#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ieh s VAL 2 N 0.00 4.57 0.18 2.53 -7.23 -1.26 -5.09 120.40 114.10 1ieh s VAL 2 Ca 0.00 1.12 0.08 0.00 -1.81 0.00 0.00 61.98 61.37 1ieh s VAL 2 Cb 0.00 -3.73 -0.04 0.00 0.56 0.00 0.00 36.38 33.17 1ieh s VAL 2 CO 0.00 -0.68 -0.16 -1.58 -0.31 0.00 0.00 175.10 172.37 1ieh s GLN 3 N -4.08 1.26 0.35 4.82 0.74 -1.26 -5.05 119.66 116.44 1ieh s GLN 3 Ca 0.58 -1.46 0.03 0.00 0.05 0.00 0.00 55.36 54.56 1ieh s GLN 3 Cb -0.10 -1.17 -0.04 0.00 1.10 0.00 0.00 33.01 32.80 1ieh s GLN 3 CO 0.32 0.22 0.13 -0.51 -0.55 0.00 0.00 175.29 174.90 1ieh s LEU 4 N -2.93 1.87 -0.11 3.68 1.43 -1.26 -2.97 118.68 118.40 1ieh s LEU 4 Ca 0.18 -1.57 -0.02 0.00 -1.03 0.00 0.00 54.13 51.69 1ieh s LEU 4 Cb -0.03 -0.01 0.04 0.00 0.03 0.00 0.00 46.19 46.21 1ieh s LEU 4 CO 0.06 -0.86 0.00 -1.10 0.23 0.00 0.00 176.35 174.69 1ieh s GLN 5 N -3.79 0.72 -0.07 1.70 -0.21 -0.76 -3.35 119.66 113.90 1ieh s GLN 5 Ca 0.32 -0.07 0.00 0.00 0.02 0.00 0.00 55.36 55.62 1ieh s GLN 5 Cb 0.05 -1.35 -0.03 0.00 1.00 0.00 0.00 33.01 32.68 1ieh s GLN 5 CO 0.16 -0.39 -0.06 0.00 -2.12 0.00 0.00 175.29 172.88 1ieh s ALA 6 N 1.91 3.02 0.18 6.09 0.00 -1.26 -0.36 121.76 131.34 1ieh s ALA 6 Ca 0.03 -0.88 -0.20 0.00 0.00 0.00 0.00 51.96 50.92 1ieh s ALA 6 Cb -0.14 -1.27 0.07 0.00 0.00 0.00 0.00 23.12 21.78 1ieh s ALA 6 CO -0.06 0.56 0.96 0.45 0.00 0.00 0.00 175.76 177.67 1ieh n SER 7 N 2.25 -1.64 0.00 0.00 2.88 -0.62 -3.71 113.62 112.78 1ieh n SER 7 Ca -0.18 -1.87 0.00 0.00 -1.33 0.00 0.00 58.87 55.49 1ieh n SER 7 Cb 0.53 2.66 0.00 0.00 -0.75 0.00 0.00 64.21 66.65 1ieh n SER 7 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1ieh n GLY 8 N -0.67 0.68 3.53 0.46 0.00 -1.26 -2.03 105.19 105.90 1ieh n GLY 8 Ca -0.02 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.71 1ieh n GLY 8 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1ieh s GLY 9 N -1.75 1.53 0.04 -0.02 0.00 -1.26 -4.64 107.32 101.22 1ieh s GLY 9 Ca 0.00 -0.43 -0.11 0.00 0.00 0.00 0.00 44.72 44.18 1ieh s GLY 9 CO 0.00 0.32 0.51 0.61 0.00 0.00 0.00 173.10 174.55 1ieh n GLY 10 N 0.03 0.75 3.57 0.20 0.00 -1.23 -4.89 105.19 103.62 1ieh n GLY 10 Ca 0.06 -0.98 -0.39 0.00 0.00 0.00 0.00 46.02 44.70 1ieh n GLY 10 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1ieh s LEU 11 N 0.00 4.22 0.00 0.99 2.96 -1.26 -2.27 118.68 123.32 1ieh s LEU 11 Ca 0.12 -0.05 0.01 0.00 -0.22 0.00 0.00 54.13 53.98 1ieh s LEU 11 Cb -0.01 -2.28 0.01 0.00 0.50 0.00 0.00 46.19 44.41 1ieh s LEU 11 CO 0.01 -0.20 0.04 1.33 -1.32 0.00 0.00 176.35 176.21 1ieh n VAL 12 N 5.14 0.00 -4.40 1.68 0.24 -0.41 -4.98 118.33 115.59 1ieh n VAL 12 Ca -0.11 -1.09 -0.30 0.00 -2.04 0.00 0.00 64.34 60.81 1ieh n VAL 12 Cb 0.51 0.11 -0.12 0.00 -1.47 0.00 0.00 33.84 32.86 1ieh n VAL 12 CO 0.00 0.00 0.00 -1.10 -2.14 0.00 0.00 176.83 173.59 1ieh s GLN 13 N -2.89 1.85 -0.89 7.34 -0.21 -1.25 -0.89 119.66 122.72 1ieh s GLN 13 Ca 0.03 -1.13 -0.18 0.00 0.02 0.00 0.00 55.36 54.10 1ieh s GLN 13 Cb -0.00 -2.13 -0.24 0.00 1.00 0.00 0.00 33.01 31.64 1ieh s GLN 13 CO 0.02 0.50 2.31 -2.30 -2.12 0.00 0.00 175.29 173.70 1ieh n PRO 14 N 1.00 0.28 0.00 2.91 -0.02 -1.26 -0.11 135.00 137.81 1ieh n PRO 14 Ca -0.16 -0.34 0.00 0.00 -2.02 0.00 0.00 63.50 60.98 1ieh n PRO 14 Cb 0.53 -2.25 0.00 0.00 -0.02 0.00 0.00 33.50 31.76 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 6.12 1.90 0.00 -1.23 0.00 -1.17 -4.86 105.19 105.95 1ieh n GLY 15 Ca 0.58 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.60 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 -0.03 1.46 3.58 -0.02 0.00 0.85 -4.74 105.19 106.29 1ieh n GLY 16 Ca 0.00 -1.53 -0.02 0.00 0.00 0.00 0.00 46.02 44.47 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 -0.58 -0.04 1.61 1.04 -1.25 -4.11 113.70 109.38 1ieh s SER 17 Ca 0.00 0.88 0.02 0.00 0.48 0.00 0.00 55.95 57.32 1ieh s SER 17 Cb 0.00 1.38 0.01 0.00 0.10 0.00 0.00 66.02 67.51 1ieh s SER 17 CO 0.00 -0.13 -0.08 -0.22 0.98 0.00 0.00 173.24 173.78 1ieh s LEU 18 N 1.71 1.61 -0.41 2.42 0.20 -0.86 -4.96 118.68 118.39 1ieh s LEU 18 Ca -0.07 -0.19 -0.11 0.00 0.69 0.00 0.00 54.13 54.45 1ieh s LEU 18 Cb -0.05 -0.58 0.06 0.00 -0.43 0.00 0.00 46.19 45.20 1ieh s LEU 18 CO -0.16 0.02 0.26 -0.60 -0.29 0.00 0.00 176.35 175.58 1ieh s ARG 19 N 0.53 2.74 0.08 1.98 3.52 -1.26 -0.72 118.95 125.82 1ieh s ARG 19 Ca -0.09 -1.31 0.03 0.00 -0.13 0.00 0.00 55.73 54.23 1ieh s ARG 19 Cb -0.12 -3.82 -0.04 0.00 -1.56 0.00 0.00 34.95 29.41 1ieh s ARG 19 CO 0.01 -0.88 0.08 0.14 -0.81 0.00 0.00 175.30 173.84 1ieh s VAL 20 N 1.51 4.53 0.25 7.11 -7.23 -0.94 -4.79 120.40 120.82 1ieh s VAL 20 Ca 0.03 -0.75 0.04 0.00 -1.81 0.00 0.00 61.98 59.48 1ieh s VAL 20 Cb -0.22 -3.17 -0.05 0.00 0.56 0.00 0.00 36.38 33.49 1ieh s VAL 20 CO 0.04 0.14 -0.01 -0.94 -0.31 0.00 0.00 175.10 174.02 1ieh s SER 21 N -2.35 2.05 -0.20 4.85 1.04 -0.86 -2.24 113.70 115.98 1ieh s SER 21 Ca 0.29 -1.22 -0.04 0.00 0.48 0.00 0.00 55.95 55.45 1ieh s SER 21 Cb -0.12 -0.03 0.10 0.00 0.10 0.00 0.00 66.02 66.07 1ieh s SER 21 CO 0.21 -0.49 0.34 0.00 0.98 0.00 0.00 173.24 174.28 1ieh s ALA 23 N 2.50 2.91 -0.09 0.00 0.00 0.51 -0.44 121.76 127.15 1ieh s ALA 23 Ca 0.06 -1.57 -0.30 0.00 0.00 0.00 0.00 51.96 50.14 1ieh s ALA 23 Cb -0.14 -2.36 0.10 0.00 0.00 0.00 0.00 23.12 20.72 1ieh s ALA 23 CO -0.13 -2.11 0.83 0.00 0.00 0.00 0.00 175.76 174.35 1ieh s ALA 24 N -3.59 -1.84 -0.05 0.00 0.00 -1.15 -1.83 121.76 113.31 1ieh s ALA 24 Ca 0.72 1.40 0.02 0.00 0.00 0.00 0.00 51.96 54.10 1ieh s ALA 24 Cb -0.03 -0.27 0.01 0.00 0.00 0.00 0.00 23.12 22.83 1ieh s ALA 24 CO 0.50 -0.37 -0.10 -1.12 0.00 0.00 0.00 175.76 174.67 1ieh s SER 25 N -1.26 1.44 0.00 0.00 0.01 -1.16 -4.82 113.70 107.92 1ieh s SER 25 Ca -0.06 -0.23 0.00 0.00 1.31 0.00 0.00 55.95 56.97 1ieh s SER 25 Cb -0.00 -0.59 0.00 0.00 0.21 0.00 0.00 66.02 65.64 1ieh s SER 25 CO 0.05 0.03 0.00 0.61 0.41 0.00 0.00 173.24 174.34 1ieh n GLY 26 N 3.69 2.07 1.79 3.44 0.00 -1.26 -4.08 105.19 110.84 1ieh n GLY 26 Ca -0.22 -0.32 -0.07 0.00 0.00 0.00 0.00 46.02 45.40 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 -1.12 0.00 1.61 1.16 -1.26 -5.10 117.46 112.75 1ieh n PHE 27 Ca 0.00 -1.17 0.00 0.00 -1.87 0.00 0.00 57.45 54.41 1ieh n PHE 27 Cb 0.00 0.33 0.00 0.00 -1.61 0.00 0.00 39.48 38.20 1ieh n PHE 27 CO 0.00 0.00 0.00 2.41 -1.87 0.00 0.00 176.76 177.30 1ieh n THR 28 N -0.30 0.00 0.02 1.97 -1.04 -1.26 -4.87 114.28 108.80 1ieh n THR 28 Ca -0.01 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.00 1ieh n THR 28 Cb 0.31 -0.07 0.00 0.00 -1.82 0.00 0.00 70.33 68.74 1ieh n THR 28 CO 0.00 0.00 0.00 0.33 -0.64 0.00 0.00 175.07 174.76 1ieh n PHE 29 N 0.00 -1.53 0.12 -1.42 7.35 -1.26 -4.45 117.46 116.27 1ieh n PHE 29 Ca 0.00 0.10 -0.13 0.00 -0.76 0.00 0.00 57.45 56.67 1ieh n PHE 29 Cb 0.00 0.50 -0.06 0.00 0.35 0.00 0.00 39.48 40.27 1ieh n PHE 29 CO 0.00 0.00 0.00 0.77 -0.76 0.00 0.00 176.76 176.77 1ieh h SER 30 N 0.00 -0.42 -0.26 -2.13 0.02 -1.82 -1.98 113.55 106.96 1ieh h SER 30 Ca 0.00 0.04 0.08 0.00 -0.84 0.00 0.00 61.79 61.07 1ieh h SER 30 Cb 0.00 0.15 -0.01 0.00 0.14 0.00 0.00 62.40 62.68 1ieh h SER 30 CO 0.00 -0.23 0.54 -1.28 -1.14 0.00 0.00 176.83 174.72 1ieh h SER 31 N -0.33 0.00 -1.99 3.07 0.87 -1.97 -3.40 113.55 109.79 1ieh h SER 31 Ca 0.01 0.00 -0.51 0.00 -1.23 0.00 0.00 61.79 60.06 1ieh h SER 31 Cb 0.32 0.00 -0.05 0.00 -0.44 0.00 0.00 62.40 62.23 1ieh h SER 31 CO -0.05 0.00 -0.51 -0.31 -0.53 0.00 0.00 176.83 175.43 1ieh s TYR 32 N -4.31 2.91 -0.51 2.24 2.02 -0.75 -4.95 117.35 114.00 1ieh s TYR 32 Ca -0.03 -0.25 -0.18 0.00 -0.37 0.00 0.00 57.07 56.24 1ieh s TYR 32 Cb 0.11 -1.59 0.08 0.00 -0.40 0.00 0.00 41.96 40.16 1ieh s TYR 32 CO 0.36 0.36 0.55 -1.01 -1.57 0.00 0.00 175.55 174.24 1ieh s HIS 33 N -2.28 3.12 0.37 2.71 3.76 -1.26 -4.64 115.29 117.07 1ieh s HIS 33 Ca 0.37 -0.80 -0.01 0.00 -0.15 0.00 0.00 55.06 54.47 1ieh s HIS 33 Cb -0.06 -3.52 -0.03 0.00 1.11 0.00 0.00 32.58 30.08 1ieh s HIS 33 CO 0.25 -0.99 0.59 -1.64 -0.85 0.00 0.00 174.74 172.10 1ieh s MET 34 N 2.21 3.49 -0.05 1.40 -1.94 -1.24 0.22 119.30 123.40 1ieh s MET 34 Ca 0.10 -0.23 -0.14 0.00 -1.71 0.00 0.00 55.69 53.70 1ieh s MET 34 Cb -0.23 -2.61 0.03 0.00 2.01 0.00 0.00 34.83 34.03 1ieh s MET 34 CO 0.08 0.08 0.33 0.00 -0.01 0.00 0.00 175.02 175.50 1ieh s ALA 35 N -2.40 -0.82 -0.41 3.03 0.00 -0.73 -1.94 121.76 118.48 1ieh s ALA 35 Ca 0.41 0.54 -0.11 0.00 0.00 0.00 0.00 51.96 52.80 1ieh s ALA 35 Cb -0.10 -0.12 0.05 0.00 0.00 0.00 0.00 23.12 22.96 1ieh s ALA 35 CO 0.38 -0.23 0.27 -1.58 0.00 0.00 0.00 175.76 174.59 1ieh s TRP 36 N -0.88 3.28 0.34 0.00 0.52 0.10 -2.23 118.94 120.07 1ieh s TRP 36 Ca -0.10 -1.15 0.07 0.00 0.02 0.00 0.00 56.10 54.95 1ieh s TRP 36 Cb -0.04 -2.77 -0.02 0.00 -1.15 0.00 0.00 33.47 29.49 1ieh s TRP 36 CO 0.03 -0.75 0.37 0.14 0.02 0.00 0.00 176.95 176.77 1ieh s VAL 37 N 1.53 3.67 0.00 4.03 -7.23 0.12 -2.63 120.40 119.90 1ieh s VAL 37 Ca 0.03 -1.21 -0.10 0.00 -1.81 0.00 0.00 61.98 58.88 1ieh s VAL 37 Cb -0.22 -3.25 0.01 0.00 0.56 0.00 0.00 36.38 33.48 1ieh s VAL 37 CO 0.05 -0.15 0.20 0.00 -0.31 0.00 0.00 175.10 174.89 1ieh s ARG 38 N -4.08 0.58 -0.20 4.82 3.03 -0.24 -0.32 118.95 122.54 1ieh s ARG 38 Ca 0.43 -0.37 0.00 0.00 2.03 0.00 0.00 55.73 57.82 1ieh s ARG 38 Cb -0.07 0.25 0.05 0.00 -1.03 0.00 0.00 34.95 34.14 1ieh s ARG 38 CO 0.29 -0.15 -0.07 -1.14 -1.13 0.00 0.00 175.30 173.09 1ieh s GLN 39 N -1.56 1.72 0.27 3.89 0.74 0.12 -0.98 119.66 123.85 1ieh s GLN 39 Ca -0.13 -0.76 -0.07 0.00 0.05 0.00 0.00 55.36 54.45 1ieh s GLN 39 Cb -0.06 -2.32 -0.06 0.00 1.10 0.00 0.00 33.01 31.68 1ieh s GLN 39 CO 0.02 -0.47 0.56 0.00 -0.55 0.00 0.00 175.29 174.84 1ieh s ALA 40 N 1.48 3.59 -0.78 1.58 0.00 -1.26 -1.90 121.76 124.47 1ieh s ALA 40 Ca -0.02 -0.43 -0.26 0.00 0.00 0.00 0.00 51.96 51.26 1ieh s ALA 40 Cb -0.16 -2.37 -0.17 0.00 0.00 0.00 0.00 23.12 20.42 1ieh s ALA 40 CO -0.08 0.35 2.50 -2.30 0.00 0.00 0.00 175.76 176.23 1ieh n PRO 41 N -0.60 0.46 -0.85 0.00 -0.02 -1.26 -0.35 135.00 132.37 1ieh n PRO 41 Ca -0.01 -0.10 0.00 0.00 -2.02 0.00 0.00 63.50 61.37 1ieh n PRO 41 Cb 0.53 -2.44 0.00 0.00 -0.02 0.00 0.00 33.50 31.57 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 6.23 1.14 2.31 -1.23 0.00 -1.26 -5.11 105.19 107.28 1ieh n GLY 42 Ca 0.53 -0.28 -0.20 0.00 0.00 0.00 0.00 46.02 46.07 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 -0.49 1.21 -0.20 1.61 4.81 0.52 -5.06 118.16 120.55 1ieh n LYS 43 Ca 0.00 -2.34 0.08 0.00 -0.87 0.00 0.00 58.31 55.19 1ieh n LYS 43 Cb 0.18 0.61 0.17 0.00 0.02 0.00 0.00 35.03 36.01 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 1.15 4.32 1.53 3.14 0.00 -1.26 -4.86 105.19 109.20 1ieh n GLY 44 Ca -0.13 -0.97 0.00 0.00 0.00 0.00 0.00 46.02 44.92 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 -0.93 -5.19 -4.47 0.99 7.94 -1.26 -5.02 117.00 109.07 1ieh n LEU 45 Ca 0.16 2.45 -0.33 0.00 -1.11 0.00 0.00 56.01 57.18 1ieh n LEU 45 Cb 0.69 -2.35 -0.13 0.00 0.53 0.00 0.00 43.42 42.15 1ieh n LEU 45 CO 0.06 -0.90 -0.45 -0.70 -1.11 0.00 0.00 177.39 174.29 1ieh s GLU 46 N -1.92 2.57 0.50 1.96 2.56 -0.15 -4.91 118.70 119.30 1ieh s GLU 46 Ca 0.00 -0.70 0.25 0.00 0.00 0.00 0.00 54.97 54.52 1ieh s GLU 46 Cb 0.00 -2.40 1.31 0.00 2.00 0.00 0.00 34.13 35.05 1ieh s GLU 46 CO 0.00 0.59 2.03 0.11 -0.56 0.00 0.00 175.26 177.43 1ieh h TRP 47 N 5.45 0.00 0.00 5.30 0.09 -1.88 -0.62 115.95 124.29 1ieh h TRP 47 Ca -0.45 0.00 0.00 0.00 0.09 0.00 0.00 58.89 58.53 1ieh h TRP 47 Cb 1.16 0.00 0.00 0.00 0.08 0.00 0.00 29.16 30.40 1ieh h TRP 47 CO 0.50 0.15 0.00 0.28 0.09 0.00 0.00 178.44 179.46 1ieh n VAL 48 N -3.71 0.00 -4.51 0.12 0.31 -1.25 -3.37 118.33 105.92 1ieh n VAL 48 Ca -0.02 0.00 -0.24 0.00 -0.01 0.00 0.00 64.34 64.07 1ieh n VAL 48 Cb 0.27 0.00 -0.14 0.00 -0.91 0.00 0.00 33.84 33.06 1ieh n VAL 48 CO 0.00 0.00 0.00 -0.44 -1.32 0.00 0.00 176.83 175.07 1ieh s SER 49 N -3.19 2.40 -0.04 4.52 0.01 -1.08 -1.71 113.70 114.61 1ieh s SER 49 Ca 0.00 -0.56 -0.02 0.00 1.31 0.00 0.00 55.95 56.68 1ieh s SER 49 Cb 0.00 -0.18 0.02 0.00 0.21 0.00 0.00 66.02 66.08 1ieh s SER 49 CO 0.00 0.12 0.09 -0.89 0.41 0.00 0.00 173.24 172.97 1ieh s THR 50 N -0.90 -0.03 -0.01 1.44 2.01 -0.32 -0.72 115.64 117.10 1ieh s THR 50 Ca 0.06 0.12 0.06 0.00 0.31 0.00 0.00 61.69 62.24 1ieh s THR 50 Cb -0.09 -0.15 -0.03 0.00 0.01 0.00 0.00 72.50 72.24 1ieh s THR 50 CO 0.02 0.05 -0.19 -0.51 -0.69 0.00 0.00 174.62 173.30 1ieh s ILE 51 N 0.69 2.67 -0.13 1.82 2.07 -0.82 -1.78 121.20 125.73 1ieh s ILE 51 Ca -0.05 -0.98 0.00 0.00 -1.41 0.00 0.00 60.65 58.21 1ieh s ILE 51 Cb -0.07 -2.04 -0.01 0.00 0.13 0.00 0.00 42.46 40.46 1ieh s ILE 51 CO -0.03 0.51 -0.14 0.21 -1.91 0.00 0.00 174.94 173.58 1ieh s ASN 52 N -0.91 3.91 1.05 4.50 2.47 -1.25 -3.72 114.94 120.99 1ieh s ASN 52 Ca 0.12 -0.35 -0.16 0.00 0.42 0.00 0.00 52.86 52.88 1ieh s ASN 52 Cb -0.10 -1.58 0.22 0.00 -1.45 0.00 0.00 41.25 38.34 1ieh s ASN 52 CO 0.01 0.17 1.20 -2.16 -3.72 0.00 0.00 177.10 172.60 1ieh s PRO 53 N 0.33 0.00 0.00 0.43 0.04 -1.26 -3.40 135.00 131.14 1ieh s PRO 53 Ca -0.12 -0.12 0.00 0.00 0.04 0.00 0.00 61.00 60.81 1ieh s PRO 53 Cb -0.16 -1.74 0.00 0.00 0.04 0.00 0.00 34.50 32.64 1ieh s PRO 53 CO 0.06 -2.89 0.00 0.41 0.04 0.00 0.00 177.00 174.62 1ieh n GLY 54 N -2.30 1.99 0.00 0.56 0.00 -1.26 -4.38 105.19 99.80 1ieh n GLY 54 Ca 0.12 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.14 1ieh n GLY 54 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1ieh n ASP 55 N 3.67 0.00 0.00 1.61 8.00 -1.26 -5.03 116.55 123.55 1ieh n ASP 55 Ca 0.00 0.26 0.00 0.00 0.71 0.00 0.00 54.79 55.76 1ieh n ASP 55 Cb 0.00 -0.18 0.00 0.00 -0.02 0.00 0.00 41.12 40.92 1ieh n ASP 55 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1ieh n GLY 56 N 1.82 0.08 2.79 0.44 0.00 -1.22 -5.14 105.19 103.95 1ieh n GLY 56 Ca 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.75 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 -3.92 -3.78 1.61 7.64 -1.26 -4.87 113.62 109.03 1ieh n SER 57 Ca 0.00 -0.76 -0.10 0.00 1.01 0.00 0.00 58.87 59.02 1ieh n SER 57 Cb 0.00 -0.87 -0.07 0.00 -1.01 0.00 0.00 64.21 62.26 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 -1.96 0.11 -0.06 0.44 -4.23 -1.26 -3.82 115.64 104.85 1ieh s THR 58 Ca 0.58 -0.89 -0.01 0.00 -1.18 0.00 0.00 61.69 60.19 1ieh s THR 58 Cb -0.10 -1.15 0.03 0.00 1.34 0.00 0.00 72.50 72.62 1ieh s THR 58 CO 0.49 -0.49 0.00 -0.31 -0.54 0.00 0.00 174.62 173.77 1ieh s TYR 59 N -3.34 0.57 0.31 3.99 1.51 -0.73 -5.04 117.35 114.62 1ieh s TYR 59 Ca 0.01 -0.11 0.10 0.00 -1.01 0.00 0.00 57.07 56.06 1ieh s TYR 59 Cb 0.02 -0.71 -0.06 0.00 -0.11 0.00 0.00 41.96 41.10 1ieh s TYR 59 CO -0.08 -0.28 -0.14 0.71 -1.11 0.00 0.00 175.55 174.65 1ieh s TYR 60 N 1.80 2.28 -2.00 2.71 1.51 -1.26 -1.17 117.35 121.22 1ieh s TYR 60 Ca 0.02 -0.45 0.02 0.00 -1.01 0.00 0.00 57.07 55.64 1ieh s TYR 60 Cb -0.13 -1.17 0.09 0.00 -0.11 0.00 0.00 41.96 40.65 1ieh s TYR 60 CO -0.04 0.60 0.76 0.00 -1.11 0.00 0.00 175.55 175.76 1ieh n ALA 61 N -0.68 2.20 0.00 3.71 0.00 -0.69 -4.84 120.51 120.20 1ieh n ALA 61 Ca -0.05 -0.01 0.00 0.00 0.00 0.00 0.00 53.44 53.38 1ieh n ALA 61 Cb 0.62 -1.02 0.00 0.00 0.00 0.00 0.00 19.45 19.04 1ieh n ALA 61 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1ieh n ASP 62 N -0.53 0.00 -0.06 0.00 9.92 -1.26 -4.52 116.55 120.10 1ieh n ASP 62 Ca 0.01 0.00 0.04 0.00 -0.53 0.00 0.00 54.79 54.31 1ieh n ASP 62 Cb 0.01 0.00 0.23 0.00 -0.64 0.00 0.00 41.12 40.71 1ieh n ASP 62 CO 0.00 0.00 0.00 -0.24 0.13 0.00 0.00 177.20 177.09 1ieh n SER 63 N 1.86 0.18 0.00 -2.24 2.88 -1.26 -2.97 113.62 112.07 1ieh n SER 63 Ca 0.00 -1.78 0.00 0.00 -1.33 0.00 0.00 58.87 55.76 1ieh n SER 63 Cb 0.00 -0.02 0.00 0.00 -0.75 0.00 0.00 64.21 63.44 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 -0.51 0.00 -1.75 2.46 0.24 -1.26 -4.93 118.33 112.57 1ieh n VAL 64 Ca 0.06 -0.33 -0.42 0.00 -2.04 0.00 0.00 64.34 61.61 1ieh n VAL 64 Cb 0.05 1.05 -0.03 0.00 -1.47 0.00 0.00 33.84 33.44 1ieh n VAL 64 CO 0.00 0.00 0.00 -0.54 -2.14 0.00 0.00 176.83 174.15 1ieh s LYS 65 N -0.57 4.14 0.00 7.34 -0.14 -1.16 -0.87 119.74 128.49 1ieh s LYS 65 Ca 0.00 2.57 0.00 0.00 -1.36 0.00 0.00 55.97 57.18 1ieh s LYS 65 Cb 0.00 -3.27 0.00 0.00 -1.68 0.00 0.00 37.83 32.88 1ieh s LYS 65 CO 0.00 -0.77 0.00 0.41 -0.76 0.00 0.00 175.35 174.23 1ieh n GLY 66 N 4.04 3.04 0.05 -3.33 0.00 -1.26 -4.81 105.19 102.91 1ieh n GLY 66 Ca 0.16 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.18 1ieh n GLY 66 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 1ieh h ARG 67 N 1.23 -0.04 -6.42 1.61 9.65 -1.29 -3.46 114.38 115.65 1ieh h ARG 67 Ca 0.00 0.00 -0.63 0.00 -1.10 0.00 0.00 59.98 58.25 1ieh h ARG 67 Cb 0.00 0.01 -0.13 0.00 -1.39 0.00 0.00 29.97 28.46 1ieh h ARG 67 CO 0.00 -0.03 -0.69 -0.06 2.80 0.00 0.00 179.97 181.99 1ieh s PHE 68 N -1.54 2.80 -0.20 2.20 0.08 -0.89 -2.32 117.98 118.11 1ieh s PHE 68 Ca -0.01 -0.14 0.00 0.00 0.12 0.00 0.00 56.93 56.90 1ieh s PHE 68 Cb 0.00 -1.40 0.02 0.00 -0.57 0.00 0.00 43.02 41.07 1ieh s PHE 68 CO 0.02 0.48 -0.15 0.99 -0.10 0.00 0.00 175.22 176.46 1ieh s THR 69 N -1.51 2.35 -0.24 0.64 2.01 -0.74 -4.83 115.64 113.32 1ieh s THR 69 Ca 0.25 -0.97 -0.10 0.00 0.31 0.00 0.00 61.69 61.18 1ieh s THR 69 Cb -0.10 -2.07 -0.05 0.00 0.01 0.00 0.00 72.50 70.29 1ieh s THR 69 CO 0.16 0.42 0.15 -0.51 -0.69 0.00 0.00 174.62 174.15 1ieh s ILE 70 N 1.30 5.18 0.19 1.82 -1.16 -1.26 -0.41 121.20 126.86 1ieh s ILE 70 Ca 0.03 0.12 0.01 0.00 -0.51 0.00 0.00 60.65 60.30 1ieh s ILE 70 Cb -0.14 -3.42 -0.05 0.00 0.61 0.00 0.00 42.46 39.46 1ieh s ILE 70 CO -0.10 0.34 0.03 -0.55 -2.81 0.00 0.00 174.94 171.85 1ieh s SER 71 N 1.18 1.15 0.13 4.50 0.15 -0.12 -4.96 113.70 115.73 1ieh s SER 71 Ca 0.07 -1.22 -0.08 0.00 0.70 0.00 0.00 55.95 55.42 1ieh s SER 71 Cb -0.14 0.14 -0.01 0.00 -1.71 0.00 0.00 66.02 64.30 1ieh s SER 71 CO 0.05 -0.61 0.21 -0.60 1.20 0.00 0.00 173.24 173.49 1ieh s ARG 72 N -3.95 1.00 -0.12 5.44 3.52 -1.26 -1.85 118.95 121.72 1ieh s ARG 72 Ca 0.27 -1.13 -0.00 0.00 -0.13 0.00 0.00 55.73 54.74 1ieh s ARG 72 Cb 0.06 0.34 -0.02 0.00 -1.56 0.00 0.00 34.95 33.78 1ieh s ARG 72 CO 0.06 -0.34 -0.12 0.34 -0.81 0.00 0.00 175.30 174.43 1ieh s ASP 73 N -2.94 4.09 -0.20 -2.12 -1.08 -1.26 -5.00 116.67 108.16 1ieh s ASP 73 Ca 0.13 -0.29 0.01 0.00 -0.52 0.00 0.00 52.55 51.89 1ieh s ASP 73 Cb 0.04 -1.54 0.27 0.00 -1.46 0.00 0.00 42.92 40.23 1ieh s ASP 73 CO -0.04 0.19 1.49 0.59 0.52 0.00 0.00 175.17 177.92 1ieh n ASN 74 N 3.38 3.82 -0.32 -0.34 3.02 -1.26 -3.60 115.26 119.95 1ieh n ASN 74 Ca -0.18 -2.73 0.00 0.00 -0.03 0.00 0.00 54.58 51.64 1ieh n ASN 74 Cb 0.53 -0.71 0.00 0.00 -0.61 0.00 0.00 39.78 38.98 1ieh n ASN 74 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1ieh n ALA 75 N -0.08 1.65 -3.65 5.41 0.00 -1.26 -5.05 120.51 117.52 1ieh n ALA 75 Ca 0.25 -0.42 -0.03 0.00 0.00 0.00 0.00 53.44 53.25 1ieh n ALA 75 Cb 0.92 -0.16 -0.01 0.00 0.00 0.00 0.00 19.45 20.20 1ieh n ALA 75 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.50 175.91 1ieh s LYS 76 N 0.00 0.75 -1.12 0.00 -2.85 -1.24 -5.09 119.74 110.20 1ieh s LYS 76 Ca 0.00 -0.39 -0.08 0.00 -1.00 0.00 0.00 55.97 54.50 1ieh s LYS 76 Cb 0.00 0.28 0.28 0.00 -2.06 0.00 0.00 37.83 36.33 1ieh s LYS 76 CO 0.00 -0.34 1.18 0.27 0.10 0.00 0.00 175.35 176.56 1ieh n ASN 77 N -0.40 5.65 -3.72 0.03 0.23 -1.26 -4.59 115.26 111.20 1ieh n ASN 77 Ca -0.06 -3.09 -0.14 0.00 -0.53 0.00 0.00 54.58 50.76 1ieh n ASN 77 Cb 0.61 -1.37 -0.09 0.00 -2.08 0.00 0.00 39.78 36.85 1ieh n ASN 77 CO 0.00 0.00 0.00 -0.89 -0.93 0.00 0.00 177.26 175.44 1ieh s THR 78 N -1.45 0.01 0.01 5.53 2.01 -1.26 -2.92 115.64 117.58 1ieh s THR 78 Ca 0.31 -0.10 0.03 0.00 0.31 0.00 0.00 61.69 62.24 1ieh s THR 78 Cb -0.08 -0.65 -0.04 0.00 0.01 0.00 0.00 72.50 71.75 1ieh s THR 78 CO -0.05 -0.06 -0.04 -0.22 -0.69 0.00 0.00 174.62 173.56 1ieh s LEU 79 N -0.21 3.31 0.06 4.42 0.20 0.41 -4.04 118.68 122.83 1ieh s LEU 79 Ca -0.04 -0.10 0.04 0.00 0.69 0.00 0.00 54.13 54.72 1ieh s LEU 79 Cb -0.03 -1.91 -0.03 0.00 -0.43 0.00 0.00 46.19 43.79 1ieh s LEU 79 CO 0.02 0.27 -0.12 -0.31 -0.29 0.00 0.00 176.35 175.92 1ieh s TYR 80 N -1.05 1.04 -0.18 5.38 1.51 -0.77 -0.86 117.35 122.40 1ieh s TYR 80 Ca 0.19 -0.45 -0.14 0.00 -1.01 0.00 0.00 57.07 55.66 1ieh s TYR 80 Cb -0.11 -0.60 0.05 0.00 -0.11 0.00 0.00 41.96 41.19 1ieh s TYR 80 CO 0.09 0.01 0.47 -1.17 -1.11 0.00 0.00 175.55 173.84 1ieh s LEU 81 N -1.59 -0.03 -0.34 -1.29 2.96 -0.95 -0.94 118.68 116.50 1ieh s LEU 81 Ca -0.04 0.98 -0.11 0.00 -0.22 0.00 0.00 54.13 54.75 1ieh s LEU 81 Cb -0.10 1.59 0.00 0.00 0.50 0.00 0.00 46.19 48.19 1ieh s LEU 81 CO 0.02 -0.18 0.19 -1.58 -1.32 0.00 0.00 176.35 173.47 1ieh s GLN 82 N 0.84 3.20 -0.77 1.98 2.00 0.45 -2.23 119.66 125.13 1ieh s GLN 82 Ca -0.05 -0.82 -0.22 0.00 -2.00 0.00 0.00 55.36 52.27 1ieh s GLN 82 Cb -0.05 -3.66 0.08 0.00 0.80 0.00 0.00 33.01 30.18 1ieh s GLN 82 CO -0.07 -0.51 1.07 -1.64 -0.50 0.00 0.00 175.29 173.64 1ieh s MET 83 N 1.61 3.29 0.37 1.67 -1.94 0.10 -1.79 119.30 122.62 1ieh s MET 83 Ca 0.04 -1.08 0.09 0.00 -1.71 0.00 0.00 55.69 53.03 1ieh s MET 83 Cb -0.18 -4.52 -0.07 0.00 2.01 0.00 0.00 34.83 32.08 1ieh s MET 83 CO 0.07 -1.86 -0.04 1.21 -0.01 0.00 0.00 175.02 174.39 1ieh s ASN 84 N 3.79 3.86 -1.39 3.03 3.84 -0.98 -2.02 114.94 125.06 1ieh s ASN 84 Ca 0.28 -1.22 -0.07 0.00 0.21 0.00 0.00 52.86 52.06 1ieh s ASN 84 Cb -0.11 -0.39 0.03 0.00 -0.55 0.00 0.00 41.25 40.23 1ieh s ASN 84 CO 0.03 -0.30 0.95 -1.20 -2.79 0.00 0.00 177.10 173.79 1ieh n SER 85 N -0.88 -3.72 -4.75 -4.21 7.64 -1.26 -4.53 113.62 101.90 1ieh n SER 85 Ca -0.05 -0.72 -0.38 0.00 1.01 0.00 0.00 58.87 58.73 1ieh n SER 85 Cb 0.64 -4.33 0.04 0.00 -1.01 0.00 0.00 64.21 59.56 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 -7.00 3.83 -0.40 -3.43 2.01 -1.26 -4.82 118.68 107.61 1ieh s LEU 86 Ca 0.37 2.74 0.09 0.00 0.01 0.00 0.00 54.13 57.35 1ieh s LEU 86 Cb -0.18 -4.30 0.39 0.00 0.01 0.00 0.00 46.19 42.11 1ieh s LEU 86 CO 0.79 -1.59 1.30 2.29 1.01 0.00 0.00 176.35 180.15 1ieh n LYS 87 N -1.09 1.17 -0.75 1.70 -0.00 -1.26 -3.06 118.16 114.88 1ieh n LYS 87 Ca 0.11 -1.95 0.00 0.00 -0.00 0.00 0.00 58.31 56.47 1ieh n LYS 87 Cb 0.45 -0.25 0.00 0.00 -0.00 0.00 0.00 35.03 35.23 1ieh n LYS 87 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.40 177.83 1ieh n SER 88 N -0.45 -1.57 -0.03 -5.58 7.64 -1.26 -4.75 113.62 107.62 1ieh n SER 88 Ca -0.01 0.00 -0.17 0.00 1.01 0.00 0.00 58.87 59.70 1ieh n SER 88 Cb 0.83 -2.07 -0.14 0.00 -1.01 0.00 0.00 64.21 61.82 1ieh n SER 88 CO 0.00 0.00 0.00 1.21 -3.01 0.00 0.00 175.04 173.24 1ieh n GLU 89 N -1.42 0.71 0.27 1.43 4.07 -1.26 -4.03 120.64 120.39 1ieh n GLU 89 Ca 0.00 0.23 0.18 0.00 -0.06 0.00 0.00 57.16 57.50 1ieh n GLU 89 Cb 0.11 -1.68 0.80 0.00 -0.06 0.00 0.00 31.44 30.61 1ieh n GLU 89 CO 0.00 0.00 0.00 0.22 -0.06 0.00 0.00 177.13 177.29 1ieh h ASP 90 N 0.04 0.00 -1.04 4.31 3.58 -1.95 -3.41 116.42 117.94 1ieh h ASP 90 Ca -0.43 0.00 -0.26 0.00 0.42 0.00 0.00 57.03 56.76 1ieh h ASP 90 Cb 2.02 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 43.07 1ieh h ASP 90 CO 0.05 0.00 0.87 -0.89 -2.88 0.00 0.00 179.24 176.38 1ieh s THR 91 N -3.74 3.06 0.00 2.25 2.01 -1.26 -4.67 115.64 113.29 1ieh s THR 91 Ca -0.00 -0.01 0.00 0.00 0.31 0.00 0.00 61.69 61.99 1ieh s THR 91 Cb 0.10 -3.14 0.00 0.00 0.01 0.00 0.00 72.50 69.47 1ieh s THR 91 CO 0.47 -0.14 0.00 0.00 -0.69 0.00 0.00 174.62 174.26 1ieh n ALA 92 N 16.80 0.00 -3.13 7.40 0.00 -0.16 -4.71 120.51 136.71 1ieh n ALA 92 Ca 0.40 0.00 -0.35 0.00 0.00 0.00 0.00 53.44 53.50 1ieh n ALA 92 Cb 0.49 0.00 -0.13 0.00 0.00 0.00 0.00 19.45 19.81 1ieh n ALA 92 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1ieh s VAL 93 N -2.13 3.84 -0.07 0.00 1.01 -0.80 -1.04 120.40 121.21 1ieh s VAL 93 Ca 0.00 -0.35 -0.03 0.00 0.00 0.00 0.00 61.98 61.60 1ieh s VAL 93 Cb 0.00 -2.73 -0.04 0.00 0.00 0.00 0.00 36.38 33.62 1ieh s VAL 93 CO 0.00 0.44 0.05 -0.31 0.00 0.00 0.00 175.10 175.28 1ieh s TYR 94 N 0.95 3.29 0.19 5.22 1.51 -0.81 0.12 117.35 127.81 1ieh s TYR 94 Ca 0.01 0.27 0.02 0.00 -1.01 0.00 0.00 57.07 56.36 1ieh s TYR 94 Cb -0.14 -1.81 -0.05 0.00 -0.11 0.00 0.00 41.96 39.85 1ieh s TYR 94 CO 0.02 0.55 0.02 0.71 -1.11 0.00 0.00 175.55 175.74 1ieh s TYR 95 N -0.99 1.26 0.01 2.71 1.51 0.56 -2.27 117.35 120.14 1ieh s TYR 95 Ca 0.16 -1.06 0.05 0.00 -1.01 0.00 0.00 57.07 55.21 1ieh s TYR 95 Cb -0.12 -0.72 -0.02 0.00 -0.11 0.00 0.00 41.96 41.00 1ieh s TYR 95 CO 0.06 -0.25 -0.14 0.00 -1.11 0.00 0.00 175.55 174.11 1ieh s ALA 97 N -0.54 -0.64 0.22 0.00 0.00 -0.94 -3.63 121.76 116.22 1ieh s ALA 97 Ca 0.04 -0.45 -0.20 0.00 0.00 0.00 0.00 51.96 51.35 1ieh s ALA 97 Cb -0.06 0.86 -0.08 0.00 0.00 0.00 0.00 23.12 23.84 1ieh s ALA 97 CO 0.00 -0.77 0.73 0.21 0.00 0.00 0.00 175.76 175.94 1ieh s LYS 98 N -3.91 4.29 0.25 0.00 2.20 -1.26 -1.78 119.74 119.53 1ieh s LYS 98 Ca 0.12 0.91 -0.12 0.00 -0.36 0.00 0.00 55.97 56.52 1ieh s LYS 98 Cb 0.00 -2.92 -0.08 0.00 -1.51 0.00 0.00 37.83 33.33 1ieh s LYS 98 CO -0.01 0.41 0.61 -0.47 -0.36 0.00 0.00 175.35 175.53 1ieh s TYR 99 N -1.48 3.44 0.00 4.03 6.14 0.13 -4.39 117.35 125.21 1ieh s TYR 99 Ca 0.42 1.02 0.00 0.00 0.64 0.00 0.00 57.07 59.15 1ieh s TYR 99 Cb -0.17 -2.37 0.00 0.00 0.42 0.00 0.00 41.96 39.84 1ieh s TYR 99 CO 0.21 0.24 0.00 0.43 0.64 0.00 0.00 175.55 177.07 1ieh n SER 100 N -0.06 2.55 0.00 4.32 7.64 -1.26 -4.70 113.62 122.11 1ieh n SER 100 Ca 0.01 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.89 1ieh n SER 100 Cb 0.52 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.72 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 3.23 -0.87 0.00 0.23 0.00 -1.26 -5.02 105.19 101.50 1ieh n GLY 101 Ca 0.00 0.24 0.00 0.00 0.00 0.00 0.00 46.02 46.26 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 0.11 -0.23 3.15 -0.02 0.00 -1.26 -5.08 105.19 101.85 1ieh n GLY 102 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.91 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 -0.11 0.89 0.23 4.61 0.00 -1.26 -5.17 121.76 120.95 1ieh s ALA 103 Ca 0.00 -1.23 0.08 0.00 0.00 0.00 0.00 51.96 50.81 1ieh s ALA 103 Cb 0.00 0.14 -0.04 0.00 0.00 0.00 0.00 23.12 23.22 1ieh s ALA 103 CO 0.00 -0.19 0.05 -1.17 0.00 0.00 0.00 175.76 174.44 1ieh s LEU 104 N -2.75 3.39 0.00 0.00 2.96 -1.26 -4.07 118.68 116.96 1ieh s LEU 104 Ca 0.07 -0.46 0.22 0.00 -0.22 0.00 0.00 54.13 53.74 1ieh s LEU 104 Cb 0.02 -1.96 -0.13 0.00 0.50 0.00 0.00 46.19 44.62 1ieh s LEU 104 CO -0.04 0.02 0.91 -0.67 -1.32 0.00 0.00 176.35 175.25 1ieh n ASP 105 N -0.71 0.76 0.00 3.68 -0.08 -1.26 -4.99 116.55 113.94 1ieh n ASP 105 Ca -0.08 -0.68 0.00 0.00 -1.51 0.00 0.00 54.79 52.52 1ieh n ASP 105 Cb 0.57 1.03 0.00 0.00 2.34 0.00 0.00 41.12 45.07 1ieh n ASP 105 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1ieh n ALA 106 N -1.65 0.00 -0.23 -1.67 0.00 -1.26 -4.97 120.51 110.74 1ieh n ALA 106 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.47 1ieh n ALA 106 Cb 0.38 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.83 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 0.00 -0.04 -0.47 0.00 8.01 -1.26 -2.56 117.44 121.11 1ieh n TRP 107 Ca 0.00 0.00 0.06 0.00 -1.31 0.00 0.00 57.50 56.25 1ieh n TRP 107 Cb 0.00 0.03 -0.02 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 0.00 -2.22 0.14 6.99 0.00 -1.21 -4.37 105.19 104.52 1ieh n GLY 108 Ca 0.00 -1.37 -0.22 0.00 0.00 0.00 0.00 46.02 44.43 1ieh n GLY 108 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 1ieh h GLN 109 N -0.46 0.39 0.00 1.61 4.20 -1.74 -3.45 115.11 115.66 1ieh h GLN 109 Ca -0.03 -0.67 0.00 0.00 0.06 0.00 0.00 58.65 58.01 1ieh h GLN 109 Cb 0.45 0.25 0.00 0.00 0.30 0.00 0.00 27.48 28.48 1ieh h GLN 109 CO 0.02 1.30 0.00 0.41 -0.67 0.00 0.00 178.83 179.89 1ieh n GLY 110 N 1.81 1.31 3.70 3.46 0.00 -1.24 -4.97 105.19 109.26 1ieh n GLY 110 Ca -0.22 -0.70 -0.40 0.00 0.00 0.00 0.00 46.02 44.69 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 0.00 4.99 -0.49 2.61 -1.32 -0.96 -4.91 115.64 115.56 1ieh s THR 111 Ca 0.00 1.48 -0.25 0.00 -1.21 0.00 0.00 61.69 61.71 1ieh s THR 111 Cb 0.00 -4.06 0.03 0.00 -1.51 0.00 0.00 72.50 66.96 1ieh s THR 111 CO 0.00 0.17 0.95 -1.58 -2.21 0.00 0.00 174.62 171.95 1ieh s GLN 112 N 1.31 3.49 -0.12 7.08 2.00 -1.26 -1.93 119.66 130.24 1ieh s GLN 112 Ca 0.37 0.09 -0.01 0.00 -2.00 0.00 0.00 55.36 53.81 1ieh s GLN 112 Cb -0.17 -3.96 -0.02 0.00 0.80 0.00 0.00 33.01 29.66 1ieh s GLN 112 CO 0.16 -1.32 -0.09 0.08 -0.50 0.00 0.00 175.29 173.62 1ieh s VAL 113 N 3.90 3.46 0.04 1.34 1.01 -0.20 -3.57 120.40 126.38 1ieh s VAL 113 Ca 0.36 -0.53 -0.00 0.00 0.00 0.00 0.00 61.98 61.81 1ieh s VAL 113 Cb -0.10 -2.46 -0.03 0.00 0.00 0.00 0.00 36.38 33.79 1ieh s VAL 113 CO 0.25 0.54 -0.03 -0.89 0.00 0.00 0.00 175.10 174.96 1ieh s THR 114 N -0.01 0.20 -0.00 3.92 2.01 -0.96 -0.99 115.64 119.82 1ieh s THR 114 Ca -0.02 -1.36 0.06 0.00 0.31 0.00 0.00 61.69 60.68 1ieh s THR 114 Cb -0.14 -0.90 -0.02 0.00 0.01 0.00 0.00 72.50 71.46 1ieh s THR 114 CO 0.03 -0.73 -0.19 -0.69 -0.69 0.00 0.00 174.62 172.35 1ieh s VAL 115 N -2.64 1.51 -0.02 3.82 1.01 -1.26 -1.29 120.40 121.53 1ieh s VAL 115 Ca -0.04 -0.89 -0.29 0.00 0.00 0.00 0.00 61.98 60.76 1ieh s VAL 115 Cb -0.01 -1.27 0.07 0.00 0.00 0.00 0.00 36.38 35.16 1ieh s VAL 115 CO -0.05 0.37 0.65 -0.94 0.00 0.00 0.00 175.10 175.13 1ieh s SER 116 N -0.61 -0.62 -0.29 3.32 1.04 -0.07 -4.95 113.70 111.52 1ieh s SER 116 Ca 0.07 0.59 -0.00 0.00 0.48 0.00 0.00 55.95 57.09 1ieh s SER 116 Cb -0.08 0.54 0.05 0.00 0.10 0.00 0.00 66.02 66.63 1ieh s SER 116 CO -0.00 -0.65 -0.03 -0.55 0.98 0.00 0.00 173.24 172.99 1ieh s SER 117 N -1.41 4.77 -0.42 7.02 0.15 -1.26 -3.91 113.70 118.63 1ieh s SER 117 Ca -0.09 -1.31 0.08 0.00 0.70 0.00 0.00 55.95 55.33 1ieh s SER 117 Cb -0.00 -1.67 0.31 0.00 -1.71 0.00 0.00 66.02 62.95 1ieh s SER 117 CO 0.07 -0.24 0.86 0.00 1.20 0.00 0.00 173.24 175.13 1ieh n GLN 118 N 4.57 0.92 -1.93 5.44 10.64 -1.26 -4.96 117.38 130.79 1ieh n GLN 118 Ca -0.13 -2.58 -0.41 0.00 -1.83 0.00 0.00 57.00 52.05 1ieh n GLN 118 Cb 0.43 -1.36 -0.01 0.00 -0.86 0.00 0.00 30.24 28.45 1ieh n GLN 118 CO 0.00 0.00 0.00 0.45 -1.83 0.00 0.00 177.06 175.68 1ieh n SER 119 N 0.70 7.25 -1.71 2.61 2.88 -1.26 -4.56 113.62 119.53 1ieh n SER 119 Ca 0.15 -3.01 -0.20 0.00 -1.33 0.00 0.00 58.87 54.48 1ieh n SER 119 Cb 0.65 -1.44 -0.07 0.00 -0.75 0.00 0.00 64.21 62.60 1ieh n SER 119 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 1ieh n GLU 120 N 2.81 -1.49 -3.71 -1.46 1.02 -1.26 -4.94 120.64 111.61 1ieh n GLU 120 Ca 0.60 1.13 -0.17 0.00 -0.02 0.00 0.00 57.16 58.69 1ieh n GLU 120 Cb 0.28 -5.54 -0.17 0.00 -0.02 0.00 0.00 31.44 25.99 1ieh n GLU 120 CO 0.00 0.00 0.00 -1.14 1.18 0.00 0.00 177.13 177.17 1ieh s GLN 121 N -3.90 -0.03 0.87 3.49 0.74 -1.26 -5.16 119.66 114.40 1ieh s GLN 121 Ca 0.00 0.34 -0.12 0.00 0.05 0.00 0.00 55.36 55.63 1ieh s GLN 121 Cb 0.00 -0.36 0.15 0.00 1.10 0.00 0.00 33.01 33.90 1ieh s GLN 121 CO 0.00 -0.26 1.21 0.15 -0.55 0.00 0.00 175.29 175.84 1ieh s LYS 122 N 1.71 1.24 -0.62 1.67 3.01 -1.26 -4.67 119.74 120.82 1ieh s LYS 122 Ca -0.02 -0.39 0.06 0.00 -1.01 0.00 0.00 55.97 54.62 1ieh s LYS 122 Cb -0.12 -1.98 0.24 0.00 -1.01 0.00 0.00 37.83 34.96 1ieh s LYS 122 CO -0.04 -1.97 0.71 1.28 0.51 0.00 0.00 175.35 175.84 1ieh n LEU 123 N -3.44 3.35 -2.91 3.17 4.77 -1.26 -4.95 117.00 115.73 1ieh n LEU 123 Ca 0.13 -5.35 -0.06 0.00 -0.03 0.00 0.00 56.01 50.70 1ieh n LEU 123 Cb 0.60 -0.54 0.01 0.00 -2.33 0.00 0.00 43.42 41.15 1ieh n LEU 123 CO 0.48 2.04 -0.33 -0.38 -1.33 0.00 0.00 177.39 177.87 1ieh n ILE 124 N 0.99 -9.40 -0.08 -0.08 5.41 -1.26 -4.98 119.36 109.97 1ieh n ILE 124 Ca 0.28 1.21 -0.22 0.00 1.00 0.00 0.00 62.75 65.02 1ieh n ILE 124 Cb 0.42 -6.08 -0.12 0.00 -0.71 0.00 0.00 39.64 33.15 1ieh n ILE 124 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 176.55 176.31 1ieh n SER 125 N 0.44 2.02 -3.18 4.38 2.88 -1.26 -4.73 113.62 114.17 1ieh n SER 125 Ca 0.02 0.16 -0.20 0.00 -1.33 0.00 0.00 58.87 57.52 1ieh n SER 125 Cb 0.27 -0.74 -0.04 0.00 -0.75 0.00 0.00 64.21 62.96 1ieh n SER 125 CO 0.00 0.00 0.00 1.21 -1.23 0.00 0.00 175.04 175.02 1ieh n GLU 126 N -3.68 0.89 0.00 -1.46 2.13 -1.26 -4.89 120.64 112.36 1ieh n GLU 126 Ca -0.40 -3.29 0.00 0.00 0.66 0.00 0.00 57.16 54.14 1ieh n GLU 126 Cb 0.95 -1.54 0.00 0.00 0.27 0.00 0.00 31.44 31.12 1ieh n GLU 126 CO 0.00 0.00 0.00 0.39 -0.41 0.00 0.00 177.13 177.11 1ieh n GLU 127 N 0.65 0.00 -0.14 5.31 -0.58 -1.26 -4.78 120.64 119.83 1ieh n GLU 127 Ca 0.23 0.00 0.03 0.00 -0.42 0.00 0.00 57.16 57.00 1ieh n GLU 127 Cb 0.62 -0.41 0.09 0.00 -0.57 0.00 0.00 31.44 31.17 1ieh n GLU 127 CO 0.00 0.00 0.00 -0.25 -0.48 0.00 0.00 177.13 176.40 1ieh n ASP 128 N -2.34 1.44 0.00 1.62 8.00 -1.26 -4.78 116.55 119.22 1ieh n ASP 128 Ca 0.00 -2.09 0.00 0.00 0.71 0.00 0.00 54.79 53.41 1ieh n ASP 128 Cb 0.19 -0.28 0.00 0.00 -0.02 0.00 0.00 41.12 41.01 1ieh n ASP 128 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 1ieh n LEU 129 N 0.09 0.00 0.00 0.64 7.99 -1.26 -5.01 117.00 119.44 1ieh n LEU 129 Ca 0.07 0.00 0.00 0.00 -0.01 0.00 0.00 56.01 56.07 1ieh n LEU 129 Cb 0.28 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.59 1ieh n LEU 129 CO 0.06 0.00 0.00 0.59 -1.51 0.00 0.00 177.39 176.53 1ieh n ASN 130 N 0.00 0.00 -4.35 -1.43 3.02 -1.26 -4.65 115.26 106.59 1ieh n ASN 130 Ca 0.00 0.00 -0.20 0.00 -0.03 0.00 0.00 54.58 54.35 1ieh n ASN 130 Cb 0.00 0.00 -0.10 0.00 -0.61 0.00 0.00 39.78 39.07 1ieh n ASN 130 CO 0.00 0.00 0.00 -1.00 -2.62 0.00 0.00 177.26 173.64 1ieh s HIS 131 N 0.00 1.76 -0.37 3.10 3.76 -1.26 -5.04 115.29 117.24 1ieh s HIS 131 Ca 0.00 -1.09 0.25 0.00 -0.15 0.00 0.00 55.06 54.07 1ieh s HIS 131 Cb 0.00 -1.10 0.54 0.00 1.11 0.00 0.00 32.58 33.14 1ieh s HIS 131 CO 0.00 -0.18 1.68 0.45 -0.85 0.00 0.00 174.74 175.84 1ieh h HIS 132 N 2.21 0.00 -3.23 1.40 3.86 -2.00 -3.43 115.15 113.95 1ieh h HIS 132 Ca -0.39 0.00 -0.59 0.00 -1.16 0.00 0.00 60.37 58.23 1ieh h HIS 132 Cb 1.25 0.00 -0.08 0.00 1.06 0.00 0.00 27.41 29.64 1ieh h HIS 132 CO 0.61 0.00 0.61 -1.01 0.86 0.00 0.00 177.93 179.00 1ieh s HIS 133 N -3.28 3.29 0.04 2.45 4.02 -1.26 -4.92 115.29 115.64 1ieh s HIS 133 Ca 0.06 1.22 0.08 0.00 1.02 0.00 0.00 55.06 57.44 1ieh s HIS 133 Cb 0.06 -3.20 -0.22 0.00 -1.02 0.00 0.00 32.58 28.20 1ieh s HIS 133 CO 0.64 -0.48 0.99 1.25 1.02 0.00 0.00 174.74 178.17 1ieh h HIS 134 N 7.69 0.04 -0.01 1.40 2.76 -2.00 -3.52 115.15 121.51 1ieh h HIS 134 Ca -0.22 -0.03 0.00 0.00 -2.20 0.00 0.00 60.37 57.92 1ieh h HIS 134 Cb 1.08 -0.00 0.00 0.00 1.55 0.00 0.00 27.41 30.04 1ieh h HIS 134 CO 0.76 1.04 0.00 1.58 -1.30 0.00 0.00 177.93 180.01