#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1uhs s SER 2 N 0.00 3.96 -0.25 1.61 0.01 -1.26 -4.99 113.70 112.79 1uhs s SER 2 Ca 0.00 -0.85 -0.15 0.00 1.31 0.00 0.00 55.95 56.25 1uhs s SER 2 Cb 0.00 -1.59 -0.16 0.00 0.21 0.00 0.00 66.02 64.48 1uhs s SER 2 CO 0.00 -0.09 -0.11 1.21 0.41 0.00 0.00 173.24 174.66 1uhs n GLU 3 N 4.62 0.59 -2.40 12.44 0.00 -1.26 -5.03 120.64 129.61 1uhs n GLU 3 Ca -0.18 0.36 -0.04 0.00 0.00 0.00 0.00 57.16 57.30 1uhs n GLU 3 Cb 0.47 -1.59 0.01 0.00 0.00 0.00 0.00 31.44 30.33 1uhs n GLU 3 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1uhs n GLY 4 N 1.43 0.45 3.36 8.31 0.00 -1.26 -5.04 105.19 112.43 1uhs n GLY 4 Ca -0.45 -0.61 -0.34 0.00 0.00 0.00 0.00 46.02 44.62 1uhs n GLY 4 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1uhs s ALA 5 N -2.65 2.79 -0.00 4.61 0.00 -1.26 -5.11 121.76 120.14 1uhs s ALA 5 Ca 0.06 -1.02 0.08 0.00 0.00 0.00 0.00 51.96 51.07 1uhs s ALA 5 Cb -0.03 -1.53 -0.02 0.00 0.00 0.00 0.00 23.12 21.54 1uhs s ALA 5 CO 0.07 -0.11 -0.24 0.00 0.00 0.00 0.00 175.76 175.47 1uhs s ALA 6 N 0.94 2.03 -0.03 0.00 0.00 -1.26 -5.13 121.76 118.31 1uhs s ALA 6 Ca -0.01 -1.08 -0.07 0.00 0.00 0.00 0.00 51.96 50.80 1uhs s ALA 6 Cb -0.15 -0.49 -0.05 0.00 0.00 0.00 0.00 23.12 22.43 1uhs s ALA 6 CO 0.00 0.49 0.25 -0.08 0.00 0.00 0.00 175.76 176.42 1uhs s THR 7 N -0.62 5.33 0.77 0.00 -1.32 -1.26 -5.10 115.64 113.43 1uhs s THR 7 Ca 0.10 0.24 -0.07 0.00 -1.21 0.00 0.00 61.69 60.74 1uhs s THR 7 Cb -0.09 -3.54 0.11 0.00 -1.51 0.00 0.00 72.50 67.47 1uhs s THR 7 CO -0.00 0.45 1.08 -0.04 -2.21 0.00 0.00 174.62 173.90 1uhs s MET 8 N -1.51 1.65 0.44 7.08 -1.94 -1.26 -5.12 119.30 118.65 1uhs s MET 8 Ca 0.24 -0.54 0.03 0.00 -1.71 0.00 0.00 55.69 53.71 1uhs s MET 8 Cb -0.13 -2.14 -0.02 0.00 2.01 0.00 0.00 34.83 34.55 1uhs s MET 8 CO 0.13 -1.59 0.08 0.95 -0.01 0.00 0.00 175.02 174.58 1uhs s THR 9 N -3.38 0.83 0.33 2.05 -4.23 -1.26 -5.04 115.64 104.95 1uhs s THR 9 Ca 0.65 -2.00 0.10 0.00 -1.18 0.00 0.00 61.69 59.26 1uhs s THR 9 Cb -0.07 -2.30 0.06 0.00 1.34 0.00 0.00 72.50 71.53 1uhs s THR 9 CO 0.47 0.00 1.76 -0.33 -0.54 0.00 0.00 174.62 175.98 1uhs h GLU 10 N 1.64 0.11 -0.62 3.99 4.39 -1.99 -2.53 114.58 119.56 1uhs h GLU 10 Ca -0.39 -0.05 -0.03 0.00 0.34 0.00 0.00 59.36 59.24 1uhs h GLU 10 Cb 1.29 -0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 29.91 1uhs h GLU 10 CO 0.63 0.49 0.27 -0.44 -1.16 0.00 0.00 179.01 178.81 1uhs h ASP 11 N 0.10 0.84 -0.19 1.42 3.32 -1.99 -0.08 116.42 119.85 1uhs h ASP 11 Ca 0.01 -0.15 -0.17 0.00 0.02 0.00 0.00 57.03 56.74 1uhs h ASP 11 Cb 0.74 -0.22 -0.00 0.00 0.22 0.00 0.00 39.33 40.07 1uhs h ASP 11 CO 0.06 0.76 -0.49 1.56 -1.72 0.00 0.00 179.24 179.41 1uhs h GLN 12 N 0.86 0.76 0.00 3.56 4.20 -1.86 -2.64 115.11 119.99 1uhs h GLN 12 Ca 0.21 -0.45 -0.07 0.00 0.06 0.00 0.00 58.65 58.40 1uhs h GLN 12 Cb 0.17 0.04 -0.01 0.00 0.30 0.00 0.00 27.48 27.98 1uhs h GLN 12 CO -0.02 1.07 -0.34 0.28 -0.67 0.00 0.00 178.83 179.15 1uhs h VAL 13 N 0.60 0.97 0.01 -0.54 2.07 -1.21 0.22 116.25 118.36 1uhs h VAL 13 Ca 0.03 -1.31 -0.20 0.00 0.82 0.00 0.00 66.70 66.04 1uhs h VAL 13 Cb 1.06 1.77 -0.02 0.00 -1.52 0.00 0.00 31.29 32.58 1uhs h VAL 13 CO 0.10 0.34 -0.92 -0.33 0.02 0.00 0.00 177.57 176.79 1uhs h GLU 14 N 0.00 0.08 0.11 1.57 5.08 -0.87 -2.88 114.58 117.66 1uhs h GLU 14 Ca -0.00 -0.10 -0.30 0.00 -1.00 0.00 0.00 59.36 57.95 1uhs h GLU 14 Cb 0.74 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 30.01 1uhs h GLU 14 CO 0.04 0.94 -1.61 0.82 -1.00 0.00 0.00 179.01 178.20 1uhs h ILE 15 N 0.04 0.87 0.00 3.13 2.04 -1.24 -3.21 117.51 119.13 1uhs h ILE 15 Ca -0.03 -2.35 -0.02 0.00 1.00 0.00 0.00 64.86 63.46 1uhs h ILE 15 Cb 1.59 2.57 -0.00 0.00 -0.74 0.00 0.00 36.82 40.23 1uhs h ILE 15 CO 0.13 0.72 -0.07 -0.07 0.00 0.00 0.00 178.15 178.85 1uhs h LEU 16 N -0.26 0.00 -0.05 1.44 3.38 -0.69 -2.05 115.31 117.08 1uhs h LEU 16 Ca -0.35 0.00 -0.25 0.00 0.09 0.00 0.00 57.88 57.36 1uhs h LEU 16 Cb 1.80 0.00 0.01 0.00 0.09 0.00 0.00 40.66 42.56 1uhs h LEU 16 CO 0.03 0.07 -1.07 -0.33 0.09 0.00 0.00 178.44 177.23 1uhs h GLU 17 N 0.00 0.40 0.00 1.13 5.08 -1.65 -3.21 114.58 116.34 1uhs h GLU 17 Ca -0.00 -0.51 -0.05 0.00 -1.00 0.00 0.00 59.36 57.80 1uhs h GLU 17 Cb 0.14 0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.54 1uhs h GLU 17 CO 0.01 1.18 -0.26 -0.92 -1.00 0.00 0.00 179.01 178.02 1uhs h TYR 18 N 0.19 0.00 -0.67 4.33 5.03 -1.39 -2.18 116.97 122.29 1uhs h TYR 18 Ca -0.11 0.00 -0.28 0.00 2.58 0.00 0.00 58.73 60.92 1uhs h TYR 18 Cb 1.74 0.00 -0.17 0.00 1.55 0.00 0.00 36.73 39.85 1uhs h TYR 18 CO 0.07 0.26 0.35 0.09 -1.32 0.00 0.00 178.16 177.61 1uhs n ASN 19 N -4.06 3.93 0.00 -2.11 3.02 -0.95 -2.73 115.26 112.36 1uhs n ASN 19 Ca -0.02 -3.08 0.00 0.00 -0.03 0.00 0.00 54.58 51.45 1uhs n ASN 19 Cb 0.32 -0.73 0.00 0.00 -0.61 0.00 0.00 39.78 38.77 1uhs n ASN 19 CO 0.00 0.00 0.00 0.33 -2.62 0.00 0.00 177.26 174.97 1uhs n PHE 20 N -0.38 0.00 -0.08 3.10 7.35 -0.84 -4.22 117.46 122.39 1uhs n PHE 20 Ca 0.39 0.00 -0.07 0.00 -0.76 0.00 0.00 57.45 57.00 1uhs n PHE 20 Cb 1.28 0.00 -0.13 0.00 0.35 0.00 0.00 39.48 40.98 1uhs n PHE 20 CO 0.00 0.00 0.00 0.09 -0.76 0.00 0.00 176.76 176.09 1uhs n ASN 21 N -2.08 1.02 -1.85 -2.13 3.02 -1.11 -3.76 115.26 108.37 1uhs n ASN 21 Ca 0.00 0.00 -0.12 0.00 -0.03 0.00 0.00 54.58 54.43 1uhs n ASN 21 Cb 0.30 0.94 0.23 0.00 -0.61 0.00 0.00 39.78 40.64 1uhs n ASN 21 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1uhs n LYS 22 N -2.58 2.74 0.00 3.52 4.01 -1.10 -4.73 118.16 120.02 1uhs n LYS 22 Ca -0.25 -3.07 0.00 0.00 -0.51 0.00 0.00 58.31 54.48 1uhs n LYS 22 Cb 1.00 -2.10 0.00 0.00 -0.51 0.00 0.00 35.03 33.42 1uhs n LYS 22 CO 0.00 0.00 0.00 0.28 -1.11 0.00 0.00 177.40 176.57 1uhs n VAL 23 N -0.75 0.00 -3.98 -0.18 0.31 -1.26 -4.88 118.33 107.58 1uhs n VAL 23 Ca 0.46 0.00 0.02 0.00 -0.01 0.00 0.00 64.34 64.81 1uhs n VAL 23 Cb 1.40 0.00 0.01 0.00 -0.91 0.00 0.00 33.84 34.34 1uhs n VAL 23 CO 0.00 0.00 0.00 -0.46 -1.32 0.00 0.00 176.83 175.05 1uhs n ASN 24 N -2.37 -0.83 -0.03 4.52 0.23 -1.25 -5.00 115.26 110.53 1uhs n ASN 24 Ca 0.00 -1.13 -0.04 0.00 -0.53 0.00 0.00 54.58 52.88 1uhs n ASN 24 Cb 0.00 1.27 -0.04 0.00 -2.08 0.00 0.00 39.78 38.93 1uhs n ASN 24 CO 0.00 0.00 0.00 0.29 -0.93 0.00 0.00 177.26 176.62 1uhs n LYS 25 N -0.68 1.32 -3.07 -3.83 4.01 -1.26 -3.89 118.16 110.75 1uhs n LYS 25 Ca 0.04 0.03 -0.29 0.00 -0.51 0.00 0.00 58.31 57.58 1uhs n LYS 25 Cb 0.42 -1.15 -0.05 0.00 -0.51 0.00 0.00 35.03 33.74 1uhs n LYS 25 CO 0.00 0.00 0.00 0.72 -1.11 0.00 0.00 177.40 177.01 1uhs n HIS 26 N -2.52 3.79 -2.26 2.13 8.25 -1.26 -4.92 115.22 118.43 1uhs n HIS 26 Ca -0.12 -3.90 -0.39 0.00 -0.26 0.00 0.00 57.72 53.05 1uhs n HIS 26 Cb 0.66 -0.59 -0.02 0.00 1.12 0.00 0.00 29.99 31.16 1uhs n HIS 26 CO 0.00 0.00 0.00 -1.25 0.64 0.00 0.00 176.34 175.73 1uhs s PRO 27 N -3.21 4.20 0.84 -0.41 0.04 -1.26 -5.02 135.00 130.17 1uhs s PRO 27 Ca 0.45 1.94 -0.11 0.00 0.04 0.00 0.00 61.00 63.32 1uhs s PRO 27 Cb 0.23 -2.85 0.09 0.00 0.04 0.00 0.00 34.50 32.01 1uhs s PRO 27 CO -0.09 -0.22 1.09 0.16 0.04 0.00 0.00 177.00 177.98 1uhs s ASP 28 N -0.92 3.97 0.59 6.66 -4.77 -1.26 -4.66 116.67 116.29 1uhs s ASP 28 Ca 0.53 1.61 0.29 0.00 -3.30 0.00 0.00 52.55 51.68 1uhs s ASP 28 Cb -0.33 -2.31 1.44 0.00 -1.09 0.00 0.00 42.92 40.62 1uhs s ASP 28 CO 0.43 -2.34 1.84 -0.65 0.70 0.00 0.00 175.17 175.15 1uhs h PRO 29 N -1.34 0.00 0.10 2.11 0.11 -1.97 0.07 132.00 131.08 1uhs h PRO 29 Ca -0.47 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.64 1uhs h PRO 29 Cb 1.26 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.37 1uhs h PRO 29 CO 0.54 0.00 -0.05 1.15 -0.21 0.00 0.00 178.00 179.43 1uhs h THR 30 N 0.00 1.06 -0.02 -1.15 2.02 -2.00 -1.26 112.91 111.56 1uhs h THR 30 Ca 0.23 -0.67 -0.17 0.00 0.77 0.00 0.00 66.41 66.57 1uhs h THR 30 Cb 1.31 1.49 -0.01 0.00 -1.74 0.00 0.00 68.15 69.20 1uhs h THR 30 CO -0.00 0.16 -0.75 0.74 0.37 0.00 0.00 175.52 176.04 1uhs h THR 31 N -0.45 1.46 -0.46 3.16 2.02 -1.53 -3.17 112.91 113.94 1uhs h THR 31 Ca -0.01 -2.35 -0.08 0.00 0.77 0.00 0.00 66.41 64.74 1uhs h THR 31 Cb 0.37 2.27 -0.02 0.00 -1.74 0.00 0.00 68.15 69.03 1uhs h THR 31 CO 0.02 0.69 -0.02 0.25 0.37 0.00 0.00 175.52 176.83 1uhs h LEU 32 N 0.12 0.74 -1.18 2.58 5.85 -1.03 -2.65 115.31 119.73 1uhs h LEU 32 Ca -0.02 -0.18 -0.02 0.00 0.84 0.00 0.00 57.88 58.49 1uhs h LEU 32 Cb 1.32 -0.20 -0.03 0.00 0.37 0.00 0.00 40.66 42.12 1uhs h LEU 32 CO 0.11 0.82 0.30 0.00 -0.34 0.00 0.00 178.44 179.34 1uhs h LEU 34 N 0.87 0.78 -0.62 0.00 3.38 -1.52 -2.67 115.31 115.53 1uhs h LEU 34 Ca 0.22 -0.29 -0.14 0.00 0.09 0.00 0.00 57.88 57.76 1uhs h LEU 34 Cb 0.08 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.61 1uhs h LEU 34 CO -0.03 1.00 -0.41 0.40 0.09 0.00 0.00 178.44 179.49 1uhs h ILE 35 N 0.66 1.30 0.03 1.22 2.04 -1.17 -1.95 117.51 119.63 1uhs h ILE 35 Ca 0.09 -1.58 -0.00 0.00 1.00 0.00 0.00 64.86 64.36 1uhs h ILE 35 Cb 0.76 1.54 0.00 0.00 -0.74 0.00 0.00 36.82 38.38 1uhs h ILE 35 CO 0.06 0.50 -0.02 0.00 0.00 0.00 0.00 178.15 178.70 1uhs h ALA 36 N 1.04 -0.04 0.00 1.87 0.00 -1.14 -2.30 119.26 118.69 1uhs h ALA 36 Ca 0.04 -0.09 -0.07 0.00 0.00 0.00 0.00 54.91 54.80 1uhs h ALA 36 Cb 0.93 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.73 1uhs h ALA 36 CO 0.08 -0.45 -0.32 0.00 0.00 0.00 0.00 179.25 178.57 1uhs h ALA 37 N 0.76 1.46 0.06 0.00 0.00 -1.49 0.94 119.26 120.99 1uhs h ALA 37 Ca -0.00 -0.29 -0.00 0.00 0.00 0.00 0.00 54.91 54.61 1uhs h ALA 37 Cb 0.18 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.92 1uhs h ALA 37 CO 0.01 0.40 -0.03 1.49 0.00 0.00 0.00 179.25 181.12 1uhs h GLU 38 N 0.00 -0.07 -0.17 0.00 4.81 -1.10 -3.29 114.58 114.75 1uhs h GLU 38 Ca -0.00 0.01 -0.08 0.00 -0.13 0.00 0.00 59.36 59.15 1uhs h GLU 38 Cb 0.57 0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.95 1uhs h GLU 38 CO 0.04 -0.05 -0.26 0.00 -0.73 0.00 0.00 179.01 178.01 1uhs h ALA 39 N -1.95 1.24 0.00 2.92 0.00 -1.49 -3.47 119.26 116.51 1uhs h ALA 39 Ca -0.01 -0.32 0.00 0.00 0.00 0.00 0.00 54.91 54.58 1uhs h ALA 39 Cb 0.06 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.75 1uhs h ALA 39 CO 0.01 0.50 0.00 0.41 0.00 0.00 0.00 179.25 180.18 1uhs n GLY 40 N -0.48 1.81 0.46 0.00 0.00 0.95 -4.88 105.19 103.05 1uhs n GLY 40 Ca -0.01 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.98 1uhs n GLY 40 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1uhs n LEU 41 N 0.00 0.00 -4.59 0.99 4.77 0.29 -4.96 117.00 113.50 1uhs n LEU 41 Ca 0.00 -0.35 -0.24 0.00 -0.03 0.00 0.00 56.01 55.39 1uhs n LEU 41 Cb 0.00 0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.01 1uhs n LEU 41 CO 0.00 -0.27 -0.37 0.42 -1.33 0.00 0.00 177.39 175.84 1uhs s THR 42 N -0.41 3.01 0.53 -5.08 -4.23 -1.26 -4.01 115.64 104.18 1uhs s THR 42 Ca 0.03 -2.08 0.20 0.00 -1.18 0.00 0.00 61.69 58.66 1uhs s THR 42 Cb -0.00 -2.66 0.31 0.00 1.34 0.00 0.00 72.50 71.48 1uhs s THR 42 CO 0.02 -0.35 2.12 -0.33 -0.54 0.00 0.00 174.62 175.54 1uhs h GLU 43 N 1.99 0.00 -0.13 3.99 5.08 -1.94 0.20 114.58 123.77 1uhs h GLU 43 Ca -0.43 0.00 -0.21 0.00 -1.00 0.00 0.00 59.36 57.72 1uhs h GLU 43 Cb 1.25 0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.51 1uhs h GLU 43 CO 0.61 0.00 -0.77 1.49 -1.00 0.00 0.00 179.01 179.34 1uhs h GLU 44 N 0.00 0.70 0.03 2.33 4.57 -1.98 -2.69 114.58 117.54 1uhs h GLU 44 Ca 0.06 -0.57 -0.13 0.00 -1.18 0.00 0.00 59.36 57.54 1uhs h GLU 44 Cb 0.24 0.12 0.01 0.00 -0.16 0.00 0.00 28.75 28.96 1uhs h GLU 44 CO -0.00 1.18 -0.53 1.96 -1.18 0.00 0.00 179.01 180.45 1uhs h GLN 45 N 0.48 0.31 -0.10 1.92 4.20 -1.68 -3.19 115.11 117.04 1uhs h GLN 45 Ca -0.05 -0.37 0.03 0.00 0.06 0.00 0.00 58.65 58.32 1uhs h GLN 45 Cb 1.38 0.11 -0.00 0.00 0.30 0.00 0.00 27.48 29.27 1uhs h GLN 45 CO 0.15 1.08 0.07 1.15 -0.67 0.00 0.00 178.83 180.61 1uhs h THR 46 N -0.30 0.95 -0.43 -0.54 2.02 -0.74 -1.65 112.91 112.22 1uhs h THR 46 Ca -0.07 0.00 -0.15 0.00 0.77 0.00 0.00 66.41 66.96 1uhs h THR 46 Cb 1.29 0.95 -0.01 0.00 -1.74 0.00 0.00 68.15 68.64 1uhs h THR 46 CO 0.10 0.00 -0.31 -0.61 0.37 0.00 0.00 175.52 175.07 1uhs h GLN 47 N 0.00 0.96 -0.77 6.66 4.15 -1.51 -2.83 115.11 121.77 1uhs h GLN 47 Ca 0.05 -0.46 -0.05 0.00 0.77 0.00 0.00 58.65 58.95 1uhs h GLN 47 Cb 0.18 -0.00 -0.03 0.00 0.21 0.00 0.00 27.48 27.83 1uhs h GLN 47 CO -0.00 1.13 0.28 0.87 -1.93 0.00 0.00 178.83 179.18 1uhs h LYS 48 N 0.80 1.17 -0.02 1.69 1.79 -1.30 -0.42 116.57 120.29 1uhs h LYS 48 Ca 0.08 -0.23 -0.00 0.00 -2.18 0.00 0.00 60.65 58.33 1uhs h LYS 48 Cb 0.90 -0.18 -0.00 0.00 -1.58 0.00 0.00 32.23 31.37 1uhs h LYS 48 CO 0.08 0.96 0.01 2.35 -1.08 0.00 0.00 179.45 181.78 1uhs h TRP 49 N 1.13 0.02 -0.18 -1.35 7.01 -1.41 0.28 115.95 121.46 1uhs h TRP 49 Ca 0.25 -0.00 -0.08 0.00 2.11 0.00 0.00 58.89 61.18 1uhs h TRP 49 Cb 0.25 -0.01 -0.01 0.00 -2.10 0.00 0.00 29.16 27.29 1uhs h TRP 49 CO 0.02 0.07 -0.23 0.74 -2.79 0.00 0.00 178.44 176.25 1uhs h PHE 50 N -0.03 0.35 -0.17 2.65 -1.00 -1.36 0.11 116.94 117.48 1uhs h PHE 50 Ca 0.01 -0.06 -0.05 0.00 2.81 0.00 0.00 57.97 60.67 1uhs h PHE 50 Cb 0.06 -0.09 -0.00 0.00 3.61 0.00 0.00 35.95 39.52 1uhs h PHE 50 CO -0.06 0.53 -0.09 -0.22 -1.61 0.00 0.00 178.31 176.86 1uhs h LYS 51 N 0.29 0.36 -0.07 1.51 3.11 -0.74 -1.26 116.57 119.76 1uhs h LYS 51 Ca 0.05 -0.16 -0.05 0.00 -2.81 0.00 0.00 60.65 57.68 1uhs h LYS 51 Cb 0.57 -0.01 0.00 0.00 -1.00 0.00 0.00 32.23 31.79 1uhs h LYS 51 CO 0.04 0.68 -0.15 1.96 -2.81 0.00 0.00 179.45 179.16 1uhs h GLN 52 N 0.03 0.22 -0.25 1.90 4.20 -0.83 -3.17 115.11 117.21 1uhs h GLN 52 Ca 0.04 -0.15 0.01 0.00 0.06 0.00 0.00 58.65 58.61 1uhs h GLN 52 Cb 0.58 0.02 -0.01 0.00 0.30 0.00 0.00 27.48 28.37 1uhs h GLN 52 CO 0.03 0.75 0.17 -0.09 -0.67 0.00 0.00 178.83 179.02 1uhs h ARG 53 N -0.28 0.30 -0.33 1.46 9.65 -0.86 -1.40 114.38 122.91 1uhs h ARG 53 Ca -0.00 -0.02 -0.03 0.00 -1.10 0.00 0.00 59.98 58.83 1uhs h ARG 53 Cb 0.75 -0.07 -0.02 0.00 -1.39 0.00 0.00 29.97 29.25 1uhs h ARG 53 CO 0.03 0.20 0.06 -0.07 2.80 0.00 0.00 179.97 182.99 1uhs h LEU 54 N 0.30 0.45 -2.06 3.80 3.38 -1.20 -1.93 115.31 118.05 1uhs h LEU 54 Ca 0.10 -0.06 0.03 0.00 0.09 0.00 0.00 57.88 58.04 1uhs h LEU 54 Cb 0.02 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 40.65 1uhs h LEU 54 CO -0.02 0.47 0.09 0.00 0.09 0.00 0.00 178.44 179.07 1uhs h ALA 55 N 1.59 2.04 0.14 1.53 0.00 -1.24 -1.28 119.26 122.03 1uhs h ALA 55 Ca 0.11 -0.00 -0.34 0.00 0.00 0.00 0.00 54.91 54.67 1uhs h ALA 55 Cb 0.22 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 1uhs h ALA 55 CO -0.00 -0.14 -1.79 0.93 0.00 0.00 0.00 179.25 178.24 1uhs h GLU 56 N 0.00 0.30 -0.95 0.00 4.39 -1.45 -3.35 114.58 113.53 1uhs h GLU 56 Ca 0.05 -0.52 0.01 0.00 0.34 0.00 0.00 59.36 59.25 1uhs h GLU 56 Cb 0.22 0.19 -0.05 0.00 -0.10 0.00 0.00 28.75 29.02 1uhs h GLU 56 CO -0.00 1.20 0.63 2.35 -1.16 0.00 0.00 179.01 182.02 1uhs h TRP 57 N 0.08 1.19 -0.13 4.33 7.01 -0.84 -1.45 115.95 126.13 1uhs h TRP 57 Ca -0.35 0.03 0.02 0.00 2.11 0.00 0.00 58.89 60.70 1uhs h TRP 57 Cb 2.06 -0.40 -0.01 0.00 -2.10 0.00 0.00 29.16 28.71 1uhs h TRP 57 CO 0.08 0.75 0.09 0.00 -2.79 0.00 0.00 178.44 176.57 1uhs h ARG 58 N 1.28 0.10 0.03 2.65 3.08 -1.40 -0.42 114.38 119.70 1uhs h ARG 58 Ca 0.35 -0.01 -0.22 0.00 0.07 0.00 0.00 59.98 60.17 1uhs h ARG 58 Cb -0.15 -0.02 -0.02 0.00 0.08 0.00 0.00 29.97 29.86 1uhs h ARG 58 CO -0.08 0.07 -1.02 0.00 -1.07 0.00 0.00 179.97 177.87 1uhs h ARG 59 N 0.10 0.08 0.25 0.04 2.47 -1.42 -2.05 114.38 113.85 1uhs h ARG 59 Ca 0.05 -0.12 -0.01 0.00 -1.26 0.00 0.00 59.98 58.64 1uhs h ARG 59 Cb 0.09 0.04 0.00 0.00 -1.65 0.00 0.00 29.97 28.46 1uhs h ARG 59 CO -0.01 1.03 -0.12 1.03 0.56 0.00 0.00 179.97 182.46 1uhs h SER 60 N 0.03 -0.29 0.19 7.04 0.87 -0.54 -3.36 113.55 117.49 1uhs h SER 60 Ca -0.04 0.01 -0.01 0.00 -1.23 0.00 0.00 61.79 60.52 1uhs h SER 60 Cb 1.76 0.07 0.00 0.00 -0.44 0.00 0.00 62.40 63.79 1uhs h SER 60 CO 0.14 0.03 -0.09 -0.33 -0.53 0.00 0.00 176.83 176.06 1uhs h GLU 61 N -0.82 -0.25 0.00 2.24 4.39 -1.29 -3.49 114.58 115.36 1uhs h GLU 61 Ca -0.03 0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.68 1uhs h GLU 61 Cb 0.26 0.06 0.00 0.00 -0.10 0.00 0.00 28.75 28.97 1uhs h GLU 61 CO 0.06 -0.14 0.00 0.41 -1.16 0.00 0.00 179.01 178.18 1uhs n GLY 62 N -1.11 2.44 3.25 -3.84 0.00 -0.77 -5.10 105.19 100.05 1uhs n GLY 62 Ca -0.09 -1.22 -0.09 0.00 0.00 0.00 0.00 46.02 44.62 1uhs n GLY 62 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1uhs s LEU 63 N 0.00 1.33 0.00 0.99 1.02 -1.22 -5.02 118.68 115.78 1uhs s LEU 63 Ca 0.00 -0.80 0.00 0.00 0.02 0.00 0.00 54.13 53.35 1uhs s LEU 63 Cb 0.00 0.99 0.00 0.00 0.02 0.00 0.00 46.19 47.20 1uhs s LEU 63 CO 0.00 -0.79 0.00 -0.81 0.02 0.00 0.00 176.35 174.77 1uhs n PRO 64 N -0.11 -0.63 -4.40 1.29 -0.04 -1.26 -5.07 135.00 124.78 1uhs n PRO 64 Ca -0.11 0.00 -0.19 0.00 -0.04 0.00 0.00 63.50 63.16 1uhs n PRO 64 Cb 0.63 0.00 -0.14 0.00 -0.04 0.00 0.00 33.50 33.94 1uhs n PRO 64 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 1uhs s SER 65 N -1.53 1.28 -1.13 3.54 1.04 -1.26 -5.08 113.70 110.56 1uhs s SER 65 Ca 0.00 -0.26 -0.09 0.00 0.48 0.00 0.00 55.95 56.07 1uhs s SER 65 Cb 0.00 -0.12 0.26 0.00 0.10 0.00 0.00 66.02 66.27 1uhs s SER 65 CO 0.00 0.09 1.23 -0.62 0.98 0.00 0.00 173.24 174.92 1uhs n GLU 66 N 2.55 3.64 -3.56 4.02 1.02 -1.26 -4.94 120.64 122.10 1uhs n GLU 66 Ca -0.15 -4.35 -0.15 0.00 -0.02 0.00 0.00 57.16 52.49 1uhs n GLU 66 Cb 0.56 -2.63 -0.13 0.00 -0.02 0.00 0.00 31.44 29.22 1uhs n GLU 66 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1uhs s ARG 68 N 2.39 4.03 0.15 0.00 3.03 -1.26 -5.04 118.95 122.24 1uhs s ARG 68 Ca 0.05 0.68 0.09 0.00 2.03 0.00 0.00 55.73 58.58 1uhs s ARG 68 Cb -0.14 -3.70 -0.04 0.00 -1.03 0.00 0.00 34.95 30.04 1uhs s ARG 68 CO -0.10 -0.63 -0.20 -1.12 -1.13 0.00 0.00 175.30 172.11 1uhs s SER 69 N 1.55 2.77 0.27 -2.89 0.01 -1.20 -5.04 113.70 109.17 1uhs s SER 69 Ca 0.33 -0.82 0.09 0.00 1.31 0.00 0.00 55.95 56.86 1uhs s SER 69 Cb -0.14 -0.17 0.34 0.00 0.21 0.00 0.00 66.02 66.26 1uhs s SER 69 CO 0.11 0.02 1.61 -0.37 0.41 0.00 0.00 173.24 175.01 1uhs h VAL 70 N 3.46 1.41 0.00 3.43 -1.51 -2.10 -3.34 116.25 117.60 1uhs h VAL 70 Ca -0.44 -2.02 -0.40 0.00 -1.23 0.00 0.00 66.70 62.61 1uhs h VAL 70 Cb 1.20 2.07 -0.06 0.00 -2.13 0.00 0.00 31.29 32.37 1uhs h VAL 70 CO 0.47 0.58 -2.23 0.41 -1.23 0.00 0.00 177.57 175.58 1uhs n THR 71 N -3.85 1.53 1.50 7.19 -1.04 -1.26 -5.37 114.28 112.99 1uhs n THR 71 Ca -0.02 -0.29 0.14 0.00 -2.04 0.00 0.00 64.05 61.84 1uhs n THR 71 Cb 0.60 -1.93 0.53 0.00 -1.82 0.00 0.00 70.33 67.71 1uhs n THR 71 CO 0.00 0.00 0.00 0.47 -0.64 0.00 0.00 175.07 174.90