 0.00 34.95 33.33 3i2e s ARG 19 CO 0.14 -0.14 1.40 0.00 -0.81 0.00 0.00 175.30 175.89 3i2e s ALA 20 N 1.09 2.99 0.07 6.12 0.00 -0.82 -4.44 121.76 126.76 3i2e s ALA 20 Ca -0.08 1.41 -0.20 0.00 0.00 0.00 0.00 51.96 53.10 3i2e s ALA 20 Cb -0.08 -3.59 -0.07 0.00 0.00 0.00 0.00 23.12 19.39 3i2e s ALA 20 CO -0.08 -1.34 0.59 -0.48 0.00 0.00 0.00 175.76 174.45 3i2e s LEU 21 N -3.22 4.51 0.53 0.00 0.05 -1.26 -3.98 118.68 115.32 3i2e s LEU 21 Ca 0.68 1.28 -0.10 0.00 0.05 0.00 0.00 54.13 56.03 3i2e s LEU 21 Cb -0.42 -2.94 -0.05 0.00 -2.05 0.00 0.00 46.19 40.73 3i2e s LEU 21 CO 0.52 0.24 0.91 -2.16 -0.55 0.00 0.00 176.35 175.31 3i2e s PRO 22 N -0.95 3.66 0.46 1.48 0.04 -1.26 -4.92 135.00 133.51 3i2e s PRO 22 Ca 0.30 0.57 0.14 0.00 0.04 0.00 0.00 61.00 62.05 3i2e s PRO 22 Cb -0.20 -2.22 1.05 0.00 0.04 0.00 0.00 34.50 33.17 3i2e s PRO 22 CO 0.19 -0.34 2.03 0.93 0.04 0.00 0.00 177.00 179.85 3i2e h GLU 23 N 0.24 0.05 0.00 4.56 4.39 -1.94 -2.21 114.58 119.67 3i2e h GLU 23 Ca -0.46 -0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.24 3i2e h GLU 23 Cb 1.19 -0.01 0.00 0.00 -0.10 0.00 0.00 28.75 29.83 3i2e h GLU 23 CO 0.62 0.16 0.00 0.66 -1.16 0.00 0.00 179.01 179.29 3i2e h SER 24 N 0.05 0.00 -0.56 1.42 4.64 -1.93 -3.15 113.55 114.02 3i2e h SER 24 Ca 0.01 0.00 0.08 0.00 -0.47 0.00 0.00 61.79 61.41 3i2e h SER 24 Cb 0.22 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 62.24 3i2e h SER 24 CO 0.01 0.00 0.22 0.25 -0.87 0.00 0.00 176.83 176.44 3i2e h LEU 25 N 0.00 0.23 -0.74 5.97 6.46 -1.57 0.25 115.31 125.92 3i2e h LEU 25 Ca 0.00 0.07 0.14 0.00 -0.12 0.00 0.00 57.88 57.97 3i2e h LEU 25 Cb 0.17 0.04 -0.14 0.00 -0.73 0.00 0.00 40.66 40.01 3i2e h LEU 25 CO 0.00 0.15 -0.24 1.23 -0.62 0.00 0.00 178.44 178.96 3i2e h GLY 26 N 0.40 0.36 0.00 3.75 0.00 -1.78 -1.86 103.07 103.94 3i2e h GLY 26 Ca 0.28 0.32 -0.20 0.00 0.00 0.00 0.00 47.33 47.72 3i2e h GLY 26 CO -0.27 -0.27 -2.07 -1.06 0.00 0.00 0.00 176.54 172.87 3i2e n GLN 27 N -5.49 0.93 -0.00 4.80 1.13 -1.16 -4.54 117.38 113.04 3i2e n GLN 27 Ca 0.09 -0.07 0.09 0.00 -1.94 0.00 0.00 57.00 55.17 3i2e n GLN 27 Cb 0.38 -1.45 -0.13 0.00 0.11 0.00 0.00 30.24 29.15 3i2e n GLN 27 CO 0.00 0.00 0.00 0.72 -1.44 0.00 0.00 177.06 176.34 3i2e n HIS 28 N -2.46 0.00 -1.94 1.08 8.25 0.07 -4.99 115.22 115.23 3i2e n HIS 28 Ca -0.19 0.00 -0.37 0.00 -0.26 0.00 0.00 57.72 56.90 3i2e n HIS 28 Cb 0.85 -0.23 0.03 0.00 1.12 0.00 0.00 29.99 31.77 3i2e n HIS 28 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3i2e s ALA 29 N -3.09 2.72 0.43 -1.41 0.00 -0.71 -4.87 121.76 114.84 3i2e s ALA 29 Ca -0.00 1.15 -0.24 0.00 0.00 0.00 0.00 51.96 52.87 3i2e s ALA 29 Cb 0.13 -3.50 -0.08 0.00 0.00 0.00 0.00 23.12 19.68 3i2e s ALA 29 CO 0.80 -1.20 1.14 -0.51 0.00 0.00 0.00 175.76 175.99 3i2e s LEU 30 N -3.68 4.09 -0.13 0.00 1.43 -1.26 -5.03 118.68 114.09 3i2e s LEU 30 Ca 0.73 2.27 -0.06 0.00 -1.03 0.00 0.00 54.13 56.03 3i2e s LEU 30 Cb -0.35 -4.16 0.05 0.00 0.03 0.00 0.00 46.19 41.76 3i2e s LEU 30 CO 0.40 -0.76 0.30 0.00 0.23 0.00 0.00 176.35 176.52 3i2e s ARG 31 N -2.54 0.25 0.49 1.70 1.70 -1.26 -4.75 118.95 114.54 3i2e s ARG 31 Ca 0.60 0.66 0.33 0.00 -0.47 0.00 0.00 55.73 56.85 3i2e s ARG 31 Cb -0.28 -0.06 1.73 0.00 -0.57 0.00 0.00 34.95 35.77 3i2e s ARG 31 CO 0.34 -0.19 2.00 0.66 -1.08 0.00 0.00 175.30 177.04 3i2e h SER 32 N 7.40 0.00 -4.37 -2.89 4.64 -1.88 -3.43 113.55 113.02 3i2e h SER 32 Ca -0.34 0.00 -0.13 0.00 -0.47 0.00 0.00 61.79 60.85 3i2e h SER 32 Cb 1.15 0.00 -0.23 0.00 -0.31 0.00 0.00 62.40 63.02 3i2e h SER 32 CO 0.30 0.00 -0.29 0.00 -0.87 0.00 0.00 176.83 175.97 3i2e s ALA 33 N -3.80 -0.84 0.50 5.18 0.00 -1.26 -5.03 121.76 116.50 3i2e s ALA 33 Ca -0.03 0.70 -0.22 0.00 0.00 0.00 0.00 51.96 52.41 3i2e s ALA 33 Cb 0.10 -0.28 -0.06 0.00 0.00 0.00 0.00 23.12 22.87 3i2e s ALA 33 CO 0.33 -0.21 1.18 0.15 0.00 0.00 0.00 175.76 177.22 3i2e s LYS 34 N -0.49 3.55 0.00 0.00 -0.14 -1.26 -4.97 119.74 116.42 3i2e s LYS 34 Ca -0.06 1.80 0.00 0.00 -1.36 0.00 0.00 55.97 56.35 3i2e s LYS 34 Cb -0.04 -2.27 0.00 0.00 -1.68 0.00 0.00 37.83 33.84 3i2e s LYS 34 CO 0.02 -0.73 0.00 0.41 -0.76 0.00 0.00 175.35 174.29 3i2e n GLY 35 N 0.43 2.60 3.79 -3.33 0.00 -1.26 -5.16 105.19 102.26 3i2e n GLY 35 Ca 0.09 -0.52 -0.32 0.00 0.00 0.00 0.00 46.02 45.28 3i2e n GLY 35 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3i2e s GLU 36 N 1.63 2.75 0.35 1.61 2.02 -1.26 -4.99 118.70 120.80 3i2e s GLU 36 Ca 0.00 1.14 -0.28 0.00 0.02 0.00 0.00 54.97 55.85 3i2e s GLU 36 Cb 0.00 -1.96 -0.10 0.00 0.10 0.00 0.00 34.13 32.17 3i2e s GLU 36 CO 0.00 -1.26 1.27 -2.00 0.02 0.00 0.00 175.26 173.29 3i2e s GLU 37 N -4.67 4.29 0.08 1.61 2.12 -1.26 -4.99 118.70 115.88 3i2e s GLU 37 Ca 0.62 2.12 -0.27 0.00 0.36 0.00 0.00 54.97 57.80 3i2e s GLU 37 Cb -0.16 -2.99 -0.06 0.00 0.26 0.00 0.00 34.13 31.18 3i2e s GLU 37 CO 0.50 -0.21 0.83 0.08 -0.54 0.00 0.00 175.26 175.92 3i2e s VAL 38 N -1.19 4.63 -0.65 3.70 1.01 -1.26 -5.00 120.40 121.64 3i2e s VAL 38 Ca 0.51 1.78 -0.19 0.00 0.00 0.00 0.00 61.98 64.08 3i2e s VAL 38 Cb -0.38 -4.19 0.11 0.00 0.00 0.00 0.00 36.38 31.92 3i2e s VAL 38 CO 0.50 0.36 0.78 -0.62 0.00 0.00 0.00 175.10 176.12 3i2e s ASP 39 N -0.11 6.26 0.24 3.32 -1.08 -1.26 -4.92 116.67 119.12 3i2e s ASP 39 Ca 0.41 -1.51 -0.07 0.00 -0.52 0.00 0.00 52.55 50.86 3i2e s ASP 39 Cb -0.22 -2.32 0.24 0.00 -1.46 0.00 0.00 42.92 39.17 3i2e s ASP 39 CO 0.25 -1.12 1.92 0.58 0.52 0.00 0.00 175.17 177.32 3i2e h VAL 40 N 5.85 1.25 -0.34 1.11 2.07 -1.95 0.52 116.25 124.76 3i2e h VAL 40 Ca -0.23 -0.46 -0.00 0.00 0.82 0.00 0.00 66.70 66.83 3i2e h VAL 40 Cb 1.08 -0.18 -0.02 0.00 -1.52 0.00 0.00 31.29 30.65 3i2e h VAL 40 CO 1.09 0.24 0.21 0.00 0.02 0.00 0.00 177.57 179.14 3i2e h ALA 41 N 1.35 0.44 -0.65 1.67 0.00 -1.99 0.17 119.26 120.25 3i2e h ALA 41 Ca 0.36 -0.05 -0.05 0.00 0.00 0.00 0.00 54.91 55.16 3i2e h ALA 41 Cb -0.15 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.48 3i2e h ALA 41 CO -0.08 -0.07 0.19 -0.09 0.00 0.00 0.00 179.25 179.21 3i2e h ARG 42 N 0.45 1.02 -0.79 0.00 9.65 -1.86 -1.11 114.38 121.74 3i2e h ARG 42 Ca 0.12 -0.23 -0.04 0.00 -1.10 0.00 0.00 59.98 58.73 3i2e h ARG 42 Cb -0.00 -0.14 -0.04 0.00 -1.39 0.00 0.00 29.97 28.40 3i2e h ARG 42 CO -0.02 0.90 0.33 0.00 2.80 0.00 0.00 179.97 183.98 3i2e h ALA 43 N 1.08 1.03 -0.55 2.80 0.00 -0.57 -0.57 119.26 122.48 3i2e h ALA 43 Ca 0.21 -0.19 0.02 0.00 0.00 0.00 0.00 54.91 54.95 3i2e h ALA 43 Cb 0.31 -0.31 -0.03 0.00 0.00 0.00 0.00 17.79 17.76 3i2e h ALA 43 CO -0.00 0.64 0.34 1.49 0.00 0.00 0.00 179.25 181.72 3i2e h GLU 44 N 1.15 0.66 -0.47 0.00 4.57 -0.18 0.15 114.58 120.45 3i2e h GLU 44 Ca 0.27 -0.04 -0.12 0.00 -1.18 0.00 0.00 59.36 58.29 3i2e h GLU 44 Cb 0.20 -0.15 -0.02 0.00 -0.16 0.00 0.00 28.75 28.62 3i2e h GLU 44 CO -0.02 0.43 -0.17 -0.09 -1.18 0.00 0.00 179.01 177.98 3i2e h ARG 45 N 0.68 0.92 -0.46 1.92 9.65 -0.75 -1.56 114.38 124.78 3i2e h ARG 45 Ca 0.22 -0.36 -0.10 0.00 -1.10 0.00 0.00 59.98 58.64 3i2e h ARG 45 Cb 0.00 -0.05 -0.02 0.00 -1.39 0.00 0.00 29.97 28.51 3i2e h ARG 45 CO -0.09 1.01 -0.11 1.96 2.80 0.00 0.00 179.97 185.54 3i2e h GLN 46 N 0.81 0.84 -0.47 0.20 4.20 -0.68 -1.53 115.11 118.47 3i2e h GLN 46 Ca 0.12 -0.29 -0.09 0.00 0.06 0.00 0.00 58.65 58.44 3i2e h GLN 46 Cb 0.71 -0.07 -0.02 0.00 0.30 0.00 0.00 27.48 28.41 3i2e h GLN 46 CO 0.05 0.91 -0.08 1.25 -0.67 0.00 0.00 178.83 180.29 3i2e h HIS 47 N 0.76 0.93 -0.42 2.96 2.76 -0.78 -1.10 115.15 120.26 3i2e h HIS 47 Ca 0.12 -0.17 -0.09 0.00 -2.20 0.00 0.00 60.37 58.04 3i2e h HIS 47 Cb 0.62 -0.24 -0.02 0.00 1.55 0.00 0.00 27.41 29.32 3i2e h HIS 47 CO 0.03 0.89 -0.10 1.96 -1.30 0.00 0.00 177.93 179.42 3i2e h GLN 48 N 0.77 0.75 -0.38 5.26 4.20 -0.94 -0.91 115.11 123.86 3i2e h GLN 48 Ca 0.13 -0.24 -0.10 0.00 0.06 0.00 0.00 58.65 58.50 3i2e h GLN 48 Cb 0.58 -0.07 -0.01 0.00 0.30 0.00 0.00 27.48 28.29 3i2e h GLN 48 CO 0.04 0.83 -0.17 -0.07 -0.67 0.00 0.00 178.83 178.79 3i2e h LEU 49 N 0.69 0.81 -0.12 1.46 3.38 -1.00 0.83 115.31 121.36 3i2e h LEU 49 Ca 0.12 -0.40 0.03 0.00 0.09 0.00 0.00 57.88 57.72 3i2e h LEU 49 Cb 0.57 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 41.06 3i2e h LEU 49 CO 0.04 1.03 -0.06 0.22 0.09 0.00 0.00 178.44 179.75 3i2e h TYR 50 N 0.59 -0.15 -0.52 1.13 3.20 -0.94 -0.21 116.97 120.07 3i2e h TYR 50 Ca 0.09 0.01 -0.06 0.00 3.14 0.00 0.00 58.73 61.91 3i2e h TYR 50 Cb 0.72 0.09 -0.02 0.00 1.54 0.00 0.00 36.73 39.05 3i2e h TYR 50 CO 0.06 -0.10 0.09 0.28 -1.64 0.00 0.00 178.16 176.84 3i2e h VAL 51 N -0.06 1.23 -0.42 1.81 2.07 -1.06 -2.49 116.25 117.33 3i2e h VAL 51 Ca 0.07 -0.88 -0.02 0.00 0.82 0.00 0.00 66.70 66.68 3i2e h VAL 51 Cb 0.16 0.74 -0.02 0.00 -1.52 0.00 0.00 31.29 30.65 3i2e h VAL 51 CO -0.16 0.32 0.16 1.23 0.02 0.00 0.00 177.57 179.15 3i2e h GLY 52 N 0.97 0.64 0.69 2.17 0.00 0.00 -1.57 103.07 105.97 3i2e h GLY 52 Ca 0.17 -0.31 -0.04 0.00 0.00 0.00 0.00 47.33 47.15 3i2e h GLY 52 CO 0.01 0.29 -0.10 -2.08 0.00 0.00 0.00 176.54 174.66 3i2e h VAL 53 N 0.59 1.35 -0.55 4.60 2.07 -0.63 -1.33 116.25 122.35 3i2e h VAL 53 Ca 0.15 -1.23 -0.05 0.00 0.82 0.00 0.00 66.70 66.39 3i2e h VAL 53 Cb 0.13 1.91 -0.02 0.00 -1.52 0.00 0.00 31.29 31.80 3i2e h VAL 53 CO -0.01 0.35 0.17 -0.07 0.02 0.00 0.00 177.57 178.02 3i2e h LEU 54 N -0.13 0.81 0.00 2.57 3.38 -1.28 0.44 115.31 121.10 3i2e h LEU 54 Ca 0.02 -0.21 0.00 0.00 0.09 0.00 0.00 57.88 57.78 3i2e h LEU 54 Cb 0.60 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 41.14 3i2e h LEU 54 CO 0.02 0.81 0.00 0.61 0.09 0.00 0.00 178.44 179.97 3i2e n GLY 55 N -0.69 -0.49 0.14 0.83 0.00 -0.61 -1.54 105.19 102.84 3i2e n GLY 55 Ca 0.02 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.95 3i2e n GLY 55 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 3i2e h SER 56 N 0.00 -0.29 0.02 1.61 0.02 -1.53 0.26 113.55 113.63 3i2e h SER 56 Ca 0.00 0.06 -0.07 0.00 -0.84 0.00 0.00 61.79 60.94 3i2e h SER 56 Cb 0.00 0.15 0.01 0.00 0.14 0.00 0.00 62.40 62.69 3i2e h SER 56 CO 0.00 -0.13 -0.29 0.50 -1.14 0.00 0.00 176.83 175.77 3i2e h LYS 57 N -0.12 0.16 0.00 3.45 3.64 -1.26 -3.37 116.57 119.07 3i2e h LYS 57 Ca 0.07 -0.20 0.00 0.00 -1.27 0.00 0.00 60.65 59.25 3i2e h LYS 57 Cb 0.22 0.06 0.00 0.00 -0.41 0.00 0.00 32.23 32.10 3i2e h LYS 57 CO -0.17 0.98 -0.84 1.28 -2.27 0.00 0.00 179.45 178.43 3i2e n LEU 58 N -4.47 0.63 0.00 5.20 4.77 0.14 -4.99 117.00 118.28 3i2e n LEU 58 Ca -0.10 0.05 0.00 0.00 -0.03 0.00 0.00 56.01 55.93 3i2e n LEU 58 Cb 0.55 -0.14 0.00 0.00 -2.33 0.00 0.00 43.42 41.50 3i2e n LEU 58 CO 0.40 0.03 0.00 0.61 -1.33 0.00 0.00 177.39 177.09 3i2e n GLY 59 N 1.38 0.76 3.78 -0.72 0.00 0.92 -4.94 105.19 106.36 3i2e n GLY 59 Ca 0.03 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.70 3i2e n GLY 59 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3i2e s LEU 60 N 0.00 3.75 -0.25 0.99 1.43 -0.59 -4.96 118.68 119.05 3i2e s LEU 60 Ca 0.00 2.16 -0.27 0.00 -1.03 0.00 0.00 54.13 54.99 3i2e s LEU 60 Cb 0.00 -4.58 0.01 0.00 0.03 0.00 0.00 46.19 41.65 3i2e s LEU 60 CO 0.00 -1.19 0.95 -1.10 0.23 0.00 0.00 176.35 175.24 3i2e s GLN 61 N -3.28 4.18 -0.21 1.70 -0.21 0.27 -4.25 119.66 117.86 3i2e s GLN 61 Ca 0.72 1.11 -0.12 0.00 0.02 0.00 0.00 55.36 57.09 3i2e s GLN 61 Cb -0.23 -3.66 -0.05 0.00 1.00 0.00 0.00 33.01 30.07 3i2e s GLN 61 CO 0.27 -0.63 0.24 0.08 -2.12 0.00 0.00 175.29 173.12 3i2e s VAL 62 N 3.12 5.32 -0.36 1.09 1.01 -1.26 -1.43 120.40 127.89 3i2e s VAL 62 Ca 0.40 0.39 -0.10 0.00 0.00 0.00 0.00 61.98 62.67 3i2e s VAL 62 Cb -0.15 -3.58 0.02 0.00 0.00 0.00 0.00 36.38 32.68 3i2e s VAL 62 CO 0.08 0.34 0.18 -0.69 0.00 0.00 0.00 175.10 175.02 3i2e s VAL 63 N 0.90 4.47 -0.37 2.92 1.01 0.03 -4.97 120.40 124.39 3i2e s VAL 63 Ca 0.12 -0.80 -0.12 0.00 0.00 0.00 0.00 61.98 61.18 3i2e s VAL 63 Cb -0.13 -3.45 0.01 0.00 0.00 0.00 0.00 36.38 32.81 3i2e s VAL 63 CO 0.04 -0.16 0.22 -1.61 0.00 0.00 0.00 175.10 173.60 3i2e s GLU 64 N 1.55 3.07 0.33 2.72 2.02 -1.26 -1.17 118.70 125.95 3i2e s GLU 64 Ca 0.02 -0.93 -0.26 0.00 0.02 0.00 0.00 54.97 53.83 3i2e s GLU 64 Cb -0.19 -3.77 -0.10 0.00 0.10 0.00 0.00 34.13 30.17 3i2e s GLU 64 CO 0.06 -0.62 0.95 -0.51 0.02 0.00 0.00 175.26 175.16 3i2e s LEU 65 N 1.62 4.32 0.35 1.80 1.43 -0.16 -4.92 118.68 123.11 3i2e s LEU 65 Ca 0.04 1.84 -0.27 0.00 -1.03 0.00 0.00 54.13 54.70 3i2e s LEU 65 Cb -0.18 -4.04 -0.09 0.00 0.03 0.00 0.00 46.19 41.90 3i2e s LEU 65 CO 0.08 -0.09 1.21 -2.16 0.23 0.00 0.00 176.35 175.62 3i2e s PRO 66 N -2.11 4.29 0.67 1.29 0.04 -1.26 -1.94 135.00 135.98 3i2e s PRO 66 Ca 0.51 1.98 -0.15 0.00 0.04 0.00 0.00 61.00 63.38 3i2e s PRO 66 Cb -0.18 -2.94 0.00 0.00 0.04 0.00 0.00 34.50 31.42 3i2e s PRO 66 CO 0.23 -0.16 1.11 0.00 0.04 0.00 0.00 177.00 178.23 3i2e s ALA 67 N -1.25 2.45 -0.22 8.56 0.00 -1.26 -4.73 121.76 125.31 3i2e s ALA 67 Ca 0.51 0.53 -0.01 0.00 0.00 0.00 0.00 51.96 53.00 3i2e s ALA 67 Cb -0.35 -3.32 0.06 0.00 0.00 0.00 0.00 23.12 19.52 3i2e s ALA 67 CO 0.45 -1.32 -0.00 0.34 0.00 0.00 0.00 175.76 175.22 3i2e s ASP 68 N -2.63 3.49 0.61 0.00 -1.08 -1.26 -4.99 116.67 110.81 3i2e s ASP 68 Ca 0.67 -1.08 0.29 0.00 -0.52 0.00 0.00 52.55 51.91 3i2e s ASP 68 Cb -0.20 -0.92 1.54 0.00 -1.46 0.00 0.00 42.92 41.87 3i2e s ASP 68 CO 0.43 -0.28 1.94 -0.33 0.52 0.00 0.00 175.17 177.44 3i2e h GLU 69 N 8.08 0.00 -0.00 4.34 4.39 -1.96 0.22 114.58 129.65 3i2e h GLU 69 Ca -0.17 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.53 3i2e h GLU 69 Cb 1.09 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.74 3i2e h GLU 69 CO 0.39 0.00 -0.16 -1.13 -1.16 0.00 0.00 179.01 176.95 3i2e n SER 70 N -3.55 0.28 -3.83 1.42 3.41 -1.26 -4.22 113.62 105.87 3i2e n SER 70 Ca 0.05 -0.07 -0.28 0.00 -0.26 0.00 0.00 58.87 58.31 3i2e n SER 70 Cb 0.54 -0.16 -0.12 0.00 -0.26 0.00 0.00 64.21 64.21 3i2e n SER 70 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 3i2e s LEU 71 N -2.81 4.25 0.48 1.04 1.43 0.78 -4.97 118.68 118.89 3i2e s LEU 71 Ca 0.19 -3.66 0.30 0.00 -1.03 0.00 0.00 54.13 49.93 3i2e s LEU 71 Cb 0.19 -1.45 1.64 0.00 0.03 0.00 0.00 46.19 46.60 3i2e s LEU 71 CO 0.55 -0.11 1.92 1.55 0.23 0.00 0.00 176.35 180.49 3i2e h PRO 72 N 5.54 0.00 -0.02 1.29 0.13 -1.73 -2.10 132.00 135.10 3i2e h PRO 72 Ca 0.14 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.27 3i2e h PRO 72 Cb 0.79 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.92 3i2e h PRO 72 CO 0.66 0.00 -0.04 -0.25 -0.23 0.00 0.00 178.00 178.14 3i2e n ASP 73 N -2.59 2.54 0.34 1.44 8.00 -1.26 -4.23 116.55 120.78 3i2e n ASP 73 Ca -0.02 -1.77 0.14 0.00 0.71 0.00 0.00 54.79 53.85 3i2e n ASP 73 Cb 0.10 0.04 0.75 0.00 -0.02 0.00 0.00 41.12 41.99 3i2e n ASP 73 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3i2e h VAL 75 N 0.00 0.65 -1.15 0.00 3.04 -1.78 -3.34 116.25 113.68 3i2e h VAL 75 Ca 0.00 -0.72 -0.75 0.00 -1.01 0.00 0.00 66.70 64.22 3i2e h VAL 75 Cb 0.78 1.46 -0.13 0.00 -2.01 0.00 0.00 31.29 31.39 3i2e h VAL 75 CO -0.00 0.16 2.25 0.49 -1.01 0.00 0.00 177.57 179.46 3i2e n PHE 76 N -3.65 2.95 0.30 3.17 0.99 -0.44 -4.44 117.46 116.33 3i2e n PHE 76 Ca -0.01 -2.82 0.17 0.00 -0.00 0.00 0.00 57.45 54.79 3i2e n PHE 76 Cb 0.29 -2.02 0.95 0.00 -1.00 0.00 0.00 39.48 37.70 3i2e n PHE 76 CO 0.00 0.00 0.00 -0.39 -0.00 0.00 0.00 176.76 176.37 3i2e h VAL 77 N 3.64 0.33 -0.42 -4.37 -1.51 -1.62 -2.96 116.25 109.34 3i2e h VAL 77 Ca 0.46 -0.18 0.05 0.00 -1.23 0.00 0.00 66.70 65.80 3i2e h VAL 77 Cb 0.59 1.13 -0.02 0.00 -2.13 0.00 0.00 31.29 30.85 3i2e h VAL 77 CO 1.65 0.03 0.28 -0.08 -1.23 0.00 0.00 177.57 178.22 3i2e h GLU 78 N 0.00 0.37 0.00 5.19 4.81 -1.56 -2.33 114.58 121.05 3i2e h GLU 78 Ca -0.00 -0.02 -0.03 0.00 -0.13 0.00 0.00 59.36 59.18 3i2e h GLU 78 Cb 0.13 -0.08 -0.00 0.00 0.63 0.00 0.00 28.75 29.42 3i2e h GLU 78 CO 0.00 0.24 -0.14 -0.44 -0.73 0.00 0.00 179.01 177.94 3i2e h ASP 79 N 0.38 0.00 0.05 1.04 3.32 -1.76 -3.24 116.42 116.20 3i2e h ASP 79 Ca 0.18 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.23 3i2e h ASP 79 Cb 0.23 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.78 3i2e h ASP 79 CO -0.04 0.14 -0.14 1.33 -1.72 0.00 0.00 179.24 178.82 3i2e n VAL 80 N -3.29 0.00 -3.56 -1.35 0.24 -0.88 -1.22 118.33 108.28 3i2e n VAL 80 Ca 0.00 -0.27 -0.14 0.00 -2.04 0.00 0.00 64.34 61.89 3i2e n VAL 80 Cb 0.39 0.79 -0.06 0.00 -1.47 0.00 0.00 33.84 33.49 3i2e n VAL 80 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3i2e s ALA 81 N -2.20 -1.84 -0.09 2.33 0.00 -1.22 -2.04 121.76 116.69 3i2e s ALA 81 Ca 0.30 1.50 0.00 0.00 0.00 0.00 0.00 51.96 53.76 3i2e s ALA 81 Cb 0.20 -0.43 0.02 0.00 0.00 0.00 0.00 23.12 22.91 3i2e s ALA 81 CO 0.41 -0.34 -0.08 0.08 0.00 0.00 0.00 175.76 175.83 3i2e s VAL 82 N -0.97 0.98 -0.12 0.00 1.01 -0.52 -4.78 120.40 116.01 3i2e s VAL 82 Ca -0.06 -0.31 0.01 0.00 0.00 0.00 0.00 61.98 61.62 3i2e s VAL 82 Cb -0.01 -0.98 -0.01 0.00 0.00 0.00 0.00 36.38 35.38 3i2e s VAL 82 CO 0.05 0.35 -0.16 -0.69 0.00 0.00 0.00 175.10 174.65 3i2e s VAL 83 N 1.37 2.80 -0.12 2.92 1.01 -1.26 -0.47 120.40 126.64 3i2e s VAL 83 Ca -0.02 -0.75 -0.03 0.00 0.00 0.00 0.00 61.98 61.18 3i2e s VAL 83 Cb -0.14 -2.15 0.04 0.00 0.00 0.00 0.00 36.38 34.14 3i2e s VAL 83 CO -0.04 0.53 0.04 0.00 0.00 0.00 0.00 175.10 175.64 3i2e n GLU 85 N 5.18 0.00 -0.41 0.00 1.02 -1.26 -1.70 120.64 123.48 3i2e n GLU 85 Ca -0.07 0.00 0.11 0.00 -0.02 0.00 0.00 57.16 57.19 3i2e n GLU 85 Cb 0.49 0.00 0.33 0.00 -0.02 0.00 0.00 31.44 32.24 3i2e n GLU 85 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 3i2e n GLU 86 N 14.00 2.85 -4.89 3.49 4.71 -1.26 -4.69 120.64 134.85 3i2e n GLU 86 Ca 0.00 -2.65 -0.33 0.00 -0.01 0.00 0.00 57.16 54.17 3i2e n GLU 86 Cb 0.00 -1.62 -0.14 0.00 -1.01 0.00 0.00 31.44 28.67 3i2e n GLU 86 CO 0.00 0.00 0.00 0.99 0.09 0.00 0.00 177.13 178.21 3i2e s THR 87 N -1.16 2.93 -0.14 2.62 2.01 -0.69 -0.66 115.64 120.57 3i2e s THR 87 Ca 0.49 -0.74 0.02 0.00 0.31 0.00 0.00 61.69 61.78 3i2e s THR 87 Cb 0.26 -2.18 0.01 0.00 0.01 0.00 0.00 72.50 70.61 3i2e s THR 87 CO 0.32 0.56 -0.21 0.00 -0.69 0.00 0.00 174.62 174.59 3i2e s ALA 88 N -0.15 2.19 -0.28 7.40 0.00 0.19 -1.32 121.76 129.78 3i2e s ALA 88 Ca -0.01 -1.06 -0.13 0.00 0.00 0.00 0.00 51.96 50.76 3i2e s ALA 88 Cb -0.14 -0.98 -0.04 0.00 0.00 0.00 0.00 23.12 21.96 3i2e s ALA 88 CO 0.03 -0.05 0.28 -1.17 0.00 0.00 0.00 175.76 174.85 3i2e s LEU 89 N 0.85 4.07 -0.43 0.00 2.96 0.38 -1.29 118.68 125.23 3i2e s LEU 89 Ca -0.07 0.08 -0.22 0.00 -0.22 0.00 0.00 54.13 53.70 3i2e s LEU 89 Cb -0.15 -2.26 0.02 0.00 0.50 0.00 0.00 46.19 44.30 3i2e s LEU 89 CO -0.02 -0.13 0.74 -0.63 -1.32 0.00 0.00 176.35 174.99 3i2e s ILE 90 N 1.90 4.72 1.03 6.68 -1.09 0.11 -1.44 121.20 133.11 3i2e s ILE 90 Ca 0.10 0.42 -0.15 0.00 -2.23 0.00 0.00 60.65 58.80 3i2e s ILE 90 Cb -0.16 -4.26 0.21 0.00 -1.58 0.00 0.00 42.46 36.66 3i2e s ILE 90 CO 0.11 -0.62 1.14 0.42 -1.23 0.00 0.00 174.94 174.75 3i2e s THR 91 N 3.11 1.88 -0.53 2.92 -4.23 -0.87 -0.80 115.64 117.13 3i2e s THR 91 Ca 0.28 0.00 0.04 0.00 -1.18 0.00 0.00 61.69 60.82 3i2e s THR 91 Cb -0.13 -2.62 0.15 0.00 1.34 0.00 0.00 72.50 71.23 3i2e s THR 91 CO 0.21 0.00 0.32 -0.60 -0.54 0.00 0.00 174.62 174.00 3i2e s ARG 92 N -5.29 1.75 0.26 3.99 3.52 -1.24 -4.67 118.95 117.27 3i2e s ARG 92 Ca 0.67 -2.53 -0.26 0.00 -0.13 0.00 0.00 55.73 53.48 3i2e s ARG 92 Cb -0.13 -2.81 -0.16 0.00 -1.56 0.00 0.00 34.95 30.29 3i2e s ARG 92 CO 0.55 -1.20 0.50 -2.30 -0.81 0.00 0.00 175.30 172.04 3i2e n PRO 93 N 2.96 0.17 -0.17 5.12 -0.02 -1.22 -0.56 135.00 141.28 3i2e n PRO 93 Ca 0.12 0.06 -0.01 0.00 -2.02 0.00 0.00 63.50 61.66 3i2e n PRO 93 Cb 0.35 -1.12 0.23 0.00 -0.02 0.00 0.00 33.50 32.94 3i2e n PRO 93 CO 0.00 0.00 0.00 0.78 1.98 0.00 0.00 175.50 178.26 3i2e h GLY 94 N 0.97 0.97 -6.99 -1.23 0.00 -1.76 -3.38 103.07 91.65 3i2e h GLY 94 Ca -0.31 -0.44 -0.60 0.00 0.00 0.00 0.00 47.33 45.98 3i2e h GLY 94 CO 0.55 0.42 0.65 0.00 0.00 0.00 0.00 176.54 178.16 3i2e s ALA 95 N -5.57 3.17 0.28 3.60 0.00 -1.26 -4.94 121.76 117.03 3i2e s ALA 95 Ca -0.10 -0.97 -0.06 0.00 0.00 0.00 0.00 51.96 50.83 3i2e s ALA 95 Cb 0.17 -3.75 0.52 0.00 0.00 0.00 0.00 23.12 20.06 3i2e s ALA 95 CO 0.79 -2.29 1.58 -1.35 0.00 0.00 0.00 175.76 174.48 3i2e h PRO 96 N 9.25 0.01 -0.01 0.00 0.11 -1.98 0.01 132.00 139.39 3i2e h PRO 96 Ca -0.25 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.86 3i2e h PRO 96 Cb 1.07 -0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.18 3i2e h PRO 96 CO 1.08 0.01 0.02 0.66 -0.21 0.00 0.00 178.00 179.56 3i2e h SER 97 N 0.01 0.00 1.13 -2.05 4.64 -1.93 -1.40 113.55 113.96 3i2e h SER 97 Ca 0.49 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.81 3i2e h SER 97 Cb 0.85 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.94 3i2e h SER 97 CO -0.91 0.00 0.00 0.54 -0.87 0.00 0.00 176.83 175.59 3i2e n ARG 98 N -3.75 0.10 0.24 4.77 1.74 -0.01 -3.39 116.66 116.35 3i2e n ARG 98 Ca -0.03 0.10 0.16 0.00 -0.77 0.00 0.00 57.85 57.32 3i2e n ARG 98 Cb 0.10 -1.62 0.80 0.00 -1.02 0.00 0.00 32.46 30.72 3i2e n ARG 98 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3i2e h ARG 99 N 0.00 0.00 0.00 5.56 3.08 -1.32 -1.05 114.38 120.64 3i2e h ARG 99 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3i2e h ARG 99 Cb 0.57 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.62 3i2e h ARG 99 CO 0.00 0.00 0.00 1.63 -1.07 0.00 0.00 179.97 180.53 3i2e n LYS 100 N -2.71 0.37 0.10 0.04 5.02 -1.22 -2.79 118.16 116.98 3i2e n LYS 100 Ca -0.01 0.06 0.09 0.00 -2.02 0.00 0.00 58.31 56.44 3i2e n LYS 100 Cb 0.14 -1.50 -0.00 0.00 -0.02 0.00 0.00 35.03 33.65 3i2e n LYS 100 CO 0.00 0.00 0.00 0.93 -0.52 0.00 0.00 177.40 177.81 3i2e h GLU 101 N 0.00 0.00 0.03 1.97 5.08 -1.45 -3.41 114.58 116.80 3i2e h GLU 101 Ca 0.00 0.00 0.02 0.00 -1.00 0.00 0.00 59.36 58.38 3i2e h GLU 101 Cb 0.19 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.41 3i2e h GLU 101 CO 0.00 0.07 -0.20 0.28 -1.00 0.00 0.00 179.01 178.16 3i2e h VAL 102 N 0.00 0.54 -0.94 3.13 2.07 -1.67 -3.26 116.25 116.11 3i2e h VAL 102 Ca -0.03 0.00 0.15 0.00 0.82 0.00 0.00 66.70 67.64 3i2e h VAL 102 Cb 1.12 0.54 -0.08 0.00 -1.52 0.00 0.00 31.29 31.34 3i2e h VAL 102 CO 0.01 0.00 0.60 0.44 0.02 0.00 0.00 177.57 178.64 3i2e h ASP 103 N -0.34 0.74 -0.23 0.57 3.32 -1.80 -0.56 116.42 118.13 3i2e h ASP 103 Ca 0.05 0.05 -0.11 0.00 0.02 0.00 0.00 57.03 57.04 3i2e h ASP 103 Cb 0.40 -0.09 -0.01 0.00 0.22 0.00 0.00 39.33 39.84 3i2e h ASP 103 CO -0.16 0.36 -0.22 -0.03 -1.72 0.00 0.00 179.24 177.47 3i2e h MET 104 N 0.78 0.69 -0.28 3.56 4.05 -1.86 -1.68 114.93 120.20 3i2e h MET 104 Ca 0.48 -0.27 -0.06 0.00 -0.28 0.00 0.00 59.70 59.57 3i2e h MET 104 Cb 0.70 -0.04 -0.01 0.00 -0.80 0.00 0.00 31.60 31.46 3i2e h MET 104 CO -0.25 0.86 -0.07 1.98 0.23 0.00 0.00 176.91 179.66 3i2e h MET 105 N 0.61 0.54 -0.19 0.39 1.85 -1.37 -2.57 114.93 114.19 3i2e h MET 105 Ca 0.09 -0.21 0.05 0.00 -0.61 0.00 0.00 59.70 59.02 3i2e h MET 105 Cb 0.70 -0.03 -0.06 0.00 0.43 0.00 0.00 31.60 32.64 3i2e h MET 105 CO 0.05 0.75 -0.22 -0.22 -0.40 0.00 0.00 176.91 176.87 3i2e h LYS 106 N 0.29 -0.24 -0.28 0.39 3.64 -0.89 0.22 116.57 119.70 3i2e h LYS 106 Ca 0.07 0.02 -0.03 0.00 -1.27 0.00 0.00 60.65 59.44 3i2e h LYS 106 Cb 0.55 0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 32.41 3i2e h LYS 106 CO 0.03 -0.16 0.05 0.93 -2.27 0.00 0.00 179.45 178.03 3i2e h GLU 107 N -0.25 0.40 -0.36 1.90 5.08 -1.29 -0.61 114.58 119.44 3i2e h GLU 107 Ca 0.12 -0.06 -0.13 0.00 -1.00 0.00 0.00 59.36 58.29 3i2e h GLU 107 Cb 0.43 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.60 3i2e h GLU 107 CO -0.34 0.39 -0.29 0.00 -1.00 0.00 0.00 179.01 177.77 3i2e h ALA 108 N 1.67 0.52 -0.15 3.43 0.00 -0.89 -2.71 119.26 121.13 3i2e h ALA 108 Ca 0.09 -0.41 -0.11 0.00 0.00 0.00 0.00 54.91 54.48 3i2e h ALA 108 Cb 0.18 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 3i2e h ALA 108 CO -0.00 0.55 -0.39 -0.07 0.00 0.00 0.00 179.25 179.34 3i2e h LEU 109 N 0.63 0.34 -0.96 0.00 3.38 -0.43 -2.55 115.31 115.72 3i2e h LEU 109 Ca 0.07 -0.14 -0.03 0.00 0.09 0.00 0.00 57.88 57.86 3i2e h LEU 109 Cb 0.86 -0.10 -0.03 0.00 0.09 0.00 0.00 40.66 41.48 3i2e h LEU 109 CO 0.08 0.70 0.33 -0.33 0.09 0.00 0.00 178.44 179.31 3i2e h GLU 110 N 0.28 1.08 0.00 1.13 5.08 -1.03 -1.60 114.58 119.52 3i2e h GLU 110 Ca 0.03 -0.17 -0.04 0.00 -1.00 0.00 0.00 59.36 58.19 3i2e h GLU 110 Cb 0.81 -0.19 -0.01 0.00 0.50 0.00 0.00 28.75 29.86 3i2e h GLU 110 CO 0.06 0.85 -0.17 0.87 -1.00 0.00 0.00 179.01 179.63 3i2e h LYS 111 N 1.07 0.00 -0.16 2.33 1.57 -1.14 -0.22 116.57 120.02 3i2e h LYS 111 Ca 0.25 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.03 3i2e h LYS 111 Cb 0.15 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.46 3i2e h LYS 111 CO -0.03 0.17 0.00 1.28 -0.57 0.00 0.00 179.45 180.30 3i2e n LEU 112 N -3.43 1.01 -2.82 2.94 4.77 -0.63 -4.91 117.00 113.94 3i2e n LEU 112 Ca -0.00 -0.48 -0.21 0.00 -0.03 0.00 0.00 56.01 55.28 3i2e n LEU 112 Cb 0.35 -0.11 0.03 0.00 -2.33 0.00 0.00 43.42 41.37 3i2e n LEU 112 CO 0.31 0.24 -0.04 0.00 -1.33 0.00 0.00 177.39 176.57 3i2e n GLN 113 N -0.01 -4.29 -3.20 3.23 6.02 -0.09 -5.00 117.38 114.03 3i2e n GLN 113 Ca 0.10 0.90 -0.32 0.00 -0.01 0.00 0.00 57.00 57.67 3i2e n GLN 113 Cb 0.18 -5.67 -0.05 0.00 1.02 0.00 0.00 30.24 25.72 3i2e n GLN 113 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 3i2e s LEU 114 N -6.37 4.07 0.07 1.08 1.43 -1.04 -5.02 118.68 112.90 3i2e s LEU 114 Ca 0.25 1.12 -0.31 0.00 -1.03 0.00 0.00 54.13 54.16 3i2e s LEU 114 Cb -0.11 -3.92 -0.06 0.00 0.03 0.00 0.00 46.19 42.13 3i2e s LEU 114 CO 0.31 -0.19 1.21 0.20 0.23 0.00 0.00 176.35 178.12 3i2e s ASN 115 N -2.45 7.06 -0.13 2.29 0.02 0.17 -4.71 114.94 117.19 3i2e s ASN 115 Ca 0.51 2.05 -0.04 0.00 -1.02 0.00 0.00 52.86 54.37 3i2e s ASN 115 Cb -0.11 -2.58 -0.03 0.00 0.02 0.00 0.00 41.25 38.55 3i2e s ASN 115 CO 0.21 -0.48 0.00 -0.63 0.02 0.00 0.00 177.10 176.22 3i2e s ILE 116 N 1.00 4.30 -0.09 0.60 -1.09 -1.26 -0.64 121.20 124.02 3i2e s ILE 116 Ca 0.59 -0.23 -0.00 0.00 -2.23 0.00 0.00 60.65 58.77 3i2e s ILE 116 Cb -0.30 -2.86 0.02 0.00 -1.58 0.00 0.00 42.46 37.74 3i2e s ILE 116 CO 0.30 0.54 -0.04 -0.69 -1.23 0.00 0.00 174.94 173.81 3i2e s VAL 117 N -0.21 0.73 -0.17 2.92 1.01 -0.41 -4.98 120.40 119.29 3i2e s VAL 117 Ca 0.05 -0.12 -0.07 0.00 0.00 0.00 0.00 61.98 61.84 3i2e s VAL 117 Cb -0.12 -0.79 -0.04 0.00 0.00 0.00 0.00 36.38 35.42 3i2e s VAL 117 CO 0.02 0.31 0.07 -1.61 0.00 0.00 0.00 175.10 173.89 3i2e s GLU 118 N 1.67 3.88 -0.70 2.72 2.02 -1.26 0.05 118.70 127.09 3i2e s GLU 118 Ca 0.02 -0.32 -0.26 0.00 0.02 0.00 0.00 54.97 54.43 3i2e s GLU 118 Cb -0.13 -3.20 0.04 0.00 0.10 0.00 0.00 34.13 30.94 3i2e s GLU 118 CO -0.06 0.35 1.18 1.41 0.02 0.00 0.00 175.26 178.16 3i2e s MET 119 N 0.16 3.20 -0.08 1.61 -2.45 0.02 -4.80 119.30 116.96 3i2e s MET 119 Ca 0.05 -0.35 0.17 0.00 -1.25 0.00 0.00 55.69 54.31 3i2e s MET 119 Cb -0.12 -4.17 -0.25 0.00 1.25 0.00 0.00 34.83 31.54 3i2e s MET 119 CO 0.00 -2.00 0.26 1.63 1.05 0.00 0.00 175.02 175.96 3i2e n LYS 120 N 8.81 0.84 -1.55 4.11 4.76 -1.26 -4.40 118.16 129.48 3i2e n LYS 120 Ca 0.02 -0.10 -0.59 0.00 -2.87 0.00 0.00 58.31 54.77 3i2e n LYS 120 Cb 0.48 -1.43 -0.09 0.00 -1.84 0.00 0.00 35.03 32.15 3i2e n LYS 120 CO 0.00 0.00 0.00 -3.47 -1.37 0.00 0.00 177.40 172.56 3i2e n ASP 121 N -2.32 1.70 0.09 4.39 -0.08 -1.26 -4.79 116.55 114.28 3i2e n ASP 121 Ca -0.13 0.86 0.07 0.00 -1.51 0.00 0.00 54.79 54.08 3i2e n ASP 121 Cb 0.70 -1.05 0.36 0.00 2.34 0.00 0.00 41.12 43.47 3i2e n ASP 121 CO 0.00 0.00 0.00 -1.84 0.12 0.00 0.00 177.20 175.48 3i2e n GLU 122 N 6.22 0.09 -0.18 -0.67 0.28 -1.26 -0.92 120.64 124.20 3i2e n GLU 122 Ca 0.38 0.56 0.10 0.00 -0.16 0.00 0.00 57.16 58.03 3i2e n GLU 122 Cb 0.07 -1.77 0.19 0.00 1.43 0.00 0.00 31.44 31.36 3i2e n GLU 122 CO 0.00 0.00 0.00 0.09 -0.16 0.00 0.00 177.13 177.06 3i2e n ASN 123 N -1.95 3.19 -4.45 -1.84 3.02 -1.26 -4.95 115.26 107.02 3i2e n ASN 123 Ca -0.00 -1.92 -0.33 0.00 -0.03 0.00 0.00 54.58 52.30 3i2e n ASN 123 Cb 0.04 -0.24 -0.13 0.00 -0.61 0.00 0.00 39.78 38.84 3i2e n ASN 123 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3i2e s ALA 124 N -1.24 2.65 0.02 5.41 0.00 -0.10 -4.75 121.76 123.76 3i2e s ALA 124 Ca 0.33 -0.96 0.00 0.00 0.00 0.00 0.00 51.96 51.33 3i2e s ALA 124 Cb 0.19 -1.02 -0.01 0.00 0.00 0.00 0.00 23.12 22.27 3i2e s ALA 124 CO 0.26 0.48 -0.03 0.95 0.00 0.00 0.00 175.76 177.43 3i2e s THR 125 N -0.48 0.13 -0.28 0.00 -4.23 -1.26 -4.81 115.64 104.71 3i2e s THR 125 Ca 0.06 -0.63 -0.17 0.00 -1.18 0.00 0.00 61.69 59.77 3i2e s THR 125 Cb -0.12 -0.22 0.11 0.00 1.34 0.00 0.00 72.50 73.61 3i2e s THR 125 CO 0.02 -0.32 0.84 -0.22 -0.54 0.00 0.00 174.62 174.40 3i2e s LEU 126 N -0.99 -0.72 -0.17 4.79 0.20 0.28 -2.16 118.68 119.91 3i2e s LEU 126 Ca -0.10 1.17 -0.07 0.00 0.69 0.00 0.00 54.13 55.81 3i2e s LEU 126 Cb -0.07 2.07 -0.04 0.00 -0.43 0.00 0.00 46.19 47.72 3i2e s LEU 126 CO -0.01 -0.19 0.08 -1.81 -0.29 0.00 0.00 176.35 174.14 3i2e s ASP 127 N 1.40 5.79 0.56 3.68 1.11 -1.26 -3.40 116.67 124.56 3i2e s ASP 127 Ca -0.09 0.16 0.26 0.00 0.18 0.00 0.00 52.55 53.06 3i2e s ASP 127 Cb -0.04 -1.96 1.53 0.00 1.07 0.00 0.00 42.92 43.52 3i2e s ASP 127 CO -0.16 0.22 2.06 1.23 1.18 0.00 0.00 175.17 179.70 3i2e h GLY 128 N 6.36 0.00 2.00 0.21 0.00 -1.21 0.03 103.07 110.46 3i2e h GLY 128 Ca -0.41 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.92 3i2e h GLY 128 CO 0.69 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.84 3i2e n GLY 129 N -1.49 -1.08 0.83 4.60 0.00 -1.26 -1.64 105.19 105.15 3i2e n GLY 129 Ca 0.04 0.13 0.11 0.00 0.00 0.00 0.00 46.02 46.31 3i2e n GLY 129 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3i2e n ASP 130 N -2.22 2.50 -4.49 1.61 8.00 -0.00 -2.53 116.55 119.42 3i2e n ASP 130 Ca 0.01 -1.84 -0.35 0.00 0.71 0.00 0.00 54.79 53.32 3i2e n ASP 130 Cb 0.14 -0.14 -0.12 0.00 -0.02 0.00 0.00 41.12 40.98 3i2e n ASP 130 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3i2e s VAL 131 N -1.72 4.10 -0.24 2.53 1.01 -0.65 -0.22 120.40 125.20 3i2e s VAL 131 Ca 0.35 -0.27 0.00 0.00 0.00 0.00 0.00 61.98 62.06 3i2e s VAL 131 Cb 0.20 -2.84 0.04 0.00 0.00 0.00 0.00 36.38 33.78 3i2e s VAL 131 CO 0.29 0.44 -0.10 -0.22 0.00 0.00 0.00 175.10 175.52 3i2e s LEU 132 N 0.78 3.12 -0.35 3.92 2.96 0.22 -4.91 118.68 124.42 3i2e s LEU 132 Ca 0.01 -1.03 -0.12 0.00 -0.22 0.00 0.00 54.13 52.76 3i2e s LEU 132 Cb -0.14 -1.59 -0.00 0.00 0.50 0.00 0.00 46.19 44.95 3i2e s LEU 132 CO 0.02 -0.13 0.23 0.12 -1.32 0.00 0.00 176.35 175.27 3i2e s PHE 133 N 1.24 3.22 -1.12 5.38 5.36 -1.26 -0.98 117.98 129.82 3i2e s PHE 133 Ca -0.02 -0.43 0.27 0.00 -0.96 0.00 0.00 56.93 55.79 3i2e s PHE 133 Cb -0.17 -2.47 0.88 0.00 -0.34 0.00 0.00 43.02 40.91 3i2e s PHE 133 CO -0.06 -0.45 1.66 0.25 -1.46 0.00 0.00 175.22 175.16 3i2e n THR 134 N 5.08 0.00 0.00 0.12 -2.24 -0.45 -4.89 114.28 111.90 3i2e n THR 134 Ca -0.12 -0.01 0.00 0.00 -2.27 0.00 0.00 64.05 61.64 3i2e n THR 134 Cb 0.49 -0.06 0.00 0.00 -2.10 0.00 0.00 70.33 68.66 3i2e n THR 134 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3i2e n GLY 135 N 1.46 2.61 0.00 3.38 0.00 -1.26 -4.54 105.19 106.84 3i2e n GLY 135 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.10 3i2e n GLY 135 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 3i2e n ARG 136 N -0.71 0.23 -3.59 1.61 1.85 -1.26 -5.08 116.66 109.71 3i2e n ARG 136 Ca 0.00 -0.28 0.02 0.00 -1.00 0.00 0.00 57.85 56.59 3i2e n ARG 136 Cb 0.00 -0.76 -0.00 0.00 -1.05 0.00 0.00 32.46 30.65 3i2e n ARG 136 CO 0.00 0.00 0.00 -1.83 -0.01 0.00 0.00 177.63 175.79 3i2e s GLU 137 N -0.11 0.20 0.05 2.89 -1.05 -1.26 -4.55 118.70 114.86 3i2e s GLU 137 Ca 0.00 -0.11 0.05 0.00 -0.15 0.00 0.00 54.97 54.76 3i2e s GLU 137 Cb 0.00 0.07 -0.04 0.00 -0.44 0.00 0.00 34.13 33.72 3i2e s GLU 137 CO 0.00 -0.09 -0.10 -0.06 0.95 0.00 0.00 175.26 175.96 3i2e s PHE 138 N -2.22 2.78 -0.11 4.83 0.40 0.04 -1.34 117.98 122.36 3i2e s PHE 138 Ca 0.14 -0.12 0.00 0.00 -0.60 0.00 0.00 56.93 56.36 3i2e s PHE 138 Cb 0.06 -1.52 0.02 0.00 0.51 0.00 0.00 43.02 42.09 3i2e s PHE 138 CO -0.05 0.37 -0.11 -0.06 0.70 0.00 0.00 175.22 176.07 3i2e s PHE 139 N -1.06 1.71 -0.17 0.36 0.40 -0.15 -1.58 117.98 117.49 3i2e s PHE 139 Ca 0.18 -0.85 -0.01 0.00 -0.60 0.00 0.00 56.93 55.65 3i2e s PHE 139 Cb -0.11 -1.32 -0.00 0.00 0.51 0.00 0.00 43.02 42.10 3i2e s PHE 139 CO 0.09 -0.51 -0.13 0.08 0.70 0.00 0.00 175.22 175.45 3i2e s VAL 140 N 1.41 2.75 0.05 -0.44 1.01 0.50 -0.61 120.40 125.08 3i2e s VAL 140 Ca 0.01 -0.73 -0.30 0.00 0.00 0.00 0.00 61.98 60.96 3i2e s VAL 140 Cb -0.13 -2.18 -0.04 0.00 0.00 0.00 0.00 36.38 34.02 3i2e s VAL 140 CO -0.06 0.50 0.99 -0.83 0.00 0.00 0.00 175.10 175.70 3i2e s GLY 141 N 0.99 2.91 -0.41 4.51 0.00 0.69 -0.77 107.32 115.24 3i2e s GLY 141 Ca -0.02 0.59 -0.19 0.00 0.00 0.00 0.00 44.72 45.10 3i2e s GLY 141 CO -0.02 1.62 0.53 1.08 0.00 0.00 0.00 173.10 176.31 3i2e s LEU 142 N 0.56 4.61 0.00 0.66 1.43 -0.22 -4.62 118.68 121.09 3i2e s LEU 142 Ca 0.50 -0.40 0.00 0.00 -1.03 0.00 0.00 54.13 53.20 3i2e s LEU 142 Cb -0.23 -2.56 0.00 0.00 0.03 0.00 0.00 46.19 43.43 3i2e s LEU 142 CO 0.29 -0.64 0.00 -1.54 0.23 0.00 0.00 176.35 174.70 3i2e n SER 143 N 5.89 0.68 0.26 2.29 3.41 -0.01 -1.40 113.62 124.74 3i2e n SER 143 Ca -0.05 -0.15 0.15 0.00 -0.26 0.00 0.00 58.87 58.57 3i2e n SER 143 Cb 0.48 0.00 0.52 0.00 -0.26 0.00 0.00 64.21 64.95 3i2e n SER 143 CO 0.00 0.00 0.00 0.07 -0.16 0.00 0.00 175.04 174.95 3i2e h LYS 144 N 0.00 0.00 0.00 4.33 -0.00 -1.86 -3.25 116.57 115.79 3i2e h LYS 144 Ca 0.00 0.00 -0.14 0.00 -0.00 0.00 0.00 60.65 60.51 3i2e h LYS 144 Cb 0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 32.23 32.20 3i2e h LYS 144 CO 0.00 0.02 -1.93 0.54 -0.00 0.00 0.00 179.45 178.08 3i2e n ARG 145 N -3.11 0.97 -4.70 0.07 5.12 -1.26 -4.95 116.66 108.80 3i2e n ARG 145 Ca 0.02 -0.08 -0.32 0.00 -1.93 0.00 0.00 57.85 55.53 3i2e n ARG 145 Cb 0.38 -1.40 -0.17 0.00 -1.16 0.00 0.00 32.46 30.11 3i2e n ARG 145 CO 0.00 0.00 0.00 0.99 -1.93 0.00 0.00 177.63 176.69 3i2e s THR 146 N -2.78 2.05 0.47 0.55 2.01 -1.23 -3.29 115.64 113.42 3i2e s THR 146 Ca -0.07 -0.97 0.06 0.00 0.31 0.00 0.00 61.69 61.01 3i2e s THR 146 Cb 0.08 -1.81 -0.02 0.00 0.01 0.00 0.00 72.50 70.76 3i2e s THR 146 CO 0.68 0.55 0.23 0.54 -0.69 0.00 0.00 174.62 175.92 3i2e s ASN 147 N 0.79 4.46 0.22 3.53 2.20 -0.92 -0.83 114.94 124.39 3i2e s ASN 147 Ca -0.08 -1.22 -0.09 0.00 -0.94 0.00 0.00 52.86 50.53 3i2e s ASN 147 Cb -0.16 -0.02 0.32 0.00 -2.00 0.00 0.00 41.25 39.39 3i2e s ASN 147 CO -0.01 -0.78 1.69 -0.61 -2.94 0.00 0.00 177.10 174.45 3i2e h GLN 148 N 1.18 0.23 -0.81 3.55 5.75 -1.94 -1.66 115.11 121.41 3i2e h GLN 148 Ca -0.41 -0.01 0.04 0.00 -0.15 0.00 0.00 58.65 58.12 3i2e h GLN 148 Cb 1.28 -0.05 -0.05 0.00 1.07 0.00 0.00 27.48 29.73 3i2e h GLN 148 CO 0.66 0.15 0.51 0.00 -2.65 0.00 0.00 178.83 177.50 3i2e h ARG 149 N 0.23 0.94 -0.56 1.69 2.47 -1.91 -0.50 114.38 116.75 3i2e h ARG 149 Ca 0.33 -0.06 0.00 0.00 -1.26 0.00 0.00 59.98 59.00 3i2e h ARG 149 Cb 0.52 -0.21 -0.03 0.00 -1.65 0.00 0.00 29.97 28.60 3i2e h ARG 149 CO -0.45 0.62 0.35 0.78 0.56 0.00 0.00 179.97 181.84 3i2e h GLY 150 N 0.97 0.80 1.01 0.04 0.00 -1.46 -1.01 103.07 103.43 3i2e h GLY 150 Ca 0.33 -0.32 -0.00 0.00 0.00 0.00 0.00 47.33 47.34 3i2e h GLY 150 CO -0.13 0.31 0.49 0.00 0.00 0.00 0.00 176.54 177.21 3i2e h ALA 151 N 1.19 1.02 -0.72 3.60 0.00 -0.83 -0.89 119.26 122.63 3i2e h ALA 151 Ca 0.20 -0.09 -0.04 0.00 0.00 0.00 0.00 54.91 54.99 3i2e h ALA 151 Cb -0.05 -0.32 -0.03 0.00 0.00 0.00 0.00 17.79 17.38 3i2e h ALA 151 CO -0.04 0.48 0.28 0.93 0.00 0.00 0.00 179.25 180.90 3i2e h GLU 152 N 1.10 1.08 -0.49 0.00 5.08 -0.60 -0.18 114.58 120.58 3i2e h GLU 152 Ca 0.29 -0.20 -0.09 0.00 -1.00 0.00 0.00 59.36 58.36 3i2e h GLU 152 Cb -0.06 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 29.00 3i2e h GLU 152 CO -0.06 0.89 -0.05 0.82 -1.00 0.00 0.00 179.01 179.62 3i2e h ILE 153 N 1.03 1.25 -0.49 3.13 2.04 -0.75 -0.37 117.51 123.36 3i2e h ILE 153 Ca 0.24 -1.11 -0.06 0.00 1.00 0.00 0.00 64.86 64.93 3i2e h ILE 153 Cb 0.22 0.93 -0.02 0.00 -0.74 0.00 0.00 36.82 37.21 3i2e h ILE 153 CO -0.02 0.39 0.06 0.25 0.00 0.00 0.00 178.15 178.83 3i2e h LEU 154 N 0.78 0.78 -1.01 1.44 6.46 -0.63 -0.68 115.31 122.45 3i2e h LEU 154 Ca 0.14 -0.27 -0.03 0.00 -0.12 0.00 0.00 57.88 57.60 3i2e h LEU 154 Cb 0.54 -0.21 -0.03 0.00 -0.73 0.00 0.00 40.66 40.23 3i2e h LEU 154 CO 0.03 0.86 0.29 0.00 -0.62 0.00 0.00 178.44 179.00 3i2e h ALA 155 N 0.96 1.22 0.00 1.25 0.00 -0.72 -1.34 119.26 120.63 3i2e h ALA 155 Ca 0.15 -0.16 -0.06 0.00 0.00 0.00 0.00 54.91 54.84 3i2e h ALA 155 Cb 0.42 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 3i2e h ALA 155 CO 0.01 0.58 -0.26 0.22 0.00 0.00 0.00 179.25 179.80 3i2e h ASP 156 N 0.99 0.00 0.44 0.00 1.82 -0.69 -3.16 116.42 115.81 3i2e h ASP 156 Ca 0.23 0.00 -0.31 0.00 -0.39 0.00 0.00 57.03 56.56 3i2e h ASP 156 Cb 0.16 0.00 0.01 0.00 0.68 0.00 0.00 39.33 40.19 3i2e h ASP 156 CO -0.02 0.26 -1.42 0.74 -1.61 0.00 0.00 179.24 177.18 3i2e h THR 157 N 0.00 1.31 -2.55 2.25 2.02 -0.25 -3.38 112.91 112.31 3i2e h THR 157 Ca -0.00 -2.84 -0.69 0.00 0.77 0.00 0.00 66.41 63.64 3i2e h THR 157 Cb 0.75 2.93 -0.36 0.00 -1.74 0.00 0.00 68.15 69.73 3i2e h THR 157 CO 0.03 0.85 -0.02 0.49 0.37 0.00 0.00 175.52 177.25 3i2e n PHE 158 N -3.59 3.13 0.31 3.16 3.01 -0.59 -4.89 117.46 118.01 3i2e n PHE 158 Ca -0.14 -3.53 0.18 0.00 1.01 0.00 0.00 57.45 54.97 3i2e n PHE 158 Cb 1.06 -0.87 1.03 0.00 -0.01 0.00 0.00 39.48 40.70 3i2e n PHE 158 CO 0.00 0.00 0.00 0.87 1.01 0.00 0.00 176.76 178.64 3i2e h LYS 159 N 4.79 0.00 0.00 -1.08 1.79 -1.75 -2.19 116.57 118.13 3i2e h LYS 159 Ca 0.20 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.67 3i2e h LYS 159 Cb 0.65 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.30 3i2e h LYS 159 CO 1.04 0.00 0.00 -0.25 -1.08 0.00 0.00 179.45 179.16 3i2e n ASP 160 N -3.52 0.02 -4.14 0.86 10.43 -1.26 -4.81 116.55 114.12 3i2e n ASP 160 Ca -0.03 0.50 -0.17 0.00 2.57 0.00 0.00 54.79 57.66 3i2e n ASP 160 Cb 0.10 -0.51 -0.12 0.00 1.84 0.00 0.00 41.12 42.43 3i2e n ASP 160 CO 0.00 0.00 0.00 -0.31 -1.07 0.00 0.00 177.20 175.82 3i2e s TYR 161 N -3.01 1.08 0.46 1.24 1.51 -0.82 -5.05 117.35 112.76 3i2e s TYR 161 Ca 0.09 -0.46 -0.21 0.00 -1.01 0.00 0.00 57.07 55.48 3i2e s TYR 161 Cb 0.12 -0.62 -0.09 0.00 -0.11 0.00 0.00 41.96 41.27 3i2e s TYR 161 CO 0.35 0.02 1.02 0.00 -1.11 0.00 0.00 175.55 175.83 3i2e s ALA 162 N -1.27 2.94 -0.08 3.71 0.00 -1.26 -4.87 121.76 120.92 3i2e s ALA 162 Ca -0.04 0.57 0.00 0.00 0.00 0.00 0.00 51.96 52.49 3i2e s ALA 162 Cb -0.10 -3.23 0.02 0.00 0.00 0.00 0.00 23.12 19.82 3i2e s ALA 162 CO 0.02 -0.19 -0.05 0.08 0.00 0.00 0.00 175.76 175.62 3i2e s VAL 163 N -1.99 0.75 0.07 0.00 1.01 -1.26 -0.78 120.40 118.20 3i2e s VAL 163 Ca 0.65 -0.16 0.09 0.00 0.00 0.00 0.00 61.98 62.56 3i2e s VAL 163 Cb -0.15 -0.79 -0.03 0.00 0.00 0.00 0.00 36.38 35.41 3i2e s VAL 163 CO 0.19 0.30 -0.24 -0.44 0.00 0.00 0.00 175.10 174.91 3i2e s SER 164 N 1.46 2.90 0.20 3.32 0.01 -0.61 -5.00 113.70 115.97 3i2e s SER 164 Ca -0.01 -0.62 0.04 0.00 1.31 0.00 0.00 55.95 56.67 3i2e s SER 164 Cb -0.13 -0.22 -0.03 0.00 0.21 0.00 0.00 66.02 65.84 3i2e s SER 164 CO -0.04 0.18 0.29 0.42 0.41 0.00 0.00 173.24 174.50 3i2e s THR 165 N -0.92 5.13 -0.07 1.44 -4.23 -1.26 -0.37 115.64 115.35 3i2e s THR 165 Ca 0.10 -0.91 -0.03 0.00 -1.18 0.00 0.00 61.69 59.67 3i2e s THR 165 Cb -0.10 -3.71 0.04 0.00 1.34 0.00 0.00 72.50 70.08 3i2e s THR 165 CO 0.03 -0.21 0.15 -0.69 -0.54 0.00 0.00 174.62 173.36 3i2e s VAL 166 N -1.87 -0.15 0.25 2.29 1.01 0.05 -4.85 120.40 117.12 3i2e s VAL 166 Ca 0.34 0.27 -0.31 0.00 0.00 0.00 0.00 61.98 62.27 3i2e s VAL 166 Cb -0.10 -0.27 -0.12 0.00 0.00 0.00 0.00 36.38 35.89 3i2e s VAL 166 CO 0.28 0.11 1.62 -2.65 0.00 0.00 0.00 175.10 174.46 3i2e n PRO 167 N 4.75 2.64 -4.77 2.72 -0.02 -1.26 -1.06 135.00 137.99 3i2e n PRO 167 Ca -0.16 0.94 -0.28 0.00 -2.02 0.00 0.00 63.50 61.98 3i2e n PRO 167 Cb 0.51 -2.74 -0.17 0.00 -0.02 0.00 0.00 33.50 31.08 3i2e n PRO 167 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3i2e s VAL 168 N 0.46 1.56 0.76 -1.45 1.01 -0.49 -4.83 120.40 117.43 3i2e s VAL 168 Ca 0.69 -0.71 -0.15 0.00 0.00 0.00 0.00 61.98 61.81 3i2e s VAL 168 Cb -0.52 -1.39 0.04 0.00 0.00 0.00 0.00 36.38 34.51 3i2e s VAL 168 CO 0.42 0.45 1.10 0.00 0.00 0.00 0.00 175.10 177.07 3i2e n ALA 169 N 3.82 -0.07 -1.68 5.51 0.00 -1.26 -4.52 120.51 122.30 3i2e n ALA 169 Ca -0.21 -0.25 -0.44 0.00 0.00 0.00 0.00 53.44 52.54 3i2e n ALA 169 Cb 0.52 -2.19 -0.02 0.00 0.00 0.00 0.00 19.45 17.76 3i2e n ALA 169 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3i2e n ASP 170 N -2.47 2.67 0.00 0.00 9.92 -1.26 -2.14 116.55 123.27 3i2e n ASP 170 Ca 0.13 1.17 0.00 0.00 -0.53 0.00 0.00 54.79 55.57 3i2e n ASP 170 Cb 0.50 -1.45 0.00 0.00 -0.64 0.00 0.00 41.12 39.53 3i2e n ASP 170 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 3i2e n GLY 171 N 1.46 2.71 3.95 0.44 0.00 -1.26 -5.01 105.19 107.48 3i2e n GLY 171 Ca 0.08 -0.01 -0.24 0.00 0.00 0.00 0.00 46.02 45.86 3i2e n GLY 171 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3i2e s LEU 172 N 0.00 3.51 0.21 0.99 1.43 -0.91 -4.90 118.68 119.01 3i2e s LEU 172 Ca 0.00 0.34 0.10 0.00 -1.03 0.00 0.00 54.13 53.54 3i2e s LEU 172 Cb 0.00 -3.21 -0.05 0.00 0.03 0.00 0.00 46.19 42.97 3i2e s LEU 172 CO 0.00 -0.84 -0.19 -1.00 0.23 0.00 0.00 176.35 174.55 3i2e s HIS 173 N -2.68 2.00 0.20 0.29 3.76 -1.26 -4.78 115.29 112.83 3i2e s HIS 173 Ca 0.51 -0.44 -0.11 0.00 -0.15 0.00 0.00 55.06 54.87 3i2e s HIS 173 Cb -0.10 -0.94 0.26 0.00 1.11 0.00 0.00 32.58 32.91 3i2e s HIS 173 CO 0.40 0.48 1.70 1.25 -0.85 0.00 0.00 174.74 177.72 3i2e h LEU 174 N 2.76 -0.03 -0.74 0.89 5.85 -1.81 -0.51 115.31 121.72 3i2e h LEU 174 Ca -0.41 0.11 0.00 0.00 0.84 0.00 0.00 57.88 58.42 3i2e h LEU 174 Cb 1.23 0.16 0.00 0.00 0.37 0.00 0.00 40.66 42.41 3i2e h LEU 174 CO 0.56 -0.00 0.00 0.29 -0.34 0.00 0.00 178.44 178.95 3i2e n LYS 175 N -5.14 1.13 0.14 1.25 5.02 -1.05 -2.96 118.16 116.56 3i2e n LYS 175 Ca 0.08 -0.13 0.13 0.00 -2.02 0.00 0.00 58.31 56.37 3i2e n LYS 175 Cb 0.30 -1.34 0.39 0.00 -0.02 0.00 0.00 35.03 34.36 3i2e n LYS 175 CO 0.00 0.00 0.00 0.77 -0.52 0.00 0.00 177.40 177.65 3i2e h SER 176 N 0.18 0.00 0.00 4.39 0.02 -1.36 -3.33 113.55 113.45 3i2e h SER 176 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 3i2e h SER 176 Cb 0.37 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.91 3i2e h SER 176 CO 0.01 0.00 -0.29 2.22 -1.14 0.00 0.00 176.83 177.64 3i2e n PHE 177 N -2.48 0.00 -3.61 3.45 1.16 -1.15 -3.78 117.46 111.05 3i2e n PHE 177 Ca 0.04 -0.07 -0.07 0.00 -1.87 0.00 0.00 57.45 55.49 3i2e n PHE 177 Cb 0.41 -0.04 -0.02 0.00 -1.61 0.00 0.00 39.48 38.22 3i2e n PHE 177 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 3i2e n SER 179 N -0.35 0.00 -4.73 0.00 3.41 -0.99 -4.33 113.62 106.63 3i2e n SER 179 Ca -0.08 0.00 -0.41 0.00 -0.26 0.00 0.00 58.87 58.12 3i2e n SER 179 Cb 0.61 0.00 -0.04 0.00 -0.26 0.00 0.00 64.21 64.53 3i2e n SER 179 CO 0.00 0.00 0.00 -0.04 -0.16 0.00 0.00 175.04 174.84 3i2e s MET 180 N -2.00 4.61 0.00 4.33 -1.94 -1.26 0.09 119.30 123.13 3i2e s MET 180 Ca 0.00 1.57 0.14 0.00 -1.71 0.00 0.00 55.69 55.69 3i2e s MET 180 Cb 0.00 -3.35 0.05 0.00 2.01 0.00 0.00 34.83 33.54 3i2e s MET 180 CO 0.00 0.08 0.84 0.00 -0.01 0.00 0.00 175.02 175.93 3i2e n ALA 181 N 2.94 2.77 0.00 3.03 0.00 0.80 -3.99 120.51 126.06 3i2e n ALA 181 Ca 0.04 -0.55 0.00 0.00 0.00 0.00 0.00 53.44 52.93 3i2e n ALA 181 Cb 0.48 -0.47 0.00 0.00 0.00 0.00 0.00 19.45 19.46 3i2e n ALA 181 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i2e n GLY 182 N 0.92 -2.40 3.67 0.00 0.00 -1.16 -4.89 105.19 101.33 3i2e n GLY 182 Ca 0.07 -1.24 -0.47 0.00 0.00 0.00 0.00 46.02 44.38 3i2e n GLY 182 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3i2e n PRO 183 N -0.68 2.11 -1.50 1.61 -0.02 -1.26 -1.22 135.00 134.03 3i2e n PRO 183 Ca 0.00 0.76 -0.12 0.00 -2.02 0.00 0.00 63.50 62.12 3i2e n PRO 183 Cb 0.00 -2.54 -0.05 0.00 -0.02 0.00 0.00 33.50 30.90 3i2e n PRO 183 CO 0.00 0.00 0.00 -1.71 1.98 0.00 0.00 175.50 175.77 3i2e n ASN 184 N 3.85 -3.28 -4.08 2.55 4.05 -1.26 -4.91 115.26 112.17 3i2e n ASN 184 Ca 0.18 0.29 -0.32 0.00 0.45 0.00 0.00 54.58 55.17 3i2e n ASN 184 Cb 0.28 -3.06 -0.15 0.00 1.23 0.00 0.00 39.78 38.08 3i2e n ASN 184 CO 0.00 0.00 0.00 -0.22 -3.05 0.00 0.00 177.26 173.99 3i2e s LEU 185 N -3.88 2.90 -0.26 1.20 2.96 -0.36 -0.57 118.68 120.67 3i2e s LEU 185 Ca 0.00 -1.10 -0.10 0.00 -0.22 0.00 0.00 54.13 52.71 3i2e s LEU 185 Cb 0.00 -1.50 -0.05 0.00 0.50 0.00 0.00 46.19 45.15 3i2e s LEU 185 CO 0.00 -0.12 0.16 -0.63 -1.32 0.00 0.00 176.35 174.44 3i2e s ILE 186 N 1.19 5.15 -0.04 6.68 1.01 -0.31 -0.14 121.20 134.74 3i2e s ILE 186 Ca -0.04 0.11 -0.30 0.00 0.00 0.00 0.00 60.65 60.43 3i2e s ILE 186 Cb -0.17 -3.43 -0.02 0.00 0.01 0.00 0.00 42.46 38.84 3i2e s ILE 186 CO -0.08 0.30 0.99 0.00 0.00 0.00 0.00 174.94 176.15 3i2e s ALA 187 N 1.49 3.26 0.03 9.38 0.00 0.11 -0.99 121.76 135.05 3i2e s ALA 187 Ca 0.07 0.48 0.03 0.00 0.00 0.00 0.00 51.96 52.54 3i2e s ALA 187 Cb -0.15 -3.38 -0.02 0.00 0.00 0.00 0.00 23.12 19.57 3i2e s ALA 187 CO 0.08 -0.38 -0.10 -1.50 0.00 0.00 0.00 175.76 173.86 3i2e s ILE 188 N 1.40 0.77 1.11 0.00 1.10 -0.36 -2.34 121.20 122.87 3i2e s ILE 188 Ca 0.51 -0.91 -0.19 0.00 -0.51 0.00 0.00 60.65 59.55 3i2e s ILE 188 Cb -0.20 -0.74 0.27 0.00 0.15 0.00 0.00 42.46 41.94 3i2e s ILE 188 CO 0.24 -0.14 1.19 0.61 -2.11 0.00 0.00 174.94 174.73 3i2e n GLY 189 N 1.89 -2.21 0.19 1.50 0.00 -0.63 -1.20 105.19 104.71 3i2e n GLY 189 Ca -0.19 -1.59 0.05 0.00 0.00 0.00 0.00 46.02 44.29 3i2e n GLY 189 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3i2e n SER 190 N -4.41 1.08 -4.62 1.61 7.64 -1.06 -4.58 113.62 109.27 3i2e n SER 190 Ca 0.16 -1.04 -0.29 0.00 1.01 0.00 0.00 58.87 58.70 3i2e n SER 190 Cb 0.58 0.61 0.19 0.00 -1.01 0.00 0.00 64.21 64.57 3i2e n SER 190 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 3i2e s SER 191 N -1.59 2.37 0.25 6.43 1.04 -1.26 -4.77 113.70 116.18 3i2e s SER 191 Ca 0.08 1.61 -0.05 0.00 0.48 0.00 0.00 55.95 58.07 3i2e s SER 191 Cb 0.09 -2.27 0.30 0.00 0.10 0.00 0.00 66.02 64.24 3i2e s SER 191 CO 0.32 -3.35 1.85 -0.08 0.98 0.00 0.00 173.24 172.96 3i2e h GLU 192 N -2.04 1.10 -0.29 4.02 4.22 -1.99 -1.42 114.58 118.18 3i2e h GLU 192 Ca -0.53 -0.15 -0.02 0.00 0.08 0.00 0.00 59.36 58.73 3i2e h GLU 192 Cb 1.30 -0.20 -0.01 0.00 0.50 0.00 0.00 28.75 30.34 3i2e h GLU 192 CO 0.51 0.85 0.09 0.77 -2.18 0.00 0.00 179.01 179.04 3i2e h SER 193 N 1.09 0.42 -0.33 1.04 0.02 -1.99 -1.82 113.55 111.98 3i2e h SER 193 Ca 0.27 -0.20 0.01 0.00 -0.84 0.00 0.00 61.79 61.03 3i2e h SER 193 Cb 0.11 -0.11 -0.02 0.00 0.14 0.00 0.00 62.40 62.51 3i2e h SER 193 CO -0.03 0.51 0.19 0.00 -1.14 0.00 0.00 176.83 176.36 3i2e h ALA 194 N 0.92 0.41 -0.50 3.77 0.00 -1.81 -2.01 119.26 120.06 3i2e h ALA 194 Ca 0.09 -0.00 0.01 0.00 0.00 0.00 0.00 54.91 55.01 3i2e h ALA 194 Cb 0.24 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.92 3i2e h ALA 194 CO -0.00 -0.17 0.32 1.96 0.00 0.00 0.00 179.25 181.36 3i2e h GLN 195 N 0.39 0.63 -0.55 0.00 4.20 -1.14 -1.68 115.11 116.95 3i2e h GLN 195 Ca 0.13 -0.04 -0.03 0.00 0.06 0.00 0.00 58.65 58.78 3i2e h GLN 195 Cb 0.01 -0.14 -0.02 0.00 0.30 0.00 0.00 27.48 27.62 3i2e h GLN 195 CO -0.07 0.42 0.23 0.87 -0.67 0.00 0.00 178.83 179.62 3i2e h LYS 196 N 0.65 0.81 -0.30 1.46 1.57 -1.14 -1.67 116.57 117.95 3i2e h LYS 196 Ca 0.19 -0.14 -0.01 0.00 -1.87 0.00 0.00 60.65 58.82 3i2e h LYS 196 Cb -0.04 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 32.12 3i2e h LYS 196 CO -0.06 0.69 0.16 0.00 -0.57 0.00 0.00 179.45 179.67 3i2e h ALA 197 N 1.08 0.39 -0.55 3.86 0.00 -1.15 -2.35 119.26 120.54 3i2e h ALA 197 Ca 0.18 -0.08 -0.05 0.00 0.00 0.00 0.00 54.91 54.96 3i2e h ALA 197 Cb 0.17 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.82 3i2e h ALA 197 CO -0.02 -0.06 0.13 1.25 0.00 0.00 0.00 179.25 180.55 3i2e h LEU 198 N 0.37 0.80 -0.62 0.00 5.85 -1.21 -1.95 115.31 118.55 3i2e h LEU 198 Ca 0.11 -0.15 0.02 0.00 0.84 0.00 0.00 57.88 58.70 3i2e h LEU 198 Cb 0.09 -0.21 -0.04 0.00 0.37 0.00 0.00 40.66 40.88 3i2e h LEU 198 CO -0.02 0.79 0.40 0.50 -0.34 0.00 0.00 178.44 179.77 3i2e h LYS 199 N 0.82 0.78 -0.45 1.25 3.64 -1.03 -0.41 116.57 121.18 3i2e h LYS 199 Ca 0.18 -0.05 -0.05 0.00 -1.27 0.00 0.00 60.65 59.46 3i2e h LYS 199 Cb 0.31 -0.18 -0.02 0.00 -0.41 0.00 0.00 32.23 31.94 3i2e h LYS 199 CO -0.00 0.51 0.08 0.82 -2.27 0.00 0.00 179.45 178.59 3i2e h ILE 200 N 0.80 1.24 -0.59 2.00 2.04 -1.06 -0.98 117.51 120.96 3i2e h ILE 200 Ca 0.24 -0.88 -0.02 0.00 1.00 0.00 0.00 64.86 65.20 3i2e h ILE 200 Cb -0.04 0.95 -0.03 0.00 -0.74 0.00 0.00 36.82 36.97 3i2e h ILE 200 CO -0.08 0.31 0.30 0.24 0.00 0.00 0.00 178.15 178.92 3i2e h MET 201 N 0.60 0.83 -0.48 2.37 2.86 -0.99 -0.45 114.93 119.68 3i2e h MET 201 Ca 0.14 -0.11 -0.09 0.00 -2.06 0.00 0.00 59.70 57.58 3i2e h MET 201 Cb 0.37 -0.16 -0.02 0.00 0.06 0.00 0.00 31.60 31.86 3i2e h MET 201 CO 0.01 0.66 -0.05 1.96 1.06 0.00 0.00 176.91 180.55 3i2e h GLN 202 N 0.80 0.82 -0.44 1.72 1.08 -0.97 -2.14 115.11 115.97 3i2e h GLN 202 Ca 0.20 -0.25 -0.14 0.00 -1.45 0.00 0.00 58.65 57.02 3i2e h GLN 202 Cb 0.09 -0.08 -0.01 0.00 -0.05 0.00 0.00 27.48 27.43 3i2e h GLN 202 CO -0.03 0.86 -0.26 0.37 -0.95 0.00 0.00 178.83 178.82 3i2e h GLN 203 N 0.76 0.95 0.00 1.46 -0.00 -0.73 -3.25 115.11 114.29 3i2e h GLN 203 Ca 0.14 -0.42 -0.06 0.00 -0.00 0.00 0.00 58.65 58.31 3i2e h GLN 203 Cb 0.53 -0.02 -0.01 0.00 0.00 0.00 0.00 27.48 27.98 3i2e h GLN 203 CO 0.03 1.09 -0.37 0.52 0.00 0.00 0.00 178.83 180.09 3i2e h MET 204 N 0.81 0.00 -7.23 1.69 0.00 -0.99 -3.47 114.93 105.74 3i2e h MET 204 Ca 0.10 0.00 -0.48 0.00 0.00 0.00 0.00 59.70 59.31 3i2e h MET 204 Cb 0.83 0.00 0.04 0.00 0.00 0.00 0.00 31.60 32.47 3i2e h MET 204 CO 0.07 0.26 0.38 0.45 0.00 0.00 0.00 176.91 178.07 3i2e s SER 205 N -6.26 6.31 0.40 1.22 0.15 -0.82 -4.96 113.70 109.74 3i2e s SER 205 Ca 0.05 1.60 0.25 0.00 0.70 0.00 0.00 55.95 58.54 3i2e s SER 205 Cb 0.07 -2.51 0.53 0.00 -1.71 0.00 0.00 66.02 62.40 3i2e s SER 205 CO 0.72 -0.81 1.68 0.44 1.20 0.00 0.00 173.24 176.47 3i2e h ASP 206 N 0.52 0.00 -4.38 5.45 3.32 -1.90 -3.45 116.42 115.98 3i2e h ASP 206 Ca -0.46 0.00 -0.37 0.00 0.02 0.00 0.00 57.03 56.22 3i2e h ASP 206 Cb 1.19 0.00 -0.24 0.00 0.22 0.00 0.00 39.33 40.50 3i2e h ASP 206 CO 0.60 0.00 -0.77 -1.00 -1.72 0.00 0.00 179.24 176.36 3i2e s HIS 207 N -3.23 0.91 0.13 4.55 0.09 -1.26 -5.13 115.29 111.35 3i2e s HIS 207 Ca 0.07 -0.35 -0.30 0.00 -0.00 0.00 0.00 55.06 54.49 3i2e s HIS 207 Cb 0.07 -0.54 -0.06 0.00 -0.00 0.00 0.00 32.58 32.04 3i2e s HIS 207 CO 0.64 -0.01 1.00 0.50 -0.00 0.00 0.00 174.74 176.87 3i2e s ARG 208 N -1.08 4.67 0.18 1.40 6.06 -1.26 -4.96 118.95 123.95 3i2e s ARG 208 Ca -0.02 1.53 -0.03 0.00 -2.50 0.00 0.00 55.73 54.71 3i2e s ARG 208 Cb -0.07 -3.35 -0.05 0.00 0.06 0.00 0.00 34.95 31.54 3i2e s ARG 208 CO 0.01 0.18 0.40 0.71 -2.50 0.00 0.00 175.30 174.09 3i2e s TYR 209 N -0.07 3.48 0.48 5.12 1.51 -1.26 -5.09 117.35 121.52 3i2e s TYR 209 Ca 0.48 0.49 -0.10 0.00 -1.01 0.00 0.00 57.07 56.93 3i2e s TYR 209 Cb -0.25 -1.96 -0.05 0.00 -0.11 0.00 0.00 41.96 39.58 3i2e s TYR 209 CO 0.31 0.38 0.85 -0.51 -1.11 0.00 0.00 175.55 175.48 3i2e s ASP 210 N -2.77 6.41 0.06 2.29 -0.00 0.27 -4.94 116.67 117.97 3i2e s ASP 210 Ca 0.40 1.18 0.02 0.00 -0.00 0.00 0.00 52.55 54.15 3i2e s ASP 210 Cb -0.12 -2.35 -0.03 0.00 -0.00 0.00 0.00 42.92 40.42 3i2e s ASP 210 CO 0.27 -0.56 -0.07 -1.59 -0.00 0.00 0.00 175.17 173.22 3i2e s LYS 211 N -4.38 0.61 -0.31 8.23 -2.85 -1.26 -1.16 119.74 118.61 3i2e s LYS 211 Ca 0.52 -0.96 0.03 0.00 -1.00 0.00 0.00 55.97 54.56 3i2e s LYS 211 Cb -0.10 -0.20 0.09 0.00 -2.06 0.00 0.00 37.83 35.56 3i2e s LYS 211 CO 0.39 0.01 0.02 -1.17 0.10 0.00 0.00 175.35 174.71 3i2e s LEU 212 N -2.12 3.87 -0.23 2.77 2.96 -0.16 -4.90 118.68 120.88 3i2e s LEU 212 Ca -0.03 -1.84 -0.24 0.00 -0.22 0.00 0.00 54.13 51.81 3i2e s LEU 212 Cb -0.04 -1.43 -0.01 0.00 0.50 0.00 0.00 46.19 45.21 3i2e s LEU 212 CO -0.02 -0.34 0.79 -0.89 -1.32 0.00 0.00 176.35 174.57 3i2e s THR 213 N 1.11 4.87 0.00 3.68 2.01 -1.26 -1.22 115.64 124.84 3i2e s THR 213 Ca 0.06 1.49 0.03 0.00 0.31 0.00 0.00 61.69 63.58 3i2e s THR 213 Cb -0.19 -4.08 -0.03 0.00 0.01 0.00 0.00 72.50 68.20 3i2e s THR 213 CO -0.10 -0.03 -0.06 0.68 -0.69 0.00 0.00 174.62 174.41 3i2e s VAL 214 N 2.64 3.68 0.19 3.82 -7.23 -0.34 -4.97 120.40 118.19 3i2e s VAL 214 Ca 0.34 -0.77 0.36 0.00 -1.81 0.00 0.00 61.98 60.09 3i2e s VAL 214 Cb -0.15 -2.60 0.40 0.00 0.56 0.00 0.00 36.38 34.58 3i2e s VAL 214 CO 0.08 0.39 2.05 1.55 -0.31 0.00 0.00 175.10 178.86 3i2e h PRO 215 N 4.50 0.00 -4.76 4.82 0.13 -1.87 -2.82 132.00 132.01 3i2e h PRO 215 Ca -0.48 0.00 -0.69 0.00 -0.87 0.00 0.00 66.00 63.96 3i2e h PRO 215 Cb 1.17 0.00 -0.29 0.00 0.13 0.00 0.00 31.00 32.01 3i2e h PRO 215 CO 0.54 0.00 -0.65 -0.51 -0.23 0.00 0.00 178.00 177.15 3i2e s ASP 216 N -5.60 5.06 0.21 1.44 1.11 -1.26 -4.42 116.67 113.21 3i2e s ASP 216 Ca 0.00 -1.02 -0.16 0.00 0.18 0.00 0.00 52.55 51.55 3i2e s ASP 216 Cb 0.10 -1.82 0.23 0.00 1.07 0.00 0.00 42.92 42.50 3i2e s ASP 216 CO 0.52 -0.25 1.60 0.44 1.18 0.00 0.00 175.17 178.65 3i2e h ASP 217 N 8.15 -0.91 -0.97 0.27 5.19 -1.90 -0.49 116.42 125.77 3i2e h ASP 217 Ca -0.26 0.23 0.16 0.00 -0.62 0.00 0.00 57.03 56.54 3i2e h ASP 217 Cb 1.09 0.52 -0.10 0.00 0.18 0.00 0.00 39.33 41.02 3i2e h ASP 217 CO 0.59 -0.27 0.57 0.40 -3.12 0.00 0.00 179.24 177.41 3i2e h ILE 218 N -0.06 0.76 0.00 0.35 1.08 -1.93 0.18 117.51 117.89 3i2e h ILE 218 Ca 0.31 -0.27 0.00 0.00 -0.39 0.00 0.00 64.86 64.51 3i2e h ILE 218 Cb 0.55 -0.09 0.00 0.00 -3.07 0.00 0.00 36.82 34.21 3i2e h ILE 218 CO -0.74 0.14 0.00 0.00 -0.69 0.00 0.00 178.15 176.86 3i2e n ALA 219 N -2.36 1.92 0.75 1.87 0.00 -0.20 -2.15 120.51 120.34 3i2e n ALA 219 Ca 0.21 -0.08 0.12 0.00 0.00 0.00 0.00 53.44 53.69 3i2e n ALA 219 Cb 0.48 -1.28 0.49 0.00 0.00 0.00 0.00 19.45 19.14 3i2e n ALA 219 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3i2e n ALA 220 N -1.32 2.10 -2.54 0.00 0.00 0.05 -4.55 120.51 114.25 3i2e n ALA 220 Ca 0.08 -0.06 -0.43 0.00 0.00 0.00 0.00 53.44 53.03 3i2e n ALA 220 Cb 0.15 -1.40 -0.06 0.00 0.00 0.00 0.00 19.45 18.13 3i2e n ALA 220 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 3i2e s ASN 221 N -3.39 6.34 0.31 0.00 3.84 -0.92 -3.23 114.94 117.89 3i2e s ASN 221 Ca 0.11 -0.31 0.05 0.00 0.21 0.00 0.00 52.86 52.91 3i2e s ASN 221 Cb 0.15 -2.34 -0.03 0.00 -0.55 0.00 0.00 41.25 38.48 3i2e s ASN 221 CO 0.46 -0.83 0.21 0.00 -2.79 0.00 0.00 177.10 174.15 3i2e s ILE 223 N -3.59 2.23 -0.16 0.00 1.01 -0.77 -4.60 121.20 115.32 3i2e s ILE 223 Ca 0.38 -0.89 -0.07 0.00 0.00 0.00 0.00 60.65 60.07 3i2e s ILE 223 Cb 0.04 -1.95 -0.04 0.00 0.01 0.00 0.00 42.46 40.52 3i2e s ILE 223 CO 0.21 0.52 0.07 -0.47 0.00 0.00 0.00 174.94 175.28 3i2e s TYR 224 N 1.31 3.31 0.02 3.97 5.04 -1.26 -1.15 117.35 128.60 3i2e s TYR 224 Ca 0.05 0.20 0.01 0.00 -2.44 0.00 0.00 57.07 54.89 3i2e s TYR 224 Cb -0.13 -2.01 -0.01 0.00 0.35 0.00 0.00 41.96 40.15 3i2e s TYR 224 CO -0.12 0.32 -0.05 -0.51 -1.34 0.00 0.00 175.55 173.85 3i2e s LEU 225 N -0.08 2.15 -0.39 6.97 1.43 0.36 -4.80 118.68 124.32 3i2e s LEU 225 Ca 0.07 -0.34 -0.05 0.00 -1.03 0.00 0.00 54.13 52.79 3i2e s LEU 225 Cb -0.12 -0.14 0.09 0.00 0.03 0.00 0.00 46.19 46.04 3i2e s LEU 225 CO 0.01 -0.11 0.18 0.21 0.23 0.00 0.00 176.35 176.87 3i2e s ASN 226 N -0.92 5.31 -0.13 2.29 3.84 -0.45 -0.31 114.94 124.57 3i2e s ASN 226 Ca -0.06 -1.69 -0.07 0.00 0.21 0.00 0.00 52.86 51.25 3i2e s ASN 226 Cb -0.06 -1.86 -0.04 0.00 -0.55 0.00 0.00 41.25 38.74 3i2e s ASN 226 CO -0.00 -0.48 0.11 -0.63 -2.79 0.00 0.00 177.10 173.31 3i2e s ILE 227 N 1.26 5.27 0.18 -5.21 -1.09 -0.49 -4.16 121.20 116.95 3i2e s ILE 227 Ca 0.04 0.12 -0.33 0.00 -2.23 0.00 0.00 60.65 58.25 3i2e s ILE 227 Cb -0.22 -3.31 -0.14 0.00 -1.58 0.00 0.00 42.46 37.21 3i2e s ILE 227 CO -0.01 0.58 1.50 -2.65 -1.23 0.00 0.00 174.94 173.12 3i2e n PRO 228 N 2.36 2.02 -1.16 2.79 -0.02 -1.26 -0.21 135.00 139.51 3i2e n PRO 228 Ca -0.19 0.72 -0.06 0.00 -2.02 0.00 0.00 63.50 61.96 3i2e n PRO 228 Cb 0.54 -2.44 -0.02 0.00 -0.02 0.00 0.00 33.50 31.55 3i2e n PRO 228 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 3i2e n ASN 229 N 2.94 -4.92 0.00 2.55 3.02 -1.26 -4.70 115.26 112.89 3i2e n ASN 229 Ca 0.15 0.14 0.00 0.00 -0.03 0.00 0.00 54.58 54.84 3i2e n ASN 229 Cb 0.29 -2.91 0.00 0.00 -0.61 0.00 0.00 39.78 36.54 3i2e n ASN 229 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 3i2e n LYS 230 N -1.18 0.01 0.00 3.52 5.02 -0.34 -5.13 118.16 120.06 3i2e n LYS 230 Ca -0.06 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.23 3i2e n LYS 230 Cb 0.39 -0.71 0.00 0.00 -0.02 0.00 0.00 35.03 34.69 3i2e n LYS 230 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3i2e n GLY 231 N 2.34 0.50 3.69 0.72 0.00 0.71 -4.86 105.19 108.29 3i2e n GLY 231 Ca 0.00 -0.94 -0.42 0.00 0.00 0.00 0.00 46.02 44.66 3i2e n GLY 231 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3i2e s HIS 232 N 0.00 2.66 -0.03 1.61 3.76 -1.26 -1.40 115.29 120.63 3i2e s HIS 232 Ca 0.00 0.60 0.02 0.00 -0.15 0.00 0.00 55.06 55.53 3i2e s HIS 232 Cb 0.00 -3.79 0.01 0.00 1.11 0.00 0.00 32.58 29.90 3i2e s HIS 232 CO 0.00 -3.06 -0.08 0.08 -0.85 0.00 0.00 174.74 170.83 3i2e s VAL 233 N 2.53 0.73 -0.05 -0.90 1.01 0.58 -0.10 120.40 124.20 3i2e s VAL 233 Ca 0.68 -0.32 -0.02 0.00 0.00 0.00 0.00 61.98 62.32 3i2e s VAL 233 Cb -0.35 -0.66 0.04 0.00 0.00 0.00 0.00 36.38 35.41 3i2e s VAL 233 CO 0.29 0.24 0.09 -0.22 0.00 0.00 0.00 175.10 175.49 3i2e s LEU 234 N 0.28 0.28 -0.22 3.92 2.96 -0.41 -0.48 118.68 125.01 3i2e s LEU 234 Ca -0.04 0.16 -0.17 0.00 -0.22 0.00 0.00 54.13 53.86 3i2e s LEU 234 Cb -0.09 0.03 -0.03 0.00 0.50 0.00 0.00 46.19 46.59 3i2e s LEU 234 CO 0.00 -0.22 0.46 -0.76 -1.32 0.00 0.00 176.35 174.51 3i2e s LEU 235 N 1.94 4.13 0.10 -0.68 1.02 -0.30 -0.85 118.68 124.03 3i2e s LEU 235 Ca 0.01 0.56 0.02 0.00 0.02 0.00 0.00 54.13 54.74 3i2e s LEU 235 Cb -0.12 -2.60 -0.04 0.00 0.02 0.00 0.00 46.19 43.44 3i2e s LEU 235 CO -0.04 -0.16 -0.06 -1.38 0.02 0.00 0.00 176.35 174.73 3i2e s HIS 236 N 1.65 0.87 0.63 0.29 -3.43 -0.83 -1.86 115.29 112.63 3i2e s HIS 236 Ca 0.21 -0.91 -0.19 0.00 -0.80 0.00 0.00 55.06 53.37 3i2e s HIS 236 Cb -0.15 -0.51 -0.02 0.00 -1.43 0.00 0.00 32.58 30.47 3i2e s HIS 236 CO 0.09 -0.16 1.30 0.54 -2.00 0.00 0.00 174.74 174.51 3i2e n ARG 237 N -0.00 1.19 -1.57 -0.38 5.12 -1.26 -0.27 116.66 119.49 3i2e n ARG 237 Ca -0.12 0.46 -0.30 0.00 -1.93 0.00 0.00 57.85 55.95 3i2e n ARG 237 Cb 0.61 -2.54 0.07 0.00 -1.16 0.00 0.00 32.46 29.44 3i2e n ARG 237 CO 0.00 0.00 0.00 0.95 -1.93 0.00 0.00 177.63 176.65 3i2e s THR 238 N -1.37 3.45 0.47 0.55 -4.23 -1.26 -4.69 115.64 108.56 3i2e s THR 238 Ca 0.81 0.47 0.15 0.00 -1.18 0.00 0.00 61.69 61.95 3i2e s THR 238 Cb -0.39 -3.23 0.21 0.00 1.34 0.00 0.00 72.50 70.44 3i2e s THR 238 CO 0.41 -0.62 2.04 -0.65 -0.54 0.00 0.00 174.62 175.26 3i2e h PRO 239 N -0.93 0.00 -0.41 3.99 0.11 -1.92 -0.11 132.00 132.73 3i2e h PRO 239 Ca -0.46 0.00 -0.13 0.00 0.11 0.00 0.00 66.00 65.53 3i2e h PRO 239 Cb 1.25 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.34 3i2e h PRO 239 CO 0.58 0.13 -0.25 1.49 -0.21 0.00 0.00 178.00 179.75 3i2e h GLU 240 N 0.00 0.85 0.05 1.05 4.81 -1.96 -1.23 114.58 118.15 3i2e h GLU 240 Ca -0.00 -0.37 -0.00 0.00 -0.13 0.00 0.00 59.36 58.86 3i2e h GLU 240 Cb 0.23 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 29.59 3i2e h GLU 240 CO 0.02 1.01 -0.02 0.93 -0.73 0.00 0.00 179.01 180.21 3i2e h GLU 241 N 0.73 -0.06 -2.34 1.92 5.08 -1.72 -3.43 114.58 114.77 3i2e h GLU 241 Ca 0.09 0.00 -0.56 0.00 -1.00 0.00 0.00 59.36 57.89 3i2e h GLU 241 Cb 0.79 0.01 -0.37 0.00 0.50 0.00 0.00 28.75 29.69 3i2e h GLU 241 CO 0.07 0.53 -0.92 0.71 -1.00 0.00 0.00 179.01 178.40 3i2e s TYR 242 N -2.58 0.85 0.27 4.33 1.51 -0.13 -5.02 117.35 116.58 3i2e s TYR 242 Ca -0.13 -2.06 -0.01 0.00 -1.01 0.00 0.00 57.07 53.86 3i2e s TYR 242 Cb -0.01 -0.84 0.46 0.00 -0.11 0.00 0.00 41.96 41.46 3i2e s TYR 242 CO 0.49 -0.85 1.87 -1.00 -1.11 0.00 0.00 175.55 174.94 3i2e h PRO 243 N 5.95 1.08 0.00 -1.71 0.13 -1.38 -1.32 132.00 134.74 3i2e h PRO 243 Ca 0.21 -0.06 -0.10 0.00 -0.87 0.00 0.00 66.00 65.17 3i2e h PRO 243 Cb 0.94 -0.24 -0.01 0.00 0.13 0.00 0.00 31.00 31.81 3i2e h PRO 243 CO 0.33 0.71 -0.49 0.93 -0.23 0.00 0.00 178.00 179.25 3i2e h GLU 244 N 1.11 0.00 0.16 0.86 4.39 -1.94 -2.44 114.58 116.72 3i2e h GLU 244 Ca 0.46 0.00 -0.29 0.00 0.34 0.00 0.00 59.36 59.87 3i2e h GLU 244 Cb 0.29 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 28.95 3i2e h GLU 244 CO -0.21 0.49 -1.31 0.77 -1.16 0.00 0.00 179.01 177.59 3i2e h SER 245 N 0.00 0.53 -0.77 1.42 0.02 -1.84 -3.25 113.55 109.66 3i2e h SER 245 Ca -0.00 -0.57 -0.01 0.00 -0.84 0.00 0.00 61.79 60.36 3i2e h SER 245 Cb 0.97 -0.17 -0.04 0.00 0.14 0.00 0.00 62.40 63.30 3i2e h SER 245 CO 0.06 1.45 0.45 0.00 -1.14 0.00 0.00 176.83 177.65 3i2e h ALA 246 N 0.47 1.32 -0.60 3.77 0.00 -1.15 -1.45 119.26 121.62 3i2e h ALA 246 Ca -0.17 -0.10 0.04 0.00 0.00 0.00 0.00 54.91 54.68 3i2e h ALA 246 Cb 2.03 -0.32 -0.03 0.00 0.00 0.00 0.00 17.79 19.47 3i2e h ALA 246 CO 0.22 0.57 0.40 0.87 0.00 0.00 0.00 179.25 181.31 3i2e h LYS 247 N 1.08 0.65 -0.04 0.00 1.57 -1.47 -0.90 116.57 117.46 3i2e h LYS 247 Ca 0.28 -0.04 -0.01 0.00 -1.87 0.00 0.00 60.65 59.01 3i2e h LYS 247 Cb -0.01 -0.15 -0.00 0.00 0.08 0.00 0.00 32.23 32.16 3i2e h LYS 247 CO -0.05 0.43 -0.02 0.28 -0.57 0.00 0.00 179.45 179.52 3i2e h VAL 248 N 0.67 1.34 0.00 0.50 2.07 -1.31 -2.88 116.25 116.64 3i2e h VAL 248 Ca 0.24 -1.06 -0.00 0.00 0.82 0.00 0.00 66.70 66.70 3i2e h VAL 248 Cb 0.13 1.99 -0.00 0.00 -1.52 0.00 0.00 31.29 31.89 3i2e h VAL 248 CO -0.07 0.29 -0.02 1.88 0.02 0.00 0.00 177.57 179.67 3i2e h TYR 249 N -0.34 0.00 0.00 1.57 -1.99 -1.02 -1.37 116.97 113.82 3i2e h TYR 249 Ca 0.01 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.74 3i2e h TYR 249 Cb 0.47 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.20 3i2e h TYR 249 CO 0.08 0.02 0.00 1.49 -0.00 0.00 0.00 178.16 179.74 3i2e h GLU 250 N 0.00 0.00 0.00 4.88 4.57 -0.95 -2.12 114.58 120.96 3i2e h GLU 250 Ca -0.00 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 3i2e h GLU 250 Cb 0.04 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.63 3i2e h GLU 250 CO 0.00 0.00 0.00 1.63 -1.18 0.00 0.00 179.01 179.46 3i2e n LYS 251 N -2.94 0.27 -2.59 1.92 5.02 -0.52 -4.48 118.16 114.84 3i2e n LYS 251 Ca -0.01 0.01 -0.43 0.00 -2.02 0.00 0.00 58.31 55.86 3i2e n LYS 251 Cb 0.16 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.67 3i2e n LYS 251 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 3i2e n LEU 252 N -1.36 5.01 -0.06 -0.35 4.77 -0.80 -4.81 117.00 119.40 3i2e n LEU 252 Ca 0.11 -3.97 0.16 0.00 -0.03 0.00 0.00 56.01 52.28 3i2e n LEU 252 Cb 0.26 -1.74 0.58 0.00 -2.33 0.00 0.00 43.42 40.20 3i2e n LEU 252 CO 0.24 0.22 1.19 0.11 -1.33 0.00 0.00 177.39 177.81 3i2e h LYS 253 N 7.50 0.24 -0.62 3.23 6.56 -1.88 -2.27 116.57 129.32 3i2e h LYS 253 Ca 0.44 -0.01 0.00 0.00 -1.06 0.00 0.00 60.65 60.02 3i2e h LYS 253 Cb 0.86 -0.05 0.00 0.00 -0.57 0.00 0.00 32.23 32.47 3i2e h LYS 253 CO 1.45 0.16 0.00 -0.25 -2.06 0.00 0.00 179.45 178.75 3i2e n ASP 254 N -4.44 3.63 -4.63 0.86 10.43 -1.26 -4.92 116.55 116.22 3i2e n ASP 254 Ca 0.11 -2.17 -0.32 0.00 2.57 0.00 0.00 54.79 54.98 3i2e n ASP 254 Cb 0.49 -0.46 -0.10 0.00 1.84 0.00 0.00 41.12 42.89 3i2e n ASP 254 CO 0.00 0.00 0.00 -1.00 -1.07 0.00 0.00 177.20 175.13 3i2e s HIS 255 N -1.45 2.94 -0.64 1.24 3.76 -0.86 -4.30 115.29 115.98 3i2e s HIS 255 Ca 0.42 -0.01 -0.22 0.00 -0.15 0.00 0.00 55.06 55.10 3i2e s HIS 255 Cb 0.24 -1.60 0.08 0.00 1.11 0.00 0.00 32.58 32.41 3i2e s HIS 255 CO 0.25 0.41 0.89 1.41 -0.85 0.00 0.00 174.74 176.85 3i2e s MET 256 N -1.63 3.09 -0.05 1.40 1.75 0.86 -4.94 119.30 119.79 3i2e s MET 256 Ca 0.19 -0.96 -0.27 0.00 -1.25 0.00 0.00 55.69 53.40 3i2e s MET 256 Cb -0.11 -4.24 -0.03 0.00 2.84 0.00 0.00 34.83 33.29 3i2e s MET 256 CO 0.10 -1.74 0.88 -0.51 -0.65 0.00 0.00 175.02 173.10 3i2e s LEU 257 N 3.69 4.32 -0.25 4.11 1.43 -1.26 -1.29 118.68 129.42 3i2e s LEU 257 Ca 0.19 1.45 0.01 0.00 -1.03 0.00 0.00 54.13 54.75 3i2e s LEU 257 Cb -0.19 -3.38 0.07 0.00 0.03 0.00 0.00 46.19 42.72 3i2e s LEU 257 CO 0.09 -0.25 -0.02 -0.63 0.23 0.00 0.00 176.35 175.77 3i2e s ILE 258 N 1.19 1.45 0.15 -0.59 1.01 -0.03 -4.97 121.20 119.41 3i2e s ILE 258 Ca 0.46 -1.28 -0.31 0.00 0.00 0.00 0.00 60.65 59.51 3i2e s ILE 258 Cb -0.19 -1.80 -0.09 0.00 0.01 0.00 0.00 42.46 40.39 3i2e s ILE 258 CO 0.22 -0.21 1.47 -2.84 0.00 0.00 0.00 174.94 173.59 3i2e s PRO 259 N 1.41 4.27 -0.08 2.79 0.02 -1.26 -1.96 135.00 140.19 3i2e s PRO 259 Ca -0.03 2.22 -0.02 0.00 0.02 0.00 0.00 61.00 63.20 3i2e s PRO 259 Cb -0.19 -3.20 0.03 0.00 0.02 0.00 0.00 34.50 31.17 3i2e s PRO 259 CO -0.08 -0.51 0.03 0.08 -0.33 0.00 0.00 177.00 176.18 3i2e s VAL 260 N 1.05 0.19 0.30 3.83 1.01 0.62 -4.89 120.40 122.52 3i2e s VAL 260 Ca 0.67 0.16 -0.22 0.00 0.00 0.00 0.00 61.98 62.59 3i2e s VAL 260 Cb -0.40 -0.44 -0.09 0.00 0.00 0.00 0.00 36.38 35.44 3i2e s VAL 260 CO 0.31 0.17 0.84 -0.55 0.00 0.00 0.00 175.10 175.87 3i2e s SER 261 N 2.04 7.12 0.00 3.32 0.15 -1.26 -4.10 113.70 120.97 3i2e s SER 261 Ca 0.04 1.60 0.15 0.00 0.70 0.00 0.00 55.95 58.45 3i2e s SER 261 Cb -0.13 -2.49 0.25 0.00 -1.71 0.00 0.00 66.02 61.95 3i2e s SER 261 CO -0.05 -0.09 1.08 0.23 1.20 0.00 0.00 173.24 175.61 3i2e n MET 262 N 0.35 0.00 -0.24 5.44 2.81 -1.26 -4.85 117.12 119.37 3i2e n MET 262 Ca 0.01 -1.55 0.19 0.00 -1.81 0.00 0.00 57.70 54.54 3i2e n MET 262 Cb 0.51 -0.09 0.51 0.00 -0.71 0.00 0.00 33.22 33.44 3i2e n MET 262 CO 0.00 0.00 0.00 0.66 1.51 0.00 0.00 175.97 178.14 3i2e h SER 263 N 0.59 0.40 0.00 7.83 4.64 -1.93 -0.48 113.55 124.61 3i2e h SER 263 Ca -0.19 0.04 -0.01 0.00 -0.47 0.00 0.00 61.79 61.16 3i2e h SER 263 Cb 1.68 -0.03 -0.00 0.00 -0.31 0.00 0.00 62.40 63.74 3i2e h SER 263 CO 0.03 0.16 -0.10 -0.33 -0.87 0.00 0.00 176.83 175.73 3i2e h GLU 264 N 0.40 0.00 0.00 4.77 4.39 -1.92 -3.35 114.58 118.87 3i2e h GLU 264 Ca 0.47 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 60.17 3i2e h GLU 264 Cb 1.16 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.81 3i2e h GLU 264 CO -0.18 0.48 -0.00 -0.07 -1.16 0.00 0.00 179.01 178.08 3i2e h LEU 265 N -1.00 0.00 -1.91 1.33 3.38 -1.80 -0.69 115.31 114.62 3i2e h LEU 265 Ca -0.02 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.94 3i2e h LEU 265 Cb 0.53 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.28 3i2e h LEU 265 CO -0.01 0.00 -0.07 -0.08 0.09 0.00 0.00 178.44 178.37 3i2e h GLU 266 N 0.00 0.00 0.00 1.13 4.81 -1.02 0.19 114.58 119.69 3i2e h GLU 266 Ca -0.00 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.23 3i2e h GLU 266 Cb 0.02 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.40 3i2e h GLU 266 CO 0.00 0.07 -0.01 0.87 -0.73 0.00 0.00 179.01 179.21 3i2e h LYS 267 N 0.00 0.00 -0.32 1.92 1.57 -1.27 -0.38 116.57 118.08 3i2e h LYS 267 Ca -0.00 0.00 -0.21 0.00 -1.87 0.00 0.00 60.65 58.57 3i2e h LYS 267 Cb 0.13 0.00 -0.14 0.00 0.08 0.00 0.00 32.23 32.30 3i2e h LYS 267 CO 0.01 0.01 -0.37 1.33 -0.57 0.00 0.00 179.45 179.86 3i2e n VAL 268 N -3.30 2.46 -1.81 0.50 0.24 -0.40 -4.84 118.33 111.17 3i2e n VAL 268 Ca -0.03 -3.27 -0.16 0.00 -2.04 0.00 0.00 64.34 58.84 3i2e n VAL 268 Cb 0.10 -0.49 -0.05 0.00 -1.47 0.00 0.00 33.84 31.93 3i2e n VAL 268 CO 0.00 0.00 0.00 0.47 -2.14 0.00 0.00 176.83 175.16 3i2e n ASP 269 N -1.03 -4.95 -4.46 -1.34 8.00 -0.15 -4.76 116.55 107.86 3i2e n ASP 269 Ca 0.31 0.24 -0.44 0.00 0.71 0.00 0.00 54.79 55.61 3i2e n ASP 269 Cb 0.87 -3.97 -0.06 0.00 -0.02 0.00 0.00 41.12 37.94 3i2e n ASP 269 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 3i2e s GLY 270 N -2.60 1.74 0.26 0.44 0.00 0.52 -4.94 107.32 102.74 3i2e s GLY 270 Ca 0.00 -1.66 0.03 0.00 0.00 0.00 0.00 44.72 43.10 3i2e s GLY 270 CO 0.00 1.52 0.36 1.04 0.00 0.00 0.00 173.10 176.01 3i2e n LEU 271 N 6.26 0.00 -0.13 0.66 4.77 -1.26 -3.11 117.00 124.20 3i2e n LEU 271 Ca -0.06 -1.05 -0.09 0.00 -0.03 0.00 0.00 56.01 54.79 3i2e n LEU 271 Cb 0.46 -0.20 -0.01 0.00 -2.33 0.00 0.00 43.42 41.34 3i2e n LEU 271 CO 0.55 -0.61 0.94 -0.07 -1.33 0.00 0.00 177.39 176.86 3i2e h LEU 272 N 0.00 0.50 -0.91 2.23 3.38 -1.94 -3.12 115.31 115.46 3i2e h LEU 272 Ca -0.12 -0.14 -0.11 0.00 0.09 0.00 0.00 57.88 57.59 3i2e h LEU 272 Cb 0.54 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 41.14 3i2e h LEU 272 CO 0.16 0.50 -0.53 0.71 0.09 0.00 0.00 178.44 179.38 3i2e h THR 273 N 0.47 1.38 -0.06 0.22 1.35 -1.87 -3.20 112.91 111.20 3i2e h THR 273 Ca 0.13 -1.82 0.02 0.00 -0.55 0.00 0.00 66.41 64.19 3i2e h THR 273 Cb 0.14 1.96 -0.00 0.00 -1.73 0.00 0.00 68.15 68.52 3i2e h THR 273 CO -0.01 0.52 0.06 0.00 -0.25 0.00 0.00 175.52 175.84 3i2e s SER 276 N -1.20 -0.44 -0.17 0.00 1.04 -1.13 -4.55 113.70 107.26 3i2e s SER 276 Ca 0.27 0.03 0.01 0.00 0.48 0.00 0.00 55.95 56.74 3i2e s SER 276 Cb 0.14 0.52 0.02 0.00 0.10 0.00 0.00 66.02 66.80 3i2e s SER 276 CO 0.20 -0.82 -0.17 -0.69 0.98 0.00 0.00 173.24 172.74 3i2e s VAL 277 N -3.07 1.86 -0.06 5.02 1.01 -0.50 -4.21 120.40 120.45 3i2e s VAL 277 Ca -0.02 -0.86 -0.12 0.00 0.00 0.00 0.00 61.98 60.98 3i2e s VAL 277 Cb -0.00 -1.73 -0.05 0.00 0.00 0.00 0.00 36.38 34.60 3i2e s VAL 277 CO -0.07 0.47 0.31 -0.76 0.00 0.00 0.00 175.10 175.05 3i2e s LEU 278 N 1.36 4.41 -0.00 3.92 1.43 -1.26 -0.57 118.68 127.97 3i2e s LEU 278 Ca 0.04 0.74 0.02 0.00 -1.03 0.00 0.00 54.13 53.90 3i2e s LEU 278 Cb -0.13 -2.39 -0.01 0.00 0.03 0.00 0.00 46.19 43.69 3i2e s LEU 278 CO -0.12 0.32 -0.06 -0.63 0.23 0.00 0.00 176.35 176.09 3i2e s ILE 279 N -0.83 0.46 -0.41 -0.59 1.01 -0.53 -4.78 121.20 115.53 3i2e s ILE 279 Ca 0.20 -0.29 -0.03 0.00 0.00 0.00 0.00 60.65 60.53 3i2e s ILE 279 Cb -0.15 -0.40 0.11 0.00 0.01 0.00 0.00 42.46 42.03 3i2e s ILE 279 CO 0.09 0.11 0.20 0.21 0.00 0.00 0.00 174.94 175.55 3i2e s ASN 280 N -0.21 5.26 0.05 3.58 2.47 -1.26 0.05 114.94 124.88 3i2e s ASN 280 Ca 0.02 -2.01 0.00 0.00 0.42 0.00 0.00 52.86 51.29 3i2e s ASN 280 Cb -0.03 -1.83 -0.04 0.00 -1.45 0.00 0.00 41.25 37.90 3i2e s ASN 280 CO -0.00 -0.54 0.17 -0.75 -3.72 0.00 0.00 177.10 172.26 3i2e s LYS 281 N 1.15 3.31 0.00 0.43 2.20 -1.26 -4.85 119.74 120.71 3i2e s LYS 281 Ca 0.08 -0.47 0.00 0.00 -0.36 0.00 0.00 55.97 55.22 3i2e s LYS 281 Cb -0.23 -2.98 0.00 0.00 -1.51 0.00 0.00 37.83 33.12 3i2e s LYS 281 CO -0.04 0.61 0.00 1.63 -0.36 0.00 0.00 175.35 177.19