#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qbk n ARG 2 N 0.00 -1.40 -1.67 3.17 0.63 -1.26 -4.89 116.66 111.24 2qbk n ARG 2 Ca 0.00 0.79 -0.58 0.00 -0.92 0.00 0.00 57.85 57.15 2qbk n ARG 2 Cb 0.00 -5.03 -0.08 0.00 0.45 0.00 0.00 32.46 27.81 2qbk n ARG 2 CO 0.00 0.00 0.00 0.72 -2.51 0.00 0.00 177.63 175.84 2qbk n HIS 3 N -2.35 1.96 -1.50 -0.14 8.25 -1.26 -0.81 115.22 119.37 2qbk n HIS 3 Ca -0.09 0.56 -0.12 0.00 -0.26 0.00 0.00 57.72 57.80 2qbk n HIS 3 Cb 0.50 -2.45 -0.05 0.00 1.12 0.00 0.00 29.99 29.12 2qbk n HIS 3 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 2qbk n ARG 4 N 5.69 -0.89 -3.16 -0.41 5.12 -1.26 -4.98 116.66 116.77 2qbk n ARG 4 Ca 0.30 0.89 -0.45 0.00 -1.93 0.00 0.00 57.85 56.66 2qbk n ARG 4 Cb 0.12 -4.94 -0.05 0.00 -1.16 0.00 0.00 32.46 26.43 2qbk n ARG 4 CO 0.00 0.00 0.00 0.15 -1.93 0.00 0.00 177.63 175.85 2qbk s LYS 5 N -3.30 3.06 0.94 5.56 1.02 0.01 -5.05 119.74 121.97 2qbk s LYS 5 Ca 0.00 -1.24 -0.12 0.00 0.02 0.00 0.00 55.97 54.63 2qbk s LYS 5 Cb 0.00 -4.22 0.15 0.00 -0.52 0.00 0.00 37.83 33.25 2qbk s LYS 5 CO 0.00 -1.40 1.11 0.45 -0.92 0.00 0.00 175.35 174.59 2qbk s SER 6 N 3.30 3.20 0.00 2.83 0.15 -1.26 -4.93 113.70 116.99 2qbk s SER 6 Ca 0.11 1.14 0.00 0.00 0.70 0.00 0.00 55.95 57.90 2qbk s SER 6 Cb -0.23 -1.78 0.00 0.00 -1.71 0.00 0.00 66.02 62.29 2qbk s SER 6 CO 0.07 -2.77 0.00 0.61 1.20 0.00 0.00 173.24 172.36 2qbk n GLY 7 N -1.60 -0.84 3.87 9.45 0.00 -1.26 -5.05 105.19 109.77 2qbk n GLY 7 Ca 0.06 -1.12 -0.35 0.00 0.00 0.00 0.00 46.02 44.62 2qbk n GLY 7 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2qbk s ARG 8 N -3.94 3.69 0.00 1.61 3.52 -1.26 -5.00 118.95 117.57 2qbk s ARG 8 Ca 0.00 0.07 0.16 0.00 -0.13 0.00 0.00 55.73 55.83 2qbk s ARG 8 Cb 0.00 -3.03 0.01 0.00 -1.56 0.00 0.00 34.95 30.38 2qbk s ARG 8 CO 0.00 0.59 0.87 0.00 -0.81 0.00 0.00 175.30 175.95 2qbk n GLN 9 N 0.96 1.64 0.00 5.12 10.64 -1.26 -5.00 117.38 129.48 2qbk n GLN 9 Ca -0.09 -0.89 0.00 0.00 -1.83 0.00 0.00 57.00 54.19 2qbk n GLN 9 Cb 0.52 -1.27 0.00 0.00 -0.86 0.00 0.00 30.24 28.63 2qbk n GLN 9 CO 0.00 0.00 0.00 1.28 -1.83 0.00 0.00 177.06 176.51 2qbk n LEU 10 N 0.01 0.00 0.00 2.61 7.99 -1.26 -3.37 117.00 122.99 2qbk n LEU 10 Ca 0.07 0.00 0.00 0.00 -0.01 0.00 0.00 56.01 56.07 2qbk n LEU 10 Cb 0.34 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.65 2qbk n LEU 10 CO 0.19 0.00 0.00 0.59 -1.51 0.00 0.00 177.39 176.66 2qbk n ASN 11 N 1.28 0.00 0.00 -1.43 5.03 -1.26 -5.18 115.26 113.70 2qbk n ASN 11 Ca 0.00 0.00 0.00 0.00 0.87 0.00 0.00 54.58 55.45 2qbk n ASN 11 Cb 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 39.78 38.76 2qbk n ASN 11 CO 0.00 0.00 0.00 -1.14 -1.83 0.00 0.00 177.26 174.29 2qbk n ARG 12 N 0.00 -2.40 -1.25 3.52 3.00 -1.22 -5.08 116.66 113.23 2qbk n ARG 12 Ca 0.00 0.00 -0.31 0.00 -0.00 0.00 0.00 57.85 57.54 2qbk n ARG 12 Cb 0.00 0.00 0.10 0.00 0.00 0.00 0.00 32.46 32.56 2qbk n ARG 12 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.63 178.17 2qbk s ASN 13 N 0.00 4.34 0.00 6.15 2.20 -1.26 -4.86 114.94 121.51 2qbk s ASN 13 Ca 0.00 1.92 0.00 0.00 -0.94 0.00 0.00 52.86 53.84 2qbk s ASN 13 Cb 0.00 -2.53 0.00 0.00 -2.00 0.00 0.00 41.25 36.72 2qbk s ASN 13 CO 0.00 -2.15 0.40 -0.24 -2.94 0.00 0.00 177.10 172.17 2qbk n SER 14 N -3.44 0.34 -0.07 3.54 2.88 -1.26 -0.94 113.62 114.67 2qbk n SER 14 Ca 0.10 -1.13 0.04 0.00 -1.33 0.00 0.00 58.87 56.55 2qbk n SER 14 Cb 0.53 -0.17 -0.03 0.00 -0.75 0.00 0.00 64.21 63.79 2qbk n SER 14 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 2qbk n SER 15 N -0.07 0.64 0.00 -3.46 2.88 -1.26 -4.25 113.62 108.10 2qbk n SER 15 Ca 0.00 -0.82 0.00 0.00 -1.33 0.00 0.00 58.87 56.72 2qbk n SER 15 Cb 0.08 0.81 0.00 0.00 -0.75 0.00 0.00 64.21 64.35 2qbk n SER 15 CO 0.00 0.00 0.00 1.57 -1.23 0.00 0.00 175.04 175.38 2qbk n HIS 16 N -0.86 0.00 -0.37 0.66 -0.00 -0.11 -4.46 115.22 110.07 2qbk n HIS 16 Ca 0.02 0.00 0.30 0.00 0.46 0.00 0.00 57.72 58.50 2qbk n HIS 16 Cb 0.14 -0.03 0.56 0.00 -0.12 0.00 0.00 29.99 30.54 2qbk n HIS 16 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 2qbk h ARG 17 N 0.00 0.18 -2.04 1.57 3.08 -1.85 0.55 114.38 115.87 2qbk h ARG 17 Ca 0.00 -0.01 -0.17 0.00 0.07 0.00 0.00 59.98 59.87 2qbk h ARG 17 Cb 0.00 -0.04 -0.06 0.00 0.08 0.00 0.00 29.97 29.95 2qbk h ARG 17 CO 0.00 0.12 -0.32 0.94 -1.07 0.00 0.00 179.97 179.64 2qbk n GLN 18 N -4.94 1.83 0.00 0.04 0.00 -1.26 -2.87 117.38 110.18 2qbk n GLN 18 Ca 0.34 -0.88 0.00 0.00 -0.00 0.00 0.00 57.00 56.47 2qbk n GLN 18 Cb 1.19 -1.90 0.00 0.00 0.00 0.00 0.00 30.24 29.53 2qbk n GLN 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 2qbk n ALA 19 N 2.44 0.00 0.34 1.69 0.00 0.15 -4.88 120.51 120.25 2qbk n ALA 19 Ca 0.38 0.00 0.20 0.00 0.00 0.00 0.00 53.44 54.02 2qbk n ALA 19 Cb 0.84 0.00 1.08 0.00 0.00 0.00 0.00 19.45 21.38 2qbk n ALA 19 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2qbk h MET 20 N 0.00 0.00 0.00 0.00 -0.00 -0.48 1.09 114.93 115.54 2qbk h MET 20 Ca 0.00 0.00 -0.22 0.00 -0.00 0.00 0.00 59.70 59.48 2qbk h MET 20 Cb 0.00 0.00 -0.04 0.00 -0.00 0.00 0.00 31.60 31.56 2qbk h MET 20 CO 0.00 0.00 -1.45 0.74 -0.00 0.00 0.00 176.91 176.20 2qbk h PHE 21 N 0.00 0.00 -0.07 -0.10 0.05 -1.74 -3.19 116.94 111.90 2qbk h PHE 21 Ca 0.00 0.00 -0.05 0.00 3.82 0.00 0.00 57.97 61.74 2qbk h PHE 21 Cb 0.24 0.00 0.00 0.00 2.00 0.00 0.00 35.95 38.19 2qbk h PHE 21 CO 0.00 0.78 -0.16 -0.09 -0.18 0.00 0.00 178.31 178.66 2qbk h ARG 22 N 0.00 0.23 0.00 1.51 2.43 0.82 1.36 114.38 120.73 2qbk h ARG 22 Ca -0.19 -0.15 0.00 0.00 -0.81 0.00 0.00 59.98 58.82 2qbk h ARG 22 Cb 1.76 0.02 0.00 0.00 -0.42 0.00 0.00 29.97 31.33 2qbk h ARG 22 CO 0.07 0.75 0.00 -0.91 -1.51 0.00 0.00 179.97 178.37 2qbk h ASN 23 N -0.26 0.00 0.00 -3.80 2.35 -0.73 -1.94 115.58 111.20 2qbk h ASN 23 Ca 0.00 0.00 -0.37 0.00 -0.55 0.00 0.00 56.30 55.38 2qbk h ASN 23 Cb 0.75 0.00 -0.05 0.00 0.05 0.00 0.00 38.32 39.06 2qbk h ASN 23 CO 0.03 0.00 -2.05 0.80 -1.65 0.00 0.00 177.43 174.57 2qbk n MET 24 N -2.35 0.59 0.16 0.81 0.00 -1.04 -3.64 117.12 111.65 2qbk n MET 24 Ca 0.01 0.38 -0.16 0.00 -0.00 0.00 0.00 57.70 57.93 2qbk n MET 24 Cb 0.17 -1.60 -0.09 0.00 0.00 0.00 0.00 33.22 31.71 2qbk n MET 24 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 2qbk h ALA 25 N -0.74 -1.02 -0.55 -5.12 0.00 0.20 0.51 119.26 112.53 2qbk h ALA 25 Ca -0.56 -0.13 0.16 0.00 0.00 0.00 0.00 54.91 54.38 2qbk h ALA 25 Cb 1.52 0.81 -0.02 0.00 0.00 0.00 0.00 17.79 20.10 2qbk h ALA 25 CO -0.32 -1.11 0.44 0.78 0.00 0.00 0.00 179.25 179.04 2qbk h GLY 26 N -0.78 0.00 0.72 0.00 0.00 -1.58 0.99 103.07 102.43 2qbk h GLY 26 Ca -0.02 0.00 -0.07 0.00 0.00 0.00 0.00 47.33 47.24 2qbk h GLY 26 CO -0.20 0.00 -0.19 0.23 0.00 0.00 0.00 176.54 176.38 2qbk h SER 27 N 0.00 0.38 -0.61 0.19 0.87 -0.82 -2.57 113.55 110.99 2qbk h SER 27 Ca 0.26 -0.53 0.07 0.00 -1.23 0.00 0.00 61.79 60.36 2qbk h SER 27 Cb 1.14 -0.11 -0.04 0.00 -0.44 0.00 0.00 62.40 62.95 2qbk h SER 27 CO -0.00 0.84 0.40 0.25 -0.53 0.00 0.00 176.83 177.79 2qbk h LEU 28 N -0.06 0.48 -1.25 2.23 7.12 0.24 0.25 115.31 124.31 2qbk h LEU 28 Ca 0.01 0.00 -0.08 0.00 0.13 0.00 0.00 57.88 57.95 2qbk h LEU 28 Cb 0.76 -0.10 -0.01 0.00 -0.53 0.00 0.00 40.66 40.78 2qbk h LEU 28 CO 0.04 0.31 -0.33 0.58 -0.13 0.00 0.00 178.44 178.92 2qbk h VAL 29 N 0.55 1.25 0.44 1.05 2.07 -1.11 0.59 116.25 121.09 2qbk h VAL 29 Ca 0.27 -1.20 -0.02 0.00 0.82 0.00 0.00 66.70 66.57 2qbk h VAL 29 Cb 0.35 1.59 0.00 0.00 -1.52 0.00 0.00 31.29 31.71 2qbk h VAL 29 CO -0.08 0.35 -0.21 0.03 0.02 0.00 0.00 177.57 177.68 2qbk h ARG 30 N 0.07 -0.57 0.00 1.57 3.08 -0.12 -3.37 114.38 115.03 2qbk h ARG 30 Ca 0.01 0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.10 2qbk h ARG 30 Cb 0.62 0.13 0.00 0.00 0.08 0.00 0.00 29.97 30.80 2qbk h ARG 30 CO 0.05 -0.38 -1.07 0.72 -1.07 0.00 0.00 179.97 178.22 2qbk n HIS 31 N -4.99 0.20 -0.75 3.04 8.25 -0.90 -4.96 115.22 115.12 2qbk n HIS 31 Ca -0.07 0.06 0.00 0.00 -0.26 0.00 0.00 57.72 57.44 2qbk n HIS 31 Cb 0.23 -0.37 0.00 0.00 1.12 0.00 0.00 29.99 30.97 2qbk n HIS 31 CO 0.00 0.00 0.00 0.39 0.64 0.00 0.00 176.34 177.37 2qbk n GLU 32 N -1.90 -0.34 -3.73 -0.41 1.02 0.21 -4.92 120.64 110.57 2qbk n GLU 32 Ca 0.02 0.08 -0.12 0.00 -0.02 0.00 0.00 57.16 57.12 2qbk n GLU 32 Cb 0.43 -3.97 -0.11 0.00 -0.02 0.00 0.00 31.44 27.76 2qbk n GLU 32 CO 0.00 0.00 0.00 0.96 1.18 0.00 0.00 177.13 179.27 2qbk s ILE 33 N -1.81 -0.01 0.02 -3.67 -5.25 -1.26 -1.16 121.20 108.05 2qbk s ILE 33 Ca 0.00 0.05 -0.13 0.00 -0.99 0.00 0.00 60.65 59.58 2qbk s ILE 33 Cb 0.00 -0.53 0.02 0.00 2.95 0.00 0.00 42.46 44.90 2qbk s ILE 33 CO 0.00 0.02 0.26 -0.63 -1.79 0.00 0.00 174.94 172.80 2qbk s ILE 34 N 0.70 0.08 -0.74 8.37 1.01 0.60 -4.95 121.20 126.27 2qbk s ILE 34 Ca -0.04 -0.65 0.04 0.00 0.00 0.00 0.00 60.65 60.00 2qbk s ILE 34 Cb -0.05 -0.75 0.20 0.00 0.01 0.00 0.00 42.46 41.87 2qbk s ILE 34 CO -0.05 -0.36 0.64 2.29 0.00 0.00 0.00 174.94 177.46 2qbk n LYS 35 N 0.96 2.23 -2.18 2.79 -0.00 -1.26 -0.28 118.16 120.42 2qbk n LYS 35 Ca -0.20 -4.54 -0.09 0.00 -0.00 0.00 0.00 58.31 53.48 2qbk n LYS 35 Cb 0.58 -2.31 0.01 0.00 -0.00 0.00 0.00 35.03 33.30 2qbk n LYS 35 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.40 175.03 2qbk n THR 36 N 1.72 0.00 -2.03 0.58 5.66 -1.26 -4.69 114.28 114.27 2qbk n THR 36 Ca 0.23 -0.80 -0.38 0.00 -3.05 0.00 0.00 64.05 60.05 2qbk n THR 36 Cb 0.37 -0.48 0.01 0.00 -1.55 0.00 0.00 70.33 68.68 2qbk n THR 36 CO 0.00 0.00 0.00 -0.89 -3.05 0.00 0.00 175.07 171.13 2qbk s THR 37 N -0.82 2.59 0.13 1.09 2.01 -1.26 0.16 115.64 119.55 2qbk s THR 37 Ca 0.15 0.46 -0.24 0.00 0.31 0.00 0.00 61.69 62.38 2qbk s THR 37 Cb -0.01 -3.24 -0.03 0.00 0.01 0.00 0.00 72.50 69.23 2qbk s THR 37 CO 0.10 0.01 1.64 0.25 -0.69 0.00 0.00 174.62 175.93 2qbk h LEU 38 N 1.92 -0.67 -0.03 4.42 5.85 -1.52 -0.26 115.31 125.02 2qbk h LEU 38 Ca -0.50 0.11 0.00 0.00 0.84 0.00 0.00 57.88 58.33 2qbk h LEU 38 Cb 1.27 0.29 -0.00 0.00 0.37 0.00 0.00 40.66 42.59 2qbk h LEU 38 CO 0.59 -0.27 0.02 -0.65 -0.34 0.00 0.00 178.44 177.79 2qbk h PRO 39 N -0.30 0.04 -0.88 5.25 0.11 -1.92 0.21 132.00 134.51 2qbk h PRO 39 Ca 0.09 -0.00 0.21 0.00 0.11 0.00 0.00 66.00 66.41 2qbk h PRO 39 Cb 0.43 -0.01 -0.06 0.00 0.11 0.00 0.00 31.00 31.47 2qbk h PRO 39 CO -0.26 0.03 0.59 0.87 -0.21 0.00 0.00 178.00 179.02 2qbk h LYS 40 N 0.03 0.27 0.01 1.05 1.57 -1.85 0.88 116.57 118.53 2qbk h LYS 40 Ca 0.01 -0.02 -0.00 0.00 -1.87 0.00 0.00 60.65 58.77 2qbk h LYS 40 Cb 0.00 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 32.25 2qbk h LYS 40 CO -0.00 0.18 -0.00 0.00 -0.57 0.00 0.00 179.45 179.05 2qbk h ALA 41 N 1.61 -0.01 0.00 3.86 0.00 -0.27 0.47 119.26 124.91 2qbk h ALA 41 Ca 0.45 -0.40 0.00 0.00 0.00 0.00 0.00 54.91 54.95 2qbk h ALA 41 Cb 1.30 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.09 2qbk h ALA 41 CO -0.13 -0.04 0.05 1.63 0.00 0.00 0.00 179.25 180.77 2qbk n LYS 42 N -4.67 0.00 -0.11 0.00 5.02 0.65 0.01 118.16 119.07 2qbk n LYS 42 Ca -0.09 0.43 -0.21 0.00 -2.02 0.00 0.00 58.31 56.42 2qbk n LYS 42 Cb 0.39 -1.55 -0.07 0.00 -0.02 0.00 0.00 35.03 33.78 2qbk n LYS 42 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 2qbk n GLU 43 N -1.43 0.49 -0.31 1.97 -0.58 0.21 -4.37 120.64 116.61 2qbk n GLU 43 Ca 0.00 0.21 0.29 0.00 -0.42 0.00 0.00 57.16 57.24 2qbk n GLU 43 Cb 0.05 -1.32 0.64 0.00 -0.57 0.00 0.00 31.44 30.24 2qbk n GLU 43 CO 0.00 0.00 0.00 1.25 -0.48 0.00 0.00 177.13 177.90 2qbk h LEU 44 N -0.84 0.20 -0.02 -4.62 5.85 0.14 -1.92 115.31 114.10 2qbk h LEU 44 Ca -0.46 0.04 0.00 0.00 0.84 0.00 0.00 57.88 58.30 2qbk h LEU 44 Cb 1.37 0.01 -0.00 0.00 0.37 0.00 0.00 40.66 42.40 2qbk h LEU 44 CO -0.28 0.03 -0.03 -0.09 -0.34 0.00 0.00 178.44 177.73 2qbk h ARG 45 N 0.18 -0.03 -2.94 1.25 2.43 -0.62 -2.20 114.38 112.44 2qbk h ARG 45 Ca 0.57 0.00 -0.28 0.00 -0.81 0.00 0.00 59.98 59.46 2qbk h ARG 45 Cb 1.88 0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 31.42 2qbk h ARG 45 CO -0.14 -0.02 1.53 2.89 -1.51 0.00 0.00 179.97 182.72 2qbk n ARG 46 N -2.79 1.82 0.06 0.20 1.85 -0.72 -2.68 116.66 114.40 2qbk n ARG 46 Ca -0.00 -1.14 0.00 0.00 -1.00 0.00 0.00 57.85 55.71 2qbk n ARG 46 Cb 0.02 -2.19 0.00 0.00 -1.05 0.00 0.00 32.46 29.24 2qbk n ARG 46 CO 0.00 0.00 0.00 0.28 -0.01 0.00 0.00 177.63 177.90 2qbk n VAL 47 N 3.49 0.00 0.03 8.89 0.31 -0.84 -4.91 118.33 125.31 2qbk n VAL 47 Ca 0.39 0.00 -0.22 0.00 -0.01 0.00 0.00 64.34 64.50 2qbk n VAL 47 Cb 0.33 -0.37 -0.14 0.00 -0.91 0.00 0.00 33.84 32.75 2qbk n VAL 47 CO 0.00 0.00 0.00 -0.37 -1.32 0.00 0.00 176.83 175.14 2qbk h VAL 48 N 0.00 0.92 -0.73 2.52 -1.51 -1.42 -3.26 116.25 112.77 2qbk h VAL 48 Ca 0.00 -2.43 0.15 0.00 -1.23 0.00 0.00 66.70 63.18 2qbk h VAL 48 Cb 0.00 2.69 -0.14 0.00 -2.13 0.00 0.00 31.29 31.71 2qbk h VAL 48 CO 0.00 0.80 -0.17 -0.33 -1.23 0.00 0.00 177.57 176.63 2qbk h GLU 49 N -0.08 0.00 -0.58 5.19 5.08 -1.78 0.80 114.58 123.23 2qbk h GLU 49 Ca -0.34 -0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.01 2qbk h GLU 49 Cb 1.95 -0.00 -0.03 0.00 0.50 0.00 0.00 28.75 31.17 2qbk h GLU 49 CO 0.11 0.00 0.33 -1.35 -1.00 0.00 0.00 179.01 177.10 2qbk h PRO 50 N 0.00 0.79 0.13 2.33 0.11 -1.82 0.38 132.00 133.94 2qbk h PRO 50 Ca 0.35 -0.08 0.02 0.00 0.11 0.00 0.00 66.00 66.39 2qbk h PRO 50 Cb 0.54 -0.16 -0.04 0.00 0.11 0.00 0.00 31.00 31.45 2qbk h PRO 50 CO -0.75 0.60 -0.30 -0.07 -0.21 0.00 0.00 178.00 177.27 2qbk h LEU 51 N 0.78 -0.87 -0.96 2.35 4.07 -0.01 0.79 115.31 121.45 2qbk h LEU 51 Ca 0.20 0.10 0.02 0.00 0.08 0.00 0.00 57.88 58.29 2qbk h LEU 51 Cb 0.02 0.33 -0.05 0.00 1.08 0.00 0.00 40.66 42.04 2qbk h LEU 51 CO -0.03 -0.40 0.63 0.40 -1.08 0.00 0.00 178.44 177.96 2qbk h ILE 52 N -0.53 1.20 -0.56 1.22 2.04 0.55 1.22 117.51 122.64 2qbk h ILE 52 Ca 0.03 -0.43 0.05 0.00 1.00 0.00 0.00 64.86 65.51 2qbk h ILE 52 Cb 0.56 -0.16 -0.03 0.00 -0.74 0.00 0.00 36.82 36.45 2qbk h ILE 52 CO -0.17 0.23 0.37 0.74 0.00 0.00 0.00 178.15 179.32 2qbk h THR 53 N 1.25 1.03 0.00 -0.27 2.02 0.95 0.42 112.91 118.31 2qbk h THR 53 Ca 0.37 -0.20 -0.08 0.00 0.77 0.00 0.00 66.41 67.27 2qbk h THR 53 Cb -0.07 0.38 -0.01 0.00 -1.74 0.00 0.00 68.15 66.72 2qbk h THR 53 CO -0.10 0.11 -0.41 0.25 0.37 0.00 0.00 175.52 175.73 2qbk h LEU 54 N 0.59 0.00 -1.89 2.58 5.85 0.41 -3.19 115.31 119.66 2qbk h LEU 54 Ca 0.24 0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.93 2qbk h LEU 54 Cb 0.19 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.22 2qbk h LEU 54 CO -0.07 0.37 -0.11 0.00 -0.34 0.00 0.00 178.44 178.29 2qbk h ALA 55 N 1.63 1.25 -0.43 1.25 0.00 0.59 -3.08 119.26 120.47 2qbk h ALA 55 Ca -0.01 -0.10 0.09 0.00 0.00 0.00 0.00 54.91 54.89 2qbk h ALA 55 Cb 1.29 -0.02 -0.09 0.00 0.00 0.00 0.00 17.79 18.97 2qbk h ALA 55 CO 0.05 0.14 -0.24 0.87 0.00 0.00 0.00 179.25 180.08 2qbk h LYS 56 N 0.00 -0.15 -5.44 0.00 1.79 -1.40 -3.32 116.57 108.05 2qbk h LYS 56 Ca -0.00 0.01 -0.60 0.00 -2.18 0.00 0.00 60.65 57.88 2qbk h LYS 56 Cb 0.35 0.03 -0.11 0.00 -1.58 0.00 0.00 32.23 30.92 2qbk h LYS 56 CO 0.01 -0.10 -0.17 0.99 -1.08 0.00 0.00 179.45 179.11 2qbk s THR 57 N -6.10 5.18 0.00 -0.16 2.01 -1.16 -4.87 115.64 110.53 2qbk s THR 57 Ca -0.14 0.75 0.00 0.00 0.31 0.00 0.00 61.69 62.61 2qbk s THR 57 Cb 0.15 -3.75 0.00 0.00 0.01 0.00 0.00 72.50 68.91 2qbk s THR 57 CO 0.70 0.24 0.00 -0.67 -0.69 0.00 0.00 174.62 174.19 2qbk n ASP 58 N 4.53 0.00 -0.08 3.53 4.64 -1.26 -4.77 116.55 123.15 2qbk n ASP 58 Ca -0.08 0.00 0.00 0.00 -1.38 0.00 0.00 54.79 53.33 2qbk n ASP 58 Cb 0.51 0.00 0.00 0.00 -1.04 0.00 0.00 41.12 40.59 2qbk n ASP 58 CO 0.00 0.00 0.00 -0.24 -0.82 0.00 0.00 177.20 176.14 2qbk n SER 59 N 0.00 -2.19 -2.24 1.67 2.88 -1.26 -3.91 113.62 108.58 2qbk n SER 59 Ca 0.00 0.03 -0.03 0.00 -1.33 0.00 0.00 58.87 57.54 2qbk n SER 59 Cb 0.00 0.73 -0.04 0.00 -0.75 0.00 0.00 64.21 64.14 2qbk n SER 59 CO 0.00 0.00 0.00 0.52 -1.23 0.00 0.00 175.04 174.33 2qbk n VAL 60 N -0.44 0.88 0.10 2.46 0.31 -1.26 -2.13 118.33 118.26 2qbk n VAL 60 Ca 0.00 -0.41 0.00 0.00 -0.01 0.00 0.00 64.34 63.92 2qbk n VAL 60 Cb 0.00 -1.55 0.00 0.00 -0.91 0.00 0.00 33.84 31.38 2qbk n VAL 60 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2qbk n ALA 61 N 2.63 1.72 0.11 3.52 0.00 -1.26 -4.67 120.51 122.55 2qbk n ALA 61 Ca 0.11 0.00 0.04 0.00 0.00 0.00 0.00 53.44 53.59 2qbk n ALA 61 Cb 0.26 0.00 0.20 0.00 0.00 0.00 0.00 19.45 19.92 2qbk n ALA 61 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2qbk n ASN 62 N -3.04 0.17 -0.08 0.00 5.03 -1.02 0.67 115.26 116.99 2qbk n ASN 62 Ca 0.00 0.58 -0.16 0.00 0.87 0.00 0.00 54.58 55.86 2qbk n ASN 62 Cb 0.00 -0.60 -0.13 0.00 -1.02 0.00 0.00 39.78 38.03 2qbk n ASN 62 CO 0.00 0.00 0.00 -0.09 -1.83 0.00 0.00 177.26 175.34 2qbk h ARG 63 N 0.00 0.00 -0.04 3.52 9.65 -1.60 -2.32 114.38 123.59 2qbk h ARG 63 Ca 0.00 0.00 -0.01 0.00 -1.10 0.00 0.00 59.98 58.87 2qbk h ARG 63 Cb 0.04 0.00 -0.00 0.00 -1.39 0.00 0.00 29.97 28.62 2qbk h ARG 63 CO 0.00 1.00 0.01 0.00 2.80 0.00 0.00 179.97 183.77 2qbk h ARG 64 N -1.00 0.07 -0.29 0.20 3.08 -0.91 0.15 114.38 115.69 2qbk h ARG 64 Ca -0.11 -0.02 0.04 0.00 0.07 0.00 0.00 59.98 59.96 2qbk h ARG 64 Cb 1.10 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 31.12 2qbk h ARG 64 CO -0.07 0.32 0.20 1.25 -1.07 0.00 0.00 179.97 180.60 2qbk h LEU 65 N -0.18 0.18 -0.44 3.04 5.85 0.08 0.62 115.31 124.46 2qbk h LEU 65 Ca 0.01 -0.00 -0.12 0.00 0.84 0.00 0.00 57.88 58.61 2qbk h LEU 65 Cb 0.28 -0.04 -0.01 0.00 0.37 0.00 0.00 40.66 41.26 2qbk h LEU 65 CO 0.00 0.12 -0.19 0.00 -0.34 0.00 0.00 178.44 178.03 2qbk h ALA 66 N 1.84 0.61 0.00 1.25 0.00 -0.79 -2.33 119.26 119.85 2qbk h ALA 66 Ca 0.12 -0.37 -0.08 0.00 0.00 0.00 0.00 54.91 54.58 2qbk h ALA 66 Cb 0.23 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 2qbk h ALA 66 CO -0.02 0.57 -0.40 0.35 0.00 0.00 0.00 179.25 179.75 2qbk h PHE 67 N 0.73 0.00 0.00 0.00 3.57 0.22 -3.25 116.94 118.22 2qbk h PHE 67 Ca 0.10 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.60 2qbk h PHE 67 Cb 0.76 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.50 2qbk h PHE 67 CO 0.05 0.40 0.00 0.00 -2.23 0.00 0.00 178.31 176.53 2qbk n ALA 68 N -2.41 -0.01 -1.56 2.41 0.00 0.18 -4.01 120.51 115.12 2qbk n ALA 68 Ca -0.01 0.00 -0.32 0.00 0.00 0.00 0.00 53.44 53.11 2qbk n ALA 68 Cb 0.45 0.26 0.04 0.00 0.00 0.00 0.00 19.45 20.20 2qbk n ALA 68 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.50 176.52 2qbk s ARG 69 N -1.32 2.97 -0.26 0.00 3.03 -1.23 -4.35 118.95 117.79 2qbk s ARG 69 Ca 0.00 1.11 -0.02 0.00 2.03 0.00 0.00 55.73 58.85 2qbk s ARG 69 Cb 0.00 -1.99 0.00 0.00 -1.03 0.00 0.00 34.95 31.93 2qbk s ARG 69 CO 0.00 -1.08 0.05 0.25 -1.13 0.00 0.00 175.30 173.39 2qbk n THR 70 N -2.74 -9.84 -0.33 4.99 -2.24 -1.26 -4.74 114.28 98.13 2qbk n THR 70 Ca 0.08 1.49 0.00 0.00 -2.27 0.00 0.00 64.05 63.35 2qbk n THR 70 Cb 0.53 -6.11 0.00 0.00 -2.10 0.00 0.00 70.33 62.65 2qbk n THR 70 CO 0.00 0.00 0.00 -1.14 -0.57 0.00 0.00 175.07 173.36 2qbk n ARG 71 N 0.74 0.82 -3.87 -0.78 3.00 -1.26 -4.59 116.66 110.73 2qbk n ARG 71 Ca 0.01 0.00 -0.33 0.00 -0.00 0.00 0.00 57.85 57.53 2qbk n ARG 71 Cb 0.15 -1.09 -0.13 0.00 0.00 0.00 0.00 32.46 31.39 2qbk n ARG 71 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.63 177.97 2qbk s ASP 72 N 1.93 4.72 0.00 6.15 3.68 -1.26 -4.90 116.67 126.98 2qbk s ASP 72 Ca 0.00 -2.82 0.00 0.00 2.13 0.00 0.00 52.55 51.86 2qbk s ASP 72 Cb 0.00 -1.72 0.01 0.00 -1.45 0.00 0.00 42.92 39.76 2qbk s ASP 72 CO 0.00 -0.31 0.61 -3.20 0.13 0.00 0.00 175.17 172.40 2qbk n ASN 73 N 3.43 0.00 0.01 -0.34 5.15 -1.26 -0.87 115.26 121.38 2qbk n ASN 73 Ca 0.05 0.10 -0.22 0.00 -0.60 0.00 0.00 54.58 53.92 2qbk n ASN 73 Cb 0.35 -0.10 -0.14 0.00 -0.53 0.00 0.00 39.78 39.36 2qbk n ASN 73 CO 0.00 0.00 0.00 -0.08 1.40 0.00 0.00 177.26 178.58 2qbk h GLU 74 N 0.00 0.25 0.01 1.20 4.81 -1.95 -3.33 114.58 115.57 2qbk h GLU 74 Ca 0.00 -0.43 -0.20 0.00 -0.13 0.00 0.00 59.36 58.60 2qbk h GLU 74 Cb 0.00 0.16 -0.01 0.00 0.63 0.00 0.00 28.75 29.53 2qbk h GLU 74 CO 0.00 1.21 -0.89 -0.84 -0.73 0.00 0.00 179.01 177.75 2qbk h ILE 75 N -0.27 1.53 -0.07 2.32 -0.00 -1.37 -2.78 117.51 116.86 2qbk h ILE 75 Ca -0.31 -2.73 0.02 0.00 -0.00 0.00 0.00 64.86 61.85 2qbk h ILE 75 Cb 1.79 2.52 -0.00 0.00 -0.00 0.00 0.00 36.82 41.13 2qbk h ILE 75 CO 0.07 0.79 0.10 -0.37 -0.00 0.00 0.00 178.15 178.74 2qbk h VAL 76 N 0.08 0.38 0.02 0.16 -1.51 -1.61 0.48 116.25 114.25 2qbk h VAL 76 Ca -0.04 0.00 -0.00 0.00 -1.23 0.00 0.00 66.70 65.43 2qbk h VAL 76 Cb 1.54 0.92 0.00 0.00 -2.13 0.00 0.00 31.29 31.61 2qbk h VAL 76 CO 0.13 0.00 -0.01 0.00 -1.23 0.00 0.00 177.57 176.46 2qbk h ALA 77 N 1.87 -0.03 -0.69 5.19 0.00 -1.60 -3.10 119.26 120.90 2qbk h ALA 77 Ca 0.03 -0.33 0.12 0.00 0.00 0.00 0.00 54.91 54.74 2qbk h ALA 77 Cb 0.23 0.01 -0.09 0.00 0.00 0.00 0.00 17.79 17.95 2qbk h ALA 77 CO -0.00 -0.17 0.26 -0.22 0.00 0.00 0.00 179.25 179.12 2qbk h LYS 78 N -0.71 0.41 -7.29 0.00 1.63 -0.66 -3.06 116.57 106.90 2qbk h LYS 78 Ca -0.00 -0.02 -0.51 0.00 -0.85 0.00 0.00 60.65 59.26 2qbk h LYS 78 Cb 0.66 -0.09 0.12 0.00 -0.60 0.00 0.00 32.23 32.31 2qbk h LYS 78 CO 0.00 0.27 0.34 -0.51 -3.45 0.00 0.00 179.45 176.11 2qbk s LEU 79 N -10.43 3.14 0.00 5.20 1.43 0.14 0.01 118.68 118.16 2qbk s LEU 79 Ca -0.13 1.83 0.00 0.00 -1.03 0.00 0.00 54.13 54.81 2qbk s LEU 79 Cb 0.19 -4.52 0.00 0.00 0.03 0.00 0.00 46.19 41.88 2qbk s LEU 79 CO 0.75 -1.84 0.00 0.49 0.23 0.00 0.00 176.35 175.99 2qbk n PHE 80 N -3.17 0.00 0.00 0.29 3.72 -1.25 -4.37 117.46 112.68 2qbk n PHE 80 Ca 0.09 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.49 2qbk n PHE 80 Cb 0.53 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.07 2qbk n PHE 80 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 176.76 176.80 2qbk n ASN 81 N 1.94 0.00 0.00 4.37 4.13 -1.15 -3.57 115.26 120.97 2qbk n ASN 81 Ca 0.00 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.26 2qbk n ASN 81 Cb 0.00 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.24 2qbk n ASN 81 CO 0.00 0.00 0.00 -0.62 0.28 0.00 0.00 177.26 176.92 2qbk n GLU 82 N -0.33 0.00 0.00 3.52 4.71 0.10 -3.34 120.64 125.31 2qbk n GLU 82 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.15 2qbk n GLU 82 Cb 0.00 -0.07 0.01 0.00 -1.01 0.00 0.00 31.44 30.37 2qbk n GLU 82 CO 0.00 0.00 0.00 1.47 0.09 0.00 0.00 177.13 178.69 2qbk n LEU 83 N 0.00 0.00 0.00 -4.62 -0.00 -0.29 -3.31 117.00 108.78 2qbk n LEU 83 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.01 2qbk n LEU 83 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.42 2qbk n LEU 83 CO 0.00 0.00 0.14 0.61 -0.00 0.00 0.00 177.39 178.14 2qbk n GLY 84 N -0.31 -1.18 0.14 1.47 0.00 -1.21 -3.77 105.19 100.33 2qbk n GLY 84 Ca 0.00 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.14 2qbk n GLY 84 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2qbk n PRO 85 N -0.43 0.19 -0.17 1.61 -0.02 -1.23 -2.77 135.00 132.17 2qbk n PRO 85 Ca 0.00 0.48 0.29 0.00 -2.02 0.00 0.00 63.50 62.25 2qbk n PRO 85 Cb 0.00 -1.91 0.70 0.00 -0.02 0.00 0.00 33.50 32.27 2qbk n PRO 85 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2qbk h ARG 86 N 0.00 0.00 0.00 -0.52 2.47 -1.64 0.52 114.38 115.21 2qbk h ARG 86 Ca 0.00 0.00 -0.01 0.00 -1.26 0.00 0.00 59.98 58.71 2qbk h ARG 86 Cb 0.29 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 28.59 2qbk h ARG 86 CO 0.00 0.00 -0.22 1.19 0.56 0.00 0.00 179.97 181.50 2qbk n PHE 87 N -3.85 0.00 0.38 3.04 3.72 -1.11 -4.82 117.46 114.82 2qbk n PHE 87 Ca 0.20 -0.72 0.00 0.00 -0.05 0.00 0.00 57.45 56.88 2qbk n PHE 87 Cb 1.11 -0.13 0.00 0.00 -0.94 0.00 0.00 39.48 39.52 2qbk n PHE 87 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2qbk n ALA 88 N -0.92 1.83 0.00 4.37 0.00 0.18 -1.65 120.51 124.33 2qbk n ALA 88 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.55 2qbk n ALA 88 Cb 0.68 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 19.13 2qbk n ALA 88 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 2qbk n SER 89 N 0.74 0.00 -4.73 0.00 3.41 -1.26 -5.07 113.62 106.71 2qbk n SER 89 Ca 0.00 0.00 -0.37 0.00 -0.26 0.00 0.00 58.87 58.24 2qbk n SER 89 Cb 0.18 0.00 0.07 0.00 -0.26 0.00 0.00 64.21 64.20 2qbk n SER 89 CO 0.00 0.00 0.00 -0.60 -0.16 0.00 0.00 175.04 174.28 2qbk s ARG 90 N -0.04 2.49 0.00 4.33 6.06 -0.66 -4.90 118.95 126.24 2qbk s ARG 90 Ca 0.00 2.03 0.29 0.00 -2.50 0.00 0.00 55.73 55.55 2qbk s ARG 90 Cb 0.00 -1.84 1.20 0.00 0.06 0.00 0.00 34.95 34.37 2qbk s ARG 90 CO 0.00 -1.63 1.89 0.00 -2.50 0.00 0.00 175.30 173.06 2qbk n ALA 91 N -2.00 2.49 0.00 6.12 0.00 -1.26 -4.87 120.51 120.98 2qbk n ALA 91 Ca 0.16 -0.14 0.00 0.00 0.00 0.00 0.00 53.44 53.46 2qbk n ALA 91 Cb 0.48 -1.43 0.00 0.00 0.00 0.00 0.00 19.45 18.50 2qbk n ALA 91 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2qbk n GLY 92 N 1.47 1.22 1.86 0.00 0.00 -1.26 -5.01 105.19 103.47 2qbk n GLY 92 Ca 0.08 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.07 2qbk n GLY 92 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qbk n GLY 93 N 0.00 1.96 0.00 -0.02 0.00 -1.26 -4.44 105.19 101.43 2qbk n GLY 93 Ca 0.00 -0.28 0.00 0.00 0.00 0.00 0.00 46.02 45.74 2qbk n GLY 93 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2qbk n TYR 94 N 2.04 0.00 -4.11 1.61 4.01 -1.26 -4.56 117.16 114.89 2qbk n TYR 94 Ca 0.10 0.00 -0.08 0.00 -0.16 0.00 0.00 57.90 57.76 2qbk n TYR 94 Cb 0.42 0.00 -0.10 0.00 -0.31 0.00 0.00 39.34 39.35 2qbk n TYR 94 CO 0.00 0.00 0.00 -0.08 -0.46 0.00 0.00 176.86 176.32 2qbk s THR 95 N -2.00 0.39 0.13 -0.72 -1.32 -1.26 -2.72 115.64 108.14 2qbk s THR 95 Ca 0.01 -1.82 0.01 0.00 -1.21 0.00 0.00 61.69 58.68 2qbk s THR 95 Cb 0.01 -1.53 -0.04 0.00 -1.51 0.00 0.00 72.50 69.42 2qbk s THR 95 CO 0.01 -0.93 0.00 -0.60 -2.21 0.00 0.00 174.62 170.89 2qbk s ARG 96 N -3.79 0.93 -0.06 7.08 6.06 -0.52 -4.71 118.95 123.95 2qbk s ARG 96 Ca 0.08 -1.42 0.03 0.00 -2.50 0.00 0.00 55.73 51.91 2qbk s ARG 96 Cb 0.06 -0.04 -0.05 0.00 0.06 0.00 0.00 34.95 34.98 2qbk s ARG 96 CO -0.08 -0.14 -0.02 0.44 -2.50 0.00 0.00 175.30 173.00 2qbk n ILE 97 N -0.11 0.38 -3.69 4.11 -6.64 -1.26 -2.29 119.36 109.85 2qbk n ILE 97 Ca -0.08 -0.18 -0.27 0.00 -1.77 0.00 0.00 62.75 60.45 2qbk n ILE 97 Cb 0.63 -0.80 0.01 0.00 -1.44 0.00 0.00 39.64 38.04 2qbk n ILE 97 CO 0.00 0.00 0.00 0.18 -1.77 0.00 0.00 176.55 174.96 2qbk n LEU 98 N -2.46 -2.28 -4.49 7.28 7.99 -1.25 0.74 117.00 122.54 2qbk n LEU 98 Ca -0.10 -0.74 -0.28 0.00 -0.01 0.00 0.00 56.01 54.87 2qbk n LEU 98 Cb 0.65 -1.71 0.25 0.00 -0.11 0.00 0.00 43.42 42.50 2qbk n LEU 98 CO 0.09 0.21 0.52 -0.54 -1.51 0.00 0.00 177.39 176.16 2qbk s LYS 99 N -4.31 -1.05 0.00 3.23 1.02 -1.26 -1.73 119.74 115.64 2qbk s LYS 99 Ca 0.09 0.70 0.00 0.00 0.02 0.00 0.00 55.97 56.78 2qbk s LYS 99 Cb -0.01 -1.55 0.00 0.00 -0.52 0.00 0.00 37.83 35.75 2qbk s LYS 99 CO 0.89 -3.77 0.00 0.00 -0.92 0.00 0.00 175.35 171.54 2qbk n GLY 101 N -0.57 -0.41 1.76 0.00 0.00 -0.42 -4.81 105.19 100.75 2qbk n GLY 101 Ca 0.00 -0.22 -0.00 0.00 0.00 0.00 0.00 46.02 45.80 2qbk n GLY 101 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2qbk n PHE 102 N -1.60 -0.93 -2.54 1.61 3.01 -1.03 -4.44 117.46 111.54 2qbk n PHE 102 Ca -0.00 0.45 -0.06 0.00 1.01 0.00 0.00 57.45 58.85 2qbk n PHE 102 Cb 0.53 -2.06 0.03 0.00 -0.01 0.00 0.00 39.48 37.98 2qbk n PHE 102 CO 0.00 0.00 0.00 -2.13 1.01 0.00 0.00 176.76 175.64 2qbk n ARG 103 N 0.22 0.56 0.00 -1.08 0.63 -0.52 -4.84 116.66 111.64 2qbk n ARG 103 Ca -0.03 -0.75 0.00 0.00 -0.92 0.00 0.00 57.85 56.15 2qbk n ARG 103 Cb 0.04 -0.14 0.00 0.00 0.45 0.00 0.00 32.46 32.81 2qbk n ARG 103 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2qbk n ALA 104 N -2.93 0.00 -0.10 5.13 0.00 -1.26 -4.60 120.51 116.75 2qbk n ALA 104 Ca -0.04 -0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.26 2qbk n ALA 104 Cb 0.16 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.52 2qbk n ALA 104 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 2qbk h GLY 105 N 0.00 -0.92 -5.22 0.00 0.00 -2.00 -3.40 103.07 91.54 2qbk h GLY 105 Ca 0.00 0.66 -0.65 0.00 0.00 0.00 0.00 47.33 47.35 2qbk h GLY 105 CO 0.00 -0.16 -0.51 0.51 0.00 0.00 0.00 176.54 176.38 2qbk s ASP 106 N -4.99 6.20 0.00 0.19 1.47 -1.26 -4.96 116.67 113.31 2qbk s ASP 106 Ca -0.15 0.31 0.00 0.00 1.18 0.00 0.00 52.55 53.90 2qbk s ASP 106 Cb 0.09 -1.92 0.00 0.00 -0.34 0.00 0.00 42.92 40.75 2qbk s ASP 106 CO 0.62 0.29 0.50 -3.20 0.68 0.00 0.00 175.17 174.06 2qbk n ASN 107 N 1.17 0.53 -4.74 2.11 4.05 -1.26 -3.38 115.26 113.74 2qbk n ASN 107 Ca -0.13 -1.54 -0.42 0.00 0.45 0.00 0.00 54.58 52.95 2qbk n ASN 107 Cb 0.53 -0.26 -0.02 0.00 1.23 0.00 0.00 39.78 41.25 2qbk n ASN 107 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 2qbk s ALA 108 N -1.31 3.80 -0.33 5.20 0.00 -1.26 -4.48 121.76 123.38 2qbk s ALA 108 Ca 0.00 1.53 -0.28 0.00 0.00 0.00 0.00 51.96 53.21 2qbk s ALA 108 Cb 0.00 -3.65 0.02 0.00 0.00 0.00 0.00 23.12 19.48 2qbk s ALA 108 CO 0.00 -0.92 1.03 -1.25 0.00 0.00 0.00 175.76 174.63 2qbk s PRO 109 N 0.24 4.01 0.00 0.00 0.04 -1.26 -1.44 135.00 136.60 2qbk s PRO 109 Ca 0.67 0.95 0.00 0.00 0.04 0.00 0.00 61.00 62.66 2qbk s PRO 109 Cb -0.47 -3.75 0.00 0.00 0.04 0.00 0.00 34.50 30.31 2qbk s PRO 109 CO 0.40 -0.91 0.00 -1.33 0.04 0.00 0.00 177.00 175.20 2qbk n MET 110 N 6.84 1.02 0.00 4.56 2.81 -1.26 -1.78 117.12 129.31 2qbk n MET 110 Ca 0.11 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 56.00 2qbk n MET 110 Cb 0.47 0.00 0.00 0.00 -0.71 0.00 0.00 33.22 32.98 2qbk n MET 110 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 2qbk n ALA 111 N -3.00 0.00 -2.79 3.04 0.00 0.12 -1.30 120.51 116.59 2qbk n ALA 111 Ca 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 53.44 53.38 2qbk n ALA 111 Cb 0.00 0.00 0.02 0.00 0.00 0.00 0.00 19.45 19.47 2qbk n ALA 111 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 2qbk n TYR 112 N 0.00 -3.54 -1.85 0.00 4.01 0.23 -4.00 117.16 112.00 2qbk n TYR 112 Ca 0.00 -1.58 -0.40 0.00 -0.16 0.00 0.00 57.90 55.75 2qbk n TYR 112 Cb 0.00 1.44 0.00 0.00 -0.31 0.00 0.00 39.34 40.47 2qbk n TYR 112 CO 0.00 0.00 0.00 -1.50 -0.46 0.00 0.00 176.86 174.90 2qbk s ILE 113 N 0.76 2.17 0.03 -0.72 1.10 0.61 -3.82 121.20 121.33 2qbk s ILE 113 Ca 0.31 0.16 -0.27 0.00 -0.51 0.00 0.00 60.65 60.34 2qbk s ILE 113 Cb 0.07 -3.10 0.07 0.00 0.15 0.00 0.00 42.46 39.65 2qbk s ILE 113 CO -0.11 0.03 0.62 -0.70 -2.11 0.00 0.00 174.94 172.67 2qbk s GLU 114 N -2.19 1.12 -0.10 3.50 2.12 -0.97 -0.29 118.70 121.89 2qbk s GLU 114 Ca 0.55 -0.07 -0.30 0.00 0.36 0.00 0.00 54.97 55.52 2qbk s GLU 114 Cb -0.44 0.52 -0.02 0.00 0.26 0.00 0.00 34.13 34.44 2qbk s GLU 114 CO 0.59 -0.41 1.20 -0.51 -0.54 0.00 0.00 175.26 175.59 2qbk s LEU 115 N -1.83 4.24 0.57 2.70 1.43 -0.31 -1.43 118.68 124.05 2qbk s LEU 115 Ca -0.06 1.74 0.44 0.00 -1.03 0.00 0.00 54.13 55.21 2qbk s LEU 115 Cb -0.00 -3.55 1.56 0.00 0.03 0.00 0.00 46.19 44.23 2qbk s LEU 115 CO 0.01 -0.64 1.57 1.62 0.23 0.00 0.00 176.35 179.13 2qbk h VAL 116 N 5.19 0.07 -1.58 -1.59 3.04 -1.75 0.61 116.25 120.23 2qbk h VAL 116 Ca -0.31 0.00 -0.62 0.00 -1.01 0.00 0.00 66.70 64.76 2qbk h VAL 116 Cb 1.14 0.08 -0.39 0.00 -2.01 0.00 0.00 31.29 30.10 2qbk h VAL 116 CO 0.91 0.00 -0.38 -0.90 -1.01 0.00 0.00 177.57 176.19 2qbk n ASP 117 N -3.84 5.27 0.08 3.17 3.85 -1.26 -4.71 116.55 119.11 2qbk n ASP 117 Ca 0.37 -3.74 0.06 0.00 -0.71 0.00 0.00 54.79 50.77 2qbk n ASP 117 Cb 1.79 -0.58 -0.03 0.00 -1.35 0.00 0.00 41.12 40.96 2qbk n ASP 117 CO 0.00 0.00 0.00 -0.09 -1.01 0.00 0.00 177.20 176.10 2qbk h ARG 118 N 2.64 0.00 -4.86 0.11 1.12 -0.13 -3.41 114.38 109.86 2qbk h ARG 118 Ca 0.36 0.00 -0.52 0.00 -1.11 0.00 0.00 59.98 58.71 2qbk h ARG 118 Cb 0.77 0.00 0.04 0.00 -0.01 0.00 0.00 29.97 30.77 2qbk h ARG 118 CO 0.96 0.15 1.70 0.43 -3.11 0.00 0.00 179.97 180.10 2qbk n SER 119 N -2.82 2.38 0.00 -3.80 7.64 -1.26 -5.05 113.62 110.71 2qbk n SER 119 Ca -0.04 -2.65 0.00 0.00 1.01 0.00 0.00 58.87 57.19 2qbk n SER 119 Cb 0.68 -1.23 0.00 0.00 -1.01 0.00 0.00 64.21 62.65 2qbk n SER 119 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41