#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 2.92 -0.50 0.00 2.36 -1.26 -5.02 119.74 118.24 1bqz s LYS 2 Ca 0.00 -2.16 -0.30 0.00 -2.55 0.00 0.00 55.97 50.97 1bqz s LYS 2 Cb 0.00 -4.09 -0.10 0.00 -1.05 0.00 0.00 37.83 32.59 1bqz s LYS 2 CO 0.00 -1.24 2.38 0.94 1.55 0.00 0.00 175.35 178.98 1bqz n GLN 3 N 4.33 1.00 -2.71 4.03 7.27 -1.26 -4.90 117.38 125.14 1bqz n GLN 3 Ca 0.02 0.15 -0.38 0.00 0.07 0.00 0.00 57.00 56.86 1bqz n GLN 3 Cb 0.42 -2.83 -0.06 0.00 2.41 0.00 0.00 30.24 30.18 1bqz n GLN 3 CO 0.00 0.00 0.00 0.16 0.07 0.00 0.00 177.06 177.29 1bqz s ASP 4 N 9.89 7.30 0.10 1.69 -4.77 -1.26 -4.41 116.67 125.21 1bqz s ASP 4 Ca 1.08 1.93 -0.15 0.00 -3.30 0.00 0.00 52.55 52.11 1bqz s ASP 4 Cb -0.56 -2.59 0.01 0.00 -1.09 0.00 0.00 42.92 38.69 1bqz s ASP 4 CO 0.37 -0.10 0.84 0.00 0.70 0.00 0.00 175.17 176.98 1bqz n TYR 5 N 0.68 -0.16 0.12 2.11 0.18 -1.26 0.55 117.16 119.38 1bqz n TYR 5 Ca 0.01 0.68 0.18 0.00 1.88 0.00 0.00 57.90 60.65 1bqz n TYR 5 Cb 0.49 -0.59 0.74 0.00 -0.38 0.00 0.00 39.34 39.60 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 0.00 0.00 -3.48 0.05 -1.88 0.92 116.97 112.58 1bqz h TYR 6 Ca 0.12 0.00 -0.17 0.00 0.05 0.00 0.00 58.73 58.73 1bqz h TYR 6 Cb 0.25 0.00 -0.03 0.00 1.01 0.00 0.00 36.73 37.96 1bqz h TYR 6 CO -0.53 0.00 -1.37 1.49 -1.05 0.00 0.00 178.16 176.70 1bqz h GLU 7 N 0.00 0.00 -0.52 4.88 4.81 1.39 0.55 114.58 125.69 1bqz h GLU 7 Ca 0.15 0.00 0.03 0.00 -0.13 0.00 0.00 59.36 59.41 1bqz h GLU 7 Cb 0.70 0.00 -0.04 0.00 0.63 0.00 0.00 28.75 30.04 1bqz h GLU 7 CO -0.00 0.31 0.30 0.82 -0.73 0.00 0.00 179.01 179.71 1bqz h ILE 8 N 0.00 1.03 -0.09 2.32 1.08 1.32 0.78 117.51 123.96 1bqz h ILE 8 Ca -0.16 -0.20 0.00 0.00 -0.39 0.00 0.00 64.86 64.11 1bqz h ILE 8 Cb 1.58 0.39 0.00 0.00 -3.07 0.00 0.00 36.82 35.72 1bqz h ILE 8 CO 0.05 0.11 0.00 0.18 -0.69 0.00 0.00 178.15 177.80 1bqz n LEU 9 N -4.81 0.82 -0.30 1.44 4.77 -0.40 -4.86 117.00 113.65 1bqz n LEU 9 Ca 0.04 -0.35 -0.04 0.00 -0.03 0.00 0.00 56.01 55.63 1bqz n LEU 9 Cb 0.09 -0.06 -0.02 0.00 -2.33 0.00 0.00 43.42 41.11 1bqz n LEU 9 CO 0.32 0.17 -0.04 0.61 -1.33 0.00 0.00 177.39 177.12 1bqz n GLY 10 N 0.94 0.68 3.96 -0.72 0.00 0.27 -4.57 105.19 105.75 1bqz n GLY 10 Ca 0.14 -0.77 -0.23 0.00 0.00 0.00 0.00 46.02 45.16 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 -2.12 1.86 0.30 1.61 1.01 0.19 -4.95 120.40 118.29 1bqz s VAL 11 Ca 0.00 -1.29 -0.12 0.00 0.00 0.00 0.00 61.98 60.58 1bqz s VAL 11 Cb 0.00 -2.14 -0.08 0.00 0.00 0.00 0.00 36.38 34.16 1bqz s VAL 11 CO 0.00 0.00 0.66 -0.44 0.00 0.00 0.00 175.10 175.32 1bqz s SER 12 N -4.44 6.66 0.64 3.32 0.01 -1.25 -3.58 113.70 115.06 1bqz s SER 12 Ca 0.46 1.08 0.28 0.00 1.31 0.00 0.00 55.95 59.07 1bqz s SER 12 Cb -0.04 -2.29 1.50 0.00 0.21 0.00 0.00 66.02 65.40 1bqz s SER 12 CO 0.29 -0.18 1.84 0.07 0.41 0.00 0.00 173.24 175.66 1bqz h LYS 13 N 2.17 0.00 -0.74 12.44 -0.00 -1.91 2.29 116.57 130.82 1bqz h LYS 13 Ca -0.47 0.00 0.00 0.00 -0.00 0.00 0.00 60.65 60.18 1bqz h LYS 13 Cb 1.18 0.00 0.00 0.00 -0.00 0.00 0.00 32.23 33.41 1bqz h LYS 13 CO 0.67 0.00 0.00 0.25 -0.00 0.00 0.00 179.45 180.37 1bqz n THR 14 N -2.80 1.04 0.00 0.07 -2.24 -1.26 -4.35 114.28 104.74 1bqz n THR 14 Ca -0.02 -1.01 0.00 0.00 -2.27 0.00 0.00 64.05 60.75 1bqz n THR 14 Cb 0.40 0.48 0.00 0.00 -2.10 0.00 0.00 70.33 69.11 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 1.64 0.00 -3.65 6.98 0.00 0.77 -5.06 120.51 121.20 1bqz n ALA 15 Ca 0.25 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.69 1bqz n ALA 15 Cb 0.64 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 20.03 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 0.15 0.45 0.00 2.02 -1.26 -4.99 118.70 115.06 1bqz s GLU 16 Ca 0.00 0.24 0.40 0.00 0.02 0.00 0.00 54.97 55.63 1bqz s GLU 16 Cb 0.00 0.04 1.41 0.00 0.10 0.00 0.00 34.13 35.67 1bqz s GLU 16 CO 0.00 -0.03 1.28 -0.85 0.02 0.00 0.00 175.26 175.68 1bqz n GLU 17 N 3.07 -0.00 -0.15 1.61 0.28 -1.26 -0.28 120.64 123.90 1bqz n GLU 17 Ca -0.17 0.90 -0.08 0.00 -0.16 0.00 0.00 57.16 57.66 1bqz n GLU 17 Cb 0.57 -2.05 0.01 0.00 1.43 0.00 0.00 31.44 31.40 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 0.62 0.00 3.44 0.11 -1.96 1.52 114.38 118.11 1bqz h ARG 18 Ca 0.77 -0.05 0.00 0.00 0.10 0.00 0.00 59.98 60.80 1bqz h ARG 18 Cb 3.04 -0.14 0.00 0.00 1.11 0.00 0.00 29.97 33.98 1bqz h ARG 18 CO -0.04 0.43 -0.78 -0.85 0.10 0.00 0.00 179.97 178.83 1bqz n GLU 19 N -4.74 0.26 -0.07 0.08 0.28 0.62 -2.74 120.64 114.32 1bqz n GLU 19 Ca 0.02 0.04 -0.15 0.00 -0.16 0.00 0.00 57.16 56.91 1bqz n GLU 19 Cb 0.04 -1.63 -0.13 0.00 1.43 0.00 0.00 31.44 31.15 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 1.66 -0.48 3.84 5.03 -0.75 1.53 117.51 128.33 1bqz h ILE 20 Ca 0.00 -2.30 0.08 0.00 -0.12 0.00 0.00 64.86 62.52 1bqz h ILE 20 Cb 0.71 3.18 -0.03 0.00 -3.03 0.00 0.00 36.82 37.66 1bqz h ILE 20 CO 0.00 0.56 0.33 0.08 -0.68 0.00 0.00 178.15 178.44 1bqz h ARG 21 N -1.00 0.31 0.01 2.37 -0.00 0.20 -1.31 114.38 114.95 1bqz h ARG 21 Ca -0.04 -0.02 -0.04 0.00 -0.00 0.00 0.00 59.98 59.88 1bqz h ARG 21 Cb 1.01 -0.07 0.00 0.00 -0.00 0.00 0.00 29.97 30.91 1bqz h ARG 21 CO -0.02 0.20 -0.18 -0.22 -0.00 0.00 0.00 179.97 179.75 1bqz h LYS 22 N 0.31 0.11 -0.77 0.08 3.11 -1.46 -2.15 116.57 115.79 1bqz h LYS 22 Ca 0.22 -0.13 0.17 0.00 -2.81 0.00 0.00 60.65 58.10 1bqz h LYS 22 Cb 0.46 0.04 -0.14 0.00 -1.00 0.00 0.00 32.23 31.59 1bqz h LYS 22 CO -0.05 0.93 -0.04 0.00 -2.81 0.00 0.00 179.45 177.48 1bqz h ALA 23 N 0.18 0.73 -0.24 5.00 0.00 0.33 1.00 119.26 126.27 1bqz h ALA 23 Ca -0.03 0.26 -0.12 0.00 0.00 0.00 0.00 54.91 55.03 1bqz h ALA 23 Cb 1.00 0.47 -0.00 0.00 0.00 0.00 0.00 17.79 19.25 1bqz h ALA 23 CO 0.04 -0.43 -0.30 -0.92 0.00 0.00 0.00 179.25 177.63 1bqz h TYR 24 N 0.07 0.76 -0.74 0.00 3.20 -1.50 -2.46 116.97 116.31 1bqz h TYR 24 Ca 0.41 -0.25 0.21 0.00 3.14 0.00 0.00 58.73 62.24 1bqz h TYR 24 Cb 0.71 -0.15 -0.03 0.00 1.54 0.00 0.00 36.73 38.79 1bqz h TYR 24 CO -0.47 0.98 0.53 -0.22 -1.64 0.00 0.00 178.16 177.33 1bqz h LYS 25 N 0.33 0.05 0.00 1.82 1.63 0.68 1.93 116.57 123.01 1bqz h LYS 25 Ca 0.03 -0.00 -0.02 0.00 -0.85 0.00 0.00 60.65 59.81 1bqz h LYS 25 Cb 0.88 -0.01 -0.00 0.00 -0.60 0.00 0.00 32.23 32.50 1bqz h LYS 25 CO 0.07 0.03 -0.10 0.00 -3.45 0.00 0.00 179.45 176.00 1bqz h ARG 26 N 0.05 0.00 0.01 1.90 3.08 0.11 -2.85 114.38 116.68 1bqz h ARG 26 Ca 0.35 0.00 -0.21 0.00 0.07 0.00 0.00 59.98 60.19 1bqz h ARG 26 Cb 1.35 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 31.37 1bqz h ARG 26 CO -0.02 0.93 -1.00 1.37 -1.07 0.00 0.00 179.97 180.18 1bqz h LEU 27 N -1.00 0.05 -0.30 3.04 8.10 -0.98 -3.15 115.31 121.08 1bqz h LEU 27 Ca -0.03 -0.05 -0.20 0.00 0.11 0.00 0.00 57.88 57.71 1bqz h LEU 27 Cb 0.96 -0.02 0.00 0.00 -0.44 0.00 0.00 40.66 41.17 1bqz h LEU 27 CO -0.02 1.02 -0.70 0.00 -4.11 0.00 0.00 178.44 174.64 1bqz h ALA 28 N 0.97 0.46 0.00 0.17 0.00 0.29 0.38 119.26 121.53 1bqz h ALA 28 Ca -0.02 -0.58 -0.05 0.00 0.00 0.00 0.00 54.91 54.26 1bqz h ALA 28 Cb 1.75 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 19.49 1bqz h ALA 28 CO 0.14 0.70 -0.22 0.00 0.00 0.00 0.00 179.25 179.87 1bqz h MET 29 N 0.48 0.00 0.00 0.00 -0.00 -1.57 0.19 114.93 114.03 1bqz h MET 29 Ca -0.03 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.67 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 0.14 0.22 -0.74 0.87 -0.00 0.00 0.00 176.91 177.40 1bqz h LYS 30 N 0.00 0.00 -0.19 -0.10 1.57 -1.42 -3.31 116.57 113.12 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 0.45 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.76 1bqz h LYS 30 CO 0.03 0.00 0.00 0.66 -0.57 0.00 0.00 179.45 179.57 1bqz n TYR 31 N -2.18 0.24 0.00 -1.35 4.02 0.13 -4.69 117.16 113.32 1bqz n TYR 31 Ca 0.03 -0.16 0.00 0.00 -0.01 0.00 0.00 57.90 57.76 1bqz n TYR 31 Cb 0.46 -0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.77 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 1.03 0.00 -0.46 -0.72 1.44 0.54 -3.55 115.22 113.51 1bqz n HIS 32 Ca 0.13 0.00 -0.08 0.00 -2.01 0.00 0.00 57.72 55.76 1bqz n HIS 32 Cb 0.47 0.00 -0.06 0.00 0.12 0.00 0.00 29.99 30.52 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 1.03 -0.07 -1.40 -0.04 -1.26 -3.36 135.00 129.90 1bqz n PRO 33 Ca 0.00 -0.63 -0.11 0.00 -0.04 0.00 0.00 63.50 62.72 1bqz n PRO 33 Cb 0.00 -1.87 -0.06 0.00 -0.04 0.00 0.00 33.50 31.52 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 3.21 2.40 0.00 3.54 2.03 -1.26 -4.90 116.55 121.57 1bqz n ASP 34 Ca 0.22 -0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.53 1bqz n ASP 34 Cb 0.31 -0.28 0.00 0.00 -0.72 0.00 0.00 41.12 40.44 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 -3.11 1.52 0.26 -0.67 -4.01 -1.21 -4.83 116.66 104.61 1bqz n ARG 35 Ca -0.26 0.00 0.14 0.00 -1.04 0.00 0.00 57.85 56.69 1bqz n ARG 35 Cb 0.74 -0.40 0.62 0.00 -3.04 0.00 0.00 32.46 30.39 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 -0.01 2.89 4.21 -1.60 1.38 115.58 122.44 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 -2.96 1.04 -0.26 0.81 1.13 -1.26 -3.24 117.38 112.63 1bqz n GLN 37 Ca 0.01 -0.05 0.05 0.00 -1.94 0.00 0.00 57.00 55.08 1bqz n GLN 37 Cb 0.61 -1.24 0.08 0.00 0.11 0.00 0.00 30.24 29.80 1bqz n GLN 37 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1bqz n GLY 38 N 0.75 2.90 3.16 1.08 0.00 0.47 -5.01 105.19 108.55 1bqz n GLY 38 Ca 0.11 -0.62 0.05 0.00 0.00 0.00 0.00 46.02 45.56 1bqz n GLY 38 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1bqz s ASP 39 N -2.03 -0.24 0.04 1.61 -1.08 -1.20 -5.02 116.67 108.75 1bqz s ASP 39 Ca 0.18 0.17 0.13 0.00 -0.52 0.00 0.00 52.55 52.51 1bqz s ASP 39 Cb 0.15 1.21 -0.18 0.00 -1.46 0.00 0.00 42.92 42.65 1bqz s ASP 39 CO 0.02 -0.05 0.87 0.11 0.52 0.00 0.00 175.17 176.64 1bqz h LYS 40 N 7.89 0.00 -1.65 4.34 1.57 -1.94 -3.31 116.57 123.47 1bqz h LYS 40 Ca -0.12 0.00 0.48 0.00 -1.87 0.00 0.00 60.65 59.14 1bqz h LYS 40 Cb 1.17 0.00 -0.07 0.00 0.08 0.00 0.00 32.23 33.41 1bqz h LYS 40 CO -0.15 0.51 1.24 1.05 -0.57 0.00 0.00 179.45 181.54 1bqz h GLU 41 N 0.00 0.00 0.00 3.15 4.11 -1.96 2.94 114.58 122.82 1bqz h GLU 41 Ca -0.19 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.24 1bqz h GLU 41 Cb 1.80 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.05 1bqz h GLU 41 CO 0.08 0.00 -0.64 0.00 0.07 0.00 0.00 179.01 178.52 1bqz h ALA 42 N 1.07 0.62 -0.99 1.06 0.00 -1.98 -3.37 119.26 115.67 1bqz h ALA 42 Ca 0.79 0.00 0.29 0.00 0.00 0.00 0.00 54.91 55.98 1bqz h ALA 42 Cb 3.26 0.00 -0.18 0.00 0.00 0.00 0.00 17.79 20.87 1bqz h ALA 42 CO -0.01 0.00 0.07 -1.91 0.00 0.00 0.00 179.25 177.40 1bqz n GLU 43 N -2.35 -0.08 0.45 0.00 4.07 0.98 -1.05 120.64 122.67 1bqz n GLU 43 Ca 0.03 1.48 -0.20 0.00 -0.06 0.00 0.00 57.16 58.40 1bqz n GLU 43 Cb 0.47 -2.38 -0.10 0.00 -0.06 0.00 0.00 31.44 29.38 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 1.99 -1.25 -1.31 4.31 0.00 -1.72 -1.11 119.26 120.17 1bqz h ALA 44 Ca 0.63 -0.26 0.38 0.00 0.00 0.00 0.00 54.91 55.66 1bqz h ALA 44 Cb 1.34 0.57 -0.06 0.00 0.00 0.00 0.00 17.79 19.64 1bqz h ALA 44 CO -0.92 -1.22 0.93 -0.22 0.00 0.00 0.00 179.25 177.83 1bqz h LYS 45 N -1.22 0.03 -0.18 0.00 3.64 -1.36 2.20 116.57 119.68 1bqz h LYS 45 Ca -0.11 -0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 59.23 1bqz h LYS 45 Cb 0.96 -0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.77 1bqz h LYS 45 CO 0.14 0.02 -0.01 0.74 -2.27 0.00 0.00 179.45 178.07 1bqz h PHE 46 N 0.03 0.35 0.00 1.91 0.04 -0.72 -2.60 116.94 115.96 1bqz h PHE 46 Ca 0.64 -0.07 -0.21 0.00 2.80 0.00 0.00 57.97 61.13 1bqz h PHE 46 Cb 2.47 -0.09 -0.04 0.00 2.20 0.00 0.00 35.95 40.50 1bqz h PHE 46 CO -0.00 0.55 -1.34 1.57 -0.60 0.00 0.00 178.31 178.49 1bqz h LYS 47 N 0.06 0.00 -1.06 1.51 -0.00 0.26 -2.76 116.57 114.58 1bqz h LYS 47 Ca 0.05 0.00 0.28 0.00 -0.00 0.00 0.00 60.65 60.98 1bqz h LYS 47 Cb 0.41 0.00 -0.09 0.00 -0.00 0.00 0.00 32.23 32.55 1bqz h LYS 47 CO 0.01 0.51 0.69 0.93 -0.00 0.00 0.00 179.45 181.59 1bqz h GLU 48 N 0.00 0.33 0.00 0.07 4.39 0.34 2.10 114.58 121.81 1bqz h GLU 48 Ca -0.16 -0.02 -0.01 0.00 0.34 0.00 0.00 59.36 59.50 1bqz h GLU 48 Cb 1.75 -0.07 0.00 0.00 -0.10 0.00 0.00 28.75 30.33 1bqz h GLU 48 CO 0.08 0.22 -0.06 0.82 -1.16 0.00 0.00 179.01 178.90 1bqz h ILE 49 N 0.34 1.68 0.00 3.13 2.04 -1.46 -2.84 117.51 120.40 1bqz h ILE 49 Ca 0.59 -2.08 0.00 0.00 1.00 0.00 0.00 64.86 64.38 1bqz h ILE 49 Cb 1.61 3.08 0.00 0.00 -0.74 0.00 0.00 36.82 40.78 1bqz h ILE 49 CO -0.26 0.54 0.00 1.17 0.00 0.00 0.00 178.15 179.60 1bqz n LYS 50 N -4.63 0.12 0.07 2.37 4.81 0.17 -1.10 118.16 119.97 1bqz n LYS 50 Ca -0.10 0.61 -0.23 0.00 -0.87 0.00 0.00 58.31 57.72 1bqz n LYS 50 Cb 0.45 -1.88 -0.15 0.00 0.02 0.00 0.00 35.03 33.47 1bqz n LYS 50 CO 0.00 0.00 0.00 1.49 1.17 0.00 0.00 177.40 180.06 1bqz h GLU 51 N 0.00 0.38 -1.28 1.64 4.57 0.32 -3.31 114.58 116.90 1bqz h GLU 51 Ca 0.00 -0.65 0.46 0.00 -1.18 0.00 0.00 59.36 57.99 1bqz h GLU 51 Cb 0.02 0.24 -0.15 0.00 -0.16 0.00 0.00 28.75 28.70 1bqz h GLU 51 CO 0.00 1.31 0.80 0.00 -1.18 0.00 0.00 179.01 179.94 1bqz n ALA 52 N -2.83 1.28 -0.03 2.92 0.00 -0.26 0.27 120.51 121.86 1bqz n ALA 52 Ca -0.21 0.90 0.01 0.00 0.00 0.00 0.00 53.44 54.13 1bqz n ALA 52 Cb 1.00 -1.04 0.31 0.00 0.00 0.00 0.00 19.45 19.72 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 0.60 -0.22 0.00 0.05 -1.66 0.16 116.97 115.91 1bqz h TYR 53 Ca 0.87 -0.03 0.06 0.00 0.05 0.00 0.00 58.73 59.67 1bqz h TYR 53 Cb 2.68 -0.18 -0.01 0.00 1.01 0.00 0.00 36.73 40.23 1bqz h TYR 53 CO -0.01 0.51 0.58 0.93 -1.05 0.00 0.00 178.16 179.12 1bqz h GLU 54 N 0.59 0.00 0.00 4.88 5.08 0.35 -2.68 114.58 122.80 1bqz h GLU 54 Ca 0.14 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.50 1bqz h GLU 54 Cb 0.19 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.44 1bqz h GLU 54 CO -0.01 0.00 0.00 1.55 -1.00 0.00 0.00 179.01 179.55 1bqz n VAL 55 N -3.06 0.00 -0.60 3.13 3.14 0.39 -4.73 118.33 116.60 1bqz n VAL 55 Ca 0.03 0.00 0.45 0.00 -2.96 0.00 0.00 64.34 61.87 1bqz n VAL 55 Cb 0.68 -0.60 0.69 0.00 -1.06 0.00 0.00 33.84 33.55 1bqz n VAL 55 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1bqz n LEU 56 N -1.11 0.01 -1.81 6.55 -0.00 -0.23 0.20 117.00 120.61 1bqz n LEU 56 Ca 0.00 0.85 -0.16 0.00 -0.00 0.00 0.00 56.01 56.71 1bqz n LEU 56 Cb 0.00 -0.43 0.06 0.00 -0.00 0.00 0.00 43.42 43.05 1bqz n LEU 56 CO 0.00 -0.86 1.11 0.35 -0.00 0.00 0.00 177.39 177.99 1bqz n THR 57 N -3.65 2.57 -3.66 1.47 -2.24 -1.01 -4.39 114.28 103.38 1bqz n THR 57 Ca 0.38 -1.45 -0.10 0.00 -2.27 0.00 0.00 64.05 60.61 1bqz n THR 57 Cb 1.70 -1.11 -0.11 0.00 -2.10 0.00 0.00 70.33 68.71 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 -0.01 -0.05 0.29 3.42 1.11 0.54 -4.98 116.67 116.99 1bqz s ASP 58 Ca 0.31 0.85 0.00 0.00 0.18 0.00 0.00 52.55 53.90 1bqz s ASP 58 Cb 0.25 1.13 0.69 0.00 1.07 0.00 0.00 42.92 46.06 1bqz s ASP 58 CO 0.02 -0.24 1.61 -1.28 1.18 0.00 0.00 175.17 176.46 1bqz h SER 59 N 8.21 -0.30 0.50 0.27 0.87 -1.85 1.59 113.55 122.84 1bqz h SER 59 Ca -0.15 0.24 -0.02 0.00 -1.23 0.00 0.00 61.79 60.62 1bqz h SER 59 Cb 1.11 0.39 0.00 0.00 -0.44 0.00 0.00 62.40 63.46 1bqz h SER 59 CO 0.13 -0.26 -0.24 -0.61 -0.53 0.00 0.00 176.83 175.31 1bqz h GLN 60 N 0.08 -0.64 -0.06 2.24 5.75 -1.96 -1.35 115.11 119.17 1bqz h GLN 60 Ca 0.55 0.04 0.02 0.00 -0.15 0.00 0.00 58.65 59.11 1bqz h GLN 60 Cb 1.11 0.15 -0.02 0.00 1.07 0.00 0.00 27.48 29.79 1bqz h GLN 60 CO -0.79 -0.43 -0.05 0.87 -2.65 0.00 0.00 178.83 175.78 1bqz h LYS 61 N -0.77 -0.06 -0.59 1.69 6.56 -1.54 2.10 116.57 123.97 1bqz h LYS 61 Ca -0.07 0.00 0.16 0.00 -1.06 0.00 0.00 60.65 59.69 1bqz h LYS 61 Cb 0.51 0.01 -0.03 0.00 -0.57 0.00 0.00 32.23 32.16 1bqz h LYS 61 CO 0.11 -0.04 0.42 0.07 -2.06 0.00 0.00 179.45 177.95 1bqz h ARG 62 N -0.06 0.04 0.00 3.15 0.11 0.24 2.37 114.38 120.23 1bqz h ARG 62 Ca 0.04 -0.00 -0.03 0.00 0.10 0.00 0.00 59.98 60.09 1bqz h ARG 62 Cb 0.13 -0.01 -0.01 0.00 1.11 0.00 0.00 29.97 31.19 1bqz h ARG 62 CO -0.10 0.03 -1.16 0.00 0.10 0.00 0.00 179.97 178.84 1bqz n ALA 63 N -2.64 2.44 -0.09 0.08 0.00 -0.31 -3.25 120.51 116.73 1bqz n ALA 63 Ca 0.11 -0.31 -0.17 0.00 0.00 0.00 0.00 53.44 53.07 1bqz n ALA 63 Cb 0.64 -1.05 -0.09 0.00 0.00 0.00 0.00 19.45 18.95 1bqz n ALA 63 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1bqz h ALA 64 N 1.89 0.18 0.00 0.00 0.00 0.95 -3.37 119.26 118.91 1bqz h ALA 64 Ca -0.03 -0.97 0.00 0.00 0.00 0.00 0.00 54.91 53.91 1bqz h ALA 64 Cb 1.11 0.62 0.00 0.00 0.00 0.00 0.00 17.79 19.52 1bqz h ALA 64 CO 0.01 0.59 0.00 1.88 0.00 0.00 0.00 179.25 181.73 1bqz h TYR 65 N -1.00 0.00 0.00 0.00 -1.99 0.34 -2.02 116.97 112.30 1bqz h TYR 65 Ca -0.23 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.50 1bqz h TYR 65 Cb 1.06 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.79 1bqz h TYR 65 CO 0.03 0.00 0.00 0.38 -0.00 0.00 0.00 178.16 178.57 1bqz h ASP 66 N 0.00 0.00 0.00 3.88 2.03 -1.64 -2.86 116.42 117.84 1bqz h ASP 66 Ca 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 1bqz h ASP 66 Cb 0.36 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.86 1bqz h ASP 66 CO 0.00 0.00 -0.13 0.00 -1.03 0.00 0.00 179.24 178.08 1bqz n GLN 67 N -2.46 0.78 -2.07 4.15 1.13 -0.84 -4.79 117.38 113.28 1bqz n GLN 67 Ca 0.00 -1.11 -0.17 0.00 -1.94 0.00 0.00 57.00 53.79 1bqz n GLN 67 Cb 0.17 -0.73 -0.03 0.00 0.11 0.00 0.00 30.24 29.75 1bqz n GLN 67 CO 0.00 0.00 0.00 0.66 -1.44 0.00 0.00 177.06 176.28 1bqz n TYR 68 N -0.29 -0.82 0.00 1.08 4.01 -0.84 -4.31 117.16 115.99 1bqz n TYR 68 Ca 0.02 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.76 1bqz n TYR 68 Cb 0.52 -3.26 0.00 0.00 -0.31 0.00 0.00 39.34 36.29 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 -0.69 1.82 0.00 2.72 0.00 -0.82 -4.57 105.19 103.65 1bqz n GLY 69 Ca -0.19 -1.95 0.08 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 2.00 0.00 -0.33 1.61 1.44 -1.26 -3.09 115.22 115.58 1bqz n HIS 70 Ca 0.00 0.00 -0.02 0.00 -2.01 0.00 0.00 57.72 55.69 1bqz n HIS 70 Cb 0.00 -0.37 0.11 0.00 0.12 0.00 0.00 29.99 29.85 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 2.69 1.18 0.00 1.59 0.00 -1.82 0.41 119.26 123.32 1bqz h ALA 71 Ca 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1bqz h ALA 71 Cb 0.21 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 17.66 1bqz h ALA 71 CO 0.00 0.48 0.05 0.00 0.00 0.00 0.00 179.25 179.78 1bqz h ALA 72 N 1.36 1.03 0.00 0.00 0.00 -1.73 -0.11 119.26 119.81 1bqz h ALA 72 Ca 0.35 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.26 1bqz h ALA 72 Cb -0.05 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.74 1bqz h ALA 72 CO -0.10 -0.03 -0.01 1.19 0.00 0.00 0.00 179.25 180.30 1bqz n PHE 73 N -2.30 0.00 0.00 0.00 3.01 0.06 -5.05 117.46 113.19 1bqz n PHE 73 Ca -0.01 -0.83 0.00 0.00 1.01 0.00 0.00 57.45 57.62 1bqz n PHE 73 Cb 0.08 -0.12 0.00 0.00 -0.01 0.00 0.00 39.48 39.44 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 -1.13 0.00 -0.11 -1.08 1.02 -0.06 -1.06 120.64 118.22 1bqz n GLU 74 Ca 0.11 0.00 -0.15 0.00 -0.02 0.00 0.00 57.16 57.10 1bqz n GLU 74 Cb 0.52 0.00 -0.13 0.00 -0.02 0.00 0.00 31.44 31.81 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 0.69 -0.78 3.49 6.02 -1.26 -4.62 117.38 120.93 1bqz n GLN 75 Ca 0.00 0.09 0.00 0.00 -0.01 0.00 0.00 57.00 57.08 1bqz n GLN 75 Cb 0.00 -1.50 0.00 0.00 1.02 0.00 0.00 30.24 29.76 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 2.13 0.59 0.83 1.08 0.00 -0.22 -5.12 105.19 104.48 1bqz n GLY 76 Ca -0.40 -1.76 0.10 0.00 0.00 0.00 0.00 46.02 43.96 1bqz n GLY 76 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93