#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qyb s SER 3 N 0.00 3.43 0.01 -5.58 1.04 -1.26 -4.96 113.70 106.38 1qyb s SER 3 Ca 0.00 2.04 0.22 0.00 0.48 0.00 0.00 55.95 58.69 1qyb s SER 3 Cb 0.00 -2.54 -0.23 0.00 0.10 0.00 0.00 66.02 63.35 1qyb s SER 3 CO 0.00 -2.75 0.69 0.18 0.98 0.00 0.00 173.24 172.33 1qyb n LEU 4 N -4.00 0.34 -4.57 2.42 4.77 -1.26 -4.94 117.00 109.76 1qyb n LEU 4 Ca 0.11 -0.04 -0.59 0.00 -0.03 0.00 0.00 56.01 55.45 1qyb n LEU 4 Cb 0.52 -0.02 -0.08 0.00 -2.33 0.00 0.00 43.42 41.52 1qyb n LEU 4 CO 0.51 0.02 0.77 0.29 -1.33 0.00 0.00 177.39 177.65 1qyb n LYS 5 N -2.15 0.29 -0.08 3.23 4.76 -1.26 -0.71 118.16 122.25 1qyb n LYS 5 Ca -0.01 0.11 0.00 0.00 -2.87 0.00 0.00 58.31 55.53 1qyb n LYS 5 Cb 0.51 -1.64 0.00 0.00 -1.84 0.00 0.00 35.03 32.06 1qyb n LYS 5 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1qyb n GLY 6 N 2.24 2.20 3.85 0.72 0.00 -1.26 -5.00 105.19 107.94 1qyb n GLY 6 Ca 0.22 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.92 1qyb n GLY 6 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1qyb s SER 7 N -3.49 6.58 0.34 1.61 1.04 0.11 -4.96 113.70 114.94 1qyb s SER 7 Ca 0.00 1.47 0.08 0.00 0.48 0.00 0.00 55.95 57.98 1qyb s SER 7 Cb 0.00 -2.47 0.63 0.00 0.10 0.00 0.00 66.02 64.28 1qyb s SER 7 CO 0.00 -0.56 1.81 0.03 0.98 0.00 0.00 173.24 175.50 1qyb h ARG 8 N 0.92 0.21 -0.57 4.02 3.08 -1.95 -2.46 114.38 117.64 1qyb h ARG 8 Ca -0.47 -0.07 -0.01 0.00 0.07 0.00 0.00 59.98 59.50 1qyb h ARG 8 Cb 1.19 -0.02 -0.03 0.00 0.08 0.00 0.00 29.97 31.19 1qyb h ARG 8 CO 0.62 0.48 0.32 1.15 -1.07 0.00 0.00 179.97 181.48 1qyb h THR 9 N 0.19 1.17 -0.29 2.04 2.02 -1.90 0.43 112.91 116.57 1qyb h THR 9 Ca 0.03 -0.41 0.00 0.00 0.77 0.00 0.00 66.41 66.80 1qyb h THR 9 Cb 0.60 0.39 -0.01 0.00 -1.74 0.00 0.00 68.15 67.38 1qyb h THR 9 CO 0.04 0.18 0.19 -0.08 0.37 0.00 0.00 175.52 176.23 1qyb h GLU 10 N 0.79 0.39 -0.04 6.66 4.81 -1.63 0.90 114.58 126.45 1qyb h GLU 10 Ca 0.20 -0.02 -0.11 0.00 -0.13 0.00 0.00 59.36 59.30 1qyb h GLU 10 Cb 0.00 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 29.28 1qyb h GLU 10 CO -0.04 0.26 -0.49 0.87 -0.73 0.00 0.00 179.01 178.89 1qyb h LYS 11 N 0.40 0.11 -0.41 1.92 1.57 -1.41 -2.51 116.57 116.24 1qyb h LYS 11 Ca 0.11 -0.06 -0.12 0.00 -1.87 0.00 0.00 60.65 58.71 1qyb h LYS 11 Cb -0.04 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.26 1qyb h LYS 11 CO -0.02 0.57 -0.23 -0.91 -0.57 0.00 0.00 179.45 178.29 1qyb h ASN 12 N 0.09 0.84 -0.30 0.86 2.35 -0.26 -0.24 115.58 118.91 1qyb h ASN 12 Ca 0.00 -0.31 -0.03 0.00 -0.55 0.00 0.00 56.30 55.41 1qyb h ASN 12 Cb 0.89 -0.23 -0.01 0.00 0.05 0.00 0.00 38.32 39.02 1qyb h ASN 12 CO 0.07 1.04 0.07 0.40 -1.65 0.00 0.00 177.43 177.36 1qyb h ILE 13 N 0.71 1.22 -0.56 2.81 2.04 -0.66 -0.25 117.51 122.81 1qyb h ILE 13 Ca 0.10 -0.71 -0.07 0.00 1.00 0.00 0.00 64.86 65.17 1qyb h ILE 13 Cb 0.76 1.12 -0.02 0.00 -0.74 0.00 0.00 36.82 37.93 1qyb h ILE 13 CO 0.06 0.24 0.06 0.25 0.00 0.00 0.00 178.15 178.75 1qyb h LEU 14 N 0.32 0.88 -0.65 1.44 5.85 -1.32 0.19 115.31 122.02 1qyb h LEU 14 Ca 0.09 -0.21 -0.04 0.00 0.84 0.00 0.00 57.88 58.57 1qyb h LEU 14 Cb 0.28 -0.23 -0.03 0.00 0.37 0.00 0.00 40.66 41.05 1qyb h LEU 14 CO 0.00 0.91 0.26 0.74 -0.34 0.00 0.00 178.44 180.02 1qyb h THR 15 N 0.87 1.24 -0.54 1.05 2.02 -0.79 0.15 112.91 116.90 1qyb h THR 15 Ca 0.17 -0.74 -0.06 0.00 0.77 0.00 0.00 66.41 66.56 1qyb h THR 15 Cb 0.43 0.50 -0.02 0.00 -1.74 0.00 0.00 68.15 67.32 1qyb h THR 15 CO 0.01 0.29 0.12 0.00 0.37 0.00 0.00 175.52 176.32 1qyb h ALA 16 N 1.11 0.72 -0.66 6.16 0.00 -0.69 -1.20 119.26 124.69 1qyb h ALA 16 Ca 0.22 -0.22 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 1qyb h ALA 16 Cb 0.20 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.75 1qyb h ALA 16 CO -0.02 0.42 0.40 0.35 0.00 0.00 0.00 179.25 180.41 1qyb h PHE 17 N 0.77 0.87 -0.71 0.00 3.57 -0.41 0.18 116.94 121.21 1qyb h PHE 17 Ca 0.17 -0.00 -0.05 0.00 3.53 0.00 0.00 57.97 61.61 1qyb h PHE 17 Cb 0.35 -0.29 -0.03 0.00 2.79 0.00 0.00 35.95 38.78 1qyb h PHE 17 CO 0.02 0.59 0.23 0.00 -2.23 0.00 0.00 178.31 176.92 1qyb h ALA 18 N 1.21 0.92 -0.27 2.41 0.00 -0.41 -0.77 119.26 122.36 1qyb h ALA 18 Ca 0.24 -0.22 -0.12 0.00 0.00 0.00 0.00 54.91 54.82 1qyb h ALA 18 Cb -0.03 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 17.48 1qyb h ALA 18 CO -0.05 0.60 -0.29 0.78 0.00 0.00 0.00 179.25 180.30 1qyb h GLY 19 N 1.04 0.72 1.54 0.00 0.00 -0.78 -2.37 103.07 103.21 1qyb h GLY 19 Ca 0.23 -0.75 -0.06 0.00 0.00 0.00 0.00 47.33 46.75 1qyb h GLY 19 CO -0.01 0.68 -0.05 0.83 0.00 0.00 0.00 176.54 177.99 1qyb h GLU 20 N 0.39 0.57 -0.49 4.80 4.39 -0.55 -0.84 114.58 122.85 1qyb h GLU 20 Ca 0.04 -0.14 -0.06 0.00 0.34 0.00 0.00 59.36 59.54 1qyb h GLU 20 Cb 0.85 -0.07 -0.02 0.00 -0.10 0.00 0.00 28.75 29.41 1qyb h GLU 20 CO 0.07 0.63 0.07 0.77 -1.16 0.00 0.00 179.01 179.39 1qyb h SER 21 N 0.53 0.78 0.04 1.42 0.02 -1.05 -1.39 113.55 113.92 1qyb h SER 21 Ca 0.11 -0.26 -0.14 0.00 -0.84 0.00 0.00 61.79 60.65 1qyb h SER 21 Cb 0.41 -0.21 -0.01 0.00 0.14 0.00 0.00 62.40 62.74 1qyb h SER 21 CO 0.02 0.85 -0.49 1.56 -1.14 0.00 0.00 176.83 177.63 1qyb h GLN 22 N 0.69 0.51 -0.55 3.45 4.20 -1.13 -2.96 115.11 119.32 1qyb h GLN 22 Ca 0.15 -0.29 -0.05 0.00 0.06 0.00 0.00 58.65 58.51 1qyb h GLN 22 Cb 0.40 0.02 -0.03 0.00 0.30 0.00 0.00 27.48 28.18 1qyb h GLN 22 CO 0.01 0.88 0.13 0.00 -0.67 0.00 0.00 178.83 179.19 1qyb h ALA 23 N 1.07 1.19 -0.28 3.87 0.00 -0.90 -0.29 119.26 123.92 1qyb h ALA 23 Ca 0.02 -0.21 0.01 0.00 0.00 0.00 0.00 54.91 54.73 1qyb h ALA 23 Cb 1.00 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.55 1qyb h ALA 23 CO 0.09 0.55 0.18 -0.09 0.00 0.00 0.00 179.25 179.98 1qyb h ARG 24 N 0.82 0.35 -0.04 0.00 2.43 -1.10 0.36 114.38 117.20 1qyb h ARG 24 Ca 0.18 -0.02 -0.00 0.00 -0.81 0.00 0.00 59.98 59.32 1qyb h ARG 24 Cb 0.30 -0.08 -0.00 0.00 -0.42 0.00 0.00 29.97 29.77 1qyb h ARG 24 CO -0.00 0.23 0.01 -0.91 -1.51 0.00 0.00 179.97 177.79 1qyb h ASN 25 N 0.36 0.07 -0.49 -3.80 -0.26 -1.33 -2.03 115.58 108.10 1qyb h ASN 25 Ca 0.11 -0.20 0.06 0.00 -0.56 0.00 0.00 56.30 55.71 1qyb h ASN 25 Cb -0.02 -0.02 -0.05 0.00 -1.06 0.00 0.00 38.32 37.17 1qyb h ASN 25 CO -0.04 0.25 0.19 0.03 -1.06 0.00 0.00 177.43 176.80 1qyb h ARG 26 N -0.12 0.37 -0.49 0.81 3.08 -0.85 -1.08 114.38 116.09 1qyb h ARG 26 Ca 0.01 -0.02 -0.06 0.00 0.07 0.00 0.00 59.98 59.99 1qyb h ARG 26 Cb 0.21 -0.08 -0.02 0.00 0.08 0.00 0.00 29.97 30.15 1qyb h ARG 26 CO -0.00 0.24 0.08 1.88 -1.07 0.00 0.00 179.97 181.10 1qyb h TYR 27 N 0.38 0.79 -0.41 3.04 0.05 -0.84 0.15 116.97 120.13 1qyb h TYR 27 Ca 0.23 -0.08 -0.10 0.00 0.05 0.00 0.00 58.73 58.83 1qyb h TYR 27 Cb 0.22 -0.23 -0.02 0.00 1.01 0.00 0.00 36.73 37.72 1qyb h TYR 27 CO -0.15 0.70 -0.14 -0.91 -1.05 0.00 0.00 178.16 176.61 1qyb h ASN 28 N 0.73 0.75 -0.39 3.88 -0.26 -0.76 0.58 115.58 120.12 1qyb h ASN 28 Ca 0.16 -0.23 -0.10 0.00 -0.56 0.00 0.00 56.30 55.56 1qyb h ASN 28 Cb 0.34 -0.20 -0.01 0.00 -1.06 0.00 0.00 38.32 37.38 1qyb h ASN 28 CO 0.01 0.91 -0.15 1.88 -1.06 0.00 0.00 177.43 179.01 1qyb h TYR 29 N 0.68 0.89 0.00 1.19 0.05 -0.54 -1.87 116.97 117.37 1qyb h TYR 29 Ca 0.11 -0.21 -0.06 0.00 0.05 0.00 0.00 58.73 58.62 1qyb h TYR 29 Cb 0.62 -0.21 -0.01 0.00 1.01 0.00 0.00 36.73 38.14 1qyb h TYR 29 CO 0.03 0.94 -0.28 0.74 -1.05 0.00 0.00 178.16 178.54 1qyb h PHE 30 N 0.58 0.00 -0.57 4.88 0.04 -0.77 -1.72 116.94 119.39 1qyb h PHE 30 Ca 0.09 0.00 -0.08 0.00 2.80 0.00 0.00 57.97 60.79 1qyb h PHE 30 Cb 0.69 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.81 1qyb h PHE 30 CO 0.05 0.28 0.06 0.78 -0.60 0.00 0.00 178.31 178.89 1qyb h GLY 31 N 0.90 1.03 1.38 -1.45 0.00 -0.41 -0.49 103.07 104.04 1qyb h GLY 31 Ca -0.00 -0.71 -0.09 0.00 0.00 0.00 0.00 47.33 46.53 1qyb h GLY 31 CO 0.04 0.66 -0.09 -1.33 0.00 0.00 0.00 176.54 175.81 1qyb h GLY 32 N 0.85 0.80 1.44 4.60 0.00 -0.61 -2.42 103.07 107.73 1qyb h GLY 32 Ca 0.17 -0.59 -0.13 0.00 0.00 0.00 0.00 47.33 46.78 1qyb h GLY 32 CO 0.02 0.54 -0.34 -1.61 0.00 0.00 0.00 176.54 175.15 1qyb h GLN 33 N 0.68 0.63 -0.56 4.80 5.75 -1.03 -2.44 115.11 122.94 1qyb h GLN 33 Ca 0.12 -0.29 -0.04 0.00 -0.15 0.00 0.00 58.65 58.28 1qyb h GLN 33 Cb 0.56 -0.01 -0.03 0.00 1.07 0.00 0.00 27.48 29.07 1qyb h GLN 33 CO 0.03 0.88 0.17 0.00 -2.65 0.00 0.00 178.83 177.27 1qyb h ALA 34 N 1.10 1.26 -0.12 3.38 0.00 -0.81 0.80 119.26 124.86 1qyb h ALA 34 Ca 0.06 -0.18 -0.00 0.00 0.00 0.00 0.00 54.91 54.78 1qyb h ALA 34 Cb 0.84 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.40 1qyb h ALA 34 CO 0.07 0.53 0.07 -0.22 0.00 0.00 0.00 179.25 179.70 1qyb h LYS 35 N 0.81 0.17 -0.52 0.00 1.63 -1.16 0.47 116.57 117.98 1qyb h LYS 35 Ca 0.18 -0.02 -0.02 0.00 -0.85 0.00 0.00 60.65 59.95 1qyb h LYS 35 Cb 0.24 -0.03 -0.03 0.00 -0.60 0.00 0.00 32.23 31.81 1qyb h LYS 35 CO -0.01 0.19 0.25 0.87 -3.45 0.00 0.00 179.45 177.30 1qyb h LYS 36 N 0.10 0.72 0.00 1.90 1.57 -0.94 -1.29 116.57 118.63 1qyb h LYS 36 Ca 0.04 -0.08 0.00 0.00 -1.87 0.00 0.00 60.65 58.74 1qyb h LYS 36 Cb 0.07 -0.14 0.00 0.00 0.08 0.00 0.00 32.23 32.24 1qyb h LYS 36 CO -0.01 0.55 0.00 -0.25 -0.57 0.00 0.00 179.45 179.18 1qyb n ASP 37 N -4.38 0.00 -0.09 0.86 8.00 0.22 -4.91 116.55 116.26 1qyb n ASP 37 Ca 0.04 -0.85 0.00 0.00 0.71 0.00 0.00 54.79 54.69 1qyb n ASP 37 Cb 0.12 -0.04 0.00 0.00 -0.02 0.00 0.00 41.12 41.18 1qyb n ASP 37 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1qyb n GLY 38 N 0.96 0.51 2.82 0.44 0.00 -0.49 -5.03 105.19 104.41 1qyb n GLY 38 Ca 0.22 -0.83 -0.28 0.00 0.00 0.00 0.00 46.02 45.13 1qyb n GLY 38 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1qyb s PHE 39 N -2.18 3.06 0.12 1.61 0.08 0.08 -4.35 117.98 116.41 1qyb s PHE 39 Ca 0.00 -3.11 -0.16 0.00 0.12 0.00 0.00 56.93 53.78 1qyb s PHE 39 Cb 0.00 -2.42 -0.02 0.00 -0.57 0.00 0.00 43.02 40.02 1qyb s PHE 39 CO 0.00 -0.63 1.62 0.28 -0.10 0.00 0.00 175.22 176.40 1qyb h VAL 40 N 4.64 1.23 -0.37 -0.44 2.07 -1.60 -0.27 116.25 121.50 1qyb h VAL 40 Ca 0.12 -0.78 0.00 0.00 0.82 0.00 0.00 66.70 66.86 1qyb h VAL 40 Cb 0.81 1.00 -0.02 0.00 -1.52 0.00 0.00 31.29 31.56 1qyb h VAL 40 CO 0.65 0.27 0.24 -0.61 0.02 0.00 0.00 177.57 178.14 1qyb h GLN 41 N 0.48 0.49 -0.69 1.57 4.15 -1.85 -0.16 115.11 119.10 1qyb h GLN 41 Ca 0.12 -0.03 -0.04 0.00 0.77 0.00 0.00 58.65 59.47 1qyb h GLN 41 Cb 0.31 -0.11 -0.03 0.00 0.21 0.00 0.00 27.48 27.86 1qyb h GLN 41 CO 0.00 0.33 0.26 0.82 -1.93 0.00 0.00 178.83 178.32 1qyb h ILE 42 N 0.50 1.24 -0.42 2.39 2.04 -1.92 -0.47 117.51 120.87 1qyb h ILE 42 Ca 0.14 -0.77 -0.01 0.00 1.00 0.00 0.00 64.86 65.22 1qyb h ILE 42 Cb -0.05 0.43 -0.02 0.00 -0.74 0.00 0.00 36.82 36.44 1qyb h ILE 42 CO -0.03 0.31 0.24 -1.28 0.00 0.00 0.00 178.15 177.39 1qyb h SER 43 N 1.00 0.51 0.27 1.72 0.87 -0.43 -0.58 113.55 116.91 1qyb h SER 43 Ca 0.23 -0.08 -0.08 0.00 -1.23 0.00 0.00 61.79 60.64 1qyb h SER 43 Cb 0.21 -0.13 -0.01 0.00 -0.44 0.00 0.00 62.40 62.03 1qyb h SER 43 CO -0.02 0.44 -0.34 0.44 -0.53 0.00 0.00 176.83 176.82 1qyb h ASP 44 N 0.54 0.11 -0.43 6.23 3.32 -0.62 -1.84 116.42 123.73 1qyb h ASP 44 Ca 0.15 -0.04 -0.12 0.00 0.02 0.00 0.00 57.03 57.04 1qyb h ASP 44 Cb 0.03 -0.03 -0.01 0.00 0.22 0.00 0.00 39.33 39.54 1qyb h ASP 44 CO -0.03 0.44 -0.21 0.40 -1.72 0.00 0.00 179.24 178.13 1qyb h ILE 45 N 0.09 1.28 -0.59 0.35 1.08 -0.57 -0.35 117.51 118.81 1qyb h ILE 45 Ca 0.01 -1.36 -0.03 0.00 -0.39 0.00 0.00 64.86 63.10 1qyb h ILE 45 Cb 0.65 1.23 -0.03 0.00 -3.07 0.00 0.00 36.82 35.60 1qyb h ILE 45 CO 0.05 0.46 0.27 -0.26 -0.69 0.00 0.00 178.15 177.98 1qyb h PHE 46 N 0.73 0.87 -0.58 1.37 0.04 -0.76 -0.36 116.94 118.25 1qyb h PHE 46 Ca 0.10 -0.05 -0.08 0.00 2.80 0.00 0.00 57.97 60.74 1qyb h PHE 46 Cb 0.78 -0.27 -0.02 0.00 2.20 0.00 0.00 35.95 38.64 1qyb h PHE 46 CO 0.06 0.68 0.05 0.00 -0.60 0.00 0.00 178.31 178.49 1qyb h ALA 47 N 1.11 0.99 -0.48 2.45 0.00 -1.17 -0.68 119.26 121.48 1qyb h ALA 47 Ca 0.20 -0.27 -0.12 0.00 0.00 0.00 0.00 54.91 54.72 1qyb h ALA 47 Cb 0.15 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 1qyb h ALA 47 CO -0.02 0.63 -0.17 1.49 0.00 0.00 0.00 179.25 181.17 1qyb h GLU 48 N 0.90 0.95 -0.77 0.00 4.81 -0.77 -1.79 114.58 117.91 1qyb h GLU 48 Ca 0.17 -0.39 -0.05 0.00 -0.13 0.00 0.00 59.36 58.96 1qyb h GLU 48 Cb 0.46 -0.04 -0.03 0.00 0.63 0.00 0.00 28.75 29.77 1qyb h GLU 48 CO 0.02 1.06 0.28 1.15 -0.73 0.00 0.00 179.01 180.79 1qyb h THR 49 N 0.80 1.26 -0.55 0.32 2.02 -0.82 -1.12 112.91 114.83 1qyb h THR 49 Ca 0.11 -0.85 0.00 0.00 0.77 0.00 0.00 66.41 66.45 1qyb h THR 49 Cb 0.74 0.37 -0.03 0.00 -1.74 0.00 0.00 68.15 67.49 1qyb h THR 49 CO 0.06 0.34 0.36 0.00 0.37 0.00 0.00 175.52 176.65 1qyb h ALA 50 N 1.18 0.69 -0.39 6.16 0.00 -0.87 0.18 119.26 126.21 1qyb h ALA 50 Ca 0.25 -0.04 -0.05 0.00 0.00 0.00 0.00 54.91 55.08 1qyb h ALA 50 Cb 0.25 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 1qyb h ALA 50 CO -0.02 0.14 0.04 -0.44 0.00 0.00 0.00 179.25 178.97 1qyb h ASP 51 N 0.74 0.55 0.49 0.00 3.32 -0.88 -1.49 116.42 119.15 1qyb h ASP 51 Ca 0.20 -0.10 -0.14 0.00 0.02 0.00 0.00 57.03 57.01 1qyb h ASP 51 Cb -0.08 -0.14 -0.01 0.00 0.22 0.00 0.00 39.33 39.31 1qyb h ASP 51 CO -0.04 0.59 -0.63 1.56 -1.72 0.00 0.00 179.24 179.00 1qyb h GLN 52 N 0.57 0.14 -0.28 3.56 4.20 -0.44 -2.46 115.11 120.41 1qyb h GLN 52 Ca 0.13 -0.10 -0.09 0.00 0.06 0.00 0.00 58.65 58.65 1qyb h GLN 52 Cb 0.30 0.02 -0.01 0.00 0.30 0.00 0.00 27.48 28.08 1qyb h GLN 52 CO 0.01 0.73 -0.19 0.93 -0.67 0.00 0.00 178.83 179.63 1qyb h GLU 53 N 0.10 0.51 -0.73 1.46 4.39 -0.34 -1.36 114.58 118.61 1qyb h GLU 53 Ca -0.01 -0.17 0.00 0.00 0.34 0.00 0.00 59.36 59.52 1qyb h GLU 53 Cb 1.14 -0.04 -0.04 0.00 -0.10 0.00 0.00 28.75 29.71 1qyb h GLU 53 CO 0.09 0.68 0.47 -0.09 -1.16 0.00 0.00 179.01 179.00 1qyb h ARG 54 N 0.46 0.96 -0.04 2.33 2.43 -0.85 -0.91 114.38 118.77 1qyb h ARG 54 Ca 0.08 -0.06 -0.20 0.00 -0.81 0.00 0.00 59.98 58.98 1qyb h ARG 54 Cb 0.60 -0.21 -0.00 0.00 -0.42 0.00 0.00 29.97 29.93 1qyb h ARG 54 CO 0.04 0.65 -0.83 0.93 -1.51 0.00 0.00 179.97 179.25 1qyb h GLU 55 N 0.99 0.40 -0.14 0.20 4.39 -0.96 -1.04 114.58 118.42 1qyb h GLU 55 Ca 0.26 -0.37 -0.01 0.00 0.34 0.00 0.00 59.36 59.58 1qyb h GLU 55 Cb -0.09 0.09 -0.01 0.00 -0.10 0.00 0.00 28.75 28.64 1qyb h GLU 55 CO -0.06 1.03 0.05 0.45 -1.16 0.00 0.00 179.01 179.32 1qyb h HIS 56 N 0.25 0.22 -1.00 4.33 3.86 -0.93 -2.05 115.15 119.84 1qyb h HIS 56 Ca -0.05 -0.02 0.06 0.00 -1.16 0.00 0.00 60.37 59.19 1qyb h HIS 56 Cb 1.43 -0.07 -0.06 0.00 1.06 0.00 0.00 27.41 29.78 1qyb h HIS 56 CO 0.05 0.33 0.65 0.00 0.86 0.00 0.00 177.93 179.82 1qyb h ALA 57 N 0.87 1.39 -0.34 2.45 0.00 -1.13 -1.70 119.26 120.81 1qyb h ALA 57 Ca 0.05 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.90 1qyb h ALA 57 Cb 0.21 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 1qyb h ALA 57 CO -0.00 0.48 0.11 -0.22 0.00 0.00 0.00 179.25 179.62 1qyb h LYS 58 N 1.20 0.52 -0.61 0.00 3.64 -0.92 0.27 116.57 120.67 1qyb h LYS 58 Ca 0.42 -0.11 0.00 0.00 -1.27 0.00 0.00 60.65 59.69 1qyb h LYS 58 Cb 0.11 -0.08 -0.03 0.00 -0.41 0.00 0.00 32.23 31.82 1qyb h LYS 58 CO -0.15 0.54 0.39 -0.09 -2.27 0.00 0.00 179.45 177.87 1qyb h ARG 59 N 0.40 0.81 -0.25 1.90 9.65 -1.01 -1.61 114.38 124.26 1qyb h ARG 59 Ca 0.11 -0.06 -0.03 0.00 -1.10 0.00 0.00 59.98 58.90 1qyb h ARG 59 Cb 0.23 -0.18 -0.01 0.00 -1.39 0.00 0.00 29.97 28.62 1qyb h ARG 59 CO -0.01 0.55 0.03 -0.07 2.80 0.00 0.00 179.97 183.27 1qyb h LEU 60 N 0.82 0.41 -1.12 3.80 3.38 -1.05 -3.11 115.31 118.44 1qyb h LEU 60 Ca 0.22 -0.28 0.05 0.00 0.09 0.00 0.00 57.88 57.97 1qyb h LEU 60 Cb -0.07 -0.11 -0.06 0.00 0.09 0.00 0.00 40.66 40.51 1qyb h LEU 60 CO -0.05 0.59 0.60 0.15 0.09 0.00 0.00 178.44 179.82 1qyb h PHE 61 N 0.22 1.08 0.00 1.13 3.57 -0.21 -1.97 116.94 120.77 1qyb h PHE 61 Ca 0.07 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.60 1qyb h PHE 61 Cb 0.36 -0.36 0.00 0.00 2.79 0.00 0.00 35.95 38.74 1qyb h PHE 61 CO 0.03 0.59 0.00 1.63 -2.23 0.00 0.00 178.31 178.33 1qyb n LYS 62 N -4.47 0.02 0.12 1.11 5.02 -0.63 -2.29 118.16 117.04 1qyb n LYS 62 Ca 0.13 0.25 0.06 0.00 -2.02 0.00 0.00 58.31 56.74 1qyb n LYS 62 Cb 0.16 -1.50 0.02 0.00 -0.02 0.00 0.00 35.03 33.69 1qyb n LYS 62 CO 0.00 0.00 0.00 0.74 -0.52 0.00 0.00 177.40 177.62 1qyb h PHE 63 N 0.00 0.00 -4.11 2.13 0.04 -1.41 -3.47 116.94 110.13 1qyb h PHE 63 Ca 0.00 0.00 -0.51 0.00 2.80 0.00 0.00 57.97 60.26 1qyb h PHE 63 Cb 0.22 0.00 0.09 0.00 2.20 0.00 0.00 35.95 38.46 1qyb h PHE 63 CO 0.00 0.28 0.43 -0.51 -0.60 0.00 0.00 178.31 177.91 1qyb s LEU 64 N -5.90 3.67 0.00 1.54 1.43 -0.97 -4.97 118.68 113.47 1qyb s LEU 64 Ca 0.01 2.21 0.18 0.00 -1.03 0.00 0.00 54.13 55.50 1qyb s LEU 64 Cb 0.08 -4.58 0.40 0.00 0.03 0.00 0.00 46.19 42.12 1qyb s LEU 64 CO 0.76 -1.40 1.32 -0.62 0.23 0.00 0.00 176.35 176.64 1qyb n GLU 65 N -1.57 2.43 0.00 1.70 1.02 -1.26 -5.09 120.64 117.88 1qyb n GLU 65 Ca 0.12 -2.17 0.00 0.00 -0.02 0.00 0.00 57.16 55.09 1qyb n GLU 65 Cb 0.51 -1.41 0.00 0.00 -0.02 0.00 0.00 31.44 30.52 1qyb n GLU 65 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1qyb n GLY 66 N 1.11 1.27 0.00 0.62 0.00 -1.26 -5.14 105.19 101.79 1qyb n GLY 66 Ca 0.16 -2.05 0.00 0.00 0.00 0.00 0.00 46.02 44.13 1qyb n GLY 66 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1qyb n GLY 67 N 1.15 -1.21 3.77 -0.02 0.00 -1.26 -4.93 105.19 102.68 1qyb n GLY 67 Ca 0.00 -1.59 -0.39 0.00 0.00 0.00 0.00 46.02 44.04 1qyb n GLY 67 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1qyb s ASP 68 N -3.07 6.95 -0.05 1.61 1.11 -1.26 -5.07 116.67 116.89 1qyb s ASP 68 Ca 0.00 1.14 0.02 0.00 0.18 0.00 0.00 52.55 53.89 1qyb s ASP 68 Cb 0.00 -2.35 0.01 0.00 1.07 0.00 0.00 42.92 41.65 1qyb s ASP 68 CO 0.00 0.11 -0.10 -0.22 1.18 0.00 0.00 175.17 176.14 1qyb s LEU 69 N -0.21 1.59 0.12 1.23 2.96 -1.26 -5.13 118.68 117.98 1qyb s LEU 69 Ca 0.30 -0.23 -0.26 0.00 -0.22 0.00 0.00 54.13 53.72 1qyb s LEU 69 Cb -0.18 -0.68 -0.07 0.00 0.50 0.00 0.00 46.19 45.76 1qyb s LEU 69 CO 0.17 0.02 0.80 -0.70 -1.32 0.00 0.00 176.35 175.31 1qyb s GLU 70 N 0.62 4.57 0.12 1.98 2.12 -1.26 -5.07 118.70 121.79 1qyb s GLU 70 Ca -0.12 1.17 0.05 0.00 0.36 0.00 0.00 54.97 56.44 1qyb s GLU 70 Cb -0.14 -3.31 -0.04 0.00 0.26 0.00 0.00 34.13 30.90 1qyb s GLU 70 CO 0.02 0.44 -0.13 0.96 -0.54 0.00 0.00 175.26 176.01 1qyb s ILE 71 N -0.66 1.25 -0.20 -3.70 -4.36 -1.26 -5.02 121.20 107.25 1qyb s ILE 71 Ca 0.38 -1.77 -0.01 0.00 -0.26 0.00 0.00 60.65 58.99 1qyb s ILE 71 Cb -0.22 -1.56 0.05 0.00 1.25 0.00 0.00 42.46 41.98 1qyb s ILE 71 CO 0.26 -0.50 -0.03 -0.69 0.24 0.00 0.00 174.94 174.22 1qyb s VAL 72 N -2.39 1.07 0.17 8.37 1.01 -1.26 -5.12 120.40 122.25 1qyb s VAL 72 Ca 0.10 -0.81 -0.21 0.00 0.00 0.00 0.00 61.98 61.06 1qyb s VAL 72 Cb -0.03 -1.38 0.06 0.00 0.00 0.00 0.00 36.38 35.02 1qyb s VAL 72 CO 0.02 -0.05 0.57 0.00 0.00 0.00 0.00 175.10 175.65 1qyb s ALA 73 N 1.62 -1.41 -0.03 5.51 0.00 -1.26 -5.13 121.76 121.07 1qyb s ALA 73 Ca -0.02 0.27 -0.01 0.00 0.00 0.00 0.00 51.96 52.20 1qyb s ALA 73 Cb -0.17 0.85 -0.04 0.00 0.00 0.00 0.00 23.12 23.77 1qyb s ALA 73 CO -0.07 -0.78 0.06 0.00 0.00 0.00 0.00 175.76 174.97 1qyb s ALA 74 N -3.78 3.49 0.08 0.00 0.00 -1.26 -5.12 121.76 115.17 1qyb s ALA 74 Ca 0.03 -0.85 -0.00 0.00 0.00 0.00 0.00 51.96 51.13 1qyb s ALA 74 Cb -0.01 -1.55 -0.04 0.00 0.00 0.00 0.00 23.12 21.52 1qyb s ALA 74 CO -0.10 0.66 -0.02 -0.06 0.00 0.00 0.00 175.76 176.24 1qyb s PHE 75 N -1.10 0.67 -0.16 0.00 0.08 -1.26 -5.10 117.98 111.10 1qyb s PHE 75 Ca 0.20 -1.07 -0.29 0.00 0.12 0.00 0.00 56.93 55.88 1qyb s PHE 75 Cb -0.12 -0.44 -0.04 0.00 -0.57 0.00 0.00 43.02 41.86 1qyb s PHE 75 CO 0.10 -0.36 1.63 -2.14 -0.10 0.00 0.00 175.22 174.35 1qyb s PRO 76 N -3.93 3.92 -1.18 0.24 0.02 -1.26 -4.92 135.00 127.89 1qyb s PRO 76 Ca 0.12 1.84 -0.15 0.00 0.02 0.00 0.00 61.00 62.83 1qyb s PRO 76 Cb 0.07 -4.02 0.15 0.00 0.02 0.00 0.00 34.50 30.73 1qyb s PRO 76 CO -0.07 -1.15 1.43 0.00 -0.33 0.00 0.00 177.00 176.88 1qyb s ALA 77 N 4.86 3.84 0.00 -1.55 0.00 -1.26 -4.84 121.76 122.80 1qyb s ALA 77 Ca 0.72 -3.23 0.00 0.00 0.00 0.00 0.00 51.96 49.45 1qyb s ALA 77 Cb -0.28 -4.18 0.00 0.00 0.00 0.00 0.00 23.12 18.67 1qyb s ALA 77 CO 0.29 -2.87 0.00 0.41 0.00 0.00 0.00 175.76 173.59 1qyb n GLY 78 N 4.45 -3.77 3.23 0.00 0.00 -1.26 -5.08 105.19 102.76 1qyb n GLY 78 Ca 0.36 -1.97 -0.14 0.00 0.00 0.00 0.00 46.02 44.27 1qyb n GLY 78 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1qyb s ILE 79 N -0.94 0.00 -0.33 -0.61 -4.36 -1.26 -5.15 121.20 108.56 1qyb s ILE 79 Ca 0.00 -1.99 -0.10 0.00 -0.26 0.00 0.00 60.65 58.31 1qyb s ILE 79 Cb 0.00 -2.50 0.00 0.00 1.25 0.00 0.00 42.46 41.22 1qyb s ILE 79 CO 0.00 0.00 0.16 -0.63 0.24 0.00 0.00 174.94 174.71 1qyb s ILE 80 N -4.00 4.55 0.00 8.37 1.01 -1.26 -4.99 121.20 124.88 1qyb s ILE 80 Ca 0.39 -0.56 0.00 0.00 0.00 0.00 0.00 60.65 60.48 1qyb s ILE 80 Cb 0.06 -3.38 0.00 0.00 0.01 0.00 0.00 42.46 39.15 1qyb s ILE 80 CO 0.15 -0.01 0.00 0.00 0.00 0.00 0.00 174.94 175.08 1qyb n ALA 81 N 4.98 0.00 -1.17 9.38 0.00 -1.26 -5.12 120.51 127.32 1qyb n ALA 81 Ca -0.13 0.00 -0.31 0.00 0.00 0.00 0.00 53.44 53.00 1qyb n ALA 81 Cb 0.48 0.00 0.11 0.00 0.00 0.00 0.00 19.45 20.04 1qyb n ALA 81 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.50 177.66 1qyb s ASP 82 N 0.92 4.07 0.23 0.00 -4.77 -1.26 -4.73 116.67 111.12 1qyb s ASP 82 Ca 0.00 1.80 -0.07 0.00 -3.30 0.00 0.00 52.55 50.99 1qyb s ASP 82 Cb 0.00 -2.46 0.32 0.00 -1.09 0.00 0.00 42.92 39.69 1qyb s ASP 82 CO 0.00 -2.31 1.81 0.74 0.70 0.00 0.00 175.17 176.11 1qyb h THR 83 N -1.32 0.94 -0.37 2.11 2.02 -1.94 -0.60 112.91 113.74 1qyb h THR 83 Ca -0.45 -0.25 0.03 0.00 0.77 0.00 0.00 66.41 66.51 1qyb h THR 83 Cb 1.25 0.13 -0.03 0.00 -1.74 0.00 0.00 68.15 67.75 1qyb h THR 83 CO 0.51 0.14 0.17 -0.74 0.37 0.00 0.00 175.52 175.96 1qyb h HIS 84 N 0.74 0.31 -0.77 3.16 -0.00 -1.96 0.36 115.15 116.99 1qyb h HIS 84 Ca 0.35 0.02 -0.05 0.00 -0.00 0.00 0.00 60.37 60.69 1qyb h HIS 84 Cb 0.28 -0.09 -0.03 0.00 -0.00 0.00 0.00 27.41 27.57 1qyb h HIS 84 CO -0.07 0.16 0.30 0.00 -0.00 0.00 0.00 177.93 178.32 1qyb h ALA 85 N 1.21 1.01 -0.62 5.26 0.00 -1.77 -1.72 119.26 122.62 1qyb h ALA 85 Ca 0.16 -0.20 -0.06 0.00 0.00 0.00 0.00 54.91 54.82 1qyb h ALA 85 Cb 0.09 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 17.55 1qyb h ALA 85 CO -0.13 0.64 0.16 -0.91 0.00 0.00 0.00 179.25 179.01 1qyb h ASN 86 N 1.12 0.90 -0.61 0.00 2.35 -0.48 0.02 115.58 118.88 1qyb h ASN 86 Ca 0.26 -0.17 -0.09 0.00 -0.55 0.00 0.00 56.30 55.74 1qyb h ASN 86 Cb 0.22 -0.24 -0.02 0.00 0.05 0.00 0.00 38.32 38.34 1qyb h ASN 86 CO -0.02 0.87 0.01 -0.07 -1.65 0.00 0.00 177.43 176.57 1qyb h LEU 87 N 0.92 1.04 -0.39 1.61 3.38 -0.62 -0.02 115.31 121.23 1qyb h LEU 87 Ca 0.20 -0.30 -0.06 0.00 0.09 0.00 0.00 57.88 57.81 1qyb h LEU 87 Cb 0.32 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.77 1qyb h LEU 87 CO -0.00 1.09 0.01 0.40 0.09 0.00 0.00 178.44 180.03 1qyb h ILE 88 N 0.97 1.26 -0.42 1.22 2.04 -0.85 -1.09 117.51 120.63 1qyb h ILE 88 Ca 0.17 -0.97 -0.10 0.00 1.00 0.00 0.00 64.86 64.96 1qyb h ILE 88 Cb 0.55 1.11 -0.02 0.00 -0.74 0.00 0.00 36.82 37.72 1qyb h ILE 88 CO 0.03 0.33 -0.15 0.00 0.00 0.00 0.00 178.15 178.36 1qyb h ALA 89 N 0.89 0.95 -0.37 1.87 0.00 -0.87 -1.76 119.26 119.98 1qyb h ALA 89 Ca 0.11 -0.34 -0.05 0.00 0.00 0.00 0.00 54.91 54.63 1qyb h ALA 89 Cb 0.45 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 1qyb h ALA 89 CO 0.02 0.61 0.03 0.77 0.00 0.00 0.00 179.25 180.68 1qyb h SER 90 N 0.70 0.62 -0.82 0.00 0.02 -0.85 -1.96 113.55 111.25 1qyb h SER 90 Ca 0.11 -0.29 -0.00 0.00 -0.84 0.00 0.00 61.79 60.77 1qyb h SER 90 Cb 0.64 -0.16 -0.04 0.00 0.14 0.00 0.00 62.40 62.98 1qyb h SER 90 CO 0.04 0.75 0.51 0.00 -1.14 0.00 0.00 176.83 176.99 1qyb h ALA 91 N 0.89 1.04 -0.65 3.77 0.00 -1.03 -0.80 119.26 122.48 1qyb h ALA 91 Ca 0.11 -0.08 -0.03 0.00 0.00 0.00 0.00 54.91 54.90 1qyb h ALA 91 Cb 0.42 -0.33 -0.03 0.00 0.00 0.00 0.00 17.79 17.85 1qyb h ALA 91 CO 0.01 0.49 0.26 0.00 0.00 0.00 0.00 179.25 180.02 1qyb h ALA 92 N 1.27 1.25 -0.33 0.00 0.00 -1.13 0.70 119.26 121.03 1qyb h ALA 92 Ca 0.30 -0.16 -0.09 0.00 0.00 0.00 0.00 54.91 54.95 1qyb h ALA 92 Cb -0.06 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.46 1qyb h ALA 92 CO -0.06 0.55 -0.14 0.78 0.00 0.00 0.00 179.25 180.39 1qyb h GLY 93 N 1.02 0.73 1.00 0.00 0.00 -0.70 -2.36 103.07 102.76 1qyb h GLY 93 Ca 0.22 -0.64 -0.02 0.00 0.00 0.00 0.00 47.33 46.88 1qyb h GLY 93 CO -0.02 0.59 0.32 0.83 0.00 0.00 0.00 176.54 178.25 1qyb h GLU 94 N 0.44 0.96 -0.51 4.80 4.39 -0.79 -2.31 114.58 121.57 1qyb h GLU 94 Ca 0.08 -0.14 0.04 0.00 0.34 0.00 0.00 59.36 59.68 1qyb h GLU 94 Cb 0.66 -0.17 -0.04 0.00 -0.10 0.00 0.00 28.75 29.10 1qyb h GLU 94 CO 0.04 0.76 0.26 1.25 -1.16 0.00 0.00 179.01 180.16 1qyb h HIS 95 N 0.92 0.47 -0.65 4.33 2.76 -0.73 -1.03 115.15 121.22 1qyb h HIS 95 Ca 0.23 0.02 -0.02 0.00 -2.20 0.00 0.00 60.37 58.40 1qyb h HIS 95 Cb 0.12 -0.14 -0.03 0.00 1.55 0.00 0.00 27.41 28.91 1qyb h HIS 95 CO 0.00 0.23 0.32 1.25 -1.30 0.00 0.00 177.93 178.44 1qyb h HIS 96 N 0.50 0.92 -0.38 5.26 -0.00 -1.22 -0.81 115.15 119.43 1qyb h HIS 96 Ca 0.22 -0.04 -0.02 0.00 -0.00 0.00 0.00 60.37 60.53 1qyb h HIS 96 Cb 0.13 -0.29 -0.02 0.00 -0.00 0.00 0.00 27.41 27.23 1qyb h HIS 96 CO -0.10 0.69 0.16 0.93 -0.00 0.00 0.00 177.93 179.60 1qyb h GLU 97 N 0.89 0.56 0.00 5.26 5.08 -0.82 0.13 114.58 125.69 1qyb h GLU 97 Ca 0.22 -0.10 -0.00 0.00 -1.00 0.00 0.00 59.36 58.48 1qyb h GLU 97 Cb 0.10 -0.09 -0.00 0.00 0.50 0.00 0.00 28.75 29.26 1qyb h GLU 97 CO -0.03 0.53 -0.59 0.10 -1.00 0.00 0.00 179.01 178.02 1qyb h TYR 98 N 0.46 0.00 0.06 4.33 -0.00 -1.15 0.42 116.97 121.09 1qyb h TYR 98 Ca 0.13 0.00 -0.36 0.00 0.00 0.00 0.00 58.73 58.49 1qyb h TYR 98 Cb 0.18 0.00 -0.04 0.00 0.00 0.00 0.00 36.73 36.86 1qyb h TYR 98 CO -0.00 0.00 -2.15 0.25 -0.00 0.00 0.00 178.16 176.26 1qyb n THR 99 N -2.85 1.63 -0.01 -0.90 -2.24 -0.32 -4.50 114.28 105.10 1qyb n THR 99 Ca 0.02 -0.67 -0.03 0.00 -2.27 0.00 0.00 64.05 61.10 1qyb n THR 99 Cb 0.54 -1.43 -0.01 0.00 -2.10 0.00 0.00 70.33 67.33 1qyb n THR 99 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1qyb n GLU 100 N -3.29 0.20 0.46 -0.78 1.02 -0.03 -4.70 120.64 113.52 1qyb n GLU 100 Ca -0.34 0.08 -0.20 0.00 -0.02 0.00 0.00 57.16 56.68 1qyb n GLU 100 Cb 1.04 -0.80 -0.10 0.00 -0.02 0.00 0.00 31.44 31.56 1qyb n GLU 100 CO 0.00 0.00 0.00 1.98 1.18 0.00 0.00 177.13 180.29 1qyb h MET 101 N -0.38 -1.19 -0.73 3.49 4.05 -1.40 -2.40 114.93 116.37 1qyb h MET 101 Ca 0.00 0.08 -0.04 0.00 -0.28 0.00 0.00 59.70 59.46 1qyb h MET 101 Cb 0.38 0.27 -0.03 0.00 -0.80 0.00 0.00 31.60 31.42 1qyb h MET 101 CO 0.00 -0.79 0.28 1.88 0.23 0.00 0.00 176.91 178.51 1qyb h TYR 102 N -1.24 1.12 -0.55 1.39 0.05 -1.17 0.07 116.97 116.64 1qyb h TYR 102 Ca -0.12 -0.09 -0.04 0.00 0.05 0.00 0.00 58.73 58.54 1qyb h TYR 102 Cb 0.97 -0.33 -0.03 0.00 1.01 0.00 0.00 36.73 38.35 1qyb h TYR 102 CO -0.06 0.86 0.19 -1.35 -1.05 0.00 0.00 178.16 176.75 1qyb h PRO 103 N 1.05 0.81 -0.26 4.88 0.11 -1.77 0.18 132.00 137.00 1qyb h PRO 103 Ca 0.24 -0.14 -0.04 0.00 0.11 0.00 0.00 66.00 66.18 1qyb h PRO 103 Cb 0.23 -0.14 -0.01 0.00 0.11 0.00 0.00 31.00 31.19 1qyb h PRO 103 CO -0.02 0.69 0.00 1.03 -0.21 0.00 0.00 178.00 179.49 1qyb h SER 104 N 0.79 0.44 -0.64 -2.05 0.87 -1.03 -0.44 113.55 111.49 1qyb h SER 104 Ca 0.18 -0.31 -0.06 0.00 -1.23 0.00 0.00 61.79 60.38 1qyb h SER 104 Cb 0.20 -0.12 -0.03 0.00 -0.44 0.00 0.00 62.40 62.02 1qyb h SER 104 CO -0.01 0.64 0.17 -0.26 -0.53 0.00 0.00 176.83 176.84 1qyb h PHE 105 N 0.23 1.09 -0.37 2.24 -1.00 -0.60 -0.72 116.94 117.80 1qyb h PHE 105 Ca 0.07 -0.12 -0.05 0.00 2.81 0.00 0.00 57.97 60.69 1qyb h PHE 105 Cb 0.41 -0.31 -0.01 0.00 3.61 0.00 0.00 35.95 39.65 1qyb h PHE 105 CO 0.04 0.88 0.05 0.00 -1.61 0.00 0.00 178.31 177.67 1qyb h ALA 106 N 1.18 0.50 0.09 2.45 0.00 -0.53 -0.36 119.26 122.59 1qyb h ALA 106 Ca 0.21 -0.22 0.02 0.00 0.00 0.00 0.00 54.91 54.92 1qyb h ALA 106 Cb 0.34 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.96 1qyb h ALA 106 CO -0.00 0.22 -0.20 -0.09 0.00 0.00 0.00 179.25 179.18 1qyb h ARG 107 N 0.47 -0.35 -0.38 0.00 2.43 -0.78 -0.92 114.38 114.85 1qyb h ARG 107 Ca 0.11 0.02 -0.06 0.00 -0.81 0.00 0.00 59.98 59.25 1qyb h ARG 107 Cb 0.38 0.08 -0.02 0.00 -0.42 0.00 0.00 29.97 29.99 1qyb h ARG 107 CO 0.01 -0.23 -0.01 0.82 -1.51 0.00 0.00 179.97 179.05 1qyb h ILE 108 N -0.36 1.21 0.07 1.20 2.04 -1.08 -1.46 117.51 119.13 1qyb h ILE 108 Ca 0.03 -0.86 -0.00 0.00 1.00 0.00 0.00 64.86 65.02 1qyb h ILE 108 Cb 0.40 0.93 0.00 0.00 -0.74 0.00 0.00 36.82 37.41 1qyb h ILE 108 CO -0.12 0.30 -0.03 0.00 0.00 0.00 0.00 178.15 178.29 1qyb h ALA 109 N 1.43 -0.09 -0.96 1.87 0.00 -0.63 -1.06 119.26 119.82 1qyb h ALA 109 Ca 0.12 -0.07 0.06 0.00 0.00 0.00 0.00 54.91 55.01 1qyb h ALA 109 Cb 0.37 0.04 -0.06 0.00 0.00 0.00 0.00 17.79 18.14 1qyb h ALA 109 CO 0.01 -0.49 0.62 0.00 0.00 0.00 0.00 179.25 179.39 1qyb h ARG 110 N -0.21 1.10 -0.66 0.00 3.08 -0.94 0.44 114.38 117.19 1qyb h ARG 110 Ca -0.01 -0.07 -0.00 0.00 0.07 0.00 0.00 59.98 59.97 1qyb h ARG 110 Cb 0.18 -0.25 -0.03 0.00 0.08 0.00 0.00 29.97 29.95 1qyb h ARG 110 CO 0.02 0.73 0.40 1.49 -1.07 0.00 0.00 179.97 181.54 1qyb h GLU 111 N 1.13 0.89 -0.00 0.04 4.81 -0.87 -2.34 114.58 118.23 1qyb h GLU 111 Ca 0.41 -0.08 0.00 0.00 -0.13 0.00 0.00 59.36 59.56 1qyb h GLU 111 Cb 0.14 -0.19 0.00 0.00 0.63 0.00 0.00 28.75 29.33 1qyb h GLU 111 CO -0.16 0.63 -0.02 0.39 -0.73 0.00 0.00 179.01 179.11 1qyb n GLU 112 N -4.58 1.01 -0.45 1.92 1.02 -0.43 -4.92 120.64 114.21 1qyb n GLU 112 Ca 0.05 -0.25 0.00 0.00 -0.02 0.00 0.00 57.16 56.94 1qyb n GLU 112 Cb 0.05 -1.49 0.00 0.00 -0.02 0.00 0.00 31.44 29.98 1qyb n GLU 112 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1qyb n GLY 113 N 1.12 0.75 3.08 0.62 0.00 -0.65 -5.02 105.19 105.09 1qyb n GLY 113 Ca 0.20 -0.48 -0.40 0.00 0.00 0.00 0.00 46.02 45.35 1qyb n GLY 113 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1qyb n TYR 114 N -2.43 3.92 0.07 1.61 4.01 0.05 -4.90 117.16 119.49 1qyb n TYR 114 Ca 0.00 -3.63 -0.13 0.00 -0.16 0.00 0.00 57.90 53.99 1qyb n TYR 114 Cb 0.01 -1.28 -0.07 0.00 -0.31 0.00 0.00 39.34 37.68 1qyb n TYR 114 CO 0.00 0.00 0.00 0.93 -0.46 0.00 0.00 176.86 177.33 1qyb h GLU 115 N 5.83 -0.07 -0.40 -0.72 4.39 -1.89 -1.10 114.58 120.61 1qyb h GLU 115 Ca 0.18 0.01 0.05 0.00 0.34 0.00 0.00 59.36 59.94 1qyb h GLU 115 Cb 0.75 0.02 -0.05 0.00 -0.10 0.00 0.00 28.75 29.38 1qyb h GLU 115 CO 1.04 -0.03 0.13 1.49 -1.16 0.00 0.00 179.01 180.49 1qyb h GLU 116 N -0.10 0.28 -0.67 2.33 4.81 -1.97 -1.24 114.58 118.01 1qyb h GLU 116 Ca -0.01 -0.02 -0.06 0.00 -0.13 0.00 0.00 59.36 59.14 1qyb h GLU 116 Cb 0.08 -0.06 -0.03 0.00 0.63 0.00 0.00 28.75 29.37 1qyb h GLU 116 CO 0.01 0.19 0.18 0.82 -0.73 0.00 0.00 179.01 179.48 1qyb h ILE 117 N 0.29 1.26 -0.55 2.32 2.04 -1.96 -1.67 117.51 119.24 1qyb h ILE 117 Ca 0.19 -0.92 0.02 0.00 1.00 0.00 0.00 64.86 65.15 1qyb h ILE 117 Cb 0.18 0.57 -0.03 0.00 -0.74 0.00 0.00 36.82 36.80 1qyb h ILE 117 CO -0.20 0.35 0.34 0.00 0.00 0.00 0.00 178.15 178.64 1qyb h ALA 118 N 1.08 0.70 -0.21 1.87 0.00 -0.72 -0.65 119.26 121.32 1qyb h ALA 118 Ca 0.21 -0.02 -0.06 0.00 0.00 0.00 0.00 54.91 55.04 1qyb h ALA 118 Cb 0.34 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 1qyb h ALA 118 CO -0.00 0.07 -0.13 0.00 0.00 0.00 0.00 179.25 179.19 1qyb h ARG 119 N 0.68 0.35 -0.42 0.00 3.08 -0.95 -1.54 114.38 115.58 1qyb h ARG 119 Ca 0.22 -0.09 -0.13 0.00 0.07 0.00 0.00 59.98 60.04 1qyb h ARG 119 Cb -0.01 -0.04 -0.01 0.00 0.08 0.00 0.00 29.97 29.99 1qyb h ARG 119 CO -0.08 0.48 -0.25 0.28 -1.07 0.00 0.00 179.97 179.34 1qyb h VAL 120 N 0.33 1.27 -0.55 2.04 2.07 -0.50 -0.57 116.25 120.34 1qyb h VAL 120 Ca 0.06 -1.41 0.00 0.00 0.82 0.00 0.00 66.70 66.18 1qyb h VAL 120 Cb 0.43 1.26 -0.03 0.00 -1.52 0.00 0.00 31.29 31.44 1qyb h VAL 120 CO 0.03 0.48 0.35 -0.26 0.02 0.00 0.00 177.57 178.18 1qyb h PHE 121 N 0.74 0.70 -0.75 1.57 0.04 -0.65 -0.05 116.94 118.54 1qyb h PHE 121 Ca 0.09 0.01 -0.04 0.00 2.80 0.00 0.00 57.97 60.83 1qyb h PHE 121 Cb 0.82 -0.24 -0.03 0.00 2.20 0.00 0.00 35.95 38.70 1qyb h PHE 121 CO 0.06 0.46 0.32 0.00 -0.60 0.00 0.00 178.31 178.54 1qyb h ALA 122 N 1.19 0.97 -0.54 2.45 0.00 -1.11 -2.22 119.26 120.00 1qyb h ALA 122 Ca 0.20 -0.18 -0.11 0.00 0.00 0.00 0.00 54.91 54.82 1qyb h ALA 122 Cb -0.06 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.42 1qyb h ALA 122 CO -0.04 0.58 -0.08 0.77 0.00 0.00 0.00 179.25 180.47 1qyb h SER 123 N 1.07 1.00 -0.59 0.00 0.02 -0.61 -2.71 113.55 111.74 1qyb h SER 123 Ca 0.25 -0.34 -0.03 0.00 -0.84 0.00 0.00 61.79 60.83 1qyb h SER 123 Cb 0.19 -0.27 -0.03 0.00 0.14 0.00 0.00 62.40 62.43 1qyb h SER 123 CO -0.02 1.11 0.27 0.40 -1.14 0.00 0.00 176.83 177.44 1qyb h ILE 124 N 0.88 1.21 -0.57 3.27 2.04 -0.84 -2.03 117.51 121.47 1qyb h ILE 124 Ca 0.14 -0.64 0.06 0.00 1.00 0.00 0.00 64.86 65.42 1qyb h ILE 124 Cb 0.64 0.45 -0.03 0.00 -0.74 0.00 0.00 36.82 37.14 1qyb h ILE 124 CO 0.04 0.26 0.38 0.00 0.00 0.00 0.00 178.15 178.83 1qyb h ALA 125 N 1.41 1.82 -0.33 1.87 0.00 -1.08 -1.44 119.26 121.52 1qyb h ALA 125 Ca 0.21 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 55.07 1qyb h ALA 125 Cb 0.14 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 1qyb h ALA 125 CO -0.02 0.09 0.08 0.28 0.00 0.00 0.00 179.25 179.68 1qyb h VAL 126 N 0.56 1.22 -0.90 0.00 2.07 -1.25 -1.91 116.25 116.04 1qyb h VAL 126 Ca 0.24 -0.74 -0.01 0.00 0.82 0.00 0.00 66.70 67.01 1qyb h VAL 126 Cb 0.25 1.07 -0.04 0.00 -1.52 0.00 0.00 31.29 31.05 1qyb h VAL 126 CO -0.07 0.25 0.51 0.00 0.02 0.00 0.00 177.57 178.28 1qyb h ALA 127 N 0.92 1.15 -0.20 1.67 0.00 -1.23 -2.45 119.26 119.12 1qyb h ALA 127 Ca 0.10 -0.12 -0.06 0.00 0.00 0.00 0.00 54.91 54.83 1qyb h ALA 127 Cb 0.29 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 1qyb h ALA 127 CO 0.00 0.64 -0.14 0.93 0.00 0.00 0.00 179.25 180.68 1qyb h GLU 128 N 1.25 0.33 -0.35 0.00 4.39 -1.03 -1.47 114.58 117.71 1qyb h GLU 128 Ca 0.32 -0.09 -0.13 0.00 0.34 0.00 0.00 59.36 59.81 1qyb h GLU 128 Cb -0.00 -0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 28.59 1qyb h GLU 128 CO -0.05 0.47 -0.30 1.49 -1.16 0.00 0.00 179.01 179.46 1qyb h GLU 129 N 0.31 0.74 -0.02 2.33 4.81 -0.87 -0.98 114.58 120.90 1qyb h GLU 129 Ca 0.06 -0.33 -0.15 0.00 -0.13 0.00 0.00 59.36 58.80 1qyb h GLU 129 Cb 0.44 -0.02 -0.02 0.00 0.63 0.00 0.00 28.75 29.78 1qyb h GLU 129 CO 0.03 0.95 -0.70 0.35 -0.73 0.00 0.00 179.01 178.90 1qyb h PHE 130 N 0.63 0.13 -0.52 0.92 3.57 -1.28 -1.56 116.94 118.82 1qyb h PHE 130 Ca 0.07 -0.06 -0.00 0.00 3.53 0.00 0.00 57.97 61.52 1qyb h PHE 130 Cb 0.82 -0.02 -0.03 0.00 2.79 0.00 0.00 35.95 39.51 1qyb h PHE 130 CO 0.04 0.76 0.32 0.45 -2.23 0.00 0.00 178.31 177.66 1qyb h HIS 131 N 0.06 0.68 -0.40 0.41 3.86 -0.96 -1.21 115.15 117.59 1qyb h HIS 131 Ca -0.01 0.00 -0.02 0.00 -1.16 0.00 0.00 60.37 59.18 1qyb h HIS 131 Cb 1.25 -0.22 -0.02 0.00 1.06 0.00 0.00 27.41 29.47 1qyb h HIS 131 CO 0.01 0.46 0.18 1.49 0.86 0.00 0.00 177.93 180.93 1qyb h GLU 132 N 0.70 0.59 -0.61 2.45 4.81 -0.92 -2.06 114.58 119.54 1qyb h GLU 132 Ca 0.19 -0.09 0.08 0.00 -0.13 0.00 0.00 59.36 59.40 1qyb h GLU 132 Cb -0.03 -0.10 -0.06 0.00 0.63 0.00 0.00 28.75 29.18 1qyb h GLU 132 CO -0.04 0.53 0.28 -0.22 -0.73 0.00 0.00 179.01 178.83 1qyb h LYS 133 N 0.51 0.49 -0.28 1.92 3.64 -0.93 0.13 116.57 122.05 1qyb h LYS 133 Ca 0.14 -0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 59.48 1qyb h LYS 133 Cb 0.15 -0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 31.84 1qyb h LYS 133 CO -0.01 0.32 0.15 -0.09 -2.27 0.00 0.00 179.45 177.55 1qyb h ARG 134 N 0.50 0.40 -0.52 1.90 2.43 -1.01 -0.11 114.38 117.97 1qyb h ARG 134 Ca 0.29 -0.05 -0.03 0.00 -0.81 0.00 0.00 59.98 59.38 1qyb h ARG 134 Cb 0.29 -0.08 -0.02 0.00 -0.42 0.00 0.00 29.97 29.74 1qyb h ARG 134 CO -0.24 0.35 0.20 0.74 -1.51 0.00 0.00 179.97 179.50 1qyb h PHE 135 N 0.34 0.81 -0.60 2.20 0.04 -0.75 -1.89 116.94 117.10 1qyb h PHE 135 Ca 0.10 -0.07 -0.08 0.00 2.80 0.00 0.00 57.97 60.72 1qyb h PHE 135 Cb 0.07 -0.24 -0.02 0.00 2.20 0.00 0.00 35.95 37.96 1qyb h PHE 135 CO -0.03 0.68 0.06 -0.07 -0.60 0.00 0.00 178.31 178.35 1qyb h LEU 136 N 0.71 0.95 -0.51 1.54 3.38 -0.60 -1.07 115.31 119.71 1qyb h LEU 136 Ca 0.17 -0.23 -0.03 0.00 0.09 0.00 0.00 57.88 57.88 1qyb h LEU 136 Cb 0.22 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.69 1qyb h LEU 136 CO -0.01 0.97 0.18 0.44 0.09 0.00 0.00 178.44 180.12 1qyb h ASP 137 N 0.93 0.72 0.06 -0.43 3.32 -0.75 -1.05 116.42 119.21 1qyb h ASP 137 Ca 0.18 -0.19 -0.12 0.00 0.02 0.00 0.00 57.03 56.92 1qyb h ASP 137 Cb 0.45 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 39.80 1qyb h ASP 137 CO 0.02 0.71 -0.41 -0.26 -1.72 0.00 0.00 179.24 177.58 1qyb h PHE 138 N 0.69 0.53 -0.65 4.55 0.04 -1.18 -0.95 116.94 119.98 1qyb h PHE 138 Ca 0.17 -0.15 -0.04 0.00 2.80 0.00 0.00 57.97 60.74 1qyb h PHE 138 Cb 0.23 -0.12 -0.03 0.00 2.20 0.00 0.00 35.95 38.24 1qyb h PHE 138 CO 0.01 0.79 0.23 0.00 -0.60 0.00 0.00 178.31 178.74 1qyb h ALA 139 N 1.19 0.85 -0.66 2.45 0.00 -0.98 -1.65 119.26 120.46 1qyb h ALA 139 Ca 0.03 -0.19 -0.05 0.00 0.00 0.00 0.00 54.91 54.70 1qyb h ALA 139 Cb 0.88 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 18.39 1qyb h ALA 139 CO 0.07 0.49 0.21 -0.09 0.00 0.00 0.00 179.25 179.94 1qyb h ARG 140 N 0.93 1.02 -0.90 0.00 2.43 -0.87 -0.24 114.38 116.74 1qyb h ARG 140 Ca 0.21 -0.21 0.01 0.00 -0.81 0.00 0.00 59.98 59.17 1qyb h ARG 140 Cb 0.25 -0.15 -0.04 0.00 -0.42 0.00 0.00 29.97 29.61 1qyb h ARG 140 CO -0.01 0.88 0.59 -0.91 -1.51 0.00 0.00 179.97 179.01 1qyb h ASN 141 N 0.95 1.04 -0.19 -3.80 -0.26 -0.83 0.52 115.58 113.01 1qyb h ASN 141 Ca 0.21 -0.03 -0.04 0.00 -0.56 0.00 0.00 56.30 55.88 1qyb h ASN 141 Cb 0.28 -0.26 -0.01 0.00 -1.06 0.00 0.00 38.32 37.28 1qyb h ASN 141 CO -0.01 0.77 -0.05 0.40 -1.06 0.00 0.00 177.43 177.48 1qyb h ILE 142 N 1.23 1.29 -0.62 2.81 2.04 -0.94 0.22 117.51 123.54 1qyb h ILE 142 Ca 0.33 -1.03 -0.03 0.00 1.00 0.00 0.00 64.86 65.13 1qyb h ILE 142 Cb -0.13 1.57 -0.03 0.00 -0.74 0.00 0.00 36.82 37.50 1qyb h ILE 142 CO -0.07 0.31 0.28 0.50 0.00 0.00 0.00 178.15 179.17 1qyb h LYS 143 N 0.09 0.88 -0.07 2.37 3.64 -0.68 -2.18 116.57 120.62 1qyb h LYS 143 Ca 0.05 -0.12 0.00 0.00 -1.27 0.00 0.00 60.65 59.31 1qyb h LYS 143 Cb 0.50 -0.16 0.00 0.00 -0.41 0.00 0.00 32.23 32.15 1qyb h LYS 143 CO 0.02 0.70 0.00 0.39 -2.27 0.00 0.00 179.45 178.29 1qyb n GLU 144 N -4.34 1.65 -2.99 1.90 1.02 0.14 -4.93 120.64 113.09 1qyb n GLU 144 Ca 0.06 -0.96 -0.20 0.00 -0.02 0.00 0.00 57.16 56.04 1qyb n GLU 144 Cb 0.14 -1.44 0.04 0.00 -0.02 0.00 0.00 31.44 30.16 1qyb n GLU 144 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1qyb n GLY 145 N 1.14 -0.38 0.68 0.62 0.00 -0.56 -4.92 105.19 101.78 1qyb n GLY 145 Ca 0.18 0.04 0.07 0.00 0.00 0.00 0.00 46.02 46.31 1qyb n GLY 145 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1qyb n ARG 146 N -3.76 2.78 -0.16 1.61 1.74 0.65 -4.45 116.66 115.07 1qyb n ARG 146 Ca -0.09 -2.48 -0.08 0.00 -0.77 0.00 0.00 57.85 54.43 1qyb n ARG 146 Cb 0.60 -1.58 0.01 0.00 -1.02 0.00 0.00 32.46 30.47 1qyb n ARG 146 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 1qyb h VAL 147 N 1.61 1.20 -0.01 1.55 2.07 -1.90 -3.30 116.25 117.46 1qyb h VAL 147 Ca 0.00 -0.58 0.00 0.00 0.82 0.00 0.00 66.70 66.94 1qyb h VAL 147 Cb 1.11 0.72 0.00 0.00 -1.52 0.00 0.00 31.29 31.60 1qyb h VAL 147 CO 0.12 0.22 0.00 0.49 0.02 0.00 0.00 177.57 178.42 1qyb n PHE 148 N -4.62 0.01 -3.75 1.57 3.72 -1.26 -4.89 117.46 108.25 1qyb n PHE 148 Ca 0.01 -0.45 -0.13 0.00 -0.05 0.00 0.00 57.45 56.84 1qyb n PHE 148 Cb 0.13 -0.04 -0.13 0.00 -0.94 0.00 0.00 39.48 38.50 1qyb n PHE 148 CO 0.00 0.00 0.00 -1.17 -0.05 0.00 0.00 176.76 175.54 1qyb s LEU 149 N -0.90 0.63 0.32 4.37 2.96 -1.24 -1.32 118.68 123.49 1qyb s LEU 149 Ca 0.01 0.47 0.05 0.00 -0.22 0.00 0.00 54.13 54.44 1qyb s LEU 149 Cb 0.00 0.68 -0.06 0.00 0.50 0.00 0.00 46.19 47.31 1qyb s LEU 149 CO 0.00 -0.14 0.02 -0.13 -1.32 0.00 0.00 176.35 174.78 1qyb s ARG 150 N 0.99 1.64 0.11 1.98 1.81 0.15 -4.28 118.95 121.34 1qyb s ARG 150 Ca -0.07 -1.89 -0.07 0.00 -1.72 0.00 0.00 55.73 51.98 1qyb s ARG 150 Cb -0.09 -1.01 -0.16 0.00 -0.45 0.00 0.00 34.95 33.25 1qyb s ARG 150 CO -0.06 -0.11 1.24 0.93 -0.68 0.00 0.00 175.30 176.62 1qyb h GLU 151 N 2.14 0.45 -6.20 3.54 4.39 -2.00 -3.43 114.58 113.47 1qyb h GLU 151 Ca -0.41 -0.53 -0.61 0.00 0.34 0.00 0.00 59.36 58.15 1qyb h GLU 151 Cb 1.24 0.16 -0.08 0.00 -0.10 0.00 0.00 28.75 29.97 1qyb h GLU 151 CO 0.70 1.18 -0.59 -0.65 -1.16 0.00 0.00 179.01 178.49 1qyb s GLN 152 N -3.14 2.85 0.28 2.33 -0.21 -1.26 -4.97 119.66 115.55 1qyb s GLN 152 Ca -0.06 -0.78 -0.30 0.00 0.02 0.00 0.00 55.36 54.24 1qyb s GLN 152 Cb 0.08 -2.67 -0.11 0.00 1.00 0.00 0.00 33.01 31.31 1qyb s GLN 152 CO 0.88 0.53 1.50 0.00 -2.12 0.00 0.00 175.29 176.08 1qyb s ALA 153 N -1.54 3.66 0.01 6.09 0.00 -1.26 -4.45 121.76 124.27 1qyb s ALA 153 Ca 0.30 1.45 -0.00 0.00 0.00 0.00 0.00 51.96 53.71 1qyb s ALA 153 Cb -0.11 -3.60 0.00 0.00 0.00 0.00 0.00 23.12 19.41 1qyb s ALA 153 CO 0.22 -0.87 0.01 -2.37 0.00 0.00 0.00 175.76 172.75 1qyb n THR 154 N 1.99 0.00 -4.54 0.00 5.66 -0.57 -4.89 114.28 111.93 1qyb n THR 154 Ca 0.06 -0.04 -0.34 0.00 -3.05 0.00 0.00 64.05 60.69 1qyb n THR 154 Cb 0.39 0.02 -0.12 0.00 -1.55 0.00 0.00 70.33 69.07 1qyb n THR 154 CO 0.00 0.00 0.00 -0.54 -3.05 0.00 0.00 175.07 171.48 1qyb s LYS 155 N -2.02 3.35 -0.10 1.09 1.02 -1.26 -0.79 119.74 121.03 1qyb s LYS 155 Ca 0.01 -0.56 0.03 0.00 0.02 0.00 0.00 55.97 55.46 1qyb s LYS 155 Cb -0.00 -2.76 -0.01 0.00 -0.52 0.00 0.00 37.83 34.54 1qyb s LYS 155 CO 0.00 0.36 -0.19 -1.58 -0.92 0.00 0.00 175.35 173.02 1qyb s TRP 156 N 0.02 2.65 -0.10 3.18 0.52 0.16 -1.13 118.94 124.24 1qyb s TRP 156 Ca -0.01 -0.80 -0.02 0.00 0.02 0.00 0.00 56.10 55.29 1qyb s TRP 156 Cb -0.14 -1.74 -0.03 0.00 -1.15 0.00 0.00 33.47 30.41 1qyb s TRP 156 CO 0.03 -0.28 -0.03 0.50 0.02 0.00 0.00 176.95 177.19 1qyb s ARG 157 N 0.22 3.15 -0.26 4.98 3.52 0.80 0.41 118.95 131.77 1qyb s ARG 157 Ca -0.12 -0.49 -0.28 0.00 -0.13 0.00 0.00 55.73 54.71 1qyb s ARG 157 Cb -0.16 -2.77 0.01 0.00 -1.56 0.00 0.00 34.95 30.46 1qyb s ARG 157 CO 0.07 0.53 0.98 0.00 -0.81 0.00 0.00 175.30 176.07 1qyb h ARG 159 N 7.72 0.00 -0.13 0.00 3.08 -1.34 0.27 114.38 123.99 1qyb h ARG 159 Ca -0.21 0.00 -0.13 0.00 0.07 0.00 0.00 59.98 59.71 1qyb h ARG 159 Cb 1.07 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.12 1qyb h ARG 159 CO 0.96 0.17 -0.44 -0.97 -1.07 0.00 0.00 179.97 178.63 1qyb h ASN 160 N 0.00 0.60 0.00 7.04 -0.73 -1.91 -3.40 115.58 117.18 1qyb h ASN 160 Ca -0.00 -0.61 0.00 0.00 1.87 0.00 0.00 56.30 57.56 1qyb h ASN 160 Cb 0.50 -0.18 0.00 0.00 0.27 0.00 0.00 38.32 38.91 1qyb h ASN 160 CO 0.02 1.11 0.00 0.00 -0.37 0.00 0.00 177.43 178.19 1qyb n GLY 162 N 0.49 0.75 3.75 0.00 0.00 0.95 -5.01 105.19 106.11 1qyb n GLY 162 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 1qyb n GLY 162 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1qyb n TYR 163 N -2.10 2.57 -4.10 1.61 9.36 -1.26 -4.57 117.16 118.67 1qyb n TYR 163 Ca 0.00 0.46 -0.34 0.00 3.32 0.00 0.00 57.90 61.34 1qyb n TYR 163 Cb 0.00 -2.44 -0.15 0.00 -0.63 0.00 0.00 39.34 36.12 1qyb n TYR 163 CO 0.00 0.00 0.00 0.08 0.22 0.00 0.00 176.86 177.16 1qyb s VAL 164 N -1.19 2.91 -0.14 2.97 1.01 -1.26 -0.10 120.40 124.60 1qyb s VAL 164 Ca 0.60 -0.66 -0.04 0.00 0.00 0.00 0.00 61.98 61.89 1qyb s VAL 164 Cb -0.47 -2.29 -0.03 0.00 0.00 0.00 0.00 36.38 33.60 1qyb s VAL 164 CO 0.58 0.47 -0.02 -2.28 0.00 0.00 0.00 175.10 173.85 1qyb s HIS 165 N 1.26 3.06 -0.23 5.22 2.46 0.17 -4.92 115.29 122.31 1qyb s HIS 165 Ca 0.03 -0.17 -0.07 0.00 0.47 0.00 0.00 55.06 55.32 1qyb s HIS 165 Cb -0.14 -1.94 -0.03 0.00 -0.13 0.00 0.00 32.58 30.34 1qyb s HIS 165 CO -0.05 0.07 0.07 -1.21 -2.47 0.00 0.00 174.74 171.15 1qyb s GLU 166 N 0.13 3.76 0.00 2.88 2.02 -1.26 0.37 118.70 126.61 1qyb s GLU 166 Ca -0.00 -0.43 0.00 0.00 0.02 0.00 0.00 54.97 54.55 1qyb s GLU 166 Cb -0.13 -3.29 0.00 0.00 0.10 0.00 0.00 34.13 30.81 1qyb s GLU 166 CO 0.02 -0.04 0.00 0.41 0.02 0.00 0.00 175.26 175.68 1qyb n GLY 167 N 4.47 0.08 0.24 -1.39 0.00 0.03 -4.93 105.19 103.68 1qyb n GLY 167 Ca -0.16 -1.15 0.10 0.00 0.00 0.00 0.00 46.02 44.81 1qyb n GLY 167 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 1qyb h THR 168 N 2.42 0.65 -3.80 2.61 1.35 -1.84 -1.52 112.91 112.77 1qyb h THR 168 Ca 0.00 -0.88 -0.10 0.00 -0.55 0.00 0.00 66.41 64.89 1qyb h THR 168 Cb 0.00 1.56 -0.15 0.00 -1.73 0.00 0.00 68.15 67.84 1qyb h THR 168 CO 0.00 0.19 -0.41 -0.83 -0.25 0.00 0.00 175.52 174.22 1qyb s GLY 169 N -4.25 0.12 0.43 5.82 0.00 -1.26 -0.67 107.32 107.51 1qyb s GLY 169 Ca -0.01 -0.60 -0.25 0.00 0.00 0.00 0.00 44.72 43.85 1qyb s GLY 169 CO 0.62 -0.78 1.24 0.00 0.00 0.00 0.00 173.10 174.19 1qyb s ALA 170 N -3.54 3.12 0.69 3.20 0.00 -0.44 -4.97 121.76 119.81 1qyb s ALA 170 Ca 0.03 1.11 -0.13 0.00 0.00 0.00 0.00 51.96 52.96 1qyb s ALA 170 Cb 0.04 -3.44 0.01 0.00 0.00 0.00 0.00 23.12 19.72 1qyb s ALA 170 CO -0.09 -0.77 1.09 -1.25 0.00 0.00 0.00 175.76 174.74 1qyb s PRO 171 N -2.42 2.75 0.35 0.00 0.04 -1.26 -4.94 135.00 129.51 1qyb s PRO 171 Ca 0.60 1.22 0.03 0.00 0.04 0.00 0.00 61.00 62.89 1qyb s PRO 171 Cb -0.34 -1.95 0.65 0.00 0.04 0.00 0.00 34.50 32.89 1qyb s PRO 171 CO 0.43 -1.27 1.97 0.93 0.04 0.00 0.00 177.00 179.10 1qyb h GLU 172 N -0.37 0.71 -3.75 4.56 4.39 -1.95 -3.32 114.58 114.86 1qyb h GLU 172 Ca -0.45 -0.08 -0.22 0.00 0.34 0.00 0.00 59.36 58.95 1qyb h GLU 172 Cb 1.23 -0.14 -0.27 0.00 -0.10 0.00 0.00 28.75 29.47 1qyb h GLU 172 CO 0.54 0.54 -0.71 -0.51 -1.16 0.00 0.00 179.01 177.71 1qyb s LEU 173 N -9.49 2.01 0.09 1.33 1.43 -1.26 -1.30 118.68 111.48 1qyb s LEU 173 Ca -0.09 -0.06 -0.31 0.00 -1.03 0.00 0.00 54.13 52.64 1qyb s LEU 173 Cb 0.17 0.05 -0.07 0.00 0.03 0.00 0.00 46.19 46.36 1qyb s LEU 173 CO 0.76 -0.05 1.41 0.00 0.23 0.00 0.00 176.35 178.70 1qyb h PRO 175 N 7.13 0.00 0.00 0.00 0.13 -1.96 0.45 132.00 137.75 1qyb h PRO 175 Ca -0.41 0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 64.60 1qyb h PRO 175 Cb 1.20 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.31 1qyb h PRO 175 CO 0.88 0.00 -1.01 0.00 -0.23 0.00 0.00 178.00 177.64 1qyb n ALA 176 N -1.90 0.69 0.93 -0.56 0.00 -1.26 -4.67 120.51 113.74 1qyb n ALA 176 Ca 0.01 -0.57 0.11 0.00 0.00 0.00 0.00 53.44 52.99 1qyb n ALA 176 Cb 0.24 -0.14 0.04 0.00 0.00 0.00 0.00 19.45 19.60 1qyb n ALA 176 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1qyb n ALA 178 N 0.58 -0.09 -1.92 0.00 0.00 0.15 -4.95 120.51 114.28 1qyb n ALA 178 Ca 0.11 0.10 -0.31 0.00 0.00 0.00 0.00 53.44 53.33 1qyb n ALA 178 Cb 0.49 -1.33 -0.03 0.00 0.00 0.00 0.00 19.45 18.59 1qyb n ALA 178 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.50 176.49 1qyb s HIS 179 N -1.75 3.48 0.90 0.00 3.76 -1.26 -4.57 115.29 115.85 1qyb s HIS 179 Ca 0.00 1.35 -0.11 0.00 -0.15 0.00 0.00 55.06 56.15 1qyb s HIS 179 Cb 0.00 -2.70 0.13 0.00 1.11 0.00 0.00 32.58 31.12 1qyb s HIS 179 CO 0.00 -0.36 1.10 -1.25 -0.85 0.00 0.00 174.74 173.38 1qyb s PRO 180 N -4.20 1.21 0.52 8.40 0.04 -1.26 -0.20 135.00 139.51 1qyb s PRO 180 Ca 0.57 1.09 0.36 0.00 0.04 0.00 0.00 61.00 63.05 1qyb s PRO 180 Cb -0.10 -1.78 1.51 0.00 0.04 0.00 0.00 34.50 34.16 1qyb s PRO 180 CO 0.35 -2.35 1.75 -0.22 0.04 0.00 0.00 177.00 176.57 1qyb h LYS 181 N -1.64 0.06 -0.71 4.56 3.64 -1.29 -1.56 116.57 119.63 1qyb h LYS 181 Ca -0.48 -0.00 0.20 0.00 -1.27 0.00 0.00 60.65 59.10 1qyb h LYS 181 Cb 1.27 -0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 33.05 1qyb h LYS 181 CO 0.50 0.04 0.67 0.00 -2.27 0.00 0.00 179.45 178.39 1qyb h ALA 182 N 1.40 2.52 -0.00 5.00 0.00 -1.88 -0.55 119.26 125.75 1qyb h ALA 182 Ca 0.64 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.53 1qyb h ALA 182 Cb 2.39 0.05 0.00 0.00 0.00 0.00 0.00 17.79 20.24 1qyb h ALA 182 CO -0.08 -1.03 -0.10 0.72 0.00 0.00 0.00 179.25 178.76 1qyb n HIS 183 N -3.78 0.00 -3.05 0.00 8.25 -0.59 -1.87 115.22 114.18 1qyb n HIS 183 Ca 0.14 0.00 -0.35 0.00 -0.26 0.00 0.00 57.72 57.26 1qyb n HIS 183 Cb 0.92 -0.37 -0.06 0.00 1.12 0.00 0.00 29.99 31.60 1qyb n HIS 183 CO 0.00 0.00 0.00 -0.06 0.64 0.00 0.00 176.34 176.92 1qyb s PHE 184 N -2.84 3.53 0.12 4.41 0.40 -0.22 -0.87 117.98 122.51 1qyb s PHE 184 Ca 0.18 1.39 -0.01 0.00 -0.60 0.00 0.00 56.93 57.90 1qyb s PHE 184 Cb 0.19 -2.64 -0.04 0.00 0.51 0.00 0.00 43.02 41.04 1qyb s PHE 184 CO 0.54 0.20 0.04 -1.83 0.70 0.00 0.00 175.22 174.86 1qyb s GLU 185 N -2.44 0.87 0.21 0.44 -1.05 -0.50 -4.74 118.70 111.49 1qyb s GLU 185 Ca 0.49 -1.40 -0.30 0.00 -0.15 0.00 0.00 54.97 53.61 1qyb s GLU 185 Cb -0.14 0.22 -0.09 0.00 -0.44 0.00 0.00 34.13 33.69 1qyb s GLU 185 CO 0.19 -0.23 1.28 -0.51 0.95 0.00 0.00 175.26 176.95 1qyb s LEU 186 N -3.03 4.43 0.09 1.83 1.43 -1.26 -0.14 118.68 122.03 1qyb s LEU 186 Ca 0.21 2.39 -0.31 0.00 -1.03 0.00 0.00 54.13 55.39 1qyb s LEU 186 Cb 0.08 -3.61 -0.10 0.00 0.03 0.00 0.00 46.19 42.59 1qyb s LEU 186 CO -0.00 -0.49 1.84 -0.22 0.23 0.00 0.00 176.35 177.70 1qyb s LEU 187 N -0.29 4.40 -0.01 1.79 1.98 -0.28 -4.68 118.68 121.59 1qyb s LEU 187 Ca 0.55 2.70 0.08 0.00 -2.89 0.00 0.00 54.13 54.56 1qyb s LEU 187 Cb -0.36 -3.56 -0.02 0.00 0.66 0.00 0.00 46.19 42.91 1qyb s LEU 187 CO 0.39 -1.00 -0.24 -0.83 -1.89 0.00 0.00 176.35 172.78 1qyb s GLY 188 N 3.07 1.36 -0.24 7.98 0.00 -1.26 -4.97 107.32 113.26 1qyb s GLY 188 Ca 0.82 -1.14 0.00 0.00 0.00 0.00 0.00 44.72 44.40 1qyb s GLY 188 CO 0.37 -0.97 -0.02 -0.42 0.00 0.00 0.00 173.10 172.06 1qyb s ILE 189 N -0.69 1.41 -0.55 0.90 -1.09 -1.26 -5.03 121.20 114.88 1qyb s ILE 189 Ca 0.11 -1.23 0.06 0.00 -2.23 0.00 0.00 60.65 57.36 1qyb s ILE 189 Cb -0.10 -1.76 0.31 0.00 -1.58 0.00 0.00 42.46 39.33 1qyb s ILE 189 CO 0.00 -0.19 0.83 -0.46 -1.23 0.00 0.00 174.94 173.89 1qyb n ASN 190 N 4.70 3.46 0.00 3.58 2.04 -1.26 -5.34 115.26 122.44 1qyb n ASN 190 Ca -0.10 -3.45 0.00 0.00 -0.44 0.00 0.00 54.58 50.59 1qyb n ASN 190 Cb 0.44 -0.60 0.00 0.00 -2.53 0.00 0.00 39.78 37.09 1qyb n ASN 190 CO 0.00 0.00 0.00 -2.67 -0.44 0.00 0.00 177.26 174.15