#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qbk h LYS 2 N 0.00 -0.00 -0.29 0.00 2.10 -1.96 0.26 116.57 116.68 2qbk h LYS 2 Ca 0.00 0.00 -0.17 0.00 -2.00 0.00 0.00 60.65 58.48 2qbk h LYS 2 Cb 0.00 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 31.33 2qbk h LYS 2 CO 0.00 -0.00 -0.50 1.25 -2.00 0.00 0.00 179.45 178.20 2qbk h LEU 3 N -0.00 0.89 -0.91 7.07 7.12 -1.98 -2.83 115.31 124.66 2qbk h LEU 3 Ca 0.10 -0.45 0.08 0.00 0.13 0.00 0.00 57.88 57.74 2qbk h LEU 3 Cb 0.25 -0.25 -0.11 0.00 -0.53 0.00 0.00 40.66 40.01 2qbk h LEU 3 CO -0.56 1.23 -0.59 -0.74 -0.13 0.00 0.00 178.44 177.65 2qbk h HIS 4 N 0.63 -1.87 -0.31 1.25 2.76 -1.18 0.47 115.15 116.89 2qbk h HIS 4 Ca 0.03 0.12 -0.02 0.00 -2.20 0.00 0.00 60.37 58.30 2qbk h HIS 4 Cb 1.08 0.94 -0.01 0.00 1.55 0.00 0.00 27.41 30.97 2qbk h HIS 4 CO 0.06 -0.39 0.10 -0.44 -1.30 0.00 0.00 177.93 175.96 2qbk h ASP 5 N -0.06 0.45 -1.12 3.26 3.45 -0.65 -2.06 116.42 119.69 2qbk h ASP 5 Ca 0.15 -0.20 0.32 0.00 0.43 0.00 0.00 57.03 57.73 2qbk h ASP 5 Cb 0.44 -0.12 -0.04 0.00 -0.56 0.00 0.00 39.33 39.04 2qbk h ASP 5 CO -0.89 0.54 0.81 0.22 -1.57 0.00 0.00 179.24 178.35 2qbk h TYR 6 N 0.35 0.00 0.27 4.55 5.03 -0.54 0.28 116.97 126.91 2qbk h TYR 6 Ca 0.10 0.00 -0.01 0.00 2.58 0.00 0.00 58.73 61.40 2qbk h TYR 6 Cb 0.24 0.00 0.00 0.00 1.55 0.00 0.00 36.73 38.53 2qbk h TYR 6 CO 0.01 0.00 -0.13 -0.92 -1.32 0.00 0.00 178.16 175.80 2qbk h TYR 7 N 0.00 -0.34 -0.03 -3.82 3.20 0.53 -0.61 116.97 115.90 2qbk h TYR 7 Ca 0.53 -0.01 0.01 0.00 3.14 0.00 0.00 58.73 62.40 2qbk h TYR 7 Cb 2.15 0.11 -0.01 0.00 1.54 0.00 0.00 36.73 40.52 2qbk h TYR 7 CO 0.00 0.02 -0.03 -0.22 -1.64 0.00 0.00 178.16 176.29 2qbk h LYS 8 N -0.84 -0.04 0.00 1.82 3.11 -0.60 -1.95 116.57 118.07 2qbk h LYS 8 Ca -0.04 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.81 2qbk h LYS 8 Cb 0.51 0.01 0.00 0.00 -1.00 0.00 0.00 32.23 31.75 2qbk h LYS 8 CO 0.06 -0.03 0.00 -0.25 -2.81 0.00 0.00 179.45 176.42 2qbk n ASP 9 N -5.14 0.00 0.26 4.20 10.43 0.71 -4.52 116.55 122.49 2qbk n ASP 9 Ca -0.06 0.08 -0.16 0.00 2.57 0.00 0.00 54.79 57.22 2qbk n ASP 9 Cb 0.07 0.00 -0.09 0.00 1.84 0.00 0.00 41.12 42.95 2qbk n ASP 9 CO 0.00 0.00 0.00 -0.08 -1.07 0.00 0.00 177.20 176.05 2qbk h GLU 10 N 0.00 -0.87 0.00 -1.24 4.22 -1.52 -3.40 114.58 111.77 2qbk h GLU 10 Ca 0.00 0.06 0.00 0.00 0.08 0.00 0.00 59.36 59.50 2qbk h GLU 10 Cb 0.00 0.20 0.00 0.00 0.50 0.00 0.00 28.75 29.45 2qbk h GLU 10 CO 0.00 -0.58 0.00 0.28 -2.18 0.00 0.00 179.01 176.53 2qbk n VAL 11 N -5.23 0.00 0.00 0.32 0.31 -0.32 -3.62 118.33 109.79 2qbk n VAL 11 Ca -0.11 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.22 2qbk n VAL 11 Cb 0.42 -0.68 0.00 0.00 -0.91 0.00 0.00 33.84 32.67 2qbk n VAL 11 CO 0.00 0.00 0.00 0.52 -1.32 0.00 0.00 176.83 176.03 2qbk n VAL 12 N -1.64 0.00 -0.24 2.52 0.31 -0.96 -3.90 118.33 114.41 2qbk n VAL 12 Ca 0.00 0.00 -0.01 0.00 -0.01 0.00 0.00 64.34 64.32 2qbk n VAL 12 Cb 0.00 0.00 0.20 0.00 -0.91 0.00 0.00 33.84 33.13 2qbk n VAL 12 CO 0.00 0.00 0.00 0.07 -1.32 0.00 0.00 176.83 175.58 2qbk h LYS 13 N 0.00 1.05 -0.34 5.55 2.10 -1.77 0.47 116.57 123.63 2qbk h LYS 13 Ca 0.00 -0.09 0.05 0.00 -2.00 0.00 0.00 60.65 58.62 2qbk h LYS 13 Cb 0.00 -0.23 -0.05 0.00 -0.90 0.00 0.00 32.23 31.06 2qbk h LYS 13 CO 0.00 0.73 0.05 -0.22 -2.00 0.00 0.00 179.45 178.01 2qbk h LYS 14 N 1.07 0.15 -0.13 0.07 3.11 -1.67 0.13 116.57 119.31 2qbk h LYS 14 Ca 0.28 -0.01 -0.16 0.00 -2.81 0.00 0.00 60.65 57.95 2qbk h LYS 14 Cb -0.06 -0.03 -0.01 0.00 -1.00 0.00 0.00 32.23 31.13 2qbk h LYS 14 CO -0.05 0.10 -0.61 -0.07 -2.81 0.00 0.00 179.45 176.00 2qbk h LEU 15 N 0.16 0.51 -1.63 5.20 3.38 -1.71 -1.38 115.31 119.84 2qbk h LEU 15 Ca 0.16 -0.29 -0.01 0.00 0.09 0.00 0.00 57.88 57.82 2qbk h LEU 15 Cb 0.19 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.78 2qbk h LEU 15 CO -0.23 1.00 0.07 0.24 0.09 0.00 0.00 178.44 179.61 2qbk h MET 16 N 0.33 0.31 0.00 1.13 2.86 0.10 -0.83 114.93 118.83 2qbk h MET 16 Ca -0.01 -0.03 0.00 0.00 -2.06 0.00 0.00 59.70 57.60 2qbk h MET 16 Cb 1.16 -0.06 0.00 0.00 0.06 0.00 0.00 31.60 32.76 2qbk h MET 16 CO 0.11 0.28 -1.02 0.25 1.06 0.00 0.00 176.91 177.58 2qbk n THR 17 N -4.43 0.07 0.00 2.22 -2.24 0.36 -3.00 114.28 107.26 2qbk n THR 17 Ca 0.00 -0.14 0.00 0.00 -2.27 0.00 0.00 64.05 61.64 2qbk n THR 17 Cb 0.14 0.47 0.00 0.00 -2.10 0.00 0.00 70.33 68.84 2qbk n THR 17 CO 0.00 0.00 0.00 1.21 -0.57 0.00 0.00 175.07 175.71 2qbk n GLU 18 N -1.76 0.00 0.14 -0.78 0.00 -0.53 -4.46 120.64 113.26 2qbk n GLU 18 Ca 0.03 0.00 0.12 0.00 0.00 0.00 0.00 57.16 57.30 2qbk n GLU 18 Cb 0.40 -0.12 0.52 0.00 0.00 0.00 0.00 31.44 32.24 2qbk n GLU 18 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.13 178.32 2qbk n PHE 19 N -0.37 0.79 -2.91 4.31 3.01 -0.40 -4.93 117.46 116.96 2qbk n PHE 19 Ca 0.00 0.34 -0.10 0.00 1.01 0.00 0.00 57.45 58.70 2qbk n PHE 19 Cb 0.00 -1.04 0.01 0.00 -0.01 0.00 0.00 39.48 38.44 2qbk n PHE 19 CO 0.00 0.00 0.00 -1.71 1.01 0.00 0.00 176.76 176.06 2qbk n ASN 20 N -2.25 -7.68 -4.76 4.37 5.15 -0.91 -4.98 115.26 104.20 2qbk n ASN 20 Ca 0.01 0.60 -0.37 0.00 -0.60 0.00 0.00 54.58 54.22 2qbk n ASN 20 Cb 0.17 -4.91 -0.06 0.00 -0.53 0.00 0.00 39.78 34.45 2qbk n ASN 20 CO 0.00 0.00 0.00 -0.31 1.40 0.00 0.00 177.26 178.35 2qbk s TYR 21 N -2.30 3.56 0.37 1.20 2.02 -1.22 -4.97 117.35 116.01 2qbk s TYR 21 Ca 0.22 0.82 0.27 0.00 -0.37 0.00 0.00 57.07 58.01 2qbk s TYR 21 Cb -0.05 -2.40 1.39 0.00 -0.40 0.00 0.00 41.96 40.49 2qbk s TYR 21 CO 0.77 0.33 2.04 -2.95 -1.57 0.00 0.00 175.55 174.17 2qbk h ASN 22 N 6.11 0.00 -4.17 2.29 -1.07 -1.93 -3.43 115.58 113.37 2qbk h ASN 22 Ca -0.44 0.00 -0.48 0.00 0.07 0.00 0.00 56.30 55.45 2qbk h ASN 22 Cb 1.19 0.00 -0.29 0.00 -2.07 0.00 0.00 38.32 37.15 2qbk h ASN 22 CO 0.71 0.13 -0.81 -0.55 0.07 0.00 0.00 177.43 176.98 2qbk s SER 23 N -6.12 1.59 0.65 6.14 0.15 -1.26 -5.00 113.70 109.85 2qbk s SER 23 Ca -0.02 -0.25 0.42 0.00 0.70 0.00 0.00 55.95 56.81 2qbk s SER 23 Cb 0.13 -0.19 2.31 0.00 -1.71 0.00 0.00 66.02 66.55 2qbk s SER 23 CO 0.59 0.16 2.34 1.62 1.20 0.00 0.00 173.24 179.15 2qbk h VAL 24 N 4.83 0.07 -1.11 4.45 3.04 -2.01 -2.99 116.25 122.53 2qbk h VAL 24 Ca -0.34 -0.03 -0.74 0.00 -1.01 0.00 0.00 66.70 64.58 2qbk h VAL 24 Cb 1.16 1.03 -0.12 0.00 -2.01 0.00 0.00 31.29 31.36 2qbk h VAL 24 CO 0.49 0.00 2.45 0.80 -1.01 0.00 0.00 177.57 180.30 2qbk n MET 25 N -3.18 4.55 0.00 4.17 0.00 -1.26 -3.79 117.12 117.61 2qbk n MET 25 Ca -0.03 -3.41 0.00 0.00 -0.00 0.00 0.00 57.70 54.27 2qbk n MET 25 Cb 0.09 -2.63 0.00 0.00 0.00 0.00 0.00 33.22 30.67 2qbk n MET 25 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 175.97 176.91 2qbk n GLN 26 N 1.77 0.00 -0.92 2.12 0.00 -1.13 -5.09 117.38 114.13 2qbk n GLN 26 Ca 0.63 0.00 -0.43 0.00 -0.00 0.00 0.00 57.00 57.20 2qbk n GLN 26 Cb 0.25 -0.04 -0.08 0.00 0.00 0.00 0.00 30.24 30.37 2qbk n GLN 26 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.06 178.39 2qbk n VAL 27 N -2.23 0.00 -1.50 1.69 0.24 -1.25 -4.53 118.33 110.74 2qbk n VAL 27 Ca 0.00 0.00 -0.34 0.00 -2.04 0.00 0.00 64.34 61.96 2qbk n VAL 27 Cb 0.00 -0.35 -0.16 0.00 -1.47 0.00 0.00 33.84 31.85 2qbk n VAL 27 CO 0.00 0.00 0.00 -2.65 -2.14 0.00 0.00 176.83 172.04 2qbk n PRO 28 N 5.04 0.08 -1.75 7.34 -0.02 -1.26 -4.89 135.00 139.55 2qbk n PRO 28 Ca 0.37 -0.03 -0.30 0.00 -2.02 0.00 0.00 63.50 61.53 2qbk n PRO 28 Cb -0.03 -1.54 0.17 0.00 -0.02 0.00 0.00 33.50 32.08 2qbk n PRO 28 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 2qbk s ARG 29 N 8.36 0.62 -0.08 -0.52 3.00 -1.26 -4.87 118.95 124.20 2qbk s ARG 29 Ca 1.31 -0.19 -0.21 0.00 0.00 0.00 0.00 55.73 56.64 2qbk s ARG 29 Cb -1.04 -1.82 -0.04 0.00 0.00 0.00 0.00 34.95 32.05 2qbk s ARG 29 CO 0.49 -2.46 0.62 0.08 0.00 0.00 0.00 175.30 174.02 2qbk s VAL 30 N -3.63 5.08 -0.70 3.52 1.01 -1.26 -3.12 120.40 121.31 2qbk s VAL 30 Ca 0.70 1.27 0.03 0.00 0.00 0.00 0.00 61.98 63.98 2qbk s VAL 30 Cb -0.07 -3.96 0.17 0.00 0.00 0.00 0.00 36.38 32.52 2qbk s VAL 30 CO 0.53 0.29 0.50 -0.70 0.00 0.00 0.00 175.10 175.72 2qbk s GLU 31 N 0.66 2.54 0.00 2.72 2.56 -1.16 -4.87 118.70 121.15 2qbk s GLU 31 Ca 0.33 -3.11 0.00 0.00 0.00 0.00 0.00 54.97 52.19 2qbk s GLU 31 Cb -0.17 -3.54 0.00 0.00 2.00 0.00 0.00 34.13 32.42 2qbk s GLU 31 CO 0.16 -1.23 0.00 0.36 -0.56 0.00 0.00 175.26 173.98 2qbk n LYS 32 N 2.42 0.00 -1.33 4.30 0.00 -1.26 -4.45 118.16 117.83 2qbk n LYS 32 Ca 0.16 0.00 -0.30 0.00 -0.00 0.00 0.00 58.31 58.17 2qbk n LYS 32 Cb 0.35 -0.36 0.11 0.00 -0.00 0.00 0.00 35.03 35.13 2qbk n LYS 32 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.40 177.82 2qbk s ILE 33 N -0.60 3.01 -0.02 0.58 1.01 -1.26 -4.51 121.20 119.42 2qbk s ILE 33 Ca 0.00 0.33 -0.02 0.00 0.00 0.00 0.00 60.65 60.96 2qbk s ILE 33 Cb 0.00 -2.90 -0.02 0.00 0.01 0.00 0.00 42.46 39.56 2qbk s ILE 33 CO 0.00 -0.43 -0.05 0.35 0.00 0.00 0.00 174.94 174.81 2qbk n THR 34 N -3.63 0.48 -1.09 2.92 -2.24 -0.81 0.12 114.28 110.02 2qbk n THR 34 Ca 0.07 0.05 0.03 0.00 -2.27 0.00 0.00 64.05 61.94 2qbk n THR 34 Cb 0.55 -1.59 -0.02 0.00 -2.10 0.00 0.00 70.33 67.17 2qbk n THR 34 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 2qbk n LEU 35 N -3.29 -1.07 0.15 3.22 4.77 -1.25 -1.18 117.00 118.34 2qbk n LEU 35 Ca -0.06 1.95 0.00 0.00 -0.03 0.00 0.00 56.01 57.87 2qbk n LEU 35 Cb 0.44 -2.00 0.00 0.00 -2.33 0.00 0.00 43.42 39.53 2qbk n LEU 35 CO 0.01 -0.83 0.00 -3.20 -1.33 0.00 0.00 177.39 172.04 2qbk n ASN 36 N -2.66 -1.64 -3.46 -1.43 5.15 -0.62 -4.07 115.26 106.53 2qbk n ASN 36 Ca -0.02 0.54 -0.18 0.00 -0.60 0.00 0.00 54.58 54.32 2qbk n ASN 36 Cb 0.38 1.68 0.03 0.00 -0.53 0.00 0.00 39.78 41.33 2qbk n ASN 36 CO 0.00 0.00 0.00 0.80 1.40 0.00 0.00 177.26 179.46 2qbk n MET 37 N -3.25 -1.44 -2.59 1.20 0.00 -1.26 -1.93 117.12 107.85 2qbk n MET 37 Ca 0.00 0.89 -0.43 0.00 -0.00 0.00 0.00 57.70 58.15 2qbk n MET 37 Cb 0.00 -4.49 0.00 0.00 0.00 0.00 0.00 33.22 28.74 2qbk n MET 37 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 2qbk n GLY 38 N -1.65 4.02 0.28 -5.12 0.00 -1.26 -3.18 105.19 98.28 2qbk n GLY 38 Ca -0.11 -2.00 0.14 0.00 0.00 0.00 0.00 46.02 44.06 2qbk n GLY 38 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 2qbk h VAL 39 N 4.25 0.52 0.00 1.61 3.04 -1.87 -3.46 116.25 120.34 2qbk h VAL 39 Ca 0.37 -0.24 0.00 0.00 -1.01 0.00 0.00 66.70 65.83 2qbk h VAL 39 Cb 0.75 1.15 0.00 0.00 -2.01 0.00 0.00 31.29 31.18 2qbk h VAL 39 CO 1.46 0.05 0.00 0.61 -1.01 0.00 0.00 177.57 178.68 2qbk n GLY 40 N -1.02 3.27 5.46 3.17 0.00 0.42 -4.81 105.19 111.69 2qbk n GLY 40 Ca -0.02 -0.21 0.00 0.00 0.00 0.00 0.00 46.02 45.78 2qbk n GLY 40 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2qbk n GLU 41 N 13.90 0.00 0.00 1.61 -0.58 -1.26 -4.77 120.64 129.54 2qbk n GLU 41 Ca 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.74 2qbk n GLU 41 Cb 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 30.87 2qbk n GLU 41 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2qbk n ALA 42 N 6.02 0.00 -0.18 0.62 0.00 -1.26 -4.07 120.51 121.64 2qbk n ALA 42 Ca 0.00 0.00 0.14 0.00 0.00 0.00 0.00 53.44 53.58 2qbk n ALA 42 Cb 0.00 0.00 0.26 0.00 0.00 0.00 0.00 19.45 19.71 2qbk n ALA 42 CO 0.00 0.00 0.00 1.51 0.00 0.00 0.00 177.50 179.01 2qbk n ILE 43 N 0.00 -0.23 0.00 0.00 0.13 -1.26 0.92 119.36 118.93 2qbk n ILE 43 Ca 0.00 1.12 0.00 0.00 -1.10 0.00 0.00 62.75 62.77 2qbk n ILE 43 Cb 0.00 -1.75 0.00 0.00 -0.84 0.00 0.00 39.64 37.05 2qbk n ILE 43 CO 0.00 0.00 0.00 0.00 2.80 0.00 0.00 176.55 179.35 2qbk n ALA 44 N -2.89 -0.02 0.08 1.51 0.00 -1.26 -4.64 120.51 113.29 2qbk n ALA 44 Ca 0.18 0.00 -0.23 0.00 0.00 0.00 0.00 53.44 53.39 2qbk n ALA 44 Cb 0.59 0.00 -0.15 0.00 0.00 0.00 0.00 19.45 19.89 2qbk n ALA 44 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.50 177.72 2qbk h ASP 45 N 0.00 0.63 0.00 0.00 -0.00 -1.79 -3.47 116.42 111.78 2qbk h ASP 45 Ca 0.00 -0.92 0.00 0.00 -0.00 0.00 0.00 57.03 56.11 2qbk h ASP 45 Cb 0.00 -0.20 0.00 0.00 -0.00 0.00 0.00 39.33 39.13 2qbk h ASP 45 CO 0.00 1.78 0.00 0.29 -0.00 0.00 0.00 179.24 181.31 2qbk n LYS 46 N -3.59 0.00 0.08 0.28 5.02 0.26 -4.52 118.16 115.69 2qbk n LYS 46 Ca -0.24 0.00 -0.09 0.00 -2.02 0.00 0.00 58.31 55.96 2qbk n LYS 46 Cb 1.08 -0.39 -0.05 0.00 -0.02 0.00 0.00 35.03 35.65 2qbk n LYS 46 CO 0.00 0.00 0.00 0.87 -0.52 0.00 0.00 177.40 177.75 2qbk h LYS 47 N 0.00 0.15 -0.04 1.97 6.56 -1.92 -3.12 116.57 120.18 2qbk h LYS 47 Ca 0.00 -0.20 0.01 0.00 -1.06 0.00 0.00 60.65 59.40 2qbk h LYS 47 Cb 0.00 0.06 -0.00 0.00 -0.57 0.00 0.00 32.23 31.72 2qbk h LYS 47 CO 0.00 0.99 0.24 1.37 -2.06 0.00 0.00 179.45 180.00 2qbk h LEU 48 N 0.07 0.00 0.42 2.94 -0.00 -1.93 0.91 115.31 117.72 2qbk h LEU 48 Ca -0.05 0.00 -0.02 0.00 -0.00 0.00 0.00 57.88 57.81 2qbk h LEU 48 Cb 1.63 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 42.29 2qbk h LEU 48 CO 0.14 0.00 -0.20 0.25 -0.00 0.00 0.00 178.44 178.63 2qbk h LEU 49 N 0.00 -0.48 -2.90 0.17 7.12 -1.87 -1.22 115.31 116.13 2qbk h LEU 49 Ca 0.02 -0.02 0.00 0.00 0.13 0.00 0.00 57.88 58.01 2qbk h LEU 49 Cb 0.50 0.12 -0.00 0.00 -0.53 0.00 0.00 40.66 40.76 2qbk h LEU 49 CO -0.00 -0.05 0.00 -2.24 -0.13 0.00 0.00 178.44 176.03 2qbk h ASP 50 N -1.12 0.00 0.40 1.25 2.03 -1.37 0.30 116.42 117.91 2qbk h ASP 50 Ca -0.06 0.00 -0.02 0.00 -0.73 0.00 0.00 57.03 56.22 2qbk h ASP 50 Cb 0.47 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.97 2qbk h ASP 50 CO 0.09 0.00 -0.19 0.78 -1.03 0.00 0.00 179.24 178.89 2qbk h ASN 51 N 0.00 -0.46 -0.36 4.15 -0.26 -0.73 0.12 115.58 118.04 2qbk h ASN 51 Ca 0.00 0.02 0.10 0.00 -0.56 0.00 0.00 56.30 55.86 2qbk h ASN 51 Cb 0.01 0.12 -0.01 0.00 -1.06 0.00 0.00 38.32 37.37 2qbk h ASN 51 CO -0.00 -0.19 0.26 0.00 -1.06 0.00 0.00 177.43 176.44 2qbk h ALA 52 N -1.48 2.33 -0.26 -0.83 0.00 -0.59 0.58 119.26 119.02 2qbk h ALA 52 Ca -0.06 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.84 2qbk h ALA 52 Cb 0.41 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.23 2qbk h ALA 52 CO 0.09 -0.44 0.00 0.00 0.00 0.00 0.00 179.25 178.90 2qbk n ALA 53 N -2.61 -0.39 -0.20 0.00 0.00 0.98 0.12 120.51 118.42 2qbk n ALA 53 Ca 0.06 0.00 0.18 0.00 0.00 0.00 0.00 53.44 53.68 2qbk n ALA 53 Cb 0.44 0.00 0.53 0.00 0.00 0.00 0.00 19.45 20.41 2qbk n ALA 53 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2qbk h ALA 54 N -2.00 2.22 -0.80 0.00 0.00 -0.43 0.56 119.26 118.81 2qbk h ALA 54 Ca 0.00 0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.88 2qbk h ALA 54 Cb 0.00 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 17.72 2qbk h ALA 54 CO 0.00 -0.47 0.37 -0.44 0.00 0.00 0.00 179.25 178.71 2qbk h ASP 55 N 0.37 1.05 0.40 0.00 5.19 0.29 -1.38 116.42 122.34 2qbk h ASP 55 Ca 0.42 -0.14 -0.17 0.00 -0.62 0.00 0.00 57.03 56.52 2qbk h ASP 55 Cb 1.07 -0.27 -0.01 0.00 0.18 0.00 0.00 39.33 40.30 2qbk h ASP 55 CO -0.14 0.90 -0.72 0.25 -3.12 0.00 0.00 179.24 176.41 2qbk h LEU 56 N 1.13 0.32 0.00 1.55 7.12 0.40 -2.39 115.31 123.44 2qbk h LEU 56 Ca 0.27 -0.22 0.00 0.00 0.13 0.00 0.00 57.88 58.07 2qbk h LEU 56 Cb 0.14 -0.10 0.00 0.00 -0.53 0.00 0.00 40.66 40.17 2qbk h LEU 56 CO -0.03 0.94 0.00 0.00 -0.13 0.00 0.00 178.44 179.22 2qbk n ALA 57 N -2.48 1.88 -0.11 1.25 0.00 0.14 -1.59 120.51 119.60 2qbk n ALA 57 Ca -0.03 -0.08 -0.24 0.00 0.00 0.00 0.00 53.44 53.10 2qbk n ALA 57 Cb 0.70 -1.24 -0.11 0.00 0.00 0.00 0.00 19.45 18.79 2qbk n ALA 57 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2qbk n ALA 58 N -1.24 0.88 0.24 0.00 0.00 -0.60 -4.13 120.51 115.65 2qbk n ALA 58 Ca 0.08 -0.62 0.08 0.00 0.00 0.00 0.00 53.44 52.98 2qbk n ALA 58 Cb 0.11 -0.42 0.59 0.00 0.00 0.00 0.00 19.45 19.73 2qbk n ALA 58 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 2qbk h ILE 59 N -0.98 0.91 -3.38 0.00 2.04 -1.40 -3.41 117.51 111.30 2qbk h ILE 59 Ca -0.43 -0.64 -0.45 0.00 1.00 0.00 0.00 64.86 64.34 2qbk h ILE 59 Cb 1.39 1.37 -0.35 0.00 -0.74 0.00 0.00 36.82 38.48 2qbk h ILE 59 CO -0.25 0.17 -0.78 -0.94 0.00 0.00 0.00 178.15 176.35 2qbk s SER 60 N -6.64 1.36 0.24 1.72 1.04 -0.62 -5.00 113.70 105.79 2qbk s SER 60 Ca -0.03 -0.17 0.19 0.00 0.48 0.00 0.00 55.95 56.41 2qbk s SER 60 Cb 0.15 -0.56 0.93 0.00 0.10 0.00 0.00 66.02 66.64 2qbk s SER 60 CO 0.65 -0.08 1.58 0.61 0.98 0.00 0.00 173.24 176.98 2qbk n GLY 61 N 4.34 -0.94 3.83 7.32 0.00 -1.26 -4.17 105.19 114.31 2qbk n GLY 61 Ca -0.20 0.13 -0.33 0.00 0.00 0.00 0.00 46.02 45.62 2qbk n GLY 61 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2qbk s GLN 62 N -3.38 4.11 -0.09 1.61 0.00 -1.26 -5.00 119.66 115.66 2qbk s GLN 62 Ca 0.00 0.93 -0.30 0.00 -0.00 0.00 0.00 55.36 56.00 2qbk s GLN 62 Cb 0.06 -2.26 -0.05 0.00 0.00 0.00 0.00 33.01 30.76 2qbk s GLN 62 CO 0.23 0.01 1.58 0.21 0.00 0.00 0.00 175.29 177.32 2qbk s LYS 63 N -3.22 4.16 0.60 9.60 2.20 -1.26 -4.61 119.74 127.21 2qbk s LYS 63 Ca 0.59 2.06 -0.20 0.00 -0.36 0.00 0.00 55.97 58.06 2qbk s LYS 63 Cb -0.10 -3.95 -0.03 0.00 -1.51 0.00 0.00 37.83 32.25 2qbk s LYS 63 CO 0.17 -0.85 1.31 -2.14 -0.36 0.00 0.00 175.35 173.48 2qbk s PRO 64 N 3.98 2.83 -0.55 4.03 0.02 -1.26 -4.94 135.00 139.11 2qbk s PRO 64 Ca 0.70 2.12 -0.14 0.00 0.02 0.00 0.00 61.00 63.70 2qbk s PRO 64 Cb -0.31 -2.02 0.13 0.00 0.02 0.00 0.00 34.50 32.33 2qbk s PRO 64 CO 0.27 -1.40 0.48 -1.17 -0.33 0.00 0.00 177.00 174.84 2qbk s LEU 65 N -4.00 6.08 -0.46 -5.54 2.96 -1.26 -4.98 118.68 111.49 2qbk s LEU 65 Ca 0.78 -1.91 -0.27 0.00 -0.22 0.00 0.00 54.13 52.50 2qbk s LEU 65 Cb -0.38 -2.15 -0.04 0.00 0.50 0.00 0.00 46.19 44.12 2qbk s LEU 65 CO 0.42 -0.78 2.11 -0.51 -1.32 0.00 0.00 176.35 176.27 2qbk s ILE 66 N 1.39 3.19 0.89 6.68 2.07 -1.26 -2.95 121.20 131.22 2qbk s ILE 66 Ca 0.05 0.15 -0.15 0.00 -1.41 0.00 0.00 60.65 59.29 2qbk s ILE 66 Cb -0.27 -3.41 0.23 0.00 0.13 0.00 0.00 42.46 39.14 2qbk s ILE 66 CO 0.01 -0.36 0.56 0.35 -1.91 0.00 0.00 174.94 173.59 2qbk n THR 67 N 7.62 0.00 -4.19 4.00 -2.24 0.12 -4.92 114.28 114.66 2qbk n THR 67 Ca 0.28 -0.04 -0.14 0.00 -2.27 0.00 0.00 64.05 61.88 2qbk n THR 67 Cb 0.51 -0.68 -0.08 0.00 -2.10 0.00 0.00 70.33 67.98 2qbk n THR 67 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 2qbk s LYS 68 N -4.32 1.51 0.59 -0.78 2.47 -1.26 -3.63 119.74 114.32 2qbk s LYS 68 Ca 0.42 -1.73 -0.11 0.00 -1.56 0.00 0.00 55.97 52.99 2qbk s LYS 68 Cb -0.07 0.33 -0.04 0.00 -1.46 0.00 0.00 37.83 36.59 2qbk s LYS 68 CO 0.35 -0.55 1.00 0.00 0.16 0.00 0.00 175.35 176.30 2qbk s ALA 69 N -3.77 3.13 0.00 3.13 0.00 0.54 -4.70 121.76 120.09 2qbk s ALA 69 Ca 0.37 -0.11 0.00 0.00 0.00 0.00 0.00 51.96 52.22 2qbk s ALA 69 Cb 0.04 -3.03 0.00 0.00 0.00 0.00 0.00 23.12 20.13 2qbk s ALA 69 CO 0.18 -0.60 0.00 -2.13 0.00 0.00 0.00 175.76 173.20 2qbk n ARG 70 N -2.57 0.00 0.23 0.00 0.63 -1.26 -4.58 116.66 109.11 2qbk n ARG 70 Ca 0.05 0.00 0.14 0.00 -0.92 0.00 0.00 57.85 57.12 2qbk n ARG 70 Cb 0.54 0.00 0.74 0.00 0.45 0.00 0.00 32.46 34.19 2qbk n ARG 70 CO 0.00 0.00 0.00 -0.22 -2.51 0.00 0.00 177.63 174.90 2qbk h LYS 71 N 0.00 0.00 0.00 -0.14 3.64 -1.97 -3.42 116.57 114.68 2qbk h LYS 71 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 2qbk h LYS 71 Cb 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.82 2qbk h LYS 71 CO 0.00 0.00 0.00 0.45 -2.27 0.00 0.00 179.45 177.63 2qbk n SER 72 N -2.51 0.00 -4.55 4.20 2.88 -1.26 -4.83 113.62 107.54 2qbk n SER 72 Ca -0.02 0.00 -0.53 0.00 -1.33 0.00 0.00 58.87 57.00 2qbk n SER 72 Cb 0.14 0.00 -0.06 0.00 -0.75 0.00 0.00 64.21 63.55 2qbk n SER 72 CO 0.00 0.00 0.00 0.52 -1.23 0.00 0.00 175.04 174.33 2qbk n VAL 73 N 0.00 0.38 -3.53 2.46 0.31 -1.26 -4.12 118.33 112.57 2qbk n VAL 73 Ca 0.00 -0.10 -0.18 0.00 -0.01 0.00 0.00 64.34 64.06 2qbk n VAL 73 Cb 0.00 -0.58 -0.06 0.00 -0.91 0.00 0.00 33.84 32.29 2qbk n VAL 73 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2qbk s ALA 74 N 0.08 -1.71 0.60 3.52 0.00 -1.21 -5.00 121.76 118.03 2qbk s ALA 74 Ca 0.81 1.24 0.30 0.00 0.00 0.00 0.00 51.96 54.32 2qbk s ALA 74 Cb -1.00 0.03 1.76 0.00 0.00 0.00 0.00 23.12 23.92 2qbk s ALA 74 CO 0.51 -0.38 2.15 0.78 0.00 0.00 0.00 175.76 178.83 2qbk h GLY 75 N 3.01 0.00 0.00 0.00 0.00 -2.00 -3.34 103.07 100.74 2qbk h GLY 75 Ca -0.27 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.06 2qbk h GLY 75 CO 0.39 0.00 0.00 0.69 0.00 0.00 0.00 176.54 177.62 2qbk n PHE 76 N -3.72 0.00 0.00 5.60 3.72 -1.26 -5.11 117.46 116.69 2qbk n PHE 76 Ca -0.00 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.40 2qbk n PHE 76 Cb 0.24 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.78 2qbk n PHE 76 CO 0.00 0.00 0.00 1.17 -0.05 0.00 0.00 176.76 177.88 2qbk n LYS 77 N 0.00 0.00 -1.43 -1.08 3.00 -1.25 -5.16 118.16 112.23 2qbk n LYS 77 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.31 2qbk n LYS 77 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.03 2qbk n LYS 77 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.40 176.51 2qbk n ILE 78 N 0.00 -4.80 -3.66 3.15 -0.00 -1.26 -3.32 119.36 109.47 2qbk n ILE 78 Ca 0.00 2.11 -0.11 0.00 -0.00 0.00 0.00 62.75 64.75 2qbk n ILE 78 Cb 0.00 -2.92 -0.11 0.00 -0.00 0.00 0.00 39.64 36.61 2qbk n ILE 78 CO 0.00 0.00 0.00 -0.13 -0.00 0.00 0.00 176.55 176.42 2qbk s ARG 79 N -3.48 0.23 0.00 0.38 0.52 -1.26 -4.34 118.95 111.01 2qbk s ARG 79 Ca 0.00 0.89 0.00 0.00 -0.52 0.00 0.00 55.73 56.10 2qbk s ARG 79 Cb 0.00 0.15 0.00 0.00 0.52 0.00 0.00 34.95 35.62 2qbk s ARG 79 CO 0.00 -0.27 0.00 0.94 0.02 0.00 0.00 175.30 175.99 2qbk n GLN 80 N 5.36 0.00 0.00 3.54 -0.06 -1.26 -0.87 117.38 124.09 2qbk n GLN 80 Ca -0.07 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 54.93 2qbk n GLN 80 Cb 0.50 0.00 0.00 0.00 -4.06 0.00 0.00 30.24 26.68 2qbk n GLN 80 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 2qbk n GLY 81 N 0.00 -2.58 3.02 1.69 0.00 -1.26 -3.16 105.19 102.90 2qbk n GLY 81 Ca 0.00 0.17 0.00 0.00 0.00 0.00 0.00 46.02 46.19 2qbk n GLY 81 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 2qbk n TYR 82 N -0.40 0.00 -1.64 1.61 4.19 -0.05 0.20 117.16 121.07 2qbk n TYR 82 Ca 0.00 0.00 -0.37 0.00 3.31 0.00 0.00 57.90 60.84 2qbk n TYR 82 Cb 0.00 -0.94 0.08 0.00 0.49 0.00 0.00 39.34 38.97 2qbk n TYR 82 CO 0.00 0.00 0.00 -2.30 0.91 0.00 0.00 176.86 175.47 2qbk n PRO 83 N 1.34 0.98 0.00 2.98 -0.02 -1.26 -0.60 135.00 138.43 2qbk n PRO 83 Ca 0.00 0.40 0.00 0.00 -2.02 0.00 0.00 63.50 61.88 2qbk n PRO 83 Cb 0.43 -2.51 0.00 0.00 -0.02 0.00 0.00 33.50 31.40 2qbk n PRO 83 CO 0.00 0.00 0.00 -0.89 1.98 0.00 0.00 175.50 176.59 2qbk n ILE 84 N -2.10 0.00 -2.02 4.25 5.41 -1.24 -4.69 119.36 118.97 2qbk n ILE 84 Ca 0.16 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.91 2qbk n ILE 84 Cb 0.48 -0.49 0.00 0.00 -0.71 0.00 0.00 39.64 38.92 2qbk n ILE 84 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 2qbk n GLY 85 N 1.63 4.61 3.10 7.39 0.00 -1.26 0.16 105.19 120.81 2qbk n GLY 85 Ca 0.00 -1.01 -0.01 0.00 0.00 0.00 0.00 46.02 45.00 2qbk n GLY 85 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qbk n LYS 87 N 4.15 0.00 -2.31 0.00 2.85 -1.08 -4.18 118.16 117.59 2qbk n LYS 87 Ca 0.12 0.22 -0.02 0.00 -1.05 0.00 0.00 58.31 57.59 2qbk n LYS 87 Cb 0.56 -0.87 0.00 0.00 -0.65 0.00 0.00 35.03 34.08 2qbk n LYS 87 CO 0.00 0.00 0.00 0.28 -0.05 0.00 0.00 177.40 177.63 2qbk n VAL 88 N -0.59 -6.39 -0.56 0.58 0.31 -1.25 -2.71 118.33 107.73 2qbk n VAL 88 Ca 0.00 0.10 -0.31 0.00 -0.01 0.00 0.00 64.34 64.12 2qbk n VAL 88 Cb 0.00 -5.54 0.28 0.00 -0.91 0.00 0.00 33.84 27.67 2qbk n VAL 88 CO 0.00 0.00 0.00 0.42 -1.32 0.00 0.00 176.83 175.93 2qbk s THR 89 N -2.59 1.25 0.27 2.52 -4.23 -0.33 -4.29 115.64 108.24 2qbk s THR 89 Ca 0.05 0.00 0.10 0.00 -1.18 0.00 0.00 61.69 60.66 2qbk s THR 89 Cb -0.01 -2.19 -0.04 0.00 1.34 0.00 0.00 72.50 71.59 2qbk s THR 89 CO 0.41 0.00 -0.00 -0.76 -0.54 0.00 0.00 174.62 173.73 2qbk s LEU 90 N -7.66 3.18 -0.17 4.79 2.01 0.32 -4.86 118.68 116.30 2qbk s LEU 90 Ca 0.70 -0.67 -0.01 0.00 0.01 0.00 0.00 54.13 54.16 2qbk s LEU 90 Cb -0.11 -1.69 0.05 0.00 0.01 0.00 0.00 46.19 44.44 2qbk s LEU 90 CO 0.57 -0.02 -0.02 0.00 1.01 0.00 0.00 176.35 177.89 2qbk s ARG 91 N -3.68 1.14 0.00 1.70 3.03 -1.26 -4.25 118.95 115.63 2qbk s ARG 91 Ca 0.32 -0.46 0.00 0.00 2.03 0.00 0.00 55.73 57.62 2qbk s ARG 91 Cb -0.06 -1.96 0.00 0.00 -1.03 0.00 0.00 34.95 31.90 2qbk s ARG 91 CO 0.20 -0.49 0.00 0.41 -1.13 0.00 0.00 175.30 174.29 2qbk n GLY 92 N 4.94 0.03 0.00 3.88 0.00 -1.26 -1.22 105.19 111.56 2qbk n GLY 92 Ca -0.11 0.01 0.00 0.00 0.00 0.00 0.00 46.02 45.92 2qbk n GLY 92 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2qbk n GLU 93 N 0.00 0.00 0.03 1.61 -0.58 -1.26 0.17 120.64 120.61 2qbk n GLU 93 Ca 0.00 0.66 0.21 0.00 -0.42 0.00 0.00 57.16 57.60 2qbk n GLU 93 Cb 0.00 -1.34 0.72 0.00 -0.57 0.00 0.00 31.44 30.26 2qbk n GLU 93 CO 0.00 0.00 0.00 -0.09 -0.48 0.00 0.00 177.13 176.56 2qbk h ARG 94 N 0.00 0.00 0.15 3.49 9.65 -1.58 0.76 114.38 126.85 2qbk h ARG 94 Ca 0.00 0.00 -0.01 0.00 -1.10 0.00 0.00 59.98 58.87 2qbk h ARG 94 Cb 0.00 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 28.58 2qbk h ARG 94 CO 0.00 0.00 -0.07 1.98 2.80 0.00 0.00 179.97 184.68 2qbk h MET 95 N 0.00 -0.19 -0.74 0.20 4.05 0.27 0.11 114.93 118.63 2qbk h MET 95 Ca 0.23 0.01 0.10 0.00 -0.28 0.00 0.00 59.70 59.77 2qbk h MET 95 Cb 1.02 0.04 -0.05 0.00 -0.80 0.00 0.00 31.60 31.82 2qbk h MET 95 CO -0.00 -0.13 0.49 -1.49 0.23 0.00 0.00 176.91 176.01 2qbk h TRP 96 N -0.27 0.65 -0.56 1.39 6.55 0.20 1.28 115.95 125.19 2qbk h TRP 96 Ca -0.02 0.02 -0.06 0.00 0.95 0.00 0.00 58.89 59.78 2qbk h TRP 96 Cb 0.15 -0.21 -0.02 0.00 -0.86 0.00 0.00 29.16 28.22 2qbk h TRP 96 CO 0.12 0.30 0.11 1.49 -1.05 0.00 0.00 178.44 179.41 2qbk h GLU 97 N 0.60 0.87 -0.16 0.49 4.22 -0.88 0.74 114.58 120.46 2qbk h GLU 97 Ca 0.34 -0.19 -0.19 0.00 0.08 0.00 0.00 59.36 59.41 2qbk h GLU 97 Cb 0.53 -0.12 0.01 0.00 0.50 0.00 0.00 28.75 29.66 2qbk h GLU 97 CO -0.12 0.80 -0.62 0.35 -2.18 0.00 0.00 179.01 177.23 2qbk h PHE 98 N 0.83 0.94 0.00 0.92 3.57 0.24 0.45 116.94 123.89 2qbk h PHE 98 Ca 0.18 -0.40 0.00 0.00 3.53 0.00 0.00 57.97 61.28 2qbk h PHE 98 Cb 0.34 -0.15 0.00 0.00 2.79 0.00 0.00 35.95 38.93 2qbk h PHE 98 CO 0.02 1.21 0.00 0.34 -2.23 0.00 0.00 178.31 177.65 2qbk n PHE 99 N -4.07 0.16 -0.12 0.41 7.35 0.40 -0.83 117.46 120.76 2qbk n PHE 99 Ca -0.07 0.08 -0.22 0.00 -0.76 0.00 0.00 57.45 56.48 2qbk n PHE 99 Cb 0.66 -0.62 -0.08 0.00 0.35 0.00 0.00 39.48 39.79 2qbk n PHE 99 CO 0.00 0.00 0.00 -1.91 -0.76 0.00 0.00 176.76 174.09 2qbk n GLU 100 N -1.66 0.56 -0.33 -4.13 4.07 0.18 -4.35 120.64 114.99 2qbk n GLU 100 Ca 0.01 0.29 0.20 0.00 -0.06 0.00 0.00 57.16 57.60 2qbk n GLU 100 Cb 0.05 -1.51 0.41 0.00 -0.06 0.00 0.00 31.44 30.33 2qbk n GLU 100 CO 0.00 0.00 0.00 -0.09 -0.06 0.00 0.00 177.13 176.98 2qbk h ARG 101 N -1.00 0.35 -6.46 5.31 2.43 0.84 -3.09 114.38 112.75 2qbk h ARG 101 Ca -0.43 -0.02 -0.43 0.00 -0.81 0.00 0.00 59.98 58.29 2qbk h ARG 101 Cb 1.35 -0.08 0.02 0.00 -0.42 0.00 0.00 29.97 30.84 2qbk h ARG 101 CO -0.26 0.23 -0.25 -0.48 -1.51 0.00 0.00 179.97 177.70 2qbk s LEU 102 N -10.46 3.70 0.00 3.80 -0.00 -0.01 -2.28 118.68 113.43 2qbk s LEU 102 Ca -0.11 -0.28 0.00 0.00 -0.00 0.00 0.00 54.13 53.75 2qbk s LEU 102 Cb 0.28 -2.73 0.00 0.00 -0.00 0.00 0.00 46.19 43.74 2qbk s LEU 102 CO 0.79 -0.71 0.00 0.00 -0.00 0.00 0.00 176.35 176.43 2qbk n ILE 103 N -1.86 0.00 0.25 1.48 3.06 -1.26 -4.27 119.36 116.76 2qbk n ILE 103 Ca 0.05 0.00 0.03 0.00 -2.50 0.00 0.00 62.75 60.33 2qbk n ILE 103 Cb 0.59 0.00 -0.02 0.00 0.54 0.00 0.00 39.64 40.75 2qbk n ILE 103 CO 0.00 0.00 0.00 0.41 -2.50 0.00 0.00 176.55 174.46 2qbk n THR 104 N 0.00 0.00 0.00 9.51 -1.04 -1.17 -4.54 114.28 117.04 2qbk n THR 104 Ca 0.00 -0.40 0.00 0.00 -2.04 0.00 0.00 64.05 61.61 2qbk n THR 104 Cb 0.00 1.02 0.00 0.00 -1.82 0.00 0.00 70.33 69.53 2qbk n THR 104 CO 0.00 0.00 0.00 -0.38 -0.64 0.00 0.00 175.07 174.05 2qbk n ILE 105 N -0.88 0.00 0.01 12.58 5.41 -1.07 -4.80 119.36 130.60 2qbk n ILE 105 Ca 0.01 0.00 -0.00 0.00 1.00 0.00 0.00 62.75 63.76 2qbk n ILE 105 Cb 0.09 0.00 -0.00 0.00 -0.71 0.00 0.00 39.64 39.02 2qbk n ILE 105 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2qbk h ALA 106 N 0.00 -0.29 -1.01 -1.39 0.00 -1.72 -0.68 119.26 114.17 2qbk h ALA 106 Ca 0.00 -0.01 0.23 0.00 0.00 0.00 0.00 54.91 55.13 2qbk h ALA 106 Cb 0.00 0.01 -0.12 0.00 0.00 0.00 0.00 17.79 17.68 2qbk h ALA 106 CO 0.00 -0.29 0.61 0.28 0.00 0.00 0.00 179.25 179.85 2qbk h VAL 107 N -0.07 0.60 -0.88 0.00 2.07 -1.88 0.40 116.25 116.49 2qbk h VAL 107 Ca -0.00 -0.22 -0.02 0.00 0.82 0.00 0.00 66.70 67.29 2qbk h VAL 107 Cb 0.02 -0.09 -0.04 0.00 -1.52 0.00 0.00 31.29 29.66 2qbk h VAL 107 CO 0.00 0.12 0.49 -0.65 0.02 0.00 0.00 177.57 177.55 2qbk h PRO 108 N 0.63 1.23 -3.58 1.57 0.11 -1.80 -3.01 132.00 127.15 2qbk h PRO 108 Ca 0.62 -0.14 -0.64 0.00 0.11 0.00 0.00 66.00 65.95 2qbk h PRO 108 Cb 1.13 -0.24 0.01 0.00 0.11 0.00 0.00 31.00 32.00 2qbk h PRO 108 CO -0.43 0.89 3.26 -2.13 -0.21 0.00 0.00 178.00 179.38 2qbk n ARG 109 N -4.36 2.92 -0.04 1.05 0.00 0.14 -4.90 116.66 111.48 2qbk n ARG 109 Ca 0.09 -2.19 -0.02 0.00 -0.00 0.00 0.00 57.85 55.73 2qbk n ARG 109 Cb 0.09 -2.93 0.02 0.00 0.00 0.00 0.00 32.46 29.64 2qbk n ARG 109 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.63 178.07 2qbk n ILE 110 N 4.48 0.00 0.00 5.15 -5.35 -1.14 -4.82 119.36 117.68 2qbk n ILE 110 Ca 0.61 -0.02 0.00 0.00 -0.27 0.00 0.00 62.75 63.08 2qbk n ILE 110 Cb 0.29 -0.48 0.00 0.00 -1.74 0.00 0.00 39.64 37.71 2qbk n ILE 110 CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33 2qbk n ARG 111 N -2.07 2.38 0.00 6.28 3.00 -1.26 -4.89 116.66 120.10 2qbk n ARG 111 Ca 0.01 0.00 0.00 0.00 -0.01 0.00 0.00 57.85 57.85 2qbk n ARG 111 Cb 0.05 -0.73 0.00 0.00 0.00 0.00 0.00 32.46 31.78 2qbk n ARG 111 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.63 174.16 2qbk n ASP 112 N -1.00 0.00 -3.50 0.55 2.03 -1.26 -5.13 116.55 108.24 2qbk n ASP 112 Ca 0.00 0.00 -0.49 0.00 0.52 0.00 0.00 54.79 54.82 2qbk n ASP 112 Cb 0.14 0.00 -0.07 0.00 -0.72 0.00 0.00 41.12 40.47 2qbk n ASP 112 CO 0.00 0.00 0.00 0.33 -1.92 0.00 0.00 177.20 175.61 2qbk n PHE 113 N 0.00 1.00 -2.79 -0.67 7.35 -1.26 -4.86 117.46 116.23 2qbk n PHE 113 Ca 0.00 0.84 -0.01 0.00 -0.76 0.00 0.00 57.45 57.52 2qbk n PHE 113 Cb 0.00 -1.64 0.07 0.00 0.35 0.00 0.00 39.48 38.26 2qbk n PHE 113 CO 0.00 0.00 0.00 -2.13 -0.76 0.00 0.00 176.76 173.87 2qbk n ARG 114 N 2.29 1.60 0.00 -4.13 3.00 -1.26 -5.06 116.66 113.10 2qbk n ARG 114 Ca 0.20 -3.00 0.00 0.00 -0.00 0.00 0.00 57.85 55.05 2qbk n ARG 114 Cb -0.00 -1.14 0.00 0.00 0.00 0.00 0.00 32.46 31.31 2qbk n ARG 114 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 2qbk n GLY 115 N -0.74 4.05 3.78 5.14 0.00 -1.26 -5.07 105.19 111.09 2qbk n GLY 115 Ca 0.02 -1.09 -0.35 0.00 0.00 0.00 0.00 46.02 44.60 2qbk n GLY 115 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2qbk s LEU 116 N 0.00 3.97 0.58 0.99 2.96 0.01 -4.87 118.68 122.33 2qbk s LEU 116 Ca 0.00 0.26 -0.20 0.00 -0.22 0.00 0.00 54.13 53.97 2qbk s LEU 116 Cb 0.00 -2.06 -0.04 0.00 0.50 0.00 0.00 46.19 44.59 2qbk s LEU 116 CO 0.00 0.35 1.28 -0.24 -1.32 0.00 0.00 176.35 176.42 2qbk n SER 117 N 1.77 2.20 -0.32 3.68 2.88 -1.26 -0.16 113.62 122.41 2qbk n SER 117 Ca -0.17 0.91 0.03 0.00 -1.33 0.00 0.00 58.87 58.30 2qbk n SER 117 Cb 0.54 -1.54 0.07 0.00 -0.75 0.00 0.00 64.21 62.53 2qbk n SER 117 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2qbk n ALA 118 N -1.41 2.13 -1.09 -1.46 0.00 -1.26 -4.49 120.51 112.93 2qbk n ALA 118 Ca 0.13 -1.02 0.10 0.00 0.00 0.00 0.00 53.44 52.64 2qbk n ALA 118 Cb 0.46 -0.22 0.14 0.00 0.00 0.00 0.00 19.45 19.82 2qbk n ALA 118 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2qbk n LYS 119 N 0.05 1.25 0.00 0.00 5.02 -1.26 -4.63 118.16 118.59 2qbk n LYS 119 Ca 0.06 -2.53 0.11 0.00 -2.02 0.00 0.00 58.31 53.93 2qbk n LYS 119 Cb 0.32 -1.47 0.63 0.00 -0.02 0.00 0.00 35.03 34.49 2qbk n LYS 119 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 2qbk n SER 120 N -1.40 0.00 -4.57 4.39 3.41 -1.26 -4.82 113.62 109.38 2qbk n SER 120 Ca 0.15 -0.44 -0.28 0.00 -0.26 0.00 0.00 58.87 58.04 2qbk n SER 120 Cb 0.64 -0.11 0.21 0.00 -0.26 0.00 0.00 64.21 64.68 2qbk n SER 120 CO 0.00 0.00 0.00 0.72 -0.16 0.00 0.00 175.04 175.60 2qbk s PHE 121 N -2.22 1.76 -0.09 7.33 -0.00 -1.26 -1.76 117.98 121.74 2qbk s PHE 121 Ca 0.29 0.98 -0.09 0.00 -0.00 0.00 0.00 56.93 58.11 2qbk s PHE 121 Cb 0.15 -3.23 -0.03 0.00 -0.00 0.00 0.00 43.02 39.91 2qbk s PHE 121 CO 0.29 -3.30 -0.18 -0.25 -0.00 0.00 0.00 175.22 171.78 2qbk n ASP 122 N -4.47 0.99 0.00 1.98 10.43 -0.79 -4.84 116.55 119.86 2qbk n ASP 122 Ca 0.05 0.17 0.00 0.00 2.57 0.00 0.00 54.79 57.58 2qbk n ASP 122 Cb 0.57 -0.62 0.00 0.00 1.84 0.00 0.00 41.12 42.91 2qbk n ASP 122 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 2qbk n GLY 123 N 1.48 0.00 0.03 0.44 0.00 -1.26 -4.95 105.19 100.93 2qbk n GLY 123 Ca -0.07 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.06 2qbk n GLY 123 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2qbk n ARG 124 N 0.00 0.19 0.00 1.61 3.00 -1.26 -3.33 116.66 116.87 2qbk n ARG 124 Ca 0.00 0.02 0.00 0.00 -0.00 0.00 0.00 57.85 57.87 2qbk n ARG 124 Cb 0.00 -1.58 0.00 0.00 0.00 0.00 0.00 32.46 30.88 2qbk n ARG 124 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 2qbk n GLY 125 N 1.41 1.78 3.85 5.14 0.00 -1.26 -2.14 105.19 113.97 2qbk n GLY 125 Ca 0.03 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.74 2qbk n GLY 125 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2qbk s ASN 126 N -1.78 5.84 0.13 1.61 -0.87 -1.26 -4.23 114.94 114.39 2qbk s ASN 126 Ca 0.00 1.49 0.07 0.00 -1.57 0.00 0.00 52.86 52.85 2qbk s ASN 126 Cb 0.00 -2.46 -0.04 0.00 -0.02 0.00 0.00 41.25 38.73 2qbk s ASN 126 CO 0.00 -1.13 -0.17 -0.31 -2.57 0.00 0.00 177.10 172.92 2qbk s TYR 127 N -3.13 1.61 -0.23 2.20 1.51 -1.26 -1.89 117.35 116.16 2qbk s TYR 127 Ca 0.56 -0.49 -0.06 0.00 -1.01 0.00 0.00 57.07 56.07 2qbk s TYR 127 Cb -0.12 -0.84 0.11 0.00 -0.11 0.00 0.00 41.96 41.00 2qbk s TYR 127 CO 0.54 0.22 0.47 -1.54 -1.11 0.00 0.00 175.55 174.13 2qbk s SER 128 N -2.40 -0.43 -0.16 2.29 1.04 -0.72 -0.64 113.70 112.68 2qbk s SER 128 Ca 0.10 0.97 -0.04 0.00 0.48 0.00 0.00 55.95 57.46 2qbk s SER 128 Cb -0.06 1.55 0.07 0.00 0.10 0.00 0.00 66.02 67.67 2qbk s SER 128 CO 0.05 -0.24 0.13 0.00 0.98 0.00 0.00 173.24 174.15 2qbk s MET 129 N 2.67 0.08 0.15 4.02 0.23 -0.85 -4.65 119.30 120.95 2qbk s MET 129 Ca 0.01 0.07 -0.31 0.00 -1.03 0.00 0.00 55.69 54.43 2qbk s MET 129 Cb -0.13 -1.47 -0.10 0.00 -1.53 0.00 0.00 34.83 31.60 2qbk s MET 129 CO -0.15 -0.62 1.59 0.20 -2.03 0.00 0.00 175.02 174.01 2qbk s GLY 130 N 2.20 1.56 0.00 3.16 0.00 -1.26 -3.94 107.32 109.04 2qbk s GLY 130 Ca 0.04 1.34 0.00 0.00 0.00 0.00 0.00 44.72 46.10 2qbk s GLY 130 CO -0.09 2.69 0.95 3.33 0.00 0.00 0.00 173.10 179.97 2qbk n VAL 131 N 4.12 1.80 0.00 1.40 0.24 -0.99 -4.77 118.33 120.13 2qbk n VAL 131 Ca 0.14 0.47 0.00 0.00 -2.04 0.00 0.00 64.34 62.91 2qbk n VAL 131 Cb 0.39 -1.47 0.00 0.00 -1.47 0.00 0.00 33.84 31.29 2qbk n VAL 131 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 2qbk n ARG 132 N -1.45 0.00 0.00 7.34 5.12 -1.26 -4.72 116.66 121.70 2qbk n ARG 132 Ca 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.92 2qbk n ARG 132 Cb 0.02 -3.19 0.00 0.00 -1.16 0.00 0.00 32.46 28.12 2qbk n ARG 132 CO 0.00 0.00 0.00 -1.91 -1.93 0.00 0.00 177.63 173.79 2qbk n GLU 133 N -1.96 0.00 -1.56 5.56 0.00 -1.26 -4.86 120.64 116.56 2qbk n GLU 133 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 57.16 56.74 2qbk n GLU 133 Cb 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 31.44 31.40 2qbk n GLU 133 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.13 178.07 2qbk n GLN 134 N -0.01 1.48 0.00 5.31 0.00 -1.26 -4.74 117.38 118.16 2qbk n GLN 134 Ca 0.00 0.31 0.00 0.00 -0.00 0.00 0.00 57.00 57.31 2qbk n GLN 134 Cb 0.00 -3.16 0.00 0.00 0.00 0.00 0.00 30.24 27.08 2qbk n GLN 134 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.06 177.50 2qbk n ILE 135 N 7.77 0.00 -1.19 1.69 -6.64 -1.26 -4.62 119.36 115.10 2qbk n ILE 135 Ca 0.35 0.00 -0.07 0.00 -1.77 0.00 0.00 62.75 61.26 2qbk n ILE 135 Cb 0.44 -0.51 -0.03 0.00 -1.44 0.00 0.00 39.64 38.10 2qbk n ILE 135 CO 0.00 0.00 0.00 -0.38 -1.77 0.00 0.00 176.55 174.40 2qbk n ILE 136 N -0.36 0.00 -0.87 7.28 2.08 -1.26 -4.96 119.36 121.27 2qbk n ILE 136 Ca 0.00 0.00 -0.35 0.00 0.56 0.00 0.00 62.75 62.96 2qbk n ILE 136 Cb 0.00 -1.10 0.09 0.00 -0.75 0.00 0.00 39.64 37.89 2qbk n ILE 136 CO 0.00 0.00 0.00 2.22 0.56 0.00 0.00 176.55 179.33 2qbk n PHE 137 N -2.41 -2.57 0.00 1.39 -0.00 -1.26 -4.00 117.46 108.61 2qbk n PHE 137 Ca -0.07 0.21 0.00 0.00 -0.00 0.00 0.00 57.45 57.59 2qbk n PHE 137 Cb 0.42 -1.56 0.00 0.00 -0.00 0.00 0.00 39.48 38.34 2qbk n PHE 137 CO 0.00 0.00 0.00 -2.30 -0.00 0.00 0.00 176.76 174.46 2qbk n PRO 138 N 0.21 0.00 -3.29 3.97 -0.02 -1.26 -4.82 135.00 129.79 2qbk n PRO 138 Ca 0.01 0.00 -0.21 0.00 -2.02 0.00 0.00 63.50 61.29 2qbk n PRO 138 Cb 0.60 0.00 0.01 0.00 -0.02 0.00 0.00 33.50 34.09 2qbk n PRO 138 CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57 2qbk n GLU 139 N 0.00 0.81 -2.55 -0.52 0.00 -1.26 -4.56 120.64 112.56 2qbk n GLU 139 Ca 0.00 -2.77 -0.43 0.00 0.00 0.00 0.00 57.16 53.96 2qbk n GLU 139 Cb 0.00 0.23 -0.02 0.00 0.00 0.00 0.00 31.44 31.65 2qbk n GLU 139 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.13 177.55 2qbk s ILE 140 N -2.19 4.06 -0.44 6.31 1.01 -1.26 -4.20 121.20 124.49 2qbk s ILE 140 Ca 0.29 1.02 -0.30 0.00 0.00 0.00 0.00 60.65 61.66 2qbk s ILE 140 Cb -0.02 -4.61 0.04 0.00 0.01 0.00 0.00 42.46 37.88 2qbk s ILE 140 CO 0.18 -1.14 0.64 0.47 0.00 0.00 0.00 174.94 175.09 2qbk n ASP 141 N 8.33 -6.49 -0.04 3.58 8.00 -1.26 -4.01 116.55 124.66 2qbk n ASP 141 Ca 0.11 0.12 0.18 0.00 0.71 0.00 0.00 54.79 55.91 2qbk n ASP 141 Cb 0.49 -3.17 0.28 0.00 -0.02 0.00 0.00 41.12 38.70 2qbk n ASP 141 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 2qbk n TYR 142 N -0.25 0.00 -0.10 1.24 4.02 -1.26 0.15 117.16 120.96 2qbk n TYR 142 Ca -0.00 0.00 -0.15 0.00 -0.01 0.00 0.00 57.90 57.74 2qbk n TYR 142 Cb 0.60 -0.17 -0.14 0.00 -0.02 0.00 0.00 39.34 39.61 2qbk n TYR 142 CO 0.00 0.00 0.00 -0.40 -1.01 0.00 0.00 176.86 175.45 2qbk n ASP 143 N -2.95 1.16 -2.57 7.72 5.75 -1.26 -4.36 116.55 120.04 2qbk n ASP 143 Ca 0.15 -0.03 -0.31 0.00 -0.01 0.00 0.00 54.79 54.59 2qbk n ASP 143 Cb 1.33 0.12 -0.00 0.00 -1.03 0.00 0.00 41.12 41.54 2qbk n ASP 143 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 2qbk n LYS 144 N -3.07 2.50 0.00 0.11 5.02 0.40 -4.91 118.16 118.21 2qbk n LYS 144 Ca -0.38 -2.79 0.00 0.00 -2.02 0.00 0.00 58.31 53.12 2qbk n LYS 144 Cb 1.06 -2.15 0.00 0.00 -0.02 0.00 0.00 35.03 33.92 2qbk n LYS 144 CO 0.00 0.00 0.00 1.33 -0.52 0.00 0.00 177.40 178.21 2qbk n VAL 145 N 0.15 0.00 -4.21 -0.18 0.24 -0.85 -4.69 118.33 108.79 2qbk n VAL 145 Ca 0.50 0.00 -0.28 0.00 -2.04 0.00 0.00 64.34 62.52 2qbk n VAL 145 Cb 0.45 -0.48 -0.09 0.00 -1.47 0.00 0.00 33.84 32.25 2qbk n VAL 145 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 2qbk s ASP 146 N -0.80 4.64 -0.30 -1.34 3.68 -1.26 -5.06 116.67 116.24 2qbk s ASP 146 Ca 0.00 -0.38 -0.40 0.00 2.13 0.00 0.00 52.55 53.91 2qbk s ASP 146 Cb 0.00 -0.96 -0.15 0.00 -1.45 0.00 0.00 42.92 40.36 2qbk s ASP 146 CO 0.00 0.13 1.83 -1.14 0.13 0.00 0.00 175.17 176.12 2qbk n ARG 147 N 0.27 1.12 0.00 4.34 0.00 -1.26 -4.73 116.66 116.39 2qbk n ARG 147 Ca -0.11 0.40 0.00 0.00 -0.00 0.00 0.00 57.85 58.13 2qbk n ARG 147 Cb 0.54 -2.14 0.00 0.00 0.00 0.00 0.00 32.46 30.86 2qbk n ARG 147 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.63 178.96 2qbk n VAL 148 N 5.06 0.00 0.00 5.15 0.24 -1.26 -5.02 118.33 122.50 2qbk n VAL 148 Ca 0.30 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.60 2qbk n VAL 148 Cb 0.14 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.51 2qbk n VAL 148 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 2qbk n ARG 149 N 0.00 0.00 -0.62 7.34 5.12 -1.26 -5.02 116.66 122.22 2qbk n ARG 149 Ca 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.92 2qbk n ARG 149 Cb 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.30 2qbk n ARG 149 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2qbk n GLY 150 N -0.03 -3.82 2.80 -0.13 0.00 -1.26 -4.78 105.19 97.97 2qbk n GLY 150 Ca 0.00 -0.85 -0.09 0.00 0.00 0.00 0.00 46.02 45.08 2qbk n GLY 150 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 2qbk n LEU 151 N -0.39 0.00 -4.29 0.99 -0.00 -1.26 -4.74 117.00 107.31 2qbk n LEU 151 Ca 0.00 -2.13 -0.22 0.00 -0.00 0.00 0.00 56.01 53.66 2qbk n LEU 151 Cb 0.00 2.51 -0.12 0.00 -0.00 0.00 0.00 43.42 45.82 2qbk n LEU 151 CO 0.00 -0.60 -0.50 -1.81 -0.00 0.00 0.00 177.39 174.49 2qbk s ASP 152 N -2.66 2.49 -0.05 1.45 -0.00 -1.26 -2.35 116.67 114.29 2qbk s ASP 152 Ca 0.17 -0.75 -0.02 0.00 -0.00 0.00 0.00 52.55 51.96 2qbk s ASP 152 Cb -0.02 -0.13 0.03 0.00 -0.00 0.00 0.00 42.92 42.80 2qbk s ASP 152 CO 0.13 0.00 0.08 -0.63 -0.00 0.00 0.00 175.17 174.75 2qbk s ILE 153 N -1.55 -0.09 -0.24 0.77 1.01 -1.25 -1.59 121.20 118.25 2qbk s ILE 153 Ca 0.09 0.27 0.02 0.00 0.00 0.00 0.00 60.65 61.03 2qbk s ILE 153 Cb -0.08 -0.17 0.05 0.00 0.01 0.00 0.00 42.46 42.27 2qbk s ILE 153 CO 0.05 0.11 -0.13 -0.89 0.00 0.00 0.00 174.94 174.08 2qbk s THR 154 N 1.49 2.22 0.06 2.92 2.01 -1.26 -2.00 115.64 121.08 2qbk s THR 154 Ca -0.05 -1.41 -0.33 0.00 0.31 0.00 0.00 61.69 60.22 2qbk s THR 154 Cb -0.12 -2.20 -0.19 0.00 0.01 0.00 0.00 72.50 70.00 2qbk s THR 154 CO -0.04 0.13 1.55 0.40 -0.69 0.00 0.00 174.62 175.96 2qbk h ILE 155 N 6.50 0.28 -4.93 1.82 5.03 -1.16 -2.14 117.51 122.91 2qbk h ILE 155 Ca -0.27 -0.07 0.00 0.00 -0.12 0.00 0.00 64.86 64.41 2qbk h ILE 155 Cb 1.07 0.30 -0.05 0.00 -3.03 0.00 0.00 36.82 35.12 2qbk h ILE 155 CO 0.52 0.01 -1.14 0.41 -0.68 0.00 0.00 178.15 177.26 2qbk n THR 156 N -5.48-11.73 -4.05 -0.27 -1.04 -1.20 -4.03 114.28 86.48 2qbk n THR 156 Ca -0.14 2.06 -0.23 0.00 -2.04 0.00 0.00 64.05 63.70 2qbk n THR 156 Cb 0.39 -6.61 -0.04 0.00 -1.82 0.00 0.00 70.33 62.25 2qbk n THR 156 CO 0.00 0.00 0.00 0.28 -0.64 0.00 0.00 175.07 174.71 2qbk s THR 157 N -1.19 4.75 -0.91 12.58 -1.32 -1.26 -2.98 115.64 125.30 2qbk s THR 157 Ca -0.10 -1.15 0.00 0.00 -1.21 0.00 0.00 61.69 59.23 2qbk s THR 157 Cb 0.01 -3.52 0.00 0.00 -1.51 0.00 0.00 72.50 67.47 2qbk s THR 157 CO 0.74 -0.26 0.43 0.35 -2.21 0.00 0.00 174.62 173.67 2qbk n THR 158 N -0.96 0.07 -2.04 5.08 -2.24 -1.18 -4.31 114.28 108.69 2qbk n THR 158 Ca -0.08 0.00 -0.33 0.00 -2.27 0.00 0.00 64.05 61.37 2qbk n THR 158 Cb 0.56 -0.44 0.02 0.00 -2.10 0.00 0.00 70.33 68.37 2qbk n THR 158 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2qbk s ALA 159 N -0.89 2.66 -0.14 6.98 0.00 -1.26 -4.79 121.76 124.31 2qbk s ALA 159 Ca 0.00 0.54 0.19 0.00 0.00 0.00 0.00 51.96 52.70 2qbk s ALA 159 Cb 0.00 -3.29 -0.15 0.00 0.00 0.00 0.00 23.12 19.68 2qbk s ALA 159 CO 0.00 -0.90 0.73 0.36 0.00 0.00 0.00 175.76 175.95 2qbk n LYS 160 N -1.91 0.63 -4.03 0.00 2.85 -1.17 -4.29 118.16 110.24 2qbk n LYS 160 Ca 0.10 0.10 -0.15 0.00 -1.05 0.00 0.00 58.31 57.31 2qbk n LYS 160 Cb 0.52 -1.73 -0.14 0.00 -0.65 0.00 0.00 35.03 33.03 2qbk n LYS 160 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 177.40 175.81 2qbk s SER 161 N -5.43 0.37 0.52 -5.58 1.04 -0.91 -4.54 113.70 99.17 2qbk s SER 161 Ca -0.04 -0.05 0.33 0.00 0.48 0.00 0.00 55.95 56.67 2qbk s SER 161 Cb 0.10 -0.07 1.47 0.00 0.10 0.00 0.00 66.02 67.62 2qbk s SER 161 CO 0.83 0.02 1.81 -2.24 0.98 0.00 0.00 173.24 174.63 2qbk h ASP 162 N 6.22 0.07 0.27 7.02 2.03 -1.71 0.34 116.42 130.67 2qbk h ASP 162 Ca -0.28 0.02 -0.01 0.00 -0.73 0.00 0.00 57.03 56.02 2qbk h ASP 162 Cb 1.19 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.70 2qbk h ASP 162 CO 0.50 0.01 -0.13 -0.08 -1.03 0.00 0.00 179.24 178.51 2qbk h GLU 163 N 0.06 -0.35 -0.06 4.15 4.81 -1.91 -0.53 114.58 120.75 2qbk h GLU 163 Ca 0.56 0.02 0.02 0.00 -0.13 0.00 0.00 59.36 59.83 2qbk h GLU 163 Cb 2.09 0.08 -0.00 0.00 0.63 0.00 0.00 28.75 31.55 2qbk h GLU 163 CO -0.06 -0.20 0.12 0.93 -0.73 0.00 0.00 179.01 179.07 2qbk h GLU 164 N -0.41 0.00 0.00 1.92 5.08 -0.72 0.44 114.58 120.88 2qbk h GLU 164 Ca -0.04 0.00 -0.12 0.00 -1.00 0.00 0.00 59.36 58.20 2qbk h GLU 164 Cb 0.31 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.54 2qbk h GLU 164 CO 0.06 0.00 -0.57 0.78 -1.00 0.00 0.00 179.01 178.28 2qbk h GLY 165 N 0.00 0.00 0.93 -3.84 0.00 -0.32 -2.77 103.07 97.06 2qbk h GLY 165 Ca 0.03 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.35 2qbk h GLY 165 CO -0.00 0.00 -0.11 3.21 0.00 0.00 0.00 176.54 179.64 2qbk h ARG 166 N 0.00 -0.29 -0.20 4.80 3.08 0.46 -2.91 114.38 119.32 2qbk h ARG 166 Ca -0.01 0.02 0.04 0.00 0.07 0.00 0.00 59.98 60.11 2qbk h ARG 166 Cb 1.02 0.07 -0.04 0.00 0.08 0.00 0.00 29.97 31.09 2qbk h ARG 166 CO 0.07 -0.14 -0.08 0.00 -1.07 0.00 0.00 179.97 178.75 2qbk h ALA 167 N 0.38 0.09 -2.21 0.04 0.00 -1.52 -3.26 119.26 112.78 2qbk h ALA 167 Ca -0.03 0.08 -0.44 0.00 0.00 0.00 0.00 54.91 54.52 2qbk h ALA 167 Cb 0.29 0.21 0.19 0.00 0.00 0.00 0.00 17.79 18.48 2qbk h ALA 167 CO 0.05 -0.51 0.07 -1.17 0.00 0.00 0.00 179.25 177.69 2qbk s LEU 168 N -10.43 0.94 0.00 0.00 1.98 -1.05 0.40 118.68 110.52 2qbk s LEU 168 Ca -0.14 1.32 0.00 0.00 -2.89 0.00 0.00 54.13 52.42 2qbk s LEU 168 Cb 0.11 -3.28 0.00 0.00 0.66 0.00 0.00 46.19 43.68 2qbk s LEU 168 CO 0.68 -3.93 0.00 0.18 -1.89 0.00 0.00 176.35 171.40 2qbk n LEU 169 N -4.72 0.00 0.28 -0.68 4.77 -1.26 -3.67 117.00 111.72 2qbk n LEU 169 Ca 0.04 0.00 0.14 0.00 -0.03 0.00 0.00 56.01 56.16 2qbk n LEU 169 Cb 0.56 0.00 0.80 0.00 -2.33 0.00 0.00 43.42 42.45 2qbk n LEU 169 CO 0.57 0.00 1.03 0.00 -1.33 0.00 0.00 177.39 177.66 2qbk h ALA 170 N 0.00 1.34 0.00 -1.18 0.00 -1.60 0.21 119.26 118.03 2qbk h ALA 170 Ca 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.84 2qbk h ALA 170 Cb 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.78 2qbk h ALA 170 CO 0.00 0.10 0.03 0.00 0.00 0.00 0.00 179.25 179.37 2qbk h ALA 171 N 1.92 1.03 -3.00 0.00 0.00 -0.13 -3.41 119.26 115.67 2qbk h ALA 171 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2qbk h ALA 171 Cb 0.23 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.02 2qbk h ALA 171 CO 0.01 -0.03 0.00 1.19 0.00 0.00 0.00 179.25 180.42 2qbk n PHE 172 N -3.06 0.00 -1.27 0.00 3.72 0.72 -4.78 117.46 112.79 2qbk n PHE 172 Ca -0.03 0.00 -0.23 0.00 -0.05 0.00 0.00 57.45 57.14 2qbk n PHE 172 Cb 0.10 0.00 -0.02 0.00 -0.94 0.00 0.00 39.48 38.61 2qbk n PHE 172 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 176.76 176.46 2qbk n ASP 173 N 0.00 6.49 -4.55 4.37 8.00 -1.26 -4.90 116.55 124.70 2qbk n ASP 173 Ca 0.00 -3.16 -0.43 0.00 0.71 0.00 0.00 54.79 51.91 2qbk n ASP 173 Cb 0.00 -1.17 -0.04 0.00 -0.02 0.00 0.00 41.12 39.90 2qbk n ASP 173 CO 0.00 0.00 0.00 0.12 -0.39 0.00 0.00 177.20 176.93 2qbk s PHE 174 N -1.77 2.77 0.16 1.24 5.36 -1.21 -4.83 117.98 119.69 2qbk s PHE 174 Ca 0.49 0.19 -0.30 0.00 -0.96 0.00 0.00 56.93 56.35 2qbk s PHE 174 Cb 0.34 -4.18 -0.05 0.00 -0.34 0.00 0.00 43.02 38.78 2qbk s PHE 174 CO -0.14 -1.37 1.55 -1.00 -1.46 0.00 0.00 175.22 172.80 2qbk h PRO 175 N 9.33 -0.16 0.00 10.12 0.13 -1.90 -3.43 132.00 146.09 2qbk h PRO 175 Ca -0.25 0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.89 2qbk h PRO 175 Cb 1.07 0.04 0.00 0.00 0.13 0.00 0.00 31.00 32.23 2qbk h PRO 175 CO 1.10 -0.10 0.00 1.19 -0.23 0.00 0.00 178.00 179.96 2qbk n PHE 176 N -5.32 -1.16 -3.50 1.56 3.01 -1.26 -4.78 117.46 106.01 2qbk n PHE 176 Ca 0.01 0.00 -0.13 0.00 1.01 0.00 0.00 57.45 58.33 2qbk n PHE 176 Cb 0.31 0.18 -0.04 0.00 -0.01 0.00 0.00 39.48 39.92 2qbk n PHE 176 CO 0.00 0.00 0.00 0.50 1.01 0.00 0.00 176.76 178.27 2qbk s ARG 177 N 0.00 1.16 0.00 -1.08 6.06 0.77 -0.81 118.95 125.05 2qbk s ARG 177 Ca 0.00 -0.31 0.00 0.00 -2.50 0.00 0.00 55.73 52.92 2qbk s ARG 177 Cb 0.00 0.53 0.00 0.00 0.06 0.00 0.00 34.95 35.54 2qbk s ARG 177 CO 0.00 -0.46 0.41 1.17 -2.50 0.00 0.00 175.30 173.92