#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 -0.15 0.82 6.15 4.22 -1.26 -5.18 114.94 119.55 2uzg s ASN 37 Ca 0.00 -0.41 -0.12 0.00 -2.14 0.00 0.00 52.86 50.19 2uzg s ASN 37 Cb 0.00 0.46 0.10 0.00 1.28 0.00 0.00 41.25 43.09 2uzg s ASN 37 CO 0.00 -0.85 1.19 -2.28 -2.04 0.00 0.00 177.10 173.11 2uzg s HIS 38 N -3.10 2.71 0.03 1.54 2.46 -1.26 -5.05 115.29 112.62 2uzg s HIS 38 Ca 0.13 0.64 -0.23 0.00 0.47 0.00 0.00 55.06 56.07 2uzg s HIS 38 Cb -0.01 -3.57 -0.05 0.00 -0.13 0.00 0.00 32.58 28.82 2uzg s HIS 38 CO 0.02 -1.89 0.69 0.00 -2.47 0.00 0.00 174.74 171.10 2uzg h PRO 40 N 5.63 0.49 -0.50 0.00 0.13 -1.96 -1.14 132.00 134.64 2uzg h PRO 40 Ca -0.45 -0.22 0.09 0.00 -0.87 0.00 0.00 66.00 64.55 2uzg h PRO 40 Cb 1.20 -0.01 -0.10 0.00 0.13 0.00 0.00 31.00 32.22 2uzg h PRO 40 CO 0.70 0.77 -0.37 0.45 -0.23 0.00 0.00 178.00 179.32 2uzg h HIS 41 N 0.20 -1.05 -0.03 1.56 3.86 -1.99 0.46 115.15 118.16 2uzg h HIS 41 Ca 0.05 0.07 -0.21 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 29.64 2uzg h HIS 41 CO 0.07 -0.40 -0.86 1.37 0.86 0.00 0.00 177.93 178.96 2uzg h LEU 42 N -0.23 0.51 -2.64 2.43 8.10 -1.92 -3.10 115.31 118.46 2uzg h LEU 42 Ca 0.19 -0.38 0.01 0.00 0.11 0.00 0.00 57.88 57.81 2uzg h LEU 42 Cb 0.56 -0.15 -0.00 0.00 -0.44 0.00 0.00 40.66 40.62 2uzg h LEU 42 CO -0.62 1.16 0.07 -0.78 -4.11 0.00 0.00 178.44 174.16 2uzg h ASP 43 N 0.25 0.00 0.14 0.17 3.58 -0.02 -2.22 116.42 118.31 2uzg h ASP 43 Ca -0.06 0.00 -0.27 0.00 0.42 0.00 0.00 57.03 57.12 2uzg h ASP 43 Cb 1.48 0.00 0.01 0.00 1.72 0.00 0.00 39.33 42.53 2uzg h ASP 43 CO 0.15 0.00 -1.35 -1.28 -2.88 0.00 0.00 179.24 173.87 2uzg h SER 44 N 0.00 0.45 -3.90 2.28 0.87 -0.88 -3.46 113.55 108.91 2uzg h SER 44 Ca 0.01 -0.89 -0.49 0.00 -1.23 0.00 0.00 61.79 59.20 2uzg h SER 44 Cb 0.16 -0.15 0.01 0.00 -0.44 0.00 0.00 62.40 61.99 2uzg h SER 44 CO -0.00 1.61 0.43 0.68 -0.53 0.00 0.00 176.83 179.01 2uzg s VAL 45 N -2.49 3.68 0.00 2.23 -7.23 -0.84 -4.97 120.40 110.79 2uzg s VAL 45 Ca -0.18 1.43 0.00 0.00 -1.81 0.00 0.00 61.98 61.43 2uzg s VAL 45 Cb 0.04 -3.81 0.00 0.00 0.56 0.00 0.00 36.38 33.16 2uzg s VAL 45 CO 0.80 0.15 0.00 0.61 -0.31 0.00 0.00 175.10 176.35 2uzg n GLY 46 N 0.68 0.81 3.14 2.32 0.00 -1.26 -4.85 105.19 106.03 2uzg n GLY 46 Ca 0.03 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.95 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 0.75 0.88 0.09 1.61 2.12 -1.26 -4.63 118.70 118.25 2uzg s GLU 47 Ca 0.00 -1.41 0.03 0.00 0.36 0.00 0.00 54.97 53.95 2uzg s GLU 47 Cb 0.00 0.23 -0.04 0.00 0.26 0.00 0.00 34.13 34.58 2uzg s GLU 47 CO 0.00 -0.24 0.09 0.42 -0.54 0.00 0.00 175.26 175.00 2uzg s ILE 48 N -4.03 4.58 0.62 -3.70 1.01 -1.26 -4.62 121.20 113.80 2uzg s ILE 48 Ca 0.22 -0.79 -0.11 0.00 0.00 0.00 0.00 60.65 59.97 2uzg s ILE 48 Cb 0.08 -3.23 -0.04 0.00 0.01 0.00 0.00 42.46 39.28 2uzg s ILE 48 CO 0.00 0.09 1.03 0.42 0.00 0.00 0.00 174.94 176.48 2uzg s THR 49 N -1.44 4.69 0.22 2.92 -4.23 -1.26 -4.90 115.64 111.64 2uzg s THR 49 Ca 0.30 0.87 -0.08 0.00 -1.18 0.00 0.00 61.69 61.59 2uzg s THR 49 Cb -0.12 -3.86 0.18 0.00 1.34 0.00 0.00 72.50 70.04 2uzg s THR 49 CO 0.23 -1.14 1.86 0.11 -0.54 0.00 0.00 174.62 175.14 2uzg h LYS 50 N -0.32 0.95 -0.70 3.99 1.79 -1.99 -1.54 116.57 118.74 2uzg h LYS 50 Ca -0.44 -0.06 0.03 0.00 -2.18 0.00 0.00 60.65 58.01 2uzg h LYS 50 Cb 1.19 -0.21 -0.04 0.00 -1.58 0.00 0.00 32.23 31.59 2uzg h LYS 50 CO 0.62 0.63 0.46 1.49 -1.08 0.00 0.00 179.45 181.57 2uzg h GLU 51 N 0.98 0.82 -0.19 3.15 4.81 -1.99 0.36 114.58 122.52 2uzg h GLU 51 Ca 0.32 -0.05 -0.17 0.00 -0.13 0.00 0.00 59.36 59.32 2uzg h GLU 51 Cb 0.02 -0.19 0.00 0.00 0.63 0.00 0.00 28.75 29.22 2uzg h GLU 51 CO -0.12 0.54 -0.56 -0.44 -0.73 0.00 0.00 179.01 177.71 2uzg h ASP 52 N 0.85 0.82 0.42 1.04 3.45 -1.72 -3.13 116.42 118.14 2uzg h ASP 52 Ca 0.28 -0.58 -0.14 0.00 0.43 0.00 0.00 57.03 57.02 2uzg h ASP 52 Cb 0.06 -0.24 -0.01 0.00 -0.56 0.00 0.00 39.33 38.58 2uzg h ASP 52 CO -0.08 1.26 -0.59 -0.07 -1.57 0.00 0.00 179.24 178.20 2uzg h LEU 53 N 0.43 0.19 -0.37 1.55 3.38 -0.74 -3.03 115.31 116.71 2uzg h LEU 53 Ca -0.02 -0.11 0.03 0.00 0.09 0.00 0.00 57.88 57.87 2uzg h LEU 53 Cb 1.18 -0.06 -0.03 0.00 0.09 0.00 0.00 40.66 41.84 2uzg h LEU 53 CO 0.12 0.73 0.19 0.40 0.09 0.00 0.00 178.44 179.98 2uzg h ILE 54 N 0.13 0.99 -0.71 1.22 2.04 -0.28 0.67 117.51 121.57 2uzg h ILE 54 Ca -0.00 -0.14 -0.05 0.00 1.00 0.00 0.00 64.86 65.67 2uzg h ILE 54 Cb 1.07 0.56 -0.03 0.00 -0.74 0.00 0.00 36.82 37.68 2uzg h ILE 54 CO 0.09 0.07 0.23 -0.61 0.00 0.00 0.00 178.15 177.93 2uzg h GLN 55 N 0.40 1.09 -0.10 2.37 4.15 -1.53 -2.13 115.11 119.36 2uzg h GLN 55 Ca 0.16 -0.23 -0.11 0.00 0.77 0.00 0.00 58.65 59.24 2uzg h GLN 55 Cb 0.05 -0.16 -0.01 0.00 0.21 0.00 0.00 27.48 27.57 2uzg h GLN 55 CO -0.10 0.93 -0.42 0.87 -1.93 0.00 0.00 178.83 178.17 2uzg h LYS 56 N 1.03 0.22 0.00 1.69 1.57 -1.30 -2.41 116.57 117.37 2uzg h LYS 56 Ca 0.23 -0.10 0.00 0.00 -1.87 0.00 0.00 60.65 58.91 2uzg h LYS 56 Cb 0.28 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.59 2uzg h LYS 56 CO -0.01 0.60 0.00 -1.13 -0.57 0.00 0.00 179.45 178.34 2uzg n SER 57 N -4.02 0.36 0.30 0.86 3.41 0.23 -2.96 113.62 111.80 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 -0.66 1.02 0.00 -0.26 0.00 0.00 64.21 64.79 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 -0.85 1.04 3.38 -0.89 -3.46 115.31 114.53 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 0.38 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.13 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 0.58 3.02 0.83 0.00 -1.15 -4.79 105.19 102.80 2uzg n GLY 59 Ca -0.02 -0.25 -0.13 0.00 0.00 0.00 0.00 46.02 45.63 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 -2.06 -0.01 0.16 2.61 -4.23 -1.26 -0.00 115.64 110.84 2uzg s THR 60 Ca 0.00 0.03 -0.19 0.00 -1.18 0.00 0.00 61.69 60.35 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 3.91 0.55 0.17 0.00 4.15 -1.59 -3.36 115.11 118.94 2uzg h GLN 62 Ca -0.48 -0.67 -0.01 0.00 0.77 0.00 0.00 58.65 58.25 2uzg h GLN 62 Cb 1.20 0.21 0.00 0.00 0.21 0.00 0.00 27.48 29.10 2uzg h GLN 62 CO 0.65 1.28 -0.08 -0.44 -1.93 0.00 0.00 178.83 178.30 2uzg h ASP 63 N 0.12 -0.20 -1.31 -0.69 3.45 -1.94 -3.47 116.42 112.38 2uzg h ASP 63 Ca -0.14 -0.32 -0.60 0.00 0.43 0.00 0.00 57.03 56.40 2uzg h ASP 63 Cb 1.67 0.05 -0.10 0.00 -0.56 0.00 0.00 39.33 40.39 2uzg h ASP 63 CO 0.19 0.26 -0.51 0.00 -1.57 0.00 0.00 179.24 177.61 2uzg n LYS 65 N -1.22 4.12 -4.40 0.00 4.81 -1.26 -3.84 118.16 116.37 2uzg n LYS 65 Ca -0.05 -4.44 -0.29 0.00 -0.87 0.00 0.00 58.31 52.65 2uzg n LYS 65 Cb 0.66 -2.56 -0.12 0.00 0.02 0.00 0.00 35.03 33.02 2uzg n LYS 65 CO 0.00 0.00 0.00 0.54 1.17 0.00 0.00 177.40 179.11 2uzg s VAL 66 N -2.02 2.56 0.04 3.15 0.11 -1.26 -4.98 120.40 118.00 2uzg s VAL 66 Ca 0.32 -1.58 -0.10 0.00 -2.93 0.00 0.00 61.98 57.70 2uzg s VAL 66 Cb 0.00 -2.14 -0.05 0.00 -1.53 0.00 0.00 36.38 32.66 2uzg s VAL 66 CO 0.04 0.13 0.36 -1.10 -3.33 0.00 0.00 175.10 171.20 2uzg s GLN 67 N -2.00 3.72 0.00 1.54 -0.21 -1.26 -2.53 119.66 118.93 2uzg s GLN 67 Ca 0.16 0.13 0.00 0.00 0.02 0.00 0.00 55.36 55.67 2uzg s GLN 67 Cb -0.10 -3.05 0.00 0.00 1.00 0.00 0.00 33.01 30.85 2uzg s GLN 67 CO 0.08 0.61 0.00 0.41 -2.12 0.00 0.00 175.29 174.26 2uzg n GLY 68 N 1.12 -0.87 0.21 3.09 0.00 1.00 -4.84 105.19 104.90 2uzg n GLY 68 Ca -0.10 -0.88 -0.13 0.00 0.00 0.00 0.00 46.02 44.92 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 -5.81 1.61 0.13 -1.95 -3.49 132.00 123.18 2uzg h PRO 69 Ca 0.00 -0.33 -0.68 0.00 -0.87 0.00 0.00 66.00 64.12 2uzg h PRO 69 Cb 0.00 -0.00 -0.04 0.00 0.13 0.00 0.00 31.00 31.09 2uzg h PRO 69 CO 0.00 0.94 1.44 0.09 -0.23 0.00 0.00 178.00 180.24 2uzg n ASN 70 N -4.31 1.20 -3.68 1.44 4.13 -1.26 -4.67 115.26 108.12 2uzg n ASN 70 Ca -0.03 0.45 -0.14 0.00 1.68 0.00 0.00 54.58 56.53 2uzg n ASN 70 Cb 0.43 -1.06 -0.08 0.00 -1.54 0.00 0.00 39.78 37.53 2uzg n ASN 70 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 2uzg s LEU 71 N 7.26 0.10 0.06 3.41 1.43 -1.26 -4.83 118.68 124.84 2uzg s LEU 71 Ca 1.18 0.72 0.06 0.00 -1.03 0.00 0.00 54.13 55.06 2uzg s LEU 71 Cb -1.18 1.80 -0.04 0.00 0.03 0.00 0.00 46.19 46.80 2uzg s LEU 71 CO 0.56 -0.34 -0.09 0.26 0.23 0.00 0.00 176.35 176.96 2uzg s TRP 72 N -0.46 2.79 0.03 0.29 0.52 0.16 -1.26 118.94 121.00 2uzg s TRP 72 Ca -0.06 -0.12 0.05 0.00 0.02 0.00 0.00 56.10 56.00 2uzg s TRP 72 Cb -0.03 -1.51 -0.02 0.00 -1.15 0.00 0.00 33.47 30.76 2uzg s TRP 72 CO 0.04 0.39 -0.15 0.00 0.02 0.00 0.00 176.95 177.24 2uzg s ALA 73 N -1.11 1.29 0.25 0.98 0.00 -0.60 -0.45 121.76 122.12 2uzg s ALA 73 Ca 0.19 -0.83 -0.31 0.00 0.00 0.00 0.00 51.96 51.01 2uzg s ALA 73 Cb -0.11 -0.24 -0.13 0.00 0.00 0.00 0.00 23.12 22.64 2uzg s ALA 73 CO 0.11 0.27 1.49 0.00 0.00 0.00 0.00 175.76 177.63 2uzg h LEU 75 N 4.64 0.00 -9.41 0.00 5.85 -1.67 -3.44 115.31 111.28 2uzg h LEU 75 Ca -0.45 -0.04 -0.62 0.00 0.84 0.00 0.00 57.88 57.61 2uzg h LEU 75 Cb 1.26 0.00 0.05 0.00 0.37 0.00 0.00 40.66 42.34 2uzg h LEU 75 CO 0.79 0.02 0.77 1.21 -0.34 0.00 0.00 178.44 180.89 2uzg n GLU 76 N -2.65 1.89 -0.14 1.25 0.00 -1.26 -4.38 120.64 115.34 2uzg n GLU 76 Ca 0.03 0.68 -0.02 0.00 0.00 0.00 0.00 57.16 57.85 2uzg n GLU 76 Cb 0.50 -2.43 0.20 0.00 0.00 0.00 0.00 31.44 29.72 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 6.13 0.79 1.72 4.31 -1.24 -1.82 -2.33 115.58 123.14 2uzg h ASN 77 Ca -0.46 -0.12 -0.05 0.00 0.71 0.00 0.00 56.30 56.38 2uzg h ASN 77 Cb 1.28 -0.20 -0.01 0.00 0.73 0.00 0.00 38.32 40.12 2uzg h ASN 77 CO 0.87 0.73 -0.28 -0.09 -1.29 0.00 0.00 177.43 177.38 2uzg h ARG 78 N 0.83 0.00 -5.88 6.67 2.43 -1.92 -3.45 114.38 113.06 2uzg h ARG 78 Ca 0.19 0.00 -0.63 0.00 -0.81 0.00 0.00 59.98 58.73 2uzg h ARG 78 Cb 0.22 0.00 -0.05 0.00 -0.42 0.00 0.00 29.97 29.72 2uzg h ARG 78 CO -0.01 0.23 -0.51 0.00 -1.51 0.00 0.00 179.97 178.17 2uzg n SER 80 N 0.69 -0.30 -4.62 0.00 2.88 -1.26 -4.48 113.62 106.53 2uzg n SER 80 Ca -0.09 -3.06 -0.30 0.00 -1.33 0.00 0.00 58.87 54.09 2uzg n SER 80 Cb 0.52 0.06 -0.09 0.00 -0.75 0.00 0.00 64.21 63.95 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 -1.27 2.87 -0.16 0.66 1.51 -1.26 -5.00 117.35 114.70 2uzg s TYR 81 Ca 0.35 -0.08 -0.04 0.00 -1.01 0.00 0.00 57.07 56.29 2uzg s TYR 81 Cb 0.27 -1.52 -0.03 0.00 -0.11 0.00 0.00 41.96 40.58 2uzg s TYR 81 CO -0.10 0.44 -0.04 0.08 -1.11 0.00 0.00 175.55 174.82 2uzg s VAL 82 N -1.20 3.89 0.08 0.71 1.01 -1.26 -1.56 120.40 122.07 2uzg s VAL 82 Ca 0.22 -0.36 -0.03 0.00 0.00 0.00 0.00 61.98 61.81 2uzg s VAL 82 Cb -0.11 -2.71 -0.03 0.00 0.00 0.00 0.00 36.38 33.53 2uzg s VAL 82 CO 0.14 0.49 0.06 -0.83 0.00 0.00 0.00 175.10 174.96 2uzg s GLY 83 N 0.39 0.50 -0.05 4.51 0.00 0.41 -1.34 107.32 111.74 2uzg s GLY 83 Ca -0.04 -1.12 -0.03 0.00 0.00 0.00 0.00 44.72 43.54 2uzg s GLY 83 CO 0.03 -1.19 0.09 0.00 0.00 0.00 0.00 173.10 172.03 2uzg n GLY 85 N 1.58 -2.42 0.33 0.00 0.00 -1.26 0.66 105.19 104.09 2uzg n GLY 85 Ca -0.16 -1.45 0.22 0.00 0.00 0.00 0.00 46.02 44.63 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 0.41 114.58 119.51 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 -2.00 -3.38 113.55 110.09 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 0.04 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.00 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 -2.84 0.00 -0.44 2.24 1.13 -0.48 -4.99 117.38 111.99 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 -2.46 0.00 -2.81 5.09 0.31 -0.97 -5.00 118.33 112.50 2uzg n VAL 89 Ca 0.00 0.00 -0.14 0.00 -0.01 0.00 0.00 64.34 64.19 2uzg n VAL 89 Cb 0.00 0.34 -0.01 0.00 -0.91 0.00 0.00 33.84 33.26 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 -3.00 -0.20 4.52 2.03 0.13 -4.78 116.55 115.25 2uzg n ASP 90 Ca 0.00 0.05 0.14 0.00 0.52 0.00 0.00 54.79 55.50 2uzg n ASP 90 Cb 0.61 -2.57 0.46 0.00 -0.72 0.00 0.00 41.12 38.90 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 -0.31 0.59 -0.98 -0.67 3.86 0.06 0.96 115.15 118.65 2uzg h HIS 91 Ca -0.27 0.02 0.04 0.00 -1.16 0.00 0.00 60.37 59.00 2uzg h HIS 91 Cb 1.19 -0.19 -0.06 0.00 1.06 0.00 0.00 27.41 29.41 2uzg h HIS 91 CO 0.74 0.23 0.65 1.03 0.86 0.00 0.00 177.93 181.43 2uzg h SER 92 N 0.51 1.07 -0.16 2.45 0.87 -1.62 0.12 113.55 116.78 2uzg h SER 92 Ca 0.39 -0.01 -0.08 0.00 -1.23 0.00 0.00 61.79 60.87 2uzg h SER 92 Cb 0.80 -0.25 -0.00 0.00 -0.44 0.00 0.00 62.40 62.51 2uzg h SER 92 CO -0.14 0.73 -0.20 0.74 -0.53 0.00 0.00 176.83 177.42 2uzg h THR 93 N 1.24 1.35 -0.01 2.23 2.02 -1.12 -1.10 112.91 117.52 2uzg h THR 93 Ca 0.39 -1.40 0.02 0.00 0.77 0.00 0.00 66.41 66.19 2uzg h THR 93 Cb 0.01 1.89 -0.02 0.00 -1.74 0.00 0.00 68.15 68.29 2uzg h THR 93 CO -0.12 0.42 -0.07 0.40 0.37 0.00 0.00 175.52 176.51 2uzg h ILE 94 N 0.06 0.80 -0.79 3.11 2.04 -0.86 -1.37 117.51 120.50 2uzg h ILE 94 Ca 0.02 0.00 0.02 0.00 1.00 0.00 0.00 64.86 65.90 2uzg h ILE 94 Cb 0.76 0.80 -0.04 0.00 -0.74 0.00 0.00 36.82 37.60 2uzg h ILE 94 CO 0.05 0.00 0.52 -0.74 0.00 0.00 0.00 178.15 177.98 2uzg h HIS 95 N -0.13 0.97 -0.77 1.37 2.76 -0.81 -1.08 115.15 117.46 2uzg h HIS 95 Ca 0.03 0.02 0.04 0.00 -2.20 0.00 0.00 60.37 58.27 2uzg h HIS 95 Cb 0.17 -0.33 -0.05 0.00 1.55 0.00 0.00 27.41 28.75 2uzg h HIS 95 CO -0.15 0.59 0.48 1.03 -1.30 0.00 0.00 177.93 178.59 2uzg h SER 96 N 1.03 0.77 -0.04 3.26 0.87 -0.30 -1.85 113.55 117.29 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 -0.06 -0.16 -0.00 0.00 -0.44 0.00 0.00 62.40 61.74 2uzg h SER 96 CO -0.07 0.52 -0.06 1.56 -0.53 0.00 0.00 176.83 178.25 2uzg h GLN 97 N 0.91 0.11 -0.60 2.24 7.50 -0.45 0.85 115.11 125.66 2uzg h GLN 97 Ca 0.32 -0.06 0.13 0.00 0.50 0.00 0.00 58.65 59.53 2uzg h GLN 97 Cb 0.08 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 -0.48 1.46 5.08 -0.97 -1.70 114.58 117.67 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 0.00 179.01 178.33 2uzg n THR 99 N -5.31 1.27 -1.72 1.13 -2.24 -0.72 -4.94 114.28 101.73 2uzg n THR 99 Ca 0.08 -1.12 -0.19 0.00 -2.27 0.00 0.00 64.05 60.55 2uzg n THR 99 Cb 0.34 0.36 -0.06 0.00 -2.10 0.00 0.00 70.33 68.87 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 0.79 -1.50 -2.82 -0.78 4.76 0.19 -4.90 118.16 113.91 2uzg n LYS 100 Ca 0.18 1.06 -0.43 0.00 -2.87 0.00 0.00 58.31 56.25 2uzg n LYS 100 Cb 0.60 -5.47 -0.03 0.00 -1.84 0.00 0.00 35.03 28.29 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 -2.65 2.74 -0.55 2.13 3.76 0.24 -4.86 115.29 116.09 2uzg s HIS 101 Ca 0.00 -0.76 0.05 0.00 -0.15 0.00 0.00 55.06 54.20 2uzg s HIS 101 Cb 0.00 -4.37 0.32 0.00 1.11 0.00 0.00 32.58 29.65 2uzg s HIS 101 CO 0.00 -1.68 1.12 0.66 -0.85 0.00 0.00 174.74 173.99 2uzg n TYR 102 N 7.68 0.97 -4.00 1.40 4.02 -1.26 -4.05 117.16 121.92 2uzg n TYR 102 Ca 0.08 -0.51 -0.30 0.00 -0.01 0.00 0.00 57.90 57.16 2uzg n TYR 102 Cb 0.47 -0.34 -0.16 0.00 -0.02 0.00 0.00 39.34 39.29 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 -1.20 1.94 -0.03 7.72 2.01 -1.26 -0.91 118.68 126.95 2uzg s LEU 103 Ca 0.23 -0.67 0.01 0.00 0.01 0.00 0.00 54.13 53.71 2uzg s LEU 103 Cb 0.18 -1.19 0.01 0.00 0.01 0.00 0.00 46.19 45.20 2uzg s LEU 103 CO 0.06 -0.10 -0.05 0.28 1.01 0.00 0.00 176.35 177.55 2uzg s THR 104 N 1.45 0.48 -0.18 5.49 -1.32 -0.81 -1.77 115.64 118.98 2uzg s THR 104 Ca 0.02 -0.15 0.01 0.00 -1.21 0.00 0.00 61.69 60.36 2uzg s THR 104 Cb -0.14 -0.48 0.02 0.00 -1.51 0.00 0.00 72.50 70.39 2uzg s THR 104 CO -0.10 0.19 -0.19 0.54 -2.21 0.00 0.00 174.62 172.85 2uzg s VAL 105 N 0.55 2.01 -0.13 5.08 0.11 -0.67 0.27 120.40 127.62 2uzg s VAL 105 Ca -0.07 -0.91 -0.29 0.00 -2.93 0.00 0.00 61.98 57.78 2uzg s VAL 105 Cb -0.10 -1.82 -0.02 0.00 -1.53 0.00 0.00 36.38 32.90 2uzg s VAL 105 CO -0.00 0.53 1.27 0.54 -3.33 0.00 0.00 175.10 174.12 2uzg s ASN 106 N 1.31 6.95 0.19 3.54 2.20 0.05 -1.56 114.94 127.61 2uzg s ASN 106 Ca 0.05 1.76 0.23 0.00 -0.94 0.00 0.00 52.86 53.95 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 -0.13 -0.73 1.69 0.18 -2.94 0.00 0.00 177.10 175.17 2uzg n LEU 107 N 6.32 0.54 0.06 3.54 4.77 -0.39 0.41 117.00 132.25 2uzg n LEU 107 Ca 0.13 0.61 -0.11 0.00 -0.03 0.00 0.00 56.01 56.62 2uzg n LEU 107 Cb 0.45 -0.51 -0.13 0.00 -2.33 0.00 0.00 43.42 40.89 2uzg n LEU 107 CO 0.56 -0.41 -0.07 0.71 -1.33 0.00 0.00 177.39 176.85 2uzg h THR 108 N 0.00 1.46 -0.00 -5.08 1.35 -1.83 -3.36 112.91 105.45 2uzg h THR 108 Ca 0.00 -3.15 0.00 0.00 -0.55 0.00 0.00 66.41 62.71 2uzg h THR 108 Cb 0.41 2.80 0.00 0.00 -1.73 0.00 0.00 68.15 69.63 2uzg h THR 108 CO 0.00 0.87 -0.28 0.41 -0.25 0.00 0.00 175.52 176.27 2uzg n THR 109 N -3.36 0.00 -2.43 6.82 -1.04 -1.14 -5.00 114.28 108.13 2uzg n THR 109 Ca -0.07 -0.36 -0.18 0.00 -2.04 0.00 0.00 64.05 61.40 2uzg n THR 109 Cb 0.99 1.01 -0.00 0.00 -1.82 0.00 0.00 70.33 70.51 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 -1.06 -1.93 -4.57 -4.42 4.77 0.17 -5.00 117.00 104.96 2uzg n LEU 110 Ca 0.01 -0.05 -0.27 0.00 -0.03 0.00 0.00 56.01 55.67 2uzg n LEU 110 Cb 0.10 -2.62 -0.09 0.00 -2.33 0.00 0.00 43.42 38.48 2uzg n LEU 110 CO 0.12 -0.13 -0.42 -0.13 -1.33 0.00 0.00 177.39 175.50 2uzg s ARG 111 N -4.99 2.06 0.10 3.23 1.81 -1.16 -4.94 118.95 115.05 2uzg s ARG 111 Ca 0.04 -1.21 0.06 0.00 -1.72 0.00 0.00 55.73 52.90 2uzg s ARG 111 Cb -0.02 -2.19 -0.04 0.00 -0.45 0.00 0.00 34.95 32.25 2uzg s ARG 111 CO 0.05 0.45 -0.06 0.08 -0.68 0.00 0.00 175.30 175.13 2uzg s VAL 112 N -1.58 3.59 -0.00 3.52 1.01 -1.25 -0.77 120.40 124.92 2uzg s VAL 112 Ca 0.24 -1.18 0.04 0.00 0.00 0.00 0.00 61.98 61.08 2uzg s VAL 112 Cb -0.09 -2.70 -0.01 0.00 0.00 0.00 0.00 36.38 33.58 2uzg s VAL 112 CO 0.15 0.11 -0.12 0.86 0.00 0.00 0.00 175.10 176.09 2uzg s TRP 113 N -1.26 1.11 -0.32 5.22 -0.11 0.14 -1.91 118.94 121.81 2uzg s TRP 113 Ca 0.23 -0.23 -0.04 0.00 1.22 0.00 0.00 56.10 57.28 2uzg s TRP 113 Cb -0.11 -0.70 0.04 0.00 -1.50 0.00 0.00 33.47 31.20 2uzg s TRP 113 CO 0.15 -0.01 0.04 0.00 -4.62 0.00 0.00 176.95 172.52 2uzg h TYR 115 N 8.09 1.07 0.27 0.00 0.99 -1.29 0.14 116.97 126.24 2uzg h TYR 115 Ca -0.22 -0.30 -0.01 0.00 2.00 0.00 0.00 58.73 60.20 2uzg h TYR 115 Cb 1.07 -0.23 0.00 0.00 1.00 0.00 0.00 36.73 38.57 2uzg h TYR 115 CO 0.61 1.11 -0.13 0.00 -0.00 0.00 0.00 178.16 179.75 2uzg h ALA 116 N 0.79 -0.36 -0.00 3.88 0.00 -1.94 -2.66 119.26 118.96 2uzg h ALA 116 Ca 0.07 -0.08 -0.11 0.00 0.00 0.00 0.00 54.91 54.80 2uzg h ALA 116 Cb 0.89 0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.80 2uzg h ALA 116 CO 0.08 -0.70 -0.51 0.00 0.00 0.00 0.00 179.25 178.12 2uzg n SER 118 N -3.93 -2.06 -3.61 0.00 2.88 0.40 -5.06 113.62 102.24 2uzg n SER 118 Ca -0.01 -0.07 -0.01 0.00 -1.33 0.00 0.00 58.87 57.44 2uzg n SER 118 Cb 0.53 -1.05 -0.01 0.00 -0.75 0.00 0.00 64.21 62.92 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 -4.26 0.26 0.40 -1.46 0.00 -0.70 -5.03 119.74 108.94 2uzg s LYS 119 Ca 0.01 -0.12 -0.25 0.00 0.00 0.00 0.00 55.97 55.61 2uzg s LYS 119 Cb -0.00 0.10 -0.09 0.00 0.00 0.00 0.00 37.83 37.84 2uzg s LYS 119 CO 0.09 -0.11 1.11 -1.83 0.00 0.00 0.00 175.35 174.61 2uzg s GLU 120 N -2.31 4.12 0.09 1.78 -1.05 -1.26 -0.94 118.70 119.12 2uzg s GLU 120 Ca 0.12 1.69 0.02 0.00 -0.15 0.00 0.00 54.97 56.64 2uzg s GLU 120 Cb 0.02 -2.63 -0.04 0.00 -0.44 0.00 0.00 34.13 31.03 2uzg s GLU 120 CO -0.04 -0.23 -0.06 0.14 0.95 0.00 0.00 175.26 176.02 2uzg s VAL 121 N -1.51 0.65 -0.10 1.83 -7.23 -0.80 -4.83 120.40 108.40 2uzg s VAL 121 Ca 0.57 -1.87 0.03 0.00 -1.81 0.00 0.00 61.98 58.90 2uzg s VAL 121 Cb -0.27 -1.60 0.01 0.00 0.56 0.00 0.00 36.38 35.08 2uzg s VAL 121 CO 0.34 -0.85 -0.18 0.72 -0.31 0.00 0.00 175.10 174.81 2uzg s PHE 122 N -3.49 2.15 0.27 2.82 -0.12 -1.26 -3.78 117.98 114.56 2uzg s PHE 122 Ca 0.10 -0.95 0.06 0.00 -0.05 0.00 0.00 56.93 56.10 2uzg s PHE 122 Cb 0.04 -1.49 -0.03 0.00 -0.63 0.00 0.00 43.02 40.91 2uzg s PHE 122 CO -0.05 -0.44 0.32 -0.48 -0.05 0.00 0.00 175.22 174.52 2uzg s LEU 123 N 0.70 4.03 0.27 -1.99 0.05 -1.26 -5.06 118.68 115.42 2uzg s LEU 123 Ca -0.12 -0.13 -0.01 0.00 0.05 0.00 0.00 54.13 53.92 2uzg s LEU 123 Cb -0.16 -2.61 -0.02 0.00 -2.05 0.00 0.00 46.19 41.35 2uzg s LEU 123 CO 0.03 -0.15 0.29 -0.62 -0.55 0.00 0.00 176.35 175.35 2uzg s ASP 124 N -3.97 0.70 0.49 1.48 -1.08 -1.26 -5.03 116.67 107.99 2uzg s ASP 124 Ca 0.36 -1.45 0.14 0.00 -0.52 0.00 0.00 52.55 51.08 2uzg s ASP 124 Cb -0.08 0.52 1.15 0.00 -1.46 0.00 0.00 42.92 43.04 2uzg s ASP 124 CO 0.28 -1.04 2.11 0.03 0.52 0.00 0.00 175.17 177.07 2uzg h ARG 125 N 2.33 0.17 -0.24 4.34 2.47 -2.01 -3.43 114.38 118.01 2uzg h ARG 125 Ca -0.30 -0.01 0.26 0.00 -1.26 0.00 0.00 59.98 58.67 2uzg h ARG 125 Cb 1.24 -0.04 -0.24 0.00 -1.65 0.00 0.00 29.97 29.29 2uzg h ARG 125 CO 0.43 0.11 0.35 0.21 0.56 0.00 0.00 179.97 181.63 2uzg s LYS 126 N -5.20 0.09 0.00 0.04 2.47 -1.26 -5.04 119.74 110.84 2uzg s LYS 126 Ca -0.06 0.20 0.00 0.00 -1.56 0.00 0.00 55.97 54.55 2uzg s LYS 126 Cb 0.17 0.12 0.00 0.00 -1.46 0.00 0.00 37.83 36.66 2uzg s LYS 126 CO 0.69 -0.07 0.00 1.28 0.16 0.00 0.00 175.35 177.42 2uzg n LEU 127 N 5.07 0.00 -0.89 5.43 4.77 -1.26 -4.64 117.00 125.48 2uzg n LEU 127 Ca -0.08 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.90 2uzg n LEU 127 Cb 0.55 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.64 2uzg n LEU 127 CO -0.09 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 176.58 2uzg n GLY 128 N 0.00 0.48 0.04 -0.72 0.00 -1.26 -4.75 105.19 98.98 2uzg n GLY 128 Ca 0.00 -0.46 0.00 0.00 0.00 0.00 0.00 46.02 45.56 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 -0.72 0.00 -0.11 2.61 -2.24 -1.26 -5.09 114.28 107.47 2uzg n THR 129 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 2uzg n THR 129 Cb 0.30 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.53 2uzg n THR 129 CO 0.00 0.00 0.00 1.67 -0.57 0.00 0.00 175.07 176.17