#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qqz s ASN 3 N 0.00 6.95 0.30 0.55 2.47 -1.26 -4.76 114.94 119.19 2qqz s ASN 3 Ca 0.00 -2.72 0.04 0.00 0.42 0.00 0.00 52.86 50.60 2qqz s ASN 3 Cb 0.00 -2.41 0.48 0.00 -1.45 0.00 0.00 41.25 37.87 2qqz s ASN 3 CO 0.00 -0.85 1.77 1.88 -3.72 0.00 0.00 177.10 176.18 2qqz h TYR 4 N 7.62 0.50 -3.10 0.43 0.05 -2.14 -3.44 116.97 116.90 2qqz h TYR 4 Ca 0.28 -0.09 -0.56 0.00 0.05 0.00 0.00 58.73 58.41 2qqz h TYR 4 Cb 0.91 -0.13 -0.03 0.00 1.01 0.00 0.00 36.73 38.50 2qqz h TYR 4 CO 1.13 0.63 0.70 0.42 -1.05 0.00 0.00 178.16 179.99 2qqz s ILE 5 N -4.59 4.37 -0.03 -2.88 1.01 -1.26 -4.93 121.20 112.89 2qqz s ILE 5 Ca -0.07 1.68 0.21 0.00 0.00 0.00 0.00 60.65 62.47 2qqz s ILE 5 Cb 0.14 -4.08 -0.33 0.00 0.01 0.00 0.00 42.46 38.21 2qqz s ILE 5 CO 0.78 -0.02 0.46 0.00 0.00 0.00 0.00 174.94 176.15 2qqz n GLN 6 N 5.37 0.64 -3.11 2.79 1.13 -1.26 -5.08 117.38 117.85 2qqz n GLN 6 Ca 0.11 -0.19 0.00 0.00 -1.94 0.00 0.00 57.00 54.98 2qqz n GLN 6 Cb 0.46 -1.50 0.00 0.00 0.11 0.00 0.00 30.24 29.32 2qqz n GLN 6 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2qqz n GLY 7 N 1.32 -1.98 3.65 1.08 0.00 -1.26 -5.08 105.19 102.92 2qqz n GLY 7 Ca -0.04 -1.46 -0.42 0.00 0.00 0.00 0.00 46.02 44.10 2qqz n GLY 7 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2qqz s ILE 8 N -1.85 4.85 -0.02 -0.61 1.01 -1.26 -4.94 121.20 118.38 2qqz s ILE 8 Ca 0.00 1.57 -0.22 0.00 0.00 0.00 0.00 60.65 62.01 2qqz s ILE 8 Cb 0.00 -4.12 -0.24 0.00 0.01 0.00 0.00 42.46 38.11 2qqz s ILE 8 CO 0.00 -0.04 1.05 -0.78 0.00 0.00 0.00 174.94 175.16 2qqz h ASP 9 N 7.58 0.42 -5.15 3.58 3.58 -1.96 -3.46 116.42 121.02 2qqz h ASP 9 Ca -0.25 -0.79 0.12 0.00 0.42 0.00 0.00 57.03 56.53 2qqz h ASP 9 Cb 1.10 -0.13 -0.07 0.00 1.72 0.00 0.00 39.33 41.95 2qqz h ASP 9 CO 0.86 1.16 0.36 -1.38 -2.88 0.00 0.00 179.24 177.36 2qqz s HIS 10 N -3.07 -0.18 -0.03 0.28 -3.43 -1.26 -2.82 115.29 104.78 2qqz s HIS 10 Ca -0.14 -0.19 0.07 0.00 -0.80 0.00 0.00 55.06 54.00 2qqz s HIS 10 Cb 0.02 0.67 -0.01 0.00 -1.43 0.00 0.00 32.58 31.82 2qqz s HIS 10 CO 0.79 -1.00 -0.22 0.08 -2.00 0.00 0.00 174.74 172.39 2qqz s VAL 11 N -3.58 1.79 -0.29 -5.38 1.01 -1.10 -4.98 120.40 107.87 2qqz s VAL 11 Ca 0.11 -0.96 -0.11 0.00 0.00 0.00 0.00 61.98 61.02 2qqz s VAL 11 Cb -0.03 -1.50 -0.05 0.00 0.00 0.00 0.00 36.38 34.80 2qqz s VAL 11 CO 0.03 0.51 0.19 -1.58 0.00 0.00 0.00 175.10 174.25 2qqz s GLN 12 N -0.41 3.88 -0.14 2.72 0.74 -1.26 -0.83 119.66 124.36 2qqz s GLN 12 Ca 0.05 -0.37 -0.03 0.00 0.05 0.00 0.00 55.36 55.06 2qqz s GLN 12 Cb -0.10 -3.67 -0.03 0.00 1.10 0.00 0.00 33.01 30.31 2qqz s GLN 12 CO 0.00 -0.21 -0.02 0.08 -0.55 0.00 0.00 175.29 174.59 2qqz s VAL 13 N 1.75 4.12 0.42 1.34 1.01 0.16 -4.96 120.40 124.23 2qqz s VAL 13 Ca 0.07 -0.29 -0.04 0.00 0.00 0.00 0.00 61.98 61.72 2qqz s VAL 13 Cb -0.16 -2.79 -0.04 0.00 0.00 0.00 0.00 36.38 33.39 2qqz s VAL 13 CO 0.11 0.52 0.69 0.00 0.00 0.00 0.00 175.10 176.42 2qqz s ALA 14 N -0.04 3.51 0.16 5.51 0.00 -1.26 -0.95 121.76 128.68 2qqz s ALA 14 Ca 0.02 -0.61 -0.23 0.00 0.00 0.00 0.00 51.96 51.14 2qqz s ALA 14 Cb -0.13 -2.42 0.07 0.00 0.00 0.00 0.00 23.12 20.64 2qqz s ALA 14 CO 0.02 -0.18 0.62 0.00 0.00 0.00 0.00 175.76 176.22 2qqz s ALA 15 N -2.53 -1.60 0.83 0.00 0.00 -0.48 -4.85 121.76 113.14 2qqz s ALA 15 Ca 0.45 0.49 -0.12 0.00 0.00 0.00 0.00 51.96 52.78 2qqz s ALA 15 Cb -0.10 0.87 0.09 0.00 0.00 0.00 0.00 23.12 23.98 2qqz s ALA 15 CO 0.40 -0.78 1.12 -1.25 0.00 0.00 0.00 175.76 175.25 2qqz s PRO 16 N -3.73 1.83 0.36 0.00 0.04 -1.26 0.56 135.00 132.80 2qqz s PRO 16 Ca 0.01 0.45 -0.27 0.00 0.04 0.00 0.00 61.00 61.23 2qqz s PRO 16 Cb -0.01 -1.90 -0.12 0.00 0.04 0.00 0.00 34.50 32.51 2qqz s PRO 16 CO -0.12 -1.76 1.30 0.28 0.04 0.00 0.00 177.00 176.74 2qqz n VAL 17 N -3.49 2.13 -0.72 -0.36 0.31 -1.26 -2.16 118.33 112.78 2qqz n VAL 17 Ca 0.07 -0.50 0.00 0.00 -0.01 0.00 0.00 64.34 63.90 2qqz n VAL 17 Cb 0.58 -1.61 0.00 0.00 -0.91 0.00 0.00 33.84 31.90 2qqz n VAL 17 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2qqz n GLY 18 N 0.75 0.65 0.01 2.92 0.00 -1.26 -4.96 105.19 103.30 2qqz n GLY 18 Ca 0.05 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.18 2qqz n GLY 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qqz h GLU 20 N 0.00 1.11 0.23 0.00 3.07 -1.93 0.78 114.58 117.84 2qqz h GLU 20 Ca 0.00 -0.07 -0.01 0.00 -0.50 0.00 0.00 59.36 58.78 2qqz h GLU 20 Cb 0.42 -0.25 0.00 0.00 -0.84 0.00 0.00 28.75 28.08 2qqz h GLU 20 CO 0.00 0.73 -0.11 1.49 -1.40 0.00 0.00 179.01 179.72 2qqz h GLU 21 N 1.14 -0.30 -0.69 2.33 4.81 -2.00 -1.31 114.58 118.56 2qqz h GLU 21 Ca 0.32 0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 59.56 2qqz h GLU 21 Cb -0.10 0.07 -0.03 0.00 0.63 0.00 0.00 28.75 29.32 2qqz h GLU 21 CO -0.08 -0.10 0.38 0.93 -0.73 0.00 0.00 179.01 179.41 2qqz h GLU 22 N -0.45 0.96 -0.32 1.92 5.08 -1.75 0.17 114.58 120.19 2qqz h GLU 22 Ca -0.03 -0.10 -0.04 0.00 -1.00 0.00 0.00 59.36 58.18 2qqz h GLU 22 Cb 0.34 -0.19 -0.01 0.00 0.50 0.00 0.00 28.75 29.39 2qqz h GLU 22 CO 0.05 0.71 0.04 0.00 -1.00 0.00 0.00 179.01 178.81 2qqz h ALA 23 N 1.45 0.43 -0.62 3.43 0.00 -0.73 -1.88 119.26 121.34 2qqz h ALA 23 Ca 0.25 -0.21 -0.05 0.00 0.00 0.00 0.00 54.91 54.90 2qqz h ALA 23 Cb 0.03 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.67 2qqz h ALA 23 CO -0.04 0.14 0.18 0.00 0.00 0.00 0.00 179.25 179.53 2qqz h ARG 24 N 0.37 0.97 -0.85 0.00 3.08 -0.96 0.32 114.38 117.31 2qqz h ARG 24 Ca 0.10 -0.22 0.04 0.00 0.07 0.00 0.00 59.98 59.97 2qqz h ARG 24 Cb 0.37 -0.14 -0.05 0.00 0.08 0.00 0.00 29.97 30.23 2qqz h ARG 24 CO 0.01 0.87 0.56 0.00 -1.07 0.00 0.00 179.97 180.34 2qqz h ALA 25 N 1.06 1.49 0.00 0.04 0.00 -0.81 -0.63 119.26 120.40 2qqz h ALA 25 Ca 0.20 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 55.02 2qqz h ALA 25 Cb 0.32 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 2qqz h ALA 25 CO -0.00 0.42 -0.66 0.34 0.00 0.00 0.00 179.25 179.34 2qqz n PHE 26 N -4.45 0.93 -0.04 0.00 7.35 -0.72 -1.33 117.46 119.20 2qqz n PHE 26 Ca 0.11 0.40 -0.04 0.00 -0.76 0.00 0.00 57.45 57.17 2qqz n PHE 26 Cb 0.12 -0.83 0.18 0.00 0.35 0.00 0.00 39.48 39.30 2qqz n PHE 26 CO 0.00 0.00 0.00 1.88 -0.76 0.00 0.00 176.76 177.88 2qqz h TYR 27 N -1.00 0.68 0.00 -5.13 0.05 -0.49 -0.19 116.97 110.88 2qqz h TYR 27 Ca -0.07 -0.13 0.00 0.00 0.05 0.00 0.00 58.73 58.59 2qqz h TYR 27 Cb 0.66 -0.17 0.00 0.00 1.01 0.00 0.00 36.73 38.23 2qqz h TYR 27 CO -0.17 0.74 -0.26 0.78 -1.05 0.00 0.00 178.16 178.20 2qqz h GLY 28 N 0.98 0.00 1.09 3.88 0.00 -1.40 -3.23 103.07 104.39 2qqz h GLY 28 Ca 0.09 0.00 -0.24 0.00 0.00 0.00 0.00 47.33 47.18 2qqz h GLY 28 CO 0.04 0.00 -0.94 -2.09 0.00 0.00 0.00 176.54 173.55 2qqz h GLU 29 N -0.62 0.62 0.00 4.80 4.81 -1.00 -1.74 114.58 121.45 2qqz h GLU 29 Ca 0.00 -0.68 -0.08 0.00 -0.13 0.00 0.00 59.36 58.47 2qqz h GLU 29 Cb 0.26 0.19 -0.01 0.00 0.63 0.00 0.00 28.75 29.82 2qqz h GLU 29 CO 0.00 1.27 -0.43 1.15 -0.73 0.00 0.00 179.01 180.28 2qqz h THR 30 N 0.26 1.49 0.00 0.32 2.02 -0.73 -3.36 112.91 112.90 2qqz h THR 30 Ca -0.12 -2.29 0.00 0.00 0.77 0.00 0.00 66.41 64.78 2qqz h THR 30 Cb 1.61 2.99 0.00 0.00 -1.74 0.00 0.00 68.15 71.00 2qqz h THR 30 CO 0.18 0.51 -0.86 2.30 0.37 0.00 0.00 175.52 178.02 2qqz n ILE 31 N -4.55 0.23 -1.00 3.11 -6.64 -0.13 -4.89 119.36 105.49 2qqz n ILE 31 Ca -0.17 -0.24 0.00 0.00 -1.77 0.00 0.00 62.75 60.56 2qqz n ILE 31 Cb 0.55 0.09 0.00 0.00 -1.44 0.00 0.00 39.64 38.84 2qqz n ILE 31 CO 0.00 0.00 0.00 0.61 -1.77 0.00 0.00 176.55 175.39 2qqz n GLY 32 N 1.36 -1.89 2.98 3.28 0.00 -0.65 -5.01 105.19 105.26 2qqz n GLY 32 Ca 0.03 -0.52 -0.29 0.00 0.00 0.00 0.00 46.02 45.23 2qqz n GLY 32 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2qqz s GLU 34 N -0.59 2.01 0.26 1.61 2.12 -1.25 -4.96 118.70 117.90 2qqz s GLU 34 Ca 0.00 -0.44 -0.30 0.00 0.36 0.00 0.00 54.97 54.59 2qqz s GLU 34 Cb 0.00 -1.91 -0.10 0.00 0.26 0.00 0.00 34.13 32.38 2qqz s GLU 34 CO 0.00 -0.25 1.45 -2.00 -0.54 0.00 0.00 175.26 173.92 2qqz s GLU 35 N 1.56 4.25 -0.09 4.30 2.12 -1.26 -0.18 118.70 129.41 2qqz s GLU 35 Ca 0.05 2.33 0.03 0.00 0.36 0.00 0.00 54.97 57.74 2qqz s GLU 35 Cb -0.13 -3.09 -0.01 0.00 0.26 0.00 0.00 34.13 31.15 2qqz s GLU 35 CO -0.10 -0.43 -0.18 0.42 -0.54 0.00 0.00 175.26 174.43 2qqz s ILE 36 N -0.11 2.61 0.38 -3.70 -1.09 -0.19 -4.87 121.20 114.23 2qqz s ILE 36 Ca 0.59 -0.85 -0.26 0.00 -2.23 0.00 0.00 60.65 57.90 2qqz s ILE 36 Cb -0.42 -2.03 -0.09 0.00 -1.58 0.00 0.00 42.46 38.34 2qqz s ILE 36 CO 0.45 0.56 1.20 -2.16 -1.23 0.00 0.00 174.94 173.76 2qqz s PRO 37 N -0.02 4.16 0.53 2.79 0.04 -1.26 -4.12 135.00 137.12 2qqz s PRO 37 Ca -0.06 1.94 -0.16 0.00 0.04 0.00 0.00 61.00 62.76 2qqz s PRO 37 Cb -0.15 -2.81 -0.07 0.00 0.04 0.00 0.00 34.50 31.51 2qqz s PRO 37 CO 0.05 -0.26 1.00 0.15 0.04 0.00 0.00 177.00 177.98 2qqz s LYS 38 N -2.11 3.84 0.38 4.56 1.02 -1.26 -4.99 119.74 121.18 2qqz s LYS 38 Ca 0.54 0.98 -0.26 0.00 0.02 0.00 0.00 55.97 57.25 2qqz s LYS 38 Cb -0.33 -2.12 -0.12 0.00 -0.52 0.00 0.00 37.83 34.74 2qqz s LYS 38 CO 0.43 -0.36 1.02 -2.30 -0.92 0.00 0.00 175.35 173.22 2qqz n PRO 39 N -1.72 1.41 -0.30 -1.68 -0.02 -1.26 -4.82 135.00 126.61 2qqz n PRO 39 Ca 0.07 0.50 0.10 0.00 -2.02 0.00 0.00 63.50 62.15 2qqz n PRO 39 Cb 0.54 -2.01 0.26 0.00 -0.02 0.00 0.00 33.50 32.28 2qqz n PRO 39 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 2qqz h GLU 40 N 1.74 0.51 0.00 -0.52 4.57 -2.01 -1.15 114.58 117.71 2qqz h GLU 40 Ca -0.43 -0.03 0.00 0.00 -1.18 0.00 0.00 59.36 57.72 2qqz h GLU 40 Cb 1.33 -0.11 0.00 0.00 -0.16 0.00 0.00 28.75 29.81 2qqz h GLU 40 CO 0.58 0.34 0.00 0.39 -1.18 0.00 0.00 179.01 179.14 2qqz n GLU 41 N -4.95 0.20 0.00 1.92 -0.58 -1.26 -2.35 120.64 113.63 2qqz n GLU 41 Ca 0.19 0.46 0.08 0.00 -0.42 0.00 0.00 57.16 57.47 2qqz n GLU 41 Cb 0.54 -1.90 0.02 0.00 -0.57 0.00 0.00 31.44 29.52 2qqz n GLU 41 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 2qqz n LEU 42 N -2.28 1.79 0.00 -4.62 4.77 -0.45 -4.63 117.00 111.58 2qqz n LEU 42 Ca 0.02 -0.84 0.12 0.00 -0.03 0.00 0.00 56.01 55.28 2qqz n LEU 42 Cb 0.21 0.00 0.66 0.00 -2.33 0.00 0.00 43.42 41.96 2qqz n LEU 42 CO 0.19 0.34 0.91 0.29 -1.33 0.00 0.00 177.39 177.78 2qqz n LYS 43 N 0.17 0.50 0.07 3.23 5.02 -0.99 -2.15 118.16 124.01 2qqz n LYS 43 Ca 0.07 0.04 0.12 0.00 -2.02 0.00 0.00 58.31 56.52 2qqz n LYS 43 Cb 0.34 -1.50 0.18 0.00 -0.02 0.00 0.00 35.03 34.03 2qqz n LYS 43 CO 0.00 0.00 0.00 0.87 -0.52 0.00 0.00 177.40 177.75 2qqz h LYS 44 N 0.00 0.00 0.00 1.97 1.79 -1.82 -3.34 116.57 115.17 2qqz h LYS 44 Ca 0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 2qqz h LYS 44 Cb 0.15 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.80 2qqz h LYS 44 CO 0.00 0.00 0.00 0.54 -1.08 0.00 0.00 179.45 178.91 2qqz n ARG 45 N -2.15 0.15 -0.26 3.15 1.74 -0.91 -5.04 116.66 113.33 2qqz n ARG 45 Ca 0.03 0.21 0.03 0.00 -0.77 0.00 0.00 57.85 57.36 2qqz n ARG 45 Cb 0.44 -1.70 -0.01 0.00 -1.02 0.00 0.00 32.46 30.17 2qqz n ARG 45 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2qqz n GLY 46 N 0.89 -1.65 0.05 -0.13 0.00 -1.25 -4.56 105.19 98.55 2qqz n GLY 46 Ca 0.05 -1.45 0.00 0.00 0.00 0.00 0.00 46.02 44.62 2qqz n GLY 46 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qqz n GLY 47 N -2.06 -3.90 3.29 -0.02 0.00 -1.26 -4.58 105.19 96.65 2qqz n GLY 47 Ca -0.00 -2.00 -0.09 0.00 0.00 0.00 0.00 46.02 43.92 2qqz n GLY 47 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qqz s TRP 49 N -3.86 2.14 0.01 0.00 0.52 -1.26 0.53 118.94 117.03 2qqz s TRP 49 Ca 0.06 -0.40 0.03 0.00 0.02 0.00 0.00 56.10 55.81 2qqz s TRP 49 Cb 0.03 -1.32 -0.01 0.00 -1.15 0.00 0.00 33.47 31.02 2qqz s TRP 49 CO -0.09 0.05 -0.08 -0.06 0.02 0.00 0.00 176.95 176.79 2qqz s PHE 50 N -0.70 0.74 0.01 -1.98 0.08 -0.21 -1.02 117.98 114.90 2qqz s PHE 50 Ca 0.10 -0.24 -0.24 0.00 0.12 0.00 0.00 56.93 56.67 2qqz s PHE 50 Cb -0.09 -0.46 -0.05 0.00 -0.57 0.00 0.00 43.02 41.85 2qqz s PHE 50 CO 0.01 -0.02 0.72 0.21 -0.10 0.00 0.00 175.22 176.04 2qqz s LYS 51 N -0.62 4.45 -0.34 0.44 2.20 0.75 -0.82 119.74 125.80 2qqz s LYS 51 Ca -0.00 0.97 -0.00 0.00 -0.36 0.00 0.00 55.97 56.58 2qqz s LYS 51 Cb -0.05 -3.38 0.11 0.00 -1.51 0.00 0.00 37.83 33.00 2qqz s LYS 51 CO 0.00 0.25 0.13 0.00 -0.36 0.00 0.00 175.35 175.37 2qqz n GLY 53 N 4.57 2.88 0.19 0.00 0.00 -1.26 -0.54 105.19 111.04 2qqz n GLY 53 Ca 0.01 -0.35 0.08 0.00 0.00 0.00 0.00 46.02 45.76 2qqz n GLY 53 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2qqz n ASN 54 N 2.53 0.56 -4.81 1.61 3.02 -1.26 -4.83 115.26 112.07 2qqz n ASN 54 Ca 0.00 -1.61 -0.28 0.00 -0.03 0.00 0.00 54.58 52.66 2qqz n ASN 54 Cb 0.00 -0.04 -0.05 0.00 -0.61 0.00 0.00 39.78 39.08 2qqz n ASN 54 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 2qqz s GLN 55 N -1.91 2.23 0.11 3.52 1.11 0.30 -4.97 119.66 120.05 2qqz s GLN 55 Ca 0.25 -2.08 0.03 0.00 0.01 0.00 0.00 55.36 53.57 2qqz s GLN 55 Cb 0.12 -1.90 -0.04 0.00 -1.01 0.00 0.00 33.01 30.19 2qqz s GLN 55 CO 0.20 -0.40 -0.08 -1.21 0.01 0.00 0.00 175.29 173.81 2qqz s GLU 56 N -4.05 0.91 -0.09 2.91 2.02 -1.13 -0.48 118.70 118.79 2qqz s GLU 56 Ca 0.28 -1.34 0.02 0.00 0.02 0.00 0.00 54.97 53.95 2qqz s GLU 56 Cb 0.01 -0.40 -0.02 0.00 0.10 0.00 0.00 34.13 33.82 2qqz s GLU 56 CO 0.16 0.03 -0.17 0.42 0.02 0.00 0.00 175.26 175.73 2qqz s ILE 57 N -3.30 2.78 -0.22 -1.63 1.01 -0.00 -2.70 121.20 117.15 2qqz s ILE 57 Ca 0.12 -0.79 -0.01 0.00 0.00 0.00 0.00 60.65 59.97 2qqz s ILE 57 Cb 0.03 -2.11 0.01 0.00 0.01 0.00 0.00 42.46 40.40 2qqz s ILE 57 CO -0.02 0.55 -0.11 -1.00 0.00 0.00 0.00 174.94 174.37 2qqz s HIS 58 N -0.04 2.94 -0.41 3.97 3.76 -0.01 -1.04 115.29 124.45 2qqz s HIS 58 Ca -0.04 -1.42 -0.21 0.00 -0.15 0.00 0.00 55.06 53.24 2qqz s HIS 58 Cb -0.14 -2.02 0.02 0.00 1.11 0.00 0.00 32.58 31.54 2qqz s HIS 58 CO 0.04 -0.71 0.66 0.42 -0.85 0.00 0.00 174.74 174.31 2qqz s ILE 59 N 1.35 4.82 -0.11 0.60 -1.09 0.19 -0.67 121.20 126.29 2qqz s ILE 59 Ca 0.03 0.32 -0.01 0.00 -2.23 0.00 0.00 60.65 58.76 2qqz s ILE 59 Cb -0.15 -4.18 -0.03 0.00 -1.58 0.00 0.00 42.46 36.52 2qqz s ILE 59 CO -0.07 -0.52 -0.05 -0.83 -1.23 0.00 0.00 174.94 172.24 2qqz s GLY 60 N 1.95 1.72 0.15 6.18 0.00 -0.13 -1.67 107.32 115.53 2qqz s GLY 60 Ca 0.24 -0.85 -0.30 0.00 0.00 0.00 0.00 44.72 43.81 2qqz s GLY 60 CO 0.18 -0.39 1.12 0.14 0.00 0.00 0.00 173.10 174.15 2qqz s VAL 61 N -0.30 3.92 -0.08 1.40 1.01 -1.26 -1.38 120.40 123.71 2qqz s VAL 61 Ca 0.05 1.58 -0.01 0.00 0.00 0.00 0.00 61.98 63.59 2qqz s VAL 61 Cb -0.13 -4.01 0.03 0.00 0.00 0.00 0.00 36.38 32.28 2qqz s VAL 61 CO 0.02 0.24 0.01 -1.61 0.00 0.00 0.00 175.10 173.76 2qqz s GLU 62 N -0.04 0.58 0.38 2.72 0.41 0.19 -4.87 118.70 118.08 2qqz s GLU 62 Ca 0.51 0.08 0.06 0.00 -0.41 0.00 0.00 54.97 55.21 2qqz s GLU 62 Cb -0.29 -1.05 0.74 0.00 -1.78 0.00 0.00 34.13 31.76 2qqz s GLU 62 CO 0.34 -0.33 1.97 0.37 -0.49 0.00 0.00 175.26 177.12 2qqz h GLN 63 N 8.33 0.52 -1.00 1.61 4.15 -1.95 -2.32 115.11 124.44 2qqz h GLN 63 Ca -0.19 -0.07 -0.68 0.00 0.77 0.00 0.00 58.65 58.49 2qqz h GLN 63 Cb 1.12 -0.10 -0.29 0.00 0.21 0.00 0.00 27.48 28.43 2qqz h GLN 63 CO 0.26 0.44 0.87 0.09 -1.93 0.00 0.00 178.83 178.56 2qqz n ASN 64 N -4.38 7.63 -4.66 -0.69 5.03 -1.26 -4.93 115.26 112.00 2qqz n ASN 64 Ca 0.02 -3.79 -0.46 0.00 0.87 0.00 0.00 54.58 51.22 2qqz n ASN 64 Cb 0.15 -0.97 -0.04 0.00 -1.02 0.00 0.00 39.78 37.90 2qqz n ASN 64 CO 0.00 0.00 0.00 0.33 -1.83 0.00 0.00 177.26 175.76 2qqz n PHE 65 N -0.92 2.18 -3.93 3.10 7.35 -0.87 -5.01 117.46 119.36 2qqz n PHE 65 Ca 0.63 0.33 -0.28 0.00 -0.76 0.00 0.00 57.45 57.37 2qqz n PHE 65 Cb 0.68 -2.51 -0.17 0.00 0.35 0.00 0.00 39.48 37.84 2qqz n PHE 65 CO 0.00 0.00 0.00 1.21 -0.76 0.00 0.00 176.76 177.21 2qqz s ASN 66 N 0.74 2.58 0.60 -2.13 2.47 -1.26 -5.03 114.94 112.91 2qqz s ASN 66 Ca 0.77 -0.50 -0.19 0.00 0.42 0.00 0.00 52.86 53.37 2qqz s ASN 66 Cb -0.70 -0.96 -0.03 0.00 -1.45 0.00 0.00 41.25 38.11 2qqz s ASN 66 CO 0.41 -0.13 1.22 -2.16 -3.72 0.00 0.00 177.10 172.72 2qqz s PRO 67 N 1.62 2.89 -0.74 0.43 0.04 -1.26 -4.91 135.00 133.07 2qqz s PRO 67 Ca 0.03 1.86 -0.16 0.00 0.04 0.00 0.00 61.00 62.77 2qqz s PRO 67 Cb -0.14 -1.91 0.16 0.00 0.04 0.00 0.00 34.50 32.65 2qqz s PRO 67 CO -0.09 -1.28 0.77 0.00 0.04 0.00 0.00 177.00 176.44 2qqz s ALA 68 N -1.57 3.74 -0.75 8.56 0.00 -1.26 -4.86 121.76 125.62 2qqz s ALA 68 Ca 0.78 -2.85 0.25 0.00 0.00 0.00 0.00 51.96 50.15 2qqz s ALA 68 Cb -0.31 -3.56 0.54 0.00 0.00 0.00 0.00 23.12 19.78 2qqz s ALA 68 CO 0.34 -2.37 1.48 1.63 0.00 0.00 0.00 175.76 176.84 2qqz n LYS 69 N 5.16 0.21 0.00 0.00 5.02 -1.26 -0.68 118.16 126.61 2qqz n LYS 69 Ca 0.05 0.09 0.00 0.00 -2.02 0.00 0.00 58.31 56.43 2qqz n LYS 69 Cb 0.45 -1.66 0.00 0.00 -0.02 0.00 0.00 35.03 33.80 2qqz n LYS 69 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 2qqz n ARG 70 N -1.98 0.00 -1.49 1.97 1.74 -1.26 -4.62 116.66 111.01 2qqz n ARG 70 Ca 0.04 0.00 -0.50 0.00 -0.77 0.00 0.00 57.85 56.62 2qqz n ARG 70 Cb 0.41 0.00 -0.04 0.00 -1.02 0.00 0.00 32.46 31.81 2qqz n ARG 70 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2qqz n ALA 71 N -3.00 -2.22 -3.57 7.54 0.00 -1.26 -4.81 120.51 113.19 2qqz n ALA 71 Ca 0.00 0.47 -0.09 0.00 0.00 0.00 0.00 53.44 53.82 2qqz n ALA 71 Cb 0.00 -1.79 -0.02 0.00 0.00 0.00 0.00 19.45 17.64 2qqz n ALA 71 CO 0.00 0.00 0.00 -3.38 0.00 0.00 0.00 177.50 174.12 2qqz s HIS 72 N -0.60 -0.38 0.39 0.00 -3.43 -1.26 -4.81 115.29 105.20 2qqz s HIS 72 Ca 0.71 0.13 -0.22 0.00 -0.80 0.00 0.00 55.06 54.87 2qqz s HIS 72 Cb -0.96 0.59 -0.11 0.00 -1.43 0.00 0.00 32.58 30.68 2qqz s HIS 72 CO 0.56 -0.86 0.94 -1.25 -2.00 0.00 0.00 174.74 172.13 2qqz s PRO 73 N -3.60 4.33 -0.14 -0.38 0.04 -1.26 -4.98 135.00 129.02 2qqz s PRO 73 Ca 0.05 1.17 0.01 0.00 0.04 0.00 0.00 61.00 62.27 2qqz s PRO 73 Cb -0.02 -2.38 0.02 0.00 0.04 0.00 0.00 34.50 32.15 2qqz s PRO 73 CO -0.06 0.07 -0.17 0.00 0.04 0.00 0.00 177.00 176.88 2qqz s ALA 74 N -2.00 1.95 -0.16 8.56 0.00 -1.26 -2.04 121.76 126.82 2qqz s ALA 74 Ca 0.58 -0.94 -0.08 0.00 0.00 0.00 0.00 51.96 51.53 2qqz s ALA 74 Cb -0.12 -1.00 -0.04 0.00 0.00 0.00 0.00 23.12 21.95 2qqz s ALA 74 CO 0.16 -0.23 0.11 -0.06 0.00 0.00 0.00 175.76 175.74 2qqz s PHE 75 N 1.20 3.42 0.00 0.00 0.08 0.04 -5.00 117.98 117.73 2qqz s PHE 75 Ca -0.00 0.34 -0.27 0.00 0.12 0.00 0.00 56.93 57.12 2qqz s PHE 75 Cb -0.14 -2.03 -0.04 0.00 -0.57 0.00 0.00 43.02 40.24 2qqz s PHE 75 CO -0.07 0.44 0.85 -0.47 -0.10 0.00 0.00 175.22 175.87 2qqz s TYR 76 N -0.26 3.67 -0.10 0.36 5.04 -1.26 -4.31 117.35 120.48 2qqz s TYR 76 Ca 0.10 1.53 0.03 0.00 -2.44 0.00 0.00 57.07 56.29 2qqz s TYR 76 Cb -0.12 -2.95 0.01 0.00 0.35 0.00 0.00 41.96 39.25 2qqz s TYR 76 CO 0.01 0.11 -0.20 0.08 -1.34 0.00 0.00 175.55 174.21 2qqz s VAL 77 N 0.58 1.82 0.13 3.14 1.01 -1.26 -5.05 120.40 120.76 2qqz s VAL 77 Ca 0.44 -0.86 -0.30 0.00 0.00 0.00 0.00 61.98 61.26 2qqz s VAL 77 Cb -0.20 -1.60 -0.07 0.00 0.00 0.00 0.00 36.38 34.52 2qqz s VAL 77 CO 0.24 0.50 1.08 -0.76 0.00 0.00 0.00 175.10 176.16 2qqz s LEU 78 N 0.58 4.46 -1.00 3.92 1.43 -1.26 -4.14 118.68 122.67 2qqz s LEU 78 Ca -0.14 1.98 -0.02 0.00 -1.03 0.00 0.00 54.13 54.92 2qqz s LEU 78 Cb -0.17 -3.59 0.00 0.00 0.03 0.00 0.00 46.19 42.46 2qqz s LEU 78 CO 0.04 -0.23 0.85 1.17 0.23 0.00 0.00 176.35 178.41 2qqz n LYS 79 N 2.84 -5.65 -0.23 1.70 3.00 -1.26 -4.76 118.16 113.81 2qqz n LYS 79 Ca 0.04 0.68 0.18 0.00 -0.00 0.00 0.00 58.31 59.20 2qqz n LYS 79 Cb 0.47 -5.22 0.50 0.00 0.00 0.00 0.00 35.03 30.78 2qqz n LYS 79 CO 0.00 0.00 0.00 0.97 0.00 0.00 0.00 177.40 178.37 2qqz h ILE 80 N -1.71 0.72 0.00 3.15 2.10 -1.99 -1.50 117.51 118.27 2qqz h ILE 80 Ca -0.47 -0.15 -0.10 0.00 1.08 0.00 0.00 64.86 65.22 2qqz h ILE 80 Cb 1.28 0.24 -0.01 0.00 -1.09 0.00 0.00 36.82 37.24 2qqz h ILE 80 CO 0.42 0.08 -0.48 0.44 -1.08 0.00 0.00 178.15 177.52 2qqz h ASP 81 N 0.44 0.00 0.24 2.19 3.32 -1.96 0.20 116.42 120.84 2qqz h ASP 81 Ca 0.45 0.00 -0.25 0.00 0.02 0.00 0.00 57.03 57.25 2qqz h ASP 81 Cb 1.05 0.00 0.01 0.00 0.22 0.00 0.00 39.33 40.61 2qqz h ASP 81 CO -0.17 0.48 -1.01 -0.08 -1.72 0.00 0.00 179.24 176.75 2qqz h GLU 82 N 0.00 0.51 -0.06 3.56 4.81 -1.67 -2.62 114.58 119.11 2qqz h GLU 82 Ca -0.00 -0.57 0.00 0.00 -0.13 0.00 0.00 59.36 58.66 2qqz h GLU 82 Cb 0.92 0.17 -0.00 0.00 0.63 0.00 0.00 28.75 30.46 2qqz h GLU 82 CO 0.06 1.20 0.04 0.35 -0.73 0.00 0.00 179.01 179.93 2qqz h PHE 83 N 0.28 0.07 -0.38 0.92 3.57 -0.99 -1.97 116.94 118.44 2qqz h PHE 83 Ca -0.11 0.00 0.04 0.00 3.53 0.00 0.00 57.97 61.44 2qqz h PHE 83 Cb 1.66 -0.02 -0.04 0.00 2.79 0.00 0.00 35.95 40.33 2qqz h PHE 83 CO 0.08 0.07 0.15 -0.22 -2.23 0.00 0.00 178.31 176.15 2qqz h LYS 84 N 0.05 0.30 -0.48 1.11 3.64 -0.69 -1.68 116.57 118.82 2qqz h LYS 84 Ca 0.02 -0.02 0.10 0.00 -1.27 0.00 0.00 60.65 59.48 2qqz h LYS 84 Cb 0.02 -0.07 -0.10 0.00 -0.41 0.00 0.00 32.23 31.67 2qqz h LYS 84 CO -0.00 0.20 -0.25 1.96 -2.27 0.00 0.00 179.45 179.09 2qqz h GLN 85 N 0.31 -0.14 -0.24 1.90 4.20 -1.40 -1.05 115.11 118.70 2qqz h GLN 85 Ca 0.17 0.01 -0.01 0.00 0.06 0.00 0.00 58.65 58.88 2qqz h GLN 85 Cb 0.14 0.03 -0.01 0.00 0.30 0.00 0.00 27.48 27.94 2qqz h GLN 85 CO -0.17 -0.09 0.09 0.93 -0.67 0.00 0.00 178.83 178.92 2qqz h GLU 86 N -0.14 0.33 -0.11 1.46 4.39 -0.53 0.19 114.58 120.16 2qqz h GLU 86 Ca 0.22 -0.03 -0.12 0.00 0.34 0.00 0.00 59.36 59.77 2qqz h GLU 86 Cb 0.49 -0.07 0.00 0.00 -0.10 0.00 0.00 28.75 29.08 2qqz h GLU 86 CO -0.57 0.28 -0.40 -0.07 -1.16 0.00 0.00 179.01 177.09 2qqz h LEU 87 N 0.33 0.54 -0.10 1.33 3.38 -0.79 -3.03 115.31 116.97 2qqz h LEU 87 Ca 0.08 -0.62 0.02 0.00 0.09 0.00 0.00 57.88 57.45 2qqz h LEU 87 Cb 0.08 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.65 2qqz h LEU 87 CO -0.01 1.07 -0.00 0.40 0.09 0.00 0.00 178.44 179.99 2qqz h ILE 88 N 0.05 0.93 -1.12 1.22 2.04 -0.22 -1.54 117.51 118.87 2qqz h ILE 88 Ca -0.02 -0.01 0.37 0.00 1.00 0.00 0.00 64.86 66.20 2qqz h ILE 88 Cb 1.03 0.90 -0.14 0.00 -0.74 0.00 0.00 36.82 37.86 2qqz h ILE 88 CO 0.08 0.01 0.68 0.50 0.00 0.00 0.00 178.15 179.42 2qqz h LYS 89 N 0.03 0.19 -0.42 2.37 3.64 -0.69 0.49 116.57 122.18 2qqz h LYS 89 Ca 0.05 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.41 2qqz h LYS 89 Cb 0.05 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 31.83 2qqz h LYS 89 CO -0.08 0.13 0.00 1.04 -2.27 0.00 0.00 179.45 178.27 2qqz n GLN 90 N -4.91 1.97 -1.01 1.90 6.02 -0.64 -4.91 117.38 115.80 2qqz n GLN 90 Ca 0.34 -1.29 -0.00 0.00 -0.01 0.00 0.00 57.00 56.03 2qqz n GLN 90 Cb 1.18 -1.36 -0.00 0.00 1.02 0.00 0.00 30.24 31.08 2qqz n GLN 90 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2qqz n GLY 91 N 0.94 0.47 3.71 1.08 0.00 0.17 -5.02 105.19 106.54 2qqz n GLY 91 Ca 0.12 -0.21 -0.42 0.00 0.00 0.00 0.00 46.02 45.51 2qqz n GLY 91 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2qqz s ILE 92 N -1.96 4.63 0.14 -0.61 -1.09 -0.83 -5.01 121.20 116.47 2qqz s ILE 92 Ca 0.00 1.90 -0.30 0.00 -2.23 0.00 0.00 60.65 60.01 2qqz s ILE 92 Cb 0.00 -4.21 -0.07 0.00 -1.58 0.00 0.00 42.46 36.59 2qqz s ILE 92 CO 0.00 0.15 1.25 -0.70 -1.23 0.00 0.00 174.94 174.41 2qqz s GLU 93 N 0.98 4.43 0.01 2.79 2.12 -1.26 -4.19 118.70 123.58 2qqz s GLU 93 Ca 0.54 1.91 0.08 0.00 0.36 0.00 0.00 54.97 57.86 2qqz s GLU 93 Cb -0.23 -3.26 -0.02 0.00 0.26 0.00 0.00 34.13 30.87 2qqz s GLU 93 CO 0.28 -0.22 -0.24 0.14 -0.54 0.00 0.00 175.26 174.68 2qqz s VAL 94 N 0.48 1.94 -0.29 3.70 -7.23 -1.26 -4.57 120.40 113.17 2qqz s VAL 94 Ca 0.57 -1.17 0.03 0.00 -1.81 0.00 0.00 61.98 59.60 2qqz s VAL 94 Cb -0.33 -1.64 0.07 0.00 0.56 0.00 0.00 36.38 35.04 2qqz s VAL 94 CO 0.34 0.44 -0.05 -0.63 -0.31 0.00 0.00 175.10 174.88 2qqz s ILE 95 N -0.67 2.28 0.69 -0.62 1.01 -0.04 -4.96 121.20 118.88 2qqz s ILE 95 Ca 0.10 -1.84 -0.14 0.00 0.00 0.00 0.00 60.65 58.77 2qqz s ILE 95 Cb -0.09 -2.45 0.01 0.00 0.01 0.00 0.00 42.46 39.94 2qqz s ILE 95 CO 0.00 -0.22 1.10 -1.81 0.00 0.00 0.00 174.94 174.02 2qqz s ASP 96 N 1.07 4.97 -0.04 3.58 1.01 -1.26 -0.31 116.67 125.69 2qqz s ASP 96 Ca -0.02 1.95 -0.01 0.00 0.71 0.00 0.00 52.55 55.18 2qqz s ASP 96 Cb -0.20 -2.54 0.03 0.00 1.01 0.00 0.00 42.92 41.22 2qqz s ASP 96 CO -0.06 -1.72 0.04 -0.62 0.21 0.00 0.00 175.17 173.02 2qqz s ASP 97 N -2.79 0.78 -0.06 0.27 -1.08 -0.78 -4.85 116.67 108.16 2qqz s ASP 97 Ca 0.65 0.04 0.11 0.00 -0.52 0.00 0.00 52.55 52.83 2qqz s ASP 97 Cb -0.20 -0.16 0.33 0.00 -1.46 0.00 0.00 42.92 41.43 2qqz s ASP 97 CO 0.45 -0.19 1.26 1.41 0.52 0.00 0.00 175.17 178.63 2qqz n HIS 98 N 4.80 0.51 0.18 -5.34 8.25 -1.26 -4.21 115.22 118.15 2qqz n HIS 98 Ca -0.14 -0.63 0.06 0.00 -0.26 0.00 0.00 57.72 56.75 2qqz n HIS 98 Cb 0.50 -0.12 0.22 0.00 1.12 0.00 0.00 29.99 31.72 2qqz n HIS 98 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2qqz h ALA 99 N 1.61 0.85 -2.96 -1.41 0.00 -1.96 -3.39 119.26 112.00 2qqz h ALA 99 Ca 0.00 -0.35 -0.71 0.00 0.00 0.00 0.00 54.91 53.86 2qqz h ALA 99 Cb 0.91 -0.06 -0.32 0.00 0.00 0.00 0.00 17.79 18.32 2qqz h ALA 99 CO 0.06 0.48 -0.50 0.50 0.00 0.00 0.00 179.25 179.79 2qqz s ARG 100 N -3.31 2.23 0.25 0.00 3.52 -1.26 -4.99 118.95 115.39 2qqz s ARG 100 Ca 0.02 -1.74 0.26 0.00 -0.13 0.00 0.00 55.73 54.14 2qqz s ARG 100 Cb 0.09 -3.69 0.77 0.00 -1.56 0.00 0.00 34.95 30.55 2qqz s ARG 100 CO 0.70 -1.08 1.75 -1.00 -0.81 0.00 0.00 175.30 174.87 2qqz h PRO 101 N 8.21 0.00 -0.00 5.12 0.13 -1.97 -2.69 132.00 140.81 2qqz h PRO 101 Ca -0.17 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.96 2qqz h PRO 101 Cb 1.06 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.19 2qqz h PRO 101 CO 0.75 0.00 -0.15 -0.25 -0.23 0.00 0.00 178.00 178.12 2qqz n ASP 102 N -2.38 0.23 -4.13 1.44 9.92 -1.26 -4.88 116.55 115.49 2qqz n ASP 102 Ca 0.05 0.02 -0.24 0.00 -0.53 0.00 0.00 54.79 54.08 2qqz n ASP 102 Cb 0.43 -0.20 -0.16 0.00 -0.64 0.00 0.00 41.12 40.55 2qqz n ASP 102 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 2qqz s VAL 103 N -2.84 1.30 -0.07 2.53 1.01 -1.01 -0.39 120.40 120.92 2qqz s VAL 103 Ca 0.18 -0.68 -0.12 0.00 0.00 0.00 0.00 61.98 61.36 2qqz s VAL 103 Cb 0.19 -1.10 -0.05 0.00 0.00 0.00 0.00 36.38 35.42 2qqz s VAL 103 CO 0.55 0.37 0.30 -0.63 0.00 0.00 0.00 175.10 175.70 2qqz s ILE 104 N -0.19 5.24 0.08 2.22 1.01 -0.19 -4.75 121.20 124.62 2qqz s ILE 104 Ca 0.02 0.59 -0.26 0.00 0.00 0.00 0.00 60.65 61.00 2qqz s ILE 104 Cb -0.08 -3.60 0.08 0.00 0.01 0.00 0.00 42.46 38.87 2qqz s ILE 104 CO 0.00 0.54 0.77 0.00 0.00 0.00 0.00 174.94 176.26 2qqz s ARG 105 N -0.68 1.07 0.18 2.79 1.70 -1.26 -1.09 118.95 121.66 2qqz s ARG 105 Ca 0.20 -0.43 -0.22 0.00 -0.47 0.00 0.00 55.73 54.81 2qqz s ARG 105 Cb -0.14 0.47 0.06 0.00 -0.57 0.00 0.00 34.95 34.77 2qqz s ARG 105 CO 0.08 -0.47 0.61 -0.59 -1.08 0.00 0.00 175.30 173.85 2qqz s PHE 106 N -3.42 -0.44 0.13 5.89 -0.12 -0.27 -1.87 117.98 117.88 2qqz s PHE 106 Ca 0.04 0.17 0.08 0.00 -0.05 0.00 0.00 56.93 57.18 2qqz s PHE 106 Cb -0.01 0.56 -0.04 0.00 -0.63 0.00 0.00 43.02 42.90 2qqz s PHE 106 CO -0.09 -0.91 -0.13 0.71 -0.05 0.00 0.00 175.22 174.75 2qqz s TYR 107 N -3.79 2.64 0.20 3.49 2.02 0.58 -0.98 117.35 121.51 2qqz s TYR 107 Ca 0.03 -0.21 0.03 0.00 -0.37 0.00 0.00 57.07 56.55 2qqz s TYR 107 Cb -0.02 -1.36 -0.05 0.00 -0.40 0.00 0.00 41.96 40.14 2qqz s TYR 107 CO -0.09 0.44 -0.00 0.14 -1.57 0.00 0.00 175.55 174.47 2qqz s VAL 108 N -1.35 0.85 -0.11 0.71 -7.23 -0.38 -0.86 120.40 112.03 2qqz s VAL 108 Ca 0.21 -2.01 -0.04 0.00 -1.81 0.00 0.00 61.98 58.33 2qqz s VAL 108 Cb -0.10 -2.22 -0.04 0.00 0.56 0.00 0.00 36.38 34.58 2qqz s VAL 108 CO 0.13 -0.40 0.04 -0.44 -0.31 0.00 0.00 175.10 174.12 2qqz s SER 109 N -3.23 5.53 1.12 4.85 0.01 -1.26 -1.13 113.70 119.58 2qqz s SER 109 Ca 0.26 0.19 -0.19 0.00 1.31 0.00 0.00 55.95 57.52 2qqz s SER 109 Cb 0.06 -1.71 0.27 0.00 0.21 0.00 0.00 66.02 64.84 2qqz s SER 109 CO 0.06 0.34 1.24 1.51 0.41 0.00 0.00 173.24 176.80 2qqz s ASP 110 N -0.62 1.72 0.20 2.44 1.47 0.37 -4.87 116.67 117.38 2qqz s ASP 110 Ca 0.11 0.31 0.14 0.00 1.18 0.00 0.00 52.55 54.29 2qqz s ASP 110 Cb -0.12 -0.34 0.74 0.00 -0.34 0.00 0.00 42.92 42.86 2qqz s ASP 110 CO 0.02 -3.60 1.43 -2.65 0.68 0.00 0.00 175.17 171.05 2qqz n PRO 111 N -4.36 0.09 -0.04 2.11 -0.02 -1.26 -2.01 135.00 129.52 2qqz n PRO 111 Ca 0.16 0.56 0.07 0.00 -2.02 0.00 0.00 63.50 62.27 2qqz n PRO 111 Cb 0.59 -1.78 0.08 0.00 -0.02 0.00 0.00 33.50 32.38 2qqz n PRO 111 CO 0.00 0.00 0.00 1.19 1.98 0.00 0.00 175.50 178.67 2qqz n PHE 112 N -1.97 0.10 -0.28 6.00 3.72 -1.26 -4.96 117.46 118.82 2qqz n PHE 112 Ca -0.01 -0.09 0.00 0.00 -0.05 0.00 0.00 57.45 57.30 2qqz n PHE 112 Cb 0.04 -0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.58 2qqz n PHE 112 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2qqz n GLY 113 N 0.77 0.74 3.72 1.37 0.00 -0.85 -4.62 105.19 106.33 2qqz n GLY 113 Ca 0.09 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.70 2qqz n GLY 113 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2qqz s ASN 114 N -2.53 7.07 0.21 1.61 0.01 -1.26 -4.35 114.94 115.69 2qqz s ASN 114 Ca 0.00 2.12 -0.30 0.00 -0.71 0.00 0.00 52.86 53.98 2qqz s ASN 114 Cb 0.00 -2.59 -0.08 0.00 0.41 0.00 0.00 41.25 38.99 2qqz s ASN 114 CO 0.00 -0.44 1.20 -0.60 -1.51 0.00 0.00 177.10 175.75 2qqz s ARG 115 N 0.55 4.49 -0.01 -0.60 3.52 0.15 -0.48 118.95 126.56 2qqz s ARG 115 Ca 0.57 1.90 0.03 0.00 -0.13 0.00 0.00 55.73 58.11 2qqz s ARG 115 Cb -0.31 -3.22 -0.01 0.00 -1.56 0.00 0.00 34.95 29.85 2qqz s ARG 115 CO 0.32 -0.07 -0.12 0.42 -0.81 0.00 0.00 175.30 175.04 2qqz s ILE 116 N -0.25 0.93 -0.06 4.11 -1.09 -0.29 -4.46 121.20 120.10 2qqz s ILE 116 Ca 0.52 -0.49 0.03 0.00 -2.23 0.00 0.00 60.65 58.48 2qqz s ILE 116 Cb -0.33 -0.78 -0.03 0.00 -1.58 0.00 0.00 42.46 39.74 2qqz s ILE 116 CO 0.38 0.27 -0.13 -0.70 -1.23 0.00 0.00 174.94 173.53 2qqz s GLU 117 N -0.18 2.61 0.30 2.79 2.12 -0.87 -1.24 118.70 124.23 2qqz s GLU 117 Ca 0.03 -0.67 0.10 0.00 0.36 0.00 0.00 54.97 54.79 2qqz s GLU 117 Cb -0.06 -2.44 -0.05 0.00 0.26 0.00 0.00 34.13 31.85 2qqz s GLU 117 CO -0.00 0.60 -0.04 -0.06 -0.54 0.00 0.00 175.26 175.22 2qqz s PHE 118 N -0.67 2.53 -0.26 5.30 0.08 -0.15 -0.78 117.98 124.03 2qqz s PHE 118 Ca 0.10 -0.35 -0.26 0.00 0.12 0.00 0.00 56.93 56.54 2qqz s PHE 118 Cb -0.11 -1.28 0.13 0.00 -0.57 0.00 0.00 43.02 41.19 2qqz s PHE 118 CO 0.01 0.58 1.08 -2.00 -0.10 0.00 0.00 175.22 174.79 2qqz s GLU 120 N -3.65 0.46 0.44 0.44 2.12 -0.25 -1.11 118.70 117.14 2qqz s GLU 120 Ca 0.33 0.43 -0.25 0.00 0.36 0.00 0.00 54.97 55.83 2qqz s GLU 120 Cb -0.03 0.22 -0.08 0.00 0.26 0.00 0.00 34.13 34.50 2qqz s GLU 120 CO 0.18 -0.08 1.40 -0.80 -0.54 0.00 0.00 175.26 175.43 2qqz s ASN 121 N -0.08 5.96 0.41 -1.70 0.01 -1.26 -1.02 114.94 117.26 2qqz s ASN 121 Ca 0.03 2.87 -0.25 0.00 -0.71 0.00 0.00 52.86 54.80 2qqz s ASN 121 Cb -0.04 -2.65 -0.08 0.00 0.41 0.00 0.00 41.25 38.89 2qqz s ASN 121 CO -0.06 -1.11 1.18 -0.54 -1.51 0.00 0.00 177.10 175.06 2qqz s LYS 122 N -2.41 3.99 0.00 -0.60 1.02 0.48 -4.81 119.74 117.41 2qqz s LYS 122 Ca 0.60 1.85 0.30 0.00 0.02 0.00 0.00 55.97 58.74 2qqz s LYS 122 Cb -0.43 -2.63 1.51 0.00 -0.52 0.00 0.00 37.83 35.77 2qqz s LYS 122 CO 0.55 -0.38 2.01 0.09 -0.92 0.00 0.00 175.35 176.70