#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qeh s GLU 1 N 0.00 4.37 0.42 2.12 2.12 -1.26 -5.05 118.70 121.42 2qeh s GLU 1 Ca 0.00 2.20 0.07 0.00 0.36 0.00 0.00 54.97 57.60 2qeh s GLU 1 Cb 0.00 -3.08 -0.04 0.00 0.26 0.00 0.00 34.13 31.28 2qeh s GLU 1 CO 0.00 -0.17 0.27 0.95 -0.54 0.00 0.00 175.26 175.77 2qeh s THR 2 N -1.13 2.43 0.31 -1.70 -4.23 -1.26 -4.55 115.64 105.51 2qeh s THR 2 Ca 0.49 -1.54 -0.01 0.00 -1.18 0.00 0.00 61.69 59.45 2qeh s THR 2 Cb -0.39 -2.97 0.25 0.00 1.34 0.00 0.00 72.50 70.73 2qeh s THR 2 CO 0.52 0.00 1.96 0.58 -0.54 0.00 0.00 174.62 177.14 2qeh h VAL 3 N 1.23 1.20 -0.26 2.29 2.07 -1.90 -1.98 116.25 118.90 2qeh h VAL 3 Ca -0.42 -0.42 0.02 0.00 0.82 0.00 0.00 66.70 66.70 2qeh h VAL 3 Cb 1.26 0.12 -0.02 0.00 -1.52 0.00 0.00 31.29 31.13 2qeh h VAL 3 CO 0.64 0.21 0.12 -0.61 0.02 0.00 0.00 177.57 177.95 2qeh h GLN 4 N 1.03 0.26 -0.92 1.57 4.15 -1.98 -1.11 115.11 118.10 2qeh h GLN 4 Ca 0.27 -0.02 0.15 0.00 0.77 0.00 0.00 58.65 59.83 2qeh h GLN 4 Cb -0.07 -0.06 -0.09 0.00 0.21 0.00 0.00 27.48 27.46 2qeh h GLN 4 CO -0.05 0.17 0.53 -0.44 -1.93 0.00 0.00 178.83 177.10 2qeh h ASP 5 N 0.26 0.69 -0.31 -0.69 3.32 -1.78 -0.69 116.42 117.22 2qeh h ASP 5 Ca 0.11 0.08 -0.07 0.00 0.02 0.00 0.00 57.03 57.17 2qeh h ASP 5 Cb 0.04 -0.04 -0.01 0.00 0.22 0.00 0.00 39.33 39.53 2qeh h ASP 5 CO -0.08 0.30 -0.09 0.00 -1.72 0.00 0.00 179.24 177.66 2qeh h GLU 7 N 0.38 0.45 0.00 0.00 5.08 -0.71 -2.19 114.58 117.59 2qeh h GLU 7 Ca 0.08 -0.13 0.00 0.00 -1.00 0.00 0.00 59.36 58.30 2qeh h GLU 7 Cb 0.58 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.78 2qeh h GLU 7 CO 0.03 0.60 0.00 -0.91 -1.00 0.00 0.00 179.01 177.73 2qeh h ASN 8 N 0.42 0.00 0.06 1.42 2.35 -1.10 -2.38 115.58 116.35 2qeh h ASN 8 Ca 0.08 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.83 2qeh h ASN 8 Cb 0.51 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.88 2qeh h ASN 8 CO 0.03 0.00 -0.82 1.17 -1.65 0.00 0.00 177.43 176.16 2qeh n LYS 9 N -2.95 0.26 -1.72 0.81 4.81 -0.84 -4.98 118.16 113.56 2qeh n LYS 9 Ca -0.01 -0.21 -0.38 0.00 -0.87 0.00 0.00 58.31 56.85 2qeh n LYS 9 Cb 0.18 -1.50 0.06 0.00 0.02 0.00 0.00 35.03 33.79 2qeh n LYS 9 CO 0.00 0.00 0.00 1.28 1.17 0.00 0.00 177.40 179.85 2qeh n LEU 10 N -1.19 5.46 -4.84 3.14 4.77 -0.90 -5.00 117.00 118.44 2qeh n LEU 10 Ca 0.05 0.89 -0.36 0.00 -0.03 0.00 0.00 56.01 56.56 2qeh n LEU 10 Cb 0.36 -1.54 -0.06 0.00 -2.33 0.00 0.00 43.42 39.85 2qeh n LEU 10 CO 0.39 -0.95 0.19 -2.84 -1.33 0.00 0.00 177.39 172.85 2qeh s PRO 11 N -3.06 3.98 0.34 3.23 0.02 -1.26 -4.75 135.00 133.49 2qeh s PRO 11 Ca 0.77 0.47 0.25 0.00 0.02 0.00 0.00 61.00 62.52 2qeh s PRO 11 Cb -0.40 -3.05 1.20 0.00 0.02 0.00 0.00 34.50 32.27 2qeh s PRO 11 CO 0.45 0.56 1.77 -1.00 -0.33 0.00 0.00 177.00 178.44 2qeh h PRO 12 N 3.95 0.00 0.00 5.54 0.13 -1.99 0.39 132.00 140.02 2qeh h PRO 12 Ca -0.49 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.61 2qeh h PRO 12 Cb 1.20 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.33 2qeh h PRO 12 CO 0.65 0.00 -0.15 0.66 -0.23 0.00 0.00 178.00 178.93 2qeh h SER 13 N 0.00 0.00 0.01 1.44 4.64 -2.01 -2.89 113.55 114.75 2qeh h SER 13 Ca 0.00 0.00 -0.40 0.00 -0.47 0.00 0.00 61.79 60.92 2qeh h SER 13 Cb 0.21 0.00 -0.07 0.00 -0.31 0.00 0.00 62.40 62.23 2qeh h SER 13 CO 0.00 0.15 -2.45 0.18 -0.87 0.00 0.00 176.83 173.84 2qeh n LEU 14 N -3.62 2.85 -0.34 5.97 4.77 0.14 -4.25 117.00 122.52 2qeh n LEU 14 Ca -0.01 -0.07 0.19 0.00 -0.03 0.00 0.00 56.01 56.09 2qeh n LEU 14 Cb 0.28 -0.91 0.42 0.00 -2.33 0.00 0.00 43.42 40.87 2qeh n LEU 14 CO 0.31 0.89 1.18 0.50 -1.33 0.00 0.00 177.39 178.94 2qeh h LYS 15 N -0.10 0.51 0.00 3.23 3.64 -1.60 0.91 116.57 123.16 2qeh h LYS 15 Ca -0.58 -0.03 -0.00 0.00 -1.27 0.00 0.00 60.65 58.77 2qeh h LYS 15 Cb 1.88 -0.12 -0.00 0.00 -0.41 0.00 0.00 32.23 33.58 2qeh h LYS 15 CO -0.11 0.34 -0.00 1.03 -2.27 0.00 0.00 179.45 178.43 2qeh h SER 16 N 0.53 0.00 -0.28 4.20 0.87 -1.68 -2.88 113.55 114.30 2qeh h SER 16 Ca 0.64 0.00 -0.10 0.00 -1.23 0.00 0.00 61.79 61.10 2qeh h SER 16 Cb 1.32 0.00 -0.06 0.00 -0.44 0.00 0.00 62.40 63.22 2qeh h SER 16 CO -0.43 0.00 -0.05 0.54 -0.53 0.00 0.00 176.83 176.36 2qeh n ARG 17 N -3.75 2.17 -0.28 2.24 1.74 0.31 -4.79 116.66 114.31 2qeh n ARG 17 Ca -0.03 -3.01 0.13 0.00 -0.77 0.00 0.00 57.85 54.17 2qeh n ARG 17 Cb 0.08 -1.79 0.38 0.00 -1.02 0.00 0.00 32.46 30.10 2qeh n ARG 17 CO 0.00 0.00 0.00 1.25 -1.52 0.00 0.00 177.63 177.36 2qeh h LEU 18 N 1.19 0.66 -0.43 0.55 5.85 -1.25 -2.24 115.31 119.63 2qeh h LEU 18 Ca 0.12 0.05 -0.18 0.00 0.84 0.00 0.00 57.88 58.70 2qeh h LEU 18 Cb 1.51 -0.08 -0.01 0.00 0.37 0.00 0.00 40.66 42.45 2qeh h LEU 18 CO 0.29 0.32 -0.72 0.00 -0.34 0.00 0.00 178.44 177.98 2qeh h GLU 20 N 0.25 -0.29 -0.43 0.00 5.08 -1.81 -1.83 114.58 115.55 2qeh h GLU 20 Ca -0.03 0.02 0.09 0.00 -1.00 0.00 0.00 59.36 58.44 2qeh h GLU 20 Cb 1.29 0.07 -0.09 0.00 0.50 0.00 0.00 28.75 30.51 2qeh h GLU 20 CO 0.12 -0.19 -0.24 0.82 -1.00 0.00 0.00 179.01 178.52 2qeh h ILE 21 N -0.30 0.34 0.00 3.13 2.04 -1.21 -1.43 117.51 120.08 2qeh h ILE 21 Ca -0.01 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.85 2qeh h ILE 21 Cb 0.26 0.34 0.00 0.00 -0.74 0.00 0.00 36.82 36.69 2qeh h ILE 21 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 178.15 178.69 2qeh n ARG 22 N -5.40 0.56 -0.24 2.37 1.74 -0.12 -1.30 116.66 114.26 2qeh n ARG 22 Ca 0.03 0.03 0.09 0.00 -0.77 0.00 0.00 57.85 57.22 2qeh n ARG 22 Cb 0.31 -1.50 0.24 0.00 -1.02 0.00 0.00 32.46 30.49 2qeh n ARG 22 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 2qeh n ARG 23 N -1.17 2.16 -1.53 5.56 1.74 -0.70 -4.92 116.66 117.81 2qeh n ARG 23 Ca 0.15 -1.80 -0.16 0.00 -0.77 0.00 0.00 57.85 55.27 2qeh n ARG 23 Cb 0.16 -1.40 -0.06 0.00 -1.02 0.00 0.00 32.46 30.13 2qeh n ARG 23 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 2qeh n TYR 24 N 0.97 -0.05 -2.41 -1.55 4.01 -0.42 -4.98 117.16 112.72 2qeh n TYR 24 Ca 0.17 0.00 -0.41 0.00 -0.16 0.00 0.00 57.90 57.50 2qeh n TYR 24 Cb 0.43 -2.84 -0.04 0.00 -0.31 0.00 0.00 39.34 36.59 2qeh n TYR 24 CO 0.00 0.00 0.00 -1.21 -0.46 0.00 0.00 176.86 175.19 2qeh s GLU 25 N -3.47 4.54 -0.19 -0.72 2.02 -0.62 -4.98 118.70 115.28 2qeh s GLU 25 Ca 0.00 1.85 -0.27 0.00 0.02 0.00 0.00 54.97 56.57 2qeh s GLU 25 Cb 0.00 -3.23 -0.01 0.00 0.10 0.00 0.00 34.13 31.00 2qeh s GLU 25 CO 0.00 0.00 0.91 0.42 0.02 0.00 0.00 175.26 176.61 2qeh s ILE 26 N -0.38 4.81 -0.12 -1.63 -1.09 -1.26 -4.46 121.20 117.06 2qeh s ILE 26 Ca 0.50 1.78 0.02 0.00 -2.23 0.00 0.00 60.65 60.73 2qeh s ILE 26 Cb -0.32 -4.20 0.01 0.00 -1.58 0.00 0.00 42.46 36.36 2qeh s ILE 26 CO 0.38 -0.05 -0.19 -0.63 -1.23 0.00 0.00 174.94 173.22 2qeh s ILE 27 N 2.54 1.79 0.64 2.92 1.01 -1.26 -5.10 121.20 123.74 2qeh s ILE 27 Ca 0.41 -0.83 -0.09 0.00 0.00 0.00 0.00 60.65 60.13 2qeh s ILE 27 Cb -0.16 -1.60 -0.00 0.00 0.01 0.00 0.00 42.46 40.71 2qeh s ILE 27 CO 0.11 0.50 1.01 -1.61 0.00 0.00 0.00 174.94 174.94 2qeh s GLU 28 N 0.79 3.09 0.00 2.79 0.41 -1.26 -4.76 118.70 119.76 2qeh s GLU 28 Ca -0.09 0.38 0.00 0.00 -0.41 0.00 0.00 54.97 54.85 2qeh s GLU 28 Cb -0.16 -2.13 0.00 0.00 -1.78 0.00 0.00 34.13 30.07 2qeh s GLU 28 CO 0.00 -0.78 0.00 0.41 -0.49 0.00 0.00 175.26 174.41 2qeh n GLY 29 N -2.78 3.48 0.24 -1.39 0.00 -1.26 -4.64 105.19 98.83 2qeh n GLY 29 Ca 0.06 -1.88 0.15 0.00 0.00 0.00 0.00 46.02 44.34 2qeh n GLY 29 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2qeh h PRO 30 N 0.00 0.00 0.91 1.61 0.13 -1.97 0.11 132.00 132.79 2qeh h PRO 30 Ca 0.00 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 65.09 2qeh h PRO 30 Cb 0.00 0.00 0.01 0.00 0.13 0.00 0.00 31.00 31.14 2qeh h PRO 30 CO 0.00 0.00 -0.43 0.93 -0.23 0.00 0.00 178.00 178.27 2qeh h GLU 31 N 0.00 -1.17 0.00 0.86 4.39 -1.99 -2.82 114.58 113.86 2qeh h GLU 31 Ca 0.00 0.08 -0.04 0.00 0.34 0.00 0.00 59.36 59.74 2qeh h GLU 31 Cb 0.61 0.27 -0.01 0.00 -0.10 0.00 0.00 28.75 29.52 2qeh h GLU 31 CO 0.00 -0.78 -0.18 0.52 -1.16 0.00 0.00 179.01 177.41 2qeh h MET 32 N -1.28 0.00 -0.67 2.33 2.86 -1.73 -2.18 114.93 114.26 2qeh h MET 32 Ca -0.12 0.00 -0.05 0.00 -2.06 0.00 0.00 59.70 57.46 2qeh h MET 32 Cb 0.93 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 32.56 2qeh h MET 32 CO 0.20 0.18 0.21 -0.44 1.06 0.00 0.00 176.91 178.12 2qeh h ASP 33 N 0.00 0.98 0.51 1.22 3.32 -0.82 -1.65 116.42 119.99 2qeh h ASP 33 Ca -0.00 -0.21 -0.26 0.00 0.02 0.00 0.00 57.03 56.58 2qeh h ASP 33 Cb 0.36 -0.26 0.01 0.00 0.22 0.00 0.00 39.33 39.66 2qeh h ASP 33 CO 0.02 0.93 -1.16 0.50 -1.72 0.00 0.00 179.24 177.82 2qeh h LYS 34 N 0.98 0.33 -0.18 3.56 3.64 -1.18 -2.85 116.57 120.87 2qeh h LYS 34 Ca 0.22 -0.48 -0.03 0.00 -1.27 0.00 0.00 60.65 59.08 2qeh h LYS 34 Cb 0.30 0.17 -0.01 0.00 -0.41 0.00 0.00 32.23 32.29 2qeh h LYS 34 CO -0.01 1.20 -0.00 1.25 -2.27 0.00 0.00 179.45 179.62 2qeh h HIS 35 N 0.13 0.36 0.00 1.91 2.76 -1.35 -1.80 115.15 117.16 2qeh h HIS 35 Ca -0.12 -0.06 -0.07 0.00 -2.20 0.00 0.00 60.37 57.92 2qeh h HIS 35 Cb 1.85 -0.09 -0.01 0.00 1.55 0.00 0.00 27.41 30.71 2qeh h HIS 35 CO 0.07 0.53 -0.31 0.82 -1.30 0.00 0.00 177.93 177.74 2qeh h ILE 36 N 0.08 1.06 -0.30 6.26 1.08 -1.41 -0.15 117.51 124.13 2qeh h ILE 36 Ca 0.05 -1.14 -0.04 0.00 -0.39 0.00 0.00 64.86 63.33 2qeh h ILE 36 Cb 0.39 1.65 -0.01 0.00 -3.07 0.00 0.00 36.82 35.78 2qeh h ILE 36 CO 0.01 0.31 0.01 -0.74 -0.69 0.00 0.00 178.15 177.05 2qeh h HIS 37 N 0.00 0.56 -0.23 1.37 2.76 -1.44 -1.22 115.15 116.95 2qeh h HIS 37 Ca -0.00 -0.09 0.05 0.00 -2.20 0.00 0.00 60.37 58.12 2qeh h HIS 37 Cb 0.62 -0.15 -0.05 0.00 1.55 0.00 0.00 27.41 29.38 2qeh h HIS 37 CO 0.00 0.64 -0.09 0.00 -1.30 0.00 0.00 177.93 177.18 2qeh h VAL 39 N -0.05 1.34 -0.46 0.00 -1.51 -1.05 -1.16 116.25 113.35 2qeh h VAL 39 Ca 0.12 -1.57 0.09 0.00 -1.23 0.00 0.00 66.70 64.11 2qeh h VAL 39 Cb 0.23 1.92 -0.02 0.00 -2.13 0.00 0.00 31.29 31.28 2qeh h VAL 39 CO -0.26 0.48 0.32 0.24 -1.23 0.00 0.00 177.57 177.11 2qeh h MET 40 N 0.18 0.24 -0.07 5.19 2.86 -1.21 -0.40 114.93 121.71 2qeh h MET 40 Ca 0.01 -0.01 -0.23 0.00 -2.06 0.00 0.00 59.70 57.40 2qeh h MET 40 Cb 0.92 -0.05 0.01 0.00 0.06 0.00 0.00 31.60 32.54 2qeh h MET 40 CO 0.07 0.16 -0.88 0.00 1.06 0.00 0.00 176.91 177.32 2qeh h ARG 41 N 0.25 0.67 -0.39 1.72 2.47 -1.16 0.68 114.38 118.62 2qeh h ARG 41 Ca 0.21 -0.62 -0.04 0.00 -1.26 0.00 0.00 59.98 58.26 2qeh h ARG 41 Cb 0.51 0.15 -0.02 0.00 -1.65 0.00 0.00 29.97 28.96 2qeh h ARG 41 CO -0.04 1.23 0.05 0.00 0.56 0.00 0.00 179.97 181.77 2qeh h ALA 42 N 0.58 1.37 -0.03 0.04 0.00 -0.28 -2.16 119.26 118.77 2qeh h ALA 42 Ca -0.08 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.65 2qeh h ALA 42 Cb 1.52 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 19.14 2qeh h ALA 42 CO 0.17 0.44 0.00 1.28 0.00 0.00 0.00 179.25 181.15 2qeh n LEU 43 N -4.30 1.97 -2.65 0.00 4.77 -0.25 -4.86 117.00 111.68 2qeh n LEU 43 Ca 0.02 -0.67 -0.15 0.00 -0.03 0.00 0.00 56.01 55.18 2qeh n LEU 43 Cb 0.22 -0.01 0.06 0.00 -2.33 0.00 0.00 43.42 41.36 2qeh n LEU 43 CO 0.39 0.33 0.14 -0.67 -1.33 0.00 0.00 177.39 176.26 2qeh n ASP 44 N 0.54 -4.18 -0.00 -1.43 2.03 -0.80 -4.93 116.55 107.78 2qeh n ASP 44 Ca 0.17 -0.39 0.08 0.00 0.52 0.00 0.00 54.79 55.17 2qeh n ASP 44 Cb 0.43 -3.65 -0.11 0.00 -0.72 0.00 0.00 41.12 37.07 2qeh n ASP 44 CO 0.00 0.00 0.00 0.49 -1.92 0.00 0.00 177.20 175.77 2qeh n PHE 45 N -3.93 0.00 -4.26 -0.67 3.72 0.17 -4.90 117.46 107.59 2qeh n PHE 45 Ca -0.05 0.00 -0.18 0.00 -0.05 0.00 0.00 57.45 57.17 2qeh n PHE 45 Cb 0.56 -0.22 -0.11 0.00 -0.94 0.00 0.00 39.48 38.78 2qeh n PHE 45 CO 0.00 0.00 0.00 0.14 -0.05 0.00 0.00 176.76 176.85 2qeh s VAL 46 N -2.85 1.40 0.89 -4.37 -7.23 -1.21 -0.77 120.40 106.25 2qeh s VAL 46 Ca -0.01 -1.86 -0.12 0.00 -1.81 0.00 0.00 61.98 58.17 2qeh s VAL 46 Cb 0.11 -1.68 0.12 0.00 0.56 0.00 0.00 36.38 35.49 2qeh s VAL 46 CO 0.65 -0.49 1.15 -0.31 -0.31 0.00 0.00 175.10 175.79 2qeh s TYR 47 N -2.46 2.59 0.33 2.82 2.02 0.31 -4.78 117.35 118.19 2qeh s TYR 47 Ca 0.13 0.80 0.10 0.00 -0.37 0.00 0.00 57.07 57.73 2qeh s TYR 47 Cb -0.03 -3.44 0.86 0.00 -0.40 0.00 0.00 41.96 38.94 2qeh s TYR 47 CO 0.03 -2.22 1.78 0.93 -1.57 0.00 0.00 175.55 174.51 2qeh h GLU 48 N -1.39 0.63 -0.00 -0.62 5.08 -2.02 0.40 114.58 116.66 2qeh h GLU 48 Ca -0.49 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 57.83 2qeh h GLU 48 Cb 1.33 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 30.44 2qeh h GLU 48 CO 0.62 0.41 -0.02 -0.40 -1.00 0.00 0.00 179.01 178.62 2qeh n ASP 49 N -4.72 0.43 0.00 1.42 5.75 -1.26 -4.91 116.55 113.26 2qeh n ASP 49 Ca 0.23 -0.96 0.00 0.00 -0.01 0.00 0.00 54.79 54.06 2qeh n ASP 49 Cb 0.65 -0.04 0.00 0.00 -1.03 0.00 0.00 41.12 40.70 2qeh n ASP 49 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2qeh n GLY 50 N 1.12 0.45 3.70 6.12 0.00 0.14 -4.70 105.19 112.02 2qeh n GLY 50 Ca 0.20 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.80 2qeh n GLY 50 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2qeh s ARG 51 N -0.95 4.29 0.19 1.61 3.52 -1.26 -2.77 118.95 123.59 2qeh s ARG 51 Ca 0.00 2.03 -0.32 0.00 -0.13 0.00 0.00 55.73 57.32 2qeh s ARG 51 Cb 0.00 -3.48 -0.15 0.00 -1.56 0.00 0.00 34.95 29.76 2qeh s ARG 51 CO 0.00 -0.55 1.13 0.41 -0.81 0.00 0.00 175.30 175.49 2qeh n GLY 52 N 3.63 -0.01 3.44 8.12 0.00 -1.26 -0.53 105.19 118.58 2qeh n GLY 52 Ca 0.13 0.50 -0.44 0.00 0.00 0.00 0.00 46.02 46.21 2qeh n GLY 52 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2qeh s ASP 53 N -0.10 6.22 0.24 1.61 -1.08 0.05 -4.79 116.67 118.82 2qeh s ASP 53 Ca 0.71 -0.94 -0.07 0.00 -0.52 0.00 0.00 52.55 51.73 2qeh s ASP 53 Cb -0.82 -2.28 0.44 0.00 -1.46 0.00 0.00 42.92 38.79 2qeh s ASP 53 CO 0.53 -0.88 1.65 0.22 0.52 0.00 0.00 175.17 177.21 2qeh h TYR 54 N 8.98 0.03 0.00 -5.34 3.20 -1.92 -2.41 116.97 119.51 2qeh h TYR 54 Ca -0.28 0.05 0.00 0.00 3.14 0.00 0.00 58.73 61.65 2qeh h TYR 54 Cb 1.10 0.10 0.00 0.00 1.54 0.00 0.00 36.73 39.47 2qeh h TYR 54 CO 0.75 -0.20 0.00 0.72 -1.64 0.00 0.00 178.16 177.78 2qeh n HIS 55 N -5.30 0.94 0.35 -3.82 8.25 -1.26 -1.27 115.22 113.11 2qeh n HIS 55 Ca 0.13 0.27 0.14 0.00 -0.26 0.00 0.00 57.72 58.01 2qeh n HIS 55 Cb 0.47 -0.95 0.45 0.00 1.12 0.00 0.00 29.99 31.08 2qeh n HIS 55 CO 0.00 0.00 0.00 0.87 0.64 0.00 0.00 176.34 177.85 2qeh h LYS 56 N 0.00 0.00 0.00 -0.41 1.79 -1.78 -3.39 116.57 112.78 2qeh h LYS 56 Ca 0.00 0.00 -0.05 0.00 -2.18 0.00 0.00 60.65 58.42 2qeh h LYS 56 Cb 0.73 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.37 2qeh h LYS 56 CO 0.00 0.00 -1.17 1.28 -1.08 0.00 0.00 179.45 178.48 2qeh n LEU 57 N -2.77 0.53 0.09 2.94 4.77 -0.97 -4.68 117.00 116.91 2qeh n LEU 57 Ca 0.03 -0.00 -0.13 0.00 -0.03 0.00 0.00 56.01 55.87 2qeh n LEU 57 Cb 0.38 0.03 -0.07 0.00 -2.33 0.00 0.00 43.42 41.43 2qeh n LEU 57 CO 0.28 0.15 0.61 0.22 -1.33 0.00 0.00 177.39 177.31 2qeh h TYR 58 N 0.00 -1.09 -0.04 -1.77 5.03 -1.38 0.34 116.97 118.06 2qeh h TYR 58 Ca -0.07 0.03 -0.02 0.00 2.58 0.00 0.00 58.73 61.26 2qeh h TYR 58 Cb 1.14 0.47 -0.00 0.00 1.55 0.00 0.00 36.73 39.89 2qeh h TYR 58 CO 0.00 -0.48 -0.03 -0.44 -1.32 0.00 0.00 178.16 175.89 2qeh h ASP 59 N -0.58 0.10 -0.61 -2.11 3.32 -1.85 -1.73 116.42 112.96 2qeh h ASP 59 Ca 0.04 -0.46 0.12 0.00 0.02 0.00 0.00 57.03 56.75 2qeh h ASP 59 Cb 0.64 -0.03 -0.09 0.00 0.22 0.00 0.00 39.33 40.07 2qeh h ASP 59 CO -0.27 0.54 0.11 -0.65 -1.72 0.00 0.00 179.24 177.25 2qeh h PRO 60 N -0.34 0.22 -0.12 3.56 0.11 -1.82 0.12 132.00 133.74 2qeh h PRO 60 Ca 0.01 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.11 2qeh h PRO 60 Cb 0.51 -0.05 -0.01 0.00 0.11 0.00 0.00 31.00 31.56 2qeh h PRO 60 CO 0.01 0.15 0.08 -0.07 -0.21 0.00 0.00 178.00 177.96 2qeh h LEU 61 N 0.23 0.14 -1.14 2.35 3.38 -0.92 -3.02 115.31 116.33 2qeh h LEU 61 Ca 0.32 -0.02 -0.09 0.00 0.09 0.00 0.00 57.88 58.19 2qeh h LEU 61 Cb 0.50 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.20 2qeh h LEU 61 CO -0.43 0.12 -0.33 0.78 0.09 0.00 0.00 178.44 178.66 2qeh h ASN 62 N 0.16 0.18 -0.73 -0.43 2.35 -0.74 0.24 115.58 116.61 2qeh h ASN 62 Ca 0.05 -0.06 -0.02 0.00 -0.55 0.00 0.00 56.30 55.71 2qeh h ASN 62 Cb -0.01 -0.05 -0.04 0.00 0.05 0.00 0.00 38.32 38.28 2qeh h ASN 62 CO -0.01 0.51 0.38 0.40 -1.65 0.00 0.00 177.43 177.05 2qeh h ILE 63 N 0.16 1.23 0.14 2.81 2.04 -0.75 -2.50 117.51 120.64 2qeh h ILE 63 Ca 0.02 -0.62 -0.21 0.00 1.00 0.00 0.00 64.86 65.05 2qeh h ILE 63 Cb 0.67 0.26 0.02 0.00 -0.74 0.00 0.00 36.82 37.02 2qeh h ILE 63 CO 0.05 0.27 -0.93 0.40 0.00 0.00 0.00 178.15 177.94 2qeh h ILE 64 N 1.05 1.44 -2.68 -0.67 2.04 -1.34 -3.43 117.51 113.92 2qeh h ILE 64 Ca 0.26 -2.53 -0.55 0.00 1.00 0.00 0.00 64.86 63.04 2qeh h ILE 64 Cb 0.08 3.13 -0.39 0.00 -0.74 0.00 0.00 36.82 38.89 2qeh h ILE 64 CO -0.04 0.72 -0.82 -0.70 0.00 0.00 0.00 178.15 177.32 2qeh s GLU 65 N -2.44 0.37 -0.21 2.37 2.12 0.04 -5.10 118.70 115.85 2qeh s GLU 65 Ca -0.14 -0.94 -0.29 0.00 0.36 0.00 0.00 54.97 53.96 2qeh s GLU 65 Cb 0.01 -1.22 -0.04 0.00 0.26 0.00 0.00 34.13 33.15 2qeh s GLU 65 CO 0.83 -1.12 1.77 -1.17 -0.54 0.00 0.00 175.26 175.03 2qeh s LEU 66 N 1.57 3.83 -0.30 2.70 2.96 -0.94 -4.25 118.68 124.24 2qeh s LEU 66 Ca 0.14 1.73 -0.12 0.00 -0.22 0.00 0.00 54.13 55.65 2qeh s LEU 66 Cb -0.20 -3.53 0.14 0.00 0.50 0.00 0.00 46.19 43.11 2qeh s LEU 66 CO -0.17 -1.41 0.78 -0.62 -1.32 0.00 0.00 176.35 173.61 2qeh s ASP 67 N 5.15 -0.92 0.66 3.68 -1.08 -1.26 -5.01 116.67 117.89 2qeh s ASP 67 Ca 0.79 1.27 0.36 0.00 -0.52 0.00 0.00 52.55 54.45 2qeh s ASP 67 Cb -0.28 1.99 1.96 0.00 -1.46 0.00 0.00 42.92 45.14 2qeh s ASP 67 CO 0.32 -0.18 2.13 0.07 0.52 0.00 0.00 175.17 178.03 2qeh h LYS 68 N 7.70 0.00 0.00 4.34 2.10 -2.02 -2.36 116.57 126.33 2qeh h LYS 68 Ca -0.18 0.00 -0.03 0.00 -2.00 0.00 0.00 60.65 58.44 2qeh h LYS 68 Cb 1.12 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 32.44 2qeh h LYS 68 CO 0.10 0.00 -0.15 0.00 -2.00 0.00 0.00 179.45 177.40 2qeh h ARG 69 N 0.00 0.00 -0.23 0.07 3.08 -1.96 -3.10 114.38 112.24 2qeh h ARG 69 Ca 0.01 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.06 2qeh h ARG 69 Cb 0.38 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.42 2qeh h ARG 69 CO -0.00 0.15 0.14 0.45 -1.07 0.00 0.00 179.97 179.64 2qeh h HIS 70 N 0.00 0.31 -0.34 3.04 3.86 -1.80 0.11 115.15 120.33 2qeh h HIS 70 Ca -0.00 -0.00 0.08 0.00 -1.16 0.00 0.00 60.37 59.28 2qeh h HIS 70 Cb 0.68 -0.10 -0.08 0.00 1.06 0.00 0.00 27.41 28.97 2qeh h HIS 70 CO 0.00 0.26 -0.25 0.22 0.86 0.00 0.00 177.93 179.02 2qeh h ASP 71 N 0.28 -0.83 -0.37 2.45 3.58 -1.75 0.48 116.42 120.26 2qeh h ASP 71 Ca 0.08 0.16 -0.00 0.00 0.42 0.00 0.00 57.03 57.69 2qeh h ASP 71 Cb 0.04 0.41 -0.02 0.00 1.72 0.00 0.00 39.33 41.48 2qeh h ASP 71 CO -0.01 -0.28 0.22 0.58 -2.88 0.00 0.00 179.24 176.87 2qeh h VAL 72 N -0.21 1.13 -0.35 2.25 2.07 -1.45 -1.30 116.25 118.38 2qeh h VAL 72 Ca 0.17 -0.31 -0.15 0.00 0.82 0.00 0.00 66.70 67.23 2qeh h VAL 72 Cb 0.47 0.66 -0.01 0.00 -1.52 0.00 0.00 31.29 30.89 2qeh h VAL 72 CO -0.46 0.13 -0.39 0.78 0.02 0.00 0.00 177.57 177.64 2qeh h ASN 73 N 0.49 0.92 -0.28 0.57 2.35 -0.51 -1.22 115.58 117.90 2qeh h ASN 73 Ca 0.13 -0.42 0.02 0.00 -0.55 0.00 0.00 56.30 55.48 2qeh h ASN 73 Cb 0.02 -0.26 -0.02 0.00 0.05 0.00 0.00 38.32 38.11 2qeh h ASN 73 CO -0.02 1.19 0.14 -0.07 -1.65 0.00 0.00 177.43 177.02 2qeh h LEU 74 N 0.70 0.20 -0.63 1.61 3.38 -0.77 0.30 115.31 120.11 2qeh h LEU 74 Ca 0.06 0.01 -0.04 0.00 0.09 0.00 0.00 57.88 58.00 2qeh h LEU 74 Cb 0.97 -0.03 -0.03 0.00 0.09 0.00 0.00 40.66 41.66 2qeh h LEU 74 CO 0.09 0.15 0.25 -0.33 0.09 0.00 0.00 178.44 178.69 2qeh h GLU 75 N 0.29 0.94 -0.11 1.13 4.39 -1.07 -0.49 114.58 119.66 2qeh h GLU 75 Ca 0.11 -0.17 -0.01 0.00 0.34 0.00 0.00 59.36 59.63 2qeh h GLU 75 Cb 0.03 -0.15 -0.01 0.00 -0.10 0.00 0.00 28.75 28.53 2qeh h GLU 75 CO -0.08 0.80 0.05 -0.22 -1.16 0.00 0.00 179.01 178.40 2qeh h LYS 76 N 0.88 0.16 -0.04 2.33 3.64 -0.99 -1.55 116.57 121.01 2qeh h LYS 76 Ca 0.21 -0.03 -0.17 0.00 -1.27 0.00 0.00 60.65 59.40 2qeh h LYS 76 Cb 0.21 -0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 31.99 2qeh h LYS 76 CO -0.02 0.25 -0.72 0.00 -2.27 0.00 0.00 179.45 176.70 2qeh h ILE 78 N 0.14 1.24 -0.70 0.00 2.04 -1.09 -1.75 117.51 117.39 2qeh h ILE 78 Ca -0.02 -0.89 0.11 0.00 1.00 0.00 0.00 64.86 65.06 2qeh h ILE 78 Cb 1.27 1.00 -0.08 0.00 -0.74 0.00 0.00 36.82 38.27 2qeh h ILE 78 CO 0.11 0.31 0.31 1.23 0.00 0.00 0.00 178.15 180.11 2qeh h GLY 79 N 0.56 1.04 0.86 5.37 0.00 -0.95 -2.07 103.07 107.88 2qeh h GLY 79 Ca 0.13 -0.18 -0.03 0.00 0.00 0.00 0.00 47.33 47.25 2qeh h GLY 79 CO 0.01 -0.00 0.03 0.83 0.00 0.00 0.00 176.54 177.41 2qeh h GLU 80 N 0.52 0.43 0.00 4.80 5.08 -1.11 -3.21 114.58 121.09 2qeh h GLU 80 Ca 0.36 -0.12 -0.07 0.00 -1.00 0.00 0.00 59.36 58.53 2qeh h GLU 80 Cb 0.44 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.63 2qeh h GLU 80 CO -0.31 0.56 -0.34 0.00 -1.00 0.00 0.00 179.01 177.92 2qeh h VAL 82 N 0.00 0.95 -0.12 0.00 2.07 -1.38 -2.88 116.25 114.89 2qeh h VAL 82 Ca -0.00 -0.74 0.00 0.00 0.82 0.00 0.00 66.70 66.78 2qeh h VAL 82 Cb 0.63 1.42 0.00 0.00 -1.52 0.00 0.00 31.29 31.82 2qeh h VAL 82 CO 0.04 0.20 0.00 0.00 0.02 0.00 0.00 177.57 177.83 2qeh n GLN 83 N -4.02 1.91 -4.00 1.57 6.02 -0.90 -4.84 117.38 113.13 2qeh n GLN 83 Ca -0.02 -1.35 -0.22 0.00 -0.01 0.00 0.00 57.00 55.41 2qeh n GLN 83 Cb 0.28 -1.45 -0.04 0.00 1.02 0.00 0.00 30.24 30.04 2qeh n GLN 83 CO 0.00 0.00 0.00 0.14 -1.01 0.00 0.00 177.06 176.19 2qeh s VAL 84 N -1.87 4.06 0.76 5.09 -7.23 -1.09 -5.11 120.40 115.01 2qeh s VAL 84 Ca 0.35 -1.40 -0.14 0.00 -1.81 0.00 0.00 61.98 58.98 2qeh s VAL 84 Cb 0.20 -3.30 0.06 0.00 0.56 0.00 0.00 36.38 33.89 2qeh s VAL 84 CO 0.30 -0.28 1.18 -2.84 -0.31 0.00 0.00 175.10 173.15 2qeh s PRO 85 N -3.90 1.98 0.28 4.82 0.02 -1.26 -4.79 135.00 132.14 2qeh s PRO 85 Ca 0.36 1.64 0.23 0.00 0.02 0.00 0.00 61.00 63.25 2qeh s PRO 85 Cb -0.07 -1.83 1.04 0.00 0.02 0.00 0.00 34.50 33.66 2qeh s PRO 85 CO 0.25 -1.93 1.69 -2.37 -0.33 0.00 0.00 177.00 174.32 2qeh n THR 86 N -3.06 0.90 0.19 0.99 5.66 -1.26 -1.32 114.28 116.39 2qeh n THR 86 Ca 0.13 0.39 0.07 0.00 -3.05 0.00 0.00 64.05 61.59 2qeh n THR 86 Cb 0.51 -1.35 0.20 0.00 -1.55 0.00 0.00 70.33 68.14 2qeh n THR 86 CO 0.00 0.00 0.00 0.77 -3.05 0.00 0.00 175.07 172.79 2qeh h SER 87 N 0.00 0.00 -0.00 1.09 4.64 -1.90 -3.29 113.55 114.08 2qeh h SER 87 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2qeh h SER 87 Cb 0.25 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.34 2qeh h SER 87 CO 0.00 0.29 -0.21 1.21 -0.87 0.00 0.00 176.83 177.26 2qeh n GLU 88 N -3.24 2.67 -0.02 4.77 2.13 -0.43 -4.44 120.64 122.08 2qeh n GLU 88 Ca 0.02 -0.43 -0.13 0.00 0.66 0.00 0.00 57.16 57.28 2qeh n GLU 88 Cb 0.59 -0.99 -0.08 0.00 0.27 0.00 0.00 31.44 31.23 2qeh n GLU 88 CO 0.00 0.00 0.00 -0.09 -0.41 0.00 0.00 177.13 176.63 2qeh h ARG 89 N 0.72 0.11 -0.29 5.31 2.43 -1.52 -0.69 114.38 120.46 2qeh h ARG 89 Ca 0.00 -0.05 -0.08 0.00 -0.81 0.00 0.00 59.98 59.04 2qeh h ARG 89 Cb 0.26 -0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 29.79 2qeh h ARG 89 CO 0.00 0.48 -0.17 0.00 -1.51 0.00 0.00 179.97 178.77 2qeh h ALA 90 N 0.63 1.17 -0.05 2.80 0.00 -1.78 -1.04 119.26 120.99 2qeh h ALA 90 Ca 0.01 -0.30 -0.24 0.00 0.00 0.00 0.00 54.91 54.38 2qeh h ALA 90 Cb 0.44 -0.13 0.02 0.00 0.00 0.00 0.00 17.79 18.11 2qeh h ALA 90 CO 0.01 0.53 -0.91 1.25 0.00 0.00 0.00 179.25 180.12 2qeh h HIS 91 N 0.46 1.01 -0.86 0.00 -0.00 -1.79 -1.07 115.15 112.90 2qeh h HIS 91 Ca 0.08 -0.51 -0.01 0.00 -0.00 0.00 0.00 60.37 59.92 2qeh h HIS 91 Cb 0.57 -0.13 -0.04 0.00 -0.00 0.00 0.00 27.41 27.81 2qeh h HIS 91 CO 0.02 1.35 0.50 0.28 -0.00 0.00 0.00 177.93 180.08 2qeh h VAL 92 N 0.38 1.24 0.11 5.26 2.07 -0.98 0.15 116.25 124.48 2qeh h VAL 92 Ca -0.10 -0.56 -0.00 0.00 0.82 0.00 0.00 66.70 66.86 2qeh h VAL 92 Cb 1.56 0.05 -0.01 0.00 -1.52 0.00 0.00 31.29 31.38 2qeh h VAL 92 CO 0.18 0.26 -0.08 0.15 0.02 0.00 0.00 177.57 178.10 2qeh h PHE 93 N 1.19 -0.21 0.27 1.57 3.57 -1.00 0.31 116.94 122.65 2qeh h PHE 93 Ca 0.31 -0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.80 2qeh h PHE 93 Cb -0.02 0.08 -0.01 0.00 2.79 0.00 0.00 35.95 38.79 2qeh h PHE 93 CO 0.01 -0.13 -0.21 -0.92 -2.23 0.00 0.00 178.31 174.83 2qeh h TYR 94 N -0.20 -0.54 -0.64 0.41 3.20 -0.99 -1.35 116.97 116.87 2qeh h TYR 94 Ca -0.00 -0.00 0.06 0.00 3.14 0.00 0.00 58.73 61.92 2qeh h TYR 94 Cb 0.18 0.20 -0.05 0.00 1.54 0.00 0.00 36.73 38.59 2qeh h TYR 94 CO -0.10 -0.31 0.35 0.87 -1.64 0.00 0.00 178.16 177.33 2qeh h LYS 95 N -0.48 0.63 -0.70 1.82 1.57 -0.68 -1.87 116.57 116.86 2qeh h LYS 95 Ca -0.02 -0.04 -0.00 0.00 -1.87 0.00 0.00 60.65 58.72 2qeh h LYS 95 Cb 0.42 -0.14 -0.03 0.00 0.08 0.00 0.00 32.23 32.56 2qeh h LYS 95 CO -0.01 0.42 0.43 0.00 -0.57 0.00 0.00 179.45 179.72 2qeh h LEU 97 N 0.96 0.94 -1.14 0.00 3.38 -0.90 -2.20 115.31 116.34 2qeh h LEU 97 Ca 0.25 -0.29 -0.08 0.00 0.09 0.00 0.00 57.88 57.86 2qeh h LEU 97 Cb -0.05 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.44 2qeh h LEU 97 CO -0.05 0.99 -0.26 -0.07 0.09 0.00 0.00 178.44 179.14 2qeh h LEU 98 N 0.85 0.27 -0.34 1.67 3.38 -1.19 -1.45 115.31 118.50 2qeh h LEU 98 Ca 0.16 -0.08 -0.01 0.00 0.09 0.00 0.00 57.88 58.04 2qeh h LEU 98 Cb 0.49 -0.07 -0.00 0.00 0.09 0.00 0.00 40.66 41.16 2qeh h LEU 98 CO 0.02 0.54 -0.07 0.11 0.09 0.00 0.00 178.44 179.13 2qeh h LYS 99 N 0.24 0.00 -7.54 1.13 1.57 -1.30 -3.38 116.57 107.30 2qeh h LYS 99 Ca 0.04 0.00 -0.48 0.00 -1.87 0.00 0.00 60.65 58.34 2qeh h LYS 99 Cb 0.60 0.00 0.10 0.00 0.08 0.00 0.00 32.23 33.01 2qeh h LYS 99 CO 0.04 0.07 0.39 -1.54 -0.57 0.00 0.00 179.45 177.83 2qeh s SER 100 N -6.14 4.59 0.02 0.86 1.04 -0.84 -4.92 113.70 108.30 2qeh s SER 100 Ca 0.05 0.96 0.04 0.00 0.48 0.00 0.00 55.95 57.48 2qeh s SER 100 Cb 0.06 -1.57 0.16 0.00 0.10 0.00 0.00 66.02 64.78 2qeh s SER 100 CO 0.65 -1.87 1.11 0.35 0.98 0.00 0.00 173.24 174.47 2qeh n THR 101 N -3.32 1.78 0.22 2.02 -2.24 -1.26 -1.54 114.28 109.92 2qeh n THR 101 Ca 0.07 0.46 0.11 0.00 -2.27 0.00 0.00 64.05 62.43 2qeh n THR 101 Cb 0.59 -1.42 0.16 0.00 -2.10 0.00 0.00 70.33 67.57 2qeh n THR 101 CO 0.00 0.00 0.00 0.74 -0.57 0.00 0.00 175.07 175.24 2qeh h THR 102 N 0.00 0.05 -0.77 4.28 2.02 -1.91 -3.36 112.91 113.23 2qeh h THR 102 Ca 0.00 -1.07 0.15 0.00 0.77 0.00 0.00 66.41 66.26 2qeh h THR 102 Cb 0.05 2.02 -0.15 0.00 -1.74 0.00 0.00 68.15 68.34 2qeh h THR 102 CO 0.00 0.03 -0.21 1.23 0.37 0.00 0.00 175.52 176.94 2qeh h GLY 103 N 3.97 0.50 0.17 2.16 0.00 -0.22 0.32 103.07 109.97 2qeh h GLY 103 Ca -0.00 0.28 0.11 0.00 0.00 0.00 0.00 47.33 47.72 2qeh h GLY 103 CO 0.00 -0.29 0.08 -0.09 0.00 0.00 0.00 176.54 176.25 2qeh h ARG 104 N -0.01 0.20 0.05 4.80 2.43 -1.80 -1.37 114.38 118.69 2qeh h ARG 104 Ca 0.36 -0.01 -0.27 0.00 -0.81 0.00 0.00 59.98 59.25 2qeh h ARG 104 Cb 0.57 -0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 30.05 2qeh h ARG 104 CO -0.80 0.13 -1.37 1.15 -1.51 0.00 0.00 179.97 177.58 2qeh h THR 105 N 0.21 1.30 -0.76 0.20 2.02 -1.61 -3.30 112.91 110.98 2qeh h THR 105 Ca 0.30 -3.01 0.09 0.00 0.77 0.00 0.00 66.41 64.56 2qeh h THR 105 Cb 0.44 2.73 -0.07 0.00 -1.74 0.00 0.00 68.15 69.51 2qeh h THR 105 CO -0.41 0.81 0.40 0.15 0.37 0.00 0.00 175.52 176.84 2qeh h PHE 106 N 0.03 0.73 -0.57 3.16 3.57 0.21 -1.28 116.94 122.79 2qeh h PHE 106 Ca -0.17 0.03 -0.04 0.00 3.53 0.00 0.00 57.97 61.32 2qeh h PHE 106 Cb 1.93 -0.21 -0.03 0.00 2.79 0.00 0.00 35.95 40.43 2qeh h PHE 106 CO 0.03 0.28 0.19 0.87 -2.23 0.00 0.00 178.31 177.45 2qeh h LYS 107 N 0.68 0.84 -0.11 1.11 1.57 -1.35 0.21 116.57 119.52 2qeh h LYS 107 Ca 0.37 -0.14 -0.01 0.00 -1.87 0.00 0.00 60.65 58.99 2qeh h LYS 107 Cb 0.36 -0.14 -0.00 0.00 0.08 0.00 0.00 32.23 32.52 2qeh h LYS 107 CO -0.25 0.71 0.04 0.87 -0.57 0.00 0.00 179.45 180.24 2qeh h LYS 108 N 0.82 0.17 -0.52 3.15 1.57 -1.48 0.11 116.57 120.39 2qeh h LYS 108 Ca 0.19 -0.04 -0.01 0.00 -1.87 0.00 0.00 60.65 58.93 2qeh h LYS 108 Cb 0.21 -0.03 -0.02 0.00 0.08 0.00 0.00 32.23 32.47 2qeh h LYS 108 CO -0.01 0.31 0.29 0.28 -0.57 0.00 0.00 179.45 179.75 2qeh h VAL 109 N 0.00 1.17 0.21 0.50 2.07 -0.94 -0.80 116.25 118.46 2qeh h VAL 109 Ca 0.04 -0.42 -0.00 0.00 0.82 0.00 0.00 66.70 67.14 2qeh h VAL 109 Cb 0.21 0.51 -0.01 0.00 -1.52 0.00 0.00 31.29 30.47 2qeh h VAL 109 CO -0.00 0.18 -0.17 0.15 0.02 0.00 0.00 177.57 177.75 2qeh h PHE 110 N 0.69 -0.44 -0.25 1.57 3.04 -0.58 -1.18 116.94 119.79 2qeh h PHE 110 Ca 0.18 -0.00 0.06 0.00 3.98 0.00 0.00 57.97 62.19 2qeh h PHE 110 Cb 0.03 0.17 -0.06 0.00 2.56 0.00 0.00 35.95 38.65 2qeh h PHE 110 CO -0.02 -0.26 -0.11 -0.44 -2.02 0.00 0.00 178.31 175.46 2qeh h ASP 111 N -0.39 -0.38 -0.34 0.41 3.32 -0.79 -0.73 116.42 117.52 2qeh h ASP 111 Ca -0.01 0.09 0.04 0.00 0.02 0.00 0.00 57.03 57.17 2qeh h ASP 111 Cb 0.35 0.21 -0.04 0.00 0.22 0.00 0.00 39.33 40.08 2qeh h ASP 111 CO -0.01 -0.15 0.12 -0.07 -1.72 0.00 0.00 179.24 177.41 2qeh h LEU 112 N -0.08 0.13 -1.10 1.55 3.38 -1.05 -1.99 115.31 116.15 2qeh h LEU 112 Ca 0.13 0.04 -0.08 0.00 0.09 0.00 0.00 57.88 58.06 2qeh h LEU 112 Cb 0.27 0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.03 2qeh h LEU 112 CO -0.30 0.11 -0.17 -0.03 0.09 0.00 0.00 178.44 178.15 2qeh h MET 113 N 0.26 0.44 -0.32 1.13 4.05 -0.90 0.11 114.93 119.70 2qeh h MET 113 Ca 0.15 -0.13 -0.03 0.00 -0.28 0.00 0.00 59.70 59.40 2qeh h MET 113 Cb 0.12 -0.04 -0.01 0.00 -0.80 0.00 0.00 31.60 30.87 2qeh h MET 113 CO -0.16 0.60 0.07 1.49 0.23 0.00 0.00 176.91 179.15 2qeh h GLU 114 N 0.41 0.52 0.00 0.39 4.81 -0.48 -0.89 114.58 119.34 2qeh h GLU 114 Ca 0.07 -0.13 -0.18 0.00 -0.13 0.00 0.00 59.36 58.99 2qeh h GLU 114 Cb 0.53 -0.07 -0.03 0.00 0.63 0.00 0.00 28.75 29.82 2qeh h GLU 114 CO 0.03 0.59 -0.87 -0.07 -0.73 0.00 0.00 179.01 177.97 2qeh h LEU 115 N 0.37 0.00 -0.12 1.64 3.38 -1.13 -1.66 115.31 117.78 2qeh h LEU 115 Ca 0.10 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.07 2qeh h LEU 115 Cb 0.30 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.05 2qeh h LEU 115 CO 0.00 0.87 0.06 0.11 0.09 0.00 0.00 178.44 179.57 2qeh h LYS 116 N 0.00 0.18 -0.11 1.13 1.57 -0.70 0.92 116.57 119.56 2qeh h LYS 116 Ca -0.01 -0.03 -0.06 0.00 -1.87 0.00 0.00 60.65 58.68 2qeh h LYS 116 Cb 1.61 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 33.87 2qeh h LYS 116 CO 0.11 0.23 -0.21 0.87 -0.57 0.00 0.00 179.45 179.89 2qeh h LYS 117 N 0.08 0.19 0.00 3.15 1.57 -1.13 -0.86 116.57 119.57 2qeh h LYS 117 Ca 0.04 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 2qeh h LYS 117 Cb 0.11 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.40 2qeh h LYS 117 CO -0.01 0.40 0.00 0.00 -0.57 0.00 0.00 179.45 179.28 2qeh n ALA 118 N -2.49 2.09 -1.73 3.86 0.00 -0.63 -4.90 120.51 116.72 2qeh n ALA 118 Ca -0.01 -0.09 -0.07 0.00 0.00 0.00 0.00 53.44 53.27 2qeh n ALA 118 Cb 0.32 -1.38 -0.01 0.00 0.00 0.00 0.00 19.45 18.38 2qeh n ALA 118 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2qeh n GLY 119 N 0.87 0.44 0.10 0.00 0.00 -0.33 -4.93 105.19 101.34 2qeh n GLY 119 Ca 0.07 -0.66 0.03 0.00 0.00 0.00 0.00 46.02 45.45 2qeh n GLY 119 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2qeh h LYS 120 N 0.00 0.00 -4.27 1.61 1.79 -1.05 -3.47 116.57 111.18 2qeh h LYS 120 Ca -0.15 0.00 -0.17 0.00 -2.18 0.00 0.00 60.65 58.15 2qeh h LYS 120 Cb 0.83 0.00 -0.17 0.00 -1.58 0.00 0.00 32.23 31.30 2qeh h LYS 120 CO 0.20 0.23 -0.69 0.14 -1.08 0.00 0.00 179.45 178.24 2qeh s VAL 121 N -3.02 0.30 0.86 0.50 -7.23 -1.18 -5.02 120.40 105.61 2qeh s VAL 121 Ca -0.02 -1.48 -0.11 0.00 -1.81 0.00 0.00 61.98 58.56 2qeh s VAL 121 Cb 0.09 -1.07 0.11 0.00 0.56 0.00 0.00 36.38 36.07 2qeh s VAL 121 CO 0.80 -0.76 1.11 -2.16 -0.31 0.00 0.00 175.10 173.78 2qeh s PRO 122 N -2.92 1.49 0.55 4.82 0.04 -1.26 -4.42 135.00 133.29 2qeh s PRO 122 Ca -0.01 1.25 0.25 0.00 0.04 0.00 0.00 61.00 62.53 2qeh s PRO 122 Cb 0.00 -1.80 1.55 0.00 0.04 0.00 0.00 34.50 34.29 2qeh s PRO 122 CO -0.05 -2.21 2.16 1.96 0.04 0.00 0.00 177.00 178.90 2qeh h GLN 123 N -1.54 0.00 -0.46 4.56 1.08 -1.98 -1.81 115.11 114.96 2qeh h GLN 123 Ca -0.45 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 56.75 2qeh h GLN 123 Cb 1.26 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.69 2qeh h GLN 123 CO 0.48 0.05 0.00 -2.39 -0.95 0.00 0.00 178.83 176.02 2qeh n HIS 124 N -3.95 0.61 -1.61 2.96 1.44 -1.26 -4.98 115.22 108.43 2qeh n HIS 124 Ca -0.03 -0.30 -0.49 0.00 -2.01 0.00 0.00 57.72 54.89 2qeh n HIS 124 Cb 0.14 0.00 -0.05 0.00 0.12 0.00 0.00 29.99 30.21 2qeh n HIS 124 CO 0.00 0.00 0.00 0.94 -2.81 0.00 0.00 176.34 174.47 2qeh n GLN 125 N 0.96 1.41 -3.18 -1.40 -0.06 -0.68 -4.99 117.38 109.43 2qeh n GLN 125 Ca 0.17 0.51 -0.18 0.00 -2.00 0.00 0.00 57.00 55.50 2qeh n GLN 125 Cb 0.43 -2.11 0.00 0.00 -4.06 0.00 0.00 30.24 24.50 2qeh n GLN 125 CO 0.00 0.00 0.00 1.03 -0.20 0.00 0.00 177.06 177.89 2qeh s ARG 126 N 0.10 2.84 -1.11 3.69 0.52 -1.26 -5.04 118.95 118.69 2qeh s ARG 126 Ca 0.77 -1.24 -0.21 0.00 -0.52 0.00 0.00 55.73 54.53 2qeh s ARG 126 Cb -0.84 -2.71 0.07 0.00 0.52 0.00 0.00 34.95 31.99 2qeh s ARG 126 CO 0.48 -0.19 1.52 -0.47 0.02 0.00 0.00 175.30 176.65 2qeh s TYR 127 N -2.33 2.70 0.46 -0.53 5.04 -1.26 -4.75 117.35 116.67 2qeh s TYR 127 Ca 0.52 -1.19 0.07 0.00 -2.44 0.00 0.00 57.07 54.02 2qeh s TYR 127 Cb -0.09 -4.67 -0.01 0.00 0.35 0.00 0.00 41.96 37.54 2qeh s TYR 127 CO 0.32 -1.84 0.31 0.95 -1.34 0.00 0.00 175.55 173.95 2qeh s THR 128 N 4.41 2.16 0.28 4.34 -4.23 -1.26 -4.98 115.64 116.36 2qeh s THR 128 Ca 0.47 -1.53 -0.04 0.00 -1.18 0.00 0.00 61.69 59.42 2qeh s THR 128 Cb 0.01 -2.69 0.26 0.00 1.34 0.00 0.00 72.50 71.42 2qeh s THR 128 CO -0.04 0.00 1.94 0.00 -0.54 0.00 0.00 174.62 175.99 2qeh h ALA 129 N 1.08 1.36 -0.42 3.99 0.00 -2.00 -1.69 119.26 121.59 2qeh h ALA 129 Ca -0.40 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.44 2qeh h ALA 129 Cb 1.27 -0.36 -0.02 0.00 0.00 0.00 0.00 17.79 18.68 2qeh h ALA 129 CO 0.62 0.58 0.22 1.49 0.00 0.00 0.00 179.25 182.16 2qeh h GLU 130 N 1.22 0.59 -0.69 0.00 4.81 -1.96 -2.51 114.58 116.05 2qeh h GLU 130 Ca 0.35 -0.07 0.03 0.00 -0.13 0.00 0.00 59.36 59.53 2qeh h GLU 130 Cb -0.10 -0.11 -0.04 0.00 0.63 0.00 0.00 28.75 29.12 2qeh h GLU 130 CO -0.08 0.48 0.43 0.35 -0.73 0.00 0.00 179.01 179.46 2qeh h PHE 131 N 0.54 0.81 -0.57 0.92 3.57 -1.69 -0.56 116.94 119.96 2qeh h PHE 131 Ca 0.15 0.02 0.09 0.00 3.53 0.00 0.00 57.97 61.76 2qeh h PHE 131 Cb 0.07 -0.27 -0.07 0.00 2.79 0.00 0.00 35.95 38.47 2qeh h PHE 131 CO -0.02 0.47 0.17 0.28 -2.23 0.00 0.00 178.31 176.98 2qeh h VAL 132 N 0.85 0.74 -0.56 1.41 2.07 -1.10 0.59 116.25 120.24 2qeh h VAL 132 Ca 0.27 -0.11 -0.06 0.00 0.82 0.00 0.00 66.70 67.62 2qeh h VAL 132 Cb 0.00 0.38 -0.03 0.00 -1.52 0.00 0.00 31.29 30.13 2qeh h VAL 132 CO -0.10 0.06 0.12 -0.61 0.02 0.00 0.00 177.57 177.06 2qeh h GLN 133 N 0.33 0.88 -0.67 1.57 5.75 -1.00 -1.59 115.11 120.38 2qeh h GLN 133 Ca 0.29 -0.19 -0.05 0.00 -0.15 0.00 0.00 58.65 58.55 2qeh h GLN 133 Cb 0.38 -0.13 -0.03 0.00 1.07 0.00 0.00 27.48 28.77 2qeh h GLN 133 CO -0.33 0.80 0.24 0.82 -2.65 0.00 0.00 178.83 177.71 2qeh h ILE 134 N 0.84 1.25 -0.51 2.39 2.04 -0.22 -1.01 117.51 122.29 2qeh h ILE 134 Ca 0.18 -0.81 -0.06 0.00 1.00 0.00 0.00 64.86 65.16 2qeh h ILE 134 Cb 0.33 0.51 -0.02 0.00 -0.74 0.00 0.00 36.82 36.90 2qeh h ILE 134 CO 0.00 0.32 0.08 -0.03 0.00 0.00 0.00 178.15 178.52 2qeh h MET 135 N 0.97 0.85 -0.61 2.37 4.05 -0.68 -0.91 114.93 120.97 2qeh h MET 135 Ca 0.22 -0.23 -0.02 0.00 -0.28 0.00 0.00 59.70 59.38 2qeh h MET 135 Cb 0.25 -0.10 -0.03 0.00 -0.80 0.00 0.00 31.60 30.93 2qeh h MET 135 CO -0.01 0.85 0.28 0.87 0.23 0.00 0.00 176.91 179.13 2qeh h LYS 136 N 0.73 0.88 -0.25 0.39 1.57 -1.05 -1.10 116.57 117.74 2qeh h LYS 136 Ca 0.15 -0.14 -0.12 0.00 -1.87 0.00 0.00 60.65 58.68 2qeh h LYS 136 Cb 0.41 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 32.55 2qeh h LYS 136 CO 0.01 0.72 -0.36 -0.44 -0.57 0.00 0.00 179.45 178.81 2qeh h ASP 137 N 0.83 0.57 -0.48 0.86 3.32 -1.08 -0.52 116.42 119.92 2qeh h ASP 137 Ca 0.21 -0.24 -0.03 0.00 0.02 0.00 0.00 57.03 56.99 2qeh h ASP 137 Cb 0.13 -0.16 -0.02 0.00 0.22 0.00 0.00 39.33 39.50 2qeh h ASP 137 CO -0.02 0.88 0.19 0.22 -1.72 0.00 0.00 179.24 178.79 2qeh h TYR 138 N 0.46 0.73 -0.50 4.55 5.03 -0.75 -2.60 116.97 123.89 2qeh h TYR 138 Ca 0.05 -0.06 -0.11 0.00 2.58 0.00 0.00 58.73 61.19 2qeh h TYR 138 Cb 0.84 -0.22 -0.02 0.00 1.55 0.00 0.00 36.73 38.89 2qeh h TYR 138 CO 0.03 0.62 -0.12 -0.44 -1.32 0.00 0.00 178.16 176.94 2qeh h ASP 139 N 0.63 0.94 -0.32 -2.11 3.32 -1.08 -3.05 116.42 114.75 2qeh h ASP 139 Ca 0.16 -0.30 0.03 0.00 0.02 0.00 0.00 57.03 56.94 2qeh h ASP 139 Cb 0.20 -0.25 -0.02 0.00 0.22 0.00 0.00 39.33 39.48 2qeh h ASP 139 CO -0.01 1.06 0.21 0.50 -1.72 0.00 0.00 179.24 179.28 2qeh h LYS 140 N 0.84 0.29 0.00 3.56 3.64 -0.83 0.01 116.57 124.07 2qeh h LYS 140 Ca 0.13 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.50 2qeh h LYS 140 Cb 0.65 -0.06 0.00 0.00 -0.41 0.00 0.00 32.23 32.41 2qeh h LYS 140 CO 0.05 0.19 0.00 0.00 -2.27 0.00 0.00 179.45 177.42 2qeh h ALA 141 N 1.82 1.00 -0.62 5.00 0.00 -1.35 -2.18 119.26 122.93 2qeh h ALA 141 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.04 2qeh h ALA 141 Cb 0.16 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.95 2qeh h ALA 141 CO -0.03 0.00 0.00 1.28 0.00 0.00 0.00 179.25 180.50 2qeh n LEU 142 N -2.45 3.79 -0.08 0.00 4.77 -0.28 -4.93 117.00 117.81 2qeh n LEU 142 Ca 0.03 -1.85 -0.01 0.00 -0.03 0.00 0.00 56.01 54.16 2qeh n LEU 142 Cb 0.34 -0.41 -0.00 0.00 -2.33 0.00 0.00 43.42 41.01 2qeh n LEU 142 CO 0.26 0.91 -0.01 -3.20 -1.33 0.00 0.00 177.39 174.02 2qeh n ASN 143 N 1.58 -1.69 0.00 -1.43 5.15 -0.82 -5.01 115.26 113.04 2qeh n ASN 143 Ca 0.23 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 54.21 2qeh n ASN 143 Cb 0.61 -0.67 0.00 0.00 -0.53 0.00 0.00 39.78 39.20 2qeh n ASN 143 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66