#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2uzg s ASN 37 N 0.00 5.90 0.38 0.55 -0.87 -1.26 -5.12 114.94 114.52 2uzg s ASN 37 Ca 0.00 0.17 0.00 0.00 -1.57 0.00 0.00 52.86 51.46 2uzg s ASN 37 Cb 0.00 -1.72 0.00 0.00 -0.02 0.00 0.00 41.25 39.51 2uzg s ASN 37 CO 0.00 0.22 0.00 1.57 -2.57 0.00 0.00 177.10 176.32 2uzg n HIS 38 N 0.78 -3.03 -4.14 2.20 -0.00 -1.26 -5.09 115.22 104.67 2uzg n HIS 38 Ca -0.10 0.00 -0.35 0.00 0.46 0.00 0.00 57.72 57.73 2uzg n HIS 38 Cb 0.52 0.00 -0.09 0.00 -0.12 0.00 0.00 29.99 30.30 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 5.95 0.51 -0.47 0.00 0.13 -1.98 -1.16 132.00 134.98 2uzg h PRO 40 Ca -0.43 -0.22 0.08 0.00 -0.87 0.00 0.00 66.00 64.56 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 0.63 0.77 -0.37 0.45 -0.23 0.00 0.00 178.00 179.25 2uzg h HIS 41 N 0.24 -1.04 -0.02 1.56 3.86 -1.98 -0.88 115.15 116.88 2uzg h HIS 41 Ca 0.06 0.07 -0.20 0.00 -1.16 0.00 0.00 60.37 59.13 2uzg h HIS 41 Cb 0.61 0.53 -0.01 0.00 1.06 0.00 0.00 27.41 29.60 2uzg h HIS 41 CO 0.06 -0.40 -0.85 1.37 0.86 0.00 0.00 177.93 178.96 2uzg h LEU 42 N -0.25 0.38 -2.47 2.43 8.10 -1.92 -3.12 115.31 118.46 2uzg h LEU 42 Ca 0.18 -0.29 0.02 0.00 0.11 0.00 0.00 57.88 57.89 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 -0.60 1.07 0.15 0.44 -4.11 0.00 0.00 178.44 175.39 2uzg h ASP 43 N 0.18 0.00 0.13 0.17 3.45 -0.06 -2.09 116.42 118.19 2uzg h ASP 43 Ca -0.05 0.00 -0.28 0.00 0.43 0.00 0.00 57.03 57.13 2uzg h ASP 43 Cb 1.47 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 40.24 2uzg h ASP 43 CO 0.14 0.00 -1.44 0.28 -1.57 0.00 0.00 179.24 176.65 2uzg h SER 44 N 0.00 0.42 -4.21 6.45 0.02 -1.14 -3.47 113.55 111.62 2uzg h SER 44 Ca 0.03 -0.87 -0.50 0.00 -0.84 0.00 0.00 61.79 59.60 2uzg h SER 44 Cb 0.33 -0.14 0.14 0.00 0.14 0.00 0.00 62.40 62.87 2uzg h SER 44 CO -0.00 1.63 0.29 0.68 -1.14 0.00 0.00 176.83 178.29 2uzg s VAL 45 N -2.49 3.04 0.00 2.27 -7.23 -0.79 -4.95 120.40 110.26 2uzg s VAL 45 Ca -0.19 0.34 0.00 0.00 -1.81 0.00 0.00 61.98 60.32 2uzg s VAL 45 Cb 0.04 -2.84 0.00 0.00 0.56 0.00 0.00 36.38 34.14 2uzg s VAL 45 CO 0.78 -0.44 0.00 0.61 -0.31 0.00 0.00 175.10 175.74 2uzg n GLY 46 N -1.23 0.65 3.16 2.32 0.00 -1.26 -4.87 105.19 103.97 2uzg n GLY 46 Ca 0.08 -0.12 -0.10 0.00 0.00 0.00 0.00 46.02 45.89 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 3.49 0.95 -0.06 1.61 2.12 -1.26 -4.75 118.70 120.80 2uzg s GLU 47 Ca 0.00 -1.43 -0.01 0.00 0.36 0.00 0.00 54.97 53.89 2uzg s GLU 47 Cb 0.00 0.25 -0.03 0.00 0.26 0.00 0.00 34.13 34.61 2uzg s GLU 47 CO 0.00 -0.28 0.00 -1.50 -0.54 0.00 0.00 175.26 172.94 2uzg s ILE 48 N -4.05 4.26 0.66 -3.70 2.07 -1.26 -4.75 121.20 114.44 2uzg s ILE 48 Ca 0.24 -0.34 -0.11 0.00 -1.41 0.00 0.00 60.65 59.03 2uzg s ILE 48 Cb 0.07 -2.82 -0.01 0.00 0.13 0.00 0.00 42.46 39.83 2uzg s ILE 48 CO 0.02 0.55 1.05 0.42 -1.91 0.00 0.00 174.94 175.06 2uzg s THR 49 N -0.94 4.32 0.16 4.00 -4.23 -1.26 -4.91 115.64 112.79 2uzg s THR 49 Ca 0.15 0.76 -0.16 0.00 -1.18 0.00 0.00 61.69 61.26 2uzg s THR 49 Cb -0.11 -3.60 0.03 0.00 1.34 0.00 0.00 72.50 70.15 2uzg s THR 49 CO 0.04 -0.99 1.82 0.50 -0.54 0.00 0.00 174.62 175.46 2uzg h LYS 50 N -0.54 0.58 -0.83 3.99 3.64 -1.99 -1.61 116.57 119.81 2uzg h LYS 50 Ca -0.44 -0.03 0.04 0.00 -1.27 0.00 0.00 60.65 58.94 2uzg h LYS 50 Cb 1.20 -0.13 -0.05 0.00 -0.41 0.00 0.00 32.23 32.84 2uzg h LYS 50 CO 0.59 0.38 0.55 1.49 -2.27 0.00 0.00 179.45 180.19 2uzg h GLU 51 N 0.60 0.98 -0.53 1.90 4.81 -1.99 0.26 114.58 120.61 2uzg h GLU 51 Ca 0.16 -0.06 -0.10 0.00 -0.13 0.00 0.00 59.36 59.24 2uzg h GLU 51 Cb -0.07 -0.22 -0.02 0.00 0.63 0.00 0.00 28.75 29.07 2uzg h GLU 51 CO -0.03 0.65 -0.05 -0.44 -0.73 0.00 0.00 179.01 178.41 2uzg h ASP 52 N 1.01 0.95 0.44 1.04 3.45 -1.79 -2.87 116.42 118.65 2uzg h ASP 52 Ca 0.33 -0.33 -0.14 0.00 0.43 0.00 0.00 57.03 57.33 2uzg h ASP 52 Cb 0.06 -0.26 -0.01 0.00 -0.56 0.00 0.00 39.33 38.56 2uzg h ASP 52 CO -0.10 1.05 -0.60 -0.07 -1.57 0.00 0.00 179.24 177.96 2uzg h LEU 53 N 0.83 0.17 -0.50 1.55 3.38 -0.44 -3.08 115.31 117.23 2uzg h LEU 53 Ca 0.14 -0.10 0.07 0.00 0.09 0.00 0.00 57.88 58.09 2uzg h LEU 53 Cb 0.59 -0.05 -0.06 0.00 0.09 0.00 0.00 40.66 41.23 2uzg h LEU 53 CO 0.04 0.73 0.15 0.40 0.09 0.00 0.00 178.44 179.85 2uzg h ILE 54 N 0.11 0.79 -0.57 1.22 1.08 -0.30 1.15 117.51 120.99 2uzg h ILE 54 Ca -0.01 -0.11 -0.10 0.00 -0.39 0.00 0.00 64.86 64.26 2uzg h ILE 54 Cb 1.08 0.45 -0.02 0.00 -3.07 0.00 0.00 36.82 35.26 2uzg h ILE 54 CO 0.09 0.06 -0.03 1.56 -0.69 0.00 0.00 178.15 179.14 2uzg h GLN 55 N 0.31 1.03 -0.10 2.37 1.08 -1.52 -2.51 115.11 115.77 2uzg h GLN 55 Ca 0.24 -0.34 -0.11 0.00 -1.45 0.00 0.00 58.65 56.99 2uzg h GLN 55 Cb 0.28 -0.09 -0.01 0.00 -0.05 0.00 0.00 27.48 27.61 2uzg h GLN 55 CO -0.27 1.03 -0.41 0.87 -0.95 0.00 0.00 178.83 179.10 2uzg h LYS 56 N 0.92 0.23 0.00 1.46 1.57 -1.24 -2.35 116.57 117.16 2uzg h LYS 56 Ca 0.16 -0.11 0.00 0.00 -1.87 0.00 0.00 60.65 58.83 2uzg h LYS 56 Cb 0.59 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.89 2uzg h LYS 56 CO 0.03 0.61 0.00 -1.13 -0.57 0.00 0.00 179.45 178.39 2uzg n SER 57 N -4.03 0.35 0.30 0.86 3.41 0.39 -2.91 113.62 111.99 2uzg n SER 57 Ca -0.02 0.58 0.20 0.00 -0.26 0.00 0.00 58.87 59.37 2uzg n SER 57 Cb 0.48 -0.65 1.03 0.00 -0.26 0.00 0.00 64.21 64.81 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 -0.66 1.04 3.38 -1.01 -3.46 115.31 114.61 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 0.36 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.11 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 -0.91 0.68 3.01 0.83 0.00 -1.15 -4.92 105.19 102.73 2uzg n GLY 59 Ca -0.02 -0.23 -0.13 0.00 0.00 0.00 0.00 46.02 45.64 2uzg n GLY 59 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2uzg s THR 60 N -2.05 -0.01 0.17 2.61 -4.23 -1.26 -1.22 115.64 109.65 2uzg s THR 60 Ca 0.00 0.04 -0.18 0.00 -1.18 0.00 0.00 61.69 60.36 2uzg s THR 60 Cb 0.00 -0.23 -0.08 0.00 1.34 0.00 0.00 72.50 73.53 2uzg s THR 60 CO 0.00 0.02 0.65 0.00 -0.54 0.00 0.00 174.62 174.75 2uzg h GLN 62 N 3.68 0.51 0.21 0.00 4.15 -1.25 -3.36 115.11 119.05 2uzg h GLN 62 Ca -0.48 -0.63 -0.01 0.00 0.77 0.00 0.00 58.65 58.29 2uzg h GLN 62 Cb 1.20 0.20 0.00 0.00 0.21 0.00 0.00 27.48 29.09 2uzg h GLN 62 CO 0.65 1.25 -0.10 -0.44 -1.93 0.00 0.00 178.83 178.27 2uzg h ASP 63 N 0.06 -0.23 -4.31 -0.69 5.19 -1.94 -3.47 116.42 111.03 2uzg h ASP 63 Ca -0.13 -0.23 -0.43 0.00 -0.62 0.00 0.00 57.03 55.62 2uzg h ASP 63 Cb 1.62 0.06 -0.09 0.00 0.18 0.00 0.00 39.33 41.11 2uzg h ASP 63 CO 0.18 0.12 -0.34 0.00 -3.12 0.00 0.00 179.24 176.08 2uzg n LYS 65 N -0.75 2.34 0.06 0.00 5.02 -1.26 -3.75 118.16 119.82 2uzg n LYS 65 Ca -0.08 -3.14 0.11 0.00 -2.02 0.00 0.00 58.31 53.18 2uzg n LYS 65 Cb 0.45 -2.16 0.57 0.00 -0.02 0.00 0.00 35.03 33.88 2uzg n LYS 65 CO 0.00 0.00 0.00 -0.24 -0.52 0.00 0.00 177.40 176.64 2uzg h VAL 66 N 1.04 0.93 -3.29 -0.18 3.04 -1.97 -3.47 116.25 112.36 2uzg h VAL 66 Ca 0.57 -0.07 0.30 0.00 -1.01 0.00 0.00 66.70 66.48 2uzg h VAL 66 Cb 2.18 0.70 -0.16 0.00 -2.01 0.00 0.00 31.29 32.00 2uzg h VAL 66 CO 1.11 0.04 -1.17 0.00 -1.01 0.00 0.00 177.57 176.54 2uzg n GLN 67 N -4.47 -3.18 -0.10 4.17 1.13 -1.26 -4.96 117.38 108.71 2uzg n GLN 67 Ca 0.04 2.60 0.00 0.00 -1.94 0.00 0.00 57.00 57.70 2uzg n GLN 67 Cb 0.28 -3.65 0.00 0.00 0.11 0.00 0.00 30.24 26.98 2uzg n GLN 67 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2uzg n GLY 68 N -4.04 -0.48 0.00 1.08 0.00 -0.36 -4.83 105.19 96.56 2uzg n GLY 68 Ca -0.08 -1.73 0.00 0.00 0.00 0.00 0.00 46.02 44.21 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 -0.58 0.68 -3.18 1.61 -0.02 -1.26 -5.01 135.00 127.24 2uzg n PRO 69 Ca 0.00 0.00 -0.14 0.00 -2.02 0.00 0.00 63.50 61.34 2uzg n PRO 69 Cb 0.00 0.00 0.07 0.00 -0.02 0.00 0.00 33.50 33.55 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 -0.52 -6.44 -4.68 2.55 3.02 -1.26 -5.02 115.26 102.91 2uzg n ASN 70 Ca 0.00 -0.68 -0.29 0.00 -0.03 0.00 0.00 54.58 53.58 2uzg n ASN 70 Cb 0.00 -5.03 -0.08 0.00 -0.61 0.00 0.00 39.78 34.06 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 -5.30 3.41 0.05 3.41 1.43 -1.26 -4.40 118.68 116.02 2uzg s LEU 71 Ca 0.44 -0.24 0.07 0.00 -1.03 0.00 0.00 54.13 53.36 2uzg s LEU 71 Cb -0.06 -2.13 -0.03 0.00 0.03 0.00 0.00 46.19 44.01 2uzg s LEU 71 CO 0.71 0.15 -0.19 0.26 0.23 0.00 0.00 176.35 177.51 2uzg s TRP 72 N -1.42 1.65 -0.00 0.29 0.52 0.18 -1.01 118.94 119.16 2uzg s TRP 72 Ca 0.26 -0.38 0.05 0.00 0.02 0.00 0.00 56.10 56.05 2uzg s TRP 72 Cb -0.11 -0.97 -0.01 0.00 -1.15 0.00 0.00 33.47 31.23 2uzg s TRP 72 CO 0.18 0.09 -0.15 0.00 0.02 0.00 0.00 176.95 177.10 2uzg s ALA 73 N -0.87 1.21 0.24 0.98 0.00 -0.65 -0.16 121.76 122.51 2uzg s ALA 73 Ca 0.06 -0.66 -0.31 0.00 0.00 0.00 0.00 51.96 51.04 2uzg s ALA 73 Cb -0.09 -0.29 -0.12 0.00 0.00 0.00 0.00 23.12 22.62 2uzg s ALA 73 CO 0.02 0.29 1.59 0.00 0.00 0.00 0.00 175.76 177.65 2uzg n LEU 75 N 2.79 0.46 -4.64 0.00 7.94 -0.74 -4.69 117.00 118.12 2uzg n LEU 75 Ca 0.12 0.05 -0.42 0.00 -1.11 0.00 0.00 56.01 54.66 2uzg n LEU 75 Cb 0.34 -0.27 0.01 0.00 0.53 0.00 0.00 43.42 44.03 2uzg n LEU 75 CO 0.64 0.11 0.70 1.21 -1.11 0.00 0.00 177.39 178.93 2uzg n GLU 76 N -1.52 1.57 -0.09 1.96 0.00 -1.26 -4.06 120.64 117.24 2uzg n GLU 76 Ca 0.06 0.56 -0.13 0.00 0.00 0.00 0.00 57.16 57.65 2uzg n GLU 76 Cb 0.34 -2.14 -0.04 0.00 0.00 0.00 0.00 31.44 29.59 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 1.81 0.68 1.67 4.31 -1.24 -1.85 -3.13 115.58 117.83 2uzg h ASN 77 Ca -0.45 -0.45 -0.05 0.00 0.71 0.00 0.00 56.30 56.06 2uzg h ASN 77 Cb 1.32 -0.19 -0.01 0.00 0.73 0.00 0.00 38.32 40.17 2uzg h ASN 77 CO 0.58 0.98 -0.33 -0.09 -1.29 0.00 0.00 177.43 177.28 2uzg h ARG 78 N 0.38 0.00 -5.97 6.67 2.43 -1.95 -3.46 114.38 112.48 2uzg h ARG 78 Ca 0.05 0.00 -0.62 0.00 -0.81 0.00 0.00 59.98 58.60 2uzg h ARG 78 Cb 0.77 0.00 -0.05 0.00 -0.42 0.00 0.00 29.97 30.27 2uzg h ARG 78 CO 0.06 0.24 -0.52 0.00 -1.51 0.00 0.00 179.97 178.24 2uzg n SER 80 N 0.32 -0.15 -4.85 0.00 7.64 -1.26 -4.28 113.62 111.04 2uzg n SER 80 Ca -0.06 -2.30 -0.33 0.00 1.01 0.00 0.00 58.87 57.19 2uzg n SER 80 Cb 0.51 0.20 -0.06 0.00 -1.01 0.00 0.00 64.21 63.85 2uzg n SER 80 CO 0.00 0.00 0.00 -0.31 -3.01 0.00 0.00 175.04 171.72 2uzg s TYR 81 N -1.59 3.45 -0.22 1.43 1.51 -1.26 -4.89 117.35 115.79 2uzg s TYR 81 Ca 0.20 1.16 -0.05 0.00 -1.01 0.00 0.00 57.07 57.37 2uzg s TYR 81 Cb 0.40 -2.47 -0.02 0.00 -0.11 0.00 0.00 41.96 39.76 2uzg s TYR 81 CO -0.06 0.21 0.00 0.08 -1.11 0.00 0.00 175.55 174.67 2uzg s VAL 82 N -1.82 3.87 0.18 0.71 1.01 -1.26 -0.88 120.40 122.21 2uzg s VAL 82 Ca 0.49 -0.33 0.02 0.00 0.00 0.00 0.00 61.98 62.16 2uzg s VAL 82 Cb -0.12 -2.77 -0.05 0.00 0.00 0.00 0.00 36.38 33.45 2uzg s VAL 82 CO 0.19 0.41 -0.01 -0.83 0.00 0.00 0.00 175.10 174.85 2uzg s GLY 83 N 1.27 1.25 -0.11 4.51 0.00 0.77 -0.65 107.32 114.37 2uzg s GLY 83 Ca 0.04 -1.61 -0.05 0.00 0.00 0.00 0.00 44.72 43.10 2uzg s GLY 83 CO 0.01 -1.56 0.07 0.00 0.00 0.00 0.00 173.10 171.62 2uzg n GLY 85 N 2.18 -3.29 0.34 0.00 0.00 -1.26 0.65 105.19 103.81 2uzg n GLY 85 Ca -0.19 -1.36 0.22 0.00 0.00 0.00 0.00 46.02 44.69 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 0.42 114.58 123.81 2uzg h GLU 86 Ca -0.23 0.00 -0.00 0.00 0.05 0.00 0.00 59.36 59.17 2uzg h GLU 86 Cb 0.76 0.00 -0.00 0.00 -1.65 0.00 0.00 28.75 27.86 2uzg h GLU 86 CO 0.15 0.00 -0.00 0.77 0.05 0.00 0.00 179.01 179.97 2uzg h SER 87 N 0.00 0.00 0.00 3.06 0.02 -1.95 -3.37 113.55 111.31 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 0.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.54 2uzg h SER 87 CO -0.00 0.00 -0.02 0.00 -1.14 0.00 0.00 176.83 175.68 2uzg n GLN 88 N -3.11 0.01 -0.31 3.45 1.13 -0.45 -4.98 117.38 113.12 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 -0.15 0.00 0.00 0.11 0.00 0.00 30.24 30.32 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 -2.72 0.00 -2.25 5.09 0.31 -0.90 -5.00 118.33 112.86 2uzg n VAL 89 Ca -0.00 0.00 -0.09 0.00 -0.01 0.00 0.00 64.34 64.24 2uzg n VAL 89 Cb 0.01 0.50 -0.01 0.00 -0.91 0.00 0.00 33.84 33.43 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 -2.89 -0.30 4.52 4.64 0.14 -4.78 116.55 117.88 2uzg n ASP 90 Ca 0.00 0.28 0.11 0.00 -1.38 0.00 0.00 54.79 53.80 2uzg n ASP 90 Cb 0.59 -2.55 0.35 0.00 -1.04 0.00 0.00 41.12 38.46 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 0.00 0.91 -0.81 -0.67 3.86 0.06 0.89 115.15 119.40 2uzg h HIS 91 Ca -0.20 0.03 0.04 0.00 -1.16 0.00 0.00 60.37 59.07 2uzg h HIS 91 Cb 1.05 -0.29 -0.05 0.00 1.06 0.00 0.00 27.41 29.19 2uzg h HIS 91 CO 0.67 0.32 0.53 1.03 0.86 0.00 0.00 177.93 181.35 2uzg h SER 92 N 0.76 0.85 -0.02 2.45 0.87 -1.62 0.13 113.55 116.96 2uzg h SER 92 Ca 0.47 -0.01 -0.01 0.00 -1.23 0.00 0.00 61.79 61.01 2uzg h SER 92 Cb 0.70 -0.20 -0.00 0.00 -0.44 0.00 0.00 62.40 62.47 2uzg h SER 92 CO -0.24 0.58 -0.04 0.74 -0.53 0.00 0.00 176.83 177.35 2uzg h THR 93 N 0.99 1.43 -0.00 2.23 2.02 -1.13 -0.82 112.91 117.62 2uzg h THR 93 Ca 0.32 -1.32 0.02 0.00 0.77 0.00 0.00 66.41 66.20 2uzg h THR 93 Cb 0.05 2.27 -0.02 0.00 -1.74 0.00 0.00 68.15 68.71 2uzg h THR 93 CO -0.10 0.35 -0.10 0.40 0.37 0.00 0.00 175.52 176.44 2uzg h ILE 94 N -0.47 0.74 -0.82 3.11 2.04 -1.00 -1.35 117.51 119.76 2uzg h ILE 94 Ca 0.00 0.00 0.03 0.00 1.00 0.00 0.00 64.86 65.89 2uzg h ILE 94 Cb 0.59 0.74 -0.05 0.00 -0.74 0.00 0.00 36.82 37.37 2uzg h ILE 94 CO 0.01 0.00 0.54 -0.74 0.00 0.00 0.00 178.15 177.96 2uzg h HIS 95 N -0.17 0.98 -0.72 1.37 2.76 -0.82 -0.95 115.15 117.61 2uzg h HIS 95 Ca 0.04 0.02 0.04 0.00 -2.20 0.00 0.00 60.37 58.28 2uzg h HIS 95 Cb 0.22 -0.33 -0.05 0.00 1.55 0.00 0.00 27.41 28.80 2uzg h HIS 95 CO -0.17 0.58 0.43 1.03 -1.30 0.00 0.00 177.93 178.50 2uzg h SER 96 N 1.02 0.69 -0.04 3.26 0.87 -0.20 -1.93 113.55 117.22 2uzg h SER 96 Ca 0.33 0.01 -0.02 0.00 -1.23 0.00 0.00 61.79 60.87 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 -0.09 0.47 -0.06 1.56 -0.53 0.00 0.00 176.83 178.17 2uzg h GLN 97 N 0.83 0.11 -0.62 2.24 7.50 -0.42 0.87 115.11 125.62 2uzg h GLN 97 Ca 0.30 -0.07 0.13 0.00 0.50 0.00 0.00 58.65 59.51 2uzg h GLN 97 Cb 0.09 0.01 -0.11 0.00 0.05 0.00 0.00 27.48 27.51 2uzg h GLN 97 CO -0.14 0.61 -0.04 0.93 -1.50 0.00 0.00 178.83 178.69 2uzg h GLU 98 N -0.38 0.08 -0.46 1.46 5.08 -0.97 -1.66 114.58 117.74 2uzg h GLU 98 Ca 0.00 -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 0.00 179.01 178.32 2uzg n THR 99 N -5.33 1.27 -1.73 1.13 -2.24 -0.75 -4.95 114.28 101.69 2uzg n THR 99 Ca 0.09 -1.13 -0.19 0.00 -2.27 0.00 0.00 64.05 60.55 2uzg n THR 99 Cb 0.35 0.36 -0.07 0.00 -2.10 0.00 0.00 70.33 68.88 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 0.72 -1.50 -2.81 -0.78 5.02 0.20 -4.90 118.16 114.11 2uzg n LYS 100 Ca 0.17 1.08 -0.43 0.00 -2.02 0.00 0.00 58.31 57.12 2uzg n LYS 100 Cb 0.59 -5.50 -0.03 0.00 -0.02 0.00 0.00 35.03 30.07 2uzg n LYS 100 CO 0.00 0.00 0.00 -1.01 -0.52 0.00 0.00 177.40 175.87 2uzg s HIS 101 N -2.68 2.73 -0.37 2.13 3.76 0.24 -4.86 115.29 116.23 2uzg s HIS 101 Ca 0.00 -0.74 0.05 0.00 -0.15 0.00 0.00 55.06 54.22 2uzg s HIS 101 Cb 0.00 -4.37 0.44 0.00 1.11 0.00 0.00 32.58 29.76 2uzg s HIS 101 CO 0.00 -1.69 1.44 0.66 -0.85 0.00 0.00 174.74 174.30 2uzg n TYR 102 N 7.72 1.63 -3.89 1.40 4.02 -1.26 -4.05 117.16 122.73 2uzg n TYR 102 Ca 0.08 -0.98 -0.27 0.00 -0.01 0.00 0.00 57.90 56.72 2uzg n TYR 102 Cb 0.47 -0.55 -0.17 0.00 -0.02 0.00 0.00 39.34 39.07 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 -1.86 1.18 0.00 7.72 2.01 -1.26 -0.97 118.68 125.50 2uzg s LEU 103 Ca 0.34 -0.33 0.00 0.00 0.01 0.00 0.00 54.13 54.16 2uzg s LEU 103 Cb 0.27 -0.82 -0.00 0.00 0.01 0.00 0.00 46.19 45.65 2uzg s LEU 103 CO 0.08 -0.13 -0.02 0.28 1.01 0.00 0.00 176.35 177.57 2uzg s THR 104 N 1.72 0.12 -0.19 5.49 -1.32 -0.80 -1.79 115.64 118.88 2uzg s THR 104 Ca 0.05 -0.18 0.01 0.00 -1.21 0.00 0.00 61.69 60.35 2uzg s THR 104 Cb -0.13 -0.13 0.02 0.00 -1.51 0.00 0.00 72.50 70.75 2uzg s THR 104 CO -0.08 -0.04 -0.19 0.54 -2.21 0.00 0.00 174.62 172.64 2uzg s VAL 105 N -0.23 2.05 -0.11 5.08 0.11 -0.49 0.36 120.40 127.16 2uzg s VAL 105 Ca -0.02 -0.99 -0.30 0.00 -2.93 0.00 0.00 61.98 57.75 2uzg s VAL 105 Cb -0.02 -1.88 -0.03 0.00 -1.53 0.00 0.00 36.38 32.92 2uzg s VAL 105 CO -0.00 0.49 1.34 0.54 -3.33 0.00 0.00 175.10 174.14 2uzg s ASN 106 N 1.28 6.89 0.00 3.54 2.20 0.03 -1.64 114.94 127.24 2uzg s ASN 106 Ca 0.04 1.86 0.18 0.00 -0.94 0.00 0.00 52.86 53.99 2uzg s ASN 106 Cb -0.14 -2.54 0.76 0.00 -2.00 0.00 0.00 41.25 37.33 2uzg s ASN 106 CO -0.12 -0.76 1.57 0.18 -2.94 0.00 0.00 177.10 175.02 2uzg n LEU 107 N 6.38 0.00 0.07 3.54 4.77 -0.18 0.41 117.00 132.00 2uzg n LEU 107 Ca 0.14 0.50 -0.13 0.00 -0.03 0.00 0.00 56.01 56.49 2uzg n LEU 107 Cb 0.44 -0.50 -0.14 0.00 -2.33 0.00 0.00 43.42 40.90 2uzg n LEU 107 CO 0.57 -0.19 -0.12 0.74 -1.33 0.00 0.00 177.39 177.05 2uzg h THR 108 N 0.00 1.40 -0.00 -5.08 2.02 -1.91 -3.37 112.91 105.98 2uzg h THR 108 Ca 0.00 -3.05 0.00 0.00 0.77 0.00 0.00 66.41 64.13 2uzg h THR 108 Cb 0.30 2.82 0.00 0.00 -1.74 0.00 0.00 68.15 69.54 2uzg h THR 108 CO 0.00 0.86 -0.02 0.41 0.37 0.00 0.00 175.52 177.14 2uzg n THR 109 N -3.42 0.00 -2.94 3.16 -1.04 -1.14 -5.01 114.28 103.90 2uzg n THR 109 Ca -0.09 -0.49 -0.22 0.00 -2.04 0.00 0.00 64.05 61.21 2uzg n THR 109 Cb 1.01 1.01 0.03 0.00 -1.82 0.00 0.00 70.33 70.56 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 -0.47 -2.60 -4.56 -4.42 4.77 0.17 -4.99 117.00 104.91 2uzg n LEU 110 Ca 0.00 -0.25 -0.28 0.00 -0.03 0.00 0.00 56.01 55.45 2uzg n LEU 110 Cb 0.02 -2.99 -0.10 0.00 -2.33 0.00 0.00 43.42 38.03 2uzg n LEU 110 CO 0.01 0.17 -0.43 -0.13 -1.33 0.00 0.00 177.39 175.69 2uzg s ARG 111 N -5.62 2.03 0.07 3.23 0.52 -1.16 -4.93 118.95 113.10 2uzg s ARG 111 Ca 0.26 -1.15 0.02 0.00 -0.52 0.00 0.00 55.73 54.34 2uzg s ARG 111 Cb -0.12 -2.21 -0.04 0.00 0.52 0.00 0.00 34.95 33.10 2uzg s ARG 111 CO 0.33 0.47 0.15 0.08 0.02 0.00 0.00 175.30 176.35 2uzg s VAL 112 N -1.39 4.96 -0.01 3.52 1.01 -1.19 -0.79 120.40 126.51 2uzg s VAL 112 Ca 0.22 -0.59 0.03 0.00 0.00 0.00 0.00 61.98 61.64 2uzg s VAL 112 Cb -0.10 -3.41 -0.01 0.00 0.00 0.00 0.00 36.38 32.86 2uzg s VAL 112 CO 0.14 0.13 -0.09 0.86 0.00 0.00 0.00 175.10 176.13 2uzg s TRP 113 N -1.46 0.84 -0.30 5.22 -0.11 0.16 -1.31 118.94 121.98 2uzg s TRP 113 Ca 0.32 -0.16 -0.03 0.00 1.22 0.00 0.00 56.10 57.45 2uzg s TRP 113 Cb -0.13 -0.55 0.04 0.00 -1.50 0.00 0.00 33.47 31.34 2uzg s TRP 113 CO 0.25 -0.02 0.02 0.00 -4.62 0.00 0.00 176.95 172.58 2uzg h TYR 115 N 8.08 0.92 0.24 0.00 0.05 -1.31 0.84 116.97 125.79 2uzg h TYR 115 Ca -0.25 -0.26 -0.01 0.00 0.05 0.00 0.00 58.73 58.26 2uzg h TYR 115 Cb 1.08 -0.20 -0.00 0.00 1.01 0.00 0.00 36.73 38.62 2uzg h TYR 115 CO 0.60 1.02 -0.13 0.00 -1.05 0.00 0.00 178.16 178.60 2uzg h ALA 116 N 0.75 -0.35 -0.00 3.88 0.00 -1.95 -2.54 119.26 119.06 2uzg h ALA 116 Ca 0.06 -0.07 -0.10 0.00 0.00 0.00 0.00 54.91 54.81 2uzg h ALA 116 Cb 0.83 0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.76 2uzg h ALA 116 CO 0.07 -0.70 -0.46 0.00 0.00 0.00 0.00 179.25 178.16 2uzg n SER 118 N -4.00 -2.24 -2.84 0.00 3.41 0.21 -5.05 113.62 103.11 2uzg n SER 118 Ca -0.02 -0.09 -0.04 0.00 -0.26 0.00 0.00 58.87 58.46 2uzg n SER 118 Cb 0.48 -1.22 0.02 0.00 -0.26 0.00 0.00 64.21 63.23 2uzg n SER 118 CO 0.00 0.00 0.00 2.29 -0.16 0.00 0.00 175.04 177.17 2uzg n LYS 119 N -1.39 0.68 -3.63 4.33 -0.00 -0.70 -5.03 118.16 112.42 2uzg n LYS 119 Ca -0.03 -1.47 -0.37 0.00 -0.00 0.00 0.00 58.31 56.44 2uzg n LYS 119 Cb 0.52 1.92 -0.06 0.00 -0.00 0.00 0.00 35.03 37.41 2uzg n LYS 119 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.40 175.57 2uzg s GLU 120 N -2.05 3.80 0.32 -1.58 1.03 -1.26 -0.10 118.70 118.85 2uzg s GLU 120 Ca 0.18 0.19 0.08 0.00 0.03 0.00 0.00 54.97 55.45 2uzg s GLU 120 Cb -0.03 -3.24 -0.06 0.00 -0.80 0.00 0.00 34.13 30.00 2uzg s GLU 120 CO 0.06 0.66 -0.07 0.14 -1.33 0.00 0.00 175.26 174.72 2uzg s VAL 121 N -0.86 1.99 -0.15 1.83 -7.23 -0.43 -4.87 120.40 110.68 2uzg s VAL 121 Ca 0.20 -2.16 0.02 0.00 -1.81 0.00 0.00 61.98 58.22 2uzg s VAL 121 Cb -0.15 -2.59 0.01 0.00 0.56 0.00 0.00 36.38 34.21 2uzg s VAL 121 CO 0.09 -0.22 -0.21 0.72 -0.31 0.00 0.00 175.10 175.17 2uzg s PHE 122 N -2.78 2.71 0.32 2.82 -0.12 -1.26 -3.15 117.98 116.52 2uzg s PHE 122 Ca 0.32 -1.38 -0.12 0.00 -0.05 0.00 0.00 56.93 55.70 2uzg s PHE 122 Cb 0.03 -1.85 -0.08 0.00 -0.63 0.00 0.00 43.02 40.50 2uzg s PHE 122 CO 0.15 -0.64 0.69 -0.51 -0.05 0.00 0.00 175.22 174.85 2uzg s LEU 123 N 0.92 4.02 0.10 -1.99 2.01 -1.26 -5.08 118.68 117.41 2uzg s LEU 123 Ca -0.04 1.11 0.03 0.00 0.01 0.00 0.00 54.13 55.24 2uzg s LEU 123 Cb -0.15 -3.93 -0.04 0.00 0.01 0.00 0.00 46.19 42.08 2uzg s LEU 123 CO -0.04 -0.23 -0.09 -1.81 1.01 0.00 0.00 176.35 175.19 2uzg s ASP 124 N -2.60 1.39 0.39 2.29 1.01 -1.26 -5.04 116.67 112.86 2uzg s ASP 124 Ca 0.51 -0.87 0.19 0.00 0.71 0.00 0.00 52.55 53.09 2uzg s ASP 124 Cb -0.10 0.03 0.79 0.00 1.01 0.00 0.00 42.92 44.64 2uzg s ASP 124 CO 0.23 -0.32 1.79 0.03 0.21 0.00 0.00 175.17 177.11 2uzg h ARG 125 N 3.36 0.00 -4.16 8.23 3.08 -2.03 -3.47 114.38 119.39 2uzg h ARG 125 Ca -0.37 0.00 -0.37 0.00 0.07 0.00 0.00 59.98 59.31 2uzg h ARG 125 Cb 1.18 0.00 0.06 0.00 0.08 0.00 0.00 29.97 31.29 2uzg h ARG 125 CO 0.57 0.34 -0.56 1.63 -1.07 0.00 0.00 179.97 180.87 2uzg n LYS 126 N -3.60 -4.59 -3.76 0.04 5.02 -1.26 -5.00 118.16 105.01 2uzg n LYS 126 Ca -0.01 0.84 -0.24 0.00 -2.02 0.00 0.00 58.31 56.88 2uzg n LYS 126 Cb 0.46 -5.54 -0.02 0.00 -0.02 0.00 0.00 35.03 29.91 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 -3.74 0.00 0.00 -0.35 4.77 -1.26 -4.73 117.00 111.68 2uzg n LEU 127 Ca -0.10 -2.56 0.00 0.00 -0.03 0.00 0.00 56.01 53.32 2uzg n LEU 127 Cb 0.61 0.07 0.00 0.00 -2.33 0.00 0.00 43.42 41.77 2uzg n LEU 127 CO 0.44 -0.50 0.00 0.61 -1.33 0.00 0.00 177.39 176.61 2uzg n GLY 128 N -0.57 3.23 1.63 -0.72 0.00 -1.26 -4.81 105.19 102.68 2uzg n GLY 128 Ca -0.07 -1.03 0.00 0.00 0.00 0.00 0.00 46.02 44.93 2uzg n GLY 128 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2uzg n THR 129 N 0.00 0.13 1.72 2.61 -1.04 -1.26 -5.34 114.28 111.10 2uzg n THR 129 Ca 0.00 0.04 0.14 0.00 -2.04 0.00 0.00 64.05 62.19 2uzg n THR 129 Cb 0.00 -0.53 0.82 0.00 -1.82 0.00 0.00 70.33 68.80 2uzg n THR 129 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43