#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1uhs n SER 2 N 0.00 -0.18 -4.15 1.61 3.41 -1.26 -5.15 113.62 107.90 1uhs n SER 2 Ca 0.00 -1.05 -0.31 0.00 -0.26 0.00 0.00 58.87 57.25 1uhs n SER 2 Cb 0.00 0.28 -0.17 0.00 -0.26 0.00 0.00 64.21 64.06 1uhs n SER 2 CO 0.00 0.00 0.00 -0.70 -0.16 0.00 0.00 175.04 174.18 1uhs s GLU 3 N -2.00 2.74 0.00 4.33 2.12 -1.26 -5.11 118.70 119.52 1uhs s GLU 3 Ca 0.04 -0.76 0.00 0.00 0.36 0.00 0.00 54.97 54.61 1uhs s GLU 3 Cb -0.00 -2.19 0.00 0.00 0.26 0.00 0.00 34.13 32.20 1uhs s GLU 3 CO 0.00 0.03 0.00 0.41 -0.54 0.00 0.00 175.26 175.16 1uhs n GLY 4 N 3.92 5.13 3.55 -1.50 0.00 -1.26 -5.10 105.19 109.92 1uhs n GLY 4 Ca -0.20 -1.69 0.12 0.00 0.00 0.00 0.00 46.02 44.25 1uhs n GLY 4 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1uhs n ALA 5 N -3.00 -2.29 -3.55 4.61 0.00 -1.26 -4.86 120.51 110.15 1uhs n ALA 5 Ca 0.00 0.28 -0.20 0.00 0.00 0.00 0.00 53.44 53.52 1uhs n ALA 5 Cb 0.00 -0.79 -0.14 0.00 0.00 0.00 0.00 19.45 18.51 1uhs n ALA 5 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1uhs s ALA 6 N -2.12 -0.08 -0.77 0.00 0.00 -1.26 -4.87 121.76 112.65 1uhs s ALA 6 Ca 0.00 0.18 -0.02 0.00 0.00 0.00 0.00 51.96 52.12 1uhs s ALA 6 Cb 0.00 -1.15 0.02 0.00 0.00 0.00 0.00 23.12 21.98 1uhs s ALA 6 CO 0.00 -1.07 0.10 0.25 0.00 0.00 0.00 175.76 175.03 1uhs n THR 7 N 5.31 -0.45 -3.05 0.00 -2.24 -1.26 -4.92 114.28 107.68 1uhs n THR 7 Ca -0.06 0.00 -0.21 0.00 -2.27 0.00 0.00 64.05 61.51 1uhs n THR 7 Cb 0.49 -1.16 0.01 0.00 -2.10 0.00 0.00 70.33 67.58 1uhs n THR 7 CO 0.00 0.00 0.00 -0.04 -0.57 0.00 0.00 175.07 174.46 1uhs s MET 8 N -5.25 2.98 0.24 -0.78 -1.94 -1.26 -5.12 119.30 108.18 1uhs s MET 8 Ca 0.09 -0.70 0.06 0.00 -1.71 0.00 0.00 55.69 53.43 1uhs s MET 8 Cb -0.05 -2.62 -0.03 0.00 2.01 0.00 0.00 34.83 34.13 1uhs s MET 8 CO 0.11 -0.26 0.27 0.95 -0.01 0.00 0.00 175.02 176.08 1uhs s THR 9 N -2.48 4.84 0.48 2.05 -4.23 -1.26 -5.00 115.64 110.03 1uhs s THR 9 Ca 0.49 -1.19 0.13 0.00 -1.18 0.00 0.00 61.69 59.95 1uhs s THR 9 Cb -0.10 -3.61 0.26 0.00 1.34 0.00 0.00 72.50 70.39 1uhs s THR 9 CO 0.36 -0.33 2.11 -0.08 -0.54 0.00 0.00 174.62 176.14 1uhs h GLU 10 N 1.40 0.15 -0.06 3.99 4.22 -1.99 -1.12 114.58 121.17 1uhs h GLU 10 Ca -0.50 -0.01 -0.10 0.00 0.08 0.00 0.00 59.36 58.82 1uhs h GLU 10 Cb 1.23 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 30.44 1uhs h GLU 10 CO 0.61 0.12 -0.45 -0.44 -2.18 0.00 0.00 179.01 176.67 1uhs h ASP 11 N 0.16 0.14 -0.02 1.04 5.19 -1.97 -0.69 116.42 120.27 1uhs h ASP 11 Ca 0.04 -0.06 -0.02 0.00 -0.62 0.00 0.00 57.03 56.37 1uhs h ASP 11 Cb 0.01 -0.04 0.00 0.00 0.18 0.00 0.00 39.33 39.48 1uhs h ASP 11 CO -0.01 0.57 -0.08 1.56 -3.12 0.00 0.00 179.24 178.17 1uhs h GLN 12 N 0.11 0.08 -0.18 3.56 4.20 -1.51 -3.10 115.11 118.28 1uhs h GLN 12 Ca 0.01 -0.07 -0.09 0.00 0.06 0.00 0.00 58.65 58.57 1uhs h GLN 12 Cb 0.83 0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.61 1uhs h GLN 12 CO 0.06 0.72 -0.27 0.28 -0.67 0.00 0.00 178.83 178.96 1uhs h VAL 13 N -0.53 1.26 -0.86 -0.54 2.07 -1.42 0.13 116.25 116.35 1uhs h VAL 13 Ca -0.00 -1.21 0.01 0.00 0.82 0.00 0.00 66.70 66.31 1uhs h VAL 13 Cb 0.73 1.42 -0.04 0.00 -1.52 0.00 0.00 31.29 31.88 1uhs h VAL 13 CO 0.02 0.37 0.57 -0.33 0.02 0.00 0.00 177.57 178.22 1uhs h GLU 14 N 0.29 1.13 0.02 1.57 5.08 -1.16 0.11 114.58 121.62 1uhs h GLU 14 Ca 0.04 -0.07 -0.30 0.00 -1.00 0.00 0.00 59.36 58.04 1uhs h GLU 14 Cb 0.63 -0.26 -0.04 0.00 0.50 0.00 0.00 28.75 29.58 1uhs h GLU 14 CO 0.05 0.75 -1.68 0.82 -1.00 0.00 0.00 179.01 177.94 1uhs h ILE 15 N 1.17 0.90 -0.43 3.13 2.04 -1.42 -2.97 117.51 119.92 1uhs h ILE 15 Ca 0.32 -2.71 -0.08 0.00 1.00 0.00 0.00 64.86 63.38 1uhs h ILE 15 Cb -0.13 2.48 -0.01 0.00 -0.74 0.00 0.00 36.82 38.42 1uhs h ILE 15 CO -0.07 0.59 -0.05 -0.07 0.00 0.00 0.00 178.15 178.55 1uhs h LEU 16 N 0.01 0.80 -0.16 1.44 3.38 -0.47 -2.45 115.31 117.86 1uhs h LEU 16 Ca -0.28 -0.34 -0.20 0.00 0.09 0.00 0.00 57.88 57.15 1uhs h LEU 16 Cb 2.00 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 42.51 1uhs h LEU 16 CO 0.09 0.94 -0.94 -0.33 0.09 0.00 0.00 178.44 178.30 1uhs h GLU 17 N 0.63 0.04 -0.51 1.13 5.08 -0.95 -3.21 114.58 116.80 1uhs h GLU 17 Ca 0.12 -0.06 -0.05 0.00 -1.00 0.00 0.00 59.36 58.37 1uhs h GLU 17 Cb 0.57 0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.81 1uhs h GLU 17 CO 0.03 0.94 0.12 -0.92 -1.00 0.00 0.00 179.01 178.19 1uhs h TYR 18 N 0.02 0.80 -0.40 4.33 5.03 -1.42 -1.55 116.97 123.78 1uhs h TYR 18 Ca -0.02 -0.07 0.00 0.00 2.58 0.00 0.00 58.73 61.22 1uhs h TYR 18 Cb 1.64 -0.24 0.00 0.00 1.55 0.00 0.00 36.73 39.68 1uhs h TYR 18 CO 0.01 0.68 0.00 0.09 -1.32 0.00 0.00 178.16 177.62 1uhs n ASN 19 N -4.28 3.77 0.00 -2.11 3.02 -0.93 -2.51 115.26 112.22 1uhs n ASN 19 Ca 0.04 -2.48 0.00 0.00 -0.03 0.00 0.00 54.58 52.11 1uhs n ASN 19 Cb 0.22 -0.56 0.00 0.00 -0.61 0.00 0.00 39.78 38.83 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 0.52 0.00 -0.01 3.10 7.35 -0.71 -3.52 117.46 124.19 1uhs n PHE 20 Ca 0.18 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.87 1uhs n PHE 20 Cb 0.77 0.00 -0.03 0.00 0.35 0.00 0.00 39.48 40.57 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 -1.32 4.12 -0.12 -2.13 3.02 -0.67 -3.93 115.26 114.24 1uhs n ASN 21 Ca 0.00 0.00 -0.17 0.00 -0.03 0.00 0.00 54.58 54.38 1uhs n ASN 21 Cb 0.11 0.91 -0.11 0.00 -0.61 0.00 0.00 39.78 40.08 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 -1.86 0.57 0.00 3.52 4.01 -1.04 -4.83 118.16 118.53 1uhs n LYS 22 Ca -0.03 0.14 0.00 0.00 -0.51 0.00 0.00 58.31 57.91 1uhs n LYS 22 Cb 0.34 -1.46 0.00 0.00 -0.51 0.00 0.00 35.03 33.40 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 -3.25 0.00 -3.55 -0.18 0.31 -1.17 -5.04 118.33 105.44 1uhs n VAL 23 Ca -0.42 0.43 -0.06 0.00 -0.01 0.00 0.00 64.34 64.28 1uhs n VAL 23 Cb 0.93 -1.33 -0.02 0.00 -0.91 0.00 0.00 33.84 32.51 1uhs n VAL 23 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 1uhs s ASN 24 N -2.96 -0.25 -0.13 4.52 2.20 -1.23 -4.99 114.94 112.10 1uhs s ASN 24 Ca 0.00 -0.00 -0.05 0.00 -0.94 0.00 0.00 52.86 51.87 1uhs s ASN 24 Cb 0.00 0.26 -0.25 0.00 -2.00 0.00 0.00 41.25 39.26 1uhs s ASN 24 CO 0.00 -0.42 0.31 0.29 -2.94 0.00 0.00 177.10 174.34 1uhs n LYS 25 N -0.17 0.75 -3.23 3.55 4.01 -1.25 -3.66 118.16 118.15 1uhs n LYS 25 Ca -0.04 0.25 -0.30 0.00 -0.51 0.00 0.00 58.31 57.71 1uhs n LYS 25 Cb 0.60 -1.69 -0.05 0.00 -0.51 0.00 0.00 35.03 33.37 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 -3.45 3.50 -1.28 2.13 8.25 -1.26 -4.95 115.22 118.15 1uhs n HIS 26 Ca -0.33 -3.83 -0.30 0.00 -0.26 0.00 0.00 57.72 53.00 1uhs n HIS 26 Cb 1.04 -0.67 0.22 0.00 1.12 0.00 0.00 29.99 31.70 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 -2.81 -0.59 0.42 -0.41 0.04 -1.26 -5.08 135.00 125.32 1uhs s PRO 27 Ca 0.40 -0.07 0.07 0.00 0.04 0.00 0.00 61.00 61.45 1uhs s PRO 27 Cb 0.16 -1.67 0.01 0.00 0.04 0.00 0.00 34.50 33.04 1uhs s PRO 27 CO -0.02 -3.29 0.58 -0.51 0.04 0.00 0.00 177.00 173.80 1uhs s ASP 28 N -4.07 5.66 0.57 6.66 1.01 -1.26 -4.93 116.67 120.31 1uhs s ASP 28 Ca 0.71 -0.35 0.27 0.00 0.71 0.00 0.00 52.55 53.88 1uhs s ASP 28 Cb -0.10 -0.74 1.57 0.00 1.01 0.00 0.00 42.92 44.66 1uhs s ASP 28 CO 0.55 -0.76 2.08 -0.65 0.21 0.00 0.00 175.17 176.61 1uhs h PRO 29 N 0.61 0.00 -0.01 8.23 0.11 -1.98 -1.30 132.00 137.67 1uhs h PRO 29 Ca -0.41 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.70 1uhs h PRO 29 Cb 1.28 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.39 1uhs h PRO 29 CO 0.47 0.00 -0.00 1.15 -0.21 0.00 0.00 178.00 179.40 1uhs h THR 30 N 0.00 1.32 -0.40 -1.15 2.02 -2.00 -2.05 112.91 110.66 1uhs h THR 30 Ca 0.11 -0.96 -0.09 0.00 0.77 0.00 0.00 66.41 66.24 1uhs h THR 30 Cb 0.54 1.96 -0.01 0.00 -1.74 0.00 0.00 68.15 68.89 1uhs h THR 30 CO -0.00 0.25 -0.10 0.74 0.37 0.00 0.00 175.52 176.78 1uhs h THR 31 N -0.39 1.28 -0.09 3.16 2.02 -1.78 -2.83 112.91 114.27 1uhs h THR 31 Ca 0.00 -1.19 0.00 0.00 0.77 0.00 0.00 66.41 65.99 1uhs h THR 31 Cb 0.41 1.23 -0.00 0.00 -1.74 0.00 0.00 68.15 68.04 1uhs h THR 31 CO 0.00 0.40 0.06 0.25 0.37 0.00 0.00 175.52 176.60 1uhs h LEU 32 N 0.58 0.11 -0.27 2.58 5.85 -1.30 -2.25 115.31 120.61 1uhs h LEU 32 Ca 0.10 -0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.81 1uhs h LEU 32 Cb 0.62 -0.03 -0.01 0.00 0.37 0.00 0.00 40.66 41.62 1uhs h LEU 32 CO 0.04 0.08 0.13 0.00 -0.34 0.00 0.00 178.44 178.35 1uhs h LEU 34 N 0.31 0.39 -0.43 0.00 3.38 -1.40 -2.41 115.31 115.15 1uhs h LEU 34 Ca 0.09 -0.11 -0.16 0.00 0.09 0.00 0.00 57.88 57.79 1uhs h LEU 34 Cb 0.11 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.75 1uhs h LEU 34 CO -0.01 0.59 -0.42 0.40 0.09 0.00 0.00 178.44 179.09 1uhs h ILE 35 N 0.37 1.28 -0.51 1.22 2.04 -1.10 -1.74 117.51 119.07 1uhs h ILE 35 Ca 0.07 -1.60 -0.06 0.00 1.00 0.00 0.00 64.86 64.27 1uhs h ILE 35 Cb 0.53 1.46 -0.02 0.00 -0.74 0.00 0.00 36.82 38.05 1uhs h ILE 35 CO 0.03 0.53 0.08 0.00 0.00 0.00 0.00 178.15 178.80 1uhs h ALA 36 N 0.82 0.68 -0.03 1.87 0.00 -0.84 -1.80 119.26 119.96 1uhs h ALA 36 Ca 0.05 -0.24 -0.11 0.00 0.00 0.00 0.00 54.91 54.61 1uhs h ALA 36 Cb 1.00 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.58 1uhs h ALA 36 CO 0.10 0.41 -0.51 0.00 0.00 0.00 0.00 179.25 179.25 1uhs h ALA 37 N 0.98 1.10 0.22 0.00 0.00 -1.42 0.88 119.26 121.02 1uhs h ALA 37 Ca 0.15 -0.47 -0.01 0.00 0.00 0.00 0.00 54.91 54.58 1uhs h ALA 37 Cb 0.40 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.10 1uhs h ALA 37 CO 0.01 0.65 -0.11 1.49 0.00 0.00 0.00 179.25 181.29 1uhs h GLU 38 N 0.06 -0.28 -0.99 0.00 4.81 -1.05 -3.32 114.58 113.80 1uhs h GLU 38 Ca -0.00 0.02 0.01 0.00 -0.13 0.00 0.00 59.36 59.26 1uhs h GLU 38 Cb 0.92 0.06 -0.05 0.00 0.63 0.00 0.00 28.75 30.32 1uhs h GLU 38 CO 0.07 -0.19 0.66 0.00 -0.73 0.00 0.00 179.01 178.82 1uhs h ALA 39 N -1.68 1.30 0.00 2.92 0.00 -1.43 -3.47 119.26 116.91 1uhs h ALA 39 Ca -0.03 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.82 1uhs h ALA 39 Cb 0.23 -0.39 0.00 0.00 0.00 0.00 0.00 17.79 17.62 1uhs h ALA 39 CO 0.05 0.64 0.00 0.41 0.00 0.00 0.00 179.25 180.35 1uhs n GLY 40 N -1.38 1.83 0.63 0.00 0.00 -0.18 -4.73 105.19 101.35 1uhs n GLY 40 Ca 0.12 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.09 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 -4.84 0.99 4.77 0.29 -4.99 117.00 113.22 1uhs n LEU 41 Ca 0.00 -0.57 -0.21 0.00 -0.03 0.00 0.00 56.01 55.20 1uhs n LEU 41 Cb 0.00 0.13 -0.04 0.00 -2.33 0.00 0.00 43.42 41.18 1uhs n LEU 41 CO 0.00 -0.08 -0.11 0.42 -1.33 0.00 0.00 177.39 176.28 1uhs s THR 42 N -1.60 3.74 0.51 -5.08 -4.23 -1.26 -3.91 115.64 103.81 1uhs s THR 42 Ca 0.02 -1.40 0.16 0.00 -1.18 0.00 0.00 61.69 59.29 1uhs s THR 42 Cb 0.00 -3.22 0.28 0.00 1.34 0.00 0.00 72.50 70.90 1uhs s THR 42 CO 0.01 -0.22 2.12 -0.08 -0.54 0.00 0.00 174.62 175.92 1uhs h GLU 43 N 1.33 0.07 -0.07 3.99 4.81 -1.92 -1.62 114.58 121.17 1uhs h GLU 43 Ca -0.46 -0.00 -0.23 0.00 -0.13 0.00 0.00 59.36 58.54 1uhs h GLU 43 Cb 1.25 -0.01 0.01 0.00 0.63 0.00 0.00 28.75 30.63 1uhs h GLU 43 CO 0.59 0.04 -0.84 1.49 -0.73 0.00 0.00 179.01 179.56 1uhs h GLU 44 N 0.07 0.69 -0.42 1.92 4.81 -1.96 -2.13 114.58 117.56 1uhs h GLU 44 Ca 0.04 -0.65 -0.03 0.00 -0.13 0.00 0.00 59.36 58.60 1uhs h GLU 44 Cb 0.09 0.16 -0.02 0.00 0.63 0.00 0.00 28.75 29.62 1uhs h GLU 44 CO -0.01 1.25 0.17 1.96 -0.73 0.00 0.00 179.01 181.65 1uhs h GLN 45 N 0.37 0.64 -0.03 1.92 4.20 -1.77 -2.65 115.11 117.79 1uhs h GLN 45 Ca -0.09 -0.12 -0.10 0.00 0.06 0.00 0.00 58.65 58.40 1uhs h GLN 45 Cb 1.49 -0.10 -0.01 0.00 0.30 0.00 0.00 27.48 29.16 1uhs h GLN 45 CO 0.17 0.59 -0.47 1.15 -0.67 0.00 0.00 178.83 179.60 1uhs h THR 46 N 0.54 1.34 -0.79 -0.54 2.02 -1.39 -2.98 112.91 111.11 1uhs h THR 46 Ca 0.14 -1.63 0.01 0.00 0.77 0.00 0.00 66.41 65.70 1uhs h THR 46 Cb 0.20 1.85 -0.04 0.00 -1.74 0.00 0.00 68.15 68.41 1uhs h THR 46 CO -0.01 0.47 0.52 -0.61 0.37 0.00 0.00 175.52 176.26 1uhs h GLN 47 N 0.05 1.03 -0.36 6.66 4.15 -1.03 -1.79 115.11 123.82 1uhs h GLN 47 Ca 0.00 -0.06 -0.14 0.00 0.77 0.00 0.00 58.65 59.22 1uhs h GLN 47 Cb 0.86 -0.23 -0.01 0.00 0.21 0.00 0.00 27.48 28.30 1uhs h GLN 47 CO 0.06 0.68 -0.35 0.87 -1.93 0.00 0.00 178.83 178.17 1uhs h LYS 48 N 1.06 0.82 -0.18 1.69 1.79 -1.38 -2.42 116.57 117.95 1uhs h LYS 48 Ca 0.30 -0.40 0.01 0.00 -2.18 0.00 0.00 60.65 58.37 1uhs h LYS 48 Cb -0.10 -0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 30.54 1uhs h LYS 48 CO -0.07 1.04 0.10 2.35 -1.08 0.00 0.00 179.45 181.79 1uhs h TRP 49 N 0.68 0.19 -0.03 -1.35 7.01 -1.30 0.11 115.95 121.27 1uhs h TRP 49 Ca 0.07 0.01 -0.06 0.00 2.11 0.00 0.00 58.89 61.01 1uhs h TRP 49 Cb 0.90 -0.06 -0.01 0.00 -2.10 0.00 0.00 29.16 27.89 1uhs h TRP 49 CO 0.05 0.12 -0.27 0.74 -2.79 0.00 0.00 178.44 176.29 1uhs h PHE 50 N 0.22 0.06 0.01 2.65 -1.00 -1.32 0.49 116.94 118.04 1uhs h PHE 50 Ca 0.07 -0.01 -0.00 0.00 2.81 0.00 0.00 57.97 60.84 1uhs h PHE 50 Cb -0.01 -0.02 0.00 0.00 3.61 0.00 0.00 35.95 39.54 1uhs h PHE 50 CO -0.08 0.32 -0.00 -0.22 -1.61 0.00 0.00 178.31 176.72 1uhs h LYS 51 N 0.05 -0.01 -0.29 1.51 3.64 -0.88 -2.59 116.57 118.00 1uhs h LYS 51 Ca 0.01 0.00 -0.05 0.00 -1.27 0.00 0.00 60.65 59.34 1uhs h LYS 51 Cb 0.50 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.31 1uhs h LYS 51 CO 0.04 0.62 -0.02 1.96 -2.27 0.00 0.00 179.45 179.78 1uhs h GLN 52 N -0.65 0.52 -0.14 1.90 4.20 -0.71 -2.84 115.11 117.38 1uhs h GLN 52 Ca -0.00 -0.17 0.02 0.00 0.06 0.00 0.00 58.65 58.56 1uhs h GLN 52 Cb 0.64 -0.04 -0.01 0.00 0.30 0.00 0.00 27.48 28.37 1uhs h GLN 52 CO 0.00 0.68 0.10 -0.09 -0.67 0.00 0.00 178.83 178.85 1uhs h ARG 53 N 0.30 0.10 -0.72 1.46 9.65 -1.00 -1.89 114.38 122.28 1uhs h ARG 53 Ca 0.08 -0.01 -0.02 0.00 -1.10 0.00 0.00 59.98 58.94 1uhs h ARG 53 Cb 0.46 -0.02 -0.03 0.00 -1.39 0.00 0.00 29.97 28.98 1uhs h ARG 53 CO 0.02 0.06 0.38 -0.07 2.80 0.00 0.00 179.97 183.16 1uhs h LEU 54 N 0.10 0.91 -1.71 3.80 3.38 -1.21 0.25 115.31 120.83 1uhs h LEU 54 Ca 0.06 -0.11 0.01 0.00 0.09 0.00 0.00 57.88 57.93 1uhs h LEU 54 Cb 0.13 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.63 1uhs h LEU 54 CO -0.01 0.75 0.20 0.00 0.09 0.00 0.00 178.44 179.48 1uhs h ALA 55 N 1.19 1.80 0.09 1.53 0.00 -1.33 -1.96 119.26 120.58 1uhs h ALA 55 Ca 0.25 -0.02 -0.30 0.00 0.00 0.00 0.00 54.91 54.84 1uhs h ALA 55 Cb 0.06 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 1uhs h ALA 55 CO -0.04 0.18 -1.57 0.93 0.00 0.00 0.00 179.25 178.75 1uhs h GLU 56 N 0.40 0.20 -0.29 0.00 5.08 -1.38 -3.32 114.58 115.26 1uhs h GLU 56 Ca 0.12 -0.33 -0.00 0.00 -1.00 0.00 0.00 59.36 58.14 1uhs h GLU 56 Cb -0.02 0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.34 1uhs h GLU 56 CO -0.03 1.02 0.16 2.35 -1.00 0.00 0.00 179.01 181.51 1uhs h TRP 57 N 0.05 0.38 -0.48 4.33 7.01 -0.02 -1.62 115.95 125.61 1uhs h TRP 57 Ca -0.25 0.00 -0.14 0.00 2.11 0.00 0.00 58.89 60.61 1uhs h TRP 57 Cb 2.00 -0.12 -0.01 0.00 -2.10 0.00 0.00 29.16 28.92 1uhs h TRP 57 CO 0.05 0.27 -0.23 0.00 -2.79 0.00 0.00 178.44 175.73 1uhs h ARG 58 N 0.40 1.00 -0.24 2.65 3.08 -1.48 -0.70 114.38 119.09 1uhs h ARG 58 Ca 0.10 -0.44 -0.13 0.00 0.07 0.00 0.00 59.98 59.59 1uhs h ARG 58 Cb 0.01 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.02 1uhs h ARG 58 CO -0.02 1.11 -0.38 0.00 -1.07 0.00 0.00 179.97 179.62 1uhs h ARG 59 N 0.85 0.55 0.16 0.04 3.08 -1.49 0.31 114.38 117.88 1uhs h ARG 59 Ca 0.11 -0.26 -0.01 0.00 0.07 0.00 0.00 59.98 59.88 1uhs h ARG 59 Cb 0.82 -0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.87 1uhs h ARG 59 CO 0.07 0.84 -0.08 1.03 -1.07 0.00 0.00 179.97 180.76 1uhs h SER 60 N 0.46 -0.18 0.06 7.04 0.87 -1.20 -3.34 113.55 117.25 1uhs h SER 60 Ca 0.04 -0.36 -0.00 0.00 -1.23 0.00 0.00 61.79 60.24 1uhs h SER 60 Cb 0.86 0.05 0.00 0.00 -0.44 0.00 0.00 62.40 62.87 1uhs h SER 60 CO 0.07 0.35 -0.03 -0.33 -0.53 0.00 0.00 176.83 176.36 1uhs h GLU 61 N -0.80 -0.08 0.00 2.24 4.39 -1.17 -3.49 114.58 115.66 1uhs h GLU 61 Ca -0.02 0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.68 1uhs h GLU 61 Cb 0.53 0.02 0.00 0.00 -0.10 0.00 0.00 28.75 29.20 1uhs h GLU 61 CO 0.04 0.24 0.00 0.41 -1.16 0.00 0.00 179.01 178.53 1uhs n GLY 62 N -0.26 1.35 3.10 -3.84 0.00 0.11 -5.08 105.19 100.56 1uhs n GLY 62 Ca -0.08 -0.85 -0.28 0.00 0.00 0.00 0.00 46.02 44.81 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 1.82 1.08 0.99 1.02 -1.17 -5.03 118.68 117.38 1uhs s LEU 63 Ca 0.00 -0.41 -0.17 0.00 0.02 0.00 0.00 54.13 53.57 1uhs s LEU 63 Cb 0.00 -1.07 0.23 0.00 0.02 0.00 0.00 46.19 45.37 1uhs s LEU 63 CO 0.00 0.08 1.18 -2.16 0.02 0.00 0.00 176.35 175.46 1uhs s PRO 64 N 0.60 -0.23 -0.30 1.29 0.04 -1.26 -5.03 135.00 130.11 1uhs s PRO 64 Ca -0.15 -0.09 -0.14 0.00 0.04 0.00 0.00 61.00 60.66 1uhs s PRO 64 Cb -0.16 -1.71 0.18 0.00 0.04 0.00 0.00 34.50 32.84 1uhs s PRO 64 CO 0.05 -3.05 1.12 -1.54 0.04 0.00 0.00 177.00 173.62 1uhs s SER 65 N -4.19 -0.25 0.00 6.66 1.04 -1.26 -5.06 113.70 110.63 1uhs s SER 65 Ca 0.70 0.06 0.00 0.00 0.48 0.00 0.00 55.95 57.19 1uhs s SER 65 Cb -0.09 1.17 0.00 0.00 0.10 0.00 0.00 66.02 67.20 1uhs s SER 65 CO 0.55 -0.05 0.00 -0.62 0.98 0.00 0.00 173.24 174.10 1uhs n GLU 66 N 5.18 0.00 -4.19 4.02 1.02 -1.26 -5.10 120.64 120.31 1uhs n GLU 66 Ca 0.05 0.00 -0.28 0.00 -0.02 0.00 0.00 57.16 56.91 1uhs n GLU 66 Cb 0.57 -0.76 -0.04 0.00 -0.02 0.00 0.00 31.44 31.20 1uhs n GLU 66 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1uhs n ARG 68 N -1.54 2.07 -3.35 0.00 1.74 -1.26 -5.02 116.66 109.31 1uhs n ARG 68 Ca -0.07 -3.32 -0.37 0.00 -0.77 0.00 0.00 57.85 53.32 1uhs n ARG 68 Cb 0.65 -1.90 -0.06 0.00 -1.02 0.00 0.00 32.46 30.14 1uhs n ARG 68 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 1uhs s SER 69 N -2.64 6.90 -0.06 0.55 0.15 -1.26 -4.99 113.70 112.35 1uhs s SER 69 Ca 0.47 1.12 0.10 0.00 0.70 0.00 0.00 55.95 58.33 1uhs s SER 69 Cb 0.41 -2.30 -0.24 0.00 -1.71 0.00 0.00 66.02 62.18 1uhs s SER 69 CO -0.00 0.19 0.59 1.33 1.20 0.00 0.00 173.24 176.55 1uhs n VAL 70 N 1.22 1.63 -1.76 4.45 0.24 -1.26 -4.77 118.33 118.07 1uhs n VAL 70 Ca -0.08 -0.77 -0.29 0.00 -2.04 0.00 0.00 64.34 61.15 1uhs n VAL 70 Cb 0.52 -1.14 -0.04 0.00 -1.47 0.00 0.00 33.84 31.71 1uhs n VAL 70 CO 0.00 0.00 0.00 0.42 -2.14 0.00 0.00 176.83 175.11 1uhs s THR 71 N -2.59 3.17 0.00 3.34 -4.23 -1.26 -5.29 115.64 108.78 1uhs s THR 71 Ca -0.08 -0.02 0.00 0.00 -1.18 0.00 0.00 61.69 60.41 1uhs s THR 71 Cb 0.08 -3.42 0.00 0.00 1.34 0.00 0.00 72.50 70.50 1uhs s THR 71 CO 0.82 -0.40 0.00 -0.67 -0.54 0.00 0.00 174.62 173.83