#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 5.94 0.01 6.15 3.84 -1.26 -5.07 114.94 124.55 2uzg s ASN 37 Ca 0.00 1.92 0.01 0.00 0.21 0.00 0.00 52.86 55.00 2uzg s ASN 37 Cb 0.00 -2.55 -0.01 0.00 -0.55 0.00 0.00 41.25 38.14 2uzg s ASN 37 CO 0.00 -1.06 -0.05 -2.28 -2.79 0.00 0.00 177.10 170.92 2uzg s HIS 38 N -2.18 0.43 0.25 0.43 2.46 -1.26 -5.13 115.29 110.29 2uzg s HIS 38 Ca 0.66 -0.20 -0.31 0.00 0.47 0.00 0.00 55.06 55.68 2uzg s HIS 38 Cb -0.17 -0.27 -0.11 0.00 -0.13 0.00 0.00 32.58 31.89 2uzg s HIS 38 CO 0.30 -0.04 1.64 0.00 -2.47 0.00 0.00 174.74 174.17 2uzg h PRO 40 N 5.69 0.66 -0.41 0.00 0.13 -2.00 -1.44 132.00 134.63 2uzg h PRO 40 Ca -0.45 -0.20 0.08 0.00 -0.87 0.00 0.00 66.00 64.56 2uzg h PRO 40 Cb 1.21 -0.07 -0.09 0.00 0.13 0.00 0.00 31.00 32.18 2uzg h PRO 40 CO 0.86 0.74 -0.37 0.45 -0.23 0.00 0.00 178.00 179.45 2uzg h HIS 41 N 0.49 -1.05 -0.06 1.56 3.86 -1.98 -1.05 115.15 116.92 2uzg h HIS 41 Ca 0.11 0.06 -0.17 0.00 -1.16 0.00 0.00 60.37 59.21 2uzg h HIS 41 Cb 0.43 0.52 -0.01 0.00 1.06 0.00 0.00 27.41 29.41 2uzg h HIS 41 CO 0.03 -0.41 -0.70 1.37 0.86 0.00 0.00 177.93 179.09 2uzg h LEU 42 N -0.28 0.37 -2.26 2.43 8.10 -1.91 -3.03 115.31 118.72 2uzg h LEU 42 Ca 0.16 -0.24 0.02 0.00 0.11 0.00 0.00 57.88 57.94 2uzg h LEU 42 Cb 0.56 -0.11 -0.00 0.00 -0.44 0.00 0.00 40.66 40.67 2uzg h LEU 42 CO -0.56 0.95 0.25 -0.78 -4.11 0.00 0.00 178.44 174.19 2uzg h ASP 43 N 0.22 0.00 0.15 0.17 -0.00 -0.08 -1.44 116.42 115.43 2uzg h ASP 43 Ca -0.02 0.00 -0.27 0.00 -0.00 0.00 0.00 57.03 56.74 2uzg h ASP 43 Cb 1.25 0.00 0.01 0.00 -0.00 0.00 0.00 39.33 40.59 2uzg h ASP 43 CO 0.11 0.00 -1.31 -1.28 -0.00 0.00 0.00 179.24 176.77 2uzg h SER 44 N 0.00 0.48 -4.02 2.28 0.87 -1.22 -3.46 113.55 108.49 2uzg h SER 44 Ca 0.04 -0.90 -0.51 0.00 -1.23 0.00 0.00 61.79 59.19 2uzg h SER 44 Cb 0.54 -0.16 0.07 0.00 -0.44 0.00 0.00 62.40 62.41 2uzg h SER 44 CO -0.00 1.59 0.49 0.68 -0.53 0.00 0.00 176.83 179.06 2uzg s VAL 45 N -2.49 3.04 0.00 2.23 -7.23 -0.54 -4.97 120.40 110.44 2uzg s VAL 45 Ca -0.17 0.76 0.00 0.00 -1.81 0.00 0.00 61.98 60.77 2uzg s VAL 45 Cb 0.04 -3.38 0.00 0.00 0.56 0.00 0.00 36.38 33.60 2uzg s VAL 45 CO 0.81 -0.03 0.00 0.61 -0.31 0.00 0.00 175.10 176.18 2uzg n GLY 46 N 0.43 0.81 3.13 2.32 0.00 -1.26 -4.88 105.19 105.75 2uzg n GLY 46 Ca 0.08 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.01 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 0.50 0.80 -0.13 1.61 2.12 -1.26 -4.76 118.70 117.57 2uzg s GLU 47 Ca 0.00 -1.34 -0.06 0.00 0.36 0.00 0.00 54.97 53.93 2uzg s GLU 47 Cb 0.00 0.13 -0.04 0.00 0.26 0.00 0.00 34.13 34.48 2uzg s GLU 47 CO 0.00 -0.16 0.09 -1.50 -0.54 0.00 0.00 175.26 173.16 2uzg s ILE 48 N -3.91 5.10 0.67 -3.70 1.10 -1.26 -4.61 121.20 114.58 2uzg s ILE 48 Ca 0.15 0.06 -0.11 0.00 -0.51 0.00 0.00 60.65 60.24 2uzg s ILE 48 Cb 0.07 -3.23 -0.01 0.00 0.15 0.00 0.00 42.46 39.45 2uzg s ILE 48 CO -0.04 0.57 1.05 0.42 -2.11 0.00 0.00 174.94 174.84 2uzg s THR 49 N -0.65 4.28 0.15 4.00 -4.23 -1.26 -4.90 115.64 113.03 2uzg s THR 49 Ca 0.12 0.74 -0.16 0.00 -1.18 0.00 0.00 61.69 61.22 2uzg s THR 49 Cb -0.12 -3.57 0.01 0.00 1.34 0.00 0.00 72.50 70.16 2uzg s THR 49 CO 0.02 -0.96 1.76 0.11 -0.54 0.00 0.00 174.62 175.01 2uzg h LYS 50 N -0.56 0.58 -0.38 3.99 1.79 -1.99 -1.56 116.57 118.45 2uzg h LYS 50 Ca -0.44 -0.06 0.04 0.00 -2.18 0.00 0.00 60.65 58.01 2uzg h LYS 50 Cb 1.20 -0.12 -0.02 0.00 -1.58 0.00 0.00 32.23 31.72 2uzg h LYS 50 CO 0.59 0.45 0.25 1.49 -1.08 0.00 0.00 179.45 181.15 2uzg h GLU 51 N 0.55 0.35 -0.17 3.15 4.81 -1.99 0.29 114.58 121.57 2uzg h GLU 51 Ca 0.15 -0.02 -0.16 0.00 -0.13 0.00 0.00 59.36 59.20 2uzg h GLU 51 Cb 0.03 -0.08 0.00 0.00 0.63 0.00 0.00 28.75 29.34 2uzg h GLU 51 CO -0.03 0.23 -0.51 -0.44 -0.73 0.00 0.00 179.01 177.54 2uzg h ASP 52 N 0.37 0.74 0.42 1.04 5.19 -1.77 -3.12 116.42 119.28 2uzg h ASP 52 Ca 0.16 -0.59 -0.14 0.00 -0.62 0.00 0.00 57.03 55.84 2uzg h ASP 52 Cb 0.17 -0.21 -0.01 0.00 0.18 0.00 0.00 39.33 39.45 2uzg h ASP 52 CO -0.04 1.20 -0.59 -0.07 -3.12 0.00 0.00 179.24 176.63 2uzg h LEU 53 N 0.31 0.19 -0.50 1.55 3.38 -0.50 -2.97 115.31 116.77 2uzg h LEU 53 Ca -0.02 -0.11 0.04 0.00 0.09 0.00 0.00 57.88 57.88 2uzg h LEU 53 Cb 1.13 -0.06 -0.04 0.00 0.09 0.00 0.00 40.66 41.78 2uzg h LEU 53 CO 0.11 0.74 0.27 0.40 0.09 0.00 0.00 178.44 180.05 2uzg h ILE 54 N 0.13 1.00 -0.52 1.22 2.04 -0.44 0.86 117.51 121.79 2uzg h ILE 54 Ca -0.00 -0.19 -0.09 0.00 1.00 0.00 0.00 64.86 65.58 2uzg h ILE 54 Cb 1.07 0.41 -0.02 0.00 -0.74 0.00 0.00 36.82 37.54 2uzg h ILE 54 CO 0.09 0.10 -0.02 -0.61 0.00 0.00 0.00 178.15 177.70 2uzg h GLN 55 N 0.54 0.93 -0.10 2.37 5.75 -1.51 -2.46 115.11 120.64 2uzg h GLN 55 Ca 0.21 -0.31 -0.11 0.00 -0.15 0.00 0.00 58.65 58.30 2uzg h GLN 55 Cb 0.08 -0.08 -0.01 0.00 1.07 0.00 0.00 27.48 28.54 2uzg h GLN 55 CO -0.13 0.96 -0.42 0.87 -2.65 0.00 0.00 178.83 177.47 2uzg h LYS 56 N 0.80 0.22 0.00 1.69 1.57 -1.27 -2.36 116.57 117.22 2uzg h LYS 56 Ca 0.14 -0.10 0.00 0.00 -1.87 0.00 0.00 60.65 58.82 2uzg h LYS 56 Cb 0.56 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.87 2uzg h LYS 56 CO 0.03 0.60 0.00 -1.13 -0.57 0.00 0.00 179.45 178.38 2uzg n SER 57 N -4.02 0.42 0.30 0.86 3.41 0.29 -2.87 113.62 112.00 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 64.76 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 -0.86 1.04 3.38 -0.97 -3.46 115.31 114.44 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 -0.86 0.72 3.02 0.83 0.00 -1.14 -4.73 105.19 103.03 2uzg n GLY 59 Ca -0.02 -0.33 -0.13 0.00 0.00 0.00 0.00 46.02 45.54 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 0.17 2.61 -4.23 -1.25 -0.79 115.64 109.78 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 -0.22 -0.08 0.00 1.34 0.00 0.00 72.50 73.54 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 3.79 0.00 0.00 0.00 4.15 -1.58 -3.35 115.11 118.12 2uzg h GLN 62 Ca -0.48 -0.00 -0.06 0.00 0.77 0.00 0.00 58.65 58.88 2uzg h GLN 62 Cb 1.20 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 28.88 2uzg h GLN 62 CO 0.65 0.86 -0.37 -0.44 -1.93 0.00 0.00 178.83 177.60 2uzg h ASP 63 N 0.00 0.00 -2.96 -0.69 3.32 -1.94 -3.49 116.42 110.66 2uzg h ASP 63 Ca -0.01 -0.56 0.00 0.00 0.02 0.00 0.00 57.03 56.48 2uzg h ASP 63 Cb 1.52 0.00 0.00 0.00 0.22 0.00 0.00 39.33 41.07 2uzg h ASP 63 CO 0.11 0.99 0.00 0.00 -1.72 0.00 0.00 179.24 178.63 2uzg s LYS 65 N -2.00 2.47 -0.17 0.00 0.00 -1.26 -3.77 119.74 115.02 2uzg s LYS 65 Ca 0.00 -1.30 -0.04 0.00 0.00 0.00 0.00 55.97 54.63 2uzg s LYS 65 Cb 0.00 -3.38 0.08 0.00 0.00 0.00 0.00 37.83 34.54 2uzg s LYS 65 CO 0.00 -0.71 0.25 0.14 0.00 0.00 0.00 175.35 175.04 2uzg s VAL 66 N 1.31 -0.39 0.05 1.79 -7.23 -1.26 -4.96 120.40 109.71 2uzg s VAL 66 Ca -0.02 0.10 -0.31 0.00 -1.81 0.00 0.00 61.98 59.95 2uzg s VAL 66 Cb -0.20 -0.56 -0.06 0.00 0.56 0.00 0.00 36.38 36.12 2uzg s VAL 66 CO 0.00 -0.03 1.28 -1.10 -0.31 0.00 0.00 175.10 174.95 2uzg s GLN 67 N 2.39 4.37 0.84 4.82 -1.52 -1.25 -3.82 119.66 125.50 2uzg s GLN 67 Ca 0.05 1.87 -0.13 0.00 -1.95 0.00 0.00 55.36 55.19 2uzg s GLN 67 Cb -0.14 -3.38 0.20 0.00 -0.22 0.00 0.00 33.01 29.47 2uzg s GLN 67 CO -0.10 -0.37 0.45 0.41 -0.25 0.00 0.00 175.29 175.42 2uzg n GLY 68 N 3.37 -3.07 0.00 3.09 0.00 0.03 -4.93 105.19 103.68 2uzg n GLY 68 Ca 0.10 -1.00 0.00 0.00 0.00 0.00 0.00 46.02 45.12 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 -3.16 1.63 -2.56 1.61 -0.02 -1.26 -5.04 135.00 126.19 2uzg n PRO 69 Ca 0.07 0.00 -0.01 0.00 -2.02 0.00 0.00 63.50 61.54 2uzg n PRO 69 Cb 0.31 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.79 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 0.00 -6.05 -3.96 2.55 3.02 -1.26 -5.07 115.26 104.49 2uzg n ASN 70 Ca 0.00 0.02 -0.13 0.00 -0.03 0.00 0.00 54.58 54.43 2uzg n ASN 70 Cb 0.00 -4.01 -0.13 0.00 -0.61 0.00 0.00 39.78 35.03 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 -3.19 2.09 0.28 3.41 1.43 -1.26 -4.76 118.68 116.67 2uzg s LEU 71 Ca 0.03 -0.22 0.09 0.00 -1.03 0.00 0.00 54.13 53.00 2uzg s LEU 71 Cb -0.01 -0.12 -0.04 0.00 0.03 0.00 0.00 46.19 46.05 2uzg s LEU 71 CO 0.52 -0.06 0.01 0.26 0.23 0.00 0.00 176.35 177.32 2uzg s TRP 72 N -0.54 2.69 -0.04 0.29 0.52 0.10 -1.22 118.94 120.74 2uzg s TRP 72 Ca -0.04 -0.25 -0.04 0.00 0.02 0.00 0.00 56.10 55.80 2uzg s TRP 72 Cb -0.04 -1.25 0.01 0.00 -1.15 0.00 0.00 33.47 31.03 2uzg s TRP 72 CO -0.00 0.59 0.11 0.00 0.02 0.00 0.00 176.95 177.66 2uzg s ALA 73 N -2.34 -0.27 0.26 0.98 0.00 -0.05 -1.41 121.76 118.93 2uzg s ALA 73 Ca 0.32 0.27 -0.31 0.00 0.00 0.00 0.00 51.96 52.24 2uzg s ALA 73 Cb -0.06 -0.16 -0.12 0.00 0.00 0.00 0.00 23.12 22.78 2uzg s ALA 73 CO 0.20 -0.07 1.59 0.00 0.00 0.00 0.00 175.76 177.48 2uzg h LEU 75 N 5.16 0.00 -9.54 0.00 5.85 -1.40 -3.45 115.31 111.93 2uzg h LEU 75 Ca -0.46 -0.06 -0.59 0.00 0.84 0.00 0.00 57.88 57.61 2uzg h LEU 75 Cb 1.23 0.00 0.07 0.00 0.37 0.00 0.00 40.66 42.33 2uzg h LEU 75 CO 0.83 0.03 0.65 1.21 -0.34 0.00 0.00 178.44 180.82 2uzg n GLU 76 N -2.54 2.00 -0.22 1.25 0.00 -1.26 -4.46 120.64 115.40 2uzg n GLU 76 Ca 0.03 0.71 -0.08 0.00 0.00 0.00 0.00 57.16 57.82 2uzg n GLU 76 Cb 0.49 -2.40 0.03 0.00 0.00 0.00 0.00 31.44 29.55 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 4.74 1.00 1.53 4.31 -1.24 -1.86 -2.56 115.58 121.50 2uzg h ASN 77 Ca -0.45 -0.27 0.00 0.00 0.71 0.00 0.00 56.30 56.29 2uzg h ASN 77 Cb 1.27 -0.27 0.00 0.00 0.73 0.00 0.00 38.32 40.06 2uzg h ASN 77 CO 0.80 1.01 0.00 0.03 -1.29 0.00 0.00 177.43 177.98 2uzg h ARG 78 N 0.95 0.00 -5.10 6.67 3.08 -1.92 -3.43 114.38 114.62 2uzg h ARG 78 Ca 0.19 0.00 -0.65 0.00 0.07 0.00 0.00 59.98 59.59 2uzg h ARG 78 Cb 0.44 0.00 -0.24 0.00 0.08 0.00 0.00 29.97 30.25 2uzg h ARG 78 CO 0.01 0.00 -0.67 0.00 -1.07 0.00 0.00 179.97 178.24 2uzg n SER 80 N 4.33 3.74 -4.79 0.00 3.41 -1.26 -4.24 113.62 114.82 2uzg n SER 80 Ca -0.17 -3.52 -0.32 0.00 -0.26 0.00 0.00 58.87 54.60 2uzg n SER 80 Cb 0.52 -0.55 -0.07 0.00 -0.26 0.00 0.00 64.21 63.85 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 -3.29 3.25 -0.19 7.33 2.02 -1.26 -5.00 117.35 120.21 2uzg s TYR 81 Ca 0.46 0.15 -0.07 0.00 -0.37 0.00 0.00 57.07 57.24 2uzg s TYR 81 Cb 0.33 -1.68 -0.04 0.00 -0.40 0.00 0.00 41.96 40.17 2uzg s TYR 81 CO -0.13 0.54 0.05 0.08 -1.57 0.00 0.00 175.55 174.51 2uzg s VAL 82 N -1.30 4.56 0.05 0.71 1.01 -1.26 -1.84 120.40 122.33 2uzg s VAL 82 Ca 0.27 -0.11 -0.02 0.00 0.00 0.00 0.00 61.98 62.11 2uzg s VAL 82 Cb -0.12 -3.05 -0.03 0.00 0.00 0.00 0.00 36.38 33.17 2uzg s VAL 82 CO 0.18 0.45 -0.00 -0.83 0.00 0.00 0.00 175.10 174.90 2uzg s GLY 83 N 0.55 0.40 -0.14 4.51 0.00 -0.50 -1.30 107.32 110.84 2uzg s GLY 83 Ca 0.02 -1.08 -0.06 0.00 0.00 0.00 0.00 44.72 43.60 2uzg s GLY 83 CO 0.01 -1.20 0.07 0.00 0.00 0.00 0.00 173.10 171.98 2uzg n GLY 85 N 2.73 -2.49 0.20 0.00 0.00 -1.26 0.63 105.19 105.00 2uzg n GLY 85 Ca -0.18 -1.34 0.14 0.00 0.00 0.00 0.00 46.02 44.64 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 3.07 -1.91 0.39 114.58 117.75 2uzg h GLU 86 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 2uzg h GLU 86 Cb 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.91 2uzg h GLU 86 CO 0.00 0.00 0.00 0.77 -1.40 0.00 0.00 179.01 178.38 2uzg h SER 87 N 0.00 0.00 0.00 1.42 0.02 -1.95 -3.40 113.55 109.64 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 0.18 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.72 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 -2.74 0.00 -0.37 3.45 1.13 -0.89 -5.00 117.38 112.96 2uzg n GLN 88 Ca -0.02 0.00 0.01 0.00 -1.94 0.00 0.00 57.00 55.06 2uzg n GLN 88 Cb 0.11 0.00 0.02 0.00 0.11 0.00 0.00 30.24 30.47 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 -1.28 0.27 -2.50 5.09 0.31 -1.14 -4.99 118.33 114.08 2uzg n VAL 89 Ca 0.00 -0.32 -0.15 0.00 -0.01 0.00 0.00 64.34 63.87 2uzg n VAL 89 Cb 0.00 0.46 -0.01 0.00 -0.91 0.00 0.00 33.84 33.39 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 -0.20 -4.28 -0.32 4.52 8.00 0.13 -4.82 116.55 119.58 2uzg n ASP 90 Ca 0.02 0.12 0.10 0.00 0.71 0.00 0.00 54.79 55.73 2uzg n ASP 90 Cb 0.66 -3.61 0.31 0.00 -0.02 0.00 0.00 41.12 38.46 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 -0.09 0.99 -0.65 1.24 3.86 0.07 0.85 115.15 121.41 2uzg h HIS 91 Ca -0.34 0.03 0.03 0.00 -1.16 0.00 0.00 60.37 58.92 2uzg h HIS 91 Cb 1.25 -0.31 -0.04 0.00 1.06 0.00 0.00 27.41 29.37 2uzg h HIS 91 CO 0.67 0.37 0.43 0.77 0.86 0.00 0.00 177.93 181.04 2uzg h SER 92 N 0.84 0.70 0.04 2.45 0.02 -1.61 0.15 113.55 116.14 2uzg h SER 92 Ca 0.48 -0.01 -0.00 0.00 -0.84 0.00 0.00 61.79 61.41 2uzg h SER 92 Cb 0.61 -0.17 0.00 0.00 0.14 0.00 0.00 62.40 62.99 2uzg h SER 92 CO -0.24 0.49 -0.02 0.74 -1.14 0.00 0.00 176.83 176.65 2uzg h THR 93 N 0.81 1.30 -0.17 -2.27 2.02 -1.14 -0.96 112.91 112.50 2uzg h THR 93 Ca 0.25 -1.24 0.03 0.00 0.77 0.00 0.00 66.41 66.22 2uzg h THR 93 Cb 0.02 2.11 -0.03 0.00 -1.74 0.00 0.00 68.15 68.51 2uzg h THR 93 CO -0.07 0.31 -0.01 0.40 0.37 0.00 0.00 175.52 176.53 2uzg h ILE 94 N -0.62 0.88 -0.93 3.11 2.04 -1.04 -1.43 117.51 119.52 2uzg h ILE 94 Ca -0.01 -0.02 0.03 0.00 1.00 0.00 0.00 64.86 65.87 2uzg h ILE 94 Cb 0.55 0.82 -0.05 0.00 -0.74 0.00 0.00 36.82 37.40 2uzg h ILE 94 CO 0.01 0.01 0.61 -0.74 0.00 0.00 0.00 178.15 178.04 2uzg h HIS 95 N 0.05 1.14 -0.67 1.37 2.76 -0.78 -0.35 115.15 118.67 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 -0.17 0.68 0.40 1.03 -1.30 0.00 0.00 177.93 178.57 2uzg h SER 96 N 1.19 0.64 -0.04 3.26 0.87 -0.21 -1.59 113.55 117.67 2uzg h SER 96 Ca 0.36 0.01 -0.02 0.00 -1.23 0.00 0.00 61.79 60.91 2uzg h SER 96 Cb -0.03 -0.12 -0.00 0.00 -0.44 0.00 0.00 62.40 61.81 2uzg h SER 96 CO -0.10 0.43 -0.06 1.56 -0.53 0.00 0.00 176.83 178.13 2uzg h GLN 97 N 0.77 0.11 -0.55 2.24 7.50 -0.54 0.83 115.11 125.47 2uzg h GLN 97 Ca 0.28 -0.07 0.11 0.00 0.50 0.00 0.00 58.65 59.47 2uzg h GLN 97 Cb 0.08 0.01 -0.10 0.00 0.05 0.00 0.00 27.48 27.52 2uzg h GLN 97 CO -0.13 0.62 -0.03 0.93 -1.50 0.00 0.00 178.83 178.72 2uzg h GLU 98 N -0.38 0.09 -0.60 1.46 5.08 -0.87 -1.67 114.58 117.69 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 0.61 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.84 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 1.12 -1.73 1.13 -2.24 -0.62 -4.94 114.28 101.73 2uzg n THR 99 Ca 0.07 -1.04 -0.19 0.00 -2.27 0.00 0.00 64.05 60.61 2uzg n THR 99 Cb 0.31 0.44 -0.07 0.00 -2.10 0.00 0.00 70.33 68.91 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 1.21 -1.50 -2.85 -0.78 5.02 0.13 -4.90 118.16 114.48 2uzg n LYS 100 Ca 0.21 1.09 -0.43 0.00 -2.02 0.00 0.00 58.31 57.16 2uzg n LYS 100 Cb 0.60 -5.51 -0.03 0.00 -0.02 0.00 0.00 35.03 30.07 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 -2.69 2.79 -0.26 2.13 3.76 0.24 -4.87 115.29 116.39 2uzg s HIS 101 Ca 0.00 -0.81 0.02 0.00 -0.15 0.00 0.00 55.06 54.12 2uzg s HIS 101 Cb 0.00 -4.32 0.39 0.00 1.11 0.00 0.00 32.58 29.75 2uzg s HIS 101 CO 0.00 -1.63 1.53 0.66 -0.85 0.00 0.00 174.74 174.45 2uzg n TYR 102 N 7.47 1.78 -3.75 1.40 4.02 -1.26 -4.07 117.16 122.75 2uzg n TYR 102 Ca 0.07 -1.28 -0.23 0.00 -0.01 0.00 0.00 57.90 56.44 2uzg n TYR 102 Cb 0.47 -0.65 -0.17 0.00 -0.02 0.00 0.00 39.34 38.96 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 -1.91 0.61 0.02 7.72 2.01 -1.26 -1.33 118.68 124.54 2uzg s LEU 103 Ca 0.33 -0.20 0.02 0.00 0.01 0.00 0.00 54.13 54.29 2uzg s LEU 103 Cb 0.28 -0.42 -0.01 0.00 0.01 0.00 0.00 46.19 46.04 2uzg s LEU 103 CO 0.06 -0.22 -0.07 0.28 1.01 0.00 0.00 176.35 177.41 2uzg s THR 104 N 1.99 0.49 -0.16 5.49 -1.32 -0.80 -1.13 115.64 120.21 2uzg s THR 104 Ca 0.04 -0.60 0.02 0.00 -1.21 0.00 0.00 61.69 59.93 2uzg s THR 104 Cb -0.13 -0.48 0.01 0.00 -1.51 0.00 0.00 72.50 70.39 2uzg s THR 104 CO -0.06 -0.09 -0.21 0.54 -2.21 0.00 0.00 174.62 172.59 2uzg s VAL 105 N -0.67 2.04 -0.20 5.08 0.11 0.53 0.32 120.40 127.61 2uzg s VAL 105 Ca -0.03 -0.95 -0.27 0.00 -2.93 0.00 0.00 61.98 57.80 2uzg s VAL 105 Cb -0.06 -1.82 -0.00 0.00 -1.53 0.00 0.00 36.38 32.97 2uzg s VAL 105 CO 0.00 0.54 0.93 0.54 -3.33 0.00 0.00 175.10 173.78 2uzg s ASN 106 N 1.02 7.01 0.00 3.54 2.20 0.49 -0.87 114.94 128.32 2uzg s ASN 106 Ca -0.02 1.25 0.18 0.00 -0.94 0.00 0.00 52.86 53.33 2uzg s ASN 106 Cb -0.14 -2.49 0.78 0.00 -2.00 0.00 0.00 41.25 37.39 2uzg s ASN 106 CO -0.07 -0.53 1.57 0.18 -2.94 0.00 0.00 177.10 175.31 2uzg n LEU 107 N 5.81 0.00 0.01 3.54 4.77 -0.35 0.36 117.00 131.13 2uzg n LEU 107 Ca 0.08 0.49 -0.18 0.00 -0.03 0.00 0.00 56.01 56.36 2uzg n LEU 107 Cb 0.47 -0.49 -0.11 0.00 -2.33 0.00 0.00 43.42 40.97 2uzg n LEU 107 CO 0.50 -0.19 0.21 0.74 -1.33 0.00 0.00 177.39 177.32 2uzg h THR 108 N 0.00 1.38 -0.01 -5.08 2.02 -1.92 -3.36 112.91 105.94 2uzg h THR 108 Ca 0.00 -2.11 0.00 0.00 0.77 0.00 0.00 66.41 65.07 2uzg h THR 108 Cb 0.30 2.51 0.00 0.00 -1.74 0.00 0.00 68.15 69.22 2uzg h THR 108 CO 0.00 0.63 0.00 0.35 0.37 0.00 0.00 175.52 176.87 2uzg n THR 109 N -4.12 0.35 -3.56 3.16 -2.24 -1.18 -5.00 114.28 101.69 2uzg n THR 109 Ca -0.10 -0.67 -0.26 0.00 -2.27 0.00 0.00 64.05 60.74 2uzg n THR 109 Cb 0.73 0.84 0.04 0.00 -2.10 0.00 0.00 70.33 69.84 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 -0.09 -2.66 -4.56 3.22 4.77 0.16 -4.98 117.00 112.85 2uzg n LEU 110 Ca 0.01 -0.55 -0.29 0.00 -0.03 0.00 0.00 56.01 55.15 2uzg n LEU 110 Cb 0.11 -2.72 -0.10 0.00 -2.33 0.00 0.00 43.42 38.39 2uzg n LEU 110 CO 0.01 0.42 -0.43 -0.13 -1.33 0.00 0.00 177.39 175.93 2uzg s ARG 111 N -6.25 2.04 0.09 3.23 1.81 -1.11 -4.91 118.95 113.84 2uzg s ARG 111 Ca 0.53 -1.14 0.04 0.00 -1.72 0.00 0.00 55.73 53.43 2uzg s ARG 111 Cb -0.25 -2.22 -0.04 0.00 -0.45 0.00 0.00 34.95 31.99 2uzg s ARG 111 CO 0.65 0.47 0.06 0.08 -0.68 0.00 0.00 175.30 175.88 2uzg s VAL 112 N -1.39 4.36 -0.01 3.52 1.01 -1.23 -0.38 120.40 126.28 2uzg s VAL 112 Ca 0.22 -0.85 0.04 0.00 0.00 0.00 0.00 61.98 61.39 2uzg s VAL 112 Cb -0.10 -3.10 -0.01 0.00 0.00 0.00 0.00 36.38 33.17 2uzg s VAL 112 CO 0.14 0.11 -0.14 0.86 0.00 0.00 0.00 175.10 176.07 2uzg s TRP 113 N -1.38 1.21 -0.29 5.22 -0.11 0.15 -1.68 118.94 122.06 2uzg s TRP 113 Ca 0.28 -0.23 -0.02 0.00 1.22 0.00 0.00 56.10 57.35 2uzg s TRP 113 Cb -0.12 -0.78 0.04 0.00 -1.50 0.00 0.00 33.47 31.11 2uzg s TRP 113 CO 0.21 -0.02 -0.00 0.00 -4.62 0.00 0.00 176.95 172.52 2uzg h TYR 115 N 8.03 1.02 0.27 0.00 -1.99 -1.47 0.10 116.97 122.93 2uzg h TYR 115 Ca -0.24 -0.28 -0.01 0.00 2.00 0.00 0.00 58.73 60.19 2uzg h TYR 115 Cb 1.08 -0.22 0.00 0.00 2.00 0.00 0.00 36.73 39.59 2uzg h TYR 115 CO 0.61 1.07 -0.13 0.00 -0.00 0.00 0.00 178.16 179.71 2uzg h ALA 116 N 0.78 -0.36 -0.01 3.88 0.00 -1.95 -2.66 119.26 118.95 2uzg h ALA 116 Ca 0.07 -0.08 -0.10 0.00 0.00 0.00 0.00 54.91 54.80 2uzg h ALA 116 Cb 0.86 0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.78 2uzg h ALA 116 CO 0.08 -0.70 -0.48 0.00 0.00 0.00 0.00 179.25 178.15 2uzg n SER 118 N -3.97 -2.08 -3.64 0.00 7.64 0.28 -5.06 113.62 106.79 2uzg n SER 118 Ca -0.02 -0.08 0.02 0.00 1.01 0.00 0.00 58.87 59.80 2uzg n SER 118 Cb 0.50 -1.10 -0.00 0.00 -1.01 0.00 0.00 64.21 62.59 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 -4.06 0.32 0.00 1.43 -2.85 -0.72 -5.03 119.74 108.83 2uzg s LYS 119 Ca 0.01 -0.19 -0.24 0.00 -1.00 0.00 0.00 55.97 54.55 2uzg s LYS 119 Cb -0.00 0.11 -0.05 0.00 -2.06 0.00 0.00 37.83 35.83 2uzg s LYS 119 CO 0.10 -0.15 0.72 -1.83 0.10 0.00 0.00 175.35 174.29 2uzg s GLU 120 N -2.28 4.45 0.34 1.78 4.04 -1.26 -0.23 118.70 125.55 2uzg s GLU 120 Ca 0.17 0.96 0.09 0.00 0.04 0.00 0.00 54.97 56.23 2uzg s GLU 120 Cb 0.04 -3.39 -0.07 0.00 0.02 0.00 0.00 34.13 30.74 2uzg s GLU 120 CO -0.04 0.22 -0.08 0.14 -1.84 0.00 0.00 175.26 173.66 2uzg s VAL 121 N 0.22 2.14 -0.04 1.83 -7.23 -0.68 -4.89 120.40 111.75 2uzg s VAL 121 Ca 0.37 -2.18 0.05 0.00 -1.81 0.00 0.00 61.98 58.42 2uzg s VAL 121 Cb -0.19 -2.66 -0.01 0.00 0.56 0.00 0.00 36.38 34.08 2uzg s VAL 121 CO 0.21 -0.19 -0.21 0.72 -0.31 0.00 0.00 175.10 175.32 2uzg s PHE 122 N -2.67 1.99 0.14 2.82 -0.71 -1.26 -3.53 117.98 114.76 2uzg s PHE 122 Ca 0.32 -0.55 0.07 0.00 -1.04 0.00 0.00 56.93 55.74 2uzg s PHE 122 Cb 0.03 -1.32 -0.04 0.00 -1.21 0.00 0.00 43.02 40.49 2uzg s PHE 122 CO 0.16 -0.16 -0.05 -0.48 -1.34 0.00 0.00 175.22 173.34 2uzg s LEU 123 N -0.12 3.16 0.68 -1.99 0.05 -1.26 -5.03 118.68 114.18 2uzg s LEU 123 Ca -0.02 -0.41 -0.11 0.00 0.05 0.00 0.00 54.13 53.64 2uzg s LEU 123 Cb -0.12 -1.88 -0.00 0.00 -2.05 0.00 0.00 46.19 42.14 2uzg s LEU 123 CO 0.02 0.13 1.06 -1.81 -0.55 0.00 0.00 176.35 175.20 2uzg s ASP 124 N -2.60 5.64 -0.15 1.48 -0.00 -1.26 -5.00 116.67 114.77 2uzg s ASP 124 Ca 0.25 1.47 0.13 0.00 -0.00 0.00 0.00 52.55 54.39 2uzg s ASP 124 Cb -0.10 -2.39 -0.18 0.00 -0.00 0.00 0.00 42.92 40.24 2uzg s ASP 124 CO 0.16 -1.26 0.04 0.54 -0.00 0.00 0.00 175.17 174.66 2uzg n ARG 125 N -3.00 1.47 -1.43 8.23 1.74 -1.26 -5.07 116.66 117.35 2uzg n ARG 125 Ca 0.07 -0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.15 2uzg n ARG 125 Cb 0.54 -1.39 0.00 0.00 -1.02 0.00 0.00 32.46 30.59 2uzg n ARG 125 CO 0.00 0.00 0.00 1.17 -1.52 0.00 0.00 177.63 177.28 2uzg n LYS 126 N -2.58 -3.79 -1.85 5.56 4.81 -1.26 -4.84 118.16 114.21 2uzg n LYS 126 Ca -0.25 2.92 -0.38 0.00 -0.87 0.00 0.00 58.31 59.73 2uzg n LYS 126 Cb 0.99 -3.61 0.03 0.00 0.02 0.00 0.00 35.03 32.46 2uzg n LYS 126 CO 0.00 0.00 0.00 -0.51 1.17 0.00 0.00 177.40 178.06 2uzg s LEU 127 N -4.94 3.92 0.00 3.14 1.02 -1.26 -4.55 118.68 116.01 2uzg s LEU 127 Ca 0.00 2.73 0.00 0.00 0.02 0.00 0.00 54.13 56.88 2uzg s LEU 127 Cb 0.00 -4.21 0.00 0.00 0.02 0.00 0.00 46.19 42.00 2uzg s LEU 127 CO 0.00 -1.42 0.00 0.61 0.02 0.00 0.00 176.35 175.56 2uzg n GLY 128 N 0.67 0.68 0.08 -3.19 0.00 -1.26 -5.06 105.19 97.11 2uzg n GLY 128 Ca 0.09 -0.54 -0.08 0.00 0.00 0.00 0.00 46.02 45.49 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 1.07 -0.51 2.61 -1.04 -1.26 -5.21 114.28 109.93 2uzg n THR 129 Ca 0.00 -0.62 0.00 0.00 -2.04 0.00 0.00 64.05 61.39 2uzg n THR 129 Cb 0.00 -0.67 0.00 0.00 -1.82 0.00 0.00 70.33 67.84 2uzg n THR 129 CO 0.00 0.00 0.00 1.67 -0.64 0.00 0.00 175.07 176.10