#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 -1.34 -1.19 0.00 4.81 -1.26 -4.76 118.16 114.42 1bqz n LYS 2 Ca 0.00 1.51 0.00 0.00 -0.87 0.00 0.00 58.31 58.95 1bqz n LYS 2 Cb 0.00 -5.67 0.00 0.00 0.02 0.00 0.00 35.03 29.38 1bqz n LYS 2 CO 0.00 0.00 0.00 0.94 1.17 0.00 0.00 177.40 179.51 1bqz n GLN 3 N -1.68 -3.29 -3.69 1.64 -0.06 -1.26 -4.95 117.38 104.09 1bqz n GLN 3 Ca 0.01 2.50 -0.29 0.00 -2.00 0.00 0.00 57.00 57.21 1bqz n GLN 3 Cb 0.50 -2.95 -0.15 0.00 -4.06 0.00 0.00 30.24 23.58 1bqz n GLN 3 CO 0.00 0.00 0.00 0.16 -0.20 0.00 0.00 177.06 177.02 1bqz s ASP 4 N -3.86 3.73 0.23 1.69 1.47 -1.26 -5.00 116.67 113.66 1bqz s ASP 4 Ca 0.00 -1.42 -0.13 0.00 1.18 0.00 0.00 52.55 52.18 1bqz s ASP 4 Cb 0.00 -0.70 0.28 0.00 -0.34 0.00 0.00 42.92 42.16 1bqz s ASP 4 CO 0.00 -0.40 1.60 0.10 0.68 0.00 0.00 175.17 177.15 1bqz h TYR 5 N 8.19 -0.50 -0.97 2.11 -0.00 -1.96 2.91 116.97 126.75 1bqz h TYR 5 Ca -0.16 0.07 0.27 0.00 0.00 0.00 0.00 58.73 58.91 1bqz h TYR 5 Cb 1.03 0.33 -0.05 0.00 0.00 0.00 0.00 36.73 38.04 1bqz h TYR 5 CO 0.33 -0.34 0.68 1.88 -0.00 0.00 0.00 178.16 180.71 1bqz h TYR 6 N -0.02 0.18 0.00 0.10 0.05 -1.89 1.30 116.97 116.69 1bqz h TYR 6 Ca 0.34 0.01 -0.21 0.00 0.05 0.00 0.00 58.73 58.92 1bqz h TYR 6 Cb 0.55 -0.05 -0.04 0.00 1.01 0.00 0.00 36.73 38.20 1bqz h TYR 6 CO -0.62 0.03 -1.46 0.93 -1.05 0.00 0.00 178.16 176.00 1bqz h GLU 7 N 0.12 0.00 -0.82 4.88 3.07 0.42 1.03 114.58 123.28 1bqz h GLU 7 Ca 0.48 0.00 0.13 0.00 -0.50 0.00 0.00 59.36 59.47 1bqz h GLU 7 Cb 1.69 0.00 -0.09 0.00 -0.84 0.00 0.00 28.75 29.51 1bqz h GLU 7 CO -0.08 0.40 0.43 0.82 -1.40 0.00 0.00 179.01 179.18 1bqz h ILE 8 N 0.00 0.78 0.00 3.13 2.04 1.35 0.43 117.51 125.24 1bqz h ILE 8 Ca -0.19 -0.22 0.00 0.00 1.00 0.00 0.00 64.86 65.44 1bqz h ILE 8 Cb 1.74 0.07 0.00 0.00 -0.74 0.00 0.00 36.82 37.89 1bqz h ILE 8 CO 0.06 0.12 -0.19 0.18 0.00 0.00 0.00 178.15 178.32 1bqz n LEU 9 N -4.85 0.80 0.00 1.44 4.32 -0.64 -4.82 117.00 113.24 1bqz n LEU 9 Ca 0.15 0.47 0.00 0.00 -0.02 0.00 0.00 56.01 56.62 1bqz n LEU 9 Cb 0.38 -0.27 0.00 0.00 -1.62 0.00 0.00 43.42 41.90 1bqz n LEU 9 CO 0.23 -0.15 0.00 0.61 -1.22 0.00 0.00 177.39 176.86 1bqz n GLY 10 N 1.31 0.98 3.87 -0.72 0.00 0.15 -2.81 105.19 107.97 1bqz n GLY 10 Ca 0.05 -0.04 -0.22 0.00 0.00 0.00 0.00 46.02 45.81 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 2.48 0.33 1.61 -7.23 0.35 -4.91 120.40 111.03 1bqz s VAL 11 Ca 0.00 -1.39 -0.12 0.00 -1.81 0.00 0.00 61.98 58.66 1bqz s VAL 11 Cb 0.00 -2.87 -0.07 0.00 0.56 0.00 0.00 36.38 34.00 1bqz s VAL 11 CO 0.00 0.00 0.69 -0.44 -0.31 0.00 0.00 175.10 175.04 1bqz s SER 12 N -4.14 6.63 0.40 4.85 0.01 -1.25 -2.95 113.70 117.25 1bqz s SER 12 Ca 0.46 1.11 0.19 0.00 1.31 0.00 0.00 55.95 59.02 1bqz s SER 12 Cb -0.02 -2.31 1.04 0.00 0.21 0.00 0.00 66.02 64.94 1bqz s SER 12 CO 0.27 -0.24 1.53 0.07 0.41 0.00 0.00 173.24 175.28 1bqz h LYS 13 N 1.93 0.00 -0.73 12.44 5.09 -1.97 2.23 116.57 135.56 1bqz h LYS 13 Ca -0.47 0.00 0.00 0.00 0.09 0.00 0.00 60.65 60.27 1bqz h LYS 13 Cb 1.18 0.00 0.00 0.00 0.10 0.00 0.00 32.23 33.51 1bqz h LYS 13 CO 0.66 0.00 0.00 0.25 -2.09 0.00 0.00 179.45 178.27 1bqz n THR 14 N -2.29 0.97 0.00 0.07 -2.24 -1.26 -4.82 114.28 104.71 1bqz n THR 14 Ca -0.01 -0.98 0.00 0.00 -2.27 0.00 0.00 64.05 60.79 1bqz n THR 14 Cb 0.26 0.51 0.00 0.00 -2.10 0.00 0.00 70.33 69.00 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 1.66 0.00 -3.64 6.98 0.00 0.75 -5.06 120.51 121.20 1bqz n ALA 15 Ca 0.24 0.00 -0.07 0.00 0.00 0.00 0.00 53.44 53.62 1bqz n ALA 15 Cb 0.62 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 20.00 1bqz n ALA 15 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1bqz s GLU 16 N 0.00 0.59 0.52 0.00 0.41 -1.26 -4.99 118.70 113.97 1bqz s GLU 16 Ca 0.00 0.91 0.31 0.00 -0.41 0.00 0.00 54.97 55.78 1bqz s GLU 16 Cb 0.00 0.17 1.05 0.00 -1.78 0.00 0.00 34.13 33.57 1bqz s GLU 16 CO 0.00 -0.11 1.22 -0.85 -0.49 0.00 0.00 175.26 175.03 1bqz n GLU 17 N 3.55 0.01 0.06 1.61 0.28 -1.26 0.21 120.64 125.10 1bqz n GLU 17 Ca -0.17 0.92 -0.09 0.00 -0.16 0.00 0.00 57.16 57.65 1bqz n GLU 17 Cb 0.57 -2.22 -0.13 0.00 1.43 0.00 0.00 31.44 31.10 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 0.05 0.00 3.44 0.11 -1.97 -1.40 114.38 114.61 1bqz h ARG 18 Ca 0.57 -0.08 0.00 0.00 0.10 0.00 0.00 59.98 60.57 1bqz h ARG 18 Cb 2.84 0.03 0.00 0.00 1.11 0.00 0.00 29.97 33.95 1bqz h ARG 18 CO -0.01 1.00 -1.52 -0.85 0.10 0.00 0.00 179.97 178.68 1bqz n GLU 19 N -3.36 0.46 0.10 0.08 0.28 0.56 -3.26 120.64 115.50 1bqz n GLU 19 Ca -0.03 -0.09 -0.10 0.00 -0.16 0.00 0.00 57.16 56.78 1bqz n GLU 19 Cb 0.96 -1.56 -0.06 0.00 1.43 0.00 0.00 31.44 32.21 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 0.56 -0.46 3.84 1.08 0.18 1.61 117.51 124.31 1bqz h ILE 20 Ca 0.00 -0.94 0.13 0.00 -0.39 0.00 0.00 64.86 63.66 1bqz h ILE 20 Cb 0.86 0.94 -0.02 0.00 -3.07 0.00 0.00 36.82 35.53 1bqz h ILE 20 CO 0.00 0.14 0.42 0.08 -0.69 0.00 0.00 178.15 178.11 1bqz h ARG 21 N -0.95 0.00 0.03 2.37 -0.00 -1.42 0.15 114.38 114.57 1bqz h ARG 21 Ca -0.03 0.00 -0.10 0.00 -0.00 0.00 0.00 59.98 59.84 1bqz h ARG 21 Cb 0.48 0.00 0.01 0.00 -0.00 0.00 0.00 29.97 30.46 1bqz h ARG 21 CO 0.05 0.00 -0.42 -0.22 -0.00 0.00 0.00 179.97 179.38 1bqz h LYS 22 N 0.00 0.23 -0.96 0.08 3.11 -1.41 -1.36 116.57 116.27 1bqz h LYS 22 Ca 0.22 -0.29 0.18 0.00 -2.81 0.00 0.00 60.65 57.95 1bqz h LYS 22 Cb 1.07 0.09 -0.10 0.00 -1.00 0.00 0.00 32.23 32.28 1bqz h LYS 22 CO -0.00 1.04 0.55 0.00 -2.81 0.00 0.00 179.45 178.23 1bqz h ALA 23 N 0.20 1.55 -0.05 5.00 0.00 0.52 0.98 119.26 127.45 1bqz h ALA 23 Ca -0.06 0.09 -0.13 0.00 0.00 0.00 0.00 54.91 54.80 1bqz h ALA 23 Cb 1.22 -0.05 0.01 0.00 0.00 0.00 0.00 17.79 18.97 1bqz h ALA 23 CO 0.08 -0.08 -0.49 -0.92 0.00 0.00 0.00 179.25 177.84 1bqz h TYR 24 N 0.70 0.60 -0.82 0.00 3.20 -1.25 -3.12 116.97 116.28 1bqz h TYR 24 Ca 0.55 -0.29 0.15 0.00 3.14 0.00 0.00 58.73 62.28 1bqz h TYR 24 Cb 0.85 -0.08 -0.10 0.00 1.54 0.00 0.00 36.73 38.94 1bqz h TYR 24 CO -0.04 1.07 0.38 0.87 -1.64 0.00 0.00 178.16 178.81 1bqz h LYS 25 N -0.05 0.52 0.23 1.82 1.57 0.47 2.45 116.57 123.59 1bqz h LYS 25 Ca -0.05 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.71 1bqz h LYS 25 Cb 1.17 -0.12 -0.02 0.00 0.08 0.00 0.00 32.23 33.34 1bqz h LYS 25 CO 0.10 0.35 -0.23 0.00 -0.57 0.00 0.00 179.45 179.09 1bqz h ARG 26 N 0.54 -0.48 0.01 3.15 3.08 0.89 2.03 114.38 123.59 1bqz h ARG 26 Ca 0.45 0.03 -0.21 0.00 0.07 0.00 0.00 59.98 60.33 1bqz h ARG 26 Cb 0.68 0.11 -0.03 0.00 0.08 0.00 0.00 29.97 30.81 1bqz h ARG 26 CO -0.39 -0.32 -0.99 1.37 -1.07 0.00 0.00 179.97 178.57 1bqz h LEU 27 N -0.50 0.02 -0.04 3.04 8.10 -1.34 -3.02 115.31 121.58 1bqz h LEU 27 Ca -0.00 -0.02 -0.16 0.00 0.11 0.00 0.00 57.88 57.80 1bqz h LEU 27 Cb 0.46 -0.01 0.01 0.00 -0.44 0.00 0.00 40.66 40.69 1bqz h LEU 27 CO -0.06 1.00 -0.62 0.00 -4.11 0.00 0.00 178.44 174.66 1bqz h ALA 28 N 1.00 0.13 0.00 0.17 0.00 0.44 0.72 119.26 121.71 1bqz h ALA 28 Ca -0.02 -0.56 -0.01 0.00 0.00 0.00 0.00 54.91 54.32 1bqz h ALA 28 Cb 1.75 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 19.55 1bqz h ALA 28 CO 0.13 0.40 -0.06 0.00 0.00 0.00 0.00 179.25 179.73 1bqz h MET 29 N 0.04 0.00 0.00 0.00 -0.00 0.32 0.82 114.93 116.11 1bqz h MET 29 Ca -0.07 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.63 1bqz h MET 29 Cb 1.30 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.90 1bqz h MET 29 CO 0.12 0.06 -0.80 0.87 -0.00 0.00 0.00 176.91 177.17 1bqz h LYS 30 N 0.00 0.00 -0.42 -0.10 1.57 -1.36 -3.31 116.57 112.95 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 0.13 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.44 1bqz h LYS 30 CO 0.01 0.00 0.00 0.66 -0.57 0.00 0.00 179.45 179.55 1bqz n TYR 31 N -2.54 0.55 0.00 -1.35 4.02 0.25 -4.76 117.16 113.33 1bqz n TYR 31 Ca 0.01 -0.38 0.00 0.00 -0.01 0.00 0.00 57.90 57.53 1bqz n TYR 31 Cb 0.51 -0.01 0.00 0.00 -0.02 0.00 0.00 39.34 39.82 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 1.08 -0.15 -0.34 -0.72 1.44 0.25 -3.29 115.22 113.49 1bqz n HIS 32 Ca 0.16 0.00 -0.07 0.00 -2.01 0.00 0.00 57.72 55.80 1bqz n HIS 32 Cb 0.51 0.00 -0.03 0.00 0.12 0.00 0.00 29.99 30.59 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 0.83 -0.05 -1.40 -0.04 -1.26 -3.20 135.00 129.88 1bqz n PRO 33 Ca 0.00 -0.64 -0.08 0.00 -0.04 0.00 0.00 63.50 62.74 1bqz n PRO 33 Cb 0.00 -1.94 -0.04 0.00 -0.04 0.00 0.00 33.50 31.49 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 3.71 2.22 0.00 3.54 2.03 -1.26 -4.91 116.55 121.87 1bqz n ASP 34 Ca 0.18 0.02 0.00 0.00 0.52 0.00 0.00 54.79 55.51 1bqz n ASP 34 Cb 0.17 -0.20 0.00 0.00 -0.72 0.00 0.00 41.12 40.37 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 -3.03 0.76 -0.30 -0.67 -4.01 -1.19 -4.82 116.66 103.39 1bqz n ARG 35 Ca -0.17 0.00 0.34 0.00 -1.04 0.00 0.00 57.85 56.98 1bqz n ARG 35 Cb 0.65 -0.46 0.61 0.00 -3.04 0.00 0.00 32.46 30.23 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 -0.33 2.89 2.35 -1.56 0.60 115.58 119.53 1bqz h ASN 36 Ca 0.00 0.00 0.10 0.00 -0.55 0.00 0.00 56.30 55.85 1bqz h ASN 36 Cb 0.00 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.36 1bqz h ASN 36 CO 0.00 0.00 0.67 1.56 -1.65 0.00 0.00 177.43 178.01 1bqz h GLN 37 N 0.00 0.00 -0.76 0.81 4.20 -1.88 1.18 115.11 118.66 1bqz h GLN 37 Ca 0.57 0.00 -0.43 0.00 0.06 0.00 0.00 58.65 58.84 1bqz h GLN 37 Cb 2.79 0.00 -0.25 0.00 0.30 0.00 0.00 27.48 30.33 1bqz h GLN 37 CO -0.01 0.00 0.34 0.41 -0.67 0.00 0.00 178.83 178.91 1bqz n GLY 38 N -1.45 4.99 2.73 3.46 0.00 0.21 -4.84 105.19 110.29 1bqz n GLY 38 Ca 0.06 -1.44 -0.15 0.00 0.00 0.00 0.00 46.02 44.50 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 -1.08 3.29 -1.25 1.61 5.75 0.41 -4.49 116.55 120.80 1bqz n ASP 39 Ca 0.50 -2.21 -0.02 0.00 -0.01 0.00 0.00 54.79 53.05 1bqz n ASP 39 Cb 1.25 -0.89 0.13 0.00 -1.03 0.00 0.00 41.12 40.58 1bqz n ASP 39 CO 0.00 0.00 0.00 1.17 -0.11 0.00 0.00 177.20 178.26 1bqz n LYS 40 N 4.43 2.18 0.00 0.11 4.81 -1.26 -4.19 118.16 124.24 1bqz n LYS 40 Ca 0.30 -1.27 0.00 0.00 -0.87 0.00 0.00 58.31 56.46 1bqz n LYS 40 Cb 0.09 -1.69 0.00 0.00 0.02 0.00 0.00 35.03 33.46 1bqz n LYS 40 CO 0.00 0.00 0.00 -0.85 1.17 0.00 0.00 177.40 177.72 1bqz n GLU 41 N 0.09 0.00 0.27 1.64 0.28 -1.26 -4.90 120.64 116.75 1bqz n GLU 41 Ca 0.17 0.00 0.16 0.00 -0.16 0.00 0.00 57.16 57.33 1bqz n GLU 41 Cb 0.78 0.00 0.86 0.00 1.43 0.00 0.00 31.44 34.51 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 1.09 -0.98 -1.84 0.00 -1.87 -2.58 119.26 113.08 1bqz h ALA 42 Ca 0.00 0.00 0.26 0.00 0.00 0.00 0.00 54.91 55.17 1bqz h ALA 42 Cb 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 17.79 17.61 1bqz h ALA 42 CO 0.00 -0.09 0.00 -1.91 0.00 0.00 0.00 179.25 177.25 1bqz n GLU 43 N -2.68 -0.08 0.45 0.00 2.13 -1.26 -1.22 120.64 117.99 1bqz n GLU 43 Ca -0.02 1.47 -0.19 0.00 0.66 0.00 0.00 57.16 59.08 1bqz n GLU 43 Cb 0.15 -2.32 -0.09 0.00 0.27 0.00 0.00 31.44 29.45 1bqz n GLU 43 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1bqz h ALA 44 N 1.95 -1.30 -1.57 4.31 0.00 -1.80 -1.49 119.26 119.36 1bqz h ALA 44 Ca 0.58 -0.26 0.45 0.00 0.00 0.00 0.00 54.91 55.69 1bqz h ALA 44 Cb 1.18 0.52 -0.06 0.00 0.00 0.00 0.00 17.79 19.43 1bqz h ALA 44 CO -0.92 -1.23 1.18 -0.22 0.00 0.00 0.00 179.25 178.06 1bqz h LYS 45 N -1.20 0.00 -0.00 0.00 3.64 -1.38 2.53 116.57 120.16 1bqz h LYS 45 Ca -0.12 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.26 1bqz h LYS 45 Cb 0.93 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.75 1bqz h LYS 45 CO 0.16 0.00 -0.00 0.74 -2.27 0.00 0.00 179.45 178.08 1bqz h PHE 46 N 0.00 0.00 0.00 1.91 0.04 -0.95 -2.86 116.94 115.08 1bqz h PHE 46 Ca 0.74 -0.00 0.00 0.00 2.80 0.00 0.00 57.97 61.51 1bqz h PHE 46 Cb 3.10 -0.00 0.00 0.00 2.20 0.00 0.00 35.95 41.25 1bqz h PHE 46 CO 0.00 0.53 -0.52 0.36 -0.60 0.00 0.00 178.31 178.07 1bqz n LYS 47 N -4.83 0.25 0.01 1.51 0.00 0.16 -3.31 118.16 111.94 1bqz n LYS 47 Ca -0.09 0.09 0.02 0.00 -0.00 0.00 0.00 58.31 58.33 1bqz n LYS 47 Cb 0.27 -1.67 0.36 0.00 -0.00 0.00 0.00 35.03 33.99 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 0.51 0.25 -1.58 4.39 0.41 -1.50 114.58 117.06 1bqz h GLU 48 Ca 0.00 -0.07 -0.01 0.00 0.34 0.00 0.00 59.36 59.62 1bqz h GLU 48 Cb 0.71 -0.09 0.00 0.00 -0.10 0.00 0.00 28.75 29.27 1bqz h GLU 48 CO 0.00 0.45 -0.12 0.82 -1.16 0.00 0.00 179.01 179.00 1bqz h ILE 49 N 0.50 0.78 -0.95 3.13 2.04 -1.50 -2.39 117.51 119.14 1bqz h ILE 49 Ca 0.12 -0.23 0.23 0.00 1.00 0.00 0.00 64.86 65.98 1bqz h ILE 49 Cb 0.15 0.92 -0.12 0.00 -0.74 0.00 0.00 36.82 37.03 1bqz h ILE 49 CO -0.01 0.05 0.50 0.50 0.00 0.00 0.00 178.15 179.19 1bqz h LYS 50 N -0.46 0.48 -1.09 2.37 3.64 -1.41 0.75 116.57 120.86 1bqz h LYS 50 Ca -0.03 -0.03 0.30 0.00 -1.27 0.00 0.00 60.65 59.61 1bqz h LYS 50 Cb 0.35 -0.11 -0.09 0.00 -0.41 0.00 0.00 32.23 31.97 1bqz h LYS 50 CO 0.06 0.32 0.72 1.49 -2.27 0.00 0.00 179.45 179.77 1bqz h GLU 51 N 0.50 0.27 -1.29 1.90 4.81 -0.84 -0.92 114.58 119.01 1bqz h GLU 51 Ca 0.60 -0.02 0.40 0.00 -0.13 0.00 0.00 59.36 60.22 1bqz h GLU 51 Cb 1.14 -0.06 -0.08 0.00 0.63 0.00 0.00 28.75 30.38 1bqz h GLU 51 CO -0.50 0.18 0.89 0.00 -0.73 0.00 0.00 179.01 178.85 1bqz n ALA 52 N -2.54 1.26 0.19 2.92 0.00 0.26 0.31 120.51 122.91 1bqz n ALA 52 Ca 0.26 0.59 0.11 0.00 0.00 0.00 0.00 53.44 54.40 1bqz n ALA 52 Cb 1.01 -0.85 0.58 0.00 0.00 0.00 0.00 19.45 20.19 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 -0.10 0.00 0.05 -1.36 1.20 116.97 116.76 1bqz h TYR 53 Ca 0.70 0.00 0.00 0.00 0.05 0.00 0.00 58.73 59.48 1bqz h TYR 53 Cb 2.55 0.00 0.00 0.00 1.01 0.00 0.00 36.73 40.29 1bqz h TYR 53 CO -0.00 0.00 0.00 -0.85 -1.05 0.00 0.00 178.16 176.26 1bqz n GLU 54 N -2.31 1.34 0.00 4.88 -0.00 0.91 -3.02 120.64 122.44 1bqz n GLU 54 Ca -0.01 -0.40 0.00 0.00 -0.00 0.00 0.00 57.16 56.75 1bqz n GLU 54 Cb 0.17 -1.25 0.00 0.00 -0.00 0.00 0.00 31.44 30.36 1bqz n GLU 54 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.13 178.68 1bqz n VAL 55 N -0.10 0.00 0.43 3.84 3.14 0.40 -4.82 118.33 121.21 1bqz n VAL 55 Ca 0.04 0.00 0.12 0.00 -2.96 0.00 0.00 64.34 61.53 1bqz n VAL 55 Cb 0.18 -0.32 0.10 0.00 -1.06 0.00 0.00 33.84 32.75 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 0.00 0.00 -3.79 6.55 8.10 -1.30 0.80 115.31 125.67 1bqz h LEU 56 Ca 0.00 -0.18 -0.40 0.00 0.11 0.00 0.00 57.88 57.41 1bqz h LEU 56 Cb 0.00 0.00 -0.24 0.00 -0.44 0.00 0.00 40.66 39.98 1bqz h LEU 56 CO 0.00 0.09 0.42 0.35 -4.11 0.00 0.00 178.44 175.18 1bqz n THR 57 N -2.26 3.00 -3.66 0.15 -2.24 -1.17 -4.49 114.28 103.61 1bqz n THR 57 Ca 0.02 -2.16 -0.09 0.00 -2.27 0.00 0.00 64.05 59.54 1bqz n THR 57 Cb 0.47 -0.42 -0.10 0.00 -2.10 0.00 0.00 70.33 68.18 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 -1.67 -0.18 0.30 3.42 1.11 -1.26 -4.99 116.67 113.40 1bqz s ASP 58 Ca 0.53 0.93 -0.00 0.00 0.18 0.00 0.00 52.55 54.18 1bqz s ASP 58 Cb 0.46 1.22 0.69 0.00 1.07 0.00 0.00 42.92 46.35 1bqz s ASP 58 CO 0.08 -0.23 1.57 -1.28 1.18 0.00 0.00 175.17 176.49 1bqz h SER 59 N 8.13 -0.58 0.21 0.27 0.87 -1.90 2.04 113.55 122.59 1bqz h SER 59 Ca -0.17 0.28 -0.10 0.00 -1.23 0.00 0.00 61.79 60.58 1bqz h SER 59 Cb 1.11 0.51 -0.01 0.00 -0.44 0.00 0.00 62.40 63.58 1bqz h SER 59 CO 0.13 -0.35 -0.36 0.06 -0.53 0.00 0.00 176.83 175.78 1bqz h GLN 60 N 0.01 0.23 0.01 2.24 3.07 -1.95 0.33 115.11 119.04 1bqz h GLN 60 Ca 0.57 -0.10 -0.02 0.00 0.09 0.00 0.00 58.65 59.20 1bqz h GLN 60 Cb 1.12 -0.01 0.00 0.00 0.08 0.00 0.00 27.48 28.67 1bqz h GLN 60 CO -0.94 0.56 -0.08 0.87 0.09 0.00 0.00 178.83 179.33 1bqz h LYS 61 N 0.19 0.04 0.00 0.06 6.56 0.23 -1.01 116.57 122.65 1bqz h LYS 61 Ca 0.02 -0.05 0.00 0.00 -1.06 0.00 0.00 60.65 59.56 1bqz h LYS 61 Cb 0.73 0.02 0.00 0.00 -0.57 0.00 0.00 32.23 32.41 1bqz h LYS 61 CO 0.06 0.91 0.00 2.89 -2.06 0.00 0.00 179.45 181.25 1bqz n ARG 62 N -4.61 0.00 0.01 3.15 1.85 0.49 -1.33 116.66 116.22 1bqz n ARG 62 Ca -0.10 0.21 -0.11 0.00 -1.00 0.00 0.00 57.85 56.85 1bqz n ARG 62 Cb 0.46 -1.50 -0.14 0.00 -1.05 0.00 0.00 32.46 30.23 1bqz n ARG 62 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1bqz h ALA 63 N 2.58 0.58 -0.16 2.89 0.00 -0.25 -3.20 119.26 121.70 1bqz h ALA 63 Ca 0.00 -1.31 -0.12 0.00 0.00 0.00 0.00 54.91 53.48 1bqz h ALA 63 Cb 0.29 0.37 -0.01 0.00 0.00 0.00 0.00 17.79 18.43 1bqz h ALA 63 CO 0.00 1.43 -0.41 0.00 0.00 0.00 0.00 179.25 180.26 1bqz h ALA 64 N 0.82 0.99 -0.35 0.00 0.00 -0.01 -2.88 119.26 117.82 1bqz h ALA 64 Ca -0.25 -0.43 0.06 0.00 0.00 0.00 0.00 54.91 54.29 1bqz h ALA 64 Cb 1.98 -0.10 -0.08 0.00 0.00 0.00 0.00 17.79 19.58 1bqz h ALA 64 CO 0.10 0.62 -0.47 -0.92 0.00 0.00 0.00 179.25 178.58 1bqz h TYR 65 N 0.32 -1.40 -0.28 0.00 3.20 -1.20 0.77 116.97 118.37 1bqz h TYR 65 Ca 0.03 0.07 0.08 0.00 3.14 0.00 0.00 58.73 62.05 1bqz h TYR 65 Cb 0.86 0.66 -0.01 0.00 1.54 0.00 0.00 36.73 39.78 1bqz h TYR 65 CO 0.02 -0.47 0.78 0.38 -1.64 0.00 0.00 178.16 177.23 1bqz h ASP 66 N -0.39 0.00 -0.03 -2.11 2.03 -1.55 2.33 116.42 116.70 1bqz h ASP 66 Ca 0.10 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.40 1bqz h ASP 66 Cb 0.60 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.10 1bqz h ASP 66 CO -0.55 0.00 0.00 0.00 -1.03 0.00 0.00 179.24 177.66 1bqz n GLN 67 N -2.95 2.11 -2.10 4.15 6.02 0.26 -4.93 117.38 119.94 1bqz n GLN 67 Ca 0.05 -1.61 -0.17 0.00 -0.01 0.00 0.00 57.00 55.27 1bqz n GLN 67 Cb 0.88 -1.47 -0.03 0.00 1.02 0.00 0.00 30.24 30.65 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 0.95 -0.85 0.00 1.08 4.02 0.79 -4.35 117.16 118.80 1bqz n TYR 68 Ca 0.16 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 58.05 1bqz n TYR 68 Cb 0.52 -3.29 0.00 0.00 -0.02 0.00 0.00 39.34 36.55 1bqz n TYR 68 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1bqz n GLY 69 N -0.71 1.15 0.35 2.72 0.00 -1.23 -4.57 105.19 102.89 1bqz n GLY 69 Ca -0.19 -1.55 0.15 0.00 0.00 0.00 0.00 46.02 44.42 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 -0.89 1.61 2.07 -1.89 -1.58 115.15 114.48 1bqz h HIS 70 Ca 0.00 0.00 0.24 0.00 -2.85 0.00 0.00 60.37 57.76 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 0.30 0.00 -3.07 0.00 0.00 177.93 175.16 1bqz h ALA 71 N 1.22 1.37 0.00 6.11 0.00 -1.81 1.90 119.26 128.04 1bqz h ALA 71 Ca 0.03 0.21 0.00 0.00 0.00 0.00 0.00 54.91 55.15 1bqz h ALA 71 Cb 0.87 0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.93 1bqz h ALA 71 CO -0.00 -0.45 0.19 0.00 0.00 0.00 0.00 179.25 179.00 1bqz h ALA 72 N 1.77 1.17 0.00 0.00 0.00 -1.48 -1.77 119.26 118.94 1bqz h ALA 72 Ca 0.57 0.00 -0.33 0.00 0.00 0.00 0.00 54.91 55.14 1bqz h ALA 72 Cb 1.14 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 18.87 1bqz h ALA 72 CO -0.62 -0.17 -2.26 1.19 0.00 0.00 0.00 179.25 177.39 1bqz n PHE 73 N -2.59 0.00 -3.35 0.00 3.01 0.63 -4.94 117.46 110.21 1bqz n PHE 73 Ca -0.02 0.00 -0.11 0.00 1.01 0.00 0.00 57.45 58.33 1bqz n PHE 73 Cb 0.24 -0.86 -0.08 0.00 -0.01 0.00 0.00 39.48 38.77 1bqz n PHE 73 CO 0.00 0.00 0.00 -1.21 1.01 0.00 0.00 176.76 176.56 1bqz s GLU 74 N -2.44 0.35 0.33 -1.08 2.02 -0.10 -5.15 118.70 112.63 1bqz s GLU 74 Ca -0.27 0.32 0.07 0.00 0.02 0.00 0.00 54.97 55.11 1bqz s GLU 74 Cb 0.07 -0.51 -0.01 0.00 0.10 0.00 0.00 34.13 33.78 1bqz s GLU 74 CO 0.55 -0.80 0.42 -0.65 0.02 0.00 0.00 175.26 174.81 1bqz s GLN 75 N 2.51 3.06 0.00 1.61 -0.21 -1.19 -4.25 119.66 121.18 1bqz s GLN 75 Ca 0.11 -1.05 0.07 0.00 0.02 0.00 0.00 55.36 54.51 1bqz s GLN 75 Cb -0.14 -2.75 0.05 0.00 1.00 0.00 0.00 33.01 31.16 1bqz s GLN 75 CO -0.22 0.10 0.70 0.41 -2.12 0.00 0.00 175.29 174.16 1bqz n GLY 76 N -1.57 -0.71 0.00 3.09 0.00 -1.26 -5.13 105.19 99.62 1bqz n GLY 76 Ca -0.01 -0.20 0.00 0.00 0.00 0.00 0.00 46.02 45.81 1bqz n GLY 76 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93