#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 0.24 -1.52 0.00 4.01 -1.26 -5.10 118.16 114.53 1bqz n LYS 2 Ca 0.00 0.00 -0.02 0.00 -0.51 0.00 0.00 58.31 57.78 1bqz n LYS 2 Cb 0.00 0.00 0.00 0.00 -0.51 0.00 0.00 35.03 34.52 1bqz n LYS 2 CO 0.00 0.00 0.00 1.04 -1.11 0.00 0.00 177.40 177.33 1bqz n GLN 3 N -0.83 1.33 -4.32 1.97 6.02 -1.26 -5.15 117.38 115.15 1bqz n GLN 3 Ca 0.00 -0.22 -0.18 0.00 -0.01 0.00 0.00 57.00 56.59 1bqz n GLN 3 Cb 0.00 0.01 -0.10 0.00 1.02 0.00 0.00 30.24 31.17 1bqz n GLN 3 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 1bqz s ASP 4 N -1.21 2.40 0.45 1.08 1.01 -1.26 -5.02 116.67 114.12 1bqz s ASP 4 Ca 0.02 -0.98 0.00 0.00 0.71 0.00 0.00 52.55 52.31 1bqz s ASP 4 Cb -0.00 -0.11 0.00 0.00 1.01 0.00 0.00 42.92 43.82 1bqz s ASP 4 CO 0.02 -0.18 0.00 -1.22 0.21 0.00 0.00 175.17 174.00 1bqz n TYR 5 N -0.18 -4.66 0.28 4.23 4.02 -1.26 -4.56 117.16 115.04 1bqz n TYR 5 Ca -0.10 1.56 0.15 0.00 -0.01 0.00 0.00 57.90 59.50 1bqz n TYR 5 Cb 0.60 3.90 0.82 0.00 -0.02 0.00 0.00 39.34 44.64 1bqz n TYR 5 CO 0.00 0.00 0.00 1.88 -1.01 0.00 0.00 176.86 177.73 1bqz h TYR 6 N 0.00 0.00 0.00 -0.72 0.05 -1.87 0.19 116.97 114.62 1bqz h TYR 6 Ca 0.00 0.00 -0.26 0.00 0.05 0.00 0.00 58.73 58.52 1bqz h TYR 6 Cb 0.00 0.00 -0.04 0.00 1.01 0.00 0.00 36.73 37.70 1bqz h TYR 6 CO 0.00 0.07 -1.58 0.93 -1.05 0.00 0.00 178.16 176.54 1bqz h GLU 7 N 0.00 0.00 -0.52 4.88 5.08 -1.89 0.60 114.58 122.73 1bqz h GLU 7 Ca -0.00 0.00 0.10 0.00 -1.00 0.00 0.00 59.36 58.46 1bqz h GLU 7 Cb 0.26 0.00 -0.09 0.00 0.50 0.00 0.00 28.75 29.42 1bqz h GLU 7 CO 0.01 0.51 -0.03 0.82 -1.00 0.00 0.00 179.01 179.32 1bqz h ILE 8 N 0.00 0.56 -0.00 3.13 2.04 -0.89 0.23 117.51 122.57 1bqz h ILE 8 Ca -0.24 -0.03 0.00 0.00 1.00 0.00 0.00 64.86 65.59 1bqz h ILE 8 Cb 1.92 0.47 0.00 0.00 -0.74 0.00 0.00 36.82 38.47 1bqz h ILE 8 CO 0.08 0.02 -0.25 0.18 0.00 0.00 0.00 178.15 178.17 1bqz n LEU 9 N -5.28 0.70 -0.08 1.44 7.99 -0.79 -4.89 117.00 116.10 1bqz n LEU 9 Ca 0.06 -0.09 -0.01 0.00 -0.01 0.00 0.00 56.01 55.96 1bqz n LEU 9 Cb 0.28 -0.19 -0.00 0.00 -0.11 0.00 0.00 43.42 43.40 1bqz n LEU 9 CO 0.13 0.14 -0.01 0.61 -1.51 0.00 0.00 177.39 176.75 1bqz n GLY 10 N 1.37 0.49 1.91 -0.72 0.00 0.80 -4.58 105.19 104.45 1bqz n GLY 10 Ca 0.11 -0.31 -0.12 0.00 0.00 0.00 0.00 46.02 45.70 1bqz n GLY 10 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1bqz n VAL 11 N -2.87 0.00 -3.10 1.61 0.31 0.21 -4.93 118.33 109.56 1bqz n VAL 11 Ca -0.01 -0.70 -0.34 0.00 -0.01 0.00 0.00 64.34 63.27 1bqz n VAL 11 Cb 0.08 -1.29 -0.06 0.00 -0.91 0.00 0.00 33.84 31.66 1bqz n VAL 11 CO 0.00 0.00 0.00 -0.55 -1.32 0.00 0.00 176.83 174.96 1bqz s SER 12 N -3.10 6.94 0.65 4.52 0.15 -1.26 -4.25 113.70 117.34 1bqz s SER 12 Ca 0.34 1.38 0.25 0.00 0.70 0.00 0.00 55.95 58.61 1bqz s SER 12 Cb -0.02 -2.41 1.33 0.00 -1.71 0.00 0.00 66.02 63.22 1bqz s SER 12 CO 0.23 -0.09 1.75 0.07 1.20 0.00 0.00 173.24 176.40 1bqz h LYS 13 N 2.86 0.00 -0.23 5.44 -0.00 -1.92 2.29 116.57 125.00 1bqz h LYS 13 Ca -0.48 0.00 -0.05 0.00 -0.00 0.00 0.00 60.65 60.13 1bqz h LYS 13 Cb 1.18 0.00 -0.03 0.00 -0.00 0.00 0.00 32.23 33.39 1bqz h LYS 13 CO 0.65 0.00 -0.03 0.25 -0.00 0.00 0.00 179.45 180.32 1bqz n THR 14 N -3.02 2.28 0.00 0.07 -2.24 -1.26 -4.14 114.28 105.97 1bqz n THR 14 Ca 0.01 -2.20 0.00 0.00 -2.27 0.00 0.00 64.05 59.59 1bqz n THR 14 Cb 0.58 -0.27 0.00 0.00 -2.10 0.00 0.00 70.33 68.54 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 -0.85 0.00 -3.66 6.98 0.00 0.77 -5.03 120.51 118.72 1bqz n ALA 15 Ca 0.23 0.00 -0.06 0.00 0.00 0.00 0.00 53.44 53.61 1bqz n ALA 15 Cb 0.88 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 20.26 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 0.54 0.53 0.00 2.02 -1.26 -4.97 118.70 115.56 1bqz s GLU 16 Ca 0.00 1.17 0.28 0.00 0.02 0.00 0.00 54.97 56.44 1bqz s GLU 16 Cb 0.00 0.34 0.96 0.00 0.10 0.00 0.00 34.13 35.54 1bqz s GLU 16 CO 0.00 -0.18 1.20 -0.85 0.02 0.00 0.00 175.26 175.45 1bqz n GLU 17 N 4.80 0.01 0.22 1.61 0.28 -1.26 0.19 120.64 126.49 1bqz n GLU 17 Ca -0.16 0.92 0.11 0.00 -0.16 0.00 0.00 57.16 57.87 1bqz n GLU 17 Cb 0.54 -2.24 0.31 0.00 1.43 0.00 0.00 31.44 31.47 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 -0.00 -1.95 0.27 114.38 116.14 1bqz h ARG 18 Ca 0.52 0.00 0.00 0.00 -0.00 0.00 0.00 59.98 60.50 1bqz h ARG 18 Cb 2.77 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 32.74 1bqz h ARG 18 CO -0.01 0.12 -1.59 -0.85 -0.00 0.00 0.00 179.97 177.64 1bqz n GLU 19 N -3.16 0.50 -0.07 0.08 0.28 0.51 -3.38 120.64 115.39 1bqz n GLU 19 Ca 0.02 -0.12 -0.10 0.00 -0.16 0.00 0.00 57.16 56.80 1bqz n GLU 19 Cb 0.50 -1.49 -0.06 0.00 1.43 0.00 0.00 31.44 31.82 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 0.67 -0.22 3.84 5.03 -1.26 -0.67 117.51 124.90 1bqz h ILE 20 Ca 0.00 -1.62 0.07 0.00 -0.12 0.00 0.00 64.86 63.18 1bqz h ILE 20 Cb 0.78 1.39 -0.01 0.00 -3.03 0.00 0.00 36.82 35.96 1bqz h ILE 20 CO 0.00 0.23 0.29 0.08 -0.68 0.00 0.00 178.15 178.07 1bqz h ARG 21 N -1.00 0.00 0.02 2.37 -0.00 -1.14 -1.58 114.38 113.04 1bqz h ARG 21 Ca -0.08 0.00 -0.00 0.00 -0.00 0.00 0.00 59.98 59.90 1bqz h ARG 21 Cb 0.69 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 30.66 1bqz h ARG 21 CO -0.05 0.00 -0.01 -0.22 -0.00 0.00 0.00 179.97 179.69 1bqz h LYS 22 N 0.00 -0.02 -1.07 0.08 1.63 -1.57 -1.82 116.57 113.80 1bqz h LYS 22 Ca 0.11 0.00 0.29 0.00 -0.85 0.00 0.00 60.65 60.20 1bqz h LYS 22 Cb 0.68 0.00 -0.11 0.00 -0.60 0.00 0.00 32.23 32.21 1bqz h LYS 22 CO -0.00 0.73 0.67 0.00 -3.45 0.00 0.00 179.45 177.40 1bqz h ALA 23 N -0.14 2.21 0.08 5.00 0.00 -0.10 0.61 119.26 126.92 1bqz h ALA 23 Ca -0.00 0.09 -0.15 0.00 0.00 0.00 0.00 54.91 54.85 1bqz h ALA 23 Cb 0.76 0.06 0.02 0.00 0.00 0.00 0.00 17.79 18.62 1bqz h ALA 23 CO 0.00 -0.67 -0.63 -0.92 0.00 0.00 0.00 179.25 177.03 1bqz h TYR 24 N 0.38 0.48 -0.53 0.00 3.20 -1.59 -2.53 116.97 116.38 1bqz h TYR 24 Ca 0.64 -0.32 0.15 0.00 3.14 0.00 0.00 58.73 62.35 1bqz h TYR 24 Cb 1.62 -0.03 -0.02 0.00 1.54 0.00 0.00 36.73 39.84 1bqz h TYR 24 CO -0.00 1.21 0.47 0.87 -1.64 0.00 0.00 178.16 179.07 1bqz h LYS 25 N -0.38 0.00 0.04 1.82 1.57 0.54 2.42 116.57 122.57 1bqz h LYS 25 Ca -0.10 0.00 -0.11 0.00 -1.87 0.00 0.00 60.65 58.57 1bqz h LYS 25 Cb 1.44 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.75 1bqz h LYS 25 CO 0.12 0.00 -0.56 0.00 -0.57 0.00 0.00 179.45 178.44 1bqz h ARG 26 N 0.00 0.07 0.11 3.15 2.47 0.09 -2.33 114.38 117.94 1bqz h ARG 26 Ca 0.25 -0.13 -0.27 0.00 -1.26 0.00 0.00 59.98 58.57 1bqz h ARG 26 Cb 1.20 0.05 0.01 0.00 -1.65 0.00 0.00 29.97 29.57 1bqz h ARG 26 CO -0.00 1.06 -1.20 1.37 0.56 0.00 0.00 179.97 181.76 1bqz h LEU 27 N -0.82 0.46 -0.18 3.04 8.10 -0.87 -2.79 115.31 122.24 1bqz h LEU 27 Ca -0.13 -0.47 -0.06 0.00 0.11 0.00 0.00 57.88 57.33 1bqz h LEU 27 Cb 1.25 -0.15 -0.00 0.00 -0.44 0.00 0.00 40.66 41.32 1bqz h LEU 27 CO -0.02 1.34 -0.13 0.00 -4.11 0.00 0.00 178.44 175.53 1bqz h ALA 28 N 0.59 0.26 0.00 0.17 0.00 0.39 1.45 119.26 122.13 1bqz h ALA 28 Ca -0.13 -0.31 -0.01 0.00 0.00 0.00 0.00 54.91 54.46 1bqz h ALA 28 Cb 1.91 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 19.64 1bqz h ALA 28 CO 0.20 0.13 -0.07 0.00 0.00 0.00 0.00 179.25 179.51 1bqz h MET 29 N 0.09 0.00 0.00 0.00 -0.00 -1.48 1.25 114.93 114.78 1bqz h MET 29 Ca 0.04 0.00 -0.02 0.00 -0.00 0.00 0.00 59.70 59.72 1bqz h MET 29 Cb 0.64 0.00 -0.00 0.00 -0.00 0.00 0.00 31.60 32.24 1bqz h MET 29 CO 0.03 0.07 -0.83 0.87 -0.00 0.00 0.00 176.91 177.05 1bqz h LYS 30 N 0.00 0.00 -0.42 -0.10 1.57 -1.06 -3.28 116.57 113.28 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 0.19 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.50 1bqz h LYS 30 CO 0.01 0.04 0.00 0.66 -0.57 0.00 0.00 179.45 179.59 1bqz n TYR 31 N -2.79 0.55 0.00 -1.35 4.02 0.49 -4.76 117.16 113.31 1bqz n TYR 31 Ca 0.00 -0.35 0.00 0.00 -0.01 0.00 0.00 57.90 57.54 1bqz n TYR 31 Cb 0.58 -0.01 0.00 0.00 -0.02 0.00 0.00 39.34 39.89 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 1.15 0.00 -0.41 -0.72 1.44 0.40 -3.66 115.22 113.42 1bqz n HIS 32 Ca 0.17 0.00 -0.05 0.00 -2.01 0.00 0.00 57.72 55.83 1bqz n HIS 32 Cb 0.52 0.00 -0.07 0.00 0.12 0.00 0.00 29.99 30.56 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 0.82 -0.12 -1.40 -0.04 -1.26 -3.25 135.00 129.75 1bqz n PRO 33 Ca 0.00 -0.40 -0.18 0.00 -0.04 0.00 0.00 63.50 62.88 1bqz n PRO 33 Cb 0.00 -1.69 -0.10 0.00 -0.04 0.00 0.00 33.50 31.67 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 2.75 2.10 0.00 3.54 2.03 -1.26 -4.86 116.55 120.86 1bqz n ASP 34 Ca 0.17 -0.01 0.00 0.00 0.52 0.00 0.00 54.79 55.47 1bqz n ASP 34 Cb 0.38 -0.45 0.00 0.00 -0.72 0.00 0.00 41.12 40.33 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 -3.40 0.71 -0.46 -0.67 -4.01 -1.21 -4.83 116.66 102.79 1bqz n ARG 35 Ca -0.42 0.00 0.39 0.00 -1.04 0.00 0.00 57.85 56.78 1bqz n ARG 35 Cb 0.90 -0.47 0.71 0.00 -3.04 0.00 0.00 32.46 30.56 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 0.14 0.18 2.89 2.35 -1.62 2.21 115.58 121.72 1bqz h ASN 36 Ca 0.00 0.05 0.00 0.00 -0.55 0.00 0.00 56.30 55.80 1bqz h ASN 36 Cb 0.00 0.04 0.00 0.00 0.05 0.00 0.00 38.32 38.41 1bqz h ASN 36 CO 0.00 -0.04 0.00 0.00 -1.65 0.00 0.00 177.43 175.74 1bqz n GLN 37 N -4.34 0.03 -0.25 0.81 1.13 -1.26 -1.50 117.38 112.00 1bqz n GLN 37 Ca 0.34 0.44 0.04 0.00 -1.94 0.00 0.00 57.00 55.88 1bqz n GLN 37 Cb 1.45 -1.57 0.06 0.00 0.11 0.00 0.00 30.24 30.29 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 -0.98 2.22 2.97 1.08 0.00 0.74 -4.99 105.19 106.23 1bqz n GLY 38 Ca 0.01 -0.47 -0.31 0.00 0.00 0.00 0.00 46.02 45.25 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 -1.70 4.08 0.00 1.61 2.15 -0.56 -5.09 116.67 117.16 1bqz s ASP 39 Ca 0.13 -1.31 0.00 0.00 0.43 0.00 0.00 52.55 51.80 1bqz s ASP 39 Cb 0.12 -1.30 0.00 0.00 -0.30 0.00 0.00 42.92 41.44 1bqz s ASP 39 CO 0.01 -0.24 0.00 0.29 -0.17 0.00 0.00 175.17 175.07 1bqz n LYS 40 N 4.58 0.69 0.00 4.34 4.76 -1.26 -4.12 118.16 127.15 1bqz n LYS 40 Ca -0.11 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.33 1bqz n LYS 40 Cb 0.43 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.62 1bqz n LYS 40 CO 0.00 0.00 0.00 -0.85 -1.37 0.00 0.00 177.40 175.18 1bqz n GLU 41 N 0.00 0.00 -0.00 1.97 0.28 -1.26 0.30 120.64 121.92 1bqz n GLU 41 Ca 0.00 0.00 0.22 0.00 -0.16 0.00 0.00 57.16 57.22 1bqz n GLU 41 Cb 0.00 0.00 0.55 0.00 1.43 0.00 0.00 31.44 33.42 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 2.42 -0.95 -1.84 0.00 -2.01 0.16 119.26 117.05 1bqz h ALA 42 Ca 0.00 -0.02 0.29 0.00 0.00 0.00 0.00 54.91 55.17 1bqz h ALA 42 Cb 0.00 0.05 -0.16 0.00 0.00 0.00 0.00 17.79 17.67 1bqz h ALA 42 CO 0.00 -1.16 0.23 1.49 0.00 0.00 0.00 179.25 179.81 1bqz h GLU 43 N 0.00 0.10 0.41 0.00 4.81 0.43 -1.37 114.58 118.97 1bqz h GLU 43 Ca 0.29 -0.01 -0.02 0.00 -0.13 0.00 0.00 59.36 59.50 1bqz h GLU 43 Cb 1.97 -0.02 -0.00 0.00 0.63 0.00 0.00 28.75 31.32 1bqz h GLU 43 CO -0.00 0.06 -0.27 0.00 -0.73 0.00 0.00 179.01 178.07 1bqz h ALA 44 N 1.90 -1.09 -0.90 2.92 0.00 -1.19 0.01 119.26 120.91 1bqz h ALA 44 Ca 0.63 -0.13 0.26 0.00 0.00 0.00 0.00 54.91 55.67 1bqz h ALA 44 Cb 1.39 0.40 -0.04 0.00 0.00 0.00 0.00 17.79 19.54 1bqz h ALA 44 CO -0.77 -1.07 0.93 -0.22 0.00 0.00 0.00 179.25 178.12 1bqz h LYS 45 N -0.64 0.00 0.01 0.00 3.64 -1.46 3.63 116.57 121.74 1bqz h LYS 45 Ca -0.06 0.00 -0.13 0.00 -1.27 0.00 0.00 60.65 59.20 1bqz h LYS 45 Cb 0.52 0.00 0.01 0.00 -0.41 0.00 0.00 32.23 32.35 1bqz h LYS 45 CO 0.05 0.00 -0.50 0.74 -2.27 0.00 0.00 179.45 177.46 1bqz h PHE 46 N 0.00 0.49 0.00 1.91 -1.00 -0.58 -3.16 116.94 114.59 1bqz h PHE 46 Ca 0.43 -0.27 -0.11 0.00 2.81 0.00 0.00 57.97 60.82 1bqz h PHE 46 Cb 2.29 -0.05 -0.02 0.00 3.61 0.00 0.00 35.95 41.78 1bqz h PHE 46 CO 0.00 1.10 -1.18 1.57 -1.61 0.00 0.00 178.31 178.18 1bqz h LYS 47 N -0.26 0.00 -1.01 1.51 5.09 0.18 -3.28 116.57 118.80 1bqz h LYS 47 Ca -0.07 0.00 0.23 0.00 0.09 0.00 0.00 60.65 60.90 1bqz h LYS 47 Cb 1.24 0.00 -0.11 0.00 0.10 0.00 0.00 32.23 33.47 1bqz h LYS 47 CO 0.10 0.22 0.62 0.93 -2.09 0.00 0.00 179.45 179.23 1bqz h GLU 48 N 0.00 0.57 -0.93 0.07 4.39 0.64 1.53 114.58 120.86 1bqz h GLU 48 Ca -0.10 -0.03 0.07 0.00 0.34 0.00 0.00 59.36 59.63 1bqz h GLU 48 Cb 1.40 -0.13 -0.06 0.00 -0.10 0.00 0.00 28.75 29.86 1bqz h GLU 48 CO 0.03 0.38 0.60 0.82 -1.16 0.00 0.00 179.01 179.68 1bqz h ILE 49 N 0.59 1.06 -0.82 3.13 2.04 -1.61 -0.21 117.51 121.69 1bqz h ILE 49 Ca 0.59 -0.36 -0.03 0.00 1.00 0.00 0.00 64.86 66.07 1bqz h ILE 49 Cb 1.18 -0.08 -0.04 0.00 -0.74 0.00 0.00 36.82 37.14 1bqz h ILE 49 CO -0.37 0.19 0.41 0.50 0.00 0.00 0.00 178.15 178.88 1bqz h LYS 50 N 1.05 1.17 -0.73 2.37 3.11 0.20 -2.30 116.57 121.44 1bqz h LYS 50 Ca 0.40 -0.16 0.09 0.00 -2.81 0.00 0.00 60.65 58.17 1bqz h LYS 50 Cb 0.21 -0.22 -0.07 0.00 -1.00 0.00 0.00 32.23 31.16 1bqz h LYS 50 CO -0.16 0.88 0.38 1.49 -2.81 0.00 0.00 179.45 179.24 1bqz h GLU 51 N 1.16 0.64 -0.93 1.90 4.81 -0.47 0.16 114.58 121.85 1bqz h GLU 51 Ca 0.28 -0.04 0.27 0.00 -0.13 0.00 0.00 59.36 59.75 1bqz h GLU 51 Cb 0.09 -0.14 -0.04 0.00 0.63 0.00 0.00 28.75 29.29 1bqz h GLU 51 CO -0.04 0.42 1.03 0.00 -0.73 0.00 0.00 179.01 179.69 1bqz h ALA 52 N 1.43 2.81 -0.31 2.92 0.00 -1.19 0.79 119.26 125.71 1bqz h ALA 52 Ca 0.35 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.22 1bqz h ALA 52 Cb 0.35 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 1bqz h ALA 52 CO -0.25 -1.51 0.15 1.88 0.00 0.00 0.00 179.25 179.51 1bqz h TYR 53 N 0.00 0.44 -0.36 0.00 -1.99 -0.78 0.76 116.97 115.04 1bqz h TYR 53 Ca 0.44 -0.02 0.11 0.00 2.00 0.00 0.00 58.73 61.26 1bqz h TYR 53 Cb 2.50 -0.14 -0.01 0.00 2.00 0.00 0.00 36.73 41.08 1bqz h TYR 53 CO 0.00 0.39 0.59 0.93 -0.00 0.00 0.00 178.16 180.07 1bqz h GLU 54 N 0.36 0.00 0.01 4.88 5.08 0.48 1.78 114.58 127.17 1bqz h GLU 54 Ca 0.11 0.00 -0.41 0.00 -1.00 0.00 0.00 59.36 58.06 1bqz h GLU 54 Cb 0.11 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.30 1bqz h GLU 54 CO -0.01 0.00 -2.34 1.55 -1.00 0.00 0.00 179.01 177.21 1bqz n VAL 55 N -3.30 1.54 0.08 3.13 3.14 0.28 -4.50 118.33 118.70 1bqz n VAL 55 Ca 0.07 -0.43 0.05 0.00 -2.96 0.00 0.00 64.34 61.07 1bqz n VAL 55 Cb 0.74 -1.74 -0.03 0.00 -1.06 0.00 0.00 33.84 31.75 1bqz n VAL 55 CO 0.00 0.00 0.00 0.25 -6.46 0.00 0.00 176.83 170.62 1bqz h LEU 56 N -0.59 0.00 -3.02 6.55 7.12 0.18 -1.38 115.31 124.17 1bqz h LEU 56 Ca -0.60 0.00 -0.23 0.00 0.13 0.00 0.00 57.88 57.17 1bqz h LEU 56 Cb 1.71 0.00 -0.12 0.00 -0.53 0.00 0.00 40.66 41.72 1bqz h LEU 56 CO -0.25 0.33 0.30 0.35 -0.13 0.00 0.00 178.44 179.04 1bqz n THR 57 N -2.86 2.17 -3.65 1.05 -2.24 0.59 -4.32 114.28 105.03 1bqz n THR 57 Ca -0.04 -1.03 -0.10 0.00 -2.27 0.00 0.00 64.05 60.60 1bqz n THR 57 Cb 0.71 -0.99 -0.11 0.00 -2.10 0.00 0.00 70.33 67.84 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 0.21 -0.05 0.25 3.42 1.01 -1.25 -4.91 116.67 115.34 1bqz s ASP 58 Ca 0.24 0.84 -0.04 0.00 0.71 0.00 0.00 52.55 54.30 1bqz s ASP 58 Cb 0.20 1.15 0.49 0.00 1.01 0.00 0.00 42.92 45.76 1bqz s ASP 58 CO 0.03 -0.24 1.67 -1.28 0.21 0.00 0.00 175.17 175.56 1bqz h SER 59 N 8.21 -0.04 -0.37 0.27 0.87 -1.88 0.30 113.55 120.90 1bqz h SER 59 Ca -0.15 0.16 -0.02 0.00 -1.23 0.00 0.00 61.79 60.54 1bqz h SER 59 Cb 1.11 0.23 -0.02 0.00 -0.44 0.00 0.00 62.40 63.28 1bqz h SER 59 CO 0.13 -0.07 0.16 -0.61 -0.53 0.00 0.00 176.83 175.91 1bqz h GLN 60 N 0.24 0.60 0.12 2.24 4.15 -1.96 -0.97 115.11 119.52 1bqz h GLN 60 Ca 0.43 -0.08 -0.01 0.00 0.77 0.00 0.00 58.65 59.76 1bqz h GLN 60 Cb 0.76 -0.11 0.00 0.00 0.21 0.00 0.00 27.48 28.34 1bqz h GLN 60 CO -0.55 0.51 -0.06 0.87 -1.93 0.00 0.00 178.83 177.67 1bqz h LYS 61 N 0.60 -0.15 -0.02 1.69 1.79 -0.76 -2.62 116.57 117.09 1bqz h LYS 61 Ca 0.15 0.01 0.01 0.00 -2.18 0.00 0.00 60.65 58.63 1bqz h LYS 61 Cb 0.14 0.03 -0.00 0.00 -1.58 0.00 0.00 32.23 30.82 1bqz h LYS 61 CO -0.01 0.13 0.04 0.07 -1.08 0.00 0.00 179.45 178.59 1bqz h ARG 62 N -1.00 0.00 0.00 3.15 0.11 0.54 0.64 114.38 117.83 1bqz h ARG 62 Ca -0.02 0.00 -0.10 0.00 0.10 0.00 0.00 59.98 59.96 1bqz h ARG 62 Cb 0.35 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 31.41 1bqz h ARG 62 CO 0.03 0.00 -0.62 0.00 0.10 0.00 0.00 179.97 179.48 1bqz h ALA 63 N 1.94 0.69 0.02 0.08 0.00 -1.22 -2.41 119.26 118.36 1bqz h ALA 63 Ca 0.01 -0.45 -0.25 0.00 0.00 0.00 0.00 54.91 54.22 1bqz h ALA 63 Cb 0.09 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 17.84 1bqz h ALA 63 CO -0.00 0.58 -1.35 0.00 0.00 0.00 0.00 179.25 178.48 1bqz h ALA 64 N 1.56 0.28 0.00 0.00 0.00 -0.22 -3.36 119.26 117.52 1bqz h ALA 64 Ca -0.03 -1.22 0.00 0.00 0.00 0.00 0.00 54.91 53.66 1bqz h ALA 64 Cb 1.36 0.72 0.00 0.00 0.00 0.00 0.00 17.79 19.87 1bqz h ALA 64 CO 0.05 0.79 0.00 1.88 0.00 0.00 0.00 179.25 181.97 1bqz h TYR 65 N -0.82 0.00 -0.70 0.00 -1.99 -0.01 -2.68 116.97 110.77 1bqz h TYR 65 Ca -0.35 0.00 0.15 0.00 2.00 0.00 0.00 58.73 60.53 1bqz h TYR 65 Cb 1.42 0.00 -0.04 0.00 2.00 0.00 0.00 36.73 40.11 1bqz h TYR 65 CO 0.10 0.00 0.48 0.38 -0.00 0.00 0.00 178.16 179.12 1bqz h ASP 66 N 0.00 0.27 -0.11 3.88 2.03 -1.58 -0.19 116.42 120.72 1bqz h ASP 66 Ca 0.00 0.02 0.00 0.00 -0.73 0.00 0.00 57.03 56.32 1bqz h ASP 66 Cb 0.46 -0.04 0.00 0.00 -0.83 0.00 0.00 39.33 38.92 1bqz h ASP 66 CO 0.00 0.14 0.00 0.00 -1.03 0.00 0.00 179.24 178.35 1bqz n GLN 67 N -4.44 2.28 -1.85 4.15 6.02 -1.04 -4.81 117.38 117.68 1bqz n GLN 67 Ca 0.13 -2.34 -0.10 0.00 -0.01 0.00 0.00 57.00 54.69 1bqz n GLN 67 Cb 0.57 -1.45 -0.02 0.00 1.02 0.00 0.00 30.24 30.36 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 -0.75 -1.01 0.00 1.08 4.02 -0.09 -4.31 117.16 116.11 1bqz n TYR 68 Ca 0.13 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 58.02 1bqz n TYR 68 Cb 0.59 -2.30 0.00 0.00 -0.02 0.00 0.00 39.34 37.61 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 -0.46 0.77 0.41 2.72 0.00 -1.04 -4.53 105.19 103.06 1bqz n GLY 69 Ca -0.11 -2.10 0.03 0.00 0.00 0.00 0.00 46.02 43.84 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 0.44 0.29 0.11 1.61 1.44 -1.26 -3.75 115.22 114.09 1bqz n HIS 70 Ca 0.00 -0.13 -0.16 0.00 -2.01 0.00 0.00 57.72 55.41 1bqz n HIS 70 Cb 0.00 -0.03 -0.13 0.00 0.12 0.00 0.00 29.99 29.95 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 3.23 0.09 -0.11 1.59 0.00 -1.83 -2.95 119.26 119.29 1bqz h ALA 71 Ca 0.00 -0.87 0.03 0.00 0.00 0.00 0.00 54.91 54.07 1bqz h ALA 71 Cb 0.33 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.13 1bqz h ALA 71 CO 0.02 0.94 0.41 0.00 0.00 0.00 0.00 179.25 180.62 1bqz h ALA 72 N 0.56 1.57 -0.00 0.00 0.00 -1.75 0.42 119.26 120.06 1bqz h ALA 72 Ca -0.14 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.77 1bqz h ALA 72 Cb 1.96 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.76 1bqz h ALA 72 CO 0.21 -0.46 -0.55 1.19 0.00 0.00 0.00 179.25 179.64 1bqz n PHE 73 N -3.06 0.00 -3.32 0.00 3.01 -1.21 -5.03 117.46 107.86 1bqz n PHE 73 Ca 0.01 0.00 -0.09 0.00 1.01 0.00 0.00 57.45 58.37 1bqz n PHE 73 Cb 0.48 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.96 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 -1.14 -1.41 -3.40 -1.08 1.02 0.15 -3.30 120.64 111.48 1bqz n GLU 74 Ca 0.03 1.20 -0.18 0.00 -0.02 0.00 0.00 57.16 58.20 1bqz n GLU 74 Cb 0.21 -4.63 0.07 0.00 -0.02 0.00 0.00 31.44 27.07 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 -2.19 -3.98 -2.03 3.49 6.02 -1.24 -4.98 117.38 112.47 1bqz n GLN 75 Ca -0.10 0.80 -0.30 0.00 -0.01 0.00 0.00 57.00 57.39 1bqz n GLN 75 Cb 0.57 -5.64 0.02 0.00 1.02 0.00 0.00 30.24 26.21 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 -3.84 1.62 0.00 1.08 0.00 -1.21 -5.19 107.32 99.78 1bqz s GLY 76 Ca 0.25 -0.26 0.00 0.00 0.00 0.00 0.00 44.72 44.71 1bqz s GLY 76 CO 0.75 0.02 0.00 0.61 0.00 0.00 0.00 173.10 174.48