#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bqz s LYS 2 N 0.00 3.42 0.00 0.00 0.00 -1.26 -4.97 119.74 116.92 1bqz s LYS 2 Ca 0.00 -0.61 0.00 0.00 0.00 0.00 0.00 55.97 55.36 1bqz s LYS 2 Cb 0.00 -2.79 0.00 0.00 0.00 0.00 0.00 37.83 35.04 1bqz s LYS 2 CO 0.00 0.27 0.00 0.94 0.00 0.00 0.00 175.35 176.56 1bqz n GLN 3 N -1.60 1.33 -1.86 1.78 7.27 -1.26 -5.03 117.38 118.01 1bqz n GLN 3 Ca -0.06 0.00 -0.35 0.00 0.07 0.00 0.00 57.00 56.66 1bqz n GLN 3 Cb 0.57 0.00 0.04 0.00 2.41 0.00 0.00 30.24 33.26 1bqz n GLN 3 CO 0.00 0.00 0.00 -0.25 0.07 0.00 0.00 177.06 176.88 1bqz n ASP 4 N 0.00 6.89 0.00 1.69 9.92 -1.26 -4.95 116.55 128.85 1bqz n ASP 4 Ca 0.00 -3.80 0.00 0.00 -0.53 0.00 0.00 54.79 50.46 1bqz n ASP 4 Cb 0.00 -0.88 0.00 0.00 -0.64 0.00 0.00 41.12 39.60 1bqz n ASP 4 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1bqz n TYR 5 N -0.65 0.00 -0.51 1.24 0.18 -1.26 0.30 117.16 116.46 1bqz n TYR 5 Ca 0.53 0.00 0.42 0.00 1.88 0.00 0.00 57.90 60.73 1bqz n TYR 5 Cb 0.48 0.00 0.74 0.00 -0.38 0.00 0.00 39.34 40.18 1bqz n TYR 5 CO 0.00 0.00 0.00 1.88 -2.08 0.00 0.00 176.86 176.66 1bqz h TYR 6 N 0.00 0.21 0.04 -3.48 0.05 -1.85 2.87 116.97 114.81 1bqz h TYR 6 Ca 0.00 0.01 -0.30 0.00 0.05 0.00 0.00 58.73 58.49 1bqz h TYR 6 Cb 0.00 -0.05 -0.04 0.00 1.01 0.00 0.00 36.73 37.65 1bqz h TYR 6 CO 0.00 -0.06 -1.67 1.49 -1.05 0.00 0.00 178.16 176.87 1bqz h GLU 7 N 0.05 0.09 -0.65 4.88 4.57 0.47 1.27 114.58 125.27 1bqz h GLU 7 Ca 0.80 -0.15 0.14 0.00 -1.18 0.00 0.00 59.36 58.96 1bqz h GLU 7 Cb 2.92 0.06 -0.11 0.00 -0.16 0.00 0.00 28.75 31.46 1bqz h GLU 7 CO -0.16 0.78 -0.00 0.82 -1.18 0.00 0.00 179.01 179.26 1bqz h ILE 8 N 0.02 0.45 0.00 2.32 1.08 0.50 0.93 117.51 122.82 1bqz h ILE 8 Ca -0.28 -0.04 0.00 0.00 -0.39 0.00 0.00 64.86 64.15 1bqz h ILE 8 Cb 2.00 0.33 0.00 0.00 -3.07 0.00 0.00 36.82 36.08 1bqz h ILE 8 CO 0.10 0.02 0.00 0.18 -0.69 0.00 0.00 178.15 177.76 1bqz n LEU 9 N -5.30 0.76 0.00 1.44 4.32 -0.27 -4.87 117.00 113.08 1bqz n LEU 9 Ca 0.10 0.59 0.00 0.00 -0.02 0.00 0.00 56.01 56.68 1bqz n LEU 9 Cb 0.38 -0.38 0.00 0.00 -1.62 0.00 0.00 43.42 41.80 1bqz n LEU 9 CO 0.09 -0.26 0.00 0.61 -1.22 0.00 0.00 177.39 176.61 1bqz n GLY 10 N 1.03 1.19 3.78 -0.72 0.00 0.32 -4.13 105.19 106.65 1bqz n GLY 10 Ca 0.05 -0.14 -0.28 0.00 0.00 0.00 0.00 46.02 45.64 1bqz n GLY 10 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1bqz s VAL 11 N -2.00 1.70 0.61 1.61 1.01 0.44 -4.94 120.40 118.82 1bqz s VAL 11 Ca 0.00 -1.79 -0.12 0.00 0.00 0.00 0.00 61.98 60.08 1bqz s VAL 11 Cb 0.00 -2.48 -0.04 0.00 0.00 0.00 0.00 36.38 33.86 1bqz s VAL 11 CO 0.00 0.00 1.03 -0.44 0.00 0.00 0.00 175.10 175.69 1bqz s SER 12 N -3.97 6.25 0.41 3.32 0.01 -1.25 -2.97 113.70 115.50 1bqz s SER 12 Ca 0.26 1.44 0.23 0.00 1.31 0.00 0.00 55.95 59.19 1bqz s SER 12 Cb 0.02 -2.47 1.23 0.00 0.21 0.00 0.00 66.02 65.01 1bqz s SER 12 CO 0.15 -0.86 1.66 0.07 0.41 0.00 0.00 173.24 174.67 1bqz h LYS 13 N -0.21 0.00 -0.09 12.44 2.10 -1.91 0.41 116.57 129.32 1bqz h LYS 13 Ca -0.44 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.21 1bqz h LYS 13 Cb 1.19 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.52 1bqz h LYS 13 CO 0.62 0.00 0.00 0.25 -2.00 0.00 0.00 179.45 178.32 1bqz n THR 14 N -2.37 0.82 -0.28 0.07 -2.24 -1.26 -4.04 114.28 104.98 1bqz n THR 14 Ca -0.02 -0.91 0.29 0.00 -2.27 0.00 0.00 64.05 61.15 1bqz n THR 14 Cb 0.18 0.60 0.45 0.00 -2.10 0.00 0.00 70.33 69.46 1bqz n THR 14 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1bqz n ALA 15 N -0.12 1.04 -0.42 6.98 0.00 0.14 -4.86 120.51 123.28 1bqz n ALA 15 Ca 0.03 0.36 0.00 0.00 0.00 0.00 0.00 53.44 53.83 1bqz n ALA 15 Cb 0.26 -0.62 0.00 0.00 0.00 0.00 0.00 19.45 19.09 1bqz n ALA 15 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 1bqz n GLU 16 N -3.14 -1.17 0.00 0.00 2.13 -1.26 -4.13 120.64 113.06 1bqz n GLU 16 Ca 0.24 0.88 0.00 0.00 0.66 0.00 0.00 57.16 58.95 1bqz n GLU 16 Cb 1.44 -1.02 0.00 0.00 0.27 0.00 0.00 31.44 32.14 1bqz n GLU 16 CO 0.00 0.00 0.00 -0.85 -0.41 0.00 0.00 177.13 175.87 1bqz n GLU 17 N -1.15 0.00 0.01 5.31 0.28 -1.26 -2.39 120.64 121.44 1bqz n GLU 17 Ca 0.00 0.02 -0.07 0.00 -0.16 0.00 0.00 57.16 56.95 1bqz n GLU 17 Cb 0.03 -1.50 -0.12 0.00 1.43 0.00 0.00 31.44 31.27 1bqz n GLU 17 CO 0.00 0.00 0.00 0.07 -0.16 0.00 0.00 177.13 177.04 1bqz h ARG 18 N 0.00 0.00 0.00 3.44 0.11 -1.98 -2.64 114.38 113.31 1bqz h ARG 18 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 1bqz h ARG 18 Cb 0.01 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.09 1bqz h ARG 18 CO 0.00 0.62 -1.28 -0.85 0.10 0.00 0.00 179.97 178.56 1bqz n GLU 19 N -3.13 0.35 -0.02 0.08 0.28 -1.01 -3.42 120.64 113.78 1bqz n GLU 19 Ca -0.11 -0.06 -0.05 0.00 -0.16 0.00 0.00 57.16 56.78 1bqz n GLU 19 Cb 0.99 -1.48 -0.04 0.00 1.43 0.00 0.00 31.44 32.34 1bqz n GLU 19 CO 0.00 0.00 0.00 0.82 -0.16 0.00 0.00 177.13 177.79 1bqz h ILE 20 N 0.00 0.50 -0.91 3.84 5.03 -1.63 2.47 117.51 126.81 1bqz h ILE 20 Ca 0.00 -1.27 0.25 0.00 -0.12 0.00 0.00 64.86 63.72 1bqz h ILE 20 Cb 0.63 0.92 -0.05 0.00 -3.03 0.00 0.00 36.82 35.30 1bqz h ILE 20 CO 0.00 0.16 0.64 0.08 -0.68 0.00 0.00 178.15 178.35 1bqz h ARG 21 N -1.00 0.10 0.02 2.37 -0.00 -1.65 0.13 114.38 114.34 1bqz h ARG 21 Ca -0.01 -0.01 -0.04 0.00 -0.00 0.00 0.00 59.98 59.93 1bqz h ARG 21 Cb 0.33 -0.02 0.00 0.00 -0.00 0.00 0.00 29.97 30.28 1bqz h ARG 21 CO 0.01 0.06 -0.16 -0.22 -0.00 0.00 0.00 179.97 179.67 1bqz h LYS 22 N 0.10 0.07 -0.71 0.08 3.11 -1.55 -1.76 116.57 115.91 1bqz h LYS 22 Ca 0.45 -0.10 0.16 0.00 -2.81 0.00 0.00 60.65 58.34 1bqz h LYS 22 Cb 1.62 0.04 -0.12 0.00 -1.00 0.00 0.00 32.23 32.76 1bqz h LYS 22 CO -0.05 0.99 0.06 0.00 -2.81 0.00 0.00 179.45 177.64 1bqz h ALA 23 N 0.08 0.79 -0.16 5.00 0.00 0.69 1.11 119.26 126.78 1bqz h ALA 23 Ca -0.03 0.21 -0.07 0.00 0.00 0.00 0.00 54.91 55.02 1bqz h ALA 23 Cb 1.07 0.34 -0.00 0.00 0.00 0.00 0.00 17.79 19.19 1bqz h ALA 23 CO 0.03 -0.40 -0.18 -0.92 0.00 0.00 0.00 179.25 177.78 1bqz h TYR 24 N 0.15 0.48 -1.02 0.00 3.20 -1.37 -2.65 116.97 115.77 1bqz h TYR 24 Ca 0.39 -0.15 0.25 0.00 3.14 0.00 0.00 58.73 62.36 1bqz h TYR 24 Cb 0.68 -0.10 -0.10 0.00 1.54 0.00 0.00 36.73 38.75 1bqz h TYR 24 CO -0.36 0.80 0.65 -0.22 -1.64 0.00 0.00 178.16 177.39 1bqz h LYS 25 N 0.03 0.44 0.19 1.82 1.63 0.43 3.01 116.57 124.13 1bqz h LYS 25 Ca 0.02 -0.03 -0.01 0.00 -0.85 0.00 0.00 60.65 59.79 1bqz h LYS 25 Cb 0.73 -0.10 0.00 0.00 -0.60 0.00 0.00 32.23 32.26 1bqz h LYS 25 CO 0.04 0.29 -0.09 0.00 -3.45 0.00 0.00 179.45 176.25 1bqz h ARG 26 N 0.46 -0.25 0.05 1.90 3.08 0.14 -0.65 114.38 119.11 1bqz h ARG 26 Ca 0.59 0.02 -0.23 0.00 0.07 0.00 0.00 59.98 60.42 1bqz h ARG 26 Cb 1.39 0.06 -0.01 0.00 0.08 0.00 0.00 29.97 31.48 1bqz h ARG 26 CO -0.32 0.11 -1.08 1.37 -1.07 0.00 0.00 179.97 178.98 1bqz h LEU 27 N -0.66 0.20 -0.52 3.04 8.10 -0.96 -3.21 115.31 121.29 1bqz h LEU 27 Ca -0.03 -0.20 -0.13 0.00 0.11 0.00 0.00 57.88 57.63 1bqz h LEU 27 Cb 0.47 -0.06 -0.01 0.00 -0.44 0.00 0.00 40.66 40.62 1bqz h LEU 27 CO 0.04 1.14 -0.22 0.00 -4.11 0.00 0.00 178.44 175.29 1bqz h ALA 28 N 0.83 0.72 0.00 0.17 0.00 0.53 1.41 119.26 122.92 1bqz h ALA 28 Ca -0.06 -0.39 -0.01 0.00 0.00 0.00 0.00 54.91 54.44 1bqz h ALA 28 Cb 1.82 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 19.44 1bqz h ALA 28 CO 0.16 0.67 -0.06 0.00 0.00 0.00 0.00 179.25 180.02 1bqz h MET 29 N 0.83 0.00 0.00 0.00 -0.00 -1.17 1.72 114.93 116.31 1bqz h MET 29 Ca 0.11 0.00 -0.03 0.00 -0.00 0.00 0.00 59.70 59.78 1bqz h MET 29 Cb 0.79 0.00 -0.01 0.00 -0.00 0.00 0.00 31.60 32.38 1bqz h MET 29 CO 0.07 0.06 -0.89 0.87 -0.00 0.00 0.00 176.91 177.02 1bqz h LYS 30 N 0.00 0.00 -0.28 -0.10 1.57 -1.15 -3.31 116.57 113.30 1bqz h LYS 30 Ca -0.00 0.00 -0.09 0.00 -1.87 0.00 0.00 60.65 58.69 1bqz h LYS 30 Cb 0.13 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 32.39 1bqz h LYS 30 CO 0.01 0.07 -0.04 0.66 -0.57 0.00 0.00 179.45 179.57 1bqz n TYR 31 N -2.80 0.93 0.00 -1.35 4.01 0.47 -4.91 117.16 113.51 1bqz n TYR 31 Ca -0.01 -1.25 0.00 0.00 -0.16 0.00 0.00 57.90 56.48 1bqz n TYR 31 Cb 0.60 -0.39 0.00 0.00 -0.31 0.00 0.00 39.34 39.24 1bqz n TYR 31 CO 0.00 0.00 0.00 -2.39 -0.46 0.00 0.00 176.86 174.01 1bqz n HIS 32 N -0.90 -0.09 -0.18 -0.72 1.44 0.55 -4.03 115.22 111.28 1bqz n HIS 32 Ca 0.27 0.00 -0.05 0.00 -2.01 0.00 0.00 57.72 55.92 1bqz n HIS 32 Cb 0.94 0.00 -0.01 0.00 0.12 0.00 0.00 29.99 31.05 1bqz n HIS 32 CO 0.00 0.00 0.00 -0.35 -2.81 0.00 0.00 176.34 173.18 1bqz n PRO 33 N 0.00 0.52 0.00 -1.40 -0.04 -1.26 -2.58 135.00 130.24 1bqz n PRO 33 Ca 0.00 -0.71 0.00 0.00 -0.04 0.00 0.00 63.50 62.75 1bqz n PRO 33 Cb 0.00 -2.08 0.00 0.00 -0.04 0.00 0.00 33.50 31.38 1bqz n PRO 33 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 1bqz n ASP 34 N 4.69 1.36 -0.04 3.54 5.68 -1.26 -4.81 116.55 125.71 1bqz n ASP 34 Ca 0.11 0.00 -0.01 0.00 -0.50 0.00 0.00 54.79 54.39 1bqz n ASP 34 Cb 0.04 0.09 -0.09 0.00 -1.14 0.00 0.00 41.12 40.01 1bqz n ASP 34 CO 0.00 0.00 0.00 -2.11 -1.33 0.00 0.00 177.20 173.76 1bqz n ARG 35 N -1.31 1.49 0.24 0.11 -4.01 -1.06 -4.40 116.66 107.72 1bqz n ARG 35 Ca 0.00 -0.05 0.07 0.00 -1.04 0.00 0.00 57.85 56.84 1bqz n ARG 35 Cb 0.15 -1.29 0.39 0.00 -3.04 0.00 0.00 32.46 28.68 1bqz n ARG 35 CO 0.00 0.00 0.00 -0.91 -3.04 0.00 0.00 177.63 173.68 1bqz h ASN 36 N 0.00 0.00 0.00 2.89 2.35 -1.72 0.28 115.58 119.38 1bqz h ASN 36 Ca -0.19 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.56 1bqz h ASN 36 Cb 1.25 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.62 1bqz h ASN 36 CO 0.01 0.00 0.00 0.00 -1.65 0.00 0.00 177.43 175.79 1bqz n GLN 37 N -2.31 0.73 0.00 0.81 6.02 -1.26 -4.75 117.38 116.61 1bqz n GLN 37 Ca -0.01 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.98 1bqz n GLN 37 Cb 0.49 -1.06 0.00 0.00 1.02 0.00 0.00 30.24 30.69 1bqz n GLN 37 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1bqz n GLY 38 N 0.21 3.15 5.55 1.08 0.00 0.94 -4.99 105.19 111.14 1bqz n GLY 38 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1bqz n GLY 38 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1bqz n ASP 39 N 0.11 0.00 -0.09 1.61 5.68 -1.02 -3.50 116.55 119.35 1bqz n ASP 39 Ca 0.00 0.00 -0.20 0.00 -0.50 0.00 0.00 54.79 54.09 1bqz n ASP 39 Cb 0.00 0.00 -0.12 0.00 -1.14 0.00 0.00 41.12 39.86 1bqz n ASP 39 CO 0.00 0.00 0.00 0.50 -1.33 0.00 0.00 177.20 176.37 1bqz h LYS 40 N 0.00 0.03 0.00 0.11 1.63 -1.94 -3.49 116.57 112.91 1bqz h LYS 40 Ca 0.00 -0.04 0.00 0.00 -0.85 0.00 0.00 60.65 59.76 1bqz h LYS 40 Cb 0.00 0.02 0.00 0.00 -0.60 0.00 0.00 32.23 31.65 1bqz h LYS 40 CO 0.00 1.02 0.00 -0.85 -3.45 0.00 0.00 179.45 176.17 1bqz n GLU 41 N -4.41 0.00 0.30 1.90 0.28 -1.23 -4.92 120.64 112.56 1bqz n GLU 41 Ca -0.27 0.00 0.11 0.00 -0.16 0.00 0.00 57.16 56.84 1bqz n GLU 41 Cb 0.67 0.00 0.59 0.00 1.43 0.00 0.00 31.44 34.13 1bqz n GLU 41 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1bqz h ALA 42 N 0.00 1.42 -0.63 -1.84 0.00 -1.94 -2.45 119.26 113.82 1bqz h ALA 42 Ca 0.00 0.00 0.16 0.00 0.00 0.00 0.00 54.91 55.07 1bqz h ALA 42 Cb 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 17.79 17.67 1bqz h ALA 42 CO 0.00 -0.42 -0.05 -1.91 0.00 0.00 0.00 179.25 176.88 1bqz n GLU 43 N -2.65 -0.05 0.32 0.00 4.07 -1.26 0.23 120.64 121.29 1bqz n GLU 43 Ca -0.01 0.96 -0.18 0.00 -0.06 0.00 0.00 57.16 57.86 1bqz n GLU 43 Cb 0.47 -1.49 -0.10 0.00 -0.06 0.00 0.00 31.44 30.27 1bqz n GLU 43 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1bqz h ALA 44 N 1.26 -1.13 -0.64 4.31 0.00 -1.82 0.14 119.26 121.38 1bqz h ALA 44 Ca 0.35 -0.20 0.18 0.00 0.00 0.00 0.00 54.91 55.25 1bqz h ALA 44 Cb 0.67 0.67 -0.03 0.00 0.00 0.00 0.00 17.79 19.11 1bqz h ALA 44 CO -0.61 -1.17 0.69 -0.22 0.00 0.00 0.00 179.25 177.94 1bqz h LYS 45 N -1.03 0.00 -0.01 0.00 3.64 -0.47 2.63 116.57 121.33 1bqz h LYS 45 Ca -0.07 0.00 -0.13 0.00 -1.27 0.00 0.00 60.65 59.18 1bqz h LYS 45 Cb 0.88 0.00 0.01 0.00 -0.41 0.00 0.00 32.23 32.71 1bqz h LYS 45 CO -0.02 0.00 -0.50 0.74 -2.27 0.00 0.00 179.45 177.40 1bqz h PHE 46 N 0.00 0.52 0.00 1.91 0.04 -0.35 -3.03 116.94 116.04 1bqz h PHE 46 Ca 0.30 -0.28 0.00 0.00 2.80 0.00 0.00 57.97 60.79 1bqz h PHE 46 Cb 1.68 -0.06 0.00 0.00 2.20 0.00 0.00 35.95 39.76 1bqz h PHE 46 CO 0.00 1.09 -0.64 1.57 -0.60 0.00 0.00 178.31 179.73 1bqz h LYS 47 N -0.19 0.00 -0.37 1.51 -0.00 1.00 -3.21 116.57 115.31 1bqz h LYS 47 Ca -0.06 0.00 -0.01 0.00 -0.00 0.00 0.00 60.65 60.58 1bqz h LYS 47 Cb 1.22 0.00 -0.02 0.00 -0.00 0.00 0.00 32.23 33.43 1bqz h LYS 47 CO 0.10 0.00 0.17 0.93 -0.00 0.00 0.00 179.45 180.65 1bqz h GLU 48 N 0.00 0.50 -0.32 0.07 4.39 0.44 -0.93 114.58 118.73 1bqz h GLU 48 Ca 0.00 -0.05 -0.01 0.00 0.34 0.00 0.00 59.36 59.64 1bqz h GLU 48 Cb 0.82 -0.10 -0.01 0.00 -0.10 0.00 0.00 28.75 29.36 1bqz h GLU 48 CO 0.00 0.40 0.17 0.82 -1.16 0.00 0.00 179.01 179.24 1bqz h ILE 49 N 0.51 1.14 -0.48 3.13 2.04 -1.53 -1.77 117.51 120.56 1bqz h ILE 49 Ca 0.13 -0.38 0.12 0.00 1.00 0.00 0.00 64.86 65.74 1bqz h ILE 49 Cb 0.06 0.81 -0.02 0.00 -0.74 0.00 0.00 36.82 36.93 1bqz h ILE 49 CO -0.02 0.14 0.34 0.50 0.00 0.00 0.00 178.15 179.11 1bqz h LYS 50 N 0.39 0.07 -0.38 2.37 3.64 -1.30 -0.32 116.57 121.04 1bqz h LYS 50 Ca 0.11 -0.00 -0.15 0.00 -1.27 0.00 0.00 60.65 59.33 1bqz h LYS 50 Cb 0.08 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 31.87 1bqz h LYS 50 CO -0.02 0.05 -0.37 1.49 -2.27 0.00 0.00 179.45 178.33 1bqz h GLU 51 N 0.08 0.90 -1.39 1.90 4.81 -1.01 -3.01 114.58 116.85 1bqz h GLU 51 Ca 0.23 -0.46 0.46 0.00 -0.13 0.00 0.00 59.36 59.45 1bqz h GLU 51 Cb 0.80 0.01 -0.11 0.00 0.63 0.00 0.00 28.75 30.08 1bqz h GLU 51 CO -0.02 1.11 0.93 0.00 -0.73 0.00 0.00 179.01 180.31 1bqz n ALA 52 N -2.54 1.37 -0.32 2.92 0.00 -0.13 0.14 120.51 121.95 1bqz n ALA 52 Ca -0.02 0.73 0.08 0.00 0.00 0.00 0.00 53.44 54.23 1bqz n ALA 52 Cb 0.53 -0.98 0.24 0.00 0.00 0.00 0.00 19.45 19.24 1bqz n ALA 52 CO 0.00 0.00 0.00 1.88 0.00 0.00 0.00 177.50 179.38 1bqz h TYR 53 N 0.00 0.93 0.00 0.00 0.05 -1.64 1.03 116.97 117.34 1bqz h TYR 53 Ca 0.81 0.03 0.00 0.00 0.05 0.00 0.00 58.73 59.62 1bqz h TYR 53 Cb 2.80 -0.28 0.00 0.00 1.01 0.00 0.00 36.73 40.26 1bqz h TYR 53 CO -0.00 0.28 0.04 0.93 -1.05 0.00 0.00 178.16 178.35 1bqz h GLU 54 N 0.76 0.00 0.00 4.88 5.08 0.10 0.50 114.58 125.91 1bqz h GLU 54 Ca 0.48 0.00 -0.10 0.00 -1.00 0.00 0.00 59.36 58.75 1bqz h GLU 54 Cb 0.62 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.86 1bqz h GLU 54 CO -0.33 0.00 -1.32 1.55 -1.00 0.00 0.00 179.01 177.92 1bqz n VAL 55 N -2.39 1.50 0.08 3.13 3.14 0.34 -4.54 118.33 119.59 1bqz n VAL 55 Ca -0.02 0.03 -0.01 0.00 -2.96 0.00 0.00 64.34 61.38 1bqz n VAL 55 Cb 0.07 -2.24 -0.05 0.00 -1.06 0.00 0.00 33.84 30.57 1bqz n VAL 55 CO 0.00 0.00 0.00 0.17 -6.46 0.00 0.00 176.83 170.54 1bqz h LEU 56 N -0.99 0.00 -2.78 6.55 8.10 -0.86 2.18 115.31 127.52 1bqz h LEU 56 Ca -0.15 0.00 -0.20 0.00 0.11 0.00 0.00 57.88 57.64 1bqz h LEU 56 Cb 1.12 0.00 -0.12 0.00 -0.44 0.00 0.00 40.66 41.22 1bqz h LEU 56 CO -0.09 0.67 0.25 0.35 -4.11 0.00 0.00 178.44 175.51 1bqz n THR 57 N -3.16 1.87 -3.64 0.15 -2.24 0.17 -4.47 114.28 102.97 1bqz n THR 57 Ca -0.03 -0.81 -0.11 0.00 -2.27 0.00 0.00 64.05 60.83 1bqz n THR 57 Cb 0.83 -0.72 -0.11 0.00 -2.10 0.00 0.00 70.33 68.23 1bqz n THR 57 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1bqz s ASP 58 N -0.05 0.09 0.62 3.42 1.11 -1.24 -4.90 116.67 115.72 1bqz s ASP 58 Ca 0.25 0.74 0.21 0.00 0.18 0.00 0.00 52.55 53.93 1bqz s ASP 58 Cb 0.21 1.02 0.90 0.00 1.07 0.00 0.00 42.92 46.11 1bqz s ASP 58 CO 0.05 -0.24 1.42 0.77 1.18 0.00 0.00 175.17 178.35 1bqz h SER 59 N 8.23 0.00 0.00 0.27 4.64 -1.85 -0.90 113.55 123.94 1bqz h SER 59 Ca -0.15 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.17 1bqz h SER 59 Cb 1.11 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.20 1bqz h SER 59 CO 0.14 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 176.10 1bqz n GLN 60 N -3.12 0.00 0.09 4.77 6.02 -1.26 -1.85 117.38 122.04 1bqz n GLN 60 Ca 0.12 0.35 -0.14 0.00 -0.01 0.00 0.00 57.00 57.32 1bqz n GLN 60 Cb 1.11 -1.34 -0.11 0.00 1.02 0.00 0.00 30.24 30.92 1bqz n GLN 60 CO 0.00 0.00 0.00 0.87 -1.01 0.00 0.00 177.06 176.92 1bqz h LYS 61 N 0.00 0.27 -0.13 -1.09 1.79 -1.45 -1.15 116.57 114.81 1bqz h LYS 61 Ca 0.00 -0.41 -0.05 0.00 -2.18 0.00 0.00 60.65 58.01 1bqz h LYS 61 Cb 0.00 0.14 -0.01 0.00 -1.58 0.00 0.00 32.23 30.78 1bqz h LYS 61 CO 0.00 1.16 -0.13 0.07 -1.08 0.00 0.00 179.45 179.47 1bqz h ARG 62 N 0.10 0.20 0.00 3.15 0.11 0.50 2.12 114.38 120.56 1bqz h ARG 62 Ca -0.11 -0.04 -0.04 0.00 0.10 0.00 0.00 59.98 59.89 1bqz h ARG 62 Cb 1.84 -0.03 -0.01 0.00 1.11 0.00 0.00 29.97 32.89 1bqz h ARG 62 CO 0.19 0.34 -1.04 0.00 0.10 0.00 0.00 179.97 179.56 1bqz h ALA 63 N 1.68 0.56 0.04 0.08 0.00 -1.40 -3.22 119.26 117.00 1bqz h ALA 63 Ca 0.04 -0.19 -0.29 0.00 0.00 0.00 0.00 54.91 54.48 1bqz h ALA 63 Cb 0.36 0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.17 1bqz h ALA 63 CO 0.02 0.21 -1.56 0.00 0.00 0.00 0.00 179.25 177.92 1bqz n ALA 64 N -2.22 0.83 0.19 0.00 0.00 -0.44 -4.26 120.51 114.62 1bqz n ALA 64 Ca -0.02 -0.54 0.04 0.00 0.00 0.00 0.00 53.44 52.92 1bqz n ALA 64 Cb 0.61 -0.58 0.39 0.00 0.00 0.00 0.00 19.45 19.87 1bqz n ALA 64 CO 0.00 0.00 0.00 1.88 0.00 0.00 0.00 177.50 179.38 1bqz h TYR 65 N -0.62 0.00 -0.67 0.00 -1.99 0.32 -1.36 116.97 112.65 1bqz h TYR 65 Ca -0.39 0.00 0.19 0.00 2.00 0.00 0.00 58.73 60.54 1bqz h TYR 65 Cb 1.57 0.00 -0.03 0.00 2.00 0.00 0.00 36.73 40.27 1bqz h TYR 65 CO 0.09 0.35 0.53 0.38 -0.00 0.00 0.00 178.16 179.50 1bqz h ASP 66 N 0.00 0.00 0.00 3.88 3.04 -1.68 0.06 116.42 121.72 1bqz h ASP 66 Ca -0.00 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.79 1bqz h ASP 66 Cb 0.64 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.93 1bqz h ASP 66 CO 0.05 0.00 0.00 0.00 -2.04 0.00 0.00 179.24 177.25 1bqz n GLN 67 N -4.13 2.90 -2.04 4.15 10.64 -1.00 -4.84 117.38 123.07 1bqz n GLN 67 Ca 0.13 -1.47 -0.12 0.00 -1.83 0.00 0.00 57.00 53.72 1bqz n GLN 67 Cb 0.79 -0.98 -0.02 0.00 -0.86 0.00 0.00 30.24 29.16 1bqz n GLN 67 CO 0.00 0.00 0.00 0.66 -1.83 0.00 0.00 177.06 175.89 1bqz n TYR 68 N -0.48 -1.07 0.00 2.61 4.01 0.01 -4.36 117.16 117.87 1bqz n TYR 68 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.74 1bqz n TYR 68 Cb 0.26 -2.56 0.00 0.00 -0.31 0.00 0.00 39.34 36.72 1bqz n TYR 68 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1bqz n GLY 69 N -0.58 -0.50 0.38 2.72 0.00 -0.91 -4.45 105.19 101.85 1bqz n GLY 69 Ca -0.13 -1.35 0.15 0.00 0.00 0.00 0.00 46.02 44.69 1bqz n GLY 69 CO 0.00 0.00 0.00 1.12 0.00 0.00 0.00 173.32 174.44 1bqz h HIS 70 N 0.00 0.00 -0.97 1.61 2.07 -1.89 -0.74 115.15 115.23 1bqz h HIS 70 Ca 0.00 0.00 0.28 0.00 -2.85 0.00 0.00 60.37 57.80 1bqz h HIS 70 Cb 0.00 0.00 -0.14 0.00 2.57 0.00 0.00 27.41 29.84 1bqz h HIS 70 CO 0.00 0.00 0.49 0.00 -3.07 0.00 0.00 177.93 175.35 1bqz h ALA 71 N 0.97 1.73 0.00 6.11 0.00 -1.80 2.03 119.26 128.29 1bqz h ALA 71 Ca 0.12 0.18 0.00 0.00 0.00 0.00 0.00 54.91 55.21 1bqz h ALA 71 Cb 1.39 0.16 0.00 0.00 0.00 0.00 0.00 17.79 19.33 1bqz h ALA 71 CO -0.00 -0.46 0.05 0.00 0.00 0.00 0.00 179.25 178.84 1bqz h ALA 72 N 1.79 1.03 0.00 0.00 0.00 -1.33 -0.32 119.26 120.44 1bqz h ALA 72 Ca 0.66 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.57 1bqz h ALA 72 Cb 1.40 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.19 1bqz h ALA 72 CO -0.58 -0.03 -0.07 1.19 0.00 0.00 0.00 179.25 179.76 1bqz n PHE 73 N -2.35 0.00 -4.96 0.00 3.72 0.67 -5.11 117.46 109.43 1bqz n PHE 73 Ca -0.02 -0.60 0.00 0.00 -0.05 0.00 0.00 57.45 56.78 1bqz n PHE 73 Cb 0.08 -0.09 0.00 0.00 -0.94 0.00 0.00 39.48 38.53 1bqz n PHE 73 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 176.76 177.10 1bqz n GLU 74 N -0.80 0.00 0.00 -1.08 1.02 -0.13 -4.95 120.64 114.70 1bqz n GLU 74 Ca 0.07 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.21 1bqz n GLU 74 Cb 0.51 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.93 1bqz n GLU 74 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 1bqz n GLN 75 N 0.00 0.00 -3.53 3.49 6.02 -1.26 -4.35 117.38 117.75 1bqz n GLN 75 Ca 0.00 0.00 -0.27 0.00 -0.01 0.00 0.00 57.00 56.72 1bqz n GLN 75 Cb 0.00 0.00 -0.10 0.00 1.02 0.00 0.00 30.24 31.16 1bqz n GLN 75 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1bqz n GLY 76 N 0.00 2.78 0.00 1.08 0.00 -1.26 -5.20 105.19 102.59 1bqz n GLY 76 Ca 0.00 -1.73 0.00 0.00 0.00 0.00 0.00 46.02 44.29 1bqz n GLY 76 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93