#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 2.88 0.27 6.15 0.01 -1.26 -5.15 114.94 117.84 2uzg s ASN 37 Ca 0.00 -0.90 -0.21 0.00 -0.71 0.00 0.00 52.86 51.04 2uzg s ASN 37 Cb 0.00 -0.18 0.02 0.00 0.41 0.00 0.00 41.25 41.50 2uzg s ASN 37 CO 0.00 -0.02 0.72 -2.28 -1.51 0.00 0.00 177.10 174.01 2uzg s HIS 38 N -2.15 -0.20 0.22 2.20 2.46 -1.26 -5.08 115.29 111.47 2uzg s HIS 38 Ca 0.19 -0.24 -0.30 0.00 0.47 0.00 0.00 55.06 55.18 2uzg s HIS 38 Cb -0.05 0.70 -0.09 0.00 -0.13 0.00 0.00 32.58 33.01 2uzg s HIS 38 CO 0.08 -1.22 1.14 0.00 -2.47 0.00 0.00 174.74 172.28 2uzg h PRO 40 N 4.66 0.43 -0.51 0.00 0.13 -2.01 -1.26 132.00 133.43 2uzg h PRO 40 Ca -0.45 -0.20 0.09 0.00 -0.87 0.00 0.00 66.00 64.57 2uzg h PRO 40 Cb 1.21 -0.01 -0.10 0.00 0.13 0.00 0.00 31.00 32.23 2uzg h PRO 40 CO 0.71 0.74 -0.37 0.45 -0.23 0.00 0.00 178.00 179.30 2uzg h HIS 41 N 0.11 -1.05 -0.07 1.56 3.86 -1.99 0.15 115.15 117.72 2uzg h HIS 41 Ca 0.04 0.07 -0.20 0.00 -1.16 0.00 0.00 60.37 59.12 2uzg h HIS 41 Cb 0.63 0.53 0.00 0.00 1.06 0.00 0.00 27.41 29.63 2uzg h HIS 41 CO 0.07 -0.40 -0.79 1.37 0.86 0.00 0.00 177.93 179.03 2uzg h LEU 42 N -0.23 0.60 -2.79 2.43 8.10 -1.93 -3.06 115.31 118.43 2uzg h LEU 42 Ca 0.19 -0.41 0.00 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 40.60 2uzg h LEU 42 CO -0.63 1.18 0.01 0.44 -4.11 0.00 0.00 178.44 175.33 2uzg h ASP 43 N 0.32 0.00 0.15 0.17 5.19 0.02 -2.32 116.42 119.95 2uzg h ASP 43 Ca -0.05 0.00 -0.26 0.00 -0.62 0.00 0.00 57.03 56.11 2uzg h ASP 43 Cb 1.40 0.00 0.01 0.00 0.18 0.00 0.00 39.33 40.92 2uzg h ASP 43 CO 0.14 0.00 -1.21 0.77 -3.12 0.00 0.00 179.24 175.82 2uzg h SER 44 N 0.00 0.51 -3.97 6.45 4.64 -0.64 -3.47 113.55 117.07 2uzg h SER 44 Ca 0.00 -0.91 -0.45 0.00 -0.47 0.00 0.00 61.79 59.96 2uzg h SER 44 Cb 0.02 -0.17 0.15 0.00 -0.31 0.00 0.00 62.40 62.09 2uzg h SER 44 CO -0.00 1.56 0.23 0.68 -0.87 0.00 0.00 176.83 178.43 2uzg s VAL 45 N -2.48 1.97 0.00 0.95 -7.23 -0.87 -4.95 120.40 107.78 2uzg s VAL 45 Ca -0.15 0.00 0.00 0.00 -1.81 0.00 0.00 61.98 60.02 2uzg s VAL 45 Cb 0.03 -2.59 0.00 0.00 0.56 0.00 0.00 36.38 34.38 2uzg s VAL 45 CO 0.83 0.00 0.00 0.61 -0.31 0.00 0.00 175.10 176.23 2uzg n GLY 46 N -1.53 3.50 2.99 2.32 0.00 -1.25 -4.87 105.19 106.35 2uzg n GLY 46 Ca 0.06 -1.55 -0.09 0.00 0.00 0.00 0.00 46.02 44.44 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 4.93 0.33 0.17 1.61 2.12 -1.26 -4.69 118.70 121.91 2uzg s GLU 47 Ca 0.00 -0.61 -0.02 0.00 0.36 0.00 0.00 54.97 54.70 2uzg s GLU 47 Cb 0.00 0.12 -0.05 0.00 0.26 0.00 0.00 34.13 34.46 2uzg s GLU 47 CO 0.00 -0.06 0.37 0.42 -0.54 0.00 0.00 175.26 175.45 2uzg s ILE 48 N -1.54 5.21 0.59 -3.70 1.01 -1.26 -4.89 121.20 116.63 2uzg s ILE 48 Ca -0.15 -0.25 -0.10 0.00 0.00 0.00 0.00 60.65 60.15 2uzg s ILE 48 Cb -0.09 -3.69 -0.04 0.00 0.01 0.00 0.00 42.46 38.65 2uzg s ILE 48 CO -0.01 -0.08 0.99 0.42 0.00 0.00 0.00 174.94 176.26 2uzg s THR 49 N -1.77 4.75 0.48 2.92 -4.23 -1.26 -4.91 115.64 111.61 2uzg s THR 49 Ca 0.39 0.76 0.14 0.00 -1.18 0.00 0.00 61.69 61.80 2uzg s THR 49 Cb -0.12 -3.87 0.23 0.00 1.34 0.00 0.00 72.50 70.09 2uzg s THR 49 CO 0.28 -1.09 2.07 0.11 -0.54 0.00 0.00 174.62 175.44 2uzg h LYS 50 N -0.21 0.06 -0.57 3.99 1.57 -1.98 -1.84 116.57 117.58 2uzg h LYS 50 Ca -0.45 -0.01 -0.06 0.00 -1.87 0.00 0.00 60.65 58.27 2uzg h LYS 50 Cb 1.19 -0.01 -0.02 0.00 0.08 0.00 0.00 32.23 33.47 2uzg h LYS 50 CO 0.62 0.12 0.13 0.93 -0.57 0.00 0.00 179.45 180.68 2uzg h GLU 51 N 0.06 0.92 -0.13 3.15 5.08 -2.00 0.06 114.58 121.73 2uzg h GLU 51 Ca 0.01 -0.23 -0.12 0.00 -1.00 0.00 0.00 59.36 58.02 2uzg h GLU 51 Cb 0.14 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.28 2uzg h GLU 51 CO 0.01 0.86 -0.39 -0.44 -1.00 0.00 0.00 179.01 178.05 2uzg h ASP 52 N 0.83 0.57 0.08 1.42 5.19 -1.81 -3.20 116.42 119.50 2uzg h ASP 52 Ca 0.18 -0.60 -0.06 0.00 -0.62 0.00 0.00 57.03 55.93 2uzg h ASP 52 Cb 0.36 -0.17 -0.01 0.00 0.18 0.00 0.00 39.33 39.70 2uzg h ASP 52 CO 0.00 1.07 -0.18 -0.07 -3.12 0.00 0.00 179.24 176.94 2uzg h LEU 53 N 0.10 0.20 -0.83 1.55 3.38 -1.30 -2.84 115.31 115.56 2uzg h LEU 53 Ca -0.01 -0.05 0.12 0.00 0.09 0.00 0.00 57.88 58.03 2uzg h LEU 53 Cb 1.01 -0.05 -0.08 0.00 0.09 0.00 0.00 40.66 41.63 2uzg h LEU 53 CO 0.08 0.40 0.46 -0.29 0.09 0.00 0.00 178.44 179.18 2uzg h ILE 54 N 0.20 0.83 -0.39 1.22 6.09 -0.97 0.88 117.51 125.37 2uzg h ILE 54 Ca 0.04 -0.25 -0.10 0.00 -1.37 0.00 0.00 64.86 63.18 2uzg h ILE 54 Cb 0.44 0.05 -0.01 0.00 0.47 0.00 0.00 36.82 37.78 2uzg h ILE 54 CO 0.03 0.13 -0.15 1.56 -3.07 0.00 0.00 178.15 176.65 2uzg h GLN 55 N 0.71 0.79 -0.10 2.19 4.20 -1.59 -2.54 115.11 118.78 2uzg h GLN 55 Ca 0.43 -0.33 -0.10 0.00 0.06 0.00 0.00 58.65 58.70 2uzg h GLN 55 Cb 0.49 -0.03 -0.01 0.00 0.30 0.00 0.00 27.48 28.23 2uzg h GLN 55 CO -0.30 0.95 -0.41 0.87 -0.67 0.00 0.00 178.83 179.27 2uzg h LYS 56 N 0.60 0.22 0.00 1.46 1.57 -1.23 -2.37 116.57 116.82 2uzg h LYS 56 Ca 0.09 -0.10 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 2uzg h LYS 56 Cb 0.69 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.99 2uzg h LYS 56 CO 0.05 0.60 0.00 -1.13 -0.57 0.00 0.00 179.45 178.40 2uzg n SER 57 N -4.03 0.35 0.30 0.86 3.41 0.30 -2.96 113.62 111.84 2uzg n SER 57 Ca -0.01 0.57 0.20 0.00 -0.26 0.00 0.00 58.87 59.37 2uzg n SER 57 Cb 0.47 -0.65 1.02 0.00 -0.26 0.00 0.00 64.21 64.80 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 -0.44 1.04 3.38 -1.01 -3.46 115.31 114.82 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 0.37 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.12 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 0.63 3.01 0.83 0.00 -1.16 -4.78 105.19 102.84 2uzg n GLY 59 Ca -0.02 -0.14 -0.13 0.00 0.00 0.00 0.00 46.02 45.73 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 -1.74 -0.01 0.14 2.61 -4.23 -1.25 -0.51 115.64 110.65 2uzg s THR 60 Ca 0.00 0.04 -0.20 0.00 -1.18 0.00 0.00 61.69 60.34 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 0.65 0.00 -0.54 0.00 0.00 174.62 174.75 2uzg h GLN 62 N 4.08 0.28 0.08 0.00 4.15 -0.62 -3.35 115.11 119.73 2uzg h GLN 62 Ca -0.48 -0.36 -0.00 0.00 0.77 0.00 0.00 58.65 58.58 2uzg h GLN 62 Cb 1.20 0.11 0.00 0.00 0.21 0.00 0.00 27.48 29.01 2uzg h GLN 62 CO 0.65 1.08 -0.04 -0.44 -1.93 0.00 0.00 178.83 178.15 2uzg h ASP 63 N 0.14 -0.09 -4.24 -0.69 5.19 -1.94 -3.48 116.42 111.31 2uzg h ASP 63 Ca -0.08 -0.51 -0.41 0.00 -0.62 0.00 0.00 57.03 55.40 2uzg h ASP 63 Cb 1.67 0.02 -0.09 0.00 0.18 0.00 0.00 39.33 41.12 2uzg h ASP 63 CO 0.16 0.57 -0.32 0.00 -3.12 0.00 0.00 179.24 176.53 2uzg s LYS 65 N -3.14 4.03 -0.27 0.00 1.02 -1.26 -3.83 119.74 116.28 2uzg s LYS 65 Ca 0.09 -0.07 -0.24 0.00 0.02 0.00 0.00 55.97 55.77 2uzg s LYS 65 Cb 0.00 -3.62 0.08 0.00 -0.52 0.00 0.00 37.83 33.77 2uzg s LYS 65 CO 0.06 -0.17 0.77 0.54 -0.92 0.00 0.00 175.35 175.63 2uzg s VAL 66 N 1.75 0.00 -0.33 3.17 0.11 -1.26 -4.96 120.40 118.88 2uzg s VAL 66 Ca 0.12 0.00 -0.21 0.00 -2.93 0.00 0.00 61.98 58.97 2uzg s VAL 66 Cb -0.15 -1.00 -0.00 0.00 -1.53 0.00 0.00 36.38 33.69 2uzg s VAL 66 CO 0.09 0.00 0.66 -1.10 -3.33 0.00 0.00 175.10 171.42 2uzg s GLN 67 N 0.51 3.82 0.00 1.54 -1.52 -1.26 -3.58 119.66 119.17 2uzg s GLN 67 Ca -0.01 0.24 0.00 0.00 -1.95 0.00 0.00 55.36 53.65 2uzg s GLN 67 Cb -0.05 -3.76 0.00 0.00 -0.22 0.00 0.00 33.01 28.98 2uzg s GLN 67 CO -0.03 -0.66 0.00 0.41 -0.25 0.00 0.00 175.29 174.76 2uzg n GLY 68 N 4.50 -1.74 0.22 3.09 0.00 0.34 -4.79 105.19 106.80 2uzg n GLY 68 Ca -0.00 -0.50 0.08 0.00 0.00 0.00 0.00 46.02 45.60 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 -5.12 1.61 0.13 -1.90 -3.49 132.00 123.22 2uzg h PRO 69 Ca 0.00 0.00 -0.34 0.00 -0.87 0.00 0.00 66.00 64.79 2uzg h PRO 69 Cb 0.00 0.00 -0.08 0.00 0.13 0.00 0.00 31.00 31.05 2uzg h PRO 69 CO 0.00 0.27 1.55 0.09 -0.23 0.00 0.00 178.00 179.68 2uzg n ASN 70 N -3.68 -0.05 -3.81 1.44 3.02 -1.26 -4.53 115.26 106.39 2uzg n ASN 70 Ca -0.01 -0.54 -0.12 0.00 -0.03 0.00 0.00 54.58 53.87 2uzg n ASN 70 Cb 0.38 -0.94 -0.10 0.00 -0.61 0.00 0.00 39.78 38.50 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 6.25 1.19 -0.04 3.41 1.43 -1.26 -4.83 118.68 124.81 2uzg s LEU 71 Ca 1.22 0.18 0.01 0.00 -1.03 0.00 0.00 54.13 54.52 2uzg s LEU 71 Cb -0.75 0.87 -0.03 0.00 0.03 0.00 0.00 46.19 46.31 2uzg s LEU 71 CO 0.43 -0.25 -0.05 0.26 0.23 0.00 0.00 176.35 176.97 2uzg s TRP 72 N -0.65 2.98 0.04 0.29 0.52 0.05 -1.45 118.94 120.72 2uzg s TRP 72 Ca -0.07 0.04 0.08 0.00 0.02 0.00 0.00 56.10 56.17 2uzg s TRP 72 Cb -0.04 -1.69 -0.03 0.00 -1.15 0.00 0.00 33.47 30.56 2uzg s TRP 72 CO 0.02 0.38 -0.23 0.00 0.02 0.00 0.00 176.95 177.14 2uzg s ALA 73 N -0.91 1.98 0.30 0.98 0.00 -0.38 0.08 121.76 123.80 2uzg s ALA 73 Ca 0.15 -1.14 -0.30 0.00 0.00 0.00 0.00 51.96 50.67 2uzg s ALA 73 Cb -0.11 -0.41 -0.12 0.00 0.00 0.00 0.00 23.12 22.48 2uzg s ALA 73 CO 0.04 0.46 1.42 0.00 0.00 0.00 0.00 175.76 177.69 2uzg h LEU 75 N 3.70 0.00 -9.55 0.00 5.85 -1.57 -3.44 115.31 110.30 2uzg h LEU 75 Ca -0.46 -0.14 -0.59 0.00 0.84 0.00 0.00 57.88 57.53 2uzg h LEU 75 Cb 1.26 0.00 0.09 0.00 0.37 0.00 0.00 40.66 42.38 2uzg h LEU 75 CO 0.71 0.07 0.50 1.21 -0.34 0.00 0.00 178.44 180.59 2uzg n GLU 76 N -2.30 1.83 -0.15 1.25 4.07 -1.26 -3.90 120.64 120.19 2uzg n GLU 76 Ca 0.03 0.65 -0.05 0.00 -0.06 0.00 0.00 57.16 57.73 2uzg n GLU 76 Cb 0.46 -2.25 0.14 0.00 -0.06 0.00 0.00 31.44 29.73 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 3.71 0.84 1.10 4.31 -1.24 -1.89 -2.89 115.58 119.52 2uzg h ASN 77 Ca -0.44 -0.19 -0.13 0.00 0.71 0.00 0.00 56.30 56.24 2uzg h ASN 77 Cb 1.29 -0.22 -0.02 0.00 0.73 0.00 0.00 38.32 40.10 2uzg h ASN 77 CO 0.72 0.87 -0.95 -0.09 -1.29 0.00 0.00 177.43 176.69 2uzg h ARG 78 N 0.83 0.00 -5.36 6.67 1.12 -1.97 -3.45 114.38 112.22 2uzg h ARG 78 Ca 0.17 0.00 -0.60 0.00 -1.11 0.00 0.00 59.98 58.44 2uzg h ARG 78 Cb 0.41 0.00 -0.11 0.00 -0.01 0.00 0.00 29.97 30.26 2uzg h ARG 78 CO 0.01 0.41 -0.42 0.00 -3.11 0.00 0.00 179.97 176.86 2uzg n SER 80 N 3.55 1.96 -4.78 0.00 2.88 -1.26 -4.12 113.62 111.86 2uzg n SER 80 Ca -0.14 -3.18 -0.31 0.00 -1.33 0.00 0.00 58.87 53.90 2uzg n SER 80 Cb 0.52 -0.61 -0.07 0.00 -0.75 0.00 0.00 64.21 63.30 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 -2.53 3.22 -0.24 0.66 2.02 -1.26 -4.96 117.35 114.26 2uzg s TYR 81 Ca 0.42 0.12 -0.06 0.00 -0.37 0.00 0.00 57.07 57.18 2uzg s TYR 81 Cb 0.29 -1.66 -0.02 0.00 -0.40 0.00 0.00 41.96 40.17 2uzg s TYR 81 CO -0.10 0.53 0.02 0.08 -1.57 0.00 0.00 175.55 174.51 2uzg s VAL 82 N -1.33 3.88 0.19 0.71 1.01 -1.26 -1.08 120.40 122.52 2uzg s VAL 82 Ca 0.27 -0.33 0.04 0.00 0.00 0.00 0.00 61.98 61.96 2uzg s VAL 82 Cb -0.12 -2.80 -0.05 0.00 0.00 0.00 0.00 36.38 33.41 2uzg s VAL 82 CO 0.20 0.37 -0.05 -0.83 0.00 0.00 0.00 175.10 174.78 2uzg s GLY 83 N 1.55 1.32 0.05 4.51 0.00 0.11 0.20 107.32 115.06 2uzg s GLY 83 Ca 0.06 -1.63 0.01 0.00 0.00 0.00 0.00 44.72 43.16 2uzg s GLY 83 CO 0.01 -1.63 0.12 0.00 0.00 0.00 0.00 173.10 171.59 2uzg n GLY 85 N 0.62 -0.45 0.31 0.00 0.00 -1.26 0.65 105.19 105.05 2uzg n GLY 85 Ca -0.09 -1.66 0.19 0.00 0.00 0.00 0.00 46.02 44.46 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 -1.90 0.43 114.58 119.53 2uzg h GLU 86 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 2uzg h GLU 86 Cb 0.00 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.38 2uzg h GLU 86 CO 0.00 0.00 0.00 1.03 -0.73 0.00 0.00 179.01 179.31 2uzg h SER 87 N 0.00 0.00 0.00 1.04 0.87 -1.98 -3.39 113.55 110.08 2uzg h SER 87 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 2uzg h SER 87 Cb 0.20 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.16 2uzg h SER 87 CO 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 176.83 176.30 2uzg n GLN 88 N -2.78 0.00 -0.33 2.24 1.13 -0.40 -5.01 117.38 112.24 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 0.10 0.00 0.00 0.00 0.11 0.00 0.00 30.24 30.45 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 -1.38 0.00 -3.55 5.09 0.31 -1.07 -5.00 118.33 112.74 2uzg n VAL 89 Ca 0.00 0.00 -0.26 0.00 -0.01 0.00 0.00 64.34 64.07 2uzg n VAL 89 Cb 0.00 0.58 0.01 0.00 -0.91 0.00 0.00 33.84 33.52 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 -4.32 -0.28 4.52 4.64 0.14 -4.82 116.55 116.42 2uzg n ASP 90 Ca 0.00 -0.54 0.10 0.00 -1.38 0.00 0.00 54.79 52.97 2uzg n ASP 90 Cb 0.61 -3.52 0.34 0.00 -1.04 0.00 0.00 41.12 37.52 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 -1.38 0.89 -0.70 -0.67 3.86 0.03 0.77 115.15 117.95 2uzg h HIS 91 Ca -0.50 0.03 0.03 0.00 -1.16 0.00 0.00 60.37 58.76 2uzg h HIS 91 Cb 1.33 -0.28 -0.04 0.00 1.06 0.00 0.00 27.41 29.48 2uzg h HIS 91 CO 0.62 0.36 0.46 0.77 0.86 0.00 0.00 177.93 181.00 2uzg h SER 92 N 0.78 0.75 0.14 2.45 0.02 -1.64 0.20 113.55 116.25 2uzg h SER 92 Ca 0.44 -0.01 -0.01 0.00 -0.84 0.00 0.00 61.79 61.37 2uzg h SER 92 Cb 0.60 -0.18 0.00 0.00 0.14 0.00 0.00 62.40 62.96 2uzg h SER 92 CO -0.20 0.53 -0.07 0.74 -1.14 0.00 0.00 176.83 176.69 2uzg h THR 93 N 0.88 1.01 -0.29 -2.27 2.02 -1.15 -0.76 112.91 112.35 2uzg h THR 93 Ca 0.27 -1.09 0.04 0.00 0.77 0.00 0.00 66.41 66.41 2uzg h THR 93 Cb 0.01 1.63 -0.04 0.00 -1.74 0.00 0.00 68.15 68.01 2uzg h THR 93 CO -0.07 0.24 0.03 0.40 0.37 0.00 0.00 175.52 176.49 2uzg h ILE 94 N -0.75 0.83 -0.82 3.11 2.04 -1.10 -0.87 117.51 119.95 2uzg h ILE 94 Ca -0.02 -0.04 0.01 0.00 1.00 0.00 0.00 64.86 65.81 2uzg h ILE 94 Cb 0.53 0.69 -0.04 0.00 -0.74 0.00 0.00 36.82 37.26 2uzg h ILE 94 CO 0.03 0.02 0.54 -0.74 0.00 0.00 0.00 178.15 178.01 2uzg h HIS 95 N 0.13 1.03 -0.66 1.37 2.76 -0.67 -0.89 115.15 118.21 2uzg h HIS 95 Ca 0.14 0.02 0.04 0.00 -2.20 0.00 0.00 60.37 58.37 2uzg h HIS 95 Cb 0.16 -0.35 -0.05 0.00 1.55 0.00 0.00 27.41 28.73 2uzg h HIS 95 CO -0.19 0.64 0.39 1.03 -1.30 0.00 0.00 177.93 178.51 2uzg h SER 96 N 1.10 0.63 -0.04 3.26 0.87 0.21 -1.78 113.55 117.80 2uzg h SER 96 Ca 0.30 0.01 -0.02 0.00 -1.23 0.00 0.00 61.79 60.85 2uzg h SER 96 Cb -0.11 -0.12 -0.00 0.00 -0.44 0.00 0.00 62.40 61.73 2uzg h SER 96 CO -0.07 0.43 -0.07 1.56 -0.53 0.00 0.00 176.83 178.15 2uzg h GLN 97 N 0.76 0.12 -0.57 2.24 7.50 -0.62 0.83 115.11 125.37 2uzg h GLN 97 Ca 0.27 -0.07 0.12 0.00 0.50 0.00 0.00 58.65 59.47 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 0.63 -0.02 0.93 -1.50 0.00 0.00 178.83 178.74 2uzg h GLU 98 N -0.37 0.09 -0.65 1.46 5.08 -0.98 -1.59 114.58 117.61 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 0.62 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.85 2uzg h GLU 98 CO 0.02 0.06 0.00 0.25 -1.00 0.00 0.00 179.01 178.34 2uzg n THR 99 N -5.28 1.01 -1.76 1.13 -2.24 -0.69 -4.94 114.28 101.52 2uzg n THR 99 Ca 0.07 -1.00 -0.21 0.00 -2.27 0.00 0.00 64.05 60.64 2uzg n THR 99 Cb 0.32 0.49 -0.07 0.00 -2.10 0.00 0.00 70.33 68.97 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 1.39 -1.50 -2.93 -0.78 4.76 0.62 -4.91 118.16 114.82 2uzg n LYS 100 Ca 0.22 1.19 -0.44 0.00 -2.87 0.00 0.00 58.31 56.41 2uzg n LYS 100 Cb 0.58 -5.63 -0.03 0.00 -1.84 0.00 0.00 35.03 28.11 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 -2.82 2.90 -0.56 2.13 3.76 0.26 -4.87 115.29 116.09 2uzg s HIS 101 Ca 0.00 -0.95 0.06 0.00 -0.15 0.00 0.00 55.06 54.02 2uzg s HIS 101 Cb 0.00 -4.24 0.39 0.00 1.11 0.00 0.00 32.58 29.84 2uzg s HIS 101 CO 0.00 -1.53 1.17 0.66 -0.85 0.00 0.00 174.74 174.19 2uzg n TYR 102 N 7.03 1.11 -4.05 1.40 4.01 -1.26 -4.05 117.16 121.36 2uzg n TYR 102 Ca 0.06 -0.50 -0.31 0.00 -0.16 0.00 0.00 57.90 56.99 2uzg n TYR 102 Cb 0.46 -0.36 -0.16 0.00 -0.31 0.00 0.00 39.34 38.98 2uzg n TYR 102 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 2uzg s LEU 103 N -1.40 2.31 -0.05 7.72 2.01 -1.26 -1.00 118.68 127.01 2uzg s LEU 103 Ca 0.27 -0.83 0.01 0.00 0.01 0.00 0.00 54.13 53.59 2uzg s LEU 103 Cb 0.21 -1.34 0.02 0.00 0.01 0.00 0.00 46.19 45.09 2uzg s LEU 103 CO 0.07 -0.10 -0.05 0.28 1.01 0.00 0.00 176.35 177.56 2uzg s THR 104 N 1.34 0.61 -0.15 5.49 -1.32 -0.81 -1.62 115.64 119.18 2uzg s THR 104 Ca 0.00 -0.16 0.02 0.00 -1.21 0.00 0.00 61.69 60.34 2uzg s THR 104 Cb -0.15 -0.62 0.01 0.00 -1.51 0.00 0.00 72.50 70.23 2uzg s THR 104 CO -0.10 0.24 -0.21 0.54 -2.21 0.00 0.00 174.62 172.89 2uzg s VAL 105 N 0.92 2.02 -0.10 5.08 0.11 -0.75 0.28 120.40 127.96 2uzg s VAL 105 Ca -0.11 -0.95 -0.30 0.00 -2.93 0.00 0.00 61.98 57.70 2uzg s VAL 105 Cb -0.14 -1.80 -0.02 0.00 -1.53 0.00 0.00 36.38 32.89 2uzg s VAL 105 CO 0.00 0.54 1.16 0.54 -3.33 0.00 0.00 175.10 174.01 2uzg s ASN 106 N 0.94 7.08 0.32 3.54 2.20 -0.37 -1.25 114.94 127.39 2uzg s ASN 106 Ca -0.04 1.70 0.26 0.00 -0.94 0.00 0.00 52.86 53.84 2uzg s ASN 106 Cb -0.15 -2.55 0.99 0.00 -2.00 0.00 0.00 41.25 37.54 2uzg s ASN 106 CO -0.04 -0.59 1.77 -0.07 -2.94 0.00 0.00 177.10 175.23 2uzg h LEU 107 N 8.48 0.00 0.10 3.54 3.38 -1.58 0.52 115.31 129.75 2uzg h LEU 107 Ca -0.31 0.00 -0.28 0.00 0.09 0.00 0.00 57.88 57.38 2uzg h LEU 107 Cb 1.14 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.88 2uzg h LEU 107 CO 0.90 0.00 -1.35 0.74 0.09 0.00 0.00 178.44 178.81 2uzg h THR 108 N 0.00 1.35 0.00 0.22 2.02 -1.80 -3.36 112.91 111.34 2uzg h THR 108 Ca 0.00 -2.99 0.00 0.00 0.77 0.00 0.00 66.41 64.19 2uzg h THR 108 Cb 0.50 2.83 0.00 0.00 -1.74 0.00 0.00 68.15 69.74 2uzg h THR 108 CO 0.00 0.85 -0.56 0.41 0.37 0.00 0.00 175.52 176.59 2uzg n THR 109 N -3.45 0.00 -2.47 3.16 -1.04 -1.17 -5.00 114.28 104.31 2uzg n THR 109 Ca -0.11 -0.27 -0.19 0.00 -2.04 0.00 0.00 64.05 61.44 2uzg n THR 109 Cb 1.02 0.92 -0.00 0.00 -1.82 0.00 0.00 70.33 70.45 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 -1.29 -2.00 -4.46 -4.42 4.77 0.18 -4.99 117.00 104.79 2uzg n LEU 110 Ca 0.01 -0.06 -0.33 0.00 -0.03 0.00 0.00 56.01 55.60 2uzg n LEU 110 Cb 0.16 -2.70 -0.13 0.00 -2.33 0.00 0.00 43.42 38.41 2uzg n LEU 110 CO 0.19 -0.12 -0.45 -0.13 -1.33 0.00 0.00 177.39 175.55 2uzg s ARG 111 N -5.06 2.63 0.08 3.23 0.52 -1.19 -4.93 118.95 114.23 2uzg s ARG 111 Ca 0.05 -0.69 -0.01 0.00 -0.52 0.00 0.00 55.73 54.56 2uzg s ARG 111 Cb -0.02 -2.41 -0.04 0.00 0.52 0.00 0.00 34.95 32.99 2uzg s ARG 111 CO 0.06 0.57 0.24 0.08 0.02 0.00 0.00 175.30 176.27 2uzg s VAL 112 N -0.58 5.35 -0.01 3.52 1.01 -1.18 -1.23 120.40 127.27 2uzg s VAL 112 Ca 0.08 -0.33 0.04 0.00 0.00 0.00 0.00 61.98 61.78 2uzg s VAL 112 Cb -0.11 -3.63 -0.01 0.00 0.00 0.00 0.00 36.38 32.63 2uzg s VAL 112 CO 0.01 0.12 -0.13 0.86 0.00 0.00 0.00 175.10 175.95 2uzg s TRP 113 N -1.54 1.22 -0.34 5.22 -0.11 0.14 -1.63 118.94 121.91 2uzg s TRP 113 Ca 0.36 -0.25 -0.05 0.00 1.22 0.00 0.00 56.10 57.38 2uzg s TRP 113 Cb -0.13 -0.80 0.05 0.00 -1.50 0.00 0.00 33.47 31.09 2uzg s TRP 113 CO 0.27 -0.04 0.10 0.00 -4.62 0.00 0.00 176.95 172.66 2uzg h TYR 115 N 8.17 0.98 0.26 0.00 0.05 -1.32 0.99 116.97 126.09 2uzg h TYR 115 Ca -0.22 -0.28 -0.01 0.00 0.05 0.00 0.00 58.73 58.27 2uzg h TYR 115 Cb 1.08 -0.21 0.00 0.00 1.01 0.00 0.00 36.73 38.60 2uzg h TYR 115 CO 0.60 1.06 -0.13 0.00 -1.05 0.00 0.00 178.16 178.63 2uzg h ALA 116 N 0.76 -0.35 -0.00 3.88 0.00 -1.94 -2.65 119.26 118.95 2uzg h ALA 116 Ca 0.07 -0.08 -0.11 0.00 0.00 0.00 0.00 54.91 54.79 2uzg h ALA 116 Cb 0.86 0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.78 2uzg h ALA 116 CO 0.07 -0.70 -0.52 0.00 0.00 0.00 0.00 179.25 178.11 2uzg n SER 118 N -3.92 -2.09 -2.95 0.00 2.88 0.26 -5.05 113.62 102.74 2uzg n SER 118 Ca -0.01 -0.09 -0.01 0.00 -1.33 0.00 0.00 58.87 57.42 2uzg n SER 118 Cb 0.53 -1.19 0.02 0.00 -0.75 0.00 0.00 64.21 62.82 2uzg n SER 118 CO 0.00 0.00 0.00 2.29 -1.23 0.00 0.00 175.04 176.10 2uzg n LYS 119 N -1.50 0.42 -3.54 -1.46 -0.00 -0.71 -5.04 118.16 106.33 2uzg n LYS 119 Ca -0.04 -1.03 -0.35 0.00 -0.00 0.00 0.00 58.31 56.89 2uzg n LYS 119 Cb 0.52 1.45 -0.06 0.00 -0.00 0.00 0.00 35.03 36.94 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 -2.03 3.80 0.10 -1.58 2.12 -1.26 -0.39 118.70 119.47 2uzg s GLU 120 Ca 0.20 0.24 0.01 0.00 0.36 0.00 0.00 54.97 55.78 2uzg s GLU 120 Cb -0.02 -3.00 -0.04 0.00 0.26 0.00 0.00 34.13 31.33 2uzg s GLU 120 CO 0.03 0.55 -0.04 0.14 -0.54 0.00 0.00 175.26 175.41 2uzg s VAL 121 N -1.39 0.55 -0.10 3.70 -7.23 -0.65 -4.85 120.40 110.44 2uzg s VAL 121 Ca 0.33 -1.92 0.03 0.00 -1.81 0.00 0.00 61.98 58.61 2uzg s VAL 121 Cb -0.14 -1.76 0.01 0.00 0.56 0.00 0.00 36.38 35.05 2uzg s VAL 121 CO 0.18 -0.79 -0.19 0.72 -0.31 0.00 0.00 175.10 174.71 2uzg s PHE 122 N -3.72 2.15 -0.17 2.82 -0.71 -1.26 -3.13 117.98 113.95 2uzg s PHE 122 Ca 0.14 -0.91 -0.20 0.00 -1.04 0.00 0.00 56.93 54.91 2uzg s PHE 122 Cb 0.06 -1.49 -0.03 0.00 -1.21 0.00 0.00 43.02 40.35 2uzg s PHE 122 CO -0.04 -0.41 0.59 -0.51 -1.34 0.00 0.00 175.22 173.51 2uzg s LEU 123 N 0.61 4.19 0.30 -1.99 2.01 -1.26 -5.06 118.68 117.48 2uzg s LEU 123 Ca -0.14 0.84 0.03 0.00 0.01 0.00 0.00 54.13 54.87 2uzg s LEU 123 Cb -0.16 -2.84 -0.06 0.00 0.01 0.00 0.00 46.19 43.14 2uzg s LEU 123 CO 0.04 -0.19 0.06 -1.81 1.01 0.00 0.00 176.35 175.47 2uzg s ASP 124 N 1.05 2.00 -0.07 2.29 -0.00 -1.26 -5.07 116.67 115.60 2uzg s ASP 124 Ca 0.28 -1.37 0.02 0.00 -0.00 0.00 0.00 52.55 51.49 2uzg s ASP 124 Cb -0.16 -0.01 -0.06 0.00 -0.00 0.00 0.00 42.92 42.70 2uzg s ASP 124 CO 0.11 -0.63 -0.04 -1.14 -0.00 0.00 0.00 175.17 173.47 2uzg n ARG 125 N -0.60 1.14 -1.71 8.23 0.63 -1.26 -4.82 116.66 118.27 2uzg n ARG 125 Ca -0.02 0.03 0.01 0.00 -0.92 0.00 0.00 57.85 56.95 2uzg n ARG 125 Cb 0.66 -1.15 0.02 0.00 0.45 0.00 0.00 32.46 32.44 2uzg n ARG 125 CO 0.00 0.00 0.00 1.17 -2.51 0.00 0.00 177.63 176.29 2uzg n LYS 126 N -2.55 0.38 -4.32 -0.14 3.00 -1.26 -5.11 118.16 108.16 2uzg n LYS 126 Ca -0.12 -2.05 -0.17 0.00 -0.00 0.00 0.00 58.31 55.97 2uzg n LYS 126 Cb 0.66 -0.17 -0.10 0.00 0.00 0.00 0.00 35.03 35.41 2uzg n LYS 126 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.40 176.89 2uzg s LEU 127 N -0.88 2.37 0.00 3.14 1.43 -1.26 -5.06 118.68 118.42 2uzg s LEU 127 Ca 0.25 -1.13 0.00 0.00 -1.03 0.00 0.00 54.13 52.22 2uzg s LEU 127 Cb 0.31 -0.39 0.00 0.00 0.03 0.00 0.00 46.19 46.14 2uzg s LEU 127 CO -0.12 -0.40 0.00 0.61 0.23 0.00 0.00 176.35 176.68 2uzg n GLY 128 N -0.37 -2.19 0.11 -3.19 0.00 -1.26 -4.84 105.19 93.44 2uzg n GLY 128 Ca -0.07 0.72 -0.11 0.00 0.00 0.00 0.00 46.02 46.56 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 -0.56 1.41 -0.11 2.61 -2.24 -1.26 -5.17 114.28 108.97 2uzg n THR 129 Ca 0.00 -0.81 0.00 0.00 -2.27 0.00 0.00 64.05 60.97 2uzg n THR 129 Cb 0.00 -0.64 0.00 0.00 -2.10 0.00 0.00 70.33 67.59 2uzg n THR 129 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50