#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 6.74 -0.32 1.61 0.01 -1.26 -4.65 113.70 115.84 1uhs s SER 2 Ca 0.00 1.24 -0.02 0.00 1.31 0.00 0.00 55.95 58.48 1uhs s SER 2 Cb 0.00 -2.36 0.00 0.00 0.21 0.00 0.00 66.02 63.88 1uhs s SER 2 CO 0.00 -0.21 0.08 1.21 0.41 0.00 0.00 173.24 174.73 1uhs n GLU 3 N -0.42 -3.29 0.00 12.44 0.00 -1.26 -5.05 120.64 123.06 1uhs n GLU 3 Ca 0.03 2.66 0.00 0.00 0.00 0.00 0.00 57.16 59.86 1uhs n GLU 3 Cb 0.53 -5.34 0.00 0.00 0.00 0.00 0.00 31.44 26.63 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 0.55 -0.12 3.88 8.31 0.00 -1.26 -5.05 105.19 111.49 1uhs n GLY 4 Ca 0.02 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.68 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 -3.77 3.86 0.34 4.61 0.00 -1.26 -5.11 121.76 120.42 1uhs s ALA 5 Ca 0.00 -0.58 0.02 0.00 0.00 0.00 0.00 51.96 51.40 1uhs s ALA 5 Cb 0.00 -2.05 0.02 0.00 0.00 0.00 0.00 23.12 21.10 1uhs s ALA 5 CO 0.00 0.64 0.20 0.00 0.00 0.00 0.00 175.76 176.60 1uhs n ALA 6 N 1.40 0.48 0.10 0.00 0.00 -1.26 -5.05 120.51 116.18 1uhs n ALA 6 Ca -0.14 -1.40 -0.15 0.00 0.00 0.00 0.00 53.44 51.75 1uhs n ALA 6 Cb 0.53 0.62 -0.14 0.00 0.00 0.00 0.00 19.45 20.46 1uhs n ALA 6 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1uhs h THR 7 N 0.72 1.51 -4.27 0.00 1.03 -2.07 -3.47 112.91 106.35 1uhs h THR 7 Ca -0.23 -3.08 -0.49 0.00 -0.01 0.00 0.00 66.41 62.60 1uhs h THR 7 Cb 0.80 2.94 -0.13 0.00 -1.07 0.00 0.00 68.15 70.69 1uhs h THR 7 CO 0.36 0.90 -0.50 -0.04 -0.01 0.00 0.00 175.52 176.23 1uhs s MET 8 N -2.66 1.78 0.38 0.00 -1.94 -1.26 -5.18 119.30 110.42 1uhs s MET 8 Ca -0.04 -2.05 0.04 0.00 -1.71 0.00 0.00 55.69 51.93 1uhs s MET 8 Cb 0.07 0.07 -0.04 0.00 2.01 0.00 0.00 34.83 36.95 1uhs s MET 8 CO 0.88 -0.60 0.10 0.95 -0.01 0.00 0.00 175.02 176.34 1uhs s THR 9 N -3.41 0.81 0.42 2.05 -4.23 -1.26 -5.04 115.64 104.97 1uhs s THR 9 Ca 0.36 -2.00 0.12 0.00 -1.18 0.00 0.00 61.69 58.99 1uhs s THR 9 Cb 0.03 -2.49 0.17 0.00 1.34 0.00 0.00 72.50 71.55 1uhs s THR 9 CO 0.23 0.00 1.96 -0.33 -0.54 0.00 0.00 174.62 175.94 1uhs h GLU 10 N 1.89 0.13 -0.15 3.99 3.07 -2.03 -1.92 114.58 119.58 1uhs h GLU 10 Ca -0.38 -0.03 -0.04 0.00 -0.50 0.00 0.00 59.36 58.41 1uhs h GLU 10 Cb 1.27 -0.02 -0.01 0.00 -0.84 0.00 0.00 28.75 29.14 1uhs h GLU 10 CO 0.62 0.28 -0.10 -0.44 -1.40 0.00 0.00 179.01 177.97 1uhs h ASP 11 N 0.13 0.21 0.31 1.42 3.32 -1.97 0.62 116.42 120.46 1uhs h ASP 11 Ca 0.03 -0.04 -0.33 0.00 0.02 0.00 0.00 57.03 56.71 1uhs h ASP 11 Cb 0.34 -0.05 0.02 0.00 0.22 0.00 0.00 39.33 39.85 1uhs h ASP 11 CO 0.02 0.34 -1.57 1.56 -1.72 0.00 0.00 179.24 177.88 1uhs h GLN 12 N 0.22 0.41 0.00 3.56 4.20 -1.69 -3.08 115.11 118.72 1uhs h GLN 12 Ca 0.05 -0.70 -0.17 0.00 0.06 0.00 0.00 58.65 57.89 1uhs h GLN 12 Cb 0.32 0.26 -0.02 0.00 0.30 0.00 0.00 27.48 28.34 1uhs h GLN 12 CO 0.02 1.31 -0.81 0.28 -0.67 0.00 0.00 178.83 178.97 1uhs h VAL 13 N 0.11 1.57 -0.15 -0.54 2.07 -1.13 -1.29 116.25 116.89 1uhs h VAL 13 Ca -0.27 -2.72 -0.06 0.00 0.82 0.00 0.00 66.70 64.47 1uhs h VAL 13 Cb 2.10 2.47 -0.00 0.00 -1.52 0.00 0.00 31.29 34.34 1uhs h VAL 13 CO 0.21 0.78 -0.13 -0.33 0.02 0.00 0.00 177.57 178.12 1uhs h GLU 14 N 0.01 0.35 -0.00 1.57 4.39 0.13 -1.60 114.58 119.44 1uhs h GLU 14 Ca -0.01 -0.18 -0.18 0.00 0.34 0.00 0.00 59.36 59.33 1uhs h GLU 14 Cb 1.42 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 30.06 1uhs h GLU 14 CO 0.11 0.73 -0.81 0.82 -1.16 0.00 0.00 179.01 178.70 1uhs h ILE 15 N -0.01 1.53 -0.37 3.13 2.04 -1.60 -1.32 117.51 120.91 1uhs h ILE 15 Ca 0.03 -2.61 -0.12 0.00 1.00 0.00 0.00 64.86 63.16 1uhs h ILE 15 Cb 0.65 2.43 -0.01 0.00 -0.74 0.00 0.00 36.82 39.15 1uhs h ILE 15 CO 0.03 0.75 -0.22 -0.07 0.00 0.00 0.00 178.15 178.65 1uhs h LEU 16 N 0.05 0.84 -0.07 1.44 3.38 -1.23 -1.97 115.31 117.74 1uhs h LEU 16 Ca -0.02 -0.42 -0.21 0.00 0.09 0.00 0.00 57.88 57.32 1uhs h LEU 16 Cb 1.41 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 41.90 1uhs h LEU 16 CO 0.11 1.08 -0.98 -0.33 0.09 0.00 0.00 178.44 178.41 1uhs h GLU 17 N 0.60 0.04 -0.26 1.13 5.08 -1.32 -3.18 114.58 116.67 1uhs h GLU 17 Ca 0.08 -0.06 -0.11 0.00 -1.00 0.00 0.00 59.36 58.26 1uhs h GLU 17 Cb 0.78 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 30.04 1uhs h GLU 17 CO 0.06 0.98 -0.32 -0.92 -1.00 0.00 0.00 179.01 177.82 1uhs h TYR 18 N 0.01 0.62 -0.52 4.33 5.03 -1.19 -2.69 116.97 122.56 1uhs h TYR 18 Ca -0.02 -0.16 -0.10 0.00 2.58 0.00 0.00 58.73 61.03 1uhs h TYR 18 Cb 1.71 -0.14 -0.06 0.00 1.55 0.00 0.00 36.73 39.79 1uhs h TYR 18 CO 0.01 0.80 0.13 0.09 -1.32 0.00 0.00 178.16 177.87 1uhs n ASN 19 N -4.07 4.37 -0.00 -2.11 3.02 -0.75 -2.88 115.26 112.83 1uhs n ASN 19 Ca -0.01 -2.85 -0.00 0.00 -0.03 0.00 0.00 54.58 51.69 1uhs n ASN 19 Cb 0.46 -0.67 -0.01 0.00 -0.61 0.00 0.00 39.78 38.95 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 0.16 0.00 -0.03 3.10 7.35 -1.02 -3.77 117.46 123.24 1uhs n PHE 20 Ca 0.28 0.00 -0.03 0.00 -0.76 0.00 0.00 57.45 56.93 1uhs n PHE 20 Cb 1.09 -0.03 -0.05 0.00 0.35 0.00 0.00 39.48 40.83 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 -1.86 3.36 0.01 -2.13 3.02 -1.16 -3.80 115.26 112.70 1uhs n ASN 21 Ca -0.01 -0.00 -0.17 0.00 -0.03 0.00 0.00 54.58 54.37 1uhs n ASN 21 Cb 0.36 0.61 -0.14 0.00 -0.61 0.00 0.00 39.78 39.99 1uhs n ASN 21 CO 0.00 0.00 0.00 0.11 -2.62 0.00 0.00 177.26 174.75 1uhs h LYS 22 N 0.00 0.20 0.00 3.52 6.56 -1.77 -3.43 116.57 121.65 1uhs h LYS 22 Ca -0.18 -0.34 0.00 0.00 -1.06 0.00 0.00 60.65 59.07 1uhs h LYS 22 Cb 1.40 0.13 0.00 0.00 -0.57 0.00 0.00 32.23 33.19 1uhs h LYS 22 CO 0.01 1.00 0.00 0.28 -2.06 0.00 0.00 179.45 178.68 1uhs n VAL 23 N -3.36 0.00 -3.70 0.50 0.31 -1.25 -5.06 118.33 105.77 1uhs n VAL 23 Ca -0.24 0.47 0.01 0.00 -0.01 0.00 0.00 64.34 64.57 1uhs n VAL 23 Cb 1.05 -1.45 -0.00 0.00 -0.91 0.00 0.00 33.84 32.52 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 -3.46 -0.06 -0.13 4.52 2.20 -1.25 -5.00 114.94 111.76 1uhs s ASN 24 Ca 0.00 -0.20 0.12 0.00 -0.94 0.00 0.00 52.86 51.83 1uhs s ASN 24 Cb 0.00 0.21 -0.16 0.00 -2.00 0.00 0.00 41.25 39.30 1uhs s ASN 24 CO 0.00 -0.40 0.04 0.29 -2.94 0.00 0.00 177.10 174.10 1uhs n LYS 25 N -0.56 1.80 -3.01 3.55 4.01 -1.25 -3.82 118.16 118.88 1uhs n LYS 25 Ca -0.06 -0.01 -0.27 0.00 -0.51 0.00 0.00 58.31 57.46 1uhs n LYS 25 Cb 0.62 -1.34 -0.04 0.00 -0.51 0.00 0.00 35.03 33.75 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 -2.50 3.98 -1.37 2.13 8.25 -1.26 -4.92 115.22 119.53 1uhs n HIS 26 Ca -0.22 -4.00 -0.31 0.00 -0.26 0.00 0.00 57.72 52.93 1uhs n HIS 26 Cb 0.93 -0.51 0.08 0.00 1.12 0.00 0.00 29.99 31.61 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 -3.34 2.51 0.70 -0.41 0.04 -1.26 -5.06 135.00 128.17 1uhs s PRO 27 Ca 0.47 1.09 -0.07 0.00 0.04 0.00 0.00 61.00 62.54 1uhs s PRO 27 Cb 0.26 -1.93 0.06 0.00 0.04 0.00 0.00 34.50 32.92 1uhs s PRO 27 CO -0.12 -1.44 1.01 -0.51 0.04 0.00 0.00 177.00 175.98 1uhs s ASP 28 N -3.54 4.87 0.57 6.66 1.01 -1.26 -4.84 116.67 120.15 1uhs s ASP 28 Ca 0.60 0.50 0.27 0.00 0.71 0.00 0.00 52.55 54.63 1uhs s ASP 28 Cb -0.16 -1.17 1.58 0.00 1.01 0.00 0.00 42.92 44.18 1uhs s ASP 28 CO 0.56 -1.56 2.08 -0.65 0.21 0.00 0.00 175.17 175.80 1uhs h PRO 29 N -0.58 0.00 0.02 8.23 0.11 -1.98 -0.89 132.00 136.91 1uhs h PRO 29 Ca -0.45 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.66 1uhs h PRO 29 Cb 1.31 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.42 1uhs h PRO 29 CO 0.61 0.00 -0.01 1.15 -0.21 0.00 0.00 178.00 179.54 1uhs h THR 30 N 0.00 1.28 -0.35 -1.15 2.02 -2.00 -2.22 112.91 110.49 1uhs h THR 30 Ca 0.11 -0.92 -0.14 0.00 0.77 0.00 0.00 66.41 66.23 1uhs h THR 30 Cb 0.57 1.90 -0.01 0.00 -1.74 0.00 0.00 68.15 68.87 1uhs h THR 30 CO -0.00 0.24 -0.35 0.74 0.37 0.00 0.00 175.52 176.52 1uhs h THR 31 N -0.42 1.28 -0.12 3.16 2.02 -1.76 -2.89 112.91 114.17 1uhs h THR 31 Ca -0.00 -1.51 -0.02 0.00 0.77 0.00 0.00 66.41 65.65 1uhs h THR 31 Cb 0.40 1.38 -0.01 0.00 -1.74 0.00 0.00 68.15 68.19 1uhs h THR 31 CO 0.00 0.50 0.00 0.25 0.37 0.00 0.00 175.52 176.64 1uhs h LEU 32 N 0.66 0.15 -1.05 2.58 5.85 -1.20 -1.68 115.31 120.63 1uhs h LEU 32 Ca 0.07 -0.01 -0.09 0.00 0.84 0.00 0.00 57.88 58.69 1uhs h LEU 32 Cb 0.89 -0.04 -0.01 0.00 0.37 0.00 0.00 40.66 41.87 1uhs h LEU 32 CO 0.08 0.19 -0.26 0.00 -0.34 0.00 0.00 178.44 178.11 1uhs h LEU 34 N 0.33 0.30 -0.55 0.00 3.38 -1.31 -2.59 115.31 114.88 1uhs h LEU 34 Ca 0.05 -0.18 -0.16 0.00 0.09 0.00 0.00 57.88 57.69 1uhs h LEU 34 Cb 0.63 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 41.28 1uhs h LEU 34 CO 0.05 0.84 -0.72 0.40 0.09 0.00 0.00 178.44 179.10 1uhs h ILE 35 N 0.19 1.48 -0.00 1.22 2.04 -1.20 -2.53 117.51 118.71 1uhs h ILE 35 Ca -0.01 -2.38 -0.16 0.00 1.00 0.00 0.00 64.86 63.31 1uhs h ILE 35 Cb 1.13 2.28 -0.02 0.00 -0.74 0.00 0.00 36.82 39.47 1uhs h ILE 35 CO 0.10 0.69 -0.76 0.00 0.00 0.00 0.00 178.15 178.17 1uhs h ALA 36 N 1.22 0.73 -0.02 1.87 0.00 -1.30 -2.76 119.26 119.00 1uhs h ALA 36 Ca -0.01 -0.69 -0.11 0.00 0.00 0.00 0.00 54.91 54.10 1uhs h ALA 36 Cb 1.27 -0.11 0.01 0.00 0.00 0.00 0.00 17.79 18.95 1uhs h ALA 36 CO 0.10 0.93 -0.42 0.00 0.00 0.00 0.00 179.25 179.86 1uhs h ALA 37 N 1.21 0.07 0.57 0.00 0.00 -1.41 0.87 119.26 120.57 1uhs h ALA 37 Ca -0.01 -0.51 -0.03 0.00 0.00 0.00 0.00 54.91 54.36 1uhs h ALA 37 Cb 1.35 0.02 0.01 0.00 0.00 0.00 0.00 17.79 19.16 1uhs h ALA 37 CO 0.10 0.22 -0.27 1.49 0.00 0.00 0.00 179.25 180.79 1uhs h GLU 38 N -0.26 -0.74 -0.24 0.00 4.81 -1.52 -3.04 114.58 113.60 1uhs h GLU 38 Ca -0.05 0.05 0.02 0.00 -0.13 0.00 0.00 59.36 59.25 1uhs h GLU 38 Cb 1.13 0.17 -0.01 0.00 0.63 0.00 0.00 28.75 30.67 1uhs h GLU 38 CO 0.08 -0.49 0.16 0.00 -0.73 0.00 0.00 179.01 178.03 1uhs h ALA 39 N -1.61 1.91 0.00 2.92 0.00 -1.65 -3.46 119.26 117.38 1uhs h ALA 39 Ca -0.08 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.82 1uhs h ALA 39 Cb 0.59 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.31 1uhs h ALA 39 CO 0.13 0.06 0.00 0.41 0.00 0.00 0.00 179.25 179.85 1uhs n GLY 40 N -1.52 1.61 2.59 0.00 0.00 -0.53 -4.77 105.19 102.57 1uhs n GLY 40 Ca 0.01 -0.10 -0.21 0.00 0.00 0.00 0.00 46.02 45.73 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 -4.93 0.99 4.77 0.29 -4.98 117.00 113.15 1uhs n LEU 41 Ca 0.00 -2.12 -0.26 0.00 -0.03 0.00 0.00 56.01 53.60 1uhs n LEU 41 Cb 0.04 0.12 -0.03 0.00 -2.33 0.00 0.00 43.42 41.21 1uhs n LEU 41 CO 0.00 -0.40 -0.11 0.42 -1.33 0.00 0.00 177.39 175.97 1uhs s THR 42 N -2.10 5.23 0.51 -5.08 -4.23 -1.26 -4.15 115.64 104.55 1uhs s THR 42 Ca 0.10 -0.71 0.16 0.00 -1.18 0.00 0.00 61.69 60.07 1uhs s THR 42 Cb -0.01 -3.68 0.29 0.00 1.34 0.00 0.00 72.50 70.44 1uhs s THR 42 CO 0.06 -0.07 2.11 -0.08 -0.54 0.00 0.00 174.62 176.10 1uhs h GLU 43 N 2.25 0.08 0.05 3.99 4.22 -1.92 -1.40 114.58 121.85 1uhs h GLU 43 Ca -0.48 -0.00 -0.00 0.00 0.08 0.00 0.00 59.36 58.95 1uhs h GLU 43 Cb 1.19 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.43 1uhs h GLU 43 CO 0.69 0.05 -0.02 1.49 -2.18 0.00 0.00 179.01 179.03 1uhs h GLU 44 N 0.08 -0.06 -0.99 1.92 4.57 -1.96 -1.87 114.58 116.27 1uhs h GLU 44 Ca 0.07 0.00 0.01 0.00 -1.18 0.00 0.00 59.36 58.26 1uhs h GLU 44 Cb 0.17 0.01 -0.05 0.00 -0.16 0.00 0.00 28.75 28.73 1uhs h GLU 44 CO -0.01 0.38 0.65 1.96 -1.18 0.00 0.00 179.01 180.81 1uhs h GLN 45 N -0.53 1.31 -0.07 1.92 4.20 -1.86 -1.78 115.11 118.30 1uhs h GLN 45 Ca -0.01 -0.09 -0.08 0.00 0.06 0.00 0.00 58.65 58.54 1uhs h GLN 45 Cb 0.47 -0.29 -0.01 0.00 0.30 0.00 0.00 27.48 27.95 1uhs h GLN 45 CO 0.01 0.88 -0.33 1.15 -0.67 0.00 0.00 178.83 179.87 1uhs h THR 46 N 1.35 1.26 -0.70 -0.54 2.02 -1.27 -2.85 112.91 112.16 1uhs h THR 46 Ca 0.36 -1.23 -0.05 0.00 0.77 0.00 0.00 66.41 66.26 1uhs h THR 46 Cb -0.14 1.57 -0.03 0.00 -1.74 0.00 0.00 68.15 67.81 1uhs h THR 46 CO -0.08 0.36 0.23 -0.61 0.37 0.00 0.00 175.52 175.80 1uhs h GLN 47 N 0.11 1.08 -0.14 6.66 4.15 -0.46 -2.50 115.11 124.02 1uhs h GLN 47 Ca 0.01 -0.23 -0.08 0.00 0.77 0.00 0.00 58.65 59.13 1uhs h GLN 47 Cb 0.63 -0.16 -0.01 0.00 0.21 0.00 0.00 27.48 28.15 1uhs h GLN 47 CO 0.05 0.92 -0.27 0.87 -1.93 0.00 0.00 178.83 178.47 1uhs h LYS 48 N 1.03 0.25 0.47 1.69 1.79 -1.27 -1.12 116.57 119.40 1uhs h LYS 48 Ca 0.23 -0.08 -0.02 0.00 -2.18 0.00 0.00 60.65 58.59 1uhs h LYS 48 Cb 0.28 -0.02 0.00 0.00 -1.58 0.00 0.00 32.23 30.92 1uhs h LYS 48 CO -0.01 0.50 -0.23 2.35 -1.08 0.00 0.00 179.45 180.99 1uhs h TRP 49 N 0.22 -0.59 -0.57 -1.35 7.01 -1.31 0.17 115.95 119.54 1uhs h TRP 49 Ca 0.03 -0.01 -0.06 0.00 2.11 0.00 0.00 58.89 60.97 1uhs h TRP 49 Cb 0.59 0.19 -0.03 0.00 -2.10 0.00 0.00 29.16 27.82 1uhs h TRP 49 CO 0.01 -0.28 0.13 0.74 -2.79 0.00 0.00 178.44 176.25 1uhs h PHE 50 N -0.84 0.91 -0.11 2.65 -1.00 -1.45 0.58 116.94 117.67 1uhs h PHE 50 Ca -0.06 -0.09 -0.11 0.00 2.81 0.00 0.00 57.97 60.52 1uhs h PHE 50 Cb 0.57 -0.26 -0.01 0.00 3.61 0.00 0.00 35.95 39.86 1uhs h PHE 50 CO -0.00 0.76 -0.42 -0.22 -1.61 0.00 0.00 178.31 176.82 1uhs h LYS 51 N 0.84 0.25 0.03 1.51 3.11 -1.15 -1.49 116.57 119.66 1uhs h LYS 51 Ca 0.18 -0.12 -0.13 0.00 -2.81 0.00 0.00 60.65 57.78 1uhs h LYS 51 Cb 0.32 -0.00 -0.01 0.00 -1.00 0.00 0.00 32.23 31.54 1uhs h LYS 51 CO 0.00 0.63 -0.66 1.96 -2.81 0.00 0.00 179.45 178.56 1uhs h GLN 52 N 0.21 0.05 -0.10 1.90 4.20 -0.19 -3.34 115.11 117.84 1uhs h GLN 52 Ca 0.02 -0.09 0.01 0.00 0.06 0.00 0.00 58.65 58.65 1uhs h GLN 52 Cb 0.83 0.03 -0.00 0.00 0.30 0.00 0.00 27.48 28.64 1uhs h GLN 52 CO 0.06 1.04 0.07 -0.09 -0.67 0.00 0.00 178.83 179.25 1uhs h ARG 53 N -0.86 0.08 0.00 1.46 9.65 0.10 -1.02 114.38 123.79 1uhs h ARG 53 Ca -0.17 -0.00 -0.00 0.00 -1.10 0.00 0.00 59.98 58.71 1uhs h ARG 53 Cb 1.25 -0.02 -0.00 0.00 -1.39 0.00 0.00 29.97 29.81 1uhs h ARG 53 CO -0.05 0.05 -0.02 -0.07 2.80 0.00 0.00 179.97 182.69 1uhs h LEU 54 N 0.08 0.00 -2.02 3.80 3.38 -1.39 -1.51 115.31 117.66 1uhs h LEU 54 Ca 0.04 0.00 0.08 0.00 0.09 0.00 0.00 57.88 58.09 1uhs h LEU 54 Cb 0.06 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.80 1uhs h LEU 54 CO -0.01 0.02 0.20 0.00 0.09 0.00 0.00 178.44 178.74 1uhs h ALA 55 N 1.98 2.24 0.01 1.53 0.00 -1.32 -1.08 119.26 122.62 1uhs h ALA 55 Ca -0.00 -0.01 -0.31 0.00 0.00 0.00 0.00 54.91 54.59 1uhs h ALA 55 Cb 0.03 0.02 -0.05 0.00 0.00 0.00 0.00 17.79 17.79 1uhs h ALA 55 CO 0.00 -0.34 -1.81 0.39 0.00 0.00 0.00 179.25 177.49 1uhs n GLU 56 N -4.41 0.65 -0.12 0.00 -0.58 -0.59 -3.83 120.64 111.76 1uhs n GLU 56 Ca 0.04 0.27 -0.04 0.00 -0.42 0.00 0.00 57.16 57.00 1uhs n GLU 56 Cb 0.36 -1.76 0.16 0.00 -0.57 0.00 0.00 31.44 29.64 1uhs n GLU 56 CO 0.00 0.00 0.00 2.35 -0.48 0.00 0.00 177.13 179.00 1uhs h TRP 57 N 0.01 0.86 -0.41 -0.32 7.01 -1.00 0.25 115.95 122.36 1uhs h TRP 57 Ca -0.33 -0.11 -0.09 0.00 2.11 0.00 0.00 58.89 60.47 1uhs h TRP 57 Cb 2.04 -0.24 -0.01 0.00 -2.10 0.00 0.00 29.16 28.84 1uhs h TRP 57 CO 0.01 0.77 -0.10 0.00 -2.79 0.00 0.00 178.44 176.33 1uhs h ARG 58 N 0.77 0.79 -0.00 2.65 3.08 -1.39 0.11 114.38 120.38 1uhs h ARG 58 Ca 0.16 -0.30 -0.18 0.00 0.07 0.00 0.00 59.98 59.73 1uhs h ARG 58 Cb 0.41 -0.04 -0.02 0.00 0.08 0.00 0.00 29.97 30.40 1uhs h ARG 58 CO 0.01 0.92 -0.81 0.00 -1.07 0.00 0.00 179.97 179.02 1uhs h ARG 59 N 0.60 0.09 -0.04 0.04 3.08 -1.61 0.38 114.38 116.92 1uhs h ARG 59 Ca 0.10 -0.10 -0.09 0.00 0.07 0.00 0.00 59.98 59.97 1uhs h ARG 59 Cb 0.63 0.03 0.01 0.00 0.08 0.00 0.00 29.97 30.71 1uhs h ARG 59 CO 0.04 0.85 -0.32 1.03 -1.07 0.00 0.00 179.97 180.50 1uhs h SER 60 N 0.05 0.35 -0.02 7.04 0.87 -0.40 -3.35 113.55 118.11 1uhs h SER 60 Ca -0.02 -0.69 -0.02 0.00 -1.23 0.00 0.00 61.79 59.83 1uhs h SER 60 Cb 1.42 -0.11 0.00 0.00 -0.44 0.00 0.00 62.40 63.27 1uhs h SER 60 CO 0.11 0.99 -0.08 -0.33 -0.53 0.00 0.00 176.83 176.99 1uhs h GLU 61 N -0.26 0.08 0.00 2.24 4.39 -0.84 -3.49 114.58 116.71 1uhs h GLU 61 Ca -0.03 -0.07 0.00 0.00 0.34 0.00 0.00 59.36 59.61 1uhs h GLU 61 Cb 1.00 0.01 0.00 0.00 -0.10 0.00 0.00 28.75 29.66 1uhs h GLU 61 CO 0.06 0.73 0.00 0.41 -1.16 0.00 0.00 179.01 179.05 1uhs n GLY 62 N 0.72 0.39 3.88 -3.84 0.00 -0.00 -5.08 105.19 101.24 1uhs n GLY 62 Ca -0.09 -0.69 -0.21 0.00 0.00 0.00 0.00 46.02 45.03 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 3.59 0.00 0.99 1.02 0.11 -5.02 118.68 119.37 1uhs s LEU 63 Ca 0.00 -0.52 -0.17 0.00 0.02 0.00 0.00 54.13 53.46 1uhs s LEU 63 Cb 0.00 -2.25 0.26 0.00 0.02 0.00 0.00 46.19 44.22 1uhs s LEU 63 CO 0.00 -0.44 0.80 -0.81 0.02 0.00 0.00 176.35 175.92 1uhs n PRO 64 N -1.45 -3.16 -4.38 1.29 -0.04 -1.26 -4.84 135.00 121.15 1uhs n PRO 64 Ca -0.00 -1.30 -0.20 0.00 -0.04 0.00 0.00 63.50 61.96 1uhs n PRO 64 Cb 0.60 -1.34 -0.10 0.00 -0.04 0.00 0.00 33.50 32.62 1uhs n PRO 64 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1uhs s SER 65 N -3.53 2.74 -0.77 3.54 0.15 -1.26 -5.00 113.70 109.57 1uhs s SER 65 Ca 0.55 -1.07 -0.25 0.00 0.70 0.00 0.00 55.95 55.88 1uhs s SER 65 Cb -0.07 -0.16 -0.04 0.00 -1.71 0.00 0.00 66.02 64.04 1uhs s SER 65 CO 0.43 -0.19 1.97 -0.70 1.20 0.00 0.00 173.24 175.95 1uhs s GLU 66 N -3.65 2.50 0.51 5.44 2.56 -1.26 -4.94 118.70 119.85 1uhs s GLU 66 Ca 0.25 0.15 0.08 0.00 0.00 0.00 0.00 54.97 55.46 1uhs s GLU 66 Cb -0.00 -4.79 0.04 0.00 2.00 0.00 0.00 34.13 31.39 1uhs s GLU 66 CO 0.09 -3.22 0.61 0.00 -0.56 0.00 0.00 175.26 172.19 1uhs n ARG 68 N -1.97 0.00 -3.39 0.00 1.74 -1.26 -4.88 116.66 106.90 1uhs n ARG 68 Ca 0.09 0.35 -0.14 0.00 -0.77 0.00 0.00 57.85 57.37 1uhs n ARG 68 Cb 0.61 -1.07 -0.09 0.00 -1.02 0.00 0.00 32.46 30.89 1uhs n ARG 68 CO 0.00 0.00 0.00 -1.12 -1.52 0.00 0.00 177.63 174.99 1uhs s SER 69 N -2.22 1.13 0.82 0.55 0.01 -1.26 -5.15 113.70 107.58 1uhs s SER 69 Ca 0.00 -0.38 -0.12 0.00 1.31 0.00 0.00 55.95 56.76 1uhs s SER 69 Cb 0.00 0.70 0.09 0.00 0.21 0.00 0.00 66.02 67.01 1uhs s SER 69 CO 0.00 -0.35 1.12 0.68 0.41 0.00 0.00 173.24 175.10 1uhs s VAL 70 N 2.42 2.65 -0.15 3.43 -7.23 -1.26 -5.04 120.40 115.23 1uhs s VAL 70 Ca 0.10 0.21 -0.13 0.00 -1.81 0.00 0.00 61.98 60.35 1uhs s VAL 70 Cb -0.14 -3.02 -0.06 0.00 0.56 0.00 0.00 36.38 33.72 1uhs s VAL 70 CO -0.25 -0.28 -0.28 0.35 -0.31 0.00 0.00 175.10 174.34 1uhs n THR 71 N -3.48 1.38 0.22 5.32 -2.24 -1.26 -5.24 114.28 108.98 1uhs n THR 71 Ca 0.07 0.06 0.03 0.00 -2.27 0.00 0.00 64.05 61.94 1uhs n THR 71 Cb 0.58 -2.08 0.02 0.00 -2.10 0.00 0.00 70.33 66.75 1uhs n THR 71 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97