#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 5.68 0.10 0.55 0.02 -1.26 -5.04 114.94 114.99 2uzg s ASN 37 Ca 0.00 -3.31 -0.03 0.00 -1.02 0.00 0.00 52.86 48.50 2uzg s ASN 37 Cb 0.00 -1.89 -0.03 0.00 0.02 0.00 0.00 41.25 39.34 2uzg s ASN 37 CO 0.00 -0.28 0.07 -2.28 0.02 0.00 0.00 177.10 174.63 2uzg s HIS 38 N -0.73 0.60 0.05 2.20 2.46 -1.26 -5.15 115.29 113.46 2uzg s HIS 38 Ca 0.22 -1.04 -0.27 0.00 0.47 0.00 0.00 55.06 54.44 2uzg s HIS 38 Cb -0.13 -0.35 -0.05 0.00 -0.13 0.00 0.00 32.58 31.92 2uzg s HIS 38 CO -0.08 -0.50 0.85 0.00 -2.47 0.00 0.00 174.74 172.54 2uzg h PRO 40 N 5.89 0.70 -0.36 0.00 0.13 -2.01 -1.25 132.00 135.11 2uzg h PRO 40 Ca -0.43 -0.39 0.07 0.00 -0.87 0.00 0.00 66.00 64.38 2uzg h PRO 40 Cb 1.21 0.02 -0.09 0.00 0.13 0.00 0.00 31.00 32.27 2uzg h PRO 40 CO 0.72 1.00 -0.36 0.45 -0.23 0.00 0.00 178.00 179.58 2uzg h HIS 41 N 0.44 -1.02 -0.01 1.56 3.86 -1.98 -1.30 115.15 116.71 2uzg h HIS 41 Ca 0.04 0.06 -0.23 0.00 -1.16 0.00 0.00 60.37 59.08 2uzg h HIS 41 Cb 0.90 0.50 0.00 0.00 1.06 0.00 0.00 27.41 29.87 2uzg h HIS 41 CO 0.07 -0.41 -0.93 1.37 0.86 0.00 0.00 177.93 178.90 2uzg h LEU 42 N -0.30 0.57 -2.21 2.43 8.10 -1.92 -3.16 115.31 118.81 2uzg h LEU 42 Ca 0.15 -0.45 0.03 0.00 0.11 0.00 0.00 57.88 57.72 2uzg h LEU 42 Cb 0.56 -0.17 -0.00 0.00 -0.44 0.00 0.00 40.66 40.60 2uzg h LEU 42 CO -0.52 1.24 0.27 0.44 -4.11 0.00 0.00 178.44 175.76 2uzg h ASP 43 N 0.25 0.00 0.15 0.17 5.19 -0.48 -1.36 116.42 120.34 2uzg h ASP 43 Ca -0.08 0.00 -0.27 0.00 -0.62 0.00 0.00 57.03 56.06 2uzg h ASP 43 Cb 1.56 0.00 0.01 0.00 0.18 0.00 0.00 39.33 41.08 2uzg h ASP 43 CO 0.16 0.00 -1.28 -1.28 -3.12 0.00 0.00 179.24 173.72 2uzg h SER 44 N 0.00 0.50 -2.61 6.45 0.87 -1.23 -3.47 113.55 114.06 2uzg h SER 44 Ca 0.05 -0.90 -0.26 0.00 -1.23 0.00 0.00 61.79 59.45 2uzg h SER 44 Cb 0.58 -0.16 0.13 0.00 -0.44 0.00 0.00 62.40 62.51 2uzg h SER 44 CO -0.00 1.59 0.03 1.33 -0.53 0.00 0.00 176.83 179.24 2uzg n VAL 45 N -3.92 0.00 0.00 2.23 0.24 -0.51 -4.99 118.33 111.38 2uzg n VAL 45 Ca -0.21 -0.24 0.00 0.00 -2.04 0.00 0.00 64.34 61.86 2uzg n VAL 45 Cb 0.93 -1.02 0.00 0.00 -1.47 0.00 0.00 33.84 32.28 2uzg n VAL 45 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2uzg n GLY 46 N -2.73 4.30 3.05 7.63 0.00 -1.26 -4.88 105.19 111.30 2uzg n GLY 46 Ca 0.10 -0.93 -0.08 0.00 0.00 0.00 0.00 46.02 45.10 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 4.60 0.47 0.09 1.61 2.12 -1.26 -4.67 118.70 121.66 2uzg s GLU 47 Ca 0.00 -0.88 0.03 0.00 0.36 0.00 0.00 54.97 54.49 2uzg s GLU 47 Cb 0.00 0.17 -0.04 0.00 0.26 0.00 0.00 34.13 34.52 2uzg s GLU 47 CO 0.00 -0.09 0.09 0.42 -0.54 0.00 0.00 175.26 175.14 2uzg s ILE 48 N -2.62 4.57 0.67 -3.70 1.01 -1.26 -4.83 121.20 115.03 2uzg s ILE 48 Ca -0.05 -0.78 -0.11 0.00 0.00 0.00 0.00 60.65 59.71 2uzg s ILE 48 Cb -0.01 -3.22 -0.01 0.00 0.01 0.00 0.00 42.46 39.23 2uzg s ILE 48 CO -0.05 0.10 1.05 0.42 0.00 0.00 0.00 174.94 176.46 2uzg s THR 49 N -1.43 4.25 0.42 2.92 -4.23 -1.26 -4.89 115.64 111.42 2uzg s THR 49 Ca 0.30 0.73 0.10 0.00 -1.18 0.00 0.00 61.69 61.63 2uzg s THR 49 Cb -0.12 -3.56 0.22 0.00 1.34 0.00 0.00 72.50 70.39 2uzg s THR 49 CO 0.22 -0.95 2.02 0.07 -0.54 0.00 0.00 174.62 175.44 2uzg h LYS 50 N -0.59 0.31 -0.65 3.99 2.10 -1.99 -1.88 116.57 117.87 2uzg h LYS 50 Ca -0.44 -0.04 -0.01 0.00 -2.00 0.00 0.00 60.65 58.16 2uzg h LYS 50 Cb 1.20 -0.06 -0.03 0.00 -0.90 0.00 0.00 32.23 32.44 2uzg h LYS 50 CO 0.59 0.29 0.35 1.49 -2.00 0.00 0.00 179.45 180.17 2uzg h GLU 51 N 0.31 0.91 -0.13 0.07 4.57 -2.00 0.13 114.58 118.45 2uzg h GLU 51 Ca 0.08 -0.11 -0.13 0.00 -1.18 0.00 0.00 59.36 58.02 2uzg h GLU 51 Cb 0.12 -0.18 0.00 0.00 -0.16 0.00 0.00 28.75 28.54 2uzg h GLU 51 CO -0.00 0.69 -0.42 -0.44 -1.18 0.00 0.00 179.01 177.66 2uzg h ASP 52 N 0.89 0.59 0.11 1.04 5.19 -1.81 -3.21 116.42 119.21 2uzg h ASP 52 Ca 0.23 -0.60 -0.07 0.00 -0.62 0.00 0.00 57.03 55.96 2uzg h ASP 52 Cb 0.05 -0.17 -0.01 0.00 0.18 0.00 0.00 39.33 39.38 2uzg h ASP 52 CO -0.04 1.09 -0.23 -0.07 -3.12 0.00 0.00 179.24 176.88 2uzg h LEU 53 N 0.12 0.21 -0.87 1.55 3.38 -1.23 -2.88 115.31 115.59 2uzg h LEU 53 Ca -0.02 -0.06 0.09 0.00 0.09 0.00 0.00 57.88 57.98 2uzg h LEU 53 Cb 1.04 -0.06 -0.07 0.00 0.09 0.00 0.00 40.66 41.66 2uzg h LEU 53 CO 0.09 0.46 0.52 -0.29 0.09 0.00 0.00 178.44 179.30 2uzg h ILE 54 N 0.20 0.95 -0.42 1.22 2.10 -0.74 0.58 117.51 121.41 2uzg h ILE 54 Ca 0.03 -0.30 -0.08 0.00 1.08 0.00 0.00 64.86 65.59 2uzg h ILE 54 Cb 0.52 -0.01 -0.01 0.00 -1.09 0.00 0.00 36.82 36.23 2uzg h ILE 54 CO 0.04 0.16 -0.06 1.56 -1.08 0.00 0.00 178.15 178.77 2uzg h GLN 55 N 0.88 0.78 -0.10 2.19 4.20 -1.58 -2.17 115.11 119.31 2uzg h GLN 55 Ca 0.41 -0.28 -0.11 0.00 0.06 0.00 0.00 58.65 58.73 2uzg h GLN 55 Cb 0.33 -0.05 -0.01 0.00 0.30 0.00 0.00 27.48 28.04 2uzg h GLN 55 CO -0.23 0.88 -0.42 0.87 -0.67 0.00 0.00 178.83 179.27 2uzg h LYS 56 N 0.60 0.23 0.00 1.46 1.57 -1.29 -2.44 116.57 116.69 2uzg h LYS 56 Ca 0.11 -0.11 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2uzg h LYS 56 Cb 0.57 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.88 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 -4.02 0.42 0.30 0.86 3.41 0.20 -3.09 113.62 111.69 2uzg n SER 57 Ca -0.02 0.57 0.20 0.00 -0.26 0.00 0.00 58.87 59.37 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 -0.57 1.04 3.38 -0.88 -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 0.46 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.21 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 -0.86 0.69 3.01 0.83 0.00 -1.18 -4.76 105.19 102.93 2uzg n GLY 59 Ca -0.02 -0.20 -0.13 0.00 0.00 0.00 0.00 46.02 45.67 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 -2.00 -0.01 0.12 2.61 -4.23 -1.26 -1.10 115.64 109.77 2uzg s THR 60 Ca 0.00 0.02 -0.22 0.00 -1.18 0.00 0.00 61.69 60.31 2uzg s THR 60 Cb 0.00 -0.22 -0.07 0.00 1.34 0.00 0.00 72.50 73.55 2uzg s THR 60 CO 0.00 0.01 0.67 0.00 -0.54 0.00 0.00 174.62 174.76 2uzg h GLN 62 N 4.44 0.00 0.00 0.00 4.15 -1.58 -3.35 115.11 118.77 2uzg h GLN 62 Ca -0.48 0.00 -0.08 0.00 0.77 0.00 0.00 58.65 58.86 2uzg h GLN 62 Cb 1.21 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 28.89 2uzg h GLN 62 CO 0.65 0.85 -0.49 -0.44 -1.93 0.00 0.00 178.83 177.47 2uzg h ASP 63 N 0.00 0.00 -3.88 -0.69 5.19 -1.94 -3.49 116.42 111.61 2uzg h ASP 63 Ca -0.01 -0.53 -0.17 0.00 -0.62 0.00 0.00 57.03 55.71 2uzg h ASP 63 Cb 1.51 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 40.99 2uzg h ASP 63 CO 0.11 1.04 -0.10 0.00 -3.12 0.00 0.00 179.24 177.18 2uzg s LYS 65 N -2.56 2.01 0.37 0.00 -2.85 -1.26 -3.91 119.74 111.54 2uzg s LYS 65 Ca 0.05 -1.61 0.06 0.00 -1.00 0.00 0.00 55.97 53.47 2uzg s LYS 65 Cb -0.00 -3.26 -0.02 0.00 -2.06 0.00 0.00 37.83 32.49 2uzg s LYS 65 CO 0.03 -0.83 0.23 1.33 0.10 0.00 0.00 175.35 176.20 2uzg n VAL 66 N 4.48 0.00 -4.02 1.79 0.24 -1.26 -4.99 118.33 114.57 2uzg n VAL 66 Ca -0.05 -2.43 -0.30 0.00 -2.04 0.00 0.00 64.34 59.52 2uzg n VAL 66 Cb 0.42 1.07 -0.16 0.00 -1.47 0.00 0.00 33.84 33.70 2uzg n VAL 66 CO 0.00 0.00 0.00 -1.10 -2.14 0.00 0.00 176.83 173.59 2uzg s GLN 67 N -3.45 2.29 0.00 7.34 -1.52 -1.26 -4.40 119.66 118.66 2uzg s GLN 67 Ca 0.32 -0.62 0.00 0.00 -1.95 0.00 0.00 55.36 53.11 2uzg s GLN 67 Cb 0.02 -2.19 0.00 0.00 -0.22 0.00 0.00 33.01 30.62 2uzg s GLN 67 CO 0.23 -0.27 0.00 0.41 -0.25 0.00 0.00 175.29 175.41 2uzg n GLY 68 N 4.75 -2.72 0.26 3.09 0.00 -0.26 -4.80 105.19 105.52 2uzg n GLY 68 Ca -0.17 -0.83 -0.06 0.00 0.00 0.00 0.00 46.02 44.96 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 0.69 -6.02 1.61 0.11 -1.91 -3.50 132.00 122.99 2uzg h PRO 69 Ca 0.00 -0.25 -0.76 0.00 0.11 0.00 0.00 66.00 65.10 2uzg h PRO 69 Cb 0.00 -0.05 -0.02 0.00 0.11 0.00 0.00 31.00 31.04 2uzg h PRO 69 CO 0.00 0.83 1.19 0.09 -0.21 0.00 0.00 178.00 179.89 2uzg n ASN 70 N -4.14 1.37 -3.59 -2.05 5.03 -1.26 -4.54 115.26 106.08 2uzg n ASN 70 Ca 0.01 0.75 -0.16 0.00 0.87 0.00 0.00 54.58 56.05 2uzg n ASN 70 Cb 0.39 -1.01 -0.07 0.00 -1.02 0.00 0.00 39.78 38.07 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 5.50 -0.58 0.01 3.41 1.43 -1.26 -4.84 118.68 122.35 2uzg s LEU 71 Ca 1.12 1.00 0.06 0.00 -1.03 0.00 0.00 54.13 55.28 2uzg s LEU 71 Cb -1.29 2.40 -0.03 0.00 0.03 0.00 0.00 46.19 47.29 2uzg s LEU 71 CO 0.65 -0.43 -0.17 0.26 0.23 0.00 0.00 176.35 176.89 2uzg s TRP 72 N -0.47 2.61 0.05 0.29 0.52 -0.33 -1.27 118.94 120.34 2uzg s TRP 72 Ca -0.06 -0.22 0.07 0.00 0.02 0.00 0.00 56.10 55.91 2uzg s TRP 72 Cb -0.02 -1.52 -0.03 0.00 -1.15 0.00 0.00 33.47 30.75 2uzg s TRP 72 CO 0.06 0.23 -0.21 0.00 0.02 0.00 0.00 176.95 177.04 2uzg s ALA 73 N -0.86 1.76 0.22 0.98 0.00 -0.75 -0.60 121.76 122.51 2uzg s ALA 73 Ca 0.14 -1.08 -0.32 0.00 0.00 0.00 0.00 51.96 50.70 2uzg s ALA 73 Cb -0.11 -0.33 -0.13 0.00 0.00 0.00 0.00 23.12 22.55 2uzg s ALA 73 CO 0.04 0.39 1.59 0.00 0.00 0.00 0.00 175.76 177.78 2uzg h LEU 75 N 5.64 0.00 -9.24 0.00 5.85 -1.63 -3.44 115.31 112.48 2uzg h LEU 75 Ca -0.45 0.00 -0.64 0.00 0.84 0.00 0.00 57.88 57.63 2uzg h LEU 75 Cb 1.24 0.00 0.02 0.00 0.37 0.00 0.00 40.66 42.28 2uzg h LEU 75 CO 0.87 0.37 1.06 1.21 -0.34 0.00 0.00 178.44 181.60 2uzg n GLU 76 N -3.24 1.96 -0.17 1.25 4.07 -1.26 -4.05 120.64 119.19 2uzg n GLU 76 Ca 0.02 0.72 0.08 0.00 -0.06 0.00 0.00 57.16 57.91 2uzg n GLU 76 Cb 0.64 -2.53 0.38 0.00 -0.06 0.00 0.00 31.44 29.87 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 8.81 0.62 1.77 4.31 -1.24 -1.88 -0.13 115.58 127.84 2uzg h ASN 77 Ca -0.48 0.01 -0.02 0.00 0.71 0.00 0.00 56.30 56.51 2uzg h ASN 77 Cb 1.28 -0.12 -0.00 0.00 0.73 0.00 0.00 38.32 40.20 2uzg h ASN 77 CO 0.95 0.39 -0.12 0.03 -1.29 0.00 0.00 177.43 177.39 2uzg h ARG 78 N 0.69 0.00 -5.04 6.67 2.47 -1.96 -3.43 114.38 113.78 2uzg h ARG 78 Ca 0.32 0.00 -0.64 0.00 -1.26 0.00 0.00 59.98 58.40 2uzg h ARG 78 Cb 0.34 0.00 -0.20 0.00 -1.65 0.00 0.00 29.97 28.46 2uzg h ARG 78 CO -0.11 0.12 -0.59 0.00 0.56 0.00 0.00 179.97 179.94 2uzg n SER 80 N 4.55 3.25 -4.30 0.00 2.88 -1.26 -4.36 113.62 114.38 2uzg n SER 80 Ca -0.16 -3.31 -0.29 0.00 -1.33 0.00 0.00 58.87 53.78 2uzg n SER 80 Cb 0.52 -0.70 -0.15 0.00 -0.75 0.00 0.00 64.21 63.13 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 -2.02 2.18 -0.24 0.66 2.02 -1.26 -5.03 117.35 113.66 2uzg s TYR 81 Ca 0.34 -0.41 -0.07 0.00 -0.37 0.00 0.00 57.07 56.57 2uzg s TYR 81 Cb 0.08 -1.34 -0.03 0.00 -0.40 0.00 0.00 41.96 40.27 2uzg s TYR 81 CO -0.07 0.06 0.06 0.08 -1.57 0.00 0.00 175.55 174.11 2uzg s VAL 82 N -0.71 4.28 0.26 0.71 1.01 -1.26 -1.83 120.40 122.86 2uzg s VAL 82 Ca 0.10 -0.18 0.03 0.00 0.00 0.00 0.00 61.98 61.93 2uzg s VAL 82 Cb -0.10 -3.00 -0.05 0.00 0.00 0.00 0.00 36.38 33.23 2uzg s VAL 82 CO 0.01 0.35 0.03 -0.83 0.00 0.00 0.00 175.10 174.66 2uzg s GLY 83 N 1.54 1.73 0.05 4.51 0.00 0.23 -1.29 107.32 114.09 2uzg s GLY 83 Ca 0.06 -1.87 0.03 0.00 0.00 0.00 0.00 44.72 42.94 2uzg s GLY 83 CO 0.03 -1.70 0.01 0.00 0.00 0.00 0.00 173.10 171.45 2uzg n GLY 85 N 0.94 -1.25 0.34 0.00 0.00 -1.26 0.64 105.19 104.61 2uzg n GLY 85 Ca -0.12 -1.64 0.18 0.00 0.00 0.00 0.00 46.02 44.44 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 4.11 -1.89 0.45 114.58 118.86 2uzg h GLU 86 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 2uzg h GLU 86 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 2uzg h GLU 86 CO 0.00 0.00 0.00 1.03 0.07 0.00 0.00 179.01 180.11 2uzg h SER 87 N 0.00 0.00 0.00 3.06 0.87 -1.99 -3.38 113.55 112.10 2uzg h SER 87 Ca 0.02 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.58 2uzg h SER 87 Cb 0.43 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.39 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 -2.80 0.00 -0.32 2.24 1.13 -0.06 -5.00 117.38 112.56 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 -2.41 0.00 -3.01 5.09 0.31 -0.89 -5.00 118.33 112.42 2uzg n VAL 89 Ca 0.00 0.00 -0.17 0.00 -0.01 0.00 0.00 64.34 64.16 2uzg n VAL 89 Cb 0.00 0.45 -0.01 0.00 -0.91 0.00 0.00 33.84 33.38 2uzg n VAL 89 CO 0.00 0.00 0.00 0.47 -1.32 0.00 0.00 176.83 175.98 2uzg n ASP 90 N 0.00 -3.02 -0.16 4.52 8.00 0.14 -4.78 116.55 121.25 2uzg n ASP 90 Ca 0.00 -0.10 0.15 0.00 0.71 0.00 0.00 54.79 55.56 2uzg n ASP 90 Cb 0.59 -2.57 0.50 0.00 -0.02 0.00 0.00 41.12 39.62 2uzg n ASP 90 CO 0.00 0.00 0.00 0.45 -0.39 0.00 0.00 177.20 177.26 2uzg h HIS 91 N -0.48 0.48 -0.96 1.24 3.86 0.02 0.92 115.15 120.24 2uzg h HIS 91 Ca -0.31 0.01 0.01 0.00 -1.16 0.00 0.00 60.37 58.92 2uzg h HIS 91 Cb 1.21 -0.15 -0.05 0.00 1.06 0.00 0.00 27.41 29.48 2uzg h HIS 91 CO 0.73 0.19 0.62 0.77 0.86 0.00 0.00 177.93 181.10 2uzg h SER 92 N 0.42 1.12 -0.05 2.45 0.02 -1.65 0.23 113.55 116.09 2uzg h SER 92 Ca 0.37 -0.04 -0.02 0.00 -0.84 0.00 0.00 61.79 61.26 2uzg h SER 92 Cb 0.84 -0.28 -0.00 0.00 0.14 0.00 0.00 62.40 63.10 2uzg h SER 92 CO -0.12 0.82 -0.05 0.74 -1.14 0.00 0.00 176.83 177.09 2uzg h THR 93 N 1.31 1.38 -0.14 -2.27 2.02 -1.12 -0.93 112.91 113.16 2uzg h THR 93 Ca 0.35 -1.22 0.02 0.00 0.77 0.00 0.00 66.41 66.33 2uzg h THR 93 Cb -0.13 2.09 -0.02 0.00 -1.74 0.00 0.00 68.15 68.36 2uzg h THR 93 CO -0.07 0.33 0.02 0.40 0.37 0.00 0.00 175.52 176.57 2uzg h ILE 94 N -0.34 0.93 -0.74 3.11 2.04 -1.10 -1.32 117.51 120.08 2uzg h ILE 94 Ca 0.01 -0.03 0.03 0.00 1.00 0.00 0.00 64.86 65.87 2uzg h ILE 94 Cb 0.56 0.85 -0.04 0.00 -0.74 0.00 0.00 36.82 37.44 2uzg h ILE 94 CO 0.01 0.01 0.49 -0.74 0.00 0.00 0.00 178.15 177.93 2uzg h HIS 95 N 0.08 0.88 -0.75 1.37 2.76 -0.58 -1.61 115.15 117.30 2uzg h HIS 95 Ca 0.06 0.02 -0.01 0.00 -2.20 0.00 0.00 60.37 58.24 2uzg h HIS 95 Cb 0.06 -0.30 -0.04 0.00 1.55 0.00 0.00 27.41 28.69 2uzg h HIS 95 CO -0.13 0.52 0.42 1.03 -1.30 0.00 0.00 177.93 178.47 2uzg h SER 96 N 0.92 0.93 -0.01 3.26 0.87 -0.19 -1.97 113.55 117.35 2uzg h SER 96 Ca 0.29 -0.09 -0.00 0.00 -1.23 0.00 0.00 61.79 60.76 2uzg h SER 96 Cb 0.03 -0.24 -0.00 0.00 -0.44 0.00 0.00 62.40 61.76 2uzg h SER 96 CO -0.08 0.75 -0.01 1.56 -0.53 0.00 0.00 176.83 178.52 2uzg h GLN 97 N 1.03 0.02 -0.38 2.24 7.50 -0.48 0.78 115.11 125.82 2uzg h GLN 97 Ca 0.26 -0.01 0.06 0.00 0.50 0.00 0.00 58.65 59.46 2uzg h GLN 97 Cb 0.02 0.00 -0.05 0.00 0.05 0.00 0.00 27.48 27.50 2uzg h GLN 97 CO -0.04 0.56 0.07 1.05 -1.50 0.00 0.00 178.83 178.97 2uzg h GLU 98 N -0.51 0.19 -0.61 1.46 4.11 -1.28 -1.84 114.58 116.10 2uzg h GLU 98 Ca 0.00 -0.01 0.00 0.00 0.07 0.00 0.00 59.36 59.42 2uzg h GLU 98 Cb 0.56 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.76 2uzg h GLU 98 CO 0.00 0.13 0.00 0.25 0.07 0.00 0.00 179.01 179.46 2uzg n THR 99 N -5.10 0.81 -1.69 -1.06 -2.24 -0.75 -4.92 114.28 99.33 2uzg n THR 99 Ca 0.02 -0.83 -0.16 0.00 -2.27 0.00 0.00 64.05 60.81 2uzg n THR 99 Cb 0.17 0.47 -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 1.36 -1.50 -2.84 -0.78 4.76 0.11 -4.89 118.16 114.39 2uzg n LYS 100 Ca 0.21 0.92 -0.43 0.00 -2.87 0.00 0.00 58.31 56.14 2uzg n LYS 100 Cb 0.54 -5.30 -0.03 0.00 -1.84 0.00 0.00 35.03 28.40 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 -2.48 2.78 -0.33 2.13 3.76 0.23 -4.87 115.29 116.51 2uzg s HIS 101 Ca 0.00 -0.80 0.03 0.00 -0.15 0.00 0.00 55.06 54.14 2uzg s HIS 101 Cb 0.00 -4.34 0.32 0.00 1.11 0.00 0.00 32.58 29.67 2uzg s HIS 101 CO 0.00 -1.65 1.32 0.66 -0.85 0.00 0.00 174.74 174.22 2uzg n TYR 102 N 7.54 1.26 -3.92 1.40 4.02 -1.26 -4.11 117.16 122.09 2uzg n TYR 102 Ca 0.08 -0.89 -0.28 0.00 -0.01 0.00 0.00 57.90 56.79 2uzg n TYR 102 Cb 0.47 -0.49 -0.16 0.00 -0.02 0.00 0.00 39.34 39.14 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 -1.42 1.63 -0.03 7.72 2.01 -1.26 -1.56 118.68 125.77 2uzg s LEU 103 Ca 0.25 -0.61 0.01 0.00 0.01 0.00 0.00 54.13 53.79 2uzg s LEU 103 Cb 0.21 -0.97 0.02 0.00 0.01 0.00 0.00 46.19 45.46 2uzg s LEU 103 CO 0.06 -0.15 -0.02 0.28 1.01 0.00 0.00 176.35 177.52 2uzg s THR 104 N 1.60 0.34 -0.18 5.49 -1.32 -0.79 -1.78 115.64 119.00 2uzg s THR 104 Ca 0.02 -0.04 0.01 0.00 -1.21 0.00 0.00 61.69 60.46 2uzg s THR 104 Cb -0.15 -0.38 0.02 0.00 -1.51 0.00 0.00 72.50 70.48 2uzg s THR 104 CO -0.08 0.17 -0.19 0.54 -2.21 0.00 0.00 174.62 172.84 2uzg s VAL 105 N 0.76 2.05 -0.14 5.08 0.11 -0.76 0.34 120.40 127.85 2uzg s VAL 105 Ca -0.09 -0.98 -0.29 0.00 -2.93 0.00 0.00 61.98 57.69 2uzg s VAL 105 Cb -0.12 -1.88 -0.02 0.00 -1.53 0.00 0.00 36.38 32.83 2uzg s VAL 105 CO -0.01 0.50 1.32 0.54 -3.33 0.00 0.00 175.10 174.13 2uzg s ASN 106 N 1.28 6.90 0.19 3.54 2.20 -0.37 -1.81 114.94 126.88 2uzg s ASN 106 Ca 0.04 1.80 0.23 0.00 -0.94 0.00 0.00 52.86 53.98 2uzg s ASN 106 Cb -0.13 -2.54 0.90 0.00 -2.00 0.00 0.00 41.25 37.48 2uzg s ASN 106 CO -0.12 -0.78 1.69 0.18 -2.94 0.00 0.00 177.10 175.13 2uzg n LEU 107 N 6.57 0.53 0.05 3.54 4.32 -0.40 0.44 117.00 132.05 2uzg n LEU 107 Ca 0.14 0.61 -0.08 0.00 -0.02 0.00 0.00 56.01 56.66 2uzg n LEU 107 Cb 0.45 -0.51 -0.13 0.00 -1.62 0.00 0.00 43.42 41.61 2uzg n LEU 107 CO 0.57 -0.40 -0.01 0.71 -1.22 0.00 0.00 177.39 177.03 2uzg h THR 108 N 0.00 1.52 -0.00 -5.08 1.35 -1.83 -3.36 112.91 105.51 2uzg h THR 108 Ca 0.00 -3.25 0.00 0.00 -0.55 0.00 0.00 66.41 62.61 2uzg h THR 108 Cb 0.42 2.77 0.00 0.00 -1.73 0.00 0.00 68.15 69.61 2uzg h THR 108 CO 0.00 0.87 -0.16 0.41 -0.25 0.00 0.00 175.52 176.39 2uzg n THR 109 N -3.30 0.00 -2.42 6.82 -1.04 -1.13 -5.00 114.28 108.21 2uzg n THR 109 Ca -0.04 -0.42 -0.19 0.00 -2.04 0.00 0.00 64.05 61.36 2uzg n THR 109 Cb 0.97 1.01 -0.01 0.00 -1.82 0.00 0.00 70.33 70.48 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 -0.95 -1.94 -4.48 -4.42 4.77 0.17 -4.99 117.00 105.16 2uzg n LEU 110 Ca 0.01 -0.04 -0.33 0.00 -0.03 0.00 0.00 56.01 55.62 2uzg n LEU 110 Cb 0.07 -2.75 -0.13 0.00 -2.33 0.00 0.00 43.42 38.28 2uzg n LEU 110 CO 0.07 -0.16 -0.45 -0.13 -1.33 0.00 0.00 177.39 175.39 2uzg s ARG 111 N -5.02 2.46 0.11 3.23 0.52 -1.17 -4.94 118.95 114.14 2uzg s ARG 111 Ca 0.03 -0.73 -0.03 0.00 -0.52 0.00 0.00 55.73 54.48 2uzg s ARG 111 Cb -0.01 -2.36 -0.05 0.00 0.52 0.00 0.00 34.95 33.05 2uzg s ARG 111 CO 0.03 0.61 0.31 0.08 0.02 0.00 0.00 175.30 176.35 2uzg s VAL 112 N -0.77 5.26 0.00 3.52 1.01 -1.17 -1.24 120.40 127.02 2uzg s VAL 112 Ca 0.12 -0.15 0.04 0.00 0.00 0.00 0.00 61.98 61.99 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 0.07 -0.12 0.86 0.00 0.00 0.00 175.10 175.92 2uzg s TRP 113 N -1.61 1.07 -0.26 5.22 -0.11 0.15 -0.92 118.94 122.49 2uzg s TRP 113 Ca 0.39 -0.24 0.01 0.00 1.22 0.00 0.00 56.10 57.47 2uzg s TRP 113 Cb -0.12 -0.67 0.04 0.00 -1.50 0.00 0.00 33.47 31.22 2uzg s TRP 113 CO 0.26 -0.01 -0.09 0.00 -4.62 0.00 0.00 176.95 172.50 2uzg h TYR 115 N 7.90 0.90 0.25 0.00 -1.99 -1.55 0.73 116.97 123.21 2uzg h TYR 115 Ca -0.26 -0.25 -0.01 0.00 2.00 0.00 0.00 58.73 60.20 2uzg h TYR 115 Cb 1.07 -0.20 0.00 0.00 2.00 0.00 0.00 36.73 39.61 2uzg h TYR 115 CO 0.60 1.01 -0.13 0.00 -0.00 0.00 0.00 178.16 179.64 2uzg h ALA 116 N 0.75 -0.34 -0.01 3.88 0.00 -1.95 -2.57 119.26 119.02 2uzg h ALA 116 Ca 0.06 -0.07 -0.10 0.00 0.00 0.00 0.00 54.91 54.80 2uzg h ALA 116 Cb 0.82 0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.74 2uzg h ALA 116 CO 0.07 -0.69 -0.45 0.00 0.00 0.00 0.00 179.25 178.18 2uzg n SER 118 N -4.01 -2.19 -3.78 0.00 7.64 0.17 -5.05 113.62 106.40 2uzg n SER 118 Ca -0.02 -0.11 0.02 0.00 1.01 0.00 0.00 58.87 59.77 2uzg n SER 118 Cb 0.47 -1.33 0.01 0.00 -1.01 0.00 0.00 64.21 62.36 2uzg n SER 118 CO 0.00 0.00 0.00 -1.59 -3.01 0.00 0.00 175.04 170.44 2uzg s LYS 119 N -4.02 0.39 0.21 1.43 -2.85 -0.73 -5.04 119.74 109.13 2uzg s LYS 119 Ca 0.02 -0.25 -0.15 0.00 -1.00 0.00 0.00 55.97 54.59 2uzg s LYS 119 Cb -0.00 0.11 -0.08 0.00 -2.06 0.00 0.00 37.83 35.80 2uzg s LYS 119 CO 0.13 -0.18 0.62 -2.00 0.10 0.00 0.00 175.35 174.02 2uzg s GLU 120 N -2.08 4.02 0.28 1.78 2.12 -1.26 -0.24 118.70 123.32 2uzg s GLU 120 Ca 0.27 0.58 0.02 0.00 0.36 0.00 0.00 54.97 56.20 2uzg s GLU 120 Cb 0.00 -2.79 -0.04 0.00 0.26 0.00 0.00 34.13 31.56 2uzg s GLU 120 CO -0.01 0.38 0.12 0.14 -0.54 0.00 0.00 175.26 175.35 2uzg s VAL 121 N -1.62 0.48 -0.06 3.70 -7.23 -0.09 -4.85 120.40 110.72 2uzg s VAL 121 Ca 0.43 -2.00 0.05 0.00 -1.81 0.00 0.00 61.98 58.66 2uzg s VAL 121 Cb -0.14 -2.58 -0.01 0.00 0.56 0.00 0.00 36.38 34.21 2uzg s VAL 121 CO 0.20 0.00 -0.23 0.72 -0.31 0.00 0.00 175.10 175.47 2uzg s PHE 122 N -3.67 2.49 0.18 2.82 -0.71 -1.26 -3.02 117.98 114.82 2uzg s PHE 122 Ca 0.36 -0.68 0.03 0.00 -1.04 0.00 0.00 56.93 55.60 2uzg s PHE 122 Cb 0.06 -1.62 -0.03 0.00 -1.21 0.00 0.00 43.02 40.22 2uzg s PHE 122 CO 0.15 -0.19 0.31 -1.17 -1.34 0.00 0.00 175.22 172.98 2uzg s LEU 123 N -0.15 4.32 -0.30 -1.99 2.96 -1.26 -5.06 118.68 117.20 2uzg s LEU 123 Ca -0.04 0.12 -0.15 0.00 -0.22 0.00 0.00 54.13 53.85 2uzg s LEU 123 Cb -0.14 -2.88 0.15 0.00 0.50 0.00 0.00 46.19 43.83 2uzg s LEU 123 CO 0.04 0.01 0.93 -1.81 -1.32 0.00 0.00 176.35 174.20 2uzg s ASP 124 N -3.51 -0.64 -0.10 3.68 1.01 -1.26 -5.05 116.67 110.80 2uzg s ASP 124 Ca 0.34 0.92 0.06 0.00 0.71 0.00 0.00 52.55 54.58 2uzg s ASP 124 Cb -0.10 1.63 -0.10 0.00 1.01 0.00 0.00 42.92 45.35 2uzg s ASP 124 CO 0.29 -0.13 -0.02 -1.14 0.21 0.00 0.00 175.17 174.38 2uzg n ARG 125 N 4.72 1.72 -2.82 8.23 3.00 -1.26 -4.90 116.66 125.35 2uzg n ARG 125 Ca -0.12 0.02 -0.43 0.00 -0.00 0.00 0.00 57.85 57.32 2uzg n ARG 125 Cb 0.53 -1.24 -0.04 0.00 0.00 0.00 0.00 32.46 31.72 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 -2.23 3.19 0.29 -0.14 1.02 -1.26 -4.98 119.74 115.63 2uzg s LYS 126 Ca -0.09 -0.58 0.08 0.00 0.02 0.00 0.00 55.97 55.40 2uzg s LYS 126 Cb 0.03 -4.17 -0.06 0.00 -0.52 0.00 0.00 37.83 33.12 2uzg s LYS 126 CO 0.35 -1.75 -0.08 -0.51 -0.92 0.00 0.00 175.35 172.44 2uzg s LEU 127 N 4.22 2.55 0.09 3.17 1.43 -1.26 -5.06 118.68 123.83 2uzg s LEU 127 Ca 0.26 -1.18 -0.02 0.00 -1.03 0.00 0.00 54.13 52.16 2uzg s LEU 127 Cb -0.14 -0.75 -0.24 0.00 0.03 0.00 0.00 46.19 45.09 2uzg s LEU 127 CO 0.14 -0.28 1.19 1.23 0.23 0.00 0.00 176.35 178.85 2uzg h GLY 128 N 2.23 0.27 1.02 -3.19 0.00 -2.04 -3.32 103.07 98.05 2uzg h GLY 128 Ca -0.40 -0.66 -0.30 0.00 0.00 0.00 0.00 47.33 45.97 2uzg h GLY 128 CO 0.67 0.58 -1.68 -0.84 0.00 0.00 0.00 176.54 175.27 2uzg h THR 129 N 0.08 0.90 0.00 4.70 2.02 -2.00 -3.57 112.91 115.03 2uzg h THR 129 Ca -0.11 -2.72 0.00 0.00 0.77 0.00 0.00 66.41 64.36 2uzg h THR 129 Cb 1.88 2.48 0.00 0.00 -1.74 0.00 0.00 68.15 70.77 2uzg h THR 129 CO 0.19 0.59 0.00 0.00 0.37 0.00 0.00 175.52 176.67