#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sqb s SER 7 N 0.00 4.77 0.21 6.55 0.15 -1.26 -5.02 113.70 119.09 1sqb s SER 7 Ca 0.00 -0.43 -0.10 0.00 0.70 0.00 0.00 55.95 56.12 1sqb s SER 7 Cb 0.00 -1.00 0.18 0.00 -1.71 0.00 0.00 66.02 63.48 1sqb s SER 7 CO 0.00 0.07 1.87 0.00 1.20 0.00 0.00 173.24 176.38 1sqb h ALA 8 N 2.51 0.95 0.00 5.45 0.00 -2.06 0.11 119.26 126.22 1sqb h ALA 8 Ca -0.47 -0.04 -0.09 0.00 0.00 0.00 0.00 54.91 54.31 1sqb h ALA 8 Cb 1.21 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.72 1sqb h ALA 8 CO 0.58 0.31 -0.47 0.66 0.00 0.00 0.00 179.25 180.34 1sqb h SER 9 N 0.96 0.00 1.88 0.00 4.64 -1.98 -2.88 113.55 116.16 1sqb h SER 9 Ca 0.28 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.60 1sqb h SER 9 Cb -0.05 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.04 1sqb h SER 9 CO -0.08 0.44 0.00 0.28 -0.87 0.00 0.00 176.83 176.60 1sqb h SER 10 N 0.00 0.00 1.22 4.97 0.02 -1.91 -1.40 113.55 116.45 1sqb h SER 10 Ca -0.01 0.00 -0.12 0.00 -0.84 0.00 0.00 61.79 60.82 1sqb h SER 10 Cb 1.34 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.86 1sqb h SER 10 CO 0.06 0.00 -0.57 -0.09 -1.14 0.00 0.00 176.83 175.08 1sqb h ARG 11 N 0.00 0.00 0.12 3.45 2.43 -0.77 -3.05 114.38 116.56 1sqb h ARG 11 Ca 0.00 0.00 -0.30 0.00 -0.81 0.00 0.00 59.98 58.87 1sqb h ARG 11 Cb 0.94 0.00 0.03 0.00 -0.42 0.00 0.00 29.97 30.52 1sqb h ARG 11 CO 0.00 0.57 -1.25 2.35 -1.51 0.00 0.00 179.97 180.13 1sqb h TRP 12 N 0.00 0.98 -0.89 2.20 7.01 -1.28 -0.76 115.95 123.20 1sqb h TRP 12 Ca -0.01 -0.62 -0.00 0.00 2.11 0.00 0.00 58.89 60.37 1sqb h TRP 12 Cb 1.34 -0.08 -0.04 0.00 -2.10 0.00 0.00 29.16 28.28 1sqb h TRP 12 CO 0.00 1.46 0.54 1.25 -2.79 0.00 0.00 178.44 178.90 1sqb h LEU 13 N 0.26 1.07 -1.09 0.65 5.85 -1.38 -0.39 115.31 120.28 1sqb h LEU 13 Ca -0.19 -0.07 -0.08 0.00 0.84 0.00 0.00 57.88 58.38 1sqb h LEU 13 Cb 1.92 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 42.67 1sqb h LEU 13 CO 0.24 0.82 -0.28 -0.08 -0.34 0.00 0.00 178.44 178.80 1sqb h GLU 14 N 1.23 0.30 0.00 1.25 4.57 -1.53 -0.57 114.58 119.83 1sqb h GLU 14 Ca 0.32 -0.11 -0.18 0.00 -1.18 0.00 0.00 59.36 58.21 1sqb h GLU 14 Cb -0.05 -0.02 -0.03 0.00 -0.16 0.00 0.00 28.75 28.49 1sqb h GLU 14 CO -0.06 0.56 -0.86 0.78 -1.18 0.00 0.00 179.01 178.24 1sqb h GLY 15 N 1.02 0.00 1.85 1.92 0.00 -0.88 -1.97 103.07 105.00 1sqb h GLY 15 Ca 0.04 0.00 -0.16 0.00 0.00 0.00 0.00 47.33 47.21 1sqb h GLY 15 CO 0.05 0.00 -0.70 1.19 0.00 0.00 0.00 176.54 177.07 1sqb h ILE 16 N 0.00 1.45 -0.24 2.60 6.09 -0.89 -1.13 117.51 125.39 1sqb h ILE 16 Ca -0.01 -2.27 -0.19 0.00 -1.37 0.00 0.00 64.86 61.02 1sqb h ILE 16 Cb 1.59 2.21 0.00 0.00 0.47 0.00 0.00 36.82 41.09 1sqb h ILE 16 CO 0.11 0.66 -0.61 0.03 -3.07 0.00 0.00 178.15 175.27 1sqb h ARG 17 N 0.10 0.81 -0.26 2.19 3.08 -1.12 -1.32 114.38 117.86 1sqb h ARG 17 Ca -0.02 -0.55 -0.09 0.00 0.07 0.00 0.00 59.98 59.40 1sqb h ARG 17 Cb 1.25 0.08 -0.01 0.00 0.08 0.00 0.00 29.97 31.36 1sqb h ARG 17 CO 0.10 1.17 -0.22 -0.22 -1.07 0.00 0.00 179.97 179.74 1sqb h LYS 18 N 0.60 0.48 0.15 0.04 3.64 -1.31 -1.05 116.57 119.12 1sqb h LYS 18 Ca -0.00 -0.17 -0.01 0.00 -1.27 0.00 0.00 60.65 59.20 1sqb h LYS 18 Cb 1.21 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 33.00 1sqb h LYS 18 CO 0.13 0.68 -0.07 2.35 -2.27 0.00 0.00 179.45 180.26 1sqb h TRP 19 N 0.43 -0.19 -0.30 1.91 7.01 -1.07 -2.17 115.95 121.57 1sqb h TRP 19 Ca 0.07 -0.00 -0.00 0.00 2.11 0.00 0.00 58.89 61.06 1sqb h TRP 19 Cb 0.62 0.06 -0.01 0.00 -2.10 0.00 0.00 29.16 27.73 1sqb h TRP 19 CO 0.02 -0.01 0.19 -0.92 -2.79 0.00 0.00 178.44 174.93 1sqb h TYR 20 N -0.33 0.39 -0.75 2.65 3.20 -1.13 -0.52 116.97 120.49 1sqb h TYR 20 Ca -0.02 0.00 0.16 0.00 3.14 0.00 0.00 58.73 62.01 1sqb h TYR 20 Cb 0.26 -0.13 -0.11 0.00 1.54 0.00 0.00 36.73 38.30 1sqb h TYR 20 CO -0.03 0.28 0.24 -0.92 -1.64 0.00 0.00 178.16 176.09 1sqb h TYR 21 N 0.39 0.39 -0.06 -3.82 5.03 -1.20 0.36 116.97 118.07 1sqb h TYR 21 Ca 0.11 0.04 -0.15 0.00 2.58 0.00 0.00 58.73 61.31 1sqb h TYR 21 Cb -0.01 -0.06 -0.01 0.00 1.55 0.00 0.00 36.73 38.20 1sqb h TYR 21 CO -0.05 -0.03 -0.63 -0.91 -1.32 0.00 0.00 178.16 175.23 1sqb h ASN 22 N 0.34 0.25 -0.05 -2.11 4.21 -0.86 -2.97 115.58 114.39 1sqb h ASN 22 Ca 0.43 -0.15 -0.21 0.00 1.21 0.00 0.00 56.30 57.58 1sqb h ASN 22 Cb 0.71 -0.07 0.01 0.00 -1.12 0.00 0.00 38.32 37.84 1sqb h ASN 22 CO -0.47 0.81 -0.76 0.00 -1.29 0.00 0.00 177.43 175.71 1sqb h ALA 23 N 1.19 0.39 -0.89 -0.83 0.00 0.40 -3.05 119.26 116.46 1sqb h ALA 23 Ca -0.01 -0.60 0.09 0.00 0.00 0.00 0.00 54.91 54.39 1sqb h ALA 23 Cb 1.14 -0.03 -0.07 0.00 0.00 0.00 0.00 17.79 18.83 1sqb h ALA 23 CO 0.10 0.70 0.54 0.00 0.00 0.00 0.00 179.25 180.59 1sqb h ALA 24 N 0.66 1.28 -0.72 0.00 0.00 -0.34 -3.47 119.26 116.67 1sqb h ALA 24 Ca -0.05 0.02 -0.28 0.00 0.00 0.00 0.00 54.91 54.61 1sqb h ALA 24 Cb 1.38 -0.18 -0.10 0.00 0.00 0.00 0.00 17.79 18.88 1sqb h ALA 24 CO 0.15 0.18 -0.26 0.41 0.00 0.00 0.00 179.25 179.74 1sqb n GLY 25 N -1.33 1.33 0.19 0.00 0.00 -1.13 -4.89 105.19 99.37 1sqb n GLY 25 Ca 0.15 -0.38 0.05 0.00 0.00 0.00 0.00 46.02 45.84 1sqb n GLY 25 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 173.32 173.59 1sqb h PHE 26 N 0.00 0.00 0.00 1.61 -5.15 -1.89 -2.75 116.94 108.76 1sqb h PHE 26 Ca -0.28 0.00 -0.01 0.00 -0.20 0.00 0.00 57.97 57.48 1sqb h PHE 26 Cb 0.91 0.00 -0.00 0.00 0.22 0.00 0.00 35.95 37.07 1sqb h PHE 26 CO 0.38 0.36 -0.05 -2.95 -2.00 0.00 0.00 178.31 174.05 1sqb h ASN 27 N 0.00 0.00 0.90 -0.68 -1.07 -1.87 -0.77 115.58 112.09 1sqb h ASN 27 Ca -0.00 0.00 -0.02 0.00 0.07 0.00 0.00 56.30 56.35 1sqb h ASN 27 Cb 0.78 0.00 -0.00 0.00 -2.07 0.00 0.00 38.32 37.03 1sqb h ASN 27 CO 0.05 0.05 -0.09 0.11 0.07 0.00 0.00 177.43 177.62 1sqb h LYS 28 N 0.00 0.00 -0.55 4.14 1.57 -1.83 -0.95 116.57 118.96 1sqb h LYS 28 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1sqb h LYS 28 Cb 0.14 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.45 1sqb h LYS 28 CO 0.01 0.09 0.00 1.28 -0.57 0.00 0.00 179.45 180.25 1sqb n LEU 29 N -3.24 4.58 0.00 2.94 4.32 -0.35 -0.26 117.00 124.99 1sqb n LEU 29 Ca 0.00 -2.56 0.00 0.00 -0.02 0.00 0.00 56.01 53.44 1sqb n LEU 29 Cb 0.33 -0.55 0.00 0.00 -1.62 0.00 0.00 43.42 41.58 1sqb n LEU 29 CO 0.29 0.76 0.00 0.61 -1.22 0.00 0.00 177.39 177.83 1sqb n GLY 30 N 0.74 0.40 3.80 -0.72 0.00 -0.38 -4.18 105.19 104.85 1sqb n GLY 30 Ca 0.24 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.93 1sqb n GLY 30 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1sqb s LEU 31 N 0.00 3.70 0.32 0.99 1.43 -0.87 -4.77 118.68 119.49 1sqb s LEU 31 Ca 0.00 1.85 0.01 0.00 -1.03 0.00 0.00 54.13 54.97 1sqb s LEU 31 Cb 0.00 -4.55 -0.03 0.00 0.03 0.00 0.00 46.19 41.64 1sqb s LEU 31 CO 0.00 -0.90 0.51 -0.04 0.23 0.00 0.00 176.35 176.15 1sqb s MET 32 N -3.61 3.48 0.20 1.70 -1.94 -1.26 -4.07 119.30 113.80 1sqb s MET 32 Ca 0.65 -0.42 -0.11 0.00 -1.71 0.00 0.00 55.69 54.11 1sqb s MET 32 Cb -0.16 -2.71 0.27 0.00 2.01 0.00 0.00 34.83 34.24 1sqb s MET 32 CO 0.27 0.21 1.71 -0.09 -0.01 0.00 0.00 175.02 177.11 1sqb h ARG 33 N 0.86 0.25 0.00 2.03 2.43 -1.93 -2.53 114.38 115.48 1sqb h ARG 33 Ca -0.50 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 58.65 1sqb h ARG 33 Cb 1.22 -0.06 0.00 0.00 -0.42 0.00 0.00 29.97 30.71 1sqb h ARG 33 CO 0.61 0.17 0.00 -0.44 -1.51 0.00 0.00 179.97 178.80 1sqb h ASP 34 N 0.26 0.00 -0.09 -3.80 3.32 -1.96 -0.58 116.42 113.57 1sqb h ASP 34 Ca 0.30 0.00 -0.05 0.00 0.02 0.00 0.00 57.03 57.29 1sqb h ASP 34 Cb 0.43 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.97 1sqb h ASP 34 CO -0.38 0.00 -0.09 0.44 -1.72 0.00 0.00 179.24 177.49 1sqb h ASP 35 N 0.00 0.36 0.41 6.45 5.19 -1.85 -3.22 116.42 123.76 1sqb h ASP 35 Ca 0.00 -0.08 0.00 0.00 -0.62 0.00 0.00 57.03 56.33 1sqb h ASP 35 Cb 0.38 -0.10 0.00 0.00 0.18 0.00 0.00 39.33 39.80 1sqb h ASP 35 CO 0.00 0.49 -0.28 0.35 -3.12 0.00 0.00 179.24 176.68 1sqb n THR 36 N -4.26 0.00 -1.75 0.35 -2.24 -0.22 -4.93 114.28 101.23 1sqb n THR 36 Ca 0.00 -0.06 -0.41 0.00 -2.27 0.00 0.00 64.05 61.32 1sqb n THR 36 Cb 0.27 0.16 0.01 0.00 -2.10 0.00 0.00 70.33 68.67 1sqb n THR 36 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1sqb n ILE 37 N -1.06 2.48 -2.17 2.28 3.06 -1.22 -4.97 119.36 117.76 1sqb n ILE 37 Ca 0.10 -0.50 -0.41 0.00 -2.50 0.00 0.00 62.75 59.44 1sqb n ILE 37 Cb 0.33 -1.81 -0.03 0.00 0.54 0.00 0.00 39.64 38.67 1sqb n ILE 37 CO 0.00 0.00 0.00 -2.28 -2.50 0.00 0.00 176.55 171.77 1sqb s HIS 38 N -1.17 3.19 -0.91 9.51 5.65 -1.26 -4.97 115.29 125.33 1sqb s HIS 38 Ca 0.59 1.23 -0.21 0.00 0.25 0.00 0.00 55.06 56.91 1sqb s HIS 38 Cb -0.48 -3.65 0.09 0.00 -1.18 0.00 0.00 32.58 27.37 1sqb s HIS 38 CO 0.60 -1.98 1.21 -1.21 -0.65 0.00 0.00 174.74 172.70 1sqb s GLU 39 N -0.47 3.51 0.00 2.88 2.02 -1.26 -4.86 118.70 120.52 1sqb s GLU 39 Ca 0.56 -1.35 0.00 0.00 0.02 0.00 0.00 54.97 54.19 1sqb s GLU 39 Cb -0.38 -4.92 0.00 0.00 0.10 0.00 0.00 34.13 28.93 1sqb s GLU 39 CO 0.41 -1.93 0.00 0.27 0.02 0.00 0.00 175.26 174.03 1sqb n ASN 40 N 7.59 0.00 -0.09 -0.19 0.23 -1.26 -4.87 115.26 116.66 1sqb n ASN 40 Ca 0.22 -0.88 -0.12 0.00 -0.53 0.00 0.00 54.58 53.27 1sqb n ASN 40 Cb 0.49 0.00 -0.04 0.00 -2.08 0.00 0.00 39.78 38.15 1sqb n ASN 40 CO 0.00 0.00 0.00 0.44 -0.93 0.00 0.00 177.26 176.77 1sqb h ASP 41 N 0.00 0.50 -0.52 0.53 3.32 -1.99 0.21 116.42 118.47 1sqb h ASP 41 Ca 0.00 -0.37 0.01 0.00 0.02 0.00 0.00 57.03 56.70 1sqb h ASP 41 Cb 0.00 -0.14 -0.03 0.00 0.22 0.00 0.00 39.33 39.39 1sqb h ASP 41 CO 0.00 0.75 0.34 0.44 -1.72 0.00 0.00 179.24 179.04 1sqb h ASP 42 N 0.24 0.57 -0.07 6.45 3.32 -1.97 -2.28 116.42 122.69 1sqb h ASP 42 Ca 0.06 -0.01 -0.00 0.00 0.02 0.00 0.00 57.03 57.10 1sqb h ASP 42 Cb 0.53 -0.14 -0.00 0.00 0.22 0.00 0.00 39.33 39.94 1sqb h ASP 42 CO 0.03 0.41 0.03 0.58 -1.72 0.00 0.00 179.24 178.57 1sqb h VAL 43 N 0.68 1.10 -0.76 -1.35 2.07 -1.86 -1.57 116.25 114.56 1sqb h VAL 43 Ca 0.20 -0.27 0.12 0.00 0.82 0.00 0.00 66.70 67.56 1sqb h VAL 43 Cb -0.05 1.16 -0.08 0.00 -1.52 0.00 0.00 31.29 30.79 1sqb h VAL 43 CO -0.06 0.08 0.37 0.11 0.02 0.00 0.00 177.57 178.09 1sqb h LYS 44 N 0.00 0.56 -0.53 1.57 1.57 -0.43 0.02 116.57 119.33 1sqb h LYS 44 Ca 0.02 -0.03 -0.09 0.00 -1.87 0.00 0.00 60.65 58.68 1sqb h LYS 44 Cb 0.10 -0.13 -0.02 0.00 0.08 0.00 0.00 32.23 32.27 1sqb h LYS 44 CO -0.00 0.37 -0.01 1.49 -0.57 0.00 0.00 179.45 180.72 1sqb h GLU 45 N 0.57 0.95 -0.38 3.15 4.57 -1.27 -0.68 114.58 121.48 1sqb h GLU 45 Ca 0.40 -0.31 -0.01 0.00 -1.18 0.00 0.00 59.36 58.26 1sqb h GLU 45 Cb 0.51 -0.08 -0.02 0.00 -0.16 0.00 0.00 28.75 29.00 1sqb h GLU 45 CO -0.33 0.97 0.20 0.00 -1.18 0.00 0.00 179.01 178.67 1sqb h ALA 46 N 0.94 0.48 -0.34 2.92 0.00 -0.11 0.14 119.26 123.30 1sqb h ALA 46 Ca 0.15 -0.09 0.05 0.00 0.00 0.00 0.00 54.91 55.02 1sqb h ALA 46 Cb 0.55 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 18.15 1sqb h ALA 46 CO 0.03 0.02 0.09 0.82 0.00 0.00 0.00 179.25 180.21 1sqb h ILE 47 N 0.48 0.86 -0.90 0.00 1.08 -0.85 -1.48 117.51 116.69 1sqb h ILE 47 Ca 0.13 -0.07 0.10 0.00 -0.39 0.00 0.00 64.86 64.63 1sqb h ILE 47 Cb 0.08 0.62 -0.08 0.00 -3.07 0.00 0.00 36.82 34.37 1sqb h ILE 47 CO -0.02 0.04 0.54 -0.09 -0.69 0.00 0.00 178.15 177.93 1sqb h ARG 48 N 0.21 0.86 0.00 2.37 2.43 -0.73 -1.65 114.38 117.88 1sqb h ARG 48 Ca 0.16 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.28 1sqb h ARG 48 Cb 0.16 -0.19 0.00 0.00 -0.42 0.00 0.00 29.97 29.52 1sqb h ARG 48 CO -0.19 0.57 0.00 0.54 -1.51 0.00 0.00 179.97 179.37 1sqb n ARG 49 N -4.69 0.30 -2.26 0.20 1.74 0.46 -4.88 116.66 107.53 1sqb n ARG 49 Ca 0.16 0.05 -0.36 0.00 -0.77 0.00 0.00 57.85 56.93 1sqb n ARG 49 Cb 0.31 -1.50 -0.00 0.00 -1.02 0.00 0.00 32.46 30.24 1sqb n ARG 49 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1sqb s LEU 50 N -2.65 3.84 1.01 0.55 1.43 -0.62 -5.04 118.68 117.20 1sqb s LEU 50 Ca 0.22 2.22 -0.12 0.00 -1.03 0.00 0.00 54.13 55.41 1sqb s LEU 50 Cb 0.17 -4.47 0.20 0.00 0.03 0.00 0.00 46.19 42.12 1sqb s LEU 50 CO 0.40 -1.11 1.08 -2.84 0.23 0.00 0.00 176.35 174.11 1sqb s PRO 51 N -3.09 0.30 0.14 1.29 0.02 -1.26 -4.80 135.00 127.60 1sqb s PRO 51 Ca 0.70 0.63 -0.18 0.00 0.02 0.00 0.00 61.00 62.17 1sqb s PRO 51 Cb -0.25 -1.71 0.01 0.00 0.02 0.00 0.00 34.50 32.56 1sqb s PRO 51 CO 0.29 -2.84 1.75 1.49 -0.33 0.00 0.00 177.00 177.36 1sqb h GLU 52 N -1.98 0.23 -0.63 5.54 4.57 -1.99 -2.11 114.58 118.22 1sqb h GLU 52 Ca -0.55 -0.01 -0.05 0.00 -1.18 0.00 0.00 59.36 57.56 1sqb h GLU 52 Cb 1.32 -0.05 -0.03 0.00 -0.16 0.00 0.00 28.75 29.83 1sqb h GLU 52 CO 0.56 0.16 0.18 -2.95 -1.18 0.00 0.00 179.01 175.77 1sqb h ASN 53 N 0.24 0.90 -0.09 1.04 -1.07 -1.99 -0.92 115.58 113.68 1sqb h ASN 53 Ca 0.13 -0.16 -0.18 0.00 0.07 0.00 0.00 56.30 56.16 1sqb h ASN 53 Cb 0.09 -0.23 0.01 0.00 -2.07 0.00 0.00 38.32 36.11 1sqb h ASN 53 CO -0.12 0.85 -0.63 -0.07 0.07 0.00 0.00 177.43 177.53 1sqb h LEU 54 N 0.93 0.71 -0.61 6.14 3.38 -1.90 -2.02 115.31 121.94 1sqb h LEU 54 Ca 0.20 -0.66 0.01 0.00 0.09 0.00 0.00 57.88 57.52 1sqb h LEU 54 Cb 0.29 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 40.80 1sqb h LEU 54 CO -0.01 1.27 0.40 0.22 0.09 0.00 0.00 178.44 180.41 1sqb h TYR 55 N 0.21 0.77 -0.59 1.13 5.03 -1.27 0.11 116.97 122.37 1sqb h TYR 55 Ca -0.05 0.02 -0.10 0.00 2.58 0.00 0.00 58.73 61.17 1sqb h TYR 55 Cb 1.28 -0.26 -0.02 0.00 1.55 0.00 0.00 36.73 39.28 1sqb h TYR 55 CO 0.11 0.48 -0.03 -0.44 -1.32 0.00 0.00 178.16 176.97 1sqb h ASP 56 N 0.83 1.03 -0.08 -2.11 3.32 -1.11 0.05 116.42 118.35 1sqb h ASP 56 Ca 0.22 -0.30 -0.01 0.00 0.02 0.00 0.00 57.03 56.96 1sqb h ASP 56 Cb -0.10 -0.28 -0.00 0.00 0.22 0.00 0.00 39.33 39.17 1sqb h ASP 56 CO -0.05 1.10 0.01 0.44 -1.72 0.00 0.00 179.24 179.02 1sqb h ASP 57 N 0.95 0.13 -0.28 6.45 3.32 -1.10 -2.21 116.42 123.68 1sqb h ASP 57 Ca 0.16 -0.26 0.07 0.00 0.02 0.00 0.00 57.03 57.02 1sqb h ASP 57 Cb 0.59 -0.03 -0.08 0.00 0.22 0.00 0.00 39.33 40.03 1sqb h ASP 57 CO 0.04 0.35 -0.29 -0.09 -1.72 0.00 0.00 179.24 177.53 1sqb h ARG 58 N -0.11 -0.27 -0.65 3.56 2.43 -0.61 0.25 114.38 118.98 1sqb h ARG 58 Ca 0.02 0.02 0.13 0.00 -0.81 0.00 0.00 59.98 59.34 1sqb h ARG 58 Cb 0.28 0.06 -0.09 0.00 -0.42 0.00 0.00 29.97 29.80 1sqb h ARG 58 CO 0.00 -0.18 0.17 0.28 -1.51 0.00 0.00 179.97 178.73 1sqb h VAL 59 N -0.28 0.62 -0.43 0.20 2.07 -0.93 -0.84 116.25 116.66 1sqb h VAL 59 Ca 0.14 -0.10 -0.10 0.00 0.82 0.00 0.00 66.70 67.46 1sqb h VAL 59 Cb 0.51 0.30 -0.01 0.00 -1.52 0.00 0.00 31.29 30.56 1sqb h VAL 59 CO -0.44 0.05 -0.13 0.15 0.02 0.00 0.00 177.57 177.23 1sqb h PHE 60 N 0.29 0.97 -0.57 1.57 3.57 -0.71 0.42 116.94 122.48 1sqb h PHE 60 Ca 0.35 -0.22 -0.03 0.00 3.53 0.00 0.00 57.97 61.61 1sqb h PHE 60 Cb 0.54 -0.23 -0.03 0.00 2.79 0.00 0.00 35.95 39.02 1sqb h PHE 60 CO -0.24 0.98 0.26 0.00 -2.23 0.00 0.00 178.31 177.08 1sqb h ARG 61 N 0.69 0.83 -0.55 1.11 3.08 -0.32 0.13 114.38 119.35 1sqb h ARG 61 Ca 0.11 -0.13 -0.03 0.00 0.07 0.00 0.00 59.98 60.00 1sqb h ARG 61 Cb 0.68 -0.14 -0.03 0.00 0.08 0.00 0.00 29.97 30.56 1sqb h ARG 61 CO 0.05 0.70 0.25 0.82 -1.07 0.00 0.00 179.97 180.71 1sqb h ILE 62 N 0.78 1.21 -0.03 2.04 1.08 -1.05 -1.80 117.51 119.74 1sqb h ILE 62 Ca 0.19 -0.62 0.01 0.00 -0.39 0.00 0.00 64.86 64.06 1sqb h ILE 62 Cb 0.15 0.59 -0.01 0.00 -3.07 0.00 0.00 36.82 34.48 1sqb h ILE 62 CO -0.02 0.24 -0.05 0.50 -0.69 0.00 0.00 178.15 178.14 1sqb h LYS 63 N 0.75 -0.06 -0.60 2.37 3.64 -0.53 -1.36 116.57 120.78 1sqb h LYS 63 Ca 0.19 0.00 0.04 0.00 -1.27 0.00 0.00 60.65 59.61 1sqb h LYS 63 Cb 0.15 0.01 -0.05 0.00 -0.41 0.00 0.00 32.23 31.94 1sqb h LYS 63 CO -0.02 -0.04 0.34 -0.09 -2.27 0.00 0.00 179.45 177.37 1sqb h ARG 64 N -0.07 0.64 -0.16 1.90 2.43 -0.60 -1.83 114.38 116.69 1sqb h ARG 64 Ca 0.03 -0.04 -0.15 0.00 -0.81 0.00 0.00 59.98 59.01 1sqb h ARG 64 Cb 0.11 -0.14 -0.01 0.00 -0.42 0.00 0.00 29.97 29.51 1sqb h ARG 64 CO -0.07 0.42 -0.54 0.00 -1.51 0.00 0.00 179.97 178.27 1sqb h ALA 65 N 1.29 0.76 -0.15 2.80 0.00 -1.07 -1.43 119.26 121.47 1sqb h ALA 65 Ca 0.26 -0.51 -0.09 0.00 0.00 0.00 0.00 54.91 54.57 1sqb h ALA 65 Cb 0.10 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 1sqb h ALA 65 CO -0.14 0.69 -0.30 -0.07 0.00 0.00 0.00 179.25 179.42 1sqb h LEU 66 N 0.37 0.29 -0.20 0.00 3.38 -0.93 0.49 115.31 118.70 1sqb h LEU 66 Ca 0.01 -0.10 -0.07 0.00 0.09 0.00 0.00 57.88 57.81 1sqb h LEU 66 Cb 1.06 -0.08 -0.00 0.00 0.09 0.00 0.00 40.66 41.73 1sqb h LEU 66 CO 0.10 0.59 -0.15 -0.78 0.09 0.00 0.00 178.44 178.29 1sqb h ASP 67 N 0.25 0.48 -0.44 -0.43 3.58 -1.06 -1.62 116.42 117.17 1sqb h ASP 67 Ca 0.03 -0.45 -0.03 0.00 0.42 0.00 0.00 57.03 57.01 1sqb h ASP 67 Cb 0.67 -0.13 -0.02 0.00 1.72 0.00 0.00 39.33 41.57 1sqb h ASP 67 CO 0.05 0.82 0.15 -0.07 -2.88 0.00 0.00 179.24 177.31 1sqb h LEU 68 N 0.13 0.64 -0.45 2.28 3.38 -1.17 -2.02 115.31 118.10 1sqb h LEU 68 Ca 0.04 -0.19 0.07 0.00 0.09 0.00 0.00 57.88 57.88 1sqb h LEU 68 Cb 0.67 -0.17 -0.06 0.00 0.09 0.00 0.00 40.66 41.19 1sqb h LEU 68 CO 0.04 0.66 0.11 -1.28 0.09 0.00 0.00 178.44 178.06 1sqb h SER 69 N 0.58 0.06 0.08 -0.43 0.87 -0.81 0.16 113.55 114.05 1sqb h SER 69 Ca 0.14 0.07 -0.00 0.00 -1.23 0.00 0.00 61.79 60.77 1sqb h SER 69 Cb 0.24 0.08 -0.00 0.00 -0.44 0.00 0.00 62.40 62.28 1sqb h SER 69 CO -0.01 0.06 -0.06 -0.03 -0.53 0.00 0.00 176.83 176.27 1sqb h MET 70 N 0.26 -0.13 -0.01 2.24 1.85 -1.15 -1.97 114.93 116.01 1sqb h MET 70 Ca 0.22 0.01 0.00 0.00 -0.61 0.00 0.00 59.70 59.32 1sqb h MET 70 Cb 0.26 0.03 0.00 0.00 0.43 0.00 0.00 31.60 32.32 1sqb h MET 70 CO -0.26 -0.09 0.00 2.89 -0.40 0.00 0.00 176.91 179.05 1sqb n ARG 71 N -5.16 1.07 -2.60 0.39 1.85 -0.77 -4.90 116.66 106.54 1sqb n ARG 71 Ca -0.07 -0.10 -0.19 0.00 -1.00 0.00 0.00 57.85 56.48 1sqb n ARG 71 Cb 0.09 -1.33 0.00 0.00 -1.05 0.00 0.00 32.46 30.17 1sqb n ARG 71 CO 0.00 0.00 0.00 1.04 -0.01 0.00 0.00 177.63 178.66 1sqb n GLN 72 N -0.71 -2.58 -3.35 2.89 1.13 0.46 -5.01 117.38 110.21 1sqb n GLN 72 Ca 0.16 0.86 -0.22 0.00 -1.94 0.00 0.00 57.00 55.85 1sqb n GLN 72 Cb 0.10 -5.55 0.03 0.00 0.11 0.00 0.00 30.24 24.93 1sqb n GLN 72 CO 0.00 0.00 0.00 -1.14 -1.44 0.00 0.00 177.06 174.48 1sqb s GLN 73 N -5.24 2.31 0.09 -1.09 2.00 -0.66 -5.01 119.66 112.07 1sqb s GLN 73 Ca 0.09 -1.76 -0.02 0.00 -2.00 0.00 0.00 55.36 51.67 1sqb s GLN 73 Cb -0.04 -2.45 -0.04 0.00 0.80 0.00 0.00 33.01 31.28 1sqb s GLN 73 CO 0.11 -0.74 0.04 -1.50 -0.50 0.00 0.00 175.29 172.70 1sqb s ILE 74 N -2.69 0.16 0.61 -2.34 1.10 -1.26 -4.50 121.20 112.27 1sqb s ILE 74 Ca 0.52 -1.78 -0.14 0.00 -0.51 0.00 0.00 60.65 58.73 1sqb s ILE 74 Cb -0.05 -1.74 -0.03 0.00 0.15 0.00 0.00 42.46 40.79 1sqb s ILE 74 CO 0.32 -0.72 1.05 -0.76 -2.11 0.00 0.00 174.94 172.72 1sqb s LEU 75 N -2.97 3.42 0.48 8.50 1.43 0.64 -5.03 118.68 125.16 1sqb s LEU 75 Ca 0.14 1.71 -0.23 0.00 -1.03 0.00 0.00 54.13 54.73 1sqb s LEU 75 Cb 0.07 -4.52 -0.08 0.00 0.03 0.00 0.00 46.19 41.70 1sqb s LEU 75 CO -0.05 -1.12 1.17 -2.65 0.23 0.00 0.00 176.35 173.93 1sqb n PRO 76 N -2.25 1.55 -0.34 1.29 -0.02 -1.26 -4.89 135.00 129.08 1sqb n PRO 76 Ca 0.08 0.56 0.21 0.00 -2.02 0.00 0.00 63.50 62.34 1sqb n PRO 76 Cb 0.53 -2.31 0.46 0.00 -0.02 0.00 0.00 33.50 32.16 1sqb n PRO 76 CO 0.00 0.00 0.00 -0.22 1.98 0.00 0.00 175.50 177.26 1sqb h LYS 77 N 1.52 0.44 -0.05 -0.52 3.64 -1.97 -1.00 116.57 118.62 1sqb h LYS 77 Ca -0.48 -0.03 -0.07 0.00 -1.27 0.00 0.00 60.65 58.81 1sqb h LYS 77 Cb 1.32 -0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 33.03 1sqb h LYS 77 CO 0.57 0.29 -0.28 0.93 -2.27 0.00 0.00 179.45 178.69 1sqb h GLU 78 N 0.45 0.09 -0.04 1.90 3.07 -2.02 -2.87 114.58 115.17 1sqb h GLU 78 Ca 0.65 -0.03 0.00 0.00 -0.50 0.00 0.00 59.36 59.48 1sqb h GLU 78 Cb 1.46 -0.01 0.00 0.00 -0.84 0.00 0.00 28.75 29.36 1sqb h GLU 78 CO -0.42 0.37 0.00 1.04 -1.40 0.00 0.00 179.01 178.59 1sqb n GLN 79 N -4.18 1.43 -2.32 2.33 6.02 -0.38 -4.90 117.38 115.38 1sqb n GLN 79 Ca -0.02 -0.63 -0.39 0.00 -0.01 0.00 0.00 57.00 55.95 1sqb n GLN 79 Cb 0.35 -1.44 -0.03 0.00 1.02 0.00 0.00 30.24 30.14 1sqb n GLN 79 CO 0.00 0.00 0.00 -1.58 -1.01 0.00 0.00 177.06 174.47 1sqb s TRP 80 N -1.95 3.22 -0.13 1.08 0.51 -1.09 -4.64 118.94 115.94 1sqb s TRP 80 Ca 0.38 1.57 -0.29 0.00 -2.12 0.00 0.00 56.10 55.64 1sqb s TRP 80 Cb 0.19 -3.41 -0.04 0.00 -0.81 0.00 0.00 33.47 29.40 1sqb s TRP 80 CO 0.31 -1.17 1.62 0.99 -0.51 0.00 0.00 176.95 178.19 1sqb s THR 81 N -1.30 3.67 0.07 2.01 2.01 -1.09 -4.96 115.64 116.05 1sqb s THR 81 Ca 0.52 0.79 -0.30 0.00 0.31 0.00 0.00 61.69 63.00 1sqb s THR 81 Cb -0.32 -3.58 -0.05 0.00 0.01 0.00 0.00 72.50 68.55 1sqb s THR 81 CO 0.42 -0.15 1.02 -0.54 -0.69 0.00 0.00 174.62 174.67 1sqb s LYS 82 N 4.29 4.60 0.29 4.92 1.02 -1.26 -4.78 119.74 128.83 1sqb s LYS 82 Ca 0.72 1.52 0.04 0.00 0.02 0.00 0.00 55.97 58.27 1sqb s LYS 82 Cb -0.29 -3.39 0.73 0.00 -0.52 0.00 0.00 37.83 34.36 1sqb s LYS 82 CO 0.28 0.04 1.71 -0.92 -0.92 0.00 0.00 175.35 175.54 1sqb h TYR 83 N 6.12 0.74 -0.58 3.18 3.20 -1.96 -1.18 116.97 126.48 1sqb h TYR 83 Ca -0.42 0.04 -0.04 0.00 3.14 0.00 0.00 58.73 61.45 1sqb h TYR 83 Cb 1.21 -0.18 -0.03 0.00 1.54 0.00 0.00 36.73 39.27 1sqb h TYR 83 CO 0.66 0.00 0.22 0.93 -1.64 0.00 0.00 178.16 178.33 1sqb h GLU 84 N 0.46 0.85 -0.54 1.82 3.07 -2.02 -3.06 114.58 115.17 1sqb h GLU 84 Ca 0.56 -0.14 -0.18 0.00 -0.50 0.00 0.00 59.36 59.11 1sqb h GLU 84 Cb 1.04 -0.15 -0.11 0.00 -0.84 0.00 0.00 28.75 28.70 1sqb h GLU 84 CO -0.50 0.71 0.14 -0.85 -1.40 0.00 0.00 179.01 177.12 1sqb n GLU 85 N -4.31 2.91 -2.57 2.33 0.28 -0.51 -4.90 120.64 113.86 1sqb n GLU 85 Ca 0.05 -3.05 -0.41 0.00 -0.16 0.00 0.00 57.16 53.59 1sqb n GLU 85 Cb 0.18 -2.02 -0.03 0.00 1.43 0.00 0.00 31.44 31.00 1sqb n GLU 85 CO 0.00 0.00 0.00 0.34 -0.16 0.00 0.00 177.13 177.31 1sqb s ASP 86 N -1.69 6.29 -0.23 -1.84 -1.08 -0.79 -4.83 116.67 112.51 1sqb s ASP 86 Ca 0.49 -0.86 -0.29 0.00 -0.52 0.00 0.00 52.55 51.37 1sqb s ASP 86 Cb 0.41 -2.56 -0.01 0.00 -1.46 0.00 0.00 42.92 39.30 1sqb s ASP 86 CO 0.09 -1.69 1.40 -0.54 0.52 0.00 0.00 175.17 174.94 1sqb s LYS 87 N 5.35 3.98 -1.42 4.34 -0.14 -1.26 -4.93 119.74 125.66 1sqb s LYS 87 Ca 0.38 1.53 -0.11 0.00 -1.36 0.00 0.00 55.97 56.42 1sqb s LYS 87 Cb -0.05 -3.90 0.06 0.00 -1.68 0.00 0.00 37.83 32.26 1sqb s LYS 87 CO 0.05 -1.04 2.27 0.45 -0.76 0.00 0.00 175.35 176.33 1sqb n SER 88 N 7.54 5.54 0.19 2.83 2.88 -1.26 -4.80 113.62 126.55 1sqb n SER 88 Ca 0.16 -2.91 0.05 0.00 -1.33 0.00 0.00 58.87 54.85 1sqb n SER 88 Cb 0.45 -1.56 0.52 0.00 -0.75 0.00 0.00 64.21 62.88 1sqb n SER 88 CO 0.00 0.00 0.00 0.10 -1.23 0.00 0.00 175.04 173.91 1sqb h TYR 89 N 5.59 0.10 0.00 0.66 -0.00 -1.99 -2.69 116.97 118.64 1sqb h TYR 89 Ca 0.59 -0.00 -0.10 0.00 -0.00 0.00 0.00 58.73 59.21 1sqb h TYR 89 Cb 0.54 -0.03 -0.01 0.00 -0.00 0.00 0.00 36.73 37.22 1sqb h TYR 89 CO 1.49 0.17 -0.47 -0.07 -0.00 0.00 0.00 178.16 179.28 1sqb h LEU 90 N 0.10 0.00 -0.53 0.10 3.38 -1.94 -3.42 115.31 113.00 1sqb h LEU 90 Ca 0.02 0.00 0.05 0.00 0.09 0.00 0.00 57.88 58.04 1sqb h LEU 90 Cb 0.19 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 40.88 1sqb h LEU 90 CO 0.01 0.47 -0.31 1.21 0.09 0.00 0.00 178.44 179.90 1sqb n GLU 91 N -3.21 -0.23 0.06 1.13 4.07 -1.01 -0.60 120.64 120.84 1sqb n GLU 91 Ca 0.02 1.27 0.01 0.00 -0.06 0.00 0.00 57.16 58.39 1sqb n GLU 91 Cb 0.72 -1.87 0.33 0.00 -0.06 0.00 0.00 31.44 30.56 1sqb n GLU 91 CO 0.00 0.00 0.00 -1.00 -0.06 0.00 0.00 177.13 176.07 1sqb h PRO 92 N 0.00 0.39 0.10 5.31 0.13 -1.81 -0.64 132.00 135.48 1sqb h PRO 92 Ca 0.08 -0.09 -0.00 0.00 -0.87 0.00 0.00 66.00 65.12 1sqb h PRO 92 Cb 0.22 -0.05 0.00 0.00 0.13 0.00 0.00 31.00 31.30 1sqb h PRO 92 CO -0.50 0.48 -0.05 1.88 -0.23 0.00 0.00 178.00 179.59 1sqb h TYR 93 N 0.37 -0.12 -0.45 1.56 0.05 -1.69 -1.78 116.97 114.91 1sqb h TYR 93 Ca 0.08 -0.00 -0.05 0.00 0.05 0.00 0.00 58.73 58.80 1sqb h TYR 93 Cb 0.38 0.04 -0.02 0.00 1.01 0.00 0.00 36.73 38.14 1sqb h TYR 93 CO 0.01 0.17 0.06 1.25 -1.05 0.00 0.00 178.16 178.60 1sqb h LEU 94 N -0.41 0.65 -0.74 3.88 5.85 -0.58 -1.58 115.31 122.38 1sqb h LEU 94 Ca -0.01 -0.12 -0.09 0.00 0.84 0.00 0.00 57.88 58.49 1sqb h LEU 94 Cb 0.34 -0.17 -0.02 0.00 0.37 0.00 0.00 40.66 41.18 1sqb h LEU 94 CO 0.02 0.68 -0.06 0.50 -0.34 0.00 0.00 178.44 179.25 1sqb h LYS 95 N 0.67 0.91 -0.19 1.25 3.64 -1.06 -2.18 116.57 119.60 1sqb h LYS 95 Ca 0.14 -0.29 -0.13 0.00 -1.27 0.00 0.00 60.65 59.10 1sqb h LYS 95 Cb 0.32 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 32.05 1sqb h LYS 95 CO 0.01 0.94 -0.43 1.49 -2.27 0.00 0.00 179.45 179.18 1sqb h GLU 96 N 0.83 0.47 -0.30 1.90 4.57 -0.69 -0.96 114.58 120.39 1sqb h GLU 96 Ca 0.14 -0.24 -0.12 0.00 -1.18 0.00 0.00 59.36 57.96 1sqb h GLU 96 Cb 0.57 0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 29.16 1sqb h GLU 96 CO 0.03 0.81 -0.28 0.28 -1.18 0.00 0.00 179.01 178.68 1sqb h VAL 97 N 0.38 1.30 -0.40 0.32 2.07 -1.14 -1.85 116.25 116.94 1sqb h VAL 97 Ca 0.03 -1.44 -0.11 0.00 0.82 0.00 0.00 66.70 66.00 1sqb h VAL 97 Cb 0.92 1.54 -0.01 0.00 -1.52 0.00 0.00 31.29 32.21 1sqb h VAL 97 CO 0.08 0.47 -0.20 0.40 0.02 0.00 0.00 177.57 178.33 1sqb h ILE 98 N 0.48 1.27 -0.61 4.57 2.04 -1.37 -0.41 117.51 123.48 1sqb h ILE 98 Ca 0.05 -1.30 0.04 0.00 1.00 0.00 0.00 64.86 64.65 1sqb h ILE 98 Cb 0.85 1.18 -0.04 0.00 -0.74 0.00 0.00 36.82 38.06 1sqb h ILE 98 CO 0.07 0.44 0.36 0.03 0.00 0.00 0.00 178.15 179.05 1sqb h ARG 99 N 0.68 0.67 -0.25 2.37 3.08 -1.03 0.80 114.38 120.70 1sqb h ARG 99 Ca 0.10 -0.04 -0.10 0.00 0.07 0.00 0.00 59.98 60.01 1sqb h ARG 99 Cb 0.70 -0.15 -0.00 0.00 0.08 0.00 0.00 29.97 30.60 1sqb h ARG 99 CO 0.05 0.45 -0.23 0.93 -1.07 0.00 0.00 179.97 180.10 1sqb h GLU 100 N 0.69 0.59 -0.32 0.04 5.08 -0.98 -2.44 114.58 117.24 1sqb h GLU 100 Ca 0.26 -0.31 0.02 0.00 -1.00 0.00 0.00 59.36 58.33 1sqb h GLU 100 Cb 0.08 0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.31 1sqb h GLU 100 CO -0.13 0.90 0.15 -0.09 -1.00 0.00 0.00 179.01 178.84 1sqb h ARG 101 N 0.30 0.31 -0.41 2.33 2.43 -0.69 -2.26 114.38 116.40 1sqb h ARG 101 Ca 0.04 -0.02 -0.03 0.00 -0.81 0.00 0.00 59.98 59.17 1sqb h ARG 101 Cb 0.78 -0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 30.24 1sqb h ARG 101 CO 0.06 0.21 0.14 0.87 -1.51 0.00 0.00 179.97 179.74 1sqb h LYS 102 N 0.32 0.59 0.10 0.20 1.79 -0.64 -0.67 116.57 118.26 1sqb h LYS 102 Ca 0.14 -0.08 -0.01 0.00 -2.18 0.00 0.00 60.65 58.52 1sqb h LYS 102 Cb 0.06 -0.11 0.00 0.00 -1.58 0.00 0.00 32.23 30.60 1sqb h LYS 102 CO -0.10 0.50 -0.05 1.49 -1.08 0.00 0.00 179.45 180.21 1sqb h GLU 103 N 0.58 -0.14 -0.87 3.15 4.81 -1.21 0.11 114.58 121.01 1sqb h GLU 103 Ca 0.14 0.01 0.15 0.00 -0.13 0.00 0.00 59.36 59.53 1sqb h GLU 103 Cb 0.15 0.03 -0.09 0.00 0.63 0.00 0.00 28.75 29.47 1sqb h GLU 103 CO -0.01 0.15 0.47 0.00 -0.73 0.00 0.00 179.01 178.88 1sqb h ARG 104 N -0.42 0.65 -0.14 1.92 3.08 -0.80 0.12 114.38 118.79 1sqb h ARG 104 Ca -0.01 -0.04 -0.15 0.00 0.07 0.00 0.00 59.98 59.85 1sqb h ARG 104 Cb 0.35 -0.15 -0.01 0.00 0.08 0.00 0.00 29.97 30.24 1sqb h ARG 104 CO 0.02 0.43 -0.55 0.93 -1.07 0.00 0.00 179.97 179.73 1sqb h GLU 105 N 0.67 0.42 -0.24 0.04 5.08 -0.86 0.56 114.58 120.26 1sqb h GLU 105 Ca 0.47 -0.27 -0.11 0.00 -1.00 0.00 0.00 59.36 58.45 1sqb h GLU 105 Cb 0.65 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.92 1sqb h GLU 105 CO -0.35 0.87 -0.32 0.93 -1.00 0.00 0.00 179.01 179.13 1sqb h GLU 106 N 0.33 0.49 -0.24 2.33 4.39 0.14 -3.02 114.58 119.00 1sqb h GLU 106 Ca 0.00 -0.21 -0.18 0.00 0.34 0.00 0.00 59.36 59.31 1sqb h GLU 106 Cb 1.07 -0.01 -0.00 0.00 -0.10 0.00 0.00 28.75 29.71 1sqb h GLU 106 CO 0.10 0.76 -0.58 -1.49 -1.16 0.00 0.00 179.01 176.64 1sqb h TRP 107 N 0.42 0.96 0.00 4.33 4.06 -0.38 -3.19 115.95 122.16 1sqb h TRP 107 Ca 0.05 -0.35 0.00 0.00 2.06 0.00 0.00 58.89 60.65 1sqb h TRP 107 Cb 0.77 -0.18 0.00 0.00 -1.00 0.00 0.00 29.16 28.76 1sqb h TRP 107 CO 0.03 1.15 0.00 0.00 -3.56 0.00 0.00 178.44 176.06 1sqb n ALA 108 N -2.56 2.25 -0.12 1.49 0.00 0.15 -3.03 120.51 118.69 1sqb n ALA 108 Ca -0.04 -0.09 -0.17 0.00 0.00 0.00 0.00 53.44 53.14 1sqb n ALA 108 Cb 0.64 -1.23 -0.13 0.00 0.00 0.00 0.00 19.45 18.73 1sqb n ALA 108 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1sqb n LYS 109 N -0.84 0.66 0.00 0.00 5.02 -1.19 -5.07 118.16 116.74 1sqb n LYS 109 Ca 0.11 0.12 0.11 0.00 -2.02 0.00 0.00 58.31 56.63 1sqb n LYS 109 Cb 0.05 -1.52 0.67 0.00 -0.02 0.00 0.00 35.03 34.20 1sqb n LYS 109 CO 0.00 0.00 0.00 0.36 -0.52 0.00 0.00 177.40 177.24