#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 0.66 -4.66 0.55 2.85 -1.26 -5.07 115.26 108.33 2uzg n ASN 37 Ca 0.00 0.11 -0.22 0.00 -0.11 0.00 0.00 54.58 54.35 2uzg n ASN 37 Cb 0.00 -0.46 0.11 0.00 1.24 0.00 0.00 39.78 40.67 2uzg n ASN 37 CO 0.00 0.00 0.00 1.57 -2.11 0.00 0.00 177.26 176.72 2uzg n HIS 38 N -3.15 -2.78 -2.96 1.20 -0.00 -1.26 -5.07 115.22 101.19 2uzg n HIS 38 Ca -0.04 -1.86 -0.40 0.00 0.46 0.00 0.00 57.72 55.88 2uzg n HIS 38 Cb 0.14 -0.69 -0.05 0.00 -0.12 0.00 0.00 29.99 29.27 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 5.89 0.46 -0.49 0.00 0.13 -1.97 -1.12 132.00 134.89 2uzg h PRO 40 Ca -0.43 -0.17 0.09 0.00 -0.87 0.00 0.00 66.00 64.61 2uzg h PRO 40 Cb 1.21 -0.03 -0.10 0.00 0.13 0.00 0.00 31.00 32.21 2uzg h PRO 40 CO 0.72 0.68 -0.37 0.45 -0.23 0.00 0.00 178.00 179.25 2uzg h HIS 41 N 0.20 -1.06 -0.02 1.56 3.86 -1.97 -0.69 115.15 117.03 2uzg h HIS 41 Ca 0.06 0.07 -0.18 0.00 -1.16 0.00 0.00 60.37 59.16 2uzg h HIS 41 Cb 0.51 0.54 -0.01 0.00 1.06 0.00 0.00 27.41 29.51 2uzg h HIS 41 CO 0.05 -0.40 -0.79 1.37 0.86 0.00 0.00 177.93 179.01 2uzg h LEU 42 N -0.24 0.27 -2.49 2.43 8.10 -1.91 -3.08 115.31 118.39 2uzg h LEU 42 Ca 0.18 -0.20 0.02 0.00 0.11 0.00 0.00 57.88 57.99 2uzg h LEU 42 Cb 0.56 -0.08 -0.00 0.00 -0.44 0.00 0.00 40.66 40.70 2uzg h LEU 42 CO -0.62 0.95 0.14 0.44 -4.11 0.00 0.00 178.44 175.25 2uzg h ASP 43 N 0.13 0.00 0.11 0.17 3.32 0.17 -2.11 116.42 118.21 2uzg h ASP 43 Ca -0.03 0.00 -0.30 0.00 0.02 0.00 0.00 57.03 56.72 2uzg h ASP 43 Cb 1.38 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.93 2uzg h ASP 43 CO 0.12 0.00 -1.54 -1.28 -1.72 0.00 0.00 179.24 174.83 2uzg h SER 44 N 0.00 0.38 -3.57 6.45 0.87 -1.14 -3.46 113.55 113.08 2uzg h SER 44 Ca 0.03 -0.85 -0.52 0.00 -1.23 0.00 0.00 61.79 59.22 2uzg h SER 44 Cb 0.31 -0.12 0.01 0.00 -0.44 0.00 0.00 62.40 62.15 2uzg h SER 44 CO -0.00 1.67 0.48 0.68 -0.53 0.00 0.00 176.83 179.13 2uzg s VAL 45 N -2.49 3.84 0.00 2.23 -7.23 -0.79 -4.96 120.40 111.00 2uzg s VAL 45 Ca -0.21 1.60 0.00 0.00 -1.81 0.00 0.00 61.98 61.56 2uzg s VAL 45 Cb 0.05 -4.02 0.00 0.00 0.56 0.00 0.00 36.38 32.97 2uzg s VAL 45 CO 0.76 0.28 0.00 0.61 -0.31 0.00 0.00 175.10 176.44 2uzg n GLY 46 N 2.02 -0.58 3.15 2.32 0.00 -1.26 -4.83 105.19 106.01 2uzg n GLY 46 Ca 0.03 -0.15 -0.09 0.00 0.00 0.00 0.00 46.02 45.81 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 0.87 -0.12 1.61 2.56 -1.26 -4.69 118.70 117.67 2uzg s GLU 47 Ca 0.00 -1.37 -0.08 0.00 0.00 0.00 0.00 54.97 53.53 2uzg s GLU 47 Cb 0.00 0.25 -0.04 0.00 2.00 0.00 0.00 34.13 36.33 2uzg s GLU 47 CO 0.00 -0.24 0.16 -1.50 -0.56 0.00 0.00 175.26 173.12 2uzg s ILE 48 N -4.01 5.46 0.66 -3.70 1.10 -1.26 -4.52 121.20 114.94 2uzg s ILE 48 Ca 0.20 0.26 -0.11 0.00 -0.51 0.00 0.00 60.65 60.49 2uzg s ILE 48 Cb 0.07 -3.43 -0.01 0.00 0.15 0.00 0.00 42.46 39.24 2uzg s ILE 48 CO -0.01 0.60 1.05 0.42 -2.11 0.00 0.00 174.94 174.89 2uzg s THR 49 N -0.90 4.28 0.18 4.00 -4.23 -1.26 -4.91 115.64 112.80 2uzg s THR 49 Ca 0.15 0.75 -0.12 0.00 -1.18 0.00 0.00 61.69 61.29 2uzg s THR 49 Cb -0.12 -3.57 0.08 0.00 1.34 0.00 0.00 72.50 70.23 2uzg s THR 49 CO 0.04 -0.96 1.75 0.50 -0.54 0.00 0.00 174.62 175.42 2uzg h LYS 50 N -0.54 0.88 -0.37 3.99 1.63 -1.99 -1.93 116.57 118.25 2uzg h LYS 50 Ca -0.44 -0.14 0.03 0.00 -0.85 0.00 0.00 60.65 59.25 2uzg h LYS 50 Cb 1.20 -0.15 -0.02 0.00 -0.60 0.00 0.00 32.23 32.66 2uzg h LYS 50 CO 0.59 0.73 0.25 0.93 -3.45 0.00 0.00 179.45 178.49 2uzg h GLU 51 N 0.83 0.35 0.01 1.90 5.08 -1.99 0.15 114.58 120.91 2uzg h GLU 51 Ca 0.21 -0.02 -0.00 0.00 -1.00 0.00 0.00 59.36 58.54 2uzg h GLU 51 Cb 0.15 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.32 2uzg h GLU 51 CO -0.02 0.23 -0.00 -0.44 -1.00 0.00 0.00 179.01 177.78 2uzg h ASP 52 N 0.36 -0.01 0.00 1.42 5.19 -1.78 -3.24 116.42 118.36 2uzg h ASP 52 Ca 0.15 -0.60 -0.04 0.00 -0.62 0.00 0.00 57.03 55.92 2uzg h ASP 52 Cb 0.15 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 39.65 2uzg h ASP 52 CO -0.03 0.60 -0.10 -0.07 -3.12 0.00 0.00 179.24 176.52 2uzg h LEU 53 N -0.63 0.22 -0.71 1.55 3.38 -0.95 -2.77 115.31 115.39 2uzg h LEU 53 Ca -0.00 -0.04 0.10 0.00 0.09 0.00 0.00 57.88 58.03 2uzg h LEU 53 Cb 0.61 -0.06 -0.08 0.00 0.09 0.00 0.00 40.66 41.23 2uzg h LEU 53 CO 0.00 0.35 0.33 0.40 0.09 0.00 0.00 178.44 179.62 2uzg h ILE 54 N 0.22 0.80 -0.46 1.22 2.04 -0.74 0.88 117.51 121.47 2uzg h ILE 54 Ca 0.05 -0.19 -0.14 0.00 1.00 0.00 0.00 64.86 65.58 2uzg h ILE 54 Cb 0.33 0.20 -0.01 0.00 -0.74 0.00 0.00 36.82 36.59 2uzg h ILE 54 CO 0.02 0.10 -0.26 1.56 0.00 0.00 0.00 178.15 179.57 2uzg h GLN 55 N 0.55 0.99 -0.10 2.37 4.20 -1.54 -2.78 115.11 118.80 2uzg h GLN 55 Ca 0.36 -0.45 -0.11 0.00 0.06 0.00 0.00 58.65 58.52 2uzg h GLN 55 Cb 0.43 -0.02 -0.01 0.00 0.30 0.00 0.00 27.48 28.17 2uzg h GLN 55 CO -0.30 1.12 -0.42 0.87 -0.67 0.00 0.00 178.83 179.43 2uzg h LYS 56 N 0.84 0.22 0.00 1.46 1.57 -1.17 -2.36 116.57 117.12 2uzg h LYS 56 Ca 0.10 -0.10 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2uzg h LYS 56 Cb 0.84 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.15 2uzg h LYS 56 CO 0.07 0.60 0.00 -1.13 -0.57 0.00 0.00 179.45 178.42 2uzg n SER 57 N -4.02 0.39 0.30 0.86 3.41 0.29 -2.81 113.62 112.04 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 -0.68 1.01 0.00 -0.26 0.00 0.00 64.21 64.77 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 -0.53 1.04 3.38 -1.17 -3.46 115.31 114.58 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 -0.87 0.90 3.01 0.83 0.00 -1.12 -4.82 105.19 103.11 2uzg n GLY 59 Ca -0.02 -0.29 -0.13 0.00 0.00 0.00 0.00 46.02 45.58 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 -2.36 -0.01 0.12 2.61 -4.23 -1.26 -0.46 115.64 110.06 2uzg s THR 60 Ca 0.00 0.03 -0.21 0.00 -1.18 0.00 0.00 61.69 60.32 2uzg s THR 60 Cb 0.00 -0.22 -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 4.34 0.14 0.08 0.00 4.20 -1.58 -3.34 115.11 118.95 2uzg h GLN 62 Ca -0.49 -0.18 -0.00 0.00 0.06 0.00 0.00 58.65 58.04 2uzg h GLN 62 Cb 1.21 0.06 0.00 0.00 0.30 0.00 0.00 27.48 29.05 2uzg h GLN 62 CO 0.65 0.97 -0.04 -0.44 -0.67 0.00 0.00 178.83 179.29 2uzg h ASP 63 N 0.07 -0.09 -1.41 1.46 3.45 -1.93 -3.48 116.42 114.49 2uzg h ASP 63 Ca -0.04 -0.52 -0.63 0.00 0.43 0.00 0.00 57.03 56.27 2uzg h ASP 63 Cb 1.58 0.02 -0.13 0.00 -0.56 0.00 0.00 39.33 40.25 2uzg h ASP 63 CO 0.14 0.57 -0.54 0.00 -1.57 0.00 0.00 179.24 177.83 2uzg s LYS 65 N -3.81 4.03 0.04 0.00 -0.14 -1.26 -3.78 119.74 114.81 2uzg s LYS 65 Ca 0.18 -2.87 0.06 0.00 -1.36 0.00 0.00 55.97 51.99 2uzg s LYS 65 Cb 0.04 -4.64 -0.02 0.00 -1.68 0.00 0.00 37.83 31.53 2uzg s LYS 65 CO 0.10 -1.38 -0.18 0.54 -0.76 0.00 0.00 175.35 173.66 2uzg s VAL 66 N -0.24 1.48 0.16 3.17 0.11 -1.26 -4.98 120.40 118.84 2uzg s VAL 66 Ca 0.30 -1.10 -0.14 0.00 -2.93 0.00 0.00 61.98 58.12 2uzg s VAL 66 Cb -0.08 -1.29 -0.07 0.00 -1.53 0.00 0.00 36.38 33.40 2uzg s VAL 66 CO -0.07 0.17 0.56 -1.10 -3.33 0.00 0.00 175.10 171.33 2uzg s GLN 67 N -1.09 3.98 0.00 1.54 -0.21 -1.26 -2.81 119.66 119.80 2uzg s GLN 67 Ca 0.06 0.49 0.00 0.00 0.02 0.00 0.00 55.36 55.93 2uzg s GLN 67 Cb -0.08 -2.88 0.00 0.00 1.00 0.00 0.00 33.01 31.04 2uzg s GLN 67 CO 0.01 0.45 0.00 0.41 -2.12 0.00 0.00 175.29 174.04 2uzg n GLY 68 N 0.67 -0.30 0.21 3.09 0.00 0.39 -4.81 105.19 104.44 2uzg n GLY 68 Ca -0.04 -1.28 -0.15 0.00 0.00 0.00 0.00 46.02 44.55 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 0.69 -5.98 1.61 0.13 -1.96 -3.50 132.00 122.98 2uzg h PRO 69 Ca 0.00 -0.43 -0.74 0.00 -0.87 0.00 0.00 66.00 63.96 2uzg h PRO 69 Cb 0.00 0.05 -0.03 0.00 0.13 0.00 0.00 31.00 31.15 2uzg h PRO 69 CO 0.00 1.05 1.35 0.09 -0.23 0.00 0.00 178.00 180.27 2uzg n ASN 70 N -4.20 1.12 -3.64 1.44 3.02 -1.26 -4.64 115.26 107.10 2uzg n ASN 70 Ca -0.05 0.60 -0.15 0.00 -0.03 0.00 0.00 54.58 54.95 2uzg n ASN 70 Cb 0.55 -1.00 -0.08 0.00 -0.61 0.00 0.00 39.78 38.64 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 6.41 -0.30 0.24 3.41 1.43 -1.26 -4.92 118.68 123.70 2uzg s LEU 71 Ca 1.17 1.00 0.07 0.00 -1.03 0.00 0.00 54.13 55.34 2uzg s LEU 71 Cb -1.32 2.12 -0.04 0.00 0.03 0.00 0.00 46.19 46.99 2uzg s LEU 71 CO 0.61 -0.33 0.20 0.26 0.23 0.00 0.00 176.35 177.32 2uzg s TRP 72 N -0.18 3.13 -0.02 0.29 0.52 0.53 -1.38 118.94 121.83 2uzg s TRP 72 Ca -0.04 -0.09 -0.04 0.00 0.02 0.00 0.00 56.10 55.95 2uzg s TRP 72 Cb -0.03 -1.42 0.00 0.00 -1.15 0.00 0.00 33.47 30.86 2uzg s TRP 72 CO 0.03 0.52 0.09 0.00 0.02 0.00 0.00 176.95 177.61 2uzg s ALA 73 N -2.08 -0.21 0.24 0.98 0.00 -0.03 -1.29 121.76 119.37 2uzg s ALA 73 Ca 0.33 0.01 -0.31 0.00 0.00 0.00 0.00 51.96 51.99 2uzg s ALA 73 Cb -0.08 -0.03 -0.11 0.00 0.00 0.00 0.00 23.12 22.90 2uzg s ALA 73 CO 0.25 -0.11 1.62 0.00 0.00 0.00 0.00 175.76 177.51 2uzg h LEU 75 N 5.79 0.00 -9.35 0.00 5.85 -1.45 -3.44 115.31 112.70 2uzg h LEU 75 Ca -0.45 -0.07 -0.63 0.00 0.84 0.00 0.00 57.88 57.58 2uzg h LEU 75 Cb 1.21 0.00 0.04 0.00 0.37 0.00 0.00 40.66 42.28 2uzg h LEU 75 CO 0.86 0.03 0.87 1.21 -0.34 0.00 0.00 178.44 181.07 2uzg n GLU 76 N -2.52 1.90 -0.20 1.25 0.00 -1.26 -4.38 120.64 115.43 2uzg n GLU 76 Ca 0.03 0.69 -0.00 0.00 0.00 0.00 0.00 57.16 57.88 2uzg n GLU 76 Cb 0.49 -2.46 0.23 0.00 0.00 0.00 0.00 31.44 29.70 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 7.03 0.85 2.00 4.31 -1.24 -1.84 -1.70 115.58 125.00 2uzg h ASN 77 Ca -0.47 -0.05 -0.00 0.00 0.71 0.00 0.00 56.30 56.50 2uzg h ASN 77 Cb 1.28 -0.21 -0.00 0.00 0.73 0.00 0.00 38.32 40.11 2uzg h ASN 77 CO 0.90 0.66 -0.00 -0.09 -1.29 0.00 0.00 177.43 177.60 2uzg h ARG 78 N 0.98 0.00 -6.11 6.67 9.65 -1.91 -3.45 114.38 120.21 2uzg h ARG 78 Ca 0.26 0.00 -0.63 0.00 -1.10 0.00 0.00 59.98 58.50 2uzg h ARG 78 Cb -0.04 0.00 -0.08 0.00 -1.39 0.00 0.00 29.97 28.46 2uzg h ARG 78 CO -0.05 0.00 -0.57 0.00 2.80 0.00 0.00 179.97 182.15 2uzg n SER 80 N 0.42 -0.03 -4.80 0.00 7.64 -1.26 -4.48 113.62 111.11 2uzg n SER 80 Ca -0.08 -3.19 -0.35 0.00 1.01 0.00 0.00 58.87 56.27 2uzg n SER 80 Cb 0.51 0.08 -0.07 0.00 -1.01 0.00 0.00 64.21 63.72 2uzg n SER 80 CO 0.00 0.00 0.00 -0.47 -3.01 0.00 0.00 175.04 171.56 2uzg s TYR 81 N -1.70 3.38 -0.26 1.43 5.04 -1.26 -4.98 117.35 118.99 2uzg s TYR 81 Ca 0.35 0.32 -0.08 0.00 -2.44 0.00 0.00 57.07 55.22 2uzg s TYR 81 Cb 0.34 -1.83 -0.03 0.00 0.35 0.00 0.00 41.96 40.79 2uzg s TYR 81 CO -0.07 0.60 0.10 0.08 -1.34 0.00 0.00 175.55 174.92 2uzg s VAL 82 N -1.07 4.53 0.12 3.14 1.01 -1.26 -1.52 120.40 125.35 2uzg s VAL 82 Ca 0.18 -0.15 0.01 0.00 0.00 0.00 0.00 61.98 62.02 2uzg s VAL 82 Cb -0.12 -3.15 -0.04 0.00 0.00 0.00 0.00 36.38 33.07 2uzg s VAL 82 CO 0.08 0.29 -0.02 -0.83 0.00 0.00 0.00 175.10 174.61 2uzg s GLY 83 N 1.64 0.87 0.04 4.51 0.00 -0.41 -1.29 107.32 112.69 2uzg s GLY 83 Ca 0.06 -1.41 0.01 0.00 0.00 0.00 0.00 44.72 43.38 2uzg s GLY 83 CO 0.05 -1.44 0.12 0.00 0.00 0.00 0.00 173.10 171.84 2uzg n GLY 85 N 0.66 -1.48 0.34 0.00 0.00 -1.26 0.63 105.19 104.07 2uzg n GLY 85 Ca -0.09 -1.60 0.19 0.00 0.00 0.00 0.00 46.02 44.52 2uzg n GLY 85 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2uzg h GLU 86 N 0.00 0.00 0.00 1.61 5.08 -1.89 0.43 114.58 119.81 2uzg h GLU 86 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 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 0.77 -1.00 0.00 0.00 179.01 178.78 2uzg h SER 87 N 0.00 0.00 0.00 1.42 0.02 -2.00 -3.38 113.55 109.61 2uzg h SER 87 Ca 0.02 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.97 2uzg h SER 87 Cb 0.30 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.84 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 -2.64 0.00 -0.34 3.45 1.13 -0.21 -5.00 117.38 113.76 2uzg n GLN 88 Ca -0.01 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.05 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 -2.39 0.00 -3.07 5.09 0.31 -0.89 -5.00 118.33 112.37 2uzg n VAL 89 Ca 0.00 0.00 -0.18 0.00 -0.01 0.00 0.00 64.34 64.15 2uzg n VAL 89 Cb 0.00 0.43 -0.01 0.00 -0.91 0.00 0.00 33.84 33.35 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 -3.08 -0.19 4.52 4.64 0.14 -4.79 116.55 117.79 2uzg n ASP 90 Ca 0.00 -0.14 0.11 0.00 -1.38 0.00 0.00 54.79 53.38 2uzg n ASP 90 Cb 0.59 -2.61 0.43 0.00 -1.04 0.00 0.00 41.12 38.49 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 -0.54 0.65 -0.63 -0.67 3.86 0.01 0.70 115.15 118.53 2uzg h HIS 91 Ca -0.33 0.02 -0.00 0.00 -1.16 0.00 0.00 60.37 58.90 2uzg h HIS 91 Cb 1.22 -0.21 -0.03 0.00 1.06 0.00 0.00 27.41 29.45 2uzg h HIS 91 CO 0.72 0.28 0.37 1.03 0.86 0.00 0.00 177.93 181.20 2uzg h SER 92 N 0.59 0.75 -0.03 2.45 0.87 -1.62 0.95 113.55 117.51 2uzg h SER 92 Ca 0.36 -0.04 -0.02 0.00 -1.23 0.00 0.00 61.79 60.86 2uzg h SER 92 Cb 0.60 -0.19 0.00 0.00 -0.44 0.00 0.00 62.40 62.37 2uzg h SER 92 CO -0.13 0.59 -0.06 0.74 -0.53 0.00 0.00 176.83 177.43 2uzg h THR 93 N 0.87 1.44 0.05 2.23 2.02 -1.16 -0.42 112.91 117.93 2uzg h THR 93 Ca 0.23 -1.39 0.01 0.00 0.77 0.00 0.00 66.41 66.03 2uzg h THR 93 Cb -0.03 2.29 -0.02 0.00 -1.74 0.00 0.00 68.15 68.66 2uzg h THR 93 CO -0.04 0.37 -0.10 0.40 0.37 0.00 0.00 175.52 176.53 2uzg h ILE 94 N -0.43 0.77 -0.59 3.11 2.04 -1.09 -1.29 117.51 120.02 2uzg h ILE 94 Ca 0.00 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.87 2uzg h ILE 94 Cb 0.64 0.77 -0.03 0.00 -0.74 0.00 0.00 36.82 37.46 2uzg h ILE 94 CO 0.01 0.00 0.39 -0.74 0.00 0.00 0.00 178.15 177.81 2uzg h HIS 95 N -0.19 0.75 -0.79 1.37 2.76 -0.88 -1.48 115.15 116.70 2uzg h HIS 95 Ca 0.02 0.02 0.01 0.00 -2.20 0.00 0.00 60.37 58.22 2uzg h HIS 95 Cb 0.21 -0.25 -0.04 0.00 1.55 0.00 0.00 27.41 28.87 2uzg h HIS 95 CO -0.14 0.48 0.52 1.03 -1.30 0.00 0.00 177.93 178.52 2uzg h SER 96 N 0.80 0.88 -0.04 3.26 0.87 -0.17 -1.94 113.55 117.22 2uzg h SER 96 Ca 0.22 -0.02 -0.02 0.00 -1.23 0.00 0.00 61.79 60.74 2uzg h SER 96 Cb -0.08 -0.22 -0.00 0.00 -0.44 0.00 0.00 62.40 61.66 2uzg h SER 96 CO -0.05 0.63 -0.06 1.56 -0.53 0.00 0.00 176.83 178.39 2uzg h GLN 97 N 1.04 0.11 -0.55 2.24 7.50 -0.50 0.82 115.11 125.77 2uzg h GLN 97 Ca 0.29 -0.06 0.11 0.00 0.50 0.00 0.00 58.65 59.49 2uzg h GLN 97 Cb -0.09 0.01 -0.09 0.00 0.05 0.00 0.00 27.48 27.35 2uzg h GLN 97 CO -0.07 0.61 -0.02 0.93 -1.50 0.00 0.00 178.83 178.77 2uzg h GLU 98 N -0.39 0.09 -0.61 1.46 5.08 -1.13 -1.66 114.58 117.43 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 -5.28 1.07 -1.73 1.13 -2.24 -0.74 -4.94 114.28 101.55 2uzg n THR 99 Ca 0.07 -1.03 -0.19 0.00 -2.27 0.00 0.00 64.05 60.63 2uzg n THR 99 Cb 0.31 0.46 -0.07 0.00 -2.10 0.00 0.00 70.33 68.94 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 1.25 -1.50 -2.83 -0.78 4.76 0.15 -4.90 118.16 114.31 2uzg n LYS 100 Ca 0.21 1.08 -0.43 0.00 -2.87 0.00 0.00 58.31 56.29 2uzg n LYS 100 Cb 0.59 -5.49 -0.03 0.00 -1.84 0.00 0.00 35.03 28.25 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 -2.68 2.76 -0.26 2.13 3.76 0.24 -4.87 115.29 116.36 2uzg s HIS 101 Ca 0.00 -0.77 0.02 0.00 -0.15 0.00 0.00 55.06 54.16 2uzg s HIS 101 Cb 0.00 -4.34 0.39 0.00 1.11 0.00 0.00 32.58 29.73 2uzg s HIS 101 CO 0.00 -1.66 1.53 0.66 -0.85 0.00 0.00 174.74 174.42 2uzg n TYR 102 N 7.60 1.77 -3.82 1.40 4.01 -1.26 -4.11 117.16 122.74 2uzg n TYR 102 Ca 0.07 -1.27 -0.26 0.00 -0.16 0.00 0.00 57.90 56.28 2uzg n TYR 102 Cb 0.47 -0.65 -0.17 0.00 -0.31 0.00 0.00 39.34 38.68 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 -1.90 1.05 -0.01 7.72 2.01 -1.26 -1.37 118.68 124.92 2uzg s LEU 103 Ca 0.33 -0.38 0.02 0.00 0.01 0.00 0.00 54.13 54.10 2uzg s LEU 103 Cb 0.28 -0.66 0.00 0.00 0.01 0.00 0.00 46.19 45.82 2uzg s LEU 103 CO 0.06 -0.19 -0.05 0.28 1.01 0.00 0.00 176.35 177.46 2uzg s THR 104 N 1.82 0.47 -0.13 5.49 -1.32 -0.77 -1.14 115.64 120.05 2uzg s THR 104 Ca 0.03 -0.21 0.03 0.00 -1.21 0.00 0.00 61.69 60.32 2uzg s THR 104 Cb -0.14 -0.43 0.01 0.00 -1.51 0.00 0.00 72.50 70.44 2uzg s THR 104 CO -0.07 0.15 -0.22 0.54 -2.21 0.00 0.00 174.62 172.82 2uzg s VAL 105 N 0.11 2.02 -0.15 5.08 0.11 0.54 0.30 120.40 128.41 2uzg s VAL 105 Ca -0.01 -0.96 -0.28 0.00 -2.93 0.00 0.00 61.98 57.80 2uzg s VAL 105 Cb -0.05 -1.78 -0.01 0.00 -1.53 0.00 0.00 36.38 33.01 2uzg s VAL 105 CO -0.00 0.54 0.97 0.54 -3.33 0.00 0.00 175.10 173.82 2uzg s ASN 106 N 0.80 7.13 0.36 3.54 2.20 -0.25 -0.85 114.94 127.87 2uzg s ASN 106 Ca -0.08 1.40 0.27 0.00 -0.94 0.00 0.00 52.86 53.51 2uzg s ASN 106 Cb -0.16 -2.52 1.03 0.00 -2.00 0.00 0.00 41.25 37.60 2uzg s ASN 106 CO -0.01 -0.49 1.80 -0.07 -2.94 0.00 0.00 177.10 175.39 2uzg h LEU 107 N 8.47 0.00 0.00 3.54 3.38 -1.55 0.52 115.31 129.67 2uzg h LEU 107 Ca -0.27 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 57.54 2uzg h LEU 107 Cb 1.12 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.85 2uzg h LEU 107 CO 0.88 0.00 -0.88 0.71 0.09 0.00 0.00 178.44 179.25 2uzg h THR 108 N 0.00 1.09 0.00 0.22 1.35 -1.83 -3.35 112.91 110.39 2uzg h THR 108 Ca 0.00 -2.61 0.00 0.00 -0.55 0.00 0.00 66.41 63.25 2uzg h THR 108 Cb 0.52 2.51 0.00 0.00 -1.73 0.00 0.00 68.15 69.45 2uzg h THR 108 CO 0.00 0.62 -0.18 0.41 -0.25 0.00 0.00 175.52 176.12 2uzg n THR 109 N -3.21 0.00 -2.35 6.82 -1.04 -1.13 -5.00 114.28 108.37 2uzg n THR 109 Ca -0.02 -0.41 -0.20 0.00 -2.04 0.00 0.00 64.05 61.38 2uzg n THR 109 Cb 0.84 0.99 -0.01 0.00 -1.82 0.00 0.00 70.33 70.32 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 -1.09 -1.91 -4.61 -4.42 4.77 0.18 -4.99 117.00 104.94 2uzg n LEU 110 Ca 0.01 0.00 -0.24 0.00 -0.03 0.00 0.00 56.01 55.75 2uzg n LEU 110 Cb 0.05 -2.86 -0.08 0.00 -2.33 0.00 0.00 43.42 38.20 2uzg n LEU 110 CO 0.07 -0.24 -0.37 -0.13 -1.33 0.00 0.00 177.39 175.39 2uzg s ARG 111 N -4.96 2.17 0.10 3.23 0.52 -1.18 -4.94 118.95 113.89 2uzg s ARG 111 Ca 0.00 -1.41 0.06 0.00 -0.52 0.00 0.00 55.73 53.86 2uzg s ARG 111 Cb 0.00 -2.12 -0.04 0.00 0.52 0.00 0.00 34.95 33.31 2uzg s ARG 111 CO 0.00 0.38 -0.05 0.08 0.02 0.00 0.00 175.30 175.74 2uzg s VAL 112 N -2.16 3.70 -0.01 3.52 1.01 -1.23 -1.09 120.40 124.14 2uzg s VAL 112 Ca 0.29 -1.14 0.04 0.00 0.00 0.00 0.00 61.98 61.17 2uzg s VAL 112 Cb -0.07 -2.75 -0.01 0.00 0.00 0.00 0.00 36.38 33.55 2uzg s VAL 112 CO 0.18 0.10 -0.12 0.86 0.00 0.00 0.00 175.10 176.13 2uzg s TRP 113 N -1.28 1.04 -0.29 5.22 -0.11 0.15 -1.66 118.94 122.00 2uzg s TRP 113 Ca 0.24 -0.21 -0.03 0.00 1.22 0.00 0.00 56.10 57.32 2uzg s TRP 113 Cb -0.11 -0.67 0.03 0.00 -1.50 0.00 0.00 33.47 31.22 2uzg s TRP 113 CO 0.16 -0.02 0.01 0.00 -4.62 0.00 0.00 176.95 172.49 2uzg h TYR 115 N 8.07 0.91 0.25 0.00 0.99 -1.49 0.17 116.97 125.88 2uzg h TYR 115 Ca -0.27 -0.25 -0.01 0.00 2.00 0.00 0.00 58.73 60.20 2uzg h TYR 115 Cb 1.09 -0.20 0.00 0.00 1.00 0.00 0.00 36.73 38.62 2uzg h TYR 115 CO 0.60 1.01 -0.12 0.00 -0.00 0.00 0.00 178.16 179.65 2uzg h ALA 116 N 0.75 -0.34 -0.00 3.88 0.00 -1.95 -2.75 119.26 118.86 2uzg h ALA 116 Ca 0.06 -0.09 -0.10 0.00 0.00 0.00 0.00 54.91 54.78 2uzg h ALA 116 Cb 0.83 0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.73 2uzg h ALA 116 CO 0.07 -0.67 -0.50 0.00 0.00 0.00 0.00 179.25 178.16 2uzg n SER 118 N -3.95 -2.18 -3.61 0.00 2.88 0.53 -5.06 113.62 102.23 2uzg n SER 118 Ca -0.02 -0.12 0.02 0.00 -1.33 0.00 0.00 58.87 57.43 2uzg n SER 118 Cb 0.51 -1.37 -0.00 0.00 -0.75 0.00 0.00 64.21 62.60 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 -4.06 0.31 0.09 -1.46 -2.85 -0.70 -5.02 119.74 106.06 2uzg s LYS 119 Ca 0.02 -0.17 -0.26 0.00 -1.00 0.00 0.00 55.97 54.55 2uzg s LYS 119 Cb -0.00 0.11 -0.06 0.00 -2.06 0.00 0.00 37.83 35.81 2uzg s LYS 119 CO 0.14 -0.14 0.80 -1.83 0.10 0.00 0.00 175.35 174.41 2uzg s GLU 120 N -2.33 4.55 0.33 1.78 4.04 -1.26 -0.13 118.70 125.68 2uzg s GLU 120 Ca 0.15 1.15 0.05 0.00 0.04 0.00 0.00 54.97 56.36 2uzg s GLU 120 Cb 0.05 -3.33 -0.07 0.00 0.02 0.00 0.00 34.13 30.81 2uzg s GLU 120 CO -0.04 0.37 0.03 0.14 -1.84 0.00 0.00 175.26 173.91 2uzg s VAL 121 N -0.40 1.43 -0.06 1.83 -7.23 -0.67 -4.88 120.40 110.42 2uzg s VAL 121 Ca 0.39 -2.03 0.05 0.00 -1.81 0.00 0.00 61.98 58.58 2uzg s VAL 121 Cb -0.22 -2.76 -0.00 0.00 0.56 0.00 0.00 36.38 33.96 2uzg s VAL 121 CO 0.25 -0.06 -0.20 0.72 -0.31 0.00 0.00 175.10 175.50 2uzg s PHE 122 N -3.13 2.03 0.28 2.82 -0.71 -1.26 -3.54 117.98 114.47 2uzg s PHE 122 Ca 0.35 -0.65 -0.21 0.00 -1.04 0.00 0.00 56.93 55.37 2uzg s PHE 122 Cb 0.08 -1.36 -0.09 0.00 -1.21 0.00 0.00 43.02 40.44 2uzg s PHE 122 CO 0.15 -0.23 0.82 -0.51 -1.34 0.00 0.00 175.22 174.10 2uzg s LEU 123 N 0.10 4.28 -0.30 -1.99 2.01 -1.26 -5.04 118.68 116.48 2uzg s LEU 123 Ca -0.07 1.56 -0.12 0.00 0.01 0.00 0.00 54.13 55.51 2uzg s LEU 123 Cb -0.14 -3.85 0.14 0.00 0.01 0.00 0.00 46.19 42.35 2uzg s LEU 123 CO 0.04 -0.05 0.75 1.51 1.01 0.00 0.00 176.35 179.60 2uzg s ASP 124 N -1.74 -0.98 -0.21 2.29 1.47 -1.26 -5.05 116.67 111.19 2uzg s ASP 124 Ca 0.48 1.35 0.04 0.00 1.18 0.00 0.00 52.55 55.60 2uzg s ASP 124 Cb -0.16 2.10 -0.16 0.00 -0.34 0.00 0.00 42.92 44.36 2uzg s ASP 124 CO 0.21 -0.19 -0.15 0.54 0.68 0.00 0.00 175.17 176.26 2uzg n ARG 125 N 5.29 0.67 -3.74 2.11 1.74 -1.26 -5.01 116.66 116.46 2uzg n ARG 125 Ca -0.11 0.10 -0.12 0.00 -0.77 0.00 0.00 57.85 56.95 2uzg n ARG 125 Cb 0.50 -1.44 -0.11 0.00 -1.02 0.00 0.00 32.46 30.39 2uzg n ARG 125 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 2uzg s LYS 126 N -2.44 0.36 0.11 5.56 -0.14 -1.26 -5.16 119.74 116.78 2uzg s LYS 126 Ca -0.26 0.56 -0.15 0.00 -1.36 0.00 0.00 55.97 54.77 2uzg s LYS 126 Cb 0.07 0.09 -0.07 0.00 -1.68 0.00 0.00 37.83 36.24 2uzg s LYS 126 CO 0.55 -0.09 0.52 -0.51 -0.76 0.00 0.00 175.35 175.05 2uzg s LEU 127 N 0.66 4.39 0.15 3.17 1.43 -1.26 -4.90 118.68 122.32 2uzg s LEU 127 Ca -0.04 1.06 0.00 0.00 -1.03 0.00 0.00 54.13 54.12 2uzg s LEU 127 Cb -0.05 -3.10 0.00 0.00 0.03 0.00 0.00 46.19 43.07 2uzg s LEU 127 CO -0.04 0.16 0.00 0.61 0.23 0.00 0.00 176.35 177.31 2uzg n GLY 128 N 1.08 -1.05 2.01 -3.19 0.00 -1.26 -5.08 105.19 97.71 2uzg n GLY 128 Ca -0.07 0.18 0.00 0.00 0.00 0.00 0.00 46.02 46.13 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 -2.78 0.00 -0.58 2.61 -1.04 -1.26 -5.35 114.28 105.88 2uzg n THR 129 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 2uzg n THR 129 Cb 0.00 -0.18 0.00 0.00 -1.82 0.00 0.00 70.33 68.33 2uzg n THR 129 CO 0.00 0.00 0.00 1.67 -0.64 0.00 0.00 175.07 176.10