#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 4.17 0.98 0.55 3.84 -1.26 -5.13 114.94 118.09 2uzg s ASN 37 Ca 0.00 -0.53 -0.13 0.00 0.21 0.00 0.00 52.86 52.41 2uzg s ASN 37 Cb 0.00 -0.69 0.18 0.00 -0.55 0.00 0.00 41.25 40.19 2uzg s ASN 37 CO 0.00 0.15 1.12 -2.28 -2.79 0.00 0.00 177.10 173.30 2uzg s HIS 38 N -1.41 2.11 0.10 0.43 2.46 -1.26 -5.00 115.29 112.73 2uzg s HIS 38 Ca 0.22 0.86 -0.30 0.00 0.47 0.00 0.00 55.06 56.31 2uzg s HIS 38 Cb -0.10 -3.36 -0.06 0.00 -0.13 0.00 0.00 32.58 28.93 2uzg s HIS 38 CO 0.13 -2.78 1.04 0.00 -2.47 0.00 0.00 174.74 170.66 2uzg h PRO 40 N 5.85 0.56 -0.51 0.00 0.13 -1.96 -1.23 132.00 134.84 2uzg h PRO 40 Ca -0.43 -0.27 0.09 0.00 -0.87 0.00 0.00 66.00 64.52 2uzg h PRO 40 Cb 1.21 -0.00 -0.10 0.00 0.13 0.00 0.00 31.00 32.24 2uzg h PRO 40 CO 0.74 0.85 -0.37 0.45 -0.23 0.00 0.00 178.00 179.44 2uzg h HIS 41 N 0.27 -1.05 -0.00 1.56 3.86 -1.99 0.18 115.15 117.98 2uzg h HIS 41 Ca 0.05 0.07 -0.23 0.00 -1.16 0.00 0.00 60.37 59.10 2uzg h HIS 41 Cb 0.72 0.53 0.01 0.00 1.06 0.00 0.00 27.41 29.73 2uzg h HIS 41 CO 0.07 -0.40 -0.95 1.37 0.86 0.00 0.00 177.93 178.88 2uzg h LEU 42 N -0.23 0.59 -2.75 2.43 8.10 -1.92 -3.11 115.31 118.42 2uzg h LEU 42 Ca 0.19 -0.47 0.00 0.00 0.11 0.00 0.00 57.88 57.71 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 1.27 0.02 -0.78 -4.11 0.00 0.00 178.44 174.21 2uzg h ASP 43 N 0.26 0.00 0.13 0.17 3.58 -0.21 -2.35 116.42 118.00 2uzg h ASP 43 Ca -0.09 0.00 -0.28 0.00 0.42 0.00 0.00 57.03 57.08 2uzg h ASP 43 Cb 1.59 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.64 2uzg h ASP 43 CO 0.17 0.00 -1.42 0.77 -2.88 0.00 0.00 179.24 175.88 2uzg h SER 44 N 0.00 0.44 -4.26 2.28 4.64 -0.62 -3.47 113.55 112.56 2uzg h SER 44 Ca 0.00 -0.88 -0.50 0.00 -0.47 0.00 0.00 61.79 59.95 2uzg h SER 44 Cb 0.04 -0.14 0.06 0.00 -0.31 0.00 0.00 62.40 62.05 2uzg h SER 44 CO -0.00 1.63 0.38 0.68 -0.87 0.00 0.00 176.83 178.65 2uzg s VAL 45 N -2.49 4.11 0.18 0.95 -7.23 -0.89 -4.96 120.40 110.07 2uzg s VAL 45 Ca -0.18 0.86 0.07 0.00 -1.81 0.00 0.00 61.98 60.92 2uzg s VAL 45 Cb 0.04 -3.50 -0.04 0.00 0.56 0.00 0.00 36.38 33.44 2uzg s VAL 45 CO 0.79 -0.72 0.03 -0.83 -0.31 0.00 0.00 175.10 174.06 2uzg s GLY 46 N -3.31 1.71 0.72 2.32 0.00 -1.26 -4.87 107.32 102.64 2uzg s GLY 46 Ca 0.60 -1.37 -0.13 0.00 0.00 0.00 0.00 44.72 43.82 2uzg s GLY 46 CO 0.44 -1.39 1.12 1.85 0.00 0.00 0.00 173.10 175.11 2uzg s GLU 47 N -3.07 2.41 0.04 2.90 2.12 -1.26 -3.24 118.70 118.60 2uzg s GLU 47 Ca 0.29 1.36 -0.01 0.00 0.36 0.00 0.00 54.97 56.97 2uzg s GLU 47 Cb -0.09 -1.90 -0.04 0.00 0.26 0.00 0.00 34.13 32.36 2uzg s GLU 47 CO 0.20 -1.55 0.20 0.42 -0.54 0.00 0.00 175.26 173.98 2uzg s ILE 48 N -2.52 5.39 0.68 -3.70 1.01 -1.26 -4.84 121.20 115.95 2uzg s ILE 48 Ca 0.66 -0.32 -0.11 0.00 0.00 0.00 0.00 60.65 60.87 2uzg s ILE 48 Cb -0.20 -3.59 -0.00 0.00 0.01 0.00 0.00 42.46 38.67 2uzg s ILE 48 CO 0.48 0.20 1.05 0.42 0.00 0.00 0.00 174.94 177.09 2uzg s THR 49 N -1.45 4.17 0.48 2.92 -4.23 -1.26 -4.88 115.64 111.38 2uzg s THR 49 Ca 0.32 0.70 0.15 0.00 -1.18 0.00 0.00 61.69 61.69 2uzg s THR 49 Cb -0.13 -3.54 0.22 0.00 1.34 0.00 0.00 72.50 70.39 2uzg s THR 49 CO 0.25 -0.92 2.06 0.11 -0.54 0.00 0.00 174.62 175.58 2uzg h LYS 50 N -0.61 0.03 -0.27 3.99 1.79 -1.99 -1.46 116.57 118.05 2uzg h LYS 50 Ca -0.44 -0.00 -0.01 0.00 -2.18 0.00 0.00 60.65 58.02 2uzg h LYS 50 Cb 1.21 -0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.84 2uzg h LYS 50 CO 0.59 0.11 0.13 1.49 -1.08 0.00 0.00 179.45 180.70 2uzg h GLU 51 N 0.03 0.39 -0.12 3.15 4.57 -2.00 0.35 114.58 120.95 2uzg h GLU 51 Ca 0.01 -0.06 -0.18 0.00 -1.18 0.00 0.00 59.36 57.95 2uzg h GLU 51 Cb 0.17 -0.07 -0.00 0.00 -0.16 0.00 0.00 28.75 28.68 2uzg h GLU 51 CO 0.01 0.38 -0.67 -0.44 -1.18 0.00 0.00 179.01 177.11 2uzg h ASP 52 N 0.31 0.56 0.42 1.04 3.45 -1.85 -3.14 116.42 117.20 2uzg h ASP 52 Ca 0.09 -0.34 -0.13 0.00 0.43 0.00 0.00 57.03 57.08 2uzg h ASP 52 Cb 0.11 -0.16 -0.01 0.00 -0.56 0.00 0.00 39.33 38.71 2uzg h ASP 52 CO -0.01 1.07 -0.57 -0.07 -1.57 0.00 0.00 179.24 178.09 2uzg h LEU 53 N 0.34 0.18 -0.85 1.55 3.38 -1.10 -3.13 115.31 115.69 2uzg h LEU 53 Ca -0.02 -0.10 0.13 0.00 0.09 0.00 0.00 57.88 57.98 2uzg h LEU 53 Cb 1.24 -0.05 -0.09 0.00 0.09 0.00 0.00 40.66 41.85 2uzg h LEU 53 CO 0.12 0.71 0.46 -0.29 0.09 0.00 0.00 178.44 179.53 2uzg h ILE 54 N 0.12 0.80 -0.43 1.22 6.09 -0.25 0.91 117.51 125.97 2uzg h ILE 54 Ca -0.00 -0.24 -0.13 0.00 -1.37 0.00 0.00 64.86 63.12 2uzg h ILE 54 Cb 1.04 0.04 -0.01 0.00 0.47 0.00 0.00 36.82 38.36 2uzg h ILE 54 CO 0.08 0.13 -0.23 1.56 -3.07 0.00 0.00 178.15 176.62 2uzg h GLN 55 N 0.70 0.92 -0.10 2.19 7.50 -1.64 -2.63 115.11 122.05 2uzg h GLN 55 Ca 0.44 -0.41 -0.11 0.00 0.50 0.00 0.00 58.65 59.07 2uzg h GLN 55 Cb 0.55 -0.02 -0.01 0.00 0.05 0.00 0.00 27.48 28.04 2uzg h GLN 55 CO -0.32 1.07 -0.43 0.87 -1.50 0.00 0.00 178.83 178.53 2uzg h LYS 56 N 0.75 0.22 0.00 1.46 1.57 -1.16 -2.47 116.57 116.94 2uzg h LYS 56 Ca 0.09 -0.11 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 2uzg h LYS 56 Cb 0.81 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.12 2uzg h LYS 56 CO 0.07 0.61 0.00 -1.13 -0.57 0.00 0.00 179.45 178.43 2uzg n SER 57 N -4.01 0.42 0.30 0.86 3.41 0.30 -2.94 113.62 111.95 2uzg n SER 57 Ca -0.02 0.58 0.20 0.00 -0.26 0.00 0.00 58.87 59.38 2uzg n SER 57 Cb 0.49 -0.68 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 -1.32 1.04 3.38 -1.08 -3.46 115.31 113.87 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 -0.87 0.51 3.02 0.83 0.00 -1.15 -4.78 105.19 102.75 2uzg n GLY 59 Ca -0.02 -0.32 -0.13 0.00 0.00 0.00 0.00 46.02 45.56 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 -2.29 -0.01 0.17 2.61 -4.23 -1.26 -0.01 115.64 110.61 2uzg s THR 60 Ca 0.00 0.02 -0.20 0.00 -1.18 0.00 0.00 61.69 60.34 2uzg s THR 60 Cb 0.00 -0.23 -0.08 0.00 1.34 0.00 0.00 72.50 73.54 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 3.87 0.00 0.00 0.00 4.15 -1.57 -3.36 115.11 118.20 2uzg h GLN 62 Ca -0.48 0.00 -0.17 0.00 0.77 0.00 0.00 58.65 58.76 2uzg h GLN 62 Cb 1.20 0.00 -0.03 0.00 0.21 0.00 0.00 27.48 28.86 2uzg h GLN 62 CO 0.65 0.69 -1.04 -0.44 -1.93 0.00 0.00 178.83 176.75 2uzg h ASP 63 N 0.00 0.00 -1.92 -0.69 3.32 -1.94 -3.49 116.42 111.69 2uzg h ASP 63 Ca -0.01 -0.42 0.00 0.00 0.02 0.00 0.00 57.03 56.63 2uzg h ASP 63 Cb 1.38 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.93 2uzg h ASP 63 CO 0.09 1.31 0.00 0.00 -1.72 0.00 0.00 179.24 178.92 2uzg n LYS 65 N -0.03 1.30 0.12 0.00 4.81 -1.26 -3.79 118.16 119.31 2uzg n LYS 65 Ca 0.00 -3.69 0.10 0.00 -0.87 0.00 0.00 58.31 53.85 2uzg n LYS 65 Cb 0.00 -1.55 0.02 0.00 0.02 0.00 0.00 35.03 33.52 2uzg n LYS 65 CO 0.00 0.00 0.00 -0.39 1.17 0.00 0.00 177.40 178.18 2uzg h VAL 66 N 2.38 0.07 -3.33 3.15 -1.51 -1.92 -3.49 116.25 111.60 2uzg h VAL 66 Ca 0.11 -1.13 0.00 0.00 -1.23 0.00 0.00 66.70 64.45 2uzg h VAL 66 Cb 0.81 1.65 0.00 0.00 -2.13 0.00 0.00 31.29 31.62 2uzg h VAL 66 CO 0.58 0.04 -0.79 0.00 -1.23 0.00 0.00 177.57 176.17 2uzg n GLN 67 N -2.78 -4.18 -0.14 5.19 6.02 -1.26 -4.99 117.38 115.24 2uzg n GLN 67 Ca -0.00 3.06 -0.04 0.00 -0.01 0.00 0.00 57.00 60.01 2uzg n GLN 67 Cb 0.58 -3.40 0.03 0.00 1.02 0.00 0.00 30.24 28.47 2uzg n GLN 67 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2uzg n GLY 68 N -0.19 -2.37 0.00 1.08 0.00 0.98 -4.92 105.19 99.77 2uzg n GLY 68 Ca 0.00 -1.47 0.00 0.00 0.00 0.00 0.00 46.02 44.55 2uzg n GLY 68 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2uzg n PRO 69 N -1.87 0.28 -2.49 1.61 -0.02 -1.26 -5.03 135.00 126.22 2uzg n PRO 69 Ca 0.02 0.00 -0.01 0.00 -2.02 0.00 0.00 63.50 61.49 2uzg n PRO 69 Cb 0.07 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.55 2uzg n PRO 69 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 2uzg n ASN 70 N -1.19 -5.81 -3.97 2.55 3.02 -1.26 -5.07 115.26 103.53 2uzg n ASN 70 Ca 0.00 0.03 -0.15 0.00 -0.03 0.00 0.00 54.58 54.43 2uzg n ASN 70 Cb 0.00 -3.83 -0.14 0.00 -0.61 0.00 0.00 39.78 35.20 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 -3.08 2.05 0.24 3.41 1.43 -1.26 -4.65 118.68 116.82 2uzg s LEU 71 Ca 0.03 -0.17 0.07 0.00 -1.03 0.00 0.00 54.13 53.04 2uzg s LEU 71 Cb -0.01 -0.22 -0.04 0.00 0.03 0.00 0.00 46.19 45.95 2uzg s LEU 71 CO 0.49 0.01 0.14 0.26 0.23 0.00 0.00 176.35 177.48 2uzg s TRP 72 N -0.34 3.02 0.00 0.29 0.52 0.30 -1.35 118.94 121.40 2uzg s TRP 72 Ca -0.00 -0.12 -0.00 0.00 0.02 0.00 0.00 56.10 55.99 2uzg s TRP 72 Cb -0.03 -1.37 -0.01 0.00 -1.15 0.00 0.00 33.47 30.91 2uzg s TRP 72 CO -0.00 0.54 0.00 0.00 0.02 0.00 0.00 176.95 177.51 2uzg s ALA 73 N -2.10 0.01 0.25 0.98 0.00 0.00 -1.44 121.76 119.46 2uzg s ALA 73 Ca 0.32 -0.16 -0.31 0.00 0.00 0.00 0.00 51.96 51.81 2uzg s ALA 73 Cb -0.08 0.04 -0.12 0.00 0.00 0.00 0.00 23.12 22.95 2uzg s ALA 73 CO 0.23 -0.06 1.61 0.00 0.00 0.00 0.00 175.76 177.55 2uzg h LEU 75 N 5.42 0.00 -9.23 0.00 5.85 -1.52 -3.45 115.31 112.38 2uzg h LEU 75 Ca -0.45 0.00 -0.65 0.00 0.84 0.00 0.00 57.88 57.62 2uzg h LEU 75 Cb 1.23 0.00 0.02 0.00 0.37 0.00 0.00 40.66 42.27 2uzg h LEU 75 CO 0.85 0.02 1.06 1.21 -0.34 0.00 0.00 178.44 181.24 2uzg n GLU 76 N -2.96 1.92 -0.12 1.25 4.07 -1.26 -4.04 120.64 119.50 2uzg n GLU 76 Ca 0.02 0.70 0.07 0.00 -0.06 0.00 0.00 57.16 57.89 2uzg n GLU 76 Cb 0.55 -2.52 0.39 0.00 -0.06 0.00 0.00 31.44 29.81 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 8.80 0.57 1.11 4.31 -1.24 -1.87 -1.12 115.58 126.14 2uzg h ASN 77 Ca -0.48 -0.00 -0.16 0.00 0.71 0.00 0.00 56.30 56.37 2uzg h ASN 77 Cb 1.28 -0.12 -0.02 0.00 0.73 0.00 0.00 38.32 40.19 2uzg h ASN 77 CO 0.95 0.38 -0.75 0.03 -1.29 0.00 0.00 177.43 176.75 2uzg h ARG 78 N 0.65 0.00 -6.22 6.67 2.47 -1.90 -3.45 114.38 112.60 2uzg h ARG 78 Ca 0.26 0.00 -0.57 0.00 -1.26 0.00 0.00 59.98 58.41 2uzg h ARG 78 Cb 0.22 0.00 -0.04 0.00 -1.65 0.00 0.00 29.97 28.50 2uzg h ARG 78 CO -0.08 0.75 -0.26 0.00 0.56 0.00 0.00 179.97 180.94 2uzg n SER 80 N 0.15 1.03 -4.90 0.00 3.41 -1.26 -4.55 113.62 107.50 2uzg n SER 80 Ca -0.02 -2.70 -0.33 0.00 -0.26 0.00 0.00 58.87 55.56 2uzg n SER 80 Cb 0.52 -0.35 -0.05 0.00 -0.26 0.00 0.00 64.21 64.07 2uzg n SER 80 CO 0.00 0.00 0.00 -0.31 -0.16 0.00 0.00 175.04 174.57 2uzg s TYR 81 N -2.72 3.55 -0.15 7.33 1.51 -1.26 -5.00 117.35 120.62 2uzg s TYR 81 Ca 0.27 0.40 -0.02 0.00 -1.01 0.00 0.00 57.07 56.71 2uzg s TYR 81 Cb 0.45 -1.86 -0.02 0.00 -0.11 0.00 0.00 41.96 40.42 2uzg s TYR 81 CO 0.02 0.63 -0.10 0.08 -1.11 0.00 0.00 175.55 175.07 2uzg s VAL 82 N -1.35 3.32 0.12 0.71 1.01 -1.26 -1.76 120.40 121.19 2uzg s VAL 82 Ca 0.28 -0.56 -0.02 0.00 0.00 0.00 0.00 61.98 61.68 2uzg s VAL 82 Cb -0.13 -2.42 -0.03 0.00 0.00 0.00 0.00 36.38 33.79 2uzg s VAL 82 CO 0.19 0.50 0.08 -0.83 0.00 0.00 0.00 175.10 175.05 2uzg s GLY 83 N 0.48 0.81 -0.09 4.51 0.00 -0.52 -1.28 107.32 111.22 2uzg s GLY 83 Ca -0.07 -1.32 -0.04 0.00 0.00 0.00 0.00 44.72 43.29 2uzg s GLY 83 CO 0.04 -1.26 0.07 0.00 0.00 0.00 0.00 173.10 171.95 2uzg n GLY 85 N 1.98 -3.12 0.23 0.00 0.00 -1.26 0.60 105.19 103.62 2uzg n GLY 85 Ca -0.19 -1.35 0.16 0.00 0.00 0.00 0.00 46.02 44.64 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 -0.00 -1.90 0.40 114.58 114.70 2uzg h GLU 86 Ca -0.05 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 59.31 2uzg h GLU 86 Cb 0.15 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 28.90 2uzg h GLU 86 CO 0.03 0.00 0.00 0.77 -0.00 0.00 0.00 179.01 179.81 2uzg h SER 87 N 0.00 0.00 0.00 3.06 0.02 -1.96 -3.38 113.55 111.29 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 0.14 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.68 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 -2.88 0.00 -0.35 3.45 1.13 -0.79 -4.99 117.38 112.96 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 -2.37 0.00 -2.88 5.09 0.31 -1.06 -5.00 118.33 112.42 2uzg n VAL 89 Ca 0.00 0.00 -0.15 0.00 -0.01 0.00 0.00 64.34 64.18 2uzg n VAL 89 Cb 0.00 0.53 -0.01 0.00 -0.91 0.00 0.00 33.84 33.46 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 -3.26 -0.26 4.52 4.64 0.14 -4.79 116.55 117.53 2uzg n ASP 90 Ca 0.00 -0.03 0.11 0.00 -1.38 0.00 0.00 54.79 53.49 2uzg n ASP 90 Cb 0.61 -2.77 0.36 0.00 -1.04 0.00 0.00 41.12 38.29 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 -0.41 0.83 -0.62 -0.67 3.86 0.01 0.93 115.15 119.08 2uzg h HIS 91 Ca -0.31 0.02 -0.00 0.00 -1.16 0.00 0.00 60.37 58.93 2uzg h HIS 91 Cb 1.21 -0.26 -0.03 0.00 1.06 0.00 0.00 27.41 29.39 2uzg h HIS 91 CO 0.72 0.34 0.38 0.77 0.86 0.00 0.00 177.93 181.00 2uzg h SER 92 N 0.73 0.73 -0.02 2.45 0.02 -1.62 0.53 113.55 116.37 2uzg h SER 92 Ca 0.43 -0.03 -0.01 0.00 -0.84 0.00 0.00 61.79 61.33 2uzg h SER 92 Cb 0.62 -0.18 -0.00 0.00 0.14 0.00 0.00 62.40 62.97 2uzg h SER 92 CO -0.19 0.56 -0.02 0.74 -1.14 0.00 0.00 176.83 176.78 2uzg h THR 93 N 0.85 1.40 -0.17 -2.27 2.02 -1.12 -1.08 112.91 112.54 2uzg h THR 93 Ca 0.22 -1.21 0.03 0.00 0.77 0.00 0.00 66.41 66.22 2uzg h THR 93 Cb -0.05 2.18 -0.03 0.00 -1.74 0.00 0.00 68.15 68.52 2uzg h THR 93 CO -0.04 0.32 -0.00 0.40 0.37 0.00 0.00 175.52 176.56 2uzg h ILE 94 N -0.45 0.88 -0.94 3.11 2.04 -1.04 -1.34 117.51 119.77 2uzg h ILE 94 Ca 0.00 -0.02 0.04 0.00 1.00 0.00 0.00 64.86 65.89 2uzg h ILE 94 Cb 0.53 0.82 -0.06 0.00 -0.74 0.00 0.00 36.82 37.38 2uzg h ILE 94 CO 0.00 0.01 0.62 -0.74 0.00 0.00 0.00 178.15 178.04 2uzg h HIS 95 N 0.05 1.14 -0.85 1.37 2.76 -0.94 -0.72 115.15 117.96 2uzg h HIS 95 Ca 0.08 0.03 0.04 0.00 -2.20 0.00 0.00 60.37 58.32 2uzg h HIS 95 Cb 0.10 -0.38 -0.05 0.00 1.55 0.00 0.00 27.41 28.63 2uzg h HIS 95 CO -0.16 0.65 0.54 1.03 -1.30 0.00 0.00 177.93 178.69 2uzg h SER 96 N 1.17 0.89 -0.04 3.26 0.87 -0.19 -1.89 113.55 117.62 2uzg h SER 96 Ca 0.38 -0.00 -0.02 0.00 -1.23 0.00 0.00 61.79 60.92 2uzg h SER 96 Cb 0.03 -0.19 -0.00 0.00 -0.44 0.00 0.00 62.40 61.80 2uzg h SER 96 CO -0.12 0.61 -0.06 1.56 -0.53 0.00 0.00 176.83 178.29 2uzg h GLN 97 N 1.05 0.11 -0.56 2.24 7.50 -0.30 0.90 115.11 126.04 2uzg h GLN 97 Ca 0.35 -0.07 0.11 0.00 0.50 0.00 0.00 58.65 59.54 2uzg h GLN 97 Cb 0.04 0.01 -0.09 0.00 0.05 0.00 0.00 27.48 27.48 2uzg h GLN 97 CO -0.13 0.61 -0.02 0.93 -1.50 0.00 0.00 178.83 178.72 2uzg h GLU 98 N -0.37 0.10 -0.36 1.46 5.08 -0.92 -1.85 114.58 117.72 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 0.59 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.82 2uzg h GLU 98 CO 0.01 0.06 0.00 0.25 -1.00 0.00 0.00 179.01 178.34 2uzg n THR 99 N -5.28 2.08 -1.70 1.13 -2.24 -0.73 -4.94 114.28 102.60 2uzg n THR 99 Ca 0.07 -1.59 -0.11 0.00 -2.27 0.00 0.00 64.05 60.14 2uzg n THR 99 Cb 0.31 -0.09 -0.03 0.00 -2.10 0.00 0.00 70.33 68.42 2uzg n THR 99 CO 0.00 0.00 0.00 2.29 -0.57 0.00 0.00 175.07 176.79 2uzg n LYS 100 N -0.01 -1.59 -2.69 -0.78 2.85 0.23 -4.86 118.16 111.30 2uzg n LYS 100 Ca 0.21 0.64 -0.42 0.00 -1.05 0.00 0.00 58.31 57.69 2uzg n LYS 100 Cb 0.85 -4.98 -0.03 0.00 -0.65 0.00 0.00 35.03 30.23 2uzg n LYS 100 CO 0.00 0.00 0.00 -1.01 -0.05 0.00 0.00 177.40 176.34 2uzg s HIS 101 N -2.17 2.58 -1.46 5.58 3.76 0.25 -4.84 115.29 118.99 2uzg s HIS 101 Ca 0.00 -0.59 0.08 0.00 -0.15 0.00 0.00 55.06 54.40 2uzg s HIS 101 Cb 0.00 -4.50 0.31 0.00 1.11 0.00 0.00 32.58 29.49 2uzg s HIS 101 CO 0.00 -1.84 1.15 0.66 -0.85 0.00 0.00 174.74 173.86 2uzg n TYR 102 N 8.37 0.61 -4.01 1.40 4.02 -1.26 -4.07 117.16 122.22 2uzg n TYR 102 Ca 0.12 -0.25 -0.34 0.00 -0.01 0.00 0.00 57.90 57.42 2uzg n TYR 102 Cb 0.49 -0.11 -0.15 0.00 -0.02 0.00 0.00 39.34 39.54 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 -1.07 2.82 -0.01 7.72 2.01 -1.26 -0.96 118.68 127.94 2uzg s LEU 103 Ca 0.22 -0.76 0.01 0.00 0.01 0.00 0.00 54.13 53.61 2uzg s LEU 103 Cb 0.14 -1.61 -0.00 0.00 0.01 0.00 0.00 46.19 44.73 2uzg s LEU 103 CO 0.11 -0.07 -0.04 0.28 1.01 0.00 0.00 176.35 177.64 2uzg s THR 104 N 1.32 0.34 -0.13 5.49 -1.32 -0.81 -1.27 115.64 119.26 2uzg s THR 104 Ca 0.02 -0.17 0.02 0.00 -1.21 0.00 0.00 61.69 60.36 2uzg s THR 104 Cb -0.15 -0.30 0.01 0.00 -1.51 0.00 0.00 72.50 70.55 2uzg s THR 104 CO -0.07 0.10 -0.21 0.54 -2.21 0.00 0.00 174.62 172.78 2uzg s VAL 105 N 0.01 1.96 -0.19 5.08 0.11 0.04 0.33 120.40 127.74 2uzg s VAL 105 Ca 0.00 -0.92 -0.28 0.00 -2.93 0.00 0.00 61.98 57.85 2uzg s VAL 105 Cb -0.03 -1.74 -0.00 0.00 -1.53 0.00 0.00 36.38 33.08 2uzg s VAL 105 CO -0.00 0.53 0.98 0.54 -3.33 0.00 0.00 175.10 173.82 2uzg s ASN 106 N 0.82 7.08 0.08 3.54 2.20 -0.08 -0.82 114.94 127.76 2uzg s ASN 106 Ca -0.08 1.35 0.20 0.00 -0.94 0.00 0.00 52.86 53.39 2uzg s ASN 106 Cb -0.16 -2.52 0.82 0.00 -2.00 0.00 0.00 41.25 37.40 2uzg s ASN 106 CO -0.01 -0.56 1.62 0.18 -2.94 0.00 0.00 177.10 175.39 2uzg n LEU 107 N 5.82 0.22 0.12 3.54 4.77 -0.45 0.46 117.00 131.47 2uzg n LEU 107 Ca 0.09 0.55 -0.24 0.00 -0.03 0.00 0.00 56.01 56.38 2uzg n LEU 107 Cb 0.47 -0.51 -0.16 0.00 -2.33 0.00 0.00 43.42 40.90 2uzg n LEU 107 CO 0.51 -0.28 -0.35 0.74 -1.33 0.00 0.00 177.39 176.68 2uzg h THR 108 N 0.00 1.15 -0.00 -5.08 2.02 -1.92 -3.37 112.91 105.71 2uzg h THR 108 Ca 0.00 -2.62 0.00 0.00 0.77 0.00 0.00 66.41 64.56 2uzg h THR 108 Cb 0.35 2.94 0.00 0.00 -1.74 0.00 0.00 68.15 69.71 2uzg h THR 108 CO 0.00 0.82 -0.30 0.41 0.37 0.00 0.00 175.52 176.83 2uzg n THR 109 N -3.69 0.00 -3.00 3.16 -1.04 -1.18 -5.00 114.28 103.53 2uzg n THR 109 Ca -0.20 -0.35 -0.22 0.00 -2.04 0.00 0.00 64.05 61.24 2uzg n THR 109 Cb 1.09 1.07 0.04 0.00 -1.82 0.00 0.00 70.33 70.70 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 -0.64 -2.68 -4.55 -4.42 4.77 0.17 -4.99 117.00 104.67 2uzg n LEU 110 Ca 0.03 -0.28 -0.30 0.00 -0.03 0.00 0.00 56.01 55.43 2uzg n LEU 110 Cb 0.18 -2.94 -0.10 0.00 -2.33 0.00 0.00 43.42 38.23 2uzg n LEU 110 CO 0.15 0.23 -0.45 -0.13 -1.33 0.00 0.00 177.39 175.86 2uzg s ARG 111 N -5.67 2.02 0.07 3.23 0.52 -1.18 -4.92 118.95 113.02 2uzg s ARG 111 Ca 0.30 -1.07 0.01 0.00 -0.52 0.00 0.00 55.73 54.45 2uzg s ARG 111 Cb -0.13 -2.24 -0.04 0.00 0.52 0.00 0.00 34.95 33.06 2uzg s ARG 111 CO 0.37 0.50 0.15 0.08 0.02 0.00 0.00 175.30 176.42 2uzg s VAL 112 N -1.18 5.00 0.00 3.52 1.01 -1.24 -0.90 120.40 126.61 2uzg s VAL 112 Ca 0.20 -0.57 0.04 0.00 0.00 0.00 0.00 61.98 61.65 2uzg s VAL 112 Cb -0.11 -3.43 -0.01 0.00 0.00 0.00 0.00 36.38 32.83 2uzg s VAL 112 CO 0.12 0.13 -0.12 0.86 0.00 0.00 0.00 175.10 176.09 2uzg s TRP 113 N -1.46 1.04 -0.28 5.22 -0.11 0.15 -1.90 118.94 121.59 2uzg s TRP 113 Ca 0.32 -0.22 0.01 0.00 1.22 0.00 0.00 56.10 57.43 2uzg s TRP 113 Cb -0.13 -0.66 0.06 0.00 -1.50 0.00 0.00 33.47 31.25 2uzg s TRP 113 CO 0.25 -0.01 -0.05 0.00 -4.62 0.00 0.00 176.95 172.52 2uzg h TYR 115 N 7.84 1.12 0.26 0.00 0.05 -1.30 0.63 116.97 125.57 2uzg h TYR 115 Ca -0.18 -0.31 -0.01 0.00 0.05 0.00 0.00 58.73 58.27 2uzg h TYR 115 Cb 1.05 -0.24 0.00 0.00 1.01 0.00 0.00 36.73 38.54 2uzg h TYR 115 CO 0.62 1.14 -0.13 0.00 -1.05 0.00 0.00 178.16 178.74 2uzg h ALA 116 N 0.82 -0.35 -0.00 3.88 0.00 -1.95 -2.68 119.26 118.98 2uzg h ALA 116 Ca 0.08 -0.09 -0.10 0.00 0.00 0.00 0.00 54.91 54.80 2uzg h ALA 116 Cb 0.92 0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.83 2uzg h ALA 116 CO 0.09 -0.68 -0.45 0.00 0.00 0.00 0.00 179.25 178.20 2uzg n SER 118 N -4.00 -2.03 -3.71 0.00 7.64 0.14 -5.06 113.62 106.60 2uzg n SER 118 Ca -0.02 -0.07 0.02 0.00 1.01 0.00 0.00 58.87 59.82 2uzg n SER 118 Cb 0.48 -1.00 0.00 0.00 -1.01 0.00 0.00 64.21 62.68 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 -4.10 0.35 0.17 1.43 0.00 -0.73 -5.04 119.74 111.82 2uzg s LYS 119 Ca 0.00 -0.21 -0.20 0.00 0.00 0.00 0.00 55.97 55.56 2uzg s LYS 119 Cb -0.00 0.11 -0.08 0.00 0.00 0.00 0.00 37.83 37.86 2uzg s LYS 119 CO 0.08 -0.16 0.68 -1.83 0.00 0.00 0.00 175.35 174.11 2uzg s GLU 120 N -2.18 4.26 0.43 1.78 -1.05 -1.26 -0.66 118.70 120.02 2uzg s GLU 120 Ca 0.22 0.84 0.03 0.00 -0.15 0.00 0.00 54.97 55.91 2uzg s GLU 120 Cb 0.02 -3.03 -0.02 0.00 -0.44 0.00 0.00 34.13 30.66 2uzg s GLU 120 CO -0.03 0.49 0.10 0.14 0.95 0.00 0.00 175.26 176.92 2uzg s VAL 121 N -1.36 0.73 0.24 1.83 -7.23 -0.80 -4.87 120.40 108.94 2uzg s VAL 121 Ca 0.38 -2.00 0.10 0.00 -1.81 0.00 0.00 61.98 58.65 2uzg s VAL 121 Cb -0.18 -2.31 -0.05 0.00 0.56 0.00 0.00 36.38 34.40 2uzg s VAL 121 CO 0.21 0.00 -0.18 0.72 -0.31 0.00 0.00 175.10 175.54 2uzg s PHE 122 N -3.13 2.06 0.23 2.82 -0.71 -1.26 -3.62 117.98 114.37 2uzg s PHE 122 Ca 0.20 -0.42 0.06 0.00 -1.04 0.00 0.00 56.93 55.72 2uzg s PHE 122 Cb 0.02 -0.92 -0.03 0.00 -1.21 0.00 0.00 43.02 40.87 2uzg s PHE 122 CO 0.12 0.56 0.23 -0.51 -1.34 0.00 0.00 175.22 174.29 2uzg s LEU 123 N -3.36 3.98 0.03 -1.99 2.01 -1.26 -5.03 118.68 113.06 2uzg s LEU 123 Ca 0.26 -0.12 -0.21 0.00 0.01 0.00 0.00 54.13 54.08 2uzg s LEU 123 Cb -0.04 -2.53 0.04 0.00 0.01 0.00 0.00 46.19 43.68 2uzg s LEU 123 CO 0.11 -0.02 0.47 -1.81 1.01 0.00 0.00 176.35 176.11 2uzg s ASP 124 N -3.71 -0.37 -0.12 2.29 1.11 -1.26 -5.06 116.67 109.55 2uzg s ASP 124 Ca 0.33 0.16 0.09 0.00 0.18 0.00 0.00 52.55 53.31 2uzg s ASP 124 Cb -0.09 0.45 -0.14 0.00 1.07 0.00 0.00 42.92 44.21 2uzg s ASP 124 CO 0.26 -0.65 0.02 0.54 1.18 0.00 0.00 175.17 176.52 2uzg n ARG 125 N 0.61 1.84 -3.65 8.23 1.74 -1.26 -4.95 116.66 119.21 2uzg n ARG 125 Ca -0.19 0.01 -0.04 0.00 -0.77 0.00 0.00 57.85 56.86 2uzg n ARG 125 Cb 0.59 -1.30 -0.06 0.00 -1.02 0.00 0.00 32.46 30.67 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 -2.29 0.50 -0.93 5.56 -0.14 -1.26 -5.10 119.74 116.08 2uzg s LYS 126 Ca -0.08 1.30 -0.24 0.00 -1.36 0.00 0.00 55.97 55.59 2uzg s LYS 126 Cb 0.04 0.66 0.03 0.00 -1.68 0.00 0.00 37.83 36.87 2uzg s LYS 126 CO 0.47 -0.21 1.53 -0.51 -0.76 0.00 0.00 175.35 175.86 2uzg s LEU 127 N 2.73 3.37 -0.03 3.17 1.43 -1.26 -4.85 118.68 123.25 2uzg s LEU 127 Ca -0.05 -1.04 -0.05 0.00 -1.03 0.00 0.00 54.13 51.97 2uzg s LEU 127 Cb -0.12 -2.56 -0.03 0.00 0.03 0.00 0.00 46.19 43.51 2uzg s LEU 127 CO -0.17 -1.83 0.36 1.23 0.23 0.00 0.00 176.35 176.17 2uzg h GLY 128 N 13.91 -0.19 0.00 -3.19 0.00 -2.05 -3.47 103.07 108.08 2uzg h GLY 128 Ca 0.07 0.07 0.00 0.00 0.00 0.00 0.00 47.33 47.47 2uzg h GLY 128 CO 1.35 -0.07 0.00 2.41 0.00 0.00 0.00 176.54 180.23 2uzg n THR 129 N -3.44 0.00 -0.38 4.70 -1.04 -1.26 -5.32 114.28 107.53 2uzg n THR 129 Ca -0.02 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.99 2uzg n THR 129 Cb 0.07 -0.18 0.00 0.00 -1.82 0.00 0.00 70.33 68.40 2uzg n THR 129 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43