#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qai s ILE 3 N 0.00 3.72 0.06 -0.18 1.01 -1.26 -1.18 121.20 123.37 2qai s ILE 3 Ca 0.00 -0.40 0.08 0.00 0.00 0.00 0.00 60.65 60.33 2qai s ILE 3 Cb 0.00 -2.65 -0.03 0.00 0.01 0.00 0.00 42.46 39.78 2qai s ILE 3 CO 0.00 0.46 -0.21 -0.69 0.00 0.00 0.00 174.94 174.50 2qai s VAL 4 N 0.76 2.55 0.29 2.92 1.01 0.11 -1.96 120.40 126.08 2qai s VAL 4 Ca -0.01 -1.34 0.01 0.00 0.00 0.00 0.00 61.98 60.64 2qai s VAL 4 Cb -0.14 -2.07 -0.00 0.00 0.00 0.00 0.00 36.38 34.16 2qai s VAL 4 CO 0.02 0.30 0.04 0.55 0.00 0.00 0.00 175.10 176.00 2qai n VAL 5 N 1.47 0.00 0.00 2.92 3.14 -0.04 0.76 118.33 126.59 2qai n VAL 5 Ca -0.16 -1.47 0.00 0.00 -2.96 0.00 0.00 64.34 59.75 2qai n VAL 5 Cb 0.52 0.39 0.00 0.00 -1.06 0.00 0.00 33.84 33.69 2qai n VAL 5 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 2qai n GLY 7 N 0.94 0.29 3.84 7.55 0.00 -0.75 -0.80 105.19 116.26 2qai n GLY 7 Ca -0.09 -2.26 -0.30 0.00 0.00 0.00 0.00 46.02 43.37 2qai n GLY 7 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 2qai s ASP 8 N -4.00 4.79 0.15 1.61 -4.77 -1.25 -0.26 116.67 112.94 2qai s ASP 8 Ca 0.00 1.19 -0.20 0.00 -3.30 0.00 0.00 52.55 50.25 2qai s ASP 8 Cb 0.00 -1.93 0.03 0.00 -1.09 0.00 0.00 42.92 39.93 2qai s ASP 8 CO 0.00 -1.76 1.67 0.28 0.70 0.00 0.00 175.17 176.06 2qai h SER 9 N -0.95 -0.42 -0.20 2.11 0.02 -1.92 -0.63 113.55 111.56 2qai h SER 9 Ca -0.46 0.10 0.03 0.00 -0.84 0.00 0.00 61.79 60.62 2qai h SER 9 Cb 1.27 0.23 -0.03 0.00 0.14 0.00 0.00 62.40 64.01 2qai h SER 9 CO 0.61 -0.16 -0.01 0.44 -1.14 0.00 0.00 176.83 176.58 2qai h ASP 10 N -0.09 -0.10 0.31 3.07 5.19 -1.94 0.24 116.42 123.10 2qai h ASP 10 Ca 0.14 0.05 -0.02 0.00 -0.62 0.00 0.00 57.03 56.58 2qai h ASP 10 Cb 0.30 0.09 0.00 0.00 0.18 0.00 0.00 39.33 39.89 2qai h ASP 10 CO -0.32 -0.02 -0.15 0.74 -3.12 0.00 0.00 179.24 176.37 2qai h THR 11 N 0.05 0.69 -0.25 0.35 2.02 -1.91 -2.29 112.91 111.58 2qai h THR 11 Ca 0.09 0.00 0.06 0.00 0.77 0.00 0.00 66.41 67.33 2qai h THR 11 Cb 0.12 0.69 -0.06 0.00 -1.74 0.00 0.00 68.15 67.16 2qai h THR 11 CO -0.17 0.00 -0.15 0.58 0.37 0.00 0.00 175.52 176.15 2qai h VAL 12 N -0.42 0.56 -0.33 3.16 2.07 -0.82 -0.10 116.25 120.38 2qai h VAL 12 Ca -0.04 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.45 2qai h VAL 12 Cb 0.32 0.56 -0.02 0.00 -1.52 0.00 0.00 31.29 30.64 2qai h VAL 12 CO 0.07 0.00 0.08 1.62 0.02 0.00 0.00 177.57 179.36 2qai h VAL 13 N -0.13 1.15 -0.13 2.57 3.04 -0.93 -0.42 116.25 121.41 2qai h VAL 13 Ca 0.14 -0.54 -0.04 0.00 -1.01 0.00 0.00 66.70 65.25 2qai h VAL 13 Cb 0.33 0.82 -0.00 0.00 -2.01 0.00 0.00 31.29 30.43 2qai h VAL 13 CO -0.33 0.19 -0.07 1.23 -1.01 0.00 0.00 177.57 177.59 2qai h GLY 14 N 0.69 0.30 1.53 3.17 0.00 -0.72 -2.00 103.07 106.04 2qai h GLY 14 Ca 0.11 -0.28 -0.12 0.00 0.00 0.00 0.00 47.33 47.05 2qai h GLY 14 CO -0.00 0.25 -0.34 0.74 0.00 0.00 0.00 176.54 177.18 2qai h PHE 15 N -0.07 0.62 -0.63 5.60 0.04 -0.81 0.44 116.94 122.13 2qai h PHE 15 Ca 0.03 -0.16 -0.09 0.00 2.80 0.00 0.00 57.97 60.54 2qai h PHE 15 Cb 0.54 -0.14 -0.02 0.00 2.20 0.00 0.00 35.95 38.53 2qai h PHE 15 CO 0.07 0.81 0.03 -0.09 -0.60 0.00 0.00 178.31 178.53 2qai h ARG 16 N 0.45 1.09 0.00 1.51 9.65 -1.10 -0.89 114.38 125.09 2qai h ARG 16 Ca 0.05 -0.33 -0.06 0.00 -1.10 0.00 0.00 59.98 58.54 2qai h ARG 16 Cb 0.81 -0.11 -0.01 0.00 -1.39 0.00 0.00 29.97 29.28 2qai h ARG 16 CO 0.07 1.04 -0.31 -0.07 2.80 0.00 0.00 179.97 183.50 2qai h LEU 17 N 1.00 0.00 -0.29 3.80 4.07 -1.08 -2.80 115.31 120.01 2qai h LEU 17 Ca 0.18 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.14 2qai h LEU 17 Cb 0.53 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.27 2qai h LEU 17 CO 0.03 0.31 -0.02 0.00 -1.08 0.00 0.00 178.44 177.68 2qai n ALA 18 N -2.30 2.66 0.00 1.53 0.00 0.12 -4.89 120.51 117.63 2qai n ALA 18 Ca -0.01 -0.27 0.00 0.00 0.00 0.00 0.00 53.44 53.16 2qai n ALA 18 Cb 0.44 -1.40 0.00 0.00 0.00 0.00 0.00 19.45 18.49 2qai n ALA 18 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2qai n GLY 19 N 1.10 1.59 3.75 0.00 0.00 -0.94 -5.05 105.19 105.65 2qai n GLY 19 Ca 0.21 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.81 2qai n GLY 19 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2qai s VAL 20 N -1.57 2.01 0.00 1.61 1.01 -0.42 -4.94 120.40 118.11 2qai s VAL 20 Ca 0.00 0.01 -0.25 0.00 0.00 0.00 0.00 61.98 61.74 2qai s VAL 20 Cb 0.00 -3.00 -0.18 0.00 0.00 0.00 0.00 36.38 33.19 2qai s VAL 20 CO 0.00 0.00 1.33 0.45 0.00 0.00 0.00 175.10 176.88 2qai h HIS 21 N 5.11 -0.09 -4.18 5.22 -0.00 -1.73 -3.41 115.15 116.07 2qai h HIS 21 Ca -0.47 -0.00 -0.60 0.00 -0.00 0.00 0.00 60.37 59.31 2qai h HIS 21 Cb 1.22 0.03 -0.26 0.00 -0.00 0.00 0.00 27.41 28.40 2qai h HIS 21 CO 0.59 0.28 -0.85 -1.21 -0.00 0.00 0.00 177.93 176.74 2qai s GLU 22 N -4.66 1.44 -0.01 2.45 2.02 -1.03 -5.04 118.70 113.87 2qai s GLU 22 Ca -0.15 -0.97 0.00 0.00 0.02 0.00 0.00 54.97 53.87 2qai s GLU 22 Cb 0.02 -1.57 0.02 0.00 0.10 0.00 0.00 34.13 32.71 2qai s GLU 22 CO 0.64 0.40 0.02 0.00 0.02 0.00 0.00 175.26 176.33 2qai s ALA 23 N -0.81 0.05 -0.12 5.21 0.00 -1.26 -0.86 121.76 123.98 2qai s ALA 23 Ca 0.08 0.18 0.00 0.00 0.00 0.00 0.00 51.96 52.22 2qai s ALA 23 Cb -0.09 -0.15 0.02 0.00 0.00 0.00 0.00 23.12 22.91 2qai s ALA 23 CO 0.02 -0.06 -0.10 0.71 0.00 0.00 0.00 175.76 176.33 2qai s TYR 24 N 0.62 1.64 0.30 0.00 2.02 0.02 -4.98 117.35 116.96 2qai s TYR 24 Ca -0.05 -0.82 -0.20 0.00 -0.37 0.00 0.00 57.07 55.63 2qai s TYR 24 Cb -0.08 -1.30 -0.09 0.00 -0.40 0.00 0.00 41.96 40.10 2qai s TYR 24 CO -0.02 -0.52 0.80 -1.21 -1.57 0.00 0.00 175.55 173.03 2qai s GLU 25 N 1.53 4.24 -0.05 -0.62 8.01 -1.26 -1.80 118.70 128.75 2qai s GLU 25 Ca 0.03 0.94 -0.18 0.00 0.01 0.00 0.00 54.97 55.76 2qai s GLU 25 Cb -0.13 -2.64 0.04 0.00 -4.31 0.00 0.00 34.13 27.08 2qai s GLU 25 CO -0.07 0.25 0.41 0.71 0.01 0.00 0.00 175.26 176.57 2qai s TYR 26 N -1.76 -0.34 0.05 1.61 2.02 0.65 -4.88 117.35 114.69 2qai s TYR 26 Ca 0.50 0.63 0.01 0.00 -0.37 0.00 0.00 57.07 57.84 2qai s TYR 26 Cb -0.14 0.17 0.01 0.00 -0.40 0.00 0.00 41.96 41.60 2qai s TYR 26 CO 0.19 -0.40 0.04 -0.40 -1.57 0.00 0.00 175.55 173.42 2qai n ASP 27 N 1.55 0.89 -1.04 2.29 5.68 -1.26 -3.86 116.55 120.80 2qai n ASP 27 Ca -0.19 -1.16 0.10 0.00 -0.50 0.00 0.00 54.79 53.04 2qai n ASP 27 Cb 0.56 -0.01 0.26 0.00 -1.14 0.00 0.00 41.12 40.79 2qai n ASP 27 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 2qai n GLU 28 N -0.74 2.32 -1.48 0.11 1.02 -1.26 -4.38 120.64 116.22 2qai n GLU 28 Ca 0.00 -2.03 -0.33 0.00 -0.02 0.00 0.00 57.16 54.78 2qai n GLU 28 Cb 0.05 -1.46 0.08 0.00 -0.02 0.00 0.00 31.44 30.10 2qai n GLU 28 CO 0.00 0.00 0.00 -1.54 1.18 0.00 0.00 177.13 176.77 2qai s SER 29 N -1.14 4.44 0.16 1.62 1.04 -1.26 -4.80 113.70 113.76 2qai s SER 29 Ca 0.38 2.18 -0.16 0.00 0.48 0.00 0.00 55.95 58.84 2qai s SER 29 Cb 0.20 -2.57 0.08 0.00 0.10 0.00 0.00 66.02 63.83 2qai s SER 29 CO 0.27 -2.09 1.75 -0.07 0.98 0.00 0.00 173.24 174.09 2qai h LEU 30 N -0.35 0.15 -0.75 2.42 3.38 -1.99 -0.41 115.31 117.76 2qai h LEU 30 Ca -0.47 0.04 -0.03 0.00 0.09 0.00 0.00 57.88 57.51 2qai h LEU 30 Cb 1.27 0.02 -0.03 0.00 0.09 0.00 0.00 40.66 42.01 2qai h LEU 30 CO 0.51 0.12 0.35 1.05 0.09 0.00 0.00 178.44 180.56 2qai h GLU 31 N 0.30 1.09 -0.47 1.13 4.11 -1.98 -0.47 114.58 118.29 2qai h GLU 31 Ca 0.17 -0.16 -0.11 0.00 0.07 0.00 0.00 59.36 59.33 2qai h GLU 31 Cb 0.15 -0.19 -0.02 0.00 0.50 0.00 0.00 28.75 29.19 2qai h GLU 31 CO -0.17 0.85 -0.16 1.03 0.07 0.00 0.00 179.01 180.63 2qai h SER 32 N 1.06 0.91 -0.56 3.06 0.87 -1.80 -1.80 113.55 115.29 2qai h SER 32 Ca 0.26 -0.31 -0.08 0.00 -1.23 0.00 0.00 61.79 60.42 2qai h SER 32 Cb 0.13 -0.25 -0.02 0.00 -0.44 0.00 0.00 62.40 61.82 2qai h SER 32 CO -0.03 1.06 0.04 0.58 -0.53 0.00 0.00 176.83 177.95 2qai h VAL 33 N 0.80 1.26 -0.33 2.23 2.07 -0.65 -1.30 116.25 120.32 2qai h VAL 33 Ca 0.12 -1.06 -0.06 0.00 0.82 0.00 0.00 66.70 66.51 2qai h VAL 33 Cb 0.70 0.76 -0.02 0.00 -1.52 0.00 0.00 31.29 31.21 2qai h VAL 33 CO 0.05 0.39 -0.06 -0.08 0.02 0.00 0.00 177.57 177.89 2qai h GLU 34 N 0.92 0.54 -0.08 1.57 4.57 -0.86 -0.87 114.58 120.38 2qai h GLU 34 Ca 0.18 -0.14 -0.13 0.00 -1.18 0.00 0.00 59.36 58.09 2qai h GLU 34 Cb 0.48 -0.07 -0.01 0.00 -0.16 0.00 0.00 28.75 28.99 2qai h GLU 34 CO 0.02 0.61 -0.53 0.00 -1.18 0.00 0.00 179.01 177.93 2qai h ARG 35 N 0.51 0.22 -0.47 1.92 3.08 -0.81 -2.65 114.38 116.17 2qai h ARG 35 Ca 0.10 -0.13 -0.09 0.00 0.07 0.00 0.00 59.98 59.94 2qai h ARG 35 Cb 0.42 0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.46 2qai h ARG 35 CO 0.02 0.69 -0.05 0.00 -1.07 0.00 0.00 179.97 179.56 2qai h ALA 36 N 1.29 0.63 -0.09 0.04 0.00 -0.22 -0.77 119.26 120.14 2qai h ALA 36 Ca 0.00 -0.30 0.03 0.00 0.00 0.00 0.00 54.91 54.64 2qai h ALA 36 Cb 0.98 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.57 2qai h ALA 36 CO 0.08 0.48 -0.10 0.00 0.00 0.00 0.00 179.25 179.71 2qai h ARG 37 N 0.70 -0.12 -0.81 0.00 3.08 -1.00 -0.08 114.38 116.15 2qai h ARG 37 Ca 0.13 0.01 -0.01 0.00 0.07 0.00 0.00 59.98 60.17 2qai h ARG 37 Cb 0.57 0.03 -0.04 0.00 0.08 0.00 0.00 29.97 30.61 2qai h ARG 37 CO 0.03 -0.08 0.46 -0.91 -1.07 0.00 0.00 179.97 178.41 2qai h ASN 38 N -0.12 1.00 -0.39 7.04 2.35 -1.38 -2.10 115.58 121.98 2qai h ASN 38 Ca 0.07 -0.09 -0.00 0.00 -0.55 0.00 0.00 56.30 55.73 2qai h ASN 38 Cb 0.22 -0.25 -0.02 0.00 0.05 0.00 0.00 38.32 38.32 2qai h ASN 38 CO -0.17 0.80 0.24 0.50 -1.65 0.00 0.00 177.43 177.15 2qai h LYS 39 N 1.12 0.53 -0.20 0.81 1.63 -0.60 -1.41 116.57 118.46 2qai h LYS 39 Ca 0.29 -0.05 0.04 0.00 -0.85 0.00 0.00 60.65 60.08 2qai h LYS 39 Cb 0.00 -0.11 -0.04 0.00 -0.60 0.00 0.00 32.23 31.48 2qai h LYS 39 CO -0.05 0.39 -0.05 1.25 -3.45 0.00 0.00 179.45 177.54 2qai h LEU 40 N 0.52 -0.18 -1.36 5.20 6.46 -0.77 0.21 115.31 125.39 2qai h LEU 40 Ca 0.14 0.06 0.07 0.00 -0.12 0.00 0.00 57.88 58.03 2qai h LEU 40 Cb -0.01 0.12 -0.05 0.00 -0.73 0.00 0.00 40.66 39.99 2qai h LEU 40 CO -0.03 -0.06 0.49 -0.09 -0.62 0.00 0.00 178.44 178.13 2qai h ARG 41 N 0.00 0.73 -0.17 1.25 2.43 -1.07 -1.88 114.38 115.67 2qai h ARG 41 Ca 0.10 -0.04 -0.22 0.00 -0.81 0.00 0.00 59.98 59.01 2qai h ARG 41 Cb 0.14 -0.17 0.01 0.00 -0.42 0.00 0.00 29.97 29.54 2qai h ARG 41 CO -0.20 0.49 -0.73 1.49 -1.51 0.00 0.00 179.97 179.50 2qai h GLU 42 N 0.76 0.80 -0.28 0.20 4.81 -0.33 -3.18 114.58 117.35 2qai h GLU 42 Ca 0.33 -0.63 -0.03 0.00 -0.13 0.00 0.00 59.36 58.90 2qai h GLU 42 Cb 0.31 0.12 -0.02 0.00 0.63 0.00 0.00 28.75 29.80 2qai h GLU 42 CO -0.11 1.24 0.04 -0.07 -0.73 0.00 0.00 179.01 179.38 2qai h LEU 43 N 0.55 0.38 -1.46 1.64 3.38 -0.31 -1.45 115.31 118.04 2qai h LEU 43 Ca -0.04 -0.05 -0.06 0.00 0.09 0.00 0.00 57.88 57.82 2qai h LEU 43 Cb 1.36 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 42.01 2qai h LEU 43 CO 0.15 0.41 -0.27 -0.07 0.09 0.00 0.00 178.44 178.76 2qai h LEU 44 N 0.41 0.00 -0.12 1.67 3.38 -1.35 -2.55 115.31 116.76 2qai h LEU 44 Ca 0.10 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.06 2qai h LEU 44 Cb 0.21 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.96 2qai h LEU 44 CO 0.00 0.27 -0.22 -0.62 0.09 0.00 0.00 178.44 177.97 2qai n GLU 45 N -4.22 0.30 -2.99 1.13 1.02 -0.57 -4.85 120.64 110.46 2qai n GLU 45 Ca -0.02 -0.12 -0.39 0.00 -0.02 0.00 0.00 57.16 56.61 2qai n GLU 45 Cb 0.32 -1.50 -0.06 0.00 -0.02 0.00 0.00 31.44 30.18 2qai n GLU 45 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 2qai s ARG 46 N -2.78 4.55 0.15 3.49 0.52 -0.96 -4.96 118.95 118.95 2qai s ARG 46 Ca 0.19 1.14 0.25 0.00 -0.52 0.00 0.00 55.73 56.79 2qai s ARG 46 Cb 0.19 -3.27 0.58 0.00 0.52 0.00 0.00 34.95 32.96 2qai s ARG 46 CO 0.57 0.54 1.54 -0.25 0.02 0.00 0.00 175.30 177.71 2qai n ASP 47 N 1.75 0.71 -1.59 0.23 8.00 -1.26 -3.66 116.55 120.74 2qai n ASP 47 Ca -0.05 0.31 0.10 0.00 0.71 0.00 0.00 54.79 55.85 2qai n ASP 47 Cb 0.49 -0.26 0.36 0.00 -0.02 0.00 0.00 41.12 41.69 2qai n ASP 47 CO 0.00 0.00 0.00 -0.90 -0.39 0.00 0.00 177.20 175.91 2qai n ASP 48 N -2.13 4.75 -4.14 -2.24 3.85 -1.26 -4.85 116.55 110.53 2qai n ASP 48 Ca 0.04 -2.42 -0.34 0.00 -0.71 0.00 0.00 54.79 51.36 2qai n ASP 48 Cb 0.43 -0.58 -0.14 0.00 -1.35 0.00 0.00 41.12 39.48 2qai n ASP 48 CO 0.00 0.00 0.00 -0.69 -1.01 0.00 0.00 177.20 175.50 2qai s VAL 49 N -1.80 2.76 -0.13 2.12 1.01 -1.24 0.86 120.40 123.97 2qai s VAL 49 Ca 0.51 -1.53 0.19 0.00 0.00 0.00 0.00 61.98 61.16 2qai s VAL 49 Cb 0.33 -2.63 -0.28 0.00 0.00 0.00 0.00 36.38 33.80 2qai s VAL 49 CO 0.25 -0.14 0.23 0.61 0.00 0.00 0.00 175.10 176.06 2qai n GLY 50 N 4.55 -0.98 2.88 4.51 0.00 -0.32 -4.62 105.19 111.21 2qai n GLY 50 Ca -0.12 -0.41 -0.17 0.00 0.00 0.00 0.00 46.02 45.33 2qai n GLY 50 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2qai s ILE 51 N -2.89 0.30 -0.20 -0.61 1.01 -1.09 -0.60 121.20 117.13 2qai s ILE 51 Ca -0.09 -0.05 0.01 0.00 0.00 0.00 0.00 60.65 60.52 2qai s ILE 51 Cb 0.09 -0.33 0.03 0.00 0.01 0.00 0.00 42.46 42.26 2qai s ILE 51 CO 0.85 0.14 -0.17 -0.63 0.00 0.00 0.00 174.94 175.13 2qai s ILE 52 N 0.57 2.00 -0.21 2.92 1.01 0.37 0.04 121.20 127.90 2qai s ILE 52 Ca -0.06 -1.07 -0.08 0.00 0.00 0.00 0.00 60.65 59.43 2qai s ILE 52 Cb -0.09 -1.90 -0.04 0.00 0.01 0.00 0.00 42.46 40.43 2qai s ILE 52 CO -0.01 0.37 0.09 -0.76 0.00 0.00 0.00 174.94 174.63 2qai s LEU 53 N 1.28 3.81 -0.01 2.97 1.43 0.23 -0.76 118.68 127.62 2qai s LEU 53 Ca 0.01 0.03 0.01 0.00 -1.03 0.00 0.00 54.13 53.15 2qai s LEU 53 Cb -0.15 -1.99 0.01 0.00 0.03 0.00 0.00 46.19 44.09 2qai s LEU 53 CO -0.11 0.11 -0.02 -0.51 0.23 0.00 0.00 176.35 176.05 2qai s ILE 54 N 0.79 0.24 0.74 -0.59 2.07 -0.16 -4.00 121.20 120.27 2qai s ILE 54 Ca 0.05 -0.06 -0.15 0.00 -1.41 0.00 0.00 60.65 59.08 2qai s ILE 54 Cb -0.13 -0.25 0.03 0.00 0.13 0.00 0.00 42.46 42.24 2qai s ILE 54 CO 0.02 0.10 1.11 0.35 -1.91 0.00 0.00 174.94 174.61 2qai n THR 55 N 3.45 2.94 -0.16 4.00 -2.24 -1.26 -0.48 114.28 120.52 2qai n THR 55 Ca -0.18 -0.34 -0.07 0.00 -2.27 0.00 0.00 64.05 61.19 2qai n THR 55 Cb 0.55 -1.21 0.01 0.00 -2.10 0.00 0.00 70.33 67.59 2qai n THR 55 CO 0.00 0.00 0.00 -0.08 -0.57 0.00 0.00 175.07 174.42 2qai h GLU 56 N -0.34 0.65 0.45 -0.78 4.81 -1.25 -2.15 114.58 115.97 2qai h GLU 56 Ca -0.48 -0.05 -0.01 0.00 -0.13 0.00 0.00 59.36 58.69 2qai h GLU 56 Cb 1.32 -0.14 -0.02 0.00 0.63 0.00 0.00 28.75 30.54 2qai h GLU 56 CO 0.48 0.46 -0.47 0.00 -0.73 0.00 0.00 179.01 178.75 2qai h ARG 57 N 0.64 -0.90 -0.47 1.92 2.47 -1.91 -1.72 114.38 114.43 2qai h ARG 57 Ca 0.17 0.06 0.07 0.00 -1.26 0.00 0.00 59.98 59.03 2qai h ARG 57 Cb -0.02 0.20 -0.06 0.00 -1.65 0.00 0.00 29.97 28.44 2qai h ARG 57 CO -0.03 -0.60 0.12 1.25 0.56 0.00 0.00 179.97 181.27 2qai h LEU 58 N -0.93 0.07 -0.88 3.04 5.85 -1.92 0.14 115.31 120.68 2qai h LEU 58 Ca -0.05 0.07 0.08 0.00 0.84 0.00 0.00 57.88 58.82 2qai h LEU 58 Cb 0.82 0.09 -0.07 0.00 0.37 0.00 0.00 40.66 41.87 2qai h LEU 58 CO -0.07 0.07 0.53 0.00 -0.34 0.00 0.00 178.44 178.63 2qai h ALA 59 N 1.34 1.23 -0.03 1.25 0.00 -1.25 0.20 119.26 122.00 2qai h ALA 59 Ca 0.23 0.01 -0.15 0.00 0.00 0.00 0.00 54.91 55.00 2qai h ALA 59 Cb 0.28 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 2qai h ALA 59 CO -0.28 0.23 -0.66 1.96 0.00 0.00 0.00 179.25 180.50 2qai h GLN 60 N 0.93 0.12 -0.43 0.00 4.20 -0.32 -1.44 115.11 118.17 2qai h GLN 60 Ca 0.40 -0.09 -0.11 0.00 0.06 0.00 0.00 58.65 58.91 2qai h GLN 60 Cb 0.27 0.02 -0.01 0.00 0.30 0.00 0.00 27.48 28.05 2qai h GLN 60 CO -0.21 0.73 -0.15 0.00 -0.67 0.00 0.00 178.83 178.53 2qai h ARG 61 N 0.08 0.86 -0.46 1.46 2.47 0.50 -2.84 114.38 116.44 2qai h ARG 61 Ca -0.01 -0.35 -0.01 0.00 -1.26 0.00 0.00 59.98 58.35 2qai h ARG 61 Cb 1.17 -0.04 -0.02 0.00 -1.65 0.00 0.00 29.97 29.44 2qai h ARG 61 CO 0.09 0.99 0.24 0.82 0.56 0.00 0.00 179.97 182.67 2qai h ILE 62 N 0.68 1.17 0.00 2.04 2.04 -0.56 -3.48 117.51 119.40 2qai h ILE 62 Ca 0.10 -0.46 0.00 0.00 1.00 0.00 0.00 64.86 65.50 2qai h ILE 62 Cb 0.70 0.63 0.00 0.00 -0.74 0.00 0.00 36.82 37.42 2qai h ILE 62 CO 0.05 0.18 0.00 0.61 0.00 0.00 0.00 178.15 179.00 2qai n GLY 63 N -0.96 0.84 3.71 5.37 0.00 -0.55 -4.96 105.19 108.64 2qai n GLY 63 Ca 0.01 -0.76 -0.42 0.00 0.00 0.00 0.00 46.02 44.85 2qai n GLY 63 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2qai s SER 64 N -4.00 6.87 0.02 1.61 0.15 -1.26 -4.80 113.70 112.29 2qai s SER 64 Ca 0.00 2.22 0.05 0.00 0.70 0.00 0.00 55.95 58.92 2qai s SER 64 Cb 0.00 -2.58 -0.03 0.00 -1.71 0.00 0.00 66.02 61.70 2qai s SER 64 CO 0.00 -0.64 -0.13 -0.22 1.20 0.00 0.00 173.24 173.44 2qai s LEU 65 N 1.47 2.83 0.73 3.45 2.96 -1.26 -5.10 118.68 123.75 2qai s LEU 65 Ca 0.63 -0.30 -0.16 0.00 -0.22 0.00 0.00 54.13 54.09 2qai s LEU 65 Cb -0.34 -1.64 -0.02 0.00 0.50 0.00 0.00 46.19 44.69 2qai s LEU 65 CO 0.29 0.27 0.66 -2.65 -1.32 0.00 0.00 176.35 173.60 2qai n PRO 66 N 1.62 0.34 -0.38 0.98 -0.02 -1.26 -4.92 135.00 131.35 2qai n PRO 66 Ca -0.16 0.16 0.09 0.00 -2.02 0.00 0.00 63.50 61.57 2qai n PRO 66 Cb 0.52 -1.94 0.24 0.00 -0.02 0.00 0.00 33.50 32.30 2qai n PRO 66 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 2qai n GLU 67 N -1.11 2.67 -1.22 -0.52 -0.58 -1.26 -5.04 120.64 113.58 2qai n GLU 67 Ca 0.11 -2.79 -0.30 0.00 -0.42 0.00 0.00 57.16 53.76 2qai n GLU 67 Cb 0.50 -1.78 0.14 0.00 -0.57 0.00 0.00 31.44 29.72 2qai n GLU 67 CO 0.00 0.00 0.00 0.14 -0.48 0.00 0.00 177.13 176.79 2qai s VAL 68 N -2.81 2.67 -0.21 2.62 -7.23 -1.26 -4.99 120.40 109.18 2qai s VAL 68 Ca 0.40 0.22 0.12 0.00 -1.81 0.00 0.00 61.98 60.91 2qai s VAL 68 Cb 0.33 -2.72 -0.21 0.00 0.56 0.00 0.00 36.38 34.34 2qai s VAL 68 CO 0.08 -0.28 -0.03 1.17 -0.31 0.00 0.00 175.10 175.73 2qai n LYS 69 N -3.86 0.77 -3.97 4.82 4.81 -1.26 -4.91 118.16 114.56 2qai n LYS 69 Ca 0.07 0.04 -0.16 0.00 -0.87 0.00 0.00 58.31 57.39 2qai n LYS 69 Cb 0.55 -1.50 -0.16 0.00 0.02 0.00 0.00 35.03 33.95 2qai n LYS 69 CO 0.00 0.00 0.00 0.12 1.17 0.00 0.00 177.40 178.69 2qai s PHE 70 N -2.48 0.33 1.17 5.64 2.19 -1.26 -4.07 117.98 119.49 2qai s PHE 70 Ca -0.18 -0.02 -0.16 0.00 0.33 0.00 0.00 56.93 56.91 2qai s PHE 70 Cb 0.07 -0.37 0.27 0.00 -1.31 0.00 0.00 43.02 41.68 2qai s PHE 70 CO 0.72 -0.10 1.05 -1.25 1.83 0.00 0.00 175.22 177.47 2qai s PRO 71 N 0.76 -0.95 -0.21 10.12 0.04 -1.26 -5.11 135.00 138.39 2qai s PRO 71 Ca -0.08 0.40 -0.21 0.00 0.04 0.00 0.00 61.00 61.15 2qai s PRO 71 Cb -0.11 -1.59 -0.02 0.00 0.04 0.00 0.00 34.50 32.82 2qai s PRO 71 CO -0.01 -3.63 0.63 0.42 0.04 0.00 0.00 177.00 174.45 2qai s ILE 72 N -2.72 5.01 -0.20 0.56 1.01 0.24 -4.92 121.20 120.18 2qai s ILE 72 Ca 0.68 1.18 -0.06 0.00 0.00 0.00 0.00 60.65 62.46 2qai s ILE 72 Cb -0.18 -3.95 -0.03 0.00 0.01 0.00 0.00 42.46 38.32 2qai s ILE 72 CO 0.59 0.09 0.01 -0.63 0.00 0.00 0.00 174.94 175.01 2qai s ILE 73 N 2.03 4.08 -0.03 2.92 1.01 -1.26 -0.48 121.20 129.47 2qai s ILE 73 Ca 0.28 -0.27 0.04 0.00 0.00 0.00 0.00 60.65 60.71 2qai s ILE 73 Cb -0.16 -2.85 -0.01 0.00 0.01 0.00 0.00 42.46 39.45 2qai s ILE 73 CO 0.10 0.42 -0.16 -0.76 0.00 0.00 0.00 174.94 174.54 2qai s LEU 74 N 1.00 1.95 0.09 2.97 1.43 0.06 -4.98 118.68 121.20 2qai s LEU 74 Ca 0.02 -0.31 -0.10 0.00 -1.03 0.00 0.00 54.13 52.71 2qai s LEU 74 Cb -0.14 -0.88 -0.06 0.00 0.03 0.00 0.00 46.19 45.14 2qai s LEU 74 CO 0.02 0.17 0.42 -1.10 0.23 0.00 0.00 176.35 176.08 2qai s GLN 75 N -0.13 3.78 -0.26 1.70 -0.21 -1.26 -0.99 119.66 122.29 2qai s GLN 75 Ca 0.01 0.20 -0.10 0.00 0.02 0.00 0.00 55.36 55.49 2qai s GLN 75 Cb -0.09 -2.98 -0.05 0.00 1.00 0.00 0.00 33.01 30.90 2qai s GLN 75 CO 0.01 0.54 0.15 0.42 -2.12 0.00 0.00 175.29 174.30 2qai s ILE 76 N -1.42 5.09 0.30 1.08 1.01 0.37 -4.88 121.20 122.75 2qai s ILE 76 Ca 0.34 0.09 -0.30 0.00 0.00 0.00 0.00 60.65 60.79 2qai s ILE 76 Cb -0.14 -3.40 -0.12 0.00 0.01 0.00 0.00 42.46 38.81 2qai s ILE 76 CO 0.18 0.30 1.49 -2.65 0.00 0.00 0.00 174.94 174.27 2qai n PRO 77 N 4.80 2.47 -0.84 2.79 -0.02 -1.26 -0.72 135.00 142.22 2qai n PRO 77 Ca -0.15 0.88 -0.32 0.00 -2.02 0.00 0.00 63.50 61.89 2qai n PRO 77 Cb 0.52 -2.59 0.15 0.00 -0.02 0.00 0.00 33.50 31.56 2qai n PRO 77 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 2qai s ASP 78 N 0.24 3.17 0.00 2.55 2.15 -1.26 -4.84 116.67 118.67 2qai s ASP 78 Ca 0.62 2.24 0.00 0.00 0.43 0.00 0.00 52.55 55.84 2qai s ASP 78 Cb -0.54 -2.57 0.00 0.00 -0.30 0.00 0.00 42.92 39.51 2qai s ASP 78 CO 0.53 -2.94 0.00 -0.62 -0.17 0.00 0.00 175.17 171.97 2qai n GLU 86 N -3.92 0.00 -1.06 4.34 4.71 -1.26 -5.10 120.64 118.35 2qai n GLU 86 Ca 0.12 0.00 0.03 0.00 -0.01 0.00 0.00 57.16 57.30 2qai n GLU 86 Cb 0.52 0.00 0.02 0.00 -1.01 0.00 0.00 31.44 30.97 2qai n GLU 86 CO 0.00 0.00 0.00 -0.25 0.09 0.00 0.00 177.13 176.97 2qai n ASP 87 N 0.00 0.67 -0.14 1.62 10.43 -1.26 -4.54 116.55 123.32 2qai n ASP 87 Ca 0.00 -2.08 0.01 0.00 2.57 0.00 0.00 54.79 55.29 2qai n ASP 87 Cb 0.00 -0.27 0.29 0.00 1.84 0.00 0.00 41.12 42.98 2qai n ASP 87 CO 0.00 0.00 0.00 0.40 -1.07 0.00 0.00 177.20 176.53 2qai h ILE 88 N 6.66 1.17 0.04 0.53 1.08 -2.00 0.17 117.51 125.15 2qai h ILE 88 Ca -0.13 -0.35 -0.00 0.00 -0.39 0.00 0.00 64.86 63.99 2qai h ILE 88 Cb 1.66 0.27 0.00 0.00 -3.07 0.00 0.00 36.82 35.68 2qai h ILE 88 CO 0.06 0.17 -0.02 0.25 -0.69 0.00 0.00 178.15 177.92 2qai h LEU 89 N 0.86 -0.04 -1.27 1.44 6.46 -1.92 -2.06 115.31 118.78 2qai h LEU 89 Ca 0.23 -0.64 -0.05 0.00 -0.12 0.00 0.00 57.88 57.30 2qai h LEU 89 Cb -0.06 0.01 -0.02 0.00 -0.73 0.00 0.00 40.66 39.87 2qai h LEU 89 CO -0.05 0.67 -0.05 0.03 -0.62 0.00 0.00 178.44 178.42 2qai h ARG 90 N -0.80 0.43 -0.13 1.25 3.08 -1.88 -2.07 114.38 114.26 2qai h ARG 90 Ca -0.01 -0.10 -0.03 0.00 0.07 0.00 0.00 59.98 59.92 2qai h ARG 90 Cb 0.68 -0.06 -0.00 0.00 0.08 0.00 0.00 29.97 30.67 2qai h ARG 90 CO 0.01 0.50 -0.03 0.22 -1.07 0.00 0.00 179.97 179.60 2qai h ASP 91 N 0.41 0.25 -0.25 7.04 1.82 -0.72 -2.00 116.42 122.98 2qai h ASP 91 Ca 0.09 -0.36 0.00 0.00 -0.39 0.00 0.00 57.03 56.36 2qai h ASP 91 Cb 0.35 -0.07 -0.01 0.00 0.68 0.00 0.00 39.33 40.28 2qai h ASP 91 CO 0.02 0.56 0.16 -0.37 -1.61 0.00 0.00 179.24 177.99 2qai h VAL 92 N -0.05 1.07 -0.20 2.25 -1.51 -1.12 0.20 116.25 116.88 2qai h VAL 92 Ca 0.03 -0.15 -0.04 0.00 -1.23 0.00 0.00 66.70 65.31 2qai h VAL 92 Cb 0.45 0.73 -0.01 0.00 -2.13 0.00 0.00 31.29 30.33 2qai h VAL 92 CO 0.01 0.07 -0.07 0.58 -1.23 0.00 0.00 177.57 176.93 2qai h VAL 93 N 0.32 1.17 -0.02 7.19 2.07 -1.41 -0.51 116.25 125.06 2qai h VAL 93 Ca 0.09 -0.71 -0.01 0.00 0.82 0.00 0.00 66.70 66.89 2qai h VAL 93 Cb -0.02 1.10 -0.00 0.00 -1.52 0.00 0.00 31.29 30.85 2qai h VAL 93 CO -0.02 0.23 -0.01 0.03 0.02 0.00 0.00 177.57 177.82 2qai h ARG 94 N 0.30 0.03 -0.86 1.57 -0.00 -0.77 -3.06 114.38 111.60 2qai h ARG 94 Ca 0.06 -0.02 0.01 0.00 -0.50 0.00 0.00 59.98 59.54 2qai h ARG 94 Cb 0.32 -0.00 -0.04 0.00 0.00 0.00 0.00 29.97 30.25 2qai h ARG 94 CO 0.01 0.47 0.57 0.00 0.00 0.00 0.00 179.97 181.02 2qai h ARG 95 N -0.40 1.13 -0.02 0.04 3.08 -0.74 -1.05 114.38 116.41 2qai h ARG 95 Ca 0.00 -0.07 0.01 0.00 0.07 0.00 0.00 59.98 59.99 2qai h ARG 95 Cb 0.46 -0.25 -0.00 0.00 0.08 0.00 0.00 29.97 30.25 2qai h ARG 95 CO 0.00 0.75 0.07 0.00 -1.07 0.00 0.00 179.97 179.72 2qai h ALA 96 N 1.46 1.22 -0.01 0.04 0.00 -1.01 -3.22 119.26 117.74 2qai h ALA 96 Ca 0.32 -0.00 -0.68 0.00 0.00 0.00 0.00 54.91 54.54 2qai h ALA 96 Cb -0.13 0.00 0.01 0.00 0.00 0.00 0.00 17.79 17.67 2qai h ALA 96 CO -0.07 -0.08 3.64 -0.89 0.00 0.00 0.00 179.25 181.85 2qai n ILE 97 N -3.26 4.09 -1.17 0.00 5.41 -0.40 -4.43 119.36 119.60 2qai n ILE 97 Ca -0.02 -2.73 -0.11 0.00 1.00 0.00 0.00 62.75 60.88 2qai n ILE 97 Cb 0.14 -2.61 0.24 0.00 -0.71 0.00 0.00 39.64 36.71 2qai n ILE 97 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 2qai n GLY 98 N 3.71 4.16 0.00 7.39 0.00 -1.22 -5.07 105.19 114.15 2qai n GLY 98 Ca 0.71 -1.07 0.08 0.00 0.00 0.00 0.00 46.02 45.75 2qai n GLY 98 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70