#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qeu h THR 8 N 0.00 1.18 -0.80 0.00 1.03 -2.00 -2.17 112.91 110.16 2qeu h THR 8 Ca 0.00 -0.48 0.11 0.00 -0.01 0.00 0.00 66.41 66.03 2qeu h THR 8 Cb 0.00 0.45 -0.08 0.00 -1.07 0.00 0.00 68.15 67.45 2qeu h THR 8 CO 0.00 0.20 0.42 0.28 -0.01 0.00 0.00 175.52 176.41 2qeu h SER 9 N 0.78 0.55 0.02 0.00 0.02 -1.93 -1.56 113.55 111.42 2qeu h SER 9 Ca 0.20 0.07 -0.15 0.00 -0.84 0.00 0.00 61.79 61.06 2qeu h SER 9 Cb 0.06 -0.03 -0.01 0.00 0.14 0.00 0.00 62.40 62.56 2qeu h SER 9 CO -0.03 0.28 -0.52 1.56 -1.14 0.00 0.00 176.83 176.99 2qeu h GLN 10 N 0.67 0.55 -0.44 3.45 1.08 -1.84 0.21 115.11 118.79 2qeu h GLN 10 Ca 0.41 -0.33 -0.04 0.00 -1.45 0.00 0.00 58.65 57.24 2qeu h GLN 10 Cb 0.47 0.03 -0.02 0.00 -0.05 0.00 0.00 27.48 27.92 2qeu h GLN 10 CO -0.30 0.94 0.13 -0.44 -0.95 0.00 0.00 178.83 178.20 2qeu h ASP 11 N 0.43 0.65 -0.37 1.46 3.32 -0.96 -1.82 116.42 119.13 2qeu h ASP 11 Ca 0.01 -0.22 -0.13 0.00 0.02 0.00 0.00 57.03 56.72 2qeu h ASP 11 Cb 1.05 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 40.42 2qeu h ASP 11 CO 0.10 0.69 -0.27 0.40 -1.72 0.00 0.00 179.24 178.44 2qeu h ILE 12 N 0.57 1.28 -0.63 0.35 2.04 -1.09 -0.69 117.51 119.34 2qeu h ILE 12 Ca 0.14 -1.43 0.07 0.00 1.00 0.00 0.00 64.86 64.64 2qeu h ILE 12 Cb 0.28 1.38 -0.06 0.00 -0.74 0.00 0.00 36.82 37.68 2qeu h ILE 12 CO -0.00 0.48 0.32 -0.07 0.00 0.00 0.00 178.15 178.88 2qeu h LEU 13 N 0.65 0.44 -0.61 1.44 3.38 -0.91 -2.32 115.31 117.38 2qeu h LEU 13 Ca 0.07 0.04 -0.02 0.00 0.09 0.00 0.00 57.88 58.07 2qeu h LEU 13 Cb 0.85 -0.04 -0.03 0.00 0.09 0.00 0.00 40.66 41.53 2qeu h LEU 13 CO 0.07 0.28 0.31 0.50 0.09 0.00 0.00 178.44 179.70 2qeu h LYS 14 N 0.59 0.87 -0.72 1.13 3.64 -1.07 -1.40 116.57 119.61 2qeu h LYS 14 Ca 0.30 -0.12 0.06 0.00 -1.27 0.00 0.00 60.65 59.62 2qeu h LYS 14 Cb 0.24 -0.16 -0.06 0.00 -0.41 0.00 0.00 32.23 31.84 2qeu h LYS 14 CO -0.21 0.68 0.42 1.96 -2.27 0.00 0.00 179.45 180.03 2qeu h GLN 15 N 0.83 0.74 -0.03 1.90 4.20 -0.69 -2.82 115.11 119.25 2qeu h GLN 15 Ca 0.21 -0.04 0.00 0.00 0.06 0.00 0.00 58.65 58.88 2qeu h GLN 15 Cb 0.09 -0.17 0.00 0.00 0.30 0.00 0.00 27.48 27.70 2qeu h GLN 15 CO -0.03 0.49 0.00 0.72 -0.67 0.00 0.00 178.83 179.34 2qeu n HIS 16 N -4.74 0.02 -0.36 2.96 8.25 -0.91 -4.40 115.22 116.03 2qeu n HIS 16 Ca 0.10 -0.01 -0.01 0.00 -0.26 0.00 0.00 57.72 57.53 2qeu n HIS 16 Cb 0.17 0.00 0.12 0.00 1.12 0.00 0.00 29.99 31.40 2qeu n HIS 16 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2qeu h ALA 17 N 4.52 1.26 -0.50 -1.41 0.00 -0.98 -2.30 119.26 119.84 2qeu h ALA 17 Ca 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.86 2qeu h ALA 17 Cb 0.75 -0.37 -0.02 0.00 0.00 0.00 0.00 17.79 18.15 2qeu h ALA 17 CO 0.00 0.57 0.32 0.00 0.00 0.00 0.00 179.25 180.15 2qeu h ALA 18 N 1.38 0.64 0.15 0.00 0.00 -1.78 0.98 119.26 120.62 2qeu h ALA 18 Ca 0.37 -0.04 0.01 0.00 0.00 0.00 0.00 54.91 55.25 2qeu h ALA 18 Cb -0.08 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.48 2qeu h ALA 18 CO -0.10 0.10 -0.23 1.25 0.00 0.00 0.00 179.25 180.27 2qeu h HIS 19 N 0.68 -0.60 -0.32 0.00 6.17 -1.73 -1.94 115.15 117.40 2qeu h HIS 19 Ca 0.18 0.01 -0.17 0.00 0.71 0.00 0.00 60.37 61.10 2qeu h HIS 19 Cb -0.06 0.24 -0.00 0.00 2.52 0.00 0.00 27.41 30.11 2qeu h HIS 19 CO -0.04 -0.33 -0.45 1.88 0.71 0.00 0.00 177.93 179.70 2qeu h TYR 20 N -0.44 1.08 -0.54 5.26 0.05 -1.14 0.11 116.97 121.34 2qeu h TYR 20 Ca 0.02 -0.36 0.02 0.00 0.05 0.00 0.00 58.73 58.46 2qeu h TYR 20 Cb 0.45 -0.21 -0.03 0.00 1.01 0.00 0.00 36.73 37.94 2qeu h TYR 20 CO -0.19 1.18 0.33 1.49 -1.05 0.00 0.00 178.16 179.92 2qeu h GLU 21 N 0.68 0.65 0.00 4.88 4.22 -0.79 -1.34 114.58 122.88 2qeu h GLU 21 Ca 0.04 -0.04 -0.21 0.00 0.08 0.00 0.00 59.36 59.22 2qeu h GLU 21 Cb 1.06 -0.15 -0.03 0.00 0.50 0.00 0.00 28.75 30.13 2qeu h GLU 21 CO 0.11 0.43 -1.06 0.66 -2.18 0.00 0.00 179.01 176.97 2qeu h SER 22 N 0.67 0.00 0.28 1.04 4.64 -1.15 -1.39 113.55 117.63 2qeu h SER 22 Ca 0.21 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.53 2qeu h SER 22 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 2qeu h SER 22 CO -0.09 0.98 -0.21 -0.67 -0.87 0.00 0.00 176.83 175.97 2qeu n ASP 23 N -3.31 0.85 0.00 4.97 2.03 0.36 -5.09 116.55 116.36 2qeu n ASP 23 Ca -0.02 -0.79 0.00 0.00 0.52 0.00 0.00 54.79 54.50 2qeu n ASP 23 Cb 0.94 0.07 0.00 0.00 -0.72 0.00 0.00 41.12 41.41 2qeu n ASP 23 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2qeu n GLY 25 N 1.32 0.95 0.00 0.27 0.00 -0.51 -4.72 105.19 102.51 2qeu n GLY 25 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.15 2qeu n GLY 25 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qeu n GLY 26 N 0.00 0.39 3.39 -0.02 0.00 -1.18 -4.86 105.19 102.92 2qeu n GLY 26 Ca 0.00 -1.00 -0.39 0.00 0.00 0.00 0.00 46.02 44.63 2qeu n GLY 26 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2qeu s LEU 27 N 0.00 4.20 0.47 0.99 2.96 -1.26 -4.60 118.68 121.43 2qeu s LEU 27 Ca 0.00 -0.72 -0.23 0.00 -0.22 0.00 0.00 54.13 52.96 2qeu s LEU 27 Cb 0.00 -1.97 -0.09 0.00 0.50 0.00 0.00 46.19 44.64 2qeu s LEU 27 CO 0.00 -0.25 1.13 -2.65 -1.32 0.00 0.00 176.35 173.27 2qeu n PRO 28 N 4.94 1.51 -0.29 0.98 -0.02 -1.26 -4.62 135.00 136.24 2qeu n PRO 28 Ca -0.13 0.55 0.10 0.00 -2.02 0.00 0.00 63.50 62.00 2qeu n PRO 28 Cb 0.48 -2.25 0.26 0.00 -0.02 0.00 0.00 33.50 31.97 2qeu n PRO 28 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 2qeu h GLU 29 N 1.53 0.43 -0.95 -0.52 4.81 -1.99 0.18 114.58 118.07 2qeu h GLU 29 Ca -0.47 -0.03 0.11 0.00 -0.13 0.00 0.00 59.36 58.84 2qeu h GLU 29 Cb 1.32 -0.10 -0.07 0.00 0.63 0.00 0.00 28.75 30.53 2qeu h GLU 29 CO 0.57 0.29 0.61 0.00 -0.73 0.00 0.00 179.01 179.74 2qeu h ALA 30 N 1.65 1.59 0.00 2.92 0.00 -1.99 -1.31 119.26 122.11 2qeu h ALA 30 Ca 0.51 0.01 -0.23 0.00 0.00 0.00 0.00 54.91 55.20 2qeu h ALA 30 Cb 0.89 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 18.43 2qeu h ALA 30 CO -0.47 0.20 -1.18 -0.07 0.00 0.00 0.00 179.25 177.72 2qeu h LEU 31 N 0.94 0.00 -0.69 0.00 3.38 -1.07 -1.45 115.31 116.42 2qeu h LEU 31 Ca 0.45 0.00 0.04 0.00 0.09 0.00 0.00 57.88 58.46 2qeu h LEU 31 Cb 0.45 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.16 2qeu h LEU 31 CO -0.22 0.97 0.42 0.58 0.09 0.00 0.00 178.44 180.29 2qeu h VAL 32 N 0.00 1.06 -0.08 1.22 2.07 -0.49 0.35 116.25 120.39 2qeu h VAL 32 Ca -0.09 -0.28 -0.17 0.00 0.82 0.00 0.00 66.70 66.98 2qeu h VAL 32 Cb 1.82 0.18 -0.01 0.00 -1.52 0.00 0.00 31.29 31.76 2qeu h VAL 32 CO 0.11 0.15 -0.68 1.56 0.02 0.00 0.00 177.57 178.73 2qeu h GLN 33 N 0.81 0.35 -0.44 1.57 1.08 -1.18 -2.36 115.11 114.94 2qeu h GLN 33 Ca 0.28 -0.27 -0.01 0.00 -1.45 0.00 0.00 58.65 57.20 2qeu h GLN 33 Cb 0.06 0.05 -0.02 0.00 -0.05 0.00 0.00 27.48 27.52 2qeu h GLN 33 CO -0.12 0.90 0.22 1.25 -0.95 0.00 0.00 178.83 180.12 2qeu h LEU 34 N 0.24 0.56 -1.04 1.46 5.85 -0.90 -1.58 115.31 119.91 2qeu h LEU 34 Ca -0.02 -0.12 0.03 0.00 0.84 0.00 0.00 57.88 58.61 2qeu h LEU 34 Cb 1.23 -0.14 -0.05 0.00 0.37 0.00 0.00 40.66 42.06 2qeu h LEU 34 CO 0.11 0.52 0.64 0.00 -0.34 0.00 0.00 178.44 179.38 2qeu h ALA 35 N 1.07 1.34 0.09 1.25 0.00 -0.67 0.50 119.26 122.84 2qeu h ALA 35 Ca 0.15 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 55.00 2qeu h ALA 35 Cb 0.10 -0.37 0.00 0.00 0.00 0.00 0.00 17.79 17.52 2qeu h ALA 35 CO -0.02 0.58 -0.05 1.49 0.00 0.00 0.00 179.25 181.25 2qeu h GLU 36 N 1.27 -0.12 0.00 0.00 4.81 -1.24 -3.20 114.58 116.09 2qeu h GLU 36 Ca 0.38 0.01 -0.05 0.00 -0.13 0.00 0.00 59.36 59.57 2qeu h GLU 36 Cb -0.05 0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.35 2qeu h GLU 36 CO -0.10 0.19 -1.20 0.66 -0.73 0.00 0.00 179.01 177.83 2qeu n TYR 37 N -5.00 0.90 -3.10 0.92 4.01 -0.61 -4.60 117.16 109.68 2qeu n TYR 37 Ca -0.08 0.27 -0.17 0.00 -0.16 0.00 0.00 57.90 57.75 2qeu n TYR 37 Cb 0.20 -0.96 -0.02 0.00 -0.31 0.00 0.00 39.34 38.25 2qeu n TYR 37 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2qeu n ALA 38 N -2.25 1.48 -0.25 -0.72 0.00 0.17 -5.01 120.51 113.93 2qeu n ALA 38 Ca -0.03 -3.00 0.05 0.00 0.00 0.00 0.00 53.44 50.46 2qeu n ALA 38 Cb 0.63 -0.96 0.29 0.00 0.00 0.00 0.00 19.45 19.41 2qeu n ALA 38 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 2qeu h PRO 39 N 3.25 0.89 -0.56 0.00 0.13 -1.61 0.03 132.00 134.13 2qeu h PRO 39 Ca 0.05 -0.05 -0.11 0.00 -0.87 0.00 0.00 66.00 65.01 2qeu h PRO 39 Cb 0.98 -0.20 -0.02 0.00 0.13 0.00 0.00 31.00 31.89 2qeu h PRO 39 CO 0.43 0.59 -0.09 0.93 -0.23 0.00 0.00 178.00 179.63 2qeu h GLU 40 N 0.92 1.05 -0.14 0.86 5.08 -1.91 0.57 114.58 121.01 2qeu h GLU 40 Ca 0.35 -0.38 -0.00 0.00 -1.00 0.00 0.00 59.36 58.33 2qeu h GLU 40 Cb 0.21 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.38 2qeu h GLU 40 CO -0.12 1.07 0.07 1.15 -1.00 0.00 0.00 179.01 180.18 2qeu h THR 41 N 0.93 1.11 -0.71 1.13 2.02 -1.78 -1.95 112.91 113.66 2qeu h THR 41 Ca 0.15 -0.30 0.08 0.00 0.77 0.00 0.00 66.41 67.11 2qeu h THR 41 Cb 0.66 1.05 -0.06 0.00 -1.74 0.00 0.00 68.15 68.05 2qeu h THR 41 CO 0.05 0.10 0.39 0.15 0.37 0.00 0.00 175.52 176.57 2qeu h PHE 42 N 0.12 0.70 0.47 3.16 3.57 -0.83 0.11 116.94 124.23 2qeu h PHE 42 Ca 0.05 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.56 2qeu h PHE 42 Cb 0.09 -0.21 -0.01 0.00 2.79 0.00 0.00 35.95 38.61 2qeu h PHE 42 CO -0.04 0.30 -0.31 0.22 -2.23 0.00 0.00 178.31 176.25 2qeu h ASP 43 N 0.68 -0.80 -0.50 0.41 3.58 -0.79 0.63 116.42 119.63 2qeu h ASP 43 Ca 0.34 0.05 -0.04 0.00 0.42 0.00 0.00 57.03 57.80 2qeu h ASP 43 Cb 0.28 0.24 -0.02 0.00 1.72 0.00 0.00 39.33 41.55 2qeu h ASP 43 CO -0.22 -0.48 0.16 0.00 -2.88 0.00 0.00 179.24 175.81 2qeu h ALA 44 N -0.30 0.65 -0.64 -0.78 0.00 -1.07 -0.89 119.26 116.22 2qeu h ALA 44 Ca -0.05 -0.18 0.04 0.00 0.00 0.00 0.00 54.91 54.72 2qeu h ALA 44 Cb 0.63 -0.19 -0.05 0.00 0.00 0.00 0.00 17.79 18.18 2qeu h ALA 44 CO 0.03 0.30 0.38 -0.92 0.00 0.00 0.00 179.25 179.04 2qeu h TYR 45 N 0.67 0.71 -0.50 0.00 3.20 -0.74 -2.41 116.97 117.90 2qeu h TYR 45 Ca 0.16 0.02 -0.07 0.00 3.14 0.00 0.00 58.73 61.98 2qeu h TYR 45 Cb 0.26 -0.23 -0.02 0.00 1.54 0.00 0.00 36.73 38.28 2qeu h TYR 45 CO 0.01 0.38 0.03 0.77 -1.64 0.00 0.00 178.16 177.71 2qeu h SER 46 N 0.74 0.78 0.00 -2.11 0.02 -0.34 0.67 113.55 113.31 2qeu h SER 46 Ca 0.27 -0.18 0.00 0.00 -0.84 0.00 0.00 61.79 61.04 2qeu h SER 46 Cb 0.08 -0.21 0.00 0.00 0.14 0.00 0.00 62.40 62.41 2qeu h SER 46 CO -0.13 0.83 0.00 0.54 -1.14 0.00 0.00 176.83 176.93 2qeu n ARG 47 N -4.22 0.10 0.00 3.45 1.74 -0.39 -0.69 116.66 116.64 2qeu n ARG 47 Ca 0.03 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.11 2qeu n ARG 47 Cb 0.29 -1.19 0.00 0.00 -1.02 0.00 0.00 32.46 30.53 2qeu n ARG 47 CO 0.00 0.00 0.00 -2.13 -1.52 0.00 0.00 177.63 173.98 2qeu n ARG 49 N 0.63 0.00 -0.19 5.56 0.63 0.23 -2.20 116.66 121.32 2qeu n ARG 49 Ca 0.00 0.00 -0.06 0.00 -0.92 0.00 0.00 57.85 56.87 2qeu n ARG 49 Cb 0.03 0.00 0.04 0.00 0.45 0.00 0.00 32.46 32.98 2qeu n ARG 49 CO 0.00 0.00 0.00 1.15 -2.51 0.00 0.00 177.63 176.27 2qeu h THR 50 N 0.00 1.10 0.00 5.15 2.02 -1.16 -0.18 112.91 119.85 2qeu h THR 50 Ca 0.00 -0.24 0.00 0.00 0.77 0.00 0.00 66.41 66.94 2qeu h THR 50 Cb 0.00 0.34 0.00 0.00 -1.74 0.00 0.00 68.15 66.75 2qeu h THR 50 CO 0.00 0.13 0.00 1.07 0.37 0.00 0.00 175.52 177.09 2qeu n THR 51 N -4.74 0.55 0.00 3.16 5.66 -0.94 -2.57 114.28 115.41 2qeu n THR 51 Ca 0.04 -0.01 0.00 0.00 -3.05 0.00 0.00 64.05 61.03 2qeu n THR 51 Cb 0.05 -0.78 0.00 0.00 -1.55 0.00 0.00 70.33 68.04 2qeu n THR 51 CO 0.00 0.00 0.00 0.18 -3.05 0.00 0.00 175.07 172.20 2qeu n LEU 53 N 0.77 0.00 -4.68 1.09 4.77 -0.08 -4.95 117.00 113.92 2qeu n LEU 53 Ca 0.00 0.00 -0.43 0.00 -0.03 0.00 0.00 56.01 55.55 2qeu n LEU 53 Cb 0.27 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.35 2qeu n LEU 53 CO 0.00 0.00 0.84 1.17 -1.33 0.00 0.00 177.39 178.07 2qeu n LYS 54 N 0.00 1.97 -1.89 3.23 4.81 -1.06 -4.99 118.16 120.22 2qeu n LYS 54 Ca 0.00 0.69 -0.30 0.00 -0.87 0.00 0.00 58.31 57.83 2qeu n LYS 54 Cb 0.00 -2.25 0.03 0.00 0.02 0.00 0.00 35.03 32.83 2qeu n LYS 54 CO 0.00 0.00 0.00 -1.54 1.17 0.00 0.00 177.40 177.03 2qeu s SER 55 N -0.38 5.82 0.27 3.14 1.04 -1.26 -4.58 113.70 117.75 2qeu s SER 55 Ca 0.56 1.25 -0.01 0.00 0.48 0.00 0.00 55.95 58.24 2qeu s SER 55 Cb -0.58 -2.18 0.47 0.00 0.10 0.00 0.00 66.02 63.83 2qeu s SER 55 CO 0.61 -1.11 1.85 -0.33 0.98 0.00 0.00 173.24 175.24 2qeu h GLU 56 N -0.49 1.02 -0.42 4.02 5.08 -1.84 -1.21 114.58 120.75 2qeu h GLU 56 Ca -0.45 -0.06 0.08 0.00 -1.00 0.00 0.00 59.36 57.93 2qeu h GLU 56 Cb 1.22 -0.23 -0.02 0.00 0.50 0.00 0.00 28.75 30.22 2qeu h GLU 56 CO 0.63 0.68 0.29 0.00 -1.00 0.00 0.00 179.01 179.60 2qeu h ALA 57 N 1.49 2.09 -0.39 3.43 0.00 -1.94 0.20 119.26 124.15 2qeu h ALA 57 Ca 0.46 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.35 2qeu h ALA 57 Cb 0.33 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.08 2qeu h ALA 57 CO -0.22 -0.19 0.00 -0.25 0.00 0.00 0.00 179.25 178.59 2qeu n ASP 58 N -4.46 2.25 0.00 0.00 8.00 -0.73 -4.92 116.55 116.68 2qeu n ASP 58 Ca 0.06 -2.04 0.00 0.00 0.71 0.00 0.00 54.79 53.52 2qeu n ASP 58 Cb 0.33 -0.29 0.00 0.00 -0.02 0.00 0.00 41.12 41.13 2qeu n ASP 58 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2qeu n GLY 59 N 1.06 0.69 3.74 0.44 0.00 0.70 -4.88 105.19 106.95 2qeu n GLY 59 Ca 0.13 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.79 2qeu n GLY 59 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qeu s ALA 60 N -2.00 2.43 -0.17 4.61 0.00 -0.54 -4.95 121.76 121.14 2qeu s ALA 60 Ca 0.00 1.04 0.11 0.00 0.00 0.00 0.00 51.96 53.11 2qeu s ALA 60 Cb 0.00 -3.48 -0.23 0.00 0.00 0.00 0.00 23.12 19.41 2qeu s ALA 60 CO 0.00 -1.41 0.16 1.63 0.00 0.00 0.00 175.76 176.14 2qeu n LYS 61 N -1.88 0.68 -3.02 0.00 4.76 -1.26 -4.26 118.16 113.18 2qeu n LYS 61 Ca 0.14 0.12 -0.41 0.00 -2.87 0.00 0.00 58.31 55.29 2qeu n LYS 61 Cb 0.49 -1.60 -0.05 0.00 -1.84 0.00 0.00 35.03 32.03 2qeu n LYS 61 CO 0.00 0.00 0.00 -1.17 -1.37 0.00 0.00 177.40 174.86 2qeu s LEU 62 N -6.01 4.11 0.33 -0.35 2.96 -1.26 -5.02 118.68 113.44 2qeu s LEU 62 Ca -0.16 0.91 -0.28 0.00 -0.22 0.00 0.00 54.13 54.38 2qeu s LEU 62 Cb 0.07 -3.01 -0.13 0.00 0.50 0.00 0.00 46.19 43.62 2qeu s LEU 62 CO 0.77 -0.38 1.16 -2.65 -1.32 0.00 0.00 176.35 173.93 2qeu n PRO 63 N 5.50 1.77 -0.34 0.98 -0.02 -1.26 -4.70 135.00 136.93 2qeu n PRO 63 Ca 0.02 0.62 0.01 0.00 -2.02 0.00 0.00 63.50 62.13 2qeu n PRO 63 Cb 0.49 -2.13 0.18 0.00 -0.02 0.00 0.00 33.50 32.02 2qeu n PRO 63 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 2qeu h LEU 64 N 2.24 1.02 -1.50 2.45 5.85 -1.91 0.27 115.31 123.74 2qeu h LEU 64 Ca -0.44 -0.01 0.05 0.00 0.84 0.00 0.00 57.88 58.33 2qeu h LEU 64 Cb 1.31 -0.23 -0.04 0.00 0.37 0.00 0.00 40.66 42.07 2qeu h LEU 64 CO 0.61 0.69 0.40 0.07 -0.34 0.00 0.00 178.44 179.87 2qeu h LYS 65 N 1.18 0.60 0.10 1.25 2.10 -1.82 -0.93 116.57 119.05 2qeu h LYS 65 Ca 0.39 -0.04 -0.27 0.00 -2.00 0.00 0.00 60.65 58.73 2qeu h LYS 65 Cb 0.05 -0.14 -0.01 0.00 -0.90 0.00 0.00 32.23 31.24 2qeu h LYS 65 CO -0.13 0.40 -1.29 1.88 -2.00 0.00 0.00 179.45 178.31 2qeu h TYR 66 N 0.62 0.39 -0.34 0.07 0.05 -1.36 -1.51 116.97 114.90 2qeu h TYR 66 Ca 0.26 -0.29 0.07 0.00 0.05 0.00 0.00 58.73 58.82 2qeu h TYR 66 Cb 0.22 -0.02 -0.06 0.00 1.01 0.00 0.00 36.73 37.89 2qeu h TYR 66 CO -0.00 1.25 -0.07 0.87 -1.05 0.00 0.00 178.16 179.16 2qeu h LYS 67 N 0.06 0.02 -0.18 4.88 1.57 -0.77 -1.38 116.57 120.76 2qeu h LYS 67 Ca -0.15 -0.00 -0.09 0.00 -1.87 0.00 0.00 60.65 58.54 2qeu h LYS 67 Cb 1.95 -0.00 -0.01 0.00 0.08 0.00 0.00 32.23 34.25 2qeu h LYS 67 CO 0.18 0.01 -0.29 0.45 -0.57 0.00 0.00 179.45 179.23 2qeu h HIS 68 N 0.02 0.39 -0.74 -1.35 3.86 -1.19 -2.46 115.15 113.67 2qeu h HIS 68 Ca 0.16 -0.08 -0.02 0.00 -1.16 0.00 0.00 60.37 59.27 2qeu h HIS 68 Cb 0.25 -0.09 -0.03 0.00 1.06 0.00 0.00 27.41 28.59 2qeu h HIS 68 CO -0.30 0.60 0.39 1.25 0.86 0.00 0.00 177.93 180.73 2qeu h LEU 69 N 0.31 0.95 -0.58 2.43 5.85 -1.00 0.73 115.31 124.00 2qeu h LEU 69 Ca 0.04 -0.11 0.01 0.00 0.84 0.00 0.00 57.88 58.66 2qeu h LEU 69 Cb 0.67 -0.24 -0.03 0.00 0.37 0.00 0.00 40.66 41.42 2qeu h LEU 69 CO 0.05 0.79 0.38 0.40 -0.34 0.00 0.00 178.44 179.72 2qeu h ILE 70 N 1.03 1.13 -0.16 4.05 2.04 -0.93 -1.52 117.51 123.15 2qeu h ILE 70 Ca 0.26 -0.26 -0.11 0.00 1.00 0.00 0.00 64.86 65.74 2qeu h ILE 70 Cb 0.07 0.29 -0.01 0.00 -0.74 0.00 0.00 36.82 36.43 2qeu h ILE 70 CO -0.04 0.14 -0.40 -0.07 0.00 0.00 0.00 178.15 177.78 2qeu h LEU 71 N 0.77 0.37 -0.16 1.44 3.38 -0.97 -0.34 115.31 119.80 2qeu h LEU 71 Ca 0.22 -0.16 0.04 0.00 0.09 0.00 0.00 57.88 58.08 2qeu h LEU 71 Cb -0.06 -0.10 -0.05 0.00 0.09 0.00 0.00 40.66 40.54 2qeu h LEU 71 CO -0.06 0.74 -0.12 0.58 0.09 0.00 0.00 178.44 179.66 2qeu h VAL 72 N 0.30 0.64 -0.46 1.22 2.07 -0.33 0.88 116.25 120.57 2qeu h VAL 72 Ca 0.03 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.52 2qeu h VAL 72 Cb 0.83 0.64 -0.02 0.00 -1.52 0.00 0.00 31.29 31.23 2qeu h VAL 72 CO 0.07 0.00 0.16 0.58 0.02 0.00 0.00 177.57 178.40 2qeu h VAL 73 N -0.13 1.21 -0.86 2.57 2.07 -0.90 -0.29 116.25 119.92 2qeu h VAL 73 Ca 0.10 -0.69 -0.01 0.00 0.82 0.00 0.00 66.70 66.92 2qeu h VAL 73 Cb 0.28 0.80 -0.04 0.00 -1.52 0.00 0.00 31.29 30.81 2qeu h VAL 73 CO -0.24 0.25 0.48 -0.07 0.02 0.00 0.00 177.57 178.01 2qeu h LEU 74 N 0.60 1.06 -1.35 2.57 3.38 -0.90 -2.00 115.31 118.67 2qeu h LEU 74 Ca 0.15 -0.09 -0.07 0.00 0.09 0.00 0.00 57.88 57.97 2qeu h LEU 74 Cb 0.23 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.70 2qeu h LEU 74 CO -0.01 0.84 -0.31 0.44 0.09 0.00 0.00 178.44 179.50 2qeu h ASP 75 N 1.19 0.00 -0.11 -0.43 3.32 -0.39 -0.71 116.42 119.29 2qeu h ASP 75 Ca 0.30 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.35 2qeu h ASP 75 Cb 0.01 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.55 2qeu h ASP 75 CO -0.05 0.31 0.04 0.00 -1.72 0.00 0.00 179.24 177.82 2qeu h ALA 76 N 1.69 0.15 0.00 3.45 0.00 -0.40 -0.17 119.26 123.98 2qeu h ALA 76 Ca -0.00 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.79 2qeu h ALA 76 Cb 0.62 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.37 2qeu h ALA 76 CO 0.04 -0.24 0.00 -0.84 0.00 0.00 0.00 179.25 178.21 2qeu h ILE 77 N 0.01 0.00 -0.01 0.00 3.07 -1.06 -2.86 117.51 116.66 2qeu h ILE 77 Ca 0.04 -0.74 0.00 0.00 1.55 0.00 0.00 64.86 65.71 2qeu h ILE 77 Cb 0.21 1.72 0.00 0.00 -0.27 0.00 0.00 36.82 38.47 2qeu h ILE 77 CO -0.00 0.00 -0.31 -1.14 -1.05 0.00 0.00 178.15 175.64 2qeu n ARG 78 N -2.85 0.65 -3.59 0.16 3.00 -0.30 -4.98 116.66 108.75 2qeu n ARG 78 Ca 0.04 -0.38 -0.26 0.00 -0.00 0.00 0.00 57.85 57.24 2qeu n ARG 78 Cb 0.44 -1.49 0.05 0.00 0.00 0.00 0.00 32.46 31.46 2qeu n ARG 78 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.63 177.38 2qeu n ASP 79 N -0.84 -4.92 -4.03 6.15 8.00 -0.33 -4.97 116.55 115.61 2qeu n ASP 79 Ca 0.11 -0.92 -0.34 0.00 0.71 0.00 0.00 54.79 54.35 2qeu n ASP 79 Cb 0.35 -3.91 -0.11 0.00 -0.02 0.00 0.00 41.12 37.43 2qeu n ASP 79 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 2qeu s GLU 80 N -5.61 2.43 0.40 -1.24 2.02 -0.22 -4.96 118.70 111.52 2qeu s GLU 80 Ca 0.39 -2.70 0.20 0.00 0.02 0.00 0.00 54.97 52.88 2qeu s GLU 80 Cb -0.11 -3.59 0.82 0.00 0.10 0.00 0.00 34.13 31.34 2qeu s GLU 80 CO 0.83 -1.17 1.80 -1.00 0.02 0.00 0.00 175.26 175.73 2qeu h PRO 81 N 6.62 0.00 -0.01 0.39 0.13 -1.93 0.27 132.00 137.47 2qeu h PRO 81 Ca -0.01 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 65.11 2qeu h PRO 81 Cb 0.90 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.03 2qeu h PRO 81 CO 0.72 0.32 -0.06 0.82 -0.23 0.00 0.00 178.00 179.57 2qeu h ILE 82 N 0.00 1.53 -0.71 -3.56 1.08 -1.98 -3.14 117.51 110.74 2qeu h ILE 82 Ca -0.00 -1.65 0.07 0.00 -0.39 0.00 0.00 64.86 62.90 2qeu h ILE 82 Cb 0.79 2.61 -0.06 0.00 -3.07 0.00 0.00 36.82 37.09 2qeu h ILE 82 CO 0.04 0.43 0.38 1.23 -0.69 0.00 0.00 178.15 179.55 2qeu h GLY 83 N -0.61 1.05 1.04 5.37 0.00 -1.96 -1.29 103.07 106.68 2qeu h GLY 83 Ca -0.00 -0.26 -0.02 0.00 0.00 0.00 0.00 47.33 47.05 2qeu h GLY 83 CO 0.01 0.12 0.47 1.19 0.00 0.00 0.00 176.54 178.33 2qeu h ILE 84 N 0.68 1.26 -0.36 2.60 2.10 -0.99 0.71 117.51 123.51 2qeu h ILE 84 Ca 0.33 -0.67 -0.09 0.00 1.08 0.00 0.00 64.86 65.52 2qeu h ILE 84 Cb 0.27 0.08 -0.01 0.00 -1.09 0.00 0.00 36.82 36.07 2qeu h ILE 84 CO -0.22 0.30 -0.11 0.58 -1.08 0.00 0.00 178.15 177.62 2qeu h VAL 85 N 1.24 1.28 -0.72 2.19 2.07 -1.43 -0.58 116.25 120.31 2qeu h VAL 85 Ca 0.31 -1.20 0.01 0.00 0.82 0.00 0.00 66.70 66.64 2qeu h VAL 85 Cb 0.05 1.31 -0.04 0.00 -1.52 0.00 0.00 31.29 31.10 2qeu h VAL 85 CO -0.05 0.39 0.48 0.78 0.02 0.00 0.00 177.57 179.19 2qeu h ASN 86 N 0.50 0.83 0.51 0.57 2.35 -0.71 -0.29 115.58 119.34 2qeu h ASN 86 Ca 0.09 -0.02 -0.16 0.00 -0.55 0.00 0.00 56.30 55.66 2qeu h ASN 86 Cb 0.63 -0.21 -0.01 0.00 0.05 0.00 0.00 38.32 38.78 2qeu h ASN 86 CO 0.04 0.60 -0.69 0.45 -1.65 0.00 0.00 177.43 176.18 2qeu h HIS 87 N 0.98 0.21 -0.31 1.19 3.86 -0.83 -1.02 115.15 119.23 2qeu h HIS 87 Ca 0.26 -0.09 -0.04 0.00 -1.16 0.00 0.00 60.37 59.34 2qeu h HIS 87 Cb -0.11 -0.03 -0.01 0.00 1.06 0.00 0.00 27.41 28.32 2qeu h HIS 87 CO -0.02 0.80 0.04 1.15 0.86 0.00 0.00 177.93 180.75 2qeu h THR 88 N 0.10 1.24 -0.29 2.45 2.02 -0.61 0.18 112.91 118.00 2qeu h THR 88 Ca -0.02 -0.84 0.02 0.00 0.77 0.00 0.00 66.41 66.35 2qeu h THR 88 Cb 1.23 1.20 -0.03 0.00 -1.74 0.00 0.00 68.15 68.81 2qeu h THR 88 CO 0.10 0.28 0.13 -0.09 0.37 0.00 0.00 175.52 176.31 2qeu h ARG 89 N 0.33 0.27 -0.51 6.66 2.43 -1.00 -2.59 114.38 119.98 2qeu h ARG 89 Ca 0.09 -0.02 -0.01 0.00 -0.81 0.00 0.00 59.98 59.23 2qeu h ARG 89 Cb 0.37 -0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 29.83 2qeu h ARG 89 CO 0.01 0.18 0.27 0.00 -1.51 0.00 0.00 179.97 178.93 2qeu h ALA 90 N 1.16 0.65 0.00 2.80 0.00 -1.08 0.94 119.26 123.73 2qeu h ALA 90 Ca 0.13 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.94 2qeu h ALA 90 Cb 0.06 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.65 2qeu h ALA 90 CO -0.10 0.17 0.00 0.00 0.00 0.00 0.00 179.25 179.32 2qeu n ALA 91 N -2.29 1.20 0.00 0.00 0.00 0.04 -1.66 120.51 117.79 2qeu n ALA 91 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.46 2qeu n ALA 91 Cb 0.09 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.54 2qeu n ALA 91 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2qeu n ASN 93 N 0.30 0.00 -0.78 0.00 3.02 0.32 -1.15 115.26 116.97 2qeu n ASN 93 Ca 0.00 0.00 0.10 0.00 -0.03 0.00 0.00 54.58 54.65 2qeu n ASN 93 Cb 0.02 0.00 0.30 0.00 -0.61 0.00 0.00 39.78 39.48 2qeu n ASN 93 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2qeu n ALA 94 N 0.00 2.48 0.00 5.41 0.00 -0.67 -4.93 120.51 122.79 2qeu n ALA 94 Ca 0.00 -0.71 0.00 0.00 0.00 0.00 0.00 53.44 52.73 2qeu n ALA 94 Cb 0.00 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.45 2qeu n ALA 94 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2qeu n GLY 95 N 1.26 0.95 3.74 0.00 0.00 -0.94 -4.37 105.19 105.83 2qeu n GLY 95 Ca 0.17 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.77 2qeu n GLY 95 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2qeu s LEU 96 N 0.00 4.38 0.53 0.99 2.96 -0.30 -5.01 118.68 122.23 2qeu s LEU 96 Ca 0.00 2.69 -0.09 0.00 -0.22 0.00 0.00 54.13 56.51 2qeu s LEU 96 Cb 0.00 -3.62 -0.04 0.00 0.50 0.00 0.00 46.19 43.02 2qeu s LEU 96 CO 0.00 -0.74 0.90 -0.94 -1.32 0.00 0.00 176.35 174.26 2qeu s SER 97 N 0.44 6.31 0.26 3.68 1.04 -1.26 -4.84 113.70 119.33 2qeu s SER 97 Ca 0.61 1.21 -0.06 0.00 0.48 0.00 0.00 55.95 58.19 2qeu s SER 97 Cb -0.43 -2.37 0.28 0.00 0.10 0.00 0.00 66.02 63.61 2qeu s SER 97 CO 0.43 -0.68 1.93 0.58 0.98 0.00 0.00 173.24 176.48 2qeu h VAL 98 N 0.16 1.25 -0.40 5.02 2.07 -1.95 -0.93 116.25 121.48 2qeu h VAL 98 Ca -0.46 -0.46 0.05 0.00 0.82 0.00 0.00 66.70 66.65 2qeu h VAL 98 Cb 1.19 -0.20 -0.04 0.00 -1.52 0.00 0.00 31.29 30.73 2qeu h VAL 98 CO 0.62 0.25 0.15 0.44 0.02 0.00 0.00 177.57 179.04 2qeu h ASP 99 N 1.34 0.16 -0.71 0.57 3.32 -2.00 -0.59 116.42 118.52 2qeu h ASP 99 Ca 0.36 0.04 0.00 0.00 0.02 0.00 0.00 57.03 57.46 2qeu h ASP 99 Cb -0.15 0.02 -0.03 0.00 0.22 0.00 0.00 39.33 39.39 2qeu h ASP 99 CO -0.08 0.13 0.46 -0.33 -1.72 0.00 0.00 179.24 177.70 2qeu h GLU 100 N 0.31 0.93 -0.13 3.56 5.08 -1.86 -0.69 114.58 121.78 2qeu h GLU 100 Ca 0.18 -0.06 0.03 0.00 -1.00 0.00 0.00 59.36 58.50 2qeu h GLU 100 Cb 0.16 -0.21 -0.02 0.00 0.50 0.00 0.00 28.75 29.18 2qeu h GLU 100 CO -0.18 0.63 -0.02 1.25 -1.00 0.00 0.00 179.01 179.68 2qeu h LEU 101 N 0.96 -0.10 -0.32 1.33 5.85 -0.58 -1.16 115.31 121.28 2qeu h LEU 101 Ca 0.26 0.04 -0.02 0.00 0.84 0.00 0.00 57.88 59.00 2qeu h LEU 101 Cb -0.09 0.07 -0.01 0.00 0.37 0.00 0.00 40.66 41.00 2qeu h LEU 101 CO -0.05 -0.03 0.13 0.40 -0.34 0.00 0.00 178.44 178.54 2qeu h ILE 102 N 0.01 1.18 -0.94 4.05 2.04 -0.87 -1.30 117.51 121.68 2qeu h ILE 102 Ca 0.06 -0.55 0.06 0.00 1.00 0.00 0.00 64.86 65.44 2qeu h ILE 102 Cb 0.09 0.94 -0.06 0.00 -0.74 0.00 0.00 36.82 37.05 2qeu h ILE 102 CO -0.13 0.19 0.60 -0.33 0.00 0.00 0.00 178.15 178.48 2qeu h GLU 103 N 0.37 1.06 -0.14 2.37 5.08 -0.93 -1.21 114.58 121.18 2qeu h GLU 103 Ca 0.11 -0.06 -0.06 0.00 -1.00 0.00 0.00 59.36 58.35 2qeu h GLU 103 Cb 0.18 -0.24 -0.00 0.00 0.50 0.00 0.00 28.75 29.19 2qeu h GLU 103 CO -0.01 0.70 -0.14 0.78 -1.00 0.00 0.00 179.01 179.34 2qeu h GLY 104 N 1.09 0.37 0.92 -3.84 0.00 -0.97 -3.24 103.07 97.40 2qeu h GLY 104 Ca 0.41 -0.38 0.03 0.00 0.00 0.00 0.00 47.33 47.38 2qeu h GLY 104 CO -0.17 0.35 0.65 -2.22 0.00 0.00 0.00 176.54 175.14 2qeu h ILE 105 N -0.04 1.20 -0.68 2.60 2.04 -0.97 -2.30 117.51 119.36 2qeu h ILE 105 Ca 0.02 -0.44 0.13 0.00 1.00 0.00 0.00 64.86 65.57 2qeu h ILE 105 Cb 0.67 -0.20 -0.04 0.00 -0.74 0.00 0.00 36.82 36.51 2qeu h ILE 105 CO 0.04 0.23 0.46 -0.07 0.00 0.00 0.00 178.15 178.81 2qeu h LEU 106 N 1.29 0.37 -2.18 1.44 3.38 -1.26 -1.56 115.31 116.78 2qeu h LEU 106 Ca 0.38 0.02 -0.01 0.00 0.09 0.00 0.00 57.88 58.36 2qeu h LEU 106 Cb -0.06 -0.06 -0.00 0.00 0.09 0.00 0.00 40.66 40.63 2qeu h LEU 106 CO -0.11 0.21 -0.03 -0.07 0.09 0.00 0.00 178.44 178.52 2qeu h LEU 107 N 0.40 0.00 -1.91 1.67 3.38 -1.45 -1.29 115.31 116.12 2qeu h LEU 107 Ca 0.33 0.00 0.19 0.00 0.09 0.00 0.00 57.88 58.49 2qeu h LEU 107 Cb 0.72 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.44 2qeu h LEU 107 CO -0.10 0.03 0.51 1.23 0.09 0.00 0.00 178.44 180.20 2qeu h GLY 108 N 0.15 0.16 1.27 0.83 0.00 -1.40 -2.05 103.07 102.04 2qeu h GLY 108 Ca -0.00 -0.04 -0.02 0.00 0.00 0.00 0.00 47.33 47.28 2qeu h GLY 108 CO 0.00 0.01 0.36 -2.22 0.00 0.00 0.00 176.54 174.69 2qeu h ILE 109 N 0.09 1.21 -0.52 2.60 2.04 -1.38 0.11 117.51 121.66 2qeu h ILE 109 Ca 0.35 -0.55 0.02 0.00 1.00 0.00 0.00 64.86 65.68 2qeu h ILE 109 Cb 1.25 0.30 -0.03 0.00 -0.74 0.00 0.00 36.82 37.61 2qeu h ILE 109 CO -0.03 0.24 0.33 0.40 0.00 0.00 0.00 178.15 179.08 2qeu h ILE 110 N 0.95 1.09 0.00 -0.67 2.04 -1.52 0.25 117.51 119.65 2qeu h ILE 110 Ca 0.24 -0.23 -0.24 0.00 1.00 0.00 0.00 64.86 65.63 2qeu h ILE 110 Cb 0.05 0.37 -0.04 0.00 -0.74 0.00 0.00 36.82 36.46 2qeu h ILE 110 CO -0.04 0.12 -1.60 0.52 0.00 0.00 0.00 178.15 177.15 2qeu n VAL 111 N -4.76 1.43 -0.54 1.67 0.31 -1.10 -4.54 118.33 110.79 2qeu n VAL 111 Ca 0.03 -0.75 0.00 0.00 -0.01 0.00 0.00 64.34 63.61 2qeu n VAL 111 Cb 0.05 -0.90 0.00 0.00 -0.91 0.00 0.00 33.84 32.08 2qeu n VAL 111 CO 0.00 0.00 0.00 -1.22 -1.32 0.00 0.00 176.83 174.29 2qeu n TYR 112 N -2.97 0.00 0.00 3.52 4.01 0.38 -5.14 117.16 116.96 2qeu n TYR 112 Ca -0.14 -0.17 0.00 0.00 -0.16 0.00 0.00 57.90 57.43 2qeu n TYR 112 Cb 0.97 -0.02 0.00 0.00 -0.31 0.00 0.00 39.34 39.98 2qeu n TYR 112 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2qeu n GLY 113 N -0.17 1.76 2.01 2.72 0.00 0.07 -4.12 105.19 107.47 2qeu n GLY 113 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.01 2qeu n GLY 113 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2qeu n PRO 115 N 0.00 0.00 0.27 1.61 -0.02 -1.26 -4.13 135.00 131.48 2qeu n PRO 115 Ca 0.00 0.00 0.11 0.00 -2.02 0.00 0.00 63.50 61.59 2qeu n PRO 115 Cb 0.00 0.00 0.75 0.00 -0.02 0.00 0.00 33.50 34.23 2qeu n PRO 115 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2qeu h ALA 116 N 0.00 1.73 0.02 3.55 0.00 -1.86 -1.86 119.26 120.84 2qeu h ALA 116 Ca 0.00 -0.02 -0.35 0.00 0.00 0.00 0.00 54.91 54.54 2qeu h ALA 116 Cb 0.00 -0.00 -0.05 0.00 0.00 0.00 0.00 17.79 17.74 2qeu h ALA 116 CO 0.00 0.03 -1.93 1.87 0.00 0.00 0.00 179.25 179.22 2qeu n TRP 117 N -4.18 0.62 -0.07 0.00 -0.00 -1.26 -3.36 117.44 109.19 2qeu n TRP 117 Ca -0.03 0.22 -0.15 0.00 -0.00 0.00 0.00 57.50 57.54 2qeu n TRP 117 Cb 0.11 -1.07 -0.05 0.00 -0.00 0.00 0.00 31.31 30.30 2qeu n TRP 117 CO 0.00 0.00 0.00 0.78 -0.00 0.00 0.00 177.69 178.47 2qeu h GLY 118 N -0.33 0.88 0.05 5.87 0.00 -1.86 0.46 103.07 108.15 2qeu h GLY 118 Ca -0.50 -1.06 -0.00 0.00 0.00 0.00 0.00 47.33 45.77 2qeu h GLY 118 CO -0.22 0.95 -0.03 0.50 0.00 0.00 0.00 176.54 177.74 2qeu h LYS 119 N 0.55 -0.07 0.00 4.80 1.57 -1.65 -3.45 116.57 118.32 2qeu h LYS 119 Ca 0.00 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.76 2qeu h LYS 119 Cb 1.15 0.02 -0.00 0.00 0.08 0.00 0.00 32.23 33.47 2qeu h LYS 119 CO 0.12 -0.05 -1.10 2.41 -0.57 0.00 0.00 179.45 180.26 2qeu n THR 120 N -2.68 0.10 -0.25 -0.16 -1.04 -1.26 -4.76 114.28 104.24 2qeu n THR 120 Ca -0.01 -0.05 0.01 0.00 -2.04 0.00 0.00 64.05 61.96 2qeu n THR 120 Cb 0.03 -0.72 0.13 0.00 -1.82 0.00 0.00 70.33 67.95 2qeu n THR 120 CO 0.00 0.00 0.00 1.23 -0.64 0.00 0.00 175.07 175.66 2qeu h GLY 121 N 0.19 1.07 2.00 3.41 0.00 -1.55 -0.91 103.07 107.29 2qeu h GLY 121 Ca -0.04 -0.25 -0.00 0.00 0.00 0.00 0.00 47.33 47.04 2qeu h GLY 121 CO -0.00 0.10 -0.01 0.07 0.00 0.00 0.00 176.54 176.70 2qeu h ARG 122 N 0.66 0.00 -0.54 4.80 0.11 -1.16 -1.64 114.38 116.62 2qeu h ARG 122 Ca 0.34 0.00 -0.03 0.00 0.10 0.00 0.00 59.98 60.39 2qeu h ARG 122 Cb 0.30 0.00 -0.03 0.00 1.11 0.00 0.00 29.97 31.36 2qeu h ARG 122 CO -0.24 0.01 0.19 0.87 0.10 0.00 0.00 179.97 180.91 2qeu h LYS 123 N 0.00 0.78 -0.74 0.08 1.57 -1.42 -1.45 116.57 115.39 2qeu h LYS 123 Ca -0.00 -0.12 0.00 0.00 -1.87 0.00 0.00 60.65 58.66 2qeu h LYS 123 Cb 0.30 -0.14 -0.04 0.00 0.08 0.00 0.00 32.23 32.44 2qeu h LYS 123 CO 0.00 0.66 0.47 0.00 -0.57 0.00 0.00 179.45 180.01 2qeu h ALA 124 N 1.45 1.44 -0.21 3.86 0.00 -1.36 -2.14 119.26 122.30 2qeu h ALA 124 Ca 0.18 -0.06 -0.05 0.00 0.00 0.00 0.00 54.91 54.98 2qeu h ALA 124 Cb 0.18 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 2qeu h ALA 124 CO -0.01 0.50 -0.08 0.28 0.00 0.00 0.00 179.25 179.94 2qeu h VAL 125 N 1.01 1.30 -0.42 0.00 2.07 -1.35 0.29 116.25 119.14 2qeu h VAL 125 Ca 0.27 -1.11 0.07 0.00 0.82 0.00 0.00 66.70 66.75 2qeu h VAL 125 Cb -0.09 1.59 -0.06 0.00 -1.52 0.00 0.00 31.29 31.21 2qeu h VAL 125 CO -0.06 0.34 0.08 0.74 0.02 0.00 0.00 177.57 178.69 2qeu h THR 126 N 0.13 0.77 0.01 2.57 2.02 -1.27 -0.77 112.91 116.37 2qeu h THR 126 Ca 0.05 -0.07 -0.00 0.00 0.77 0.00 0.00 66.41 67.16 2qeu h THR 126 Cb 0.55 0.55 0.00 0.00 -1.74 0.00 0.00 68.15 67.51 2qeu h THR 126 CO 0.03 0.04 -0.00 0.15 0.37 0.00 0.00 175.52 176.10 2qeu h PHE 127 N 0.21 -0.01 -0.75 3.16 3.57 -1.35 -3.11 116.94 118.65 2qeu h PHE 127 Ca 0.20 -0.00 0.10 0.00 3.53 0.00 0.00 57.97 61.80 2qeu h PHE 127 Cb 0.25 0.00 -0.07 0.00 2.79 0.00 0.00 35.95 38.92 2qeu h PHE 127 CO -0.21 -0.00 0.39 0.00 -2.23 0.00 0.00 178.31 176.25 2qeu h ALA 128 N 0.97 1.05 -0.47 2.41 0.00 -0.34 0.12 119.26 123.00 2qeu h ALA 128 Ca -0.00 0.05 -0.07 0.00 0.00 0.00 0.00 54.91 54.89 2qeu h ALA 128 Cb 0.01 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 2qeu h ALA 128 CO 0.00 -0.02 0.00 0.28 0.00 0.00 0.00 179.25 179.52 2qeu h VAL 129 N 0.64 1.24 -0.09 0.00 2.07 -1.10 0.15 116.25 119.16 2qeu h VAL 129 Ca 0.37 -0.99 -0.09 0.00 0.82 0.00 0.00 66.70 66.81 2qeu h VAL 129 Cb 0.39 0.87 0.00 0.00 -1.52 0.00 0.00 31.29 31.04 2qeu h VAL 129 CO -0.27 0.35 -0.31 -0.33 0.02 0.00 0.00 177.57 177.02 2qeu h GLU 130 N 0.73 0.37 -0.24 1.57 4.39 -1.26 -3.23 114.58 116.90 2qeu h GLU 130 Ca 0.14 -0.28 -0.03 0.00 0.34 0.00 0.00 59.36 59.54 2qeu h GLU 130 Cb 0.44 0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 29.13 2qeu h GLU 130 CO 0.02 0.90 0.03 0.35 -1.16 0.00 0.00 179.01 179.16 2qeu h PHE 131 N -0.10 0.35 -0.84 4.33 3.57 -0.57 -1.71 116.94 121.97 2qeu h PHE 131 Ca -0.01 -0.02 0.06 0.00 3.53 0.00 0.00 57.97 61.53 2qeu h PHE 131 Cb 0.95 -0.11 -0.06 0.00 2.79 0.00 0.00 35.95 39.51 2qeu h PHE 131 CO 0.12 0.34 0.51 1.49 -2.23 0.00 0.00 178.31 178.54 2qeu h GLU 132 N 0.35 0.90 -0.58 1.11 4.81 -0.74 0.18 114.58 120.60 2qeu h GLU 132 Ca 0.08 -0.05 -0.08 0.00 -0.13 0.00 0.00 59.36 59.18 2qeu h GLU 132 Cb 0.18 -0.20 -0.02 0.00 0.63 0.00 0.00 28.75 29.34 2qeu h GLU 132 CO 0.00 0.59 0.03 0.87 -0.73 0.00 0.00 179.01 179.77 2qeu h LYS 133 N 0.92 0.97 0.26 1.92 1.57 -1.34 0.18 116.57 121.06 2qeu h LYS 133 Ca 0.37 -0.28 -0.01 0.00 -1.87 0.00 0.00 60.65 58.86 2qeu h LYS 133 Cb 0.19 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 32.40 2qeu h LYS 133 CO -0.18 0.94 -0.13 1.49 -0.57 0.00 0.00 179.45 181.01 2qeu h GLU 134 N 0.90 -0.34 -0.34 3.15 4.81 -0.87 -0.96 114.58 120.94 2qeu h GLU 134 Ca 0.17 0.02 0.01 0.00 -0.13 0.00 0.00 59.36 59.43 2qeu h GLU 134 Cb 0.49 0.08 -0.02 0.00 0.63 0.00 0.00 28.75 29.93 2qeu h GLU 134 CO 0.02 -0.11 0.23 -0.07 -0.73 0.00 0.00 179.01 178.35 2qeu h LEU 135 N -0.51 0.37 -0.70 1.64 3.38 -0.45 -1.82 115.31 117.23 2qeu h LEU 135 Ca -0.04 -0.01 -0.14 0.00 0.09 0.00 0.00 57.88 57.79 2qeu h LEU 135 Cb 0.38 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.02 2qeu h LEU 135 CO 0.06 0.27 -0.56 0.00 0.09 0.00 0.00 178.44 178.29 2qeu h ALA 136 N 1.79 0.89 0.00 1.53 0.00 -0.82 -2.08 119.26 120.57 2qeu h ALA 136 Ca 0.13 -0.52 0.00 0.00 0.00 0.00 0.00 54.91 54.52 2qeu h ALA 136 Cb -0.01 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.69 2qeu h ALA 136 CO -0.03 0.70 0.00 0.41 0.00 0.00 0.00 179.25 180.33 2qeu n GLY 137 N 0.18 -0.48 4.00 0.00 0.00 -0.38 -5.08 105.19 103.43 2qeu n GLY 137 Ca -0.02 -0.06 0.00 0.00 0.00 0.00 0.00 46.02 45.94 2qeu n GLY 137 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60