#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2oqg h VAL 3 N 0.00 0.00 -0.19 2.28 3.04 -2.05 -2.40 116.25 116.92 2oqg h VAL 3 Ca 0.00 -0.57 -0.17 0.00 -1.01 0.00 0.00 66.70 64.96 2oqg h VAL 3 Cb 0.00 1.50 -0.00 0.00 -2.01 0.00 0.00 31.29 30.78 2oqg h VAL 3 CO 0.00 0.00 -0.56 1.23 -1.01 0.00 0.00 177.57 177.23 2oqg h GLY 4 N 3.27 0.65 0.97 3.17 0.00 -2.05 0.44 103.07 109.52 2oqg h GLY 4 Ca 0.00 -0.76 -0.00 0.00 0.00 0.00 0.00 47.33 46.56 2oqg h GLY 4 CO 0.00 0.69 0.11 -0.84 0.00 0.00 0.00 176.54 176.50 2oqg h THR 5 N 0.45 1.07 -0.23 4.70 2.02 -1.92 -2.75 112.91 116.26 2oqg h THR 5 Ca 0.01 -0.18 -0.01 0.00 0.77 0.00 0.00 66.41 67.00 2oqg h THR 5 Cb 1.11 0.87 -0.01 0.00 -1.74 0.00 0.00 68.15 68.38 2oqg h THR 5 CO 0.11 0.07 0.11 0.22 0.37 0.00 0.00 175.52 176.40 2oqg h TYR 6 N 0.22 0.33 -0.84 3.16 3.20 -1.31 -1.33 116.97 120.39 2oqg h TYR 6 Ca 0.07 -0.01 0.13 0.00 3.14 0.00 0.00 58.73 62.06 2oqg h TYR 6 Cb 0.02 -0.10 -0.06 0.00 1.54 0.00 0.00 36.73 38.12 2oqg h TYR 6 CO -0.05 0.32 0.55 0.00 -1.64 0.00 0.00 178.16 177.33 2oqg h ALA 7 N 0.98 1.88 0.00 1.82 0.00 -0.79 0.23 119.26 123.37 2oqg h ALA 7 Ca 0.08 0.01 -0.12 0.00 0.00 0.00 0.00 54.91 54.88 2oqg h ALA 7 Cb 0.11 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 2oqg h ALA 7 CO -0.01 -0.10 -1.54 0.39 0.00 0.00 0.00 179.25 178.00 2oqg n GLU 8 N -4.53 0.63 0.00 0.00 -0.58 -1.05 -3.81 120.64 111.31 2oqg n GLU 8 Ca 0.16 0.10 0.13 0.00 -0.42 0.00 0.00 57.16 57.12 2oqg n GLU 8 Cb 0.45 -1.73 0.34 0.00 -0.57 0.00 0.00 31.44 29.94 2oqg n GLU 8 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 2oqg n LEU 9 N -2.71 0.61 -0.20 -4.62 4.77 -0.52 -4.54 117.00 109.80 2oqg n LEU 9 Ca -0.09 -0.04 0.00 0.00 -0.03 0.00 0.00 56.01 55.85 2oqg n LEU 9 Cb 0.76 -0.22 0.11 0.00 -2.33 0.00 0.00 43.42 41.73 2oqg n LEU 9 CO 0.43 0.13 0.95 0.00 -1.33 0.00 0.00 177.39 177.57 2oqg h ALA 10 N 3.25 0.74 -0.16 -1.18 0.00 -0.67 0.58 119.26 121.81 2oqg h ALA 10 Ca 0.00 0.11 -0.14 0.00 0.00 0.00 0.00 54.91 54.87 2oqg h ALA 10 Cb 0.49 0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.38 2oqg h ALA 10 CO 0.00 -0.25 -0.50 0.66 0.00 0.00 0.00 179.25 179.16 2oqg h SER 11 N 0.33 0.48 -0.11 0.00 4.64 -1.83 -0.68 113.55 116.38 2oqg h SER 11 Ca 0.31 -0.24 -0.01 0.00 -0.47 0.00 0.00 61.79 61.38 2oqg h SER 11 Cb 0.42 -0.14 -0.00 0.00 -0.31 0.00 0.00 62.40 62.37 2oqg h SER 11 CO -0.35 0.90 0.04 0.58 -0.87 0.00 0.00 176.83 177.14 2oqg h VAL 12 N 0.35 1.14 -0.40 0.95 2.07 -1.59 -0.67 116.25 118.09 2oqg h VAL 12 Ca 0.02 -0.42 0.05 0.00 0.82 0.00 0.00 66.70 67.17 2oqg h VAL 12 Cb 1.00 1.22 -0.04 0.00 -1.52 0.00 0.00 31.29 31.95 2oqg h VAL 12 CO 0.09 0.13 0.14 -0.26 0.02 0.00 0.00 177.57 177.69 2oqg h PHE 13 N 0.02 0.25 -0.70 1.57 0.04 -0.69 -0.23 116.94 117.21 2oqg h PHE 13 Ca 0.04 0.02 0.04 0.00 2.80 0.00 0.00 57.97 60.87 2oqg h PHE 13 Cb 0.16 -0.05 -0.05 0.00 2.20 0.00 0.00 35.95 38.21 2oqg h PHE 13 CO -0.02 0.10 0.42 0.00 -0.60 0.00 0.00 178.31 178.21 2oqg h ALA 14 N 1.26 0.93 -0.52 2.45 0.00 -1.03 -2.15 119.26 120.20 2oqg h ALA 14 Ca 0.19 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 55.03 2oqg h ALA 14 Cb 0.17 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 2oqg h ALA 14 CO -0.19 0.16 0.09 0.00 0.00 0.00 0.00 179.25 179.30 2oqg h ALA 15 N 1.33 1.18 -0.06 0.00 0.00 -0.23 -2.61 119.26 118.86 2oqg h ALA 15 Ca 0.30 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.98 2oqg h ALA 15 Cb 0.09 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.67 2oqg h ALA 15 CO -0.14 0.55 0.00 1.28 0.00 0.00 0.00 179.25 180.94 2oqg n LEU 16 N -4.25 0.73 0.10 0.00 4.77 -0.18 -3.94 117.00 114.22 2oqg n LEU 16 Ca 0.03 -0.29 0.13 0.00 -0.03 0.00 0.00 56.01 55.85 2oqg n LEU 16 Cb 0.25 -0.04 0.45 0.00 -2.33 0.00 0.00 43.42 41.75 2oqg n LEU 16 CO 0.40 0.15 0.88 -1.20 -1.33 0.00 0.00 177.39 176.29 2oqg n SER 17 N -0.33 0.67 -4.27 -1.43 7.64 -0.85 -4.81 113.62 110.24 2oqg n SER 17 Ca 0.16 0.59 -0.33 0.00 1.01 0.00 0.00 58.87 60.30 2oqg n SER 17 Cb 0.19 -0.76 -0.15 0.00 -1.01 0.00 0.00 64.21 62.48 2oqg n SER 17 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 2oqg s ASP 18 N -4.26 3.73 0.41 6.43 -1.08 -1.25 -5.02 116.67 115.63 2oqg s ASP 18 Ca 0.09 -0.46 0.13 0.00 -0.52 0.00 0.00 52.55 51.79 2oqg s ASP 18 Cb 0.12 -1.58 0.88 0.00 -1.46 0.00 0.00 42.92 40.88 2oqg s ASP 18 CO 0.52 0.07 1.93 -0.33 0.52 0.00 0.00 175.17 177.89 2oqg h GLU 19 N 7.38 0.06 -0.48 4.34 5.08 -1.93 -2.34 114.58 126.69 2oqg h GLU 19 Ca -0.34 -0.02 -0.13 0.00 -1.00 0.00 0.00 59.36 57.87 2oqg h GLU 19 Cb 1.18 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 30.41 2oqg h GLU 19 CO 0.58 0.28 -0.23 1.15 -1.00 0.00 0.00 179.01 179.79 2oqg h THR 20 N 0.06 1.27 -0.26 1.13 2.02 -1.97 -2.00 112.91 113.15 2oqg h THR 20 Ca 0.01 -1.39 -0.05 0.00 0.77 0.00 0.00 66.41 65.75 2oqg h THR 20 Cb 0.41 1.14 -0.01 0.00 -1.74 0.00 0.00 68.15 67.94 2oqg h THR 20 CO 0.03 0.48 -0.05 0.03 0.37 0.00 0.00 175.52 176.38 2oqg h ARG 21 N 0.86 0.40 -0.70 6.66 3.08 -1.75 -1.25 114.38 121.68 2oqg h ARG 21 Ca 0.11 -0.08 -0.04 0.00 0.07 0.00 0.00 59.98 60.04 2oqg h ARG 21 Cb 0.81 -0.06 -0.03 0.00 0.08 0.00 0.00 29.97 30.77 2oqg h ARG 21 CO 0.07 0.47 0.29 -1.49 -1.07 0.00 0.00 179.97 178.23 2oqg h TRP 22 N 0.38 1.05 -0.33 3.04 4.06 -1.18 -0.35 115.95 122.62 2oqg h TRP 22 Ca 0.08 -0.08 -0.00 0.00 2.06 0.00 0.00 58.89 60.95 2oqg h TRP 22 Cb 0.33 -0.32 -0.02 0.00 -1.00 0.00 0.00 29.16 28.16 2oqg h TRP 22 CO 0.01 0.81 0.19 1.49 -3.56 0.00 0.00 178.44 177.38 2oqg h GLU 23 N 0.99 0.45 -0.49 0.49 4.81 -0.88 0.20 114.58 120.15 2oqg h GLU 23 Ca 0.23 -0.04 -0.00 0.00 -0.13 0.00 0.00 59.36 59.42 2oqg h GLU 23 Cb 0.20 -0.09 -0.02 0.00 0.63 0.00 0.00 28.75 29.46 2oqg h GLU 23 CO -0.02 0.35 0.29 0.82 -0.73 0.00 0.00 179.01 179.73 2oqg h ILE 24 N 0.42 1.15 -0.74 2.32 2.04 -1.11 -1.46 117.51 120.12 2oqg h ILE 24 Ca 0.12 -0.34 -0.02 0.00 1.00 0.00 0.00 64.86 65.62 2oqg h ILE 24 Cb 0.03 0.50 -0.03 0.00 -0.74 0.00 0.00 36.82 36.57 2oqg h ILE 24 CO -0.02 0.15 0.40 -0.07 0.00 0.00 0.00 178.15 178.62 2oqg h LEU 25 N 0.65 0.93 -0.52 1.44 3.38 -0.87 -1.57 115.31 118.75 2oqg h LEU 25 Ca 0.17 -0.10 0.01 0.00 0.09 0.00 0.00 57.88 58.05 2oqg h LEU 25 Cb -0.01 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.48 2oqg h LEU 25 CO -0.03 0.76 0.35 0.74 0.09 0.00 0.00 178.44 180.35 2oqg h THR 26 N 1.03 1.13 -0.66 0.22 2.02 -0.56 0.15 112.91 116.24 2oqg h THR 26 Ca 0.26 -0.24 0.03 0.00 0.77 0.00 0.00 66.41 67.23 2oqg h THR 26 Cb 0.04 0.36 -0.04 0.00 -1.74 0.00 0.00 68.15 66.77 2oqg h THR 26 CO -0.04 0.13 0.41 -0.33 0.37 0.00 0.00 175.52 176.05 2oqg h GLU 27 N 0.71 0.77 0.00 6.66 4.39 -1.03 -2.97 114.58 123.10 2oqg h GLU 27 Ca 0.19 -0.05 0.00 0.00 0.34 0.00 0.00 59.36 59.85 2oqg h GLU 27 Cb -0.08 -0.17 0.00 0.00 -0.10 0.00 0.00 28.75 28.39 2oqg h GLU 27 CO -0.04 0.51 -0.18 -0.07 -1.16 0.00 0.00 179.01 178.07 2oqg h LEU 28 N 0.79 0.00 0.00 1.33 3.38 -0.78 -2.71 115.31 117.32 2oqg h LEU 28 Ca 0.27 -0.04 -0.00 0.00 0.09 0.00 0.00 57.88 58.20 2oqg h LEU 28 Cb 0.04 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.79 2oqg h LEU 28 CO -0.12 0.02 -0.06 1.23 0.09 0.00 0.00 178.44 179.60 2oqg h GLY 29 N 4.36 0.00 0.53 0.83 0.00 -0.56 -2.22 103.07 105.99 2oqg h GLY 29 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 47.33 47.00 2oqg h GLY 29 CO 0.00 0.00 -2.03 -0.96 0.00 0.00 0.00 176.54 173.55 2oqg n ARG 30 N -3.08 0.66 -3.71 4.80 1.85 -1.15 -4.94 116.66 111.09 2oqg n ARG 30 Ca 0.04 0.16 -0.12 0.00 -1.00 0.00 0.00 57.85 56.92 2oqg n ARG 30 Cb 0.53 -1.67 -0.10 0.00 -1.05 0.00 0.00 32.46 30.18 2oqg n ARG 30 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 2oqg s ALA 31 N -2.55 -1.13 0.19 2.89 0.00 -1.03 -5.13 121.76 115.00 2oqg s ALA 31 Ca -0.08 1.37 -0.31 0.00 0.00 0.00 0.00 51.96 52.94 2oqg s ALA 31 Cb 0.07 -0.81 -0.10 0.00 0.00 0.00 0.00 23.12 22.28 2oqg s ALA 31 CO 0.82 -0.23 1.57 -0.51 0.00 0.00 0.00 175.76 177.41 2oqg s ASP 32 N 0.53 6.56 0.01 0.00 1.01 -1.26 -4.19 116.67 119.33 2oqg s ASP 32 Ca -0.02 2.67 -0.01 0.00 0.71 0.00 0.00 52.55 55.90 2oqg s ASP 32 Cb -0.04 -2.60 -0.01 0.00 1.01 0.00 0.00 42.92 41.27 2oqg s ASP 32 CO -0.03 -0.83 -0.01 -1.10 0.21 0.00 0.00 175.17 173.41 2oqg s GLN 33 N 0.84 0.24 0.81 8.23 -0.21 -0.92 -4.83 119.66 123.83 2oqg s GLN 33 Ca 0.69 -0.44 -0.12 0.00 0.02 0.00 0.00 55.36 55.52 2oqg s GLN 33 Cb -0.44 0.09 0.08 0.00 1.00 0.00 0.00 33.01 33.73 2oqg s GLN 33 CO 0.34 -0.04 1.11 -1.54 -2.12 0.00 0.00 175.29 173.04 2oqg s SER 34 N -1.07 4.39 0.39 5.90 1.04 -1.26 -0.76 113.70 122.33 2oqg s SER 34 Ca -0.12 1.21 0.08 0.00 0.48 0.00 0.00 55.95 57.60 2oqg s SER 34 Cb -0.07 -1.91 0.85 0.00 0.10 0.00 0.00 66.02 64.99 2oqg s SER 34 CO -0.01 -2.03 1.98 0.00 0.98 0.00 0.00 173.24 174.17 2oqg h ALA 35 N -1.13 1.80 -0.42 5.32 0.00 -1.97 -1.86 119.26 121.00 2oqg h ALA 35 Ca -0.47 -0.02 -0.06 0.00 0.00 0.00 0.00 54.91 54.35 2oqg h ALA 35 Cb 1.28 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.90 2oqg h ALA 35 CO 0.60 0.10 0.01 0.77 0.00 0.00 0.00 179.25 180.74 2oqg h SER 36 N 0.62 0.73 -0.42 0.00 0.02 -1.93 -1.37 113.55 111.20 2oqg h SER 36 Ca 0.27 -0.30 -0.05 0.00 -0.84 0.00 0.00 61.79 60.87 2oqg h SER 36 Cb 0.29 -0.19 -0.02 0.00 0.14 0.00 0.00 62.40 62.61 2oqg h SER 36 CO -0.08 0.85 0.10 0.28 -1.14 0.00 0.00 176.83 176.83 2oqg h SER 37 N 0.58 0.69 -0.46 3.07 0.02 -1.80 -0.79 113.55 114.87 2oqg h SER 37 Ca 0.12 -0.12 -0.05 0.00 -0.84 0.00 0.00 61.79 60.90 2oqg h SER 37 Cb 0.47 -0.18 -0.02 0.00 0.14 0.00 0.00 62.40 62.81 2oqg h SER 37 CO 0.02 0.70 0.10 -0.07 -1.14 0.00 0.00 176.83 176.44 2oqg h LEU 38 N 0.72 0.71 -1.29 5.07 3.38 -1.14 -2.57 115.31 120.19 2oqg h LEU 38 Ca 0.16 -0.24 -0.07 0.00 0.09 0.00 0.00 57.88 57.81 2oqg h LEU 38 Cb 0.30 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.85 2oqg h LEU 38 CO 0.00 0.77 -0.35 0.00 0.09 0.00 0.00 178.44 178.95 2oqg h ALA 39 N 0.97 1.40 -0.09 1.53 0.00 -0.74 0.19 119.26 122.53 2oqg h ALA 39 Ca 0.14 -0.32 -0.11 0.00 0.00 0.00 0.00 54.91 54.61 2oqg h ALA 39 Cb 0.35 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 2oqg h ALA 39 CO 0.00 0.44 -0.46 1.15 0.00 0.00 0.00 179.25 180.38 2oqg h THR 40 N 0.00 1.33 0.12 0.00 2.02 -1.11 -3.34 112.91 111.94 2oqg h THR 40 Ca -0.00 -1.65 -0.34 0.00 0.77 0.00 0.00 66.41 65.19 2oqg h THR 40 Cb 0.63 1.78 -0.01 0.00 -1.74 0.00 0.00 68.15 68.81 2oqg h THR 40 CO 0.05 0.49 -1.80 -0.09 0.37 0.00 0.00 175.52 174.53 2oqg h ARG 41 N 0.17 0.25 -6.44 6.66 9.65 -0.88 -3.48 114.38 120.32 2oqg h ARG 41 Ca 0.01 -0.43 -0.68 0.00 -1.10 0.00 0.00 59.98 57.78 2oqg h ARG 41 Cb 0.89 0.16 -0.19 0.00 -1.39 0.00 0.00 29.97 29.44 2oqg h ARG 41 CO 0.07 1.11 -0.75 -0.51 2.80 0.00 0.00 179.97 182.69 2oqg s LEU 42 N -6.95 2.93 -1.48 3.80 1.43 0.57 -5.02 118.68 113.96 2oqg s LEU 42 Ca -0.15 -0.29 -0.10 0.00 -1.03 0.00 0.00 54.13 52.56 2oqg s LEU 42 Cb 0.07 -1.70 -0.08 0.00 0.03 0.00 0.00 46.19 44.51 2oqg s LEU 42 CO 0.81 0.26 2.76 -0.81 0.23 0.00 0.00 176.35 179.60 2oqg n PRO 43 N 1.43 3.34 -4.39 1.29 -0.04 -1.26 -4.67 135.00 130.71 2oqg n PRO 43 Ca -0.15 -2.09 -0.20 0.00 -0.04 0.00 0.00 63.50 61.02 2oqg n PRO 43 Cb 0.52 -2.77 -0.15 0.00 -0.04 0.00 0.00 33.50 31.06 2oqg n PRO 43 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 2oqg s VAL 44 N 2.49 0.76 0.72 0.52 1.01 -1.26 -5.14 120.40 119.50 2oqg s VAL 44 Ca 0.63 -0.38 -0.13 0.00 0.00 0.00 0.00 61.98 62.10 2oqg s VAL 44 Cb 0.16 -0.66 0.03 0.00 0.00 0.00 0.00 36.38 35.92 2oqg s VAL 44 CO -0.05 0.23 1.12 -0.94 0.00 0.00 0.00 175.10 175.45 2oqg s SER 45 N -0.01 4.66 0.20 3.32 1.04 -1.26 -4.74 113.70 116.92 2oqg s SER 45 Ca 0.00 1.99 -0.11 0.00 0.48 0.00 0.00 55.95 58.32 2oqg s SER 45 Cb -0.06 -2.55 0.27 0.00 0.10 0.00 0.00 66.02 63.78 2oqg s SER 45 CO 0.00 -1.93 1.71 -0.09 0.98 0.00 0.00 173.24 173.90 2oqg h ARG 46 N -0.51 0.25 -0.58 4.02 9.65 -1.95 0.13 114.38 125.38 2oqg h ARG 46 Ca -0.46 -0.01 -0.06 0.00 -1.10 0.00 0.00 59.98 58.35 2oqg h ARG 46 Cb 1.25 -0.06 -0.03 0.00 -1.39 0.00 0.00 29.97 29.75 2oqg h ARG 46 CO 0.52 0.16 0.12 1.96 2.80 0.00 0.00 179.97 185.53 2oqg h GLN 47 N 0.25 0.91 -0.27 0.20 1.08 -2.00 -0.84 115.11 114.45 2oqg h GLN 47 Ca 0.30 -0.21 -0.12 0.00 -1.45 0.00 0.00 58.65 57.17 2oqg h GLN 47 Cb 0.44 -0.13 -0.00 0.00 -0.05 0.00 0.00 27.48 27.74 2oqg h GLN 47 CO -0.39 0.83 -0.30 0.00 -0.95 0.00 0.00 178.83 178.02 2oqg h ALA 48 N 1.26 0.40 -0.73 3.87 0.00 -1.75 -2.45 119.26 119.85 2oqg h ALA 48 Ca 0.18 -0.41 0.00 0.00 0.00 0.00 0.00 54.91 54.69 2oqg h ALA 48 Cb 0.35 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.02 2oqg h ALA 48 CO 0.00 0.42 0.46 0.82 0.00 0.00 0.00 179.25 180.95 2oqg h ILE 49 N 0.41 1.20 -0.35 0.00 2.04 -0.51 -0.63 117.51 119.66 2oqg h ILE 49 Ca 0.04 -0.41 0.01 0.00 1.00 0.00 0.00 64.86 65.50 2oqg h ILE 49 Cb 0.88 0.16 -0.02 0.00 -0.74 0.00 0.00 36.82 37.09 2oqg h ILE 49 CO 0.07 0.20 0.21 0.00 0.00 0.00 0.00 178.15 178.63 2oqg h ALA 50 N 1.25 0.44 -0.46 1.87 0.00 -1.06 0.31 119.26 121.61 2oqg h ALA 50 Ca 0.26 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.14 2oqg h ALA 50 Cb -0.07 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.60 2oqg h ALA 50 CO -0.05 -0.14 0.19 0.87 0.00 0.00 0.00 179.25 180.12 2oqg h LYS 51 N 0.42 0.68 -0.35 0.00 6.56 -1.04 -0.92 116.57 121.92 2oqg h LYS 51 Ca 0.14 -0.12 -0.01 0.00 -1.06 0.00 0.00 60.65 59.60 2oqg h LYS 51 Cb -0.00 -0.11 -0.02 0.00 -0.57 0.00 0.00 32.23 31.53 2oqg h LYS 51 CO -0.06 0.60 0.19 0.45 -2.06 0.00 0.00 179.45 178.57 2oqg h HIS 52 N 0.59 0.49 -0.79 -1.35 3.86 -0.94 -1.53 115.15 115.49 2oqg h HIS 52 Ca 0.15 -0.01 0.05 0.00 -1.16 0.00 0.00 60.37 59.40 2oqg h HIS 52 Cb 0.17 -0.16 -0.05 0.00 1.06 0.00 0.00 27.41 28.43 2oqg h HIS 52 CO -0.00 0.39 0.48 -0.07 0.86 0.00 0.00 177.93 179.60 2oqg h LEU 53 N 0.44 0.77 -0.37 2.43 3.38 -0.69 0.60 115.31 121.87 2oqg h LEU 53 Ca 0.12 0.01 0.03 0.00 0.09 0.00 0.00 57.88 58.13 2oqg h LEU 53 Cb 0.07 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 40.64 2oqg h LEU 53 CO -0.02 0.51 0.18 0.78 0.09 0.00 0.00 178.44 179.98 2oqg h ASN 54 N 0.91 0.27 -0.47 -0.43 2.35 -0.85 0.11 115.58 117.47 2oqg h ASN 54 Ca 0.33 0.02 0.04 0.00 -0.55 0.00 0.00 56.30 56.15 2oqg h ASN 54 Cb 0.11 -0.03 -0.04 0.00 0.05 0.00 0.00 38.32 38.41 2oqg h ASN 54 CO -0.15 0.20 0.23 0.00 -1.65 0.00 0.00 177.43 176.05 2oqg h ALA 55 N 1.20 0.59 -0.16 -0.83 0.00 -0.60 -1.08 119.26 118.37 2oqg h ALA 55 Ca 0.16 0.02 -0.16 0.00 0.00 0.00 0.00 54.91 54.94 2oqg h ALA 55 Cb 0.07 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 2oqg h ALA 55 CO -0.11 -0.13 -0.56 -0.07 0.00 0.00 0.00 179.25 178.38 2oqg h LEU 56 N 0.45 0.55 -0.63 0.00 3.38 -0.57 -2.92 115.31 115.57 2oqg h LEU 56 Ca 0.21 -0.30 -0.14 0.00 0.09 0.00 0.00 57.88 57.74 2oqg h LEU 56 Cb 0.13 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.71 2oqg h LEU 56 CO -0.15 0.99 -0.42 1.56 0.09 0.00 0.00 178.44 180.51 2oqg h GLN 57 N 0.38 0.60 0.00 1.13 4.20 -0.53 -0.21 115.11 120.68 2oqg h GLN 57 Ca 0.01 -0.31 -0.07 0.00 0.06 0.00 0.00 58.65 58.33 2oqg h GLN 57 Cb 1.09 0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.87 2oqg h GLN 57 CO 0.10 0.91 -0.34 0.00 -0.67 0.00 0.00 178.83 178.83 2oqg h ALA 58 N 1.05 1.41 -0.19 3.87 0.00 -1.02 -2.27 119.26 122.11 2oqg h ALA 58 Ca 0.04 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.64 2oqg h ALA 58 Cb 0.93 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.67 2oqg h ALA 58 CO 0.08 0.42 0.00 0.00 0.00 0.00 0.00 179.25 179.75 2oqg n GLY 60 N 1.32 0.67 0.16 0.00 0.00 -0.86 -4.83 105.19 101.65 2oqg n GLY 60 Ca 0.15 -0.26 0.12 0.00 0.00 0.00 0.00 46.02 46.04 2oqg n GLY 60 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2oqg h LEU 61 N 0.00 0.00 -8.11 0.99 3.38 -1.28 -3.43 115.31 106.86 2oqg h LEU 61 Ca 0.00 -0.02 -0.27 0.00 0.09 0.00 0.00 57.88 57.68 2oqg h LEU 61 Cb 0.00 0.00 -0.22 0.00 0.09 0.00 0.00 40.66 40.53 2oqg h LEU 61 CO 0.00 0.01 -0.73 -0.69 0.09 0.00 0.00 178.44 177.12 2oqg s VAL 62 N -3.21 0.48 0.08 1.22 1.01 -1.07 -1.01 120.40 117.89 2oqg s VAL 62 Ca 0.06 -0.96 0.07 0.00 0.00 0.00 0.00 61.98 61.16 2oqg s VAL 62 Cb 0.08 -0.54 -0.03 0.00 0.00 0.00 0.00 36.38 35.89 2oqg s VAL 62 CO 0.68 -0.33 -0.19 -1.83 0.00 0.00 0.00 175.10 173.42 2oqg s GLU 63 N -1.39 1.13 0.44 2.72 -1.05 -0.55 -4.23 118.70 115.77 2oqg s GLU 63 Ca -0.09 -1.05 -0.21 0.00 -0.15 0.00 0.00 54.97 53.47 2oqg s GLU 63 Cb -0.09 -1.30 -0.10 0.00 -0.44 0.00 0.00 34.13 32.20 2oqg s GLU 63 CO 0.00 0.31 0.98 -1.54 0.95 0.00 0.00 175.26 175.97 2oqg s SER 64 N -1.65 6.74 -0.21 0.83 1.04 -1.26 -1.01 113.70 118.18 2oqg s SER 64 Ca 0.05 1.79 -0.01 0.00 0.48 0.00 0.00 55.95 58.27 2oqg s SER 64 Cb -0.10 -2.55 0.06 0.00 0.10 0.00 0.00 66.02 63.53 2oqg s SER 64 CO 0.03 -0.50 -0.02 -0.69 0.98 0.00 0.00 173.24 173.04 2oqg s VAL 65 N -2.07 1.11 -0.23 5.02 1.01 0.26 -4.92 120.40 120.58 2oqg s VAL 65 Ca 0.63 -0.88 0.00 0.00 0.00 0.00 0.00 61.98 61.73 2oqg s VAL 65 Cb -0.12 -1.44 0.03 0.00 0.00 0.00 0.00 36.38 34.85 2oqg s VAL 65 CO 0.16 -0.09 -0.12 -0.54 0.00 0.00 0.00 175.10 174.51 2oqg s LYS 66 N 1.60 2.75 -0.25 2.72 1.02 -1.26 -0.80 119.74 125.51 2oqg s LYS 66 Ca -0.03 -1.01 -0.03 0.00 0.02 0.00 0.00 55.97 54.91 2oqg s LYS 66 Cb -0.18 -2.83 0.10 0.00 -0.52 0.00 0.00 37.83 34.40 2oqg s LYS 66 CO -0.07 -0.38 0.18 0.08 -0.92 0.00 0.00 175.35 174.24 2oqg s VAL 67 N 1.26 -0.20 0.00 3.17 1.01 -0.89 -5.05 120.40 119.71 2oqg s VAL 67 Ca -0.00 -0.48 0.00 0.00 0.00 0.00 0.00 61.98 61.50 2oqg s VAL 67 Cb -0.16 -0.86 0.00 0.00 0.00 0.00 0.00 36.38 35.36 2oqg s VAL 67 CO -0.07 -0.50 0.00 0.61 0.00 0.00 0.00 175.10 175.14 2oqg n GLY 68 N 5.28 0.49 0.00 4.51 0.00 -1.26 -3.34 105.19 110.87 2oqg n GLY 68 Ca -0.05 -0.78 0.11 0.00 0.00 0.00 0.00 46.02 45.31 2oqg n GLY 68 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2oqg n ARG 69 N 12.12 0.04 -3.58 1.61 1.74 -1.26 -4.86 116.66 122.47 2oqg n ARG 69 Ca 0.00 0.09 -0.36 0.00 -0.77 0.00 0.00 57.85 56.81 2oqg n ARG 69 Cb 0.00 -1.50 -0.07 0.00 -1.02 0.00 0.00 32.46 29.87 2oqg n ARG 69 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 2oqg s GLU 70 N -2.96 4.22 -0.21 5.56 0.41 -1.21 -5.06 118.70 119.45 2oqg s GLU 70 Ca 0.13 -0.00 -0.01 0.00 -0.41 0.00 0.00 54.97 54.67 2oqg s GLU 70 Cb 0.16 -3.44 0.01 0.00 -1.78 0.00 0.00 34.13 29.08 2oqg s GLU 70 CO 0.43 0.22 -0.10 0.42 -0.49 0.00 0.00 175.26 175.73 2oqg s ILE 71 N 0.56 2.76 0.36 -1.63 1.01 -1.26 -2.09 121.20 120.90 2oqg s ILE 71 Ca 0.14 -0.81 0.05 0.00 0.00 0.00 0.00 60.65 60.03 2oqg s ILE 71 Cb -0.13 -2.27 -0.07 0.00 0.01 0.00 0.00 42.46 40.00 2oqg s ILE 71 CO 0.03 0.39 0.04 -0.13 0.00 0.00 0.00 174.94 175.27 2oqg s ARG 72 N 1.36 1.78 0.13 2.79 0.52 0.02 -4.19 118.95 121.37 2oqg s ARG 72 Ca 0.04 -2.00 0.08 0.00 -0.52 0.00 0.00 55.73 53.33 2oqg s ARG 72 Cb -0.15 -1.18 -0.04 0.00 0.52 0.00 0.00 34.95 34.10 2oqg s ARG 72 CO -0.07 -0.13 -0.19 0.71 0.02 0.00 0.00 175.30 175.64 2oqg s TYR 73 N -3.06 1.76 -0.02 -0.53 2.02 0.06 0.91 117.35 118.50 2oqg s TYR 73 Ca 0.36 -0.45 0.01 0.00 -0.37 0.00 0.00 57.07 56.61 2oqg s TYR 73 Cb 0.09 -0.92 0.02 0.00 -0.40 0.00 0.00 41.96 40.75 2oqg s TYR 73 CO 0.16 0.25 -0.01 0.50 -1.57 0.00 0.00 175.55 174.89 2oqg s ARG 74 N -2.36 0.30 0.25 -0.62 3.52 -0.18 -2.17 118.95 117.69 2oqg s ARG 74 Ca 0.11 0.01 -0.30 0.00 -0.13 0.00 0.00 55.73 55.42 2oqg s ARG 74 Cb -0.08 -0.42 -0.09 0.00 -1.56 0.00 0.00 34.95 32.80 2oqg s ARG 74 CO 0.05 -0.07 0.99 0.00 -0.81 0.00 0.00 175.30 175.46 2oqg s ALA 75 N 0.68 3.36 -0.09 6.12 0.00 -0.84 -1.48 121.76 129.52 2oqg s ALA 75 Ca -0.07 0.71 0.03 0.00 0.00 0.00 0.00 51.96 52.63 2oqg s ALA 75 Cb -0.10 -3.25 -0.02 0.00 0.00 0.00 0.00 23.12 19.76 2oqg s ALA 75 CO -0.01 0.09 -0.17 -0.51 0.00 0.00 0.00 175.76 175.16 2oqg s LEU 76 N -1.24 2.53 0.47 0.00 1.43 -0.18 -4.74 118.68 116.95 2oqg s LEU 76 Ca 0.42 -0.35 0.28 0.00 -1.03 0.00 0.00 54.13 53.45 2oqg s LEU 76 Cb -0.28 -1.52 0.83 0.00 0.03 0.00 0.00 46.19 45.25 2oqg s LEU 76 CO 0.35 0.24 1.78 1.23 0.23 0.00 0.00 176.35 180.18 2oqg h GLY 77 N 6.16 0.00 -0.19 -3.19 0.00 -1.93 -3.39 103.07 100.54 2oqg h GLY 77 Ca -0.33 0.00 0.10 0.00 0.00 0.00 0.00 47.33 47.11 2oqg h GLY 77 CO 0.51 0.00 -0.23 0.00 0.00 0.00 0.00 176.54 176.83 2oqg h ALA 78 N 2.04 0.15 0.00 3.60 0.00 -1.95 0.10 119.26 123.20 2oqg h ALA 78 Ca 0.00 0.18 -0.09 0.00 0.00 0.00 0.00 54.91 55.00 2oqg h ALA 78 Cb 0.75 0.56 -0.01 0.00 0.00 0.00 0.00 17.79 19.09 2oqg h ALA 78 CO 0.00 -0.56 -0.41 0.93 0.00 0.00 0.00 179.25 179.21 2oqg h GLU 79 N -0.11 0.00 -0.29 0.00 4.39 -1.82 -1.23 114.58 115.52 2oqg h GLU 79 Ca 0.24 0.00 -0.05 0.00 0.34 0.00 0.00 59.36 59.89 2oqg h GLU 79 Cb 0.48 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.12 2oqg h GLU 79 CO -0.59 0.41 -0.01 -0.07 -1.16 0.00 0.00 179.01 177.60 2oqg h LEU 80 N 0.00 0.51 -0.39 1.33 3.38 -1.20 -0.90 115.31 118.04 2oqg h LEU 80 Ca -0.00 -0.31 -0.01 0.00 0.09 0.00 0.00 57.88 57.64 2oqg h LEU 80 Cb 0.87 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 41.46 2oqg h LEU 80 CO 0.05 0.70 0.19 0.78 0.09 0.00 0.00 178.44 180.25 2oqg h ASN 81 N 0.30 0.50 -0.79 -0.43 2.35 -0.72 -0.28 115.58 116.52 2oqg h ASN 81 Ca 0.08 -0.12 -0.02 0.00 -0.55 0.00 0.00 56.30 55.70 2oqg h ASN 81 Cb 0.44 -0.13 -0.04 0.00 0.05 0.00 0.00 38.32 38.64 2oqg h ASN 81 CO 0.02 0.48 0.43 0.50 -1.65 0.00 0.00 177.43 177.20 2oqg h LYS 82 N 0.49 1.10 -0.47 0.81 3.64 -1.16 0.06 116.57 121.05 2oqg h LYS 82 Ca 0.13 -0.13 -0.07 0.00 -1.27 0.00 0.00 60.65 59.31 2oqg h LYS 82 Cb 0.11 -0.21 -0.02 0.00 -0.41 0.00 0.00 32.23 31.69 2oqg h LYS 82 CO -0.02 0.82 0.03 1.15 -2.27 0.00 0.00 179.45 179.15 2oqg h THR 83 N 1.09 1.26 -0.72 1.00 2.02 -0.97 -2.30 112.91 114.29 2oqg h THR 83 Ca 0.28 -1.01 -0.04 0.00 0.77 0.00 0.00 66.41 66.40 2oqg h THR 83 Cb 0.04 0.99 -0.03 0.00 -1.74 0.00 0.00 68.15 67.41 2oqg h THR 83 CO -0.04 0.35 0.28 0.00 0.37 0.00 0.00 175.52 176.48 2oqg h ALA 84 N 0.93 0.94 -0.30 6.16 0.00 -0.79 0.45 119.26 126.65 2oqg h ALA 84 Ca 0.14 -0.19 0.02 0.00 0.00 0.00 0.00 54.91 54.88 2oqg h ALA 84 Cb 0.47 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 17.95 2oqg h ALA 84 CO 0.02 0.56 0.14 0.00 0.00 0.00 0.00 179.25 179.97 2oqg h ARG 85 N 1.03 0.29 -0.36 0.00 3.08 -0.83 -0.62 114.38 116.98 2oqg h ARG 85 Ca 0.24 -0.02 -0.04 0.00 0.07 0.00 0.00 59.98 60.23 2oqg h ARG 85 Cb 0.22 -0.07 -0.01 0.00 0.08 0.00 0.00 29.97 30.19 2oqg h ARG 85 CO -0.02 0.20 0.05 1.15 -1.07 0.00 0.00 179.97 180.28 2oqg h THR 86 N 0.30 1.24 -0.31 2.04 2.02 -1.00 -2.03 112.91 115.18 2oqg h THR 86 Ca 0.13 -0.86 -0.08 0.00 0.77 0.00 0.00 66.41 66.36 2oqg h THR 86 Cb 0.05 1.10 -0.02 0.00 -1.74 0.00 0.00 68.15 67.54 2oqg h THR 86 CO -0.09 0.29 -0.15 -0.07 0.37 0.00 0.00 175.52 175.87 2oqg h LEU 87 N 0.44 0.53 -0.32 2.58 3.38 -0.71 -1.34 115.31 119.87 2oqg h LEU 87 Ca 0.11 -0.15 -0.05 0.00 0.09 0.00 0.00 57.88 57.88 2oqg h LEU 87 Cb 0.37 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.97 2oqg h LEU 87 CO 0.01 0.70 0.01 -0.08 0.09 0.00 0.00 178.44 179.17 2oqg h GLU 88 N 0.49 0.56 -0.03 1.13 4.81 -1.00 -0.50 114.58 120.04 2oqg h GLU 88 Ca 0.09 -0.17 0.01 0.00 -0.13 0.00 0.00 59.36 59.15 2oqg h GLU 88 Cb 0.55 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.87 2oqg h GLU 88 CO 0.04 0.69 -0.02 -0.09 -0.73 0.00 0.00 179.01 178.89 2oqg h ARG 89 N 0.37 -0.03 -0.69 1.92 2.43 -1.23 -1.15 114.38 115.99 2oqg h ARG 89 Ca 0.09 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.25 2oqg h ARG 89 Cb 0.43 0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 29.95 2oqg h ARG 89 CO 0.01 -0.02 0.38 0.82 -1.51 0.00 0.00 179.97 179.65 2oqg h ILE 90 N -0.03 1.21 -0.66 1.20 2.04 -1.09 -1.69 117.51 118.50 2oqg h ILE 90 Ca 0.02 -0.54 -0.03 0.00 1.00 0.00 0.00 64.86 65.30 2oqg h ILE 90 Cb 0.06 0.31 -0.03 0.00 -0.74 0.00 0.00 36.82 36.42 2oqg h ILE 90 CO -0.04 0.24 0.27 1.23 0.00 0.00 0.00 178.15 179.85 2oqg h GLY 91 N 0.95 1.04 1.14 5.37 0.00 -0.93 -1.27 103.07 109.38 2oqg h GLY 91 Ca 0.24 -0.56 -0.06 0.00 0.00 0.00 0.00 47.33 46.95 2oqg h GLY 91 CO -0.04 0.53 0.16 0.00 0.00 0.00 0.00 176.54 177.19 2oqg h ALA 92 N 1.12 1.02 -0.49 3.60 0.00 -0.94 -1.18 119.26 122.38 2oqg h ALA 92 Ca 0.22 -0.24 -0.06 0.00 0.00 0.00 0.00 54.91 54.84 2oqg h ALA 92 Cb 0.19 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 2oqg h ALA 92 CO -0.02 0.64 0.09 1.49 0.00 0.00 0.00 179.25 181.45 2oqg h GLU 93 N 1.01 0.81 -0.75 0.00 4.81 -0.96 -1.21 114.58 118.30 2oqg h GLU 93 Ca 0.21 -0.21 -0.02 0.00 -0.13 0.00 0.00 59.36 59.21 2oqg h GLU 93 Cb 0.35 -0.10 -0.03 0.00 0.63 0.00 0.00 28.75 29.60 2oqg h GLU 93 CO 0.00 0.80 0.40 -1.49 -0.73 0.00 0.00 179.01 177.99 2oqg h TRP 94 N 0.69 1.04 -0.61 0.92 4.06 -0.86 -0.42 115.95 120.76 2oqg h TRP 94 Ca 0.15 -0.03 -0.03 0.00 2.06 0.00 0.00 58.89 61.04 2oqg h TRP 94 Cb 0.38 -0.33 -0.03 0.00 -1.00 0.00 0.00 29.16 28.18 2oqg h TRP 94 CO 0.03 0.74 0.27 -0.44 -3.56 0.00 0.00 178.44 175.47 2oqg h ASP 95 N 1.04 0.83 -0.73 -3.49 3.32 -0.98 -0.42 116.42 115.99 2oqg h ASP 95 Ca 0.26 -0.15 -0.06 0.00 0.02 0.00 0.00 57.03 57.10 2oqg h ASP 95 Cb 0.06 -0.21 -0.03 0.00 0.22 0.00 0.00 39.33 39.36 2oqg h ASP 95 CO -0.04 0.75 0.22 0.03 -1.72 0.00 0.00 179.24 178.48 2oqg h ARG 96 N 0.85 1.14 -0.46 3.56 3.08 -0.93 -1.39 114.38 120.23 2oqg h ARG 96 Ca 0.21 -0.25 -0.08 0.00 0.07 0.00 0.00 59.98 59.92 2oqg h ARG 96 Cb 0.17 -0.16 -0.02 0.00 0.08 0.00 0.00 29.97 30.04 2oqg h ARG 96 CO -0.02 0.98 -0.03 0.00 -1.07 0.00 0.00 179.97 179.83 2oqg h ARG 97 N 1.09 0.83 -0.45 0.04 2.47 -0.86 -0.73 114.38 116.77 2oqg h ARG 97 Ca 0.23 -0.28 0.01 0.00 -1.26 0.00 0.00 59.98 58.68 2oqg h ARG 97 Cb 0.32 -0.07 -0.02 0.00 -1.65 0.00 0.00 29.97 28.55 2oqg h ARG 97 CO -0.01 0.90 0.30 1.25 0.56 0.00 0.00 179.97 182.97 2oqg h LEU 98 N 0.68 0.51 -0.74 3.04 5.85 -0.82 -0.63 115.31 123.19 2oqg h LEU 98 Ca 0.13 -0.01 -0.03 0.00 0.84 0.00 0.00 57.88 58.81 2oqg h LEU 98 Cb 0.54 -0.13 -0.03 0.00 0.37 0.00 0.00 40.66 41.41 2oqg h LEU 98 CO 0.03 0.37 0.35 0.00 -0.34 0.00 0.00 178.44 178.85 2oqg h ALA 99 N 1.17 0.96 -0.80 1.25 0.00 -1.07 -1.34 119.26 119.42 2oqg h ALA 99 Ca 0.17 -0.15 -0.04 0.00 0.00 0.00 0.00 54.91 54.89 2oqg h ALA 99 Cb -0.06 -0.29 -0.04 0.00 0.00 0.00 0.00 17.79 17.40 2oqg h ALA 99 CO -0.04 0.53 0.36 0.00 0.00 0.00 0.00 179.25 180.10 2oqg h ALA 100 N 1.18 1.04 -0.77 0.00 0.00 -0.74 -2.06 119.26 117.90 2oqg h ALA 100 Ca 0.25 -0.17 -0.05 0.00 0.00 0.00 0.00 54.91 54.94 2oqg h ALA 100 Cb 0.13 -0.32 -0.03 0.00 0.00 0.00 0.00 17.79 17.57 2oqg h ALA 100 CO -0.03 0.63 0.28 0.82 0.00 0.00 0.00 179.25 180.94 2oqg h ILE 101 N 1.15 1.26 -0.68 0.00 1.08 -0.61 -1.11 117.51 118.59 2oqg h ILE 101 Ca 0.27 -0.85 -0.04 0.00 -0.39 0.00 0.00 64.86 63.85 2oqg h ILE 101 Cb 0.16 0.37 -0.03 0.00 -3.07 0.00 0.00 36.82 34.24 2oqg h ILE 101 CO -0.03 0.34 0.28 0.50 -0.69 0.00 0.00 178.15 178.55 2oqg h LYS 102 N 1.13 1.00 -0.18 2.37 3.64 -0.81 0.15 116.57 123.87 2oqg h LYS 102 Ca 0.25 -0.16 -0.17 0.00 -1.27 0.00 0.00 60.65 59.30 2oqg h LYS 102 Cb 0.25 -0.17 -0.00 0.00 -0.41 0.00 0.00 32.23 31.90 2oqg h LYS 102 CO -0.02 0.81 -0.60 1.96 -2.27 0.00 0.00 179.45 179.33 2oqg h GLN 103 N 0.98 0.60 -0.44 1.90 1.08 -0.83 -1.59 115.11 116.81 2oqg h GLN 103 Ca 0.23 -0.41 -0.02 0.00 -1.45 0.00 0.00 58.65 57.01 2oqg h GLN 103 Cb 0.18 0.06 -0.02 0.00 -0.05 0.00 0.00 27.48 27.64 2oqg h GLN 103 CO -0.02 1.02 0.21 0.82 -0.95 0.00 0.00 178.83 179.91 2oqg h ILE 104 N 0.45 1.18 -0.56 2.54 1.08 -0.43 -2.36 117.51 119.41 2oqg h ILE 104 Ca -0.00 -0.52 -0.07 0.00 -0.39 0.00 0.00 64.86 63.88 2oqg h ILE 104 Cb 1.17 0.72 -0.02 0.00 -3.07 0.00 0.00 36.82 35.61 2oqg h ILE 104 CO 0.12 0.20 0.08 0.00 -0.69 0.00 0.00 178.15 177.86 2oqg h ALA 105 N 1.05 1.10 -0.19 1.87 0.00 -0.57 -2.23 119.26 120.29 2oqg h ALA 105 Ca 0.15 -0.24 -0.06 0.00 0.00 0.00 0.00 54.91 54.76 2oqg h ALA 105 Cb 0.12 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 2oqg h ALA 105 CO -0.02 0.59 -0.14 0.93 0.00 0.00 0.00 179.25 180.61 2oqg h GLU 106 N 0.84 0.31 -6.04 0.00 5.08 -1.02 -3.46 114.58 110.29 2oqg h GLU 106 Ca 0.17 -0.08 -0.51 0.00 -1.00 0.00 0.00 59.36 57.94 2oqg h GLU 106 Cb 0.38 -0.04 -0.04 0.00 0.50 0.00 0.00 28.75 29.56 2oqg h GLU 106 CO 0.01 0.45 1.33 -1.54 -1.00 0.00 0.00 179.01 178.26 2oqg s SER 107 N -6.85 5.40 0.00 1.42 1.04 -0.84 -5.11 113.70 108.76 2oqg s SER 107 Ca -0.06 0.45 0.00 0.00 0.48 0.00 0.00 55.95 56.82 2oqg s SER 107 Cb 0.15 -2.53 0.00 0.00 0.10 0.00 0.00 66.02 63.74 2oqg s SER 107 CO 0.75 -2.25 0.00 -0.62 0.98 0.00 0.00 173.24 172.09