#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2x30 n SER 2 N 0.00 0.00 -4.52 6.12 3.41 -1.26 -4.89 113.62 112.47 2x30 n SER 2 Ca 0.00 0.00 -0.43 0.00 -0.26 0.00 0.00 58.87 58.18 2x30 n SER 2 Cb 0.00 -1.46 -0.07 0.00 -0.26 0.00 0.00 64.21 62.42 2x30 n SER 2 CO 0.00 0.00 0.00 -0.75 -0.16 0.00 0.00 175.04 174.13 2x30 s LYS 3 N -0.03 3.33 -0.12 4.33 2.20 -1.26 -4.70 119.74 123.49 2x30 s LYS 3 Ca 0.00 -0.33 -0.29 0.00 -0.36 0.00 0.00 55.97 54.99 2x30 s LYS 3 Cb 0.00 -3.93 -0.01 0.00 -1.51 0.00 0.00 37.83 32.38 2x30 s LYS 3 CO 0.00 -0.96 1.01 -1.17 -0.36 0.00 0.00 175.35 173.87 2x30 s LEU 4 N 2.77 4.23 0.26 5.43 2.96 -0.70 -4.93 118.68 128.70 2x30 s LEU 4 Ca 0.22 1.52 -0.30 0.00 -0.22 0.00 0.00 54.13 55.36 2x30 s LEU 4 Cb -0.14 -3.55 -0.09 0.00 0.50 0.00 0.00 46.19 42.90 2x30 s LEU 4 CO 0.18 -0.47 1.20 -1.61 -1.32 0.00 0.00 176.35 174.34 2x30 s GLU 5 N 2.12 4.50 -0.18 1.98 2.02 -0.43 -4.80 118.70 123.91 2x30 s GLU 5 Ca 0.48 1.95 -0.04 0.00 0.02 0.00 0.00 54.97 57.38 2x30 s GLU 5 Cb -0.18 -3.18 -0.02 0.00 0.10 0.00 0.00 34.13 30.85 2x30 s GLU 5 CO 0.17 -0.02 -0.03 -0.51 0.02 0.00 0.00 175.26 174.88 2x30 s LEU 6 N -1.03 3.14 -0.53 1.80 1.43 -1.26 -0.92 118.68 121.32 2x30 s LEU 6 Ca 0.49 -0.22 0.04 0.00 -1.03 0.00 0.00 54.13 53.41 2x30 s LEU 6 Cb -0.35 -1.78 0.13 0.00 0.03 0.00 0.00 46.19 44.23 2x30 s LEU 6 CO 0.42 0.09 0.27 -0.76 0.23 0.00 0.00 176.35 176.61 2x30 s LEU 7 N 0.82 4.32 0.20 1.79 1.02 -0.53 -3.93 118.68 122.37 2x30 s LEU 7 Ca -0.01 -3.07 -0.33 0.00 0.02 0.00 0.00 54.13 50.75 2x30 s LEU 7 Cb -0.14 -1.63 -0.13 0.00 0.02 0.00 0.00 46.19 44.31 2x30 s LEU 7 CO 0.02 -0.22 1.62 -2.65 0.02 0.00 0.00 176.35 175.13 2x30 n PRO 8 N 3.03 2.42 -3.58 1.29 -0.02 -1.25 -1.54 135.00 135.35 2x30 n PRO 8 Ca 0.06 0.87 -0.37 0.00 -2.02 0.00 0.00 63.50 62.04 2x30 n PRO 8 Cb 0.32 -2.66 -0.06 0.00 -0.02 0.00 0.00 33.50 31.08 2x30 n PRO 8 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2x30 s ALA 9 N 0.84 3.69 -0.30 3.55 0.00 0.14 -0.76 121.76 128.91 2x30 s ALA 9 Ca 0.75 -0.38 0.03 0.00 0.00 0.00 0.00 51.96 52.36 2x30 s ALA 9 Cb -0.60 -2.32 0.08 0.00 0.00 0.00 0.00 23.12 20.29 2x30 s ALA 9 CO 0.38 0.35 -0.02 0.08 0.00 0.00 0.00 175.76 176.55 2x30 s VAL 10 N -0.45 2.07 -0.26 0.00 1.01 0.12 -4.80 120.40 118.09 2x30 s VAL 10 Ca 0.20 -1.91 -0.12 0.00 0.00 0.00 0.00 61.98 60.15 2x30 s VAL 10 Cb -0.14 -2.38 -0.05 0.00 0.00 0.00 0.00 36.38 33.81 2x30 s VAL 10 CO 0.08 -0.34 0.21 -1.81 0.00 0.00 0.00 175.10 173.24 2x30 s ASP 11 N 1.07 6.11 -0.21 3.32 1.11 -1.26 -0.30 116.67 126.51 2x30 s ASP 11 Ca 0.02 0.11 -0.06 0.00 0.18 0.00 0.00 52.55 52.80 2x30 s ASP 11 Cb -0.19 -2.13 -0.03 0.00 1.07 0.00 0.00 42.92 41.64 2x30 s ASP 11 CO -0.08 -0.02 0.03 -0.69 1.18 0.00 0.00 175.17 175.59 2x30 s VAL 12 N 1.49 4.15 -0.01 -1.27 1.01 0.29 -1.07 120.40 124.98 2x30 s VAL 12 Ca 0.09 -0.24 0.01 0.00 0.00 0.00 0.00 61.98 61.83 2x30 s VAL 12 Cb -0.15 -2.90 0.01 0.00 0.00 0.00 0.00 36.38 33.35 2x30 s VAL 12 CO 0.08 0.40 -0.01 -0.60 0.00 0.00 0.00 175.10 174.97 2x30 s ARG 13 N 1.14 0.23 -1.59 2.72 3.52 -0.08 -0.60 118.95 124.29 2x30 s ARG 13 Ca 0.03 -0.00 -0.14 0.00 -0.13 0.00 0.00 55.73 55.49 2x30 s ARG 13 Cb -0.14 -0.32 0.11 0.00 -1.56 0.00 0.00 34.95 33.03 2x30 s ARG 13 CO 0.02 -0.04 0.82 -3.47 -0.81 0.00 0.00 175.30 171.82 2x30 n ASP 14 N 3.57 -3.43 -0.24 -2.12 2.03 -1.26 -0.94 116.55 114.16 2x30 n ASP 14 Ca -0.20 -0.92 -0.03 0.00 0.52 0.00 0.00 54.79 54.17 2x30 n ASP 14 Cb 0.55 -3.27 -0.01 0.00 -0.72 0.00 0.00 41.12 37.66 2x30 n ASP 14 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2x30 n GLY 15 N -1.59 0.60 3.34 0.27 0.00 -1.26 -5.01 105.19 101.54 2x30 n GLY 15 Ca 0.00 -0.35 -0.20 0.00 0.00 0.00 0.00 46.02 45.47 2x30 n GLY 15 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2x30 s GLN 16 N -1.55 1.29 -0.08 1.61 -0.21 -0.12 -4.54 119.66 116.06 2x30 s GLN 16 Ca 0.00 -1.48 -0.28 0.00 0.02 0.00 0.00 55.36 53.62 2x30 s GLN 16 Cb 0.00 -1.23 -0.02 0.00 1.00 0.00 0.00 33.01 32.76 2x30 s GLN 16 CO 0.00 0.23 0.92 0.00 -2.12 0.00 0.00 175.29 174.32 2x30 s ALA 17 N -2.45 3.35 0.28 6.09 0.00 0.50 -0.91 121.76 128.63 2x30 s ALA 17 Ca 0.18 0.31 0.04 0.00 0.00 0.00 0.00 51.96 52.49 2x30 s ALA 17 Cb -0.04 -3.29 -0.06 0.00 0.00 0.00 0.00 23.12 19.73 2x30 s ALA 17 CO 0.07 -0.44 0.03 0.14 0.00 0.00 0.00 175.76 175.56 2x30 s VAL 18 N 1.59 1.15 -0.25 0.00 -7.23 -0.23 0.19 120.40 115.61 2x30 s VAL 18 Ca 0.46 -2.03 -0.11 0.00 -1.81 0.00 0.00 61.98 58.48 2x30 s VAL 18 Cb -0.19 -2.60 -0.05 0.00 0.56 0.00 0.00 36.38 34.11 2x30 s VAL 18 CO 0.19 -0.14 0.20 -0.60 -0.31 0.00 0.00 175.10 174.44 2x30 s ARG 19 N -3.87 4.05 -0.89 4.82 3.52 0.74 -4.53 118.95 122.79 2x30 s ARG 19 Ca 0.33 -0.22 -0.08 0.00 -0.13 0.00 0.00 55.73 55.62 2x30 s ARG 19 Cb 0.07 -3.57 0.23 0.00 -1.56 0.00 0.00 34.95 30.12 2x30 s ARG 19 CO 0.13 -0.02 0.82 -0.48 -0.81 0.00 0.00 175.30 174.94 2x30 s LEU 20 N 1.28 6.17 -0.19 -0.88 0.05 -1.26 -3.61 118.68 120.23 2x30 s LEU 20 Ca 0.09 -3.19 -0.35 0.00 0.05 0.00 0.00 54.13 50.73 2x30 s LEU 20 Cb -0.14 -2.10 -0.12 0.00 -2.05 0.00 0.00 46.19 41.78 2x30 s LEU 20 CO 0.06 -0.38 1.95 0.52 -0.55 0.00 0.00 176.35 177.95 2x30 n VAL 21 N 3.20 0.43 -3.34 1.48 0.31 -1.26 -4.70 118.33 114.45 2x30 n VAL 21 Ca 0.17 -0.15 0.02 0.00 -0.01 0.00 0.00 64.34 64.37 2x30 n VAL 21 Cb 0.41 -1.75 -0.00 0.00 -0.91 0.00 0.00 33.84 31.59 2x30 n VAL 21 CO 0.00 0.00 0.00 1.41 -1.32 0.00 0.00 176.83 176.92 2x30 n HIS 22 N 7.45 -1.92 -2.32 3.52 8.25 -1.26 -3.77 115.22 125.17 2x30 n HIS 22 Ca 0.28 0.17 -0.41 0.00 -0.26 0.00 0.00 57.72 57.50 2x30 n HIS 22 Cb 0.26 -0.13 -0.01 0.00 1.12 0.00 0.00 29.99 31.23 2x30 n HIS 22 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2x30 n GLY 23 N -0.42 2.80 3.26 -1.41 0.00 -1.26 -4.90 105.19 103.26 2x30 n GLY 23 Ca 0.00 -1.41 -0.10 0.00 0.00 0.00 0.00 46.02 44.51 2x30 n GLY 23 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2x30 s GLU 24 N 4.27 0.96 -0.01 1.61 2.12 -1.25 -5.16 118.70 121.25 2x30 s GLU 24 Ca 0.54 -0.85 0.07 0.00 0.36 0.00 0.00 54.97 55.10 2x30 s GLU 24 Cb 0.06 0.41 -0.02 0.00 0.26 0.00 0.00 34.13 34.83 2x30 s GLU 24 CO 0.05 -0.35 -0.23 0.45 -0.54 0.00 0.00 175.26 174.65 2x30 s SER 25 N -2.84 2.71 0.00 -1.70 0.15 -1.26 -4.78 113.70 105.98 2x30 s SER 25 Ca 0.04 -0.44 0.00 0.00 0.70 0.00 0.00 55.95 56.25 2x30 s SER 25 Cb 0.03 -0.29 0.00 0.00 -1.71 0.00 0.00 66.02 64.05 2x30 s SER 25 CO -0.11 0.27 0.00 0.61 1.20 0.00 0.00 173.24 175.21 2x30 n GLY 26 N 2.38 0.75 2.02 9.45 0.00 -1.26 -4.92 105.19 113.62 2x30 n GLY 26 Ca -0.16 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.72 2x30 n GLY 26 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2x30 n THR 27 N -2.27 2.86 -2.83 2.61 -2.24 -1.26 -4.99 114.28 106.16 2x30 n THR 27 Ca 0.00 -1.61 -0.43 0.00 -2.27 0.00 0.00 64.05 59.75 2x30 n THR 27 Cb 0.00 -0.47 -0.04 0.00 -2.10 0.00 0.00 70.33 67.72 2x30 n THR 27 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 2x30 s GLU 28 N -2.87 3.73 0.12 -0.78 2.02 -1.25 -4.32 118.70 115.35 2x30 s GLU 28 Ca 0.51 0.40 -0.25 0.00 0.02 0.00 0.00 54.97 55.65 2x30 s GLU 28 Cb 0.42 -3.84 -0.07 0.00 0.10 0.00 0.00 34.13 30.73 2x30 s GLU 28 CO 0.11 -1.02 0.78 0.99 0.02 0.00 0.00 175.26 176.14 2x30 s THR 29 N 3.51 4.49 -0.15 3.63 2.01 -1.24 -4.87 115.64 123.02 2x30 s THR 29 Ca 0.37 1.70 -0.13 0.00 0.31 0.00 0.00 61.69 63.94 2x30 s THR 29 Cb -0.11 -4.14 -0.05 0.00 0.01 0.00 0.00 72.50 68.21 2x30 s THR 29 CO 0.21 0.46 0.28 -0.55 -0.69 0.00 0.00 174.62 174.32 2x30 s SER 30 N -0.72 6.43 -0.22 3.53 0.15 -1.26 -0.18 113.70 121.42 2x30 s SER 30 Ca 0.37 0.50 0.15 0.00 0.70 0.00 0.00 55.95 57.67 2x30 s SER 30 Cb -0.22 -2.17 0.67 0.00 -1.71 0.00 0.00 66.02 62.58 2x30 s SER 30 CO 0.25 0.13 1.59 -1.22 1.20 0.00 0.00 173.24 175.20 2x30 n TYR 31 N 3.40 1.55 -3.35 3.44 4.01 0.50 -4.97 117.16 121.74 2x30 n TYR 31 Ca -0.13 -0.89 0.00 0.00 -0.16 0.00 0.00 57.90 56.73 2x30 n TYR 31 Cb 0.52 -0.44 0.00 0.00 -0.31 0.00 0.00 39.34 39.11 2x30 n TYR 31 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2x30 n GLY 32 N -0.07 -0.25 3.71 2.72 0.00 -1.24 -4.79 105.19 105.26 2x30 n GLY 32 Ca 0.26 -1.21 -0.42 0.00 0.00 0.00 0.00 46.02 44.65 2x30 n GLY 32 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2x30 s SER 33 N -4.00 6.52 0.25 1.61 0.15 -1.26 -0.37 113.70 116.60 2x30 s SER 33 Ca 0.00 2.67 -0.03 0.00 0.70 0.00 0.00 55.95 59.29 2x30 s SER 33 Cb 0.00 -2.58 0.31 0.00 -1.71 0.00 0.00 66.02 62.03 2x30 s SER 33 CO 0.00 -0.90 1.74 -0.65 1.20 0.00 0.00 173.24 174.64 2x30 h PRO 34 N 7.38 0.81 -0.53 5.44 0.11 -1.86 -2.47 132.00 140.89 2x30 h PRO 34 Ca -0.43 -0.23 -0.05 0.00 0.11 0.00 0.00 66.00 65.41 2x30 h PRO 34 Cb 1.20 -0.09 -0.02 0.00 0.11 0.00 0.00 31.00 32.20 2x30 h PRO 34 CO 0.93 0.82 0.15 1.25 -0.21 0.00 0.00 178.00 180.95 2x30 h LEU 35 N 0.76 0.78 -0.81 2.35 5.85 -1.94 -1.71 115.31 120.59 2x30 h LEU 35 Ca 0.14 -0.22 -0.10 0.00 0.84 0.00 0.00 57.88 58.55 2x30 h LEU 35 Cb 0.47 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 41.28 2x30 h LEU 35 CO 0.02 0.79 -0.13 -0.33 -0.34 0.00 0.00 178.44 178.46 2x30 h GLU 36 N 0.74 0.76 -0.30 1.25 4.39 -1.96 -1.56 114.58 117.90 2x30 h GLU 36 Ca 0.17 -0.26 -0.01 0.00 0.34 0.00 0.00 59.36 59.60 2x30 h GLU 36 Cb 0.30 -0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 28.88 2x30 h GLU 36 CO -0.00 0.85 0.14 0.00 -1.16 0.00 0.00 179.01 178.85 2x30 h ALA 37 N 1.17 0.38 -0.46 3.43 0.00 -1.29 -1.07 119.26 121.42 2x30 h ALA 37 Ca 0.11 -0.09 -0.09 0.00 0.00 0.00 0.00 54.91 54.84 2x30 h ALA 37 Cb 0.61 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.26 2x30 h ALA 37 CO 0.04 -0.06 -0.09 0.00 0.00 0.00 0.00 179.25 179.14 2x30 h ALA 38 N 1.00 0.97 -0.37 0.00 0.00 -1.21 -2.03 119.26 117.62 2x30 h ALA 38 Ca 0.10 -0.31 -0.12 0.00 0.00 0.00 0.00 54.91 54.58 2x30 h ALA 38 Cb 0.11 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 2x30 h ALA 38 CO -0.01 0.61 -0.24 -0.07 0.00 0.00 0.00 179.25 179.54 2x30 h LEU 39 N 0.75 0.77 -0.52 0.00 3.38 -1.18 -1.56 115.31 116.94 2x30 h LEU 39 Ca 0.13 -0.28 0.03 0.00 0.09 0.00 0.00 57.88 57.85 2x30 h LEU 39 Cb 0.58 -0.21 -0.04 0.00 0.09 0.00 0.00 40.66 41.08 2x30 h LEU 39 CO 0.04 0.98 0.29 0.00 0.09 0.00 0.00 178.44 179.84 2x30 h ALA 40 N 1.08 0.66 -0.05 1.53 0.00 -0.97 0.12 119.26 121.63 2x30 h ALA 40 Ca 0.09 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 2x30 h ALA 40 Cb 0.75 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.42 2x30 h ALA 40 CO 0.06 -0.03 0.00 -1.49 0.00 0.00 0.00 179.25 177.80 2x30 h TRP 41 N 0.57 0.10 -0.18 0.00 -0.00 -1.19 -2.14 115.95 113.12 2x30 h TRP 41 Ca 0.22 -0.02 0.04 0.00 -0.00 0.00 0.00 58.89 59.13 2x30 h TRP 41 Cb 0.07 -0.03 -0.04 0.00 -0.00 0.00 0.00 29.16 29.16 2x30 h TRP 41 CO -0.08 0.35 -0.08 0.37 -0.00 0.00 0.00 178.44 179.00 2x30 h GLN 42 N -0.18 -0.06 -0.83 0.49 4.15 -1.27 -1.73 115.11 115.68 2x30 h GLN 42 Ca 0.02 0.00 0.13 0.00 0.77 0.00 0.00 58.65 59.57 2x30 h GLN 42 Cb 0.31 0.01 -0.06 0.00 0.21 0.00 0.00 27.48 27.95 2x30 h GLN 42 CO 0.00 -0.04 0.54 -0.09 -1.93 0.00 0.00 178.83 177.31 2x30 h ARG 43 N -0.06 0.62 -0.07 1.69 2.43 -0.71 0.46 114.38 118.74 2x30 h ARG 43 Ca 0.10 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.23 2x30 h ARG 43 Cb 0.20 -0.14 0.00 0.00 -0.42 0.00 0.00 29.97 29.61 2x30 h ARG 43 CO -0.22 0.41 0.00 0.43 -1.51 0.00 0.00 179.97 179.08 2x30 n SER 44 N -4.52 0.64 0.00 -3.80 7.64 -0.81 -4.88 113.62 107.88 2x30 n SER 44 Ca 0.15 -1.55 0.00 0.00 1.01 0.00 0.00 58.87 58.48 2x30 n SER 44 Cb 0.44 -0.04 0.00 0.00 -1.01 0.00 0.00 64.21 63.60 2x30 n SER 44 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2x30 n GLY 45 N 0.91 1.24 3.77 0.23 0.00 0.15 -4.46 105.19 107.03 2x30 n GLY 45 Ca 0.14 -0.40 -0.40 0.00 0.00 0.00 0.00 46.02 45.37 2x30 n GLY 45 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2x30 s ALA 46 N -2.00 3.34 -0.06 4.61 0.00 -0.71 -4.93 121.76 122.01 2x30 s ALA 46 Ca 0.00 1.18 0.13 0.00 0.00 0.00 0.00 51.96 53.27 2x30 s ALA 46 Cb 0.00 -3.45 -0.17 0.00 0.00 0.00 0.00 23.12 19.49 2x30 s ALA 46 CO 0.00 -0.66 0.86 0.93 0.00 0.00 0.00 175.76 176.89 2x30 h GLU 47 N 2.99 0.00 -5.30 0.00 5.08 -1.91 -3.44 114.58 112.00 2x30 h GLU 47 Ca -0.49 0.00 -0.40 0.00 -1.00 0.00 0.00 59.36 57.47 2x30 h GLU 47 Cb 1.23 0.00 -0.19 0.00 0.50 0.00 0.00 28.75 30.29 2x30 h GLU 47 CO 0.64 0.49 -0.76 -1.58 -1.00 0.00 0.00 179.01 176.80 2x30 s TRP 48 N -2.75 1.27 -0.10 4.33 0.52 -1.25 -2.34 118.94 118.62 2x30 s TRP 48 Ca -0.03 -0.54 0.01 0.00 0.02 0.00 0.00 56.10 55.56 2x30 s TRP 48 Cb 0.08 -0.69 0.02 0.00 -1.15 0.00 0.00 33.47 31.74 2x30 s TRP 48 CO 0.81 0.09 -0.10 -1.17 0.02 0.00 0.00 176.95 176.60 2x30 s LEU 49 N -2.21 1.39 -0.45 2.99 2.96 0.08 -3.96 118.68 119.48 2x30 s LEU 49 Ca 0.04 -0.32 -0.17 0.00 -0.22 0.00 0.00 54.13 53.46 2x30 s LEU 49 Cb -0.06 -0.87 0.04 0.00 0.50 0.00 0.00 46.19 45.80 2x30 s LEU 49 CO 0.02 -0.06 0.47 -2.28 -1.32 0.00 0.00 176.35 173.18 2x30 s HIS 50 N 1.32 3.16 -0.19 5.38 5.65 0.06 -0.65 115.29 130.02 2x30 s HIS 50 Ca -0.02 -0.52 -0.03 0.00 0.25 0.00 0.00 55.06 54.74 2x30 s HIS 50 Cb -0.14 -3.08 -0.01 0.00 -1.18 0.00 0.00 32.58 28.17 2x30 s HIS 50 CO -0.04 -0.79 -0.05 -1.17 -0.65 0.00 0.00 174.74 172.03 2x30 s LEU 51 N 2.14 2.97 -0.06 8.88 2.96 0.12 0.14 118.68 135.83 2x30 s LEU 51 Ca 0.11 -0.31 0.03 0.00 -0.22 0.00 0.00 54.13 53.74 2x30 s LEU 51 Cb -0.19 -1.73 0.01 0.00 0.50 0.00 0.00 46.19 44.78 2x30 s LEU 51 CO 0.12 0.06 -0.13 -0.69 -1.32 0.00 0.00 176.35 174.39 2x30 s VAL 52 N 1.01 1.18 -0.72 1.68 1.01 0.59 -1.38 120.40 123.78 2x30 s VAL 52 Ca 0.00 -0.52 -0.18 0.00 0.00 0.00 0.00 61.98 61.28 2x30 s VAL 52 Cb -0.15 -1.07 0.13 0.00 0.00 0.00 0.00 36.38 35.29 2x30 s VAL 52 CO 0.00 0.36 0.84 -0.62 0.00 0.00 0.00 175.10 175.68 2x30 s ASP 53 N 0.52 6.38 0.27 3.32 -1.08 -0.63 0.11 116.67 125.56 2x30 s ASP 53 Ca -0.12 -1.74 0.03 0.00 -0.52 0.00 0.00 52.55 50.20 2x30 s ASP 53 Cb -0.15 -2.32 0.38 0.00 -1.46 0.00 0.00 42.92 39.37 2x30 s ASP 53 CO 0.03 -1.05 1.67 -0.07 0.52 0.00 0.00 175.17 176.28 2x30 h LEU 54 N 9.86 0.40 -0.57 -1.34 3.38 -1.18 -2.07 115.31 123.78 2x30 h LEU 54 Ca -0.12 -0.16 0.00 0.00 0.09 0.00 0.00 57.88 57.69 2x30 h LEU 54 Cb 1.06 -0.11 -0.03 0.00 0.09 0.00 0.00 40.66 41.67 2x30 h LEU 54 CO 1.06 0.74 0.37 0.44 0.09 0.00 0.00 178.44 181.14 2x30 h ASP 55 N 0.32 0.66 -0.38 -0.43 3.32 -1.86 0.35 116.42 118.40 2x30 h ASP 55 Ca 0.03 -0.03 -0.12 0.00 0.02 0.00 0.00 57.03 56.93 2x30 h ASP 55 Cb 0.81 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 40.18 2x30 h ASP 55 CO 0.06 0.49 -0.21 0.00 -1.72 0.00 0.00 179.24 177.87 2x30 h ALA 56 N 1.20 0.80 -0.54 3.45 0.00 -1.46 0.18 119.26 122.89 2x30 h ALA 56 Ca 0.21 -0.38 -0.02 0.00 0.00 0.00 0.00 54.91 54.72 2x30 h ALA 56 Cb -0.07 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.53 2x30 h ALA 56 CO -0.04 0.65 0.26 0.00 0.00 0.00 0.00 179.25 180.12 2x30 h ALA 57 N 0.99 0.69 -0.01 0.00 0.00 -0.92 -3.12 119.26 116.88 2x30 h ALA 57 Ca 0.10 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.89 2x30 h ALA 57 Cb 0.76 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.33 2x30 h ALA 57 CO 0.06 0.25 -0.18 1.19 0.00 0.00 0.00 179.25 180.58 2x30 n PHE 58 N -4.58 0.00 -2.32 0.00 3.72 0.12 -4.76 117.46 109.64 2x30 n PHE 58 Ca 0.03 0.00 -0.09 0.00 -0.05 0.00 0.00 57.45 57.33 2x30 n PHE 58 Cb 0.12 -0.06 0.00 0.00 -0.94 0.00 0.00 39.48 38.60 2x30 n PHE 58 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2x30 n GLY 59 N 1.30 0.05 2.49 1.37 0.00 0.46 -4.95 105.19 105.91 2x30 n GLY 59 Ca 0.14 -0.46 -0.30 0.00 0.00 0.00 0.00 46.02 45.40 2x30 n GLY 59 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2x30 n THR 60 N -3.93 2.81 0.00 2.61 -2.24 -0.14 -5.03 114.28 108.37 2x30 n THR 60 Ca -0.09 -4.46 0.00 0.00 -2.27 0.00 0.00 64.05 57.23 2x30 n THR 60 Cb 0.57 -1.23 0.00 0.00 -2.10 0.00 0.00 70.33 67.57 2x30 n THR 60 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2x30 n GLY 61 N -0.58 0.49 3.61 3.38 0.00 -1.23 -4.82 105.19 106.03 2x30 n GLY 61 Ca 0.46 -1.78 -0.06 0.00 0.00 0.00 0.00 46.02 44.64 2x30 n GLY 61 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 2x30 s ASP 62 N -4.00 -0.29 -0.32 1.61 1.47 -1.26 -2.73 116.67 111.15 2x30 s ASP 62 Ca 0.00 -0.18 0.12 0.00 1.18 0.00 0.00 52.55 53.67 2x30 s ASP 62 Cb 0.00 0.43 0.46 0.00 -0.34 0.00 0.00 42.92 43.47 2x30 s ASP 62 CO 0.00 -0.75 1.12 0.59 0.68 0.00 0.00 175.17 176.81 2x30 n ASN 63 N -0.35 3.59 -0.26 2.11 3.02 -1.26 -4.93 115.26 117.19 2x30 n ASN 63 Ca -0.08 -3.19 -0.06 0.00 -0.03 0.00 0.00 54.58 51.22 2x30 n ASN 63 Cb 0.61 -0.43 0.05 0.00 -0.61 0.00 0.00 39.78 39.41 2x30 n ASN 63 CO 0.00 0.00 0.00 -0.09 -2.62 0.00 0.00 177.26 174.55 2x30 h ARG 64 N 2.50 1.01 -0.07 3.52 2.43 -1.99 -0.23 114.38 121.55 2x30 h ARG 64 Ca 0.17 -0.13 -0.18 0.00 -0.81 0.00 0.00 59.98 59.02 2x30 h ARG 64 Cb 1.28 -0.19 -0.01 0.00 -0.42 0.00 0.00 29.97 30.63 2x30 h ARG 64 CO 0.61 0.78 -0.72 0.00 -1.51 0.00 0.00 179.97 179.12 2x30 h ALA 65 N 1.18 0.62 -0.20 2.80 0.00 -1.99 -2.11 119.26 119.56 2x30 h ALA 65 Ca 0.25 -0.61 -0.02 0.00 0.00 0.00 0.00 54.91 54.53 2x30 h ALA 65 Cb 0.08 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 2x30 h ALA 65 CO -0.04 0.77 0.06 1.25 0.00 0.00 0.00 179.25 181.29 2x30 h LEU 66 N 0.26 0.29 -1.03 0.00 6.46 -1.90 -1.67 115.31 117.72 2x30 h LEU 66 Ca -0.03 -0.21 0.04 0.00 -0.12 0.00 0.00 57.88 57.56 2x30 h LEU 66 Cb 1.29 -0.08 -0.06 0.00 -0.73 0.00 0.00 40.66 41.09 2x30 h LEU 66 CO 0.12 0.43 0.65 0.40 -0.62 0.00 0.00 178.44 179.42 2x30 h ILE 67 N 0.14 1.15 -0.48 4.05 1.08 -1.07 0.07 117.51 122.46 2x30 h ILE 67 Ca 0.06 -0.42 -0.09 0.00 -0.39 0.00 0.00 64.86 64.02 2x30 h ILE 67 Cb 0.25 -0.19 -0.02 0.00 -3.07 0.00 0.00 36.82 33.79 2x30 h ILE 67 CO -0.00 0.23 -0.07 0.00 -0.69 0.00 0.00 178.15 177.62 2x30 h ALA 68 N 1.43 0.98 -0.24 1.87 0.00 -1.29 -0.12 119.26 121.89 2x30 h ALA 68 Ca 0.40 -0.31 -0.07 0.00 0.00 0.00 0.00 54.91 54.93 2x30 h ALA 68 Cb 0.04 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 2x30 h ALA 68 CO -0.13 0.61 -0.13 1.49 0.00 0.00 0.00 179.25 181.09 2x30 h GLU 69 N 0.77 0.52 0.23 0.00 4.81 -0.30 -1.67 114.58 118.94 2x30 h GLU 69 Ca 0.14 -0.23 -0.00 0.00 -0.13 0.00 0.00 59.36 59.13 2x30 h GLU 69 Cb 0.56 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.92 2x30 h GLU 69 CO 0.03 0.79 -0.15 0.28 -0.73 0.00 0.00 179.01 179.23 2x30 h VAL 70 N 0.24 0.67 -0.83 0.32 2.07 -0.92 -2.55 116.25 115.25 2x30 h VAL 70 Ca 0.05 0.00 0.18 0.00 0.82 0.00 0.00 66.70 67.75 2x30 h VAL 70 Cb 0.64 0.67 -0.11 0.00 -1.52 0.00 0.00 31.29 30.97 2x30 h VAL 70 CO 0.04 0.00 0.34 0.00 0.02 0.00 0.00 177.57 177.97 2x30 h ALA 71 N 0.38 1.24 -0.15 1.67 0.00 -1.02 -1.17 119.26 120.19 2x30 h ALA 71 Ca -0.02 0.14 -0.04 0.00 0.00 0.00 0.00 54.91 54.99 2x30 h ALA 71 Cb 0.32 0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 2x30 h ALA 71 CO 0.01 -0.26 -0.09 0.37 0.00 0.00 0.00 179.25 179.27 2x30 h GLN 72 N 0.43 0.23 0.00 0.00 -0.00 -1.09 -2.85 115.11 111.83 2x30 h GLN 72 Ca 0.48 -0.05 0.00 0.00 -0.00 0.00 0.00 58.65 59.09 2x30 h GLN 72 Cb 0.82 -0.04 0.00 0.00 0.00 0.00 0.00 27.48 28.27 2x30 h GLN 72 CO -0.47 0.34 0.00 0.00 0.00 0.00 0.00 178.83 178.71 2x30 n ALA 73 N -2.49 2.01 -2.66 3.38 0.00 -0.45 -4.83 120.51 115.47 2x30 n ALA 73 Ca -0.01 -0.07 -0.38 0.00 0.00 0.00 0.00 53.44 52.98 2x30 n ALA 73 Cb 0.24 -1.36 -0.06 0.00 0.00 0.00 0.00 19.45 18.27 2x30 n ALA 73 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 2x30 s MET 74 N -3.01 4.30 0.00 0.00 -1.94 -1.08 -4.95 119.30 112.61 2x30 s MET 74 Ca 0.10 0.51 0.27 0.00 -1.71 0.00 0.00 55.69 54.87 2x30 s MET 74 Cb 0.14 -3.40 0.76 0.00 2.01 0.00 0.00 34.83 34.35 2x30 s MET 74 CO 0.41 0.25 1.58 -0.25 -0.01 0.00 0.00 175.02 177.00 2x30 n ASP 75 N 3.32 1.87 -4.87 3.03 8.00 -1.26 -4.98 116.55 121.66 2x30 n ASP 75 Ca -0.07 -1.58 -0.26 0.00 0.71 0.00 0.00 54.79 53.58 2x30 n ASP 75 Cb 0.52 0.03 -0.02 0.00 -0.02 0.00 0.00 41.12 41.62 2x30 n ASP 75 CO 0.00 0.00 0.00 0.27 -0.39 0.00 0.00 177.20 177.08 2x30 s ILE 76 N -2.06 1.74 0.29 0.53 -4.36 -1.26 -5.10 121.20 110.98 2x30 s ILE 76 Ca 0.34 -1.56 -0.29 0.00 -0.26 0.00 0.00 60.65 58.88 2x30 s ILE 76 Cb 0.20 -2.29 -0.10 0.00 1.25 0.00 0.00 42.46 41.53 2x30 s ILE 76 CO 0.35 0.00 1.25 -0.54 0.24 0.00 0.00 174.94 176.24 2x30 s LYS 77 N -4.19 4.45 -0.07 0.37 1.02 -0.99 -4.91 119.74 115.42 2x30 s LYS 77 Ca 0.33 2.07 0.03 0.00 0.02 0.00 0.00 55.97 58.41 2x30 s LYS 77 Cb -0.01 -3.13 0.01 0.00 -0.52 0.00 0.00 37.83 34.18 2x30 s LYS 77 CO 0.20 -0.08 -0.15 0.08 -0.92 0.00 0.00 175.35 174.48 2x30 s VAL 78 N -0.93 1.33 -0.19 3.17 1.01 -1.26 -0.74 120.40 122.79 2x30 s VAL 78 Ca 0.49 -0.60 -0.03 0.00 0.00 0.00 0.00 61.98 61.84 2x30 s VAL 78 Cb -0.37 -1.19 -0.01 0.00 0.00 0.00 0.00 36.38 34.81 2x30 s VAL 78 CO 0.47 0.40 -0.07 -0.70 0.00 0.00 0.00 175.10 175.20 2x30 s GLU 79 N 0.57 3.41 -0.01 2.72 2.12 0.17 -0.45 118.70 127.23 2x30 s GLU 79 Ca -0.15 -0.63 0.03 0.00 0.36 0.00 0.00 54.97 54.58 2x30 s GLU 79 Cb -0.16 -2.89 -0.03 0.00 0.26 0.00 0.00 34.13 31.31 2x30 s GLU 79 CO 0.05 -0.03 -0.10 -0.51 -0.54 0.00 0.00 175.26 174.14 2x30 s LEU 80 N 1.02 3.02 0.06 2.70 1.02 -0.48 0.12 118.68 126.13 2x30 s LEU 80 Ca -0.00 -0.17 -0.11 0.00 0.02 0.00 0.00 54.13 53.87 2x30 s LEU 80 Cb -0.15 -1.71 0.01 0.00 0.02 0.00 0.00 46.19 44.37 2x30 s LEU 80 CO -0.00 0.31 0.25 -0.55 0.02 0.00 0.00 176.35 176.37 2x30 s SER 81 N -1.19 -0.02 0.00 2.29 0.15 -0.48 -0.31 113.70 114.14 2x30 s SER 81 Ca 0.15 -0.36 0.00 0.00 0.70 0.00 0.00 55.95 56.43 2x30 s SER 81 Cb -0.11 0.34 0.00 0.00 -1.71 0.00 0.00 66.02 64.54 2x30 s SER 81 CO 0.05 -0.64 0.00 0.61 1.20 0.00 0.00 173.24 174.46 2x30 n GLY 82 N 0.42 2.51 2.41 9.45 0.00 -1.26 -1.60 105.19 117.11 2x30 n GLY 82 Ca -0.18 -0.66 -0.05 0.00 0.00 0.00 0.00 46.02 45.13 2x30 n GLY 82 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2x30 n GLY 83 N 0.00 0.71 3.56 -0.02 0.00 -1.26 -4.29 105.19 103.89 2x30 n GLY 83 Ca 0.00 -0.27 -0.39 0.00 0.00 0.00 0.00 46.02 45.36 2x30 n GLY 83 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2x30 s ILE 84 N -1.93 3.79 0.00 -0.61 1.01 -1.26 -4.66 121.20 117.53 2x30 s ILE 84 Ca 0.00 -0.35 0.00 0.00 0.00 0.00 0.00 60.65 60.30 2x30 s ILE 84 Cb 0.00 -4.85 0.00 0.00 0.01 0.00 0.00 42.46 37.62 2x30 s ILE 84 CO 0.00 -1.76 0.25 0.54 0.00 0.00 0.00 174.94 173.97 2x30 n ARG 85 N 9.03 -0.49 -3.94 2.79 1.74 -1.26 -4.65 116.66 119.88 2x30 n ARG 85 Ca 0.25 -0.25 -0.11 0.00 -0.77 0.00 0.00 57.85 56.97 2x30 n ARG 85 Cb 0.50 -0.75 -0.01 0.00 -1.02 0.00 0.00 32.46 31.18 2x30 n ARG 85 CO 0.00 0.00 0.00 0.16 -1.52 0.00 0.00 177.63 176.27 2x30 s ASP 86 N -0.00 0.37 0.22 0.55 1.47 -1.26 -4.94 116.67 113.08 2x30 s ASP 86 Ca 0.00 -1.25 -0.09 0.00 1.18 0.00 0.00 52.55 52.39 2x30 s ASP 86 Cb 0.00 0.75 0.19 0.00 -0.34 0.00 0.00 42.92 43.52 2x30 s ASP 86 CO 0.00 -1.48 1.89 0.44 0.68 0.00 0.00 175.17 176.70 2x30 h ASP 87 N 2.06 0.98 -0.20 2.11 3.32 -1.98 -0.79 116.42 121.91 2x30 h ASP 87 Ca -0.30 -0.04 -0.16 0.00 0.02 0.00 0.00 57.03 56.56 2x30 h ASP 87 Cb 1.25 -0.25 0.00 0.00 0.22 0.00 0.00 39.33 40.55 2x30 h ASP 87 CO 0.39 0.73 -0.49 0.44 -1.72 0.00 0.00 179.24 178.59 2x30 h ASP 88 N 1.15 0.78 -0.51 6.45 3.32 -1.99 0.18 116.42 125.80 2x30 h ASP 88 Ca 0.31 -0.57 -0.06 0.00 0.02 0.00 0.00 57.03 56.73 2x30 h ASP 88 Cb -0.10 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 39.20 2x30 h ASP 88 CO -0.06 1.21 0.06 0.71 -1.72 0.00 0.00 179.24 179.44 2x30 h THR 89 N 0.39 1.25 -0.65 0.35 1.35 -1.93 -2.34 112.91 111.33 2x30 h THR 89 Ca -0.00 -0.97 0.01 0.00 -0.55 0.00 0.00 66.41 64.90 2x30 h THR 89 Cb 1.10 0.90 -0.04 0.00 -1.73 0.00 0.00 68.15 68.38 2x30 h THR 89 CO 0.11 0.35 0.42 0.25 -0.25 0.00 0.00 175.52 176.40 2x30 h LEU 90 N 0.73 0.72 -0.55 3.87 5.85 -1.03 -1.75 115.31 123.15 2x30 h LEU 90 Ca 0.15 -0.01 -0.02 0.00 0.84 0.00 0.00 57.88 58.84 2x30 h LEU 90 Cb 0.43 -0.17 -0.03 0.00 0.37 0.00 0.00 40.66 41.26 2x30 h LEU 90 CO 0.01 0.51 0.28 0.00 -0.34 0.00 0.00 178.44 178.91 2x30 h ALA 91 N 1.26 0.71 -0.37 1.25 0.00 -0.54 -0.55 119.26 121.02 2x30 h ALA 91 Ca 0.25 -0.11 -0.05 0.00 0.00 0.00 0.00 54.91 54.99 2x30 h ALA 91 Cb -0.06 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.50 2x30 h ALA 91 CO -0.07 0.25 0.03 0.00 0.00 0.00 0.00 179.25 179.46 2x30 h ALA 92 N 1.12 0.49 0.04 0.00 0.00 -1.32 -1.45 119.26 118.14 2x30 h ALA 92 Ca 0.19 -0.23 0.02 0.00 0.00 0.00 0.00 54.91 54.88 2x30 h ALA 92 Cb 0.09 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 2x30 h ALA 92 CO -0.03 0.24 -0.12 0.00 0.00 0.00 0.00 179.25 179.33 2x30 h ALA 93 N 0.89 -0.18 -0.32 0.00 0.00 -1.02 -2.83 119.26 115.79 2x30 h ALA 93 Ca 0.11 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.99 2x30 h ALA 93 Cb 0.42 0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.40 2x30 h ALA 93 CO 0.01 -0.63 0.09 -0.07 0.00 0.00 0.00 179.25 178.65 2x30 h LEU 94 N -0.23 0.42 -2.34 0.00 3.38 -1.02 -2.17 115.31 113.35 2x30 h LEU 94 Ca 0.03 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 57.95 2x30 h LEU 94 Cb 0.27 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 40.91 2x30 h LEU 94 CO -0.09 0.42 0.00 0.00 0.09 0.00 0.00 178.44 178.85 2x30 h ALA 95 N 1.65 1.00 0.00 1.53 0.00 -1.03 -1.15 119.26 121.26 2x30 h ALA 95 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.02 2x30 h ALA 95 Cb 0.16 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.95 2x30 h ALA 95 CO -0.01 0.00 0.00 1.79 0.00 0.00 0.00 179.25 181.03 2x30 h THR 96 N 0.00 0.00 0.00 0.00 1.35 -1.22 -3.45 112.91 109.59 2x30 h THR 96 Ca 0.00 -0.04 0.00 0.00 -0.55 0.00 0.00 66.41 65.82 2x30 h THR 96 Cb 0.13 0.64 0.00 0.00 -1.73 0.00 0.00 68.15 67.18 2x30 h THR 96 CO 0.00 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.88 2x30 n GLY 97 N -1.06 0.46 3.71 5.82 0.00 -0.43 -4.71 105.19 108.98 2x30 n GLY 97 Ca -0.01 -0.39 -0.33 0.00 0.00 0.00 0.00 46.02 45.29 2x30 n GLY 97 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2x30 h THR 99 N -0.83 1.29 -3.14 0.00 2.02 -1.13 -3.47 112.91 107.64 2x30 h THR 99 Ca -0.46 -2.02 -0.01 0.00 0.77 0.00 0.00 66.41 64.69 2x30 h THR 99 Cb 1.29 2.04 -0.10 0.00 -1.74 0.00 0.00 68.15 69.63 2x30 h THR 99 CO 0.47 0.64 0.13 0.00 0.37 0.00 0.00 175.52 177.12 2x30 s ARG 100 N -3.69 1.38 0.32 6.66 1.70 -1.11 -4.36 118.95 119.85 2x30 s ARG 100 Ca -0.10 -0.71 0.10 0.00 -0.47 0.00 0.00 55.73 54.55 2x30 s ARG 100 Cb 0.09 0.56 -0.05 0.00 -0.57 0.00 0.00 34.95 34.97 2x30 s ARG 100 CO 0.90 -0.60 -0.03 0.14 -1.08 0.00 0.00 175.30 174.64 2x30 s VAL 101 N -3.82 2.72 -0.14 4.99 -7.23 0.15 -1.38 120.40 115.68 2x30 s VAL 101 Ca 0.06 -2.04 -0.01 0.00 -1.81 0.00 0.00 61.98 58.18 2x30 s VAL 101 Cb -0.02 -2.73 -0.02 0.00 0.56 0.00 0.00 36.38 34.18 2x30 s VAL 101 CO -0.06 -0.26 -0.10 0.20 -0.31 0.00 0.00 175.10 174.57 2x30 s ASN 102 N -3.67 4.28 -0.10 4.85 0.02 0.57 -1.27 114.94 119.62 2x30 s ASN 102 Ca 0.33 -0.26 -0.03 0.00 -1.02 0.00 0.00 52.86 51.88 2x30 s ASN 102 Cb -0.02 -1.67 -0.04 0.00 0.02 0.00 0.00 41.25 39.55 2x30 s ASN 102 CO 0.19 0.16 0.04 -0.76 0.02 0.00 0.00 177.10 176.75 2x30 s LEU 103 N 0.38 3.81 0.00 0.60 1.43 -0.26 -4.33 118.68 120.31 2x30 s LEU 103 Ca -0.08 0.23 0.00 0.00 -1.03 0.00 0.00 54.13 53.25 2x30 s LEU 103 Cb -0.15 -1.89 0.00 0.00 0.03 0.00 0.00 46.19 44.17 2x30 s LEU 103 CO 0.05 0.38 0.00 0.61 0.23 0.00 0.00 176.35 177.62 2x30 n GLY 104 N 2.14 0.15 0.30 -3.19 0.00 -1.26 -0.29 105.19 103.04 2x30 n GLY 104 Ca -0.19 0.00 0.10 0.00 0.00 0.00 0.00 46.02 45.93 2x30 n GLY 104 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 2x30 h THR 105 N 0.00 0.38 -0.85 2.61 2.02 -1.88 -1.35 112.91 113.84 2x30 h THR 105 Ca 0.00 -0.08 0.17 0.00 0.77 0.00 0.00 66.41 67.27 2x30 h THR 105 Cb 0.00 0.13 -0.06 0.00 -1.74 0.00 0.00 68.15 66.48 2x30 h THR 105 CO 0.00 0.04 0.56 0.00 0.37 0.00 0.00 175.52 176.49 2x30 h ALA 106 N 1.72 2.07 -0.17 6.16 0.00 -1.89 0.15 119.26 127.30 2x30 h ALA 106 Ca 0.50 0.01 -0.07 0.00 0.00 0.00 0.00 54.91 55.35 2x30 h ALA 106 Cb 0.95 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.67 2x30 h ALA 106 CO -0.61 -0.32 -0.21 0.00 0.00 0.00 0.00 179.25 178.11 2x30 h ALA 107 N 1.62 1.34 0.13 0.00 0.00 -1.50 0.13 119.26 120.98 2x30 h ALA 107 Ca 0.43 -0.28 -0.32 0.00 0.00 0.00 0.00 54.91 54.75 2x30 h ALA 107 Cb 0.95 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.64 2x30 h ALA 107 CO -0.17 0.45 -1.60 -0.07 0.00 0.00 0.00 179.25 177.86 2x30 h LEU 108 N 0.27 0.44 0.14 0.00 3.38 -1.24 -3.35 115.31 114.94 2x30 h LEU 108 Ca 0.05 -0.63 -0.35 0.00 0.09 0.00 0.00 57.88 57.03 2x30 h LEU 108 Cb 0.53 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.13 2x30 h LEU 108 CO 0.04 1.53 -1.88 -0.33 0.09 0.00 0.00 178.44 177.89 2x30 h GLU 109 N 0.08 0.30 -2.35 1.13 5.08 -0.68 -3.42 114.58 114.70 2x30 h GLU 109 Ca -0.27 -0.51 -0.59 0.00 -1.00 0.00 0.00 59.36 56.99 2x30 h GLU 109 Cb 2.04 0.19 -0.40 0.00 0.50 0.00 0.00 28.75 31.08 2x30 h GLU 109 CO 0.16 1.25 -0.87 0.25 -1.00 0.00 0.00 179.01 178.79 2x30 n THR 110 N -3.56 0.13 -0.11 1.13 -2.24 0.45 -4.96 114.28 105.12 2x30 n THR 110 Ca -0.29 -4.21 0.09 0.00 -2.27 0.00 0.00 64.05 57.37 2x30 n THR 110 Cb 1.04 -1.93 0.44 0.00 -2.10 0.00 0.00 70.33 67.78 2x30 n THR 110 CO 0.00 0.00 0.00 -0.65 -0.57 0.00 0.00 175.07 173.85 2x30 h PRO 111 N 4.81 0.54 -0.24 -0.78 0.11 -1.70 -1.99 132.00 132.75 2x30 h PRO 111 Ca 0.17 -0.03 -0.11 0.00 0.11 0.00 0.00 66.00 66.14 2x30 h PRO 111 Cb 0.83 -0.12 -0.01 0.00 0.11 0.00 0.00 31.00 31.80 2x30 h PRO 111 CO 0.55 0.36 -0.31 0.93 -0.21 0.00 0.00 178.00 179.32 2x30 h GLU 112 N 0.55 0.48 -0.15 1.05 3.07 -1.92 0.10 114.58 117.76 2x30 h GLU 112 Ca 0.28 -0.20 -0.08 0.00 -0.50 0.00 0.00 59.36 58.85 2x30 h GLU 112 Cb 0.37 -0.02 -0.00 0.00 -0.84 0.00 0.00 28.75 28.26 2x30 h GLU 112 CO -0.08 0.74 -0.23 2.35 -1.40 0.00 0.00 179.01 180.39 2x30 h TRP 113 N 0.42 0.52 -0.45 4.33 7.01 -1.73 -1.07 115.95 124.98 2x30 h TRP 113 Ca 0.05 -0.18 0.04 0.00 2.11 0.00 0.00 58.89 60.92 2x30 h TRP 113 Cb 0.75 -0.10 -0.04 0.00 -2.10 0.00 0.00 29.16 27.66 2x30 h TRP 113 CO 0.02 0.85 0.21 0.28 -2.79 0.00 0.00 178.44 177.02 2x30 h VAL 114 N 0.05 0.94 -0.46 2.65 2.07 -1.28 -0.12 116.25 120.10 2x30 h VAL 114 Ca 0.01 -0.15 0.07 0.00 0.82 0.00 0.00 66.70 67.46 2x30 h VAL 114 Cb 0.80 0.48 -0.06 0.00 -1.52 0.00 0.00 31.29 30.98 2x30 h VAL 114 CO 0.05 0.08 0.09 0.00 0.02 0.00 0.00 177.57 177.81 2x30 h ALA 115 N 1.25 0.50 -0.21 1.67 0.00 -0.67 -0.85 119.26 120.96 2x30 h ALA 115 Ca 0.20 0.09 -0.01 0.00 0.00 0.00 0.00 54.91 55.19 2x30 h ALA 115 Cb 0.13 0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 2x30 h ALA 115 CO -0.15 -0.31 0.08 -0.22 0.00 0.00 0.00 179.25 178.64 2x30 h LYS 116 N 0.22 0.31 -0.15 0.00 3.64 -0.64 -2.17 116.57 117.78 2x30 h LYS 116 Ca 0.23 -0.06 -0.11 0.00 -1.27 0.00 0.00 60.65 59.43 2x30 h LYS 116 Cb 0.29 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 32.05 2x30 h LYS 116 CO -0.30 0.38 -0.40 -0.39 -2.27 0.00 0.00 179.45 176.47 2x30 h VAL 117 N 0.18 1.31 -0.45 2.00 -1.51 -0.72 -1.43 116.25 115.63 2x30 h VAL 117 Ca 0.07 -1.53 0.00 0.00 -1.23 0.00 0.00 66.70 64.02 2x30 h VAL 117 Cb 0.18 1.64 -0.02 0.00 -2.13 0.00 0.00 31.29 30.96 2x30 h VAL 117 CO -0.01 0.46 0.30 0.40 -1.23 0.00 0.00 177.57 177.50 2x30 h ILE 118 N 0.28 1.12 -0.83 7.19 2.04 -1.10 0.34 117.51 126.55 2x30 h ILE 118 Ca 0.03 -0.21 0.00 0.00 1.00 0.00 0.00 64.86 65.68 2x30 h ILE 118 Cb 0.84 0.46 -0.04 0.00 -0.74 0.00 0.00 36.82 37.33 2x30 h ILE 118 CO 0.07 0.11 0.54 0.00 0.00 0.00 0.00 178.15 178.87 2x30 h ALA 119 N 1.16 1.05 0.04 1.87 0.00 -0.98 -0.83 119.26 121.58 2x30 h ALA 119 Ca 0.16 -0.07 -0.25 0.00 0.00 0.00 0.00 54.91 54.76 2x30 h ALA 119 Cb -0.07 -0.34 0.01 0.00 0.00 0.00 0.00 17.79 17.39 2x30 h ALA 119 CO -0.04 0.48 -1.04 0.93 0.00 0.00 0.00 179.25 179.58 2x30 h GLU 120 N 1.13 0.44 -0.00 0.00 5.08 -0.99 -3.39 114.58 116.85 2x30 h GLU 120 Ca 0.30 -0.52 0.00 0.00 -1.00 0.00 0.00 59.36 58.14 2x30 h GLU 120 Cb -0.11 0.16 0.00 0.00 0.50 0.00 0.00 28.75 29.30 2x30 h GLU 120 CO -0.06 1.18 -0.17 0.72 -1.00 0.00 0.00 179.01 179.68 2x30 n HIS 121 N -3.72 0.00 -1.21 4.33 8.25 0.08 -5.08 115.22 117.87 2x30 n HIS 121 Ca -0.08 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.38 2x30 n HIS 121 Cb 0.89 0.00 0.00 0.00 1.12 0.00 0.00 29.99 32.00 2x30 n HIS 121 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2x30 n GLY 122 N 0.88 3.33 0.56 -1.41 0.00 -0.32 -2.45 105.19 105.77 2x30 n GLY 122 Ca 0.02 -0.19 0.03 0.00 0.00 0.00 0.00 46.02 45.87 2x30 n GLY 122 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2x30 n ASP 123 N 4.12 1.52 0.15 1.61 5.75 -1.26 -1.56 116.55 126.89 2x30 n ASP 123 Ca 0.00 -2.10 0.13 0.00 -0.01 0.00 0.00 54.79 52.81 2x30 n ASP 123 Cb 0.00 -0.29 0.53 0.00 -1.03 0.00 0.00 41.12 40.33 2x30 n ASP 123 CO 0.00 0.00 0.00 0.11 -0.11 0.00 0.00 177.20 177.20 2x30 h LYS 124 N 1.12 0.00 -5.09 0.11 1.57 -1.68 -3.44 116.57 109.15 2x30 h LYS 124 Ca 0.00 0.00 -0.65 0.00 -1.87 0.00 0.00 60.65 58.13 2x30 h LYS 124 Cb 0.51 0.00 -0.25 0.00 0.08 0.00 0.00 32.23 32.57 2x30 h LYS 124 CO 0.05 0.00 -0.69 0.42 -0.57 0.00 0.00 179.45 178.66 2x30 s ILE 125 N -3.38 3.68 0.18 1.86 -1.09 -0.60 0.29 121.20 122.14 2x30 s ILE 125 Ca 0.03 -0.40 0.11 0.00 -2.23 0.00 0.00 60.65 58.16 2x30 s ILE 125 Cb 0.09 -2.66 -0.04 0.00 -1.58 0.00 0.00 42.46 38.27 2x30 s ILE 125 CO 0.40 0.43 -0.24 0.00 -1.23 0.00 0.00 174.94 174.30 2x30 s ALA 126 N 1.11 2.47 -0.12 9.38 0.00 -0.40 -4.17 121.76 130.04 2x30 s ALA 126 Ca 0.02 -1.60 0.01 0.00 0.00 0.00 0.00 51.96 50.39 2x30 s ALA 126 Cb -0.15 -0.33 -0.01 0.00 0.00 0.00 0.00 23.12 22.64 2x30 s ALA 126 CO 0.00 0.43 -0.15 0.08 0.00 0.00 0.00 175.76 176.13 2x30 s VAL 127 N -1.60 2.87 -0.01 0.00 1.01 -0.76 -1.11 120.40 120.81 2x30 s VAL 127 Ca 0.19 -0.73 -0.21 0.00 0.00 0.00 0.00 61.98 61.24 2x30 s VAL 127 Cb -0.08 -2.19 -0.05 0.00 0.00 0.00 0.00 36.38 34.06 2x30 s VAL 127 CO 0.09 0.53 0.60 -0.83 0.00 0.00 0.00 175.10 175.49 2x30 s GLY 128 N 0.30 2.61 -0.20 4.51 0.00 0.60 -0.96 107.32 114.19 2x30 s GLY 128 Ca -0.12 0.03 -0.02 0.00 0.00 0.00 0.00 44.72 44.62 2x30 s GLY 128 CO 0.06 0.77 -0.09 1.08 0.00 0.00 0.00 173.10 174.92 2x30 s LEU 129 N -0.15 2.69 -0.45 0.66 1.43 0.15 -4.58 118.68 118.44 2x30 s LEU 129 Ca 0.31 -0.44 -0.09 0.00 -1.03 0.00 0.00 54.13 52.89 2x30 s LEU 129 Cb -0.18 -1.66 0.10 0.00 0.03 0.00 0.00 46.19 44.48 2x30 s LEU 129 CO 0.17 0.02 0.30 -1.81 0.23 0.00 0.00 176.35 175.26 2x30 s ASP 130 N 1.25 5.65 -0.22 2.29 1.11 -1.26 -0.70 116.67 124.79 2x30 s ASP 130 Ca 0.03 -1.77 -0.08 0.00 0.18 0.00 0.00 52.55 50.91 2x30 s ASP 130 Cb -0.14 -1.99 -0.04 0.00 1.07 0.00 0.00 42.92 41.82 2x30 s ASP 130 CO -0.04 -0.63 0.10 -0.69 1.18 0.00 0.00 175.17 175.09 2x30 s VAL 131 N 1.37 4.83 -0.50 -1.27 1.01 -0.34 -1.21 120.40 124.29 2x30 s VAL 131 Ca 0.05 -0.01 -0.00 0.00 0.00 0.00 0.00 61.98 62.02 2x30 s VAL 131 Cb -0.25 -3.23 0.13 0.00 0.00 0.00 0.00 36.38 33.03 2x30 s VAL 131 CO 0.00 0.38 0.27 -0.60 0.00 0.00 0.00 175.10 175.15 2x30 s ARG 132 N 1.00 2.10 5.28 2.72 3.52 0.10 -0.07 118.95 133.60 2x30 s ARG 132 Ca 0.05 -2.26 0.00 0.00 -0.13 0.00 0.00 55.73 53.39 2x30 s ARG 132 Cb -0.14 -3.51 0.00 0.00 -1.56 0.00 0.00 34.95 29.74 2x30 s ARG 132 CO 0.03 -1.09 0.00 0.41 -0.81 0.00 0.00 175.30 173.84 2x30 n GLY 133 N 3.80 1.45 0.45 8.12 0.00 -1.26 -1.59 105.19 116.17 2x30 n GLY 133 Ca 0.04 0.09 0.04 0.00 0.00 0.00 0.00 46.02 46.19 2x30 n GLY 133 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2x30 n THR 134 N 0.00 0.75 -4.29 2.61 -2.24 -1.26 -5.01 114.28 104.84 2x30 n THR 134 Ca 0.00 -0.87 -0.35 0.00 -2.27 0.00 0.00 64.05 60.56 2x30 n THR 134 Cb 0.00 0.67 -0.09 0.00 -2.10 0.00 0.00 70.33 68.81 2x30 n THR 134 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 2x30 s THR 135 N -0.93 4.48 0.01 4.28 2.01 -0.62 -0.05 115.64 124.83 2x30 s THR 135 Ca 0.16 -0.18 -0.04 0.00 0.31 0.00 0.00 61.69 61.94 2x30 s THR 135 Cb 0.09 -2.91 -0.04 0.00 0.01 0.00 0.00 72.50 69.65 2x30 s THR 135 CO 0.12 0.59 0.23 -0.76 -0.69 0.00 0.00 174.62 174.11 2x30 s LEU 136 N -0.77 4.36 0.11 4.42 1.43 0.93 0.01 118.68 129.17 2x30 s LEU 136 Ca 0.12 0.45 0.07 0.00 -1.03 0.00 0.00 54.13 53.74 2x30 s LEU 136 Cb -0.12 -2.70 -0.03 0.00 0.03 0.00 0.00 46.19 43.37 2x30 s LEU 136 CO 0.02 0.24 -0.16 -0.13 0.23 0.00 0.00 176.35 176.55 2x30 s ARG 137 N -1.92 1.02 0.40 1.70 1.81 -0.35 -3.16 118.95 118.45 2x30 s ARG 137 Ca 0.28 -1.16 0.05 0.00 -1.72 0.00 0.00 55.73 53.19 2x30 s ARG 137 Cb -0.13 -1.06 -0.02 0.00 -0.45 0.00 0.00 34.95 33.29 2x30 s ARG 137 CO 0.18 0.23 0.19 0.41 -0.68 0.00 0.00 175.30 175.63 2x30 n GLY 138 N 0.86 3.11 1.28 -3.53 0.00 -1.26 -4.35 105.19 101.30 2x30 n GLY 138 Ca -0.18 -2.07 0.11 0.00 0.00 0.00 0.00 46.02 43.89 2x30 n GLY 138 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2x30 n ASN 139 N -1.54 3.81 -4.67 1.61 3.02 -1.26 -4.71 115.26 111.52 2x30 n ASN 139 Ca -0.02 -2.00 -0.37 0.00 -0.03 0.00 0.00 54.58 52.16 2x30 n ASN 139 Cb 0.64 -0.43 0.07 0.00 -0.61 0.00 0.00 39.78 39.45 2x30 n ASN 139 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2x30 n GLY 140 N 1.56 0.04 0.00 7.41 0.00 -1.26 -4.81 105.19 108.13 2x30 n GLY 140 Ca 0.23 -0.21 0.04 0.00 0.00 0.00 0.00 46.02 46.09 2x30 n GLY 140 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 2x30 n TRP 141 N -2.07 0.00 -3.80 1.61 7.02 -1.26 -4.15 117.44 114.78 2x30 n TRP 141 Ca 0.15 0.00 -0.27 0.00 -1.02 0.00 0.00 57.50 56.36 2x30 n TRP 141 Cb 0.48 0.00 -0.17 0.00 -2.42 0.00 0.00 31.31 29.21 2x30 n TRP 141 CO 0.00 0.00 0.00 -0.08 -2.02 0.00 0.00 177.69 175.59 2x30 s THR 142 N -2.00 0.74 -0.59 -0.99 -1.32 -1.26 -5.08 115.64 105.15 2x30 s THR 142 Ca 0.13 -0.49 -0.30 0.00 -1.21 0.00 0.00 61.69 59.82 2x30 s THR 142 Cb 0.06 -1.07 -0.12 0.00 -1.51 0.00 0.00 72.50 69.86 2x30 s THR 142 CO 0.10 -0.01 2.44 -1.14 -2.21 0.00 0.00 174.62 173.80 2x30 n ARG 143 N 4.99 0.80 -1.89 7.08 0.63 -1.26 -4.91 116.66 122.10 2x30 n ARG 143 Ca -0.10 0.09 -0.26 0.00 -0.92 0.00 0.00 57.85 56.66 2x30 n ARG 143 Cb 0.48 -2.68 0.18 0.00 0.45 0.00 0.00 32.46 30.88 2x30 n ARG 143 CO 0.00 0.00 0.00 -0.25 -2.51 0.00 0.00 177.63 174.87 2x30 n ASP 144 N 12.88 0.32 -1.80 6.15 8.00 -1.26 -5.06 116.55 135.78 2x30 n ASP 144 Ca 0.46 -1.56 -0.02 0.00 0.71 0.00 0.00 54.79 54.37 2x30 n ASP 144 Cb 0.33 -0.88 0.01 0.00 -0.02 0.00 0.00 41.12 40.56 2x30 n ASP 144 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2x30 n GLY 145 N -2.88 1.21 0.00 0.44 0.00 -1.26 -4.50 105.19 98.19 2x30 n GLY 145 Ca 0.15 -1.03 0.00 0.00 0.00 0.00 0.00 46.02 45.14 2x30 n GLY 145 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2x30 n GLY 146 N -0.25 2.15 3.73 -0.02 0.00 -1.19 -4.87 105.19 104.73 2x30 n GLY 146 Ca -0.02 -0.62 -0.41 0.00 0.00 0.00 0.00 46.02 44.97 2x30 n GLY 146 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2x30 s ASP 147 N 0.00 7.40 0.14 1.61 2.15 -1.26 -0.05 116.67 126.66 2x30 s ASP 147 Ca 0.00 1.68 -0.22 0.00 0.43 0.00 0.00 52.55 54.44 2x30 s ASP 147 Cb 0.00 -2.55 -0.01 0.00 -0.30 0.00 0.00 42.92 40.06 2x30 s ASP 147 CO 0.00 -0.07 1.66 0.25 -0.17 0.00 0.00 175.17 176.84 2x30 h LEU 148 N 5.78 -0.54 -0.27 -1.34 5.85 -0.80 -0.88 115.31 123.12 2x30 h LEU 148 Ca -0.43 0.10 -0.20 0.00 0.84 0.00 0.00 57.88 58.19 2x30 h LEU 148 Cb 1.21 0.26 0.00 0.00 0.37 0.00 0.00 40.66 42.50 2x30 h LEU 148 CO 0.72 -0.22 -0.72 1.88 -0.34 0.00 0.00 178.44 179.76 2x30 h TYR 149 N -0.20 0.90 -0.74 1.25 0.05 -1.94 -0.71 116.97 115.57 2x30 h TYR 149 Ca 0.11 -0.38 -0.00 0.00 0.05 0.00 0.00 58.73 58.50 2x30 h TYR 149 Cb 0.36 -0.14 -0.04 0.00 1.01 0.00 0.00 36.73 37.92 2x30 h TYR 149 CO -0.30 1.19 0.45 0.93 -1.05 0.00 0.00 178.16 179.39 2x30 h GLU 150 N 0.47 1.01 -0.44 4.88 5.08 -1.94 -1.51 114.58 122.13 2x30 h GLU 150 Ca -0.04 -0.09 -0.15 0.00 -1.00 0.00 0.00 59.36 58.09 2x30 h GLU 150 Cb 1.33 -0.21 -0.01 0.00 0.50 0.00 0.00 28.75 30.36 2x30 h GLU 150 CO 0.14 0.71 -0.29 1.15 -1.00 0.00 0.00 179.01 179.72 2x30 h THR 151 N 1.01 1.27 -0.50 1.13 2.02 -0.98 -1.98 112.91 114.89 2x30 h THR 151 Ca 0.27 -1.46 -0.04 0.00 0.77 0.00 0.00 66.41 65.95 2x30 h THR 151 Cb -0.04 1.24 -0.02 0.00 -1.74 0.00 0.00 68.15 67.58 2x30 h THR 151 CO -0.05 0.50 0.17 -0.07 0.37 0.00 0.00 175.52 176.44 2x30 h LEU 152 N 0.82 0.72 -0.19 2.58 3.38 -1.06 -0.96 115.31 120.60 2x30 h LEU 152 Ca 0.09 -0.20 0.04 0.00 0.09 0.00 0.00 57.88 57.90 2x30 h LEU 152 Cb 0.88 -0.19 -0.04 0.00 0.09 0.00 0.00 40.66 41.41 2x30 h LEU 152 CO 0.08 0.72 -0.04 -0.78 0.09 0.00 0.00 178.44 178.51 2x30 h ASP 153 N 0.68 -0.16 -0.14 -0.43 3.58 -1.11 0.47 116.42 119.31 2x30 h ASP 153 Ca 0.16 0.05 -0.00 0.00 0.42 0.00 0.00 57.03 57.67 2x30 h ASP 153 Cb 0.25 0.11 -0.01 0.00 1.72 0.00 0.00 39.33 41.40 2x30 h ASP 153 CO -0.01 -0.06 0.08 -0.09 -2.88 0.00 0.00 179.24 176.28 2x30 h ARG 154 N 0.01 0.19 -0.40 0.28 2.43 -1.18 -1.16 114.38 114.55 2x30 h ARG 154 Ca 0.09 -0.02 -0.07 0.00 -0.81 0.00 0.00 59.98 59.17 2x30 h ARG 154 Cb 0.13 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 29.63 2x30 h ARG 154 CO -0.19 0.21 -0.02 -0.07 -1.51 0.00 0.00 179.97 178.39 2x30 h LEU 155 N 0.13 0.72 -0.34 3.80 3.38 -1.05 0.01 115.31 121.96 2x30 h LEU 155 Ca 0.05 -0.32 0.06 0.00 0.09 0.00 0.00 57.88 57.76 2x30 h LEU 155 Cb 0.07 -0.19 -0.08 0.00 0.09 0.00 0.00 40.66 40.54 2x30 h LEU 155 CO -0.01 0.86 -0.43 0.78 0.09 0.00 0.00 178.44 179.74 2x30 h ASN 156 N 0.55 -1.41 0.92 -0.43 2.35 0.08 -0.42 115.58 117.22 2x30 h ASN 156 Ca 0.11 0.21 0.00 0.00 -0.55 0.00 0.00 56.30 56.07 2x30 h ASN 156 Cb 0.51 0.61 0.00 0.00 0.05 0.00 0.00 38.32 39.49 2x30 h ASN 156 CO 0.02 -0.38 0.00 0.11 -1.65 0.00 0.00 177.43 175.53 2x30 h LYS 157 N -0.37 0.00 -0.00 0.81 1.79 -1.02 -1.21 116.57 116.57 2x30 h LYS 157 Ca 0.12 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.59 2x30 h LYS 157 Cb 0.59 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.24 2x30 h LYS 157 CO -0.53 0.00 -0.03 0.39 -1.08 0.00 0.00 179.45 178.20 2x30 n GLU 158 N -2.77 0.60 -0.60 3.15 1.02 -0.03 -4.88 120.64 117.13 2x30 n GLU 158 Ca 0.01 -0.06 0.00 0.00 -0.02 0.00 0.00 57.16 57.09 2x30 n GLU 158 Cb 0.28 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.20 2x30 n GLU 158 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2x30 n GLY 159 N 1.23 0.65 3.73 0.62 0.00 -0.46 -4.69 105.19 106.27 2x30 n GLY 159 Ca 0.16 -0.50 -0.42 0.00 0.00 0.00 0.00 46.02 45.26 2x30 n GLY 159 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2x30 n ALA 161 N 2.02 3.00 -3.62 0.00 0.00 -1.26 -4.78 120.51 115.86 2x30 n ALA 161 Ca 0.09 -0.36 -0.08 0.00 0.00 0.00 0.00 53.44 53.09 2x30 n ALA 161 Cb 0.36 -0.99 -0.06 0.00 0.00 0.00 0.00 19.45 18.75 2x30 n ALA 161 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 2x30 s ARG 162 N -3.30 0.46 0.04 0.00 3.52 -1.26 -3.94 118.95 114.46 2x30 s ARG 162 Ca 0.01 0.38 0.08 0.00 -0.13 0.00 0.00 55.73 56.07 2x30 s ARG 162 Cb 0.13 0.22 -0.03 0.00 -1.56 0.00 0.00 34.95 33.71 2x30 s ARG 162 CO 0.81 -0.09 -0.21 0.71 -0.81 0.00 0.00 175.30 175.72 2x30 s TYR 163 N -0.22 2.49 -0.23 5.12 2.02 -0.58 -1.82 117.35 124.14 2x30 s TYR 163 Ca 0.03 -0.30 -0.04 0.00 -0.37 0.00 0.00 57.07 56.38 2x30 s TYR 163 Cb -0.04 -1.45 -0.01 0.00 -0.40 0.00 0.00 41.96 40.07 2x30 s TYR 163 CO -0.05 0.21 -0.03 0.08 -1.57 0.00 0.00 175.55 174.19 2x30 s VAL 164 N -0.88 3.48 -0.18 0.71 1.01 -0.13 -0.11 120.40 124.30 2x30 s VAL 164 Ca 0.14 -0.49 -0.03 0.00 0.00 0.00 0.00 61.98 61.59 2x30 s VAL 164 Cb -0.10 -2.61 -0.02 0.00 0.00 0.00 0.00 36.38 33.65 2x30 s VAL 164 CO 0.04 0.39 -0.05 -0.69 0.00 0.00 0.00 175.10 174.79 2x30 s VAL 165 N 1.49 3.63 -0.05 2.92 1.01 0.30 0.30 120.40 130.00 2x30 s VAL 165 Ca 0.05 -0.43 0.05 0.00 0.00 0.00 0.00 61.98 61.65 2x30 s VAL 165 Cb -0.15 -2.61 -0.00 0.00 0.00 0.00 0.00 36.38 33.62 2x30 s VAL 165 CO -0.02 0.46 -0.20 -0.89 0.00 0.00 0.00 175.10 174.45 2x30 s THR 166 N 0.80 1.70 -0.25 3.92 2.01 0.13 -1.33 115.64 122.61 2x30 s THR 166 Ca -0.01 -0.86 -0.27 0.00 0.31 0.00 0.00 61.69 60.86 2x30 s THR 166 Cb -0.15 -1.45 0.00 0.00 0.01 0.00 0.00 72.50 70.92 2x30 s THR 166 CO 0.02 0.48 0.94 -0.62 -0.69 0.00 0.00 174.62 174.75 2x30 s ASP 167 N 0.01 6.93 0.00 3.53 -1.08 -1.26 -1.20 116.67 123.61 2x30 s ASP 167 Ca -0.05 1.14 0.17 0.00 -0.52 0.00 0.00 52.55 53.29 2x30 s ASP 167 Cb -0.13 -2.49 0.22 0.00 -1.46 0.00 0.00 42.92 39.06 2x30 s ASP 167 CO 0.03 -0.64 1.13 -0.38 0.52 0.00 0.00 175.17 175.84 2x30 n ILE 168 N 5.39 0.23 0.00 4.11 2.08 0.90 -4.88 119.36 127.20 2x30 n ILE 168 Ca 0.09 -0.62 -0.09 0.00 0.56 0.00 0.00 62.75 62.69 2x30 n ILE 168 Cb 0.47 1.16 -0.07 0.00 -0.75 0.00 0.00 39.64 40.45 2x30 n ILE 168 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 2x30 h ALA 169 N 3.37 -0.12 -2.67 -1.39 0.00 -1.91 -3.46 119.26 113.09 2x30 h ALA 169 Ca 0.00 -0.25 -0.51 0.00 0.00 0.00 0.00 54.91 54.16 2x30 h ALA 169 Cb 0.76 0.05 0.07 0.00 0.00 0.00 0.00 17.79 18.67 2x30 h ALA 169 CO 0.00 -0.16 0.46 -2.14 0.00 0.00 0.00 179.25 177.41 2x30 s PRO 177 N -2.73 3.54 -1.10 0.00 0.02 -1.20 -5.09 135.00 128.44 2x30 s PRO 177 Ca -0.12 1.72 -0.16 0.00 0.02 0.00 0.00 61.00 62.47 2x30 s PRO 177 Cb -0.01 -2.21 0.16 0.00 0.02 0.00 0.00 34.50 32.46 2x30 s PRO 177 CO 0.43 -0.72 1.31 1.21 -0.33 0.00 0.00 177.00 178.90 2x30 s ASN 178 N -1.54 6.91 0.43 2.53 3.84 -1.26 -4.83 114.94 121.03 2x30 s ASN 178 Ca 0.68 -2.65 0.15 0.00 0.21 0.00 0.00 52.86 51.25 2x30 s ASN 178 Cb -0.27 -2.40 0.96 0.00 -0.55 0.00 0.00 41.25 39.00 2x30 s ASN 178 CO 0.32 -0.86 1.96 -0.07 -2.79 0.00 0.00 177.10 175.66 2x30 h LEU 179 N 9.92 0.00 0.04 3.21 3.38 -1.99 -2.11 115.31 127.76 2x30 h LEU 179 Ca 0.26 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.22 2x30 h LEU 179 Cb 0.93 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.68 2x30 h LEU 179 CO 1.19 0.23 -0.02 -0.08 0.09 0.00 0.00 178.44 179.84 2x30 h GLU 180 N 0.00 -0.05 -0.48 1.13 4.81 -1.99 -1.69 114.58 116.31 2x30 h GLU 180 Ca -0.00 0.00 0.06 0.00 -0.13 0.00 0.00 59.36 59.29 2x30 h GLU 180 Cb 0.41 0.01 -0.05 0.00 0.63 0.00 0.00 28.75 29.75 2x30 h GLU 180 CO 0.03 0.08 0.19 1.25 -0.73 0.00 0.00 179.01 179.82 2x30 h LEU 181 N -0.17 0.22 -0.45 1.64 5.85 -1.85 -0.05 115.31 120.50 2x30 h LEU 181 Ca -0.01 0.05 0.05 0.00 0.84 0.00 0.00 57.88 58.81 2x30 h LEU 181 Cb 0.15 0.02 -0.05 0.00 0.37 0.00 0.00 40.66 41.16 2x30 h LEU 181 CO 0.01 0.16 0.18 -0.07 -0.34 0.00 0.00 178.44 178.38 2x30 h LEU 182 N 0.38 0.22 -0.77 2.25 3.38 -1.29 -1.06 115.31 118.41 2x30 h LEU 182 Ca 0.22 0.04 -0.09 0.00 0.09 0.00 0.00 57.88 58.15 2x30 h LEU 182 Cb 0.20 0.01 -0.02 0.00 0.09 0.00 0.00 40.66 40.94 2x30 h LEU 182 CO -0.21 0.16 -0.02 0.50 0.09 0.00 0.00 178.44 178.96 2x30 h LYS 183 N 0.37 0.91 -0.48 1.13 3.64 -1.03 0.42 116.57 121.52 2x30 h LYS 183 Ca 0.20 -0.27 -0.05 0.00 -1.27 0.00 0.00 60.65 59.26 2x30 h LYS 183 Cb 0.17 -0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 31.88 2x30 h LYS 183 CO -0.19 0.92 0.09 -0.91 -2.27 0.00 0.00 179.45 177.09 2x30 h ASN 184 N 0.83 0.69 -0.01 4.20 2.35 -0.61 -0.19 115.58 122.85 2x30 h ASN 184 Ca 0.15 -0.12 -0.19 0.00 -0.55 0.00 0.00 56.30 55.59 2x30 h ASN 184 Cb 0.53 -0.18 0.01 0.00 0.05 0.00 0.00 38.32 38.73 2x30 h ASN 184 CO 0.03 0.70 -0.72 0.58 -1.65 0.00 0.00 177.43 176.37 2x30 h VAL 185 N 0.71 1.38 -0.98 2.81 2.07 -0.88 -3.09 116.25 118.27 2x30 h VAL 185 Ca 0.16 -2.11 0.22 0.00 0.82 0.00 0.00 66.70 65.79 2x30 h VAL 185 Cb 0.31 2.51 -0.08 0.00 -1.52 0.00 0.00 31.29 32.50 2x30 h VAL 185 CO 0.00 0.63 0.63 0.00 0.02 0.00 0.00 177.57 178.85 2x30 h ALA 187 N 1.62 1.34 -0.26 0.00 0.00 -0.96 -3.23 119.26 117.78 2x30 h ALA 187 Ca 0.54 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 55.19 2x30 h ALA 187 Cb 1.24 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.98 2x30 h ALA 187 CO -0.26 0.35 0.00 0.00 0.00 0.00 0.00 179.25 179.34 2x30 n ALA 188 N -2.40 2.47 -3.48 0.00 0.00 -0.37 -4.95 120.51 111.78 2x30 n ALA 188 Ca -0.02 -0.75 -0.17 0.00 0.00 0.00 0.00 53.44 52.50 2x30 n ALA 188 Cb 0.36 -0.97 -0.06 0.00 0.00 0.00 0.00 19.45 18.77 2x30 n ALA 188 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.50 177.42 2x30 s THR 189 N -1.67 0.01 -1.61 0.00 -1.32 -1.19 -4.83 115.64 105.02 2x30 s THR 189 Ca 0.35 -0.07 0.17 0.00 -1.21 0.00 0.00 61.69 60.93 2x30 s THR 189 Cb 0.20 -0.94 0.56 0.00 -1.51 0.00 0.00 72.50 70.81 2x30 s THR 189 CO 0.29 -0.04 1.46 -0.90 -2.21 0.00 0.00 174.62 173.22 2x30 n ASP 190 N 1.00 3.60 -4.82 8.08 5.75 -1.26 -4.82 116.55 124.08 2x30 n ASP 190 Ca -0.19 -2.18 -0.33 0.00 -0.01 0.00 0.00 54.79 52.08 2x30 n ASP 190 Cb 0.57 -0.46 -0.06 0.00 -1.03 0.00 0.00 41.12 40.13 2x30 n ASP 190 CO 0.00 0.00 0.00 -0.13 -0.11 0.00 0.00 177.20 176.96 2x30 s ARG 191 N -1.49 3.17 0.53 0.11 1.81 -1.26 -5.07 118.95 116.74 2x30 s ARG 191 Ca 0.41 -0.43 -0.21 0.00 -1.72 0.00 0.00 55.73 53.77 2x30 s ARG 191 Cb 0.24 -2.93 -0.07 0.00 -0.45 0.00 0.00 34.95 31.74 2x30 s ARG 191 CO 0.24 0.66 1.14 -0.35 -0.68 0.00 0.00 175.30 176.30 2x30 n PRO 192 N 1.16 1.36 -4.89 3.54 -0.04 -1.25 -4.78 135.00 130.09 2x30 n PRO 192 Ca -0.13 0.50 -0.32 0.00 -0.04 0.00 0.00 63.50 63.52 2x30 n PRO 192 Cb 0.53 -2.30 -0.17 0.00 -0.04 0.00 0.00 33.50 31.52 2x30 n PRO 192 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 2x30 s VAL 193 N -1.36 2.02 -0.20 0.52 1.01 -0.77 -1.53 120.40 120.09 2x30 s VAL 193 Ca 0.70 -0.97 -0.08 0.00 0.00 0.00 0.00 61.98 61.63 2x30 s VAL 193 Cb -0.45 -1.77 -0.04 0.00 0.00 0.00 0.00 36.38 34.12 2x30 s VAL 193 CO 0.51 0.55 0.08 -0.69 0.00 0.00 0.00 175.10 175.54 2x30 s VAL 194 N 0.62 4.85 0.07 2.92 1.01 0.84 -0.66 120.40 130.06 2x30 s VAL 194 Ca -0.12 -0.01 -0.29 0.00 0.00 0.00 0.00 61.98 61.56 2x30 s VAL 194 Cb -0.17 -3.20 -0.05 0.00 0.00 0.00 0.00 36.38 32.96 2x30 s VAL 194 CO 0.03 0.43 0.91 0.00 0.00 0.00 0.00 175.10 176.47 2x30 s ALA 195 N 0.59 3.26 -0.11 5.51 0.00 0.95 -0.53 121.76 131.43 2x30 s ALA 195 Ca 0.04 0.49 0.01 0.00 0.00 0.00 0.00 51.96 52.50 2x30 s ALA 195 Cb -0.13 -3.22 0.02 0.00 0.00 0.00 0.00 23.12 19.80 2x30 s ALA 195 CO 0.01 -0.04 -0.11 0.45 0.00 0.00 0.00 175.76 176.07 2x30 s SER 196 N 0.16 2.23 0.00 0.00 0.15 -0.44 0.13 113.70 115.93 2x30 s SER 196 Ca 0.45 -0.36 0.00 0.00 0.70 0.00 0.00 55.95 56.75 2x30 s SER 196 Cb -0.22 -0.94 0.00 0.00 -1.71 0.00 0.00 66.02 63.15 2x30 s SER 196 CO 0.28 -0.05 0.00 0.61 1.20 0.00 0.00 173.24 175.27 2x30 n GLY 197 N 4.55 0.26 0.72 9.45 0.00 -1.24 -4.32 105.19 114.60 2x30 n GLY 197 Ca -0.17 -1.64 0.00 0.00 0.00 0.00 0.00 46.02 44.21 2x30 n GLY 197 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2x30 n GLY 198 N 0.51 1.35 3.62 -0.02 0.00 -1.26 -4.66 105.19 104.73 2x30 n GLY 198 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 2x30 n GLY 198 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2x30 s VAL 199 N -2.31 4.13 0.00 1.61 1.01 -1.26 -3.23 120.40 120.35 2x30 s VAL 199 Ca 0.00 1.25 0.00 0.00 0.00 0.00 0.00 61.98 63.23 2x30 s VAL 199 Cb 0.00 -4.23 0.00 0.00 0.00 0.00 0.00 36.38 32.15 2x30 s VAL 199 CO 0.00 -0.58 0.49 -1.54 0.00 0.00 0.00 175.10 173.47 2x30 n SER 200 N 7.81 0.76 -3.81 3.32 3.41 -1.26 -4.26 113.62 119.58 2x30 n SER 200 Ca 0.15 -1.24 -0.09 0.00 -0.26 0.00 0.00 58.87 57.42 2x30 n SER 200 Cb 0.47 0.00 -0.04 0.00 -0.26 0.00 0.00 64.21 64.38 2x30 n SER 200 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 2x30 s SER 201 N -0.24 -0.18 0.46 4.04 1.04 -1.26 -4.92 113.70 112.64 2x30 s SER 201 Ca 0.00 -0.61 0.25 0.00 0.48 0.00 0.00 55.95 56.07 2x30 s SER 201 Cb 0.00 0.55 1.08 0.00 0.10 0.00 0.00 66.02 67.75 2x30 s SER 201 CO 0.00 -1.04 1.90 -0.07 0.98 0.00 0.00 173.24 175.01 2x30 h LEU 202 N 2.27 0.00 -0.51 2.42 3.38 -1.98 -2.88 115.31 118.00 2x30 h LEU 202 Ca -0.29 0.00 0.04 0.00 0.09 0.00 0.00 57.88 57.73 2x30 h LEU 202 Cb 1.25 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.96 2x30 h LEU 202 CO 0.39 0.20 0.26 0.44 0.09 0.00 0.00 178.44 179.82 2x30 h ASP 203 N 0.00 0.38 -0.65 -0.43 5.19 -2.00 -2.50 116.42 116.41 2x30 h ASP 203 Ca -0.00 0.03 -0.04 0.00 -0.62 0.00 0.00 57.03 56.40 2x30 h ASP 203 Cb 0.63 -0.04 -0.03 0.00 0.18 0.00 0.00 39.33 40.07 2x30 h ASP 203 CO 0.03 0.26 0.28 0.44 -3.12 0.00 0.00 179.24 177.12 2x30 h ASP 204 N 0.51 0.90 -0.34 6.45 3.32 -1.91 -1.38 116.42 123.97 2x30 h ASP 204 Ca 0.23 -0.12 -0.06 0.00 0.02 0.00 0.00 57.03 57.10 2x30 h ASP 204 Cb 0.13 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 39.44 2x30 h ASP 204 CO -0.16 0.80 -0.01 -0.07 -1.72 0.00 0.00 179.24 178.08 2x30 h LEU 205 N 0.97 0.59 -0.52 1.55 3.38 -1.45 -0.95 115.31 118.89 2x30 h LEU 205 Ca 0.23 -0.32 -0.08 0.00 0.09 0.00 0.00 57.88 57.81 2x30 h LEU 205 Cb 0.17 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.74 2x30 h LEU 205 CO -0.02 0.76 0.03 0.03 0.09 0.00 0.00 178.44 179.33 2x30 h ARG 206 N 0.40 0.89 -0.43 1.13 3.08 -1.33 0.29 114.38 118.42 2x30 h ARG 206 Ca 0.09 -0.27 0.08 0.00 0.07 0.00 0.00 59.98 59.95 2x30 h ARG 206 Cb 0.47 -0.09 -0.07 0.00 0.08 0.00 0.00 29.97 30.36 2x30 h ARG 206 CO 0.02 0.91 0.01 0.00 -1.07 0.00 0.00 179.97 179.83 2x30 h ALA 207 N 0.95 0.41 -0.33 0.04 0.00 -1.20 -0.74 119.26 118.39 2x30 h ALA 207 Ca 0.15 0.12 -0.04 0.00 0.00 0.00 0.00 54.91 55.14 2x30 h ALA 207 Cb 0.48 0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.47 2x30 h ALA 207 CO 0.02 -0.39 0.03 0.82 0.00 0.00 0.00 179.25 179.74 2x30 h ILE 208 N 0.12 1.25 -0.13 0.00 2.04 -0.75 -3.01 117.51 117.02 2x30 h ILE 208 Ca 0.22 -0.88 0.04 0.00 1.00 0.00 0.00 64.86 65.23 2x30 h ILE 208 Cb 0.31 1.18 -0.01 0.00 -0.74 0.00 0.00 36.82 37.57 2x30 h ILE 208 CO -0.35 0.29 0.15 0.00 0.00 0.00 0.00 178.15 178.24 2x30 h ALA 209 N 0.87 1.71 0.00 1.87 0.00 -0.15 -0.04 119.26 123.52 2x30 h ALA 209 Ca 0.10 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 2x30 h ALA 209 Cb 0.39 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.19 2x30 h ALA 209 CO 0.01 -0.22 -0.03 0.78 0.00 0.00 0.00 179.25 179.78 2x30 h GLY 210 N 0.00 0.00 -0.69 0.00 0.00 -0.99 -2.47 103.07 98.92 2x30 h GLY 210 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.39 2x30 h GLY 210 CO -0.00 0.00 0.00 1.04 0.00 0.00 0.00 176.54 177.58 2x30 n LEU 211 N -3.21 1.69 -0.11 3.11 4.77 -0.03 -4.33 117.00 118.89 2x30 n LEU 211 Ca -0.01 -0.60 -0.05 0.00 -0.03 0.00 0.00 56.01 55.32 2x30 n LEU 211 Cb 0.23 -0.03 0.02 0.00 -2.33 0.00 0.00 43.42 41.31 2x30 n LEU 211 CO 0.26 0.30 0.84 0.58 -1.33 0.00 0.00 177.39 178.05 2x30 h VAL 212 N 2.54 0.70 0.00 4.08 2.07 -1.52 -1.00 116.25 123.12 2x30 h VAL 212 Ca 0.00 -0.03 -0.01 0.00 0.82 0.00 0.00 66.70 67.48 2x30 h VAL 212 Cb 0.54 0.60 -0.00 0.00 -1.52 0.00 0.00 31.29 30.91 2x30 h VAL 212 CO 0.00 0.02 -0.03 -0.65 0.02 0.00 0.00 177.57 176.93 2x30 h PRO 213 N 0.09 0.00 0.00 1.57 0.11 -1.82 0.33 132.00 132.29 2x30 h PRO 213 Ca 0.19 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.30 2x30 h PRO 213 Cb 0.27 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.38 2x30 h PRO 213 CO -0.32 0.03 0.00 0.00 -0.21 0.00 0.00 178.00 177.49 2x30 h ALA 214 N 1.97 1.00 0.00 -0.75 0.00 -1.48 -3.46 119.26 116.54 2x30 h ALA 214 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2x30 h ALA 214 Cb 0.10 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.89 2x30 h ALA 214 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.66 2x30 n GLY 215 N 0.52 1.76 3.68 0.00 0.00 0.10 -4.78 105.19 106.47 2x30 n GLY 215 Ca 0.03 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.64 2x30 n GLY 215 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2x30 s VAL 216 N -2.00 4.90 -0.21 1.61 1.01 -0.99 -1.86 120.40 122.86 2x30 s VAL 216 Ca 0.00 1.63 0.13 0.00 0.00 0.00 0.00 61.98 63.74 2x30 s VAL 216 Cb 0.00 -4.14 -0.23 0.00 0.00 0.00 0.00 36.38 32.02 2x30 s VAL 216 CO 0.00 0.06 0.01 1.21 0.00 0.00 0.00 175.10 176.38 2x30 n GLU 217 N 5.01 0.68 -3.84 2.72 2.13 0.17 -3.99 120.64 123.52 2x30 n GLU 217 Ca 0.04 0.05 -0.05 0.00 0.66 0.00 0.00 57.16 57.87 2x30 n GLU 217 Cb 0.49 -1.53 0.01 0.00 0.27 0.00 0.00 31.44 30.68 2x30 n GLU 217 CO 0.00 0.00 0.00 0.20 -0.41 0.00 0.00 177.13 176.92 2x30 s GLY 218 N -5.78 0.12 -0.03 8.31 0.00 -1.24 -1.31 107.32 107.38 2x30 s GLY 218 Ca -0.17 -0.37 -0.00 0.00 0.00 0.00 0.00 44.72 44.17 2x30 s GLY 218 CO 0.76 1.25 0.03 0.00 0.00 0.00 0.00 173.10 175.14 2x30 s ALA 219 N -2.45 0.14 -0.09 3.20 0.00 -0.09 -0.03 121.76 122.43 2x30 s ALA 219 Ca 0.18 0.27 -0.26 0.00 0.00 0.00 0.00 51.96 52.15 2x30 s ALA 219 Cb -0.03 -0.35 -0.03 0.00 0.00 0.00 0.00 23.12 22.72 2x30 s ALA 219 CO 0.06 -0.20 0.83 0.42 0.00 0.00 0.00 175.76 176.87 2x30 s ILE 220 N 1.34 4.93 -0.09 0.00 1.01 0.12 -1.46 121.20 127.05 2x30 s ILE 220 Ca -0.06 1.68 0.03 0.00 0.00 0.00 0.00 60.65 62.30 2x30 s ILE 220 Cb -0.13 -4.15 0.01 0.00 0.01 0.00 0.00 42.46 38.20 2x30 s ILE 220 CO -0.03 0.13 -0.18 0.68 0.00 0.00 0.00 174.94 175.54 2x30 s VAL 221 N 1.41 1.63 0.00 2.92 -7.23 -0.59 -3.71 120.40 114.83 2x30 s VAL 221 Ca 0.42 -0.75 0.00 0.00 -1.81 0.00 0.00 61.98 59.83 2x30 s VAL 221 Cb -0.18 -1.44 0.00 0.00 0.56 0.00 0.00 36.38 35.32 2x30 s VAL 221 CO 0.18 0.46 0.00 0.61 -0.31 0.00 0.00 175.10 176.05 2x30 n GLY 222 N 3.80 0.36 0.33 2.32 0.00 -1.26 0.25 105.19 110.98 2x30 n GLY 222 Ca -0.20 0.00 0.05 0.00 0.00 0.00 0.00 46.02 45.87 2x30 n GLY 222 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2x30 n LYS 223 N -0.43 -0.09 -0.27 1.61 0.00 -1.26 -1.48 118.16 116.23 2x30 n LYS 223 Ca 0.00 1.42 -0.05 0.00 0.00 0.00 0.00 58.31 59.68 2x30 n LYS 223 Cb 0.00 -2.12 0.06 0.00 0.00 0.00 0.00 35.03 32.97 2x30 n LYS 223 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2x30 h ALA 224 N 1.78 0.95 -0.59 3.14 0.00 -1.93 -1.15 119.26 121.46 2x30 h ALA 224 Ca 0.43 -0.09 -0.09 0.00 0.00 0.00 0.00 54.91 55.16 2x30 h ALA 224 Cb 0.66 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 18.12 2x30 h ALA 224 CO -0.94 0.43 0.01 -0.07 0.00 0.00 0.00 179.25 178.68 2x30 h LEU 225 N 1.02 1.02 -0.65 0.00 3.38 -1.52 -0.11 115.31 118.45 2x30 h LEU 225 Ca 0.27 -0.30 -0.13 0.00 0.09 0.00 0.00 57.88 57.81 2x30 h LEU 225 Cb -0.03 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.44 2x30 h LEU 225 CO -0.05 1.07 -0.34 1.88 0.09 0.00 0.00 178.44 181.09 2x30 h TYR 226 N 0.93 0.79 -0.10 1.13 0.05 -1.34 -3.09 116.97 115.34 2x30 h TYR 226 Ca 0.17 -0.21 0.00 0.00 0.05 0.00 0.00 58.73 58.73 2x30 h TYR 226 Cb 0.54 -0.18 0.00 0.00 1.01 0.00 0.00 36.73 38.11 2x30 h TYR 226 CO 0.04 0.93 0.00 0.00 -1.05 0.00 0.00 178.16 178.08 2x30 n ALA 227 N -2.51 2.55 -3.70 3.88 0.00 -0.46 -4.94 120.51 115.33 2x30 n ALA 227 Ca -0.01 -0.40 -0.23 0.00 0.00 0.00 0.00 53.44 52.80 2x30 n ALA 227 Cb 0.49 -1.17 0.04 0.00 0.00 0.00 0.00 19.45 18.82 2x30 n ALA 227 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2x30 n LYS 228 N -0.02 -5.53 -0.11 0.00 5.02 -0.74 -4.93 118.16 111.86 2x30 n LYS 228 Ca 0.16 0.66 -0.12 0.00 -2.02 0.00 0.00 58.31 57.00 2x30 n LYS 228 Cb 0.26 -5.40 -0.03 0.00 -0.02 0.00 0.00 35.03 29.84 2x30 n LYS 228 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2x30 h ALA 229 N 0.91 0.44 -2.57 7.82 0.00 -1.33 -3.46 119.26 121.06 2x30 h ALA 229 Ca -0.60 -0.31 -0.15 0.00 0.00 0.00 0.00 54.91 53.85 2x30 h ALA 229 Cb 1.36 -0.11 -0.13 0.00 0.00 0.00 0.00 17.79 18.91 2x30 h ALA 229 CO 0.58 0.31 -0.46 -0.59 0.00 0.00 0.00 179.25 179.09 2x30 s PHE 230 N -4.69 0.67 0.68 0.00 -0.12 -1.26 -4.94 117.98 108.32 2x30 s PHE 230 Ca -0.13 -1.01 -0.10 0.00 -0.05 0.00 0.00 56.93 55.64 2x30 s PHE 230 Cb 0.09 -0.26 0.02 0.00 -0.63 0.00 0.00 43.02 42.23 2x30 s PHE 230 CO 0.80 -0.66 1.04 0.95 -0.05 0.00 0.00 175.22 177.30 2x30 s THR 231 N -4.03 3.47 0.22 -4.49 -4.23 -1.26 -4.63 115.64 100.69 2x30 s THR 231 Ca 0.23 0.32 -0.00 0.00 -1.18 0.00 0.00 61.69 61.06 2x30 s THR 231 Cb 0.05 -3.45 -0.03 0.00 1.34 0.00 0.00 72.50 70.42 2x30 s THR 231 CO 0.03 -0.55 1.56 0.25 -0.54 0.00 0.00 174.62 175.37 2x30 h LEU 232 N -0.53 0.52 -0.58 4.79 5.85 -1.94 -2.42 115.31 120.99 2x30 h LEU 232 Ca -0.45 -0.26 0.00 0.00 0.84 0.00 0.00 57.88 58.02 2x30 h LEU 232 Cb 1.26 -0.15 -0.03 0.00 0.37 0.00 0.00 40.66 42.11 2x30 h LEU 232 CO 0.63 0.93 0.38 -0.33 -0.34 0.00 0.00 178.44 179.70 2x30 h GLU 233 N 0.38 0.78 -0.87 1.25 3.07 -1.95 0.16 114.58 117.40 2x30 h GLU 233 Ca 0.02 -0.05 -0.00 0.00 -0.50 0.00 0.00 59.36 58.82 2x30 h GLU 233 Cb 1.00 -0.17 -0.04 0.00 -0.84 0.00 0.00 28.75 28.70 2x30 h GLU 233 CO 0.09 0.53 0.54 0.93 -1.40 0.00 0.00 179.01 179.70 2x30 h GLU 234 N 0.79 1.17 -0.13 2.33 5.08 -1.94 -1.81 114.58 120.08 2x30 h GLU 234 Ca 0.21 -0.09 -0.02 0.00 -1.00 0.00 0.00 59.36 58.46 2x30 h GLU 234 Cb -0.07 -0.25 -0.00 0.00 0.50 0.00 0.00 28.75 28.93 2x30 h GLU 234 CO -0.04 0.81 0.00 0.00 -1.00 0.00 0.00 179.01 178.77 2x30 h ALA 235 N 1.40 0.17 -0.86 3.43 0.00 -0.85 -2.24 119.26 120.31 2x30 h ALA 235 Ca 0.31 -0.18 0.09 0.00 0.00 0.00 0.00 54.91 55.13 2x30 h ALA 235 Cb -0.08 -0.05 -0.06 0.00 0.00 0.00 0.00 17.79 17.61 2x30 h ALA 235 CO -0.06 -0.14 0.56 -0.07 0.00 0.00 0.00 179.25 179.54 2x30 h LEU 236 N -0.04 0.78 0.24 0.00 3.38 -0.57 -2.38 115.31 116.72 2x30 h LEU 236 Ca 0.04 0.02 -0.01 0.00 0.09 0.00 0.00 57.88 58.01 2x30 h LEU 236 Cb 0.36 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 40.96 2x30 h LEU 236 CO 0.01 0.47 -0.11 -0.33 0.09 0.00 0.00 178.44 178.56 2x30 h GLU 237 N 0.87 -0.30 0.00 1.13 4.39 -1.23 -3.28 114.58 116.15 2x30 h GLU 237 Ca 0.39 0.02 0.00 0.00 0.34 0.00 0.00 59.36 60.11 2x30 h GLU 237 Cb 0.37 0.07 0.00 0.00 -0.10 0.00 0.00 28.75 29.08 2x30 h GLU 237 CO -0.16 -0.17 0.00 0.00 -1.16 0.00 0.00 179.01 177.52 2x30 h ALA 238 N 0.40 1.00 -0.02 3.43 0.00 -0.95 -2.90 119.26 120.23 2x30 h ALA 238 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.88 2x30 h ALA 238 Cb 0.27 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.06 2x30 h ALA 238 CO 0.05 0.00 -0.16 0.25 0.00 0.00 0.00 179.25 179.40 2x30 n THR 239 N -3.06 0.00 0.00 0.00 -2.24 -0.94 -4.66 114.28 103.39 2x30 n THR 239 Ca -0.01 -0.36 0.00 0.00 -2.27 0.00 0.00 64.05 61.41 2x30 n THR 239 Cb 0.22 1.18 0.00 0.00 -2.10 0.00 0.00 70.33 69.63 2x30 n THR 239 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26