#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 6.84 0.08 6.15 4.22 -1.26 -5.00 114.94 125.97 2uzg s ASN 37 Ca 0.00 2.11 0.01 0.00 -2.14 0.00 0.00 52.86 52.84 2uzg s ASN 37 Cb 0.00 -2.56 -0.00 0.00 1.28 0.00 0.00 41.25 39.97 2uzg s ASN 37 CO 0.00 -0.74 0.03 1.57 -2.04 0.00 0.00 177.10 175.92 2uzg n HIS 38 N 5.57 -0.01 -4.24 1.54 -0.00 -1.26 -5.15 115.22 111.66 2uzg n HIS 38 Ca 0.14 -0.53 -0.34 0.00 0.46 0.00 0.00 57.72 57.44 2uzg n HIS 38 Cb 0.44 0.01 -0.10 0.00 -0.12 0.00 0.00 29.99 30.21 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 6.24 0.58 -0.51 0.00 0.13 -2.01 -1.48 132.00 134.95 2uzg h PRO 40 Ca -0.39 -0.22 0.09 0.00 -0.87 0.00 0.00 66.00 64.60 2uzg h PRO 40 Cb 1.18 -0.03 -0.10 0.00 0.13 0.00 0.00 31.00 32.18 2uzg h PRO 40 CO 0.63 0.78 -0.37 0.45 -0.23 0.00 0.00 178.00 179.26 2uzg h HIS 41 N 0.34 -1.05 -0.07 1.56 3.86 -2.00 0.35 115.15 118.14 2uzg h HIS 41 Ca 0.07 0.07 -0.21 0.00 -1.16 0.00 0.00 60.37 59.15 2uzg h HIS 41 Cb 0.57 0.54 0.00 0.00 1.06 0.00 0.00 27.41 29.57 2uzg h HIS 41 CO 0.05 -0.40 -0.80 1.37 0.86 0.00 0.00 177.93 179.00 2uzg h LEU 42 N -0.23 0.61 -2.57 2.43 8.10 -1.94 -3.07 115.31 118.64 2uzg h LEU 42 Ca 0.19 -0.43 0.01 0.00 0.11 0.00 0.00 57.88 57.77 2uzg h LEU 42 Cb 0.56 -0.18 -0.00 0.00 -0.44 0.00 0.00 40.66 40.59 2uzg h LEU 42 CO -0.63 1.19 0.11 0.44 -4.11 0.00 0.00 178.44 175.44 2uzg h ASP 43 N 0.33 0.00 0.14 0.17 5.19 -0.13 -2.11 116.42 120.01 2uzg h ASP 43 Ca -0.05 0.00 -0.27 0.00 -0.62 0.00 0.00 57.03 56.09 2uzg h ASP 43 Cb 1.41 0.00 0.01 0.00 0.18 0.00 0.00 39.33 40.93 2uzg h ASP 43 CO 0.15 0.00 -1.30 -1.28 -3.12 0.00 0.00 179.24 173.69 2uzg h SER 44 N 0.00 0.48 -3.85 6.45 0.87 -0.88 -3.47 113.55 113.14 2uzg h SER 44 Ca 0.02 -0.90 -0.44 0.00 -1.23 0.00 0.00 61.79 59.24 2uzg h SER 44 Cb 0.23 -0.16 0.16 0.00 -0.44 0.00 0.00 62.40 62.20 2uzg h SER 44 CO -0.00 1.59 0.21 0.68 -0.53 0.00 0.00 176.83 178.78 2uzg s VAL 45 N -2.49 1.88 0.00 2.23 -7.23 -0.79 -4.93 120.40 109.07 2uzg s VAL 45 Ca -0.17 0.00 0.00 0.00 -1.81 0.00 0.00 61.98 60.00 2uzg s VAL 45 Cb 0.03 -2.58 0.00 0.00 0.56 0.00 0.00 36.38 34.39 2uzg s VAL 45 CO 0.81 0.00 0.00 0.61 -0.31 0.00 0.00 175.10 176.21 2uzg n GLY 46 N -1.48 3.80 3.15 2.32 0.00 -1.25 -4.87 105.19 106.86 2uzg n GLY 46 Ca 0.08 -1.55 -0.09 0.00 0.00 0.00 0.00 46.02 44.46 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 4.94 0.90 0.12 1.61 2.12 -1.26 -4.75 118.70 122.37 2uzg s GLU 47 Ca 0.00 -1.40 0.07 0.00 0.36 0.00 0.00 54.97 54.01 2uzg s GLU 47 Cb 0.00 0.25 -0.04 0.00 0.26 0.00 0.00 34.13 34.60 2uzg s GLU 47 CO 0.00 -0.25 -0.09 0.42 -0.54 0.00 0.00 175.26 174.79 2uzg s ILE 48 N -4.03 3.37 0.67 -3.70 1.01 -1.26 -4.92 121.20 112.34 2uzg s ILE 48 Ca 0.22 -1.32 -0.11 0.00 0.00 0.00 0.00 60.65 59.43 2uzg s ILE 48 Cb 0.07 -2.60 -0.01 0.00 0.01 0.00 0.00 42.46 39.94 2uzg s ILE 48 CO 0.00 0.07 1.05 0.42 0.00 0.00 0.00 174.94 176.48 2uzg s THR 49 N -1.30 4.27 0.46 2.92 -4.23 -1.26 -4.89 115.64 111.61 2uzg s THR 49 Ca 0.22 0.74 0.17 0.00 -1.18 0.00 0.00 61.69 61.64 2uzg s THR 49 Cb -0.11 -3.57 0.22 0.00 1.34 0.00 0.00 72.50 70.38 2uzg s THR 49 CO 0.14 -0.96 2.04 0.50 -0.54 0.00 0.00 174.62 175.80 2uzg h LYS 50 N -0.58 0.00 -0.51 3.99 3.64 -2.00 -1.88 116.57 119.23 2uzg h LYS 50 Ca -0.44 0.00 -0.08 0.00 -1.27 0.00 0.00 60.65 58.86 2uzg h LYS 50 Cb 1.20 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 33.00 2uzg h LYS 50 CO 0.59 0.14 0.01 1.05 -2.27 0.00 0.00 179.45 178.97 2uzg h GLU 51 N 0.00 0.90 -0.10 1.90 4.11 -2.00 -0.74 114.58 118.66 2uzg h GLU 51 Ca -0.00 -0.28 -0.09 0.00 0.07 0.00 0.00 59.36 59.05 2uzg h GLU 51 Cb 0.26 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.43 2uzg h GLU 51 CO 0.02 0.92 -0.30 -0.44 0.07 0.00 0.00 179.01 179.27 2uzg h ASP 52 N 0.77 0.44 -0.01 3.06 5.19 -1.83 -3.21 116.42 120.83 2uzg h ASP 52 Ca 0.15 -0.61 -0.04 0.00 -0.62 0.00 0.00 57.03 55.91 2uzg h ASP 52 Cb 0.51 -0.13 -0.01 0.00 0.18 0.00 0.00 39.33 39.88 2uzg h ASP 52 CO 0.02 0.97 -0.08 -0.07 -3.12 0.00 0.00 179.24 176.96 2uzg h LEU 53 N -0.07 0.21 -0.85 1.55 3.38 -1.35 -2.70 115.31 115.47 2uzg h LEU 53 Ca -0.01 -0.03 0.11 0.00 0.09 0.00 0.00 57.88 58.04 2uzg h LEU 53 Cb 0.93 -0.05 -0.08 0.00 0.09 0.00 0.00 40.66 41.54 2uzg h LEU 53 CO 0.06 0.32 0.48 -0.29 0.09 0.00 0.00 178.44 179.11 2uzg h ILE 54 N 0.22 0.86 -0.25 1.22 2.10 -1.12 0.84 117.51 121.37 2uzg h ILE 54 Ca 0.05 -0.26 -0.07 0.00 1.08 0.00 0.00 64.86 65.65 2uzg h ILE 54 Cb 0.29 0.03 -0.01 0.00 -1.09 0.00 0.00 36.82 36.04 2uzg h ILE 54 CO 0.01 0.14 -0.13 -0.61 -1.08 0.00 0.00 178.15 176.48 2uzg h GLN 55 N 0.76 0.53 -0.14 2.19 -0.00 -1.57 -2.61 115.11 114.27 2uzg h GLN 55 Ca 0.43 -0.24 -0.08 0.00 -0.00 0.00 0.00 58.65 58.76 2uzg h GLN 55 Cb 0.46 -0.01 -0.01 0.00 0.00 0.00 0.00 27.48 27.92 2uzg h GLN 55 CO -0.28 0.80 -0.26 0.87 0.00 0.00 0.00 178.83 179.96 2uzg h LYS 56 N 0.26 0.25 0.00 1.69 1.57 -1.26 -1.95 116.57 117.12 2uzg h LYS 56 Ca 0.05 -0.08 0.00 0.00 -1.87 0.00 0.00 60.65 58.75 2uzg h LYS 56 Cb 0.65 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.94 2uzg h LYS 56 CO 0.04 0.49 0.00 -1.13 -0.57 0.00 0.00 179.45 178.28 2uzg n SER 57 N -4.16 0.40 0.30 0.86 3.41 0.28 -2.99 113.62 111.73 2uzg n SER 57 Ca -0.01 0.58 0.20 0.00 -0.26 0.00 0.00 58.87 59.38 2uzg n SER 57 Cb 0.37 -0.67 1.03 0.00 -0.26 0.00 0.00 64.21 64.67 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 -0.63 1.04 3.38 -0.97 -3.46 115.31 114.67 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 0.40 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.15 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 3.02 0.83 0.00 -1.16 -4.66 105.19 102.84 2uzg n GLY 59 Ca -0.02 -0.17 -0.13 0.00 0.00 0.00 0.00 46.02 45.70 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 -1.65 -0.01 0.13 2.61 -4.23 -1.26 0.03 115.64 111.27 2uzg s THR 60 Ca 0.00 0.03 -0.21 0.00 -1.18 0.00 0.00 61.69 60.33 2uzg s THR 60 Cb 0.00 -0.23 -0.07 0.00 1.34 0.00 0.00 72.50 73.54 2uzg s THR 60 CO 0.00 0.01 0.66 0.00 -0.54 0.00 0.00 174.62 174.75 2uzg h GLN 62 N 4.28 0.00 0.00 0.00 4.15 -1.56 -3.35 115.11 118.63 2uzg h GLN 62 Ca -0.48 0.00 -0.19 0.00 0.77 0.00 0.00 58.65 58.75 2uzg h GLN 62 Cb 1.21 0.00 -0.03 0.00 0.21 0.00 0.00 27.48 28.87 2uzg h GLN 62 CO 0.65 0.42 -1.19 -0.25 -1.93 0.00 0.00 178.83 176.53 2uzg n ASP 63 N -3.31 1.86 -1.70 -0.69 9.92 -1.24 -4.97 116.55 116.41 2uzg n ASP 63 Ca 0.01 0.47 0.00 0.00 -0.53 0.00 0.00 54.79 54.74 2uzg n ASP 63 Cb 0.63 -0.92 0.00 0.00 -0.64 0.00 0.00 41.12 40.19 2uzg n ASP 63 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2uzg s LYS 65 N -1.50 2.17 -0.08 0.00 3.01 -1.26 -3.87 119.74 118.21 2uzg s LYS 65 Ca 0.00 -2.52 -0.00 0.00 -1.01 0.00 0.00 55.97 52.44 2uzg s LYS 65 Cb 0.00 -3.48 0.02 0.00 -1.01 0.00 0.00 37.83 33.37 2uzg s LYS 65 CO 0.00 -1.12 -0.05 0.14 0.51 0.00 0.00 175.35 174.83 2uzg s VAL 66 N -0.09 0.73 0.23 3.17 -7.23 -1.26 -4.98 120.40 110.97 2uzg s VAL 66 Ca 0.16 -0.13 -0.30 0.00 -1.81 0.00 0.00 61.98 59.90 2uzg s VAL 66 Cb -0.23 -0.79 -0.10 0.00 0.56 0.00 0.00 36.38 35.82 2uzg s VAL 66 CO -0.02 0.31 1.44 -1.10 -0.31 0.00 0.00 175.10 175.42 2uzg s GLN 67 N 1.63 4.27 0.00 4.82 -0.21 -1.26 -3.69 119.66 125.22 2uzg s GLN 67 Ca 0.01 2.28 0.00 0.00 0.02 0.00 0.00 55.36 57.67 2uzg s GLN 67 Cb -0.13 -3.13 0.00 0.00 1.00 0.00 0.00 33.01 30.76 2uzg s GLN 67 CO -0.05 -0.43 0.00 0.41 -2.12 0.00 0.00 175.29 173.10 2uzg n GLY 68 N 2.40 0.95 0.18 3.09 0.00 0.11 -4.77 105.19 107.16 2uzg n GLY 68 Ca 0.08 -1.28 0.04 0.00 0.00 0.00 0.00 46.02 44.85 2uzg n GLY 68 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2uzg h PRO 69 N 0.00 0.00 -5.14 1.61 0.13 -1.88 -3.49 132.00 123.23 2uzg h PRO 69 Ca 0.00 0.00 -0.38 0.00 -0.87 0.00 0.00 66.00 64.75 2uzg h PRO 69 Cb 0.00 0.00 -0.07 0.00 0.13 0.00 0.00 31.00 31.06 2uzg h PRO 69 CO 0.00 0.40 1.60 0.09 -0.23 0.00 0.00 178.00 179.86 2uzg n ASN 70 N -3.71 0.26 -3.71 1.44 5.03 -1.26 -4.44 115.26 108.88 2uzg n ASN 70 Ca -0.01 -0.38 -0.14 0.00 0.87 0.00 0.00 54.58 54.92 2uzg n ASN 70 Cb 0.49 -1.00 -0.09 0.00 -1.02 0.00 0.00 39.78 38.16 2uzg n ASN 70 CO 0.00 0.00 0.00 -0.76 -1.83 0.00 0.00 177.26 174.67 2uzg s LEU 71 N 7.48 0.39 0.12 3.41 1.43 -1.26 -4.77 118.68 125.48 2uzg s LEU 71 Ca 1.23 0.50 0.06 0.00 -1.03 0.00 0.00 54.13 54.88 2uzg s LEU 71 Cb -0.81 1.58 -0.04 0.00 0.03 0.00 0.00 46.19 46.95 2uzg s LEU 71 CO 0.42 -0.36 0.00 0.26 0.23 0.00 0.00 176.35 176.90 2uzg s TRP 72 N -0.71 2.95 -0.02 0.29 0.52 0.50 -1.29 118.94 121.18 2uzg s TRP 72 Ca -0.08 -0.06 0.04 0.00 0.02 0.00 0.00 56.10 56.02 2uzg s TRP 72 Cb -0.04 -1.49 -0.01 0.00 -1.15 0.00 0.00 33.47 30.79 2uzg s TRP 72 CO 0.04 0.49 -0.14 0.00 0.02 0.00 0.00 176.95 177.36 2uzg s ALA 73 N -1.43 1.16 0.10 0.98 0.00 -0.58 -0.34 121.76 121.65 2uzg s ALA 73 Ca 0.26 -0.57 -0.32 0.00 0.00 0.00 0.00 51.96 51.34 2uzg s ALA 73 Cb -0.11 -0.33 -0.11 0.00 0.00 0.00 0.00 23.12 22.57 2uzg s ALA 73 CO 0.18 0.26 1.81 0.00 0.00 0.00 0.00 175.76 178.01 2uzg h LEU 75 N 8.31 0.00 -9.07 0.00 5.85 -1.69 -3.44 115.31 115.27 2uzg h LEU 75 Ca -0.46 -0.00 -0.65 0.00 0.84 0.00 0.00 57.88 57.61 2uzg h LEU 75 Cb 1.23 0.00 0.01 0.00 0.37 0.00 0.00 40.66 42.27 2uzg h LEU 75 CO 0.94 0.00 1.17 1.21 -0.34 0.00 0.00 178.44 181.42 2uzg n GLU 76 N -2.52 1.76 -0.24 1.25 4.07 -1.26 -3.78 120.64 119.92 2uzg n GLU 76 Ca 0.05 0.61 0.09 0.00 -0.06 0.00 0.00 57.16 57.84 2uzg n GLU 76 Cb 0.46 -2.56 0.35 0.00 -0.06 0.00 0.00 31.44 29.63 2uzg n GLU 76 CO 0.00 0.00 0.00 -0.97 -0.06 0.00 0.00 177.13 176.10 2uzg h ASN 77 N 10.03 0.70 1.50 4.31 -1.24 -1.88 0.59 115.58 129.58 2uzg h ASN 77 Ca -0.43 0.02 -0.03 0.00 0.71 0.00 0.00 56.30 56.57 2uzg h ASN 77 Cb 1.29 -0.12 -0.00 0.00 0.73 0.00 0.00 38.32 40.21 2uzg h ASN 77 CO 0.97 0.41 -0.17 0.03 -1.29 0.00 0.00 177.43 177.38 2uzg h ARG 78 N 0.77 0.00 -6.01 6.67 -0.00 -1.98 -3.45 114.38 110.38 2uzg h ARG 78 Ca 0.39 0.00 -0.62 0.00 -0.50 0.00 0.00 59.98 59.24 2uzg h ARG 78 Cb 0.46 0.00 -0.06 0.00 0.00 0.00 0.00 29.97 30.37 2uzg h ARG 78 CO -0.16 0.17 -0.54 0.00 0.00 0.00 0.00 179.97 179.44 2uzg n SER 80 N 0.33 -0.35 -4.21 0.00 7.64 -1.26 -4.56 113.62 111.21 2uzg n SER 80 Ca -0.06 -2.87 -0.21 0.00 1.01 0.00 0.00 58.87 56.73 2uzg n SER 80 Cb 0.51 -0.13 -0.13 0.00 -1.01 0.00 0.00 64.21 63.46 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 -0.98 1.48 -0.15 1.43 2.02 -1.26 -5.05 117.35 114.84 2uzg s TYR 81 Ca 0.35 -0.41 -0.02 0.00 -0.37 0.00 0.00 57.07 56.61 2uzg s TYR 81 Cb 0.21 -0.84 -0.02 0.00 -0.40 0.00 0.00 41.96 40.91 2uzg s TYR 81 CO -0.13 0.11 -0.09 0.08 -1.57 0.00 0.00 175.55 173.95 2uzg s VAL 82 N -1.10 3.42 0.20 0.71 1.01 -1.26 -1.55 120.40 121.83 2uzg s VAL 82 Ca 0.03 -0.52 0.02 0.00 0.00 0.00 0.00 61.98 61.50 2uzg s VAL 82 Cb -0.09 -2.47 -0.05 0.00 0.00 0.00 0.00 36.38 33.76 2uzg s VAL 82 CO 0.03 0.50 0.02 -0.83 0.00 0.00 0.00 175.10 174.82 2uzg s GLY 83 N 0.43 1.37 -0.07 4.51 0.00 0.53 -1.27 107.32 112.82 2uzg s GLY 83 Ca -0.07 -1.67 -0.03 0.00 0.00 0.00 0.00 44.72 42.95 2uzg s GLY 83 CO 0.04 -1.56 0.08 0.00 0.00 0.00 0.00 173.10 171.67 2uzg n GLY 85 N 1.72 -2.41 0.34 0.00 0.00 -1.26 0.63 105.19 104.21 2uzg n GLY 85 Ca -0.17 -1.47 0.21 0.00 0.00 0.00 0.00 46.02 44.59 2uzg n GLY 85 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 2uzg h GLU 86 N 0.00 0.00 0.00 1.61 4.81 -1.89 0.42 114.58 119.53 2uzg h GLU 86 Ca -0.08 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.15 2uzg h GLU 86 Cb 0.25 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.63 2uzg h GLU 86 CO 0.05 0.00 0.00 0.77 -0.73 0.00 0.00 179.01 179.10 2uzg h SER 87 N 0.00 0.00 0.00 1.04 0.02 -1.98 -3.37 113.55 109.25 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 0.13 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.67 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 -2.89 0.00 -0.39 3.45 1.13 -0.36 -4.99 117.38 113.32 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 -0.09 0.00 0.00 0.11 0.00 0.00 30.24 30.37 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 -2.69 0.00 -2.64 5.09 0.31 -0.90 -5.00 118.33 112.49 2uzg n VAL 89 Ca 0.00 0.00 -0.11 0.00 -0.01 0.00 0.00 64.34 64.22 2uzg n VAL 89 Cb 0.00 0.38 -0.01 0.00 -0.91 0.00 0.00 33.84 33.30 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 -2.87 -0.28 4.52 2.03 0.13 -4.78 116.55 115.29 2uzg n ASP 90 Ca 0.00 0.18 0.11 0.00 0.52 0.00 0.00 54.79 55.59 2uzg n ASP 90 Cb 0.60 -2.48 0.35 0.00 -0.72 0.00 0.00 41.12 38.86 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 -0.16 0.88 -0.76 -0.67 3.86 0.03 0.82 115.15 119.15 2uzg h HIS 91 Ca -0.22 0.03 0.04 0.00 -1.16 0.00 0.00 60.37 59.05 2uzg h HIS 91 Cb 1.16 -0.28 -0.04 0.00 1.06 0.00 0.00 27.41 29.31 2uzg h HIS 91 CO 0.76 0.34 0.50 0.77 0.86 0.00 0.00 177.93 181.16 2uzg h SER 92 N 0.76 0.80 -0.00 2.45 0.02 -1.62 0.19 113.55 116.15 2uzg h SER 92 Ca 0.45 -0.01 -0.00 0.00 -0.84 0.00 0.00 61.79 61.39 2uzg h SER 92 Cb 0.64 -0.18 -0.00 0.00 0.14 0.00 0.00 62.40 63.00 2uzg h SER 92 CO -0.21 0.55 -0.00 0.74 -1.14 0.00 0.00 176.83 176.76 2uzg h THR 93 N 0.93 1.44 -0.08 -2.27 2.02 -1.14 -0.95 112.91 112.85 2uzg h THR 93 Ca 0.30 -1.30 0.02 0.00 0.77 0.00 0.00 66.41 66.20 2uzg h THR 93 Cb 0.06 2.32 -0.02 0.00 -1.74 0.00 0.00 68.15 68.77 2uzg h THR 93 CO -0.09 0.34 -0.04 0.40 0.37 0.00 0.00 175.52 176.50 2uzg h ILE 94 N -0.54 0.86 -0.91 3.11 2.04 -0.99 -1.45 117.51 119.63 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 0.56 0.86 -0.05 0.00 -0.74 0.00 0.00 36.82 37.45 2uzg h ILE 94 CO 0.00 0.00 0.60 -0.74 0.00 0.00 0.00 178.15 178.01 2uzg h HIS 95 N -0.04 1.10 -0.67 1.37 2.76 -0.68 -0.60 115.15 118.38 2uzg h HIS 95 Ca 0.05 0.03 0.04 0.00 -2.20 0.00 0.00 60.37 58.28 2uzg h HIS 95 Cb 0.11 -0.37 -0.05 0.00 1.55 0.00 0.00 27.41 28.65 2uzg h HIS 95 CO -0.15 0.64 0.41 1.03 -1.30 0.00 0.00 177.93 178.56 2uzg h SER 96 N 1.14 0.65 -0.04 3.26 0.87 -0.30 -1.74 113.55 117.40 2uzg h SER 96 Ca 0.36 0.01 -0.02 0.00 -1.23 0.00 0.00 61.79 60.91 2uzg h SER 96 Cb 0.00 -0.13 -0.00 0.00 -0.44 0.00 0.00 62.40 61.84 2uzg h SER 96 CO -0.11 0.44 -0.06 1.56 -0.53 0.00 0.00 176.83 178.14 2uzg h GLN 97 N 0.78 0.11 -0.58 2.24 7.50 -0.51 0.85 115.11 125.51 2uzg h GLN 97 Ca 0.28 -0.07 0.12 0.00 0.50 0.00 0.00 58.65 59.48 2uzg h GLN 97 Cb 0.07 0.01 -0.10 0.00 0.05 0.00 0.00 27.48 27.51 2uzg h GLN 97 CO -0.13 0.61 -0.03 0.93 -1.50 0.00 0.00 178.83 178.71 2uzg h GLU 98 N -0.37 0.08 -0.54 1.46 4.39 -0.92 -1.66 114.58 117.01 2uzg h GLU 98 Ca 0.00 -0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.70 2uzg h GLU 98 Cb 0.60 -0.02 0.00 0.00 -0.10 0.00 0.00 28.75 29.23 2uzg h GLU 98 CO 0.01 0.06 0.00 0.25 -1.16 0.00 0.00 179.01 178.17 2uzg n THR 99 N -5.30 1.21 -1.73 1.13 -2.24 -0.67 -4.94 114.28 101.75 2uzg n THR 99 Ca 0.07 -1.09 -0.19 0.00 -2.27 0.00 0.00 64.05 60.58 2uzg n THR 99 Cb 0.32 0.40 -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 0.99 -1.50 -2.83 -0.78 5.02 0.16 -4.90 118.16 114.33 2uzg n LYS 100 Ca 0.20 1.07 -0.43 0.00 -2.02 0.00 0.00 58.31 57.13 2uzg n LYS 100 Cb 0.61 -5.48 -0.03 0.00 -0.02 0.00 0.00 35.03 30.10 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 -2.67 2.76 -1.91 2.13 3.76 0.25 -4.85 115.29 114.76 2uzg s HIS 101 Ca 0.00 -0.79 0.08 0.00 -0.15 0.00 0.00 55.06 54.20 2uzg s HIS 101 Cb 0.00 -4.35 0.24 0.00 1.11 0.00 0.00 32.58 29.58 2uzg s HIS 101 CO 0.00 -1.66 1.18 0.66 -0.85 0.00 0.00 174.74 174.07 2uzg n TYR 102 N 7.59 0.39 -3.82 1.40 4.02 -1.26 -4.05 117.16 121.42 2uzg n TYR 102 Ca 0.08 -0.19 -0.36 0.00 -0.01 0.00 0.00 57.90 57.42 2uzg n TYR 102 Cb 0.47 -0.02 -0.13 0.00 -0.02 0.00 0.00 39.34 39.64 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 -1.00 3.45 -0.03 7.72 2.01 -1.26 -1.22 118.68 128.35 2uzg s LEU 103 Ca 0.18 -0.56 0.00 0.00 0.01 0.00 0.00 54.13 53.77 2uzg s LEU 103 Cb 0.10 -1.82 0.03 0.00 0.01 0.00 0.00 46.19 44.50 2uzg s LEU 103 CO 0.12 -0.11 -0.00 0.28 1.01 0.00 0.00 176.35 177.64 2uzg s THR 104 N 1.49 0.20 -0.17 5.49 -1.32 -0.82 -1.79 115.64 118.72 2uzg s THR 104 Ca 0.04 0.07 0.01 0.00 -1.21 0.00 0.00 61.69 60.60 2uzg s THR 104 Cb -0.16 -0.29 0.02 0.00 -1.51 0.00 0.00 72.50 70.56 2uzg s THR 104 CO 0.00 0.15 -0.20 0.54 -2.21 0.00 0.00 174.62 172.90 2uzg s VAL 105 N 0.99 2.02 -0.12 5.08 0.11 -0.77 0.42 120.40 128.13 2uzg s VAL 105 Ca -0.10 -0.92 -0.29 0.00 -2.93 0.00 0.00 61.98 57.73 2uzg s VAL 105 Cb -0.14 -1.83 -0.03 0.00 -1.53 0.00 0.00 36.38 32.86 2uzg s VAL 105 CO -0.02 0.53 1.43 0.54 -3.33 0.00 0.00 175.10 174.26 2uzg s ASN 106 N 1.26 6.83 0.26 3.54 2.20 -0.21 -1.53 114.94 127.28 2uzg s ASN 106 Ca 0.04 1.93 0.25 0.00 -0.94 0.00 0.00 52.86 54.13 2uzg s ASN 106 Cb -0.13 -2.54 0.95 0.00 -2.00 0.00 0.00 41.25 37.54 2uzg s ASN 106 CO -0.12 -0.83 1.74 0.18 -2.94 0.00 0.00 177.10 175.13 2uzg n LEU 107 N 6.82 0.74 0.06 3.54 4.77 -0.41 0.48 117.00 133.00 2uzg n LEU 107 Ca 0.15 0.65 -0.05 0.00 -0.03 0.00 0.00 56.01 56.74 2uzg n LEU 107 Cb 0.44 -0.52 -0.09 0.00 -2.33 0.00 0.00 43.42 40.92 2uzg n LEU 107 CO 0.59 -0.49 0.09 0.74 -1.33 0.00 0.00 177.39 176.99 2uzg h THR 108 N 0.00 1.36 -0.00 -5.08 2.02 -1.78 -3.36 112.91 106.07 2uzg h THR 108 Ca 0.00 -3.01 0.00 0.00 0.77 0.00 0.00 66.41 64.17 2uzg h THR 108 Cb 0.46 2.66 0.00 0.00 -1.74 0.00 0.00 68.15 69.53 2uzg h THR 108 CO 0.00 0.77 -0.04 0.41 0.37 0.00 0.00 175.52 177.03 2uzg n THR 109 N -3.26 0.00 -2.68 3.16 -1.04 -1.14 -5.01 114.28 104.32 2uzg n THR 109 Ca -0.03 -0.48 -0.20 0.00 -2.04 0.00 0.00 64.05 61.30 2uzg n THR 109 Cb 0.91 1.00 0.01 0.00 -1.82 0.00 0.00 70.33 70.44 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 -0.83 -2.27 -4.44 -4.42 4.77 0.18 -4.99 117.00 105.00 2uzg n LEU 110 Ca 0.00 -0.15 -0.33 0.00 -0.03 0.00 0.00 56.01 55.51 2uzg n LEU 110 Cb 0.02 -2.80 -0.14 0.00 -2.33 0.00 0.00 43.42 38.17 2uzg n LEU 110 CO 0.02 0.02 -0.45 -0.13 -1.33 0.00 0.00 177.39 175.52 2uzg s ARG 111 N -5.31 2.89 0.17 3.23 0.52 -1.16 -4.94 118.95 114.35 2uzg s ARG 111 Ca 0.15 -0.68 -0.06 0.00 -0.52 0.00 0.00 55.73 54.62 2uzg s ARG 111 Cb -0.07 -2.50 -0.06 0.00 0.52 0.00 0.00 34.95 32.85 2uzg s ARG 111 CO 0.18 0.45 0.42 0.08 0.02 0.00 0.00 175.30 176.45 2uzg s VAL 112 N -0.27 5.11 0.01 3.52 1.01 -1.14 -1.05 120.40 127.60 2uzg s VAL 112 Ca 0.02 0.12 0.03 0.00 0.00 0.00 0.00 61.98 62.15 2uzg s VAL 112 Cb -0.13 -3.63 -0.01 0.00 0.00 0.00 0.00 36.38 32.61 2uzg s VAL 112 CO 0.03 0.00 -0.11 0.86 0.00 0.00 0.00 175.10 175.89 2uzg s TRP 113 N -1.70 0.94 -0.26 5.22 -0.11 0.17 -0.90 118.94 122.28 2uzg s TRP 113 Ca 0.42 -0.27 0.01 0.00 1.22 0.00 0.00 56.10 57.49 2uzg s TRP 113 Cb -0.12 -0.58 0.05 0.00 -1.50 0.00 0.00 33.47 31.32 2uzg s TRP 113 CO 0.24 -0.01 -0.08 0.00 -4.62 0.00 0.00 176.95 172.49 2uzg h TYR 115 N 7.89 0.90 0.21 0.00 0.05 -1.42 0.99 116.97 125.58 2uzg h TYR 115 Ca -0.23 -0.25 -0.00 0.00 0.05 0.00 0.00 58.73 58.29 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 0.61 1.01 -0.13 0.00 -1.05 0.00 0.00 178.16 178.60 2uzg h ALA 116 N 0.75 -0.32 -0.01 3.88 0.00 -1.95 -2.44 119.26 119.18 2uzg h ALA 116 Ca 0.06 -0.06 -0.10 0.00 0.00 0.00 0.00 54.91 54.82 2uzg h ALA 116 Cb 0.82 0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.76 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 -2.11 -3.65 0.00 2.88 0.26 -5.05 113.62 101.95 2uzg n SER 118 Ca -0.02 -0.13 0.00 0.00 -1.33 0.00 0.00 58.87 57.40 2uzg n SER 118 Cb 0.48 -1.42 0.00 0.00 -0.75 0.00 0.00 64.21 62.52 2uzg n SER 118 CO 0.00 0.00 0.00 -1.59 -1.23 0.00 0.00 175.04 172.22 2uzg s LYS 119 N -4.16 0.64 0.24 -1.46 0.00 -0.72 -5.04 119.74 109.25 2uzg s LYS 119 Ca 0.01 -0.39 -0.18 0.00 0.00 0.00 0.00 55.97 55.41 2uzg s LYS 119 Cb -0.00 0.20 -0.08 0.00 0.00 0.00 0.00 37.83 37.94 2uzg s LYS 119 CO 0.15 -0.30 0.71 -1.83 0.00 0.00 0.00 175.35 174.08 2uzg s GLU 120 N -2.37 4.16 0.28 1.78 1.03 -1.26 -0.47 118.70 121.85 2uzg s GLU 120 Ca 0.20 0.78 0.03 0.00 0.03 0.00 0.00 54.97 56.01 2uzg s GLU 120 Cb 0.01 -2.77 -0.04 0.00 -0.80 0.00 0.00 34.13 30.53 2uzg s GLU 120 CO -0.01 0.34 0.19 0.14 -1.33 0.00 0.00 175.26 174.59 2uzg s VAL 121 N -1.63 0.11 -0.14 1.83 -7.23 -0.08 -4.85 120.40 108.41 2uzg s VAL 121 Ca 0.45 -2.00 0.01 0.00 -1.81 0.00 0.00 61.98 58.63 2uzg s VAL 121 Cb -0.15 -2.50 0.02 0.00 0.56 0.00 0.00 36.38 34.31 2uzg s VAL 121 CO 0.20 0.00 -0.16 0.72 -0.31 0.00 0.00 175.10 175.55 2uzg s PHE 122 N -3.75 2.26 0.54 2.82 -0.71 -1.26 -2.90 117.98 114.99 2uzg s PHE 122 Ca 0.38 -1.21 -0.16 0.00 -1.04 0.00 0.00 56.93 54.90 2uzg s PHE 122 Cb 0.05 -1.62 -0.06 0.00 -1.21 0.00 0.00 43.02 40.18 2uzg s PHE 122 CO 0.19 -0.63 1.01 -1.17 -1.34 0.00 0.00 175.22 173.28 2uzg s LEU 123 N 1.25 3.58 0.10 -1.99 2.96 -1.26 -5.06 118.68 118.25 2uzg s LEU 123 Ca 0.01 1.67 0.00 0.00 -0.22 0.00 0.00 54.13 55.58 2uzg s LEU 123 Cb -0.14 -4.52 -0.04 0.00 0.50 0.00 0.00 46.19 41.99 2uzg s LEU 123 CO -0.08 -0.81 -0.02 -1.81 -1.32 0.00 0.00 176.35 172.32 2uzg s ASP 124 N -2.96 0.74 -0.13 3.68 1.11 -1.26 -5.06 116.67 112.79 2uzg s ASP 124 Ca 0.61 -1.08 0.10 0.00 0.18 0.00 0.00 52.55 52.36 2uzg s ASP 124 Cb -0.12 0.18 -0.23 0.00 1.07 0.00 0.00 42.92 43.81 2uzg s ASP 124 CO 0.33 -0.59 0.34 -1.14 1.18 0.00 0.00 175.17 175.30 2uzg n ARG 125 N -0.03 0.67 -3.81 8.23 3.00 -1.26 -4.82 116.66 118.64 2uzg n ARG 125 Ca -0.10 0.18 -0.13 0.00 -0.00 0.00 0.00 57.85 57.80 2uzg n ARG 125 Cb 0.62 -1.67 -0.14 0.00 0.00 0.00 0.00 32.46 31.27 2uzg n ARG 125 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.63 177.78 2uzg s LYS 126 N -2.55 0.05 -0.04 -0.14 1.02 -1.26 -5.04 119.74 111.78 2uzg s LYS 126 Ca -0.12 0.18 0.07 0.00 0.02 0.00 0.00 55.97 56.12 2uzg s LYS 126 Cb 0.07 -0.08 -0.24 0.00 -0.52 0.00 0.00 37.83 37.06 2uzg s LYS 126 CO 0.79 -0.08 0.66 -0.07 -0.92 0.00 0.00 175.35 175.73 2uzg h LEU 127 N 6.63 0.11 -5.20 3.17 3.38 -2.02 -3.38 115.31 118.00 2uzg h LEU 127 Ca -0.34 -0.23 -0.72 0.00 0.09 0.00 0.00 57.88 56.69 2uzg h LEU 127 Cb 1.17 -0.04 -0.32 0.00 0.09 0.00 0.00 40.66 41.56 2uzg h LEU 127 CO 0.46 1.20 0.47 0.61 0.09 0.00 0.00 178.44 181.27 2uzg n GLY 128 N 1.63 5.78 0.16 0.83 0.00 -1.26 -4.70 105.19 107.63 2uzg n GLY 128 Ca -0.19 -2.60 -0.03 0.00 0.00 0.00 0.00 46.02 43.20 2uzg n GLY 128 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 2uzg h THR 129 N 2.28 1.39 0.00 2.61 2.02 -2.01 -3.56 112.91 115.65 2uzg h THR 129 Ca 0.45 -1.95 0.00 0.00 0.77 0.00 0.00 66.41 65.68 2uzg h THR 129 Cb 0.34 2.01 0.00 0.00 -1.74 0.00 0.00 68.15 68.76 2uzg h THR 129 CO 1.18 0.57 0.00 1.67 0.37 0.00 0.00 175.52 179.31