#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ieh n VAL 2 N 0.00 1.01 -1.36 5.18 0.24 -1.26 -5.06 118.33 117.08 1ieh n VAL 2 Ca 0.00 -1.79 0.16 0.00 -2.04 0.00 0.00 64.34 60.68 1ieh n VAL 2 Cb 0.00 0.33 -0.09 0.00 -1.47 0.00 0.00 33.84 32.61 1ieh n VAL 2 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1ieh n GLN 3 N -0.40 -3.15 -3.70 7.34 -0.00 -1.26 -3.33 117.38 112.88 1ieh n GLN 3 Ca 0.11 2.58 -0.12 0.00 -0.00 0.00 0.00 57.00 59.57 1ieh n GLN 3 Cb 0.85 -3.67 -0.07 0.00 -0.00 0.00 0.00 30.24 27.35 1ieh n GLN 3 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.06 176.55 1ieh s LEU 4 N -7.07 0.61 -0.35 2.61 1.43 -1.26 -4.29 118.68 110.36 1ieh s LEU 4 Ca 0.00 -0.10 0.04 0.00 -1.03 0.00 0.00 54.13 53.04 1ieh s LEU 4 Cb 0.00 1.57 0.16 0.00 0.03 0.00 0.00 46.19 47.96 1ieh s LEU 4 CO 0.00 -0.65 0.44 -1.58 0.23 0.00 0.00 176.35 174.79 1ieh s GLN 5 N -2.56 0.61 -0.09 1.70 2.00 0.64 -2.02 119.66 119.93 1ieh s GLN 5 Ca -0.05 -0.40 -0.05 0.00 -2.00 0.00 0.00 55.36 52.87 1ieh s GLN 5 Cb -0.01 -0.40 -0.04 0.00 0.80 0.00 0.00 33.01 33.37 1ieh s GLN 5 CO -0.03 -1.14 0.11 0.00 -0.50 0.00 0.00 175.29 173.73 1ieh s ALA 6 N 1.90 3.75 -0.03 1.58 0.00 -1.26 -1.01 121.76 126.69 1ieh s ALA 6 Ca 0.14 -0.71 -0.08 0.00 0.00 0.00 0.00 51.96 51.32 1ieh s ALA 6 Cb -0.12 -1.83 0.01 0.00 0.00 0.00 0.00 23.12 21.18 1ieh s ALA 6 CO -0.13 0.64 0.17 0.45 0.00 0.00 0.00 175.76 176.89 1ieh s SER 7 N -1.18 -0.08 0.00 0.00 0.15 -0.78 -4.43 113.70 107.38 1ieh s SER 7 Ca 0.17 0.05 0.00 0.00 0.70 0.00 0.00 55.95 56.87 1ieh s SER 7 Cb -0.12 0.29 0.00 0.00 -1.71 0.00 0.00 66.02 64.48 1ieh s SER 7 CO 0.06 -0.26 0.00 0.61 1.20 0.00 0.00 173.24 174.86 1ieh n GLY 8 N 2.04 -0.85 3.55 9.45 0.00 -1.26 -2.08 105.19 116.05 1ieh n GLY 8 Ca -0.19 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.60 1ieh n GLY 8 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ieh n GLY 9 N 0.00 -0.07 1.72 -0.02 0.00 -1.26 -4.67 105.19 100.89 1ieh n GLY 9 Ca 0.00 0.46 -0.11 0.00 0.00 0.00 0.00 46.02 46.37 1ieh n GLY 9 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ieh n GLY 10 N 6.42 2.64 3.39 -0.02 0.00 -1.26 -4.70 105.19 111.66 1ieh n GLY 10 Ca 0.46 -2.21 -0.36 0.00 0.00 0.00 0.00 46.02 43.91 1ieh n GLY 10 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1ieh s LEU 11 N 0.00 3.18 0.00 0.99 2.01 -1.25 -2.38 118.68 121.23 1ieh s LEU 11 Ca 0.18 -0.28 0.02 0.00 0.01 0.00 0.00 54.13 54.06 1ieh s LEU 11 Cb -0.01 -1.83 -0.01 0.00 0.01 0.00 0.00 46.19 44.35 1ieh s LEU 11 CO 0.11 -0.01 0.08 1.33 1.01 0.00 0.00 176.35 178.87 1ieh n VAL 12 N 4.78 0.00 -4.20 -1.59 0.24 -0.88 -4.89 118.33 111.78 1ieh n VAL 12 Ca -0.17 -2.05 -0.18 0.00 -2.04 0.00 0.00 64.34 59.89 1ieh n VAL 12 Cb 0.51 0.63 -0.12 0.00 -1.47 0.00 0.00 33.84 33.39 1ieh n VAL 12 CO 0.00 0.00 0.00 -1.58 -2.14 0.00 0.00 176.83 173.11 1ieh s GLN 13 N -3.42 0.82 -0.90 7.34 -0.44 -1.26 0.38 119.66 122.18 1ieh s GLN 13 Ca 0.12 -0.89 -0.21 0.00 -2.50 0.00 0.00 55.36 51.88 1ieh s GLN 13 Cb 0.01 -0.82 -0.23 0.00 -1.64 0.00 0.00 33.01 30.32 1ieh s GLN 13 CO 0.08 0.19 2.40 -2.30 0.50 0.00 0.00 175.29 176.16 1ieh n PRO 14 N 1.44 0.22 0.00 1.67 -0.02 -1.26 0.15 135.00 137.21 1ieh n PRO 14 Ca -0.20 -0.14 0.00 0.00 -2.02 0.00 0.00 63.50 61.14 1ieh n PRO 14 Cb 0.54 -1.91 0.00 0.00 -0.02 0.00 0.00 33.50 32.11 1ieh n PRO 14 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1ieh n GLY 15 N 6.10 1.43 0.00 -1.23 0.00 -1.20 -4.86 105.19 105.43 1ieh n GLY 15 Ca 0.60 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.62 1ieh n GLY 15 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ieh n GLY 16 N 0.00 1.42 3.24 -0.02 0.00 0.12 -4.89 105.19 105.06 1ieh n GLY 16 Ca 0.00 -1.60 0.03 0.00 0.00 0.00 0.00 46.02 44.45 1ieh n GLY 16 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1ieh s SER 17 N -1.00 -1.03 0.08 1.61 1.04 -1.26 -4.49 113.70 108.65 1ieh s SER 17 Ca 0.00 0.80 0.06 0.00 0.48 0.00 0.00 55.95 57.30 1ieh s SER 17 Cb 0.00 1.93 -0.04 0.00 0.10 0.00 0.00 66.02 68.01 1ieh s SER 17 CO 0.00 -0.19 -0.10 -0.22 0.98 0.00 0.00 173.24 173.70 1ieh s LEU 18 N 2.85 3.01 -0.25 2.42 2.96 -0.93 -4.97 118.68 123.77 1ieh s LEU 18 Ca 0.09 -0.35 -0.00 0.00 -0.22 0.00 0.00 54.13 53.65 1ieh s LEU 18 Cb -0.12 -1.80 0.07 0.00 0.50 0.00 0.00 46.19 44.84 1ieh s LEU 18 CO -0.18 0.21 0.01 -0.60 -1.32 0.00 0.00 176.35 174.47 1ieh s ARG 19 N -1.98 1.20 0.03 1.98 3.52 -1.26 -0.66 118.95 121.78 1ieh s ARG 19 Ca 0.20 -0.97 0.00 0.00 -0.13 0.00 0.00 55.73 54.83 1ieh s ARG 19 Cb -0.11 -2.41 -0.04 0.00 -1.56 0.00 0.00 34.95 30.83 1ieh s ARG 19 CO 0.12 -0.73 0.10 0.14 -0.81 0.00 0.00 175.30 174.12 1ieh s VAL 20 N 1.49 4.79 0.30 7.11 -7.23 -0.34 -4.77 120.40 121.76 1ieh s VAL 20 Ca 0.00 -0.49 0.07 0.00 -1.81 0.00 0.00 61.98 59.75 1ieh s VAL 20 Cb -0.18 -3.25 -0.06 0.00 0.56 0.00 0.00 36.38 33.45 1ieh s VAL 20 CO -0.11 0.26 -0.05 -0.94 -0.31 0.00 0.00 175.10 173.95 1ieh s SER 21 N -2.03 2.93 -0.09 4.85 1.04 -0.88 -0.98 113.70 118.54 1ieh s SER 21 Ca 0.26 -1.22 -0.04 0.00 0.48 0.00 0.00 55.95 55.43 1ieh s SER 21 Cb -0.12 -0.20 0.05 0.00 0.10 0.00 0.00 66.02 65.84 1ieh s SER 21 CO 0.18 -0.35 0.21 0.00 0.98 0.00 0.00 173.24 174.25 1ieh s ALA 23 N 1.39 1.97 0.31 0.00 0.00 -0.18 -0.61 121.76 124.64 1ieh s ALA 23 Ca -0.08 -0.89 0.04 0.00 0.00 0.00 0.00 51.96 51.03 1ieh s ALA 23 Cb -0.11 -0.69 -0.04 0.00 0.00 0.00 0.00 23.12 22.28 1ieh s ALA 23 CO -0.07 0.31 0.18 0.00 0.00 0.00 0.00 175.76 176.17 1ieh s ALA 24 N 0.17 1.99 -0.29 0.00 0.00 -1.10 -0.26 121.76 122.26 1ieh s ALA 24 Ca -0.11 -1.76 -0.14 0.00 0.00 0.00 0.00 51.96 49.95 1ieh s ALA 24 Cb -0.15 1.18 0.12 0.00 0.00 0.00 0.00 23.12 24.27 1ieh s ALA 24 CO 0.06 -0.52 0.76 -1.12 0.00 0.00 0.00 175.76 174.93 1ieh s SER 25 N -3.38 -0.90 0.00 0.00 0.01 -1.21 -4.70 113.70 103.51 1ieh s SER 25 Ca 0.36 1.33 0.00 0.00 1.31 0.00 0.00 55.95 58.95 1ieh s SER 25 Cb 0.04 1.73 0.00 0.00 0.21 0.00 0.00 66.02 68.00 1ieh s SER 25 CO 0.19 -0.20 0.00 0.61 0.41 0.00 0.00 173.24 174.25 1ieh n GLY 26 N 4.72 -0.54 0.00 3.44 0.00 -1.26 -4.60 105.19 106.95 1ieh n GLY 26 Ca -0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.87 1ieh n GLY 26 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 1ieh n PHE 27 N 0.00 0.00 -1.21 1.61 -1.74 -1.26 -4.97 117.46 109.89 1ieh n PHE 27 Ca 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 57.45 56.89 1ieh n PHE 27 Cb 0.00 0.00 0.00 0.00 1.52 0.00 0.00 39.48 41.00 1ieh n PHE 27 CO 0.00 0.00 0.00 2.41 -0.56 0.00 0.00 176.76 178.61 1ieh n THR 28 N 0.00 -3.35 -2.22 1.97 -1.04 -1.26 -4.81 114.28 103.56 1ieh n THR 28 Ca 0.00 1.51 -0.16 0.00 -2.04 0.00 0.00 64.05 63.36 1ieh n THR 28 Cb 0.00 -2.23 0.09 0.00 -1.82 0.00 0.00 70.33 66.37 1ieh n THR 28 CO 0.00 0.00 0.00 0.49 -0.64 0.00 0.00 175.07 174.92 1ieh n PHE 29 N -1.58 -3.36 -0.77 -1.42 3.01 -1.26 -4.20 117.46 107.89 1ieh n PHE 29 Ca 0.00 -1.03 0.00 0.00 1.01 0.00 0.00 57.45 57.43 1ieh n PHE 29 Cb 0.17 -0.53 0.00 0.00 -0.01 0.00 0.00 39.48 39.11 1ieh n PHE 29 CO 0.00 0.00 0.00 0.43 1.01 0.00 0.00 176.76 178.20 1ieh n SER 30 N -3.12 -3.34 0.00 4.37 7.64 -1.26 -4.52 113.62 113.39 1ieh n SER 30 Ca 0.11 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.99 1ieh n SER 30 Cb 0.38 -3.01 0.00 0.00 -1.01 0.00 0.00 64.21 60.57 1ieh n SER 30 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1ieh n SER 31 N -0.52 3.31 -4.33 6.43 7.64 -1.26 -4.87 113.62 120.02 1ieh n SER 31 Ca 0.00 0.00 -0.26 0.00 1.01 0.00 0.00 58.87 59.62 1ieh n SER 31 Cb 0.28 0.57 -0.04 0.00 -1.01 0.00 0.00 64.21 64.00 1ieh n SER 31 CO 0.00 0.00 0.00 -1.22 -3.01 0.00 0.00 175.04 170.81 1ieh n TYR 32 N -1.14 0.54 -3.49 1.43 4.02 -1.26 -5.06 117.16 112.21 1ieh n TYR 32 Ca 0.00 -2.11 -0.38 0.00 -0.01 0.00 0.00 57.90 55.40 1ieh n TYR 32 Cb 0.10 -0.31 -0.06 0.00 -0.02 0.00 0.00 39.34 39.04 1ieh n TYR 32 CO 0.00 0.00 0.00 -1.01 -1.01 0.00 0.00 176.86 174.84 1ieh s HIS 33 N -2.51 3.73 0.07 -0.72 3.76 -1.26 -4.66 115.29 113.70 1ieh s HIS 33 Ca 0.07 1.00 0.00 0.00 -0.15 0.00 0.00 55.06 55.99 1ieh s HIS 33 Cb -0.01 -2.31 -0.04 0.00 1.11 0.00 0.00 32.58 31.34 1ieh s HIS 33 CO 0.05 0.63 -0.04 -1.64 -0.85 0.00 0.00 174.74 172.88 1ieh s MET 34 N -1.02 0.68 -0.02 1.40 -1.94 -1.22 -1.05 119.30 116.13 1ieh s MET 34 Ca 0.24 -1.24 -0.28 0.00 -1.71 0.00 0.00 55.69 52.70 1ieh s MET 34 Cb -0.17 0.05 0.10 0.00 2.01 0.00 0.00 34.83 36.82 1ieh s MET 34 CO 0.13 -0.07 0.83 0.00 -0.01 0.00 0.00 175.02 175.90 1ieh s ALA 35 N -3.69 -1.80 -0.04 3.03 0.00 -0.11 -1.04 121.76 118.11 1ieh s ALA 35 Ca 0.08 1.11 -0.00 0.00 0.00 0.00 0.00 51.96 53.14 1ieh s ALA 35 Cb 0.06 0.17 -0.04 0.00 0.00 0.00 0.00 23.12 23.32 1ieh s ALA 35 CO -0.08 -0.56 0.02 -1.58 0.00 0.00 0.00 175.76 173.56 1ieh s TRP 36 N -2.45 3.17 0.28 0.00 0.52 0.59 -1.72 118.94 119.33 1ieh s TRP 36 Ca 0.00 0.16 0.06 0.00 0.02 0.00 0.00 56.10 56.34 1ieh s TRP 36 Cb -0.01 -1.74 -0.06 0.00 -1.15 0.00 0.00 33.47 30.52 1ieh s TRP 36 CO -0.04 0.49 -0.03 0.14 0.02 0.00 0.00 176.95 177.53 1ieh s VAL 37 N -1.03 1.49 0.02 4.03 -7.23 -0.17 -0.28 120.40 117.21 1ieh s VAL 37 Ca 0.18 -2.09 -0.05 0.00 -1.81 0.00 0.00 61.98 58.21 1ieh s VAL 37 Cb -0.12 -2.50 -0.01 0.00 0.56 0.00 0.00 36.38 34.32 1ieh s VAL 37 CO 0.08 -0.25 0.09 -0.60 -0.31 0.00 0.00 175.10 174.10 1ieh s ARG 38 N -3.77 0.48 -0.26 4.82 3.52 0.15 -1.65 118.95 122.23 1ieh s ARG 38 Ca 0.30 -0.55 -0.02 0.00 -0.13 0.00 0.00 55.73 55.34 1ieh s ARG 38 Cb 0.05 0.19 0.08 0.00 -1.56 0.00 0.00 34.95 33.71 1ieh s ARG 38 CO 0.12 -0.11 0.07 -1.14 -0.81 0.00 0.00 175.30 173.43 1ieh s GLN 39 N -1.75 0.65 0.46 5.12 -0.44 0.14 0.03 119.66 123.88 1ieh s GLN 39 Ca -0.12 -0.75 -0.20 0.00 -2.50 0.00 0.00 55.36 51.79 1ieh s GLN 39 Cb -0.06 -1.95 -0.10 0.00 -1.64 0.00 0.00 33.01 29.26 1ieh s GLN 39 CO -0.01 -0.84 1.00 0.00 0.50 0.00 0.00 175.29 175.94 1ieh s ALA 40 N 1.77 2.95 -0.42 1.58 0.00 -1.26 -2.22 121.76 124.16 1ieh s ALA 40 Ca 0.05 0.50 -0.40 0.00 0.00 0.00 0.00 51.96 52.11 1ieh s ALA 40 Cb -0.17 -3.20 -0.15 0.00 0.00 0.00 0.00 23.12 19.60 1ieh s ALA 40 CO -0.19 -0.11 2.14 -2.30 0.00 0.00 0.00 175.76 175.29 1ieh n PRO 41 N -0.85 0.58 -0.78 0.00 -0.02 -1.26 -2.18 135.00 130.49 1ieh n PRO 41 Ca 0.08 0.16 0.00 0.00 -2.02 0.00 0.00 63.50 61.72 1ieh n PRO 41 Cb 0.53 -2.00 0.00 0.00 -0.02 0.00 0.00 33.50 32.02 1ieh n PRO 41 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1ieh n GLY 42 N 6.83 0.54 1.17 -1.23 0.00 -1.26 -5.11 105.19 106.12 1ieh n GLY 42 Ca 0.47 -0.19 -0.04 0.00 0.00 0.00 0.00 46.02 46.25 1ieh n GLY 42 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1ieh n LYS 43 N -0.36 0.28 -0.06 1.61 4.81 -0.93 -5.09 118.16 118.43 1ieh n LYS 43 Ca 0.00 -0.87 -0.09 0.00 -0.87 0.00 0.00 58.31 56.48 1ieh n LYS 43 Cb 0.19 0.91 -0.05 0.00 0.02 0.00 0.00 35.03 36.10 1ieh n LYS 43 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1ieh n GLY 44 N -0.19 -0.17 0.00 3.14 0.00 -1.26 -4.93 105.19 101.78 1ieh n GLY 44 Ca -0.01 -0.07 0.00 0.00 0.00 0.00 0.00 46.02 45.94 1ieh n GLY 44 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1ieh n LEU 45 N -2.95 0.00 -3.66 0.99 7.94 -1.26 -4.91 117.00 113.16 1ieh n LEU 45 Ca -0.21 0.00 -0.09 0.00 -1.11 0.00 0.00 56.01 54.60 1ieh n LEU 45 Cb 0.71 0.00 -0.08 0.00 0.53 0.00 0.00 43.42 44.58 1ieh n LEU 45 CO 0.10 0.00 0.26 -0.70 -1.11 0.00 0.00 177.39 175.94 1ieh s GLU 46 N -2.00 0.62 -0.47 1.96 2.12 0.10 -4.93 118.70 116.10 1ieh s GLU 46 Ca 0.00 1.07 -0.28 0.00 0.36 0.00 0.00 54.97 56.12 1ieh s GLU 46 Cb 0.00 0.11 0.03 0.00 0.26 0.00 0.00 34.13 34.53 1ieh s GLU 46 CO 0.00 -0.15 1.10 -0.46 -0.54 0.00 0.00 175.26 175.21 1ieh s TRP 47 N 1.46 2.84 -0.09 5.30 -0.00 -1.26 0.32 118.94 127.51 1ieh s TRP 47 Ca -0.09 0.66 -0.01 0.00 -0.00 0.00 0.00 56.10 56.66 1ieh s TRP 47 Cb -0.06 -4.34 -0.01 0.00 -0.00 0.00 0.00 33.47 29.07 1ieh s TRP 47 CO -0.16 -1.23 0.04 -0.39 -0.00 0.00 0.00 176.95 175.21 1ieh h VAL 48 N 6.20 0.00 -3.77 5.86 -1.51 -0.97 -3.37 116.25 118.70 1ieh h VAL 48 Ca -0.23 -0.91 -0.41 0.00 -1.23 0.00 0.00 66.70 63.92 1ieh h VAL 48 Cb 1.06 0.00 -0.20 0.00 -2.13 0.00 0.00 31.29 30.03 1ieh h VAL 48 CO 1.11 0.00 -0.77 -0.44 -1.23 0.00 0.00 177.57 176.24 1ieh s SER 49 N -5.33 1.85 0.09 4.19 0.01 -1.03 -1.32 113.70 112.16 1ieh s SER 49 Ca -0.01 -0.72 0.06 0.00 1.31 0.00 0.00 55.95 56.59 1ieh s SER 49 Cb 0.00 -0.06 -0.03 0.00 0.21 0.00 0.00 66.02 66.14 1ieh s SER 49 CO 0.02 -0.11 -0.15 -0.89 0.41 0.00 0.00 173.24 172.51 1ieh s THR 50 N -1.74 1.26 -0.01 1.44 2.01 0.17 -0.30 115.64 118.46 1ieh s THR 50 Ca 0.04 -1.47 0.03 0.00 0.31 0.00 0.00 61.69 60.60 1ieh s THR 50 Cb -0.07 -1.28 -0.00 0.00 0.01 0.00 0.00 72.50 71.16 1ieh s THR 50 CO 0.03 -0.26 -0.09 -0.51 -0.69 0.00 0.00 174.62 173.09 1ieh s ILE 51 N -1.54 0.77 -0.22 1.82 2.07 -0.21 -2.96 121.20 120.93 1ieh s ILE 51 Ca 0.02 -0.40 0.01 0.00 -1.41 0.00 0.00 60.65 58.88 1ieh s ILE 51 Cb -0.08 -0.66 0.06 0.00 0.13 0.00 0.00 42.46 41.90 1ieh s ILE 51 CO 0.03 0.23 -0.06 0.21 -1.91 0.00 0.00 174.94 173.43 1ieh s ASN 52 N -0.08 3.70 1.06 4.50 2.47 -1.15 -3.42 114.94 122.01 1ieh s ASN 52 Ca 0.01 -1.09 -0.13 0.00 0.42 0.00 0.00 52.86 52.07 1ieh s ASN 52 Cb -0.05 -1.17 0.22 0.00 -1.45 0.00 0.00 41.25 38.79 1ieh s ASN 52 CO -0.00 -0.22 1.09 -2.16 -3.72 0.00 0.00 177.10 172.09 1ieh s PRO 53 N 1.41 -0.06 0.00 0.43 0.04 -1.26 -2.67 135.00 132.89 1ieh s PRO 53 Ca -0.05 0.44 0.00 0.00 0.04 0.00 0.00 61.00 61.43 1ieh s PRO 53 Cb -0.18 -1.69 0.00 0.00 0.04 0.00 0.00 34.50 32.67 1ieh s PRO 53 CO -0.07 -3.04 0.00 0.41 0.04 0.00 0.00 177.00 174.34 1ieh n GLY 54 N -0.84 0.80 2.01 0.56 0.00 -1.26 -4.61 105.19 101.85 1ieh n GLY 54 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.08 1ieh n GLY 54 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1ieh n ASP 55 N 0.00 -2.91 0.00 1.61 2.03 -1.26 -5.05 116.55 110.98 1ieh n ASP 55 Ca 0.00 0.65 0.00 0.00 0.52 0.00 0.00 54.79 55.96 1ieh n ASP 55 Cb 0.00 2.85 0.00 0.00 -0.72 0.00 0.00 41.12 43.25 1ieh n ASP 55 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1ieh n GLY 56 N -1.47 0.96 3.71 0.27 0.00 -1.09 -5.10 105.19 102.47 1ieh n GLY 56 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 1ieh n GLY 56 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1ieh n SER 57 N 0.00 3.54 -4.19 1.61 7.64 -1.25 -4.84 113.62 116.14 1ieh n SER 57 Ca 0.00 1.12 -0.28 0.00 1.01 0.00 0.00 58.87 60.73 1ieh n SER 57 Cb 0.00 -1.53 -0.16 0.00 -1.01 0.00 0.00 64.21 61.51 1ieh n SER 57 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 1ieh s THR 58 N 0.30 1.64 -0.05 0.44 -4.23 -1.26 -2.95 115.64 109.52 1ieh s THR 58 Ca 0.69 -0.84 0.04 0.00 -1.18 0.00 0.00 61.69 60.40 1ieh s THR 58 Cb -0.55 -1.39 -0.00 0.00 1.34 0.00 0.00 72.50 71.89 1ieh s THR 58 CO 0.45 0.46 -0.18 -0.31 -0.54 0.00 0.00 174.62 174.50 1ieh s TYR 59 N -0.11 1.79 0.47 3.99 1.51 -1.16 -5.01 117.35 118.83 1ieh s TYR 59 Ca -0.02 -0.55 0.05 0.00 -1.01 0.00 0.00 57.07 55.54 1ieh s TYR 59 Cb -0.11 -1.21 -0.03 0.00 -0.11 0.00 0.00 41.96 40.49 1ieh s TYR 59 CO 0.02 -0.20 0.12 0.71 -1.11 0.00 0.00 175.55 175.09 1ieh s TYR 60 N 0.11 2.17 -1.82 2.71 1.51 -1.26 -0.66 117.35 120.12 1ieh s TYR 60 Ca -0.06 -0.77 0.00 0.00 -1.01 0.00 0.00 57.07 55.23 1ieh s TYR 60 Cb -0.13 -1.79 0.00 0.00 -0.11 0.00 0.00 41.96 39.93 1ieh s TYR 60 CO 0.03 0.15 0.79 0.00 -1.11 0.00 0.00 175.55 175.41 1ieh n ALA 61 N -1.27 2.36 0.00 3.71 0.00 -0.43 -4.85 120.51 120.02 1ieh n ALA 61 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.36 1ieh n ALA 61 Cb 0.66 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 19.11 1ieh n ALA 61 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1ieh n ASP 62 N -0.40 0.00 -1.05 0.00 -0.08 -1.26 -4.53 116.55 109.23 1ieh n ASP 62 Ca 0.00 0.00 0.04 0.00 -1.51 0.00 0.00 54.79 53.32 1ieh n ASP 62 Cb 0.04 0.00 0.19 0.00 2.34 0.00 0.00 41.12 43.69 1ieh n ASP 62 CO 0.00 0.00 0.00 -0.24 0.12 0.00 0.00 177.20 177.08 1ieh n SER 63 N 1.84 2.97 0.00 1.67 2.88 -1.26 -3.66 113.62 118.05 1ieh n SER 63 Ca 0.00 -2.33 0.00 0.00 -1.33 0.00 0.00 58.87 55.21 1ieh n SER 63 Cb 0.00 -0.49 0.00 0.00 -0.75 0.00 0.00 64.21 62.97 1ieh n SER 63 CO 0.00 0.00 0.00 1.33 -1.23 0.00 0.00 175.04 175.14 1ieh n VAL 64 N 0.40 0.00 -2.08 2.46 0.24 -1.26 -4.99 118.33 113.10 1ieh n VAL 64 Ca 0.14 -0.02 -0.41 0.00 -2.04 0.00 0.00 64.34 62.01 1ieh n VAL 64 Cb 0.60 1.41 -0.02 0.00 -1.47 0.00 0.00 33.84 34.36 1ieh n VAL 64 CO 0.00 0.00 0.00 -0.75 -2.14 0.00 0.00 176.83 173.94 1ieh s LYS 65 N -0.02 4.32 0.00 7.34 2.47 -1.24 -1.33 119.74 131.28 1ieh s LYS 65 Ca 0.00 2.24 0.00 0.00 -1.56 0.00 0.00 55.97 56.65 1ieh s LYS 65 Cb 0.00 -3.09 0.00 0.00 -1.46 0.00 0.00 37.83 33.28 1ieh s LYS 65 CO 0.00 -0.28 0.00 0.41 0.16 0.00 0.00 175.35 175.64 1ieh n GLY 66 N 1.37 0.81 0.04 5.54 0.00 -1.26 -4.79 105.19 106.89 1ieh n GLY 66 Ca 0.03 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.01 1ieh n GLY 66 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1ieh n ARG 67 N -2.00 0.22 -4.06 1.61 3.00 -0.44 -4.87 116.66 110.12 1ieh n ARG 67 Ca 0.00 0.11 -0.22 0.00 -0.00 0.00 0.00 57.85 57.75 1ieh n ARG 67 Cb 0.00 -0.92 -0.04 0.00 0.00 0.00 0.00 32.46 31.51 1ieh n ARG 67 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.63 177.57 1ieh s PHE 68 N -1.78 3.16 -0.22 -0.14 0.08 -0.96 -2.47 117.98 115.64 1ieh s PHE 68 Ca -0.12 -0.11 0.02 0.00 0.12 0.00 0.00 56.93 56.84 1ieh s PHE 68 Cb 0.02 -1.47 0.04 0.00 -0.57 0.00 0.00 43.02 41.04 1ieh s PHE 68 CO 0.17 0.48 -0.13 0.99 -0.10 0.00 0.00 175.22 176.63 1ieh s THR 69 N -2.12 1.93 -0.26 0.64 2.01 -0.30 -4.88 115.64 112.66 1ieh s THR 69 Ca 0.34 -1.23 -0.09 0.00 0.31 0.00 0.00 61.69 61.02 1ieh s THR 69 Cb -0.08 -1.96 -0.04 0.00 0.01 0.00 0.00 72.50 70.43 1ieh s THR 69 CO 0.26 0.18 0.14 -0.51 -0.69 0.00 0.00 174.62 173.99 1ieh s ILE 70 N 1.26 4.94 0.11 1.82 2.07 -1.26 -0.37 121.20 129.78 1ieh s ILE 70 Ca -0.03 0.04 -0.23 0.00 -1.41 0.00 0.00 60.65 59.02 1ieh s ILE 70 Cb -0.17 -3.33 0.06 0.00 0.13 0.00 0.00 42.46 39.16 1ieh s ILE 70 CO -0.08 0.31 0.57 -0.55 -1.91 0.00 0.00 174.94 173.27 1ieh s SER 71 N 1.53 -0.51 0.27 4.50 0.15 -0.19 -4.95 113.70 114.50 1ieh s SER 71 Ca 0.07 0.07 0.00 0.00 0.70 0.00 0.00 55.95 56.79 1ieh s SER 71 Cb -0.15 0.56 -0.03 0.00 -1.71 0.00 0.00 66.02 64.69 1ieh s SER 71 CO 0.07 -0.87 0.27 0.00 1.20 0.00 0.00 173.24 173.91 1ieh s ARG 72 N -3.25 1.54 0.53 5.44 1.70 -1.26 -0.32 118.95 123.32 1ieh s ARG 72 Ca -0.01 -1.74 0.07 0.00 -0.47 0.00 0.00 55.73 53.59 1ieh s ARG 72 Cb -0.00 0.34 0.04 0.00 -0.57 0.00 0.00 34.95 34.76 1ieh s ARG 72 CO -0.08 -0.57 0.53 0.34 -1.08 0.00 0.00 175.30 174.43 1ieh s ASP 73 N -3.23 4.88 0.19 -2.89 2.15 -1.26 -5.02 116.67 111.50 1ieh s ASP 73 Ca 0.36 -1.01 0.05 0.00 0.43 0.00 0.00 52.55 52.39 1ieh s ASP 73 Cb 0.03 0.18 -0.04 0.00 -0.30 0.00 0.00 42.92 42.80 1ieh s ASP 73 CO 0.18 -1.09 0.17 0.20 -0.17 0.00 0.00 175.17 174.46 1ieh s ASN 74 N -4.38 5.63 -1.68 -0.34 0.01 -1.26 -4.47 114.94 108.45 1ieh s ASN 74 Ca 0.46 -0.12 0.00 0.00 -0.71 0.00 0.00 52.86 52.48 1ieh s ASN 74 Cb -0.04 -1.49 0.00 0.00 0.41 0.00 0.00 41.25 40.13 1ieh s ASN 74 CO 0.28 0.03 0.00 0.00 -1.51 0.00 0.00 177.10 175.91 1ieh n ALA 75 N -0.62 -0.62 -3.60 0.60 0.00 -1.26 -4.95 120.51 110.06 1ieh n ALA 75 Ca -0.08 0.17 -0.13 0.00 0.00 0.00 0.00 53.44 53.40 1ieh n ALA 75 Cb 0.56 -2.04 -0.07 0.00 0.00 0.00 0.00 19.45 17.89 1ieh n ALA 75 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 1ieh s LYS 76 N -4.90 0.76 -1.18 0.00 2.20 -1.26 -5.08 119.74 110.28 1ieh s LYS 76 Ca 0.00 0.99 -0.16 0.00 -0.36 0.00 0.00 55.97 56.44 1ieh s LYS 76 Cb 0.00 0.33 0.13 0.00 -1.51 0.00 0.00 37.83 36.78 1ieh s LYS 76 CO 0.00 -0.11 1.47 0.54 -0.36 0.00 0.00 175.35 176.89 1ieh s ASN 77 N 0.62 6.92 -0.13 1.43 2.20 -1.26 -4.25 114.94 120.48 1ieh s ASN 77 Ca -0.02 -2.64 -0.15 0.00 -0.94 0.00 0.00 52.86 49.10 1ieh s ASN 77 Cb -0.05 -2.45 0.04 0.00 -2.00 0.00 0.00 41.25 36.79 1ieh s ASN 77 CO -0.03 -0.94 0.42 0.42 -2.94 0.00 0.00 177.10 174.03 1ieh s THR 78 N 2.57 0.01 -0.05 0.54 -4.23 -1.25 -2.73 115.64 110.50 1ieh s THR 78 Ca 0.44 -0.08 0.06 0.00 -1.18 0.00 0.00 61.69 60.93 1ieh s THR 78 Cb -0.01 -0.61 -0.01 0.00 1.34 0.00 0.00 72.50 73.20 1ieh s THR 78 CO 0.00 -0.04 -0.24 -0.22 -0.54 0.00 0.00 174.62 173.58 1ieh s LEU 79 N -0.10 2.04 -0.01 4.79 0.20 0.22 -4.02 118.68 121.81 1ieh s LEU 79 Ca -0.03 -0.47 0.06 0.00 0.69 0.00 0.00 54.13 54.38 1ieh s LEU 79 Cb -0.03 -1.28 -0.02 0.00 -0.43 0.00 0.00 46.19 44.43 1ieh s LEU 79 CO 0.02 0.24 -0.18 -0.31 -0.29 0.00 0.00 176.35 175.83 1ieh s TYR 80 N -0.21 1.59 -0.05 5.38 1.51 0.56 0.32 117.35 126.44 1ieh s TYR 80 Ca -0.01 -0.31 0.01 0.00 -1.01 0.00 0.00 57.07 55.75 1ieh s TYR 80 Cb -0.13 -1.01 0.02 0.00 -0.11 0.00 0.00 41.96 40.74 1ieh s TYR 80 CO 0.03 -0.01 -0.07 -1.17 -1.11 0.00 0.00 175.55 173.22 1ieh s LEU 81 N -0.53 1.44 -0.44 -1.29 2.96 -0.15 -1.03 118.68 119.64 1ieh s LEU 81 Ca 0.07 -0.18 -0.12 0.00 -0.22 0.00 0.00 54.13 53.68 1ieh s LEU 81 Cb -0.07 -0.55 0.07 0.00 0.50 0.00 0.00 46.19 46.14 1ieh s LEU 81 CO -0.00 -0.03 0.32 -1.58 -1.32 0.00 0.00 176.35 173.74 1ieh s GLN 82 N 0.81 2.78 -0.70 1.98 2.00 0.50 -1.20 119.66 125.84 1ieh s GLN 82 Ca -0.13 -1.40 -0.26 0.00 -2.00 0.00 0.00 55.36 51.58 1ieh s GLN 82 Cb -0.15 -3.93 0.04 0.00 0.80 0.00 0.00 33.01 29.77 1ieh s GLN 82 CO 0.01 -0.98 1.17 -1.64 -0.50 0.00 0.00 175.29 173.35 1ieh s MET 83 N 1.52 3.20 0.45 1.67 -1.94 0.17 -1.14 119.30 123.22 1ieh s MET 83 Ca 0.03 -0.38 0.06 0.00 -1.71 0.00 0.00 55.69 53.70 1ieh s MET 83 Cb -0.23 -4.18 -0.04 0.00 2.01 0.00 0.00 34.83 32.39 1ieh s MET 83 CO 0.04 -1.99 0.16 -0.80 -0.01 0.00 0.00 175.02 172.42 1ieh s ASN 84 N 3.62 4.32 -1.36 3.03 -0.87 -1.03 -2.18 114.94 120.47 1ieh s ASN 84 Ca 0.32 -1.24 -0.04 0.00 -1.57 0.00 0.00 52.86 50.34 1ieh s ASN 84 Cb -0.11 -0.19 0.02 0.00 -0.02 0.00 0.00 41.25 40.95 1ieh s ASN 84 CO 0.15 -0.65 0.78 -1.20 -2.57 0.00 0.00 177.10 173.61 1ieh n SER 85 N -1.27 -2.17 -4.77 -1.22 7.64 -1.26 -4.54 113.62 106.03 1ieh n SER 85 Ca -0.05 -0.80 -0.33 0.00 1.01 0.00 0.00 58.87 58.70 1ieh n SER 85 Cb 0.65 -4.06 0.05 0.00 -1.01 0.00 0.00 64.21 59.84 1ieh n SER 85 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1ieh s LEU 86 N -6.83 3.42 0.00 -3.43 2.01 -1.26 -4.85 118.68 107.74 1ieh s LEU 86 Ca 0.17 2.05 0.00 0.00 0.01 0.00 0.00 54.13 56.36 1ieh s LEU 86 Cb -0.09 -4.56 0.00 0.00 0.01 0.00 0.00 46.19 41.56 1ieh s LEU 86 CO 0.81 -1.64 0.00 2.29 1.01 0.00 0.00 176.35 178.82 1ieh n LYS 87 N -2.32 0.00 0.00 1.70 0.00 -1.26 -3.26 118.16 113.02 1ieh n LYS 87 Ca 0.11 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.42 1ieh n LYS 87 Cb 0.52 -0.03 0.00 0.00 -0.00 0.00 0.00 35.03 35.52 1ieh n LYS 87 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.40 177.85 1ieh n SER 88 N -2.35 0.00 0.32 -5.58 2.88 -1.26 -4.80 113.62 102.83 1ieh n SER 88 Ca 0.00 0.00 0.20 0.00 -1.33 0.00 0.00 58.87 57.74 1ieh n SER 88 Cb 0.00 0.11 1.07 0.00 -0.75 0.00 0.00 64.21 64.64 1ieh n SER 88 CO 0.00 0.00 0.00 1.05 -1.23 0.00 0.00 175.04 174.86 1ieh h GLU 89 N 0.00 0.00 -0.24 -1.46 4.11 -1.98 -0.99 114.58 114.02 1ieh h GLU 89 Ca 0.00 0.00 -0.03 0.00 0.07 0.00 0.00 59.36 59.40 1ieh h GLU 89 Cb 0.00 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.24 1ieh h GLU 89 CO 0.00 0.00 -0.00 -0.44 0.07 0.00 0.00 179.01 178.64 1ieh h ASP 90 N 0.00 0.33 -1.94 3.06 3.32 -1.95 -3.40 116.42 115.83 1ieh h ASP 90 Ca 0.01 -0.05 -0.50 0.00 0.02 0.00 0.00 57.03 56.51 1ieh h ASP 90 Cb 0.21 -0.08 -0.02 0.00 0.22 0.00 0.00 39.33 39.66 1ieh h ASP 90 CO -0.00 0.39 1.44 -0.89 -1.72 0.00 0.00 179.24 178.46 1ieh s THR 91 N -4.98 3.24 -0.07 0.35 2.01 -0.38 -4.75 115.64 111.06 1ieh s THR 91 Ca -0.07 0.16 -0.30 0.00 0.31 0.00 0.00 61.69 61.79 1ieh s THR 91 Cb 0.16 -3.57 0.10 0.00 0.01 0.00 0.00 72.50 69.20 1ieh s THR 91 CO 0.74 -0.53 1.35 0.00 -0.69 0.00 0.00 174.62 175.49 1ieh s ALA 92 N 9.84 -2.66 -0.05 7.40 0.00 0.43 -4.64 121.76 132.08 1ieh s ALA 92 Ca 0.80 0.18 -0.19 0.00 0.00 0.00 0.00 51.96 52.75 1ieh s ALA 92 Cb -0.16 0.88 -0.05 0.00 0.00 0.00 0.00 23.12 23.79 1ieh s ALA 92 CO 0.24 -1.16 0.53 0.08 0.00 0.00 0.00 175.76 175.45 1ieh s VAL 93 N -2.02 5.03 0.19 0.00 1.01 -0.94 -1.40 120.40 122.27 1ieh s VAL 93 Ca 0.30 1.09 0.10 0.00 0.00 0.00 0.00 61.98 63.46 1ieh s VAL 93 Cb 0.00 -3.86 -0.04 0.00 0.00 0.00 0.00 36.38 32.48 1ieh s VAL 93 CO -0.02 0.40 -0.14 -0.31 0.00 0.00 0.00 175.10 175.03 1ieh s TYR 94 N 0.02 2.53 0.15 5.22 1.51 -0.31 0.24 117.35 126.71 1ieh s TYR 94 Ca 0.28 -0.26 -0.06 0.00 -1.01 0.00 0.00 57.07 56.02 1ieh s TYR 94 Cb -0.17 -1.24 -0.02 0.00 -0.11 0.00 0.00 41.96 40.43 1ieh s TYR 94 CO 0.14 0.51 0.20 0.71 -1.11 0.00 0.00 175.55 176.00 1ieh s TYR 95 N -1.72 0.58 -0.22 2.71 1.51 -0.66 -2.34 117.35 117.21 1ieh s TYR 95 Ca 0.24 -0.95 -0.03 0.00 -1.01 0.00 0.00 57.07 55.32 1ieh s TYR 95 Cb -0.08 -0.22 0.07 0.00 -0.11 0.00 0.00 41.96 41.61 1ieh s TYR 95 CO 0.14 -0.64 0.06 0.00 -1.11 0.00 0.00 175.55 173.99 1ieh s ALA 97 N 1.86 2.59 0.18 0.00 0.00 -0.70 -4.80 121.76 120.89 1ieh s ALA 97 Ca 0.02 -2.12 -0.27 0.00 0.00 0.00 0.00 51.96 49.59 1ieh s ALA 97 Cb -0.17 0.49 -0.08 0.00 0.00 0.00 0.00 23.12 23.36 1ieh s ALA 97 CO -0.13 -0.24 0.83 0.21 0.00 0.00 0.00 175.76 176.43 1ieh s LYS 98 N -3.83 4.65 0.66 0.00 2.20 -1.26 -0.93 119.74 121.24 1ieh s LYS 98 Ca 0.36 1.26 -0.08 0.00 -0.36 0.00 0.00 55.97 57.14 1ieh s LYS 98 Cb 0.09 -3.28 0.03 0.00 -1.51 0.00 0.00 37.83 33.15 1ieh s LYS 98 CO 0.16 0.52 1.00 -0.47 -0.36 0.00 0.00 175.35 176.21 1ieh s TYR 99 N -1.03 3.19 0.01 4.03 5.04 -0.22 -4.25 117.35 124.12 1ieh s TYR 99 Ca 0.38 0.74 0.00 0.00 -2.44 0.00 0.00 57.07 55.75 1ieh s TYR 99 Cb -0.24 -2.99 0.00 0.00 0.35 0.00 0.00 41.96 39.09 1ieh s TYR 99 CO 0.28 -1.12 0.00 0.43 -1.34 0.00 0.00 175.55 173.80 1ieh n SER 100 N -2.83 0.02 0.00 4.32 7.64 -1.25 -4.59 113.62 116.92 1ieh n SER 100 Ca 0.06 0.01 0.00 0.00 1.01 0.00 0.00 58.87 59.95 1ieh n SER 100 Cb 0.58 -0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.78 1ieh n SER 100 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1ieh n GLY 101 N 2.78 0.00 0.00 0.23 0.00 -1.26 -4.99 105.19 101.95 1ieh n GLY 101 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1ieh n GLY 101 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ieh n GLY 102 N 0.06 0.00 3.63 -0.02 0.00 -1.26 -5.16 105.19 102.44 1ieh n GLY 102 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.94 1ieh n GLY 102 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ieh s ALA 103 N 0.00 -2.02 0.34 4.61 0.00 -1.26 -5.14 121.76 118.29 1ieh s ALA 103 Ca 0.00 1.79 -0.07 0.00 0.00 0.00 0.00 51.96 53.68 1ieh s ALA 103 Cb 0.00 -1.39 -0.05 0.00 0.00 0.00 0.00 23.12 21.67 1ieh s ALA 103 CO 0.00 -0.22 0.64 -1.17 0.00 0.00 0.00 175.76 175.01 1ieh s LEU 104 N -0.08 3.95 -0.20 0.00 2.96 -1.26 -3.90 118.68 120.15 1ieh s LEU 104 Ca 0.03 0.86 0.11 0.00 -0.22 0.00 0.00 54.13 54.91 1ieh s LEU 104 Cb -0.04 -3.71 -0.20 0.00 0.50 0.00 0.00 46.19 42.74 1ieh s LEU 104 CO -0.07 -0.30 -0.04 -0.67 -1.32 0.00 0.00 176.35 173.96 1ieh n ASP 105 N -1.19 1.04 -1.84 3.68 2.03 -1.26 -5.05 116.55 113.97 1ieh n ASP 105 Ca -0.00 -0.05 0.00 0.00 0.52 0.00 0.00 54.79 55.26 1ieh n ASP 105 Cb 0.54 0.47 0.00 0.00 -0.72 0.00 0.00 41.12 41.41 1ieh n ASP 105 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1ieh n ALA 106 N -2.87 -2.20 -1.59 -1.67 0.00 -1.26 -5.07 120.51 105.85 1ieh n ALA 106 Ca -0.35 0.40 0.00 0.00 0.00 0.00 0.00 53.44 53.49 1ieh n ALA 106 Cb 1.05 -1.29 0.00 0.00 0.00 0.00 0.00 19.45 19.21 1ieh n ALA 106 CO 0.00 0.00 0.00 0.91 0.00 0.00 0.00 177.50 178.41 1ieh n TRP 107 N 1.59 0.00 -0.75 0.00 8.01 -1.26 -4.95 117.44 120.08 1ieh n TRP 107 Ca 0.00 0.00 0.00 0.00 -1.31 0.00 0.00 57.50 56.19 1ieh n TRP 107 Cb 0.00 0.00 0.00 0.00 -2.01 0.00 0.00 31.31 29.30 1ieh n TRP 107 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 1ieh n GLY 108 N 3.84 2.45 7.00 6.99 0.00 -1.26 -4.92 105.19 119.28 1ieh n GLY 108 Ca 0.00 -1.83 0.00 0.00 0.00 0.00 0.00 46.02 44.19 1ieh n GLY 108 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1ieh n GLN 109 N 0.00 0.00 0.00 1.61 6.02 -0.86 -4.77 117.38 119.38 1ieh n GLN 109 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.99 1ieh n GLN 109 Cb 0.00 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.26 1ieh n GLN 109 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1ieh n GLY 110 N 0.00 0.68 3.72 1.08 0.00 -1.25 -4.83 105.19 104.60 1ieh n GLY 110 Ca 0.00 -0.46 -0.40 0.00 0.00 0.00 0.00 46.02 45.15 1ieh n GLY 110 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1ieh s THR 111 N -0.76 4.95 -0.46 2.61 -1.32 -0.99 -4.91 115.64 114.77 1ieh s THR 111 Ca 0.00 1.67 -0.20 0.00 -1.21 0.00 0.00 61.69 61.95 1ieh s THR 111 Cb 0.00 -4.14 0.03 0.00 -1.51 0.00 0.00 72.50 66.88 1ieh s THR 111 CO 0.00 0.23 0.62 -1.58 -2.21 0.00 0.00 174.62 171.68 1ieh s GLN 112 N 0.78 3.21 -0.18 7.08 2.00 -1.26 -1.17 119.66 130.12 1ieh s GLN 112 Ca 0.42 -0.58 -0.07 0.00 -2.00 0.00 0.00 55.36 53.14 1ieh s GLN 112 Cb -0.19 -4.00 -0.04 0.00 0.80 0.00 0.00 33.01 29.58 1ieh s GLN 112 CO 0.22 -1.06 0.05 0.08 -0.50 0.00 0.00 175.29 174.08 1ieh s VAL 113 N 2.70 4.64 0.02 1.34 1.01 -0.49 -4.21 120.40 125.42 1ieh s VAL 113 Ca 0.19 -0.09 0.03 0.00 0.00 0.00 0.00 61.98 62.11 1ieh s VAL 113 Cb -0.16 -3.09 -0.02 0.00 0.00 0.00 0.00 36.38 33.12 1ieh s VAL 113 CO 0.16 0.46 -0.08 -0.89 0.00 0.00 0.00 175.10 174.75 1ieh s THR 114 N 0.38 0.63 -0.27 3.92 2.01 -1.00 -0.43 115.64 120.88 1ieh s THR 114 Ca 0.02 -0.73 -0.01 0.00 0.31 0.00 0.00 61.69 61.27 1ieh s THR 114 Cb -0.13 -0.61 0.04 0.00 0.01 0.00 0.00 72.50 71.82 1ieh s THR 114 CO 0.01 -0.10 -0.03 -0.69 -0.69 0.00 0.00 174.62 173.11 1ieh s VAL 115 N -0.78 2.89 -1.25 3.82 1.01 -1.26 -2.07 120.40 122.76 1ieh s VAL 115 Ca -0.03 -1.24 -0.17 0.00 0.00 0.00 0.00 61.98 60.54 1ieh s VAL 115 Cb -0.06 -2.58 0.10 0.00 0.00 0.00 0.00 36.38 33.84 1ieh s VAL 115 CO 0.00 0.03 1.63 -0.44 0.00 0.00 0.00 175.10 176.32 1ieh s SER 116 N 1.27 6.88 0.79 3.32 0.01 0.16 -4.91 113.70 121.22 1ieh s SER 116 Ca -0.03 -2.53 -0.02 0.00 1.31 0.00 0.00 55.95 54.68 1ieh s SER 116 Cb -0.18 -2.53 0.04 0.00 0.21 0.00 0.00 66.02 63.56 1ieh s SER 116 CO -0.03 -1.07 0.24 -1.54 0.41 0.00 0.00 173.24 171.25 1ieh n SER 117 N 7.65 0.12 0.00 2.44 3.41 -1.26 -4.64 113.62 121.33 1ieh n SER 117 Ca 0.44 -1.15 0.00 0.00 -0.26 0.00 0.00 58.87 57.90 1ieh n SER 117 Cb 0.45 -0.17 0.00 0.00 -0.26 0.00 0.00 64.21 64.23 1ieh n SER 117 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1ieh n GLN 118 N -1.49 0.00 0.00 4.33 1.13 -1.26 -5.04 117.38 115.05 1ieh n GLN 118 Ca 0.03 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.09 1ieh n GLN 118 Cb 0.12 0.00 0.00 0.00 0.11 0.00 0.00 30.24 30.47 1ieh n GLN 118 CO 0.00 0.00 0.00 0.43 -1.44 0.00 0.00 177.06 176.05 1ieh n SER 119 N -2.42 0.00 -1.17 1.08 7.64 -1.26 -4.92 113.62 112.57 1ieh n SER 119 Ca 0.00 0.00 0.10 0.00 1.01 0.00 0.00 58.87 59.98 1ieh n SER 119 Cb 0.00 0.00 -0.02 0.00 -1.01 0.00 0.00 64.21 63.18 1ieh n SER 119 CO 0.00 0.00 0.00 1.21 -3.01 0.00 0.00 175.04 173.24 1ieh n GLU 120 N 0.00 -1.46 0.00 1.43 4.07 -1.26 -4.95 120.64 118.47 1ieh n GLU 120 Ca 0.00 0.96 0.00 0.00 -0.06 0.00 0.00 57.16 58.06 1ieh n GLU 120 Cb 0.00 -1.78 0.00 0.00 -0.06 0.00 0.00 31.44 29.60 1ieh n GLU 120 CO 0.00 0.00 0.00 1.04 -0.06 0.00 0.00 177.13 178.11 1ieh n GLN 121 N -3.02 0.00 -3.95 5.31 6.02 -1.26 -5.06 117.38 115.41 1ieh n GLN 121 Ca 0.00 0.00 -0.35 0.00 -0.01 0.00 0.00 57.00 56.65 1ieh n GLN 121 Cb 0.33 0.00 -0.14 0.00 1.02 0.00 0.00 30.24 31.45 1ieh n GLN 121 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 177.06 176.20 1ieh s LYS 122 N -0.79 3.11 -0.04 -1.09 1.02 -1.26 -5.09 119.74 115.60 1ieh s LYS 122 Ca 0.00 -0.79 -0.01 0.00 0.02 0.00 0.00 55.97 55.19 1ieh s LYS 122 Cb 0.00 -2.94 0.03 0.00 -0.52 0.00 0.00 37.83 34.39 1ieh s LYS 122 CO 0.00 -0.28 0.02 -1.17 -0.92 0.00 0.00 175.35 173.00 1ieh s LEU 123 N 1.40 0.79 0.24 3.17 2.96 -1.26 -5.14 118.68 120.84 1ieh s LEU 123 Ca 0.04 0.01 -0.29 0.00 -0.22 0.00 0.00 54.13 53.66 1ieh s LEU 123 Cb -0.15 -0.20 -0.09 0.00 0.50 0.00 0.00 46.19 46.25 1ieh s LEU 123 CO -0.05 -0.16 0.92 -0.51 -1.32 0.00 0.00 176.35 175.23 1ieh s ILE 124 N 1.47 4.10 -0.05 6.68 2.07 -1.26 -5.03 121.20 129.19 1ieh s ILE 124 Ca -0.04 2.04 -0.27 0.00 -1.41 0.00 0.00 60.65 60.97 1ieh s ILE 124 Cb -0.13 -4.30 -0.03 0.00 0.13 0.00 0.00 42.46 38.13 1ieh s ILE 124 CO -0.03 0.49 0.86 -0.94 -1.91 0.00 0.00 174.94 173.41 1ieh s SER 125 N -1.19 7.18 -0.28 4.50 1.04 -1.26 -4.98 113.70 118.70 1ieh s SER 125 Ca 0.41 1.43 -0.28 0.00 0.48 0.00 0.00 55.95 57.98 1ieh s SER 125 Cb -0.25 -2.50 -0.03 0.00 0.10 0.00 0.00 66.02 63.34 1ieh s SER 125 CO 0.31 -0.23 1.86 -1.61 0.98 0.00 0.00 173.24 174.55 1ieh s GLU 126 N 1.10 3.40 0.00 4.02 8.01 -1.26 -4.53 118.70 129.43 1ieh s GLU 126 Ca 0.45 1.62 0.00 0.00 0.01 0.00 0.00 54.97 57.05 1ieh s GLU 126 Cb -0.19 -4.20 0.00 0.00 -4.31 0.00 0.00 34.13 25.42 1ieh s GLU 126 CO 0.22 -1.78 0.00 -1.91 0.01 0.00 0.00 175.26 171.80 1ieh n GLU 127 N 8.35 0.00 0.00 1.61 2.13 -1.26 -5.03 120.64 126.43 1ieh n GLU 127 Ca 0.23 0.00 0.00 0.00 0.66 0.00 0.00 57.16 58.05 1ieh n GLU 127 Cb 0.46 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.17 1ieh n GLU 127 CO 0.00 0.00 0.00 -0.25 -0.41 0.00 0.00 177.13 176.47 1ieh n ASP 128 N 0.00 0.00 -2.25 4.31 8.00 -1.26 -5.10 116.55 120.24 1ieh n ASP 128 Ca 0.00 0.06 -0.00 0.00 0.71 0.00 0.00 54.79 55.56 1ieh n ASP 128 Cb 0.31 -0.30 -0.00 0.00 -0.02 0.00 0.00 41.12 41.11 1ieh n ASP 128 CO 0.00 0.00 0.00 -0.11 -0.39 0.00 0.00 177.20 176.70 1ieh n LEU 129 N -1.96 -6.28 0.27 0.64 -0.00 -1.26 -4.81 117.00 103.61 1ieh n LEU 129 Ca 0.00 2.62 0.11 0.00 -0.00 0.00 0.00 56.01 58.73 1ieh n LEU 129 Cb 0.00 -3.08 0.74 0.00 -0.00 0.00 0.00 43.42 41.08 1ieh n LEU 129 CO 0.00 -2.74 1.07 0.78 -0.00 0.00 0.00 177.39 176.50 1ieh h ASN 130 N 3.92 0.00 -0.49 1.96 2.35 -2.07 -3.47 115.58 117.77 1ieh h ASN 130 Ca -0.02 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.73 1ieh h ASN 130 Cb 0.04 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.41 1ieh h ASN 130 CO 0.00 0.03 0.00 1.41 -1.65 0.00 0.00 177.43 177.22 1ieh n HIS 131 N -4.17 -1.44 -2.23 1.19 8.25 -1.26 -4.82 115.22 110.74 1ieh n HIS 131 Ca -0.03 0.00 -0.26 0.00 -0.26 0.00 0.00 57.72 57.18 1ieh n HIS 131 Cb 0.12 0.23 0.07 0.00 1.12 0.00 0.00 29.99 31.52 1ieh n HIS 131 CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 1ieh s HIS 132 N 0.00 2.83 0.10 4.41 2.46 -1.26 -5.11 115.29 118.71 1ieh s HIS 132 Ca 0.00 0.39 0.04 0.00 0.47 0.00 0.00 55.06 55.96 1ieh s HIS 132 Cb 0.00 -3.19 -0.04 0.00 -0.13 0.00 0.00 32.58 29.22 1ieh s HIS 132 CO 0.00 -1.43 -0.11 -3.38 -2.47 0.00 0.00 174.74 167.35 1ieh s HIS 133 N -3.24 1.10 -0.12 3.88 -3.43 -1.26 -5.05 115.29 107.18 1ieh s HIS 133 Ca 0.61 -0.63 0.16 0.00 -0.80 0.00 0.00 55.06 54.40 1ieh s HIS 133 Cb -0.10 -0.60 0.38 0.00 -1.43 0.00 0.00 32.58 30.83 1ieh s HIS 133 CO 0.45 0.02 1.18 0.72 -2.00 0.00 0.00 174.74 175.11 1ieh n HIS 134 N 0.59 0.00 1.76 0.38 8.25 -1.26 -5.34 115.22 119.61 1ieh n HIS 134 Ca -0.16 -1.01 0.15 0.00 -0.26 0.00 0.00 57.72 56.44 1ieh n HIS 134 Cb 0.57 -0.19 0.75 0.00 1.12 0.00 0.00 29.99 32.24 1ieh n HIS 134 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70