#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 2.10 0.00 2.53 -7.23 -1.26 -5.12 120.40 111.42 1ieh s VAL 2 Ca 0.00 -1.76 0.04 0.00 -1.81 0.00 0.00 61.98 58.45 1ieh s VAL 2 Cb 0.00 -1.89 -0.01 0.00 0.56 0.00 0.00 36.38 35.04 1ieh s VAL 2 CO 0.00 -0.01 -0.11 -1.58 -0.31 0.00 0.00 175.10 173.08 1ieh s GLN 3 N -2.17 0.89 0.22 4.82 0.74 -1.26 -4.94 119.66 117.96 1ieh s GLN 3 Ca 0.13 -0.46 0.01 0.00 0.05 0.00 0.00 55.36 55.09 1ieh s GLN 3 Cb -0.09 -0.86 -0.00 0.00 1.10 0.00 0.00 33.01 33.16 1ieh s GLN 3 CO 0.06 0.23 0.03 1.28 -0.55 0.00 0.00 175.29 176.34 1ieh n LEU 4 N 2.63 0.00 -3.72 3.68 4.77 -1.15 -3.55 117.00 119.66 1ieh n LEU 4 Ca -0.15 -1.52 -0.13 0.00 -0.03 0.00 0.00 56.01 54.18 1ieh n LEU 4 Cb 0.56 0.30 -0.09 0.00 -2.33 0.00 0.00 43.42 41.86 1ieh n LEU 4 CO 0.24 -0.22 0.14 -1.58 -1.33 0.00 0.00 177.39 174.64 1ieh s GLN 5 N -2.83 0.55 0.28 3.23 0.74 -1.03 -3.55 119.66 117.06 1ieh s GLN 5 Ca 0.04 0.59 0.07 0.00 0.05 0.00 0.00 55.36 56.10 1ieh s GLN 5 Cb 0.00 0.27 -0.06 0.00 1.10 0.00 0.00 33.01 34.32 1ieh s GLN 5 CO 0.03 -0.08 -0.06 0.00 -0.55 0.00 0.00 175.29 174.63 1ieh s ALA 6 N 0.13 2.37 -0.05 1.58 0.00 -1.11 0.14 121.76 124.82 1ieh s ALA 6 Ca -0.01 -1.91 -0.32 0.00 0.00 0.00 0.00 51.96 49.73 1ieh s ALA 6 Cb -0.03 0.17 0.13 0.00 0.00 0.00 0.00 23.12 23.39 1ieh s ALA 6 CO 0.01 -0.06 1.33 0.45 0.00 0.00 0.00 175.76 177.49 1ieh s SER 7 N -3.45 -0.05 0.00 0.00 0.15 -0.60 -4.44 113.70 105.31 1ieh s SER 7 Ca 0.30 -0.09 0.00 0.00 0.70 0.00 0.00 55.95 56.85 1ieh s SER 7 Cb 0.03 0.12 0.00 0.00 -1.71 0.00 0.00 66.02 64.46 1ieh s SER 7 CO 0.12 -0.21 0.00 0.61 1.20 0.00 0.00 173.24 174.96 1ieh n GLY 8 N -0.46 1.62 3.77 9.45 0.00 -1.26 -2.23 105.19 116.08 1ieh n GLY 8 Ca -0.08 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.55 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 -2.00 2.88 0.31 -0.02 0.00 -1.26 -4.57 107.32 102.66 1ieh s GLY 9 Ca 0.00 1.15 -0.04 0.00 0.00 0.00 0.00 44.72 45.83 1ieh s GLY 9 CO 0.00 1.69 0.43 -0.32 0.00 0.00 0.00 173.10 174.90 1ieh s GLY 10 N -0.96 1.34 -0.38 0.20 0.00 -1.22 -4.88 107.32 101.43 1ieh s GLY 10 Ca 0.61 -1.44 -0.07 0.00 0.00 0.00 0.00 44.72 43.82 1ieh s GLY 10 CO 0.44 -0.99 0.18 1.08 0.00 0.00 0.00 173.10 173.82 1ieh s LEU 11 N -3.19 4.78 0.00 0.66 1.02 -1.26 -1.75 118.68 118.94 1ieh s LEU 11 Ca 0.30 -1.41 0.04 0.00 0.02 0.00 0.00 54.13 53.08 1ieh s LEU 11 Cb 0.00 -1.91 0.04 0.00 0.02 0.00 0.00 46.19 44.34 1ieh s LEU 11 CO 0.18 -0.44 0.31 1.33 0.02 0.00 0.00 176.35 177.75 1ieh n VAL 12 N 4.82 0.00 -4.30 -1.59 0.24 -0.93 -4.82 118.33 111.76 1ieh n VAL 12 Ca -0.10 -2.06 -0.25 0.00 -2.04 0.00 0.00 64.34 59.89 1ieh n VAL 12 Cb 0.43 0.03 -0.08 0.00 -1.47 0.00 0.00 33.84 32.75 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 -4.02 2.18 -0.94 7.34 1.11 -1.21 0.49 119.66 124.61 1ieh s GLN 13 Ca 0.24 -1.36 -0.25 0.00 0.01 0.00 0.00 55.36 54.00 1ieh s GLN 13 Cb -0.02 -2.15 -0.20 0.00 -1.01 0.00 0.00 33.01 29.63 1ieh s GLN 13 CO 0.15 0.39 2.13 -2.30 0.01 0.00 0.00 175.29 175.67 1ieh n PRO 14 N -0.48 0.21 0.00 2.91 -0.02 -1.26 -0.73 135.00 135.62 1ieh n PRO 14 Ca -0.08 -1.33 0.00 0.00 -2.02 0.00 0.00 63.50 60.07 1ieh n PRO 14 Cb 0.57 -3.62 0.00 0.00 -0.02 0.00 0.00 33.50 30.43 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 6.20 0.70 0.00 -1.23 0.00 -1.26 -4.92 105.19 104.69 1ieh n GLY 15 Ca 0.41 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.43 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 -0.96 3.65 -0.02 0.00 0.09 -4.69 105.19 103.26 1ieh n GLY 16 Ca 0.00 -0.82 -0.03 0.00 0.00 0.00 0.00 46.02 45.17 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 -1.42 -0.22 0.06 1.61 1.04 -1.26 -4.17 113.70 109.34 1ieh s SER 17 Ca 0.00 0.39 0.09 0.00 0.48 0.00 0.00 55.95 56.91 1ieh s SER 17 Cb 0.00 0.64 -0.03 0.00 0.10 0.00 0.00 66.02 66.73 1ieh s SER 17 CO 0.00 -0.06 -0.26 -0.22 0.98 0.00 0.00 173.24 173.68 1ieh s LEU 18 N 0.48 2.19 -0.27 2.42 0.20 -0.92 -4.98 118.68 117.80 1ieh s LEU 18 Ca 0.01 -0.61 0.02 0.00 0.69 0.00 0.00 54.13 54.24 1ieh s LEU 18 Cb -0.04 -1.23 0.07 0.00 -0.43 0.00 0.00 46.19 44.56 1ieh s LEU 18 CO -0.12 0.23 -0.05 -0.60 -0.29 0.00 0.00 176.35 175.52 1ieh s ARG 19 N -1.36 1.78 0.39 1.98 3.52 -1.26 -0.08 118.95 123.92 1ieh s ARG 19 Ca 0.11 -1.30 0.08 0.00 -0.13 0.00 0.00 55.73 54.49 1ieh s ARG 19 Cb -0.10 -2.79 -0.01 0.00 -1.56 0.00 0.00 34.95 30.50 1ieh s ARG 19 CO 0.03 -0.67 0.43 0.54 -0.81 0.00 0.00 175.30 174.82 1ieh s VAL 20 N 1.20 3.11 0.15 7.11 0.11 -0.81 -4.90 120.40 126.38 1ieh s VAL 20 Ca -0.03 -1.20 -0.06 0.00 -2.93 0.00 0.00 61.98 57.76 1ieh s VAL 20 Cb -0.19 -3.09 -0.02 0.00 -1.53 0.00 0.00 36.38 31.55 1ieh s VAL 20 CO -0.07 -0.05 0.21 -0.94 -3.33 0.00 0.00 175.10 170.91 1ieh s SER 21 N -4.18 0.13 -0.17 3.54 1.04 -0.94 -2.21 113.70 110.91 1ieh s SER 21 Ca 0.49 -0.99 -0.04 0.00 0.48 0.00 0.00 55.95 55.88 1ieh s SER 21 Cb -0.07 0.39 0.08 0.00 0.10 0.00 0.00 66.02 66.52 1ieh s SER 21 CO 0.30 -0.84 0.21 0.00 0.98 0.00 0.00 173.24 173.89 1ieh s ALA 23 N 2.32 3.34 0.67 0.00 0.00 0.12 -1.26 121.76 126.94 1ieh s ALA 23 Ca 0.05 -1.70 -0.05 0.00 0.00 0.00 0.00 51.96 50.27 1ieh s ALA 23 Cb -0.15 -3.46 0.05 0.00 0.00 0.00 0.00 23.12 19.57 1ieh s ALA 23 CO -0.10 -2.14 0.95 0.00 0.00 0.00 0.00 175.76 174.47 1ieh s ALA 24 N 2.93 3.35 -0.17 0.00 0.00 -1.18 -2.46 121.76 124.23 1ieh s ALA 24 Ca 0.18 -1.04 -0.08 0.00 0.00 0.00 0.00 51.96 51.02 1ieh s ALA 24 Cb -0.18 -2.46 0.07 0.00 0.00 0.00 0.00 23.12 20.55 1ieh s ALA 24 CO 0.13 -1.16 0.39 0.45 0.00 0.00 0.00 175.76 175.56 1ieh s SER 25 N -4.50 -0.32 0.00 0.00 0.15 -1.23 -4.90 113.70 102.90 1ieh s SER 25 Ca 0.59 0.88 0.00 0.00 0.70 0.00 0.00 55.95 58.12 1ieh s SER 25 Cb -0.11 0.95 0.00 0.00 -1.71 0.00 0.00 66.02 65.16 1ieh s SER 25 CO 0.43 -0.21 0.00 0.61 1.20 0.00 0.00 173.24 175.27 1ieh n GLY 26 N 4.78 2.45 3.89 9.45 0.00 -1.26 -4.12 105.19 120.38 1ieh n GLY 26 Ca -0.16 -0.47 -0.27 0.00 0.00 0.00 0.00 46.02 45.12 1ieh n GLY 26 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1ieh s PHE 27 N 0.00 1.66 0.00 1.61 -0.12 -1.26 -5.14 117.98 114.73 1ieh s PHE 27 Ca 0.00 -0.84 0.00 0.00 -0.05 0.00 0.00 56.93 56.04 1ieh s PHE 27 Cb 0.00 -1.90 0.00 0.00 -0.63 0.00 0.00 43.02 40.49 1ieh s PHE 27 CO 0.00 -0.42 0.00 2.41 -0.05 0.00 0.00 175.22 177.16 1ieh n THR 28 N -1.72 0.00 0.13 -4.49 -1.04 -1.26 -4.95 114.28 100.94 1ieh n THR 28 Ca -0.03 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.98 1ieh n THR 28 Cb 0.64 -0.02 0.00 0.00 -1.82 0.00 0.00 70.33 69.14 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 -3.72 0.31 -1.42 7.35 -1.26 -4.71 117.46 114.02 1ieh n PHE 29 Ca 0.00 0.88 0.16 0.00 -0.76 0.00 0.00 57.45 57.73 1ieh n PHE 29 Cb 0.00 2.42 0.67 0.00 0.35 0.00 0.00 39.48 42.93 1ieh n PHE 29 CO 0.00 0.00 0.00 1.03 -0.76 0.00 0.00 176.76 177.03 1ieh h SER 30 N 0.00 0.00 1.09 -2.13 0.87 -1.88 -2.30 113.55 109.20 1ieh h SER 30 Ca 0.00 0.00 -0.18 0.00 -1.23 0.00 0.00 61.79 60.38 1ieh h SER 30 Cb 0.00 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 61.93 1ieh h SER 30 CO 0.00 0.00 -0.95 -1.28 -0.53 0.00 0.00 176.83 174.07 1ieh h SER 31 N 0.00 0.00 -3.16 6.23 0.87 -1.94 -3.22 113.55 112.33 1ieh h SER 31 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 1ieh h SER 31 Cb 0.41 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.37 1ieh h SER 31 CO 0.00 0.77 0.00 -1.22 -0.53 0.00 0.00 176.83 175.85 1ieh n TYR 32 N -3.22 -0.98 -4.14 2.24 4.02 -0.86 -4.99 117.16 109.22 1ieh n TYR 32 Ca -0.02 0.00 -0.29 0.00 -0.01 0.00 0.00 57.90 57.58 1ieh n TYR 32 Cb 0.87 0.00 -0.08 0.00 -0.02 0.00 0.00 39.34 40.11 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 -0.11 2.96 0.12 -0.72 3.76 -1.26 -4.23 115.29 115.81 1ieh s HIS 33 Ca 0.00 -0.06 -0.05 0.00 -0.15 0.00 0.00 55.06 54.80 1ieh s HIS 33 Cb 0.00 -1.49 -0.02 0.00 1.11 0.00 0.00 32.58 32.17 1ieh s HIS 33 CO 0.00 0.49 0.15 -1.64 -0.85 0.00 0.00 174.74 172.89 1ieh s MET 34 N -2.52 0.95 0.00 1.40 -1.94 -1.25 -2.10 119.30 113.84 1ieh s MET 34 Ca 0.26 -1.23 -0.28 0.00 -1.71 0.00 0.00 55.69 52.73 1ieh s MET 34 Cb -0.11 0.30 0.09 0.00 2.01 0.00 0.00 34.83 37.12 1ieh s MET 34 CO 0.19 -0.30 0.75 0.00 -0.01 0.00 0.00 175.02 175.65 1ieh s ALA 35 N -3.97 -1.76 -0.27 3.03 0.00 -0.19 -2.24 121.76 116.37 1ieh s ALA 35 Ca 0.16 1.06 -0.04 0.00 0.00 0.00 0.00 51.96 53.14 1ieh s ALA 35 Cb 0.06 0.23 0.02 0.00 0.00 0.00 0.00 23.12 23.42 1ieh s ALA 35 CO -0.03 -0.54 0.01 -1.58 0.00 0.00 0.00 175.76 173.62 1ieh s TRP 36 N -2.32 3.11 0.31 0.00 0.52 -0.23 -2.25 118.94 118.07 1ieh s TRP 36 Ca -0.03 -1.25 0.07 0.00 0.02 0.00 0.00 56.10 54.91 1ieh s TRP 36 Cb -0.01 -2.16 -0.02 0.00 -1.15 0.00 0.00 33.47 30.14 1ieh s TRP 36 CO -0.02 -0.65 0.37 0.14 0.02 0.00 0.00 176.95 176.81 1ieh s VAL 37 N 1.42 4.22 0.02 4.03 -7.23 0.15 -2.49 120.40 120.52 1ieh s VAL 37 Ca 0.01 -1.14 0.01 0.00 -1.81 0.00 0.00 61.98 59.05 1ieh s VAL 37 Cb -0.17 -3.44 -0.02 0.00 0.56 0.00 0.00 36.38 33.31 1ieh s VAL 37 CO -0.01 -0.22 -0.04 -0.60 -0.31 0.00 0.00 175.10 173.92 1ieh s ARG 38 N -4.05 0.34 -0.23 4.82 3.52 0.38 -0.91 118.95 122.82 1ieh s ARG 38 Ca 0.40 -0.55 -0.04 0.00 -0.13 0.00 0.00 55.73 55.42 1ieh s ARG 38 Cb -0.08 -0.05 0.08 0.00 -1.56 0.00 0.00 34.95 33.34 1ieh s ARG 38 CO 0.29 -0.01 0.10 -1.14 -0.81 0.00 0.00 175.30 173.73 1ieh s GLN 39 N -1.22 0.28 0.54 5.12 0.74 0.97 0.16 119.66 126.25 1ieh s GLN 39 Ca -0.11 -0.41 -0.17 0.00 0.05 0.00 0.00 55.36 54.72 1ieh s GLN 39 Cb -0.08 -1.65 -0.06 0.00 1.10 0.00 0.00 33.01 32.32 1ieh s GLN 39 CO -0.00 -0.83 1.03 0.00 -0.55 0.00 0.00 175.29 174.94 1ieh s ALA 40 N 2.02 2.87 -0.80 1.58 0.00 -1.26 -2.18 121.76 124.00 1ieh s ALA 40 Ca 0.05 0.38 -0.23 0.00 0.00 0.00 0.00 51.96 52.16 1ieh s ALA 40 Cb -0.16 -3.20 -0.18 0.00 0.00 0.00 0.00 23.12 19.58 1ieh s ALA 40 CO -0.21 -0.51 2.38 -0.35 0.00 0.00 0.00 175.76 177.07 1ieh n PRO 41 N -1.63 0.48 -0.81 0.00 -0.04 -1.26 -2.74 135.00 129.01 1ieh n PRO 41 Ca 0.08 -0.46 0.00 0.00 -0.04 0.00 0.00 63.50 63.08 1ieh n PRO 41 Cb 0.53 -2.92 0.00 0.00 -0.04 0.00 0.00 33.50 31.07 1ieh n PRO 41 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1ieh n GLY 42 N 6.37 0.32 0.00 0.55 0.00 -1.26 -5.09 105.19 106.07 1ieh n GLY 42 Ca 0.51 -0.46 0.00 0.00 0.00 0.00 0.00 46.02 46.07 1ieh n GLY 42 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1ieh n LYS 43 N -0.58 0.00 0.00 1.61 4.76 -1.11 -5.09 118.16 117.75 1ieh n LYS 43 Ca 0.00 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.44 1ieh n LYS 43 Cb 0.27 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.46 1ieh n LYS 43 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1ieh n GLY 44 N 0.00 0.00 1.18 0.72 0.00 -1.26 -5.07 105.19 100.75 1ieh n GLY 44 Ca 0.00 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.16 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 0.00 -0.81 -3.64 0.99 0.00 -1.26 -5.03 117.00 107.25 1ieh n LEU 45 Ca 0.00 1.89 -0.05 0.00 0.00 0.00 0.00 56.01 57.85 1ieh n LEU 45 Cb 0.00 -2.86 -0.06 0.00 0.00 0.00 0.00 43.42 40.50 1ieh n LEU 45 CO 0.00 -1.94 0.32 -0.70 0.00 0.00 0.00 177.39 175.07 1ieh s GLU 46 N -3.77 0.65 0.61 1.96 2.12 0.12 -4.93 118.70 115.46 1ieh s GLU 46 Ca 0.00 1.30 0.28 0.00 0.36 0.00 0.00 54.97 56.91 1ieh s GLU 46 Cb 0.00 0.42 1.48 0.00 0.26 0.00 0.00 34.13 36.29 1ieh s GLU 46 CO 0.00 -0.17 1.87 2.35 -0.54 0.00 0.00 175.26 178.78 1ieh h TRP 47 N 7.36 0.00 0.00 5.30 7.01 -1.86 0.11 115.95 133.87 1ieh h TRP 47 Ca -0.25 0.00 0.00 0.00 2.11 0.00 0.00 58.89 60.75 1ieh h TRP 47 Cb 1.18 0.00 0.00 0.00 -2.10 0.00 0.00 29.16 28.24 1ieh h TRP 47 CO 0.09 0.00 0.00 0.28 -2.79 0.00 0.00 178.44 176.02 1ieh n VAL 48 N -3.43 0.00 -4.12 2.65 0.31 -1.25 -3.50 118.33 108.99 1ieh n VAL 48 Ca 0.05 0.00 -0.15 0.00 -0.01 0.00 0.00 64.34 64.23 1ieh n VAL 48 Cb 0.60 0.00 -0.12 0.00 -0.91 0.00 0.00 33.84 33.41 1ieh n VAL 48 CO 0.00 0.00 0.00 -0.94 -1.32 0.00 0.00 176.83 174.57 1ieh s SER 49 N -2.72 1.13 0.02 4.52 1.04 -1.04 -0.63 113.70 116.02 1ieh s SER 49 Ca 0.00 -0.53 0.02 0.00 0.48 0.00 0.00 55.95 55.92 1ieh s SER 49 Cb 0.00 -0.00 -0.02 0.00 0.10 0.00 0.00 66.02 66.10 1ieh s SER 49 CO 0.00 -0.13 -0.08 -0.89 0.98 0.00 0.00 173.24 173.12 1ieh s THR 50 N -1.23 0.58 0.04 2.02 2.01 0.17 -1.07 115.64 118.17 1ieh s THR 50 Ca -0.06 -0.71 0.07 0.00 0.31 0.00 0.00 61.69 61.30 1ieh s THR 50 Cb -0.09 -0.57 -0.02 0.00 0.01 0.00 0.00 72.50 71.82 1ieh s THR 50 CO 0.01 -0.11 -0.22 -0.51 -0.69 0.00 0.00 174.62 173.10 1ieh s ILE 51 N -0.77 1.73 0.25 1.82 2.07 -0.95 -2.03 121.20 123.32 1ieh s ILE 51 Ca -0.03 -1.20 -0.20 0.00 -1.41 0.00 0.00 60.65 57.80 1ieh s ILE 51 Cb -0.06 -1.50 -0.09 0.00 0.13 0.00 0.00 42.46 40.94 1ieh s ILE 51 CO 0.00 0.25 0.77 0.21 -1.91 0.00 0.00 174.94 174.26 1ieh s ASN 52 N -1.13 7.08 -0.13 4.50 2.47 -0.97 -3.94 114.94 122.83 1ieh s ASN 52 Ca 0.08 1.48 -0.37 0.00 0.42 0.00 0.00 52.86 54.48 1ieh s ASN 52 Cb -0.09 -2.45 -0.14 0.00 -1.45 0.00 0.00 41.25 37.13 1ieh s ASN 52 CO 0.02 -0.01 1.76 -0.81 -3.72 0.00 0.00 177.10 174.34 1ieh n PRO 53 N 0.60 1.67 -0.29 0.43 -0.04 -1.26 -1.68 135.00 134.44 1ieh n PRO 53 Ca -0.01 0.61 0.00 0.00 -0.04 0.00 0.00 63.50 64.06 1ieh n PRO 53 Cb 0.51 -2.37 0.00 0.00 -0.04 0.00 0.00 33.50 31.60 1ieh n PRO 53 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1ieh n GLY 54 N 4.08 0.85 3.41 0.55 0.00 -1.22 -4.47 105.19 108.39 1ieh n GLY 54 Ca 0.23 -0.31 -0.18 0.00 0.00 0.00 0.00 46.02 45.77 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 0.56 -6.32 0.00 1.61 2.03 -0.67 -5.01 116.55 108.75 1ieh n ASP 55 Ca 0.00 -0.66 0.00 0.00 0.52 0.00 0.00 54.79 54.65 1ieh n ASP 55 Cb 0.00 -4.15 0.00 0.00 -0.72 0.00 0.00 41.12 36.25 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 -1.60 0.55 3.85 0.27 0.00 -1.16 -5.01 105.19 102.10 1ieh n GLY 56 Ca -0.09 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.61 1ieh n GLY 56 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1ieh s SER 57 N -0.40 6.48 0.02 1.61 0.01 -1.26 -4.84 113.70 115.33 1ieh s SER 57 Ca 0.00 1.52 0.07 0.00 1.31 0.00 0.00 55.95 58.85 1ieh s SER 57 Cb 0.00 -2.50 -0.02 0.00 0.21 0.00 0.00 66.02 63.71 1ieh s SER 57 CO 0.00 -0.69 -0.20 0.42 0.41 0.00 0.00 173.24 173.18 1ieh s THR 58 N -2.81 1.56 -0.06 1.44 -4.23 -1.26 -2.28 115.64 108.00 1ieh s THR 58 Ca 0.58 -1.05 0.01 0.00 -1.18 0.00 0.00 61.69 60.05 1ieh s THR 58 Cb -0.10 -1.34 0.02 0.00 1.34 0.00 0.00 72.50 72.41 1ieh s THR 58 CO 0.39 0.27 -0.07 -0.31 -0.54 0.00 0.00 174.62 174.36 1ieh s TYR 59 N -0.68 1.03 0.36 3.99 2.02 -0.86 -5.02 117.35 118.20 1ieh s TYR 59 Ca 0.07 -0.36 0.09 0.00 -0.37 0.00 0.00 57.07 56.50 1ieh s TYR 59 Cb -0.08 -0.85 -0.06 0.00 -0.40 0.00 0.00 41.96 40.56 1ieh s TYR 59 CO 0.01 -0.26 -0.04 0.71 -1.57 0.00 0.00 175.55 174.40 1ieh s TYR 60 N 0.98 2.46 -1.60 2.71 1.51 -1.26 -0.66 117.35 121.50 1ieh s TYR 60 Ca -0.10 -0.52 0.00 0.00 -1.01 0.00 0.00 57.07 55.45 1ieh s TYR 60 Cb -0.14 -1.49 0.00 0.00 -0.11 0.00 0.00 41.96 40.21 1ieh s TYR 60 CO 0.00 0.52 0.75 0.00 -1.11 0.00 0.00 175.55 175.72 1ieh n ALA 61 N -0.87 2.43 0.00 3.71 0.00 0.19 -4.83 120.51 121.13 1ieh n ALA 61 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.39 1ieh n ALA 61 Cb 0.64 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 19.09 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 -0.29 0.00 0.00 0.00 8.00 -1.26 -4.56 116.55 118.44 1ieh n ASP 62 Ca 0.00 0.00 0.12 0.00 0.71 0.00 0.00 54.79 55.62 1ieh n ASP 62 Cb 0.09 -0.04 0.25 0.00 -0.02 0.00 0.00 41.12 41.41 1ieh n ASP 62 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 1ieh n SER 63 N 0.52 0.49 -0.05 -2.24 7.64 -1.26 -3.90 113.62 114.82 1ieh n SER 63 Ca 0.00 -0.22 0.02 0.00 1.01 0.00 0.00 58.87 59.69 1ieh n SER 63 Cb 0.00 0.23 0.03 0.00 -1.01 0.00 0.00 64.21 63.47 1ieh n SER 63 CO 0.00 0.00 0.00 1.33 -3.01 0.00 0.00 175.04 173.36 1ieh n VAL 64 N -1.53 0.98 -2.89 0.44 0.24 -1.26 -4.96 118.33 109.35 1ieh n VAL 64 Ca 0.05 -1.07 -0.42 0.00 -2.04 0.00 0.00 64.34 60.87 1ieh n VAL 64 Cb 0.34 0.41 -0.04 0.00 -1.47 0.00 0.00 33.84 33.08 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 -1.21 4.24 0.00 7.34 2.47 -1.25 -2.39 119.74 128.95 1ieh s LYS 65 Ca 0.07 0.99 0.00 0.00 -1.56 0.00 0.00 55.97 55.48 1ieh s LYS 65 Cb 0.06 -3.61 0.00 0.00 -1.46 0.00 0.00 37.83 32.83 1ieh s LYS 65 CO 0.01 -0.42 0.00 0.41 0.16 0.00 0.00 175.35 175.51 1ieh n GLY 66 N 3.59 0.73 0.47 5.54 0.00 -1.26 -4.86 105.19 109.40 1ieh n GLY 66 Ca 0.05 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.90 1ieh n GLY 66 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1ieh n ARG 67 N -2.00 0.35 -4.05 1.61 0.00 -1.21 -4.89 116.66 106.47 1ieh n ARG 67 Ca 0.00 0.15 -0.28 0.00 -0.00 0.00 0.00 57.85 57.71 1ieh n ARG 67 Cb 0.00 -1.10 -0.06 0.00 -0.00 0.00 0.00 32.46 31.31 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 -2.30 3.21 -0.16 2.89 0.08 -1.00 -1.70 117.98 119.00 1ieh s PHE 68 Ca -0.23 0.05 0.01 0.00 0.12 0.00 0.00 56.93 56.88 1ieh s PHE 68 Cb 0.09 -1.59 0.03 0.00 -0.57 0.00 0.00 43.02 40.97 1ieh s PHE 68 CO 0.29 0.52 -0.14 0.99 -0.10 0.00 0.00 175.22 176.78 1ieh s THR 69 N -1.56 1.66 -0.26 0.64 2.01 -0.71 -4.84 115.64 112.58 1ieh s THR 69 Ca 0.31 -0.74 -0.09 0.00 0.31 0.00 0.00 61.69 61.47 1ieh s THR 69 Cb -0.11 -1.57 -0.04 0.00 0.01 0.00 0.00 72.50 70.78 1ieh s THR 69 CO 0.23 0.43 0.13 -0.51 -0.69 0.00 0.00 174.62 174.21 1ieh s ILE 70 N 1.44 4.83 0.22 1.82 2.07 -1.26 -0.99 121.20 129.32 1ieh s ILE 70 Ca 0.04 0.00 -0.17 0.00 -1.41 0.00 0.00 60.65 59.11 1ieh s ILE 70 Cb -0.13 -3.28 0.02 0.00 0.13 0.00 0.00 42.46 39.20 1ieh s ILE 70 CO -0.11 0.30 0.54 -0.44 -1.91 0.00 0.00 174.94 173.32 1ieh s SER 71 N 1.65 -0.23 0.34 4.50 0.01 -0.58 -4.91 113.70 114.49 1ieh s SER 71 Ca 0.07 -0.58 -0.12 0.00 1.31 0.00 0.00 55.95 56.62 1ieh s SER 71 Cb -0.15 0.60 0.05 0.00 0.21 0.00 0.00 66.02 66.73 1ieh s SER 71 CO 0.07 -1.11 0.68 -2.11 0.41 0.00 0.00 173.24 171.18 1ieh n ARG 72 N -0.36 0.97 -2.69 12.44 1.85 -1.26 -0.32 116.66 127.28 1ieh n ARG 72 Ca -0.08 -2.00 -0.23 0.00 -1.00 0.00 0.00 57.85 54.55 1ieh n ARG 72 Cb 0.62 2.44 0.11 0.00 -1.05 0.00 0.00 32.46 34.58 1ieh n ARG 72 CO 0.00 0.00 0.00 0.16 -0.01 0.00 0.00 177.63 177.78 1ieh s ASP 73 N -2.82 4.36 -0.05 2.89 1.47 -1.24 -4.97 116.67 116.31 1ieh s ASP 73 Ca 0.15 -0.56 0.07 0.00 1.18 0.00 0.00 52.55 53.39 1ieh s ASP 73 Cb -0.04 0.23 0.10 0.00 -0.34 0.00 0.00 42.92 42.87 1ieh s ASP 73 CO 0.11 -1.87 0.98 -0.46 0.68 0.00 0.00 175.17 174.62 1ieh n ASN 74 N -2.78 1.59 -2.67 2.11 0.23 -1.26 -4.55 115.26 107.93 1ieh n ASN 74 Ca 0.16 -2.24 -0.05 0.00 -0.53 0.00 0.00 54.58 51.93 1ieh n ASN 74 Cb 0.61 -0.18 0.04 0.00 -2.08 0.00 0.00 39.78 38.18 1ieh n ASN 74 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1ieh n ALA 75 N -0.70 -1.41 -1.12 -2.53 0.00 -1.26 -4.82 120.51 108.68 1ieh n ALA 75 Ca 0.06 -0.72 0.00 0.00 0.00 0.00 0.00 53.44 52.77 1ieh n ALA 75 Cb 0.48 -1.29 0.00 0.00 0.00 0.00 0.00 19.45 18.63 1ieh n ALA 75 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 1ieh n LYS 76 N -0.35 0.00 -3.17 0.00 4.81 -1.26 -5.08 118.16 113.11 1ieh n LYS 76 Ca -0.16 0.00 -0.10 0.00 -0.87 0.00 0.00 58.31 57.18 1ieh n LYS 76 Cb 0.72 -0.01 0.01 0.00 0.02 0.00 0.00 35.03 35.77 1ieh n LYS 76 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 1ieh n ASN 77 N 0.00 -7.15 -3.47 3.14 4.13 -1.26 -4.92 115.26 105.73 1ieh n ASN 77 Ca 0.00 -0.08 -0.13 0.00 1.68 0.00 0.00 54.58 56.06 1ieh n ASN 77 Cb 0.04 -4.41 -0.03 0.00 -1.54 0.00 0.00 39.78 33.85 1ieh n ASN 77 CO 0.00 0.00 0.00 0.42 0.28 0.00 0.00 177.26 177.96 1ieh s THR 78 N -2.77 0.00 -0.12 3.41 -4.23 -1.26 -3.11 115.64 107.57 1ieh s THR 78 Ca 0.10 0.00 0.01 0.00 -1.18 0.00 0.00 61.69 60.62 1ieh s THR 78 Cb -0.02 -1.00 0.02 0.00 1.34 0.00 0.00 72.50 72.84 1ieh s THR 78 CO 0.79 0.00 -0.14 -0.22 -0.54 0.00 0.00 174.62 174.51 1ieh s LEU 79 N -2.27 1.64 -0.14 4.79 0.20 -0.39 -3.70 118.68 118.81 1ieh s LEU 79 Ca -0.01 -0.42 0.02 0.00 0.69 0.00 0.00 54.13 54.41 1ieh s LEU 79 Cb -0.01 -1.07 0.00 0.00 -0.43 0.00 0.00 46.19 44.69 1ieh s LEU 79 CO -0.07 -0.02 -0.19 -0.31 -0.29 0.00 0.00 176.35 175.47 1ieh s TYR 80 N 1.18 2.70 -0.03 5.38 1.51 0.56 -0.54 117.35 128.13 1ieh s TYR 80 Ca -0.03 -1.18 0.05 0.00 -1.01 0.00 0.00 57.07 54.91 1ieh s TYR 80 Cb -0.14 -1.83 -0.01 0.00 -0.11 0.00 0.00 41.96 39.87 1ieh s TYR 80 CO -0.04 -0.53 -0.18 -1.17 -1.11 0.00 0.00 175.55 172.51 1ieh s LEU 81 N 0.75 2.00 -0.42 -1.29 0.20 -0.94 -1.52 118.68 117.46 1ieh s LEU 81 Ca -0.08 -0.35 -0.11 0.00 0.69 0.00 0.00 54.13 54.28 1ieh s LEU 81 Cb -0.16 -0.98 0.06 0.00 -0.43 0.00 0.00 46.19 44.68 1ieh s LEU 81 CO 0.00 0.20 0.27 -1.58 -0.29 0.00 0.00 176.35 174.96 1ieh s GLN 82 N -0.27 2.75 -1.07 1.98 2.00 -0.17 -1.92 119.66 122.97 1ieh s GLN 82 Ca 0.03 -1.32 -0.20 0.00 -2.00 0.00 0.00 55.36 51.87 1ieh s GLN 82 Cb -0.09 -3.85 0.08 0.00 0.80 0.00 0.00 33.01 29.96 1ieh s GLN 82 CO 0.00 -0.89 1.43 -1.64 -0.50 0.00 0.00 175.29 173.69 1ieh s MET 83 N 1.51 3.71 0.42 1.67 -1.94 0.89 -1.74 119.30 123.83 1ieh s MET 83 Ca 0.03 -1.55 0.08 0.00 -1.71 0.00 0.00 55.69 52.54 1ieh s MET 83 Cb -0.22 -5.27 -0.01 0.00 2.01 0.00 0.00 34.83 31.34 1ieh s MET 83 CO 0.05 -2.08 0.43 1.21 -0.01 0.00 0.00 175.02 174.62 1ieh s ASN 84 N 4.36 5.20 -1.25 3.03 3.84 -0.69 -2.17 114.94 127.26 1ieh s ASN 84 Ca 0.44 -0.67 -0.05 0.00 0.21 0.00 0.00 52.86 52.78 1ieh s ASN 84 Cb -0.01 -0.56 -0.01 0.00 -0.55 0.00 0.00 41.25 40.12 1ieh s ASN 84 CO -0.06 -0.70 0.71 -1.20 -2.79 0.00 0.00 177.10 173.06 1ieh n SER 85 N -1.64 -2.57 -4.73 -4.21 7.64 -1.26 -4.30 113.62 102.55 1ieh n SER 85 Ca 0.05 -0.88 -0.29 0.00 1.01 0.00 0.00 58.87 58.76 1ieh n SER 85 Cb 0.61 -3.90 0.15 0.00 -1.01 0.00 0.00 64.21 60.06 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 -6.53 1.88 0.00 -3.43 1.02 -1.26 -4.93 118.68 105.43 1ieh s LEU 86 Ca 0.16 1.14 0.00 0.00 0.02 0.00 0.00 54.13 55.45 1ieh s LEU 86 Cb -0.05 -3.43 0.00 0.00 0.02 0.00 0.00 46.19 42.73 1ieh s LEU 86 CO 0.82 -2.79 0.00 2.29 0.02 0.00 0.00 176.35 176.69 1ieh n LYS 87 N -3.95 0.00 0.00 1.70 2.85 -1.26 -4.10 118.16 113.40 1ieh n LYS 87 Ca 0.06 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.32 1ieh n LYS 87 Cb 0.58 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.96 1ieh n LYS 87 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 177.40 177.80 1ieh n SER 88 N -2.44 0.00 0.26 -5.58 2.88 -1.26 -4.89 113.62 102.59 1ieh n SER 88 Ca 0.00 0.00 0.17 0.00 -1.33 0.00 0.00 58.87 57.71 1ieh n SER 88 Cb 0.00 0.06 0.94 0.00 -0.75 0.00 0.00 64.21 64.46 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 -0.03 -1.46 4.11 -1.98 -0.40 114.58 114.81 1ieh h GLU 89 Ca 0.00 0.00 -0.17 0.00 0.07 0.00 0.00 59.36 59.26 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 -0.76 -0.44 0.07 0.00 0.00 179.01 177.88 1ieh h ASP 90 N 0.00 0.26 -0.83 3.06 5.19 -1.96 -3.41 116.42 118.73 1ieh h ASP 90 Ca 0.00 -0.19 -0.21 0.00 -0.62 0.00 0.00 57.03 56.01 1ieh h ASP 90 Cb 0.00 -0.08 -0.02 0.00 0.18 0.00 0.00 39.33 39.42 1ieh h ASP 90 CO 0.00 0.92 0.63 -0.89 -3.12 0.00 0.00 179.24 176.78 1ieh s THR 91 N -3.45 3.16 0.00 0.35 2.01 -0.16 -4.76 115.64 112.79 1ieh s THR 91 Ca -0.03 -0.08 0.00 0.00 0.31 0.00 0.00 61.69 61.88 1ieh s THR 91 Cb 0.11 -3.38 0.00 0.00 0.01 0.00 0.00 72.50 69.24 1ieh s THR 91 CO 0.81 -0.36 0.00 0.00 -0.69 0.00 0.00 174.62 174.38 1ieh n ALA 92 N 16.34 0.00 -2.94 7.40 0.00 0.03 -4.63 120.51 136.71 1ieh n ALA 92 Ca 0.41 0.00 -0.35 0.00 0.00 0.00 0.00 53.44 53.50 1ieh n ALA 92 Cb 0.47 0.00 -0.11 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 -2.38 4.33 -0.09 0.00 1.01 -0.92 -1.51 120.40 120.83 1ieh s VAL 93 Ca 0.00 -0.19 -0.01 0.00 0.00 0.00 0.00 61.98 61.78 1ieh s VAL 93 Cb 0.00 -2.96 -0.03 0.00 0.00 0.00 0.00 36.38 33.39 1ieh s VAL 93 CO 0.00 0.44 -0.04 -0.31 0.00 0.00 0.00 175.10 175.18 1ieh s TYR 94 N 0.74 3.02 0.30 5.22 1.51 -0.84 -0.02 117.35 127.27 1ieh s TYR 94 Ca 0.02 0.00 0.07 0.00 -1.01 0.00 0.00 57.07 56.15 1ieh s TYR 94 Cb -0.14 -1.78 -0.06 0.00 -0.11 0.00 0.00 41.96 39.87 1ieh s TYR 94 CO 0.02 0.29 -0.06 0.71 -1.11 0.00 0.00 175.55 175.41 1ieh s TYR 95 N -0.58 2.08 0.02 2.71 1.51 -0.09 -0.90 117.35 122.10 1ieh s TYR 95 Ca 0.09 -0.67 0.04 0.00 -1.01 0.00 0.00 57.07 55.53 1ieh s TYR 95 Cb -0.12 -1.22 -0.02 0.00 -0.11 0.00 0.00 41.96 40.50 1ieh s TYR 95 CO 0.02 0.34 -0.14 0.00 -1.11 0.00 0.00 175.55 174.67 1ieh s ALA 97 N -0.59 -1.54 0.13 0.00 0.00 -0.95 -3.00 121.76 115.80 1ieh s ALA 97 Ca 0.03 0.26 -0.21 0.00 0.00 0.00 0.00 51.96 52.04 1ieh s ALA 97 Cb -0.06 0.72 -0.07 0.00 0.00 0.00 0.00 23.12 23.71 1ieh s ALA 97 CO 0.00 -0.91 0.65 0.21 0.00 0.00 0.00 175.76 175.72 1ieh s LYS 98 N -3.56 4.29 0.76 0.00 2.20 -1.26 -1.02 119.74 121.15 1ieh s LYS 98 Ca 0.08 0.86 -0.09 0.00 -0.36 0.00 0.00 55.97 56.46 1ieh s LYS 98 Cb -0.03 -3.16 0.09 0.00 -1.51 0.00 0.00 37.83 33.22 1ieh s LYS 98 CO -0.02 0.57 1.09 -0.47 -0.36 0.00 0.00 175.35 176.16 1ieh s TYR 99 N -1.22 2.68 0.00 4.03 5.04 -0.89 -4.52 117.35 122.47 1ieh s TYR 99 Ca 0.34 0.46 0.00 0.00 -2.44 0.00 0.00 57.07 55.42 1ieh s TYR 99 Cb -0.20 -3.37 0.00 0.00 0.35 0.00 0.00 41.96 38.74 1ieh s TYR 99 CO 0.21 -1.67 0.00 0.43 -1.34 0.00 0.00 175.55 173.19 1ieh n SER 100 N -3.11 0.00 0.00 4.32 7.64 -1.26 -4.65 113.62 116.55 1ieh n SER 100 Ca 0.09 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.97 1ieh n SER 100 Cb 0.60 0.24 0.00 0.00 -1.01 0.00 0.00 64.21 64.05 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 -0.48 0.29 0.00 0.23 0.00 -1.26 -5.04 105.19 98.93 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 2.99 0.98 3.24 -0.02 0.00 -1.26 -5.10 105.19 106.02 1ieh n GLY 102 Ca 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.87 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 -0.02 1.43 0.17 4.61 0.00 -1.26 -5.06 121.76 121.63 1ieh s ALA 103 Ca 0.00 -1.40 0.01 0.00 0.00 0.00 0.00 51.96 50.57 1ieh s ALA 103 Cb 0.00 0.01 -0.04 0.00 0.00 0.00 0.00 23.12 23.09 1ieh s ALA 103 CO 0.00 -0.03 0.33 -1.17 0.00 0.00 0.00 175.76 174.90 1ieh s LEU 104 N -2.87 4.29 -0.21 0.00 2.96 -1.26 -4.44 118.68 117.15 1ieh s LEU 104 Ca 0.13 0.29 0.08 0.00 -0.22 0.00 0.00 54.13 54.40 1ieh s LEU 104 Cb -0.00 -3.04 -0.21 0.00 0.50 0.00 0.00 46.19 43.43 1ieh s LEU 104 CO 0.01 0.01 0.01 -0.67 -1.32 0.00 0.00 176.35 174.39 1ieh n ASP 105 N -0.57 1.19 -1.84 3.68 -0.08 -1.26 -5.04 116.55 112.62 1ieh n ASP 105 Ca -0.06 -0.01 0.00 0.00 -1.51 0.00 0.00 54.79 53.21 1ieh n ASP 105 Cb 0.54 0.09 0.00 0.00 2.34 0.00 0.00 41.12 44.08 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 -2.99 -2.36 -0.60 -1.67 0.00 -1.26 -5.01 120.51 106.61 1ieh n ALA 106 Ca -0.38 0.32 0.00 0.00 0.00 0.00 0.00 53.44 53.38 1ieh n ALA 106 Cb 1.06 -0.98 0.00 0.00 0.00 0.00 0.00 19.45 19.53 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 1.20 0.00 -3.67 0.00 8.01 -1.23 -5.03 117.44 116.72 1ieh n TRP 107 Ca 0.00 0.00 -0.32 0.00 -1.31 0.00 0.00 57.50 55.87 1ieh n TRP 107 Cb 0.00 0.00 -0.05 0.00 -2.01 0.00 0.00 31.31 29.25 1ieh n TRP 107 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.69 176.88 1ieh s GLY 108 N -0.00 2.25 0.21 6.99 0.00 -1.16 -2.96 107.32 112.66 1ieh s GLY 108 Ca 0.00 -0.54 -0.32 0.00 0.00 0.00 0.00 44.72 43.86 1ieh s GLY 108 CO 0.00 -0.42 1.39 -1.06 0.00 0.00 0.00 173.10 173.01 1ieh n GLN 109 N 0.35 1.89 -2.41 2.90 1.13 -1.25 -4.53 117.38 115.46 1ieh n GLN 109 Ca -0.04 0.67 -0.43 0.00 -1.94 0.00 0.00 57.00 55.26 1ieh n GLN 109 Cb 0.52 -2.32 -0.02 0.00 0.11 0.00 0.00 30.24 28.53 1ieh n GLN 109 CO 0.00 0.00 0.00 0.20 -1.44 0.00 0.00 177.06 175.82 1ieh s GLY 110 N 0.33 1.33 0.09 1.08 0.00 -1.26 -2.77 107.32 106.12 1ieh s GLY 110 Ca 0.71 0.04 -0.31 0.00 0.00 0.00 0.00 44.72 45.16 1ieh s GLY 110 CO 0.48 2.61 1.31 -1.08 0.00 0.00 0.00 173.10 176.43 1ieh s THR 111 N 4.57 3.61 -0.78 0.90 -1.32 -0.07 -4.78 115.64 117.77 1ieh s THR 111 Ca 0.57 1.15 -0.24 0.00 -1.21 0.00 0.00 61.69 61.96 1ieh s THR 111 Cb -0.16 -3.74 0.06 0.00 -1.51 0.00 0.00 72.50 67.15 1ieh s THR 111 CO 0.25 0.09 1.18 -1.58 -2.21 0.00 0.00 174.62 172.34 1ieh s GLN 112 N 1.12 3.27 -0.22 7.08 2.00 -1.26 -1.99 119.66 129.66 1ieh s GLN 112 Ca 0.62 -0.76 -0.08 0.00 -2.00 0.00 0.00 55.36 53.14 1ieh s GLN 112 Cb -0.34 -4.47 -0.04 0.00 0.80 0.00 0.00 33.01 28.97 1ieh s GLN 112 CO 0.30 -2.00 0.07 0.08 -0.50 0.00 0.00 175.29 173.24 1ieh s VAL 113 N 4.67 4.58 0.24 1.34 1.01 -0.57 -3.41 120.40 128.26 1ieh s VAL 113 Ca 0.32 -0.09 0.09 0.00 0.00 0.00 0.00 61.98 62.29 1ieh s VAL 113 Cb -0.10 -3.11 -0.05 0.00 0.00 0.00 0.00 36.38 33.13 1ieh s VAL 113 CO 0.07 0.39 -0.15 -0.89 0.00 0.00 0.00 175.10 174.51 1ieh s THR 114 N 1.06 1.96 -0.30 3.92 2.01 -0.71 -0.79 115.64 122.78 1ieh s THR 114 Ca 0.04 -2.26 -0.01 0.00 0.31 0.00 0.00 61.69 59.78 1ieh s THR 114 Cb -0.14 -2.18 0.09 0.00 0.01 0.00 0.00 72.50 70.28 1ieh s THR 114 CO 0.03 -0.50 0.08 -0.69 -0.69 0.00 0.00 174.62 172.86 1ieh s VAL 115 N -2.83 0.91 0.32 3.82 1.01 -1.26 -2.18 120.40 120.19 1ieh s VAL 115 Ca 0.26 -1.34 0.08 0.00 0.00 0.00 0.00 61.98 60.97 1ieh s VAL 115 Cb -0.01 -1.64 -0.06 0.00 0.00 0.00 0.00 36.38 34.66 1ieh s VAL 115 CO 0.10 -0.60 -0.06 -0.94 0.00 0.00 0.00 175.10 173.60 1ieh s SER 116 N 1.61 3.23 0.03 3.32 1.04 0.18 -4.89 113.70 118.22 1ieh s SER 116 Ca 0.08 -1.22 0.25 0.00 0.48 0.00 0.00 55.95 55.54 1ieh s SER 116 Cb -0.17 -0.26 0.49 0.00 0.10 0.00 0.00 66.02 66.18 1ieh s SER 116 CO -0.22 -0.31 1.41 -1.54 0.98 0.00 0.00 173.24 173.55 1ieh n SER 117 N -0.71 0.52 0.00 7.02 3.41 -1.26 -3.33 113.62 119.27 1ieh n SER 117 Ca -0.05 -0.11 0.00 0.00 -0.26 0.00 0.00 58.87 58.45 1ieh n SER 117 Cb 0.64 0.20 0.00 0.00 -0.26 0.00 0.00 64.21 64.79 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 -1.67 0.00 -1.67 4.33 10.64 -1.26 -4.49 117.38 123.26 1ieh n GLN 118 Ca 0.05 0.00 0.02 0.00 -1.83 0.00 0.00 57.00 55.24 1ieh n GLN 118 Cb 0.37 0.00 0.02 0.00 -0.86 0.00 0.00 30.24 29.76 1ieh n GLN 118 CO 0.00 0.00 0.00 -1.13 -1.83 0.00 0.00 177.06 174.10 1ieh n SER 119 N -3.72 0.85 -4.41 2.61 3.41 -1.26 -5.11 113.62 105.99 1ieh n SER 119 Ca 0.00 -2.01 -0.30 0.00 -0.26 0.00 0.00 58.87 56.31 1ieh n SER 119 Cb 0.00 -0.25 0.15 0.00 -0.26 0.00 0.00 64.21 63.85 1ieh n SER 119 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 1ieh s GLU 120 N -0.55 1.09 0.00 4.33 0.41 -1.26 -5.00 118.70 117.72 1ieh s GLU 120 Ca 0.29 -0.21 0.00 0.00 -0.41 0.00 0.00 54.97 54.64 1ieh s GLU 120 Cb 0.34 -1.88 0.00 0.00 -1.78 0.00 0.00 34.13 30.81 1ieh s GLU 120 CO -0.13 -2.14 0.00 0.94 -0.49 0.00 0.00 175.26 173.44 1ieh n GLN 121 N -3.62 0.00 -4.28 1.61 0.00 -1.26 -5.14 117.38 104.69 1ieh n GLN 121 Ca 0.12 0.00 -0.23 0.00 -0.00 0.00 0.00 57.00 56.89 1ieh n GLN 121 Cb 0.60 -0.06 -0.07 0.00 0.00 0.00 0.00 30.24 30.71 1ieh n GLN 121 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.06 177.27 1ieh s LYS 122 N -1.00 2.24 -0.44 3.69 2.20 -1.26 -5.09 119.74 120.08 1ieh s LYS 122 Ca 0.00 -1.51 0.03 0.00 -0.36 0.00 0.00 55.97 54.14 1ieh s LYS 122 Cb 0.00 -2.11 0.25 0.00 -1.51 0.00 0.00 37.83 34.46 1ieh s LYS 122 CO 0.00 0.29 0.99 -0.11 -0.36 0.00 0.00 175.35 176.16 1ieh n LEU 123 N -0.93 -2.43 0.00 5.43 0.00 -1.26 -5.08 117.00 112.73 1ieh n LEU 123 Ca -0.05 -2.85 0.00 0.00 0.00 0.00 0.00 56.01 53.10 1ieh n LEU 123 Cb 0.60 0.75 0.00 0.00 0.00 0.00 0.00 43.42 44.77 1ieh n LEU 123 CO 0.41 1.87 0.00 -0.38 0.00 0.00 0.00 177.39 179.29 1ieh n ILE 124 N 1.61 0.00 -1.26 1.96 5.41 -1.26 -4.74 119.36 121.09 1ieh n ILE 124 Ca 0.07 0.00 -0.11 0.00 1.00 0.00 0.00 62.75 63.71 1ieh n ILE 124 Cb 0.65 0.00 -0.05 0.00 -0.71 0.00 0.00 39.64 39.54 1ieh n ILE 124 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 176.55 175.01 1ieh n SER 125 N 4.40 -5.02 -0.44 4.38 3.41 -1.26 -4.54 113.62 114.55 1ieh n SER 125 Ca 0.00 0.26 0.00 0.00 -0.26 0.00 0.00 58.87 58.87 1ieh n SER 125 Cb 0.00 -3.83 0.00 0.00 -0.26 0.00 0.00 64.21 60.12 1ieh n SER 125 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1ieh n GLU 126 N -0.91 0.00 -2.25 4.33 1.02 -1.26 -4.99 120.64 116.57 1ieh n GLU 126 Ca -0.11 0.00 -0.17 0.00 -0.02 0.00 0.00 57.16 56.86 1ieh n GLU 126 Cb 0.53 0.00 -0.02 0.00 -0.02 0.00 0.00 31.44 31.93 1ieh n GLU 126 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 1ieh n GLU 127 N 0.00 -1.83 -1.29 3.49 1.02 -1.26 -4.67 120.64 116.10 1ieh n GLU 127 Ca 0.00 0.86 0.18 0.00 -0.02 0.00 0.00 57.16 58.18 1ieh n GLU 127 Cb 0.49 -5.44 -0.04 0.00 -0.02 0.00 0.00 31.44 26.42 1ieh n GLU 127 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 1ieh n ASP 128 N -1.75 -8.29 -4.29 1.62 -0.08 -1.26 -4.72 116.55 97.78 1ieh n ASP 128 Ca -0.20 1.39 -0.37 0.00 -1.51 0.00 0.00 54.79 54.11 1ieh n ASP 128 Cb 0.64 -3.90 -0.13 0.00 2.34 0.00 0.00 41.12 40.07 1ieh n ASP 128 CO 0.00 0.00 0.00 -0.76 0.12 0.00 0.00 177.20 176.56 1ieh s LEU 129 N 0.00 3.79 0.04 -2.67 1.43 -1.26 -5.10 118.68 114.91 1ieh s LEU 129 Ca 0.00 -0.86 0.02 0.00 -1.03 0.00 0.00 54.13 52.26 1ieh s LEU 129 Cb 0.00 -1.82 -0.04 0.00 0.03 0.00 0.00 46.19 44.36 1ieh s LEU 129 CO 0.00 -0.21 0.04 0.20 0.23 0.00 0.00 176.35 176.62 1ieh s ASN 130 N 1.43 5.36 0.00 2.29 -0.87 -1.26 -5.13 114.94 116.76 1ieh s ASN 130 Ca 0.01 -0.00 0.00 0.00 -1.57 0.00 0.00 52.86 51.30 1ieh s ASN 130 Cb -0.18 -1.43 0.00 0.00 -0.02 0.00 0.00 41.25 39.63 1ieh s ASN 130 CO 0.01 0.23 0.00 1.41 -2.57 0.00 0.00 177.10 176.18 1ieh n HIS 131 N 0.92 -0.56 -4.15 2.20 8.25 -1.26 -5.17 115.22 115.46 1ieh n HIS 131 Ca -0.12 0.00 -0.13 0.00 -0.26 0.00 0.00 57.72 57.21 1ieh n HIS 131 Cb 0.52 0.00 -0.11 0.00 1.12 0.00 0.00 29.99 31.52 1ieh n HIS 131 CO 0.00 0.00 0.00 -1.01 0.64 0.00 0.00 176.34 175.97 1ieh s HIS 132 N 0.21 0.92 -0.06 4.41 3.76 -1.26 -5.09 115.29 118.18 1ieh s HIS 132 Ca 0.00 -0.69 -0.08 0.00 -0.15 0.00 0.00 55.06 54.14 1ieh s HIS 132 Cb 0.00 -0.52 -0.03 0.00 1.11 0.00 0.00 32.58 33.14 1ieh s HIS 132 CO 0.00 -0.06 -0.15 1.58 -0.85 0.00 0.00 174.74 175.26 1ieh n HIS 133 N 0.61 0.00 -4.09 1.40 -0.00 -1.26 -5.12 115.22 106.76 1ieh n HIS 133 Ca -0.17 0.00 -0.15 0.00 0.46 0.00 0.00 57.72 57.86 1ieh n HIS 133 Cb 0.58 -0.22 -0.04 0.00 -0.12 0.00 0.00 29.99 30.19 1ieh n HIS 133 CO 0.00 0.00 0.00 0.72 0.46 0.00 0.00 176.34 177.52 1ieh n HIS 134 N -3.49 -1.31 0.18 1.57 8.25 -1.26 -5.40 115.22 113.76 1ieh n HIS 134 Ca -0.06 -2.38 0.02 0.00 -0.26 0.00 0.00 57.72 55.04 1ieh n HIS 134 Cb 0.23 0.49 0.02 0.00 1.12 0.00 0.00 29.99 31.85 1ieh n HIS 134 CO 0.00 0.00 0.00 -2.39 0.64 0.00 0.00 176.34 174.59