#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2uzg n ASN 37 N 0.00 0.09 -2.72 0.55 2.85 -1.26 -5.11 115.26 109.67 2uzg n ASN 37 Ca 0.00 0.03 0.00 0.00 -0.11 0.00 0.00 54.58 54.50 2uzg n ASN 37 Cb 0.00 -0.01 0.00 0.00 1.24 0.00 0.00 39.78 41.01 2uzg n ASN 37 CO 0.00 0.00 0.00 1.57 -2.11 0.00 0.00 177.26 176.72 2uzg n HIS 38 N -2.61 -2.37 -4.15 1.20 -0.00 -1.26 -5.04 115.22 100.98 2uzg n HIS 38 Ca 0.00 0.00 -0.35 0.00 0.46 0.00 0.00 57.72 57.83 2uzg n HIS 38 Cb 0.00 0.00 -0.09 0.00 -0.12 0.00 0.00 29.99 29.78 2uzg n HIS 38 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 2uzg h PRO 40 N 5.63 0.55 -0.43 0.00 0.13 -1.96 -1.23 132.00 134.69 2uzg h PRO 40 Ca -0.47 -0.23 0.08 0.00 -0.87 0.00 0.00 66.00 64.51 2uzg h PRO 40 Cb 1.19 -0.02 -0.09 0.00 0.13 0.00 0.00 31.00 32.21 2uzg h PRO 40 CO 0.60 0.79 -0.36 0.45 -0.23 0.00 0.00 178.00 179.25 2uzg h HIS 41 N 0.29 -1.02 -0.06 1.56 3.86 -1.97 -0.14 115.15 117.67 2uzg h HIS 41 Ca 0.06 0.06 -0.18 0.00 -1.16 0.00 0.00 60.37 59.16 2uzg h HIS 41 Cb 0.61 0.51 -0.01 0.00 1.06 0.00 0.00 27.41 29.59 2uzg h HIS 41 CO 0.06 -0.40 -0.73 1.37 0.86 0.00 0.00 177.93 179.09 2uzg h LEU 42 N -0.27 0.40 -2.69 2.43 8.10 -1.91 -3.01 115.31 118.36 2uzg h LEU 42 Ca 0.17 -0.27 0.01 0.00 0.11 0.00 0.00 57.88 57.90 2uzg h LEU 42 Cb 0.56 -0.12 -0.00 0.00 -0.44 0.00 0.00 40.66 40.66 2uzg h LEU 42 CO -0.57 1.00 0.06 -0.78 -4.11 0.00 0.00 178.44 174.03 2uzg h ASP 43 N 0.23 0.00 0.13 0.17 1.82 0.06 -2.32 116.42 116.51 2uzg h ASP 43 Ca -0.03 0.00 -0.28 0.00 -0.39 0.00 0.00 57.03 56.33 2uzg h ASP 43 Cb 1.30 0.00 0.00 0.00 0.68 0.00 0.00 39.33 41.31 2uzg h ASP 43 CO 0.12 0.00 -1.40 -1.28 -1.61 0.00 0.00 179.24 175.07 2uzg h SER 44 N 0.00 0.43 -4.31 2.28 0.87 -0.94 -3.47 113.55 108.41 2uzg h SER 44 Ca 0.01 -0.88 -0.51 0.00 -1.23 0.00 0.00 61.79 59.18 2uzg h SER 44 Cb 0.12 -0.14 0.12 0.00 -0.44 0.00 0.00 62.40 62.06 2uzg h SER 44 CO -0.00 1.62 0.34 0.68 -0.53 0.00 0.00 176.83 178.94 2uzg s VAL 45 N -2.49 3.58 0.00 2.23 -7.23 -0.88 -4.96 120.40 110.66 2uzg s VAL 45 Ca -0.18 0.53 0.00 0.00 -1.81 0.00 0.00 61.98 60.51 2uzg s VAL 45 Cb 0.04 -3.10 0.00 0.00 0.56 0.00 0.00 36.38 33.88 2uzg s VAL 45 CO 0.79 -0.65 0.00 0.61 -0.31 0.00 0.00 175.10 175.53 2uzg n GLY 46 N -1.44 1.20 3.03 2.32 0.00 -1.26 -4.87 105.19 104.19 2uzg n GLY 46 Ca 0.09 -0.88 -0.08 0.00 0.00 0.00 0.00 46.02 45.14 2uzg n GLY 46 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2uzg s GLU 47 N 4.11 0.44 0.19 1.61 2.12 -1.26 -4.66 118.70 121.26 2uzg s GLU 47 Ca 0.00 -0.83 -0.09 0.00 0.36 0.00 0.00 54.97 54.41 2uzg s GLU 47 Cb 0.00 0.16 -0.07 0.00 0.26 0.00 0.00 34.13 34.48 2uzg s GLU 47 CO 0.00 -0.08 0.50 0.42 -0.54 0.00 0.00 175.26 175.56 2uzg s ILE 48 N -2.43 4.99 0.67 -3.70 1.01 -1.26 -4.80 121.20 115.68 2uzg s ILE 48 Ca -0.07 0.40 -0.11 0.00 0.00 0.00 0.00 60.65 60.87 2uzg s ILE 48 Cb -0.03 -3.63 -0.01 0.00 0.01 0.00 0.00 42.46 38.80 2uzg s ILE 48 CO -0.04 0.01 1.05 0.42 0.00 0.00 0.00 174.94 176.37 2uzg s THR 49 N -1.72 4.28 0.19 2.92 -4.23 -1.26 -4.88 115.64 110.94 2uzg s THR 49 Ca 0.44 0.74 -0.12 0.00 -1.18 0.00 0.00 61.69 61.57 2uzg s THR 49 Cb -0.12 -3.57 0.10 0.00 1.34 0.00 0.00 72.50 70.25 2uzg s THR 49 CO 0.22 -0.97 1.84 0.11 -0.54 0.00 0.00 174.62 175.28 2uzg h LYS 50 N -0.57 0.75 -0.47 3.99 1.79 -1.99 -1.76 116.57 118.31 2uzg h LYS 50 Ca -0.44 -0.05 0.04 0.00 -2.18 0.00 0.00 60.65 58.02 2uzg h LYS 50 Cb 1.20 -0.17 -0.03 0.00 -1.58 0.00 0.00 32.23 31.66 2uzg h LYS 50 CO 0.59 0.50 0.31 1.49 -1.08 0.00 0.00 179.45 181.26 2uzg h GLU 51 N 0.77 0.49 -0.01 3.15 4.22 -1.99 0.32 114.58 121.53 2uzg h GLU 51 Ca 0.24 -0.03 -0.01 0.00 0.08 0.00 0.00 59.36 59.64 2uzg h GLU 51 Cb -0.02 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.12 2uzg h GLU 51 CO -0.08 0.33 -0.02 -0.44 -2.18 0.00 0.00 179.01 176.61 2uzg h ASP 52 N 0.51 0.03 -0.07 1.04 5.19 -1.73 -3.21 116.42 118.17 2uzg h ASP 52 Ca 0.19 -0.62 -0.03 0.00 -0.62 0.00 0.00 57.03 55.96 2uzg h ASP 52 Cb 0.13 -0.01 -0.01 0.00 0.18 0.00 0.00 39.33 39.63 2uzg h ASP 52 CO -0.05 0.64 -0.02 -0.07 -3.12 0.00 0.00 179.24 176.63 2uzg h LEU 53 N -0.58 0.22 -0.61 1.55 3.38 -1.01 -2.53 115.31 115.73 2uzg h LEU 53 Ca -0.00 -0.03 0.06 0.00 0.09 0.00 0.00 57.88 58.01 2uzg h LEU 53 Cb 0.64 -0.06 -0.06 0.00 0.09 0.00 0.00 40.66 41.28 2uzg h LEU 53 CO 0.00 0.28 0.31 0.40 0.09 0.00 0.00 178.44 179.52 2uzg h ILE 54 N 0.23 0.92 -0.46 1.22 1.08 -0.94 0.65 117.51 120.21 2uzg h ILE 54 Ca 0.06 -0.19 -0.14 0.00 -0.39 0.00 0.00 64.86 64.19 2uzg h ILE 54 Cb 0.19 0.30 -0.01 0.00 -3.07 0.00 0.00 36.82 34.23 2uzg h ILE 54 CO 0.01 0.10 -0.26 1.56 -0.69 0.00 0.00 178.15 178.87 2uzg h GLN 55 N 0.57 0.98 -0.11 2.37 4.20 -1.47 -2.75 115.11 118.89 2uzg h GLN 55 Ca 0.28 -0.44 -0.09 0.00 0.06 0.00 0.00 58.65 58.46 2uzg h GLN 55 Cb 0.22 -0.02 -0.01 0.00 0.30 0.00 0.00 27.48 27.97 2uzg h GLN 55 CO -0.21 1.11 -0.33 0.87 -0.67 0.00 0.00 178.83 179.60 2uzg h LYS 56 N 0.83 0.22 0.00 1.46 1.57 -1.11 -2.15 116.57 117.38 2uzg h LYS 56 Ca 0.10 -0.09 0.00 0.00 -1.87 0.00 0.00 60.65 58.79 2uzg h LYS 56 Cb 0.84 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 33.14 2uzg h LYS 56 CO 0.07 0.53 0.00 -1.13 -0.57 0.00 0.00 179.45 178.36 2uzg n SER 57 N -4.10 0.40 0.30 0.86 3.41 0.22 -2.71 113.62 112.00 2uzg n SER 57 Ca -0.01 0.60 0.20 0.00 -0.26 0.00 0.00 58.87 59.40 2uzg n SER 57 Cb 0.42 -0.69 1.03 0.00 -0.26 0.00 0.00 64.21 64.71 2uzg n SER 57 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 2uzg h LEU 58 N 0.00 0.00 -1.16 1.04 3.38 -1.23 -3.46 115.31 113.88 2uzg h LEU 58 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2uzg h LEU 58 Cb 0.31 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.06 2uzg h LEU 58 CO 0.00 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.14 2uzg n GLY 59 N -0.88 0.50 3.03 0.83 0.00 -1.10 -4.84 105.19 102.72 2uzg n GLY 59 Ca -0.02 -0.30 -0.13 0.00 0.00 0.00 0.00 46.02 45.58 2uzg n GLY 59 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2uzg s THR 60 N -2.24 -0.01 0.09 2.61 2.01 -1.26 -0.85 115.64 115.99 2uzg s THR 60 Ca 0.00 0.02 -0.22 0.00 0.31 0.00 0.00 61.69 61.80 2uzg s THR 60 Cb 0.00 -0.24 -0.07 0.00 0.01 0.00 0.00 72.50 72.21 2uzg s THR 60 CO 0.00 0.01 0.67 0.00 -0.69 0.00 0.00 174.62 174.61 2uzg h GLN 62 N 4.78 0.00 0.00 0.00 4.15 -1.61 -3.34 115.11 119.08 2uzg h GLN 62 Ca -0.47 0.00 -0.02 0.00 0.77 0.00 0.00 58.65 58.93 2uzg h GLN 62 Cb 1.21 0.00 -0.00 0.00 0.21 0.00 0.00 27.48 28.90 2uzg h GLN 62 CO 0.66 0.69 -0.13 0.22 -1.93 0.00 0.00 178.83 178.34 2uzg h ASP 63 N 0.00 0.00 -4.05 -0.69 1.82 -1.94 -3.49 116.42 108.08 2uzg h ASP 63 Ca -0.01 -0.65 -0.32 0.00 -0.39 0.00 0.00 57.03 55.66 2uzg h ASP 63 Cb 1.38 0.00 -0.06 0.00 0.68 0.00 0.00 39.33 41.34 2uzg h ASP 63 CO 0.09 0.90 -0.22 0.00 -1.61 0.00 0.00 179.24 178.39 2uzg n LYS 65 N -0.66 2.65 -3.27 0.00 2.85 -1.26 -4.01 118.16 114.45 2uzg n LYS 65 Ca -0.09 -3.23 -0.39 0.00 -1.05 0.00 0.00 58.31 53.55 2uzg n LYS 65 Cb 0.31 -2.24 -0.06 0.00 -0.65 0.00 0.00 35.03 32.39 2uzg n LYS 65 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 177.40 177.43 2uzg s VAL 66 N -4.66 5.14 0.04 0.58 1.01 -1.26 -4.92 120.40 116.32 2uzg s VAL 66 Ca 0.59 0.96 -0.13 0.00 0.00 0.00 0.00 61.98 63.39 2uzg s VAL 66 Cb 0.47 -3.83 -0.06 0.00 0.00 0.00 0.00 36.38 32.96 2uzg s VAL 66 CO -0.15 0.24 0.42 -1.10 0.00 0.00 0.00 175.10 174.51 2uzg s GLN 67 N 1.20 3.88 0.00 2.72 1.11 -1.26 -1.52 119.66 125.79 2uzg s GLN 67 Ca 0.25 0.36 0.00 0.00 0.01 0.00 0.00 55.36 55.98 2uzg s GLN 67 Cb -0.15 -3.13 0.00 0.00 -1.01 0.00 0.00 33.01 28.71 2uzg s GLN 67 CO 0.10 0.64 0.00 0.41 0.01 0.00 0.00 175.29 176.45 2uzg n GLY 68 N 1.48 -2.90 0.23 3.09 0.00 -0.03 -4.79 105.19 102.27 2uzg n GLY 68 Ca -0.12 -0.90 -0.07 0.00 0.00 0.00 0.00 46.02 44.94 2uzg n GLY 68 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 2uzg h PRO 69 N 0.00 0.74 -5.20 1.61 0.11 -1.96 -3.48 132.00 123.82 2uzg h PRO 69 Ca 0.00 -0.07 -0.32 0.00 0.11 0.00 0.00 66.00 65.73 2uzg h PRO 69 Cb 0.00 -0.15 -0.06 0.00 0.11 0.00 0.00 31.00 30.90 2uzg h PRO 69 CO 0.00 0.53 1.37 0.09 -0.21 0.00 0.00 178.00 179.78 2uzg n ASN 70 N -4.66 0.47 -3.88 -2.05 4.13 -1.26 -4.48 115.26 103.53 2uzg n ASN 70 Ca 0.03 -0.63 -0.11 0.00 1.68 0.00 0.00 54.58 55.55 2uzg n ASN 70 Cb 0.05 -1.11 -0.11 0.00 -1.54 0.00 0.00 39.78 37.07 2uzg n ASN 70 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 2uzg s LEU 71 N 8.19 1.72 0.28 3.41 1.43 -1.26 -4.79 118.68 127.66 2uzg s LEU 71 Ca 1.17 -0.10 0.09 0.00 -1.03 0.00 0.00 54.13 54.26 2uzg s LEU 71 Cb -0.63 0.42 -0.04 0.00 0.03 0.00 0.00 46.19 45.97 2uzg s LEU 71 CO 0.37 -0.22 0.07 0.26 0.23 0.00 0.00 176.35 177.06 2uzg s TRP 72 N -0.81 2.78 -0.04 0.29 0.52 0.55 -1.32 118.94 120.91 2uzg s TRP 72 Ca -0.09 -0.24 -0.04 0.00 0.02 0.00 0.00 56.10 55.75 2uzg s TRP 72 Cb -0.05 -1.35 0.01 0.00 -1.15 0.00 0.00 33.47 30.93 2uzg s TRP 72 CO 0.00 0.53 0.11 0.00 0.02 0.00 0.00 176.95 177.61 2uzg s ALA 73 N -2.31 -0.27 0.25 0.98 0.00 -0.31 -0.76 121.76 119.34 2uzg s ALA 73 Ca 0.33 0.34 -0.31 0.00 0.00 0.00 0.00 51.96 52.32 2uzg s ALA 73 Cb -0.06 -0.20 -0.13 0.00 0.00 0.00 0.00 23.12 22.73 2uzg s ALA 73 CO 0.22 -0.06 1.42 0.00 0.00 0.00 0.00 175.76 177.33 2uzg n LEU 75 N 2.06 0.51 -4.67 0.00 7.94 -0.69 -4.69 117.00 117.45 2uzg n LEU 75 Ca 0.11 0.02 -0.41 0.00 -1.11 0.00 0.00 56.01 54.62 2uzg n LEU 75 Cb 0.32 -0.25 0.01 0.00 0.53 0.00 0.00 43.42 44.04 2uzg n LEU 75 CO 0.63 0.11 0.79 1.21 -1.11 0.00 0.00 177.39 179.02 2uzg n GLU 76 N -1.54 1.75 -0.09 1.96 0.00 -1.25 -4.12 120.64 117.34 2uzg n GLU 76 Ca 0.05 0.62 -0.12 0.00 0.00 0.00 0.00 57.16 57.72 2uzg n GLU 76 Cb 0.34 -2.27 -0.04 0.00 0.00 0.00 0.00 31.44 29.47 2uzg n GLU 76 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 177.13 176.16 2uzg h ASN 77 N 1.93 0.49 1.82 4.31 -1.24 -1.87 -3.09 115.58 117.93 2uzg h ASN 77 Ca -0.47 -0.36 -0.02 0.00 0.71 0.00 0.00 56.30 56.17 2uzg h ASN 77 Cb 1.31 -0.13 -0.00 0.00 0.73 0.00 0.00 38.32 40.22 2uzg h ASN 77 CO 0.59 0.73 -0.19 0.03 -1.29 0.00 0.00 177.43 177.31 2uzg h ARG 78 N 0.23 0.00 -5.24 6.67 3.08 -1.95 -3.44 114.38 113.73 2uzg h ARG 78 Ca 0.06 0.00 -0.62 0.00 0.07 0.00 0.00 59.98 59.50 2uzg h ARG 78 Cb 0.52 0.00 -0.16 0.00 0.08 0.00 0.00 29.97 30.41 2uzg h ARG 78 CO 0.02 0.07 -0.55 0.00 -1.07 0.00 0.00 179.97 178.44 2uzg n SER 80 N 3.68 3.38 -4.83 0.00 7.64 -1.26 -3.97 113.62 118.26 2uzg n SER 80 Ca -0.16 -3.02 -0.34 0.00 1.01 0.00 0.00 58.87 56.36 2uzg n SER 80 Cb 0.52 -0.42 -0.06 0.00 -1.01 0.00 0.00 64.21 63.24 2uzg n SER 80 CO 0.00 0.00 0.00 -0.47 -3.01 0.00 0.00 175.04 171.56 2uzg s TYR 81 N -3.64 3.43 -0.23 1.43 5.04 -1.26 -4.88 117.35 117.23 2uzg s TYR 81 Ca 0.40 1.45 -0.06 0.00 -2.44 0.00 0.00 57.07 56.43 2uzg s TYR 81 Cb 0.38 -2.71 -0.02 0.00 0.35 0.00 0.00 41.96 39.96 2uzg s TYR 81 CO -0.01 0.07 0.01 0.08 -1.34 0.00 0.00 175.55 174.36 2uzg s VAL 82 N -1.95 3.82 0.17 3.14 1.01 -1.26 -0.48 120.40 124.86 2uzg s VAL 82 Ca 0.55 -0.34 0.06 0.00 0.00 0.00 0.00 61.98 62.25 2uzg s VAL 82 Cb -0.12 -2.77 -0.04 0.00 0.00 0.00 0.00 36.38 33.45 2uzg s VAL 82 CO 0.17 0.38 -0.12 -0.83 0.00 0.00 0.00 175.10 174.70 2uzg s GLY 83 N 1.54 1.22 -0.12 4.51 0.00 0.06 -1.43 107.32 113.11 2uzg s GLY 83 Ca 0.06 -1.56 -0.05 0.00 0.00 0.00 0.00 44.72 43.17 2uzg s GLY 83 CO 0.00 -1.65 0.08 0.00 0.00 0.00 0.00 173.10 171.52 2uzg n GLY 85 N 2.26 -3.44 0.30 0.00 0.00 -1.26 0.59 105.19 103.64 2uzg n GLY 85 Ca -0.19 -1.35 0.21 0.00 0.00 0.00 0.00 46.02 44.68 2uzg n GLY 85 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 2uzg h GLU 86 N 0.00 0.00 0.00 1.61 9.09 -1.89 0.40 114.58 123.79 2uzg h GLU 86 Ca -0.29 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.12 2uzg h GLU 86 Cb 0.93 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.03 2uzg h GLU 86 CO 0.18 0.00 0.00 0.77 0.05 0.00 0.00 179.01 180.01 2uzg h SER 87 N 0.00 0.00 0.00 3.06 0.02 -1.99 -3.37 113.55 111.27 2uzg h SER 87 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2uzg h SER 87 Cb 0.02 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.56 2uzg h SER 87 CO 0.00 0.00 0.00 0.00 -1.14 0.00 0.00 176.83 175.69 2uzg n GLN 88 N -2.95 0.00 -0.23 3.45 1.13 -0.52 -4.98 117.38 113.28 2uzg n GLN 88 Ca -0.02 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.04 2uzg n GLN 88 Cb 0.12 0.00 0.00 0.00 0.11 0.00 0.00 30.24 30.47 2uzg n GLN 88 CO 0.00 0.00 0.00 0.28 -1.44 0.00 0.00 177.06 175.90 2uzg n VAL 89 N -2.45 0.00 -2.40 5.09 0.31 -0.98 -5.00 118.33 112.90 2uzg n VAL 89 Ca 0.00 0.00 -0.08 0.00 -0.01 0.00 0.00 64.34 64.25 2uzg n VAL 89 Cb 0.00 0.72 -0.01 0.00 -0.91 0.00 0.00 33.84 33.64 2uzg n VAL 89 CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84 2uzg n ASP 90 N 0.00 -2.82 -0.18 4.52 2.03 0.13 -4.78 116.55 115.45 2uzg n ASP 90 Ca 0.00 0.30 0.12 0.00 0.52 0.00 0.00 54.79 55.73 2uzg n ASP 90 Cb 0.58 -2.47 0.44 0.00 -0.72 0.00 0.00 41.12 38.95 2uzg n ASP 90 CO 0.00 0.00 0.00 0.45 -1.92 0.00 0.00 177.20 175.73 2uzg h HIS 91 N 0.00 0.62 -0.79 -0.67 3.86 -0.01 0.72 115.15 118.88 2uzg h HIS 91 Ca -0.19 0.02 0.01 0.00 -1.16 0.00 0.00 60.37 59.05 2uzg h HIS 91 Cb 1.11 -0.20 -0.04 0.00 1.06 0.00 0.00 27.41 29.34 2uzg h HIS 91 CO 0.74 0.27 0.52 0.77 0.86 0.00 0.00 177.93 181.10 2uzg h SER 92 N 0.56 0.89 0.01 2.45 0.02 -1.63 0.21 113.55 116.07 2uzg h SER 92 Ca 0.36 -0.02 -0.00 0.00 -0.84 0.00 0.00 61.79 61.28 2uzg h SER 92 Cb 0.61 -0.22 0.00 0.00 0.14 0.00 0.00 62.40 62.93 2uzg h SER 92 CO -0.13 0.64 -0.01 0.74 -1.14 0.00 0.00 176.83 176.93 2uzg h THR 93 N 1.05 1.40 -0.06 -2.27 2.02 -1.16 -0.91 112.91 112.98 2uzg h THR 93 Ca 0.29 -1.28 0.02 0.00 0.77 0.00 0.00 66.41 66.21 2uzg h THR 93 Cb -0.09 2.26 -0.02 0.00 -1.74 0.00 0.00 68.15 68.56 2uzg h THR 93 CO -0.07 0.33 -0.06 0.40 0.37 0.00 0.00 175.52 176.49 2uzg h ILE 94 N -0.57 0.81 -0.87 3.11 2.04 -1.08 -1.42 117.51 119.53 2uzg h ILE 94 Ca -0.00 0.00 0.04 0.00 1.00 0.00 0.00 64.86 65.89 2uzg h ILE 94 Cb 0.55 0.81 -0.05 0.00 -0.74 0.00 0.00 36.82 37.40 2uzg h ILE 94 CO 0.00 0.00 0.57 -0.74 0.00 0.00 0.00 178.15 177.98 2uzg h HIS 95 N -0.09 1.04 -0.68 1.37 2.76 -0.65 -0.65 115.15 118.25 2uzg h HIS 95 Ca 0.05 0.03 0.03 0.00 -2.20 0.00 0.00 60.37 58.28 2uzg h HIS 95 Cb 0.15 -0.35 -0.04 0.00 1.55 0.00 0.00 27.41 28.72 2uzg h HIS 95 CO -0.16 0.60 0.42 1.03 -1.30 0.00 0.00 177.93 178.52 2uzg h SER 96 N 1.08 0.68 -0.04 3.26 0.87 -0.26 -1.90 113.55 117.24 2uzg h SER 96 Ca 0.35 0.00 -0.02 0.00 -1.23 0.00 0.00 61.79 60.89 2uzg h SER 96 Cb 0.03 -0.14 -0.00 0.00 -0.44 0.00 0.00 62.40 61.85 2uzg h SER 96 CO -0.10 0.47 -0.06 1.56 -0.53 0.00 0.00 176.83 178.17 2uzg h GLN 97 N 0.82 0.12 -0.60 2.24 7.50 -0.47 0.89 115.11 125.61 2uzg h GLN 97 Ca 0.28 -0.07 0.13 0.00 0.50 0.00 0.00 58.65 59.48 2uzg h GLN 97 Cb 0.04 0.01 -0.11 0.00 0.05 0.00 0.00 27.48 27.47 2uzg h GLN 97 CO -0.12 0.61 -0.04 0.93 -1.50 0.00 0.00 178.83 178.72 2uzg h GLU 98 N -0.36 0.08 -0.41 1.46 5.08 -0.93 -1.75 114.58 117.75 2uzg h GLU 98 Ca 0.01 -0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2uzg h GLU 98 Cb 0.60 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.83 2uzg h GLU 98 CO 0.01 0.05 0.00 0.25 -1.00 0.00 0.00 179.01 178.33 2uzg n THR 99 N -5.31 1.68 -1.68 1.13 -2.24 -0.73 -4.94 114.28 102.18 2uzg n THR 99 Ca 0.08 -1.35 -0.16 0.00 -2.27 0.00 0.00 64.05 60.35 2uzg n THR 99 Cb 0.34 0.14 -0.06 0.00 -2.10 0.00 0.00 70.33 68.65 2uzg n THR 99 CO 0.00 0.00 0.00 2.29 -0.57 0.00 0.00 175.07 176.79 2uzg n LYS 100 N 0.35 -1.49 -2.78 -0.78 -0.00 0.19 -4.89 118.16 108.76 2uzg n LYS 100 Ca 0.19 0.92 -0.43 0.00 -0.00 0.00 0.00 58.31 58.99 2uzg n LYS 100 Cb 0.72 -5.29 -0.03 0.00 -0.00 0.00 0.00 35.03 30.42 2uzg n LYS 100 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.40 176.39 2uzg s HIS 101 N -2.47 2.69 -0.28 5.58 3.76 0.25 -4.87 115.29 119.96 2uzg s HIS 101 Ca 0.00 -0.71 0.02 0.00 -0.15 0.00 0.00 55.06 54.22 2uzg s HIS 101 Cb 0.00 -4.41 0.38 0.00 1.11 0.00 0.00 32.58 29.67 2uzg s HIS 101 CO 0.00 -1.73 1.61 0.66 -0.85 0.00 0.00 174.74 174.43 2uzg n TYR 102 N 7.89 1.84 -3.81 1.40 4.02 -1.26 -4.01 117.16 123.23 2uzg n TYR 102 Ca 0.09 -1.41 -0.25 0.00 -0.01 0.00 0.00 57.90 56.31 2uzg n TYR 102 Cb 0.48 -0.72 -0.17 0.00 -0.02 0.00 0.00 39.34 38.91 2uzg n TYR 102 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 176.86 175.34 2uzg s LEU 103 N -2.00 0.95 -0.01 7.72 2.01 -1.26 -1.53 118.68 124.56 2uzg s LEU 103 Ca 0.35 -0.33 0.01 0.00 0.01 0.00 0.00 54.13 54.16 2uzg s LEU 103 Cb 0.29 -0.62 0.01 0.00 0.01 0.00 0.00 46.19 45.88 2uzg s LEU 103 CO 0.06 -0.19 -0.01 0.28 1.01 0.00 0.00 176.35 177.49 2uzg s THR 104 N 1.85 0.16 -0.13 5.49 -1.32 -0.80 -1.71 115.64 119.17 2uzg s THR 104 Ca 0.03 -0.03 0.03 0.00 -1.21 0.00 0.00 61.69 60.52 2uzg s THR 104 Cb -0.13 -0.18 0.01 0.00 -1.51 0.00 0.00 72.50 70.68 2uzg s THR 104 CO -0.07 0.08 -0.22 0.54 -2.21 0.00 0.00 174.62 172.74 2uzg s VAL 105 N 0.30 2.04 -0.16 5.08 0.11 -0.52 0.35 120.40 127.60 2uzg s VAL 105 Ca -0.03 -0.97 -0.29 0.00 -2.93 0.00 0.00 61.98 57.76 2uzg s VAL 105 Cb -0.05 -1.79 -0.00 0.00 -1.53 0.00 0.00 36.38 33.01 2uzg s VAL 105 CO -0.01 0.55 1.02 0.54 -3.33 0.00 0.00 175.10 173.87 2uzg s ASN 106 N 0.72 7.18 0.42 3.54 2.20 0.27 -1.16 114.94 128.10 2uzg s ASN 106 Ca -0.10 1.46 0.29 0.00 -0.94 0.00 0.00 52.86 53.57 2uzg s ASN 106 Cb -0.16 -2.55 1.07 0.00 -2.00 0.00 0.00 41.25 37.61 2uzg s ASN 106 CO 0.00 -0.54 1.84 -0.07 -2.94 0.00 0.00 177.10 175.39 2uzg h LEU 107 N 8.65 0.00 0.00 3.54 3.38 -1.52 0.53 115.31 129.89 2uzg h LEU 107 Ca -0.26 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 57.55 2uzg h LEU 107 Cb 1.11 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.83 2uzg h LEU 107 CO 0.91 0.00 -0.87 0.74 0.09 0.00 0.00 178.44 179.31 2uzg h THR 108 N 0.00 1.09 -0.00 0.22 2.02 -1.79 -3.35 112.91 111.10 2uzg h THR 108 Ca 0.00 -2.61 0.00 0.00 0.77 0.00 0.00 66.41 64.57 2uzg h THR 108 Cb 0.56 2.51 0.00 0.00 -1.74 0.00 0.00 68.15 69.47 2uzg h THR 108 CO 0.00 0.62 -0.03 0.41 0.37 0.00 0.00 175.52 176.90 2uzg n THR 109 N -3.21 0.00 -2.73 3.16 -1.04 -1.15 -5.00 114.28 104.32 2uzg n THR 109 Ca -0.01 -0.49 -0.20 0.00 -2.04 0.00 0.00 64.05 61.31 2uzg n THR 109 Cb 0.84 1.01 0.01 0.00 -1.82 0.00 0.00 70.33 70.36 2uzg n THR 109 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 2uzg n LEU 110 N -0.52 -1.95 -4.53 -4.42 4.77 0.19 -4.97 117.00 105.56 2uzg n LEU 110 Ca 0.00 -0.10 -0.30 0.00 -0.03 0.00 0.00 56.01 55.58 2uzg n LEU 110 Cb 0.02 -2.68 -0.11 0.00 -2.33 0.00 0.00 43.42 38.32 2uzg n LEU 110 CO 0.01 -0.01 -0.45 -0.13 -1.33 0.00 0.00 177.39 175.49 2uzg s ARG 111 N -5.37 2.13 0.08 3.23 0.52 -1.16 -4.93 118.95 113.45 2uzg s ARG 111 Ca 0.15 -0.98 0.03 0.00 -0.52 0.00 0.00 55.73 54.40 2uzg s ARG 111 Cb -0.07 -2.27 -0.04 0.00 0.52 0.00 0.00 34.95 33.09 2uzg s ARG 111 CO 0.18 0.53 0.09 0.08 0.02 0.00 0.00 175.30 176.20 2uzg s VAL 112 N -1.07 4.60 0.01 3.52 1.01 -1.19 -0.57 120.40 126.71 2uzg s VAL 112 Ca 0.18 -0.74 0.04 0.00 0.00 0.00 0.00 61.98 61.46 2uzg s VAL 112 Cb -0.11 -3.22 -0.01 0.00 0.00 0.00 0.00 36.38 33.04 2uzg s VAL 112 CO 0.09 0.12 -0.11 0.86 0.00 0.00 0.00 175.10 176.06 2uzg s TRP 113 N -1.40 1.01 -0.27 5.22 -0.11 0.15 -1.20 118.94 122.34 2uzg s TRP 113 Ca 0.30 -0.26 -0.02 0.00 1.22 0.00 0.00 56.10 57.34 2uzg s TRP 113 Cb -0.12 -0.63 0.04 0.00 -1.50 0.00 0.00 33.47 31.26 2uzg s TRP 113 CO 0.22 -0.00 -0.03 0.00 -4.62 0.00 0.00 176.95 172.52 2uzg h TYR 115 N 8.01 0.91 0.28 0.00 0.99 -1.54 0.13 116.97 125.73 2uzg h TYR 115 Ca -0.27 -0.26 -0.01 0.00 2.00 0.00 0.00 58.73 60.19 2uzg h TYR 115 Cb 1.09 -0.20 0.00 0.00 1.00 0.00 0.00 36.73 38.62 2uzg h TYR 115 CO 0.60 1.02 -0.13 0.00 -0.00 0.00 0.00 178.16 179.65 2uzg h ALA 116 N 0.74 -0.37 -0.00 3.88 0.00 -1.95 -2.53 119.26 119.02 2uzg h ALA 116 Ca 0.06 -0.08 -0.09 0.00 0.00 0.00 0.00 54.91 54.79 2uzg h ALA 116 Cb 0.85 0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.77 2uzg h ALA 116 CO 0.07 -0.71 -0.45 0.00 0.00 0.00 0.00 179.25 178.17 2uzg n SER 118 N -4.01 -2.52 -3.60 0.00 7.64 0.37 -5.05 113.62 106.45 2uzg n SER 118 Ca -0.02 -0.16 0.02 0.00 1.01 0.00 0.00 58.87 59.72 2uzg n SER 118 Cb 0.47 -1.66 0.01 0.00 -1.01 0.00 0.00 64.21 62.02 2uzg n SER 118 CO 0.00 0.00 0.00 2.29 -3.01 0.00 0.00 175.04 174.32 2uzg n LYS 119 N -1.85 0.19 -3.23 1.43 -0.00 -0.74 -5.04 118.16 108.93 2uzg n LYS 119 Ca -0.05 -0.75 -0.34 0.00 -0.00 0.00 0.00 58.31 57.17 2uzg n LYS 119 Cb 0.54 1.22 -0.06 0.00 -0.00 0.00 0.00 35.03 36.73 2uzg n LYS 119 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.40 175.40 2uzg s GLU 120 N -2.02 4.01 0.14 -1.58 -6.30 -1.26 -0.46 118.70 111.24 2uzg s GLU 120 Ca 0.28 0.60 -0.02 0.00 -2.50 0.00 0.00 54.97 53.32 2uzg s GLU 120 Cb -0.01 -2.69 -0.04 0.00 0.00 0.00 0.00 34.13 31.40 2uzg s GLU 120 CO -0.00 0.31 0.09 0.14 0.02 0.00 0.00 175.26 175.82 2uzg s VAL 121 N -1.73 0.09 0.10 3.70 -7.23 -0.34 -4.84 120.40 110.15 2uzg s VAL 121 Ca 0.47 -1.87 0.09 0.00 -1.81 0.00 0.00 61.98 58.86 2uzg s VAL 121 Cb -0.13 -2.07 -0.04 0.00 0.56 0.00 0.00 36.38 34.71 2uzg s VAL 121 CO 0.19 -0.41 -0.23 0.72 -0.31 0.00 0.00 175.10 175.07 2uzg s PHE 122 N -4.05 1.95 0.12 2.82 -0.12 -1.26 -3.19 117.98 114.25 2uzg s PHE 122 Ca 0.25 -0.40 -0.31 0.00 -0.05 0.00 0.00 56.93 56.42 2uzg s PHE 122 Cb 0.07 -1.07 -0.07 0.00 -0.63 0.00 0.00 43.02 41.31 2uzg s PHE 122 CO 0.03 0.23 1.30 -1.17 -0.05 0.00 0.00 175.22 175.56 2uzg s LEU 123 N -1.89 4.39 0.05 -1.99 1.98 -1.26 -4.94 118.68 115.02 2uzg s LEU 123 Ca 0.09 2.24 -0.21 0.00 -2.89 0.00 0.00 54.13 53.36 2uzg s LEU 123 Cb -0.10 -3.59 -0.13 0.00 0.66 0.00 0.00 46.19 43.03 2uzg s LEU 123 CO 0.05 -0.55 1.44 -0.78 -1.89 0.00 0.00 176.35 174.61 2uzg h ASP 124 N 6.41 0.31 -0.13 3.68 3.58 -1.87 -2.96 116.42 125.44 2uzg h ASP 124 Ca -0.43 -0.37 0.00 0.00 0.42 0.00 0.00 57.03 56.65 2uzg h ASP 124 Cb 1.21 -0.09 -0.01 0.00 1.72 0.00 0.00 39.33 42.17 2uzg h ASP 124 CO 0.82 0.61 0.09 -0.09 -2.88 0.00 0.00 179.24 177.79 2uzg h ARG 125 N 0.01 0.18 -3.31 0.28 2.43 -1.92 -3.04 114.38 109.00 2uzg h ARG 125 Ca 0.04 -0.01 -0.74 0.00 -0.81 0.00 0.00 59.98 58.46 2uzg h ARG 125 Cb 0.48 -0.04 -0.32 0.00 -0.42 0.00 0.00 29.97 29.66 2uzg h ARG 125 CO 0.02 0.12 0.16 1.17 -1.51 0.00 0.00 179.97 179.92 2uzg n LYS 126 N -4.52 3.11 -2.70 0.20 4.81 -1.12 -4.85 118.16 113.10 2uzg n LYS 126 Ca -0.01 -4.49 -0.01 0.00 -0.87 0.00 0.00 58.31 52.93 2uzg n LYS 126 Cb 0.08 -2.46 -0.01 0.00 0.02 0.00 0.00 35.03 32.66 2uzg n LYS 126 CO 0.00 0.00 0.00 1.28 1.17 0.00 0.00 177.40 179.85 2uzg n LEU 127 N 2.27 -7.78 -2.85 3.14 4.77 -1.23 -4.49 117.00 110.84 2uzg n LEU 127 Ca 0.23 1.56 -0.11 0.00 -0.03 0.00 0.00 56.01 57.66 2uzg n LEU 127 Cb 0.37 -3.35 0.05 0.00 -2.33 0.00 0.00 43.42 38.17 2uzg n LEU 127 CO 0.43 -3.34 0.17 0.61 -1.33 0.00 0.00 177.39 173.93 2uzg n GLY 128 N 0.84 1.20 0.09 -0.72 0.00 -1.15 -4.65 105.19 100.79 2uzg n GLY 128 Ca -0.06 -0.38 -0.10 0.00 0.00 0.00 0.00 46.02 45.48 2uzg n GLY 128 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2uzg n THR 129 N 0.65 1.11 -1.21 2.61 -2.24 -1.26 -4.81 114.28 109.14 2uzg n THR 129 Ca 0.11 -0.57 0.00 0.00 -2.27 0.00 0.00 64.05 61.32 2uzg n THR 129 Cb 0.67 -0.86 0.00 0.00 -2.10 0.00 0.00 70.33 68.04 2uzg n THR 129 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50