#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 0.26 -3.14 0.55 3.02 -1.26 -5.00 115.26 109.69 2uzg n ASN 37 Ca 0.00 0.19 -0.19 0.00 -0.03 0.00 0.00 54.58 54.55 2uzg n ASN 37 Cb 0.00 -0.54 0.19 0.00 -0.61 0.00 0.00 39.78 38.81 2uzg n ASN 37 CO 0.00 0.00 0.00 1.57 -2.62 0.00 0.00 177.26 176.21 2uzg n HIS 38 N -2.66 -3.15 -3.29 3.10 -0.00 -1.26 -4.97 115.22 103.00 2uzg n HIS 38 Ca -0.01 -0.52 -0.38 0.00 0.46 0.00 0.00 57.72 57.27 2uzg n HIS 38 Cb 0.05 -0.79 -0.06 0.00 -0.12 0.00 0.00 29.99 29.07 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 6.10 0.58 -0.48 0.00 0.13 -1.96 -0.86 132.00 135.51 2uzg h PRO 40 Ca -0.44 -0.24 0.08 0.00 -0.87 0.00 0.00 66.00 64.53 2uzg h PRO 40 Cb 1.19 -0.02 -0.10 0.00 0.13 0.00 0.00 31.00 32.20 2uzg h PRO 40 CO 0.72 0.81 -0.37 0.45 -0.23 0.00 0.00 178.00 179.38 2uzg h HIS 41 N 0.33 -1.05 0.01 1.56 3.86 -1.98 0.46 115.15 118.34 2uzg h HIS 41 Ca 0.07 0.07 -0.19 0.00 -1.16 0.00 0.00 60.37 59.15 2uzg h HIS 41 Cb 0.62 0.53 -0.02 0.00 1.06 0.00 0.00 27.41 29.60 2uzg h HIS 41 CO 0.06 -0.40 -0.89 1.37 0.86 0.00 0.00 177.93 178.92 2uzg h LEU 42 N -0.25 0.15 -2.62 2.43 8.10 -1.91 -3.12 115.31 118.09 2uzg h LEU 42 Ca 0.18 -0.13 -0.00 0.00 0.11 0.00 0.00 57.88 58.04 2uzg h LEU 42 Cb 0.56 -0.05 -0.00 0.00 -0.44 0.00 0.00 40.66 40.73 2uzg h LEU 42 CO -0.61 0.96 -0.01 -0.78 -4.11 0.00 0.00 178.44 173.89 2uzg h ASP 43 N 0.06 0.00 0.12 0.17 -0.00 0.10 -2.56 116.42 114.31 2uzg h ASP 43 Ca -0.03 0.00 -0.29 0.00 -0.00 0.00 0.00 57.03 56.71 2uzg h ASP 43 Cb 1.54 0.00 -0.00 0.00 -0.00 0.00 0.00 39.33 40.87 2uzg h ASP 43 CO 0.13 0.01 -1.47 0.28 -0.00 0.00 0.00 179.24 178.19 2uzg h SER 44 N 0.00 0.41 -3.12 2.28 0.02 -0.90 -3.46 113.55 108.79 2uzg h SER 44 Ca -0.00 -0.87 -0.54 0.00 -0.84 0.00 0.00 61.79 59.54 2uzg h SER 44 Cb 0.07 -0.13 -0.01 0.00 0.14 0.00 0.00 62.40 62.47 2uzg h SER 44 CO 0.00 1.65 0.65 0.68 -1.14 0.00 0.00 176.83 178.67 2uzg s VAL 45 N -2.49 4.14 0.00 2.27 -7.23 -0.97 -4.94 120.40 111.18 2uzg s VAL 45 Ca -0.19 1.50 0.00 0.00 -1.81 0.00 0.00 61.98 61.48 2uzg s VAL 45 Cb 0.05 -3.96 0.00 0.00 0.56 0.00 0.00 36.38 33.02 2uzg s VAL 45 CO 0.78 0.05 0.00 0.61 -0.31 0.00 0.00 175.10 176.22 2uzg n GLY 46 N 3.32 -2.02 3.64 2.32 0.00 -1.26 -4.79 105.19 106.41 2uzg n GLY 46 Ca 0.10 -1.13 -0.24 0.00 0.00 0.00 0.00 46.02 44.76 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 0.00 2.16 -0.06 1.61 2.12 -1.26 -4.53 118.70 118.73 2uzg s GLU 47 Ca 0.00 -1.63 -0.03 0.00 0.36 0.00 0.00 54.97 53.67 2uzg s GLU 47 Cb 0.00 -2.02 -0.04 0.00 0.26 0.00 0.00 34.13 32.33 2uzg s GLU 47 CO 0.00 0.20 0.07 -1.50 -0.54 0.00 0.00 175.26 173.49 2uzg s ILE 48 N -2.45 4.79 0.61 -3.70 2.07 -1.26 -4.74 121.20 116.51 2uzg s ILE 48 Ca 0.34 -0.19 -0.11 0.00 -1.41 0.00 0.00 60.65 59.29 2uzg s ILE 48 Cb -0.02 -3.10 -0.04 0.00 0.13 0.00 0.00 42.46 39.42 2uzg s ILE 48 CO 0.20 0.51 1.01 0.42 -1.91 0.00 0.00 174.94 175.17 2uzg s THR 49 N -1.04 4.73 0.19 4.00 -4.23 -1.26 -4.92 115.64 113.10 2uzg s THR 49 Ca 0.17 0.82 -0.12 0.00 -1.18 0.00 0.00 61.69 61.39 2uzg s THR 49 Cb -0.12 -3.87 0.11 0.00 1.34 0.00 0.00 72.50 69.96 2uzg s THR 49 CO 0.07 -1.12 1.84 0.11 -0.54 0.00 0.00 174.62 174.98 2uzg h LYS 50 N -0.27 0.88 -0.49 3.99 1.57 -1.99 -1.57 116.57 118.69 2uzg h LYS 50 Ca -0.44 -0.07 0.03 0.00 -1.87 0.00 0.00 60.65 58.30 2uzg h LYS 50 Cb 1.19 -0.19 -0.03 0.00 0.08 0.00 0.00 32.23 33.29 2uzg h LYS 50 CO 0.62 0.62 0.33 0.93 -0.57 0.00 0.00 179.45 181.37 2uzg h GLU 51 N 0.89 0.52 -0.17 3.15 5.08 -1.99 0.38 114.58 122.44 2uzg h GLU 51 Ca 0.24 -0.03 -0.15 0.00 -1.00 0.00 0.00 59.36 58.41 2uzg h GLU 51 Cb -0.04 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.10 2uzg h GLU 51 CO -0.05 0.34 -0.50 -0.44 -1.00 0.00 0.00 179.01 177.37 2uzg h ASP 52 N 0.53 0.73 0.43 1.42 3.32 -1.75 -3.19 116.42 117.91 2uzg h ASP 52 Ca 0.20 -0.59 -0.13 0.00 0.02 0.00 0.00 57.03 56.52 2uzg h ASP 52 Cb 0.13 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 39.45 2uzg h ASP 52 CO -0.05 1.19 -0.58 -0.07 -1.72 0.00 0.00 179.24 178.01 2uzg h LEU 53 N 0.31 0.18 -0.46 1.55 3.38 -0.57 -3.13 115.31 116.56 2uzg h LEU 53 Ca -0.02 -0.10 0.06 0.00 0.09 0.00 0.00 57.88 57.92 2uzg h LEU 53 Cb 1.12 -0.05 -0.06 0.00 0.09 0.00 0.00 40.66 41.77 2uzg h LEU 53 CO 0.11 0.72 0.15 0.40 0.09 0.00 0.00 178.44 179.90 2uzg h ILE 54 N 0.12 0.82 -0.71 1.22 2.04 -0.26 0.88 117.51 121.62 2uzg h ILE 54 Ca -0.00 -0.11 -0.07 0.00 1.00 0.00 0.00 64.86 65.68 2uzg h ILE 54 Cb 1.06 0.49 -0.03 0.00 -0.74 0.00 0.00 36.82 37.59 2uzg h ILE 54 CO 0.08 0.06 0.17 1.56 0.00 0.00 0.00 178.15 180.03 2uzg h GLN 55 N 0.31 1.14 -0.10 2.37 7.50 -1.55 -2.17 115.11 122.60 2uzg h GLN 55 Ca 0.22 -0.27 -0.11 0.00 0.50 0.00 0.00 58.65 58.99 2uzg h GLN 55 Cb 0.24 -0.15 -0.01 0.00 0.05 0.00 0.00 27.48 27.61 2uzg h GLN 55 CO -0.24 1.00 -0.41 0.87 -1.50 0.00 0.00 178.83 178.54 2uzg h LYS 56 N 1.07 0.21 0.00 1.46 1.57 -1.27 -2.42 116.57 117.19 2uzg h LYS 56 Ca 0.22 -0.10 0.00 0.00 -1.87 0.00 0.00 60.65 58.90 2uzg h LYS 56 Cb 0.37 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.68 2uzg h LYS 56 CO 0.00 0.60 0.00 -1.13 -0.57 0.00 0.00 179.45 178.35 2uzg n SER 57 N -4.02 0.38 0.30 0.86 3.41 0.30 -2.86 113.62 111.98 2uzg n SER 57 Ca -0.02 0.59 0.20 0.00 -0.26 0.00 0.00 58.87 59.38 2uzg n SER 57 Cb 0.48 -0.67 1.02 0.00 -0.26 0.00 0.00 64.21 64.78 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 -1.04 1.04 3.38 -1.02 -3.46 115.31 114.22 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 0.34 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.09 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 -0.90 0.65 3.03 0.83 0.00 -1.13 -4.80 105.19 102.86 2uzg n GLY 59 Ca -0.02 -0.35 -0.13 0.00 0.00 0.00 0.00 46.02 45.52 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 -2.40 -0.01 0.12 2.61 2.01 -1.26 0.03 115.64 116.76 2uzg s THR 60 Ca 0.00 0.03 -0.21 0.00 0.31 0.00 0.00 61.69 61.81 2uzg s THR 60 Cb 0.00 -0.24 -0.07 0.00 0.01 0.00 0.00 72.50 72.20 2uzg s THR 60 CO 0.00 0.01 0.66 0.00 -0.69 0.00 0.00 174.62 174.60 2uzg h GLN 62 N 4.31 0.09 0.02 0.00 4.15 -1.18 -3.35 115.11 119.14 2uzg h GLN 62 Ca -0.48 -0.11 -0.00 0.00 0.77 0.00 0.00 58.65 58.83 2uzg h GLN 62 Cb 1.21 0.03 0.00 0.00 0.21 0.00 0.00 27.48 28.93 2uzg h GLN 62 CO 0.65 0.92 -0.01 0.22 -1.93 0.00 0.00 178.83 178.68 2uzg h ASP 63 N 0.04 -0.02 -5.43 -0.69 -0.00 -1.94 -3.48 116.42 104.90 2uzg h ASP 63 Ca -0.03 -0.64 -0.65 0.00 -0.00 0.00 0.00 57.03 55.72 2uzg h ASP 63 Cb 1.55 0.01 -0.10 0.00 -0.00 0.00 0.00 39.33 40.79 2uzg h ASP 63 CO 0.13 0.77 -0.41 0.00 -0.00 0.00 0.00 179.24 179.73 2uzg n LYS 65 N -1.52 3.38 -5.16 0.00 4.81 -1.26 -3.98 118.16 114.43 2uzg n LYS 65 Ca -0.14 -4.49 -0.29 0.00 -0.87 0.00 0.00 58.31 52.52 2uzg n LYS 65 Cb 0.66 -2.50 -0.16 0.00 0.02 0.00 0.00 35.03 33.05 2uzg n LYS 65 CO 0.00 0.00 0.00 0.54 1.17 0.00 0.00 177.40 179.11 2uzg s VAL 66 N -1.56 1.86 -0.15 3.15 0.11 -1.26 -4.99 120.40 117.55 2uzg s VAL 66 Ca 0.30 -0.99 -0.14 0.00 -2.93 0.00 0.00 61.98 58.22 2uzg s VAL 66 Cb -0.06 -1.55 -0.05 0.00 -1.53 0.00 0.00 36.38 33.19 2uzg s VAL 66 CO -0.07 0.52 0.32 -1.10 -3.33 0.00 0.00 175.10 171.44 2uzg s GLN 67 N -0.42 4.26 0.00 1.54 -1.52 -1.26 -2.80 119.66 119.46 2uzg s GLN 67 Ca 0.05 0.14 0.00 0.00 -1.95 0.00 0.00 55.36 53.61 2uzg s GLN 67 Cb -0.10 -3.42 0.00 0.00 -0.22 0.00 0.00 33.01 29.26 2uzg s GLN 67 CO 0.00 0.23 0.00 0.41 -0.25 0.00 0.00 175.29 175.69 2uzg n GLY 68 N 3.35 -3.12 0.00 3.09 0.00 0.11 -4.96 105.19 103.66 2uzg n GLY 68 Ca -0.11 -1.04 0.00 0.00 0.00 0.00 0.00 46.02 44.87 2uzg n GLY 68 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2uzg n PRO 69 N -1.26 1.05 -2.48 1.61 -0.02 -1.26 -5.05 135.00 127.60 2uzg n PRO 69 Ca 0.00 0.00 -0.02 0.00 -2.02 0.00 0.00 63.50 61.46 2uzg n PRO 69 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.48 2uzg n PRO 69 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 2uzg n ASN 70 N 0.00 -5.85 -4.04 2.55 3.02 -1.26 -5.07 115.26 104.61 2uzg n ASN 70 Ca 0.00 0.09 -0.17 0.00 -0.03 0.00 0.00 54.58 54.48 2uzg n ASN 70 Cb 0.00 -3.86 -0.13 0.00 -0.61 0.00 0.00 39.78 35.18 2uzg n ASN 70 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 2uzg s LEU 71 N -2.87 2.12 0.25 3.41 1.43 -1.26 -4.70 118.68 117.06 2uzg s LEU 71 Ca 0.06 -0.32 0.10 0.00 -1.03 0.00 0.00 54.13 52.94 2uzg s LEU 71 Cb -0.02 -0.36 -0.04 0.00 0.03 0.00 0.00 46.19 45.80 2uzg s LEU 71 CO 0.50 -0.01 -0.05 0.26 0.23 0.00 0.00 176.35 177.28 2uzg s TRP 72 N -0.66 2.63 -0.03 0.29 0.52 0.58 -1.24 118.94 121.04 2uzg s TRP 72 Ca -0.01 -0.24 -0.03 0.00 0.02 0.00 0.00 56.10 55.84 2uzg s TRP 72 Cb -0.06 -1.18 0.01 0.00 -1.15 0.00 0.00 33.47 31.09 2uzg s TRP 72 CO 0.00 0.62 0.09 0.00 0.02 0.00 0.00 176.95 177.67 2uzg s ALA 73 N -2.24 -0.21 0.19 0.98 0.00 -0.33 -0.98 121.76 119.18 2uzg s ALA 73 Ca 0.30 0.20 -0.33 0.00 0.00 0.00 0.00 51.96 52.13 2uzg s ALA 73 Cb -0.07 -0.12 -0.13 0.00 0.00 0.00 0.00 23.12 22.80 2uzg s ALA 73 CO 0.18 -0.05 1.58 0.00 0.00 0.00 0.00 175.76 177.47 2uzg h LEU 75 N 5.70 0.00 -8.92 0.00 5.85 -1.46 -3.45 115.31 113.04 2uzg h LEU 75 Ca -0.45 0.00 -0.65 0.00 0.84 0.00 0.00 57.88 57.63 2uzg h LEU 75 Cb 1.25 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.28 2uzg h LEU 75 CO 0.87 0.16 1.27 1.21 -0.34 0.00 0.00 178.44 181.62 2uzg n GLU 76 N -3.07 1.61 -0.20 1.25 0.00 -1.26 -4.45 120.64 114.51 2uzg n GLU 76 Ca 0.02 0.52 0.13 0.00 0.00 0.00 0.00 57.16 57.83 2uzg n GLU 76 Cb 0.60 -2.62 0.44 0.00 0.00 0.00 0.00 31.44 29.87 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 11.23 0.51 1.06 4.31 -1.24 -1.85 0.11 115.58 129.72 2uzg h ASN 77 Ca -0.39 0.03 -0.12 0.00 0.71 0.00 0.00 56.30 56.53 2uzg h ASN 77 Cb 1.29 -0.08 -0.02 0.00 0.73 0.00 0.00 38.32 40.25 2uzg h ASN 77 CO 0.98 0.27 -0.55 0.03 -1.29 0.00 0.00 177.43 176.87 2uzg h ARG 78 N 0.55 0.00 -6.11 6.67 3.08 -1.95 -3.45 114.38 113.17 2uzg h ARG 78 Ca 0.39 0.00 -0.59 0.00 0.07 0.00 0.00 59.98 59.85 2uzg h ARG 78 Cb 0.75 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.76 2uzg h ARG 78 CO -0.15 0.55 -0.36 0.00 -1.07 0.00 0.00 179.97 178.95 2uzg n SER 80 N 0.13 -0.12 -4.34 0.00 2.88 -1.26 -4.58 113.62 106.33 2uzg n SER 80 Ca -0.03 -2.84 -0.30 0.00 -1.33 0.00 0.00 58.87 54.37 2uzg n SER 80 Cb 0.52 -0.30 -0.14 0.00 -0.75 0.00 0.00 64.21 63.53 2uzg n SER 80 CO 0.00 0.00 0.00 -0.31 -1.23 0.00 0.00 175.04 173.50 2uzg s TYR 81 N -1.15 2.28 -0.22 0.66 4.12 -1.26 -5.03 117.35 116.75 2uzg s TYR 81 Ca 0.35 -0.41 -0.04 0.00 0.02 0.00 0.00 57.07 56.99 2uzg s TYR 81 Cb 0.21 -1.35 -0.01 0.00 -1.52 0.00 0.00 41.96 39.29 2uzg s TYR 81 CO -0.12 0.14 -0.03 0.08 0.02 0.00 0.00 175.55 175.65 2uzg s VAL 82 N -0.83 3.51 0.16 0.71 1.01 -1.26 -1.40 120.40 122.29 2uzg s VAL 82 Ca 0.12 -0.45 0.02 0.00 0.00 0.00 0.00 61.98 61.67 2uzg s VAL 82 Cb -0.10 -2.60 -0.05 0.00 0.00 0.00 0.00 36.38 33.64 2uzg s VAL 82 CO 0.02 0.41 -0.03 -0.83 0.00 0.00 0.00 175.10 174.68 2uzg s GLY 83 N 1.46 1.13 0.01 4.51 0.00 -0.15 -0.51 107.32 113.76 2uzg s GLY 83 Ca 0.05 -1.54 -0.00 0.00 0.00 0.00 0.00 44.72 43.23 2uzg s GLY 83 CO -0.02 -1.53 0.11 0.00 0.00 0.00 0.00 173.10 171.66 2uzg n GLY 85 N 0.98 -1.70 0.25 0.00 0.00 -1.26 0.55 105.19 104.01 2uzg n GLY 85 Ca -0.11 -1.50 0.17 0.00 0.00 0.00 0.00 46.02 44.57 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 -1.90 0.42 114.58 123.80 2uzg h GLU 86 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.41 2uzg h GLU 86 Cb 0.00 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.10 2uzg h GLU 86 CO 0.00 0.00 0.00 0.77 0.05 0.00 0.00 179.01 179.83 2uzg h SER 87 N 0.00 0.00 0.00 3.06 0.02 -1.96 -3.38 113.55 111.29 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 0.04 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.58 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 -2.92 0.00 -0.54 3.45 1.13 -0.65 -5.00 117.38 112.86 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 0.11 0.00 -0.00 0.00 0.11 0.00 0.00 30.24 30.46 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 -2.20 0.00 -3.35 5.09 0.31 -1.04 -5.00 118.33 112.14 2uzg n VAL 89 Ca 0.00 -0.03 -0.23 0.00 -0.01 0.00 0.00 64.34 64.07 2uzg n VAL 89 Cb 0.00 0.33 -0.01 0.00 -0.91 0.00 0.00 33.84 33.25 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 0.01 -3.65 -0.26 4.52 4.64 0.14 -4.81 116.55 117.15 2uzg n ASP 90 Ca -0.00 -0.38 0.10 0.00 -1.38 0.00 0.00 54.79 53.13 2uzg n ASP 90 Cb 0.64 -3.03 0.35 0.00 -1.04 0.00 0.00 41.12 38.04 2uzg n ASP 90 CO 0.00 0.00 0.00 0.45 -0.82 0.00 0.00 177.20 176.83 2uzg h HIS 91 N -0.93 0.84 -0.66 -0.67 3.86 -0.05 0.83 115.15 118.37 2uzg h HIS 91 Ca -0.42 0.02 0.02 0.00 -1.16 0.00 0.00 60.37 58.83 2uzg h HIS 91 Cb 1.28 -0.27 -0.03 0.00 1.06 0.00 0.00 27.41 29.45 2uzg h HIS 91 CO 0.67 0.35 0.43 1.03 0.86 0.00 0.00 177.93 181.28 2uzg h SER 92 N 0.75 0.72 -0.02 2.45 0.87 -1.62 0.13 113.55 116.83 2uzg h SER 92 Ca 0.42 -0.02 -0.01 0.00 -1.23 0.00 0.00 61.79 60.95 2uzg h SER 92 Cb 0.56 -0.18 0.00 0.00 -0.44 0.00 0.00 62.40 62.35 2uzg h SER 92 CO -0.18 0.51 -0.04 0.74 -0.53 0.00 0.00 176.83 177.33 2uzg h THR 93 N 0.85 1.43 -0.05 2.23 2.02 -1.14 -0.82 112.91 117.42 2uzg h THR 93 Ca 0.25 -1.34 0.02 0.00 0.77 0.00 0.00 66.41 66.10 2uzg h THR 93 Cb -0.04 2.28 -0.02 0.00 -1.74 0.00 0.00 68.15 68.64 2uzg h THR 93 CO -0.06 0.36 -0.05 0.40 0.37 0.00 0.00 175.52 176.54 2uzg h ILE 94 N -0.46 0.86 -0.78 3.11 2.04 -0.99 -1.38 117.51 119.91 2uzg h ILE 94 Ca 0.00 0.00 0.02 0.00 1.00 0.00 0.00 64.86 65.88 2uzg h ILE 94 Cb 0.60 0.86 -0.04 0.00 -0.74 0.00 0.00 36.82 37.50 2uzg h ILE 94 CO 0.01 0.00 0.52 -0.74 0.00 0.00 0.00 178.15 177.94 2uzg h HIS 95 N -0.06 0.96 -0.70 1.37 2.76 -0.81 -0.90 115.15 117.77 2uzg h HIS 95 Ca 0.04 0.02 0.03 0.00 -2.20 0.00 0.00 60.37 58.26 2uzg h HIS 95 Cb 0.12 -0.32 -0.04 0.00 1.55 0.00 0.00 27.41 28.71 2uzg h HIS 95 CO -0.15 0.58 0.44 1.03 -1.30 0.00 0.00 177.93 178.53 2uzg h SER 96 N 1.01 0.73 -0.04 3.26 0.87 -0.24 -1.86 113.55 117.28 2uzg h SER 96 Ca 0.30 -0.00 -0.02 0.00 -1.23 0.00 0.00 61.79 60.84 2uzg h SER 96 Cb -0.04 -0.16 -0.00 0.00 -0.44 0.00 0.00 62.40 61.76 2uzg h SER 96 CO -0.08 0.51 -0.06 1.56 -0.53 0.00 0.00 176.83 178.24 2uzg h GLN 97 N 0.87 0.11 -0.59 2.24 7.50 -0.51 0.90 115.11 125.63 2uzg h GLN 97 Ca 0.28 -0.06 0.12 0.00 0.50 0.00 0.00 58.65 59.49 2uzg h GLN 97 Cb 0.00 0.01 -0.10 0.00 0.05 0.00 0.00 27.48 27.43 2uzg h GLN 97 CO -0.10 0.61 -0.03 0.93 -1.50 0.00 0.00 178.83 178.74 2uzg h GLU 98 N -0.38 0.09 -0.48 1.46 5.08 -1.00 -1.72 114.58 117.63 2uzg h GLU 98 Ca 0.00 -0.01 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 0.06 0.00 0.25 -1.00 0.00 0.00 179.01 178.33 2uzg n THR 99 N -5.30 1.36 -1.71 1.13 -2.24 -0.72 -4.94 114.28 101.86 2uzg n THR 99 Ca 0.08 -1.17 -0.18 0.00 -2.27 0.00 0.00 64.05 60.52 2uzg n THR 99 Cb 0.33 0.32 -0.06 0.00 -2.10 0.00 0.00 70.33 68.82 2uzg n THR 99 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 2uzg n LYS 100 N 0.73 -1.49 -2.81 -0.78 4.76 0.22 -4.89 118.16 113.89 2uzg n LYS 100 Ca 0.19 1.02 -0.43 0.00 -2.87 0.00 0.00 58.31 56.21 2uzg n LYS 100 Cb 0.63 -5.41 -0.03 0.00 -1.84 0.00 0.00 35.03 28.37 2uzg n LYS 100 CO 0.00 0.00 0.00 -1.01 -1.37 0.00 0.00 177.40 175.02 2uzg s HIS 101 N -2.60 2.73 -0.57 2.13 3.76 0.25 -4.86 115.29 116.13 2uzg s HIS 101 Ca 0.00 -0.74 0.07 0.00 -0.15 0.00 0.00 55.06 54.23 2uzg s HIS 101 Cb 0.00 -4.37 0.41 0.00 1.11 0.00 0.00 32.58 29.73 2uzg s HIS 101 CO 0.00 -1.69 1.17 0.66 -0.85 0.00 0.00 174.74 174.03 2uzg n TYR 102 N 7.73 1.12 -4.03 1.40 4.02 -1.26 -4.03 117.16 122.10 2uzg n TYR 102 Ca 0.08 -0.46 -0.31 0.00 -0.01 0.00 0.00 57.90 57.21 2uzg n TYR 102 Cb 0.47 -0.34 -0.16 0.00 -0.02 0.00 0.00 39.34 39.29 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 -1.43 2.17 -0.00 7.72 2.01 -1.26 -1.21 118.68 126.67 2uzg s LEU 103 Ca 0.28 -0.76 0.01 0.00 0.01 0.00 0.00 54.13 53.66 2uzg s LEU 103 Cb 0.22 -1.29 -0.00 0.00 0.01 0.00 0.00 46.19 45.13 2uzg s LEU 103 CO 0.08 -0.10 -0.03 0.28 1.01 0.00 0.00 176.35 177.60 2uzg s THR 104 N 1.38 0.21 -0.13 5.49 -1.32 -0.81 -1.11 115.64 119.35 2uzg s THR 104 Ca 0.01 -0.11 0.03 0.00 -1.21 0.00 0.00 61.69 60.41 2uzg s THR 104 Cb -0.15 -0.19 0.01 0.00 -1.51 0.00 0.00 72.50 70.66 2uzg s THR 104 CO -0.10 0.07 -0.22 0.54 -2.21 0.00 0.00 174.62 172.70 2uzg s VAL 105 N -0.01 2.04 -0.22 5.08 0.11 -0.39 0.34 120.40 127.35 2uzg s VAL 105 Ca 0.00 -0.98 -0.26 0.00 -2.93 0.00 0.00 61.98 57.81 2uzg s VAL 105 Cb -0.02 -1.79 -0.00 0.00 -1.53 0.00 0.00 36.38 33.04 2uzg s VAL 105 CO -0.00 0.55 0.90 0.54 -3.33 0.00 0.00 175.10 173.76 2uzg s ASN 106 N 0.70 6.96 0.00 3.54 2.20 0.01 -1.18 114.94 127.17 2uzg s ASN 106 Ca -0.10 1.19 0.18 0.00 -0.94 0.00 0.00 52.86 53.19 2uzg s ASN 106 Cb -0.16 -2.48 0.76 0.00 -2.00 0.00 0.00 41.25 37.37 2uzg s ASN 106 CO 0.01 -0.54 1.57 0.18 -2.94 0.00 0.00 177.10 175.38 2uzg n LEU 107 N 5.90 0.01 0.09 3.54 4.32 -0.37 0.35 117.00 130.83 2uzg n LEU 107 Ca 0.07 0.50 -0.15 0.00 -0.02 0.00 0.00 56.01 56.41 2uzg n LEU 107 Cb 0.47 -0.50 -0.09 0.00 -1.62 0.00 0.00 43.42 41.69 2uzg n LEU 107 CO 0.49 -0.20 0.07 0.74 -1.22 0.00 0.00 177.39 177.27 2uzg h THR 108 N 0.00 1.43 -0.00 -5.08 2.02 -1.92 -3.35 112.91 106.01 2uzg h THR 108 Ca 0.00 -2.68 0.00 0.00 0.77 0.00 0.00 66.41 64.50 2uzg h THR 108 Cb 0.31 2.65 0.00 0.00 -1.74 0.00 0.00 68.15 69.37 2uzg h THR 108 CO 0.00 0.79 -0.02 0.41 0.37 0.00 0.00 175.52 177.08 2uzg n THR 109 N -3.67 0.00 -3.07 3.16 -1.04 -1.14 -5.01 114.28 103.51 2uzg n THR 109 Ca -0.08 -0.49 -0.22 0.00 -2.04 0.00 0.00 64.05 61.21 2uzg n THR 109 Cb 0.92 1.01 0.04 0.00 -1.82 0.00 0.00 70.33 70.49 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 -0.36 -2.77 -4.61 -4.42 4.77 0.15 -5.00 117.00 104.77 2uzg n LEU 110 Ca 0.00 -0.31 -0.24 0.00 -0.03 0.00 0.00 56.01 55.44 2uzg n LEU 110 Cb 0.02 -2.96 -0.08 0.00 -2.33 0.00 0.00 43.42 38.08 2uzg n LEU 110 CO 0.01 0.28 -0.36 -0.13 -1.33 0.00 0.00 177.39 175.86 2uzg s ARG 111 N -5.75 2.19 0.10 3.23 1.81 -1.13 -4.94 118.95 114.47 2uzg s ARG 111 Ca 0.33 -1.44 0.06 0.00 -1.72 0.00 0.00 55.73 52.96 2uzg s ARG 111 Cb -0.15 -2.11 -0.04 0.00 -0.45 0.00 0.00 34.95 32.20 2uzg s ARG 111 CO 0.41 0.37 -0.07 0.08 -0.68 0.00 0.00 175.30 175.41 2uzg s VAL 112 N -2.28 3.56 -0.01 3.52 1.01 -1.14 -0.81 120.40 124.25 2uzg s VAL 112 Ca 0.30 -1.20 0.04 0.00 0.00 0.00 0.00 61.98 61.12 2uzg s VAL 112 Cb -0.07 -2.68 -0.01 0.00 0.00 0.00 0.00 36.38 33.63 2uzg s VAL 112 CO 0.19 0.11 -0.12 0.86 0.00 0.00 0.00 175.10 176.14 2uzg s TRP 113 N -1.26 1.07 -0.29 5.22 -0.11 0.15 -0.94 118.94 122.78 2uzg s TRP 113 Ca 0.23 -0.21 -0.01 0.00 1.22 0.00 0.00 56.10 57.33 2uzg s TRP 113 Cb -0.11 -0.70 0.05 0.00 -1.50 0.00 0.00 33.47 31.21 2uzg s TRP 113 CO 0.15 -0.03 -0.03 0.00 -4.62 0.00 0.00 176.95 172.42 2uzg h TYR 115 N 7.95 0.91 0.24 0.00 0.05 -1.42 0.77 116.97 125.48 2uzg h TYR 115 Ca -0.21 -0.25 -0.01 0.00 0.05 0.00 0.00 58.73 58.30 2uzg h TYR 115 Cb 1.06 -0.20 -0.00 0.00 1.01 0.00 0.00 36.73 38.60 2uzg h TYR 115 CO 0.62 1.01 -0.13 0.00 -1.05 0.00 0.00 178.16 178.61 2uzg h ALA 116 N 0.76 -0.34 -0.01 3.88 0.00 -1.95 -2.56 119.26 119.05 2uzg h ALA 116 Ca 0.07 -0.07 -0.10 0.00 0.00 0.00 0.00 54.91 54.81 2uzg h ALA 116 Cb 0.82 0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.74 2uzg h ALA 116 CO 0.07 -0.69 -0.46 0.00 0.00 0.00 0.00 179.25 178.17 2uzg n SER 118 N -3.99 -2.14 -3.66 0.00 3.41 0.18 -5.06 113.62 102.36 2uzg n SER 118 Ca -0.02 -0.08 -0.01 0.00 -0.26 0.00 0.00 58.87 58.50 2uzg n SER 118 Cb 0.48 -1.13 -0.01 0.00 -0.26 0.00 0.00 64.21 63.30 2uzg n SER 118 CO 0.00 0.00 0.00 -1.59 -0.16 0.00 0.00 175.04 173.29 2uzg s LYS 119 N -4.42 0.81 0.20 4.33 0.00 -0.70 -5.04 119.74 114.94 2uzg s LYS 119 Ca 0.02 -0.46 -0.21 0.00 0.00 0.00 0.00 55.97 55.32 2uzg s LYS 119 Cb -0.01 0.27 -0.08 0.00 0.00 0.00 0.00 37.83 38.01 2uzg s LYS 119 CO 0.10 -0.37 0.73 -1.83 0.00 0.00 0.00 175.35 173.97 2uzg s GLU 120 N -2.73 4.31 0.26 1.78 -1.05 -1.26 -0.44 118.70 119.56 2uzg s GLU 120 Ca 0.15 0.92 0.06 0.00 -0.15 0.00 0.00 54.97 55.94 2uzg s GLU 120 Cb 0.01 -2.97 -0.06 0.00 -0.44 0.00 0.00 34.13 30.68 2uzg s GLU 120 CO -0.00 0.44 -0.05 0.14 0.95 0.00 0.00 175.26 176.73 2uzg s VAL 121 N -1.43 1.50 -0.11 1.83 -7.23 -0.12 -4.86 120.40 109.98 2uzg s VAL 121 Ca 0.41 -2.11 0.02 0.00 -1.81 0.00 0.00 61.98 58.49 2uzg s VAL 121 Cb -0.18 -2.38 -0.01 0.00 0.56 0.00 0.00 36.38 34.37 2uzg s VAL 121 CO 0.22 -0.34 -0.17 0.72 -0.31 0.00 0.00 175.10 175.21 2uzg s PHE 122 N -3.11 2.71 0.57 2.82 -0.12 -1.26 -2.89 117.98 116.70 2uzg s PHE 122 Ca 0.28 -0.74 -0.18 0.00 -0.05 0.00 0.00 56.93 56.25 2uzg s PHE 122 Cb 0.04 -1.77 -0.04 0.00 -0.63 0.00 0.00 43.02 40.61 2uzg s PHE 122 CO 0.10 -0.25 1.09 -0.51 -0.05 0.00 0.00 175.22 175.61 2uzg s LEU 123 N 0.24 3.62 -0.36 -1.99 1.43 -1.26 -5.00 118.68 115.36 2uzg s LEU 123 Ca -0.12 2.00 -0.20 0.00 -1.03 0.00 0.00 54.13 54.79 2uzg s LEU 123 Cb -0.16 -4.56 0.00 0.00 0.03 0.00 0.00 46.19 41.51 2uzg s LEU 123 CO 0.06 -1.23 0.63 1.51 0.23 0.00 0.00 176.35 177.56 2uzg s ASP 124 N -2.24 6.41 -0.18 2.29 3.84 -1.26 -4.91 116.67 120.62 2uzg s ASP 124 Ca 0.68 0.09 -0.05 0.00 -0.00 0.00 0.00 52.55 53.26 2uzg s ASP 124 Cb -0.20 -2.32 -0.22 0.00 -1.38 0.00 0.00 42.92 38.80 2uzg s ASP 124 CO 0.31 -0.61 0.14 0.54 -0.00 0.00 0.00 175.17 175.55 2uzg n ARG 125 N 6.06 0.71 0.00 2.11 1.74 -1.26 -4.94 116.66 121.07 2uzg n ARG 125 Ca -0.01 0.25 0.00 0.00 -0.77 0.00 0.00 57.85 57.31 2uzg n ARG 125 Cb 0.48 -1.64 0.00 0.00 -1.02 0.00 0.00 32.46 30.28 2uzg n ARG 125 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 2uzg n LYS 126 N -3.51 0.00 0.00 5.56 5.02 -1.26 -5.05 118.16 118.92 2uzg n LYS 126 Ca -0.37 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 55.92 2uzg n LYS 126 Cb 1.00 -0.03 0.00 0.00 -0.02 0.00 0.00 35.03 35.98 2uzg n LYS 126 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 2uzg n LEU 127 N -2.02 0.00 0.00 -0.35 4.32 -1.26 -3.71 117.00 113.98 2uzg n LEU 127 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 55.99 2uzg n LEU 127 Cb 0.00 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 41.80 2uzg n LEU 127 CO 0.00 0.00 0.00 0.61 -1.22 0.00 0.00 177.39 176.78 2uzg n GLY 128 N 0.00 0.15 1.17 -0.72 0.00 -1.26 -5.08 105.19 99.45 2uzg n GLY 128 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 -1.83 0.00 0.45 2.61 -2.24 -1.24 -5.25 114.28 106.78 2uzg n THR 129 Ca 0.00 0.00 0.05 0.00 -2.27 0.00 0.00 64.05 61.83 2uzg n THR 129 Cb 0.00 -0.05 0.05 0.00 -2.10 0.00 0.00 70.33 68.23 2uzg n THR 129 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50