#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qie s LYS 2 N 0.00 3.81 0.25 2.12 1.02 -1.26 -4.98 119.74 120.70 2qie s LYS 2 Ca 0.00 0.49 -0.04 0.00 0.02 0.00 0.00 55.97 56.44 2qie s LYS 2 Cb 0.00 -2.40 0.39 0.00 -0.52 0.00 0.00 37.83 35.30 2qie s LYS 2 CO 0.00 -0.00 1.84 0.37 -0.92 0.00 0.00 175.35 176.64 2qie h GLN 3 N 1.41 0.94 -4.11 1.68 4.15 -1.95 -3.41 115.11 113.83 2qie h GLN 3 Ca -0.47 -0.06 -0.50 0.00 0.77 0.00 0.00 58.65 58.39 2qie h GLN 3 Cb 1.19 -0.21 -0.37 0.00 0.21 0.00 0.00 27.48 28.30 2qie h GLN 3 CO 0.64 0.62 -0.79 -0.06 -1.93 0.00 0.00 178.83 177.31 2qie s PHE 4 N -6.04 1.25 -0.08 3.99 0.40 -1.25 -1.54 117.98 114.71 2qie s PHE 4 Ca -0.12 -0.56 -0.17 0.00 -0.60 0.00 0.00 56.93 55.48 2qie s PHE 4 Cb 0.19 -1.09 0.04 0.00 0.51 0.00 0.00 43.02 42.67 2qie s PHE 4 CO 0.79 -0.44 0.40 -2.00 0.70 0.00 0.00 175.22 174.68 2qie s GLU 5 N 1.67 0.63 -0.18 0.44 2.12 -0.78 -4.97 118.70 117.63 2qie s GLU 5 Ca 0.03 0.21 -0.04 0.00 0.36 0.00 0.00 54.97 55.53 2qie s GLU 5 Cb -0.13 0.29 -0.02 0.00 0.26 0.00 0.00 34.13 34.53 2qie s GLU 5 CO -0.06 -0.14 -0.03 0.42 -0.54 0.00 0.00 175.26 174.91 2qie s ILE 6 N -0.61 3.84 0.23 -3.70 -1.09 -1.26 -1.47 121.20 117.14 2qie s ILE 6 Ca -0.07 -0.36 0.08 0.00 -2.23 0.00 0.00 60.65 58.06 2qie s ILE 6 Cb -0.04 -2.71 -0.05 0.00 -1.58 0.00 0.00 42.46 38.09 2qie s ILE 6 CO 0.03 0.46 -0.12 0.68 -1.23 0.00 0.00 174.94 174.76 2qie s VAL 7 N 0.74 1.74 -0.07 2.92 -7.23 -0.15 -4.98 120.40 113.37 2qie s VAL 7 Ca -0.01 -2.20 0.14 0.00 -1.81 0.00 0.00 61.98 58.11 2qie s VAL 7 Cb -0.14 -2.19 -0.22 0.00 0.56 0.00 0.00 36.38 34.39 2qie s VAL 7 CO 0.02 -0.49 0.34 2.30 -0.31 0.00 0.00 175.10 176.96 2qie n ILE 8 N -0.46 0.00 -2.70 -0.62 -5.35 -1.26 -1.22 119.36 107.75 2qie n ILE 8 Ca -0.07 -0.32 -0.31 0.00 -0.27 0.00 0.00 62.75 61.78 2qie n ILE 8 Cb 0.61 0.24 -0.03 0.00 -1.74 0.00 0.00 39.64 38.72 2qie n ILE 8 CO 0.00 0.00 0.00 -1.61 -1.76 0.00 0.00 176.55 173.18 2qie s GLU 9 N -2.95 3.85 0.26 6.28 2.02 -1.26 -4.83 118.70 122.07 2qie s GLU 9 Ca -0.04 0.65 -0.30 0.00 0.02 0.00 0.00 54.97 55.30 2qie s GLU 9 Cb 0.09 -2.30 -0.14 0.00 0.10 0.00 0.00 34.13 31.89 2qie s GLU 9 CO 0.60 -0.11 1.30 -2.30 0.02 0.00 0.00 175.26 174.76 2qie n PRO 10 N -1.36 1.84 -2.27 0.39 -0.02 -1.26 -4.86 135.00 127.46 2qie n PRO 10 Ca 0.04 0.65 -0.43 0.00 -2.02 0.00 0.00 63.50 61.74 2qie n PRO 10 Cb 0.54 -2.23 -0.02 0.00 -0.02 0.00 0.00 33.50 31.76 2qie n PRO 10 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 2qie s ILE 11 N -0.41 3.96 -0.35 4.25 1.01 -1.26 -4.99 121.20 123.41 2qie s ILE 11 Ca 0.65 1.11 -0.29 0.00 0.00 0.00 0.00 60.65 62.12 2qie s ILE 11 Cb -0.67 -3.89 0.01 0.00 0.01 0.00 0.00 42.46 37.93 2qie s ILE 11 CO 0.54 -0.29 1.19 -1.10 0.00 0.00 0.00 174.94 175.28 2qie s GLN 12 N 4.17 3.91 -0.09 2.79 -1.52 -1.26 -4.95 119.66 122.71 2qie s GLN 12 Ca 0.63 1.03 -0.19 0.00 -1.95 0.00 0.00 55.36 54.87 2qie s GLN 12 Cb -0.22 -3.84 -0.28 0.00 -0.22 0.00 0.00 33.01 28.44 2qie s GLN 12 CO 0.24 -1.12 0.68 1.79 -0.25 0.00 0.00 175.29 176.63 2qie h THR 13 N 5.96 1.26 0.00 -0.19 1.35 -2.04 -3.39 112.91 115.86 2qie h THR 13 Ca -0.23 -2.44 -0.07 0.00 -0.55 0.00 0.00 66.41 63.12 2qie h THR 13 Cb 1.08 2.92 -0.01 0.00 -1.73 0.00 0.00 68.15 70.40 2qie h THR 13 CO 1.06 0.68 -0.35 -0.33 -0.25 0.00 0.00 175.52 176.32 2qie h GLU 14 N -0.43 0.00 -0.09 4.72 4.39 -2.03 -2.61 114.58 118.54 2qie h GLU 14 Ca -0.22 0.00 0.03 0.00 0.34 0.00 0.00 59.36 59.50 2qie h GLU 14 Cb 1.63 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 30.28 2qie h GLU 14 CO 0.07 0.35 0.10 -0.56 -1.16 0.00 0.00 179.01 177.81 2qie h GLN 15 N 0.00 0.00 -0.13 2.33 3.07 -2.01 -2.39 115.11 115.98 2qie h GLN 15 Ca -0.00 0.00 -0.16 0.00 0.09 0.00 0.00 58.65 58.57 2qie h GLN 15 Cb 0.69 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 28.24 2qie h GLN 15 CO 0.05 0.00 -0.61 1.88 0.09 0.00 0.00 178.83 180.24 2qie h TYR 16 N 0.00 0.59 0.12 0.06 -1.99 -1.71 -2.03 116.97 112.01 2qie h TYR 16 Ca 0.04 -0.22 -0.01 0.00 2.00 0.00 0.00 58.73 60.54 2qie h TYR 16 Cb 0.24 -0.10 0.00 0.00 2.00 0.00 0.00 36.73 38.86 2qie h TYR 16 CO 0.00 0.95 -0.06 -0.09 -0.00 0.00 0.00 178.16 178.96 2qie h ARG 17 N 0.34 -0.16 -0.68 4.88 2.43 -1.58 -3.09 114.38 116.53 2qie h ARG 17 Ca -0.01 0.01 0.09 0.00 -0.81 0.00 0.00 59.98 59.26 2qie h ARG 17 Cb 1.15 0.04 -0.07 0.00 -0.42 0.00 0.00 29.97 30.67 2qie h ARG 17 CO 0.11 -0.09 0.34 0.93 -1.51 0.00 0.00 179.97 179.75 2qie h GLU 18 N -0.18 0.57 -0.85 0.20 4.39 -1.43 -1.62 114.58 115.65 2qie h GLU 18 Ca -0.02 -0.03 0.12 0.00 0.34 0.00 0.00 59.36 59.77 2qie h GLU 18 Cb 0.14 -0.13 -0.08 0.00 -0.10 0.00 0.00 28.75 28.58 2qie h GLU 18 CO 0.03 0.38 0.47 0.35 -1.16 0.00 0.00 179.01 179.08 2qie h PHE 19 N 0.59 0.85 0.00 4.33 3.57 -1.32 -2.59 116.94 122.36 2qie h PHE 19 Ca 0.33 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.86 2qie h PHE 19 Cb 0.33 -0.25 0.00 0.00 2.79 0.00 0.00 35.95 38.82 2qie h PHE 19 CO -0.11 0.28 -0.07 0.25 -2.23 0.00 0.00 178.31 176.44 2qie n THR 20 N -4.79 0.33 -3.05 4.41 -2.24 -0.64 -4.88 114.28 103.43 2qie n THR 20 Ca 0.16 -0.17 -0.37 0.00 -2.27 0.00 0.00 64.05 61.39 2qie n THR 20 Cb 0.36 -0.49 -0.06 0.00 -2.10 0.00 0.00 70.33 68.04 2qie n THR 20 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 2qie s ILE 21 N -3.06 4.48 0.38 2.28 1.01 -0.98 -4.64 121.20 120.67 2qie s ILE 21 Ca 0.12 1.46 -0.13 0.00 0.00 0.00 0.00 60.65 62.10 2qie s ILE 21 Cb 0.15 -3.97 0.05 0.00 0.01 0.00 0.00 42.46 38.70 2qie s ILE 21 CO 0.59 0.34 0.73 0.54 0.00 0.00 0.00 174.94 177.14 2qie s ASN 22 N -1.43 0.19 0.49 3.58 2.20 -1.26 -5.02 114.94 113.68 2qie s ASN 22 Ca 0.40 -1.22 0.33 0.00 -0.94 0.00 0.00 52.86 51.43 2qie s ASN 22 Cb -0.19 0.82 1.55 0.00 -2.00 0.00 0.00 41.25 41.43 2qie s ASN 22 CO 0.23 -1.63 1.99 -0.33 -2.94 0.00 0.00 177.10 174.42 2qie h GLU 23 N 2.02 0.00 0.00 3.55 3.07 -2.04 -2.24 114.58 118.94 2qie h GLU 23 Ca -0.32 0.00 -0.02 0.00 -0.50 0.00 0.00 59.36 58.52 2qie h GLU 23 Cb 1.25 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 29.15 2qie h GLU 23 CO 0.40 0.00 -0.58 1.88 -1.40 0.00 0.00 179.01 179.31 2qie h TYR 24 N 0.00 0.00 -3.34 4.33 -1.99 -1.98 -3.46 116.97 110.54 2qie h TYR 24 Ca 0.00 0.00 -0.57 0.00 2.00 0.00 0.00 58.73 60.16 2qie h TYR 24 Cb 0.28 0.00 -0.06 0.00 2.00 0.00 0.00 36.73 38.95 2qie h TYR 24 CO 0.00 0.09 0.01 -0.65 -0.00 0.00 0.00 178.16 177.61 2qie s GLN 25 N -3.23 4.37 0.00 4.88 -1.52 -0.84 -4.04 119.66 119.29 2qie s GLN 25 Ca 0.03 0.75 0.08 0.00 -1.95 0.00 0.00 55.36 54.27 2qie s GLN 25 Cb 0.07 -3.40 -0.03 0.00 -0.22 0.00 0.00 33.01 29.43 2qie s GLN 25 CO 0.74 0.21 0.49 0.41 -0.25 0.00 0.00 175.29 176.90 2qie n GLY 26 N 2.84 -0.03 2.92 3.09 0.00 -0.29 -4.78 105.19 108.93 2qie n GLY 26 Ca -0.05 -0.24 -0.16 0.00 0.00 0.00 0.00 46.02 45.58 2qie n GLY 26 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qie s ALA 27 N -1.40 0.36 -0.03 4.61 0.00 -0.35 -4.93 121.76 120.01 2qie s ALA 27 Ca 0.06 -0.11 0.02 0.00 0.00 0.00 0.00 51.96 51.93 2qie s ALA 27 Cb 0.07 -0.15 0.01 0.00 0.00 0.00 0.00 23.12 23.05 2qie s ALA 27 CO 0.25 0.05 -0.09 0.08 0.00 0.00 0.00 175.76 176.06 2qie s VAL 28 N 0.15 0.80 -0.14 0.00 1.01 -1.26 -0.98 120.40 119.97 2qie s VAL 28 Ca -0.01 -0.34 0.01 0.00 0.00 0.00 0.00 61.98 61.64 2qie s VAL 28 Cb -0.04 -0.72 0.00 0.00 0.00 0.00 0.00 36.38 35.61 2qie s VAL 28 CO -0.00 0.26 -0.18 -0.69 0.00 0.00 0.00 175.10 174.48 2qie s VAL 29 N 0.35 2.39 -0.11 2.92 1.01 -0.50 -5.00 120.40 121.47 2qie s VAL 29 Ca -0.06 -0.87 0.01 0.00 0.00 0.00 0.00 61.98 61.07 2qie s VAL 29 Cb -0.10 -1.98 -0.01 0.00 0.00 0.00 0.00 36.38 34.28 2qie s VAL 29 CO 0.01 0.53 -0.15 -0.69 0.00 0.00 0.00 175.10 174.80 2qie s VAL 30 N 0.77 2.88 -0.09 2.92 1.01 -1.26 -1.53 120.40 125.09 2qie s VAL 30 Ca -0.07 -0.74 0.03 0.00 0.00 0.00 0.00 61.98 61.20 2qie s VAL 30 Cb -0.16 -2.17 -0.02 0.00 0.00 0.00 0.00 36.38 34.03 2qie s VAL 30 CO -0.00 0.54 -0.17 0.12 0.00 0.00 0.00 175.10 175.59 2qie s PHE 31 N 0.14 2.67 -0.11 5.22 5.36 0.22 -4.99 117.98 126.49 2qie s PHE 31 Ca -0.08 -0.56 0.02 0.00 -0.96 0.00 0.00 56.93 55.35 2qie s PHE 31 Cb -0.15 -1.72 0.01 0.00 -0.34 0.00 0.00 43.02 40.82 2qie s PHE 31 CO 0.05 -0.12 -0.18 0.95 -1.46 0.00 0.00 175.22 174.46 2qie s THR 32 N -0.07 1.65 -0.24 0.12 -4.23 -1.26 -1.51 115.64 110.10 2qie s THR 32 Ca -0.04 -0.75 -0.17 0.00 -1.18 0.00 0.00 61.69 59.55 2qie s THR 32 Cb -0.14 -1.48 -0.03 0.00 1.34 0.00 0.00 72.50 72.19 2qie s THR 32 CO 0.04 0.47 0.46 -0.83 -0.54 0.00 0.00 174.62 174.22 2qie s GLY 33 N 0.78 1.94 0.07 3.99 0.00 -0.03 -4.99 107.32 109.08 2qie s GLY 33 Ca -0.10 -0.60 0.07 0.00 0.00 0.00 0.00 44.72 44.09 2qie s GLY 33 CO 0.01 1.07 -0.13 0.30 0.00 0.00 0.00 173.10 174.35 2qie s HIS 34 N 1.94 2.67 0.01 1.90 3.76 -1.26 -0.14 115.29 124.17 2qie s HIS 34 Ca 0.20 -0.19 -0.30 0.00 -0.15 0.00 0.00 55.06 54.62 2qie s HIS 34 Cb -0.15 -1.46 -0.06 0.00 1.11 0.00 0.00 32.58 32.02 2qie s HIS 34 CO 0.09 0.35 1.46 0.08 -0.85 0.00 0.00 174.74 175.87 2qie s VAL 35 N -1.07 3.56 0.19 -0.90 1.01 -0.89 -4.88 120.40 117.43 2qie s VAL 35 Ca 0.18 0.96 -0.09 0.00 0.00 0.00 0.00 61.98 63.03 2qie s VAL 35 Cb -0.11 -3.62 -0.07 0.00 0.00 0.00 0.00 36.38 32.59 2qie s VAL 35 CO 0.09 -0.00 0.49 -0.13 0.00 0.00 0.00 175.10 175.55 2qie s ARG 36 N 2.50 3.76 -0.13 2.72 0.52 -1.26 -0.65 118.95 126.41 2qie s ARG 36 Ca 0.66 0.18 -0.25 0.00 -0.52 0.00 0.00 55.73 55.80 2qie s ARG 36 Cb -0.33 -2.75 -0.26 0.00 0.52 0.00 0.00 34.95 32.13 2qie s ARG 36 CO 0.28 0.39 0.70 1.49 0.02 0.00 0.00 175.30 178.17 2qie h GLU 37 N 2.79 0.08 0.00 3.54 4.81 -1.93 -3.43 114.58 120.44 2qie h GLU 37 Ca -0.47 -0.14 -0.52 0.00 -0.13 0.00 0.00 59.36 58.10 2qie h GLU 37 Cb 1.17 0.05 -0.05 0.00 0.63 0.00 0.00 28.75 30.56 2qie h GLU 37 CO 0.70 1.07 -0.25 0.91 -0.73 0.00 0.00 179.01 180.70 2qie n TRP 38 N -4.42 -0.58 -3.17 0.92 7.02 -1.25 0.12 117.44 116.07 2qie n TRP 38 Ca -0.15 -2.08 -0.21 0.00 -1.02 0.00 0.00 57.50 54.03 2qie n TRP 38 Cb 0.62 -0.39 0.05 0.00 -2.42 0.00 0.00 31.31 29.16 2qie n TRP 38 CO 0.00 0.00 0.00 0.25 -2.02 0.00 0.00 177.69 175.92 2qie n THR 39 N -1.61 -2.22 -1.68 -0.99 -2.24 0.13 -4.71 114.28 100.95 2qie n THR 39 Ca -0.03 0.00 -0.33 0.00 -2.27 0.00 0.00 64.05 61.42 2qie n THR 39 Cb 0.56 -3.52 -0.04 0.00 -2.10 0.00 0.00 70.33 65.23 2qie n THR 39 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 2qie n LYS 40 N -4.15 3.48 -0.70 -0.78 4.01 -1.26 -4.52 118.16 114.24 2qie n LYS 40 Ca -0.06 -2.77 0.00 0.00 -0.51 0.00 0.00 58.31 54.96 2qie n LYS 40 Cb 0.59 -2.40 0.00 0.00 -0.51 0.00 0.00 35.03 32.71 2qie n LYS 40 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 2qie n GLY 41 N 1.52 0.96 3.70 0.72 0.00 -1.26 -5.01 105.19 105.83 2qie n GLY 41 Ca 0.57 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 46.23 2qie n GLY 41 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2qie s VAL 42 N -2.99 4.82 -0.95 1.61 -7.23 -1.26 -5.04 120.40 109.36 2qie s VAL 42 Ca 0.00 -0.04 -0.13 0.00 -1.81 0.00 0.00 61.98 60.01 2qie s VAL 42 Cb 0.00 -3.12 0.23 0.00 0.56 0.00 0.00 36.38 34.05 2qie s VAL 42 CO 0.00 0.53 0.94 -0.75 -0.31 0.00 0.00 175.10 175.51 2qie s LYS 43 N -0.25 3.83 0.08 4.82 2.20 -1.26 0.19 119.74 129.35 2qie s LYS 43 Ca 0.08 -2.67 -0.32 0.00 -0.36 0.00 0.00 55.97 52.71 2qie s LYS 43 Cb -0.12 -4.54 -0.11 0.00 -1.51 0.00 0.00 37.83 31.56 2qie s LYS 43 CO 0.01 -1.33 1.86 2.41 -0.36 0.00 0.00 175.35 177.94 2qie n THR 44 N 3.69 0.45 0.11 3.43 -1.04 0.33 -4.58 114.28 116.68 2qie n THR 44 Ca 0.19 -0.08 -0.07 0.00 -2.04 0.00 0.00 64.05 62.05 2qie n THR 44 Cb 0.44 -2.09 -0.04 0.00 -1.82 0.00 0.00 70.33 66.82 2qie n THR 44 CO 0.00 0.00 0.00 -0.33 -0.64 0.00 0.00 175.07 174.10 2qie h GLU 45 N 8.89 -0.36 -3.14 -2.82 4.39 -1.40 -3.45 114.58 116.68 2qie h GLU 45 Ca -0.47 0.02 0.04 0.00 0.34 0.00 0.00 59.36 59.29 2qie h GLU 45 Cb 1.23 0.08 -0.06 0.00 -0.10 0.00 0.00 28.75 29.91 2qie h GLU 45 CO 0.94 -0.18 0.16 1.52 -1.16 0.00 0.00 179.01 180.29 2qie s TYR 46 N -2.94 -0.06 -0.05 4.33 -0.85 -1.19 -4.53 117.35 112.06 2qie s TYR 46 Ca -0.07 -0.38 0.03 0.00 -0.52 0.00 0.00 57.07 56.13 2qie s TYR 46 Cb 0.01 0.60 -0.03 0.00 0.38 0.00 0.00 41.96 42.92 2qie s TYR 46 CO 0.23 -1.19 -0.12 -0.51 -1.52 0.00 0.00 175.55 172.44 2qie s LEU 47 N -2.94 2.88 -0.21 -3.49 1.43 -0.74 -2.15 118.68 113.46 2qie s LEU 47 Ca 0.14 -0.15 -0.04 0.00 -1.03 0.00 0.00 54.13 53.05 2qie s LEU 47 Cb -0.05 -1.61 -0.01 0.00 0.03 0.00 0.00 46.19 44.56 2qie s LEU 47 CO 0.08 0.35 -0.05 -0.70 0.23 0.00 0.00 176.35 176.25 2qie s GLU 48 N -0.81 3.40 -0.08 1.70 2.12 -0.55 0.12 118.70 124.59 2qie s GLU 48 Ca 0.12 -0.62 -0.01 0.00 0.36 0.00 0.00 54.97 54.82 2qie s GLU 48 Cb -0.11 -2.98 -0.03 0.00 0.26 0.00 0.00 34.13 31.27 2qie s GLU 48 CO 0.01 -0.14 -0.03 0.71 -0.54 0.00 0.00 175.26 175.27 2qie s TYR 49 N 1.33 3.07 0.14 5.30 1.51 -0.60 0.35 117.35 128.46 2qie s TYR 49 Ca 0.04 0.12 0.03 0.00 -1.01 0.00 0.00 57.07 56.25 2qie s TYR 49 Cb -0.14 -1.75 -0.04 0.00 -0.11 0.00 0.00 41.96 39.91 2qie s TYR 49 CO -0.02 0.41 -0.05 -1.83 -1.11 0.00 0.00 175.55 172.95 2qie s GLU 50 N -0.86 1.01 0.01 -0.62 -1.05 -0.60 -0.48 118.70 116.11 2qie s GLU 50 Ca 0.13 -1.45 -0.11 0.00 -0.15 0.00 0.00 54.97 53.39 2qie s GLU 50 Cb -0.11 -0.36 0.01 0.00 -0.44 0.00 0.00 34.13 33.23 2qie s GLU 50 CO 0.02 -0.03 0.24 0.00 0.95 0.00 0.00 175.26 176.43 2qie s ALA 51 N -3.54 -0.55 -0.82 -0.84 0.00 -1.26 -1.27 121.76 113.48 2qie s ALA 51 Ca 0.18 0.02 -0.22 0.00 0.00 0.00 0.00 51.96 51.93 2qie s ALA 51 Cb 0.05 0.17 0.08 0.00 0.00 0.00 0.00 23.12 23.41 2qie s ALA 51 CO 0.00 -0.29 1.15 -0.47 0.00 0.00 0.00 175.76 176.15 2qie s TYR 52 N -1.81 2.71 0.04 0.00 5.04 -0.97 -4.96 117.35 117.40 2qie s TYR 52 Ca -0.11 -0.77 -0.31 0.00 -2.44 0.00 0.00 57.07 53.45 2qie s TYR 52 Cb -0.04 -4.42 -0.18 0.00 0.35 0.00 0.00 41.96 37.67 2qie s TYR 52 CO 0.01 -1.73 1.41 0.82 -1.34 0.00 0.00 175.55 174.72 2qie h ILE 53 N 6.10 0.25 -0.76 3.14 2.04 -1.98 0.02 117.51 126.32 2qie h ILE 53 Ca -0.07 -0.18 0.07 0.00 1.00 0.00 0.00 64.86 65.68 2qie h ILE 53 Cb 1.04 0.30 -0.06 0.00 -0.74 0.00 0.00 36.82 37.36 2qie h ILE 53 CO 1.22 0.02 0.45 1.55 0.00 0.00 0.00 178.15 181.39 2qie h PRO 54 N -1.06 0.78 -0.38 2.37 0.13 -2.00 -0.24 132.00 131.61 2qie h PRO 54 Ca -0.09 -0.05 -0.11 0.00 -0.87 0.00 0.00 66.00 64.88 2qie h PRO 54 Cb 0.73 -0.18 -0.01 0.00 0.13 0.00 0.00 31.00 31.68 2qie h PRO 54 CO 0.15 0.52 -0.20 1.98 -0.23 0.00 0.00 178.00 180.22 2qie h MET 55 N 0.81 0.81 -0.25 0.86 1.85 -1.97 -1.89 114.93 115.14 2qie h MET 55 Ca 0.34 -0.36 0.05 0.00 -0.61 0.00 0.00 59.70 59.12 2qie h MET 55 Cb 0.21 -0.02 -0.05 0.00 0.43 0.00 0.00 31.60 32.18 2qie h MET 55 CO -0.19 0.99 -0.05 0.00 -0.40 0.00 0.00 176.91 177.26 2qie h ALA 56 N 0.80 0.18 -0.74 0.39 0.00 -0.53 0.42 119.26 119.77 2qie h ALA 56 Ca 0.08 0.09 0.06 0.00 0.00 0.00 0.00 54.91 55.14 2qie h ALA 56 Cb 0.76 0.18 -0.06 0.00 0.00 0.00 0.00 17.79 18.67 2qie h ALA 56 CO 0.06 -0.46 0.44 0.93 0.00 0.00 0.00 179.25 180.22 2qie h GLU 57 N 0.02 0.78 -0.40 0.00 5.08 -1.00 -1.85 114.58 117.20 2qie h GLU 57 Ca 0.12 -0.05 -0.00 0.00 -1.00 0.00 0.00 59.36 58.43 2qie h GLU 57 Cb 0.18 -0.18 -0.02 0.00 0.50 0.00 0.00 28.75 29.23 2qie h GLU 57 CO -0.25 0.52 0.23 0.87 -1.00 0.00 0.00 179.01 179.39 2qie h LYS 58 N 0.81 0.55 -0.05 2.33 1.57 -0.82 -1.89 116.57 119.06 2qie h LYS 58 Ca 0.33 -0.05 -0.03 0.00 -1.87 0.00 0.00 60.65 59.03 2qie h LYS 58 Cb 0.17 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.36 2qie h LYS 58 CO -0.17 0.42 -0.09 0.87 -0.57 0.00 0.00 179.45 179.90 2qie h LYS 59 N 0.52 0.07 -0.30 3.15 1.79 -0.50 0.77 116.57 122.07 2qie h LYS 59 Ca 0.14 -0.01 -0.17 0.00 -2.18 0.00 0.00 60.65 58.43 2qie h LYS 59 Cb 0.02 -0.01 -0.00 0.00 -1.58 0.00 0.00 32.23 30.65 2qie h LYS 59 CO -0.03 0.17 -0.48 -0.07 -1.08 0.00 0.00 179.45 177.97 2qie h LEU 60 N 0.07 0.94 -0.71 2.94 3.38 -1.06 -2.34 115.31 118.53 2qie h LEU 60 Ca 0.02 -0.52 0.01 0.00 0.09 0.00 0.00 57.88 57.48 2qie h LEU 60 Cb 0.21 -0.27 -0.04 0.00 0.09 0.00 0.00 40.66 40.66 2qie h LEU 60 CO 0.01 1.27 0.47 0.00 0.09 0.00 0.00 178.44 180.28 2qie h ALA 61 N 0.69 0.90 -0.65 1.53 0.00 -0.54 -2.62 119.26 118.58 2qie h ALA 61 Ca 0.03 -0.05 0.05 0.00 0.00 0.00 0.00 54.91 54.94 2qie h ALA 61 Cb 1.08 -0.28 -0.05 0.00 0.00 0.00 0.00 17.79 18.54 2qie h ALA 61 CO 0.11 0.31 0.38 0.37 0.00 0.00 0.00 179.25 180.42 2qie h GLN 62 N 0.96 0.69 -0.58 0.00 4.15 -0.79 -1.98 115.11 117.56 2qie h GLN 62 Ca 0.26 -0.04 0.01 0.00 0.77 0.00 0.00 58.65 59.65 2qie h GLN 62 Cb -0.10 -0.16 -0.03 0.00 0.21 0.00 0.00 27.48 27.41 2qie h GLN 62 CO -0.06 0.46 0.38 0.82 -1.93 0.00 0.00 178.83 178.50 2qie h ILE 63 N 0.71 1.14 -0.54 2.39 2.04 -1.15 -0.48 117.51 121.61 2qie h ILE 63 Ca 0.28 -0.26 -0.05 0.00 1.00 0.00 0.00 64.86 65.83 2qie h ILE 63 Cb 0.12 0.30 -0.02 0.00 -0.74 0.00 0.00 36.82 36.48 2qie h ILE 63 CO -0.15 0.14 0.13 1.23 0.00 0.00 0.00 178.15 179.50 2qie h GLY 64 N 0.77 0.89 0.95 5.37 0.00 -1.02 -1.45 103.07 108.57 2qie h GLY 64 Ca 0.21 -0.51 -0.12 0.00 0.00 0.00 0.00 47.33 46.92 2qie h GLY 64 CO -0.05 0.48 -0.30 -0.55 0.00 0.00 0.00 176.54 176.12 2qie h ASP 65 N 0.80 0.72 -0.74 0.19 3.32 -0.67 -1.51 116.42 118.52 2qie h ASP 65 Ca 0.18 -0.49 0.04 0.00 0.02 0.00 0.00 57.03 56.78 2qie h ASP 65 Cb 0.29 -0.20 -0.04 0.00 0.22 0.00 0.00 39.33 39.59 2qie h ASP 65 CO -0.00 1.06 0.49 -0.33 -1.72 0.00 0.00 179.24 178.74 2qie h GLU 66 N 0.39 0.87 -0.21 3.56 5.08 -0.99 -1.13 114.58 122.15 2qie h GLU 66 Ca 0.04 -0.05 -0.19 0.00 -1.00 0.00 0.00 59.36 58.15 2qie h GLU 66 Cb 0.87 -0.20 0.00 0.00 0.50 0.00 0.00 28.75 29.93 2qie h GLU 66 CO 0.07 0.57 -0.63 0.82 -1.00 0.00 0.00 179.01 178.85 2qie h ILE 67 N 0.89 1.29 -0.58 3.13 2.04 -1.12 -0.76 117.51 122.41 2qie h ILE 67 Ca 0.30 -1.85 -0.03 0.00 1.00 0.00 0.00 64.86 64.28 2qie h ILE 67 Cb 0.07 1.79 -0.03 0.00 -0.74 0.00 0.00 36.82 37.92 2qie h ILE 67 CO -0.09 0.59 0.25 -1.13 0.00 0.00 0.00 178.15 177.77 2qie h ASN 68 N 0.56 0.78 0.54 1.72 -1.24 -0.84 0.35 115.58 117.45 2qie h ASN 68 Ca -0.01 -0.16 -0.03 0.00 0.71 0.00 0.00 56.30 56.82 2qie h ASN 68 Cb 1.23 -0.20 0.01 0.00 0.73 0.00 0.00 38.32 40.08 2qie h ASN 68 CO 0.13 0.72 -0.26 -0.08 -1.29 0.00 0.00 177.43 176.65 2qie h GLU 69 N 0.79 -0.70 -0.55 6.67 4.81 -1.13 -2.79 114.58 121.67 2qie h GLU 69 Ca 0.19 0.05 -0.11 0.00 -0.13 0.00 0.00 59.36 59.37 2qie h GLU 69 Cb 0.17 0.16 -0.02 0.00 0.63 0.00 0.00 28.75 29.69 2qie h GLU 69 CO -0.02 -0.42 -0.07 0.87 -0.73 0.00 0.00 179.01 178.63 2qie h LYS 70 N -0.83 1.00 -2.64 1.92 1.57 -1.09 -3.37 116.57 113.12 2qie h LYS 70 Ca -0.07 -0.35 -0.60 0.00 -1.87 0.00 0.00 60.65 57.76 2qie h LYS 70 Cb 0.60 -0.08 -0.40 0.00 0.08 0.00 0.00 32.23 32.43 2qie h LYS 70 CO 0.12 1.03 -0.80 0.91 -0.57 0.00 0.00 179.45 180.14 2qie n TRP 71 N -4.16 1.07 -1.33 -1.35 8.01 0.12 -5.08 117.44 114.72 2qie n TRP 71 Ca 0.02 -3.78 -0.36 0.00 -1.31 0.00 0.00 57.50 52.07 2qie n TRP 71 Cb 0.38 -0.18 0.08 0.00 -2.01 0.00 0.00 31.31 29.58 2qie n TRP 71 CO 0.00 0.00 0.00 -2.30 -1.01 0.00 0.00 177.69 174.38 2qie n PRO 72 N 2.31 0.45 0.00 -0.99 -0.02 -1.05 -2.86 135.00 132.83 2qie n PRO 72 Ca 0.25 0.21 0.00 0.00 -2.02 0.00 0.00 63.50 61.94 2qie n PRO 72 Cb 0.42 -2.11 0.00 0.00 -0.02 0.00 0.00 33.50 31.79 2qie n PRO 72 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2qie n GLY 73 N 1.25 2.18 3.87 -1.23 0.00 -1.26 -4.97 105.19 105.02 2qie n GLY 73 Ca 0.12 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.83 2qie n GLY 73 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2qie s THR 74 N -2.33 4.68 -0.04 2.61 -4.23 -1.14 -4.46 115.64 110.74 2qie s THR 74 Ca 0.00 0.88 0.02 0.00 -1.18 0.00 0.00 61.69 61.41 2qie s THR 74 Cb 0.00 -3.80 0.01 0.00 1.34 0.00 0.00 72.50 70.05 2qie s THR 74 CO 0.00 -0.86 -0.09 -0.63 -0.54 0.00 0.00 174.62 172.50 2qie s ILE 75 N -2.82 0.83 -0.04 2.99 1.01 -1.07 -4.92 121.20 117.19 2qie s ILE 75 Ca 0.55 -0.33 0.07 0.00 0.00 0.00 0.00 60.65 60.93 2qie s ILE 75 Cb -0.10 -0.78 -0.01 0.00 0.01 0.00 0.00 42.46 41.58 2qie s ILE 75 CO 0.42 0.28 -0.25 -0.89 0.00 0.00 0.00 174.94 174.50 2qie s THR 76 N 0.56 1.98 -0.01 2.92 2.01 -1.26 -1.20 115.64 120.64 2qie s THR 76 Ca -0.10 -1.05 0.03 0.00 0.31 0.00 0.00 61.69 60.88 2qie s THR 76 Cb -0.13 -1.66 -0.00 0.00 0.01 0.00 0.00 72.50 70.72 2qie s THR 76 CO 0.02 0.56 -0.09 -0.55 -0.69 0.00 0.00 174.62 173.87 2qie s SER 77 N -0.38 1.06 -0.01 3.53 0.15 0.41 -4.94 113.70 113.53 2qie s SER 77 Ca 0.03 -0.16 0.01 0.00 0.70 0.00 0.00 55.95 56.53 2qie s SER 77 Cb -0.11 -0.18 0.00 0.00 -1.71 0.00 0.00 66.02 64.02 2qie s SER 77 CO 0.01 0.09 -0.03 -0.63 1.20 0.00 0.00 173.24 173.88 2qie s ILE 78 N -0.05 0.28 -0.00 6.45 1.01 -0.59 -0.66 121.20 127.63 2qie s ILE 78 Ca 0.01 -0.12 0.00 0.00 0.00 0.00 0.00 60.65 60.54 2qie s ILE 78 Cb -0.05 -0.26 0.00 0.00 0.01 0.00 0.00 42.46 42.16 2qie s ILE 78 CO -0.00 0.09 -0.01 0.54 0.00 0.00 0.00 174.94 175.56 2qie s VAL 79 N 0.10 0.11 -0.03 2.92 0.11 -0.58 -1.87 120.40 121.15 2qie s VAL 79 Ca -0.01 -0.03 0.06 0.00 -2.93 0.00 0.00 61.98 59.08 2qie s VAL 79 Cb -0.04 -0.12 -0.01 0.00 -1.53 0.00 0.00 36.38 34.69 2qie s VAL 79 CO -0.00 0.04 -0.23 -2.28 -3.33 0.00 0.00 175.10 169.31 2qie s HIS 80 N 0.12 2.10 0.18 1.54 2.46 -0.54 -1.34 115.29 119.81 2qie s HIS 80 Ca -0.01 -0.49 -0.06 0.00 0.47 0.00 0.00 55.06 54.97 2qie s HIS 80 Cb -0.02 -1.37 -0.06 0.00 -0.13 0.00 0.00 32.58 31.00 2qie s HIS 80 CO -0.00 -0.10 0.44 0.50 -2.47 0.00 0.00 174.74 173.11 2qie s ARG 81 N -0.35 3.67 0.44 2.88 3.52 0.14 -0.97 118.95 128.28 2qie s ARG 81 Ca 0.04 0.01 0.03 0.00 -0.13 0.00 0.00 55.73 55.68 2qie s ARG 81 Cb -0.11 -2.77 -0.02 0.00 -1.56 0.00 0.00 34.95 30.50 2qie s ARG 81 CO 0.01 0.40 0.11 0.96 -0.81 0.00 0.00 175.30 175.97 2qie s ILE 82 N -1.76 0.63 0.00 4.11 -4.36 -0.36 -4.89 121.20 114.58 2qie s ILE 82 Ca 0.43 -2.00 0.00 0.00 -0.26 0.00 0.00 60.65 58.82 2qie s ILE 82 Cb -0.12 -2.24 0.00 0.00 1.25 0.00 0.00 42.46 41.35 2qie s ILE 82 CO 0.24 0.00 0.00 0.61 0.24 0.00 0.00 174.94 176.03 2qie n GLY 83 N -1.03 -2.13 3.70 6.27 0.00 0.36 -4.68 105.19 107.69 2qie n GLY 83 Ca -0.09 -1.61 -0.42 0.00 0.00 0.00 0.00 46.02 43.90 2qie n GLY 83 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2qie s PRO 84 N -0.16 4.37 -0.04 1.61 0.04 -1.26 -1.55 135.00 138.01 2qie s PRO 84 Ca 0.00 1.82 0.04 0.00 0.04 0.00 0.00 61.00 62.90 2qie s PRO 84 Cb 0.00 -3.42 -0.03 0.00 0.04 0.00 0.00 34.50 31.09 2qie s PRO 84 CO 0.00 -0.38 -0.14 -0.51 0.04 0.00 0.00 177.00 176.01 2qie s LEU 85 N 1.56 2.75 0.56 -3.56 1.02 0.31 -4.98 118.68 116.35 2qie s LEU 85 Ca 0.60 -0.21 0.01 0.00 0.02 0.00 0.00 54.13 54.54 2qie s LEU 85 Cb -0.30 -1.57 0.04 0.00 0.02 0.00 0.00 46.19 44.38 2qie s LEU 85 CO 0.27 0.33 0.79 -1.10 0.02 0.00 0.00 176.35 176.67 2qie s GLN 86 N -0.84 2.50 0.01 1.70 -1.52 -1.26 -1.78 119.66 118.46 2qie s GLN 86 Ca 0.12 -0.78 -0.36 0.00 -1.95 0.00 0.00 55.36 52.39 2qie s GLN 86 Cb -0.11 -2.47 -0.15 0.00 -0.22 0.00 0.00 33.01 30.06 2qie s GLN 86 CO 0.01 -0.76 1.55 -0.89 -0.25 0.00 0.00 175.29 174.96 2qie n ILE 87 N -2.38 0.14 -0.85 1.08 2.08 -1.26 -1.20 119.36 116.97 2qie n ILE 87 Ca 0.08 -0.03 0.00 0.00 0.56 0.00 0.00 62.75 63.37 2qie n ILE 87 Cb 0.60 -1.23 0.00 0.00 -0.75 0.00 0.00 39.64 38.26 2qie n ILE 87 CO 0.00 0.00 0.00 -1.20 0.56 0.00 0.00 176.55 175.91 2qie n SER 88 N 3.88 -1.15 -4.76 4.38 7.64 0.17 -4.94 113.62 118.84 2qie n SER 88 Ca 0.20 0.00 -0.36 0.00 1.01 0.00 0.00 58.87 59.72 2qie n SER 88 Cb 0.22 -1.24 0.03 0.00 -1.01 0.00 0.00 64.21 62.21 2qie n SER 88 CO 0.00 0.00 0.00 -1.81 -3.01 0.00 0.00 175.04 170.22 2qie s ASP 89 N -2.42 5.23 -0.28 6.43 1.01 -0.34 -4.60 116.67 121.70 2qie s ASP 89 Ca 0.00 2.37 -0.28 0.00 0.71 0.00 0.00 52.55 55.35 2qie s ASP 89 Cb 0.00 -2.60 0.01 0.00 1.01 0.00 0.00 42.92 41.34 2qie s ASP 89 CO 0.00 -1.56 1.03 -0.63 0.21 0.00 0.00 175.17 174.21 2qie s ILE 90 N -1.61 4.61 -0.06 0.77 1.01 -1.26 -2.09 121.20 122.57 2qie s ILE 90 Ca 0.77 1.78 -0.02 0.00 0.00 0.00 0.00 60.65 63.19 2qie s ILE 90 Cb -0.30 -4.34 -0.26 0.00 0.01 0.00 0.00 42.46 37.57 2qie s ILE 90 CO 0.32 -0.34 0.59 0.00 0.00 0.00 0.00 174.94 175.51 2qie h ALA 91 N 7.85 0.45 -2.88 9.38 0.00 -0.90 -3.44 119.26 129.72 2qie h ALA 91 Ca -0.20 -1.32 -0.15 0.00 0.00 0.00 0.00 54.91 53.24 2qie h ALA 91 Cb 1.06 0.53 -0.23 0.00 0.00 0.00 0.00 17.79 19.15 2qie h ALA 91 CO 0.99 1.31 -0.40 0.54 0.00 0.00 0.00 179.25 181.70 2qie s VAL 92 N -2.58 0.03 -0.03 0.00 0.11 -1.21 -0.68 120.40 116.03 2qie s VAL 92 Ca -0.14 -0.27 0.00 0.00 -2.93 0.00 0.00 61.98 58.64 2qie s VAL 92 Cb 0.07 -0.44 0.03 0.00 -1.53 0.00 0.00 36.38 34.50 2qie s VAL 92 CO 0.81 -0.15 -0.01 -0.22 -3.33 0.00 0.00 175.10 172.20 2qie s LEU 93 N -0.57 1.17 -0.08 2.54 0.20 -0.45 -0.85 118.68 120.64 2qie s LEU 93 Ca -0.07 -0.05 0.04 0.00 0.69 0.00 0.00 54.13 54.75 2qie s LEU 93 Cb -0.04 -0.27 0.00 0.00 -0.43 0.00 0.00 46.19 45.45 2qie s LEU 93 CO 0.02 -0.10 -0.21 -0.63 -0.29 0.00 0.00 176.35 175.14 2qie s ILE 94 N 1.04 1.81 -0.09 6.68 1.01 -0.57 -1.53 121.20 129.56 2qie s ILE 94 Ca -0.09 -0.89 0.01 0.00 0.00 0.00 0.00 60.65 59.68 2qie s ILE 94 Cb -0.14 -1.57 0.02 0.00 0.01 0.00 0.00 42.46 40.78 2qie s ILE 94 CO -0.01 0.51 -0.10 0.00 0.00 0.00 0.00 174.94 175.33 2qie s ALA 95 N 0.31 1.30 -0.12 9.38 0.00 0.16 -0.61 121.76 132.18 2qie s ALA 95 Ca -0.14 -0.49 -0.00 0.00 0.00 0.00 0.00 51.96 51.33 2qie s ALA 95 Cb -0.16 -0.74 0.03 0.00 0.00 0.00 0.00 23.12 22.25 2qie s ALA 95 CO 0.07 -0.14 -0.07 0.08 0.00 0.00 0.00 175.76 175.69 2qie s VAL 96 N 1.16 1.04 0.35 0.00 1.01 -0.58 -0.44 120.40 122.93 2qie s VAL 96 Ca -0.05 -0.32 0.02 0.00 0.00 0.00 0.00 61.98 61.63 2qie s VAL 96 Cb -0.14 -1.07 -0.02 0.00 0.00 0.00 0.00 36.38 35.15 2qie s VAL 96 CO -0.02 0.34 0.54 -0.94 0.00 0.00 0.00 175.10 175.02 2qie s SER 97 N 1.70 6.15 -0.10 3.32 1.04 -0.34 -1.41 113.70 124.07 2qie s SER 97 Ca 0.05 0.27 -0.30 0.00 0.48 0.00 0.00 55.95 56.45 2qie s SER 97 Cb -0.13 -1.79 0.11 0.00 0.10 0.00 0.00 66.02 64.32 2qie s SER 97 CO -0.08 -0.37 0.94 -0.55 0.98 0.00 0.00 173.24 174.16 2qie s SER 98 N -4.09 -0.39 0.16 7.02 0.15 -0.15 -2.61 113.70 113.79 2qie s SER 98 Ca 0.41 0.29 -0.18 0.00 0.70 0.00 0.00 55.95 57.17 2qie s SER 98 Cb -0.10 0.35 0.06 0.00 -1.71 0.00 0.00 66.02 64.62 2qie s SER 98 CO 0.35 -0.46 1.68 -0.65 1.20 0.00 0.00 173.24 175.36 2qie h PRO 99 N 2.40 -0.01 -6.10 5.44 0.11 -1.78 -0.35 132.00 131.70 2qie h PRO 99 Ca -0.20 0.00 -0.58 0.00 0.11 0.00 0.00 66.00 65.33 2qie h PRO 99 Cb 1.19 0.00 -0.15 0.00 0.11 0.00 0.00 31.00 32.15 2qie h PRO 99 CO 0.31 -0.01 -0.76 -1.01 -0.21 0.00 0.00 178.00 176.33 2qie s HIS 100 N -6.21 2.16 0.27 0.65 3.76 -1.26 -2.76 115.29 111.90 2qie s HIS 100 Ca -0.14 -0.39 -0.03 0.00 -0.15 0.00 0.00 55.06 54.35 2qie s HIS 100 Cb 0.13 -0.96 0.36 0.00 1.11 0.00 0.00 32.58 33.22 2qie s HIS 100 CO 0.70 0.62 1.89 0.07 -0.85 0.00 0.00 174.74 177.16 2qie h ARG 101 N 2.44 1.06 -0.57 1.40 0.11 -1.92 -3.26 114.38 113.64 2qie h ARG 101 Ca -0.40 -0.13 -0.06 0.00 0.10 0.00 0.00 59.98 59.49 2qie h ARG 101 Cb 1.25 -0.21 -0.02 0.00 1.11 0.00 0.00 29.97 32.10 2qie h ARG 101 CO 0.59 0.79 0.11 0.87 0.10 0.00 0.00 179.97 182.44 2qie h LYS 102 N 1.06 0.93 -0.82 0.08 1.57 -1.98 -2.36 116.57 115.05 2qie h LYS 102 Ca 0.27 -0.24 0.02 0.00 -1.87 0.00 0.00 60.65 58.83 2qie h LYS 102 Cb 0.06 -0.11 -0.04 0.00 0.08 0.00 0.00 32.23 32.21 2qie h LYS 102 CO -0.04 0.88 0.54 -0.44 -0.57 0.00 0.00 179.45 179.83 2qie h ASP 103 N 0.83 0.92 -0.30 0.86 5.19 -1.99 -0.25 116.42 121.68 2qie h ASP 103 Ca 0.18 -0.02 -0.03 0.00 -0.62 0.00 0.00 57.03 56.54 2qie h ASP 103 Cb 0.39 -0.22 -0.01 0.00 0.18 0.00 0.00 39.33 39.66 2qie h ASP 103 CO 0.01 0.65 0.06 0.00 -3.12 0.00 0.00 179.24 176.84 2qie h ALA 104 N 1.50 0.39 -0.65 3.45 0.00 -1.55 0.14 119.26 122.55 2qie h ALA 104 Ca 0.31 -0.18 -0.06 0.00 0.00 0.00 0.00 54.91 54.98 2qie h ALA 104 Cb -0.06 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.59 2qie h ALA 104 CO -0.08 0.07 0.15 1.88 0.00 0.00 0.00 179.25 181.27 2qie h TYR 105 N 0.32 1.10 -0.02 0.00 -1.99 -1.14 -2.38 116.97 112.86 2qie h TYR 105 Ca 0.09 -0.13 -0.01 0.00 2.00 0.00 0.00 58.73 60.68 2qie h TYR 105 Cb 0.31 -0.31 -0.00 0.00 2.00 0.00 0.00 36.73 38.73 2qie h TYR 105 CO 0.02 0.91 -0.01 0.00 -0.00 0.00 0.00 178.16 179.08 2qie h ARG 106 N 0.97 0.04 -0.47 4.88 2.47 -0.74 -2.39 114.38 119.14 2qie h ARG 106 Ca 0.20 -0.02 -0.07 0.00 -1.26 0.00 0.00 59.98 58.83 2qie h ARG 106 Cb 0.37 -0.00 -0.02 0.00 -1.65 0.00 0.00 29.97 28.67 2qie h ARG 106 CO 0.00 0.46 -0.01 0.00 0.56 0.00 0.00 179.97 180.98 2qie h ALA 107 N 0.59 1.11 -0.28 0.04 0.00 -0.79 -0.65 119.26 119.27 2qie h ALA 107 Ca 0.00 -0.26 -0.03 0.00 0.00 0.00 0.00 54.91 54.61 2qie h ALA 107 Cb 0.44 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 2qie h ALA 107 CO 0.00 0.57 0.04 -0.97 0.00 0.00 0.00 179.25 178.89 2qie h ASN 108 N 0.73 0.46 0.15 0.00 -0.73 -1.45 -1.02 115.58 113.71 2qie h ASN 108 Ca 0.14 -0.26 -0.08 0.00 1.87 0.00 0.00 56.30 57.96 2qie h ASN 108 Cb 0.46 -0.12 -0.01 0.00 0.27 0.00 0.00 38.32 38.91 2qie h ASN 108 CO 0.02 0.60 -0.29 -0.08 -0.37 0.00 0.00 177.43 177.31 2qie h GLU 109 N 0.29 0.24 -0.25 6.67 4.81 -1.29 -2.82 114.58 122.23 2qie h GLU 109 Ca 0.09 -0.09 -0.00 0.00 -0.13 0.00 0.00 59.36 59.23 2qie h GLU 109 Cb 0.35 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.70 2qie h GLU 109 CO 0.01 0.52 0.14 -0.92 -0.73 0.00 0.00 179.01 178.02 2qie h TYR 110 N 0.21 0.33 -0.20 0.92 3.20 -0.87 -2.96 116.97 117.61 2qie h TYR 110 Ca 0.03 -0.00 0.04 0.00 3.14 0.00 0.00 58.73 61.94 2qie h TYR 110 Cb 0.63 -0.11 -0.04 0.00 1.54 0.00 0.00 36.73 38.75 2qie h TYR 110 CO 0.01 0.27 -0.07 0.00 -1.64 0.00 0.00 178.16 176.73 2qie h ALA 111 N 1.03 0.10 -0.31 1.82 0.00 -0.95 -1.24 119.26 119.72 2qie h ALA 111 Ca 0.09 0.08 -0.06 0.00 0.00 0.00 0.00 54.91 55.02 2qie h ALA 111 Cb 0.04 0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.00 2qie h ALA 111 CO -0.02 -0.50 -0.05 0.97 0.00 0.00 0.00 179.25 179.66 2qie h ILE 112 N -0.04 1.20 -0.30 0.00 6.09 -1.53 0.47 117.51 123.41 2qie h ILE 112 Ca 0.10 -0.85 -0.13 0.00 -1.37 0.00 0.00 64.86 62.61 2qie h ILE 112 Cb 0.19 1.03 -0.01 0.00 0.47 0.00 0.00 36.82 38.49 2qie h ILE 112 CO -0.22 0.29 -0.33 -0.33 -3.07 0.00 0.00 178.15 174.48 2qie h GLU 113 N 0.47 0.66 -0.06 2.19 4.39 -1.26 -2.77 114.58 118.19 2qie h GLU 113 Ca 0.10 -0.30 -0.19 0.00 0.34 0.00 0.00 59.36 59.30 2qie h GLU 113 Cb 0.38 -0.01 -0.00 0.00 -0.10 0.00 0.00 28.75 29.02 2qie h GLU 113 CO 0.02 0.90 -0.78 0.00 -1.16 0.00 0.00 179.01 177.98 2qie h ARG 114 N 0.55 0.39 -0.14 2.33 2.47 -0.56 -2.79 114.38 116.64 2qie h ARG 114 Ca 0.06 -0.34 0.03 0.00 -1.26 0.00 0.00 59.98 58.46 2qie h ARG 114 Cb 0.83 0.08 -0.02 0.00 -1.65 0.00 0.00 29.97 29.21 2qie h ARG 114 CO 0.07 0.99 -0.02 0.82 0.56 0.00 0.00 179.97 182.39 2qie h ILE 115 N 0.26 0.88 0.00 2.04 2.04 -0.94 -0.50 117.51 121.29 2qie h ILE 115 Ca -0.04 -0.01 0.00 0.00 1.00 0.00 0.00 64.86 65.81 2qie h ILE 115 Cb 1.37 0.86 0.00 0.00 -0.74 0.00 0.00 36.82 38.31 2qie h ILE 115 CO 0.13 0.00 0.00 0.29 0.00 0.00 0.00 178.15 178.58 2qie n LYS 116 N -5.15 0.09 -0.12 2.37 5.02 -1.05 -2.81 118.16 116.51 2qie n LYS 116 Ca -0.04 0.48 -0.17 0.00 -2.02 0.00 0.00 58.31 56.56 2qie n LYS 116 Cb 0.09 -1.74 -0.13 0.00 -0.02 0.00 0.00 35.03 33.23 2qie n LYS 116 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 2qie n GLU 117 N -1.93 0.66 0.00 1.97 1.02 -0.69 -4.88 120.64 116.78 2qie n GLU 117 Ca 0.01 0.12 0.00 0.00 -0.02 0.00 0.00 57.16 57.27 2qie n GLU 117 Cb 0.10 -1.51 0.00 0.00 -0.02 0.00 0.00 31.44 30.01 2qie n GLU 117 CO 0.00 0.00 0.00 0.44 1.18 0.00 0.00 177.13 178.75 2qie n ILE 118 N -3.17 0.00 -3.10 -3.67 -5.35 -0.28 -5.05 119.36 98.73 2qie n ILE 118 Ca -0.43 -0.23 -0.40 0.00 -0.27 0.00 0.00 62.75 61.41 2qie n ILE 118 Cb 1.01 0.90 -0.05 0.00 -1.74 0.00 0.00 39.64 39.75 2qie n ILE 118 CO 0.00 0.00 0.00 -0.69 -1.76 0.00 0.00 176.55 174.10 2qie s VAL 119 N -0.62 5.03 -0.76 7.28 1.01 -1.12 -4.97 120.40 126.25 2qie s VAL 119 Ca 0.00 1.25 -0.24 0.00 0.00 0.00 0.00 61.98 62.99 2qie s VAL 119 Cb 0.00 -3.97 -0.19 0.00 0.00 0.00 0.00 36.38 32.22 2qie s VAL 119 CO 0.00 0.15 1.88 -2.65 0.00 0.00 0.00 175.10 174.48 2qie n PRO 120 N 4.69 1.10 -4.57 2.72 -0.02 -1.26 -4.81 135.00 132.85 2qie n PRO 120 Ca -0.01 -1.83 -0.22 0.00 -2.02 0.00 0.00 63.50 59.42 2qie n PRO 120 Cb 0.50 -3.15 -0.15 0.00 -0.02 0.00 0.00 33.50 30.68 2qie n PRO 120 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 2qie s ILE 121 N 8.21 1.00 -0.02 4.25 1.01 -1.26 -2.30 121.20 132.10 2qie s ILE 121 Ca 0.65 -0.53 0.02 0.00 0.00 0.00 0.00 60.65 60.80 2qie s ILE 121 Cb 0.09 -0.85 -0.00 0.00 0.01 0.00 0.00 42.46 41.71 2qie s ILE 121 CO 0.18 0.29 -0.08 0.26 0.00 0.00 0.00 174.94 175.58 2qie s TRP 122 N -0.19 0.82 -0.10 3.97 0.51 -0.39 -5.01 118.94 118.54 2qie s TRP 122 Ca 0.03 -0.18 -0.02 0.00 -2.12 0.00 0.00 56.10 53.81 2qie s TRP 122 Cb -0.06 -0.57 -0.03 0.00 -0.81 0.00 0.00 33.47 32.00 2qie s TRP 122 CO -0.00 -0.06 -0.03 -1.59 -0.51 0.00 0.00 176.95 174.76 2qie s LYS 123 N 0.02 3.16 -0.22 4.98 -2.85 -1.26 -1.56 119.74 122.01 2qie s LYS 123 Ca -0.00 -0.48 -0.06 0.00 -1.00 0.00 0.00 55.97 54.43 2qie s LYS 123 Cb -0.06 -2.79 -0.03 0.00 -2.06 0.00 0.00 37.83 32.90 2qie s LYS 123 CO -0.00 0.54 0.03 0.21 0.10 0.00 0.00 175.35 176.23 2qie s LYS 124 N -0.45 3.63 -0.26 1.78 2.20 0.16 -1.44 119.74 125.36 2qie s LYS 124 Ca 0.07 -0.50 -0.19 0.00 -0.36 0.00 0.00 55.97 54.99 2qie s LYS 124 Cb -0.12 -3.18 -0.02 0.00 -1.51 0.00 0.00 37.83 32.99 2qie s LYS 124 CO 0.02 -0.07 0.56 -1.21 -0.36 0.00 0.00 175.35 174.29 2qie s GLU 125 N 1.26 4.09 -0.08 4.03 2.02 -0.66 -1.48 118.70 127.88 2qie s GLU 125 Ca 0.04 0.42 -0.01 0.00 0.02 0.00 0.00 54.97 55.43 2qie s GLU 125 Cb -0.15 -3.65 -0.03 0.00 0.10 0.00 0.00 34.13 30.40 2qie s GLU 125 CO 0.02 -0.38 -0.00 0.42 0.02 0.00 0.00 175.26 175.34 2qie s ILE 126 N 2.39 4.27 0.36 -1.63 1.09 -0.91 -1.80 121.20 124.98 2qie s ILE 126 Ca 0.23 -0.29 0.05 0.00 -1.10 0.00 0.00 60.65 59.54 2qie s ILE 126 Cb -0.16 -2.80 -0.03 0.00 -1.06 0.00 0.00 42.46 38.41 2qie s ILE 126 CO 0.09 0.58 0.20 -1.66 -0.10 0.00 0.00 174.94 174.05 2qie s TRP 127 N -0.90 1.74 0.15 3.97 -2.14 -0.74 -1.11 118.94 119.91 2qie s TRP 127 Ca 0.14 -1.46 -0.19 0.00 2.66 0.00 0.00 56.10 57.25 2qie s TRP 127 Cb -0.11 -0.93 0.03 0.00 -3.10 0.00 0.00 33.47 29.36 2qie s TRP 127 CO 0.03 -0.57 1.69 1.49 -2.66 0.00 0.00 176.95 176.92 2qie h GLU 128 N 1.98 -0.00 -0.65 3.25 4.81 -1.97 -3.08 114.58 118.91 2qie h GLU 128 Ca -0.31 0.00 -0.05 0.00 -0.13 0.00 0.00 59.36 58.87 2qie h GLU 128 Cb 1.25 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 30.60 2qie h GLU 128 CO 0.47 -0.00 0.07 -3.47 -0.73 0.00 0.00 179.01 175.35 2qie n ASP 129 N -5.25 5.29 0.00 1.04 2.03 -1.26 -5.01 116.55 113.39 2qie n ASP 129 Ca -0.00 -2.95 0.00 0.00 0.52 0.00 0.00 54.79 52.36 2qie n ASP 129 Cb 0.17 -0.69 0.00 0.00 -0.72 0.00 0.00 41.12 39.88 2qie n ASP 129 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2qie n GLY 130 N 0.42 -1.77 3.51 0.27 0.00 -1.17 -5.17 105.19 101.27 2qie n GLY 130 Ca 0.29 -1.21 -0.09 0.00 0.00 0.00 0.00 46.02 45.01 2qie n GLY 130 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2qie s SER 131 N -2.81 -0.39 -0.28 1.61 1.04 -1.26 -1.78 113.70 109.82 2qie s SER 131 Ca 0.00 0.09 -0.18 0.00 0.48 0.00 0.00 55.95 56.34 2qie s SER 131 Cb 0.00 0.39 0.09 0.00 0.10 0.00 0.00 66.02 66.60 2qie s SER 131 CO 0.00 -0.60 0.75 -0.75 0.98 0.00 0.00 173.24 173.62 2qie s LYS 132 N -2.77 0.69 0.38 4.02 2.20 -0.74 -5.01 119.74 118.51 2qie s LYS 132 Ca 0.03 1.09 -0.26 0.00 -0.36 0.00 0.00 55.97 56.47 2qie s LYS 132 Cb -0.01 0.19 -0.09 0.00 -1.51 0.00 0.00 37.83 36.42 2qie s LYS 132 CO -0.07 -0.13 1.21 -1.58 -0.36 0.00 0.00 175.35 174.42 2qie s TRP 133 N 1.28 3.05 0.18 4.03 0.52 -1.26 -1.65 118.94 125.08 2qie s TRP 133 Ca -0.07 1.52 0.03 0.00 0.02 0.00 0.00 56.10 57.59 2qie s TRP 133 Cb -0.05 -3.48 -0.03 0.00 -1.15 0.00 0.00 33.47 28.76 2qie s TRP 133 CO -0.14 -1.50 0.32 -0.65 0.02 0.00 0.00 176.95 175.00 2qie s GLN 134 N -2.16 3.45 0.00 4.98 -1.52 -0.52 -4.94 119.66 118.95 2qie s GLN 134 Ca 0.55 -0.60 0.00 0.00 -1.95 0.00 0.00 55.36 53.36 2qie s GLN 134 Cb -0.33 -2.93 0.00 0.00 -0.22 0.00 0.00 33.01 29.53 2qie s GLN 134 CO 0.43 0.48 0.00 0.41 -0.25 0.00 0.00 175.29 176.35 2qie n GLY 135 N -0.79 1.59 3.56 3.09 0.00 -1.26 -4.66 105.19 106.71 2qie n GLY 135 Ca -0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.95 2qie n GLY 135 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89