#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 3.45 0.25 2.12 1.02 -1.26 -5.03 119.74 120.30 2qie s LYS 2 Ca 0.00 -0.44 -0.05 0.00 0.02 0.00 0.00 55.97 55.50 2qie s LYS 2 Cb 0.00 -3.01 0.34 0.00 -0.52 0.00 0.00 37.83 34.65 2qie s LYS 2 CO 0.00 0.58 1.88 0.37 -0.92 0.00 0.00 175.35 177.25 2qie h GLN 3 N 2.84 1.09 -4.18 1.68 4.15 -1.95 -3.39 115.11 115.35 2qie h GLN 3 Ca -0.46 -0.07 -0.56 0.00 0.77 0.00 0.00 58.65 58.33 2qie h GLN 3 Cb 1.17 -0.25 -0.38 0.00 0.21 0.00 0.00 27.48 28.23 2qie h GLN 3 CO 0.74 0.72 -0.79 -0.06 -1.93 0.00 0.00 178.83 177.51 2qie s PHE 4 N -6.07 1.80 -0.09 3.99 0.40 -1.25 -1.19 117.98 115.56 2qie s PHE 4 Ca -0.13 -1.18 -0.07 0.00 -0.60 0.00 0.00 56.93 54.95 2qie s PHE 4 Cb 0.19 -1.35 0.03 0.00 0.51 0.00 0.00 43.02 42.39 2qie s PHE 4 CO 0.80 -0.64 0.23 -2.00 0.70 0.00 0.00 175.22 174.31 2qie s GLU 5 N 1.60 0.24 -0.10 0.44 2.12 -0.68 -4.93 118.70 117.39 2qie s GLU 5 Ca -0.00 0.38 -0.02 0.00 0.36 0.00 0.00 54.97 55.70 2qie s GLU 5 Cb -0.16 0.04 -0.03 0.00 0.26 0.00 0.00 34.13 34.24 2qie s GLU 5 CO -0.08 -0.08 -0.03 0.42 -0.54 0.00 0.00 175.26 174.96 2qie s ILE 6 N 0.50 4.00 0.17 -3.70 -1.09 -1.26 -1.69 121.20 118.13 2qie s ILE 6 Ca -0.03 -0.35 0.01 0.00 -2.23 0.00 0.00 60.65 58.05 2qie s ILE 6 Cb -0.05 -2.69 -0.04 0.00 -1.58 0.00 0.00 42.46 38.10 2qie s ILE 6 CO -0.03 0.57 0.03 0.68 -1.23 0.00 0.00 174.94 174.96 2qie s VAL 7 N -0.49 0.49 -0.09 2.92 -7.23 -0.72 -4.96 120.40 110.31 2qie s VAL 7 Ca 0.08 -1.96 0.06 0.00 -1.81 0.00 0.00 61.98 58.35 2qie s VAL 7 Cb -0.12 -2.13 -0.09 0.00 0.56 0.00 0.00 36.38 34.60 2qie s VAL 7 CO 0.02 -0.44 -0.01 -0.38 -0.31 0.00 0.00 175.10 173.98 2qie n ILE 8 N -0.21 0.59 -2.33 -0.62 5.41 -1.26 -1.55 119.36 119.39 2qie n ILE 8 Ca -0.06 -0.32 -0.34 0.00 1.00 0.00 0.00 62.75 63.03 2qie n ILE 8 Cb 0.64 -0.81 -0.01 0.00 -0.71 0.00 0.00 39.64 38.75 2qie n ILE 8 CO 0.00 0.00 0.00 -0.70 0.00 0.00 0.00 176.55 175.85 2qie s GLU 9 N -2.21 3.51 0.36 0.38 2.56 -1.26 -4.78 118.70 117.27 2qie s GLU 9 Ca -0.07 1.44 -0.28 0.00 0.00 0.00 0.00 54.97 56.06 2qie s GLU 9 Cb 0.03 -2.04 -0.11 0.00 2.00 0.00 0.00 34.13 34.00 2qie s GLU 9 CO 0.32 -0.69 1.50 -0.35 -0.56 0.00 0.00 175.26 175.48 2qie n PRO 10 N -1.31 2.67 -2.29 4.30 -0.04 -1.26 -4.90 135.00 132.16 2qie n PRO 10 Ca 0.10 0.94 -0.43 0.00 -0.04 0.00 0.00 63.50 64.07 2qie n PRO 10 Cb 0.52 -2.67 -0.02 0.00 -0.04 0.00 0.00 33.50 31.28 2qie n PRO 10 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 2qie s ILE 11 N -0.96 4.06 -0.14 0.52 1.01 -1.26 -5.01 121.20 119.42 2qie s ILE 11 Ca 0.55 1.29 -0.20 0.00 0.00 0.00 0.00 60.65 62.28 2qie s ILE 11 Cb -0.48 -3.83 -0.03 0.00 0.01 0.00 0.00 42.46 38.12 2qie s ILE 11 CO 0.62 -0.11 0.58 -1.10 0.00 0.00 0.00 174.94 174.92 2qie s GLN 12 N 3.63 4.31 -0.18 2.79 -0.21 -1.26 -5.00 119.66 123.74 2qie s GLN 12 Ca 0.61 0.59 -0.16 0.00 0.02 0.00 0.00 55.36 56.41 2qie s GLN 12 Cb -0.25 -3.50 -0.13 0.00 1.00 0.00 0.00 33.01 30.13 2qie s GLN 12 CO 0.19 -0.02 0.08 1.79 -2.12 0.00 0.00 175.29 175.22 2qie h THR 13 N 4.91 0.57 -0.88 -0.19 1.35 -2.04 -3.41 112.91 113.23 2qie h THR 13 Ca -0.37 -1.70 0.19 0.00 -0.55 0.00 0.00 66.41 63.97 2qie h THR 13 Cb 1.17 1.35 -0.17 0.00 -1.73 0.00 0.00 68.15 68.78 2qie h THR 13 CO 0.76 0.19 -0.18 -0.62 -0.25 0.00 0.00 175.52 175.42 2qie n GLU 14 N -4.52 -0.08 -0.26 4.72 1.02 -1.26 -1.60 120.64 118.67 2qie n GLU 14 Ca -0.21 1.36 0.18 0.00 -0.02 0.00 0.00 57.16 58.48 2qie n GLU 14 Cb 0.49 -2.05 0.49 0.00 -0.02 0.00 0.00 31.44 30.35 2qie n GLU 14 CO 0.00 0.00 0.00 -0.56 1.18 0.00 0.00 177.13 177.75 2qie h GLN 15 N 0.00 0.43 -0.33 3.49 3.07 -2.00 -1.86 115.11 117.92 2qie h GLN 15 Ca 0.44 -0.03 -0.10 0.00 0.09 0.00 0.00 58.65 59.06 2qie h GLN 15 Cb 0.72 -0.10 -0.01 0.00 0.08 0.00 0.00 27.48 28.17 2qie h GLN 15 CO -0.89 0.29 -0.18 1.88 0.09 0.00 0.00 178.83 180.02 2qie h TYR 16 N 0.45 0.80 0.13 0.06 -1.99 -1.57 0.73 116.97 115.58 2qie h TYR 16 Ca 0.48 -0.20 0.01 0.00 2.00 0.00 0.00 58.73 61.02 2qie h TYR 16 Cb 1.14 -0.18 -0.03 0.00 2.00 0.00 0.00 36.73 39.66 2qie h TYR 16 CO -0.00 0.91 -0.21 -0.09 -0.00 0.00 0.00 178.16 178.77 2qie h ARG 17 N 0.46 -0.40 -0.98 4.88 2.43 -1.47 -3.05 114.38 116.25 2qie h ARG 17 Ca 0.07 0.03 0.09 0.00 -0.81 0.00 0.00 59.98 59.36 2qie h ARG 17 Cb 0.71 0.09 -0.07 0.00 -0.42 0.00 0.00 29.97 30.28 2qie h ARG 17 CO 0.05 -0.26 0.63 0.93 -1.51 0.00 0.00 179.97 179.81 2qie h GLU 18 N -0.41 1.03 -0.90 0.20 4.39 -1.11 -0.99 114.58 116.78 2qie h GLU 18 Ca 0.02 -0.06 0.08 0.00 0.34 0.00 0.00 59.36 59.74 2qie h GLU 18 Cb 0.42 -0.23 -0.06 0.00 -0.10 0.00 0.00 28.75 28.78 2qie h GLU 18 CO -0.11 0.68 0.58 0.35 -1.16 0.00 0.00 179.01 179.36 2qie h PHE 19 N 1.06 1.01 -0.00 4.33 3.57 -0.75 -2.54 116.94 123.61 2qie h PHE 19 Ca 0.45 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.98 2qie h PHE 19 Cb 0.33 -0.33 0.00 0.00 2.79 0.00 0.00 35.95 38.74 2qie h PHE 19 CO -0.00 0.49 -0.14 0.25 -2.23 0.00 0.00 178.31 176.68 2qie n THR 20 N -4.52 0.00 -3.03 4.41 -2.24 -0.39 -4.90 114.28 103.62 2qie n THR 20 Ca 0.15 -0.03 -0.39 0.00 -2.27 0.00 0.00 64.05 61.50 2qie n THR 20 Cb 0.26 -0.18 -0.06 0.00 -2.10 0.00 0.00 70.33 68.26 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 -2.72 4.59 0.35 2.28 -1.09 -0.96 -4.68 121.20 118.97 2qie s ILE 21 Ca 0.22 1.59 -0.13 0.00 -2.23 0.00 0.00 60.65 60.10 2qie s ILE 21 Cb 0.19 -4.09 0.03 0.00 -1.58 0.00 0.00 42.46 37.01 2qie s ILE 21 CO 0.53 0.45 0.68 0.54 -1.23 0.00 0.00 174.94 175.91 2qie s ASN 22 N -0.62 0.15 0.60 3.58 2.20 -1.26 -5.04 114.94 114.54 2qie s ASN 22 Ca 0.36 -1.11 0.37 0.00 -0.94 0.00 0.00 52.86 51.54 2qie s ASN 22 Cb -0.21 0.77 1.88 0.00 -2.00 0.00 0.00 41.25 41.69 2qie s ASN 22 CO 0.24 -1.50 2.19 1.05 -2.94 0.00 0.00 177.10 176.14 2qie h GLU 23 N 2.05 0.00 0.00 3.55 9.09 -2.04 -1.11 114.58 126.12 2qie h GLU 23 Ca -0.29 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.12 2qie h GLU 23 Cb 1.25 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.35 2qie h GLU 23 CO 0.37 0.03 -0.00 1.88 0.05 0.00 0.00 179.01 181.33 2qie h TYR 24 N 0.00 0.00 -3.06 2.06 -1.99 -2.00 -3.46 116.97 108.52 2qie h TYR 24 Ca -0.00 0.00 -0.61 0.00 2.00 0.00 0.00 58.73 60.12 2qie h TYR 24 Cb 0.23 0.00 -0.07 0.00 2.00 0.00 0.00 36.73 38.88 2qie h TYR 24 CO 0.00 0.00 -0.28 -0.65 -0.00 0.00 0.00 178.16 177.23 2qie s GLN 25 N -3.15 3.98 -0.00 4.88 -1.52 -0.42 -4.23 119.66 119.20 2qie s GLN 25 Ca 0.09 0.24 0.08 0.00 -1.95 0.00 0.00 55.36 53.82 2qie s GLN 25 Cb 0.09 -3.30 -0.10 0.00 -0.22 0.00 0.00 33.01 29.49 2qie s GLN 25 CO 0.63 0.52 0.28 0.41 -0.25 0.00 0.00 175.29 176.88 2qie n GLY 26 N 2.44 0.03 2.93 3.09 0.00 -0.57 -4.82 105.19 108.30 2qie n GLY 26 Ca -0.14 -0.21 -0.12 0.00 0.00 0.00 0.00 46.02 45.55 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 -2.03 0.18 -0.02 4.61 0.00 -0.55 -4.94 121.76 119.01 2qie s ALA 27 Ca 0.01 -0.26 0.03 0.00 0.00 0.00 0.00 51.96 51.74 2qie s ALA 27 Cb 0.06 0.02 -0.01 0.00 0.00 0.00 0.00 23.12 23.19 2qie s ALA 27 CO 0.33 -0.02 -0.12 0.08 0.00 0.00 0.00 175.76 176.03 2qie s VAL 28 N -0.51 0.95 -0.14 0.00 1.01 -1.26 -0.84 120.40 119.60 2qie s VAL 28 Ca -0.04 -0.49 0.02 0.00 0.00 0.00 0.00 61.98 61.46 2qie s VAL 28 Cb -0.04 -0.81 0.02 0.00 0.00 0.00 0.00 36.38 35.55 2qie s VAL 28 CO -0.00 0.28 -0.18 -0.69 0.00 0.00 0.00 175.10 174.50 2qie s VAL 29 N -0.12 1.80 -0.15 2.92 1.01 0.06 -5.00 120.40 120.93 2qie s VAL 29 Ca 0.02 -0.81 -0.00 0.00 0.00 0.00 0.00 61.98 61.19 2qie s VAL 29 Cb -0.06 -1.63 -0.01 0.00 0.00 0.00 0.00 36.38 34.68 2qie s VAL 29 CO 0.00 0.50 -0.14 -0.69 0.00 0.00 0.00 175.10 174.77 2qie s VAL 30 N 1.06 2.88 -0.14 2.92 1.01 -1.26 -1.53 120.40 125.34 2qie s VAL 30 Ca -0.03 -0.71 -0.04 0.00 0.00 0.00 0.00 61.98 61.20 2qie s VAL 30 Cb -0.14 -2.22 -0.03 0.00 0.00 0.00 0.00 36.38 33.98 2qie s VAL 30 CO -0.05 0.51 0.01 0.12 0.00 0.00 0.00 175.10 175.69 2qie s PHE 31 N 0.64 3.15 -0.10 5.22 5.36 0.46 -4.97 117.98 127.75 2qie s PHE 31 Ca -0.07 0.00 0.03 0.00 -0.96 0.00 0.00 56.93 55.93 2qie s PHE 31 Cb -0.16 -1.93 0.01 0.00 -0.34 0.00 0.00 43.02 40.60 2qie s PHE 31 CO 0.03 0.22 -0.20 0.95 -1.46 0.00 0.00 175.22 174.75 2qie s THR 32 N -0.12 1.80 -0.20 0.12 -4.23 -1.26 -1.31 115.64 110.43 2qie s THR 32 Ca 0.05 -0.86 -0.17 0.00 -1.18 0.00 0.00 61.69 59.52 2qie s THR 32 Cb -0.13 -1.58 -0.03 0.00 1.34 0.00 0.00 72.50 72.10 2qie s THR 32 CO 0.02 0.50 0.47 -0.83 -0.54 0.00 0.00 174.62 174.24 2qie s GLY 33 N 0.50 2.07 -0.03 3.99 0.00 -0.58 -5.00 107.32 108.27 2qie s GLY 33 Ca -0.16 -0.46 0.05 0.00 0.00 0.00 0.00 44.72 44.15 2qie s GLY 33 CO 0.06 0.99 -0.19 0.30 0.00 0.00 0.00 173.10 174.26 2qie s HIS 34 N 1.55 2.56 0.02 1.90 3.76 -1.26 -0.80 115.29 123.01 2qie s HIS 34 Ca 0.22 -0.26 -0.30 0.00 -0.15 0.00 0.00 55.06 54.57 2qie s HIS 34 Cb -0.15 -1.57 -0.08 0.00 1.11 0.00 0.00 32.58 31.88 2qie s HIS 34 CO 0.09 0.11 1.92 0.08 -0.85 0.00 0.00 174.74 176.10 2qie s VAL 35 N -0.70 3.11 -0.09 -0.90 1.01 -0.64 -4.78 120.40 117.41 2qie s VAL 35 Ca 0.11 0.13 -0.15 0.00 0.00 0.00 0.00 61.98 62.07 2qie s VAL 35 Cb -0.10 -3.09 -0.05 0.00 0.00 0.00 0.00 36.38 33.14 2qie s VAL 35 CO 0.00 -0.01 0.39 -0.60 0.00 0.00 0.00 175.10 174.88 2qie s ARG 36 N 4.44 4.13 0.02 2.72 3.52 -1.26 0.35 118.95 132.87 2qie s ARG 36 Ca 0.86 0.31 -0.19 0.00 -0.13 0.00 0.00 55.73 56.59 2qie s ARG 36 Cb -0.41 -3.35 -0.23 0.00 -1.56 0.00 0.00 34.95 29.40 2qie s ARG 36 CO 0.39 0.39 1.13 1.49 -0.81 0.00 0.00 175.30 177.89 2qie h GLU 37 N 5.93 0.47 -5.01 5.12 4.81 -1.93 -3.44 114.58 120.53 2qie h GLU 37 Ca -0.45 -0.50 -0.66 0.00 -0.13 0.00 0.00 59.36 57.62 2qie h GLU 37 Cb 1.19 0.14 -0.30 0.00 0.63 0.00 0.00 28.75 30.40 2qie h GLU 37 CO 0.70 1.14 -0.77 -1.58 -0.73 0.00 0.00 179.01 177.77 2qie s TRP 38 N -3.26 2.90 -0.31 0.92 0.51 -1.26 0.16 118.94 118.60 2qie s TRP 38 Ca -0.13 -1.22 -0.00 0.00 -2.12 0.00 0.00 56.10 52.63 2qie s TRP 38 Cb 0.04 -2.04 0.07 0.00 -0.81 0.00 0.00 33.47 30.73 2qie s TRP 38 CO 0.84 -0.65 0.01 0.99 -0.51 0.00 0.00 176.95 177.64 2qie s THR 39 N 1.40 2.76 -1.37 2.01 2.01 -0.42 -4.80 115.64 117.24 2qie s THR 39 Ca 0.05 -1.68 -0.02 0.00 0.31 0.00 0.00 61.69 60.35 2qie s THR 39 Cb -0.14 -2.71 -0.00 0.00 0.01 0.00 0.00 72.50 69.66 2qie s THR 39 CO -0.07 -0.25 0.49 0.29 -0.69 0.00 0.00 174.62 174.39 2qie n LYS 40 N 4.53 -3.27 0.00 4.92 5.02 -1.26 -1.16 118.16 126.93 2qie n LYS 40 Ca -0.09 0.43 0.00 0.00 -2.02 0.00 0.00 58.31 56.63 2qie n LYS 40 Cb 0.43 -4.55 0.00 0.00 -0.02 0.00 0.00 35.03 30.89 2qie n LYS 40 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2qie n GLY 41 N -1.91 3.06 3.69 0.72 0.00 -1.26 -5.03 105.19 104.46 2qie n GLY 41 Ca -0.29 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.36 2qie n GLY 41 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2qie s VAL 42 N -2.20 5.28 0.45 1.61 1.01 -0.31 -5.06 120.40 121.19 2qie s VAL 42 Ca 0.00 0.50 -0.19 0.00 0.00 0.00 0.00 61.98 62.29 2qie s VAL 42 Cb 0.00 -3.63 -0.10 0.00 0.00 0.00 0.00 36.38 32.66 2qie s VAL 42 CO 0.00 0.33 0.94 -0.75 0.00 0.00 0.00 175.10 175.62 2qie s LYS 43 N 0.94 4.09 -0.09 2.72 2.20 -1.26 -1.30 119.74 127.03 2qie s LYS 43 Ca 0.15 1.00 0.02 0.00 -0.36 0.00 0.00 55.97 56.78 2qie s LYS 43 Cb -0.14 -2.19 0.02 0.00 -1.51 0.00 0.00 37.83 34.01 2qie s LYS 43 CO 0.05 -0.11 -0.13 0.99 -0.36 0.00 0.00 175.35 175.80 2qie s THR 44 N -2.34 1.30 -0.07 3.43 2.01 0.12 -4.95 115.64 115.15 2qie s THR 44 Ca 0.60 -0.53 -0.22 0.00 0.31 0.00 0.00 61.69 61.85 2qie s THR 44 Cb -0.09 -1.20 -0.18 0.00 0.01 0.00 0.00 72.50 71.04 2qie s THR 44 CO 0.21 0.40 0.84 -0.33 -0.69 0.00 0.00 174.62 175.05 2qie h GLU 45 N 7.36 -0.11 -2.56 4.92 5.08 -1.77 -3.45 114.58 124.05 2qie h GLU 45 Ca -0.31 0.01 0.13 0.00 -1.00 0.00 0.00 59.36 58.20 2qie h GLU 45 Cb 1.17 0.03 -0.05 0.00 0.50 0.00 0.00 28.75 30.40 2qie h GLU 45 CO 0.47 0.42 0.48 1.52 -1.00 0.00 0.00 179.01 180.90 2qie s TYR 46 N -3.13 -0.00 0.14 4.33 -0.85 -1.26 -4.80 117.35 111.78 2qie s TYR 46 Ca -0.14 -0.41 0.09 0.00 -0.52 0.00 0.00 57.07 56.10 2qie s TYR 46 Cb -0.00 0.70 -0.04 0.00 0.38 0.00 0.00 41.96 43.00 2qie s TYR 46 CO 0.52 -1.01 -0.17 -0.51 -1.52 0.00 0.00 175.55 172.85 2qie s LEU 47 N -3.16 2.71 -0.03 -3.49 1.43 -1.11 -1.52 118.68 113.50 2qie s LEU 47 Ca 0.17 -0.61 0.03 0.00 -1.03 0.00 0.00 54.13 52.68 2qie s LEU 47 Cb -0.03 -1.50 0.00 0.00 0.03 0.00 0.00 46.19 44.69 2qie s LEU 47 CO 0.05 0.15 -0.10 -1.61 0.23 0.00 0.00 176.35 175.07 2qie s GLU 48 N -2.36 1.16 0.12 1.70 2.02 -1.06 -0.14 118.70 120.15 2qie s GLU 48 Ca 0.20 -0.35 0.07 0.00 0.02 0.00 0.00 54.97 54.90 2qie s GLU 48 Cb -0.10 -1.05 -0.04 0.00 0.10 0.00 0.00 34.13 33.04 2qie s GLU 48 CO 0.11 0.11 -0.05 0.71 0.02 0.00 0.00 175.26 176.16 2qie s TYR 49 N 0.26 2.81 0.24 1.61 1.51 -0.53 -1.96 117.35 121.30 2qie s TYR 49 Ca -0.05 -0.13 -0.09 0.00 -1.01 0.00 0.00 57.07 55.80 2qie s TYR 49 Cb -0.10 -1.43 -0.02 0.00 -0.11 0.00 0.00 41.96 40.30 2qie s TYR 49 CO 0.01 0.47 0.37 -1.83 -1.11 0.00 0.00 175.55 173.45 2qie s GLU 50 N -2.44 1.45 0.04 -0.62 -1.05 -0.51 -0.33 118.70 115.24 2qie s GLU 50 Ca 0.24 -1.39 -0.24 0.00 -0.15 0.00 0.00 54.97 53.42 2qie s GLU 50 Cb -0.11 0.41 0.06 0.00 -0.44 0.00 0.00 34.13 34.05 2qie s GLU 50 CO 0.16 -0.57 0.57 0.00 0.95 0.00 0.00 175.26 176.37 2qie s ALA 51 N -4.02 -1.47 -0.98 -0.84 0.00 -1.26 -1.11 121.76 112.08 2qie s ALA 51 Ca 0.28 0.76 -0.17 0.00 0.00 0.00 0.00 51.96 52.83 2qie s ALA 51 Cb 0.02 0.35 0.15 0.00 0.00 0.00 0.00 23.12 23.64 2qie s ALA 51 CO 0.10 -0.50 1.15 -0.47 0.00 0.00 0.00 175.76 176.04 2qie s TYR 52 N -2.28 3.31 0.08 0.00 5.04 -1.05 -4.96 117.35 117.49 2qie s TYR 52 Ca -0.06 -1.65 -0.30 0.00 -2.44 0.00 0.00 57.07 52.62 2qie s TYR 52 Cb -0.01 -4.22 -0.13 0.00 0.35 0.00 0.00 41.96 37.95 2qie s TYR 52 CO -0.00 -1.39 1.46 0.82 -1.34 0.00 0.00 175.55 175.10 2qie h ILE 53 N 5.41 0.00 -0.83 3.14 2.04 -1.97 0.43 117.51 125.72 2qie h ILE 53 Ca 0.18 0.00 0.13 0.00 1.00 0.00 0.00 64.86 66.17 2qie h ILE 53 Cb 0.99 0.00 -0.06 0.00 -0.74 0.00 0.00 36.82 37.01 2qie h ILE 53 CO 1.09 0.00 0.54 1.55 0.00 0.00 0.00 178.15 181.33 2qie h PRO 54 N -0.74 0.63 0.06 2.37 0.13 -2.00 0.42 132.00 132.87 2qie h PRO 54 Ca -0.03 -0.04 -0.24 0.00 -0.87 0.00 0.00 66.00 64.82 2qie h PRO 54 Cb 0.69 -0.14 0.00 0.00 0.13 0.00 0.00 31.00 31.68 2qie h PRO 54 CO -0.15 0.42 -1.06 1.98 -0.23 0.00 0.00 178.00 178.95 2qie h MET 55 N 0.65 0.34 -0.02 0.86 1.85 -1.85 -2.69 114.93 114.08 2qie h MET 55 Ca 0.41 -0.44 0.01 0.00 -0.61 0.00 0.00 59.70 59.06 2qie h MET 55 Cb 0.66 0.14 -0.01 0.00 0.43 0.00 0.00 31.60 32.82 2qie h MET 55 CO -0.17 1.14 -0.04 0.00 -0.40 0.00 0.00 176.91 177.45 2qie h ALA 56 N 0.69 -0.02 -0.56 0.39 0.00 0.14 -0.93 119.26 118.97 2qie h ALA 56 Ca -0.10 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.80 2qie h ALA 56 Cb 1.73 0.08 -0.03 0.00 0.00 0.00 0.00 17.79 19.57 2qie h ALA 56 CO 0.18 -0.53 0.25 0.93 0.00 0.00 0.00 179.25 180.08 2qie h GLU 57 N -0.06 0.79 -0.46 0.00 5.08 -1.06 -0.88 114.58 117.99 2qie h GLU 57 Ca 0.02 -0.10 -0.01 0.00 -1.00 0.00 0.00 59.36 58.26 2qie h GLU 57 Cb 0.09 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 29.18 2qie h GLU 57 CO -0.06 0.63 0.23 0.87 -1.00 0.00 0.00 179.01 179.68 2qie h LYS 58 N 0.79 0.65 -0.56 2.33 1.57 -1.22 -2.33 116.57 117.80 2qie h LYS 58 Ca 0.19 -0.09 -0.11 0.00 -1.87 0.00 0.00 60.65 58.78 2qie h LYS 58 Cb 0.11 -0.12 -0.02 0.00 0.08 0.00 0.00 32.23 32.28 2qie h LYS 58 CO -0.02 0.54 -0.08 0.87 -0.57 0.00 0.00 179.45 180.19 2qie h LYS 59 N 0.60 1.03 -0.78 3.15 1.79 -0.63 -0.50 116.57 121.24 2qie h LYS 59 Ca 0.16 -0.36 0.01 0.00 -2.18 0.00 0.00 60.65 58.28 2qie h LYS 59 Cb 0.09 -0.07 -0.04 0.00 -1.58 0.00 0.00 32.23 30.63 2qie h LYS 59 CO -0.02 1.05 0.51 -0.07 -1.08 0.00 0.00 179.45 179.84 2qie h LEU 60 N 0.92 0.88 -1.18 2.94 3.38 -1.15 -1.03 115.31 120.06 2qie h LEU 60 Ca 0.15 -0.02 -0.06 0.00 0.09 0.00 0.00 57.88 58.04 2qie h LEU 60 Cb 0.64 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 41.16 2qie h LEU 60 CO 0.04 0.63 -0.03 0.00 0.09 0.00 0.00 178.44 179.17 2qie h ALA 61 N 1.29 1.33 -0.39 1.53 0.00 -1.02 -2.05 119.26 119.96 2qie h ALA 61 Ca 0.29 -0.22 -0.08 0.00 0.00 0.00 0.00 54.91 54.90 2qie h ALA 61 Cb -0.10 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.53 2qie h ALA 61 CO -0.07 0.46 -0.07 0.37 0.00 0.00 0.00 179.25 179.93 2qie h GLN 62 N 0.50 0.65 -0.31 0.00 4.15 -0.42 -1.68 115.11 118.00 2qie h GLN 62 Ca 0.10 -0.19 -0.10 0.00 0.77 0.00 0.00 58.65 59.24 2qie h GLN 62 Cb 0.37 -0.07 -0.01 0.00 0.21 0.00 0.00 27.48 27.98 2qie h GLN 62 CO 0.02 0.72 -0.23 0.82 -1.93 0.00 0.00 178.83 178.23 2qie h ILE 63 N 0.60 1.27 -0.73 2.39 2.04 -0.57 -1.26 117.51 121.24 2qie h ILE 63 Ca 0.11 -1.27 -0.05 0.00 1.00 0.00 0.00 64.86 64.65 2qie h ILE 63 Cb 0.49 1.28 -0.03 0.00 -0.74 0.00 0.00 36.82 37.82 2qie h ILE 63 CO 0.03 0.41 0.26 1.23 0.00 0.00 0.00 178.15 180.07 2qie h GLY 64 N 1.00 1.19 1.52 5.37 0.00 -0.94 -1.02 103.07 110.19 2qie h GLY 64 Ca 0.08 -0.68 -0.07 0.00 0.00 0.00 0.00 47.33 46.65 2qie h GLY 64 CO 0.05 0.64 -0.09 -0.55 0.00 0.00 0.00 176.54 176.59 2qie h ASP 65 N 1.06 0.56 -0.24 0.19 5.19 -0.99 -0.33 116.42 121.86 2qie h ASP 65 Ca 0.24 -0.14 -0.11 0.00 -0.62 0.00 0.00 57.03 56.40 2qie h ASP 65 Cb 0.26 -0.15 -0.00 0.00 0.18 0.00 0.00 39.33 39.62 2qie h ASP 65 CO -0.01 0.69 -0.28 -0.33 -3.12 0.00 0.00 179.24 176.19 2qie h GLU 66 N 0.54 0.62 -0.60 3.56 5.08 -0.97 -2.90 114.58 119.90 2qie h GLU 66 Ca 0.10 -0.34 -0.01 0.00 -1.00 0.00 0.00 59.36 58.11 2qie h GLU 66 Cb 0.48 0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.72 2qie h GLU 66 CO 0.03 0.94 0.32 0.82 -1.00 0.00 0.00 179.01 180.12 2qie h ILE 67 N 0.33 1.20 0.00 3.13 2.04 -0.98 -1.10 117.51 122.12 2qie h ILE 67 Ca 0.03 -0.51 -0.00 0.00 1.00 0.00 0.00 64.86 65.38 2qie h ILE 67 Cb 0.85 0.44 -0.00 0.00 -0.74 0.00 0.00 36.82 37.36 2qie h ILE 67 CO 0.07 0.22 -0.01 -1.13 0.00 0.00 0.00 178.15 177.30 2qie h ASN 68 N 0.82 0.00 0.08 1.72 -1.24 -1.08 -0.86 115.58 115.02 2qie h ASN 68 Ca 0.21 0.00 -0.15 0.00 0.71 0.00 0.00 56.30 57.07 2qie h ASN 68 Cb 0.06 0.00 0.01 0.00 0.73 0.00 0.00 38.32 39.11 2qie h ASN 68 CO -0.03 0.01 -0.71 -0.08 -1.29 0.00 0.00 177.43 175.33 2qie h GLU 69 N 0.00 0.18 0.00 6.67 4.22 -1.19 -3.13 114.58 121.32 2qie h GLU 69 Ca -0.00 -0.30 -0.12 0.00 0.08 0.00 0.00 59.36 59.02 2qie h GLU 69 Cb 0.01 0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.36 2qie h GLU 69 CO 0.00 1.15 -0.55 0.87 -2.18 0.00 0.00 179.01 178.30 2qie h LYS 70 N -0.60 0.00 -2.50 1.92 1.57 -1.11 -3.38 116.57 112.48 2qie h LYS 70 Ca -0.14 0.00 -0.59 0.00 -1.87 0.00 0.00 60.65 58.05 2qie h LYS 70 Cb 1.45 0.00 -0.39 0.00 0.08 0.00 0.00 32.23 33.37 2qie h LYS 70 CO 0.06 0.55 -0.91 -1.58 -0.57 0.00 0.00 179.45 177.01 2qie s TRP 71 N -3.20 1.25 0.39 -1.35 0.51 -0.34 -5.10 118.94 111.10 2qie s TRP 71 Ca 0.02 -2.26 -0.27 0.00 -2.12 0.00 0.00 56.10 51.46 2qie s TRP 71 Cb 0.10 -1.10 -0.10 0.00 -0.81 0.00 0.00 33.47 31.56 2qie s TRP 71 CO 0.74 -0.80 1.38 -1.25 -0.51 0.00 0.00 176.95 176.50 2qie s PRO 72 N 0.17 4.06 0.00 4.98 0.04 -1.18 -3.16 135.00 139.90 2qie s PRO 72 Ca 0.28 2.33 0.00 0.00 0.04 0.00 0.00 61.00 63.65 2qie s PRO 72 Cb -0.04 -2.88 0.00 0.00 0.04 0.00 0.00 34.50 31.62 2qie s PRO 72 CO -0.14 -0.48 0.00 0.41 0.04 0.00 0.00 177.00 176.83 2qie n GLY 73 N 0.63 1.65 3.90 0.56 0.00 -1.26 -5.01 105.19 105.65 2qie n GLY 73 Ca 0.02 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.76 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 -2.27 4.87 -0.04 2.61 -4.23 -1.19 -4.45 115.64 110.95 2qie s THR 74 Ca 0.00 0.33 0.02 0.00 -1.18 0.00 0.00 61.69 60.87 2qie s THR 74 Cb 0.00 -3.85 0.01 0.00 1.34 0.00 0.00 72.50 70.00 2qie s THR 74 CO 0.00 -0.83 -0.10 -0.63 -0.54 0.00 0.00 174.62 172.52 2qie s ILE 75 N -2.73 0.88 0.03 2.99 1.01 -0.93 -4.88 121.20 117.57 2qie s ILE 75 Ca 0.49 -0.37 0.07 0.00 0.00 0.00 0.00 60.65 60.83 2qie s ILE 75 Cb -0.10 -0.80 -0.02 0.00 0.01 0.00 0.00 42.46 41.54 2qie s ILE 75 CO 0.44 0.28 -0.19 -0.89 0.00 0.00 0.00 174.94 174.58 2qie s THR 76 N 0.43 1.55 -0.02 2.92 2.01 -1.26 -1.20 115.64 120.07 2qie s THR 76 Ca -0.08 -1.10 -0.01 0.00 0.31 0.00 0.00 61.69 60.81 2qie s THR 76 Cb -0.12 -1.35 0.01 0.00 0.01 0.00 0.00 72.50 71.06 2qie s THR 76 CO 0.01 0.21 0.04 -0.55 -0.69 0.00 0.00 174.62 173.64 2qie s SER 77 N -1.05 -0.02 -0.01 3.53 0.15 0.50 -4.92 113.70 111.89 2qie s SER 77 Ca 0.07 0.08 0.01 0.00 0.70 0.00 0.00 55.95 56.81 2qie s SER 77 Cb -0.08 0.05 0.00 0.00 -1.71 0.00 0.00 66.02 64.27 2qie s SER 77 CO 0.01 -0.05 -0.05 -0.63 1.20 0.00 0.00 173.24 173.73 2qie s ILE 78 N 0.34 0.41 -0.01 6.45 1.01 -0.33 -0.81 121.20 128.26 2qie s ILE 78 Ca -0.03 -0.19 -0.01 0.00 0.00 0.00 0.00 60.65 60.42 2qie s ILE 78 Cb -0.04 -0.37 0.01 0.00 0.01 0.00 0.00 42.46 42.07 2qie s ILE 78 CO -0.01 0.13 0.03 0.54 0.00 0.00 0.00 174.94 175.63 2qie s VAL 79 N 0.06 -0.01 -0.05 2.92 0.11 -0.67 -1.69 120.40 121.07 2qie s VAL 79 Ca -0.00 0.02 0.02 0.00 -2.93 0.00 0.00 61.98 59.09 2qie s VAL 79 Cb -0.04 -0.06 0.02 0.00 -1.53 0.00 0.00 36.38 34.77 2qie s VAL 79 CO -0.00 0.01 -0.07 -2.28 -3.33 0.00 0.00 175.10 169.42 2qie s HIS 80 N 0.14 0.97 0.21 1.54 2.46 -0.68 -0.97 115.29 118.95 2qie s HIS 80 Ca -0.01 -0.30 -0.04 0.00 0.47 0.00 0.00 55.06 55.18 2qie s HIS 80 Cb -0.02 -0.77 -0.05 0.00 -0.13 0.00 0.00 32.58 31.61 2qie s HIS 80 CO -0.00 -0.20 0.45 0.50 -2.47 0.00 0.00 174.74 173.02 2qie s ARG 81 N 0.74 3.61 0.39 2.88 3.52 0.52 -1.76 118.95 128.86 2qie s ARG 81 Ca -0.12 -0.09 0.04 0.00 -0.13 0.00 0.00 55.73 55.42 2qie s ARG 81 Cb -0.14 -2.76 -0.01 0.00 -1.56 0.00 0.00 34.95 30.47 2qie s ARG 81 CO 0.01 0.35 0.13 0.44 -0.81 0.00 0.00 175.30 175.43 2qie n ILE 82 N -0.47 0.00 -2.06 4.11 -5.35 -0.59 -4.87 119.36 110.12 2qie n ILE 82 Ca -0.03 -2.25 0.00 0.00 -0.27 0.00 0.00 62.75 60.21 2qie n ILE 82 Cb 0.53 0.79 0.00 0.00 -1.74 0.00 0.00 39.64 39.22 2qie n ILE 82 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2qie n GLY 83 N -0.63 -2.06 3.74 3.28 0.00 0.56 -4.71 105.19 105.36 2qie n GLY 83 Ca -0.06 -1.71 -0.41 0.00 0.00 0.00 0.00 46.02 43.84 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 -0.11 4.49 -0.05 1.61 0.04 -1.26 -1.45 135.00 138.27 2qie s PRO 84 Ca 0.00 1.87 0.03 0.00 0.04 0.00 0.00 61.00 62.94 2qie s PRO 84 Cb 0.00 -3.24 0.00 0.00 0.04 0.00 0.00 34.50 31.30 2qie s PRO 84 CO 0.00 -0.09 -0.14 -0.51 0.04 0.00 0.00 177.00 176.30 2qie s LEU 85 N -0.21 1.79 0.55 -3.56 1.02 0.80 -4.98 118.68 114.09 2qie s LEU 85 Ca 0.53 -0.30 -0.05 0.00 0.02 0.00 0.00 54.13 54.32 2qie s LEU 85 Cb -0.33 -0.84 -0.00 0.00 0.02 0.00 0.00 46.19 45.04 2qie s LEU 85 CO 0.36 0.09 0.86 -1.10 0.02 0.00 0.00 176.35 176.58 2qie s GLN 86 N 0.32 3.07 0.12 1.70 -1.52 -1.26 -2.75 119.66 119.33 2qie s GLN 86 Ca -0.08 -0.01 -0.35 0.00 -1.95 0.00 0.00 55.36 52.97 2qie s GLN 86 Cb -0.13 -2.32 -0.17 0.00 -0.22 0.00 0.00 33.01 30.18 2qie s GLN 86 CO 0.03 -0.55 1.20 -0.89 -0.25 0.00 0.00 175.29 174.83 2qie n ILE 87 N -2.47 0.49 -0.83 1.08 2.08 -1.26 -1.71 119.36 116.74 2qie n ILE 87 Ca 0.03 -0.12 0.00 0.00 0.56 0.00 0.00 62.75 63.22 2qie n ILE 87 Cb 0.57 -0.73 0.00 0.00 -0.75 0.00 0.00 39.64 38.73 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 2.17 0.00 -4.77 4.38 7.64 0.16 -4.90 113.62 118.29 2qie n SER 88 Ca 0.17 0.00 -0.34 0.00 1.01 0.00 0.00 58.87 59.70 2qie n SER 88 Cb 0.21 -0.74 0.02 0.00 -1.01 0.00 0.00 64.21 62.68 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 -2.72 5.52 -0.39 6.43 1.11 -0.69 -4.54 116.67 121.39 2qie s ASP 89 Ca 0.00 2.13 -0.26 0.00 0.18 0.00 0.00 52.55 54.61 2qie s ASP 89 Cb 0.00 -2.57 0.02 0.00 1.07 0.00 0.00 42.92 41.44 2qie s ASP 89 CO 0.00 -1.35 0.94 -0.63 1.18 0.00 0.00 175.17 175.30 2qie s ILE 90 N -1.93 4.54 0.05 0.77 1.01 -1.26 -1.62 121.20 122.76 2qie s ILE 90 Ca 0.71 1.11 0.04 0.00 0.00 0.00 0.00 60.65 62.50 2qie s ILE 90 Cb -0.23 -4.37 -0.24 0.00 0.01 0.00 0.00 42.46 37.63 2qie s ILE 90 CO 0.31 -0.62 1.01 0.00 0.00 0.00 0.00 174.94 175.64 2qie h ALA 91 N 8.63 0.38 -2.80 9.38 0.00 -1.33 -3.43 119.26 130.09 2qie h ALA 91 Ca -0.23 -1.08 -0.13 0.00 0.00 0.00 0.00 54.91 53.47 2qie h ALA 91 Cb 1.08 0.12 -0.25 0.00 0.00 0.00 0.00 17.79 18.74 2qie h ALA 91 CO 1.00 1.25 -0.28 0.54 0.00 0.00 0.00 179.25 181.76 2qie s VAL 92 N -2.65 -0.00 -0.03 0.00 0.11 -1.23 -0.35 120.40 116.24 2qie s VAL 92 Ca -0.04 0.02 0.03 0.00 -2.93 0.00 0.00 61.98 59.06 2qie s VAL 92 Cb 0.08 -0.54 0.00 0.00 -1.53 0.00 0.00 36.38 34.39 2qie s VAL 92 CO 0.84 0.01 -0.12 -0.22 -3.33 0.00 0.00 175.10 172.27 2qie s LEU 93 N 0.39 1.85 -0.10 2.54 0.20 -0.15 -1.53 118.68 121.87 2qie s LEU 93 Ca -0.02 -0.25 0.00 0.00 0.69 0.00 0.00 54.13 54.56 2qie s LEU 93 Cb -0.04 -0.70 0.02 0.00 -0.43 0.00 0.00 46.19 45.04 2qie s LEU 93 CO -0.01 0.10 -0.08 -0.63 -0.29 0.00 0.00 176.35 175.43 2qie s ILE 94 N 0.11 1.03 -0.11 6.68 1.01 -0.42 -1.66 121.20 127.82 2qie s ILE 94 Ca -0.03 -0.31 0.02 0.00 0.00 0.00 0.00 60.65 60.33 2qie s ILE 94 Cb -0.09 -1.03 -0.01 0.00 0.01 0.00 0.00 42.46 41.34 2qie s ILE 94 CO 0.01 0.36 -0.17 0.00 0.00 0.00 0.00 174.94 175.14 2qie s ALA 95 N 1.50 2.45 -0.03 9.38 0.00 0.01 -0.40 121.76 134.68 2qie s ALA 95 Ca 0.01 -0.93 0.01 0.00 0.00 0.00 0.00 51.96 51.05 2qie s ALA 95 Cb -0.13 -1.04 0.01 0.00 0.00 0.00 0.00 23.12 21.97 2qie s ALA 95 CO -0.06 0.29 -0.03 0.08 0.00 0.00 0.00 175.76 176.04 2qie s VAL 96 N 0.24 0.38 0.20 0.00 1.01 -0.59 -0.37 120.40 121.28 2qie s VAL 96 Ca -0.11 -0.09 0.11 0.00 0.00 0.00 0.00 61.98 61.88 2qie s VAL 96 Cb -0.16 -0.40 -0.04 0.00 0.00 0.00 0.00 36.38 35.78 2qie s VAL 96 CO 0.06 0.16 -0.18 -0.94 0.00 0.00 0.00 175.10 174.20 2qie s SER 97 N 0.58 3.75 -0.04 3.32 1.04 -0.34 -0.76 113.70 121.24 2qie s SER 97 Ca -0.07 -0.78 -0.26 0.00 0.48 0.00 0.00 55.95 55.32 2qie s SER 97 Cb -0.10 -0.43 0.06 0.00 0.10 0.00 0.00 66.02 65.65 2qie s SER 97 CO -0.00 0.10 0.58 -0.55 0.98 0.00 0.00 173.24 174.35 2qie s SER 98 N -2.83 -0.53 0.23 7.02 0.15 -0.02 -2.19 113.70 115.54 2qie s SER 98 Ca 0.23 0.55 -0.07 0.00 0.70 0.00 0.00 55.95 57.36 2qie s SER 98 Cb -0.08 0.48 0.39 0.00 -1.71 0.00 0.00 66.02 65.11 2qie s SER 98 CO 0.12 -0.56 1.69 -0.65 1.20 0.00 0.00 173.24 175.05 2qie h PRO 99 N 3.26 0.27 -5.83 5.44 0.11 -1.78 -1.17 132.00 132.29 2qie h PRO 99 Ca -0.28 -0.02 -0.62 0.00 0.11 0.00 0.00 66.00 65.20 2qie h PRO 99 Cb 1.15 -0.06 -0.13 0.00 0.11 0.00 0.00 31.00 32.07 2qie h PRO 99 CO 0.39 0.18 -0.64 -1.01 -0.21 0.00 0.00 178.00 176.71 2qie s HIS 100 N -6.07 2.47 0.02 0.65 3.76 -1.26 -2.16 115.29 112.70 2qie s HIS 100 Ca -0.13 -0.57 -0.19 0.00 -0.15 0.00 0.00 55.06 54.03 2qie s HIS 100 Cb 0.20 -1.57 -0.22 0.00 1.11 0.00 0.00 32.58 32.09 2qie s HIS 100 CO 0.75 0.51 1.13 0.07 -0.85 0.00 0.00 174.74 176.35 2qie h ARG 101 N 1.88 0.45 -0.22 1.40 0.11 -1.92 -3.33 114.38 112.76 2qie h ARG 101 Ca -0.43 -0.46 0.05 0.00 0.10 0.00 0.00 59.98 59.24 2qie h ARG 101 Cb 1.25 0.12 -0.07 0.00 1.11 0.00 0.00 29.97 32.38 2qie h ARG 101 CO 0.74 1.11 -0.43 0.87 0.10 0.00 0.00 179.97 182.37 2qie h LYS 102 N -0.02 -0.43 -0.96 0.08 1.57 -1.98 -1.09 116.57 113.73 2qie h LYS 102 Ca -0.07 0.03 0.17 0.00 -1.87 0.00 0.00 60.65 58.91 2qie h LYS 102 Cb 1.31 0.10 -0.10 0.00 0.08 0.00 0.00 32.23 33.62 2qie h LYS 102 CO 0.12 -0.29 0.56 -0.44 -0.57 0.00 0.00 179.45 178.84 2qie h ASP 103 N -0.44 0.72 -0.55 0.86 5.19 -1.99 -0.12 116.42 120.09 2qie h ASP 103 Ca 0.09 0.09 0.03 0.00 -0.62 0.00 0.00 57.03 56.62 2qie h ASP 103 Cb 0.61 -0.04 -0.04 0.00 0.18 0.00 0.00 39.33 40.05 2qie h ASP 103 CO -0.45 0.28 0.33 0.00 -3.12 0.00 0.00 179.24 176.27 2qie h ALA 104 N 1.61 0.71 0.10 3.45 0.00 -1.32 0.14 119.26 123.96 2qie h ALA 104 Ca 0.54 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.44 2qie h ALA 104 Cb 0.79 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.43 2qie h ALA 104 CO -0.37 0.03 -0.05 1.88 0.00 0.00 0.00 179.25 180.74 2qie h TYR 105 N 0.64 -0.13 -0.29 0.00 -1.99 -0.70 -2.21 116.97 112.29 2qie h TYR 105 Ca 0.23 -0.00 0.06 0.00 2.00 0.00 0.00 58.73 61.01 2qie h TYR 105 Cb 0.04 0.04 -0.06 0.00 2.00 0.00 0.00 36.73 38.75 2qie h TYR 105 CO -0.07 0.25 -0.11 0.00 -0.00 0.00 0.00 178.16 178.23 2qie h ARG 106 N -0.54 -0.06 -0.05 4.88 2.47 -0.97 -1.49 114.38 118.62 2qie h ARG 106 Ca -0.01 0.00 -0.15 0.00 -1.26 0.00 0.00 59.98 58.56 2qie h ARG 106 Cb 0.44 0.01 -0.01 0.00 -1.65 0.00 0.00 29.97 28.76 2qie h ARG 106 CO 0.02 -0.04 -0.63 0.00 0.56 0.00 0.00 179.97 179.88 2qie h ALA 107 N 1.20 0.85 -0.06 0.04 0.00 -1.03 -1.22 119.26 119.04 2qie h ALA 107 Ca 0.15 -0.57 -0.02 0.00 0.00 0.00 0.00 54.91 54.47 2qie h ALA 107 Cb 0.28 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.98 2qie h ALA 107 CO -0.33 0.76 -0.02 -0.97 0.00 0.00 0.00 179.25 178.69 2qie h ASN 108 N 0.13 0.13 -0.46 0.00 -0.73 -1.14 -2.42 115.58 111.08 2qie h ASN 108 Ca -0.01 -0.39 -0.02 0.00 1.87 0.00 0.00 56.30 57.75 2qie h ASN 108 Cb 1.14 -0.04 -0.02 0.00 0.27 0.00 0.00 38.32 39.67 2qie h ASN 108 CO 0.09 0.49 0.23 -0.08 -0.37 0.00 0.00 177.43 177.80 2qie h GLU 109 N -0.23 0.70 -0.92 6.67 4.81 -1.18 -1.92 114.58 122.50 2qie h GLU 109 Ca 0.02 -0.08 0.03 0.00 -0.13 0.00 0.00 59.36 59.20 2qie h GLU 109 Cb 0.44 -0.14 -0.05 0.00 0.63 0.00 0.00 28.75 29.63 2qie h GLU 109 CO 0.01 0.55 0.60 -0.92 -0.73 0.00 0.00 179.01 178.52 2qie h TYR 110 N 0.70 1.11 -0.18 0.92 3.20 -1.13 -2.89 116.97 118.71 2qie h TYR 110 Ca 0.17 0.03 -0.19 0.00 3.14 0.00 0.00 58.73 61.88 2qie h TYR 110 Cb 0.08 -0.37 0.01 0.00 1.54 0.00 0.00 36.73 37.99 2qie h TYR 110 CO 0.01 0.65 -0.65 0.00 -1.64 0.00 0.00 178.16 176.53 2qie h ALA 111 N 1.46 0.31 -0.74 1.82 0.00 -0.84 -1.44 119.26 119.83 2qie h ALA 111 Ca 0.36 -0.55 -0.05 0.00 0.00 0.00 0.00 54.91 54.67 2qie h ALA 111 Cb 0.01 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 17.74 2qie h ALA 111 CO -0.11 0.60 0.25 0.97 0.00 0.00 0.00 179.25 180.96 2qie h ILE 112 N 0.47 1.26 -0.05 0.00 6.09 -1.42 0.26 117.51 124.12 2qie h ILE 112 Ca -0.03 -0.87 -0.17 0.00 -1.37 0.00 0.00 64.86 62.42 2qie h ILE 112 Cb 1.28 0.42 -0.01 0.00 0.47 0.00 0.00 36.82 38.98 2qie h ILE 112 CO 0.14 0.34 -0.71 -0.33 -3.07 0.00 0.00 178.15 174.52 2qie h GLU 113 N 1.09 0.26 -0.00 2.19 5.08 -1.42 -2.57 114.58 119.21 2qie h GLU 113 Ca 0.24 -0.22 -0.16 0.00 -1.00 0.00 0.00 59.36 58.23 2qie h GLU 113 Cb 0.27 0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.54 2qie h GLU 113 CO -0.01 0.86 -0.75 0.00 -1.00 0.00 0.00 179.01 178.11 2qie h ARG 114 N 0.18 0.02 -0.30 2.33 2.47 -1.07 -2.87 114.38 115.14 2qie h ARG 114 Ca -0.02 -0.02 -0.01 0.00 -1.26 0.00 0.00 59.98 58.67 2qie h ARG 114 Cb 1.26 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 29.57 2qie h ARG 114 CO 0.11 0.76 0.15 0.82 0.56 0.00 0.00 179.97 182.38 2qie h ILE 115 N 0.01 1.14 0.00 2.04 2.04 -0.80 -1.94 117.51 120.00 2qie h ILE 115 Ca -0.01 -0.38 0.00 0.00 1.00 0.00 0.00 64.86 65.47 2qie h ILE 115 Cb 1.33 0.85 0.00 0.00 -0.74 0.00 0.00 36.82 38.26 2qie h ILE 115 CO 0.10 0.14 0.00 0.29 0.00 0.00 0.00 178.15 178.68 2qie n LYS 116 N -4.80 0.17 -0.09 2.37 5.02 -0.98 -2.69 118.16 117.16 2qie n LYS 116 Ca -0.02 0.38 -0.23 0.00 -2.02 0.00 0.00 58.31 56.43 2qie n LYS 116 Cb 0.09 -1.81 -0.12 0.00 -0.02 0.00 0.00 35.03 33.17 2qie n LYS 116 CO 0.00 0.00 0.00 -1.91 -0.52 0.00 0.00 177.40 174.97 2qie n GLU 117 N -2.12 0.64 0.00 1.97 2.13 -1.05 -4.82 120.64 117.38 2qie n GLU 117 Ca 0.03 0.35 0.00 0.00 0.66 0.00 0.00 57.16 58.20 2qie n GLU 117 Cb 0.23 -1.64 0.00 0.00 0.27 0.00 0.00 31.44 30.30 2qie n GLU 117 CO 0.00 0.00 0.00 0.44 -0.41 0.00 0.00 177.13 177.16 2qie n ILE 118 N -3.95 0.00 -3.71 6.31 -5.35 -0.76 -5.04 119.36 106.87 2qie n ILE 118 Ca -0.40 -0.38 -0.36 0.00 -0.27 0.00 0.00 62.75 61.34 2qie n ILE 118 Cb 0.88 1.20 -0.10 0.00 -1.74 0.00 0.00 39.64 39.88 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 -0.13 5.25 -1.16 7.28 1.01 -1.09 -5.00 120.40 126.56 2qie s VAL 119 Ca 0.00 0.14 -0.23 0.00 0.00 0.00 0.00 61.98 61.89 2qie s VAL 119 Cb 0.00 -3.43 -0.09 0.00 0.00 0.00 0.00 36.38 32.85 2qie s VAL 119 CO 0.00 0.37 1.93 -0.81 0.00 0.00 0.00 175.10 176.59 2qie n PRO 120 N 4.16 1.62 -4.03 2.72 -0.04 -1.26 -4.85 135.00 133.31 2qie n PRO 120 Ca -0.15 -2.44 -0.13 0.00 -0.04 0.00 0.00 63.50 60.74 2qie n PRO 120 Cb 0.52 -3.68 -0.13 0.00 -0.04 0.00 0.00 33.50 30.18 2qie n PRO 120 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 2qie s ILE 121 N 10.58 0.29 0.01 0.52 1.01 -1.26 -2.52 121.20 129.83 2qie s ILE 121 Ca 0.67 -0.59 -0.02 0.00 0.00 0.00 0.00 60.65 60.71 2qie s ILE 121 Cb 0.00 -0.33 -0.01 0.00 0.01 0.00 0.00 42.46 42.13 2qie s ILE 121 CO 0.14 -0.20 0.03 0.26 0.00 0.00 0.00 174.94 175.17 2qie s TRP 122 N -0.78 0.14 -0.17 3.97 0.51 -0.27 -4.98 118.94 117.37 2qie s TRP 122 Ca -0.06 -0.30 0.00 0.00 -2.12 0.00 0.00 56.10 53.62 2qie s TRP 122 Cb -0.06 -0.11 0.03 0.00 -0.81 0.00 0.00 33.47 32.52 2qie s TRP 122 CO -0.00 -0.19 -0.10 -1.59 -0.51 0.00 0.00 176.95 174.56 2qie s LYS 123 N -1.18 1.90 -0.22 4.98 -2.85 -1.26 -1.42 119.74 119.69 2qie s LYS 123 Ca -0.13 -0.61 -0.22 0.00 -1.00 0.00 0.00 55.97 54.01 2qie s LYS 123 Cb -0.08 -2.12 -0.02 0.00 -2.06 0.00 0.00 37.83 33.55 2qie s LYS 123 CO -0.00 -0.35 0.70 0.21 0.10 0.00 0.00 175.35 176.01 2qie s LYS 124 N 1.52 4.19 -0.29 1.78 2.20 -0.83 -2.99 119.74 125.32 2qie s LYS 124 Ca 0.02 0.73 -0.15 0.00 -0.36 0.00 0.00 55.97 56.21 2qie s LYS 124 Cb -0.15 -3.61 -0.03 0.00 -1.51 0.00 0.00 37.83 32.54 2qie s LYS 124 CO -0.09 -0.35 0.37 -1.21 -0.36 0.00 0.00 175.35 173.71 2qie s GLU 125 N 2.28 3.88 -1.15 4.03 2.02 -1.26 -2.55 118.70 125.95 2qie s GLU 125 Ca 0.31 -0.09 -0.21 0.00 0.02 0.00 0.00 54.97 54.99 2qie s GLU 125 Cb -0.16 -3.70 0.02 0.00 0.10 0.00 0.00 34.13 30.39 2qie s GLU 125 CO 0.10 -0.36 1.73 0.42 0.02 0.00 0.00 175.26 177.17 2qie s ILE 126 N 2.07 3.86 -0.00 -1.63 -1.09 -0.58 -4.88 121.20 118.95 2qie s ILE 126 Ca 0.14 -1.21 -0.00 0.00 -2.23 0.00 0.00 60.65 57.35 2qie s ILE 126 Cb -0.16 -4.88 0.00 0.00 -1.58 0.00 0.00 42.46 35.84 2qie s ILE 126 CO 0.11 -1.65 0.00 0.29 -1.23 0.00 0.00 174.94 172.46 2qie n LYS 132 N 8.56 -0.27 -1.50 2.79 5.02 -1.26 -2.29 118.16 129.22 2qie n LYS 132 Ca 0.43 0.67 -0.25 0.00 -2.02 0.00 0.00 58.31 57.13 2qie n LYS 132 Cb 0.48 -0.86 0.19 0.00 -0.02 0.00 0.00 35.03 34.81 2qie n LYS 132 CO 0.00 0.00 0.00 0.91 -0.52 0.00 0.00 177.40 177.79 2qie n TRP 133 N 0.10 -3.96 -4.25 2.13 7.02 -1.26 -4.61 117.44 112.60 2qie n TRP 133 Ca -0.01 -0.98 -0.21 0.00 -1.02 0.00 0.00 57.50 55.28 2qie n TRP 133 Cb 0.01 -0.91 -0.12 0.00 -2.42 0.00 0.00 31.31 27.87 2qie n TRP 133 CO 0.00 0.00 0.00 -1.14 -2.02 0.00 0.00 177.69 174.53 2qie s GLN 134 N -5.44 1.05 0.00 -0.99 2.00 -1.16 -4.83 119.66 110.29 2qie s GLN 134 Ca 0.64 -1.16 0.00 0.00 -2.00 0.00 0.00 55.36 52.85 2qie s GLN 134 Cb -0.03 -1.15 0.00 0.00 0.80 0.00 0.00 33.01 32.64 2qie s GLN 134 CO 0.46 0.25 0.00 0.41 -0.50 0.00 0.00 175.29 175.91 2qie n GLY 135 N 0.92 2.33 1.18 2.59 0.00 -1.26 -4.78 105.19 106.17 2qie n GLY 135 Ca -0.18 -0.24 0.00 0.00 0.00 0.00 0.00 46.02 45.60 2qie n GLY 135 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89