#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3cqb h LEU 6 N 0.00 -0.04 -1.54 0.00 5.85 -1.98 -3.36 115.31 114.24 3cqb h LEU 6 Ca 0.00 -0.66 -0.02 0.00 0.84 0.00 0.00 57.88 58.05 3cqb h LEU 6 Cb 0.00 0.01 -0.02 0.00 0.37 0.00 0.00 40.66 41.02 3cqb h LEU 6 CO 0.00 0.68 0.11 -0.09 -0.34 0.00 0.00 178.44 178.80 3cqb h ARG 7 N -0.80 0.41 0.00 1.25 2.43 -1.95 -1.16 114.38 114.57 3cqb h ARG 7 Ca -0.00 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.12 3cqb h ARG 7 Cb 0.69 -0.08 0.00 0.00 -0.42 0.00 0.00 29.97 30.16 3cqb h ARG 7 CO 0.01 0.35 0.00 0.66 -1.51 0.00 0.00 179.97 179.48 3cqb h SER 8 N 0.41 0.00 -0.11 -3.80 4.64 -1.98 -2.71 113.55 110.01 3cqb h SER 8 Ca 0.10 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.42 3cqb h SER 8 Cb 0.10 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.19 3cqb h SER 8 CO -0.01 0.00 0.00 1.33 -0.87 0.00 0.00 176.83 177.28 3cqb n VAL 9 N -2.92 0.20 -2.04 0.95 0.24 -0.89 -4.98 118.33 108.89 3cqb n VAL 9 Ca 0.03 -0.60 -0.12 0.00 -2.04 0.00 0.00 64.34 61.60 3cqb n VAL 9 Cb 0.39 1.15 -0.02 0.00 -1.47 0.00 0.00 33.84 33.90 3cqb n VAL 9 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3cqb n GLY 10 N 0.84 0.18 0.00 7.63 0.00 -1.02 -4.67 105.19 108.15 3cqb n GLY 10 Ca 0.10 -0.40 0.00 0.00 0.00 0.00 0.00 46.02 45.72 3cqb n GLY 10 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3cqb n GLY 11 N -1.12 -3.27 2.93 -0.02 0.00 -0.49 -4.75 105.19 98.48 3cqb n GLY 11 Ca -0.14 -1.22 -0.12 0.00 0.00 0.00 0.00 46.02 44.54 3cqb n GLY 11 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3cqb s VAL 13 N -0.06 0.01 -0.48 1.61 1.01 -1.26 -4.78 120.40 116.44 3cqb s VAL 13 Ca 0.00 -0.08 -0.19 0.00 0.00 0.00 0.00 61.98 61.71 3cqb s VAL 13 Cb 0.00 -0.10 0.05 0.00 0.00 0.00 0.00 36.38 36.32 3cqb s VAL 13 CO 0.00 -0.05 0.60 -0.63 0.00 0.00 0.00 175.10 175.03 3cqb s ILE 14 N -0.12 4.89 0.09 2.22 1.01 -0.30 -4.93 121.20 124.07 3cqb s ILE 14 Ca -0.02 -0.37 0.04 0.00 0.00 0.00 0.00 60.65 60.31 3cqb s ILE 14 Cb -0.01 -4.25 -0.23 0.00 0.01 0.00 0.00 42.46 37.98 3cqb s ILE 14 CO 0.00 -0.72 1.17 -0.33 0.00 0.00 0.00 174.94 175.07 3cqb h GLU 15 N 8.94 0.07 -2.50 2.79 5.08 -2.03 -3.43 114.58 123.50 3cqb h GLU 15 Ca -0.27 -0.12 -0.07 0.00 -1.00 0.00 0.00 59.36 57.90 3cqb h GLU 15 Cb 1.10 0.05 -0.18 0.00 0.50 0.00 0.00 28.75 30.22 3cqb h GLU 15 CO 0.93 1.01 0.07 -1.54 -1.00 0.00 0.00 179.01 178.48 3cqb s SER 16 N -6.77 -0.50 0.08 1.42 1.04 -1.26 -5.15 113.70 102.57 3cqb s SER 16 Ca -0.01 0.38 -0.29 0.00 0.48 0.00 0.00 55.95 56.51 3cqb s SER 16 Cb 0.09 0.49 -0.05 0.00 0.10 0.00 0.00 66.02 66.65 3cqb s SER 16 CO 0.84 -0.65 0.92 -2.16 0.98 0.00 0.00 173.24 173.17 3cqb s PRO 17 N -1.83 4.64 0.00 4.02 0.04 -1.26 -4.92 135.00 135.68 3cqb s PRO 17 Ca -0.09 1.36 0.00 0.00 0.04 0.00 0.00 61.00 62.32 3cqb s PRO 17 Cb -0.01 -3.39 0.00 0.00 0.04 0.00 0.00 34.50 31.14 3cqb s PRO 17 CO 0.03 0.19 0.76 0.54 0.04 0.00 0.00 177.00 178.57 3cqb n ARG 18 N 2.94 1.58 -3.85 4.56 1.74 -1.26 -4.88 116.66 117.48 3cqb n ARG 18 Ca 0.02 -1.04 -0.07 0.00 -0.77 0.00 0.00 57.85 55.98 3cqb n ARG 18 Cb 0.50 -0.85 -0.01 0.00 -1.02 0.00 0.00 32.46 31.07 3cqb n ARG 18 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 3cqb s ASN 19 N -0.57 -0.21 0.35 0.55 2.20 -1.26 -5.03 114.94 110.96 3cqb s ASN 19 Ca 0.00 -0.69 0.03 0.00 -0.94 0.00 0.00 52.86 51.26 3cqb s ASN 19 Cb 0.00 0.74 0.62 0.00 -2.00 0.00 0.00 41.25 40.62 3cqb s ASN 19 CO 0.00 -1.39 1.96 -0.33 -2.94 0.00 0.00 177.10 174.40 3cqb h GLU 20 N 2.00 0.73 -0.25 3.55 4.39 -1.99 -1.18 114.58 121.82 3cqb h GLU 20 Ca -0.21 -0.08 -0.07 0.00 0.34 0.00 0.00 59.36 59.34 3cqb h GLU 20 Cb 1.25 -0.15 -0.01 0.00 -0.10 0.00 0.00 28.75 29.75 3cqb h GLU 20 CO 0.26 0.56 -0.10 1.15 -1.16 0.00 0.00 179.01 179.71 3cqb h THR 21 N 0.73 1.30 -0.62 1.13 2.02 -1.99 -0.84 112.91 114.65 3cqb h THR 21 Ca 0.19 -1.17 -0.06 0.00 0.77 0.00 0.00 66.41 66.14 3cqb h THR 21 Cb 0.05 1.53 -0.03 0.00 -1.74 0.00 0.00 68.15 67.96 3cqb h THR 21 CO -0.03 0.36 0.16 -0.33 0.37 0.00 0.00 175.52 176.06 3cqb h GLU 22 N 0.25 0.98 -0.32 6.66 5.08 -1.89 -0.69 114.58 124.65 3cqb h GLU 22 Ca 0.06 -0.23 0.03 0.00 -1.00 0.00 0.00 59.36 58.22 3cqb h GLU 22 Cb 0.60 -0.13 -0.03 0.00 0.50 0.00 0.00 28.75 29.69 3cqb h GLU 22 CO 0.03 0.89 0.14 1.25 -1.00 0.00 0.00 179.01 180.32 3cqb h HIS 23 N 0.90 0.26 -0.45 4.33 2.76 -1.10 -0.77 115.15 121.07 3cqb h HIS 23 Ca 0.19 0.01 -0.02 0.00 -2.20 0.00 0.00 60.37 58.35 3cqb h HIS 23 Cb 0.34 -0.07 -0.02 0.00 1.55 0.00 0.00 27.41 29.21 3cqb h HIS 23 CO 0.02 0.13 0.19 2.35 -1.30 0.00 0.00 177.93 179.32 3cqb h TRP 24 N 0.30 0.68 -0.30 5.26 7.01 -0.92 -1.56 115.95 126.43 3cqb h TRP 24 Ca 0.14 -0.05 -0.02 0.00 2.11 0.00 0.00 58.89 61.07 3cqb h TRP 24 Cb 0.08 -0.20 -0.01 0.00 -2.10 0.00 0.00 29.16 26.92 3cqb h TRP 24 CO -0.11 0.58 0.09 1.25 -2.79 0.00 0.00 178.44 177.45 3cqb h LEU 25 N 0.59 0.44 -0.42 0.65 5.85 -0.95 0.03 115.31 121.50 3cqb h LEU 25 Ca 0.15 -0.21 -0.02 0.00 0.84 0.00 0.00 57.88 58.64 3cqb h LEU 25 Cb 0.18 -0.11 -0.02 0.00 0.37 0.00 0.00 40.66 41.08 3cqb h LEU 25 CO -0.01 0.53 0.16 -0.07 -0.34 0.00 0.00 178.44 178.71 3cqb h LEU 26 N 0.32 0.58 -0.71 2.25 3.38 -1.08 -1.11 115.31 118.95 3cqb h LEU 26 Ca 0.10 -0.17 -0.11 0.00 0.09 0.00 0.00 57.88 57.79 3cqb h LEU 26 Cb 0.25 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.83 3cqb h LEU 26 CO -0.00 0.59 -0.16 -0.33 0.09 0.00 0.00 178.44 178.62 3cqb h GLU 27 N 0.53 0.83 0.16 1.13 4.39 -1.18 0.17 114.58 120.61 3cqb h GLU 27 Ca 0.14 -0.31 -0.01 0.00 0.34 0.00 0.00 59.36 59.52 3cqb h GLU 27 Cb 0.20 -0.05 0.00 0.00 -0.10 0.00 0.00 28.75 28.80 3cqb h GLU 27 CO -0.01 0.93 -0.08 1.15 -1.16 0.00 0.00 179.01 179.84 3cqb h THR 28 N 0.73 0.95 -0.70 1.13 2.02 -0.85 -0.28 112.91 115.91 3cqb h THR 28 Ca 0.11 -0.55 -0.07 0.00 0.77 0.00 0.00 66.41 66.67 3cqb h THR 28 Cb 0.68 1.29 -0.03 0.00 -1.74 0.00 0.00 68.15 68.34 3cqb h THR 28 CO 0.05 0.13 0.16 0.58 0.37 0.00 0.00 175.52 176.80 3cqb h VAL 29 N -0.49 1.26 -0.41 3.16 2.07 -1.14 -1.73 116.25 118.97 3cqb h VAL 29 Ca -0.02 -0.99 0.03 0.00 0.82 0.00 0.00 66.70 66.53 3cqb h VAL 29 Cb 0.38 0.55 -0.03 0.00 -1.52 0.00 0.00 31.29 30.67 3cqb h VAL 29 CO 0.04 0.38 0.22 1.23 0.02 0.00 0.00 177.57 179.46 3cqb h GLY 30 N 1.08 0.57 0.98 2.17 0.00 -0.60 0.20 103.07 107.46 3cqb h GLY 30 Ca 0.22 -0.16 -0.03 0.00 0.00 0.00 0.00 47.33 47.35 3cqb h GLY 30 CO 0.01 0.13 0.19 -0.09 0.00 0.00 0.00 176.54 176.77 3cqb h ARG 31 N 0.45 0.79 -0.59 4.80 2.43 -0.82 -0.70 114.38 120.74 3cqb h ARG 31 Ca 0.17 -0.15 -0.10 0.00 -0.81 0.00 0.00 59.98 59.09 3cqb h ARG 31 Cb 0.05 -0.12 -0.02 0.00 -0.42 0.00 0.00 29.97 29.46 3cqb h ARG 31 CO -0.10 0.71 -0.00 1.96 -1.51 0.00 0.00 179.97 181.02 3cqb h GLN 32 N 0.71 1.05 -0.18 0.20 4.20 -1.00 -0.23 115.11 119.85 3cqb h GLN 32 Ca 0.17 -0.34 -0.01 0.00 0.06 0.00 0.00 58.65 58.53 3cqb h GLN 32 Cb 0.23 -0.09 -0.01 0.00 0.30 0.00 0.00 27.48 27.91 3cqb h GLN 32 CO -0.01 1.03 0.08 0.00 -0.67 0.00 0.00 178.83 179.26 3cqb h ALA 33 N 0.98 0.24 -0.32 3.87 0.00 -0.49 -0.79 119.26 122.75 3cqb h ALA 33 Ca 0.17 -0.10 0.06 0.00 0.00 0.00 0.00 54.91 55.03 3cqb h ALA 33 Cb 0.56 -0.07 -0.06 0.00 0.00 0.00 0.00 17.79 18.22 3cqb h ALA 33 CO 0.03 -0.17 -0.04 0.37 0.00 0.00 0.00 179.25 179.43 3cqb h GLN 34 N 0.15 0.04 -0.17 0.00 4.15 -0.95 -1.28 115.11 117.04 3cqb h GLN 34 Ca 0.06 -0.00 -0.03 0.00 0.77 0.00 0.00 58.65 59.45 3cqb h GLN 34 Cb 0.17 -0.01 -0.01 0.00 0.21 0.00 0.00 27.48 27.84 3cqb h GLN 34 CO -0.01 0.02 -0.02 1.96 -1.93 0.00 0.00 178.83 178.86 3cqb h GLN 35 N 0.04 0.25 -0.00 1.69 4.20 -0.79 -2.29 115.11 118.20 3cqb h GLN 35 Ca 0.15 -0.04 0.00 0.00 0.06 0.00 0.00 58.65 58.83 3cqb h GLN 35 Cb 0.22 -0.04 0.00 0.00 0.30 0.00 0.00 27.48 27.96 3cqb h GLN 35 CO -0.30 0.29 -0.10 0.00 -0.67 0.00 0.00 178.83 178.06 3cqb n ALA 36 N -2.50 2.75 -1.51 3.87 0.00 -0.32 -4.93 120.51 117.87 3cqb n ALA 36 Ca -0.00 -0.29 -0.02 0.00 0.00 0.00 0.00 53.44 53.13 3cqb n ALA 36 Cb 0.19 -1.32 -0.00 0.00 0.00 0.00 0.00 19.45 18.31 3cqb n ALA 36 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3cqb n GLY 37 N 1.24 0.41 3.55 0.00 0.00 -0.56 -4.98 105.19 104.85 3cqb n GLY 37 Ca 0.16 -0.92 -0.25 0.00 0.00 0.00 0.00 46.02 45.01 3cqb n GLY 37 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3cqb s ILE 38 N -2.07 2.46 0.00 -0.61 -4.36 -0.73 -5.04 121.20 110.84 3cqb s ILE 38 Ca 0.00 -2.20 0.00 0.00 -0.26 0.00 0.00 60.65 58.19 3cqb s ILE 38 Cb 0.00 -2.59 0.00 0.00 1.25 0.00 0.00 42.46 41.12 3cqb s ILE 38 CO 0.00 -0.27 0.00 0.61 0.24 0.00 0.00 174.94 175.52 3cqb n GLY 39 N -0.78 -0.37 3.22 6.27 0.00 -1.26 -4.17 105.19 108.09 3cqb n GLY 39 Ca -0.05 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.83 3cqb n GLY 39 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3cqb s PRO 41 N 0.00 0.97 0.35 1.61 0.02 -1.26 -4.91 135.00 131.77 3cqb s PRO 41 Ca 0.00 -1.31 -0.28 0.00 0.02 0.00 0.00 61.00 59.43 3cqb s PRO 41 Cb 0.00 -0.60 -0.11 0.00 0.02 0.00 0.00 34.50 33.81 3cqb s PRO 41 CO 0.00 0.08 1.41 0.99 -0.33 0.00 0.00 177.00 179.15 3cqb s THR 42 N -2.87 2.35 -0.08 0.99 2.01 -0.34 -4.85 115.64 112.85 3cqb s THR 42 Ca 0.11 0.36 0.05 0.00 0.31 0.00 0.00 61.69 62.51 3cqb s THR 42 Cb -0.00 -3.23 -0.01 0.00 0.01 0.00 0.00 72.50 69.28 3cqb s THR 42 CO 0.00 0.08 -0.24 -0.69 -0.69 0.00 0.00 174.62 173.09 3cqb s VAL 43 N -1.10 2.11 0.04 3.82 1.01 -1.26 -0.75 120.40 124.27 3cqb s VAL 43 Ca 0.51 -1.02 -0.01 0.00 0.00 0.00 0.00 61.98 61.47 3cqb s VAL 43 Cb -0.43 -1.79 -0.03 0.00 0.00 0.00 0.00 36.38 34.12 3cqb s VAL 43 CO 0.58 0.56 -0.03 0.00 0.00 0.00 0.00 175.10 176.21 3cqb s ALA 44 N 0.13 0.39 -0.01 5.51 0.00 -0.34 -1.14 121.76 126.29 3cqb s ALA 44 Ca -0.12 -0.99 0.07 0.00 0.00 0.00 0.00 51.96 50.91 3cqb s ALA 44 Cb -0.16 0.22 -0.02 0.00 0.00 0.00 0.00 23.12 23.16 3cqb s ALA 44 CO 0.07 -0.29 -0.22 0.42 0.00 0.00 0.00 175.76 175.74 3cqb s ILE 45 N -3.03 2.46 0.15 0.00 1.01 -1.26 -1.43 121.20 119.10 3cqb s ILE 45 Ca -0.01 -1.06 0.03 0.00 0.00 0.00 0.00 60.65 59.61 3cqb s ILE 45 Cb 0.01 -1.93 -0.05 0.00 0.01 0.00 0.00 42.46 40.51 3cqb s ILE 45 CO -0.07 0.51 -0.05 -0.72 0.00 0.00 0.00 174.94 174.61 3cqb s TYR 46 N -0.72 1.19 -0.30 3.97 -0.85 -0.39 -4.57 117.35 115.68 3cqb s TYR 46 Ca 0.11 -0.89 -0.22 0.00 -0.52 0.00 0.00 57.07 55.56 3cqb s TYR 46 Cb -0.10 -0.66 -0.00 0.00 0.38 0.00 0.00 41.96 41.58 3cqb s TYR 46 CO 0.01 -0.07 0.72 -0.51 -1.52 0.00 0.00 175.55 174.18 3cqb s ASP 47 N -3.16 6.61 -0.20 -0.18 1.01 -1.26 -1.06 116.67 118.44 3cqb s ASP 47 Ca 0.19 0.62 -0.25 0.00 0.71 0.00 0.00 52.55 53.81 3cqb s ASP 47 Cb 0.05 -2.38 0.07 0.00 1.01 0.00 0.00 42.92 41.67 3cqb s ASP 47 CO 0.01 -0.54 0.68 -0.55 0.21 0.00 0.00 175.17 174.98 3cqb s SER 48 N 1.59 -0.69 0.52 0.27 0.15 -1.26 -4.91 113.70 109.37 3cqb s SER 48 Ca 0.30 1.20 0.30 0.00 0.70 0.00 0.00 55.95 58.45 3cqb s SER 48 Cb -0.15 1.18 1.32 0.00 -1.71 0.00 0.00 66.02 66.66 3cqb s SER 48 CO 0.11 -0.33 1.98 0.00 1.20 0.00 0.00 173.24 176.20 3cqb h ALA 49 N 4.53 1.07 -2.65 5.45 0.00 -1.96 0.23 119.26 125.93 3cqb h ALA 49 Ca -0.28 -0.09 -0.53 0.00 0.00 0.00 0.00 54.91 54.01 3cqb h ALA 49 Cb 1.16 -0.02 0.13 0.00 0.00 0.00 0.00 17.79 19.07 3cqb h ALA 49 CO 0.15 0.13 0.40 -0.51 0.00 0.00 0.00 179.25 179.42 3cqb s ASP 50 N -5.92 4.60 -0.61 0.00 1.01 -1.26 -4.56 116.67 109.93 3cqb s ASP 50 Ca -0.00 2.27 -0.21 0.00 0.71 0.00 0.00 52.55 55.31 3cqb s ASP 50 Cb 0.11 -2.58 0.08 0.00 1.01 0.00 0.00 42.92 41.53 3cqb s ASP 50 CO 0.57 -1.99 0.86 -0.63 0.21 0.00 0.00 175.17 174.19 3cqb s ILE 51 N -2.01 4.52 -0.04 0.77 1.01 -1.26 -3.36 121.20 120.83 3cqb s ILE 51 Ca 0.73 -0.49 -0.06 0.00 0.00 0.00 0.00 60.65 60.83 3cqb s ILE 51 Cb -0.27 -4.58 0.01 0.00 0.01 0.00 0.00 42.46 37.63 3cqb s ILE 51 CO 0.42 -1.27 0.15 0.21 0.00 0.00 0.00 174.94 174.45 3cqb s ASN 52 N 3.49 -0.10 0.01 3.58 2.47 -1.26 -1.21 114.94 121.91 3cqb s ASN 52 Ca 0.19 0.16 0.03 0.00 0.42 0.00 0.00 52.86 53.66 3cqb s ASN 52 Cb -0.19 0.28 -0.01 0.00 -1.45 0.00 0.00 41.25 39.88 3cqb s ASN 52 CO 0.10 -0.14 -0.09 0.00 -3.72 0.00 0.00 177.10 173.25 3cqb s ALA 53 N -0.34 0.76 0.10 1.71 0.00 -1.26 -1.26 121.76 121.47 3cqb s ALA 53 Ca -0.04 -0.47 0.04 0.00 0.00 0.00 0.00 51.96 51.49 3cqb s ALA 53 Cb -0.03 -0.16 -0.04 0.00 0.00 0.00 0.00 23.12 22.90 3cqb s ALA 53 CO 0.01 0.16 -0.11 -0.59 0.00 0.00 0.00 175.76 175.23 3cqb s PHE 54 N -0.42 1.15 -0.01 0.00 -0.71 -0.16 -4.44 117.98 113.39 3cqb s PHE 54 Ca 0.02 -0.64 -0.21 0.00 -1.04 0.00 0.00 56.93 55.06 3cqb s PHE 54 Cb -0.05 -0.62 0.04 0.00 -1.21 0.00 0.00 43.02 41.19 3cqb s PHE 54 CO -0.00 0.04 0.45 0.00 -1.34 0.00 0.00 175.22 174.36 3cqb s ALA 55 N -2.42 -1.14 -0.06 1.99 0.00 -0.37 -0.28 121.76 119.49 3cqb s ALA 55 Ca 0.07 0.63 -0.06 0.00 0.00 0.00 0.00 51.96 52.60 3cqb s ALA 55 Cb -0.03 0.11 0.02 0.00 0.00 0.00 0.00 23.12 23.21 3cqb s ALA 55 CO 0.01 -0.33 0.17 -0.08 0.00 0.00 0.00 175.76 175.52 3cqb s THR 56 N -1.52 0.01 -0.10 0.00 -1.32 -0.27 -0.85 115.64 111.59 3cqb s THR 56 Ca -0.11 -0.05 0.15 0.00 -1.21 0.00 0.00 61.69 60.47 3cqb s THR 56 Cb -0.03 -0.26 0.24 0.00 -1.51 0.00 0.00 72.50 70.94 3cqb s THR 56 CO 0.05 -0.03 1.12 0.61 -2.21 0.00 0.00 174.62 174.16 3cqb n GLY 57 N 2.88 3.91 3.76 6.08 0.00 -0.47 -1.59 105.19 119.76 3cqb n GLY 57 Ca -0.13 -0.90 -0.38 0.00 0.00 0.00 0.00 46.02 44.61 3cqb n GLY 57 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3cqb s ALA 58 N -2.24 2.88 0.29 4.61 0.00 -1.22 -4.33 121.76 121.74 3cqb s ALA 58 Ca 0.25 1.21 0.04 0.00 0.00 0.00 0.00 51.96 53.47 3cqb s ALA 58 Cb 0.23 -3.51 0.71 0.00 0.00 0.00 0.00 23.12 20.55 3cqb s ALA 58 CO 0.02 -1.14 1.73 0.87 0.00 0.00 0.00 175.76 177.24 3cqb h LYS 59 N 1.66 0.55 -0.45 0.00 1.57 -1.98 -2.19 116.57 115.73 3cqb h LYS 59 Ca -0.50 -0.03 0.07 0.00 -1.87 0.00 0.00 60.65 58.31 3cqb h LYS 59 Cb 1.28 -0.12 -0.02 0.00 0.08 0.00 0.00 32.23 33.44 3cqb h LYS 59 CO 0.58 0.36 0.30 0.07 -0.57 0.00 0.00 179.45 180.20 3cqb h ARG 60 N 0.56 0.29 -6.19 3.15 0.11 -1.97 -3.45 114.38 106.89 3cqb h ARG 60 Ca 0.56 -0.02 -0.50 0.00 0.10 0.00 0.00 59.98 60.12 3cqb h ARG 60 Cb 0.96 -0.07 -0.04 0.00 1.11 0.00 0.00 29.97 31.93 3cqb h ARG 60 CO -0.45 0.19 -0.45 0.16 0.10 0.00 0.00 179.97 179.53 3cqb s ASP 61 N -6.47 5.24 0.34 0.08 1.47 -0.83 -5.09 116.67 111.40 3cqb s ASP 61 Ca -0.07 -0.53 -0.27 0.00 1.18 0.00 0.00 52.55 52.86 3cqb s ASP 61 Cb 0.19 -0.93 -0.09 0.00 -0.34 0.00 0.00 42.92 41.75 3cqb s ASP 61 CO 0.73 -0.37 1.14 -1.81 0.68 0.00 0.00 175.17 175.53 3cqb s ASP 62 N -4.00 6.90 0.29 2.11 1.01 -1.26 -4.77 116.67 116.94 3cqb s ASP 62 Ca 0.41 2.30 -0.30 0.00 0.71 0.00 0.00 52.55 55.67 3cqb s ASP 62 Cb -0.05 -2.62 -0.12 0.00 1.01 0.00 0.00 42.92 41.14 3cqb s ASP 62 CO 0.26 -0.41 1.62 -0.55 0.21 0.00 0.00 175.17 176.31 3cqb s SER 63 N -1.02 6.35 -0.11 0.27 0.15 -1.26 -4.86 113.70 113.22 3cqb s SER 63 Ca 0.51 2.96 -0.13 0.00 0.70 0.00 0.00 55.95 59.99 3cqb s SER 63 Cb -0.31 -2.63 0.03 0.00 -1.71 0.00 0.00 66.02 61.40 3cqb s SER 63 CO 0.39 -0.94 0.35 -0.22 1.20 0.00 0.00 173.24 174.03 3cqb s LEU 64 N -0.31 0.67 -0.11 3.45 2.96 -0.62 -1.20 118.68 123.52 3cqb s LEU 64 Ca 0.65 0.59 0.01 0.00 -0.22 0.00 0.00 54.13 55.17 3cqb s LEU 64 Cb -0.48 1.25 0.02 0.00 0.50 0.00 0.00 46.19 47.47 3cqb s LEU 64 CO 0.46 -0.19 -0.14 -0.69 -1.32 0.00 0.00 176.35 174.47 3cqb s VAL 65 N -0.13 1.39 -0.08 1.68 1.01 0.07 -1.11 120.40 123.24 3cqb s VAL 65 Ca -0.03 -0.57 0.03 0.00 0.00 0.00 0.00 61.98 61.41 3cqb s VAL 65 Cb -0.03 -1.29 0.01 0.00 0.00 0.00 0.00 36.38 35.07 3cqb s VAL 65 CO 0.01 0.42 -0.16 0.00 0.00 0.00 0.00 175.10 175.37 3cqb s ALA 66 N 1.07 1.58 0.07 5.51 0.00 0.62 -1.20 121.76 129.40 3cqb s ALA 66 Ca -0.05 -0.61 0.08 0.00 0.00 0.00 0.00 51.96 51.37 3cqb s ALA 66 Cb -0.15 -0.66 -0.04 0.00 0.00 0.00 0.00 23.12 22.28 3cqb s ALA 66 CO -0.02 0.17 -0.17 0.14 0.00 0.00 0.00 175.76 175.87 3cqb s VAL 67 N 0.56 2.85 0.58 0.00 -7.23 -0.51 -0.99 120.40 115.66 3cqb s VAL 67 Ca -0.16 -1.30 -0.13 0.00 -1.81 0.00 0.00 61.98 58.58 3cqb s VAL 67 Cb -0.17 -2.25 -0.05 0.00 0.56 0.00 0.00 36.38 34.47 3cqb s VAL 67 CO 0.05 0.24 1.01 -0.94 -0.31 0.00 0.00 175.10 175.16 3cqb s SER 68 N -1.73 6.35 0.37 4.85 1.04 -0.39 -1.26 113.70 122.93 3cqb s SER 68 Ca 0.16 1.49 0.05 0.00 0.48 0.00 0.00 55.95 58.12 3cqb s SER 68 Cb -0.11 -2.49 0.73 0.00 0.10 0.00 0.00 66.02 64.25 3cqb s SER 68 CO 0.07 -0.78 2.01 0.71 0.98 0.00 0.00 173.24 176.23 3cqb h THR 69 N 0.14 1.11 -0.72 2.02 1.35 -1.22 -2.34 112.91 113.26 3cqb h THR 69 Ca -0.45 -0.26 -0.03 0.00 -0.55 0.00 0.00 66.41 65.12 3cqb h THR 69 Cb 1.19 0.29 -0.03 0.00 -1.73 0.00 0.00 68.15 67.87 3cqb h THR 69 CO 0.62 0.14 0.33 1.23 -0.25 0.00 0.00 175.52 177.58 3cqb h GLY 70 N 0.75 1.10 0.92 5.82 0.00 -1.01 0.16 103.07 110.81 3cqb h GLY 70 Ca 0.23 -0.54 -0.00 0.00 0.00 0.00 0.00 47.33 47.02 3cqb h GLY 70 CO -0.06 0.51 0.02 -2.00 0.00 0.00 0.00 176.54 175.01 3cqb h LEU 71 N 1.02 0.04 -1.46 3.11 6.46 -1.44 -1.94 115.31 121.10 3cqb h LEU 71 Ca 0.25 -0.08 -0.03 0.00 -0.12 0.00 0.00 57.88 57.89 3cqb h LEU 71 Cb 0.12 -0.01 -0.01 0.00 -0.73 0.00 0.00 40.66 40.03 3cqb h LEU 71 CO -0.03 0.10 -0.01 -0.07 -0.62 0.00 0.00 178.44 177.82 3cqb h LEU 72 N -0.04 0.31 -0.58 2.25 3.38 -1.13 -2.59 115.31 116.91 3cqb h LEU 72 Ca 0.01 -0.04 -0.16 0.00 0.09 0.00 0.00 57.88 57.78 3cqb h LEU 72 Cb 0.08 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 3cqb h LEU 72 CO -0.00 0.38 -0.62 -0.74 0.09 0.00 0.00 178.44 177.54 3cqb h HIS 73 N 0.33 0.41 -0.94 1.13 2.76 -0.85 -3.48 115.15 114.51 3cqb h HIS 73 Ca 0.08 -0.16 -0.62 0.00 -2.20 0.00 0.00 60.37 57.46 3cqb h HIS 73 Cb 0.24 -0.07 -0.35 0.00 1.55 0.00 0.00 27.41 28.77 3cqb h HIS 73 CO 0.01 0.85 0.09 0.09 -1.30 0.00 0.00 177.93 177.67 3cqb n ASN 74 N -3.88 6.40 -4.56 3.26 3.02 -0.74 -5.10 115.26 113.67 3cqb n ASN 74 Ca -0.03 -3.77 -0.25 0.00 -0.03 0.00 0.00 54.58 50.50 3cqb n ASN 74 Cb 0.63 -0.69 -0.10 0.00 -0.61 0.00 0.00 39.78 39.02 3cqb n ASN 74 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 3cqb s THR 76 N -4.76 2.36 0.19 3.41 -4.23 -1.26 -5.09 115.64 106.27 3cqb s THR 76 Ca 0.58 -2.17 -0.12 0.00 -1.18 0.00 0.00 61.69 58.81 3cqb s THR 76 Cb 0.46 -2.65 0.10 0.00 1.34 0.00 0.00 72.50 71.75 3cqb s THR 76 CO -0.01 -0.22 1.80 0.03 -0.54 0.00 0.00 174.62 175.68 3cqb h ARG 77 N 1.99 0.58 -0.61 3.99 3.08 -1.99 0.04 114.38 121.47 3cqb h ARG 77 Ca -0.42 -0.04 0.01 0.00 0.07 0.00 0.00 59.98 59.60 3cqb h ARG 77 Cb 1.25 -0.13 -0.03 0.00 0.08 0.00 0.00 29.97 31.14 3cqb h ARG 77 CO 0.69 0.39 0.40 -0.44 -1.07 0.00 0.00 179.97 179.93 3cqb h ASP 78 N 0.60 0.69 -0.28 7.04 3.32 -2.05 -0.14 116.42 125.61 3cqb h ASP 78 Ca 0.25 -0.01 -0.01 0.00 0.02 0.00 0.00 57.03 57.27 3cqb h ASP 78 Cb 0.12 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 39.49 3cqb h ASP 78 CO -0.15 0.50 0.13 -0.33 -1.72 0.00 0.00 179.24 177.66 3cqb h GLU 79 N 0.82 0.41 -0.55 3.56 5.08 -1.93 -2.85 114.58 119.12 3cqb h GLU 79 Ca 0.23 -0.06 -0.11 0.00 -1.00 0.00 0.00 59.36 58.42 3cqb h GLU 79 Cb -0.08 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.08 3cqb h GLU 79 CO -0.06 0.40 -0.08 0.00 -1.00 0.00 0.00 179.01 178.28 3cqb h ALA 80 N 0.98 0.82 -0.51 3.43 0.00 -0.74 -2.80 119.26 120.44 3cqb h ALA 80 Ca 0.10 -0.34 0.06 0.00 0.00 0.00 0.00 54.91 54.73 3cqb h ALA 80 Cb 0.13 -0.20 -0.05 0.00 0.00 0.00 0.00 17.79 17.67 3cqb h ALA 80 CO -0.01 0.66 0.21 1.49 0.00 0.00 0.00 179.25 181.61 3cqb h GLU 81 N 0.91 0.40 -0.50 0.00 4.81 -0.99 -0.29 114.58 118.93 3cqb h GLU 81 Ca 0.15 -0.02 0.04 0.00 -0.13 0.00 0.00 59.36 59.39 3cqb h GLU 81 Cb 0.63 -0.09 -0.04 0.00 0.63 0.00 0.00 28.75 29.88 3cqb h GLU 81 CO 0.04 0.27 0.26 0.00 -0.73 0.00 0.00 179.01 178.85 3cqb h ALA 82 N 1.32 0.63 -0.29 2.92 0.00 -1.25 0.22 119.26 122.81 3cqb h ALA 82 Ca 0.24 0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.16 3cqb h ALA 82 Cb 0.22 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 3cqb h ALA 82 CO -0.22 -0.07 0.18 0.28 0.00 0.00 0.00 179.25 179.42 3cqb h VAL 83 N 0.52 1.09 -0.63 0.00 2.07 -1.26 -2.11 116.25 115.93 3cqb h VAL 83 Ca 0.21 -0.18 -0.09 0.00 0.82 0.00 0.00 66.70 67.46 3cqb h VAL 83 Cb 0.10 0.69 -0.02 0.00 -1.52 0.00 0.00 31.29 30.54 3cqb h VAL 83 CO -0.14 0.09 0.06 -0.07 0.02 0.00 0.00 177.57 177.52 3cqb h LEU 84 N 0.38 1.04 -0.64 2.57 3.38 -0.36 -1.23 115.31 120.45 3cqb h LEU 84 Ca 0.11 -0.28 0.02 0.00 0.09 0.00 0.00 57.88 57.81 3cqb h LEU 84 Cb -0.02 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 40.41 3cqb h LEU 84 CO -0.02 1.06 0.41 0.00 0.09 0.00 0.00 178.44 179.98 3cqb h ALA 85 N 1.01 0.83 -0.59 1.53 0.00 -0.46 0.16 119.26 121.74 3cqb h ALA 85 Ca 0.19 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 55.02 3cqb h ALA 85 Cb 0.50 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.04 3cqb h ALA 85 CO 0.02 0.18 0.19 1.25 0.00 0.00 0.00 179.25 180.89 3cqb h HIS 86 N 0.81 0.94 -0.38 0.00 -0.00 -1.01 -2.44 115.15 113.07 3cqb h HIS 86 Ca 0.25 -0.09 -0.11 0.00 -0.00 0.00 0.00 60.37 60.41 3cqb h HIS 86 Cb -0.02 -0.27 -0.01 0.00 -0.00 0.00 0.00 27.41 27.10 3cqb h HIS 86 CO -0.04 0.78 -0.22 0.93 -0.00 0.00 0.00 177.93 179.38 3cqb h GLU 87 N 0.83 0.75 -0.86 5.26 5.08 -0.53 -2.31 114.58 122.80 3cqb h GLU 87 Ca 0.19 -0.30 0.05 0.00 -1.00 0.00 0.00 59.36 58.30 3cqb h GLU 87 Cb 0.28 -0.04 -0.05 0.00 0.50 0.00 0.00 28.75 29.44 3cqb h GLU 87 CO -0.01 0.90 0.56 0.28 -1.00 0.00 0.00 179.01 179.75 3cqb h VAL 88 N 0.66 1.09 -0.60 3.13 2.07 -0.59 -1.32 116.25 120.68 3cqb h VAL 88 Ca 0.09 -0.35 0.02 0.00 0.82 0.00 0.00 66.70 67.29 3cqb h VAL 88 Cb 0.72 -0.00 -0.03 0.00 -1.52 0.00 0.00 31.29 30.45 3cqb h VAL 88 CO 0.06 0.18 0.40 0.77 0.02 0.00 0.00 177.57 179.00 3cqb h SER 89 N 1.01 0.64 -0.20 0.57 4.64 -0.92 -0.89 113.55 118.40 3cqb h SER 89 Ca 0.36 -0.01 -0.11 0.00 -0.47 0.00 0.00 61.79 61.55 3cqb h SER 89 Cb 0.14 -0.15 -0.00 0.00 -0.31 0.00 0.00 62.40 62.07 3cqb h SER 89 CO -0.12 0.45 -0.32 0.45 -0.87 0.00 0.00 176.83 176.43 3cqb h HIS 90 N 0.75 0.71 -0.66 4.77 -0.00 -1.13 -2.80 115.15 116.80 3cqb h HIS 90 Ca 0.23 -0.24 0.13 0.00 -0.00 0.00 0.00 60.37 60.48 3cqb h HIS 90 Cb 0.00 -0.14 -0.09 0.00 -0.00 0.00 0.00 27.41 27.18 3cqb h HIS 90 CO -0.00 0.97 0.18 0.82 -0.00 0.00 0.00 177.93 179.90 3cqb h ILE 91 N 0.24 0.63 0.00 2.45 2.04 -0.83 -0.77 117.51 121.28 3cqb h ILE 91 Ca 0.02 -0.11 -0.02 0.00 1.00 0.00 0.00 64.86 65.75 3cqb h ILE 91 Cb 0.90 0.29 -0.00 0.00 -0.74 0.00 0.00 36.82 37.27 3cqb h ILE 91 CO 0.07 0.06 -0.11 0.00 0.00 0.00 0.00 178.15 178.17 3cqb h ALA 92 N 1.51 1.19 -0.01 1.87 0.00 -1.09 0.53 119.26 123.27 3cqb h ALA 92 Ca 0.35 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.17 3cqb h ALA 92 Cb 0.53 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.31 3cqb h ALA 92 CO -0.41 0.13 -0.08 0.09 0.00 0.00 0.00 179.25 178.98 3cqb n ASN 93 N -3.49 0.66 -0.37 0.00 3.02 -0.35 -4.92 115.26 109.80 3cqb n ASN 93 Ca -0.01 -0.88 -0.04 0.00 -0.03 0.00 0.00 54.58 53.61 3cqb n ASN 93 Cb 0.25 -0.03 -0.01 0.00 -0.61 0.00 0.00 39.78 39.39 3cqb n ASN 93 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3cqb n GLY 94 N 1.21 0.46 0.00 7.41 0.00 0.18 -5.04 105.19 109.41 3cqb n GLY 94 Ca 0.17 -0.81 0.00 0.00 0.00 0.00 0.00 46.02 45.38 3cqb n GLY 94 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3cqb n ASP 95 N 1.31 0.00 0.00 1.61 8.00 -0.84 -3.46 116.55 123.17 3cqb n ASP 95 Ca -0.04 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.46 3cqb n ASP 95 Cb 0.32 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.42 3cqb n ASP 95 CO 0.00 0.00 0.00 0.55 -0.39 0.00 0.00 177.20 177.36 3cqb n VAL 97 N 0.00 0.00 -4.36 2.53 3.14 -0.03 -1.37 118.33 118.24 3cqb n VAL 97 Ca 0.00 0.00 -0.21 0.00 -2.96 0.00 0.00 64.34 61.17 3cqb n VAL 97 Cb 0.00 0.00 -0.07 0.00 -1.06 0.00 0.00 33.84 32.71 3cqb n VAL 97 CO 0.00 0.00 0.00 1.07 -6.46 0.00 0.00 176.83 171.44 3cqb n THR 98 N -0.38 0.00 -3.65 1.55 5.66 -1.26 -1.24 114.28 114.96 3cqb n THR 98 Ca 0.00 -2.30 -0.04 0.00 -3.05 0.00 0.00 64.05 58.65 3cqb n THR 98 Cb 0.00 1.01 -0.07 0.00 -1.55 0.00 0.00 70.33 69.72 3cqb n THR 98 CO 0.00 0.00 0.00 -0.89 -3.05 0.00 0.00 175.07 171.13 3cqb s THR 100 N -3.18 0.00 0.00 1.09 2.01 -1.26 -5.02 115.64 109.28 3cqb s THR 100 Ca 0.30 0.00 0.00 0.00 0.31 0.00 0.00 61.69 62.30 3cqb s THR 100 Cb 0.01 -1.00 0.00 0.00 0.01 0.00 0.00 72.50 71.52 3cqb s THR 100 CO 0.21 0.00 0.00 0.18 -0.69 0.00 0.00 174.62 174.32 3cqb n LEU 101 N 2.05 0.00 -3.83 4.42 4.77 -0.35 -5.03 117.00 119.04 3cqb n LEU 101 Ca -0.12 0.00 -0.13 0.00 -0.03 0.00 0.00 56.01 55.73 3cqb n LEU 101 Cb 0.57 0.00 -0.15 0.00 -2.33 0.00 0.00 43.42 41.51 3cqb n LEU 101 CO 0.02 0.00 -0.35 -1.10 -1.33 0.00 0.00 177.39 174.63 3cqb s GLN 103 N 0.75 -0.01 0.00 3.23 -0.21 -1.26 -4.19 119.66 117.96 3cqb s GLN 103 Ca 0.00 0.09 0.28 0.00 0.02 0.00 0.00 55.36 55.75 3cqb s GLN 103 Cb 0.00 -0.10 1.13 0.00 1.00 0.00 0.00 33.01 35.05 3cqb s GLN 103 CO 0.00 -0.07 1.79 0.41 -2.12 0.00 0.00 175.29 175.30