#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1iqw s VAL 2 N 0.00 3.05 -0.07 5.09 1.01 -1.26 -4.19 120.40 124.03 1iqw s VAL 2 Ca 0.00 0.65 -0.08 0.00 0.00 0.00 0.00 61.98 62.56 1iqw s VAL 2 Cb 0.00 -3.42 0.02 0.00 0.00 0.00 0.00 36.38 32.98 1iqw s VAL 2 CO 0.00 0.03 0.21 -1.58 0.00 0.00 0.00 175.10 173.76 1iqw s GLN 3 N 1.75 0.28 -0.24 2.72 0.74 -0.58 -5.00 119.66 119.32 1iqw s GLN 3 Ca 0.69 0.23 0.00 0.00 0.05 0.00 0.00 55.36 56.33 1iqw s GLN 3 Cb -0.39 0.13 0.07 0.00 1.10 0.00 0.00 33.01 33.92 1iqw s GLN 3 CO 0.31 -0.04 -0.01 -0.51 -0.55 0.00 0.00 175.29 174.49 1iqw s LEU 4 N -0.05 2.40 -0.14 3.68 1.43 -1.26 -1.66 118.68 123.09 1iqw s LEU 4 Ca -0.02 -1.23 -0.05 0.00 -1.03 0.00 0.00 54.13 51.80 1iqw s LEU 4 Cb -0.02 -1.05 -0.04 0.00 0.03 0.00 0.00 46.19 45.11 1iqw s LEU 4 CO 0.01 -0.28 0.03 -1.10 0.23 0.00 0.00 176.35 175.23 1iqw s GLN 5 N 1.48 3.55 0.05 1.70 -0.21 0.05 -3.11 119.66 123.17 1iqw s GLN 5 Ca -0.02 -0.37 0.05 0.00 0.02 0.00 0.00 55.36 55.04 1iqw s GLN 5 Cb -0.18 -3.02 -0.02 0.00 1.00 0.00 0.00 33.01 30.78 1iqw s GLN 5 CO -0.09 0.46 -0.14 -0.65 -2.12 0.00 0.00 175.29 172.75 1iqw s GLN 6 N -0.17 0.85 0.47 2.91 -0.21 -1.26 -1.04 119.66 121.20 1iqw s GLN 6 Ca 0.06 -0.82 -0.23 0.00 0.02 0.00 0.00 55.36 54.39 1iqw s GLN 6 Cb -0.12 -0.85 -0.07 0.00 1.00 0.00 0.00 33.01 32.97 1iqw s GLN 6 CO 0.02 0.20 1.25 -1.25 -2.12 0.00 0.00 175.29 173.39 1iqw s PRO 7 N -1.38 3.64 0.23 2.91 0.04 -1.26 -4.77 135.00 134.42 1iqw s PRO 7 Ca -0.01 1.99 -0.06 0.00 0.04 0.00 0.00 61.00 62.97 1iqw s PRO 7 Cb -0.09 -2.46 0.35 0.00 0.04 0.00 0.00 34.50 32.35 1iqw s PRO 7 CO 0.02 -0.71 1.79 0.78 0.04 0.00 0.00 177.00 178.92 1iqw h GLY 8 N 2.05 1.14 -2.65 0.56 0.00 -1.96 -3.38 103.07 98.84 1iqw h GLY 8 Ca -0.50 -0.26 -0.02 0.00 0.00 0.00 0.00 47.33 46.55 1iqw h GLY 8 CO 0.60 0.09 0.06 0.00 0.00 0.00 0.00 176.54 177.29 1iqw s ALA 9 N -6.05 -1.03 -0.08 3.60 0.00 -1.26 -0.92 121.76 116.01 1iqw s ALA 9 Ca -0.13 -0.13 -0.04 0.00 0.00 0.00 0.00 51.96 51.67 1iqw s ALA 9 Cb 0.18 0.85 0.04 0.00 0.00 0.00 0.00 23.12 24.19 1iqw s ALA 9 CO 0.77 -0.81 0.18 -1.21 0.00 0.00 0.00 175.76 174.69 1iqw s GLU 10 N -3.86 0.12 -0.22 0.00 0.41 -0.17 -4.80 118.70 110.17 1iqw s GLU 10 Ca 0.08 0.45 -0.05 0.00 -0.41 0.00 0.00 54.97 55.04 1iqw s GLU 10 Cb -0.01 -0.17 -0.02 0.00 -1.78 0.00 0.00 34.13 32.15 1iqw s GLU 10 CO -0.04 -0.19 -0.01 -1.17 -0.49 0.00 0.00 175.26 173.37 1iqw s LEU 11 N 1.39 3.10 0.08 1.80 2.96 -1.26 -0.71 118.68 126.04 1iqw s LEU 11 Ca -0.07 -0.31 0.06 0.00 -0.22 0.00 0.00 54.13 53.59 1iqw s LEU 11 Cb -0.11 -1.80 -0.03 0.00 0.50 0.00 0.00 46.19 44.74 1iqw s LEU 11 CO -0.07 -0.01 -0.17 0.68 -1.32 0.00 0.00 176.35 175.47 1iqw s VAL 12 N 1.42 1.36 0.32 1.68 -7.23 0.25 -4.98 120.40 113.22 1iqw s VAL 12 Ca 0.05 -1.36 -0.25 0.00 -1.81 0.00 0.00 61.98 58.61 1iqw s VAL 12 Cb -0.15 -1.26 -0.10 0.00 0.56 0.00 0.00 36.38 35.44 1iqw s VAL 12 CO -0.00 -0.12 0.91 -0.54 -0.31 0.00 0.00 175.10 175.04 1iqw s LYS 13 N -1.72 4.52 0.51 4.82 1.02 -1.26 -0.64 119.74 127.00 1iqw s LYS 13 Ca 0.02 1.25 -0.23 0.00 0.02 0.00 0.00 55.97 57.03 1iqw s LYS 13 Cb -0.10 -2.77 -0.06 0.00 -0.52 0.00 0.00 37.83 34.38 1iqw s LYS 13 CO 0.03 0.28 1.31 -2.30 -0.92 0.00 0.00 175.35 173.74 1iqw n PRO 14 N 0.51 1.73 -0.22 -1.68 -0.02 -1.26 -1.76 135.00 132.29 1iqw n PRO 14 Ca 0.02 0.63 0.00 0.00 -2.02 0.00 0.00 63.50 62.13 1iqw n PRO 14 Cb 0.50 -2.50 0.00 0.00 -0.02 0.00 0.00 33.50 31.49 1iqw n PRO 14 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1iqw n GLY 15 N 0.80 2.09 0.00 -1.23 0.00 0.12 -4.94 105.19 102.04 1iqw n GLY 15 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.11 1iqw n GLY 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1iqw n ALA 16 N -0.10 0.00 -3.05 4.61 0.00 -0.72 -4.38 120.51 116.87 1iqw n ALA 16 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.35 1iqw n ALA 16 Cb 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.39 1iqw n ALA 16 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1iqw s SER 17 N -1.00 -0.08 0.06 0.00 1.04 -1.26 -0.92 113.70 111.54 1iqw s SER 17 Ca 0.00 -0.87 -0.08 0.00 0.48 0.00 0.00 55.95 55.48 1iqw s SER 17 Cb 0.00 0.54 -0.00 0.00 0.10 0.00 0.00 66.02 66.66 1iqw s SER 17 CO 0.00 -1.06 0.17 0.68 0.98 0.00 0.00 173.24 174.01 1iqw s VAL 18 N -3.99 0.13 -0.32 5.02 -7.23 -0.62 -4.98 120.40 108.41 1iqw s VAL 18 Ca 0.20 -1.09 0.01 0.00 -1.81 0.00 0.00 61.98 59.29 1iqw s VAL 18 Cb 0.01 -1.12 0.08 0.00 0.56 0.00 0.00 36.38 35.90 1iqw s VAL 18 CO 0.05 -0.60 0.03 -0.75 -0.31 0.00 0.00 175.10 173.52 1iqw s LYS 19 N -3.18 2.03 0.14 4.82 2.20 -1.26 -0.84 119.74 123.65 1iqw s LYS 19 Ca -0.00 -1.57 -0.25 0.00 -0.36 0.00 0.00 55.97 53.79 1iqw s LYS 19 Cb 0.02 -3.20 -0.07 0.00 -1.51 0.00 0.00 37.83 33.07 1iqw s LYS 19 CO -0.07 -0.79 0.75 -0.51 -0.36 0.00 0.00 175.35 174.38 1iqw s LEU 20 N 1.09 4.57 0.19 5.43 1.43 0.64 -4.91 118.68 127.13 1iqw s LEU 20 Ca 0.01 1.58 0.09 0.00 -1.03 0.00 0.00 54.13 54.77 1iqw s LEU 20 Cb -0.20 -3.25 -0.04 0.00 0.03 0.00 0.00 46.19 42.73 1iqw s LEU 20 CO -0.05 0.18 -0.05 -0.94 0.23 0.00 0.00 176.35 175.72 1iqw s SER 21 N -0.96 4.44 -0.28 2.29 1.04 -1.26 -1.87 113.70 117.09 1iqw s SER 21 Ca 0.36 -0.54 0.01 0.00 0.48 0.00 0.00 55.95 56.25 1iqw s SER 21 Cb -0.22 -0.82 0.15 0.00 0.10 0.00 0.00 66.02 65.22 1iqw s SER 21 CO 0.25 0.08 0.37 0.00 0.98 0.00 0.00 173.24 174.92 1iqw s LYS 23 N 2.49 4.30 0.21 0.00 2.36 -0.21 -1.76 119.74 127.13 1iqw s LYS 23 Ca 0.10 0.75 0.02 0.00 -2.55 0.00 0.00 55.97 54.29 1iqw s LYS 23 Cb -0.13 -3.53 -0.04 0.00 -1.05 0.00 0.00 37.83 33.08 1iqw s LYS 23 CO -0.29 -0.14 0.37 0.00 1.55 0.00 0.00 175.35 176.84 1iqw s ALA 24 N 1.55 3.88 -0.02 3.13 0.00 -0.51 -0.77 121.76 129.01 1iqw s ALA 24 Ca 0.33 -0.99 -0.29 0.00 0.00 0.00 0.00 51.96 51.01 1iqw s ALA 24 Cb -0.16 -1.88 0.10 0.00 0.00 0.00 0.00 23.12 21.17 1iqw s ALA 24 CO 0.13 0.36 0.86 -1.54 0.00 0.00 0.00 175.76 175.57 1iqw s SER 25 N -3.48 -0.41 0.00 0.00 1.04 -0.66 -4.89 113.70 105.29 1iqw s SER 25 Ca 0.36 0.14 0.00 0.00 0.48 0.00 0.00 55.95 56.93 1iqw s SER 25 Cb -0.10 0.40 0.00 0.00 0.10 0.00 0.00 66.02 66.42 1iqw s SER 25 CO 0.30 -0.60 0.00 0.61 0.98 0.00 0.00 173.24 174.53 1iqw n GLY 26 N 0.03 0.75 3.61 7.32 0.00 -1.26 -1.53 105.19 114.11 1iqw n GLY 26 Ca -0.11 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.83 1iqw n GLY 26 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1iqw s TYR 27 N -2.74 -0.34 -0.72 1.61 -0.85 -1.26 -4.53 117.35 108.52 1iqw s TYR 27 Ca 0.00 0.06 -0.26 0.00 -0.52 0.00 0.00 57.07 56.35 1iqw s TYR 27 Cb 0.00 0.61 -0.03 0.00 0.38 0.00 0.00 41.96 42.92 1iqw s TYR 27 CO 0.00 -0.89 1.90 0.99 -1.52 0.00 0.00 175.55 176.04 1iqw s THR 28 N -3.59 3.38 0.23 -3.49 2.01 -1.26 -4.87 115.64 108.06 1iqw s THR 28 Ca 0.06 -0.01 -0.16 0.00 0.31 0.00 0.00 61.69 61.90 1iqw s THR 28 Cb -0.02 -3.95 0.27 0.00 0.01 0.00 0.00 72.50 68.81 1iqw s THR 28 CO -0.04 -0.91 1.56 0.15 -0.69 0.00 0.00 174.62 174.69 1iqw h PHE 29 N 13.69 -0.92 0.00 4.92 3.57 -1.97 0.89 116.94 137.12 1iqw h PHE 29 Ca -0.13 0.09 0.00 0.00 3.53 0.00 0.00 57.97 61.47 1iqw h PHE 29 Cb 1.11 0.54 0.00 0.00 2.79 0.00 0.00 35.95 40.38 1iqw h PHE 29 CO 1.11 -0.40 0.00 0.25 -2.23 0.00 0.00 178.31 177.04 1iqw n THR 30 N -5.50 0.91 0.85 4.41 -2.24 -1.26 -3.26 114.28 108.20 1iqw n THR 30 Ca 0.10 0.23 0.10 0.00 -2.27 0.00 0.00 64.05 62.21 1iqw n THR 30 Cb 0.41 -1.04 0.48 0.00 -2.10 0.00 0.00 70.33 68.09 1iqw n THR 30 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 1iqw n SER 31 N -1.76 0.00 -3.85 3.42 7.64 0.31 -4.27 113.62 115.12 1iqw n SER 31 Ca 0.03 0.25 -0.12 0.00 1.01 0.00 0.00 58.87 60.04 1iqw n SER 31 Cb 0.20 -0.39 -0.10 0.00 -1.01 0.00 0.00 64.21 62.90 1iqw n SER 31 CO 0.00 0.00 0.00 -0.31 -3.01 0.00 0.00 175.04 171.72 1iqw s TYR 32 N -2.79 -0.01 0.56 1.43 2.02 -1.20 -5.09 117.35 112.26 1iqw s TYR 32 Ca 0.15 -0.02 -0.18 0.00 -0.37 0.00 0.00 57.07 56.65 1iqw s TYR 32 Cb 0.14 -0.02 -0.05 0.00 -0.40 0.00 0.00 41.96 41.63 1iqw s TYR 32 CO 0.35 -0.29 1.06 -1.58 -1.57 0.00 0.00 175.55 173.53 1iqw s TRP 33 N -1.25 2.92 -0.15 2.71 0.52 -1.26 -4.48 118.94 117.95 1iqw s TRP 33 Ca -0.13 1.54 -0.03 0.00 0.02 0.00 0.00 56.10 57.50 1iqw s TRP 33 Cb -0.07 -3.08 -0.02 0.00 -1.15 0.00 0.00 33.47 29.15 1iqw s TRP 33 CO 0.02 -1.13 -0.06 1.41 0.02 0.00 0.00 176.95 177.21 1iqw s MET 34 N -3.70 3.58 0.10 4.98 1.75 -0.48 -1.70 119.30 123.84 1iqw s MET 34 Ca 0.66 -0.57 0.05 0.00 -1.25 0.00 0.00 55.69 54.58 1iqw s MET 34 Cb -0.17 -2.84 -0.04 0.00 2.84 0.00 0.00 34.83 34.61 1iqw s MET 34 CO 0.30 0.21 0.01 -0.65 -0.65 0.00 0.00 175.02 174.24 1iqw s GLN 35 N 0.42 2.57 -0.09 4.11 -1.52 0.13 -1.90 119.66 123.38 1iqw s GLN 35 Ca -0.06 -0.85 0.02 0.00 -1.95 0.00 0.00 55.36 52.52 1iqw s GLN 35 Cb -0.15 -2.54 0.01 0.00 -0.22 0.00 0.00 33.01 30.12 1iqw s GLN 35 CO 0.03 0.53 -0.14 -1.58 -0.25 0.00 0.00 175.29 173.88 1iqw s TRP 36 N -1.37 1.80 0.06 0.91 0.52 -0.97 0.57 118.94 120.46 1iqw s TRP 36 Ca 0.26 -0.78 0.07 0.00 0.02 0.00 0.00 56.10 55.67 1iqw s TRP 36 Cb -0.11 -1.30 -0.03 0.00 -1.15 0.00 0.00 33.47 30.87 1iqw s TRP 36 CO 0.19 -0.40 -0.19 0.08 0.02 0.00 0.00 176.95 176.65 1iqw s VAL 37 N 0.88 1.52 -0.10 4.03 1.01 0.14 -0.89 120.40 126.99 1iqw s VAL 37 Ca -0.10 -1.28 0.01 0.00 0.00 0.00 0.00 61.98 60.61 1iqw s VAL 37 Cb -0.15 -1.36 -0.02 0.00 0.00 0.00 0.00 36.38 34.85 1iqw s VAL 37 CO 0.01 0.04 -0.13 -0.75 0.00 0.00 0.00 175.10 174.26 1iqw s LYS 38 N -1.46 3.08 -0.17 2.72 2.20 0.20 -0.28 119.74 126.04 1iqw s LYS 38 Ca 0.05 -0.69 -0.01 0.00 -0.36 0.00 0.00 55.97 54.97 1iqw s LYS 38 Cb -0.09 -2.55 0.04 0.00 -1.51 0.00 0.00 37.83 33.73 1iqw s LYS 38 CO 0.03 0.36 -0.05 -1.14 -0.36 0.00 0.00 175.35 174.18 1iqw s GLN 39 N -0.03 1.40 -0.13 4.03 0.74 -0.27 0.15 119.66 125.56 1iqw s GLN 39 Ca -0.03 -0.52 -0.04 0.00 0.05 0.00 0.00 55.36 54.82 1iqw s GLN 39 Cb -0.14 -2.01 -0.03 0.00 1.10 0.00 0.00 33.01 31.93 1iqw s GLN 39 CO 0.04 -0.44 0.02 1.03 -0.55 0.00 0.00 175.29 175.39 1iqw s ARG 40 N 1.64 3.43 0.03 1.67 0.52 -1.12 -1.91 118.95 123.21 1iqw s ARG 40 Ca 0.01 -0.40 -0.35 0.00 -0.52 0.00 0.00 55.73 54.47 1iqw s ARG 40 Cb -0.15 -2.96 -0.13 0.00 0.52 0.00 0.00 34.95 32.23 1iqw s ARG 40 CO -0.08 0.50 1.68 -0.35 0.02 0.00 0.00 175.30 177.07 1iqw n PRO 41 N 2.80 2.00 0.00 3.54 -0.04 -1.26 -1.47 135.00 140.56 1iqw n PRO 41 Ca -0.18 0.73 0.00 0.00 -0.04 0.00 0.00 63.50 64.01 1iqw n PRO 41 Cb 0.53 -2.51 0.00 0.00 -0.04 0.00 0.00 33.50 31.48 1iqw n PRO 41 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1iqw n GLY 42 N 3.76 2.37 0.11 0.55 0.00 -1.26 -4.77 105.19 105.96 1iqw n GLY 42 Ca 0.20 -0.14 -0.15 0.00 0.00 0.00 0.00 46.02 45.93 1iqw n GLY 42 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 1iqw h GLN 43 N 0.00 0.27 0.00 1.61 4.15 -1.68 -3.50 115.11 115.96 1iqw h GLN 43 Ca 0.00 -0.23 0.00 0.00 0.77 0.00 0.00 58.65 59.19 1iqw h GLN 43 Cb 0.00 0.05 0.00 0.00 0.21 0.00 0.00 27.48 27.74 1iqw h GLN 43 CO 0.00 0.90 0.00 0.41 -1.93 0.00 0.00 178.83 178.21 1iqw n GLY 44 N 0.81 0.11 3.85 2.39 0.00 -0.88 -4.98 105.19 106.49 1iqw n GLY 44 Ca -0.09 -2.04 -0.34 0.00 0.00 0.00 0.00 46.02 43.55 1iqw n GLY 44 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1iqw s LEU 45 N 0.00 4.17 -0.02 0.99 1.43 -1.26 -2.78 118.68 121.20 1iqw s LEU 45 Ca 0.00 0.30 0.01 0.00 -1.03 0.00 0.00 54.13 53.41 1iqw s LEU 45 Cb 0.00 -2.33 0.02 0.00 0.03 0.00 0.00 46.19 43.91 1iqw s LEU 45 CO 0.00 0.31 -0.02 -0.70 0.23 0.00 0.00 176.35 176.17 1iqw s GLU 46 N -1.59 0.43 -0.14 1.70 2.12 0.12 -4.97 118.70 116.37 1iqw s GLU 46 Ca 0.22 -0.03 -0.23 0.00 0.36 0.00 0.00 54.97 55.29 1iqw s GLU 46 Cb -0.12 -0.51 -0.03 0.00 0.26 0.00 0.00 34.13 33.73 1iqw s GLU 46 CO 0.13 -0.05 0.71 -0.46 -0.54 0.00 0.00 175.26 175.05 1iqw s TRP 47 N 0.64 3.47 -0.21 5.30 -0.00 -1.26 0.61 118.94 127.49 1iqw s TRP 47 Ca -0.07 1.15 -0.21 0.00 -0.00 0.00 0.00 56.10 56.97 1iqw s TRP 47 Cb -0.10 -2.86 -0.19 0.00 -0.00 0.00 0.00 33.47 30.32 1iqw s TRP 47 CO -0.01 -0.08 0.19 -0.89 -0.00 0.00 0.00 176.95 176.16 1iqw n ILE 48 N 4.32 1.55 0.00 5.86 5.41 -0.06 -4.69 119.36 131.74 1iqw n ILE 48 Ca 0.00 -0.07 0.00 0.00 1.00 0.00 0.00 62.75 63.68 1iqw n ILE 48 Cb 0.50 -2.02 0.00 0.00 -0.71 0.00 0.00 39.64 37.41 1iqw n ILE 48 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1iqw n GLY 49 N 1.45 -0.62 3.18 7.39 0.00 -1.24 -1.19 105.19 114.16 1iqw n GLY 49 Ca -0.33 -1.11 -0.11 0.00 0.00 0.00 0.00 46.02 44.47 1iqw n GLY 49 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1iqw s GLU 50 N -2.00 0.90 -0.10 1.61 -1.05 0.38 -2.29 118.70 116.15 1iqw s GLU 50 Ca 0.00 -1.40 -0.08 0.00 -0.15 0.00 0.00 54.97 53.34 1iqw s GLU 50 Cb 0.00 -0.09 0.03 0.00 -0.44 0.00 0.00 34.13 33.63 1iqw s GLU 50 CO 0.00 -0.11 0.27 -1.50 0.95 0.00 0.00 175.26 174.87 1iqw s ILE 51 N -3.75 -0.01 -0.35 1.83 2.07 -0.80 -1.19 121.20 119.01 1iqw s ILE 51 Ca 0.17 0.03 -0.19 0.00 -1.41 0.00 0.00 60.65 59.25 1iqw s ILE 51 Cb 0.06 -0.38 -0.00 0.00 0.13 0.00 0.00 42.46 42.27 1iqw s ILE 51 CO -0.02 0.01 0.58 -0.62 -1.91 0.00 0.00 174.94 172.98 1iqw s ASP 52 N 0.41 6.38 0.53 4.50 -1.08 0.28 -1.38 116.67 126.31 1iqw s ASP 52 Ca -0.02 0.09 0.28 0.00 -0.52 0.00 0.00 52.55 52.38 1iqw s ASP 52 Cb -0.04 -2.30 1.49 0.00 -1.46 0.00 0.00 42.92 40.61 1iqw s ASP 52 CO -0.02 -0.53 2.08 -0.65 0.52 0.00 0.00 175.17 176.57 1iqw h PRO 53 N 8.44 0.00 -0.53 4.34 0.11 -1.84 0.51 132.00 143.03 1iqw h PRO 53 Ca -0.27 0.00 -0.08 0.00 0.11 0.00 0.00 66.00 65.76 1iqw h PRO 53 Cb 1.12 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.21 1iqw h PRO 53 CO 0.80 0.11 0.02 0.66 -0.21 0.00 0.00 178.00 179.38 1iqw h SER 54 N 0.00 0.85 0.00 -2.05 4.64 -1.92 -3.34 113.55 111.73 1iqw h SER 54 Ca -0.00 -0.21 0.00 0.00 -0.47 0.00 0.00 61.79 61.11 1iqw h SER 54 Cb 0.33 -0.23 0.00 0.00 -0.31 0.00 0.00 62.40 62.19 1iqw h SER 54 CO 0.01 0.90 0.00 -0.90 -0.87 0.00 0.00 176.83 175.97 1iqw n ASP 55 N -4.21 0.66 -1.02 4.97 3.85 -1.18 -5.02 116.55 114.61 1iqw n ASP 55 Ca 0.03 -1.15 -0.12 0.00 -0.71 0.00 0.00 54.79 52.84 1iqw n ASP 55 Cb 0.31 0.00 -0.04 0.00 -1.35 0.00 0.00 41.12 40.04 1iqw n ASP 55 CO 0.00 0.00 0.00 -1.20 -1.01 0.00 0.00 177.20 174.99 1iqw n SER 56 N -0.07 -4.22 -4.70 -1.12 7.64 0.18 -4.98 113.62 106.34 1iqw n SER 56 Ca 0.00 0.20 -0.42 0.00 1.01 0.00 0.00 58.87 59.66 1iqw n SER 56 Cb 0.19 -2.95 -0.03 0.00 -1.01 0.00 0.00 64.21 60.42 1iqw n SER 56 CO 0.00 0.00 0.00 -0.47 -3.01 0.00 0.00 175.04 171.56 1iqw s TYR 57 N -2.48 3.19 0.25 1.43 5.04 -1.16 -4.76 117.35 118.86 1iqw s TYR 57 Ca 0.00 1.04 0.09 0.00 -2.44 0.00 0.00 57.07 55.76 1iqw s TYR 57 Cb 0.00 -3.58 -0.04 0.00 0.35 0.00 0.00 41.96 38.69 1iqw s TYR 57 CO 0.00 -1.98 -0.03 0.95 -1.34 0.00 0.00 175.55 173.15 1iqw s THR 58 N 1.55 3.39 -0.08 4.34 -4.23 -1.26 -0.56 115.64 118.78 1iqw s THR 58 Ca 0.62 -1.86 -0.03 0.00 -1.18 0.00 0.00 61.69 59.23 1iqw s THR 58 Cb -0.32 -2.78 0.05 0.00 1.34 0.00 0.00 72.50 70.78 1iqw s THR 58 CO 0.28 -0.32 0.17 0.21 -0.54 0.00 0.00 174.62 174.42 1iqw s ASN 59 N -3.48 0.37 0.27 3.99 2.47 -0.33 -4.99 114.94 113.24 1iqw s ASN 59 Ca 0.30 0.35 0.10 0.00 0.42 0.00 0.00 52.86 54.04 1iqw s ASN 59 Cb -0.07 0.28 -0.05 0.00 -1.45 0.00 0.00 41.25 39.97 1iqw s ASN 59 CO 0.19 -0.21 -0.07 -0.31 -3.72 0.00 0.00 177.10 172.98 1iqw s TYR 60 N 1.87 2.56 -0.20 0.43 2.02 -1.26 -0.47 117.35 122.29 1iqw s TYR 60 Ca -0.02 -0.26 -0.23 0.00 -0.37 0.00 0.00 57.07 56.19 1iqw s TYR 60 Cb -0.12 -1.13 -0.02 0.00 -0.40 0.00 0.00 41.96 40.30 1iqw s TYR 60 CO -0.06 0.65 0.76 1.21 -1.57 0.00 0.00 175.55 176.54 1iqw s ASN 61 N -3.61 6.81 0.25 2.29 3.84 -0.33 -4.92 114.94 119.28 1iqw s ASN 61 Ca 0.31 1.00 0.03 0.00 0.21 0.00 0.00 52.86 54.41 1iqw s ASN 61 Cb -0.06 -2.41 0.65 0.00 -0.55 0.00 0.00 41.25 38.88 1iqw s ASN 61 CO 0.18 -0.39 1.26 1.67 -2.79 0.00 0.00 177.10 177.03 1iqw n GLN 62 N 5.43 -0.06 0.13 0.43 -0.06 -1.26 0.80 117.38 122.79 1iqw n GLN 62 Ca 0.03 1.20 0.19 0.00 -2.00 0.00 0.00 57.00 56.41 1iqw n GLN 62 Cb 0.49 -1.92 0.77 0.00 -4.06 0.00 0.00 30.24 25.51 1iqw n GLN 62 CO 0.00 0.00 0.00 -0.22 -0.20 0.00 0.00 177.06 176.64 1iqw h LYS 63 N 0.00 0.00 -0.13 3.69 1.63 -1.95 -2.08 116.57 117.73 1iqw h LYS 63 Ca 0.50 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 60.30 1iqw h LYS 63 Cb 1.07 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.70 1iqw h LYS 63 CO -0.75 0.00 0.00 1.19 -3.45 0.00 0.00 179.45 176.44 1iqw n PHE 64 N -3.86 0.16 -1.88 1.91 3.01 0.24 -4.93 117.46 112.12 1iqw n PHE 64 Ca 0.05 -0.18 -0.42 0.00 1.01 0.00 0.00 57.45 57.91 1iqw n PHE 64 Cb 0.49 -0.01 -0.03 0.00 -0.01 0.00 0.00 39.48 39.92 1iqw n PHE 64 CO 0.00 0.00 0.00 0.21 1.01 0.00 0.00 176.76 177.98 1iqw s LYS 65 N -0.93 3.19 0.00 -1.08 2.20 -0.78 -1.12 119.74 121.22 1iqw s LYS 65 Ca 0.16 1.54 0.00 0.00 -0.36 0.00 0.00 55.97 57.31 1iqw s LYS 65 Cb 0.10 -4.27 0.00 0.00 -1.51 0.00 0.00 37.83 32.15 1iqw s LYS 65 CO 0.14 -2.03 0.00 0.41 -0.36 0.00 0.00 175.35 173.51 1iqw n GLY 66 N 5.55 0.73 0.01 5.54 0.00 -1.26 -4.90 105.19 110.86 1iqw n GLY 66 Ca 0.25 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.26 1iqw n GLY 66 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1iqw n LYS 67 N -1.29 2.08 -5.09 1.61 4.81 -0.27 -4.88 118.16 115.12 1iqw n LYS 67 Ca 0.00 0.00 -0.29 0.00 -0.87 0.00 0.00 58.31 57.16 1iqw n LYS 67 Cb 0.00 -1.03 -0.16 0.00 0.02 0.00 0.00 35.03 33.86 1iqw n LYS 67 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1iqw s ALA 68 N -2.03 1.86 -0.10 3.14 0.00 -0.87 -1.38 121.76 122.38 1iqw s ALA 68 Ca -0.01 -0.93 0.02 0.00 0.00 0.00 0.00 51.96 51.04 1iqw s ALA 68 Cb 0.00 -0.53 0.01 0.00 0.00 0.00 0.00 23.12 22.61 1iqw s ALA 68 CO 0.05 0.41 -0.17 0.99 0.00 0.00 0.00 175.76 177.04 1iqw s THR 69 N -0.33 1.58 -0.11 0.00 2.01 -0.52 -4.85 115.64 113.42 1iqw s THR 69 Ca 0.03 -0.70 -0.03 0.00 0.31 0.00 0.00 61.69 61.30 1iqw s THR 69 Cb -0.10 -1.43 -0.03 0.00 0.01 0.00 0.00 72.50 70.95 1iqw s THR 69 CO 0.01 0.46 -0.00 -0.76 -0.69 0.00 0.00 174.62 173.63 1iqw s LEU 70 N 0.84 3.51 0.23 4.42 1.43 -1.26 -0.72 118.68 127.13 1iqw s LEU 70 Ca -0.09 0.07 -0.06 0.00 -1.03 0.00 0.00 54.13 53.01 1iqw s LEU 70 Cb -0.15 -1.82 -0.02 0.00 0.03 0.00 0.00 46.19 44.23 1iqw s LEU 70 CO 0.00 0.31 0.31 0.42 0.23 0.00 0.00 176.35 177.63 1iqw s THR 71 N -0.49 0.00 0.10 5.49 -4.23 -0.71 -5.00 115.64 110.81 1iqw s THR 71 Ca 0.08 -1.71 -0.10 0.00 -1.18 0.00 0.00 61.69 58.79 1iqw s THR 71 Cb -0.12 -2.37 0.00 0.00 1.34 0.00 0.00 72.50 71.35 1iqw s THR 71 CO 0.02 0.00 0.23 0.68 -0.54 0.00 0.00 174.62 175.01 1iqw s VAL 72 N -4.03 0.12 -0.47 2.29 -7.23 -1.26 0.48 120.40 110.30 1iqw s VAL 72 Ca 0.31 -1.15 0.03 0.00 -1.81 0.00 0.00 61.98 59.36 1iqw s VAL 72 Cb 0.03 -1.40 0.13 0.00 0.56 0.00 0.00 36.38 35.70 1iqw s VAL 72 CO 0.11 -0.56 0.25 -0.62 -0.31 0.00 0.00 175.10 173.98 1iqw s ASP 73 N -2.87 3.84 0.34 4.85 -1.08 0.13 -4.96 116.67 116.92 1iqw s ASP 73 Ca 0.07 -2.77 0.21 0.00 -0.52 0.00 0.00 52.55 49.54 1iqw s ASP 73 Cb 0.04 -1.21 1.14 0.00 -1.46 0.00 0.00 42.92 41.43 1iqw s ASP 73 CO -0.09 -0.25 1.62 0.71 0.52 0.00 0.00 175.17 177.68 1iqw h THR 74 N 5.29 0.00 0.07 1.71 1.35 -1.89 0.11 112.91 119.56 1iqw h THR 74 Ca -0.02 0.00 -0.21 0.00 -0.55 0.00 0.00 66.41 65.62 1iqw h THR 74 Cb 0.91 0.46 0.02 0.00 -1.73 0.00 0.00 68.15 67.82 1iqw h THR 74 CO 0.55 0.00 -0.87 -1.28 -0.25 0.00 0.00 175.52 173.66 1iqw h SER 75 N 0.00 0.65 -0.19 5.36 0.87 -1.94 -3.34 113.55 114.96 1iqw h SER 75 Ca 0.00 -0.82 0.00 0.00 -1.23 0.00 0.00 61.79 59.74 1iqw h SER 75 Cb 0.11 -0.20 0.00 0.00 -0.44 0.00 0.00 62.40 61.87 1iqw h SER 75 CO 0.00 1.40 0.00 -1.54 -0.53 0.00 0.00 176.83 176.16 1iqw n SER 76 N -4.05 2.98 -2.86 6.23 3.41 -0.62 -4.98 113.62 113.74 1iqw n SER 76 Ca -0.12 -1.90 -0.20 0.00 -0.26 0.00 0.00 58.87 56.39 1iqw n SER 76 Cb 0.82 -0.11 0.05 0.00 -0.26 0.00 0.00 64.21 64.70 1iqw n SER 76 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1iqw n SER 77 N 1.22 -5.58 -4.41 4.04 7.64 0.30 -4.82 113.62 112.00 1iqw n SER 77 Ca 0.15 -0.36 -0.31 0.00 1.01 0.00 0.00 58.87 59.36 1iqw n SER 77 Cb 0.53 -4.30 -0.14 0.00 -1.01 0.00 0.00 64.21 59.30 1iqw n SER 77 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 1iqw s THR 78 N -3.18 2.60 0.10 0.44 2.01 -1.08 -1.43 115.64 115.09 1iqw s THR 78 Ca 0.39 -1.09 0.07 0.00 0.31 0.00 0.00 61.69 61.37 1iqw s THR 78 Cb -0.17 -2.02 -0.04 0.00 0.01 0.00 0.00 72.50 70.28 1iqw s THR 78 CO 0.48 0.46 -0.12 0.00 -0.69 0.00 0.00 174.62 174.74 1iqw s ALA 79 N -0.79 2.88 0.09 7.40 0.00 -0.72 0.22 121.76 130.83 1iqw s ALA 79 Ca 0.12 -1.26 0.03 0.00 0.00 0.00 0.00 51.96 50.85 1iqw s ALA 79 Cb -0.10 -0.83 -0.04 0.00 0.00 0.00 0.00 23.12 22.14 1iqw s ALA 79 CO 0.02 0.63 -0.08 0.71 0.00 0.00 0.00 175.76 177.04 1iqw s TYR 80 N -1.18 0.93 -0.09 0.00 2.02 0.18 -1.91 117.35 117.29 1iqw s TYR 80 Ca 0.20 -0.74 -0.04 0.00 -0.37 0.00 0.00 57.07 56.12 1iqw s TYR 80 Cb -0.11 -0.53 0.05 0.00 -0.40 0.00 0.00 41.96 40.97 1iqw s TYR 80 CO 0.12 -0.07 0.20 1.41 -1.57 0.00 0.00 175.55 175.64 1iqw s MET 81 N -3.06 0.11 -0.13 -0.62 -2.45 -0.78 -1.74 119.30 110.63 1iqw s MET 81 Ca 0.06 0.55 -0.05 0.00 -1.25 0.00 0.00 55.69 55.00 1iqw s MET 81 Cb -0.00 -0.16 -0.04 0.00 1.25 0.00 0.00 34.83 35.88 1iqw s MET 81 CO -0.02 -0.24 0.05 -0.65 1.05 0.00 0.00 175.02 175.21 1iqw s GLN 82 N 1.82 3.43 -0.13 4.11 -0.21 0.10 -0.26 119.66 128.52 1iqw s GLN 82 Ca -0.03 -0.34 0.02 0.00 0.02 0.00 0.00 55.36 55.03 1iqw s GLN 82 Cb -0.12 -3.01 -0.00 0.00 1.00 0.00 0.00 33.01 30.88 1iqw s GLN 82 CO -0.07 0.56 -0.18 -0.51 -2.12 0.00 0.00 175.29 172.96 1iqw s LEU 83 N -0.45 2.35 0.19 2.90 1.43 -0.02 -1.44 118.68 123.63 1iqw s LEU 83 Ca 0.09 -0.50 0.08 0.00 -1.03 0.00 0.00 54.13 52.78 1iqw s LEU 83 Cb -0.12 -1.51 -0.04 0.00 0.03 0.00 0.00 46.19 44.55 1iqw s LEU 83 CO 0.02 0.11 -0.02 -0.94 0.23 0.00 0.00 176.35 175.76 1iqw s SER 84 N 0.63 4.63 -1.26 2.29 1.04 -0.48 -1.59 113.70 118.97 1iqw s SER 84 Ca -0.10 -0.47 -0.19 0.00 0.48 0.00 0.00 55.95 55.67 1iqw s SER 84 Cb -0.16 -0.93 0.01 0.00 0.10 0.00 0.00 66.02 65.04 1iqw s SER 84 CO 0.03 0.08 0.60 -1.54 0.98 0.00 0.00 173.24 173.39 1iqw n SER 85 N -0.21 -3.29 -4.76 7.02 3.41 -0.75 -4.88 113.62 110.16 1iqw n SER 85 Ca -0.09 -1.13 -0.39 0.00 -0.26 0.00 0.00 58.87 57.00 1iqw n SER 85 Cb 0.56 -2.61 0.02 0.00 -0.26 0.00 0.00 64.21 61.91 1iqw n SER 85 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1iqw s LEU 86 N -6.97 4.02 0.22 1.04 1.43 -0.10 -4.64 118.68 113.68 1iqw s LEU 86 Ca 0.34 2.69 0.04 0.00 -1.03 0.00 0.00 54.13 56.16 1iqw s LEU 86 Cb -0.15 -4.11 -0.05 0.00 0.03 0.00 0.00 46.19 41.91 1iqw s LEU 86 CO 0.92 -1.20 -0.02 -0.89 0.23 0.00 0.00 176.35 175.38 1iqw s THR 87 N -1.32 1.07 0.35 5.49 2.01 -1.26 0.15 115.64 122.14 1iqw s THR 87 Ca 0.64 -2.04 0.14 0.00 0.31 0.00 0.00 61.69 60.74 1iqw s THR 87 Cb -0.38 -2.27 0.35 0.00 0.01 0.00 0.00 72.50 70.20 1iqw s THR 87 CO 0.47 -0.39 1.72 0.77 -0.69 0.00 0.00 174.62 176.51 1iqw h SER 88 N 2.51 0.56 0.19 3.53 4.64 -1.97 0.58 113.55 123.60 1iqw h SER 88 Ca -0.38 0.13 0.00 0.00 -0.47 0.00 0.00 61.79 61.07 1iqw h SER 88 Cb 1.22 0.05 0.00 0.00 -0.31 0.00 0.00 62.40 63.36 1iqw h SER 88 CO 0.64 0.05 0.00 -1.84 -0.87 0.00 0.00 176.83 174.81 1iqw n GLU 89 N -4.82 0.15 0.00 4.77 0.28 -1.26 -1.45 120.64 118.31 1iqw n GLU 89 Ca 0.28 0.58 0.14 0.00 -0.16 0.00 0.00 57.16 58.00 1iqw n GLU 89 Cb 0.86 -1.94 0.51 0.00 1.43 0.00 0.00 31.44 32.30 1iqw n GLU 89 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 177.13 176.72 1iqw n ASP 90 N -2.26 0.65 -4.71 -1.84 10.43 0.20 -4.87 116.55 114.16 1iqw n ASP 90 Ca -0.01 -0.63 -0.42 0.00 2.57 0.00 0.00 54.79 56.31 1iqw n ASP 90 Cb 0.08 0.00 -0.03 0.00 1.84 0.00 0.00 41.12 43.02 1iqw n ASP 90 CO 0.00 0.00 0.00 -0.44 -1.07 0.00 0.00 177.20 175.69 1iqw s SER 91 N -2.53 6.66 0.00 -2.24 0.01 -0.53 -4.92 113.70 110.16 1iqw s SER 91 Ca 0.26 2.48 0.00 0.00 1.31 0.00 0.00 55.95 60.00 1iqw s SER 91 Cb 0.20 -2.58 0.00 0.00 0.21 0.00 0.00 66.02 63.84 1iqw s SER 91 CO 0.50 -0.79 0.00 0.00 0.41 0.00 0.00 173.24 173.36 1iqw n ALA 92 N 4.50 0.00 -2.87 1.44 0.00 -0.57 -4.85 120.51 118.16 1iqw n ALA 92 Ca 0.14 0.00 -0.35 0.00 0.00 0.00 0.00 53.44 53.23 1iqw n ALA 92 Cb 0.40 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.75 1iqw n ALA 92 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1iqw s VAL 93 N -2.54 4.60 -0.18 0.00 1.01 -0.80 -0.39 120.40 122.09 1iqw s VAL 93 Ca 0.00 -0.10 -0.03 0.00 0.00 0.00 0.00 61.98 61.86 1iqw s VAL 93 Cb 0.00 -3.08 -0.01 0.00 0.00 0.00 0.00 36.38 33.29 1iqw s VAL 93 CO 0.00 0.44 -0.07 -0.31 0.00 0.00 0.00 175.10 175.16 1iqw s TYR 94 N 0.57 2.92 0.01 5.22 1.51 -0.38 -1.11 117.35 126.09 1iqw s TYR 94 Ca 0.02 -0.76 0.04 0.00 -1.01 0.00 0.00 57.07 55.36 1iqw s TYR 94 Cb -0.13 -1.99 -0.03 0.00 -0.11 0.00 0.00 41.96 39.69 1iqw s TYR 94 CO 0.01 -0.36 -0.08 0.71 -1.11 0.00 0.00 175.55 174.73 1iqw s TYR 95 N 0.94 2.86 -0.04 2.71 1.51 0.62 -1.94 117.35 124.00 1iqw s TYR 95 Ca -0.01 -0.06 0.02 0.00 -1.01 0.00 0.00 57.07 56.01 1iqw s TYR 95 Cb -0.15 -1.60 -0.03 0.00 -0.11 0.00 0.00 41.96 40.08 1iqw s TYR 95 CO 0.00 0.36 -0.07 0.00 -1.11 0.00 0.00 175.55 174.73 1iqw s ALA 97 N -0.86 -0.32 0.16 0.00 0.00 0.19 -1.13 121.76 119.80 1iqw s ALA 97 Ca 0.14 0.11 -0.30 0.00 0.00 0.00 0.00 51.96 51.91 1iqw s ALA 97 Cb -0.11 -0.06 -0.07 0.00 0.00 0.00 0.00 23.12 22.88 1iqw s ALA 97 CO 0.03 -0.14 0.99 0.50 0.00 0.00 0.00 175.76 177.15 1iqw s ARG 98 N -0.66 4.71 0.22 0.00 3.52 -0.44 0.21 118.95 126.51 1iqw s ARG 98 Ca -0.07 1.53 -0.00 0.00 -0.13 0.00 0.00 55.73 57.05 1iqw s ARG 98 Cb -0.04 -3.33 -0.04 0.00 -1.56 0.00 0.00 34.95 29.98 1iqw s ARG 98 CO 0.01 0.25 0.42 1.21 -0.81 0.00 0.00 175.30 176.38 1iqw s ASN 99 N -0.32 6.38 -0.02 -2.12 2.47 -0.69 -2.46 114.94 118.18 1iqw s ASN 99 Ca 0.46 0.40 -0.05 0.00 0.42 0.00 0.00 52.86 54.09 1iqw s ASN 99 Cb -0.26 -2.01 0.00 0.00 -1.45 0.00 0.00 41.25 37.54 1iqw s ASN 99 CO 0.32 -0.08 0.12 -0.13 -3.72 0.00 0.00 177.10 173.60 1iqw s ARG 100 N -3.49 0.33 -0.19 0.43 0.52 -0.13 -4.45 118.95 111.97 1iqw s ARG 100 Ca 0.39 -0.18 -0.03 0.00 -0.52 0.00 0.00 55.73 55.38 1iqw s ARG 100 Cb -0.11 0.14 -0.02 0.00 0.52 0.00 0.00 34.95 35.49 1iqw s ARG 100 CO 0.30 -0.07 -0.05 0.34 0.02 0.00 0.00 175.30 175.84 1iqw s ASP 101 N -0.79 4.42 -0.26 0.23 -1.08 -1.26 -2.05 116.67 115.88 1iqw s ASP 101 Ca -0.09 -0.30 -0.01 0.00 -0.52 0.00 0.00 52.55 51.64 1iqw s ASP 101 Cb -0.05 -1.73 0.08 0.00 -1.46 0.00 0.00 42.92 39.75 1iqw s ASP 101 CO 0.01 0.07 0.03 -0.47 0.52 0.00 0.00 175.17 175.32 1iqw s TYR 102 N 0.95 1.86 -1.51 -5.34 6.14 0.13 -4.81 117.35 114.78 1iqw s TYR 102 Ca -0.00 -1.57 -0.11 0.00 0.64 0.00 0.00 57.07 56.03 1iqw s TYR 102 Cb -0.15 -1.56 0.07 0.00 0.42 0.00 0.00 41.96 40.75 1iqw s TYR 102 CO 0.01 -0.77 0.84 0.45 0.64 0.00 0.00 175.55 176.71 1iqw n SER 103 N 4.81 -3.42 0.00 4.32 2.88 -1.26 -0.22 113.62 120.73 1iqw n SER 103 Ca -0.07 -0.85 0.00 0.00 -1.33 0.00 0.00 58.87 56.63 1iqw n SER 103 Cb 0.44 -3.65 0.00 0.00 -0.75 0.00 0.00 64.21 60.25 1iqw n SER 103 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40 1iqw n ASN 104 N -2.86 0.00 -4.65 -3.46 3.02 -1.26 -4.99 115.26 101.06 1iqw n ASN 104 Ca -0.05 0.00 -0.40 0.00 -0.03 0.00 0.00 54.58 54.09 1iqw n ASN 104 Cb 0.57 -0.01 -0.06 0.00 -0.61 0.00 0.00 39.78 39.67 1iqw n ASN 104 CO 0.00 0.00 0.00 0.21 -2.62 0.00 0.00 177.26 174.85 1iqw s ASN 105 N -3.99 6.67 -0.13 6.41 2.47 0.69 -5.05 114.94 122.01 1iqw s ASN 105 Ca 0.00 0.81 -0.12 0.00 0.42 0.00 0.00 52.86 53.98 1iqw s ASN 105 Cb 0.00 -2.35 -0.05 0.00 -1.45 0.00 0.00 41.25 37.40 1iqw s ASN 105 CO 0.00 -0.33 0.25 0.26 -3.72 0.00 0.00 177.10 173.56 1iqw s TRP 106 N 2.22 3.52 0.04 0.43 0.52 -1.26 -0.69 118.94 123.72 1iqw s TRP 106 Ca 0.29 0.60 -0.06 0.00 0.02 0.00 0.00 56.10 56.94 1iqw s TRP 106 Cb -0.16 -2.21 -0.01 0.00 -1.15 0.00 0.00 33.47 29.94 1iqw s TRP 106 CO 0.09 0.42 0.11 1.52 0.02 0.00 0.00 176.95 179.11 1iqw s TYR 107 N -0.12 0.19 -0.32 -1.98 -0.85 -0.87 -4.97 117.35 108.42 1iqw s TYR 107 Ca 0.16 -0.49 -0.11 0.00 -0.52 0.00 0.00 57.07 56.11 1iqw s TYR 107 Cb -0.13 -0.13 -0.01 0.00 0.38 0.00 0.00 41.96 42.07 1iqw s TYR 107 CO 0.04 -0.38 0.18 -0.06 -1.52 0.00 0.00 175.55 173.82 1iqw s PHE 108 N -2.66 3.20 -0.13 -3.49 0.08 -1.26 -0.96 117.98 112.75 1iqw s PHE 108 Ca -0.04 -0.41 0.22 0.00 0.12 0.00 0.00 56.93 56.82 1iqw s PHE 108 Cb -0.01 -2.40 -0.17 0.00 -0.57 0.00 0.00 43.02 39.87 1iqw s PHE 108 CO -0.05 -0.41 0.75 -0.40 -0.10 0.00 0.00 175.22 175.02 1iqw n ASP 109 N 5.03 0.42 -3.96 1.36 3.85 -1.03 -4.90 116.55 117.33 1iqw n ASP 109 Ca -0.13 0.16 -0.21 0.00 -0.71 0.00 0.00 54.79 53.90 1iqw n ASP 109 Cb 0.49 1.21 -0.16 0.00 -1.35 0.00 0.00 41.12 41.31 1iqw n ASP 109 CO 0.00 0.00 0.00 -0.69 -1.01 0.00 0.00 177.20 175.50 1iqw s VAL 110 N -3.42 0.75 0.14 2.12 1.01 -1.26 -5.02 120.40 114.72 1iqw s VAL 110 Ca -0.04 -0.28 0.09 0.00 0.00 0.00 0.00 61.98 61.75 1iqw s VAL 110 Cb 0.12 -0.71 -0.04 0.00 0.00 0.00 0.00 36.38 35.75 1iqw s VAL 110 CO 0.85 0.26 -0.17 0.26 0.00 0.00 0.00 175.10 176.30 1iqw s TRP 111 N 0.60 2.52 0.76 5.22 0.52 -1.26 -1.33 118.94 125.98 1iqw s TRP 111 Ca -0.10 -0.27 -0.12 0.00 0.02 0.00 0.00 56.10 55.64 1iqw s TRP 111 Cb -0.13 -1.31 0.05 0.00 -1.15 0.00 0.00 33.47 30.93 1iqw s TRP 111 CO 0.01 0.42 1.13 0.20 0.02 0.00 0.00 176.95 178.74 1iqw s GLY 112 N -2.34 1.61 0.36 0.98 0.00 -0.28 -4.67 107.32 102.98 1iqw s GLY 112 Ca 0.20 -0.47 0.26 0.00 0.00 0.00 0.00 44.72 44.71 1iqw s GLY 112 CO 0.11 -0.04 1.79 -0.91 0.00 0.00 0.00 173.10 174.06 1iqw h THR 113 N -0.89 0.00 0.00 0.90 1.35 -1.88 -3.45 112.91 108.94 1iqw h THR 113 Ca -0.46 -0.16 0.00 0.00 -0.55 0.00 0.00 66.41 65.24 1iqw h THR 113 Cb 1.29 0.86 0.00 0.00 -1.73 0.00 0.00 68.15 68.57 1iqw h THR 113 CO 0.64 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 176.52 1iqw n GLY 114 N -0.56 -1.54 3.04 5.82 0.00 -1.26 -5.00 105.19 105.68 1iqw n GLY 114 Ca 0.00 -1.39 -0.29 0.00 0.00 0.00 0.00 46.02 44.33 1iqw n GLY 114 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1iqw s THR 115 N -3.26 1.54 -0.39 2.61 2.01 -0.82 -4.55 115.64 112.77 1iqw s THR 115 Ca 0.00 -0.64 -0.25 0.00 0.31 0.00 0.00 61.69 61.11 1iqw s THR 115 Cb 0.00 -1.43 0.02 0.00 0.01 0.00 0.00 72.50 71.10 1iqw s THR 115 CO 0.00 0.45 0.91 -0.89 -0.69 0.00 0.00 174.62 174.40 1iqw s THR 116 N 1.26 4.56 -0.18 -0.82 2.01 -0.10 -1.24 115.64 121.13 1iqw s THR 116 Ca -0.00 1.04 -0.05 0.00 0.31 0.00 0.00 61.69 62.98 1iqw s THR 116 Cb -0.14 -4.35 -0.03 0.00 0.01 0.00 0.00 72.50 67.99 1iqw s THR 116 CO -0.06 -0.61 0.01 -0.69 -0.69 0.00 0.00 174.62 172.57 1iqw s VAL 117 N 3.53 4.24 -0.12 3.82 1.01 0.48 -1.00 120.40 132.36 1iqw s VAL 117 Ca 0.37 -0.23 0.02 0.00 0.00 0.00 0.00 61.98 62.15 1iqw s VAL 117 Cb -0.11 -2.90 0.01 0.00 0.00 0.00 0.00 36.38 33.38 1iqw s VAL 117 CO 0.21 0.46 -0.18 -0.89 0.00 0.00 0.00 175.10 174.70 1iqw s THR 118 N 0.54 1.74 -0.30 3.92 2.01 0.11 -1.51 115.64 122.16 1iqw s THR 118 Ca -0.00 -0.79 -0.11 0.00 0.31 0.00 0.00 61.69 61.09 1iqw s THR 118 Cb -0.14 -1.57 -0.03 0.00 0.01 0.00 0.00 72.50 70.77 1iqw s THR 118 CO 0.02 0.49 0.19 -0.69 -0.69 0.00 0.00 174.62 173.94 1iqw s VAL 119 N 0.90 5.15 -0.14 3.82 1.01 -1.26 -0.58 120.40 129.30 1iqw s VAL 119 Ca -0.07 -0.04 -0.30 0.00 0.00 0.00 0.00 61.98 61.57 1iqw s VAL 119 Cb -0.15 -3.53 0.13 0.00 0.00 0.00 0.00 36.38 32.83 1iqw s VAL 119 CO -0.01 0.16 1.01 -0.55 0.00 0.00 0.00 175.10 175.71 1iqw s SER 120 N 1.72 -0.33 0.00 3.32 0.15 0.19 -4.72 113.70 114.03 1iqw s SER 120 Ca 0.06 0.27 0.26 0.00 0.70 0.00 0.00 55.95 57.25 1iqw s SER 120 Cb -0.16 0.29 0.76 0.00 -1.71 0.00 0.00 66.02 65.19 1iqw s SER 120 CO 0.10 -0.37 1.59 -1.54 1.20 0.00 0.00 173.24 174.22 1iqw n SER 121 N 0.46 0.42 -4.75 5.45 3.41 -1.26 -4.01 113.62 113.34 1iqw n SER 121 Ca -0.08 -0.15 -0.36 0.00 -0.26 0.00 0.00 58.87 58.02 1iqw n SER 121 Cb 0.59 0.04 0.05 0.00 -0.26 0.00 0.00 64.21 64.62 1iqw n SER 121 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1iqw s ALA 122 N -2.92 2.45 0.22 7.33 0.00 -1.26 -5.02 121.76 122.56 1iqw s ALA 122 Ca 0.14 0.98 -0.03 0.00 0.00 0.00 0.00 51.96 53.06 1iqw s ALA 122 Cb 0.18 -3.46 -0.05 0.00 0.00 0.00 0.00 23.12 19.80 1iqw s ALA 122 CO 0.63 -1.34 0.44 -1.59 0.00 0.00 0.00 175.76 173.90 1iqw s LYS 123 N -3.48 3.57 0.30 0.00 -2.85 -1.26 -5.03 119.74 110.98 1iqw s LYS 123 Ca 0.77 -0.20 -0.30 0.00 -1.00 0.00 0.00 55.97 55.24 1iqw s LYS 123 Cb -0.30 -2.78 -0.11 0.00 -2.06 0.00 0.00 37.83 32.58 1iqw s LYS 123 CO 0.36 0.35 1.50 0.99 0.10 0.00 0.00 175.35 178.65 1iqw s THR 124 N -1.92 2.31 -0.18 3.79 2.01 -1.26 -4.84 115.64 115.54 1iqw s THR 124 Ca 0.41 0.27 -0.02 0.00 0.31 0.00 0.00 61.69 62.65 1iqw s THR 124 Cb -0.11 -3.17 0.06 0.00 0.01 0.00 0.00 72.50 69.28 1iqw s THR 124 CO 0.29 0.05 0.02 -0.89 -0.69 0.00 0.00 174.62 173.40 1iqw s THR 125 N -0.31 0.60 0.66 -0.82 2.01 0.27 -4.96 115.64 113.09 1iqw s THR 125 Ca 0.59 -0.54 -0.16 0.00 0.31 0.00 0.00 61.69 61.89 1iqw s THR 125 Cb -0.45 -1.05 0.00 0.00 0.01 0.00 0.00 72.50 71.02 1iqw s THR 125 CO 0.50 -0.14 1.19 -2.84 -0.69 0.00 0.00 174.62 172.64 1iqw s PRO 126 N 1.83 2.60 0.69 4.92 0.02 -1.26 -1.58 135.00 142.22 1iqw s PRO 126 Ca -0.01 1.71 -0.11 0.00 0.02 0.00 0.00 61.00 62.62 1iqw s PRO 126 Cb -0.17 -1.89 0.01 0.00 0.02 0.00 0.00 34.50 32.47 1iqw s PRO 126 CO -0.08 -1.47 1.06 -1.25 -0.33 0.00 0.00 177.00 174.94 1iqw s PRO 127 N -3.71 2.95 -0.22 5.54 0.04 -1.26 -4.53 135.00 133.81 1iqw s PRO 127 Ca 0.74 0.81 -0.06 0.00 0.04 0.00 0.00 61.00 62.53 1iqw s PRO 127 Cb -0.28 -2.00 -0.03 0.00 0.04 0.00 0.00 34.50 32.23 1iqw s PRO 127 CO 0.40 -1.05 0.02 -1.12 0.04 0.00 0.00 177.00 175.29 1iqw s SER 128 N -3.95 4.95 -0.17 6.66 0.01 0.06 -4.92 113.70 116.34 1iqw s SER 128 Ca 0.58 -0.20 -0.05 0.00 1.31 0.00 0.00 55.95 57.59 1iqw s SER 128 Cb -0.13 -1.86 -0.03 0.00 0.21 0.00 0.00 66.02 64.21 1iqw s SER 128 CO 0.54 0.03 -0.00 -0.69 0.41 0.00 0.00 173.24 173.53 1iqw s VAL 129 N 1.19 4.14 -0.01 3.43 1.01 -1.26 -0.59 120.40 128.32 1iqw s VAL 129 Ca 0.04 -0.26 0.05 0.00 0.00 0.00 0.00 61.98 61.80 1iqw s VAL 129 Cb -0.14 -2.84 -0.01 0.00 0.00 0.00 0.00 36.38 33.38 1iqw s VAL 129 CO 0.02 0.47 -0.14 -0.31 0.00 0.00 0.00 175.10 175.13 1iqw s TYR 130 N 0.51 1.29 0.18 5.22 2.02 0.45 -4.97 117.35 122.06 1iqw s TYR 130 Ca -0.01 -0.25 -0.26 0.00 -0.37 0.00 0.00 57.07 56.17 1iqw s TYR 130 Cb -0.14 -0.83 -0.08 0.00 -0.40 0.00 0.00 41.96 40.51 1iqw s TYR 130 CO 0.02 -0.02 0.82 -1.25 -1.57 0.00 0.00 175.55 173.55 1iqw s PRO 131 N -0.41 4.64 -0.42 -1.71 0.04 -1.26 -0.04 135.00 135.84 1iqw s PRO 131 Ca 0.05 1.24 -0.02 0.00 0.04 0.00 0.00 61.00 62.31 1iqw s PRO 131 Cb -0.06 -3.27 0.11 0.00 0.04 0.00 0.00 34.50 31.33 1iqw s PRO 131 CO -0.00 0.55 0.21 -0.51 0.04 0.00 0.00 177.00 177.29 1iqw s LEU 132 N -1.13 5.22 -0.06 -3.56 1.43 0.10 -4.89 118.68 115.78 1iqw s LEU 132 Ca 0.37 -2.09 -0.02 0.00 -1.03 0.00 0.00 54.13 51.36 1iqw s LEU 132 Cb -0.24 -1.82 -0.04 0.00 0.03 0.00 0.00 46.19 44.13 1iqw s LEU 132 CO 0.28 -0.52 0.07 0.00 0.23 0.00 0.00 176.35 176.40 1iqw s ALA 133 N 1.05 3.56 0.03 4.21 0.00 -1.26 -1.58 121.76 127.78 1iqw s ALA 133 Ca 0.09 -0.79 -0.19 0.00 0.00 0.00 0.00 51.96 51.07 1iqw s ALA 133 Cb -0.22 -1.65 -0.10 0.00 0.00 0.00 0.00 23.12 21.15 1iqw s ALA 133 CO -0.04 0.64 1.29 -1.00 0.00 0.00 0.00 175.76 176.64 1iqw h PRO 134 N 4.66 -0.64 -1.98 0.00 0.13 -1.94 -3.46 132.00 128.76 1iqw h PRO 134 Ca -0.51 0.04 -0.15 0.00 -0.87 0.00 0.00 66.00 64.51 1iqw h PRO 134 Cb 1.20 0.15 0.02 0.00 0.13 0.00 0.00 31.00 32.49 1iqw h PRO 134 CO 0.59 -0.43 -0.23 0.41 -0.23 0.00 0.00 178.00 178.11 1iqw n GLY 135 N -1.33 0.22 0.00 1.56 0.00 -1.26 -4.92 105.19 99.46 1iqw n GLY 135 Ca -0.08 -0.44 0.00 0.00 0.00 0.00 0.00 46.02 45.50 1iqw n GLY 135 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1iqw n SER 136 N 0.14 0.00 0.00 1.61 3.41 -1.26 -4.88 113.62 112.64 1iqw n SER 136 Ca -0.04 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.57 1iqw n SER 136 Cb 0.55 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.50 1iqw n SER 136 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1iqw n ALA 137 N -0.20 0.00 -2.59 7.33 0.00 -1.26 -5.03 120.51 118.76 1iqw n ALA 137 Ca 0.00 0.00 0.02 0.00 0.00 0.00 0.00 53.44 53.46 1iqw n ALA 137 Cb 0.00 0.00 0.03 0.00 0.00 0.00 0.00 19.45 19.48 1iqw n ALA 137 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1iqw n ALA 138 N -0.39 2.47 -3.32 0.00 0.00 -1.26 -4.95 120.51 113.06 1iqw n ALA 138 Ca 0.00 -2.42 -0.24 0.00 0.00 0.00 0.00 53.44 50.79 1iqw n ALA 138 Cb 0.00 -0.77 0.02 0.00 0.00 0.00 0.00 19.45 18.69 1iqw n ALA 138 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1iqw n GLN 139 N 0.12 -4.33 -0.13 0.00 3.00 -1.26 -4.86 117.38 109.92 1iqw n GLN 139 Ca 0.05 0.65 0.12 0.00 -0.01 0.00 0.00 57.00 57.81 1iqw n GLN 139 Cb 1.03 -5.45 0.23 0.00 0.00 0.00 0.00 30.24 26.04 1iqw n GLN 139 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.06 174.69 1iqw n THR 140 N -4.27 0.35 -3.81 5.09 5.66 -1.26 -4.98 114.28 111.07 1iqw n THR 140 Ca -0.04 -0.63 -0.10 0.00 -3.05 0.00 0.00 64.05 60.23 1iqw n THR 140 Cb 0.57 0.98 -0.07 0.00 -1.55 0.00 0.00 70.33 70.26 1iqw n THR 140 CO 0.00 0.00 0.00 0.21 -3.05 0.00 0.00 175.07 172.23 1iqw s ASN 141 N -1.61 0.01 -0.03 1.09 3.04 -1.26 -5.04 114.94 111.14 1iqw s ASN 141 Ca 0.36 -0.45 0.21 0.00 0.04 0.00 0.00 52.86 53.02 1iqw s ASN 141 Cb 0.22 0.35 -0.33 0.00 -1.54 0.00 0.00 41.25 39.94 1iqw s ASN 141 CO 0.31 -0.68 0.47 -1.54 -3.04 0.00 0.00 177.10 172.61 1iqw n SER 142 N 0.22 0.15 -4.61 -4.21 3.41 -1.26 -4.92 113.62 102.39 1iqw n SER 142 Ca -0.17 0.00 -0.28 0.00 -0.26 0.00 0.00 58.87 58.16 1iqw n SER 142 Cb 0.61 1.97 -0.09 0.00 -0.26 0.00 0.00 64.21 66.44 1iqw n SER 142 CO 0.00 0.00 0.00 -0.04 -0.16 0.00 0.00 175.04 174.84 1iqw s MET 143 N -3.47 2.22 -0.02 4.33 -1.94 -1.26 -1.58 119.30 117.57 1iqw s MET 143 Ca -0.08 -1.08 0.04 0.00 -1.71 0.00 0.00 55.69 52.85 1iqw s MET 143 Cb 0.14 -2.31 -0.00 0.00 2.01 0.00 0.00 34.83 34.67 1iqw s MET 143 CO 0.88 0.48 -0.13 0.08 -0.01 0.00 0.00 175.02 176.33 1iqw s VAL 144 N -1.46 1.04 -0.21 -6.03 1.01 0.83 -4.82 120.40 110.76 1iqw s VAL 144 Ca 0.24 -0.53 -0.07 0.00 0.00 0.00 0.00 61.98 61.62 1iqw s VAL 144 Cb -0.10 -0.89 -0.03 0.00 0.00 0.00 0.00 36.38 35.36 1iqw s VAL 144 CO 0.16 0.30 0.05 -0.89 0.00 0.00 0.00 175.10 174.72 1iqw s THR 145 N -0.08 4.38 0.34 3.92 2.01 -1.26 -0.94 115.64 124.01 1iqw s THR 145 Ca 0.01 -0.16 0.09 0.00 0.31 0.00 0.00 61.69 61.93 1iqw s THR 145 Cb -0.08 -3.00 -0.05 0.00 0.01 0.00 0.00 72.50 69.38 1iqw s THR 145 CO 0.00 0.40 0.05 -0.76 -0.69 0.00 0.00 174.62 173.63 1iqw s LEU 146 N 1.01 3.06 0.33 4.42 1.43 -0.01 -4.53 118.68 124.39 1iqw s LEU 146 Ca 0.03 -0.93 -0.09 0.00 -1.03 0.00 0.00 54.13 52.11 1iqw s LEU 146 Cb -0.14 -1.46 0.01 0.00 0.03 0.00 0.00 46.19 44.63 1iqw s LEU 146 CO 0.03 -0.26 0.56 -0.83 0.23 0.00 0.00 176.35 176.07 1iqw s GLY 147 N -3.76 0.90 -0.06 -3.19 0.00 -0.61 -1.40 107.32 99.20 1iqw s GLY 147 Ca 0.36 -1.11 -0.03 0.00 0.00 0.00 0.00 44.72 43.93 1iqw s GLY 147 CO 0.20 -0.70 0.13 0.00 0.00 0.00 0.00 173.10 172.74 1iqw s LEU 149 N 0.85 3.55 -0.40 0.00 2.96 0.94 -1.70 118.68 124.88 1iqw s LEU 149 Ca -0.07 -0.15 -0.06 0.00 -0.22 0.00 0.00 54.13 53.64 1iqw s LEU 149 Cb -0.09 -1.95 0.09 0.00 0.50 0.00 0.00 46.19 44.74 1iqw s LEU 149 CO -0.04 -0.01 0.20 -0.69 -1.32 0.00 0.00 176.35 174.49 1iqw s VAL 150 N 1.48 3.66 0.08 1.68 1.01 0.33 -0.41 120.40 128.23 1iqw s VAL 150 Ca 0.06 -1.69 0.07 0.00 0.00 0.00 0.00 61.98 60.42 1iqw s VAL 150 Cb -0.15 -3.34 -0.03 0.00 0.00 0.00 0.00 36.38 32.86 1iqw s VAL 150 CO 0.04 -0.54 -0.20 -0.75 0.00 0.00 0.00 175.10 173.66 1iqw s LYS 151 N 1.28 1.15 -0.72 2.72 2.20 0.24 -0.36 119.74 126.25 1iqw s LYS 151 Ca 0.04 -1.05 -0.03 0.00 -0.36 0.00 0.00 55.97 54.57 1iqw s LYS 151 Cb -0.23 -1.33 -0.04 0.00 -1.51 0.00 0.00 37.83 34.73 1iqw s LYS 151 CO -0.01 0.32 0.62 0.41 -0.36 0.00 0.00 175.35 176.33 1iqw n GLY 152 N 1.38 -0.39 3.35 5.54 0.00 -0.53 -0.76 105.19 113.80 1iqw n GLY 152 Ca -0.19 0.21 -0.19 0.00 0.00 0.00 0.00 46.02 45.85 1iqw n GLY 152 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1iqw s TYR 153 N -3.25 1.75 -0.28 1.61 -0.85 -0.72 -4.34 117.35 111.27 1iqw s TYR 153 Ca 0.24 -0.57 -0.19 0.00 -0.52 0.00 0.00 57.07 56.03 1iqw s TYR 153 Cb -0.03 -0.82 0.11 0.00 0.38 0.00 0.00 41.96 41.60 1iqw s TYR 153 CO 0.49 0.37 0.86 0.12 -1.52 0.00 0.00 175.55 175.87 1iqw s PHE 154 N -2.96 -0.75 0.00 -3.49 5.36 -0.62 -0.29 117.98 115.25 1iqw s PHE 154 Ca 0.23 1.59 0.00 0.00 -0.96 0.00 0.00 56.93 57.79 1iqw s PHE 154 Cb -0.01 0.43 0.00 0.00 -0.34 0.00 0.00 43.02 43.10 1iqw s PHE 154 CO 0.07 -0.37 0.00 -0.35 -1.46 0.00 0.00 175.22 173.12 1iqw n PRO 155 N 3.44 1.23 -1.83 10.12 -0.04 -1.26 -0.57 135.00 146.10 1iqw n PRO 155 Ca -0.17 0.00 -0.32 0.00 -0.04 0.00 0.00 63.50 62.97 1iqw n PRO 155 Cb 0.57 0.00 0.03 0.00 -0.04 0.00 0.00 33.50 34.06 1iqw n PRO 155 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 1iqw s GLU 156 N -1.47 3.08 0.25 0.54 0.41 -1.26 -4.79 118.70 115.46 1iqw s GLU 156 Ca 0.00 1.16 0.02 0.00 -0.41 0.00 0.00 54.97 55.74 1iqw s GLU 156 Cb 0.00 -2.00 0.02 0.00 -1.78 0.00 0.00 34.13 30.37 1iqw s GLU 156 CO 0.00 -1.00 0.19 -0.35 -0.49 0.00 0.00 175.26 173.61 1iqw n PRO 157 N -2.48 1.11 -4.09 0.39 -0.04 -1.26 -4.89 135.00 123.74 1iqw n PRO 157 Ca 0.09 -1.56 -0.13 0.00 -0.04 0.00 0.00 63.50 61.86 1iqw n PRO 157 Cb 0.53 0.15 -0.11 0.00 -0.04 0.00 0.00 33.50 34.03 1iqw n PRO 157 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 1iqw s VAL 158 N -1.21 0.64 -0.14 0.52 -7.23 -1.26 -4.30 120.40 107.42 1iqw s VAL 158 Ca 0.15 -1.26 0.01 0.00 -1.81 0.00 0.00 61.98 59.07 1iqw s VAL 158 Cb -0.01 -0.86 -0.00 0.00 0.56 0.00 0.00 36.38 36.07 1iqw s VAL 158 CO 0.09 -0.45 -0.17 -0.89 -0.31 0.00 0.00 175.10 173.37 1iqw s THR 159 N -1.77 2.54 -0.15 5.32 2.01 0.47 -4.95 115.64 119.11 1iqw s THR 159 Ca -0.05 -0.83 0.02 0.00 0.31 0.00 0.00 61.69 61.14 1iqw s THR 159 Cb -0.07 -2.05 0.01 0.00 0.01 0.00 0.00 72.50 70.40 1iqw s THR 159 CO -0.00 0.53 -0.21 -0.69 -0.69 0.00 0.00 174.62 173.56 1iqw s VAL 160 N 0.67 2.17 0.15 3.82 1.01 -1.26 -0.94 120.40 126.02 1iqw s VAL 160 Ca -0.09 -0.94 0.04 0.00 0.00 0.00 0.00 61.98 60.99 1iqw s VAL 160 Cb -0.16 -1.88 -0.04 0.00 0.00 0.00 0.00 36.38 34.30 1iqw s VAL 160 CO 0.02 0.54 -0.07 0.42 0.00 0.00 0.00 175.10 176.01 1iqw s THR 161 N 0.87 1.03 -0.18 3.92 -4.23 -0.57 -4.99 115.64 111.49 1iqw s THR 161 Ca -0.05 -2.03 -0.01 0.00 -1.18 0.00 0.00 61.69 58.42 1iqw s THR 161 Cb -0.15 -1.90 0.00 0.00 1.34 0.00 0.00 72.50 71.78 1iqw s THR 161 CO -0.03 -0.69 -0.13 0.26 -0.54 0.00 0.00 174.62 173.49 1iqw s TRP 162 N -3.42 2.83 -1.19 3.99 0.52 -1.26 -0.75 118.94 119.67 1iqw s TRP 162 Ca 0.18 -1.12 -0.04 0.00 0.02 0.00 0.00 56.10 55.14 1iqw s TRP 162 Cb 0.04 -1.96 -0.02 0.00 -1.15 0.00 0.00 33.47 30.38 1iqw s TRP 162 CO 0.01 -0.55 0.85 0.09 0.02 0.00 0.00 176.95 177.36 1iqw n ASN 163 N 4.36 -3.38 -1.31 2.95 3.02 -0.01 -1.44 115.26 119.45 1iqw n ASN 163 Ca -0.19 -0.77 -0.11 0.00 -0.03 0.00 0.00 54.58 53.48 1iqw n ASN 163 Cb 0.51 -4.54 -0.05 0.00 -0.61 0.00 0.00 39.78 35.09 1iqw n ASN 163 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 1iqw n SER 164 N -3.07 -2.99 0.00 6.41 7.64 -1.26 -0.32 113.62 120.03 1iqw n SER 164 Ca -0.21 0.28 0.00 0.00 1.01 0.00 0.00 58.87 59.95 1iqw n SER 164 Cb 0.65 -2.85 0.00 0.00 -1.01 0.00 0.00 64.21 61.00 1iqw n SER 164 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1iqw n GLY 165 N -0.20 0.42 0.25 0.23 0.00 -0.52 -4.95 105.19 100.43 1iqw n GLY 165 Ca -0.11 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.01 1iqw n GLY 165 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1iqw h SER 166 N 0.00 0.00 -3.60 1.61 0.02 -0.51 -3.36 113.55 107.70 1iqw h SER 166 Ca 0.00 0.00 -0.70 0.00 -0.84 0.00 0.00 61.79 60.25 1iqw h SER 166 Cb 0.00 0.00 -0.24 0.00 0.14 0.00 0.00 62.40 62.30 1iqw h SER 166 CO 0.00 0.12 -0.53 -0.76 -1.14 0.00 0.00 176.83 174.52 1iqw s LEU 167 N -7.98 4.60 0.00 5.07 1.43 -0.98 -4.87 118.68 115.95 1iqw s LEU 167 Ca -0.04 -0.94 0.00 0.00 -1.03 0.00 0.00 54.13 52.13 1iqw s LEU 167 Cb 0.15 -2.01 0.00 0.00 0.03 0.00 0.00 46.19 44.36 1iqw s LEU 167 CO 0.63 -0.35 0.00 -1.54 0.23 0.00 0.00 176.35 175.31 1iqw n SER 168 N 4.98 3.98 -4.77 2.29 3.41 -1.26 -4.27 113.62 117.99 1iqw n SER 168 Ca -0.12 0.00 -0.39 0.00 -0.26 0.00 0.00 58.87 58.10 1iqw n SER 168 Cb 0.46 0.76 -0.06 0.00 -0.26 0.00 0.00 64.21 65.12 1iqw n SER 168 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 1iqw s SER 169 N -1.68 7.13 -0.58 4.04 0.01 -1.26 -3.90 113.70 117.47 1iqw s SER 169 Ca 0.00 1.35 -0.02 0.00 1.31 0.00 0.00 55.95 58.59 1iqw s SER 169 Cb 0.00 -2.42 0.00 0.00 0.21 0.00 0.00 66.02 63.82 1iqw s SER 169 CO 0.00 0.13 0.28 0.61 0.41 0.00 0.00 173.24 174.67 1iqw n GLY 170 N 2.13 0.25 3.29 3.44 0.00 -1.26 -4.61 105.19 108.43 1iqw n GLY 170 Ca -0.06 -0.41 -0.32 0.00 0.00 0.00 0.00 46.02 45.23 1iqw n GLY 170 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1iqw s VAL 171 N -2.85 2.50 -0.07 1.61 1.01 -1.25 -0.60 120.40 120.75 1iqw s VAL 171 Ca 0.14 -0.86 0.02 0.00 0.00 0.00 0.00 61.98 61.27 1iqw s VAL 171 Cb -0.06 -2.00 0.02 0.00 0.00 0.00 0.00 36.38 34.34 1iqw s VAL 171 CO 0.17 0.55 -0.10 -1.00 0.00 0.00 0.00 175.10 174.72 1iqw s HIS 172 N 0.31 1.29 -0.19 5.22 3.76 -0.05 -4.99 115.29 120.64 1iqw s HIS 172 Ca -0.15 -0.48 0.01 0.00 -0.15 0.00 0.00 55.06 54.29 1iqw s HIS 172 Cb -0.17 -1.00 0.03 0.00 1.11 0.00 0.00 32.58 32.55 1iqw s HIS 172 CO 0.07 -0.29 -0.17 0.99 -0.85 0.00 0.00 174.74 174.49 1iqw s THR 173 N 0.89 1.95 -0.03 1.30 2.01 -1.26 -0.44 115.64 120.05 1iqw s THR 173 Ca -0.11 -0.98 -0.26 0.00 0.31 0.00 0.00 61.69 60.66 1iqw s THR 173 Cb -0.15 -1.83 -0.04 0.00 0.01 0.00 0.00 72.50 70.49 1iqw s THR 173 CO 0.01 0.43 0.79 -0.36 -0.69 0.00 0.00 174.62 174.80 1iqw s PHE 174 N 1.31 3.62 0.35 4.92 0.08 -0.81 -5.02 117.98 122.43 1iqw s PHE 174 Ca 0.03 1.41 -0.26 0.00 0.12 0.00 0.00 56.93 58.22 1iqw s PHE 174 Cb -0.14 -2.90 -0.12 0.00 -0.57 0.00 0.00 43.02 39.29 1iqw s PHE 174 CO -0.11 0.08 0.98 -0.35 -0.10 0.00 0.00 175.22 175.72 1iqw n PRO 175 N 3.70 1.31 -2.09 0.24 -0.04 -1.26 -4.23 135.00 132.63 1iqw n PRO 175 Ca 0.01 0.46 -0.36 0.00 -0.04 0.00 0.00 63.50 63.57 1iqw n PRO 175 Cb 0.51 -1.91 0.02 0.00 -0.04 0.00 0.00 33.50 32.08 1iqw n PRO 175 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1iqw s ALA 176 N -1.18 2.70 -0.06 0.55 0.00 -1.26 -4.87 121.76 117.63 1iqw s ALA 176 Ca 0.61 1.00 0.06 0.00 0.00 0.00 0.00 51.96 53.63 1iqw s ALA 176 Cb -0.63 -3.43 -0.01 0.00 0.00 0.00 0.00 23.12 19.05 1iqw s ALA 176 CO 0.59 -1.00 -0.25 0.08 0.00 0.00 0.00 175.76 175.17 1iqw s VAL 177 N -1.58 2.05 -0.20 0.00 1.01 -0.40 -4.93 120.40 116.35 1iqw s VAL 177 Ca 0.73 -1.06 -0.12 0.00 0.00 0.00 0.00 61.98 61.52 1iqw s VAL 177 Cb -0.30 -1.74 -0.05 0.00 0.00 0.00 0.00 36.38 34.30 1iqw s VAL 177 CO 0.34 0.57 0.24 -0.22 0.00 0.00 0.00 175.10 176.03 1iqw s LEU 178 N -0.11 4.19 -0.19 3.92 2.96 -1.26 -1.31 118.68 126.87 1iqw s LEU 178 Ca -0.05 0.34 -0.04 0.00 -0.22 0.00 0.00 54.13 54.16 1iqw s LEU 178 Cb -0.14 -2.26 0.09 0.00 0.50 0.00 0.00 46.19 44.38 1iqw s LEU 178 CO 0.04 0.08 0.24 -1.10 -1.32 0.00 0.00 176.35 174.29 1iqw s GLN 179 N 0.73 0.19 -0.46 1.98 -1.52 -0.16 -4.90 119.66 115.52 1iqw s GLN 179 Ca 0.13 0.30 -0.01 0.00 -1.95 0.00 0.00 55.36 53.83 1iqw s GLN 179 Cb -0.13 -0.99 0.00 0.00 -0.22 0.00 0.00 33.01 31.67 1iqw s GLN 179 CO 0.03 -0.60 0.39 -1.13 -0.25 0.00 0.00 175.29 173.72 1iqw n SER 180 N 5.33 -2.53 -1.29 5.90 3.41 -1.26 -3.58 113.62 119.61 1iqw n SER 180 Ca -0.05 -0.22 -0.17 0.00 -0.26 0.00 0.00 58.87 58.17 1iqw n SER 180 Cb 0.50 -2.18 -0.07 0.00 -0.26 0.00 0.00 64.21 62.20 1iqw n SER 180 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 1iqw n ASP 181 N -1.25 -5.03 -3.86 4.04 8.00 -1.26 -4.98 116.55 112.20 1iqw n ASP 181 Ca -0.07 0.42 -0.12 0.00 0.71 0.00 0.00 54.79 55.72 1iqw n ASP 181 Cb 0.55 -4.01 -0.13 0.00 -0.02 0.00 0.00 41.12 37.50 1iqw n ASP 181 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1iqw s LEU 182 N -3.82 1.85 0.14 0.64 1.43 -1.23 -4.87 118.68 112.82 1iqw s LEU 182 Ca 0.00 0.06 -0.08 0.00 -1.03 0.00 0.00 54.13 53.08 1iqw s LEU 182 Cb 0.00 0.15 -0.06 0.00 0.03 0.00 0.00 46.19 46.31 1iqw s LEU 182 CO 0.00 -0.03 0.43 -0.31 0.23 0.00 0.00 176.35 176.67 1iqw s TYR 183 N -0.05 3.51 -0.02 0.29 1.51 0.61 -0.99 117.35 122.21 1iqw s TYR 183 Ca -0.01 0.74 0.02 0.00 -1.01 0.00 0.00 57.07 56.81 1iqw s TYR 183 Cb -0.01 -2.14 0.00 0.00 -0.11 0.00 0.00 41.96 39.71 1iqw s TYR 183 CO 0.00 0.43 -0.06 0.99 -1.11 0.00 0.00 175.55 175.80 1iqw s THR 184 N -1.58 0.51 0.08 -0.71 2.01 -0.43 -1.45 115.64 114.08 1iqw s THR 184 Ca 0.39 -0.22 -0.07 0.00 0.31 0.00 0.00 61.69 62.10 1iqw s THR 184 Cb -0.13 -0.47 -0.01 0.00 0.01 0.00 0.00 72.50 71.90 1iqw s THR 184 CO 0.21 0.17 0.14 -0.22 -0.69 0.00 0.00 174.62 174.23 1iqw s LEU 185 N 0.22 1.65 0.07 4.42 0.20 0.52 -1.28 118.68 124.48 1iqw s LEU 185 Ca -0.02 -0.70 -0.03 0.00 0.69 0.00 0.00 54.13 54.06 1iqw s LEU 185 Cb -0.07 0.84 -0.03 0.00 -0.43 0.00 0.00 46.19 46.51 1iqw s LEU 185 CO -0.00 -0.69 0.03 -0.94 -0.29 0.00 0.00 176.35 174.46 1iqw s SER 186 N -2.81 0.39 0.01 3.68 1.04 -1.26 -0.51 113.70 114.24 1iqw s SER 186 Ca 0.04 -0.94 -0.02 0.00 0.48 0.00 0.00 55.95 55.52 1iqw s SER 186 Cb 0.05 0.24 -0.01 0.00 0.10 0.00 0.00 66.02 66.40 1iqw s SER 186 CO -0.10 -0.64 0.01 -0.55 0.98 0.00 0.00 173.24 172.94 1iqw s SER 187 N -2.92 0.15 0.11 7.02 0.15 -0.69 -1.93 113.70 115.59 1iqw s SER 187 Ca 0.08 -0.34 0.04 0.00 0.70 0.00 0.00 55.95 56.44 1iqw s SER 187 Cb 0.07 0.11 -0.04 0.00 -1.71 0.00 0.00 66.02 64.46 1iqw s SER 187 CO -0.09 -0.26 -0.11 -0.94 1.20 0.00 0.00 173.24 173.03 1iqw s SER 188 N -1.16 1.65 -0.07 5.45 1.04 0.41 -0.97 113.70 120.04 1iqw s SER 188 Ca -0.13 -0.81 -0.04 0.00 0.48 0.00 0.00 55.95 55.45 1iqw s SER 188 Cb -0.08 -0.02 0.03 0.00 0.10 0.00 0.00 66.02 66.06 1iqw s SER 188 CO -0.00 -0.22 0.17 0.54 0.98 0.00 0.00 173.24 174.71 1iqw s VAL 189 N -2.35 -0.04 -0.31 5.02 0.11 -0.49 -0.88 120.40 121.47 1iqw s VAL 189 Ca 0.07 0.13 -0.05 0.00 -2.93 0.00 0.00 61.98 59.19 1iqw s VAL 189 Cb -0.03 -0.27 0.03 0.00 -1.53 0.00 0.00 36.38 34.58 1iqw s VAL 189 CO 0.01 0.05 0.06 -0.89 -3.33 0.00 0.00 175.10 171.00 1iqw s THR 190 N 0.92 3.60 0.36 5.04 2.01 0.23 -0.83 115.64 126.98 1iqw s THR 190 Ca -0.07 -1.02 0.09 0.00 0.31 0.00 0.00 61.69 61.00 1iqw s THR 190 Cb -0.09 -2.96 -0.07 0.00 0.01 0.00 0.00 72.50 69.39 1iqw s THR 190 CO -0.05 -0.04 -0.04 0.68 -0.69 0.00 0.00 174.62 174.48 1iqw s VAL 191 N 1.40 2.23 0.30 3.82 -7.23 -0.12 -4.70 120.40 116.10 1iqw s VAL 191 Ca -0.01 -2.10 -0.29 0.00 -1.81 0.00 0.00 61.98 57.77 1iqw s VAL 191 Cb -0.18 -2.77 -0.10 0.00 0.56 0.00 0.00 36.38 33.89 1iqw s VAL 191 CO 0.01 -0.14 1.22 -2.84 -0.31 0.00 0.00 175.10 173.04 1iqw s PRO 192 N -3.66 4.48 0.63 4.82 0.02 -1.26 -0.12 135.00 139.90 1iqw s PRO 192 Ca 0.34 2.03 0.33 0.00 0.02 0.00 0.00 61.00 63.72 1iqw s PRO 192 Cb 0.04 -3.13 1.85 0.00 0.02 0.00 0.00 34.50 33.28 1iqw s PRO 192 CO 0.17 -0.03 2.13 0.66 -0.33 0.00 0.00 177.00 179.61 1iqw h SER 193 N 3.76 0.00 1.64 2.53 4.64 -1.61 0.28 113.55 124.79 1iqw h SER 193 Ca -0.48 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 60.78 1iqw h SER 193 Cb 1.22 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.30 1iqw h SER 193 CO 0.67 0.00 -0.37 0.77 -0.87 0.00 0.00 176.83 177.04 1iqw h SER 194 N 0.00 0.00 0.21 4.97 4.64 -1.91 -3.38 113.55 118.07 1iqw h SER 194 Ca 0.04 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.35 1iqw h SER 194 Cb 0.40 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.49 1iqw h SER 194 CO -0.00 0.30 -0.10 0.74 -0.87 0.00 0.00 176.83 176.90 1iqw h THR 195 N 0.00 0.27 0.00 2.95 2.02 -0.82 -3.42 112.91 113.92 1iqw h THR 195 Ca -0.01 -0.93 0.00 0.00 0.77 0.00 0.00 66.41 66.24 1iqw h THR 195 Cb 1.23 0.48 0.00 0.00 -1.74 0.00 0.00 68.15 68.13 1iqw h THR 195 CO 0.04 0.08 0.00 1.87 0.37 0.00 0.00 175.52 177.88 1iqw n TRP 196 N -4.95 0.00 -0.23 3.16 -0.00 -1.13 -0.37 117.44 113.92 1iqw n TRP 196 Ca -0.05 0.00 0.22 0.00 -0.00 0.00 0.00 57.50 57.67 1iqw n TRP 196 Cb 0.17 -0.43 0.41 0.00 -0.00 0.00 0.00 31.31 31.46 1iqw n TRP 196 CO 0.00 0.00 0.00 -2.30 -0.00 0.00 0.00 177.69 175.39 1iqw n PRO 197 N -1.82 -0.04 -0.07 5.87 -0.02 -1.26 -1.68 135.00 135.98 1iqw n PRO 197 Ca 0.00 0.99 -0.22 0.00 -2.02 0.00 0.00 63.50 62.25 1iqw n PRO 197 Cb 0.00 -1.77 -0.12 0.00 -0.02 0.00 0.00 33.50 31.59 1iqw n PRO 197 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 1iqw n SER 198 N -4.64 2.01 -4.72 2.55 7.64 -1.23 -4.91 113.62 110.32 1iqw n SER 198 Ca 0.27 0.21 -0.40 0.00 1.01 0.00 0.00 58.87 59.96 1iqw n SER 198 Cb 0.90 -0.80 -0.05 0.00 -1.01 0.00 0.00 64.21 63.26 1iqw n SER 198 CO 0.00 0.00 0.00 -1.10 -3.01 0.00 0.00 175.04 170.93 1iqw s GLN 199 N -2.50 4.44 -0.01 1.43 -0.21 0.51 -5.02 119.66 118.30 1iqw s GLN 199 Ca -0.29 0.91 -0.30 0.00 0.02 0.00 0.00 55.36 55.70 1iqw s GLN 199 Cb 0.08 -3.44 -0.06 0.00 1.00 0.00 0.00 33.01 30.60 1iqw s GLN 199 CO 0.66 0.09 1.48 0.99 -2.12 0.00 0.00 175.29 176.39 1iqw s THR 200 N 0.69 3.62 -0.17 -0.19 2.01 -1.26 -4.47 115.64 115.87 1iqw s THR 200 Ca 0.38 0.96 -0.02 0.00 0.31 0.00 0.00 61.69 63.31 1iqw s THR 200 Cb -0.18 -3.61 -0.01 0.00 0.01 0.00 0.00 72.50 68.70 1iqw s THR 200 CO 0.19 -0.02 -0.09 -0.69 -0.69 0.00 0.00 174.62 173.31 1iqw s VAL 201 N 2.83 3.20 0.12 3.82 1.01 -1.26 -5.02 120.40 125.09 1iqw s VAL 201 Ca 0.67 -0.58 0.08 0.00 0.00 0.00 0.00 61.98 62.14 1iqw s VAL 201 Cb -0.32 -2.40 -0.04 0.00 0.00 0.00 0.00 36.38 33.62 1iqw s VAL 201 CO 0.27 0.48 -0.19 -0.89 0.00 0.00 0.00 175.10 174.77 1iqw s THR 202 N 0.87 1.66 -0.15 3.92 2.01 -1.26 -1.63 115.64 121.06 1iqw s THR 202 Ca -0.02 -1.64 -0.00 0.00 0.31 0.00 0.00 61.69 60.33 1iqw s THR 202 Cb -0.15 -1.59 -0.01 0.00 0.01 0.00 0.00 72.50 70.76 1iqw s THR 202 CO 0.00 -0.17 -0.13 0.00 -0.69 0.00 0.00 174.62 173.64 1iqw s ASN 204 N 0.70 4.53 -0.10 0.00 -0.87 0.07 -1.24 114.94 118.03 1iqw s ASN 204 Ca -0.06 -0.39 0.02 0.00 -1.57 0.00 0.00 52.86 50.86 1iqw s ASN 204 Cb -0.15 -1.79 -0.01 0.00 -0.02 0.00 0.00 41.25 39.28 1iqw s ASN 204 CO 0.02 -0.04 -0.17 -0.69 -2.57 0.00 0.00 177.10 173.65 1iqw s VAL 205 N 1.50 2.74 -0.06 1.60 1.01 0.38 -1.52 120.40 126.06 1iqw s VAL 205 Ca 0.05 -0.79 0.05 0.00 0.00 0.00 0.00 61.98 61.29 1iqw s VAL 205 Cb -0.15 -2.10 -0.00 0.00 0.00 0.00 0.00 36.38 34.13 1iqw s VAL 205 CO -0.01 0.55 -0.20 0.00 0.00 0.00 0.00 175.10 175.43 1iqw s ALA 206 N 0.07 1.80 -0.53 5.51 0.00 -0.11 -0.65 121.76 127.84 1iqw s ALA 206 Ca -0.07 -0.82 0.04 0.00 0.00 0.00 0.00 51.96 51.11 1iqw s ALA 206 Cb -0.15 -0.61 0.14 0.00 0.00 0.00 0.00 23.12 22.50 1iqw s ALA 206 CO 0.05 0.31 0.31 -1.58 0.00 0.00 0.00 175.76 174.85 1iqw s HIS 207 N 0.08 2.84 0.28 0.00 2.46 -0.32 -0.40 115.29 120.24 1iqw s HIS 207 Ca -0.07 -2.97 -0.06 0.00 0.47 0.00 0.00 55.06 52.42 1iqw s HIS 207 Cb -0.14 -2.46 0.50 0.00 -0.13 0.00 0.00 32.58 30.36 1iqw s HIS 207 CO 0.04 -0.71 1.56 -1.00 -2.47 0.00 0.00 174.74 172.16 1iqw h PRO 208 N 6.28 0.00 0.00 2.88 0.13 -1.83 -0.34 132.00 139.13 1iqw h PRO 208 Ca 0.00 -0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 65.11 1iqw h PRO 208 Cb 0.87 -0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.00 1iqw h PRO 208 CO 0.63 0.00 -0.09 0.00 -0.23 0.00 0.00 178.00 178.31 1iqw h ALA 209 N 1.98 1.70 -0.01 -0.56 0.00 -1.87 -2.05 119.26 118.45 1iqw h ALA 209 Ca 0.49 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.32 1iqw h ALA 209 Cb 0.81 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.58 1iqw h ALA 209 CO -0.99 0.11 -0.38 -1.13 0.00 0.00 0.00 179.25 176.86 1iqw n SER 210 N -4.22 1.85 -2.55 0.00 3.41 -0.53 -4.97 113.62 106.62 1iqw n SER 210 Ca -0.03 -1.42 -0.19 0.00 -0.26 0.00 0.00 58.87 56.97 1iqw n SER 210 Cb 0.17 0.45 -0.00 0.00 -0.26 0.00 0.00 64.21 64.57 1iqw n SER 210 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1iqw n SER 211 N -0.02 -5.24 -4.70 4.04 7.64 -0.25 -4.97 113.62 110.12 1iqw n SER 211 Ca 0.08 -0.01 -0.29 0.00 1.01 0.00 0.00 58.87 59.66 1iqw n SER 211 Cb 0.40 -4.36 -0.08 0.00 -1.01 0.00 0.00 64.21 59.17 1iqw n SER 211 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 1iqw s THR 212 N -2.93 4.06 -0.00 0.44 -4.23 -1.17 -4.98 115.64 106.82 1iqw s THR 212 Ca 0.06 -1.04 0.02 0.00 -1.18 0.00 0.00 61.69 59.55 1iqw s THR 212 Cb -0.03 -2.96 -0.01 0.00 1.34 0.00 0.00 72.50 70.84 1iqw s THR 212 CO 0.08 0.07 -0.07 -0.54 -0.54 0.00 0.00 174.62 173.62 1iqw s LYS 213 N -2.47 0.54 -0.02 3.99 1.02 -1.26 -1.18 119.74 120.36 1iqw s LYS 213 Ca 0.27 -0.25 0.00 0.00 0.02 0.00 0.00 55.97 56.01 1iqw s LYS 213 Cb -0.11 -0.52 0.02 0.00 -0.52 0.00 0.00 37.83 36.70 1iqw s LYS 213 CO 0.19 0.14 0.00 0.08 -0.92 0.00 0.00 175.35 174.85 1iqw s VAL 214 N -0.18 0.11 -0.18 3.17 1.01 0.17 -5.00 120.40 119.51 1iqw s VAL 214 Ca 0.02 0.09 0.00 0.00 0.00 0.00 0.00 61.98 62.10 1iqw s VAL 214 Cb -0.03 -0.20 0.01 0.00 0.00 0.00 0.00 36.38 36.16 1iqw s VAL 214 CO -0.00 0.11 -0.18 -1.81 0.00 0.00 0.00 175.10 173.23 1iqw s ASP 215 N 0.87 3.33 -0.14 3.32 1.01 -1.26 -0.47 116.67 123.32 1iqw s ASP 215 Ca -0.08 -0.60 0.02 0.00 0.71 0.00 0.00 52.55 52.60 1iqw s ASP 215 Cb -0.12 -1.52 0.01 0.00 1.01 0.00 0.00 42.92 42.31 1iqw s ASP 215 CO -0.02 0.01 -0.21 -0.75 0.21 0.00 0.00 175.17 174.42 1iqw s LYS 216 N 1.23 2.93 0.12 8.23 2.47 -0.38 -4.94 119.74 129.40 1iqw s LYS 216 Ca 0.03 -0.82 -0.25 0.00 -1.56 0.00 0.00 55.97 53.37 1iqw s LYS 216 Cb -0.14 -2.40 -0.07 0.00 -1.46 0.00 0.00 37.83 33.76 1iqw s LYS 216 CO -0.09 -0.05 0.75 0.21 0.16 0.00 0.00 175.35 176.33 1iqw s LYS 217 N 0.90 4.51 -0.53 4.03 2.20 -1.26 -1.08 119.74 128.52 1iqw s LYS 217 Ca -0.05 1.09 -0.24 0.00 -0.36 0.00 0.00 55.97 56.42 1iqw s LYS 217 Cb -0.15 -3.29 0.04 0.00 -1.51 0.00 0.00 37.83 32.92 1iqw s LYS 217 CO -0.04 0.50 0.89 0.42 -0.36 0.00 0.00 175.35 176.77 1iqw s ILE 218 N -0.85 4.47 -0.21 5.43 -1.09 -0.65 -4.88 121.20 123.42 1iqw s ILE 218 Ca 0.36 0.23 -0.08 0.00 -2.23 0.00 0.00 60.65 58.93 1iqw s ILE 218 Cb -0.22 -4.49 -0.04 0.00 -1.58 0.00 0.00 42.46 36.13 1iqw s ILE 218 CO 0.25 -1.03 0.07 0.54 -1.23 0.00 0.00 174.94 173.54 1iqw s VAL 219 N 3.73 4.64 0.41 2.92 0.11 -1.26 -4.75 120.40 126.19 1iqw s VAL 219 Ca 0.29 -0.08 -0.23 0.00 -2.93 0.00 0.00 61.98 59.03 1iqw s VAL 219 Cb -0.13 -3.13 -0.12 0.00 -1.53 0.00 0.00 36.38 31.47 1iqw s VAL 219 CO 0.19 0.40 0.65 -2.65 -3.33 0.00 0.00 175.10 170.36 1iqw n PRO 220 N 4.18 0.71 0.00 1.54 -0.02 -1.26 -4.81 135.00 135.35 1iqw n PRO 220 Ca -0.16 0.26 0.13 0.00 -2.02 0.00 0.00 63.50 61.71 1iqw n PRO 220 Cb 0.52 -1.59 0.80 0.00 -0.02 0.00 0.00 33.50 33.21 1iqw n PRO 220 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02