#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 7.25 -3.63 6.15 3.02 -1.26 -4.94 115.26 121.85 2uzg n ASN 37 Ca 0.00 -3.64 -0.12 0.00 -0.03 0.00 0.00 54.58 50.79 2uzg n ASN 37 Cb 0.00 -1.19 -0.05 0.00 -0.61 0.00 0.00 39.78 37.93 2uzg n ASN 37 CO 0.00 0.00 0.00 -2.28 -2.62 0.00 0.00 177.26 172.36 2uzg s HIS 38 N -4.05 -0.27 0.16 3.10 2.46 -1.26 -5.15 115.29 110.29 2uzg s HIS 38 Ca 0.38 0.10 -0.30 0.00 0.47 0.00 0.00 55.06 55.72 2uzg s HIS 38 Cb 0.17 0.26 -0.07 0.00 -0.13 0.00 0.00 32.58 32.81 2uzg s HIS 38 CO -0.10 -0.65 1.04 0.00 -2.47 0.00 0.00 174.74 172.56 2uzg h PRO 40 N 5.19 0.39 -0.59 0.00 0.13 -1.99 -1.47 132.00 133.66 2uzg h PRO 40 Ca -0.44 -0.16 0.10 0.00 -0.87 0.00 0.00 66.00 64.63 2uzg h PRO 40 Cb 1.21 -0.02 -0.11 0.00 0.13 0.00 0.00 31.00 32.21 2uzg h PRO 40 CO 0.72 0.67 -0.37 0.45 -0.23 0.00 0.00 178.00 179.24 2uzg h HIS 41 N 0.10 -1.03 -0.10 1.56 3.86 -1.99 0.46 115.15 118.01 2uzg h HIS 41 Ca 0.05 0.08 -0.22 0.00 -1.16 0.00 0.00 60.37 59.11 2uzg h HIS 41 Cb 0.54 0.54 0.01 0.00 1.06 0.00 0.00 27.41 29.56 2uzg h HIS 41 CO 0.06 -0.40 -0.83 1.37 0.86 0.00 0.00 177.93 179.00 2uzg h LEU 42 N -0.18 0.80 -2.49 2.43 8.10 -1.93 -3.10 115.31 118.94 2uzg h LEU 42 Ca 0.22 -0.55 0.01 0.00 0.11 0.00 0.00 57.88 57.67 2uzg h LEU 42 Cb 0.56 -0.24 -0.00 0.00 -0.44 0.00 0.00 40.66 40.54 2uzg h LEU 42 CO -0.69 1.34 0.15 -0.78 -4.11 0.00 0.00 178.44 174.35 2uzg h ASP 43 N 0.43 0.00 0.17 0.17 3.58 -0.11 -1.78 116.42 118.87 2uzg h ASP 43 Ca -0.06 0.00 -0.25 0.00 0.42 0.00 0.00 57.03 57.14 2uzg h ASP 43 Cb 1.45 0.00 0.02 0.00 1.72 0.00 0.00 39.33 42.52 2uzg h ASP 43 CO 0.16 0.00 -1.14 0.77 -2.88 0.00 0.00 179.24 176.15 2uzg h SER 44 N 0.00 0.55 -4.29 2.28 4.64 -0.88 -3.46 113.55 112.39 2uzg h SER 44 Ca 0.02 -0.93 -0.51 0.00 -0.47 0.00 0.00 61.79 59.91 2uzg h SER 44 Cb 0.32 -0.18 0.11 0.00 -0.31 0.00 0.00 62.40 62.33 2uzg h SER 44 CO -0.00 1.54 0.35 0.68 -0.87 0.00 0.00 176.83 178.53 2uzg s VAL 45 N -2.49 3.60 0.00 0.95 -7.23 -0.67 -4.99 120.40 109.57 2uzg s VAL 45 Ca -0.14 0.58 0.00 0.00 -1.81 0.00 0.00 61.98 60.62 2uzg s VAL 45 Cb 0.03 -3.16 0.00 0.00 0.56 0.00 0.00 36.38 33.81 2uzg s VAL 45 CO 0.85 -0.62 0.00 0.61 -0.31 0.00 0.00 175.10 175.63 2uzg n GLY 46 N -1.32 1.01 3.03 2.32 0.00 -1.26 -4.88 105.19 104.10 2uzg n GLY 46 Ca 0.09 -0.60 -0.09 0.00 0.00 0.00 0.00 46.02 45.42 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 4.34 0.42 0.05 1.61 2.12 -1.26 -4.56 118.70 121.42 2uzg s GLU 47 Ca 0.00 -0.77 0.01 0.00 0.36 0.00 0.00 54.97 54.57 2uzg s GLU 47 Cb 0.00 0.15 -0.04 0.00 0.26 0.00 0.00 34.13 34.50 2uzg s GLU 47 CO 0.00 -0.08 0.12 0.42 -0.54 0.00 0.00 175.26 175.19 2uzg s ILE 48 N -2.18 4.87 0.67 -3.70 1.01 -1.26 -4.74 121.20 115.87 2uzg s ILE 48 Ca -0.09 -0.55 -0.11 0.00 0.00 0.00 0.00 60.65 59.90 2uzg s ILE 48 Cb -0.05 -3.33 -0.01 0.00 0.01 0.00 0.00 42.46 39.09 2uzg s ILE 48 CO -0.03 0.19 1.05 0.42 0.00 0.00 0.00 174.94 176.56 2uzg s THR 49 N -1.38 4.28 0.44 2.92 -4.23 -1.26 -4.89 115.64 111.52 2uzg s THR 49 Ca 0.29 0.74 0.10 0.00 -1.18 0.00 0.00 61.69 61.65 2uzg s THR 49 Cb -0.12 -3.58 0.24 0.00 1.34 0.00 0.00 72.50 70.38 2uzg s THR 49 CO 0.22 -0.97 2.05 0.11 -0.54 0.00 0.00 174.62 175.49 2uzg h LYS 50 N -0.57 0.31 -0.47 3.99 1.57 -1.99 -1.77 116.57 117.65 2uzg h LYS 50 Ca -0.44 -0.03 0.01 0.00 -1.87 0.00 0.00 60.65 58.32 2uzg h LYS 50 Cb 1.20 -0.06 -0.03 0.00 0.08 0.00 0.00 32.23 33.42 2uzg h LYS 50 CO 0.59 0.26 0.30 0.93 -0.57 0.00 0.00 179.45 180.96 2uzg h GLU 51 N 0.32 0.59 -0.21 3.15 3.07 -2.00 0.39 114.58 119.89 2uzg h GLU 51 Ca 0.08 -0.04 -0.20 0.00 -0.50 0.00 0.00 59.36 58.70 2uzg h GLU 51 Cb 0.06 -0.13 0.01 0.00 -0.84 0.00 0.00 28.75 27.84 2uzg h GLU 51 CO -0.01 0.39 -0.65 -0.44 -1.40 0.00 0.00 179.01 176.90 2uzg h ASP 52 N 0.61 0.94 0.25 1.42 3.45 -1.82 -3.18 116.42 118.09 2uzg h ASP 52 Ca 0.18 -0.58 -0.10 0.00 0.43 0.00 0.00 57.03 56.96 2uzg h ASP 52 Cb -0.04 -0.27 -0.01 0.00 -0.56 0.00 0.00 39.33 38.44 2uzg h ASP 52 CO -0.05 1.36 -0.39 -0.07 -1.57 0.00 0.00 179.24 178.52 2uzg h LEU 53 N 0.57 0.20 -0.82 1.55 3.38 -1.10 -3.04 115.31 116.05 2uzg h LEU 53 Ca -0.02 -0.08 0.10 0.00 0.09 0.00 0.00 57.88 57.97 2uzg h LEU 53 Cb 1.27 -0.05 -0.08 0.00 0.09 0.00 0.00 40.66 41.89 2uzg h LEU 53 CO 0.14 0.57 0.46 -0.29 0.09 0.00 0.00 178.44 179.41 2uzg h ILE 54 N 0.16 0.88 -0.29 1.22 6.09 -0.20 0.77 117.51 126.14 2uzg h ILE 54 Ca 0.02 -0.26 -0.08 0.00 -1.37 0.00 0.00 64.86 63.16 2uzg h ILE 54 Cb 0.76 0.06 -0.01 0.00 0.47 0.00 0.00 36.82 38.10 2uzg h ILE 54 CO 0.06 0.14 -0.15 1.56 -3.07 0.00 0.00 178.15 176.69 2uzg h GLN 55 N 0.75 0.60 -0.13 2.19 1.08 -1.61 -2.53 115.11 115.47 2uzg h GLN 55 Ca 0.41 -0.27 -0.09 0.00 -1.45 0.00 0.00 58.65 57.25 2uzg h GLN 55 Cb 0.41 -0.02 -0.01 0.00 -0.05 0.00 0.00 27.48 27.81 2uzg h GLN 55 CO -0.27 0.84 -0.31 0.87 -0.95 0.00 0.00 178.83 179.02 2uzg h LYS 56 N 0.35 0.25 0.00 1.46 1.57 -1.31 -2.12 116.57 116.76 2uzg h LYS 56 Ca 0.06 -0.09 0.00 0.00 -1.87 0.00 0.00 60.65 58.75 2uzg h LYS 56 Cb 0.67 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.96 2uzg h LYS 56 CO 0.04 0.53 0.00 -1.13 -0.57 0.00 0.00 179.45 178.33 2uzg n SER 57 N -4.11 0.40 0.30 0.86 3.41 0.26 -3.02 113.62 111.71 2uzg n SER 57 Ca -0.01 0.58 0.20 0.00 -0.26 0.00 0.00 58.87 59.37 2uzg n SER 57 Cb 0.40 -0.67 1.01 0.00 -0.26 0.00 0.00 64.21 64.70 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 -0.95 -3.46 115.31 114.48 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 0.42 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.17 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 0.53 3.01 0.83 0.00 -1.17 -4.81 105.19 102.72 2uzg n GLY 59 Ca -0.02 -0.23 -0.13 0.00 0.00 0.00 0.00 46.02 45.65 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 -1.96 -0.01 0.05 2.61 -4.23 -1.26 -0.31 115.64 110.53 2uzg s THR 60 Ca 0.00 0.03 -0.23 0.00 -1.18 0.00 0.00 61.69 60.31 2uzg s THR 60 Cb 0.00 -0.22 -0.06 0.00 1.34 0.00 0.00 72.50 73.56 2uzg s THR 60 CO 0.00 0.01 0.68 0.00 -0.54 0.00 0.00 174.62 174.77 2uzg h GLN 62 N 5.29 0.00 0.00 0.00 4.15 -1.42 -3.33 115.11 119.81 2uzg h GLN 62 Ca -0.46 0.00 -0.36 0.00 0.77 0.00 0.00 58.65 58.60 2uzg h GLN 62 Cb 1.21 0.00 -0.05 0.00 0.21 0.00 0.00 27.48 28.84 2uzg h GLN 62 CO 0.69 0.00 -2.05 -3.47 -1.93 0.00 0.00 178.83 172.06 2uzg n ASP 63 N -2.76 1.93 -1.56 -0.69 4.64 -1.25 -4.98 116.55 111.89 2uzg n ASP 63 Ca 0.03 0.37 0.00 0.00 -1.38 0.00 0.00 54.79 53.81 2uzg n ASP 63 Cb 0.39 -0.86 0.00 0.00 -1.04 0.00 0.00 41.12 39.61 2uzg n ASP 63 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 2uzg n LYS 65 N 0.00 1.36 -0.07 0.00 5.02 -1.26 -3.82 118.16 119.38 2uzg n LYS 65 Ca 0.00 -4.07 -0.03 0.00 -2.02 0.00 0.00 58.31 52.19 2uzg n LYS 65 Cb 0.00 -2.06 -0.16 0.00 -0.02 0.00 0.00 35.03 32.79 2uzg n LYS 65 CO 0.00 0.00 0.00 1.33 -0.52 0.00 0.00 177.40 178.21 2uzg n VAL 66 N 2.11 0.96 -1.42 -0.18 0.24 -1.26 -5.03 118.33 113.74 2uzg n VAL 66 Ca 0.24 -0.75 0.00 0.00 -2.04 0.00 0.00 64.34 61.79 2uzg n VAL 66 Cb 0.40 -0.32 0.00 0.00 -1.47 0.00 0.00 33.84 32.45 2uzg n VAL 66 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2uzg n GLN 67 N -2.60 -4.00 -0.04 7.34 1.13 -1.26 -4.98 117.38 112.97 2uzg n GLN 67 Ca -0.24 2.91 -0.03 0.00 -1.94 0.00 0.00 57.00 57.69 2uzg n GLN 67 Cb 0.98 -3.21 0.03 0.00 0.11 0.00 0.00 30.24 28.14 2uzg n GLN 67 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2uzg n GLY 68 N 0.07 -3.55 0.00 1.08 0.00 0.58 -4.93 105.19 98.44 2uzg n GLY 68 Ca 0.00 -1.27 0.00 0.00 0.00 0.00 0.00 46.02 44.75 2uzg n GLY 68 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2uzg n PRO 69 N -2.31 -0.32 -2.51 1.61 -0.04 -1.26 -5.05 135.00 125.12 2uzg n PRO 69 Ca 0.01 0.00 -0.04 0.00 -0.04 0.00 0.00 63.50 63.44 2uzg n PRO 69 Cb 0.06 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.53 2uzg n PRO 69 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 2uzg n ASN 70 N -2.23 -6.19 -4.08 3.54 5.03 -1.26 -5.07 115.26 105.00 2uzg n ASN 70 Ca 0.00 0.23 -0.15 0.00 0.87 0.00 0.00 54.58 55.53 2uzg n ASN 70 Cb 0.00 -4.10 -0.12 0.00 -1.02 0.00 0.00 39.78 34.54 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 -2.58 2.22 0.23 3.41 1.43 -1.26 -4.70 118.68 117.43 2uzg s LEU 71 Ca 0.12 -0.50 0.10 0.00 -1.03 0.00 0.00 54.13 52.82 2uzg s LEU 71 Cb -0.03 -0.31 -0.04 0.00 0.03 0.00 0.00 46.19 45.84 2uzg s LEU 71 CO 0.54 -0.11 -0.12 0.26 0.23 0.00 0.00 176.35 177.15 2uzg s TRP 72 N -1.14 2.52 -0.03 0.29 0.52 0.60 -1.05 118.94 120.64 2uzg s TRP 72 Ca -0.05 -0.27 -0.03 0.00 0.02 0.00 0.00 56.10 55.77 2uzg s TRP 72 Cb -0.09 -1.17 0.01 0.00 -1.15 0.00 0.00 33.47 31.07 2uzg s TRP 72 CO 0.01 0.59 0.09 0.00 0.02 0.00 0.00 176.95 177.66 2uzg s ALA 73 N -2.06 -0.21 0.15 0.98 0.00 -0.26 -0.92 121.76 119.45 2uzg s ALA 73 Ca 0.27 0.27 -0.33 0.00 0.00 0.00 0.00 51.96 52.18 2uzg s ALA 73 Cb -0.07 -0.17 -0.13 0.00 0.00 0.00 0.00 23.12 22.76 2uzg s ALA 73 CO 0.16 -0.05 1.68 0.00 0.00 0.00 0.00 175.76 177.55 2uzg h LEU 75 N 6.81 0.00 -8.80 0.00 5.85 -1.69 -3.44 115.31 114.04 2uzg h LEU 75 Ca -0.45 -0.03 -0.65 0.00 0.84 0.00 0.00 57.88 57.60 2uzg h LEU 75 Cb 1.24 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.26 2uzg h LEU 75 CO 0.92 0.01 1.35 1.21 -0.34 0.00 0.00 178.44 181.60 2uzg n GLU 76 N -2.68 1.48 -0.21 1.25 4.07 -1.26 -4.33 120.64 118.96 2uzg n GLU 76 Ca 0.04 0.44 0.23 0.00 -0.06 0.00 0.00 57.16 57.81 2uzg n GLU 76 Cb 0.50 -2.65 0.60 0.00 -0.06 0.00 0.00 31.44 29.83 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 12.15 0.23 1.75 4.31 -1.24 -1.85 0.50 115.58 131.43 2uzg h ASN 77 Ca -0.35 0.03 -0.05 0.00 0.71 0.00 0.00 56.30 56.63 2uzg h ASN 77 Cb 1.29 -0.02 -0.01 0.00 0.73 0.00 0.00 38.32 40.32 2uzg h ASN 77 CO 0.99 0.09 -0.25 0.03 -1.29 0.00 0.00 177.43 177.00 2uzg h ARG 78 N 0.23 0.00 -6.09 6.67 2.47 -1.94 -3.46 114.38 112.26 2uzg h ARG 78 Ca 0.44 0.00 -0.63 0.00 -1.26 0.00 0.00 59.98 58.53 2uzg h ARG 78 Cb 1.38 0.00 -0.07 0.00 -1.65 0.00 0.00 29.97 29.62 2uzg h ARG 78 CO -0.11 0.24 -0.57 0.00 0.56 0.00 0.00 179.97 180.10 2uzg n SER 80 N 0.41 0.21 -4.53 0.00 7.64 -1.26 -4.52 113.62 111.57 2uzg n SER 80 Ca -0.07 -2.93 -0.30 0.00 1.01 0.00 0.00 58.87 56.58 2uzg n SER 80 Cb 0.51 -0.37 -0.11 0.00 -1.01 0.00 0.00 64.21 63.23 2uzg n SER 80 CO 0.00 0.00 0.00 -0.31 -3.01 0.00 0.00 175.04 171.72 2uzg s TYR 81 N -1.62 2.65 -0.22 1.43 2.02 -1.26 -5.02 117.35 115.33 2uzg s TYR 81 Ca 0.37 -0.20 -0.02 0.00 -0.37 0.00 0.00 57.07 56.84 2uzg s TYR 81 Cb 0.27 -1.42 0.01 0.00 -0.40 0.00 0.00 41.96 40.41 2uzg s TYR 81 CO -0.10 0.37 -0.08 0.08 -1.57 0.00 0.00 175.55 174.26 2uzg s VAL 82 N -1.12 3.01 0.14 0.71 1.01 -1.26 -1.39 120.40 121.50 2uzg s VAL 82 Ca 0.19 -0.70 0.03 0.00 0.00 0.00 0.00 61.98 61.50 2uzg s VAL 82 Cb -0.11 -2.39 -0.04 0.00 0.00 0.00 0.00 36.38 33.84 2uzg s VAL 82 CO 0.10 0.39 -0.07 -0.83 0.00 0.00 0.00 175.10 174.70 2uzg s GLY 83 N 1.41 1.05 0.02 4.51 0.00 -0.09 -0.91 107.32 113.31 2uzg s GLY 83 Ca 0.04 -1.49 -0.00 0.00 0.00 0.00 0.00 44.72 43.27 2uzg s GLY 83 CO -0.05 -1.55 0.11 0.00 0.00 0.00 0.00 173.10 171.60 2uzg n GLY 85 N 0.93 -1.99 0.34 0.00 0.00 -1.26 0.68 105.19 103.88 2uzg n GLY 85 Ca -0.11 -1.55 0.18 0.00 0.00 0.00 0.00 46.02 44.55 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 4.22 -1.89 0.44 114.58 118.96 2uzg h GLU 86 Ca -0.09 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.35 2uzg h GLU 86 Cb 0.27 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.52 2uzg h GLU 86 CO 0.06 0.00 0.00 0.77 -2.18 0.00 0.00 179.01 177.66 2uzg h SER 87 N 0.00 0.00 0.00 1.04 0.02 -1.97 -3.38 113.55 109.26 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 0.42 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.96 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 -2.69 0.00 -0.14 3.45 1.13 -0.10 -5.00 117.38 114.04 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 -2.15 0.00 -2.59 5.09 0.31 -0.94 -5.00 118.33 113.05 2uzg n VAL 89 Ca 0.00 0.00 -0.11 0.00 -0.01 0.00 0.00 64.34 64.22 2uzg n VAL 89 Cb 0.00 0.79 -0.00 0.00 -0.91 0.00 0.00 33.84 33.72 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 -3.22 -0.19 4.52 4.64 0.13 -4.79 116.55 117.65 2uzg n ASP 90 Ca 0.00 0.18 0.11 0.00 -1.38 0.00 0.00 54.79 53.70 2uzg n ASP 90 Cb 0.55 -2.76 0.42 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 -0.13 0.66 -0.68 -0.67 3.86 0.06 0.88 115.15 119.12 2uzg h HIS 91 Ca -0.25 0.02 -0.00 0.00 -1.16 0.00 0.00 60.37 58.98 2uzg h HIS 91 Cb 1.18 -0.21 -0.03 0.00 1.06 0.00 0.00 27.41 29.40 2uzg h HIS 91 CO 0.74 0.29 0.42 1.03 0.86 0.00 0.00 177.93 181.27 2uzg h SER 92 N 0.60 0.81 -0.02 2.45 0.87 -1.62 0.15 113.55 116.78 2uzg h SER 92 Ca 0.37 -0.04 -0.01 0.00 -1.23 0.00 0.00 61.79 60.88 2uzg h SER 92 Cb 0.61 -0.20 -0.00 0.00 -0.44 0.00 0.00 62.40 62.36 2uzg h SER 92 CO -0.14 0.61 -0.03 0.74 -0.53 0.00 0.00 176.83 177.49 2uzg h THR 93 N 0.94 1.42 -0.00 2.23 2.02 -1.12 -0.76 112.91 117.63 2uzg h THR 93 Ca 0.25 -1.28 0.01 0.00 0.77 0.00 0.00 66.41 66.16 2uzg h THR 93 Cb -0.05 2.24 -0.02 0.00 -1.74 0.00 0.00 68.15 68.58 2uzg h THR 93 CO -0.05 0.34 -0.07 0.40 0.37 0.00 0.00 175.52 176.51 2uzg h ILE 94 N -0.46 0.82 -0.77 3.11 2.04 -1.06 -1.44 117.51 119.76 2uzg h ILE 94 Ca 0.00 0.00 0.03 0.00 1.00 0.00 0.00 64.86 65.89 2uzg h ILE 94 Cb 0.57 0.82 -0.04 0.00 -0.74 0.00 0.00 36.82 37.43 2uzg h ILE 94 CO 0.01 0.00 0.50 -0.74 0.00 0.00 0.00 178.15 177.92 2uzg h HIS 95 N -0.12 0.91 -0.61 1.37 2.76 -0.77 -0.67 115.15 118.03 2uzg h HIS 95 Ca 0.03 0.02 0.02 0.00 -2.20 0.00 0.00 60.37 58.24 2uzg h HIS 95 Cb 0.15 -0.30 -0.04 0.00 1.55 0.00 0.00 27.41 28.77 2uzg h HIS 95 CO -0.14 0.54 0.38 1.03 -1.30 0.00 0.00 177.93 178.44 2uzg h SER 96 N 0.95 0.64 -0.04 3.26 0.87 -0.26 -1.66 113.55 117.31 2uzg h SER 96 Ca 0.30 -0.01 -0.02 0.00 -1.23 0.00 0.00 61.79 60.84 2uzg h SER 96 Cb 0.03 -0.15 -0.00 0.00 -0.44 0.00 0.00 62.40 61.84 2uzg h SER 96 CO -0.08 0.45 -0.06 1.56 -0.53 0.00 0.00 176.83 178.17 2uzg h GLN 97 N 0.77 0.11 -0.56 2.24 7.50 -0.52 0.85 115.11 125.50 2uzg h GLN 97 Ca 0.23 -0.06 0.11 0.00 0.50 0.00 0.00 58.65 59.44 2uzg h GLN 97 Cb -0.03 0.01 -0.10 0.00 0.05 0.00 0.00 27.48 27.41 2uzg h GLN 97 CO -0.08 0.60 -0.02 0.93 -1.50 0.00 0.00 178.83 178.76 2uzg h GLU 98 N -0.38 0.09 -0.54 1.46 5.08 -0.99 -1.72 114.58 117.58 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 0.00 179.01 178.33 2uzg n THR 99 N -5.28 1.29 -1.70 1.13 -2.24 -0.64 -4.94 114.28 101.90 2uzg n THR 99 Ca 0.07 -1.11 -0.18 0.00 -2.27 0.00 0.00 64.05 60.56 2uzg n THR 99 Cb 0.31 0.36 -0.06 0.00 -2.10 0.00 0.00 70.33 68.84 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 0.97 -1.49 -2.85 -0.78 5.02 0.17 -4.90 118.16 114.31 2uzg n LYS 100 Ca 0.20 1.03 -0.43 0.00 -2.02 0.00 0.00 58.31 57.09 2uzg n LYS 100 Cb 0.64 -5.42 -0.03 0.00 -0.02 0.00 0.00 35.03 30.19 2uzg n LYS 100 CO 0.00 0.00 0.00 -1.01 -0.52 0.00 0.00 177.40 175.87 2uzg s HIS 101 N -2.60 2.79 -0.54 2.13 3.76 0.24 -4.86 115.29 116.21 2uzg s HIS 101 Ca 0.00 -0.81 0.06 0.00 -0.15 0.00 0.00 55.06 54.16 2uzg s HIS 101 Cb 0.00 -4.33 0.40 0.00 1.11 0.00 0.00 32.58 29.76 2uzg s HIS 101 CO 0.00 -1.63 1.20 0.66 -0.85 0.00 0.00 174.74 174.12 2uzg n TYR 102 N 7.48 1.15 -4.08 1.40 4.02 -1.26 -4.03 117.16 121.85 2uzg n TYR 102 Ca 0.07 -0.54 -0.32 0.00 -0.01 0.00 0.00 57.90 57.10 2uzg n TYR 102 Cb 0.47 -0.37 -0.16 0.00 -0.02 0.00 0.00 39.34 39.26 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 -1.44 2.36 -0.02 7.72 2.01 -1.26 -1.34 118.68 126.71 2uzg s LEU 103 Ca 0.28 -0.81 0.00 0.00 0.01 0.00 0.00 54.13 53.61 2uzg s LEU 103 Cb 0.22 -1.42 0.02 0.00 0.01 0.00 0.00 46.19 45.01 2uzg s LEU 103 CO 0.07 -0.07 -0.00 0.28 1.01 0.00 0.00 176.35 177.64 2uzg s THR 104 N 1.29 0.15 -0.14 5.49 -1.32 -0.81 -1.86 115.64 118.45 2uzg s THR 104 Ca 0.01 0.04 0.03 0.00 -1.21 0.00 0.00 61.69 60.56 2uzg s THR 104 Cb -0.15 -0.21 0.01 0.00 -1.51 0.00 0.00 72.50 70.64 2uzg s THR 104 CO -0.10 0.11 -0.22 0.54 -2.21 0.00 0.00 174.62 172.73 2uzg s VAL 105 N 0.68 2.04 -0.13 5.08 0.11 -0.46 0.35 120.40 128.08 2uzg s VAL 105 Ca -0.07 -0.97 -0.29 0.00 -2.93 0.00 0.00 61.98 57.72 2uzg s VAL 105 Cb -0.10 -1.80 -0.01 0.00 -1.53 0.00 0.00 36.38 32.94 2uzg s VAL 105 CO -0.01 0.55 1.09 0.54 -3.33 0.00 0.00 175.10 173.93 2uzg s ASN 106 N 0.78 7.13 0.00 3.54 2.20 -0.27 -1.10 114.94 127.22 2uzg s ASN 106 Ca -0.08 1.58 0.18 0.00 -0.94 0.00 0.00 52.86 53.60 2uzg s ASN 106 Cb -0.16 -2.55 0.79 0.00 -2.00 0.00 0.00 41.25 37.34 2uzg s ASN 106 CO -0.01 -0.57 1.56 0.18 -2.94 0.00 0.00 177.10 175.33 2uzg n LEU 107 N 5.54 0.00 0.04 3.54 4.77 -0.22 0.41 117.00 131.07 2uzg n LEU 107 Ca 0.11 0.45 -0.20 0.00 -0.03 0.00 0.00 56.01 56.34 2uzg n LEU 107 Cb 0.47 -0.45 -0.11 0.00 -2.33 0.00 0.00 43.42 41.00 2uzg n LEU 107 CO 0.53 -0.18 0.11 0.74 -1.33 0.00 0.00 177.39 177.26 2uzg h THR 108 N 0.00 1.31 -0.00 -5.08 2.02 -1.91 -3.37 112.91 105.88 2uzg h THR 108 Ca 0.00 -2.22 0.00 0.00 0.77 0.00 0.00 66.41 64.96 2uzg h THR 108 Cb 0.27 2.44 0.00 0.00 -1.74 0.00 0.00 68.15 69.13 2uzg h THR 108 CO 0.00 0.68 -0.02 0.35 0.37 0.00 0.00 175.52 176.90 2uzg n THR 109 N -3.93 0.00 -3.45 3.16 -2.24 -1.18 -5.01 114.28 101.63 2uzg n THR 109 Ca -0.11 -0.49 -0.21 0.00 -2.27 0.00 0.00 64.05 60.98 2uzg n THR 109 Cb 0.84 1.01 0.07 0.00 -2.10 0.00 0.00 70.33 70.15 2uzg n THR 109 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 2uzg n LEU 110 N -0.46 -3.26 -4.50 3.22 4.77 0.16 -5.01 117.00 111.93 2uzg n LEU 110 Ca 0.00 -0.47 -0.32 0.00 -0.03 0.00 0.00 56.01 55.19 2uzg n LEU 110 Cb 0.02 -2.72 -0.12 0.00 -2.33 0.00 0.00 43.42 38.27 2uzg n LEU 110 CO 0.01 0.56 -0.45 -0.13 -1.33 0.00 0.00 177.39 176.05 2uzg s ARG 111 N -6.09 2.38 0.14 3.23 1.81 -1.15 -4.93 118.95 114.34 2uzg s ARG 111 Ca 0.48 -0.79 -0.05 0.00 -1.72 0.00 0.00 55.73 53.65 2uzg s ARG 111 Cb -0.21 -2.35 -0.06 0.00 -0.45 0.00 0.00 34.95 31.89 2uzg s ARG 111 CO 0.64 0.59 0.38 0.08 -0.68 0.00 0.00 175.30 176.31 2uzg s VAL 112 N -0.86 5.16 -0.00 3.52 1.01 -1.21 -1.12 120.40 126.91 2uzg s VAL 112 Ca 0.14 0.03 0.03 0.00 0.00 0.00 0.00 61.98 62.18 2uzg s VAL 112 Cb -0.11 -3.62 -0.01 0.00 0.00 0.00 0.00 36.38 32.64 2uzg s VAL 112 CO 0.04 0.03 -0.09 0.86 0.00 0.00 0.00 175.10 175.94 2uzg s TRP 113 N -1.66 0.79 -0.29 5.22 -0.11 0.16 -1.56 118.94 121.49 2uzg s TRP 113 Ca 0.41 -0.16 -0.02 0.00 1.22 0.00 0.00 56.10 57.55 2uzg s TRP 113 Cb -0.12 -0.51 0.04 0.00 -1.50 0.00 0.00 33.47 31.38 2uzg s TRP 113 CO 0.25 -0.01 -0.01 0.00 -4.62 0.00 0.00 176.95 172.55 2uzg h TYR 115 N 8.02 0.91 0.24 0.00 0.05 -1.46 0.92 116.97 125.65 2uzg h TYR 115 Ca -0.25 -0.26 -0.01 0.00 0.05 0.00 0.00 58.73 58.26 2uzg h TYR 115 Cb 1.08 -0.20 0.00 0.00 1.01 0.00 0.00 36.73 38.62 2uzg h TYR 115 CO 0.60 1.01 -0.12 0.00 -1.05 0.00 0.00 178.16 178.61 2uzg h ALA 116 N 0.75 -0.33 -0.00 3.88 0.00 -1.95 -2.54 119.26 119.07 2uzg h ALA 116 Ca 0.06 -0.07 -0.09 0.00 0.00 0.00 0.00 54.91 54.81 2uzg h ALA 116 Cb 0.83 0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.74 2uzg h ALA 116 CO 0.07 -0.69 -0.44 0.00 0.00 0.00 0.00 179.25 178.19 2uzg n SER 118 N -4.01 -2.22 -3.44 0.00 3.41 0.23 -5.05 113.62 102.54 2uzg n SER 118 Ca -0.02 -0.09 -0.02 0.00 -0.26 0.00 0.00 58.87 58.48 2uzg n SER 118 Cb 0.47 -1.21 0.02 0.00 -0.26 0.00 0.00 64.21 63.23 2uzg n SER 118 CO 0.00 0.00 0.00 -1.59 -0.16 0.00 0.00 175.04 173.29 2uzg s LYS 119 N -4.52 1.16 -0.00 4.33 0.00 -0.69 -5.04 119.74 114.98 2uzg s LYS 119 Ca 0.03 -0.74 -0.18 0.00 0.00 0.00 0.00 55.97 55.07 2uzg s LYS 119 Cb -0.01 0.33 -0.06 0.00 0.00 0.00 0.00 37.83 38.09 2uzg s LYS 119 CO 0.11 -0.54 0.53 -2.00 0.00 0.00 0.00 175.35 173.44 2uzg s GLU 120 N -2.18 4.20 0.39 1.78 2.12 -1.26 -0.13 118.70 123.61 2uzg s GLU 120 Ca 0.23 0.61 0.05 0.00 0.36 0.00 0.00 54.97 56.22 2uzg s GLU 120 Cb -0.02 -3.30 -0.07 0.00 0.26 0.00 0.00 34.13 31.00 2uzg s GLU 120 CO 0.04 0.48 0.03 0.14 -0.54 0.00 0.00 175.26 175.41 2uzg s VAL 121 N -0.50 1.60 0.01 3.70 -7.23 -0.60 -4.87 120.40 112.52 2uzg s VAL 121 Ca 0.28 -2.00 0.07 0.00 -1.81 0.00 0.00 61.98 58.52 2uzg s VAL 121 Cb -0.18 -2.84 -0.02 0.00 0.56 0.00 0.00 36.38 33.90 2uzg s VAL 121 CO 0.16 0.00 -0.22 0.72 -0.31 0.00 0.00 175.10 175.44 2uzg s PHE 122 N -2.95 1.97 -0.29 2.82 -0.71 -1.26 -3.31 117.98 114.25 2uzg s PHE 122 Ca 0.33 -0.38 -0.08 0.00 -1.04 0.00 0.00 56.93 55.76 2uzg s PHE 122 Cb 0.09 -1.22 -0.01 0.00 -1.21 0.00 0.00 43.02 40.66 2uzg s PHE 122 CO 0.16 0.04 0.11 -0.51 -1.34 0.00 0.00 175.22 173.67 2uzg s LEU 123 N -0.86 3.83 0.68 -1.99 2.01 -1.26 -5.06 118.68 116.02 2uzg s LEU 123 Ca 0.09 -0.47 -0.16 0.00 0.01 0.00 0.00 54.13 53.60 2uzg s LEU 123 Cb -0.09 -1.94 0.01 0.00 0.01 0.00 0.00 46.19 44.18 2uzg s LEU 123 CO 0.01 -0.14 1.18 -0.62 1.01 0.00 0.00 176.35 177.78 2uzg s ASP 124 N 1.58 4.66 -0.06 2.29 2.15 -1.26 -4.96 116.67 121.07 2uzg s ASP 124 Ca 0.05 2.26 0.09 0.00 0.43 0.00 0.00 52.55 55.38 2uzg s ASP 124 Cb -0.16 -2.58 -0.24 0.00 -0.30 0.00 0.00 42.92 39.64 2uzg s ASP 124 CO 0.04 -1.95 0.61 -1.14 -0.17 0.00 0.00 175.17 172.56 2uzg n ARG 125 N -2.40 0.65 -3.99 4.34 0.63 -1.26 -4.90 116.66 109.72 2uzg n ARG 125 Ca 0.13 0.29 -0.16 0.00 -0.92 0.00 0.00 57.85 57.19 2uzg n ARG 125 Cb 0.51 -1.78 -0.15 0.00 0.45 0.00 0.00 32.46 31.49 2uzg n ARG 125 CO 0.00 0.00 0.00 0.15 -2.51 0.00 0.00 177.63 175.27 2uzg s LYS 126 N -2.59 0.31 0.00 -0.14 1.02 -1.26 -5.08 119.74 111.99 2uzg s LYS 126 Ca -0.08 -0.02 0.00 0.00 0.02 0.00 0.00 55.97 55.89 2uzg s LYS 126 Cb 0.08 -0.39 0.00 0.00 -0.52 0.00 0.00 37.83 36.99 2uzg s LYS 126 CO 0.82 -0.04 0.00 1.28 -0.92 0.00 0.00 175.35 176.49 2uzg n LEU 127 N 3.62 0.00 0.00 3.17 4.77 -1.26 -5.09 117.00 122.21 2uzg n LEU 127 Ca -0.21 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.77 2uzg n LEU 127 Cb 0.54 -0.08 0.00 0.00 -2.33 0.00 0.00 43.42 41.55 2uzg n LEU 127 CO 0.24 -0.09 0.00 0.61 -1.33 0.00 0.00 177.39 176.82 2uzg n GLY 128 N 2.53 0.67 0.06 -0.72 0.00 -1.26 -5.05 105.19 101.42 2uzg n GLY 128 Ca 0.00 -0.34 -0.06 0.00 0.00 0.00 0.00 46.02 45.62 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 0.00 0.74 -0.93 2.61 -1.04 -1.26 -5.35 114.28 109.05 2uzg n THR 129 Ca 0.00 -0.43 0.00 0.00 -2.04 0.00 0.00 64.05 61.58 2uzg n THR 129 Cb 0.00 -0.76 0.00 0.00 -1.82 0.00 0.00 70.33 67.75 2uzg n THR 129 CO 0.00 0.00 0.00 1.67 -0.64 0.00 0.00 175.07 176.10