#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bqz n LYS 2 N 0.00 1.30 -0.24 0.00 3.00 -1.26 -4.98 118.16 115.98 1bqz n LYS 2 Ca 0.00 0.46 0.00 0.00 -0.00 0.00 0.00 58.31 58.77 1bqz n LYS 2 Cb 0.00 -1.86 0.00 0.00 0.00 0.00 0.00 35.03 33.17 1bqz n LYS 2 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.40 178.44 1bqz n GLN 3 N 1.06 1.60 -3.95 1.64 6.02 -1.26 -5.06 117.38 117.43 1bqz n GLN 3 Ca 0.11 0.00 -0.30 0.00 -0.01 0.00 0.00 57.00 56.80 1bqz n GLN 3 Cb 0.30 0.00 -0.14 0.00 1.02 0.00 0.00 30.24 31.42 1bqz n GLN 3 CO 0.00 0.00 0.00 0.16 -1.01 0.00 0.00 177.06 176.21 1bqz s ASP 4 N -1.00 4.35 0.41 1.08 1.47 -1.26 -4.95 116.67 116.77 1bqz s ASP 4 Ca 0.00 -2.88 0.19 0.00 1.18 0.00 0.00 52.55 51.04 1bqz s ASP 4 Cb 0.00 -1.61 1.12 0.00 -0.34 0.00 0.00 42.92 42.09 1bqz s ASP 4 CO 0.00 -0.25 1.80 0.10 0.68 0.00 0.00 175.17 177.49 1bqz h TYR 5 N 6.66 0.59 -0.05 2.11 -0.00 -1.96 2.64 116.97 126.96 1bqz h TYR 5 Ca -0.07 0.02 -0.06 0.00 0.00 0.00 0.00 58.73 58.62 1bqz h TYR 5 Cb 0.91 -0.17 -0.01 0.00 0.00 0.00 0.00 36.73 37.46 1bqz h TYR 5 CO 0.51 0.08 -0.25 1.88 -0.00 0.00 0.00 178.16 180.38 1bqz h TYR 6 N 0.38 0.09 0.00 0.10 0.05 -1.92 -0.46 116.97 115.20 1bqz h TYR 6 Ca 0.56 -0.01 -0.03 0.00 0.05 0.00 0.00 58.73 59.29 1bqz h TYR 6 Cb 1.46 -0.02 -0.01 0.00 1.01 0.00 0.00 36.73 39.17 1bqz h TYR 6 CO -0.00 0.33 -0.78 1.49 -1.05 0.00 0.00 178.16 178.15 1bqz h GLU 7 N 0.08 0.00 -0.82 4.88 4.81 0.33 2.22 114.58 126.08 1bqz h GLU 7 Ca 0.01 0.00 0.20 0.00 -0.13 0.00 0.00 59.36 59.44 1bqz h GLU 7 Cb 0.49 0.00 -0.13 0.00 0.63 0.00 0.00 28.75 29.75 1bqz h GLU 7 CO 0.04 0.09 0.22 0.82 -0.73 0.00 0.00 179.01 179.44 1bqz h ILE 8 N 0.00 0.41 0.00 2.32 2.04 0.53 0.52 117.51 123.34 1bqz h ILE 8 Ca -0.02 -0.09 -0.11 0.00 1.00 0.00 0.00 64.86 65.64 1bqz h ILE 8 Cb 1.12 0.14 -0.02 0.00 -0.74 0.00 0.00 36.82 37.32 1bqz h ILE 8 CO 0.01 0.05 -1.24 -0.07 0.00 0.00 0.00 178.15 176.90 1bqz h LEU 9 N 0.26 0.00 0.00 1.44 -0.00 -1.60 -3.47 115.31 111.94 1bqz h LEU 9 Ca 0.49 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 58.37 1bqz h LEU 9 Cb 0.93 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.59 1bqz h LEU 9 CO -0.58 0.37 0.00 0.61 -0.00 0.00 0.00 178.44 178.84 1bqz n GLY 10 N 1.31 1.07 3.94 0.83 0.00 0.18 -4.56 105.19 107.96 1bqz n GLY 10 Ca -0.06 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.75 1bqz n GLY 10 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1bqz s VAL 11 N -2.00 4.78 0.46 1.61 -7.23 0.75 -4.85 120.40 113.91 1bqz s VAL 11 Ca 0.00 -1.08 -0.04 0.00 -1.81 0.00 0.00 61.98 59.05 1bqz s VAL 11 Cb 0.00 -3.65 -0.03 0.00 0.56 0.00 0.00 36.38 33.26 1bqz s VAL 11 CO 0.00 -0.29 0.74 -0.44 -0.31 0.00 0.00 175.10 174.80 1bqz s SER 12 N -4.00 6.21 0.14 4.85 0.01 -1.26 -2.94 113.70 116.72 1bqz s SER 12 Ca 0.36 0.78 0.08 0.00 1.31 0.00 0.00 55.95 58.49 1bqz s SER 12 Cb -0.09 -2.14 0.44 0.00 0.21 0.00 0.00 66.02 64.45 1bqz s SER 12 CO 0.29 -0.55 1.20 2.29 0.41 0.00 0.00 173.24 176.87 1bqz n LYS 13 N -2.17 0.05 0.00 12.44 0.00 -1.26 0.27 118.16 127.49 1bqz n LYS 13 Ca -0.00 0.51 0.13 0.00 -0.00 0.00 0.00 58.31 58.95 1bqz n LYS 13 Cb 0.56 -1.76 0.40 0.00 -0.00 0.00 0.00 35.03 34.23 1bqz n LYS 13 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.40 177.65 1bqz n THR 14 N -1.76 0.00 0.00 0.58 -2.24 -1.26 -4.16 114.28 105.44 1bqz n THR 14 Ca -0.01 -0.09 0.00 0.00 -2.27 0.00 0.00 64.05 61.69 1bqz n THR 14 Cb 0.09 0.25 0.00 0.00 -2.10 0.00 0.00 70.33 68.58 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 -0.89 0.00 -3.00 6.98 0.00 0.76 -5.08 120.51 119.28 1bqz n ALA 15 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.55 1bqz n ALA 15 Cb 0.33 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.78 1bqz n ALA 15 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1bqz n GLU 16 N 0.00 0.00 -0.23 0.00 -0.58 -1.26 -4.97 120.64 113.60 1bqz n GLU 16 Ca 0.00 0.00 0.06 0.00 -0.42 0.00 0.00 57.16 56.80 1bqz n GLU 16 Cb 0.00 0.00 0.18 0.00 -0.57 0.00 0.00 31.44 31.05 1bqz n GLU 16 CO 0.00 0.00 0.00 -0.85 -0.48 0.00 0.00 177.13 175.80 1bqz n GLU 17 N 0.00 2.06 0.00 3.49 0.28 -1.26 -4.03 120.64 121.18 1bqz n GLU 17 Ca 0.00 -1.48 0.00 0.00 -0.16 0.00 0.00 57.16 55.52 1bqz n GLU 17 Cb 0.00 -1.38 0.00 0.00 1.43 0.00 0.00 31.44 31.49 1bqz n GLU 17 CO 0.00 0.00 0.00 2.89 -0.16 0.00 0.00 177.13 179.86 1bqz n ARG 18 N 0.65 0.00 -0.23 3.44 1.85 -1.26 -3.15 116.66 117.96 1bqz n ARG 18 Ca 0.14 0.00 0.30 0.00 -1.00 0.00 0.00 57.85 57.28 1bqz n ARG 18 Cb 0.38 0.00 0.52 0.00 -1.05 0.00 0.00 32.46 32.31 1bqz n ARG 18 CO 0.00 0.00 0.00 1.05 -0.01 0.00 0.00 177.63 178.67 1bqz h GLU 19 N 0.00 0.00 -0.27 2.89 4.11 -1.97 3.37 114.58 122.71 1bqz h GLU 19 Ca 0.00 0.00 -0.12 0.00 0.07 0.00 0.00 59.36 59.31 1bqz h GLU 19 Cb 0.00 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.24 1bqz h GLU 19 CO 0.00 0.00 -0.34 0.97 0.07 0.00 0.00 179.01 179.71 1bqz h ILE 20 N 0.00 1.29 0.00 -1.06 6.09 -1.78 0.93 117.51 122.98 1bqz h ILE 20 Ca 0.50 -1.47 -0.25 0.00 -1.37 0.00 0.00 64.86 62.27 1bqz h ILE 20 Cb 2.78 1.46 -0.04 0.00 0.47 0.00 0.00 36.82 41.49 1bqz h ILE 20 CO -0.01 0.47 -1.44 0.08 -3.07 0.00 0.00 178.15 174.18 1bqz h ARG 21 N 0.49 0.00 0.03 2.19 -0.00 0.61 -3.36 114.38 114.35 1bqz h ARG 21 Ca 0.05 0.00 -0.12 0.00 -0.00 0.00 0.00 59.98 59.91 1bqz h ARG 21 Cb 0.83 0.00 0.01 0.00 -0.00 0.00 0.00 29.97 30.81 1bqz h ARG 21 CO 0.07 0.58 -0.50 -0.22 -0.00 0.00 0.00 179.97 179.89 1bqz h LYS 22 N 0.00 0.28 -0.92 0.08 1.63 -0.52 -2.69 116.57 114.42 1bqz h LYS 22 Ca -0.19 -0.35 0.26 0.00 -0.85 0.00 0.00 60.65 59.52 1bqz h LYS 22 Cb 1.86 0.11 -0.14 0.00 -0.60 0.00 0.00 32.23 33.46 1bqz h LYS 22 CO 0.08 1.08 0.36 0.00 -3.45 0.00 0.00 179.45 177.52 1bqz h ALA 23 N 0.22 1.50 0.00 5.00 0.00 0.75 0.45 119.26 127.18 1bqz h ALA 23 Ca -0.07 0.20 -0.21 0.00 0.00 0.00 0.00 54.91 54.83 1bqz h ALA 23 Cb 1.28 0.24 0.02 0.00 0.00 0.00 0.00 17.79 19.33 1bqz h ALA 23 CO 0.10 -0.47 -0.83 -0.92 0.00 0.00 0.00 179.25 177.12 1bqz h TYR 24 N 0.28 0.83 -0.99 0.00 3.20 -1.71 -3.03 116.97 115.56 1bqz h TYR 24 Ca 0.61 -0.46 0.24 0.00 3.14 0.00 0.00 58.73 62.27 1bqz h TYR 24 Cb 1.27 -0.09 -0.08 0.00 1.54 0.00 0.00 36.73 39.37 1bqz h TYR 24 CO -0.17 1.28 0.65 0.87 -1.64 0.00 0.00 178.16 179.15 1bqz h LYS 25 N 0.14 0.37 0.02 1.82 1.57 0.10 2.41 116.57 123.00 1bqz h LYS 25 Ca -0.10 -0.02 -0.00 0.00 -1.87 0.00 0.00 60.65 58.65 1bqz h LYS 25 Cb 1.52 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 33.74 1bqz h LYS 25 CO 0.16 0.25 -0.01 0.00 -0.57 0.00 0.00 179.45 179.28 1bqz h ARG 26 N 0.39 -0.02 0.11 3.15 2.47 -0.65 -1.62 114.38 118.20 1bqz h ARG 26 Ca 0.54 0.00 -0.27 0.00 -1.26 0.00 0.00 59.98 58.99 1bqz h ARG 26 Cb 1.39 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.72 1bqz h ARG 26 CO -0.23 0.67 -1.19 1.37 0.56 0.00 0.00 179.97 181.15 1bqz h LEU 27 N -0.75 0.44 -0.37 3.04 8.10 -1.23 -2.83 115.31 121.72 1bqz h LEU 27 Ca -0.00 -0.45 -0.11 0.00 0.11 0.00 0.00 57.88 57.43 1bqz h LEU 27 Cb 0.70 -0.14 -0.01 0.00 -0.44 0.00 0.00 40.66 40.77 1bqz h LEU 27 CO 0.00 1.33 -0.20 0.00 -4.11 0.00 0.00 178.44 175.47 1bqz h ALA 28 N 0.61 0.52 0.00 0.17 0.00 0.39 0.83 119.26 121.79 1bqz h ALA 28 Ca -0.12 -0.37 -0.04 0.00 0.00 0.00 0.00 54.91 54.38 1bqz h ALA 28 Cb 1.90 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 19.56 1bqz h ALA 28 CO 0.20 0.47 -0.18 0.00 0.00 0.00 0.00 179.25 179.74 1bqz h MET 29 N 0.58 0.00 0.00 0.00 -0.00 -1.37 0.58 114.93 114.72 1bqz h MET 29 Ca 0.08 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.78 1bqz h MET 29 Cb 0.75 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.35 1bqz h MET 29 CO 0.06 0.18 -0.77 0.87 -0.00 0.00 0.00 176.91 177.25 1bqz h LYS 30 N 0.00 0.00 -0.19 -0.10 1.57 -1.11 -3.32 116.57 113.42 1bqz h LYS 30 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1bqz h LYS 30 Cb 0.51 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.82 1bqz h LYS 30 CO 0.02 0.00 0.00 0.66 -0.57 0.00 0.00 179.45 179.56 1bqz n TYR 31 N -2.49 0.24 0.00 -1.35 4.02 0.28 -4.78 117.16 113.09 1bqz n TYR 31 Ca 0.02 -0.27 0.00 0.00 -0.01 0.00 0.00 57.90 57.64 1bqz n TYR 31 Cb 0.50 -0.01 0.00 0.00 -0.02 0.00 0.00 39.34 39.81 1bqz n TYR 31 CO 0.00 0.00 0.00 -2.39 -1.01 0.00 0.00 176.86 173.46 1bqz n HIS 32 N 0.55 0.00 -0.44 -0.72 1.44 0.19 -3.51 115.22 112.73 1bqz n HIS 32 Ca 0.09 0.00 -0.08 0.00 -2.01 0.00 0.00 57.72 55.72 1bqz n HIS 32 Cb 0.35 0.00 -0.05 0.00 0.12 0.00 0.00 29.99 30.41 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 0.99 -0.07 -1.40 -0.04 -1.26 -3.32 135.00 129.90 1bqz n PRO 33 Ca 0.00 -0.60 -0.11 0.00 -0.04 0.00 0.00 63.50 62.74 1bqz n PRO 33 Cb 0.00 -1.86 -0.06 0.00 -0.04 0.00 0.00 33.50 31.54 1bqz n PRO 33 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 1bqz n ASP 34 N 3.20 2.34 0.00 3.54 2.03 -1.26 -4.89 116.55 121.51 1bqz n ASP 34 Ca 0.21 0.01 0.00 0.00 0.52 0.00 0.00 54.79 55.53 1bqz n ASP 34 Cb 0.30 -0.28 0.00 0.00 -0.72 0.00 0.00 41.12 40.42 1bqz n ASP 34 CO 0.00 0.00 0.00 -2.11 -1.92 0.00 0.00 177.20 173.17 1bqz n ARG 35 N -3.14 1.30 -0.05 -0.67 -4.01 -1.21 -4.82 116.66 104.06 1bqz n ARG 35 Ca -0.26 0.00 0.24 0.00 -1.04 0.00 0.00 57.85 56.80 1bqz n ARG 35 Cb 0.74 -0.45 0.63 0.00 -3.04 0.00 0.00 32.46 30.34 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 0.22 2.89 4.21 -1.59 1.33 115.58 122.64 1bqz h ASN 36 Ca 0.00 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.51 1bqz h ASN 36 Cb 0.00 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.20 1bqz h ASN 36 CO 0.00 0.00 0.00 0.00 -1.29 0.00 0.00 177.43 176.14 1bqz n GLN 37 N -3.54 0.02 -1.14 0.81 6.02 -1.26 -1.72 117.38 116.57 1bqz n GLN 37 Ca 0.15 0.41 -0.01 0.00 -0.01 0.00 0.00 57.00 57.54 1bqz n GLN 37 Cb 1.01 -1.55 0.13 0.00 1.02 0.00 0.00 30.24 30.86 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 -0.85 4.61 2.74 1.08 0.00 0.46 -4.90 105.19 108.33 1bqz n GLY 38 Ca 0.01 -1.51 -0.28 0.00 0.00 0.00 0.00 46.02 44.25 1bqz n GLY 38 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1bqz n ASP 39 N -0.77 2.15 -2.14 1.61 9.92 -0.70 -4.94 116.55 121.69 1bqz n ASP 39 Ca 0.22 -3.01 -0.19 0.00 -0.53 0.00 0.00 54.79 51.28 1bqz n ASP 39 Cb 0.82 -0.70 -0.05 0.00 -0.64 0.00 0.00 41.12 40.55 1bqz n ASP 39 CO 0.00 0.00 0.00 1.17 0.13 0.00 0.00 177.20 178.50 1bqz n LYS 40 N 2.11 2.03 0.00 -1.24 0.00 -1.26 -2.04 118.16 117.76 1bqz n LYS 40 Ca 0.23 -1.66 0.00 0.00 0.00 0.00 0.00 58.31 56.88 1bqz n LYS 40 Cb 0.39 -1.86 0.00 0.00 0.00 0.00 0.00 35.03 33.55 1bqz n LYS 40 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.40 176.55 1bqz n GLU 41 N 1.08 0.00 0.11 1.64 0.28 -1.26 -4.90 120.64 117.59 1bqz n GLU 41 Ca 0.38 0.00 0.12 0.00 -0.16 0.00 0.00 57.16 57.50 1bqz n GLU 41 Cb 0.62 0.00 0.08 0.00 1.43 0.00 0.00 31.44 33.57 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 0.60 -0.79 -1.84 0.00 -1.95 -3.36 119.26 111.93 1bqz h ALA 42 Ca 0.00 0.00 0.17 0.00 0.00 0.00 0.00 54.91 55.08 1bqz h ALA 42 Cb 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 17.79 17.64 1bqz h ALA 42 CO 0.00 0.00 -0.13 1.49 0.00 0.00 0.00 179.25 180.61 1bqz h GLU 43 N 0.00 0.03 0.10 0.00 4.81 -1.75 -1.34 114.58 116.42 1bqz h GLU 43 Ca 0.00 -0.00 0.02 0.00 -0.13 0.00 0.00 59.36 59.25 1bqz h GLU 43 Cb 0.93 -0.01 -0.04 0.00 0.63 0.00 0.00 28.75 30.27 1bqz h GLU 43 CO 0.00 0.02 -0.27 0.00 -0.73 0.00 0.00 179.01 178.03 1bqz h ALA 44 N 1.78 -0.44 -0.71 2.92 0.00 -1.85 0.60 119.26 121.56 1bqz h ALA 44 Ca 0.40 -0.04 0.21 0.00 0.00 0.00 0.00 54.91 55.48 1bqz h ALA 44 Cb 0.66 0.44 -0.03 0.00 0.00 0.00 0.00 17.79 18.86 1bqz h ALA 44 CO -0.78 -0.80 0.89 -0.22 0.00 0.00 0.00 179.25 178.35 1bqz h LYS 45 N -0.46 0.00 -0.00 0.00 3.64 -1.48 2.74 116.57 121.00 1bqz h LYS 45 Ca 0.04 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.40 1bqz h LYS 45 Cb 0.50 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.32 1bqz h LYS 45 CO -0.17 0.00 -0.04 0.74 -2.27 0.00 0.00 179.45 177.71 1bqz h PHE 46 N 0.00 0.05 0.00 1.91 0.04 -0.81 -3.13 116.94 115.00 1bqz h PHE 46 Ca 0.34 -0.02 0.00 0.00 2.80 0.00 0.00 57.97 61.08 1bqz h PHE 46 Cb 2.12 -0.01 0.00 0.00 2.20 0.00 0.00 35.95 40.26 1bqz h PHE 46 CO 0.00 0.78 -0.44 0.36 -0.60 0.00 0.00 178.31 178.41 1bqz n LYS 47 N -4.69 0.08 0.09 1.51 0.00 0.12 -3.35 118.16 111.91 1bqz n LYS 47 Ca -0.09 0.03 0.02 0.00 -0.00 0.00 0.00 58.31 58.26 1bqz n LYS 47 Cb 0.39 -1.55 0.38 0.00 -0.00 0.00 0.00 35.03 34.25 1bqz n LYS 47 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.40 178.33 1bqz h GLU 48 N 0.00 0.31 -0.07 -1.58 4.39 0.46 -1.75 114.58 116.33 1bqz h GLU 48 Ca 0.00 -0.06 -0.00 0.00 0.34 0.00 0.00 59.36 59.63 1bqz h GLU 48 Cb 0.56 -0.05 -0.00 0.00 -0.10 0.00 0.00 28.75 29.17 1bqz h GLU 48 CO 0.00 0.40 0.04 0.82 -1.16 0.00 0.00 179.01 179.10 1bqz h ILE 49 N 0.30 1.11 -0.63 3.13 2.04 -1.55 -2.93 117.51 118.98 1bqz h ILE 49 Ca 0.06 -0.31 0.11 0.00 1.00 0.00 0.00 64.86 65.72 1bqz h ILE 49 Cb 0.32 1.18 -0.12 0.00 -0.74 0.00 0.00 36.82 37.47 1bqz h ILE 49 CO 0.02 0.09 -0.34 0.11 0.00 0.00 0.00 178.15 178.03 1bqz h LYS 50 N 0.00 -0.14 -0.57 2.37 1.57 -1.47 0.15 116.57 118.49 1bqz h LYS 50 Ca 0.03 0.01 0.23 0.00 -1.87 0.00 0.00 60.65 59.05 1bqz h LYS 50 Cb 0.12 0.03 -0.10 0.00 0.08 0.00 0.00 32.23 32.36 1bqz h LYS 50 CO -0.00 -0.09 0.29 -1.91 -0.57 0.00 0.00 179.45 177.17 1bqz n GLU 51 N -5.44 -0.03 -0.55 3.15 2.13 -1.11 0.14 120.64 118.94 1bqz n GLU 51 Ca 0.05 0.79 0.43 0.00 0.66 0.00 0.00 57.16 59.08 1bqz n GLU 51 Cb 0.36 -1.40 0.68 0.00 0.27 0.00 0.00 31.44 31.34 1bqz n GLU 51 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1bqz n ALA 52 N -2.62 1.49 0.22 4.31 0.00 0.54 0.19 120.51 124.64 1bqz n ALA 52 Ca 0.21 0.66 0.17 0.00 0.00 0.00 0.00 53.44 54.48 1bqz n ALA 52 Cb 0.72 -0.98 0.73 0.00 0.00 0.00 0.00 19.45 19.92 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 0.00 0.00 0.00 0.05 0.10 2.45 116.97 119.57 1bqz h TYR 53 Ca 0.81 0.00 -0.02 0.00 0.05 0.00 0.00 58.73 59.57 1bqz h TYR 53 Cb 3.01 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 40.75 1bqz h TYR 53 CO -0.00 0.00 -0.12 0.93 -1.05 0.00 0.00 178.16 177.92 1bqz h GLU 54 N 0.00 0.00 0.00 4.88 5.08 0.18 2.33 114.58 127.06 1bqz h GLU 54 Ca 0.09 0.00 -0.36 0.00 -1.00 0.00 0.00 59.36 58.09 1bqz h GLU 54 Cb 0.97 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 30.16 1bqz h GLU 54 CO -0.00 0.12 -2.38 0.28 -1.00 0.00 0.00 179.01 176.03 1bqz n VAL 55 N -3.45 1.39 1.47 3.13 0.31 0.78 -2.45 118.33 119.51 1bqz n VAL 55 Ca -0.01 -0.54 0.14 0.00 -0.01 0.00 0.00 64.34 63.92 1bqz n VAL 55 Cb 0.28 -1.33 0.57 0.00 -0.91 0.00 0.00 33.84 32.44 1bqz n VAL 55 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1bqz n LEU 56 N -3.19 0.89 -1.52 7.52 -0.00 0.12 -2.81 117.00 118.00 1bqz n LEU 56 Ca -0.43 -0.23 -0.02 0.00 -0.00 0.00 0.00 56.01 55.34 1bqz n LEU 56 Cb 0.96 -0.08 -0.00 0.00 -0.00 0.00 0.00 43.42 44.29 1bqz n LEU 56 CO 0.25 0.16 0.24 0.35 -0.00 0.00 0.00 177.39 178.38 1bqz n THR 57 N -0.51 0.11 -3.62 1.47 -2.24 0.78 -4.39 114.28 105.88 1bqz n THR 57 Ca 0.17 -0.74 -0.10 0.00 -2.27 0.00 0.00 64.05 61.11 1bqz n THR 57 Cb 0.30 0.81 -0.10 0.00 -2.10 0.00 0.00 70.33 69.24 1bqz n THR 57 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1bqz s ASP 58 N -1.65 -0.07 0.32 3.42 -1.08 -1.07 -4.76 116.67 111.78 1bqz s ASP 58 Ca 0.16 0.82 0.06 0.00 -0.52 0.00 0.00 52.55 53.08 1bqz s ASP 58 Cb 0.22 1.19 0.89 0.00 -1.46 0.00 0.00 42.92 43.77 1bqz s ASP 58 CO -0.08 -0.24 1.56 -1.20 0.52 0.00 0.00 175.17 175.73 1bqz n SER 59 N 5.38 -0.01 0.00 -0.34 7.64 -1.26 0.13 113.62 125.16 1bqz n SER 59 Ca -0.07 1.68 0.00 0.00 1.01 0.00 0.00 58.87 61.49 1bqz n SER 59 Cb 0.50 -0.66 0.00 0.00 -1.01 0.00 0.00 64.21 63.04 1bqz n SER 59 CO 0.00 0.00 0.00 1.67 -3.01 0.00 0.00 175.04 173.70 1bqz n GLN 60 N -5.44 0.00 -0.38 1.43 7.27 -1.26 0.08 117.38 119.08 1bqz n GLN 60 Ca 0.27 0.00 0.38 0.00 0.07 0.00 0.00 57.00 57.72 1bqz n GLN 60 Cb 0.88 -0.42 0.76 0.00 2.41 0.00 0.00 30.24 33.87 1bqz n GLN 60 CO 0.00 0.00 0.00 -0.22 0.07 0.00 0.00 177.06 176.91 1bqz h LYS 61 N 0.00 0.00 0.00 3.69 1.63 -1.51 1.28 116.57 121.67 1bqz h LYS 61 Ca 0.00 0.00 -0.01 0.00 -0.85 0.00 0.00 60.65 59.79 1bqz h LYS 61 Cb 0.00 0.00 -0.00 0.00 -0.60 0.00 0.00 32.23 31.63 1bqz h LYS 61 CO 0.00 0.00 -0.05 0.07 -3.45 0.00 0.00 179.45 176.02 1bqz h ARG 62 N 0.00 0.00 -0.88 1.90 0.11 0.15 -3.19 114.38 112.46 1bqz h ARG 62 Ca 0.62 0.00 0.23 0.00 0.10 0.00 0.00 59.98 60.94 1bqz h ARG 62 Cb 2.54 0.00 -0.14 0.00 1.11 0.00 0.00 29.97 33.49 1bqz h ARG 62 CO -0.01 0.05 0.29 0.00 0.10 0.00 0.00 179.97 180.40 1bqz h ALA 63 N 1.95 1.34 -1.29 0.08 0.00 0.57 2.49 119.26 124.40 1bqz h ALA 63 Ca -0.00 0.21 0.37 0.00 0.00 0.00 0.00 54.91 55.49 1bqz h ALA 63 Cb 0.89 0.27 -0.06 0.00 0.00 0.00 0.00 17.79 18.89 1bqz h ALA 63 CO 0.01 -0.44 0.91 0.00 0.00 0.00 0.00 179.25 179.73 1bqz h ALA 64 N 1.76 3.11 -0.74 0.00 0.00 -1.68 1.46 119.26 123.18 1bqz h ALA 64 Ca 0.56 -0.03 0.03 0.00 0.00 0.00 0.00 54.91 55.47 1bqz h ALA 64 Cb 1.12 0.10 -0.04 0.00 0.00 0.00 0.00 17.79 18.97 1bqz h ALA 64 CO -0.62 -1.51 0.49 -0.92 0.00 0.00 0.00 179.25 176.69 1bqz h TYR 65 N 0.05 0.88 0.00 0.00 5.03 0.41 0.67 116.97 124.01 1bqz h TYR 65 Ca 0.63 0.02 0.00 0.00 2.58 0.00 0.00 58.73 61.97 1bqz h TYR 65 Cb 2.41 -0.29 0.00 0.00 1.55 0.00 0.00 36.73 40.40 1bqz h TYR 65 CO -0.00 0.52 -0.21 -0.40 -1.32 0.00 0.00 178.16 176.74 1bqz n ASP 66 N -4.45 0.73 -0.71 -2.11 5.68 0.50 -3.23 116.55 112.96 1bqz n ASP 66 Ca 0.09 0.41 0.07 0.00 -0.50 0.00 0.00 54.79 54.86 1bqz n ASP 66 Cb 0.11 -0.45 0.15 0.00 -1.14 0.00 0.00 41.12 39.78 1bqz n ASP 66 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1bqz n GLN 67 N -2.16 2.19 -3.41 0.11 6.02 0.02 -4.96 117.38 115.19 1bqz n GLN 67 Ca 0.05 -1.90 -0.25 0.00 -0.01 0.00 0.00 57.00 54.90 1bqz n GLN 67 Cb 0.43 -1.31 0.04 0.00 1.02 0.00 0.00 30.24 30.41 1bqz n GLN 67 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 177.06 176.71 1bqz n TYR 68 N 0.77 -2.23 0.00 1.08 4.01 0.21 -3.96 117.16 117.04 1bqz n TYR 68 Ca 0.12 0.71 0.00 0.00 -0.16 0.00 0.00 57.90 58.58 1bqz n TYR 68 Cb 0.43 -4.25 0.00 0.00 -0.31 0.00 0.00 39.34 35.21 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 -1.62 0.67 0.19 2.72 0.00 0.20 -4.48 105.19 102.87 1bqz n GLY 69 Ca -0.03 -2.05 0.02 0.00 0.00 0.00 0.00 46.02 43.96 1bqz n GLY 69 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 1bqz n HIS 70 N 0.67 0.14 0.10 1.61 1.44 -1.26 -3.63 115.22 114.29 1bqz n HIS 70 Ca 0.00 -0.07 -0.15 0.00 -2.01 0.00 0.00 57.72 55.49 1bqz n HIS 70 Cb 0.00 0.00 -0.13 0.00 0.12 0.00 0.00 29.99 29.98 1bqz n HIS 70 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1bqz h ALA 71 N 3.20 0.13 -0.03 1.59 0.00 -1.83 -1.54 119.26 120.79 1bqz h ALA 71 Ca 0.00 -0.89 0.01 0.00 0.00 0.00 0.00 54.91 54.03 1bqz h ALA 71 Cb 0.14 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 17.91 1bqz h ALA 71 CO 0.00 1.01 0.11 0.00 0.00 0.00 0.00 179.25 180.37 1bqz h ALA 72 N 0.64 1.26 0.00 0.00 0.00 -1.68 -1.24 119.26 118.24 1bqz h ALA 72 Ca -0.12 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.79 1bqz h ALA 72 Cb 1.94 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.73 1bqz h ALA 72 CO 0.19 -0.12 0.00 1.19 0.00 0.00 0.00 179.25 180.51 1bqz n PHE 73 N -3.24 0.00 -0.94 0.00 3.01 -1.21 -5.09 117.46 110.00 1bqz n PHE 73 Ca -0.02 -0.37 0.00 0.00 1.01 0.00 0.00 57.45 58.07 1bqz n PHE 73 Cb 0.18 -0.04 0.00 0.00 -0.01 0.00 0.00 39.48 39.61 1bqz n PHE 73 CO 0.00 0.00 0.00 0.39 1.01 0.00 0.00 176.76 178.16 1bqz n GLU 74 N -0.37 0.00 -0.02 -1.08 1.02 -0.47 -4.52 120.64 115.20 1bqz n GLU 74 Ca 0.00 0.00 -0.02 0.00 -0.02 0.00 0.00 57.16 57.12 1bqz n GLU 74 Cb 0.25 0.00 0.02 0.00 -0.02 0.00 0.00 31.44 31.69 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 13.26 -1.56 -3.50 3.49 6.02 -1.26 -4.75 117.38 129.08 1bqz n GLN 75 Ca 0.00 -0.08 -0.15 0.00 -0.01 0.00 0.00 57.00 56.76 1bqz n GLN 75 Cb 0.00 -0.11 -0.05 0.00 1.02 0.00 0.00 30.24 31.10 1bqz n GLN 75 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.06 176.25 1bqz s GLY 76 N -1.77 -0.56 0.00 1.08 0.00 -1.26 -5.10 107.32 99.71 1bqz s GLY 76 Ca 0.04 1.12 0.07 0.00 0.00 0.00 0.00 44.72 45.95 1bqz s GLY 76 CO 0.03 0.71 0.88 0.61 0.00 0.00 0.00 173.10 175.33