#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 2.15 0.33 0.00 0.00 -1.26 -4.93 121.76 118.05 3i2e s ALA 9 Ca 0.00 0.66 -0.29 0.00 0.00 0.00 0.00 51.96 52.33 3i2e s ALA 9 Cb 0.00 -3.40 -0.11 0.00 0.00 0.00 0.00 23.12 19.62 3i2e s ALA 9 CO 0.00 -1.81 1.47 0.12 0.00 0.00 0.00 175.76 175.54 3i2e s PHE 10 N -2.31 2.76 0.00 0.00 5.36 -1.26 -2.52 117.98 120.01 3i2e s PHE 10 Ca 0.69 1.11 0.00 0.00 -0.96 0.00 0.00 56.93 57.77 3i2e s PHE 10 Cb -0.24 -3.95 0.00 0.00 -0.34 0.00 0.00 43.02 38.49 3i2e s PHE 10 CO 0.47 -2.88 0.00 0.41 -1.46 0.00 0.00 175.22 171.76 3i2e n GLY 11 N 1.11 0.86 3.73 13.12 0.00 -1.26 -4.44 105.19 118.30 3i2e n GLY 11 Ca 0.03 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.64 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 -0.24 4.56 0.02 1.61 6.06 -1.05 -1.02 118.95 128.89 3i2e s ARG 12 Ca 0.00 1.72 -0.03 0.00 -2.50 0.00 0.00 55.73 54.92 3i2e s ARG 12 Cb 0.00 -3.29 -0.01 0.00 0.06 0.00 0.00 34.95 31.70 3i2e s ARG 12 CO 0.00 0.01 0.04 0.00 -2.50 0.00 0.00 175.30 172.86 3i2e s ALA 13 N 0.02 -0.06 -0.02 6.12 0.00 -1.26 -4.50 121.76 122.07 3i2e s ALA 13 Ca 0.51 -0.42 0.02 0.00 0.00 0.00 0.00 51.96 52.07 3i2e s ALA 13 Cb -0.29 0.15 -0.03 0.00 0.00 0.00 0.00 23.12 22.94 3i2e s ALA 13 CO 0.34 -0.19 0.02 0.25 0.00 0.00 0.00 175.76 176.17 3i2e n THR 14 N 1.45 0.10 -4.25 0.00 -2.24 0.14 -4.92 114.28 104.56 3i2e n THR 14 Ca -0.23 -0.08 -0.16 0.00 -2.27 0.00 0.00 64.05 61.31 3i2e n THR 14 Cb 0.56 -0.53 -0.10 0.00 -2.10 0.00 0.00 70.33 68.16 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 -2.08 1.33 -0.05 4.78 3.76 -0.17 -0.88 115.29 121.97 3i2e s HIS 15 Ca -0.01 -0.67 -0.02 0.00 -0.15 0.00 0.00 55.06 54.21 3i2e s HIS 15 Cb 0.01 -0.68 0.03 0.00 1.11 0.00 0.00 32.58 33.06 3i2e s HIS 15 CO 0.09 0.12 0.08 0.00 -0.85 0.00 0.00 174.74 174.19 3i2e s ALA 16 N -2.88 0.05 -0.21 -1.40 0.00 -0.54 -1.20 121.76 115.57 3i2e s ALA 16 Ca 0.14 0.36 -0.10 0.00 0.00 0.00 0.00 51.96 52.37 3i2e s ALA 16 Cb -0.00 -0.54 -0.05 0.00 0.00 0.00 0.00 23.12 22.53 3i2e s ALA 16 CO 0.02 -0.36 0.12 0.08 0.00 0.00 0.00 175.76 175.62 3i2e s VAL 17 N 1.78 5.22 0.35 0.00 1.01 0.34 -1.07 120.40 128.03 3i2e s VAL 17 Ca -0.01 0.13 0.04 0.00 0.00 0.00 0.00 61.98 62.14 3i2e s VAL 17 Cb -0.12 -3.40 -0.03 0.00 0.00 0.00 0.00 36.38 32.83 3i2e s VAL 17 CO -0.04 0.41 0.15 0.68 0.00 0.00 0.00 175.10 176.30 3i2e s VAL 18 N 0.63 0.48 -0.14 2.92 -7.23 -0.44 -1.28 120.40 115.33 3i2e s VAL 18 Ca 0.07 -2.00 -0.08 0.00 -1.81 0.00 0.00 61.98 58.16 3i2e s VAL 18 Cb -0.12 -2.47 0.05 0.00 0.56 0.00 0.00 36.38 34.40 3i2e s VAL 18 CO 0.01 0.00 0.34 -0.60 -0.31 0.00 0.00 175.10 174.54 3i2e s ARG 19 N -3.74 0.32 0.50 4.82 3.52 -1.26 -1.23 118.95 121.88 3i2e s ARG 19 Ca 0.31 0.66 -0.23 0.00 -0.13 0.00 0.00 55.73 56.34 3i2e s ARG 19 Cb 0.04 -0.04 -0.06 0.00 -1.56 0.00 0.00 34.95 33.33 3i2e s ARG 19 CO 0.17 -0.15 1.36 0.00 -0.81 0.00 0.00 175.30 175.87 3i2e s ALA 20 N 1.23 2.98 0.08 6.12 0.00 -0.95 -4.39 121.76 126.82 3i2e s ALA 20 Ca -0.09 1.33 -0.23 0.00 0.00 0.00 0.00 51.96 52.98 3i2e s ALA 20 Cb -0.09 -3.55 -0.06 0.00 0.00 0.00 0.00 23.12 19.42 3i2e s ALA 20 CO -0.10 -1.23 0.70 -0.48 0.00 0.00 0.00 175.76 174.64 3i2e s LEU 21 N -3.19 4.51 0.67 0.00 0.05 -1.26 -4.00 118.68 115.46 3i2e s LEU 21 Ca 0.67 1.42 -0.11 0.00 0.05 0.00 0.00 54.13 56.16 3i2e s LEU 21 Cb -0.40 -3.12 -0.01 0.00 -2.05 0.00 0.00 46.19 40.61 3i2e s LEU 21 CO 0.49 0.15 1.06 -2.16 -0.55 0.00 0.00 176.35 175.34 3i2e s PRO 22 N -0.64 3.15 0.41 1.48 0.04 -1.26 -4.92 135.00 133.26 3i2e s PRO 22 Ca 0.34 0.73 0.14 0.00 0.04 0.00 0.00 61.00 62.25 3i2e s PRO 22 Cb -0.21 -2.03 0.86 0.00 0.04 0.00 0.00 34.50 33.17 3i2e s PRO 22 CO 0.22 -0.89 1.90 1.49 0.04 0.00 0.00 177.00 179.77 3i2e h GLU 23 N -0.55 0.00 0.00 4.56 4.57 -1.94 -2.50 114.58 118.71 3i2e h GLU 23 Ca -0.44 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 57.74 3i2e h GLU 23 Cb 1.22 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.81 3i2e h GLU 23 CO 0.61 0.28 0.00 0.66 -1.18 0.00 0.00 179.01 179.38 3i2e h SER 24 N 0.00 0.00 -0.71 1.04 4.64 -1.92 -3.13 113.55 113.47 3i2e h SER 24 Ca -0.00 0.00 0.10 0.00 -0.47 0.00 0.00 61.79 61.42 3i2e h SER 24 Cb 0.51 0.00 -0.08 0.00 -0.31 0.00 0.00 62.40 62.52 3i2e h SER 24 CO 0.04 0.00 0.33 0.25 -0.87 0.00 0.00 176.83 176.58 3i2e h LEU 25 N 0.00 0.40 -0.74 5.97 6.46 -1.61 0.16 115.31 125.96 3i2e h LEU 25 Ca 0.00 0.07 0.16 0.00 -0.12 0.00 0.00 57.88 57.99 3i2e h LEU 25 Cb 0.21 0.01 -0.13 0.00 -0.73 0.00 0.00 40.66 40.02 3i2e h LEU 25 CO 0.00 0.22 -0.03 1.23 -0.62 0.00 0.00 178.44 179.24 3i2e h GLY 26 N 0.55 0.77 0.00 3.75 0.00 -1.77 -2.02 103.07 104.34 3i2e h GLY 26 Ca 0.36 0.13 -0.31 0.00 0.00 0.00 0.00 47.33 47.51 3i2e h GLY 26 CO -0.30 -0.28 -2.16 -1.06 0.00 0.00 0.00 176.54 172.74 3i2e n GLN 27 N -5.37 1.18 0.00 4.80 1.13 -1.11 -4.55 117.38 113.46 3i2e n GLN 27 Ca 0.12 0.00 0.10 0.00 -1.94 0.00 0.00 57.00 55.29 3i2e n GLN 27 Cb 0.45 -1.43 -0.09 0.00 0.11 0.00 0.00 30.24 29.28 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 -2.67 0.00 -2.18 1.08 8.25 0.03 -4.97 115.22 114.76 3i2e n HIS 28 Ca -0.28 0.00 -0.38 0.00 -0.26 0.00 0.00 57.72 56.80 3i2e n HIS 28 Cb 1.03 0.00 -0.01 0.00 1.12 0.00 0.00 29.99 32.14 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 -2.78 3.07 0.53 -1.41 0.00 -0.76 -4.83 121.76 115.57 3i2e s ALA 29 Ca 0.10 1.05 -0.20 0.00 0.00 0.00 0.00 51.96 52.91 3i2e s ALA 29 Cb 0.16 -3.42 -0.06 0.00 0.00 0.00 0.00 23.12 19.80 3i2e s ALA 29 CO 0.76 -0.73 1.15 -0.51 0.00 0.00 0.00 175.76 176.44 3i2e s LEU 30 N -2.79 3.80 -0.19 0.00 1.43 -1.26 -5.03 118.68 114.64 3i2e s LEU 30 Ca 0.61 2.24 -0.10 0.00 -1.03 0.00 0.00 54.13 55.85 3i2e s LEU 30 Cb -0.32 -4.50 0.06 0.00 0.03 0.00 0.00 46.19 41.45 3i2e s LEU 30 CO 0.40 -1.20 0.46 0.00 0.23 0.00 0.00 176.35 176.24 3i2e s ARG 31 N -3.16 0.45 0.56 1.70 1.70 -1.26 -4.77 118.95 114.17 3i2e s ARG 31 Ca 0.71 0.87 0.25 0.00 -0.47 0.00 0.00 55.73 57.10 3i2e s ARG 31 Cb -0.26 0.01 1.57 0.00 -0.57 0.00 0.00 34.95 35.71 3i2e s ARG 31 CO 0.30 -0.16 2.16 0.66 -1.08 0.00 0.00 175.30 177.17 3i2e h SER 32 N 7.13 0.00 -4.12 -2.89 4.64 -1.88 -3.43 113.55 113.01 3i2e h SER 32 Ca -0.35 0.00 -0.18 0.00 -0.47 0.00 0.00 61.79 60.79 3i2e h SER 32 Cb 1.19 0.00 -0.25 0.00 -0.31 0.00 0.00 62.40 63.03 3i2e h SER 32 CO 0.27 0.00 -0.55 0.00 -0.87 0.00 0.00 176.83 175.67 3i2e s ALA 33 N -4.80 -0.30 0.14 5.18 0.00 -1.26 -4.92 121.76 115.80 3i2e s ALA 33 Ca -0.05 0.21 -0.31 0.00 0.00 0.00 0.00 51.96 51.81 3i2e s ALA 33 Cb 0.16 -0.12 -0.08 0.00 0.00 0.00 0.00 23.12 23.08 3i2e s ALA 33 CO 0.60 -0.10 1.32 0.15 0.00 0.00 0.00 175.76 177.73 3i2e s LYS 34 N -0.34 4.37 0.00 0.00 -0.14 -1.26 -4.96 119.74 117.40 3i2e s LYS 34 Ca -0.04 2.01 0.00 0.00 -1.36 0.00 0.00 55.97 56.57 3i2e s LYS 34 Cb -0.03 -3.25 0.00 0.00 -1.68 0.00 0.00 37.83 32.87 3i2e s LYS 34 CO 0.00 -0.33 0.00 0.41 -0.76 0.00 0.00 175.35 174.68 3i2e n GLY 35 N 3.01 5.20 3.87 -3.33 0.00 -1.26 -5.15 105.19 107.53 3i2e n GLY 35 Ca 0.09 -1.04 -0.31 0.00 0.00 0.00 0.00 46.02 44.76 3i2e n GLY 35 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3i2e s GLU 36 N 2.20 3.75 0.33 1.61 -1.05 -1.26 -5.00 118.70 119.28 3i2e s GLU 36 Ca 0.00 0.67 -0.28 0.00 -0.15 0.00 0.00 54.97 55.21 3i2e s GLU 36 Cb 0.00 -2.21 -0.12 0.00 -0.44 0.00 0.00 34.13 31.35 3i2e s GLU 36 CO 0.00 -0.29 1.31 -1.91 0.95 0.00 0.00 175.26 175.32 3i2e n GLU 37 N -1.94 2.14 -2.95 -4.83 2.13 -1.26 -4.96 120.64 108.97 3i2e n GLU 37 Ca 0.05 0.75 -0.40 0.00 0.66 0.00 0.00 57.16 58.21 3i2e n GLU 37 Cb 0.54 -2.34 -0.05 0.00 0.27 0.00 0.00 31.44 29.86 3i2e n GLU 37 CO 0.00 0.00 0.00 0.08 -0.41 0.00 0.00 177.13 176.80 3i2e s VAL 38 N -0.99 4.77 -0.67 6.31 1.01 -1.26 -5.00 120.40 124.57 3i2e s VAL 38 Ca 0.57 1.68 -0.19 0.00 0.00 0.00 0.00 61.98 64.03 3i2e s VAL 38 Cb -0.57 -4.14 0.11 0.00 0.00 0.00 0.00 36.38 31.78 3i2e s VAL 38 CO 0.61 0.32 0.80 -0.62 0.00 0.00 0.00 175.10 176.22 3i2e s ASP 39 N 0.17 6.29 0.25 3.32 -1.08 -1.26 -4.91 116.67 119.45 3i2e s ASP 39 Ca 0.40 -1.57 -0.06 0.00 -0.52 0.00 0.00 52.55 50.80 3i2e s ASP 39 Cb -0.20 -2.32 0.26 0.00 -1.46 0.00 0.00 42.92 39.19 3i2e s ASP 39 CO 0.23 -1.11 1.89 0.58 0.52 0.00 0.00 175.17 177.29 3i2e h VAL 40 N 5.82 1.25 -0.30 1.11 2.07 -1.95 -0.06 116.25 124.19 3i2e h VAL 40 Ca -0.20 -0.56 0.00 0.00 0.82 0.00 0.00 66.70 66.76 3i2e h VAL 40 Cb 1.07 -0.05 -0.01 0.00 -1.52 0.00 0.00 31.29 30.78 3i2e h VAL 40 CO 1.08 0.27 0.20 0.00 0.02 0.00 0.00 177.57 179.14 3i2e h ALA 41 N 1.33 0.38 -0.69 1.67 0.00 -1.99 0.92 119.26 120.89 3i2e h ALA 41 Ca 0.33 -0.02 -0.05 0.00 0.00 0.00 0.00 54.91 55.17 3i2e h ALA 41 Cb -0.05 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.59 3i2e h ALA 41 CO -0.06 -0.15 0.24 -0.09 0.00 0.00 0.00 179.25 179.19 3i2e h ARG 42 N 0.41 1.05 -0.75 0.00 9.65 -1.89 -1.48 114.38 121.37 3i2e h ARG 42 Ca 0.11 -0.21 0.00 0.00 -1.10 0.00 0.00 59.98 58.78 3i2e h ARG 42 Cb -0.04 -0.16 -0.04 0.00 -1.39 0.00 0.00 29.97 28.34 3i2e h ARG 42 CO -0.02 0.89 0.48 0.00 2.80 0.00 0.00 179.97 184.11 3i2e h ALA 43 N 1.11 0.95 -0.81 2.80 0.00 -0.54 0.26 119.26 123.03 3i2e h ALA 43 Ca 0.22 -0.07 -0.03 0.00 0.00 0.00 0.00 54.91 55.04 3i2e h ALA 43 Cb 0.26 -0.30 -0.04 0.00 0.00 0.00 0.00 17.79 17.71 3i2e h ALA 43 CO -0.01 0.39 0.40 1.49 0.00 0.00 0.00 179.25 181.52 3i2e h GLU 44 N 1.02 1.15 -0.41 0.00 4.57 -0.37 0.02 114.58 120.56 3i2e h GLU 44 Ca 0.27 -0.16 -0.07 0.00 -1.18 0.00 0.00 59.36 58.22 3i2e h GLU 44 Cb -0.08 -0.21 -0.01 0.00 -0.16 0.00 0.00 28.75 28.28 3i2e h GLU 44 CO -0.06 0.88 -0.01 -0.09 -1.18 0.00 0.00 179.01 178.55 3i2e h ARG 45 N 1.13 0.72 -0.66 1.92 9.65 -0.58 -0.77 114.38 125.80 3i2e h ARG 45 Ca 0.28 -0.24 -0.06 0.00 -1.10 0.00 0.00 59.98 58.86 3i2e h ARG 45 Cb 0.09 -0.06 -0.03 0.00 -1.39 0.00 0.00 29.97 28.58 3i2e h ARG 45 CO -0.04 0.81 0.16 1.96 2.80 0.00 0.00 179.97 185.67 3i2e h GLN 46 N 0.55 1.04 -0.63 0.20 4.20 -0.63 -0.91 115.11 118.93 3i2e h GLN 46 Ca 0.11 -0.24 -0.08 0.00 0.06 0.00 0.00 58.65 58.50 3i2e h GLN 46 Cb 0.50 -0.14 -0.02 0.00 0.30 0.00 0.00 27.48 28.11 3i2e h GLN 46 CO 0.02 0.92 0.07 1.25 -0.67 0.00 0.00 178.83 180.43 3i2e h HIS 47 N 0.99 1.14 -0.75 2.96 2.76 -0.81 -0.82 115.15 120.63 3i2e h HIS 47 Ca 0.21 -0.17 -0.04 0.00 -2.20 0.00 0.00 60.37 58.17 3i2e h HIS 47 Cb 0.35 -0.31 -0.03 0.00 1.55 0.00 0.00 27.41 28.97 3i2e h HIS 47 CO 0.03 0.98 0.31 1.96 -1.30 0.00 0.00 177.93 179.90 3i2e h GLN 48 N 0.98 1.11 -0.67 5.26 4.20 -0.71 -0.69 115.11 124.59 3i2e h GLN 48 Ca 0.19 -0.19 -0.08 0.00 0.06 0.00 0.00 58.65 58.62 3i2e h GLN 48 Cb 0.47 -0.18 -0.03 0.00 0.30 0.00 0.00 27.48 28.05 3i2e h GLN 48 CO 0.02 0.90 0.09 -0.07 -0.67 0.00 0.00 178.83 179.10 3i2e h LEU 49 N 1.07 1.07 0.13 1.46 3.38 -0.88 0.28 115.31 121.83 3i2e h LEU 49 Ca 0.25 -0.27 0.00 0.00 0.09 0.00 0.00 57.88 57.95 3i2e h LEU 49 Cb 0.20 -0.29 -0.01 0.00 0.09 0.00 0.00 40.66 40.65 3i2e h LEU 49 CO -0.02 1.07 -0.12 0.22 0.09 0.00 0.00 178.44 179.68 3i2e h TYR 50 N 1.03 -0.30 -0.65 1.13 3.20 -0.71 -0.94 116.97 119.74 3i2e h TYR 50 Ca 0.20 0.00 -0.02 0.00 3.14 0.00 0.00 58.73 62.05 3i2e h TYR 50 Cb 0.46 0.12 -0.03 0.00 1.54 0.00 0.00 36.73 38.82 3i2e h TYR 50 CO 0.03 -0.18 0.32 0.28 -1.64 0.00 0.00 178.16 176.97 3i2e h VAL 51 N -0.27 1.21 -0.98 1.81 2.07 -0.97 -2.28 116.25 116.84 3i2e h VAL 51 Ca -0.00 -0.57 0.01 0.00 0.82 0.00 0.00 66.70 66.96 3i2e h VAL 51 Cb 0.25 0.37 -0.05 0.00 -1.52 0.00 0.00 31.29 30.34 3i2e h VAL 51 CO -0.02 0.24 0.64 1.23 0.02 0.00 0.00 177.57 179.68 3i2e h GLY 52 N 0.98 1.38 0.80 2.17 0.00 -0.32 -0.90 103.07 107.18 3i2e h GLY 52 Ca 0.23 -0.52 -0.02 0.00 0.00 0.00 0.00 47.33 47.01 3i2e h GLY 52 CO -0.03 0.51 0.01 -2.08 0.00 0.00 0.00 176.54 174.96 3i2e h VAL 53 N 1.33 1.23 -0.42 4.60 2.07 -0.62 -0.94 116.25 123.50 3i2e h VAL 53 Ca 0.36 -0.75 -0.01 0.00 0.82 0.00 0.00 66.70 67.12 3i2e h VAL 53 Cb -0.14 1.46 -0.02 0.00 -1.52 0.00 0.00 31.29 31.07 3i2e h VAL 53 CO -0.08 0.22 0.23 -0.07 0.02 0.00 0.00 177.57 177.90 3i2e h LEU 54 N -0.00 0.52 0.00 2.57 3.38 -1.18 0.34 115.31 120.94 3i2e h LEU 54 Ca 0.04 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 57.93 3i2e h LEU 54 Cb 0.33 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 40.94 3i2e h LEU 54 CO 0.00 0.45 -0.13 0.61 0.09 0.00 0.00 178.44 179.46 3i2e n GLY 55 N -1.01 -0.61 0.08 0.83 0.00 -0.37 -1.74 105.19 102.38 3i2e n GLY 55 Ca 0.01 -0.04 -0.10 0.00 0.00 0.00 0.00 46.02 45.88 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 -0.23 0.10 0.08 1.61 0.02 -1.42 0.17 113.55 113.89 3i2e h SER 56 Ca 0.00 0.00 -0.16 0.00 -0.84 0.00 0.00 61.79 60.80 3i2e h SER 56 Cb 0.13 -0.02 0.02 0.00 0.14 0.00 0.00 62.40 62.68 3i2e h SER 56 CO 0.00 0.08 -0.67 0.50 -1.14 0.00 0.00 176.83 175.60 3i2e h LYS 57 N 0.15 0.30 0.00 3.45 3.64 -1.20 -3.37 116.57 119.54 3i2e h LYS 57 Ca 0.05 -0.44 0.00 0.00 -1.27 0.00 0.00 60.65 58.99 3i2e h LYS 57 Cb 0.01 0.15 0.00 0.00 -0.41 0.00 0.00 32.23 31.98 3i2e h LYS 57 CO -0.03 1.17 -0.81 1.28 -2.27 0.00 0.00 179.45 178.78 3i2e n LEU 58 N -4.21 0.70 0.00 5.20 4.77 0.11 -4.99 117.00 118.57 3i2e n LEU 58 Ca -0.12 -0.18 0.00 0.00 -0.03 0.00 0.00 56.01 55.68 3i2e n LEU 58 Cb 0.74 -0.12 0.00 0.00 -2.33 0.00 0.00 43.42 41.70 3i2e n LEU 58 CO 0.47 0.15 0.00 0.61 -1.33 0.00 0.00 177.39 177.28 3i2e n GLY 59 N 1.47 0.78 3.77 -0.72 0.00 0.60 -4.95 105.19 106.14 3i2e n GLY 59 Ca 0.04 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.72 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 3.61 -0.26 0.99 1.43 -0.71 -4.96 118.68 118.78 3i2e s LEU 60 Ca 0.00 2.12 -0.24 0.00 -1.03 0.00 0.00 54.13 54.98 3i2e s LEU 60 Cb 0.00 -4.57 -0.00 0.00 0.03 0.00 0.00 46.19 41.65 3i2e s LEU 60 CO 0.00 -1.39 0.81 -1.10 0.23 0.00 0.00 176.35 174.89 3i2e s GLN 61 N -3.60 4.12 -0.21 1.70 -0.21 -0.06 -4.27 119.66 117.14 3i2e s GLN 61 Ca 0.71 0.83 -0.12 0.00 0.02 0.00 0.00 55.36 56.80 3i2e s GLN 61 Cb -0.23 -3.67 -0.05 0.00 1.00 0.00 0.00 33.01 30.07 3i2e s GLN 61 CO 0.33 -0.56 0.21 0.08 -2.12 0.00 0.00 175.29 173.23 3i2e s VAL 62 N 2.86 5.34 -0.34 1.09 1.01 -1.26 -1.47 120.40 127.63 3i2e s VAL 62 Ca 0.34 0.33 -0.11 0.00 0.00 0.00 0.00 61.98 62.54 3i2e s VAL 62 Cb -0.15 -3.55 0.01 0.00 0.00 0.00 0.00 36.38 32.69 3i2e s VAL 62 CO 0.09 0.37 0.20 -0.69 0.00 0.00 0.00 175.10 175.07 3i2e s VAL 63 N 0.74 4.74 -0.48 2.92 1.01 -0.24 -4.97 120.40 124.12 3i2e s VAL 63 Ca 0.11 -0.56 -0.13 0.00 0.00 0.00 0.00 61.98 61.39 3i2e s VAL 63 Cb -0.13 -3.52 0.10 0.00 0.00 0.00 0.00 36.38 32.83 3i2e s VAL 63 CO 0.03 -0.08 0.39 -1.61 0.00 0.00 0.00 175.10 173.83 3i2e s GLU 64 N 1.61 2.83 0.37 2.72 2.02 -1.26 -1.33 118.70 125.67 3i2e s GLU 64 Ca 0.04 -1.53 -0.26 0.00 0.02 0.00 0.00 54.97 53.24 3i2e s GLU 64 Cb -0.18 -4.08 -0.09 0.00 0.10 0.00 0.00 34.13 29.89 3i2e s GLU 64 CO 0.07 -1.12 1.11 -0.51 0.02 0.00 0.00 175.26 174.83 3i2e s LEU 65 N 1.54 4.25 0.37 1.80 1.43 -0.37 -4.92 118.68 122.78 3i2e s LEU 65 Ca 0.04 2.22 -0.26 0.00 -1.03 0.00 0.00 54.13 55.09 3i2e s LEU 65 Cb -0.26 -4.00 -0.09 0.00 0.03 0.00 0.00 46.19 41.88 3i2e s LEU 65 CO 0.04 -0.49 1.16 -2.16 0.23 0.00 0.00 176.35 175.12 3i2e s PRO 66 N -2.18 4.22 0.67 1.29 0.04 -1.26 -2.25 135.00 135.53 3i2e s PRO 66 Ca 0.55 1.84 -0.15 0.00 0.04 0.00 0.00 61.00 63.27 3i2e s PRO 66 Cb -0.28 -2.81 0.00 0.00 0.04 0.00 0.00 34.50 31.45 3i2e s PRO 66 CO 0.35 -0.17 1.12 0.00 0.04 0.00 0.00 177.00 178.34 3i2e s ALA 67 N -1.36 2.43 -0.24 8.56 0.00 -1.26 -4.73 121.76 125.17 3i2e s ALA 67 Ca 0.54 0.57 -0.01 0.00 0.00 0.00 0.00 51.96 53.05 3i2e s ALA 67 Cb -0.31 -3.33 0.07 0.00 0.00 0.00 0.00 23.12 19.55 3i2e s ALA 67 CO 0.39 -1.34 0.02 0.34 0.00 0.00 0.00 175.76 175.18 3i2e s ASP 68 N -2.55 3.51 0.61 0.00 3.68 -1.26 -4.99 116.67 115.68 3i2e s ASP 68 Ca 0.67 -1.16 0.28 0.00 2.13 0.00 0.00 52.55 54.47 3i2e s ASP 68 Cb -0.21 -0.86 1.41 0.00 -1.45 0.00 0.00 42.92 41.80 3i2e s ASP 68 CO 0.42 -0.31 1.81 -0.33 0.13 0.00 0.00 175.17 176.89 3i2e h GLU 69 N 8.10 0.00 -0.00 4.34 4.39 -1.96 0.35 114.58 129.80 3i2e h GLU 69 Ca -0.16 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.54 3i2e h GLU 69 Cb 1.08 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.73 3i2e h GLU 69 CO 0.40 0.00 -0.23 -1.13 -1.16 0.00 0.00 179.01 176.89 3i2e n SER 70 N -3.39 0.27 -3.94 1.42 3.41 -1.26 -4.29 113.62 105.84 3i2e n SER 70 Ca 0.06 0.06 -0.29 0.00 -0.26 0.00 0.00 58.87 58.44 3i2e n SER 70 Cb 0.67 -0.13 -0.12 0.00 -0.26 0.00 0.00 64.21 64.38 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 -2.95 4.88 0.55 1.04 1.43 0.12 -4.96 118.68 118.79 3i2e s LEU 71 Ca 0.14 -3.73 0.29 0.00 -1.03 0.00 0.00 54.13 49.80 3i2e s LEU 71 Cb 0.18 -1.68 1.46 0.00 0.03 0.00 0.00 46.19 46.18 3i2e s LEU 71 CO 0.60 -0.12 1.93 -0.65 0.23 0.00 0.00 176.35 178.34 3i2e h PRO 72 N 5.63 0.00 -0.48 1.29 0.11 -1.75 -1.97 132.00 134.83 3i2e h PRO 72 Ca 0.12 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.23 3i2e h PRO 72 Cb 0.78 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.89 3i2e h PRO 72 CO 0.73 0.00 0.00 -0.25 -0.21 0.00 0.00 178.00 178.27 3i2e n ASP 73 N -4.17 3.49 0.26 -2.05 9.92 -1.26 -4.17 116.55 118.57 3i2e n ASP 73 Ca 0.13 -1.97 0.14 0.00 -0.53 0.00 0.00 54.79 52.56 3i2e n ASP 73 Cb 0.78 -0.32 0.73 0.00 -0.64 0.00 0.00 41.12 41.67 3i2e n ASP 73 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 3i2e h VAL 75 N 0.00 0.12 -1.49 0.00 3.04 -1.77 -3.35 116.25 112.81 3i2e h VAL 75 Ca 0.00 -0.59 -0.76 0.00 -1.01 0.00 0.00 66.70 64.35 3i2e h VAL 75 Cb 0.39 1.52 -0.16 0.00 -2.01 0.00 0.00 31.29 31.03 3i2e h VAL 75 CO 0.00 0.04 1.99 0.49 -1.01 0.00 0.00 177.57 179.08 3i2e n PHE 76 N -3.17 2.75 0.30 3.17 0.99 -0.52 -4.47 117.46 116.51 3i2e n PHE 76 Ca 0.00 -2.77 0.17 0.00 -0.00 0.00 0.00 57.45 54.86 3i2e n PHE 76 Cb 0.31 -1.82 0.96 0.00 -1.00 0.00 0.00 39.48 37.93 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 3.33 0.34 -0.45 -4.37 -1.51 -1.65 -2.99 116.25 108.95 3i2e h VAL 77 Ca 0.47 -0.15 0.04 0.00 -1.23 0.00 0.00 66.70 65.83 3i2e h VAL 77 Cb 0.52 1.11 -0.02 0.00 -2.13 0.00 0.00 31.29 30.77 3i2e h VAL 77 CO 1.54 0.03 0.30 -0.08 -1.23 0.00 0.00 177.57 178.13 3i2e h GLU 78 N 0.00 0.45 0.00 5.19 4.81 -1.54 -2.36 114.58 121.13 3i2e h GLU 78 Ca -0.00 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.20 3i2e h GLU 78 Cb 0.11 -0.10 0.00 0.00 0.63 0.00 0.00 28.75 29.38 3i2e h GLU 78 CO 0.00 0.30 0.00 -0.44 -0.73 0.00 0.00 179.01 178.14 3i2e h ASP 79 N 0.46 0.00 0.14 1.04 3.32 -1.77 -3.22 116.42 116.39 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 0.16 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.71 3i2e h ASP 79 CO -0.05 0.00 -0.35 1.33 -1.72 0.00 0.00 179.24 178.46 3i2e n VAL 80 N -3.07 0.00 -3.58 -1.35 0.24 -0.89 -1.11 118.33 108.58 3i2e n VAL 80 Ca 0.01 -0.17 -0.14 0.00 -2.04 0.00 0.00 64.34 61.99 3i2e n VAL 80 Cb 0.33 0.72 -0.06 0.00 -1.47 0.00 0.00 33.84 33.36 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 -2.50 -1.82 -0.12 2.33 0.00 -1.22 -1.84 121.76 116.59 3i2e s ALA 81 Ca 0.22 1.68 0.01 0.00 0.00 0.00 0.00 51.96 53.87 3i2e s ALA 81 Cb 0.19 -0.71 0.02 0.00 0.00 0.00 0.00 23.12 22.61 3i2e s ALA 81 CO 0.54 -0.33 -0.14 0.08 0.00 0.00 0.00 175.76 175.92 3i2e s VAL 82 N -0.43 1.43 -0.14 0.00 1.01 -0.46 -4.78 120.40 117.03 3i2e s VAL 82 Ca -0.04 -0.58 -0.00 0.00 0.00 0.00 0.00 61.98 61.36 3i2e s VAL 82 Cb -0.03 -1.34 -0.01 0.00 0.00 0.00 0.00 36.38 35.01 3i2e s VAL 82 CO 0.03 0.43 -0.13 -0.69 0.00 0.00 0.00 175.10 174.74 3i2e s VAL 83 N 1.24 3.00 -0.17 2.92 1.01 -1.26 -0.30 120.40 126.83 3i2e s VAL 83 Ca -0.02 -0.68 -0.03 0.00 0.00 0.00 0.00 61.98 61.26 3i2e s VAL 83 Cb -0.14 -2.26 0.05 0.00 0.00 0.00 0.00 36.38 34.03 3i2e s VAL 83 CO -0.05 0.52 0.03 0.00 0.00 0.00 0.00 175.10 175.60 3i2e n GLU 85 N 5.07 0.00 -0.14 0.00 1.02 -1.26 -1.51 120.64 123.82 3i2e n GLU 85 Ca -0.09 0.00 0.10 0.00 -0.02 0.00 0.00 57.16 57.16 3i2e n GLU 85 Cb 0.48 0.00 0.30 0.00 -0.02 0.00 0.00 31.44 32.19 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 2.02 -4.64 3.49 4.71 -1.26 -4.69 120.64 134.28 3i2e n GLU 86 Ca 0.00 -1.55 -0.33 0.00 -0.01 0.00 0.00 57.16 55.27 3i2e n GLU 86 Cb 0.00 -1.42 -0.12 0.00 -1.01 0.00 0.00 31.44 28.88 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 -1.64 3.55 -0.16 2.62 2.01 -0.57 -0.17 115.64 121.28 3i2e s THR 87 Ca 0.34 -0.51 0.02 0.00 0.31 0.00 0.00 61.69 61.84 3i2e s THR 87 Cb 0.19 -2.48 0.02 0.00 0.01 0.00 0.00 72.50 70.24 3i2e s THR 87 CO 0.27 0.56 -0.20 0.00 -0.69 0.00 0.00 174.62 174.56 3i2e s ALA 88 N -0.31 2.23 -0.31 7.40 0.00 0.83 -1.18 121.76 130.42 3i2e s ALA 88 Ca 0.04 -1.13 -0.14 0.00 0.00 0.00 0.00 51.96 50.73 3i2e s ALA 88 Cb -0.13 -1.09 -0.03 0.00 0.00 0.00 0.00 23.12 21.88 3i2e s ALA 88 CO 0.02 -0.22 0.34 -1.17 0.00 0.00 0.00 175.76 174.73 3i2e s LEU 89 N 1.11 4.23 -0.32 0.00 2.96 0.59 -1.43 118.68 125.82 3i2e s LEU 89 Ca -0.00 -0.01 -0.23 0.00 -0.22 0.00 0.00 54.13 53.67 3i2e s LEU 89 Cb -0.14 -2.33 0.00 0.00 0.50 0.00 0.00 46.19 44.22 3i2e s LEU 89 CO -0.08 -0.24 0.78 -0.63 -1.32 0.00 0.00 176.35 174.86 3i2e s ILE 90 N 2.00 4.78 0.87 6.68 -1.09 0.58 -1.36 121.20 133.66 3i2e s ILE 90 Ca 0.12 1.09 -0.13 0.00 -2.23 0.00 0.00 60.65 59.50 3i2e s ILE 90 Cb -0.16 -4.16 0.13 0.00 -1.58 0.00 0.00 42.46 36.70 3i2e s ILE 90 CO 0.11 -0.29 1.23 0.42 -1.23 0.00 0.00 174.94 175.18 3i2e s THR 91 N 2.98 2.02 -0.50 2.92 -4.23 -0.77 -0.70 115.64 117.37 3i2e s THR 91 Ca 0.32 -0.04 0.03 0.00 -1.18 0.00 0.00 61.69 60.82 3i2e s THR 91 Cb -0.14 -2.99 0.14 0.00 1.34 0.00 0.00 72.50 70.85 3i2e s THR 91 CO 0.14 0.00 0.27 -0.60 -0.54 0.00 0.00 174.62 173.89 3i2e s ARG 92 N -5.69 1.68 0.31 3.99 3.52 -1.24 -4.68 118.95 116.85 3i2e s ARG 92 Ca 0.67 -2.39 -0.25 0.00 -0.13 0.00 0.00 55.73 53.63 3i2e s ARG 92 Cb -0.08 -2.85 -0.15 0.00 -1.56 0.00 0.00 34.95 30.32 3i2e s ARG 92 CO 0.50 -1.15 0.52 -2.30 -0.81 0.00 0.00 175.30 172.07 3i2e n PRO 93 N 3.21 0.37 -0.06 5.12 -0.02 -1.23 -0.55 135.00 141.84 3i2e n PRO 93 Ca 0.08 0.13 -0.00 0.00 -2.02 0.00 0.00 63.50 61.69 3i2e n PRO 93 Cb 0.34 -1.27 0.27 0.00 -0.02 0.00 0.00 33.50 32.82 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 0.98 0.71 -7.09 -1.23 0.00 -1.78 -3.37 103.07 91.30 3i2e h GLY 94 Ca -0.35 -0.38 -0.62 0.00 0.00 0.00 0.00 47.33 45.98 3i2e h GLY 94 CO 0.54 0.36 0.49 0.00 0.00 0.00 0.00 176.54 177.93 3i2e s ALA 95 N -5.18 3.20 0.30 3.60 0.00 -1.26 -4.94 121.76 117.47 3i2e s ALA 95 Ca -0.09 -1.21 0.02 0.00 0.00 0.00 0.00 51.96 50.68 3i2e s ALA 95 Cb 0.16 -3.66 0.73 0.00 0.00 0.00 0.00 23.12 20.36 3i2e s ALA 95 CO 0.77 -2.26 1.61 -1.35 0.00 0.00 0.00 175.76 174.54 3i2e h PRO 96 N 9.22 0.11 0.00 0.00 0.11 -1.98 0.15 132.00 139.60 3i2e h PRO 96 Ca -0.26 -0.01 -0.01 0.00 0.11 0.00 0.00 66.00 65.84 3i2e h PRO 96 Cb 1.08 -0.02 -0.00 0.00 0.11 0.00 0.00 31.00 32.16 3i2e h PRO 96 CO 1.05 0.07 -0.02 0.66 -0.21 0.00 0.00 178.00 179.55 3i2e h SER 97 N 0.11 0.00 0.62 -2.05 4.64 -1.93 -1.37 113.55 113.58 3i2e h SER 97 Ca 0.57 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.89 3i2e h SER 97 Cb 1.18 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.27 3i2e h SER 97 CO -0.76 0.02 -0.06 0.54 -0.87 0.00 0.00 176.83 175.71 3i2e n ARG 98 N -3.57 0.35 0.03 4.77 1.74 0.04 -3.40 116.66 116.62 3i2e n ARG 98 Ca -0.03 -0.05 0.08 0.00 -0.77 0.00 0.00 57.85 57.08 3i2e n ARG 98 Cb 0.12 -1.50 0.34 0.00 -1.02 0.00 0.00 32.46 30.40 3i2e n ARG 98 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 3i2e n ARG 99 N -1.28 0.05 0.00 5.56 1.74 -0.52 -1.71 116.66 120.50 3i2e n ARG 99 Ca 0.12 0.31 0.14 0.00 -0.77 0.00 0.00 57.85 57.65 3i2e n ARG 99 Cb 0.28 -1.59 0.67 0.00 -1.02 0.00 0.00 32.46 30.80 3i2e n ARG 99 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 3i2e n LYS 100 N -1.68 0.18 0.08 5.56 5.02 -1.22 -3.29 118.16 122.81 3i2e n LYS 100 Ca 0.03 0.01 0.02 0.00 -2.02 0.00 0.00 58.31 56.34 3i2e n LYS 100 Cb 0.17 -1.50 -0.04 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 -0.23 1.97 5.08 -1.60 -3.40 114.58 116.40 3i2e h GLU 101 Ca 0.00 0.00 0.05 0.00 -1.00 0.00 0.00 59.36 58.41 3i2e h GLU 101 Cb 0.41 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.60 3i2e h GLU 101 CO 0.00 0.34 -0.14 0.28 -1.00 0.00 0.00 179.01 178.50 3i2e h VAL 102 N 0.00 0.60 -0.98 3.13 2.07 -1.70 -3.22 116.25 116.14 3i2e h VAL 102 Ca -0.09 0.00 0.14 0.00 0.82 0.00 0.00 66.70 67.57 3i2e h VAL 102 Cb 1.47 0.60 -0.09 0.00 -1.52 0.00 0.00 31.29 31.75 3i2e h VAL 102 CO 0.05 0.00 0.62 0.44 0.02 0.00 0.00 177.57 178.70 3i2e h ASP 103 N -0.12 0.84 -0.54 0.57 3.45 -1.80 -1.21 116.42 117.61 3i2e h ASP 103 Ca 0.13 0.06 -0.12 0.00 0.43 0.00 0.00 57.03 57.53 3i2e h ASP 103 Cb 0.31 -0.11 -0.02 0.00 -0.56 0.00 0.00 39.33 38.95 3i2e h ASP 103 CO -0.30 0.41 -0.12 -0.03 -1.57 0.00 0.00 179.24 177.63 3i2e h MET 104 N 0.88 1.03 -0.24 3.56 4.05 -1.85 -1.94 114.93 120.41 3i2e h MET 104 Ca 0.51 -0.39 -0.02 0.00 -0.28 0.00 0.00 59.70 59.51 3i2e h MET 104 Cb 0.63 -0.06 -0.01 0.00 -0.80 0.00 0.00 31.60 31.36 3i2e h MET 104 CO -0.28 1.08 0.07 1.98 0.23 0.00 0.00 176.91 179.99 3i2e h MET 105 N 0.91 0.38 -0.60 0.39 1.85 -1.48 -2.15 114.93 114.24 3i2e h MET 105 Ca 0.14 -0.09 0.11 0.00 -0.61 0.00 0.00 59.70 59.25 3i2e h MET 105 Cb 0.69 -0.05 -0.09 0.00 0.43 0.00 0.00 31.60 32.58 3i2e h MET 105 CO 0.05 0.48 0.12 -0.22 -0.40 0.00 0.00 176.91 176.94 3i2e h LYS 106 N 0.22 0.24 -0.80 0.39 3.64 -1.10 0.13 116.57 119.29 3i2e h LYS 106 Ca 0.08 -0.01 -0.04 0.00 -1.27 0.00 0.00 60.65 59.40 3i2e h LYS 106 Cb 0.26 -0.05 -0.04 0.00 -0.41 0.00 0.00 32.23 31.99 3i2e h LYS 106 CO -0.00 0.16 0.34 1.49 -2.27 0.00 0.00 179.45 179.17 3i2e h GLU 107 N 0.25 1.17 -0.52 1.90 4.81 -1.17 -0.12 114.58 120.91 3i2e h GLU 107 Ca 0.32 -0.20 -0.11 0.00 -0.13 0.00 0.00 59.36 59.24 3i2e h GLU 107 Cb 0.48 -0.20 -0.02 0.00 0.63 0.00 0.00 28.75 29.64 3i2e h GLU 107 CO -0.41 0.93 -0.13 0.00 -0.73 0.00 0.00 179.01 178.67 3i2e h ALA 108 N 1.22 0.79 -0.09 2.92 0.00 -0.46 -2.14 119.26 121.50 3i2e h ALA 108 Ca 0.27 -0.35 -0.16 0.00 0.00 0.00 0.00 54.91 54.66 3i2e h ALA 108 Cb 0.18 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 3i2e h ALA 108 CO -0.03 0.66 -0.64 -0.07 0.00 0.00 0.00 179.25 179.17 3i2e h LEU 109 N 0.88 0.41 -0.92 0.00 3.38 -0.49 -2.77 115.31 115.79 3i2e h LEU 109 Ca 0.13 -0.24 -0.07 0.00 0.09 0.00 0.00 57.88 57.79 3i2e h LEU 109 Cb 0.68 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 41.29 3i2e h LEU 109 CO 0.05 0.94 0.06 -0.33 0.09 0.00 0.00 178.44 179.25 3i2e h GLU 110 N 0.26 0.85 0.00 1.13 5.08 -0.91 -1.73 114.58 119.25 3i2e h GLU 110 Ca -0.01 -0.21 -0.04 0.00 -1.00 0.00 0.00 59.36 58.10 3i2e h GLU 110 Cb 1.18 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 30.32 3i2e h GLU 110 CO 0.11 0.81 -0.17 -0.22 -1.00 0.00 0.00 179.01 178.54 3i2e h LYS 111 N 0.80 0.00 -0.17 2.33 3.64 -1.16 -0.30 116.57 121.70 3i2e h LYS 111 Ca 0.16 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.54 3i2e h LYS 111 Cb 0.40 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.22 3i2e h LYS 111 CO 0.01 0.17 0.00 1.28 -2.27 0.00 0.00 179.45 178.64 3i2e n LEU 112 N -3.82 1.13 -1.40 5.20 4.77 -0.67 -4.91 117.00 117.30 3i2e n LEU 112 Ca -0.02 -0.53 -0.13 0.00 -0.03 0.00 0.00 56.01 55.30 3i2e n LEU 112 Cb 0.27 -0.11 -0.02 0.00 -2.33 0.00 0.00 43.42 41.23 3i2e n LEU 112 CO 0.33 0.26 -0.16 0.00 -1.33 0.00 0.00 177.39 176.49 3i2e n GLN 113 N 0.05 -1.03 -2.76 3.23 1.13 -0.12 -5.02 117.38 112.85 3i2e n GLN 113 Ca 0.11 0.72 -0.32 0.00 -1.94 0.00 0.00 57.00 55.57 3i2e n GLN 113 Cb 0.21 -4.92 -0.05 0.00 0.11 0.00 0.00 30.24 25.59 3i2e n GLN 113 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 3i2e s LEU 114 N -3.63 3.84 -0.17 1.08 1.43 -1.07 -5.01 118.68 115.14 3i2e s LEU 114 Ca 0.00 1.42 -0.29 0.00 -1.03 0.00 0.00 54.13 54.23 3i2e s LEU 114 Cb 0.00 -4.30 -0.01 0.00 0.03 0.00 0.00 46.19 41.92 3i2e s LEU 114 CO 0.00 -0.41 1.16 0.20 0.23 0.00 0.00 176.35 177.53 3i2e s ASN 115 N -2.73 7.03 -0.18 2.29 0.02 0.76 -4.72 114.94 117.41 3i2e s ASN 115 Ca 0.57 1.58 -0.11 0.00 -1.02 0.00 0.00 52.86 53.87 3i2e s ASN 115 Cb -0.10 -2.54 -0.05 0.00 0.02 0.00 0.00 41.25 38.58 3i2e s ASN 115 CO 0.24 -0.69 0.18 -0.63 0.02 0.00 0.00 177.10 176.23 3i2e s ILE 116 N 3.17 5.38 -0.10 0.60 -1.09 -1.26 -0.12 121.20 127.78 3i2e s ILE 116 Ca 0.50 0.31 0.01 0.00 -2.23 0.00 0.00 60.65 59.24 3i2e s ILE 116 Cb -0.19 -3.51 0.02 0.00 -1.58 0.00 0.00 42.46 37.19 3i2e s ILE 116 CO 0.12 0.45 -0.11 -0.69 -1.23 0.00 0.00 174.94 173.48 3i2e s VAL 117 N 0.23 1.15 -0.15 2.92 1.01 -0.51 -4.98 120.40 120.07 3i2e s VAL 117 Ca 0.11 -0.42 -0.06 0.00 0.00 0.00 0.00 61.98 61.61 3i2e s VAL 117 Cb -0.12 -1.10 -0.04 0.00 0.00 0.00 0.00 36.38 35.12 3i2e s VAL 117 CO 0.01 0.38 0.06 -1.61 0.00 0.00 0.00 175.10 173.93 3i2e s GLU 118 N 1.20 3.72 -0.64 2.72 2.02 -1.26 -0.31 118.70 126.15 3i2e s GLU 118 Ca -0.04 -0.33 -0.25 0.00 0.02 0.00 0.00 54.97 54.37 3i2e s GLU 118 Cb -0.14 -3.13 0.05 0.00 0.10 0.00 0.00 34.13 31.00 3i2e s GLU 118 CO -0.03 0.43 1.07 1.41 0.02 0.00 0.00 175.26 178.16 3i2e s MET 119 N -0.07 3.25 -0.01 1.61 -2.45 0.12 -4.81 119.30 116.94 3i2e s MET 119 Ca 0.06 -0.36 0.12 0.00 -1.25 0.00 0.00 55.69 54.27 3i2e s MET 119 Cb -0.12 -4.13 -0.18 0.00 1.25 0.00 0.00 34.83 31.64 3i2e s MET 119 CO 0.01 -1.79 0.32 1.63 1.05 0.00 0.00 175.02 176.24 3i2e n LYS 120 N 8.19 0.91 -1.63 4.11 4.76 -1.26 -4.40 118.16 128.83 3i2e n LYS 120 Ca 0.01 -0.09 -0.54 0.00 -2.87 0.00 0.00 58.31 54.82 3i2e n LYS 120 Cb 0.47 -1.25 -0.07 0.00 -1.84 0.00 0.00 35.03 32.35 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 -1.80 2.51 0.00 4.39 -0.08 -1.26 -4.80 116.55 115.51 3i2e n ASP 121 Ca -0.01 0.87 0.02 0.00 -1.51 0.00 0.00 54.79 54.16 3i2e n ASP 121 Cb 0.30 -1.21 0.09 0.00 2.34 0.00 0.00 41.12 42.63 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 6.45 0.01 -0.17 -0.67 0.28 -1.26 -1.04 120.64 124.24 3i2e n GLU 122 Ca 0.30 0.39 0.06 0.00 -0.16 0.00 0.00 57.16 57.76 3i2e n GLU 122 Cb 0.18 -1.50 0.16 0.00 1.43 0.00 0.00 31.44 31.71 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 -1.45 2.93 -4.36 -1.84 3.02 -1.26 -4.97 115.26 107.34 3i2e n ASN 123 Ca 0.01 -1.93 -0.32 0.00 -0.03 0.00 0.00 54.58 52.31 3i2e n ASN 123 Cb 0.04 -0.23 -0.15 0.00 -0.61 0.00 0.00 39.78 38.83 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 -1.01 2.38 0.04 5.41 0.00 -0.21 -4.70 121.76 123.67 3i2e s ALA 124 Ca 0.25 -1.02 0.01 0.00 0.00 0.00 0.00 51.96 51.20 3i2e s ALA 124 Cb 0.14 -0.81 -0.03 0.00 0.00 0.00 0.00 23.12 22.42 3i2e s ALA 124 CO 0.18 0.46 -0.05 0.95 0.00 0.00 0.00 175.76 177.30 3i2e s THR 125 N -0.36 0.32 -0.29 0.00 -4.23 -1.26 -4.81 115.64 105.01 3i2e s THR 125 Ca 0.03 -1.17 -0.16 0.00 -1.18 0.00 0.00 61.69 59.21 3i2e s THR 125 Cb -0.12 -0.66 0.16 0.00 1.34 0.00 0.00 72.50 73.21 3i2e s THR 125 CO 0.02 -0.56 1.03 -0.22 -0.54 0.00 0.00 174.62 174.35 3i2e s LEU 126 N -1.83 -0.43 -0.15 4.79 0.20 0.29 -2.31 118.68 119.25 3i2e s LEU 126 Ca -0.09 0.68 -0.07 0.00 0.69 0.00 0.00 54.13 55.34 3i2e s LEU 126 Cb -0.06 1.62 -0.04 0.00 -0.43 0.00 0.00 46.19 47.27 3i2e s LEU 126 CO -0.02 -0.11 0.09 -1.81 -0.29 0.00 0.00 176.35 174.21 3i2e s ASP 127 N 1.34 5.89 0.57 3.68 1.01 -1.26 -3.53 116.67 124.36 3i2e s ASP 127 Ca -0.09 0.24 0.26 0.00 0.71 0.00 0.00 52.55 53.67 3i2e s ASP 127 Cb -0.03 -1.93 1.54 0.00 1.01 0.00 0.00 42.92 43.51 3i2e s ASP 127 CO -0.14 0.28 2.08 1.23 0.21 0.00 0.00 175.17 178.83 3i2e h GLY 128 N 5.91 0.00 2.00 0.21 0.00 -1.14 -0.67 103.07 109.37 3i2e h GLY 128 Ca -0.45 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.88 3i2e h GLY 128 CO 0.65 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.80 3i2e n GLY 129 N -1.48 -1.13 0.81 4.60 0.00 -1.26 -1.64 105.19 105.09 3i2e n GLY 129 Ca 0.03 0.13 0.11 0.00 0.00 0.00 0.00 46.02 46.29 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 -2.26 2.44 -4.43 1.61 8.00 -0.26 -2.32 116.55 119.33 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 0.16 -0.16 -0.13 0.00 -0.02 0.00 0.00 41.12 40.97 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 -1.68 3.85 -0.27 2.53 1.01 -0.65 0.47 120.40 125.66 3i2e s VAL 131 Ca 0.35 -0.35 -0.00 0.00 0.00 0.00 0.00 61.98 61.98 3i2e s VAL 131 Cb 0.20 -2.74 0.05 0.00 0.00 0.00 0.00 36.38 33.88 3i2e s VAL 131 CO 0.28 0.43 -0.06 -0.22 0.00 0.00 0.00 175.10 175.54 3i2e s LEU 132 N 1.02 3.52 -0.35 3.92 2.96 0.30 -4.92 118.68 125.13 3i2e s LEU 132 Ca 0.01 -1.20 -0.13 0.00 -0.22 0.00 0.00 54.13 52.59 3i2e s LEU 132 Cb -0.14 -1.64 -0.01 0.00 0.50 0.00 0.00 46.19 44.89 3i2e s LEU 132 CO 0.01 -0.20 0.27 0.12 -1.32 0.00 0.00 176.35 175.23 3i2e s PHE 133 N 1.22 3.23 -1.23 5.38 5.36 -1.26 -1.25 117.98 129.42 3i2e s PHE 133 Ca -0.05 -0.23 0.27 0.00 -0.96 0.00 0.00 56.93 55.96 3i2e s PHE 133 Cb -0.19 -2.52 0.84 0.00 -0.34 0.00 0.00 43.02 40.81 3i2e s PHE 133 CO -0.04 -0.40 1.63 0.25 -1.46 0.00 0.00 175.22 175.21 3i2e n THR 134 N 5.13 0.00 0.00 0.12 -2.24 -0.63 -4.89 114.28 111.78 3i2e n THR 134 Ca -0.12 -0.03 0.00 0.00 -2.27 0.00 0.00 64.05 61.63 3i2e n THR 134 Cb 0.49 0.05 0.00 0.00 -2.10 0.00 0.00 70.33 68.77 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 1.43 2.21 0.02 3.38 0.00 -1.26 -4.54 105.19 106.43 3i2e n GLY 135 Ca 0.09 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.09 3i2e n GLY 135 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3i2e n ARG 136 N -2.00 3.04 -3.87 1.61 1.74 -1.26 -5.10 116.66 110.82 3i2e n ARG 136 Ca 0.00 -0.01 -0.04 0.00 -0.77 0.00 0.00 57.85 57.03 3i2e n ARG 136 Cb 0.00 -1.11 0.02 0.00 -1.02 0.00 0.00 32.46 30.35 3i2e n ARG 136 CO 0.00 0.00 0.00 -1.83 -1.52 0.00 0.00 177.63 174.28 3i2e s GLU 137 N -2.12 1.55 0.03 5.56 -1.05 -1.26 -4.52 118.70 116.89 3i2e s GLU 137 Ca -0.02 -1.00 0.06 0.00 -0.15 0.00 0.00 54.97 53.86 3i2e s GLU 137 Cb 0.01 0.43 -0.03 0.00 -0.44 0.00 0.00 34.13 34.10 3i2e s GLU 137 CO 0.17 -0.73 -0.14 -0.06 0.95 0.00 0.00 175.26 175.45 3i2e s PHE 138 N -2.13 2.67 -0.11 4.83 0.40 0.26 -1.60 117.98 122.29 3i2e s PHE 138 Ca 0.21 -0.19 0.01 0.00 -0.60 0.00 0.00 56.93 56.36 3i2e s PHE 138 Cb -0.03 -1.51 0.02 0.00 0.51 0.00 0.00 43.02 42.01 3i2e s PHE 138 CO 0.07 0.30 -0.13 -0.06 0.70 0.00 0.00 175.22 176.10 3i2e s PHE 139 N -0.96 1.82 -0.17 0.36 0.40 -0.38 -1.39 117.98 117.66 3i2e s PHE 139 Ca 0.16 -0.86 0.01 0.00 -0.60 0.00 0.00 56.93 55.63 3i2e s PHE 139 Cb -0.11 -1.35 0.01 0.00 0.51 0.00 0.00 43.02 42.08 3i2e s PHE 139 CO 0.06 -0.47 -0.18 0.08 0.70 0.00 0.00 175.22 175.41 3i2e s VAL 140 N 1.13 2.38 0.00 -0.44 1.01 0.47 -0.54 120.40 124.41 3i2e s VAL 140 Ca -0.04 -0.85 -0.30 0.00 0.00 0.00 0.00 61.98 60.78 3i2e s VAL 140 Cb -0.14 -2.00 -0.04 0.00 0.00 0.00 0.00 36.38 34.20 3i2e s VAL 140 CO -0.03 0.52 1.11 -0.83 0.00 0.00 0.00 175.10 175.87 3i2e s GLY 141 N 1.03 2.51 -0.42 4.51 0.00 0.18 -1.35 107.32 113.78 3i2e s GLY 141 Ca -0.01 0.66 -0.20 0.00 0.00 0.00 0.00 44.72 45.17 3i2e s GLY 141 CO -0.05 1.94 0.59 1.08 0.00 0.00 0.00 173.10 176.66 3i2e s LEU 142 N 1.34 4.53 0.00 0.66 1.43 -0.28 -4.58 118.68 121.78 3i2e s LEU 142 Ca 0.55 -0.33 0.00 0.00 -1.03 0.00 0.00 54.13 53.32 3i2e s LEU 142 Cb -0.25 -2.65 0.00 0.00 0.03 0.00 0.00 46.19 43.32 3i2e s LEU 142 CO 0.26 -0.69 0.00 -1.54 0.23 0.00 0.00 176.35 174.61 3i2e n SER 143 N 6.06 0.38 0.22 2.29 3.41 -0.35 -1.53 113.62 124.09 3i2e n SER 143 Ca -0.03 -0.12 0.09 0.00 -0.26 0.00 0.00 58.87 58.55 3i2e n SER 143 Cb 0.48 0.00 0.47 0.00 -0.26 0.00 0.00 64.21 64.90 3i2e n SER 143 CO 0.00 0.00 0.00 0.50 -0.16 0.00 0.00 175.04 175.38 3i2e h LYS 144 N 0.00 0.00 0.02 4.33 1.63 -1.83 -3.26 116.57 117.45 3i2e h LYS 144 Ca 0.00 0.00 -0.37 0.00 -0.85 0.00 0.00 60.65 59.43 3i2e h LYS 144 Cb 0.00 0.00 -0.06 0.00 -0.60 0.00 0.00 32.23 31.57 3i2e h LYS 144 CO 0.00 0.24 -2.28 0.54 -3.45 0.00 0.00 179.45 174.50 3i2e n ARG 145 N -3.46 0.68 -4.15 1.90 5.12 -1.26 -4.93 116.66 110.56 3i2e n ARG 145 Ca -0.00 0.12 -0.34 0.00 -1.93 0.00 0.00 57.85 55.70 3i2e n ARG 145 Cb 0.42 -1.58 -0.14 0.00 -1.16 0.00 0.00 32.46 30.00 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 -2.52 3.08 0.48 0.55 2.01 -1.23 -3.42 115.64 114.58 3i2e s THR 146 Ca -0.19 -0.61 0.07 0.00 0.31 0.00 0.00 61.69 61.27 3i2e s THR 146 Cb 0.07 -2.36 0.01 0.00 0.01 0.00 0.00 72.50 70.23 3i2e s THR 146 CO 0.74 0.47 0.42 0.54 -0.69 0.00 0.00 174.62 176.10 3i2e s ASN 147 N 1.17 4.87 0.23 3.53 2.20 -0.98 -1.21 114.94 124.76 3i2e s ASN 147 Ca 0.02 -0.96 -0.06 0.00 -0.94 0.00 0.00 52.86 50.92 3i2e s ASN 147 Cb -0.14 -0.12 0.40 0.00 -2.00 0.00 0.00 41.25 39.39 3i2e s ASN 147 CO -0.03 -0.89 1.74 -0.61 -2.94 0.00 0.00 177.10 174.37 3i2e h GLN 148 N 0.86 0.43 -0.78 3.55 5.75 -1.94 -1.88 115.11 121.11 3i2e h GLN 148 Ca -0.39 -0.03 0.00 0.00 -0.15 0.00 0.00 58.65 58.09 3i2e h GLN 148 Cb 1.28 -0.10 -0.04 0.00 1.07 0.00 0.00 27.48 29.70 3i2e h GLN 148 CO 0.56 0.29 0.49 0.00 -2.65 0.00 0.00 178.83 177.52 3i2e h ARG 149 N 0.45 1.04 -0.81 1.69 2.47 -1.90 0.02 114.38 117.33 3i2e h ARG 149 Ca 0.38 -0.08 -0.02 0.00 -1.26 0.00 0.00 59.98 59.00 3i2e h ARG 149 Cb 0.54 -0.23 -0.04 0.00 -1.65 0.00 0.00 29.97 28.60 3i2e h ARG 149 CO -0.37 0.71 0.41 0.78 0.56 0.00 0.00 179.97 182.07 3i2e h GLY 150 N 1.06 1.22 1.02 0.04 0.00 -1.47 -0.64 103.07 104.29 3i2e h GLY 150 Ca 0.28 -0.57 -0.06 0.00 0.00 0.00 0.00 47.33 46.98 3i2e h GLY 150 CO -0.06 0.55 0.16 0.00 0.00 0.00 0.00 176.54 177.19 3i2e h ALA 151 N 1.32 0.79 -0.67 3.60 0.00 -0.75 -1.91 119.26 121.65 3i2e h ALA 151 Ca 0.28 -0.22 -0.02 0.00 0.00 0.00 0.00 54.91 54.95 3i2e h ALA 151 Cb 0.07 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.60 3i2e h ALA 151 CO -0.04 0.49 0.35 0.93 0.00 0.00 0.00 179.25 180.99 3i2e h GLU 152 N 0.87 0.94 -0.44 0.00 5.08 -0.34 -1.05 114.58 119.63 3i2e h GLU 152 Ca 0.19 -0.12 -0.09 0.00 -1.00 0.00 0.00 59.36 58.35 3i2e h GLU 152 Cb 0.34 -0.18 -0.02 0.00 0.50 0.00 0.00 28.75 29.39 3i2e h GLU 152 CO -0.00 0.72 -0.08 0.82 -1.00 0.00 0.00 179.01 179.47 3i2e h ILE 153 N 0.92 1.25 -0.51 3.13 2.04 -0.93 -1.34 117.51 122.06 3i2e h ILE 153 Ca 0.23 -1.11 -0.06 0.00 1.00 0.00 0.00 64.86 64.92 3i2e h ILE 153 Cb 0.06 0.99 -0.02 0.00 -0.74 0.00 0.00 36.82 37.11 3i2e h ILE 153 CO -0.04 0.38 0.08 0.25 0.00 0.00 0.00 178.15 178.83 3i2e h LEU 154 N 0.71 0.82 -1.08 1.44 6.46 -0.94 -0.51 115.31 122.21 3i2e h LEU 154 Ca 0.13 -0.26 -0.01 0.00 -0.12 0.00 0.00 57.88 57.61 3i2e h LEU 154 Cb 0.54 -0.22 -0.04 0.00 -0.73 0.00 0.00 40.66 40.22 3i2e h LEU 154 CO 0.03 0.88 0.44 0.00 -0.62 0.00 0.00 178.44 179.17 3i2e h ALA 155 N 0.98 1.30 0.00 1.25 0.00 -0.84 -1.07 119.26 120.88 3i2e h ALA 155 Ca 0.16 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.96 3i2e h ALA 155 Cb 0.41 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 17.88 3i2e h ALA 155 CO 0.01 0.58 0.00 0.22 0.00 0.00 0.00 179.25 180.06 3i2e h ASP 156 N 1.09 0.00 0.43 0.00 1.82 -0.88 -3.20 116.42 115.67 3i2e h ASP 156 Ca 0.28 0.00 -0.31 0.00 -0.39 0.00 0.00 57.03 56.61 3i2e h ASP 156 Cb 0.00 0.00 0.01 0.00 0.68 0.00 0.00 39.33 40.02 3i2e h ASP 156 CO -0.05 0.00 -1.46 0.74 -1.61 0.00 0.00 179.24 176.86 3i2e h THR 157 N 0.00 1.26 -2.37 2.25 2.02 0.10 -3.38 112.91 112.80 3i2e h THR 157 Ca 0.00 -2.82 -0.66 0.00 0.77 0.00 0.00 66.41 63.71 3i2e h THR 157 Cb 0.75 2.89 -0.38 0.00 -1.74 0.00 0.00 68.15 69.67 3i2e h THR 157 CO 0.00 0.84 -0.21 0.49 0.37 0.00 0.00 175.52 177.01 3i2e n PHE 158 N -3.56 3.35 0.33 3.16 3.01 -0.57 -4.90 117.46 118.29 3i2e n PHE 158 Ca -0.15 -3.71 0.21 0.00 1.01 0.00 0.00 57.45 54.81 3i2e n PHE 158 Cb 1.06 -0.74 1.10 0.00 -0.01 0.00 0.00 39.48 40.89 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 4.30 0.00 0.00 -1.08 1.57 -1.74 -2.03 116.57 117.58 3i2e h LYS 159 Ca 0.21 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.99 3i2e h LYS 159 Cb 0.61 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.92 3i2e h LYS 159 CO 0.97 0.00 0.00 -0.25 -0.57 0.00 0.00 179.45 179.60 3i2e n ASP 160 N -3.07 0.00 -4.20 0.86 8.00 -1.26 -4.82 116.55 112.05 3i2e n ASP 160 Ca -0.03 0.15 -0.21 0.00 0.71 0.00 0.00 54.79 55.41 3i2e n ASP 160 Cb 0.16 -0.37 -0.13 0.00 -0.02 0.00 0.00 41.12 40.76 3i2e n ASP 160 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 3i2e s TYR 161 N -2.74 1.41 0.48 1.24 1.51 -0.77 -5.07 117.35 113.40 3i2e s TYR 161 Ca 0.20 -0.42 -0.20 0.00 -1.01 0.00 0.00 57.07 55.64 3i2e s TYR 161 Cb 0.17 -0.80 -0.09 0.00 -0.11 0.00 0.00 41.96 41.14 3i2e s TYR 161 CO 0.43 0.09 1.02 0.00 -1.11 0.00 0.00 175.55 175.98 3i2e s ALA 162 N -1.12 2.90 -0.09 3.71 0.00 -1.26 -4.87 121.76 121.03 3i2e s ALA 162 Ca 0.02 0.55 -0.00 0.00 0.00 0.00 0.00 51.96 52.52 3i2e s ALA 162 Cb -0.09 -3.23 0.02 0.00 0.00 0.00 0.00 23.12 19.82 3i2e s ALA 162 CO 0.03 -0.24 -0.05 0.08 0.00 0.00 0.00 175.76 175.58 3i2e s VAL 163 N -2.05 0.80 0.06 0.00 1.01 -1.26 -0.57 120.40 118.38 3i2e s VAL 163 Ca 0.66 -0.16 0.09 0.00 0.00 0.00 0.00 61.98 62.57 3i2e s VAL 163 Cb -0.15 -0.85 -0.03 0.00 0.00 0.00 0.00 36.38 35.35 3i2e s VAL 163 CO 0.19 0.32 -0.24 -0.44 0.00 0.00 0.00 175.10 174.94 3i2e s SER 164 N 1.68 2.89 0.20 3.32 0.01 -0.49 -5.00 113.70 116.31 3i2e s SER 164 Ca 0.03 -0.59 0.05 0.00 1.31 0.00 0.00 55.95 56.75 3i2e s SER 164 Cb -0.13 -0.24 -0.04 0.00 0.21 0.00 0.00 66.02 65.83 3i2e s SER 164 CO -0.06 0.20 0.22 0.42 0.41 0.00 0.00 173.24 174.44 3i2e s THR 165 N -0.85 4.81 -0.09 1.44 -4.23 -1.26 -0.39 115.64 115.06 3i2e s THR 165 Ca 0.10 -1.05 -0.04 0.00 -1.18 0.00 0.00 61.69 59.51 3i2e s THR 165 Cb -0.10 -3.52 0.04 0.00 1.34 0.00 0.00 72.50 70.26 3i2e s THR 165 CO 0.02 -0.20 0.20 0.54 -0.54 0.00 0.00 174.62 174.65 3i2e s VAL 166 N -1.88 -0.04 0.30 2.29 0.11 -0.46 -4.87 120.40 115.85 3i2e s VAL 166 Ca 0.33 0.15 -0.30 0.00 -2.93 0.00 0.00 61.98 59.23 3i2e s VAL 166 Cb -0.10 -0.32 -0.12 0.00 -1.53 0.00 0.00 36.38 34.32 3i2e s VAL 166 CO 0.26 0.06 1.57 -2.65 -3.33 0.00 0.00 175.10 171.02 3i2e n PRO 167 N 4.16 2.66 -4.57 1.54 -0.02 -1.26 -1.13 135.00 136.38 3i2e n PRO 167 Ca -0.25 0.95 -0.23 0.00 -2.02 0.00 0.00 63.50 61.94 3i2e n PRO 167 Cb 0.53 -2.72 -0.16 0.00 -0.02 0.00 0.00 33.50 31.13 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 -0.13 1.06 0.52 -1.45 1.01 -0.58 -4.82 120.40 116.00 3i2e s VAL 168 Ca 0.63 -0.50 0.07 0.00 0.00 0.00 0.00 61.98 62.18 3i2e s VAL 168 Cb -0.50 -0.93 0.07 0.00 0.00 0.00 0.00 36.38 35.02 3i2e s VAL 168 CO 0.50 0.32 0.59 0.00 0.00 0.00 0.00 175.10 176.52 3i2e n ALA 169 N 3.33 0.99 -0.37 5.51 0.00 -1.26 -4.46 120.51 124.25 3i2e n ALA 169 Ca -0.19 -1.95 0.00 0.00 0.00 0.00 0.00 53.44 51.30 3i2e n ALA 169 Cb 0.53 0.64 0.00 0.00 0.00 0.00 0.00 19.45 20.62 3i2e n ALA 169 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 3i2e n ASP 170 N -2.18 0.00 -2.10 0.00 3.85 -1.26 -2.02 116.55 112.84 3i2e n ASP 170 Ca 0.08 0.00 -0.22 0.00 -0.71 0.00 0.00 54.79 53.94 3i2e n ASP 170 Cb 0.56 0.00 0.17 0.00 -1.35 0.00 0.00 41.12 40.50 3i2e n ASP 170 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 3i2e n GLY 171 N 0.00 4.70 3.95 6.12 0.00 -1.26 -4.66 105.19 114.04 3i2e n GLY 171 Ca 0.00 -1.23 -0.24 0.00 0.00 0.00 0.00 46.02 44.55 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 -3.35 3.16 0.24 0.99 1.43 -0.86 -4.83 118.68 115.48 3i2e s LEU 172 Ca 0.56 0.28 0.08 0.00 -1.03 0.00 0.00 54.13 54.02 3i2e s LEU 172 Cb 0.47 -3.07 -0.05 0.00 0.03 0.00 0.00 46.19 43.57 3i2e s LEU 172 CO 0.08 -1.23 -0.13 -1.00 0.23 0.00 0.00 176.35 174.31 3i2e s HIS 173 N -2.93 1.89 0.19 0.29 3.76 -1.26 -4.76 115.29 112.47 3i2e s HIS 173 Ca 0.57 -0.57 -0.12 0.00 -0.15 0.00 0.00 55.06 54.78 3i2e s HIS 173 Cb -0.10 -0.94 0.21 0.00 1.11 0.00 0.00 32.58 32.86 3i2e s HIS 173 CO 0.41 0.40 1.73 1.25 -0.85 0.00 0.00 174.74 177.67 3i2e h LEU 174 N 2.42 0.07 -1.25 0.89 5.85 -1.81 -1.49 115.31 119.99 3i2e h LEU 174 Ca -0.39 0.08 -0.00 0.00 0.84 0.00 0.00 57.88 58.41 3i2e h LEU 174 Cb 1.23 0.10 -0.00 0.00 0.37 0.00 0.00 40.66 42.36 3i2e h LEU 174 CO 0.63 0.06 0.00 0.29 -0.34 0.00 0.00 178.44 179.09 3i2e n LYS 175 N -5.07 1.33 0.05 1.25 5.02 -0.98 -3.08 118.16 116.68 3i2e n LYS 175 Ca 0.06 -0.27 0.13 0.00 -2.02 0.00 0.00 58.31 56.21 3i2e n LYS 175 Cb 0.24 -1.55 0.40 0.00 -0.02 0.00 0.00 35.03 34.10 3i2e n LYS 175 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 3i2e n SER 176 N 0.06 0.49 -0.23 4.39 7.64 -0.56 -4.03 113.62 121.38 3i2e n SER 176 Ca 0.02 0.34 0.00 0.00 1.01 0.00 0.00 58.87 60.25 3i2e n SER 176 Cb 0.34 -0.36 0.00 0.00 -1.01 0.00 0.00 64.21 63.18 3i2e n SER 176 CO 0.00 0.00 0.00 2.22 -3.01 0.00 0.00 175.04 174.25 3i2e n PHE 177 N -1.89 0.00 -3.62 1.43 1.16 -1.18 -3.64 117.46 109.73 3i2e n PHE 177 Ca 0.06 0.00 -0.07 0.00 -1.87 0.00 0.00 57.45 55.56 3i2e n PHE 177 Cb 0.39 -0.01 -0.02 0.00 -1.61 0.00 0.00 39.48 38.23 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 -0.37 0.00 -4.72 0.00 3.41 -0.98 -4.33 113.62 106.63 3i2e n SER 179 Ca -0.09 0.00 -0.41 0.00 -0.26 0.00 0.00 58.87 58.11 3i2e n SER 179 Cb 0.62 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 4.58 0.00 4.33 -1.94 -1.26 0.13 119.30 123.14 3i2e s MET 180 Ca 0.00 1.59 0.14 0.00 -1.71 0.00 0.00 55.69 55.70 3i2e s MET 180 Cb 0.00 -3.36 0.04 0.00 2.01 0.00 0.00 34.83 33.52 3i2e s MET 180 CO 0.00 0.01 0.83 0.00 -0.01 0.00 0.00 175.02 175.85 3i2e n ALA 181 N 3.19 2.79 0.00 3.03 0.00 0.97 -4.03 120.51 126.46 3i2e n ALA 181 Ca 0.05 -0.54 0.00 0.00 0.00 0.00 0.00 53.44 52.95 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 0.93 -2.23 3.68 0.00 0.00 -1.16 -4.90 105.19 101.51 3i2e n GLY 182 Ca 0.07 -1.21 -0.44 0.00 0.00 0.00 0.00 46.02 44.43 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 -0.59 2.56 -1.49 1.61 -0.02 -1.26 -1.28 135.00 134.53 3i2e n PRO 183 Ca 0.00 0.93 -0.17 0.00 -2.02 0.00 0.00 63.50 62.24 3i2e n PRO 183 Cb 0.00 -2.80 -0.07 0.00 -0.02 0.00 0.00 33.50 30.61 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 5.64 -4.96 -4.12 2.55 4.05 -1.26 -4.94 115.26 112.22 3i2e n ASN 184 Ca 0.19 0.43 -0.33 0.00 0.45 0.00 0.00 54.58 55.32 3i2e n ASN 184 Cb 0.34 -4.30 -0.15 0.00 1.23 0.00 0.00 39.78 36.90 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 -4.12 2.92 -0.26 1.20 2.96 -0.40 -0.89 118.68 120.10 3i2e s LEU 185 Ca 0.00 -1.01 -0.09 0.00 -0.22 0.00 0.00 54.13 52.81 3i2e s LEU 185 Cb 0.00 -1.55 -0.04 0.00 0.50 0.00 0.00 46.19 45.10 3i2e s LEU 185 CO 0.00 -0.11 0.12 -0.63 -1.32 0.00 0.00 176.35 174.41 3i2e s ILE 186 N 1.22 4.78 0.01 6.68 1.01 -0.49 -0.02 121.20 134.38 3i2e s ILE 186 Ca -0.02 -0.01 -0.30 0.00 0.00 0.00 0.00 60.65 60.32 3i2e s ILE 186 Cb -0.17 -3.25 -0.03 0.00 0.01 0.00 0.00 42.46 39.02 3i2e s ILE 186 CO -0.08 0.31 0.98 0.00 0.00 0.00 0.00 174.94 176.16 3i2e s ALA 187 N 1.57 3.17 0.01 9.38 0.00 0.12 -1.32 121.76 134.70 3i2e s ALA 187 Ca 0.06 0.55 0.01 0.00 0.00 0.00 0.00 51.96 52.58 3i2e s ALA 187 Cb -0.15 -3.34 -0.01 0.00 0.00 0.00 0.00 23.12 19.62 3i2e s ALA 187 CO 0.06 -0.22 -0.04 -1.50 0.00 0.00 0.00 175.76 174.06 3i2e s ILE 188 N 0.96 0.24 1.07 0.00 1.10 -0.30 -2.31 121.20 121.97 3i2e s ILE 188 Ca 0.52 -0.54 -0.17 0.00 -0.51 0.00 0.00 60.65 59.95 3i2e s ILE 188 Cb -0.21 -0.28 0.24 0.00 0.15 0.00 0.00 42.46 42.35 3i2e s ILE 188 CO 0.28 -0.20 1.21 -0.83 -2.11 0.00 0.00 174.94 173.29 3i2e s GLY 189 N -0.78 1.67 0.00 1.50 0.00 -0.77 -1.26 107.32 107.69 3i2e s GLY 189 Ca -0.06 -1.04 0.13 0.00 0.00 0.00 0.00 44.72 43.75 3i2e s GLY 189 CO -0.00 -0.23 0.87 1.44 0.00 0.00 0.00 173.10 175.18 3i2e n SER 190 N -4.24 1.93 -4.70 1.64 7.64 -1.05 -4.44 113.62 110.40 3i2e n SER 190 Ca 0.14 -1.46 -0.30 0.00 1.01 0.00 0.00 58.87 58.25 3i2e n SER 190 Cb 0.59 0.10 0.14 0.00 -1.01 0.00 0.00 64.21 64.03 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 -1.17 3.42 0.16 6.43 1.04 -1.26 -4.77 113.70 117.55 3i2e s SER 191 Ca 0.14 1.70 -0.16 0.00 0.48 0.00 0.00 55.95 58.11 3i2e s SER 191 Cb 0.11 -2.34 0.10 0.00 0.10 0.00 0.00 66.02 63.99 3i2e s SER 191 CO 0.19 -2.70 1.71 -0.08 0.98 0.00 0.00 173.24 173.34 3i2e h GLU 192 N -1.59 0.14 0.09 4.02 4.81 -1.99 -1.28 114.58 118.79 3i2e h GLU 192 Ca -0.48 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 58.74 3i2e h GLU 192 Cb 1.27 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 30.61 3i2e h GLU 192 CO 0.51 0.10 -0.08 0.77 -0.73 0.00 0.00 179.01 179.58 3i2e h SER 193 N 0.15 -0.21 -0.51 1.04 0.02 -1.99 -0.97 113.55 111.08 3i2e h SER 193 Ca 0.19 0.02 0.06 0.00 -0.84 0.00 0.00 61.79 61.22 3i2e h SER 193 Cb 0.25 0.07 -0.05 0.00 0.14 0.00 0.00 62.40 62.80 3i2e h SER 193 CO -0.28 -0.13 0.20 0.00 -1.14 0.00 0.00 176.83 175.48 3i2e h ALA 194 N 0.71 0.63 -0.39 3.77 0.00 -1.80 -1.40 119.26 120.79 3i2e h ALA 194 Ca 0.00 0.05 -0.10 0.00 0.00 0.00 0.00 54.91 54.86 3i2e h ALA 194 Cb 0.17 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 3i2e h ALA 194 CO -0.01 -0.18 -0.18 1.96 0.00 0.00 0.00 179.25 180.84 3i2e h GLN 195 N 0.40 0.74 -0.38 0.00 1.08 -1.09 -1.45 115.11 114.41 3i2e h GLN 195 Ca 0.24 -0.27 -0.01 0.00 -1.45 0.00 0.00 58.65 57.15 3i2e h GLN 195 Cb 0.23 -0.05 -0.02 0.00 -0.05 0.00 0.00 27.48 27.60 3i2e h GLN 195 CO -0.22 0.87 0.18 0.87 -0.95 0.00 0.00 178.83 179.58 3i2e h LYS 196 N 0.66 0.55 -0.25 1.46 1.57 -0.67 -1.80 116.57 118.10 3i2e h LYS 196 Ca 0.10 -0.08 -0.01 0.00 -1.87 0.00 0.00 60.65 58.79 3i2e h LYS 196 Cb 0.66 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.86 3i2e h LYS 196 CO 0.05 0.49 0.13 0.00 -0.57 0.00 0.00 179.45 179.55 3i2e h ALA 197 N 1.03 0.32 -0.51 3.86 0.00 -1.10 -2.62 119.26 120.25 3i2e h ALA 197 Ca 0.13 -0.08 0.06 0.00 0.00 0.00 0.00 54.91 55.02 3i2e h ALA 197 Cb 0.12 -0.10 -0.05 0.00 0.00 0.00 0.00 17.79 17.76 3i2e h ALA 197 CO -0.02 -0.14 0.23 1.25 0.00 0.00 0.00 179.25 180.58 3i2e h LEU 198 N 0.28 0.30 -1.05 0.00 5.85 -1.09 -1.20 115.31 118.39 3i2e h LEU 198 Ca 0.09 0.04 0.02 0.00 0.84 0.00 0.00 57.88 58.87 3i2e h LEU 198 Cb 0.09 -0.01 -0.05 0.00 0.37 0.00 0.00 40.66 41.06 3i2e h LEU 198 CO -0.01 0.21 0.64 0.11 -0.34 0.00 0.00 178.44 179.04 3i2e h LYS 199 N 0.45 1.24 -0.31 1.25 1.57 -1.18 -0.07 116.57 119.52 3i2e h LYS 199 Ca 0.23 -0.07 -0.03 0.00 -1.87 0.00 0.00 60.65 58.91 3i2e h LYS 199 Cb 0.19 -0.28 -0.01 0.00 0.08 0.00 0.00 32.23 32.21 3i2e h LYS 199 CO -0.19 0.82 0.07 0.82 -0.57 0.00 0.00 179.45 180.39 3i2e h ILE 200 N 1.27 1.22 -0.62 1.86 2.04 -1.00 -1.28 117.51 121.01 3i2e h ILE 200 Ca 0.37 -0.75 -0.02 0.00 1.00 0.00 0.00 64.86 65.46 3i2e h ILE 200 Cb -0.08 1.13 -0.03 0.00 -0.74 0.00 0.00 36.82 37.10 3i2e h ILE 200 CO -0.10 0.25 0.31 0.24 0.00 0.00 0.00 178.15 178.85 3i2e h MET 201 N 0.33 0.88 -0.70 2.37 2.86 -0.76 -1.61 114.93 118.31 3i2e h MET 201 Ca 0.10 -0.12 -0.03 0.00 -2.06 0.00 0.00 59.70 57.59 3i2e h MET 201 Cb 0.31 -0.16 -0.03 0.00 0.06 0.00 0.00 31.60 31.77 3i2e h MET 201 CO 0.00 0.69 0.32 1.96 1.06 0.00 0.00 176.91 180.95 3i2e h GLN 202 N 0.84 1.01 -0.47 1.72 1.08 -0.89 -2.37 115.11 116.03 3i2e h GLN 202 Ca 0.21 -0.16 -0.10 0.00 -1.45 0.00 0.00 58.65 57.15 3i2e h GLN 202 Cb 0.09 -0.18 -0.02 0.00 -0.05 0.00 0.00 27.48 27.33 3i2e h GLN 202 CO -0.03 0.81 -0.12 0.37 -0.95 0.00 0.00 178.83 178.91 3i2e h GLN 203 N 0.98 0.87 0.00 1.46 -0.00 -0.95 -3.20 115.11 114.26 3i2e h GLN 203 Ca 0.24 -0.31 -0.16 0.00 -0.00 0.00 0.00 58.65 58.42 3i2e h GLN 203 Cb 0.14 -0.06 -0.02 0.00 0.00 0.00 0.00 27.48 27.53 3i2e h GLN 203 CO -0.03 0.94 -0.75 0.52 0.00 0.00 0.00 178.83 179.51 3i2e h MET 204 N 0.78 0.00 -7.14 1.69 2.86 -1.17 -3.47 114.93 108.49 3i2e h MET 204 Ca 0.13 0.00 -0.49 0.00 -2.06 0.00 0.00 59.70 57.28 3i2e h MET 204 Cb 0.63 0.00 0.06 0.00 0.06 0.00 0.00 31.60 32.35 3i2e h MET 204 CO 0.04 0.75 0.39 0.45 1.06 0.00 0.00 176.91 179.60 3i2e s SER 205 N -6.69 5.88 0.03 1.22 0.15 -0.90 -4.94 113.70 108.44 3i2e s SER 205 Ca 0.01 1.92 0.27 0.00 0.70 0.00 0.00 55.95 58.85 3i2e s SER 205 Cb 0.11 -2.55 1.12 0.00 -1.71 0.00 0.00 66.02 62.99 3i2e s SER 205 CO 0.78 -1.10 1.86 0.47 1.20 0.00 0.00 173.24 176.45 3i2e n ASP 206 N -1.65 0.11 -3.85 5.45 8.00 -1.26 -4.77 116.55 118.58 3i2e n ASP 206 Ca 0.09 0.51 -0.12 0.00 0.71 0.00 0.00 54.79 55.98 3i2e n ASP 206 Cb 0.52 -0.54 -0.14 0.00 -0.02 0.00 0.00 41.12 40.94 3i2e n ASP 206 CO 0.00 0.00 0.00 -2.28 -0.39 0.00 0.00 177.20 174.53 3i2e s HIS 207 N -3.02 -0.01 0.24 1.24 2.46 -1.26 -5.14 115.29 109.80 3i2e s HIS 207 Ca 0.13 0.06 -0.30 0.00 0.47 0.00 0.00 55.06 55.42 3i2e s HIS 207 Cb 0.17 -0.03 -0.09 0.00 -0.13 0.00 0.00 32.58 32.50 3i2e s HIS 207 CO 0.51 -0.02 1.12 0.50 -2.47 0.00 0.00 174.74 174.37 3i2e s ARG 208 N 0.18 4.60 0.13 2.88 6.06 -1.26 -4.98 118.95 126.56 3i2e s ARG 208 Ca -0.01 1.80 0.03 0.00 -2.50 0.00 0.00 55.73 55.04 3i2e s ARG 208 Cb -0.02 -3.22 -0.04 0.00 0.06 0.00 0.00 34.95 31.74 3i2e s ARG 208 CO -0.00 0.13 0.23 0.71 -2.50 0.00 0.00 175.30 173.87 3i2e s TYR 209 N -0.77 3.41 0.49 5.12 1.51 -1.26 -5.10 117.35 120.76 3i2e s TYR 209 Ca 0.47 0.11 -0.12 0.00 -1.01 0.00 0.00 57.07 56.52 3i2e s TYR 209 Cb -0.31 -1.65 -0.06 0.00 -0.11 0.00 0.00 41.96 39.83 3i2e s TYR 209 CO 0.39 0.53 0.89 -0.51 -1.11 0.00 0.00 175.55 175.74 3i2e s ASP 210 N -3.04 6.45 0.07 2.29 -0.00 -0.07 -4.95 116.67 117.43 3i2e s ASP 210 Ca 0.34 1.29 0.02 0.00 -0.00 0.00 0.00 52.55 54.19 3i2e s ASP 210 Cb -0.11 -2.40 -0.03 0.00 -0.00 0.00 0.00 42.92 40.38 3i2e s ASP 210 CO 0.27 -0.58 -0.07 -1.59 -0.00 0.00 0.00 175.17 173.20 3i2e s LYS 211 N -4.33 0.68 -0.31 8.23 -2.85 -1.26 -1.39 119.74 118.51 3i2e s LYS 211 Ca 0.54 -1.06 0.02 0.00 -1.00 0.00 0.00 55.97 54.46 3i2e s LYS 211 Cb -0.10 -0.23 0.09 0.00 -2.06 0.00 0.00 37.83 35.53 3i2e s LYS 211 CO 0.38 0.01 0.05 -1.17 0.10 0.00 0.00 175.35 174.72 3i2e s LEU 212 N -2.36 3.40 -0.16 2.77 2.96 -0.43 -4.90 118.68 119.96 3i2e s LEU 212 Ca 0.02 -1.79 -0.22 0.00 -0.22 0.00 0.00 54.13 51.92 3i2e s LEU 212 Cb -0.02 -1.25 -0.03 0.00 0.50 0.00 0.00 46.19 45.39 3i2e s LEU 212 CO -0.03 -0.37 0.67 -0.89 -1.32 0.00 0.00 176.35 174.42 3i2e s THR 213 N 1.27 5.01 0.07 3.68 2.01 -1.26 -1.15 115.64 125.27 3i2e s THR 213 Ca 0.08 1.31 0.08 0.00 0.31 0.00 0.00 61.69 63.47 3i2e s THR 213 Cb -0.18 -3.99 -0.03 0.00 0.01 0.00 0.00 72.50 68.30 3i2e s THR 213 CO -0.14 0.14 -0.21 0.68 -0.69 0.00 0.00 174.62 174.39 3i2e s VAL 214 N 1.64 2.62 0.48 3.82 -7.23 -0.39 -4.96 120.40 116.37 3i2e s VAL 214 Ca 0.32 -1.37 0.14 0.00 -1.81 0.00 0.00 61.98 59.26 3i2e s VAL 214 Cb -0.16 -2.12 0.24 0.00 0.56 0.00 0.00 36.38 34.90 3i2e s VAL 214 CO 0.12 0.25 2.08 -0.65 -0.31 0.00 0.00 175.10 176.60 3i2e h PRO 215 N 4.31 0.10 -4.68 4.82 0.11 -1.88 -2.78 132.00 132.00 3i2e h PRO 215 Ca -0.48 -0.01 -0.69 0.00 0.11 0.00 0.00 66.00 64.92 3i2e h PRO 215 Cb 1.16 -0.02 -0.27 0.00 0.11 0.00 0.00 31.00 31.98 3i2e h PRO 215 CO 0.45 0.13 -0.58 -0.51 -0.21 0.00 0.00 178.00 177.28 3i2e s ASP 216 N -6.98 5.41 0.21 -2.05 1.11 -1.26 -4.42 116.67 108.69 3i2e s ASP 216 Ca -0.05 -0.97 -0.16 0.00 0.18 0.00 0.00 52.55 51.54 3i2e s ASP 216 Cb 0.17 -1.92 0.23 0.00 1.07 0.00 0.00 42.92 42.46 3i2e s ASP 216 CO 0.69 -0.31 1.59 0.44 1.18 0.00 0.00 175.17 178.76 3i2e h ASP 217 N 8.29 -0.98 -0.61 0.27 5.19 -1.90 0.58 116.42 127.27 3i2e h ASP 217 Ca -0.26 0.24 0.08 0.00 -0.62 0.00 0.00 57.03 56.47 3i2e h ASP 217 Cb 1.10 0.55 -0.04 0.00 0.18 0.00 0.00 39.33 41.12 3i2e h ASP 217 CO 0.62 -0.28 0.41 0.40 -3.12 0.00 0.00 179.24 177.27 3i2e h ILE 218 N -0.07 0.94 0.00 0.35 2.04 -1.92 0.57 117.51 119.42 3i2e h ILE 218 Ca 0.31 -0.17 0.00 0.00 1.00 0.00 0.00 64.86 65.99 3i2e h ILE 218 Cb 0.56 0.39 0.00 0.00 -0.74 0.00 0.00 36.82 37.03 3i2e h ILE 218 CO -0.76 0.09 0.00 0.00 0.00 0.00 0.00 178.15 177.48 3i2e n ALA 219 N -2.50 2.05 1.26 1.87 0.00 0.18 -2.23 120.51 121.15 3i2e n ALA 219 Ca 0.10 -0.09 0.14 0.00 0.00 0.00 0.00 53.44 53.58 3i2e n ALA 219 Cb 0.31 -1.33 0.70 0.00 0.00 0.00 0.00 19.45 19.13 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 -1.29 2.40 -2.74 0.00 0.00 0.19 -4.55 120.51 114.52 3i2e n ALA 220 Ca 0.09 -0.13 -0.44 0.00 0.00 0.00 0.00 53.44 52.97 3i2e n ALA 220 Cb 0.16 -1.47 -0.07 0.00 0.00 0.00 0.00 19.45 18.08 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 -2.70 6.22 0.32 0.00 3.84 -0.94 -3.20 114.94 118.48 3i2e s ASN 221 Ca 0.23 -0.90 0.03 0.00 0.21 0.00 0.00 52.86 52.43 3i2e s ASN 221 Cb 0.19 -2.28 -0.04 0.00 -0.55 0.00 0.00 41.25 38.57 3i2e s ASN 221 CO 0.47 -0.84 0.12 0.00 -2.79 0.00 0.00 177.10 174.06 3i2e s ILE 223 N -3.49 2.41 -0.14 0.00 1.01 -0.52 -4.61 121.20 115.86 3i2e s ILE 223 Ca 0.34 -0.84 -0.05 0.00 0.00 0.00 0.00 60.65 60.09 3i2e s ILE 223 Cb 0.06 -2.02 -0.04 0.00 0.01 0.00 0.00 42.46 40.48 3i2e s ILE 223 CO 0.16 0.52 0.04 -0.47 0.00 0.00 0.00 174.94 175.18 3i2e s TYR 224 N 1.07 3.22 0.00 3.97 5.04 -1.26 -0.60 117.35 128.80 3i2e s TYR 224 Ca -0.00 0.09 0.00 0.00 -2.44 0.00 0.00 57.07 54.72 3i2e s TYR 224 Cb -0.14 -1.96 -0.00 0.00 0.35 0.00 0.00 41.96 40.20 3i2e s TYR 224 CO -0.06 0.28 -0.01 -0.51 -1.34 0.00 0.00 175.55 173.91 3i2e s LEU 225 N -0.14 2.03 -0.40 6.97 1.43 0.48 -4.84 118.68 124.21 3i2e s LEU 225 Ca 0.06 -0.07 -0.09 0.00 -1.03 0.00 0.00 54.13 53.00 3i2e s LEU 225 Cb -0.12 -0.05 0.06 0.00 0.03 0.00 0.00 46.19 46.11 3i2e s LEU 225 CO 0.02 -0.02 0.22 0.21 0.23 0.00 0.00 176.35 177.01 3i2e s ASN 226 N -0.18 5.60 -0.11 2.29 3.84 -0.19 -0.21 114.94 125.98 3i2e s ASN 226 Ca -0.01 -1.34 -0.04 0.00 0.21 0.00 0.00 52.86 51.68 3i2e s ASN 226 Cb -0.01 -1.97 -0.03 0.00 -0.55 0.00 0.00 41.25 38.68 3i2e s ASN 226 CO -0.00 -0.47 0.02 -0.63 -2.79 0.00 0.00 177.10 173.23 3i2e s ILE 227 N 1.44 4.49 0.20 -5.21 -1.09 -0.58 -4.21 121.20 116.25 3i2e s ILE 227 Ca 0.02 -0.17 -0.33 0.00 -2.23 0.00 0.00 60.65 57.95 3i2e s ILE 227 Cb -0.22 -2.93 -0.13 0.00 -1.58 0.00 0.00 42.46 37.60 3i2e s ILE 227 CO 0.03 0.57 1.53 -2.65 -1.23 0.00 0.00 174.94 173.19 3i2e n PRO 228 N 2.51 2.18 -0.99 2.79 -0.02 -1.26 0.24 135.00 140.45 3i2e n PRO 228 Ca -0.18 0.78 0.00 0.00 -2.02 0.00 0.00 63.50 62.08 3i2e n PRO 228 Cb 0.53 -2.52 0.00 0.00 -0.02 0.00 0.00 33.50 31.50 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 2.89 -4.27 0.00 2.55 3.02 -1.26 -4.70 115.26 113.50 3i2e n ASN 229 Ca 0.14 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.69 3i2e n ASN 229 Cb 0.31 -1.99 0.00 0.00 -0.61 0.00 0.00 39.78 37.49 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 -1.02 0.36 0.00 3.52 5.02 -0.55 -5.13 118.16 120.36 3i2e n LYS 230 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 3i2e n LYS 230 Cb 0.24 -0.70 0.00 0.00 -0.02 0.00 0.00 35.03 34.55 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 2.13 0.40 3.67 0.72 0.00 0.14 -4.85 105.19 107.40 3i2e n GLY 231 Ca 0.00 -0.92 -0.42 0.00 0.00 0.00 0.00 46.02 44.68 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 1.63 -0.02 1.61 3.76 -1.26 -1.52 115.29 119.49 3i2e s HIS 232 Ca 0.00 -0.27 0.03 0.00 -0.15 0.00 0.00 55.06 54.67 3i2e s HIS 232 Cb 0.00 -4.21 -0.00 0.00 1.11 0.00 0.00 32.58 29.48 3i2e s HIS 232 CO 0.00 -5.25 -0.11 0.08 -0.85 0.00 0.00 174.74 168.61 3i2e s VAL 233 N 3.80 0.88 -0.08 -0.90 1.01 0.71 0.29 120.40 126.11 3i2e s VAL 233 Ca 0.85 -0.45 -0.03 0.00 0.00 0.00 0.00 61.98 62.35 3i2e s VAL 233 Cb -0.44 -0.76 0.05 0.00 0.00 0.00 0.00 36.38 35.23 3i2e s VAL 233 CO 0.39 0.26 0.17 -0.22 0.00 0.00 0.00 175.10 175.71 3i2e s LEU 234 N -0.04 0.30 -0.22 3.92 0.20 -0.41 -0.39 118.68 122.03 3i2e s LEU 234 Ca 0.01 0.37 -0.15 0.00 0.69 0.00 0.00 54.13 55.04 3i2e s LEU 234 Cb -0.07 0.41 -0.04 0.00 -0.43 0.00 0.00 46.19 46.06 3i2e s LEU 234 CO 0.00 -0.19 0.35 -0.76 -0.29 0.00 0.00 176.35 175.46 3i2e s LEU 235 N 1.71 4.12 0.15 -0.68 1.02 0.23 -1.02 118.68 124.21 3i2e s LEU 235 Ca -0.04 0.40 0.02 0.00 0.02 0.00 0.00 54.13 54.54 3i2e s LEU 235 Cb -0.12 -2.43 -0.04 0.00 0.02 0.00 0.00 46.19 43.62 3i2e s LEU 235 CO -0.06 -0.08 -0.04 -1.38 0.02 0.00 0.00 176.35 174.81 3i2e s HIS 236 N 1.44 1.16 0.64 0.29 -3.43 -0.85 -1.44 115.29 113.09 3i2e s HIS 236 Ca 0.16 -0.93 -0.18 0.00 -0.80 0.00 0.00 55.06 53.32 3i2e s HIS 236 Cb -0.15 -0.65 -0.01 0.00 -1.43 0.00 0.00 32.58 30.35 3i2e s HIS 236 CO 0.08 -0.12 1.23 1.03 -2.00 0.00 0.00 174.74 174.96 3i2e s ARG 237 N -3.85 2.66 0.74 -0.38 1.81 -1.26 -0.49 118.95 118.18 3i2e s ARG 237 Ca 0.19 1.87 -0.11 0.00 -1.72 0.00 0.00 55.73 55.96 3i2e s ARG 237 Cb 0.05 -1.88 0.03 0.00 -0.45 0.00 0.00 34.95 32.70 3i2e s ARG 237 CO 0.01 -1.46 1.08 0.95 -0.68 0.00 0.00 175.30 175.20 3i2e s THR 238 N -1.64 3.55 0.41 0.02 -4.23 -1.25 -4.71 115.64 107.78 3i2e s THR 238 Ca 0.78 0.50 0.08 0.00 -1.18 0.00 0.00 61.69 61.87 3i2e s THR 238 Cb -0.32 -3.31 0.23 0.00 1.34 0.00 0.00 72.50 70.45 3i2e s THR 238 CO 0.38 -0.66 2.02 -0.65 -0.54 0.00 0.00 174.62 175.17 3i2e h PRO 239 N -0.85 0.44 -0.55 3.99 0.11 -1.93 0.12 132.00 133.34 3i2e h PRO 239 Ca -0.45 -0.05 -0.10 0.00 0.11 0.00 0.00 66.00 65.51 3i2e h PRO 239 Cb 1.24 -0.09 -0.02 0.00 0.11 0.00 0.00 31.00 32.24 3i2e h PRO 239 CO 0.60 0.35 -0.05 1.49 -0.21 0.00 0.00 178.00 180.18 3i2e h GLU 240 N 0.45 0.98 0.02 1.05 4.81 -1.97 -0.91 114.58 119.01 3i2e h GLU 240 Ca 0.11 -0.32 -0.00 0.00 -0.13 0.00 0.00 59.36 59.02 3i2e h GLU 240 Cb 0.06 -0.08 0.00 0.00 0.63 0.00 0.00 28.75 29.36 3i2e h GLU 240 CO -0.02 0.99 -0.01 0.93 -0.73 0.00 0.00 179.01 180.18 3i2e h GLU 241 N 0.89 -0.03 -2.30 1.92 5.08 -1.72 -3.42 114.58 115.00 3i2e h GLU 241 Ca 0.15 0.00 -0.56 0.00 -1.00 0.00 0.00 59.36 57.96 3i2e h GLU 241 Cb 0.59 0.01 -0.37 0.00 0.50 0.00 0.00 28.75 29.48 3i2e h GLU 241 CO 0.04 0.72 -0.93 0.71 -1.00 0.00 0.00 179.01 178.55 3i2e s TYR 242 N -2.75 0.84 0.21 4.33 1.51 0.33 -5.01 117.35 116.82 3i2e s TYR 242 Ca -0.16 -2.10 -0.10 0.00 -1.01 0.00 0.00 57.07 53.71 3i2e s TYR 242 Cb -0.01 -0.83 0.19 0.00 -0.11 0.00 0.00 41.96 41.20 3i2e s TYR 242 CO 0.61 -0.86 1.85 -1.00 -1.11 0.00 0.00 175.55 175.04 3i2e h PRO 243 N 5.82 0.86 0.00 -1.71 0.13 -1.32 0.88 132.00 136.66 3i2e h PRO 243 Ca 0.22 -0.05 -0.05 0.00 -0.87 0.00 0.00 66.00 65.25 3i2e h PRO 243 Cb 0.93 -0.19 -0.01 0.00 0.13 0.00 0.00 31.00 31.86 3i2e h PRO 243 CO 0.33 0.57 -0.26 0.93 -0.23 0.00 0.00 178.00 179.34 3i2e h GLU 244 N 0.89 0.00 0.16 0.86 4.39 -1.95 -2.01 114.58 116.92 3i2e h GLU 244 Ca 0.29 0.00 -0.34 0.00 0.34 0.00 0.00 59.36 59.65 3i2e h GLU 244 Cb 0.01 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.66 3i2e h GLU 244 CO -0.11 0.26 -1.68 0.77 -1.16 0.00 0.00 179.01 177.10 3i2e h SER 245 N 0.00 0.53 -0.65 1.42 0.02 -1.83 -3.32 113.55 109.71 3i2e h SER 245 Ca -0.00 -0.78 0.01 0.00 -0.84 0.00 0.00 61.79 60.18 3i2e h SER 245 Cb 0.57 -0.17 -0.03 0.00 0.14 0.00 0.00 62.40 62.90 3i2e h SER 245 CO 0.03 1.65 0.43 0.00 -1.14 0.00 0.00 176.83 177.81 3i2e h ALA 246 N 0.27 1.54 -0.72 3.77 0.00 -0.64 -1.15 119.26 122.33 3i2e h ALA 246 Ca -0.31 -0.04 0.07 0.00 0.00 0.00 0.00 54.91 54.62 3i2e h ALA 246 Cb 2.07 -0.26 -0.05 0.00 0.00 0.00 0.00 17.79 19.55 3i2e h ALA 246 CO 0.17 0.42 0.48 0.87 0.00 0.00 0.00 179.25 181.18 3i2e h LYS 247 N 0.88 0.73 -0.26 0.00 1.57 -1.46 -1.22 116.57 116.81 3i2e h LYS 247 Ca 0.24 -0.04 -0.07 0.00 -1.87 0.00 0.00 60.65 58.90 3i2e h LYS 247 Cb -0.08 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 32.06 3i2e h LYS 247 CO -0.05 0.48 -0.13 0.28 -0.57 0.00 0.00 179.45 179.46 3i2e h VAL 248 N 0.75 1.30 0.00 0.50 2.07 -1.32 -3.01 116.25 116.54 3i2e h VAL 248 Ca 0.31 -1.21 -0.05 0.00 0.82 0.00 0.00 66.70 66.57 3i2e h VAL 248 Cb 0.27 1.54 -0.01 0.00 -1.52 0.00 0.00 31.29 31.56 3i2e h VAL 248 CO -0.10 0.38 -0.25 1.88 0.02 0.00 0.00 177.57 179.49 3i2e h TYR 249 N 0.27 0.00 0.00 1.57 -1.99 -1.17 -2.32 116.97 113.34 3i2e h TYR 249 Ca 0.06 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.79 3i2e h TYR 249 Cb 0.63 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.36 3i2e h TYR 249 CO 0.06 0.25 0.00 0.93 -0.00 0.00 0.00 178.16 179.41 3i2e h GLU 250 N 0.00 0.00 -0.00 4.88 4.39 -1.10 -1.53 114.58 121.22 3i2e h GLU 250 Ca -0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 3i2e h GLU 250 Cb 0.46 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.11 3i2e h GLU 250 CO 0.03 0.00 -0.03 1.63 -1.16 0.00 0.00 179.01 179.49 3i2e n LYS 251 N -2.68 0.84 -2.86 2.33 5.02 -0.87 -4.45 118.16 115.48 3i2e n LYS 251 Ca -0.02 -0.15 -0.44 0.00 -2.02 0.00 0.00 58.31 55.69 3i2e n LYS 251 Cb 0.09 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.60 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 -0.95 5.24 0.30 -0.35 4.77 -0.58 -4.84 117.00 120.59 3i2e n LEU 252 Ca 0.19 -4.38 0.20 0.00 -0.03 0.00 0.00 56.01 51.99 3i2e n LEU 252 Cb 0.21 -1.63 1.05 0.00 -2.33 0.00 0.00 43.42 40.71 3i2e n LEU 252 CO 0.21 0.67 1.11 0.11 -1.33 0.00 0.00 177.39 178.15 3i2e h LYS 253 N 7.13 0.00 -0.18 3.23 1.79 -1.87 -2.47 116.57 124.21 3i2e h LYS 253 Ca 0.34 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.81 3i2e h LYS 253 Cb 0.86 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.51 3i2e h LYS 253 CO 1.30 0.00 0.00 -0.25 -1.08 0.00 0.00 179.45 179.42 3i2e n ASP 254 N -2.96 3.13 -4.84 0.86 8.00 -1.26 -4.94 116.55 114.53 3i2e n ASP 254 Ca -0.02 -1.97 -0.34 0.00 0.71 0.00 0.00 54.79 53.18 3i2e n ASP 254 Cb 0.11 -0.10 -0.06 0.00 -0.02 0.00 0.00 41.12 41.05 3i2e n ASP 254 CO 0.00 0.00 0.00 -1.00 -0.39 0.00 0.00 177.20 175.81 3i2e s HIS 255 N -1.71 3.43 -0.63 1.24 3.76 -0.93 -4.36 115.29 116.09 3i2e s HIS 255 Ca 0.31 0.31 -0.23 0.00 -0.15 0.00 0.00 55.06 55.30 3i2e s HIS 255 Cb 0.20 -1.80 0.06 0.00 1.11 0.00 0.00 32.58 32.15 3i2e s HIS 255 CO 0.29 0.61 0.97 1.41 -0.85 0.00 0.00 174.74 177.18 3i2e s MET 256 N -1.71 3.19 0.03 1.40 1.75 0.14 -4.93 119.30 119.17 3i2e s MET 256 Ca 0.23 -0.61 -0.27 0.00 -1.25 0.00 0.00 55.69 53.80 3i2e s MET 256 Cb -0.12 -4.16 -0.05 0.00 2.84 0.00 0.00 34.83 33.34 3i2e s MET 256 CO 0.14 -1.72 0.86 -0.51 -0.65 0.00 0.00 175.02 173.15 3i2e s LEU 257 N 4.12 4.42 -0.24 4.11 1.43 -1.26 -1.29 118.68 129.96 3i2e s LEU 257 Ca 0.26 1.55 -0.01 0.00 -1.03 0.00 0.00 54.13 54.89 3i2e s LEU 257 Cb -0.15 -3.39 0.07 0.00 0.03 0.00 0.00 46.19 42.75 3i2e s LEU 257 CO 0.13 -0.10 0.03 -0.63 0.23 0.00 0.00 176.35 176.01 3i2e s ILE 258 N 0.40 0.92 -0.00 -0.59 1.01 -0.19 -4.96 121.20 117.78 3i2e s ILE 258 Ca 0.44 -1.00 -0.30 0.00 0.00 0.00 0.00 60.65 59.79 3i2e s ILE 258 Cb -0.21 -1.44 -0.05 0.00 0.01 0.00 0.00 42.46 40.77 3i2e s ILE 258 CO 0.25 -0.32 1.33 -2.16 0.00 0.00 0.00 174.94 174.04 3i2e s PRO 259 N 1.65 4.32 -0.10 2.79 0.04 -1.26 -2.01 135.00 140.43 3i2e s PRO 259 Ca 0.01 1.88 0.01 0.00 0.04 0.00 0.00 61.00 62.93 3i2e s PRO 259 Cb -0.18 -3.53 0.02 0.00 0.04 0.00 0.00 34.50 30.86 3i2e s PRO 259 CO -0.12 -0.50 -0.10 0.08 0.04 0.00 0.00 177.00 176.39 3i2e s VAL 260 N 2.15 1.12 0.28 -0.36 1.01 0.36 -4.90 120.40 120.05 3i2e s VAL 260 Ca 0.61 -0.40 -0.18 0.00 0.00 0.00 0.00 61.98 62.02 3i2e s VAL 260 Cb -0.30 -1.08 -0.09 0.00 0.00 0.00 0.00 36.38 34.91 3i2e s VAL 260 CO 0.26 0.37 0.74 -0.55 0.00 0.00 0.00 175.10 175.92 3i2e s SER 261 N 1.27 6.92 0.00 3.32 0.15 -1.26 -3.95 113.70 120.15 3i2e s SER 261 Ca -0.03 1.37 0.15 0.00 0.70 0.00 0.00 55.95 58.14 3i2e s SER 261 Cb -0.14 -2.40 0.25 0.00 -1.71 0.00 0.00 66.02 62.02 3i2e s SER 261 CO -0.04 -0.10 1.07 0.23 1.20 0.00 0.00 173.24 175.61 3i2e n MET 262 N 0.15 0.00 -0.34 5.44 2.81 -1.26 -4.85 117.12 119.07 3i2e n MET 262 Ca 0.01 -1.53 0.12 0.00 -1.81 0.00 0.00 57.70 54.48 3i2e n MET 262 Cb 0.52 -0.02 0.30 0.00 -0.71 0.00 0.00 33.22 33.31 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 0.73 0.17 7.83 4.64 -1.93 -0.48 113.55 125.09 3i2e h SER 263 Ca -0.22 0.10 -0.01 0.00 -0.47 0.00 0.00 61.79 61.18 3i2e h SER 263 Cb 1.67 -0.03 0.00 0.00 -0.31 0.00 0.00 62.40 63.74 3i2e h SER 263 CO 0.01 0.26 -0.08 -0.33 -0.87 0.00 0.00 176.83 175.82 3i2e h GLU 264 N 0.73 -0.22 0.00 4.77 4.39 -1.93 -3.29 114.58 119.04 3i2e h GLU 264 Ca 0.55 0.02 0.00 0.00 0.34 0.00 0.00 59.36 60.27 3i2e h GLU 264 Cb 0.84 0.05 0.00 0.00 -0.10 0.00 0.00 28.75 29.54 3i2e h GLU 264 CO -0.38 0.09 0.00 -0.07 -1.16 0.00 0.00 179.01 177.49 3i2e h LEU 265 N -0.98 0.00 -1.89 1.33 3.38 -1.80 0.54 115.31 115.88 3i2e h LEU 265 Ca -0.02 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.92 3i2e h LEU 265 Cb 0.42 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.16 3i2e h LEU 265 CO 0.04 0.00 -0.13 -0.08 0.09 0.00 0.00 178.44 178.36 3i2e h GLU 266 N 0.00 0.00 0.00 1.13 4.81 -1.06 0.31 114.58 119.77 3i2e h GLU 266 Ca 0.00 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.22 3i2e h GLU 266 Cb 0.01 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.39 3i2e h GLU 266 CO 0.00 0.13 -0.05 0.87 -0.73 0.00 0.00 179.01 179.23 3i2e h LYS 267 N 0.00 0.00 -0.26 1.92 1.57 -1.00 -1.10 116.57 117.70 3i2e h LYS 267 Ca -0.00 0.00 -0.12 0.00 -1.87 0.00 0.00 60.65 58.66 3i2e h LYS 267 Cb 0.29 0.00 -0.07 0.00 0.08 0.00 0.00 32.23 32.53 3i2e h LYS 267 CO 0.02 0.05 -0.15 1.33 -0.57 0.00 0.00 179.45 180.13 3i2e n VAL 268 N -3.45 2.43 -1.71 0.50 0.24 -0.47 -4.85 118.33 111.03 3i2e n VAL 268 Ca -0.02 -2.74 -0.14 0.00 -2.04 0.00 0.00 64.34 59.40 3i2e n VAL 268 Cb 0.17 -0.30 -0.04 0.00 -1.47 0.00 0.00 33.84 32.21 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 -1.08 -4.63 -4.46 -1.34 8.00 -0.41 -4.74 116.55 107.89 3i2e n ASP 269 Ca 0.29 0.23 -0.44 0.00 0.71 0.00 0.00 54.79 55.58 3i2e n ASP 269 Cb 0.94 -3.53 -0.06 0.00 -0.02 0.00 0.00 41.12 38.45 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 -2.68 1.71 0.10 0.44 0.00 0.96 -4.95 107.32 102.90 3i2e s GLY 270 Ca 0.00 -1.63 0.01 0.00 0.00 0.00 0.00 44.72 43.10 3i2e s GLY 270 CO 0.00 1.57 0.14 1.04 0.00 0.00 0.00 173.10 175.85 3i2e n LEU 271 N 6.38 0.00 0.18 0.66 4.77 -1.26 -3.25 117.00 124.48 3i2e n LEU 271 Ca -0.05 -0.40 -0.14 0.00 -0.03 0.00 0.00 56.01 55.38 3i2e n LEU 271 Cb 0.46 -0.08 -0.08 0.00 -2.33 0.00 0.00 43.42 41.39 3i2e n LEU 271 CO 0.55 -0.55 0.71 -0.07 -1.33 0.00 0.00 177.39 176.71 3i2e h LEU 272 N 0.00 -0.35 -1.63 2.23 3.38 -1.94 -3.13 115.31 113.88 3i2e h LEU 272 Ca -0.05 -0.06 -0.04 0.00 0.09 0.00 0.00 57.88 57.83 3i2e h LEU 272 Cb 0.21 0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.04 3i2e h LEU 272 CO 0.06 -0.17 -0.16 0.71 0.09 0.00 0.00 178.44 178.98 3i2e h THR 273 N -0.52 1.13 -0.17 0.22 1.35 -1.86 -2.99 112.91 110.07 3i2e h THR 273 Ca -0.04 -0.60 0.04 0.00 -0.55 0.00 0.00 66.41 65.26 3i2e h THR 273 Cb 0.39 1.29 -0.01 0.00 -1.73 0.00 0.00 68.15 68.09 3i2e h THR 273 CO 0.07 0.17 0.12 0.00 -0.25 0.00 0.00 175.52 175.63 3i2e s SER 276 N -1.01 -0.47 -0.15 0.00 1.04 -1.13 -4.56 113.70 107.42 3i2e s SER 276 Ca 0.17 0.03 0.02 0.00 0.48 0.00 0.00 55.95 56.65 3i2e s SER 276 Cb 0.09 0.54 0.02 0.00 0.10 0.00 0.00 66.02 66.76 3i2e s SER 276 CO 0.12 -0.85 -0.19 -0.69 0.98 0.00 0.00 173.24 172.61 3i2e s VAL 277 N -3.21 1.88 -0.15 5.02 1.01 -0.40 -4.19 120.40 120.37 3i2e s VAL 277 Ca -0.01 -0.85 -0.09 0.00 0.00 0.00 0.00 61.98 61.02 3i2e s VAL 277 Cb -0.00 -1.70 -0.05 0.00 0.00 0.00 0.00 36.38 34.64 3i2e s VAL 277 CO -0.08 0.51 0.16 -0.76 0.00 0.00 0.00 175.10 174.93 3i2e s LEU 278 N 1.09 4.31 0.02 3.92 1.43 -1.26 -0.50 118.68 127.69 3i2e s LEU 278 Ca -0.02 0.40 0.04 0.00 -1.03 0.00 0.00 54.13 53.52 3i2e s LEU 278 Cb -0.14 -2.12 -0.02 0.00 0.03 0.00 0.00 46.19 43.94 3i2e s LEU 278 CO -0.06 0.29 -0.12 -0.63 0.23 0.00 0.00 176.35 176.06 3i2e s ILE 279 N -0.37 0.95 -0.42 -0.59 1.09 -0.34 -4.80 121.20 116.71 3i2e s ILE 279 Ca 0.13 -0.81 0.00 0.00 -1.10 0.00 0.00 60.65 58.87 3i2e s ILE 279 Cb -0.12 -0.85 0.11 0.00 -1.06 0.00 0.00 42.46 40.54 3i2e s ILE 279 CO 0.02 0.04 0.18 0.21 -0.10 0.00 0.00 174.94 175.29 3i2e s ASN 280 N -0.87 4.98 -0.39 3.58 2.47 -1.26 0.24 114.94 123.70 3i2e s ASN 280 Ca 0.01 -2.26 -0.14 0.00 0.42 0.00 0.00 52.86 50.89 3i2e s ASN 280 Cb -0.07 -1.74 0.01 0.00 -1.45 0.00 0.00 41.25 38.00 3i2e s ASN 280 CO 0.01 -0.44 0.28 -0.75 -3.72 0.00 0.00 177.10 172.48 3i2e s LYS 281 N 0.79 3.16 0.00 0.43 2.20 -1.26 -4.84 119.74 120.22 3i2e s LYS 281 Ca 0.11 -0.87 0.25 0.00 -0.36 0.00 0.00 55.97 55.10 3i2e s LYS 281 Cb -0.21 -3.92 0.49 0.00 -1.51 0.00 0.00 37.83 32.67 3i2e s LYS 281 CO -0.05 -0.64 1.43 1.63 -0.36 0.00 0.00 175.35 177.35