#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qbk s LYS 2 N 0.00 0.51 -0.29 0.00 0.00 -1.26 -5.14 119.74 113.57 2qbk s LYS 2 Ca 0.00 1.08 0.04 0.00 0.00 0.00 0.00 55.97 57.09 2qbk s LYS 2 Cb 0.00 0.23 0.19 0.00 0.00 0.00 0.00 37.83 38.25 2qbk s LYS 2 CO 0.00 -0.18 0.55 0.15 0.00 0.00 0.00 175.35 175.87 2qbk s LYS 3 N 1.92 0.53 0.01 1.78 3.01 -1.26 -5.16 119.74 120.57 2qbk s LYS 3 Ca -0.08 0.51 -0.07 0.00 -1.01 0.00 0.00 55.97 55.32 2qbk s LYS 3 Cb -0.08 0.16 -0.00 0.00 -1.01 0.00 0.00 37.83 36.89 2qbk s LYS 3 CO -0.16 -1.00 0.13 0.54 0.51 0.00 0.00 175.35 175.37 2qbk s VAL 4 N 2.77 0.09 0.80 3.17 0.11 -1.26 -5.17 120.40 120.92 2qbk s VAL 4 Ca 0.11 -0.77 -0.22 0.00 -2.93 0.00 0.00 61.98 58.17 2qbk s VAL 4 Cb -0.11 -0.53 -0.16 0.00 -1.53 0.00 0.00 36.38 34.05 2qbk s VAL 4 CO -0.26 -0.42 -1.24 0.00 -3.33 0.00 0.00 175.10 169.85 2qbk n GLN 5 N 1.29 0.00 0.00 1.54 10.64 -1.26 -4.93 117.38 124.67 2qbk n GLN 5 Ca -0.22 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 54.95 2qbk n GLN 5 Cb 0.56 -0.80 0.00 0.00 -0.86 0.00 0.00 30.24 29.14 2qbk n GLN 5 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 2qbk n ALA 6 N -2.81 -1.06 -2.99 2.61 0.00 -1.26 -5.01 120.51 109.99 2qbk n ALA 6 Ca -0.02 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.28 2qbk n ALA 6 Cb 0.60 -0.33 0.02 0.00 0.00 0.00 0.00 19.45 19.73 2qbk n ALA 6 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.50 178.48 2qbk n TYR 7 N 0.03 -3.29 -2.92 0.00 4.19 -1.26 -4.99 117.16 108.92 2qbk n TYR 7 Ca 0.00 1.35 -0.25 0.00 3.31 0.00 0.00 57.90 62.30 2qbk n TYR 7 Cb 0.00 -3.53 0.00 0.00 0.49 0.00 0.00 39.34 36.30 2qbk n TYR 7 CO 0.00 0.00 0.00 0.14 0.91 0.00 0.00 176.86 177.91 2qbk s VAL 8 N -2.27 4.65 -0.00 2.97 -7.23 0.92 -4.94 120.40 114.50 2qbk s VAL 8 Ca 0.26 -0.17 0.01 0.00 -1.81 0.00 0.00 61.98 60.27 2qbk s VAL 8 Cb -0.06 -3.74 -0.00 0.00 0.56 0.00 0.00 36.38 33.14 2qbk s VAL 8 CO 0.78 -0.61 -0.04 -0.54 -0.31 0.00 0.00 175.10 174.37 2qbk s LYS 9 N -4.60 0.37 -0.02 4.82 1.02 -1.26 -0.71 119.74 119.36 2qbk s LYS 9 Ca 0.46 -0.16 -0.30 0.00 0.02 0.00 0.00 55.97 55.99 2qbk s LYS 9 Cb -0.10 -0.36 0.07 0.00 -0.52 0.00 0.00 37.83 36.92 2qbk s LYS 9 CO 0.41 0.09 0.68 -0.48 -0.92 0.00 0.00 175.35 175.13 2qbk s LEU 10 N -0.09 -0.64 -0.50 3.17 0.05 -0.65 -5.00 118.68 115.03 2qbk s LEU 10 Ca 0.02 0.60 -0.08 0.00 0.05 0.00 0.00 54.13 54.71 2qbk s LEU 10 Cb -0.02 2.53 0.13 0.00 -2.05 0.00 0.00 46.19 46.77 2qbk s LEU 10 CO -0.00 -0.66 0.36 -1.10 -0.55 0.00 0.00 176.35 174.40 2qbk s GLN 11 N -1.58 2.48 0.08 1.48 -0.21 -1.26 -0.45 119.66 120.20 2qbk s GLN 11 Ca -0.09 -1.88 0.06 0.00 0.02 0.00 0.00 55.36 53.47 2qbk s GLN 11 Cb -0.00 -3.89 -0.04 0.00 1.00 0.00 0.00 33.01 30.08 2qbk s GLN 11 CO 0.06 -1.18 -0.05 0.54 -2.12 0.00 0.00 175.29 172.53 2qbk s VAL 12 N 1.15 3.68 1.02 1.09 0.11 -1.21 -4.92 120.40 121.32 2qbk s VAL 12 Ca 0.08 -1.07 -0.16 0.00 -2.93 0.00 0.00 61.98 57.89 2qbk s VAL 12 Cb -0.24 -2.72 0.04 0.00 -1.53 0.00 0.00 36.38 31.93 2qbk s VAL 12 CO -0.02 0.16 0.09 0.00 -3.33 0.00 0.00 175.10 172.00 2qbk n ALA 13 N 0.79 -3.53 -0.81 1.54 0.00 -1.26 -2.77 120.51 114.46 2qbk n ALA 13 Ca -0.13 -0.91 0.00 0.00 0.00 0.00 0.00 53.44 52.41 2qbk n ALA 13 Cb 0.52 -1.61 0.00 0.00 0.00 0.00 0.00 19.45 18.37 2qbk n ALA 13 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2qbk n ALA 14 N -3.84 -0.09 -3.09 0.00 0.00 -1.20 -4.22 120.51 108.07 2qbk n ALA 14 Ca 0.03 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.05 2qbk n ALA 14 Cb 0.58 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.03 2qbk n ALA 14 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2qbk n GLY 15 N -0.58 4.98 3.65 0.00 0.00 -1.26 -4.56 105.19 107.42 2qbk n GLY 15 Ca 0.00 -2.66 -0.02 0.00 0.00 0.00 0.00 46.02 43.34 2qbk n GLY 15 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 2qbk s MET 16 N -2.51 0.14 0.04 1.61 -2.45 -1.26 -5.03 119.30 109.83 2qbk s MET 16 Ca 0.31 0.20 -0.29 0.00 -1.25 0.00 0.00 55.69 54.66 2qbk s MET 16 Cb 0.03 0.05 0.10 0.00 1.25 0.00 0.00 34.83 36.26 2qbk s MET 16 CO 0.07 -0.02 1.16 0.00 1.05 0.00 0.00 175.02 177.28 2qbk s ALA 17 N 0.55 -2.02 0.00 4.11 0.00 -1.26 -4.39 121.76 118.75 2qbk s ALA 17 Ca -0.00 0.54 0.00 0.00 0.00 0.00 0.00 51.96 52.49 2qbk s ALA 17 Cb -0.04 0.44 0.00 0.00 0.00 0.00 0.00 23.12 23.52 2qbk s ALA 17 CO -0.12 -1.03 0.00 -1.71 0.00 0.00 0.00 175.76 172.90 2qbk n ASN 18 N -0.46 0.00 -4.56 0.00 2.85 -1.26 -4.98 115.26 106.84 2qbk n ASN 18 Ca -0.07 0.00 -0.43 0.00 -0.11 0.00 0.00 54.58 53.97 2qbk n ASN 18 Cb 0.62 0.00 -0.00 0.00 1.24 0.00 0.00 39.78 41.64 2qbk n ASN 18 CO 0.00 0.00 0.00 -2.65 -2.11 0.00 0.00 177.26 172.50 2qbk n PRO 19 N -0.39 1.12 0.32 1.20 -0.02 -1.26 -4.30 135.00 131.68 2qbk n PRO 19 Ca 0.00 0.40 -0.15 0.00 -2.02 0.00 0.00 63.50 61.73 2qbk n PRO 19 Cb 0.00 -1.80 -0.08 0.00 -0.02 0.00 0.00 33.50 31.60 2qbk n PRO 19 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 2qbk h SER 20 N 1.53 -0.71 0.12 2.55 0.87 -1.97 -0.74 113.55 115.19 2qbk h SER 20 Ca -0.41 -0.02 0.02 0.00 -1.23 0.00 0.00 61.79 60.15 2qbk h SER 20 Cb 1.36 0.18 -0.04 0.00 -0.44 0.00 0.00 62.40 63.46 2qbk h SER 20 CO 0.57 -0.36 -0.33 -0.65 -0.53 0.00 0.00 176.83 175.53 2qbk h PRO 21 N -1.10 -0.53 0.46 2.24 0.11 -1.99 -3.19 132.00 128.01 2qbk h PRO 21 Ca -0.09 0.04 -0.02 0.00 0.11 0.00 0.00 66.00 66.04 2qbk h PRO 21 Cb 0.69 0.12 0.00 0.00 0.11 0.00 0.00 31.00 31.93 2qbk h PRO 21 CO 0.14 -0.35 -0.22 -1.35 -0.21 0.00 0.00 178.00 176.01 2qbk h PRO 22 N -0.55 -0.60 0.00 1.05 0.11 -1.96 -3.46 132.00 126.60 2qbk h PRO 22 Ca 0.03 0.04 0.00 0.00 0.11 0.00 0.00 66.00 66.18 2qbk h PRO 22 Cb 0.58 0.14 0.00 0.00 0.11 0.00 0.00 31.00 31.83 2qbk h PRO 22 CO -0.19 -0.33 0.00 0.28 -0.21 0.00 0.00 178.00 177.54 2qbk n VAL 23 N -5.30 0.00 0.00 3.15 0.31 -0.32 -4.80 118.33 111.36 2qbk n VAL 23 Ca -0.11 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.22 2qbk n VAL 23 Cb 0.29 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.22 2qbk n VAL 23 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2qbk n GLY 24 N 5.00 1.88 0.47 2.92 0.00 -0.96 -1.61 105.19 112.89 2qbk n GLY 24 Ca 0.00 0.54 0.36 0.00 0.00 0.00 0.00 46.02 46.92 2qbk n GLY 24 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 2qbk h PRO 25 N 0.00 0.12 -0.03 1.61 0.11 -1.87 0.19 132.00 132.12 2qbk h PRO 25 Ca 0.00 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.11 2qbk h PRO 25 Cb 0.00 -0.03 -0.01 0.00 0.11 0.00 0.00 31.00 31.08 2qbk h PRO 25 CO 0.00 0.08 -0.03 0.00 -0.21 0.00 0.00 178.00 177.84 2qbk h ALA 26 N 1.57 -0.23 0.00 -0.75 0.00 -1.55 -2.60 119.26 115.70 2qbk h ALA 26 Ca 0.78 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.70 2qbk h ALA 26 Cb 2.47 0.82 0.00 0.00 0.00 0.00 0.00 17.79 21.08 2qbk h ALA 26 CO -0.37 -0.24 -0.76 1.47 0.00 0.00 0.00 179.25 179.34 2qbk n LEU 27 N -2.94 0.66 0.02 0.00 -0.00 -1.07 -4.05 117.00 109.63 2qbk n LEU 27 Ca -0.00 0.14 0.13 0.00 -0.00 0.00 0.00 56.01 56.27 2qbk n LEU 27 Cb 0.02 -0.15 0.58 0.00 -0.00 0.00 0.00 43.42 43.86 2qbk n LEU 27 CO -0.00 -0.01 1.16 1.23 -0.00 0.00 0.00 177.39 179.76 2qbk h GLY 28 N 4.54 0.28 0.96 1.47 0.00 -0.31 -1.36 103.07 108.65 2qbk h GLY 28 Ca 0.00 -0.09 -0.01 0.00 0.00 0.00 0.00 47.33 47.23 2qbk h GLY 28 CO 0.00 0.06 0.19 1.46 0.00 0.00 0.00 176.54 178.24 2qbk h GLN 29 N 0.21 0.51 -0.19 4.80 4.20 -1.61 -2.23 115.11 120.80 2qbk h GLN 29 Ca 0.20 -0.07 0.06 0.00 0.06 0.00 0.00 58.65 58.90 2qbk h GLN 29 Cb 0.51 -0.10 -0.01 0.00 0.30 0.00 0.00 27.48 28.19 2qbk h GLN 29 CO -0.04 0.44 0.16 1.96 -0.67 0.00 0.00 178.83 180.68 2qbk h GLN 30 N 0.45 0.00 0.00 1.46 1.08 -1.49 -3.45 115.11 113.16 2qbk h GLN 30 Ca 0.13 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.33 2qbk h GLN 30 Cb 0.09 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.52 2qbk h GLN 30 CO -0.02 0.00 0.00 0.41 -0.95 0.00 0.00 178.83 178.27 2qbk n GLY 31 N -1.51 1.60 3.81 3.46 0.00 -0.84 -5.02 105.19 106.70 2qbk n GLY 31 Ca 0.02 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.71 2qbk n GLY 31 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2qbk s VAL 32 N -2.00 4.07 -0.74 1.61 1.01 -1.16 -4.83 120.40 118.36 2qbk s VAL 32 Ca 0.00 1.10 -0.19 0.00 0.00 0.00 0.00 61.98 62.89 2qbk s VAL 32 Cb 0.00 -3.52 0.12 0.00 0.00 0.00 0.00 36.38 32.98 2qbk s VAL 32 CO 0.00 -0.46 0.90 0.20 0.00 0.00 0.00 175.10 175.74 2qbk s ASN 33 N -2.57 6.39 0.06 3.32 0.02 -1.26 -4.68 114.94 116.21 2qbk s ASN 33 Ca 0.63 -1.68 -0.12 0.00 -1.02 0.00 0.00 52.86 50.68 2qbk s ASN 33 Cb -0.14 -2.35 -0.03 0.00 0.02 0.00 0.00 41.25 38.76 2qbk s ASN 33 CO 0.28 -1.11 1.20 0.40 0.02 0.00 0.00 177.10 177.89 2qbk h ILE 34 N 5.78 0.00 -0.57 0.60 1.08 -1.94 -2.35 117.51 120.11 2qbk h ILE 34 Ca -0.11 0.00 0.08 0.00 -0.39 0.00 0.00 64.86 64.45 2qbk h ILE 34 Cb 1.06 0.00 -0.10 0.00 -3.07 0.00 0.00 36.82 34.71 2qbk h ILE 34 CO 1.08 0.00 -0.46 -0.03 -0.69 0.00 0.00 178.15 178.05 2qbk h MET 35 N -0.04 -0.24 -0.33 2.37 4.05 -1.97 -0.32 114.93 118.45 2qbk h MET 35 Ca 0.05 0.02 0.07 0.00 -0.28 0.00 0.00 59.70 59.56 2qbk h MET 35 Cb 0.17 0.05 -0.08 0.00 -0.80 0.00 0.00 31.60 30.94 2qbk h MET 35 CO -0.31 -0.16 -0.24 1.49 0.23 0.00 0.00 176.91 177.92 2qbk h GLU 36 N -0.24 -0.20 -0.47 0.39 4.81 -1.90 -2.09 114.58 114.87 2qbk h GLU 36 Ca 0.16 0.01 -0.00 0.00 -0.13 0.00 0.00 59.36 59.40 2qbk h GLU 36 Cb 0.56 0.04 -0.02 0.00 0.63 0.00 0.00 28.75 29.97 2qbk h GLU 36 CO -0.68 -0.13 0.28 0.35 -0.73 0.00 0.00 179.01 178.10 2qbk h PHE 37 N -0.20 0.62 -0.36 0.92 3.57 -0.89 0.16 116.94 120.75 2qbk h PHE 37 Ca 0.17 -0.00 0.07 0.00 3.53 0.00 0.00 57.97 61.73 2qbk h PHE 37 Cb 0.46 -0.20 -0.09 0.00 2.79 0.00 0.00 35.95 38.91 2qbk h PHE 37 CO -0.44 0.44 -0.41 0.00 -2.23 0.00 0.00 178.31 175.67 2qbk h LYS 39 N -0.34 0.78 0.04 0.00 1.79 -1.36 -2.72 116.57 114.76 2qbk h LYS 39 Ca 0.14 -0.48 0.01 0.00 -2.18 0.00 0.00 60.65 58.13 2qbk h LYS 39 Cb 0.58 0.05 -0.01 0.00 -1.58 0.00 0.00 32.23 31.27 2qbk h LYS 39 CO -0.54 1.11 -0.06 0.00 -1.08 0.00 0.00 179.45 178.87 2qbk h ALA 40 N 0.66 -0.10 0.35 3.86 0.00 0.01 -1.07 119.26 122.97 2qbk h ALA 40 Ca 0.02 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.91 2qbk h ALA 40 Cb 1.05 0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.94 2qbk h ALA 40 CO 0.10 -0.57 -0.17 0.35 0.00 0.00 0.00 179.25 178.96 2qbk h PHE 41 N -0.13 -0.46 0.00 0.00 3.57 0.74 -2.68 116.94 117.98 2qbk h PHE 41 Ca 0.01 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.50 2qbk h PHE 41 Cb 0.14 0.15 0.00 0.00 2.79 0.00 0.00 35.95 39.04 2qbk h PHE 41 CO -0.11 -0.28 0.31 -0.91 -2.23 0.00 0.00 178.31 175.08 2qbk h ASN 42 N -0.48 0.00 0.38 0.41 2.35 -1.53 -1.49 115.58 115.23 2qbk h ASN 42 Ca -0.05 0.00 -0.02 0.00 -0.55 0.00 0.00 56.30 55.68 2qbk h ASN 42 Cb 0.37 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.74 2qbk h ASN 42 CO 0.07 0.00 -0.18 0.00 -1.65 0.00 0.00 177.43 175.67 2qbk h ALA 43 N 1.26 -0.51 0.00 -0.83 0.00 -0.83 -3.08 119.26 115.27 2qbk h ALA 43 Ca 0.00 -0.18 -0.10 0.00 0.00 0.00 0.00 54.91 54.63 2qbk h ALA 43 Cb 0.61 0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.59 2qbk h ALA 43 CO 0.00 -0.65 -0.50 0.87 0.00 0.00 0.00 179.25 178.97 2qbk h LYS 44 N -0.79 0.00 0.00 0.00 1.57 -1.32 -3.16 116.57 112.87 2qbk h LYS 44 Ca -0.05 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.73 2qbk h LYS 44 Cb 0.53 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.84 2qbk h LYS 44 CO 0.09 0.50 0.00 1.79 -0.57 0.00 0.00 179.45 181.26 2qbk h THR 45 N 0.00 0.00 -0.23 -0.16 1.35 -1.33 -1.81 112.91 110.72 2qbk h THR 45 Ca -0.00 -0.10 -0.04 0.00 -0.55 0.00 0.00 66.41 65.72 2qbk h THR 45 Cb 1.30 0.76 -0.01 0.00 -1.73 0.00 0.00 68.15 68.47 2qbk h THR 45 CO 0.06 0.00 0.00 0.44 -0.25 0.00 0.00 175.52 175.78 2qbk h ASP 46 N 0.00 0.40 -0.25 5.36 3.32 -1.50 -3.07 116.42 120.68 2qbk h ASP 46 Ca 0.00 -0.31 -0.05 0.00 0.02 0.00 0.00 57.03 56.69 2qbk h ASP 46 Cb 0.13 -0.11 -0.01 0.00 0.22 0.00 0.00 39.33 39.57 2qbk h ASP 46 CO 0.00 0.61 -0.03 0.28 -1.72 0.00 0.00 179.24 178.38 2qbk h SER 47 N 0.18 0.46 -4.27 6.45 0.02 -1.55 -3.43 113.55 111.42 2qbk h SER 47 Ca 0.07 -0.34 -0.51 0.00 -0.84 0.00 0.00 61.79 60.16 2qbk h SER 47 Cb 0.41 -0.13 0.13 0.00 0.14 0.00 0.00 62.40 62.95 2qbk h SER 47 CO 0.01 0.69 0.33 -0.51 -1.14 0.00 0.00 176.83 176.21 2qbk s ILE 48 N -4.87 3.10 -0.41 3.27 2.07 -1.02 -4.83 121.20 118.52 2qbk s ILE 48 Ca -0.14 0.42 -0.42 0.00 -1.41 0.00 0.00 60.65 59.10 2qbk s ILE 48 Cb 0.07 -2.87 -0.17 0.00 0.13 0.00 0.00 42.46 39.62 2qbk s ILE 48 CO 0.76 -0.41 1.87 -0.62 -1.91 0.00 0.00 174.94 174.62 2qbk n GLU 49 N -3.20 0.54 -2.85 3.50 -0.58 -1.26 -4.85 120.64 111.94 2qbk n GLU 49 Ca 0.10 0.18 -0.38 0.00 -0.42 0.00 0.00 57.16 56.64 2qbk n GLU 49 Cb 0.52 -1.85 -0.06 0.00 -0.57 0.00 0.00 31.44 29.49 2qbk n GLU 49 CO 0.00 0.00 0.00 0.15 -0.48 0.00 0.00 177.13 176.80 2qbk s LYS 50 N 4.39 4.64 0.00 3.49 1.02 -1.26 -3.50 119.74 128.52 2qbk s LYS 50 Ca 1.07 1.29 0.00 0.00 0.02 0.00 0.00 55.97 58.35 2qbk s LYS 50 Cb -1.26 -3.08 0.00 0.00 -0.52 0.00 0.00 37.83 32.97 2qbk s LYS 50 CO 0.68 0.44 0.00 0.41 -0.92 0.00 0.00 175.35 175.96 2qbk n GLY 51 N 1.13 1.15 3.45 -3.33 0.00 -1.26 -5.02 105.19 101.31 2qbk n GLY 51 Ca -0.02 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.65 2qbk n GLY 51 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2qbk s LEU 52 N 0.00 3.29 -0.26 0.99 1.43 -1.23 -4.86 118.68 118.05 2qbk s LEU 52 Ca 0.00 -0.19 -0.28 0.00 -1.03 0.00 0.00 54.13 52.62 2qbk s LEU 52 Cb 0.00 -1.84 -0.03 0.00 0.03 0.00 0.00 46.19 44.35 2qbk s LEU 52 CO 0.00 0.06 1.96 -2.16 0.23 0.00 0.00 176.35 176.43 2qbk s PRO 53 N 1.05 3.33 -0.19 1.29 0.04 -1.26 -3.21 135.00 136.05 2qbk s PRO 53 Ca 0.02 1.74 -0.03 0.00 0.04 0.00 0.00 61.00 62.78 2qbk s PRO 53 Cb -0.14 -4.25 -0.01 0.00 0.04 0.00 0.00 34.50 30.13 2qbk s PRO 53 CO 0.02 -1.86 -0.07 -1.50 0.04 0.00 0.00 177.00 173.63 2qbk s ILE 54 N 7.19 3.37 -0.14 0.56 -1.16 -1.12 -4.21 121.20 125.70 2qbk s ILE 54 Ca 0.88 -0.52 -0.29 0.00 -0.51 0.00 0.00 60.65 60.21 2qbk s ILE 54 Cb -0.28 -2.49 -0.02 0.00 0.61 0.00 0.00 42.46 40.28 2qbk s ILE 54 CO 0.34 0.46 1.20 -2.16 -2.81 0.00 0.00 174.94 171.97 2qbk s PRO 55 N 0.99 4.28 0.01 3.50 0.04 -1.26 -3.32 135.00 139.24 2qbk s PRO 55 Ca -0.00 1.61 0.06 0.00 0.04 0.00 0.00 61.00 62.70 2qbk s PRO 55 Cb -0.15 -3.67 -0.03 0.00 0.04 0.00 0.00 34.50 30.69 2qbk s PRO 55 CO 0.00 -0.59 -0.16 0.54 0.04 0.00 0.00 177.00 176.82 2qbk s VAL 56 N 2.98 2.91 -0.29 -0.36 0.11 0.41 -3.52 120.40 122.64 2qbk s VAL 56 Ca 0.53 -1.00 -0.04 0.00 -2.93 0.00 0.00 61.98 58.54 2qbk s VAL 56 Cb -0.21 -2.19 0.03 0.00 -1.53 0.00 0.00 36.38 32.48 2qbk s VAL 56 CO 0.16 0.43 0.02 -0.69 -3.33 0.00 0.00 175.10 171.69 2qbk s VAL 57 N -0.86 3.30 -0.09 2.04 1.01 -1.22 -1.64 120.40 122.94 2qbk s VAL 57 Ca 0.14 -1.07 -0.14 0.00 0.00 0.00 0.00 61.98 60.90 2qbk s VAL 57 Cb -0.11 -2.78 -0.05 0.00 0.00 0.00 0.00 36.38 33.44 2qbk s VAL 57 CO 0.04 0.02 0.35 -0.63 0.00 0.00 0.00 175.10 174.87 2qbk s ILE 58 N 1.36 5.21 -0.21 2.22 1.01 0.11 -2.98 121.20 127.92 2qbk s ILE 58 Ca -0.01 0.68 0.01 0.00 0.00 0.00 0.00 60.65 61.33 2qbk s ILE 58 Cb -0.18 -3.66 0.04 0.00 0.01 0.00 0.00 42.46 38.67 2qbk s ILE 58 CO -0.01 0.47 -0.12 0.28 0.00 0.00 0.00 174.94 175.57 2qbk s THR 59 N -0.24 1.81 0.15 2.92 -1.32 -0.23 -0.05 115.64 118.67 2qbk s THR 59 Ca 0.20 -1.11 -0.08 0.00 -1.21 0.00 0.00 61.69 59.49 2qbk s THR 59 Cb -0.15 -1.84 -0.06 0.00 -1.51 0.00 0.00 72.50 68.94 2qbk s THR 59 CO 0.08 0.19 0.44 -0.69 -2.21 0.00 0.00 174.62 172.43 2qbk s VAL 60 N 1.32 5.07 0.54 5.08 1.01 -1.26 -2.41 120.40 129.76 2qbk s VAL 60 Ca -0.02 0.30 0.05 0.00 0.00 0.00 0.00 61.98 62.32 2qbk s VAL 60 Cb -0.16 -3.63 0.04 0.00 0.00 0.00 0.00 36.38 32.62 2qbk s VAL 60 CO -0.08 0.09 0.41 -0.31 0.00 0.00 0.00 175.10 175.20 2qbk s TYR 61 N -1.62 1.62 0.49 5.22 2.02 -0.75 -4.67 117.35 119.67 2qbk s TYR 61 Ca 0.40 -0.84 0.21 0.00 -0.37 0.00 0.00 57.07 56.47 2qbk s TYR 61 Cb -0.13 -1.92 1.35 0.00 -0.40 0.00 0.00 41.96 40.87 2qbk s TYR 61 CO 0.22 -0.48 2.11 0.00 -1.57 0.00 0.00 175.55 175.82 2qbk h ALA 62 N 0.75 1.65 0.00 3.71 0.00 -1.99 0.33 119.26 123.70 2qbk h ALA 62 Ca -0.37 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.47 2qbk h ALA 62 Cb 1.30 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.08 2qbk h ALA 62 CO 0.57 0.10 0.00 -3.47 0.00 0.00 0.00 179.25 176.45 2qbk n ASP 63 N -4.13 0.02 0.00 0.00 -0.08 -1.26 -4.79 116.55 106.30 2qbk n ASP 63 Ca -0.03 0.51 0.00 0.00 -1.51 0.00 0.00 54.79 53.76 2qbk n ASP 63 Cb 0.17 -0.51 0.00 0.00 2.34 0.00 0.00 41.12 43.12 2qbk n ASP 63 CO 0.00 0.00 0.00 0.54 0.12 0.00 0.00 177.20 177.86 2qbk n ARG 64 N -1.52 0.00 -1.34 -0.67 1.74 0.12 -4.98 116.66 110.01 2qbk n ARG 64 Ca 0.02 0.00 -0.29 0.00 -0.77 0.00 0.00 57.85 56.81 2qbk n ARG 64 Cb 0.12 -2.37 0.23 0.00 -1.02 0.00 0.00 32.46 29.42 2qbk n ARG 64 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 2qbk n SER 65 N 0.00 -1.27 -3.54 0.55 2.88 -1.26 -4.57 113.62 106.42 2qbk n SER 65 Ca 0.00 -1.28 -0.08 0.00 -1.33 0.00 0.00 58.87 56.18 2qbk n SER 65 Cb 0.00 -0.99 -0.02 0.00 -0.75 0.00 0.00 64.21 62.45 2qbk n SER 65 CO 0.00 0.00 0.00 0.72 -1.23 0.00 0.00 175.04 174.53 2qbk s PHE 66 N -3.29 -0.34 0.10 0.66 -0.71 -1.26 -1.81 117.98 111.33 2qbk s PHE 66 Ca 0.71 0.16 0.02 0.00 -1.04 0.00 0.00 56.93 56.78 2qbk s PHE 66 Cb -0.05 0.56 -0.04 0.00 -1.21 0.00 0.00 43.02 42.28 2qbk s PHE 66 CO 0.53 -0.65 -0.07 0.95 -1.34 0.00 0.00 175.22 174.64 2qbk s THR 67 N -3.26 0.72 -0.08 -4.49 -4.23 -1.01 -4.98 115.64 98.32 2qbk s THR 67 Ca 0.06 -1.85 -0.13 0.00 -1.18 0.00 0.00 61.69 58.59 2qbk s THR 67 Cb -0.01 -1.58 0.03 0.00 1.34 0.00 0.00 72.50 72.28 2qbk s THR 67 CO -0.08 -0.81 0.32 0.72 -0.54 0.00 0.00 174.62 174.24 2qbk s PHE 68 N -3.35 -0.28 -0.27 3.99 -0.71 -1.26 -1.06 117.98 115.04 2qbk s PHE 68 Ca 0.10 0.61 -0.05 0.00 -1.04 0.00 0.00 56.93 56.55 2qbk s PHE 68 Cb 0.03 0.11 0.01 0.00 -1.21 0.00 0.00 43.02 41.96 2qbk s PHE 68 CO -0.04 -0.27 0.03 0.14 -1.34 0.00 0.00 175.22 173.74 2qbk s VAL 69 N -0.49 3.63 -0.34 -2.49 -7.23 -1.16 -4.96 120.40 107.36 2qbk s VAL 69 Ca -0.06 -0.72 -0.25 0.00 -1.81 0.00 0.00 61.98 59.14 2qbk s VAL 69 Cb -0.04 -2.83 0.01 0.00 0.56 0.00 0.00 36.38 34.08 2qbk s VAL 69 CO 0.02 0.17 0.87 0.28 -0.31 0.00 0.00 175.10 176.13 2qbk s THR 70 N 1.46 4.68 0.00 5.32 -1.32 -1.26 -3.45 115.64 121.06 2qbk s THR 70 Ca 0.03 1.19 0.00 0.00 -1.21 0.00 0.00 61.69 61.70 2qbk s THR 70 Cb -0.17 -4.25 0.00 0.00 -1.51 0.00 0.00 72.50 66.57 2qbk s THR 70 CO 0.00 -0.41 0.00 0.29 -2.21 0.00 0.00 174.62 172.29 2qbk n LYS 71 N 6.52 3.74 -4.10 7.08 5.02 -1.23 -5.08 118.16 130.11 2qbk n LYS 71 Ca 0.06 0.00 -0.32 0.00 -2.02 0.00 0.00 58.31 56.03 2qbk n LYS 71 Cb 0.48 0.00 -0.07 0.00 -0.02 0.00 0.00 35.03 35.42 2qbk n LYS 71 CO 0.00 0.00 0.00 -0.08 -0.52 0.00 0.00 177.40 176.80 2qbk s THR 72 N 2.35 4.64 0.58 -0.18 -1.32 -1.26 -4.82 115.64 115.63 2qbk s THR 72 Ca 0.00 -0.52 -0.19 0.00 -1.21 0.00 0.00 61.69 59.77 2qbk s THR 72 Cb 0.00 -3.15 -0.05 0.00 -1.51 0.00 0.00 72.50 67.79 2qbk s THR 72 CO 0.00 0.29 0.97 -0.81 -2.21 0.00 0.00 174.62 172.86 2qbk n PRO 73 N 0.98 0.96 -1.47 7.08 -0.04 -1.26 -4.54 135.00 136.72 2qbk n PRO 73 Ca -0.12 0.37 -0.39 0.00 -0.04 0.00 0.00 63.50 63.32 2qbk n PRO 73 Cb 0.52 -2.16 0.03 0.00 -0.04 0.00 0.00 33.50 31.85 2qbk n PRO 73 CO 0.00 0.00 0.00 -2.30 -0.04 0.00 0.00 175.50 173.16 2qbk n PRO 74 N -0.88 0.56 -0.22 0.54 -0.02 -1.26 -4.75 135.00 128.96 2qbk n PRO 74 Ca 0.13 0.21 -0.05 0.00 -2.02 0.00 0.00 63.50 61.77 2qbk n PRO 74 Cb 0.46 -1.66 0.10 0.00 -0.02 0.00 0.00 33.50 32.39 2qbk n PRO 74 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2qbk h ALA 75 N 0.42 1.06 -0.30 3.55 0.00 -1.98 -1.33 119.26 120.68 2qbk h ALA 75 Ca -0.44 -0.22 0.03 0.00 0.00 0.00 0.00 54.91 54.28 2qbk h ALA 75 Cb 1.40 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 18.89 2qbk h ALA 75 CO 0.48 0.63 0.10 0.00 0.00 0.00 0.00 179.25 180.46 2qbk h ALA 76 N 1.20 0.35 -0.03 0.00 0.00 -1.92 0.63 119.26 119.48 2qbk h ALA 76 Ca 0.22 0.04 -0.00 0.00 0.00 0.00 0.00 54.91 55.16 2qbk h ALA 76 Cb 0.31 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.12 2qbk h ALA 76 CO -0.00 -0.30 0.01 0.28 0.00 0.00 0.00 179.25 179.24 2qbk h VAL 77 N 0.24 1.11 -0.87 0.00 2.07 -1.85 -1.87 116.25 115.08 2qbk h VAL 77 Ca 0.14 -0.32 0.11 0.00 0.82 0.00 0.00 66.70 67.44 2qbk h VAL 77 Cb 0.11 1.27 -0.06 0.00 -1.52 0.00 0.00 31.29 31.09 2qbk h VAL 77 CO -0.14 0.09 0.56 -0.07 0.02 0.00 0.00 177.57 178.03 2qbk h LEU 78 N -0.08 0.74 -0.72 2.57 3.38 -0.91 -0.42 115.31 119.88 2qbk h LEU 78 Ca 0.01 0.03 -0.12 0.00 0.09 0.00 0.00 57.88 57.88 2qbk h LEU 78 Cb 0.13 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 2qbk h LEU 78 CO -0.00 0.42 -0.33 -0.07 0.09 0.00 0.00 178.44 178.55 2qbk h LEU 79 N 0.81 0.63 -0.58 1.67 3.38 -0.57 -1.74 115.31 118.91 2qbk h LEU 79 Ca 0.41 -0.26 -0.01 0.00 0.09 0.00 0.00 57.88 58.11 2qbk h LEU 79 Cb 0.49 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 41.03 2qbk h LEU 79 CO -0.18 0.92 0.32 0.11 0.09 0.00 0.00 178.44 179.70 2qbk h LYS 80 N 0.51 0.81 0.32 1.13 1.57 -0.27 0.13 116.57 120.77 2qbk h LYS 80 Ca 0.06 -0.09 -0.02 0.00 -1.87 0.00 0.00 60.65 58.73 2qbk h LYS 80 Cb 0.83 -0.16 0.00 0.00 0.08 0.00 0.00 32.23 32.98 2qbk h LYS 80 CO 0.07 0.62 -0.15 0.87 -0.57 0.00 0.00 179.45 180.29 2qbk h LYS 81 N 0.78 -0.41 -0.68 3.15 1.57 -1.23 0.40 116.57 120.15 2qbk h LYS 81 Ca 0.20 0.03 0.11 0.00 -1.87 0.00 0.00 60.65 59.12 2qbk h LYS 81 Cb 0.05 0.09 -0.08 0.00 0.08 0.00 0.00 32.23 32.37 2qbk h LYS 81 CO -0.03 -0.13 0.27 0.00 -0.57 0.00 0.00 179.45 178.99 2qbk h ALA 82 N -0.06 0.92 0.00 3.86 0.00 -1.20 0.30 119.26 123.08 2qbk h ALA 82 Ca -0.04 0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.96 2qbk h ALA 82 Cb 0.46 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.30 2qbk h ALA 82 CO 0.07 -0.17 0.00 0.00 0.00 0.00 0.00 179.25 179.15 2qbk h ALA 83 N 1.47 1.00 -0.21 0.00 0.00 -0.64 -3.47 119.26 117.40 2qbk h ALA 83 Ca 0.35 0.00 -0.09 0.00 0.00 0.00 0.00 54.91 55.17 2qbk h ALA 83 Cb 0.46 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.22 2qbk h ALA 83 CO -0.34 0.00 -0.08 0.41 0.00 0.00 0.00 179.25 179.24 2qbk n GLY 84 N 0.57 0.73 4.00 0.00 0.00 0.11 -4.70 105.19 105.90 2qbk n GLY 84 Ca 0.03 -0.77 -0.18 0.00 0.00 0.00 0.00 46.02 45.10 2qbk n GLY 84 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2qbk s ILE 85 N -2.15 3.06 -0.21 -0.61 -4.36 0.48 -4.98 121.20 112.43 2qbk s ILE 85 Ca 0.00 -0.96 0.04 0.00 -0.26 0.00 0.00 60.65 59.46 2qbk s ILE 85 Cb 0.00 -3.03 -0.15 0.00 1.25 0.00 0.00 42.46 40.52 2qbk s ILE 85 CO 0.00 -0.01 -0.15 0.29 0.24 0.00 0.00 174.94 175.30 2qbk n LYS 86 N -1.88 0.65 -4.39 0.37 5.02 -1.26 -4.43 118.16 112.23 2qbk n LYS 86 Ca 0.07 0.11 -0.22 0.00 -2.02 0.00 0.00 58.31 56.25 2qbk n LYS 86 Cb 0.59 -1.43 -0.08 0.00 -0.02 0.00 0.00 35.03 34.08 2qbk n LYS 86 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 2qbk s SER 87 N -5.95 2.11 0.00 4.39 0.15 -1.26 -5.06 113.70 108.07 2qbk s SER 87 Ca -0.26 -1.69 0.00 0.00 0.70 0.00 0.00 55.95 54.70 2qbk s SER 87 Cb 0.07 0.51 0.00 0.00 -1.71 0.00 0.00 66.02 64.89 2qbk s SER 87 CO 0.53 -0.98 0.00 0.61 1.20 0.00 0.00 173.24 174.60 2qbk n GLY 88 N -0.74 -1.30 0.03 9.45 0.00 -1.26 -5.00 105.19 106.37 2qbk n GLY 88 Ca 0.01 -1.19 0.00 0.00 0.00 0.00 0.00 46.02 44.84 2qbk n GLY 88 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2qbk n SER 89 N 0.00 1.00 0.00 1.61 3.41 -1.16 -4.82 113.62 113.65 2qbk n SER 89 Ca 0.00 -1.00 0.00 0.00 -0.26 0.00 0.00 58.87 57.61 2qbk n SER 89 Cb 0.00 0.07 0.00 0.00 -0.26 0.00 0.00 64.21 64.02 2qbk n SER 89 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2qbk n GLY 90 N 0.11 1.35 2.60 5.00 0.00 -1.26 -4.44 105.19 108.54 2qbk n GLY 90 Ca 0.00 -0.02 -0.30 0.00 0.00 0.00 0.00 46.02 45.70 2qbk n GLY 90 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2qbk n LYS 91 N 0.00 2.74 -1.30 1.61 4.01 -1.26 -5.09 118.16 118.87 2qbk n LYS 91 Ca 0.00 -4.63 -0.38 0.00 -0.51 0.00 0.00 58.31 52.79 2qbk n LYS 91 Cb 0.00 -2.31 0.03 0.00 -0.51 0.00 0.00 35.03 32.24 2qbk n LYS 91 CO 0.00 0.00 0.00 -2.30 -1.11 0.00 0.00 177.40 173.99 2qbk n PRO 92 N 1.12 0.21 0.00 1.97 -0.02 -1.26 -2.05 135.00 134.96 2qbk n PRO 92 Ca 0.28 0.09 0.00 0.00 -2.02 0.00 0.00 63.50 61.84 2qbk n PRO 92 Cb 0.39 -1.35 0.00 0.00 -0.02 0.00 0.00 33.50 32.52 2qbk n PRO 92 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 2qbk n ASN 93 N 1.51 0.00 -0.04 2.55 5.03 -1.26 -4.58 115.26 118.48 2qbk n ASN 93 Ca 0.09 0.00 -0.14 0.00 0.87 0.00 0.00 54.58 55.40 2qbk n ASN 93 Cb 0.48 0.00 -0.11 0.00 -1.02 0.00 0.00 39.78 39.13 2qbk n ASN 93 CO 0.00 0.00 0.00 0.50 -1.83 0.00 0.00 177.26 175.93 2qbk h LYS 94 N 0.00 0.07 -4.22 3.52 3.64 -1.82 -3.44 116.57 114.33 2qbk h LYS 94 Ca 0.00 -0.07 -0.52 0.00 -1.27 0.00 0.00 60.65 58.80 2qbk h LYS 94 Cb 0.00 0.02 -0.37 0.00 -0.41 0.00 0.00 32.23 31.47 2qbk h LYS 94 CO 0.00 0.78 -0.80 0.34 -2.27 0.00 0.00 179.45 177.50 2qbk s ASP 95 N -6.05 2.07 -0.08 4.20 2.15 -1.09 -5.12 116.67 112.75 2qbk s ASP 95 Ca -0.17 -0.28 -0.22 0.00 0.43 0.00 0.00 52.55 52.31 2qbk s ASP 95 Cb 0.00 -0.81 -0.04 0.00 -0.30 0.00 0.00 42.92 41.78 2qbk s ASP 95 CO 0.70 -0.11 0.66 -1.59 -0.17 0.00 0.00 175.17 174.66 2qbk s LYS 96 N 1.61 4.42 0.02 4.34 -2.85 -1.26 -4.64 119.74 121.38 2qbk s LYS 96 Ca 0.03 0.80 0.22 0.00 -1.00 0.00 0.00 55.97 56.01 2qbk s LYS 96 Cb -0.13 -3.45 -0.25 0.00 -2.06 0.00 0.00 37.83 31.95 2qbk s LYS 96 CO -0.07 0.08 0.64 1.33 0.10 0.00 0.00 175.35 177.43 2qbk n VAL 97 N 3.76 0.14 -3.83 1.79 0.24 -1.03 -5.03 118.33 114.38 2qbk n VAL 97 Ca -0.02 -0.48 -0.09 0.00 -2.04 0.00 0.00 64.34 61.71 2qbk n VAL 97 Cb 0.51 -0.03 0.01 0.00 -1.47 0.00 0.00 33.84 32.87 2qbk n VAL 97 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 2qbk s GLY 98 N -4.40 0.30 0.03 7.63 0.00 -1.26 -4.99 107.32 104.64 2qbk s GLY 98 Ca -0.05 -0.68 -0.01 0.00 0.00 0.00 0.00 44.72 43.98 2qbk s GLY 98 CO 0.88 -0.29 -0.01 -1.59 0.00 0.00 0.00 173.10 172.10 2qbk s LYS 99 N -2.71 0.47 -0.04 2.90 0.00 -1.26 -1.82 119.74 117.28 2qbk s LYS 99 Ca 0.15 -0.86 -0.02 0.00 0.00 0.00 0.00 55.97 55.25 2qbk s LYS 99 Cb -0.05 0.17 0.02 0.00 0.00 0.00 0.00 37.83 37.97 2qbk s LYS 99 CO 0.11 -0.09 0.08 0.42 0.00 0.00 0.00 175.35 175.87 2qbk s ILE 100 N -2.56 -0.03 0.51 3.79 1.01 0.11 -4.44 121.20 119.59 2qbk s ILE 100 Ca -0.06 0.13 -0.21 0.00 0.00 0.00 0.00 60.65 60.51 2qbk s ILE 100 Cb -0.02 -0.14 -0.07 0.00 0.01 0.00 0.00 42.46 42.25 2qbk s ILE 100 CO -0.05 0.05 1.12 -0.94 0.00 0.00 0.00 174.94 175.13 2qbk s SER 101 N 0.72 5.95 0.58 3.58 1.04 -1.26 -2.29 113.70 122.02 2qbk s SER 101 Ca -0.06 2.17 0.28 0.00 0.48 0.00 0.00 55.95 58.82 2qbk s SER 101 Cb -0.08 -2.58 1.59 0.00 0.10 0.00 0.00 66.02 65.05 2qbk s SER 101 CO -0.03 -1.06 2.06 0.03 0.98 0.00 0.00 173.24 175.22 2qbk h ARG 102 N 1.50 0.00 -0.26 4.02 2.47 -1.73 -0.66 114.38 119.72 2qbk h ARG 102 Ca -0.50 0.00 -0.08 0.00 -1.26 0.00 0.00 59.98 58.14 2qbk h ARG 102 Cb 1.25 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 29.56 2qbk h ARG 102 CO 0.58 0.00 -0.15 0.00 0.56 0.00 0.00 179.97 180.96 2qbk h ALA 103 N 1.72 0.37 -0.40 0.04 0.00 -1.89 -2.95 119.26 116.16 2qbk h ALA 103 Ca 0.12 -0.33 0.01 0.00 0.00 0.00 0.00 54.91 54.71 2qbk h ALA 103 Cb 0.63 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.31 2qbk h ALA 103 CO -0.00 0.26 0.26 1.96 0.00 0.00 0.00 179.25 181.73 2qbk h GLN 104 N 0.29 0.51 -0.94 0.00 4.20 -1.49 -2.19 115.11 115.49 2qbk h GLN 104 Ca 0.06 -0.03 0.11 0.00 0.06 0.00 0.00 58.65 58.84 2qbk h GLN 104 Cb 0.67 -0.11 -0.07 0.00 0.30 0.00 0.00 27.48 28.26 2qbk h GLN 104 CO 0.04 0.34 0.60 -0.07 -0.67 0.00 0.00 178.83 179.07 2qbk h LEU 105 N 0.52 0.84 -0.98 1.46 3.38 -1.49 0.24 115.31 119.29 2qbk h LEU 105 Ca 0.15 0.03 -0.07 0.00 0.09 0.00 0.00 57.88 58.08 2qbk h LEU 105 Cb -0.04 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.55 2qbk h LEU 105 CO -0.04 0.47 -0.00 1.56 0.09 0.00 0.00 178.44 180.52 2qbk h GLN 106 N 0.92 0.73 -0.36 1.13 4.20 -1.24 0.45 115.11 120.94 2qbk h GLN 106 Ca 0.45 -0.19 -0.12 0.00 0.06 0.00 0.00 58.65 58.85 2qbk h GLN 106 Cb 0.46 -0.09 -0.01 0.00 0.30 0.00 0.00 27.48 28.14 2qbk h GLN 106 CO -0.21 0.75 -0.23 0.93 -0.67 0.00 0.00 178.83 179.40 2qbk h GLU 107 N 0.69 0.79 -0.24 1.46 5.08 -0.17 -0.15 114.58 122.04 2qbk h GLU 107 Ca 0.14 -0.37 -0.13 0.00 -1.00 0.00 0.00 59.36 58.00 2qbk h GLU 107 Cb 0.43 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.66 2qbk h GLU 107 CO 0.02 0.99 -0.41 0.82 -1.00 0.00 0.00 179.01 179.44 2qbk h ILE 108 N 0.58 1.30 -0.01 3.13 2.04 -0.30 -1.43 117.51 122.82 2qbk h ILE 108 Ca 0.07 -1.57 -0.08 0.00 1.00 0.00 0.00 64.86 64.28 2qbk h ILE 108 Cb 0.79 1.56 -0.01 0.00 -0.74 0.00 0.00 36.82 38.41 2qbk h ILE 108 CO 0.06 0.50 -0.39 0.00 0.00 0.00 0.00 178.15 178.32 2qbk h ALA 109 N 1.09 1.34 -0.01 1.87 0.00 0.07 0.14 119.26 123.76 2qbk h ALA 109 Ca 0.04 -0.36 -0.17 0.00 0.00 0.00 0.00 54.91 54.43 2qbk h ALA 109 Cb 0.91 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.61 2qbk h ALA 109 CO 0.08 0.49 -0.76 0.37 0.00 0.00 0.00 179.25 179.44 2qbk h GLN 110 N 0.03 0.10 -0.01 0.00 5.75 -0.55 0.56 115.11 120.98 2qbk h GLN 110 Ca -0.00 -0.09 -0.18 0.00 -0.15 0.00 0.00 58.65 58.23 2qbk h GLN 110 Cb 0.69 0.02 0.01 0.00 1.07 0.00 0.00 27.48 29.28 2qbk h GLN 110 CO 0.05 0.81 -0.68 1.15 -2.65 0.00 0.00 178.83 177.50 2qbk h THR 111 N 0.06 1.39 0.00 2.39 2.02 -0.65 -3.20 112.91 114.92 2qbk h THR 111 Ca -0.02 -2.09 0.00 0.00 0.77 0.00 0.00 66.41 65.07 2qbk h THR 111 Cb 1.33 2.51 0.00 0.00 -1.74 0.00 0.00 68.15 70.26 2qbk h THR 111 CO 0.11 0.62 0.00 0.29 0.37 0.00 0.00 175.52 176.90 2qbk n LYS 112 N -4.14 0.21 -0.31 6.66 4.76 -0.02 -4.14 118.16 121.18 2qbk n LYS 112 Ca -0.10 0.18 0.13 0.00 -2.87 0.00 0.00 58.31 55.65 2qbk n LYS 112 Cb 0.71 -1.75 0.26 0.00 -1.84 0.00 0.00 35.03 32.41 2qbk n LYS 112 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2qbk n ALA 113 N -1.73 0.45 -0.37 7.82 0.00 0.18 0.07 120.51 126.93 2qbk n ALA 113 Ca 0.06 0.95 0.05 0.00 0.00 0.00 0.00 53.44 54.49 2qbk n ALA 113 Cb 0.41 -0.69 0.20 0.00 0.00 0.00 0.00 19.45 19.37 2qbk n ALA 113 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2qbk h ALA 114 N 1.77 1.45 -0.00 0.00 0.00 -1.80 -2.49 119.26 118.19 2qbk h ALA 114 Ca 0.54 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.44 2qbk h ALA 114 Cb 1.11 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.63 2qbk h ALA 114 CO -0.83 0.35 -0.69 -0.25 0.00 0.00 0.00 179.25 177.83 2qbk n ASP 115 N -4.55 0.92 -4.88 0.00 8.00 0.11 -4.94 116.55 111.22 2qbk n ASP 115 Ca 0.17 -0.77 -0.32 0.00 0.71 0.00 0.00 54.79 54.58 2qbk n ASP 115 Cb 0.26 0.58 -0.05 0.00 -0.02 0.00 0.00 41.12 41.89 2qbk n ASP 115 CO 0.00 0.00 0.00 -0.04 -0.39 0.00 0.00 177.20 176.77 2qbk s MET 116 N -2.90 3.73 0.05 -1.24 -1.94 -0.20 -4.99 119.30 111.81 2qbk s MET 116 Ca 0.12 0.12 0.26 0.00 -1.71 0.00 0.00 55.69 54.48 2qbk s MET 116 Cb 0.17 -2.79 0.70 0.00 2.01 0.00 0.00 34.83 34.92 2qbk s MET 116 CO 0.74 0.42 1.57 -2.37 -0.01 0.00 0.00 175.02 175.37 2qbk n THR 117 N 0.13 0.14 -1.36 2.05 5.66 -1.26 -4.88 114.28 114.75 2qbk n THR 117 Ca -0.02 -0.09 -0.53 0.00 -3.05 0.00 0.00 64.05 60.36 2qbk n THR 117 Cb 0.52 -0.12 -0.07 0.00 -1.55 0.00 0.00 70.33 69.11 2qbk n THR 117 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2qbk n GLY 118 N 1.45 -0.09 0.18 1.09 0.00 -1.26 -4.86 105.19 101.69 2qbk n GLY 118 Ca 0.05 0.73 -0.16 0.00 0.00 0.00 0.00 46.02 46.64 2qbk n GLY 118 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qbk h ALA 119 N 3.18 0.22 -1.96 4.61 0.00 -1.95 -3.46 119.26 119.91 2qbk h ALA 119 Ca -0.41 -0.52 -0.52 0.00 0.00 0.00 0.00 54.91 53.45 2qbk h ALA 119 Cb 1.20 -0.01 -0.14 0.00 0.00 0.00 0.00 17.79 18.85 2qbk h ALA 119 CO 0.66 0.43 -0.63 0.16 0.00 0.00 0.00 179.25 179.87 2qbk s ASP 120 N -6.75 2.91 0.34 0.00 1.47 -1.26 -5.05 116.67 108.34 2qbk s ASP 120 Ca -0.12 -1.31 0.03 0.00 1.18 0.00 0.00 52.55 52.33 2qbk s ASP 120 Cb 0.06 -0.20 0.64 0.00 -0.34 0.00 0.00 42.92 43.08 2qbk s ASP 120 CO 0.84 -0.47 1.97 0.16 0.68 0.00 0.00 175.17 178.35 2qbk h ILE 121 N 2.08 1.10 -0.25 2.11 -2.65 -2.00 -2.32 117.51 115.59 2qbk h ILE 121 Ca -0.41 -0.30 0.03 0.00 1.03 0.00 0.00 64.86 65.21 2qbk h ILE 121 Cb 1.24 0.15 -0.03 0.00 -2.05 0.00 0.00 36.82 36.13 2qbk h ILE 121 CO 0.72 0.16 0.05 -0.33 0.03 0.00 0.00 178.15 178.78 2qbk h GLU 122 N 0.87 0.14 0.03 0.16 3.07 -1.99 0.12 114.58 117.00 2qbk h GLU 122 Ca 0.29 -0.01 0.01 0.00 -0.50 0.00 0.00 59.36 59.15 2qbk h GLU 122 Cb 0.07 -0.03 -0.02 0.00 -0.84 0.00 0.00 28.75 27.93 2qbk h GLU 122 CO -0.08 0.10 -0.09 0.00 -1.40 0.00 0.00 179.01 177.53 2qbk h ALA 123 N 1.18 -0.13 -0.68 3.43 0.00 -1.83 -0.97 119.26 120.26 2qbk h ALA 123 Ca 0.11 -0.00 0.01 0.00 0.00 0.00 0.00 54.91 55.03 2qbk h ALA 123 Cb 0.11 0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.02 2qbk h ALA 123 CO -0.15 -0.60 0.45 0.52 0.00 0.00 0.00 179.25 179.47 2qbk h MET 124 N -0.18 0.88 -0.67 0.00 2.86 -1.19 -0.30 114.93 116.33 2qbk h MET 124 Ca 0.02 -0.05 0.01 0.00 -2.06 0.00 0.00 59.70 57.62 2qbk h MET 124 Cb 0.20 -0.20 -0.03 0.00 0.06 0.00 0.00 31.60 31.63 2qbk h MET 124 CO -0.07 0.58 0.44 1.15 1.06 0.00 0.00 176.91 180.07 2qbk h THR 125 N 0.91 1.17 -0.36 2.22 2.02 -0.47 -2.55 112.91 115.86 2qbk h THR 125 Ca 0.25 -0.32 -0.14 0.00 0.77 0.00 0.00 66.41 66.97 2qbk h THR 125 Cb -0.09 0.20 -0.01 0.00 -1.74 0.00 0.00 68.15 66.50 2qbk h THR 125 CO -0.06 0.17 -0.33 -0.09 0.37 0.00 0.00 175.52 175.57 2qbk h ARG 126 N 0.91 0.81 -0.97 6.66 2.43 -0.80 -1.88 114.38 121.54 2qbk h ARG 126 Ca 0.24 -0.39 0.16 0.00 -0.81 0.00 0.00 59.98 59.19 2qbk h ARG 126 Cb -0.10 -0.00 -0.09 0.00 -0.42 0.00 0.00 29.97 29.36 2qbk h ARG 126 CO -0.05 1.02 0.61 0.77 -1.51 0.00 0.00 179.97 180.81 2qbk h SER 127 N 0.68 0.74 0.78 -3.80 0.02 -0.65 0.85 113.55 112.16 2qbk h SER 127 Ca 0.07 0.06 -0.25 0.00 -0.84 0.00 0.00 61.79 60.83 2qbk h SER 127 Cb 0.88 -0.08 -0.01 0.00 0.14 0.00 0.00 62.40 63.34 2qbk h SER 127 CO 0.08 0.33 -1.15 0.40 -1.14 0.00 0.00 176.83 175.35 2qbk h ILE 128 N 0.76 1.58 -0.56 3.27 2.04 -1.30 -3.20 117.51 120.11 2qbk h ILE 128 Ca 0.51 -3.21 0.03 0.00 1.00 0.00 0.00 64.86 63.19 2qbk h ILE 128 Cb 0.80 2.91 -0.03 0.00 -0.74 0.00 0.00 36.82 39.76 2qbk h ILE 128 CO -0.28 0.93 0.37 -0.33 0.00 0.00 0.00 178.15 178.83 2qbk h GLU 129 N 0.05 0.66 0.00 2.37 5.08 -0.07 0.20 114.58 122.86 2qbk h GLU 129 Ca -0.09 -0.04 -0.07 0.00 -1.00 0.00 0.00 59.36 58.17 2qbk h GLU 129 Cb 1.89 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 30.99 2qbk h GLU 129 CO 0.18 0.43 -0.31 0.78 -1.00 0.00 0.00 179.01 179.09 2qbk h GLY 130 N 0.68 0.00 1.56 -3.84 0.00 -1.07 -0.42 103.07 99.97 2qbk h GLY 130 Ca 0.22 0.00 -0.25 0.00 0.00 0.00 0.00 47.33 47.30 2qbk h GLY 130 CO -0.06 0.00 -1.10 -0.91 0.00 0.00 0.00 176.54 174.48 2qbk h THR 131 N 0.00 1.43 -0.20 4.70 1.35 -0.75 -3.03 112.91 116.42 2qbk h THR 131 Ca -0.00 -2.71 -0.04 0.00 -0.55 0.00 0.00 66.41 63.11 2qbk h THR 131 Cb 0.62 2.67 -0.01 0.00 -1.73 0.00 0.00 68.15 69.71 2qbk h THR 131 CO 0.04 0.80 -0.02 0.00 -0.25 0.00 0.00 175.52 176.09 2qbk h ALA 132 N 0.63 0.27 0.00 6.62 0.00 -0.35 -2.02 119.26 124.42 2qbk h ALA 132 Ca -0.11 -0.22 -0.00 0.00 0.00 0.00 0.00 54.91 54.57 2qbk h ALA 132 Cb 1.78 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 19.49 2qbk h ALA 132 CO 0.19 0.01 -0.01 0.00 0.00 0.00 0.00 179.25 179.43 2qbk h ARG 133 N 0.10 0.00 0.00 0.00 3.08 -1.16 0.13 114.38 116.53 2qbk h ARG 133 Ca 0.05 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.10 2qbk h ARG 133 Cb 0.43 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.48 2qbk h ARG 133 CO 0.01 0.01 -0.59 0.43 -1.07 0.00 0.00 179.97 178.76 2qbk n SER 134 N -3.18 0.71 -0.56 7.04 7.64 -0.94 -3.59 113.62 120.74 2qbk n SER 134 Ca -0.02 0.15 0.11 0.00 1.01 0.00 0.00 58.87 60.12 2qbk n SER 134 Cb 0.13 0.11 0.01 0.00 -1.01 0.00 0.00 64.21 63.45 2qbk n SER 134 CO 0.00 0.00 0.00 0.23 -3.01 0.00 0.00 175.04 172.26 2qbk n MET 135 N -2.12 1.37 -1.56 1.43 2.81 0.33 -4.70 117.12 114.67 2qbk n MET 135 Ca 0.03 -1.12 -0.02 0.00 -1.81 0.00 0.00 57.70 54.79 2qbk n MET 135 Cb 0.44 -1.47 -0.00 0.00 -0.71 0.00 0.00 33.22 31.47 2qbk n MET 135 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2qbk n GLY 136 N 1.41 0.40 3.39 3.03 0.00 -0.67 -3.00 105.19 109.74 2qbk n GLY 136 Ca 0.10 -0.92 -0.39 0.00 0.00 0.00 0.00 46.02 44.81 2qbk n GLY 136 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2qbk s LEU 137 N -0.41 4.41 0.62 0.99 1.43 -0.38 -2.45 118.68 122.88 2qbk s LEU 137 Ca 0.00 -0.83 -0.14 0.00 -1.03 0.00 0.00 54.13 52.14 2qbk s LEU 137 Cb 0.00 -1.99 -0.03 0.00 0.03 0.00 0.00 46.19 44.20 2qbk s LEU 137 CO 0.00 -0.30 1.04 -0.69 0.23 0.00 0.00 176.35 176.63 2qbk s VAL 138 N 1.56 4.14 -0.15 -1.59 1.01 -0.75 -4.07 120.40 120.54 2qbk s VAL 138 Ca 0.03 0.86 -0.00 0.00 0.00 0.00 0.00 61.98 62.86 2qbk s VAL 138 Cb -0.18 -3.52 0.04 0.00 0.00 0.00 0.00 36.38 32.71 2qbk s VAL 138 CO 0.06 -0.75 -0.06 -0.69 0.00 0.00 0.00 175.10 173.66 2qbk s VAL 139 N -2.79 1.09 -0.25 2.92 1.01 -1.26 0.04 120.40 121.17 2qbk s VAL 139 Ca 0.60 -0.54 -0.09 0.00 0.00 0.00 0.00 61.98 61.94 2qbk s VAL 139 Cb -0.13 -1.22 -0.04 0.00 0.00 0.00 0.00 36.38 34.98 2qbk s VAL 139 CO 0.44 0.20 0.13 -1.83 0.00 0.00 0.00 175.10 174.04 2qbk s GLU 140 N 1.65 3.90 0.00 2.72 1.03 -0.97 -4.86 118.70 122.17 2qbk s GLU 140 Ca 0.02 -0.36 0.28 0.00 0.03 0.00 0.00 54.97 54.94 2qbk s GLU 140 Cb -0.14 -3.48 1.67 0.00 -0.80 0.00 0.00 34.13 31.37 2qbk s GLU 140 CO -0.08 -0.07 2.01 -3.47 -1.33 0.00 0.00 175.26 172.32