#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 0.25 -5.01 2.53 3.14 -1.26 -4.97 118.33 113.01 1ieh n VAL 2 Ca 0.00 -0.04 -0.32 0.00 -2.96 0.00 0.00 64.34 61.01 1ieh n VAL 2 Cb 0.00 -1.32 -0.14 0.00 -1.06 0.00 0.00 33.84 31.32 1ieh n VAL 2 CO 0.00 0.00 0.00 -1.58 -6.46 0.00 0.00 176.83 168.79 1ieh s GLN 3 N 2.48 2.41 0.25 1.45 -0.44 -1.26 -4.98 119.66 119.57 1ieh s GLN 3 Ca 0.91 -0.76 0.11 0.00 -2.50 0.00 0.00 55.36 53.11 1ieh s GLN 3 Cb -0.89 -2.29 -0.05 0.00 -1.64 0.00 0.00 33.01 28.14 1ieh s GLN 3 CO 0.53 0.60 -0.14 -0.51 0.50 0.00 0.00 175.29 176.27 1ieh s LEU 4 N -0.68 2.78 -0.20 3.68 1.43 -1.23 -4.00 118.68 120.44 1ieh s LEU 4 Ca 0.11 -0.85 0.00 0.00 -1.03 0.00 0.00 54.13 52.36 1ieh s LEU 4 Cb -0.11 -1.34 0.05 0.00 0.03 0.00 0.00 46.19 44.83 1ieh s LEU 4 CO 0.00 0.05 -0.06 -1.10 0.23 0.00 0.00 176.35 175.47 1ieh s GLN 5 N -3.37 1.63 -0.08 1.70 -0.21 -0.70 -2.55 119.66 116.09 1ieh s GLN 5 Ca 0.29 -0.79 -0.12 0.00 0.02 0.00 0.00 55.36 54.76 1ieh s GLN 5 Cb -0.06 -2.36 -0.05 0.00 1.00 0.00 0.00 33.01 31.54 1ieh s GLN 5 CO 0.16 -0.51 0.28 0.00 -2.12 0.00 0.00 175.29 173.10 1ieh s ALA 6 N 1.48 3.75 0.21 6.09 0.00 -1.26 -0.89 121.76 131.14 1ieh s ALA 6 Ca -0.03 -0.43 -0.11 0.00 0.00 0.00 0.00 51.96 51.40 1ieh s ALA 6 Cb -0.17 -2.22 0.04 0.00 0.00 0.00 0.00 23.12 20.77 1ieh s ALA 6 CO -0.07 0.46 0.55 0.45 0.00 0.00 0.00 175.76 177.14 1ieh n SER 7 N 2.24 -1.37 0.00 0.00 2.88 -0.28 -3.58 113.62 113.51 1ieh n SER 7 Ca -0.16 -1.89 0.00 0.00 -1.33 0.00 0.00 58.87 55.49 1ieh n SER 7 Cb 0.53 2.26 0.00 0.00 -0.75 0.00 0.00 64.21 66.26 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 -0.38 0.62 3.72 0.46 0.00 -1.26 -1.86 105.19 106.49 1ieh n GLY 8 Ca -0.04 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.63 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 -1.07 2.47 0.16 -0.02 0.00 -1.26 -4.61 107.32 102.99 1ieh s GLY 9 Ca 0.00 0.97 -0.03 0.00 0.00 0.00 0.00 44.72 45.66 1ieh s GLY 9 CO 0.00 1.38 0.27 0.61 0.00 0.00 0.00 173.10 175.36 1ieh n GLY 10 N 0.55 2.21 3.58 0.20 0.00 -1.25 -4.90 105.19 105.58 1ieh n GLY 10 Ca 0.14 -1.33 -0.36 0.00 0.00 0.00 0.00 46.02 44.47 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 3.78 0.00 0.99 2.01 -1.26 -2.40 118.68 121.80 1ieh s LEU 11 Ca 0.10 0.00 0.01 0.00 0.01 0.00 0.00 54.13 54.25 1ieh s LEU 11 Cb -0.01 -1.99 -0.00 0.00 0.01 0.00 0.00 46.19 44.20 1ieh s LEU 11 CO 0.08 0.08 0.03 1.33 1.01 0.00 0.00 176.35 178.88 1ieh n VAL 12 N 4.16 0.00 -4.62 -1.59 0.24 -0.91 -4.99 118.33 110.62 1ieh n VAL 12 Ca -0.16 -1.11 -0.29 0.00 -2.04 0.00 0.00 64.34 60.73 1ieh n VAL 12 Cb 0.52 0.30 -0.14 0.00 -1.47 0.00 0.00 33.84 33.06 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 -2.79 1.57 -0.89 7.34 1.11 -1.26 -0.84 119.66 123.90 1ieh s GLN 13 Ca 0.04 -1.24 -0.18 0.00 0.01 0.00 0.00 55.36 54.00 1ieh s GLN 13 Cb 0.00 -1.92 -0.24 0.00 -1.01 0.00 0.00 33.01 29.84 1ieh s GLN 13 CO 0.03 0.47 2.31 -2.30 0.01 0.00 0.00 175.29 175.81 1ieh n PRO 14 N 1.30 0.27 0.00 2.91 -0.02 -1.26 0.05 135.00 138.26 1ieh n PRO 14 Ca -0.18 -0.33 0.00 0.00 -2.02 0.00 0.00 63.50 60.97 1ieh n PRO 14 Cb 0.53 -2.22 0.00 0.00 -0.02 0.00 0.00 33.50 31.79 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 6.11 1.89 0.00 -1.23 0.00 -1.06 -4.96 105.19 105.93 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 -0.26 1.10 3.64 -0.02 0.00 0.11 -4.91 105.19 104.86 1ieh n GLY 16 Ca 0.00 -0.78 -0.03 0.00 0.00 0.00 0.00 46.02 45.20 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 0.17 1.61 1.04 -1.26 -4.48 113.70 109.20 1ieh s SER 17 Ca 0.00 0.93 0.07 0.00 0.48 0.00 0.00 55.95 57.43 1ieh s SER 17 Cb 0.00 1.24 -0.04 0.00 0.10 0.00 0.00 66.02 67.31 1ieh s SER 17 CO 0.00 -0.15 -0.14 -0.22 0.98 0.00 0.00 173.24 173.71 1ieh s LEU 18 N 1.38 2.51 -0.25 2.42 0.20 -0.85 -4.96 118.68 119.13 1ieh s LEU 18 Ca -0.09 -0.96 -0.03 0.00 0.69 0.00 0.00 54.13 53.74 1ieh s LEU 18 Cb -0.04 -0.60 0.11 0.00 -0.43 0.00 0.00 46.19 45.23 1ieh s LEU 18 CO -0.16 -0.18 0.22 -0.60 -0.29 0.00 0.00 176.35 175.34 1ieh s ARG 19 N -3.36 0.23 0.17 1.98 3.00 -1.26 -0.44 118.95 119.26 1ieh s ARG 19 Ca 0.18 -0.10 0.06 0.00 -1.00 0.00 0.00 55.73 54.87 1ieh s ARG 19 Cb -0.01 -1.06 -0.04 0.00 0.00 0.00 0.00 34.95 33.84 1ieh s ARG 19 CO 0.05 -0.86 0.06 0.14 0.00 0.00 0.00 175.30 174.68 1ieh s VAL 20 N 2.27 4.04 0.20 7.11 -7.23 -0.79 -4.86 120.40 121.14 1ieh s VAL 20 Ca 0.08 -1.28 0.02 0.00 -1.81 0.00 0.00 61.98 58.99 1ieh s VAL 20 Cb -0.15 -3.05 -0.05 0.00 0.56 0.00 0.00 36.38 33.69 1ieh s VAL 20 CO -0.24 -0.11 0.01 -0.94 -0.31 0.00 0.00 175.10 173.50 1ieh s SER 21 N -3.01 1.47 -0.11 4.85 1.04 -0.78 -1.51 113.70 115.64 1ieh s SER 21 Ca 0.29 -1.21 -0.02 0.00 0.48 0.00 0.00 55.95 55.49 1ieh s SER 21 Cb -0.10 0.08 0.04 0.00 0.10 0.00 0.00 66.02 66.14 1ieh s SER 21 CO 0.21 -0.55 0.02 0.00 0.98 0.00 0.00 173.24 173.89 1ieh s ALA 23 N 1.95 3.45 0.42 0.00 0.00 -0.07 -1.79 121.76 125.73 1ieh s ALA 23 Ca 0.03 -0.73 0.07 0.00 0.00 0.00 0.00 51.96 51.33 1ieh s ALA 23 Cb -0.14 -3.28 -0.04 0.00 0.00 0.00 0.00 23.12 19.66 1ieh s ALA 23 CO -0.06 -1.41 0.22 0.00 0.00 0.00 0.00 175.76 174.51 1ieh s ALA 24 N 2.92 3.72 -0.30 0.00 0.00 -1.03 -1.71 121.76 125.36 1ieh s ALA 24 Ca 0.28 -2.00 -0.13 0.00 0.00 0.00 0.00 51.96 50.11 1ieh s ALA 24 Cb -0.14 -0.51 0.18 0.00 0.00 0.00 0.00 23.12 22.65 1ieh s ALA 24 CO 0.16 -0.19 1.03 0.45 0.00 0.00 0.00 175.76 177.21 1ieh s SER 25 N -3.96 -0.50 0.00 0.00 0.15 -1.26 -4.69 113.70 103.44 1ieh s SER 25 Ca 0.41 0.36 0.00 0.00 0.70 0.00 0.00 55.95 57.43 1ieh s SER 25 Cb 0.02 1.44 0.00 0.00 -1.71 0.00 0.00 66.02 65.77 1ieh s SER 25 CO 0.23 -0.09 0.00 0.61 1.20 0.00 0.00 173.24 175.19 1ieh n GLY 26 N 5.39 -0.43 0.00 9.45 0.00 -1.26 -4.47 105.19 113.87 1ieh n GLY 26 Ca -0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.95 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 -1.27 1.61 -1.74 -1.26 -4.64 117.46 110.17 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 -3.62 -2.44 1.97 -1.04 -1.26 -4.87 114.28 103.01 1ieh n THR 28 Ca 0.00 1.63 -0.25 0.00 -2.04 0.00 0.00 64.05 63.39 1ieh n THR 28 Cb 0.00 -2.38 0.14 0.00 -1.82 0.00 0.00 70.33 66.27 1ieh n THR 28 CO 0.00 0.00 0.00 -0.36 -0.64 0.00 0.00 175.07 174.07 1ieh s PHE 29 N -3.94 1.38 -0.94 -1.42 0.40 -1.26 -4.24 117.98 107.95 1ieh s PHE 29 Ca 0.00 -0.20 0.00 0.00 -0.60 0.00 0.00 56.93 56.13 1ieh s PHE 29 Cb 0.00 -3.29 0.00 0.00 0.51 0.00 0.00 43.02 40.24 1ieh s PHE 29 CO 0.00 -2.05 0.00 -1.13 0.70 0.00 0.00 175.22 172.74 1ieh n SER 30 N -3.11 -5.31 -0.01 1.36 3.41 -1.26 -4.70 113.62 103.99 1ieh n SER 30 Ca 0.16 0.22 -0.00 0.00 -0.26 0.00 0.00 58.87 58.99 1ieh n SER 30 Cb 0.60 -3.84 -0.04 0.00 -0.26 0.00 0.00 64.21 60.68 1ieh n SER 30 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1ieh n SER 31 N -0.91 3.86 -3.44 4.04 7.64 -1.26 -4.34 113.62 119.20 1ieh n SER 31 Ca -0.09 0.00 -0.21 0.00 1.01 0.00 0.00 58.87 59.58 1ieh n SER 31 Cb 0.54 0.89 -0.06 0.00 -1.01 0.00 0.00 64.21 64.57 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 -1.95 0.04 -3.25 1.43 4.01 -1.26 -4.91 117.16 111.27 1ieh n TYR 32 Ca -0.05 -2.24 -0.46 0.00 -0.16 0.00 0.00 57.90 55.00 1ieh n TYR 32 Cb 0.42 0.02 -0.03 0.00 -0.31 0.00 0.00 39.34 39.44 1ieh n TYR 32 CO 0.00 0.00 0.00 -1.01 -0.46 0.00 0.00 176.86 175.39 1ieh s HIS 33 N -2.88 3.52 0.74 -0.72 3.76 -1.26 -3.89 115.29 114.56 1ieh s HIS 33 Ca 0.19 -1.70 -0.10 0.00 -0.15 0.00 0.00 55.06 53.30 1ieh s HIS 33 Cb 0.01 -3.90 0.17 0.00 1.11 0.00 0.00 32.58 29.96 1ieh s HIS 33 CO 0.14 -1.10 1.01 -1.33 -0.85 0.00 0.00 174.74 172.61 1ieh n MET 34 N 4.76 -0.75 -3.52 1.40 2.81 -1.20 -0.01 117.12 120.61 1ieh n MET 34 Ca 0.09 -1.85 -0.11 0.00 -1.81 0.00 0.00 57.70 54.02 1ieh n MET 34 Cb 0.46 -0.96 -0.04 0.00 -0.71 0.00 0.00 33.22 31.98 1ieh n MET 34 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1ieh s ALA 35 N -3.72 -1.82 -0.29 3.04 0.00 -0.04 -2.08 121.76 116.85 1ieh s ALA 35 Ca 0.60 1.17 -0.08 0.00 0.00 0.00 0.00 51.96 53.65 1ieh s ALA 35 Cb -0.02 0.07 -0.01 0.00 0.00 0.00 0.00 23.12 23.16 1ieh s ALA 35 CO 0.41 -0.53 0.11 -1.58 0.00 0.00 0.00 175.76 174.18 1ieh s TRP 36 N -2.27 3.15 0.34 0.00 0.52 -0.31 -2.36 118.94 118.01 1ieh s TRP 36 Ca -0.00 -0.60 0.07 0.00 0.02 0.00 0.00 56.10 55.59 1ieh s TRP 36 Cb -0.01 -2.30 -0.01 0.00 -1.15 0.00 0.00 33.47 30.00 1ieh s TRP 36 CO -0.03 -0.45 0.42 0.08 0.02 0.00 0.00 176.95 176.99 1ieh s VAL 37 N 1.59 3.83 -0.26 4.03 1.01 0.15 -2.63 120.40 128.12 1ieh s VAL 37 Ca 0.05 -1.11 -0.16 0.00 0.00 0.00 0.00 61.98 60.76 1ieh s VAL 37 Cb -0.16 -3.31 0.08 0.00 0.00 0.00 0.00 36.38 32.98 1ieh s VAL 37 CO 0.05 -0.15 0.66 -0.60 0.00 0.00 0.00 175.10 175.06 1ieh s ARG 38 N -4.13 0.68 -0.23 2.72 3.52 0.45 -0.24 118.95 121.72 1ieh s ARG 38 Ca 0.44 1.15 -0.01 0.00 -0.13 0.00 0.00 55.73 57.19 1ieh s ARG 38 Cb -0.08 0.14 0.02 0.00 -1.56 0.00 0.00 34.95 33.48 1ieh s ARG 38 CO 0.30 -0.15 -0.10 -1.14 -0.81 0.00 0.00 175.30 173.40 1ieh s GLN 39 N 1.49 2.87 0.52 5.12 0.74 0.63 0.73 119.66 131.75 1ieh s GLN 39 Ca -0.09 -0.94 -0.18 0.00 0.05 0.00 0.00 55.36 54.20 1ieh s GLN 39 Cb -0.05 -2.86 -0.07 0.00 1.10 0.00 0.00 33.01 31.12 1ieh s GLN 39 CO -0.17 -0.34 1.01 0.00 -0.55 0.00 0.00 175.29 175.23 1ieh s ALA 40 N 1.30 2.94 0.56 1.58 0.00 -1.26 -1.94 121.76 124.94 1ieh s ALA 40 Ca 0.01 0.35 0.31 0.00 0.00 0.00 0.00 51.96 52.64 1ieh s ALA 40 Cb -0.16 -3.18 1.46 0.00 0.00 0.00 0.00 23.12 21.24 1ieh s ALA 40 CO -0.07 -0.34 1.83 -1.35 0.00 0.00 0.00 175.76 175.83 1ieh h PRO 41 N 1.08 0.00 -0.88 0.00 0.11 -1.96 -0.38 132.00 129.97 1ieh h PRO 41 Ca -0.48 0.00 -0.52 0.00 0.11 0.00 0.00 66.00 65.11 1ieh h PRO 41 Cb 1.20 0.00 -0.42 0.00 0.11 0.00 0.00 31.00 31.89 1ieh h PRO 41 CO 0.60 0.00 -0.84 0.41 -0.21 0.00 0.00 178.00 177.96 1ieh n GLY 42 N -1.65 5.77 0.70 -0.55 0.00 -1.26 -5.04 105.19 103.15 1ieh n GLY 42 Ca 0.17 -2.50 -0.04 0.00 0.00 0.00 0.00 46.02 43.65 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 -0.64 0.11 -2.76 1.61 4.81 -0.15 -5.09 118.16 116.04 1ieh n LYS 43 Ca 0.39 -0.68 -0.20 0.00 -0.87 0.00 0.00 58.31 56.94 1ieh n LYS 43 Cb 0.89 0.58 -0.01 0.00 0.02 0.00 0.00 35.03 36.52 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 -0.13 4.25 1.21 3.14 0.00 -1.26 -4.68 105.19 107.72 1ieh n GLY 44 Ca 0.01 -2.17 0.05 0.00 0.00 0.00 0.00 46.02 43.91 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 -0.18 -1.16 -3.66 0.99 0.00 -1.26 -5.01 117.00 106.73 1ieh n LEU 45 Ca 0.26 2.15 -0.11 0.00 0.00 0.00 0.00 56.01 58.32 1ieh n LEU 45 Cb 0.64 -2.32 -0.11 0.00 0.00 0.00 0.00 43.42 41.64 1ieh n LEU 45 CO 0.29 -1.00 -0.04 -0.70 0.00 0.00 0.00 177.39 175.94 1ieh s GLU 46 N -4.76 0.25 0.59 1.96 2.56 0.22 -4.87 118.70 114.66 1ieh s GLU 46 Ca 0.00 0.91 0.29 0.00 0.00 0.00 0.00 54.97 56.17 1ieh s GLU 46 Cb 0.00 0.17 1.37 0.00 2.00 0.00 0.00 34.13 37.68 1ieh s GLU 46 CO 0.00 -0.26 1.76 2.35 -0.56 0.00 0.00 175.26 178.55 1ieh h TRP 47 N 8.17 0.00 0.00 5.30 7.01 -1.85 0.13 115.95 134.71 1ieh h TRP 47 Ca -0.16 0.00 0.00 0.00 2.11 0.00 0.00 58.89 60.84 1ieh h TRP 47 Cb 1.11 0.00 0.00 0.00 -2.10 0.00 0.00 29.16 28.17 1ieh h TRP 47 CO 0.32 0.00 0.00 0.28 -2.79 0.00 0.00 178.44 176.25 1ieh n VAL 48 N -3.62 0.00 -3.90 2.65 0.31 -1.24 -3.56 118.33 108.97 1ieh n VAL 48 Ca 0.13 0.00 -0.10 0.00 -0.01 0.00 0.00 64.34 64.36 1ieh n VAL 48 Cb 0.89 0.00 -0.09 0.00 -0.91 0.00 0.00 33.84 33.73 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 -2.38 0.11 0.02 4.52 1.04 -1.08 -0.65 113.70 115.28 1ieh s SER 49 Ca 0.00 -0.42 0.03 0.00 0.48 0.00 0.00 55.95 56.04 1ieh s SER 49 Cb 0.00 0.23 -0.01 0.00 0.10 0.00 0.00 66.02 66.34 1ieh s SER 49 CO 0.00 -0.48 -0.09 -0.89 0.98 0.00 0.00 173.24 172.76 1ieh s THR 50 N -2.28 0.72 0.12 2.02 2.01 -0.85 -1.16 115.64 116.22 1ieh s THR 50 Ca -0.08 -0.68 0.10 0.00 0.31 0.00 0.00 61.69 61.35 1ieh s THR 50 Cb -0.03 -0.66 -0.04 0.00 0.01 0.00 0.00 72.50 71.79 1ieh s THR 50 CO -0.03 -0.01 -0.25 -0.51 -0.69 0.00 0.00 174.62 173.14 1ieh s ILE 51 N -0.64 2.05 0.17 1.82 2.07 -0.88 -3.27 121.20 122.52 1ieh s ILE 51 Ca -0.00 -1.66 -0.01 0.00 -1.41 0.00 0.00 60.65 57.57 1ieh s ILE 51 Cb -0.06 -1.82 -0.04 0.00 0.13 0.00 0.00 42.46 40.66 1ieh s ILE 51 CO 0.00 0.05 0.35 0.54 -1.91 0.00 0.00 174.94 173.97 1ieh s ASN 52 N -1.96 6.39 0.26 4.50 2.20 -1.26 -3.24 114.94 121.83 1ieh s ASN 52 Ca 0.11 0.37 -0.30 0.00 -0.94 0.00 0.00 52.86 52.10 1ieh s ASN 52 Cb -0.10 -2.00 -0.10 0.00 -2.00 0.00 0.00 41.25 37.06 1ieh s ASN 52 CO 0.05 0.01 1.41 -2.16 -2.94 0.00 0.00 177.10 173.47 1ieh s PRO 53 N -3.13 4.29 0.00 3.55 0.04 -1.25 -3.23 135.00 135.26 1ieh s PRO 53 Ca 0.38 2.27 0.00 0.00 0.04 0.00 0.00 61.00 63.69 1ieh s PRO 53 Cb -0.11 -3.11 0.00 0.00 0.04 0.00 0.00 34.50 31.32 1ieh s PRO 53 CO 0.28 -0.38 0.00 0.41 0.04 0.00 0.00 177.00 177.36 1ieh n GLY 54 N 2.00 0.80 3.26 0.56 0.00 -1.26 -4.54 105.19 106.02 1ieh n GLY 54 Ca 0.06 -0.34 -0.14 0.00 0.00 0.00 0.00 46.02 45.60 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 0.61 -6.76 0.00 1.61 9.92 -1.20 -5.03 116.55 115.71 1ieh n ASP 55 Ca 0.00 -0.16 0.00 0.00 -0.53 0.00 0.00 54.79 54.10 1ieh n ASP 55 Cb 0.00 -3.87 0.00 0.00 -0.64 0.00 0.00 41.12 36.61 1ieh n ASP 55 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1ieh n GLY 56 N -1.15 3.57 0.00 0.44 0.00 -1.24 -5.07 105.19 101.74 1ieh n GLY 56 Ca -0.07 -1.75 0.00 0.00 0.00 0.00 0.00 46.02 44.20 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 -0.90 -3.64 1.61 7.64 -1.26 -4.85 113.62 112.22 1ieh n SER 57 Ca 0.00 -0.15 -0.14 0.00 1.01 0.00 0.00 58.87 59.59 1ieh n SER 57 Cb 0.00 0.00 -0.07 0.00 -1.01 0.00 0.00 64.21 63.13 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 -0.60 0.00 -0.05 0.44 -4.23 -1.26 -4.26 115.64 105.68 1ieh s THR 58 Ca 0.00 -0.01 0.02 0.00 -1.18 0.00 0.00 61.69 60.53 1ieh s THR 58 Cb 0.00 -0.93 0.01 0.00 1.34 0.00 0.00 72.50 72.92 1ieh s THR 58 CO 0.00 -0.00 -0.10 -0.31 -0.54 0.00 0.00 174.62 173.67 1ieh s TYR 59 N 0.18 1.17 0.54 3.99 2.02 -1.20 -5.05 117.35 118.99 1ieh s TYR 59 Ca -0.01 -0.37 0.02 0.00 -0.37 0.00 0.00 57.07 56.34 1ieh s TYR 59 Cb -0.04 -0.87 0.01 0.00 -0.40 0.00 0.00 41.96 40.66 1ieh s TYR 59 CO 0.02 -0.19 0.15 0.71 -1.57 0.00 0.00 175.55 174.66 1ieh s TYR 60 N 0.51 1.69 -1.66 2.71 1.51 -1.26 -2.01 117.35 118.84 1ieh s TYR 60 Ca -0.10 -0.95 0.00 0.00 -1.01 0.00 0.00 57.07 55.01 1ieh s TYR 60 Cb -0.13 -1.70 0.00 0.00 -0.11 0.00 0.00 41.96 40.02 1ieh s TYR 60 CO 0.02 -0.05 0.80 0.00 -1.11 0.00 0.00 175.55 175.21 1ieh n ALA 61 N -1.48 2.46 0.00 3.71 0.00 0.17 -4.82 120.51 120.56 1ieh n ALA 61 Ca -0.14 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.30 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 -0.32 0.00 -0.50 0.00 -0.08 -1.26 -4.62 116.55 109.76 1ieh n ASP 62 Ca 0.00 0.00 0.06 0.00 -1.51 0.00 0.00 54.79 53.34 1ieh n ASP 62 Cb 0.08 -0.52 0.07 0.00 2.34 0.00 0.00 41.12 43.08 1ieh n ASP 62 CO 0.00 0.00 0.00 -1.54 0.12 0.00 0.00 177.20 175.78 1ieh n SER 63 N 0.00 2.13 0.00 1.67 3.41 -1.26 -4.48 113.62 115.09 1ieh n SER 63 Ca 0.00 -1.57 0.00 0.00 -0.26 0.00 0.00 58.87 57.04 1ieh n SER 63 Cb 0.00 -0.04 0.00 0.00 -0.26 0.00 0.00 64.21 63.91 1ieh n SER 63 CO 0.00 0.00 0.00 1.33 -0.16 0.00 0.00 175.04 176.21 1ieh n VAL 64 N 0.65 0.00 -0.12 -3.33 0.24 -1.26 -4.83 118.33 109.68 1ieh n VAL 64 Ca 0.08 -0.11 -0.11 0.00 -2.04 0.00 0.00 64.34 62.15 1ieh n VAL 64 Cb 0.31 1.67 -0.06 0.00 -1.47 0.00 0.00 33.84 34.29 1ieh n VAL 64 CO 0.00 0.00 0.00 0.50 -2.14 0.00 0.00 176.83 175.19 1ieh h LYS 65 N 0.00 -0.35 -1.04 7.34 1.63 -1.87 0.09 116.57 122.36 1ieh h LYS 65 Ca 0.00 0.02 -0.60 0.00 -0.85 0.00 0.00 60.65 59.22 1ieh h LYS 65 Cb 0.33 0.08 -0.28 0.00 -0.60 0.00 0.00 32.23 31.76 1ieh h LYS 65 CO 0.00 -0.23 0.77 0.41 -3.45 0.00 0.00 179.45 176.95 1ieh n GLY 66 N -1.41 5.32 1.14 5.01 0.00 -1.26 -4.47 105.19 109.52 1ieh n GLY 66 Ca -0.02 -1.86 0.00 0.00 0.00 0.00 0.00 46.02 44.14 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 -0.86 0.00 -3.99 1.61 3.00 -0.04 -4.89 116.66 111.49 1ieh n ARG 67 Ca 0.59 0.00 -0.22 0.00 -0.00 0.00 0.00 57.85 58.21 1ieh n ARG 67 Cb 0.92 -0.22 -0.05 0.00 0.00 0.00 0.00 32.46 33.10 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 -1.50 2.77 -0.17 -0.14 0.08 -0.84 -2.15 117.98 116.02 1ieh s PHE 68 Ca 0.00 -0.36 0.01 0.00 0.12 0.00 0.00 56.93 56.69 1ieh s PHE 68 Cb 0.00 -1.72 0.03 0.00 -0.57 0.00 0.00 43.02 40.77 1ieh s PHE 68 CO 0.00 0.27 -0.13 0.99 -0.10 0.00 0.00 175.22 176.25 1ieh s THR 69 N -2.39 1.63 -0.38 0.64 2.01 -0.70 -4.81 115.64 111.64 1ieh s THR 69 Ca 0.39 -0.82 -0.13 0.00 0.31 0.00 0.00 61.69 61.44 1ieh s THR 69 Cb -0.03 -1.61 0.02 0.00 0.01 0.00 0.00 72.50 70.89 1ieh s THR 69 CO 0.24 0.33 0.24 -0.51 -0.69 0.00 0.00 174.62 174.23 1ieh s ILE 70 N 1.44 4.91 0.14 1.82 2.07 -1.26 -1.17 121.20 129.13 1ieh s ILE 70 Ca 0.02 -0.70 -0.02 0.00 -1.41 0.00 0.00 60.65 58.54 1ieh s ILE 70 Cb -0.14 -3.71 -0.04 0.00 0.13 0.00 0.00 42.46 38.70 1ieh s ILE 70 CO -0.10 -0.23 0.09 -0.55 -1.91 0.00 0.00 174.94 172.24 1ieh s SER 71 N 1.62 0.27 0.30 4.50 0.15 -0.52 -4.84 113.70 115.18 1ieh s SER 71 Ca 0.04 -1.17 -0.09 0.00 0.70 0.00 0.00 55.95 55.43 1ieh s SER 71 Cb -0.19 0.32 0.01 0.00 -1.71 0.00 0.00 66.02 64.44 1ieh s SER 71 CO 0.08 -0.75 0.52 0.00 1.20 0.00 0.00 173.24 174.29 1ieh s ARG 72 N -4.04 1.78 0.83 5.44 1.70 -1.26 -0.92 118.95 122.47 1ieh s ARG 72 Ca 0.23 -1.47 -0.08 0.00 -0.47 0.00 0.00 55.73 53.94 1ieh s ARG 72 Cb 0.07 0.48 0.16 0.00 -0.57 0.00 0.00 34.95 35.09 1ieh s ARG 72 CO 0.02 -0.75 1.14 0.34 -1.08 0.00 0.00 175.30 174.97 1ieh s ASP 73 N -3.11 3.82 -0.33 -2.89 2.15 -1.26 -5.02 116.67 110.03 1ieh s ASP 73 Ca 0.25 -0.04 0.06 0.00 0.43 0.00 0.00 52.55 53.25 1ieh s ASP 73 Cb -0.01 -0.20 0.45 0.00 -0.30 0.00 0.00 42.92 42.86 1ieh s ASP 73 CO 0.14 -2.24 1.22 -0.46 -0.17 0.00 0.00 175.17 173.65 1ieh n ASN 74 N -3.26 5.02 0.11 -0.34 6.94 -1.26 -4.59 115.26 117.88 1ieh n ASN 74 Ca 0.15 -3.75 0.00 0.00 -0.02 0.00 0.00 54.58 50.96 1ieh n ASN 74 Cb 0.60 -0.39 0.00 0.00 -2.36 0.00 0.00 39.78 37.63 1ieh n ASN 74 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1ieh n ALA 75 N -0.68 0.00 -1.25 -2.53 0.00 -1.26 -5.05 120.51 109.74 1ieh n ALA 75 Ca 0.44 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 53.58 1ieh n ALA 75 Cb 0.91 0.00 0.12 0.00 0.00 0.00 0.00 19.45 20.48 1ieh n ALA 75 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1ieh s LYS 76 N -1.78 1.57 -0.85 0.00 1.02 -1.26 -4.73 119.74 113.71 1ieh s LYS 76 Ca 0.00 0.89 -0.16 0.00 0.02 0.00 0.00 55.97 56.72 1ieh s LYS 76 Cb 0.00 -1.84 0.18 0.00 -0.52 0.00 0.00 37.83 35.65 1ieh s LYS 76 CO 0.00 -2.04 0.91 -0.80 -0.92 0.00 0.00 175.35 172.50 1ieh s ASN 77 N -3.46 6.67 0.14 2.83 0.01 -1.26 -4.43 114.94 115.44 1ieh s ASN 77 Ca 0.63 -2.34 -0.24 0.00 -0.71 0.00 0.00 52.86 50.19 1ieh s ASN 77 Cb -0.17 -2.29 0.07 0.00 0.41 0.00 0.00 41.25 39.26 1ieh s ASN 77 CO 0.56 -0.81 0.74 0.42 -1.51 0.00 0.00 177.10 176.51 1ieh s THR 78 N 1.36 0.00 -0.03 1.60 -4.23 -1.26 -2.47 115.64 110.61 1ieh s THR 78 Ca 0.24 -0.28 -0.00 0.00 -1.18 0.00 0.00 61.69 60.46 1ieh s THR 78 Cb -0.09 -1.32 0.03 0.00 1.34 0.00 0.00 72.50 72.46 1ieh s THR 78 CO -0.08 0.00 0.02 -0.22 -0.54 0.00 0.00 174.62 173.80 1ieh s LEU 79 N -2.74 0.85 0.15 4.79 2.96 -0.74 -4.35 118.68 119.60 1ieh s LEU 79 Ca 0.05 0.01 0.09 0.00 -0.22 0.00 0.00 54.13 54.06 1ieh s LEU 79 Cb -0.02 -0.19 -0.04 0.00 0.50 0.00 0.00 46.19 46.44 1ieh s LEU 79 CO -0.06 -0.15 -0.16 -0.31 -1.32 0.00 0.00 176.35 174.35 1ieh s TYR 80 N 1.39 2.54 -0.10 5.38 1.51 -0.10 -0.46 117.35 127.51 1ieh s TYR 80 Ca -0.05 -0.26 -0.07 0.00 -1.01 0.00 0.00 57.07 55.69 1ieh s TYR 80 Cb -0.13 -1.30 0.04 0.00 -0.11 0.00 0.00 41.96 40.46 1ieh s TYR 80 CO -0.03 0.45 0.25 -1.17 -1.11 0.00 0.00 175.55 173.94 1ieh s LEU 81 N -2.48 0.65 -0.27 -1.29 2.96 -0.57 -1.44 118.68 116.25 1ieh s LEU 81 Ca 0.21 0.52 -0.09 0.00 -0.22 0.00 0.00 54.13 54.55 1ieh s LEU 81 Cb -0.10 0.79 -0.03 0.00 0.50 0.00 0.00 46.19 47.36 1ieh s LEU 81 CO 0.12 -0.13 0.11 -1.10 -1.32 0.00 0.00 176.35 174.03 1ieh s GLN 82 N 0.82 3.65 -0.68 1.98 -1.52 -0.32 -1.89 119.66 121.71 1ieh s GLN 82 Ca -0.06 -0.50 -0.24 0.00 -1.95 0.00 0.00 55.36 52.61 1ieh s GLN 82 Cb -0.07 -3.44 0.05 0.00 -0.22 0.00 0.00 33.01 29.33 1ieh s GLN 82 CO -0.05 -0.23 1.08 -1.64 -0.25 0.00 0.00 175.29 174.19 1ieh s MET 83 N 1.64 3.17 0.32 2.91 -1.94 0.42 -1.72 119.30 124.10 1ieh s MET 83 Ca 0.06 -0.55 0.09 0.00 -1.71 0.00 0.00 55.69 53.59 1ieh s MET 83 Cb -0.16 -4.19 -0.05 0.00 2.01 0.00 0.00 34.83 32.44 1ieh s MET 83 CO 0.06 -1.90 -0.00 -0.80 -0.01 0.00 0.00 175.02 172.36 1ieh s ASN 84 N 3.61 4.23 -1.46 3.03 -0.87 -0.91 -2.00 114.94 120.57 1ieh s ASN 84 Ca 0.28 -0.91 -0.10 0.00 -1.57 0.00 0.00 52.86 50.56 1ieh s ASN 84 Cb -0.13 -0.59 0.05 0.00 -0.02 0.00 0.00 41.25 40.56 1ieh s ASN 84 CO 0.13 -0.17 0.85 -1.20 -2.57 0.00 0.00 177.10 174.15 1ieh n SER 85 N -0.92 -5.32 -4.76 -1.22 7.64 -1.26 -4.51 113.62 103.26 1ieh n SER 85 Ca -0.05 -0.54 -0.39 0.00 1.01 0.00 0.00 58.87 58.90 1ieh n SER 85 Cb 0.61 -4.26 0.02 0.00 -1.01 0.00 0.00 64.21 59.57 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 -7.01 4.07 0.19 -3.43 1.02 -1.26 -4.89 118.68 107.37 1ieh s LEU 86 Ca 0.52 2.84 0.00 0.00 0.02 0.00 0.00 54.13 57.51 1ieh s LEU 86 Cb -0.25 -4.00 0.00 0.00 0.02 0.00 0.00 46.19 41.96 1ieh s LEU 86 CO 0.64 -1.21 0.00 2.29 0.02 0.00 0.00 176.35 178.09 1ieh n LYS 87 N -0.32 0.00 0.00 1.70 2.85 -1.26 -2.56 118.16 118.57 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 0.43 -0.12 0.00 0.00 -0.65 0.00 0.00 35.03 34.69 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 -3.29 0.00 -0.02 -5.58 2.88 -1.26 -4.81 113.62 101.54 1ieh n SER 88 Ca 0.00 0.00 -0.16 0.00 -1.33 0.00 0.00 58.87 57.38 1ieh n SER 88 Cb 0.03 0.00 -0.06 0.00 -0.75 0.00 0.00 64.21 63.43 1ieh n SER 88 CO 0.00 0.00 0.00 -0.08 -1.23 0.00 0.00 175.04 173.73 1ieh h GLU 89 N 0.00 0.76 -0.88 -1.46 4.81 -1.97 -3.10 114.58 112.74 1ieh h GLU 89 Ca 0.00 -0.62 0.25 0.00 -0.13 0.00 0.00 59.36 58.87 1ieh h GLU 89 Cb 0.00 0.13 -0.04 0.00 0.63 0.00 0.00 28.75 29.47 1ieh h GLU 89 CO 0.00 1.23 0.63 -0.44 -0.73 0.00 0.00 179.01 179.70 1ieh h ASP 90 N 0.52 0.00 -0.46 1.04 5.19 -1.96 -3.37 116.42 117.39 1ieh h ASP 90 Ca -0.05 0.00 -0.05 0.00 -0.62 0.00 0.00 57.03 56.31 1ieh h ASP 90 Cb 1.39 0.00 -0.00 0.00 0.18 0.00 0.00 39.33 40.90 1ieh h ASP 90 CO 0.16 0.00 0.16 -0.89 -3.12 0.00 0.00 179.24 175.55 1ieh s THR 91 N -4.97 3.03 0.01 0.35 2.01 -1.17 -4.67 115.64 110.23 1ieh s THR 91 Ca -0.05 -0.02 -0.03 0.00 0.31 0.00 0.00 61.69 61.90 1ieh s THR 91 Cb 0.21 -3.07 0.01 0.00 0.01 0.00 0.00 72.50 69.66 1ieh s THR 91 CO 0.77 -0.07 0.12 0.00 -0.69 0.00 0.00 174.62 174.75 1ieh n ALA 92 N 18.28 -0.34 -2.78 7.40 0.00 0.54 -4.50 120.51 139.11 1ieh n ALA 92 Ca 0.46 -0.10 -0.31 0.00 0.00 0.00 0.00 53.44 53.48 1ieh n ALA 92 Cb 0.44 0.04 -0.04 0.00 0.00 0.00 0.00 19.45 19.89 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 -2.34 5.27 -0.11 0.00 1.01 -0.82 -0.77 120.40 122.65 1ieh s VAL 93 Ca 0.03 -0.14 0.02 0.00 0.00 0.00 0.00 61.98 61.89 1ieh s VAL 93 Cb -0.00 -3.62 0.01 0.00 0.00 0.00 0.00 36.38 32.77 1ieh s VAL 93 CO 0.00 0.10 -0.17 -0.31 0.00 0.00 0.00 175.10 174.72 1ieh s TYR 94 N -1.58 2.10 0.38 5.22 1.51 -0.56 -0.27 117.35 124.16 1ieh s TYR 94 Ca 0.38 -0.97 0.08 0.00 -1.01 0.00 0.00 57.07 55.55 1ieh s TYR 94 Cb -0.13 -1.48 -0.03 0.00 -0.11 0.00 0.00 41.96 40.22 1ieh s TYR 94 CO 0.26 -0.47 0.32 0.71 -1.11 0.00 0.00 175.55 175.25 1ieh s TYR 95 N 0.84 2.77 -0.01 2.71 2.02 0.67 -2.17 117.35 124.18 1ieh s TYR 95 Ca -0.09 -0.42 0.01 0.00 -0.37 0.00 0.00 57.07 56.20 1ieh s TYR 95 Cb -0.15 -1.98 0.00 0.00 -0.40 0.00 0.00 41.96 39.42 1ieh s TYR 95 CO 0.00 0.04 -0.03 0.00 -1.57 0.00 0.00 175.55 174.00 1ieh s ALA 97 N 0.10 -1.60 0.04 0.00 0.00 -1.00 -1.65 121.76 117.64 1ieh s ALA 97 Ca -0.01 0.32 -0.13 0.00 0.00 0.00 0.00 51.96 52.15 1ieh s ALA 97 Cb -0.03 0.66 -0.06 0.00 0.00 0.00 0.00 23.12 23.69 1ieh s ALA 97 CO -0.00 -0.91 0.41 0.21 0.00 0.00 0.00 175.76 175.46 1ieh s LYS 98 N -3.44 3.85 -0.05 0.00 2.20 -1.26 -0.86 119.74 120.18 1ieh s LYS 98 Ca 0.08 0.32 -0.25 0.00 -0.36 0.00 0.00 55.97 55.76 1ieh s LYS 98 Cb -0.02 -3.12 -0.03 0.00 -1.51 0.00 0.00 37.83 33.15 1ieh s LYS 98 CO -0.02 0.63 0.77 -0.47 -0.36 0.00 0.00 175.35 175.90 1ieh s TYR 99 N -1.22 3.59 -0.28 4.03 5.04 0.99 -4.40 117.35 125.09 1ieh s TYR 99 Ca 0.28 1.36 -0.17 0.00 -2.44 0.00 0.00 57.07 56.10 1ieh s TYR 99 Cb -0.15 -2.89 0.09 0.00 0.35 0.00 0.00 41.96 39.36 1ieh s TYR 99 CO 0.15 0.05 0.76 -1.12 -1.34 0.00 0.00 175.55 174.05 1ieh s SER 100 N 0.86 -0.84 0.00 4.32 0.01 -1.25 -4.64 113.70 112.16 1ieh s SER 100 Ca 0.41 1.36 0.00 0.00 1.31 0.00 0.00 55.95 59.03 1ieh s SER 100 Cb -0.18 1.35 0.00 0.00 0.21 0.00 0.00 66.02 67.39 1ieh s SER 100 CO 0.20 -0.22 0.00 0.61 0.41 0.00 0.00 173.24 174.25 1ieh n GLY 101 N 4.05 2.46 0.00 3.44 0.00 -1.26 -3.33 105.19 110.55 1ieh n GLY 101 Ca -0.19 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.83 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 -2.00 1.01 3.16 -0.02 0.00 -1.26 -5.08 105.19 101.00 1ieh n GLY 102 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.89 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 -2.00 -0.71 0.56 4.61 0.00 -1.21 -5.16 121.76 117.85 1ieh s ALA 103 Ca 0.00 0.88 -0.14 0.00 0.00 0.00 0.00 51.96 52.69 1ieh s ALA 103 Cb 0.00 -0.52 -0.06 0.00 0.00 0.00 0.00 23.12 22.54 1ieh s ALA 103 CO 0.00 -0.15 1.01 -1.17 0.00 0.00 0.00 175.76 175.45 1ieh s LEU 104 N 0.38 3.47 -0.10 0.00 2.96 -1.26 -3.87 118.68 120.26 1ieh s LEU 104 Ca -0.02 1.54 0.05 0.00 -0.22 0.00 0.00 54.13 55.48 1ieh s LEU 104 Cb -0.04 -4.50 -0.10 0.00 0.50 0.00 0.00 46.19 42.06 1ieh s LEU 104 CO -0.02 -0.76 -0.03 0.47 -1.32 0.00 0.00 176.35 174.70 1ieh n ASP 105 N -2.06 2.89 -2.21 3.68 9.92 -1.26 -5.06 116.55 122.46 1ieh n ASP 105 Ca 0.07 -0.03 -0.03 0.00 -0.53 0.00 0.00 54.79 54.27 1ieh n ASP 105 Cb 0.54 0.34 -0.02 0.00 -0.64 0.00 0.00 41.12 41.34 1ieh n ASP 105 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1ieh n ALA 106 N -2.55 -3.41 0.19 2.24 0.00 -1.26 -4.99 120.51 110.73 1ieh n ALA 106 Ca -0.17 1.15 0.04 0.00 0.00 0.00 0.00 53.44 54.46 1ieh n ALA 106 Cb 0.77 -2.26 0.05 0.00 0.00 0.00 0.00 19.45 18.01 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 0.87 0.08 -1.48 0.00 8.01 -0.90 -4.95 117.44 119.07 1ieh n TRP 107 Ca -0.18 -0.14 -0.35 0.00 -1.31 0.00 0.00 57.50 55.52 1ieh n TRP 107 Cb 0.28 -0.01 0.09 0.00 -2.01 0.00 0.00 31.31 29.67 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 -0.73 2.48 0.45 6.99 0.00 -0.66 -3.58 107.32 112.27 1ieh s GLY 108 Ca 0.11 0.98 0.19 0.00 0.00 0.00 0.00 44.72 45.99 1ieh s GLY 108 CO 0.10 1.40 1.96 -1.61 0.00 0.00 0.00 173.10 174.94 1ieh h GLN 109 N -0.13 0.00 -0.64 2.90 -0.00 -1.70 -3.44 115.11 112.09 1ieh h GLN 109 Ca -0.48 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.17 1ieh h GLN 109 Cb 1.31 0.00 0.00 0.00 0.00 0.00 0.00 27.48 28.79 1ieh h GLN 109 CO 0.50 0.22 0.00 0.41 0.00 0.00 0.00 178.83 179.96 1ieh n GLY 110 N -0.68 -0.38 3.70 2.39 0.00 -1.24 -4.87 105.19 104.11 1ieh n GLY 110 Ca -0.02 -0.88 -0.35 0.00 0.00 0.00 0.00 46.02 44.77 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 4.94 -0.52 2.61 -1.32 -0.92 -4.85 115.64 115.58 1ieh s THR 111 Ca 0.00 0.01 -0.25 0.00 -1.21 0.00 0.00 61.69 60.24 1ieh s THR 111 Cb 0.00 -3.19 0.03 0.00 -1.51 0.00 0.00 72.50 67.83 1ieh s THR 111 CO 0.00 0.51 0.98 -1.58 -2.21 0.00 0.00 174.62 172.32 1ieh s GLN 112 N -0.10 3.43 -0.08 7.08 2.00 -1.26 -1.50 119.66 129.24 1ieh s GLN 112 Ca 0.08 -0.02 0.01 0.00 -2.00 0.00 0.00 55.36 53.43 1ieh s GLN 112 Cb -0.12 -4.00 -0.03 0.00 0.80 0.00 0.00 33.01 29.66 1ieh s GLN 112 CO 0.01 -1.43 -0.11 0.08 -0.50 0.00 0.00 175.29 173.35 1ieh s VAL 113 N 4.05 3.36 0.03 1.34 1.01 0.05 -3.89 120.40 126.37 1ieh s VAL 113 Ca 0.35 -0.59 -0.04 0.00 0.00 0.00 0.00 61.98 61.70 1ieh s VAL 113 Cb -0.11 -2.37 -0.02 0.00 0.00 0.00 0.00 36.38 33.89 1ieh s VAL 113 CO 0.23 0.58 0.05 -0.89 0.00 0.00 0.00 175.10 175.06 1ieh s THR 114 N -0.52 0.14 -0.13 3.92 2.01 -1.01 -0.34 115.64 119.71 1ieh s THR 114 Ca 0.07 -1.15 0.01 0.00 0.31 0.00 0.00 61.69 60.93 1ieh s THR 114 Cb -0.12 -0.82 0.02 0.00 0.01 0.00 0.00 72.50 71.59 1ieh s THR 114 CO 0.02 -0.63 -0.13 -0.69 -0.69 0.00 0.00 174.62 172.49 1ieh s VAL 115 N -2.49 1.45 0.00 3.82 1.01 -1.26 -2.15 120.40 120.79 1ieh s VAL 115 Ca -0.06 -0.58 0.00 0.00 0.00 0.00 0.00 61.98 61.34 1ieh s VAL 115 Cb -0.02 -1.37 0.00 0.00 0.00 0.00 0.00 36.38 34.99 1ieh s VAL 115 CO -0.04 0.44 0.00 -0.24 0.00 0.00 0.00 175.10 175.25 1ieh n SER 116 N 4.60 0.00 0.00 3.32 2.88 -0.02 -4.93 113.62 119.47 1ieh n SER 116 Ca -0.17 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.37 1ieh n SER 116 Cb 0.50 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.96 1ieh n SER 116 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1ieh n SER 117 N 0.00 0.00 -3.67 -3.46 2.88 -1.26 -4.02 113.62 104.10 1ieh n SER 117 Ca 0.00 0.00 -0.04 0.00 -1.33 0.00 0.00 58.87 57.50 1ieh n SER 117 Cb 0.00 -0.58 -0.01 0.00 -0.75 0.00 0.00 64.21 62.86 1ieh n SER 117 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1ieh s GLN 118 N 0.00 0.97 0.72 -1.46 -2.07 -1.26 -5.07 119.66 111.49 1ieh s GLN 118 Ca 0.00 -0.49 -0.14 0.00 -1.82 0.00 0.00 55.36 52.91 1ieh s GLN 118 Cb 0.00 0.36 0.03 0.00 -1.09 0.00 0.00 33.01 32.32 1ieh s GLN 118 CO 0.00 -0.44 1.14 0.45 -1.32 0.00 0.00 175.29 175.12 1ieh s SER 119 N -2.79 4.51 -0.69 12.60 0.15 -1.26 -4.95 113.70 121.27 1ieh s SER 119 Ca 0.10 2.12 -0.20 0.00 0.70 0.00 0.00 55.95 58.67 1ieh s SER 119 Cb -0.01 -2.56 0.10 0.00 -1.71 0.00 0.00 66.02 61.84 1ieh s SER 119 CO -0.02 -2.04 0.88 -1.83 1.20 0.00 0.00 173.24 171.43 1ieh s GLU 120 N -4.18 3.19 0.38 5.44 -1.05 -1.26 -5.00 118.70 116.22 1ieh s GLU 120 Ca 0.69 -1.27 0.05 0.00 -0.15 0.00 0.00 54.97 54.28 1ieh s GLU 120 Cb -0.23 -4.37 0.05 0.00 -0.44 0.00 0.00 34.13 29.13 1ieh s GLU 120 CO 0.46 -1.67 0.38 0.94 0.95 0.00 0.00 175.26 176.32 1ieh n GLN 121 N 6.77 0.86 -1.38 -4.83 7.27 -1.26 -5.01 117.38 119.80 1ieh n GLN 121 Ca -0.01 -2.27 -0.25 0.00 0.07 0.00 0.00 57.00 54.55 1ieh n GLN 121 Cb 0.45 0.10 -0.05 0.00 2.41 0.00 0.00 30.24 33.14 1ieh n GLN 121 CO 0.00 0.00 0.00 1.17 0.07 0.00 0.00 177.06 178.30 1ieh n LYS 122 N -1.56 2.30 -1.77 3.69 3.00 -1.26 -4.98 118.16 117.58 1ieh n LYS 122 Ca 0.03 -2.17 -0.41 0.00 -0.00 0.00 0.00 58.31 55.76 1ieh n LYS 122 Cb 0.42 -2.06 0.00 0.00 0.00 0.00 0.00 35.03 33.39 1ieh n LYS 122 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.40 178.68 1ieh n LEU 123 N 0.88 4.80 0.00 3.14 4.32 -1.26 -4.87 117.00 124.01 1ieh n LEU 123 Ca 0.46 1.21 0.02 0.00 -0.02 0.00 0.00 56.01 57.67 1ieh n LEU 123 Cb 0.58 -1.61 0.09 0.00 -1.62 0.00 0.00 43.42 40.86 1ieh n LEU 123 CO 0.33 0.08 0.54 2.30 -1.22 0.00 0.00 177.39 179.42 1ieh n ILE 124 N 0.30 0.00 -2.06 -0.08 -5.35 -1.26 -5.00 119.36 105.91 1ieh n ILE 124 Ca 0.02 0.00 0.14 0.00 -0.27 0.00 0.00 62.75 62.64 1ieh n ILE 124 Cb 0.39 -0.07 -0.03 0.00 -1.74 0.00 0.00 39.64 38.19 1ieh n ILE 124 CO 0.00 0.00 0.00 -1.54 -1.76 0.00 0.00 176.55 173.25 1ieh n SER 125 N -0.55 -7.19 0.00 7.28 3.41 -1.26 -4.69 113.62 110.61 1ieh n SER 125 Ca 0.02 1.07 0.00 0.00 -0.26 0.00 0.00 58.87 59.70 1ieh n SER 125 Cb 0.01 -3.05 0.00 0.00 -0.26 0.00 0.00 64.21 60.91 1ieh n SER 125 CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 175.04 176.09 1ieh n GLU 126 N -3.38 0.00 -4.71 4.33 4.07 -1.26 -4.34 120.64 115.35 1ieh n GLU 126 Ca 0.01 0.00 -0.33 0.00 -0.06 0.00 0.00 57.16 56.78 1ieh n GLU 126 Cb 0.45 0.00 -0.15 0.00 -0.06 0.00 0.00 31.44 31.69 1ieh n GLU 126 CO 0.00 0.00 0.00 -2.00 -0.06 0.00 0.00 177.13 175.07 1ieh s GLU 127 N 0.00 3.30 -0.21 5.31 2.56 -1.26 -5.00 118.70 123.40 1ieh s GLU 127 Ca 0.00 -0.72 0.12 0.00 0.00 0.00 0.00 54.97 54.37 1ieh s GLU 127 Cb 0.00 -2.61 0.43 0.00 2.00 0.00 0.00 34.13 33.96 1ieh s GLU 127 CO 0.00 0.13 1.20 -0.40 -0.56 0.00 0.00 175.26 175.64 1ieh n ASP 128 N 3.74 2.46 -0.57 -1.70 5.68 -1.26 -4.81 116.55 120.07 1ieh n ASP 128 Ca -0.18 -3.62 0.00 0.00 -0.50 0.00 0.00 54.79 50.48 1ieh n ASP 128 Cb 0.52 -0.46 0.00 0.00 -1.14 0.00 0.00 41.12 40.04 1ieh n ASP 128 CO 0.00 0.00 0.00 0.18 -1.33 0.00 0.00 177.20 176.05 1ieh n LEU 129 N -0.85 0.00 0.00 -2.12 4.77 -1.26 -5.10 117.00 112.44 1ieh n LEU 129 Ca 0.24 0.00 -0.08 0.00 -0.03 0.00 0.00 56.01 56.14 1ieh n LEU 129 Cb 0.81 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.90 1ieh n LEU 129 CO 0.08 0.00 0.04 0.59 -1.33 0.00 0.00 177.39 176.77 1ieh n ASN 130 N -1.12 1.36 -4.63 -1.43 5.03 -1.26 -5.10 115.26 108.11 1ieh n ASN 130 Ca 0.00 -1.58 -0.39 0.00 0.87 0.00 0.00 54.58 53.48 1ieh n ASN 130 Cb 0.00 -0.04 -0.08 0.00 -1.02 0.00 0.00 39.78 38.64 1ieh n ASN 130 CO 0.00 0.00 0.00 -1.38 -1.83 0.00 0.00 177.26 174.05 1ieh s HIS 131 N -0.71 3.30 -0.15 3.10 -3.43 -1.26 -5.05 115.29 111.10 1ieh s HIS 131 Ca 0.12 0.58 -0.11 0.00 -0.80 0.00 0.00 55.06 54.85 1ieh s HIS 131 Cb -0.01 -2.62 0.05 0.00 -1.43 0.00 0.00 32.58 28.57 1ieh s HIS 131 CO 0.07 -0.17 0.37 -1.01 -2.00 0.00 0.00 174.74 172.01 1ieh s HIS 132 N 1.89 -0.47 0.29 0.38 3.76 -1.26 -5.13 115.29 114.75 1ieh s HIS 132 Ca 0.19 1.08 0.00 0.00 -0.15 0.00 0.00 55.06 56.18 1ieh s HIS 132 Cb -0.15 0.17 0.00 0.00 1.11 0.00 0.00 32.58 33.71 1ieh s HIS 132 CO 0.09 -0.25 0.00 1.58 -0.85 0.00 0.00 174.74 175.31 1ieh n HIS 133 N 3.52 -3.42 -2.90 1.40 -0.00 -1.26 -4.98 115.22 107.57 1ieh n HIS 133 Ca -0.18 1.55 -0.07 0.00 0.46 0.00 0.00 57.72 59.48 1ieh n HIS 133 Cb 0.56 -2.83 0.01 0.00 -0.12 0.00 0.00 29.99 27.60 1ieh n HIS 133 CO 0.00 0.00 0.00 1.58 0.46 0.00 0.00 176.34 178.38 1ieh n HIS 134 N -3.92 -3.20 1.19 1.57 -0.00 -1.26 -5.27 115.22 104.33 1ieh n HIS 134 Ca 0.01 1.36 0.10 0.00 -0.00 0.00 0.00 57.72 59.19 1ieh n HIS 134 Cb 0.57 -3.44 0.57 0.00 -0.00 0.00 0.00 29.99 27.69 1ieh n HIS 134 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92