#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 5.00 -0.19 1.61 0.01 -1.26 -4.89 113.70 113.99 1uhs s SER 2 Ca 0.00 -0.91 -0.12 0.00 1.31 0.00 0.00 55.95 56.22 1uhs s SER 2 Cb 0.00 0.10 0.05 0.00 0.21 0.00 0.00 66.02 66.38 1uhs s SER 2 CO 0.00 -1.10 0.25 -0.62 0.41 0.00 0.00 173.24 172.17 1uhs n GLU 3 N -1.95 -4.58 0.00 12.44 -0.58 -1.26 -5.00 120.64 119.71 1uhs n GLU 3 Ca 0.08 3.45 0.00 0.00 -0.42 0.00 0.00 57.16 60.27 1uhs n GLU 3 Cb 0.62 -5.07 0.00 0.00 -0.57 0.00 0.00 31.44 26.42 1uhs n GLU 3 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1uhs n GLY 4 N 1.67 0.83 1.04 0.62 0.00 -1.26 -4.87 105.19 103.22 1uhs n GLY 4 Ca -0.42 -2.00 -0.03 0.00 0.00 0.00 0.00 46.02 43.57 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 -1.00 4.17 -1.33 4.61 0.00 -1.26 -5.05 120.51 120.64 1uhs n ALA 5 Ca 0.00 -3.31 -0.31 0.00 0.00 0.00 0.00 53.44 49.82 1uhs n ALA 5 Cb 0.00 -0.54 0.08 0.00 0.00 0.00 0.00 19.45 18.99 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 -3.30 2.35 0.53 0.00 0.00 -1.26 -4.85 121.76 115.22 1uhs s ALA 6 Ca 0.43 0.27 0.00 0.00 0.00 0.00 0.00 51.96 52.65 1uhs s ALA 6 Cb 0.39 -3.26 0.00 0.00 0.00 0.00 0.00 23.12 20.25 1uhs s ALA 6 CO -0.03 -1.63 0.00 2.41 0.00 0.00 0.00 175.76 176.51 1uhs n THR 7 N -3.34 -0.26 -4.26 0.00 -1.04 -1.26 -5.03 114.28 99.09 1uhs n THR 7 Ca 0.09 0.62 -0.19 0.00 -2.04 0.00 0.00 64.05 62.53 1uhs n THR 7 Cb 0.53 -1.11 -0.07 0.00 -1.82 0.00 0.00 70.33 67.85 1uhs n THR 7 CO 0.00 0.00 0.00 0.23 -0.64 0.00 0.00 175.07 174.66 1uhs n MET 8 N -4.34 0.45 -4.48 -2.82 0.00 -1.26 -5.19 117.12 99.48 1uhs n MET 8 Ca -0.06 -3.30 -0.23 0.00 0.00 0.00 0.00 57.70 54.11 1uhs n MET 8 Cb 0.68 2.76 -0.10 0.00 0.00 0.00 0.00 33.22 36.56 1uhs n MET 8 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 175.97 176.92 1uhs s THR 9 N -3.30 0.96 0.39 2.03 -4.23 -1.26 -5.03 115.64 105.20 1uhs s THR 9 Ca 0.39 -2.00 0.06 0.00 -1.18 0.00 0.00 61.69 58.96 1uhs s THR 9 Cb 0.02 -2.60 0.26 0.00 1.34 0.00 0.00 72.50 71.52 1uhs s THR 9 CO 0.28 0.00 2.04 1.05 -0.54 0.00 0.00 174.62 177.45 1uhs h GLU 10 N 1.97 0.62 -0.23 3.99 4.11 -2.03 -0.90 114.58 122.12 1uhs h GLU 10 Ca -0.39 -0.04 -0.03 0.00 0.07 0.00 0.00 59.36 58.97 1uhs h GLU 10 Cb 1.26 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 30.36 1uhs h GLU 10 CO 0.65 0.42 0.01 -0.44 0.07 0.00 0.00 179.01 179.71 1uhs h ASP 11 N 0.64 0.30 0.35 3.06 3.32 -1.98 0.43 116.42 122.55 1uhs h ASP 11 Ca 0.17 -0.04 -0.32 0.00 0.02 0.00 0.00 57.03 56.86 1uhs h ASP 11 Cb -0.07 -0.08 0.02 0.00 0.22 0.00 0.00 39.33 39.42 1uhs h ASP 11 CO -0.04 0.35 -1.52 1.56 -1.72 0.00 0.00 179.24 177.88 1uhs h GLN 12 N 0.32 0.40 -0.14 3.56 4.20 -1.56 -3.19 115.11 118.70 1uhs h GLN 12 Ca 0.08 -0.68 -0.18 0.00 0.06 0.00 0.00 58.65 57.92 1uhs h GLN 12 Cb 0.21 0.25 -0.00 0.00 0.30 0.00 0.00 27.48 28.24 1uhs h GLN 12 CO 0.00 1.31 -0.67 0.28 -0.67 0.00 0.00 178.83 179.08 1uhs h VAL 13 N 0.11 1.34 -0.57 -0.54 2.07 -0.90 -1.24 116.25 116.52 1uhs h VAL 13 Ca -0.25 -1.97 -0.02 0.00 0.82 0.00 0.00 66.70 65.28 1uhs h VAL 13 Cb 2.09 1.95 -0.03 0.00 -1.52 0.00 0.00 31.29 33.78 1uhs h VAL 13 CO 0.22 0.61 0.29 -0.33 0.02 0.00 0.00 177.57 178.37 1uhs h GLU 14 N 0.39 0.81 0.00 1.57 5.08 -0.26 0.10 114.58 122.27 1uhs h GLU 14 Ca -0.02 -0.11 -0.20 0.00 -1.00 0.00 0.00 59.36 58.03 1uhs h GLU 14 Cb 1.24 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 30.33 1uhs h GLU 14 CO 0.12 0.64 -0.88 0.82 -1.00 0.00 0.00 179.01 178.71 1uhs h ILE 15 N 0.77 1.48 -0.06 3.13 2.04 -1.55 -1.58 117.51 121.74 1uhs h ILE 15 Ca 0.20 -2.58 -0.12 0.00 1.00 0.00 0.00 64.86 63.35 1uhs h ILE 15 Cb 0.09 2.45 -0.01 0.00 -0.74 0.00 0.00 36.82 38.60 1uhs h ILE 15 CO -0.03 0.75 -0.52 -0.07 0.00 0.00 0.00 178.15 178.28 1uhs h LEU 16 N 0.13 0.17 0.15 1.44 3.38 -0.95 -2.55 115.31 117.07 1uhs h LEU 16 Ca -0.05 -0.09 -0.31 0.00 0.09 0.00 0.00 57.88 57.53 1uhs h LEU 16 Cb 1.51 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 42.21 1uhs h LEU 16 CO 0.14 0.67 -1.49 -0.33 0.09 0.00 0.00 178.44 177.51 1uhs h GLU 17 N 0.12 0.32 -0.05 1.13 5.08 -0.79 -3.28 114.58 117.11 1uhs h GLU 17 Ca 0.00 -0.54 -0.05 0.00 -1.00 0.00 0.00 59.36 57.77 1uhs h GLU 17 Cb 0.97 0.20 -0.01 0.00 0.50 0.00 0.00 28.75 30.41 1uhs h GLU 17 CO 0.08 1.21 -0.18 -0.92 -1.00 0.00 0.00 179.01 178.20 1uhs h TYR 18 N 0.09 0.09 -0.42 4.33 5.03 -1.25 -1.58 116.97 123.26 1uhs h TYR 18 Ca -0.24 -0.01 0.00 0.00 2.58 0.00 0.00 58.73 61.06 1uhs h TYR 18 Cb 2.04 -0.03 0.00 0.00 1.55 0.00 0.00 36.73 40.30 1uhs h TYR 18 CO 0.08 0.27 0.00 0.09 -1.32 0.00 0.00 178.16 177.27 1uhs n ASN 19 N -4.28 3.75 -0.01 -2.11 3.02 -0.97 -2.10 115.26 112.55 1uhs n ASN 19 Ca -0.02 -2.45 -0.01 0.00 -0.03 0.00 0.00 54.58 52.07 1uhs n ASN 19 Cb 0.27 -0.54 -0.03 0.00 -0.61 0.00 0.00 39.78 38.87 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 0.56 0.00 -0.00 3.10 7.35 -0.61 -3.61 117.46 124.25 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 0.76 -0.16 -0.00 0.00 0.35 0.00 0.00 39.48 40.43 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 -2.07 4.34 -1.74 -2.13 3.02 -1.10 -3.97 115.26 111.62 1uhs n ASN 21 Ca -0.05 -0.00 -0.03 0.00 -0.03 0.00 0.00 54.58 54.47 1uhs n ASN 21 Cb 0.56 0.18 0.25 0.00 -0.61 0.00 0.00 39.78 40.16 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 -2.32 3.31 0.01 3.52 4.01 -0.89 -4.65 118.16 121.14 1uhs n LYS 22 Ca -0.00 -2.44 0.00 0.00 -0.51 0.00 0.00 58.31 55.36 1uhs n LYS 22 Cb 0.50 -2.04 0.00 0.00 -0.51 0.00 0.00 35.03 32.98 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 0.02 0.00 -3.61 -0.18 0.31 -1.23 -4.87 118.33 108.77 1uhs n VAL 23 Ca 0.31 0.00 -0.01 0.00 -0.01 0.00 0.00 64.34 64.63 1uhs n VAL 23 Cb 1.16 -0.00 -0.01 0.00 -0.91 0.00 0.00 33.84 34.07 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 -1.68 -0.10 -0.15 4.52 2.20 -1.24 -5.00 114.94 113.49 1uhs s ASN 24 Ca 0.00 -0.07 0.11 0.00 -0.94 0.00 0.00 52.86 51.95 1uhs s ASN 24 Cb 0.00 0.16 -0.17 0.00 -2.00 0.00 0.00 41.25 39.24 1uhs s ASN 24 CO 0.00 -0.28 0.01 0.29 -2.94 0.00 0.00 177.10 174.18 1uhs n LYS 25 N -0.29 1.38 -3.11 3.55 4.01 -1.25 -3.51 118.16 118.94 1uhs n LYS 25 Ca -0.04 0.02 -0.27 0.00 -0.51 0.00 0.00 58.31 57.50 1uhs n LYS 25 Cb 0.61 -1.37 -0.05 0.00 -0.51 0.00 0.00 35.03 33.70 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 -2.64 3.91 -1.45 2.13 8.25 -1.26 -4.95 115.22 119.21 1uhs n HIS 26 Ca -0.26 -4.04 -0.31 0.00 -0.26 0.00 0.00 57.72 52.86 1uhs n HIS 26 Cb 0.95 -0.53 0.07 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 -3.13 2.61 0.54 -0.41 0.04 -1.26 -5.07 135.00 128.32 1uhs s PRO 27 Ca 0.46 1.01 0.02 0.00 0.04 0.00 0.00 61.00 62.53 1uhs s PRO 27 Cb 0.23 -1.95 0.03 0.00 0.04 0.00 0.00 34.50 32.85 1uhs s PRO 27 CO -0.09 -1.35 0.76 -0.51 0.04 0.00 0.00 177.00 175.85 1uhs s ASP 28 N -3.65 5.30 0.60 6.66 1.11 -1.26 -4.88 116.67 120.55 1uhs s ASP 28 Ca 0.59 -0.03 0.29 0.00 0.18 0.00 0.00 52.55 53.59 1uhs s ASP 28 Cb -0.15 -0.87 1.60 0.00 1.07 0.00 0.00 42.92 44.57 1uhs s ASP 28 CO 0.55 -1.12 2.00 -0.65 1.18 0.00 0.00 175.17 177.14 1uhs h PRO 29 N 0.10 0.00 -0.20 8.23 0.11 -1.98 -0.75 132.00 137.51 1uhs h PRO 29 Ca -0.42 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.67 1uhs h PRO 29 Cb 1.30 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.40 1uhs h PRO 29 CO 0.52 0.00 0.04 1.15 -0.21 0.00 0.00 178.00 179.50 1uhs h THR 30 N 0.00 1.22 0.07 -1.15 2.02 -2.01 -1.96 112.91 111.11 1uhs h THR 30 Ca 0.13 -0.72 -0.25 0.00 0.77 0.00 0.00 66.41 66.34 1uhs h THR 30 Cb 0.78 1.31 0.01 0.00 -1.74 0.00 0.00 68.15 68.50 1uhs h THR 30 CO -0.00 0.22 -1.10 0.74 0.37 0.00 0.00 175.52 175.75 1uhs h THR 31 N 0.13 1.43 -0.55 3.16 2.02 -1.64 -3.25 112.91 114.21 1uhs h THR 31 Ca 0.06 -2.70 0.02 0.00 0.77 0.00 0.00 66.41 64.56 1uhs h THR 31 Cb 0.30 2.67 -0.03 0.00 -1.74 0.00 0.00 68.15 69.35 1uhs h THR 31 CO 0.00 0.80 0.36 0.25 0.37 0.00 0.00 175.52 177.31 1uhs h LEU 32 N 0.17 0.58 -1.17 2.58 5.85 -1.15 -1.61 115.31 120.56 1uhs h LEU 32 Ca -0.12 -0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.59 1uhs h LEU 32 Cb 1.78 -0.14 -0.04 0.00 0.37 0.00 0.00 40.66 42.63 1uhs h LEU 32 CO 0.19 0.41 0.43 0.00 -0.34 0.00 0.00 178.44 179.12 1uhs h LEU 34 N 1.02 0.87 -0.68 0.00 3.38 -1.41 -2.81 115.31 115.68 1uhs h LEU 34 Ca 0.26 -0.33 -0.14 0.00 0.09 0.00 0.00 57.88 57.76 1uhs h LEU 34 Cb -0.02 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.47 1uhs h LEU 34 CO -0.05 1.07 -0.64 0.40 0.09 0.00 0.00 178.44 179.31 1uhs h ILE 35 N 0.73 1.44 -0.26 1.22 2.04 -1.13 -2.09 117.51 119.46 1uhs h ILE 35 Ca 0.09 -2.15 -0.02 0.00 1.00 0.00 0.00 64.86 63.78 1uhs h ILE 35 Cb 0.79 2.14 -0.01 0.00 -0.74 0.00 0.00 36.82 39.00 1uhs h ILE 35 CO 0.07 0.62 0.07 0.00 0.00 0.00 0.00 178.15 178.91 1uhs h ALA 36 N 1.29 0.34 -0.02 1.87 0.00 -0.83 -1.63 119.26 120.29 1uhs h ALA 36 Ca -0.01 -0.16 -0.15 0.00 0.00 0.00 0.00 54.91 54.59 1uhs h ALA 36 Cb 1.14 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.82 1uhs h ALA 36 CO 0.09 -0.01 -0.69 0.00 0.00 0.00 0.00 179.25 178.64 1uhs h ALA 37 N 0.90 0.81 0.61 0.00 0.00 -1.51 0.88 119.26 120.95 1uhs h ALA 37 Ca 0.08 -0.61 -0.03 0.00 0.00 0.00 0.00 54.91 54.35 1uhs h ALA 37 Cb 0.26 -0.10 0.01 0.00 0.00 0.00 0.00 17.79 17.96 1uhs h ALA 37 CO -0.00 0.82 -0.29 1.49 0.00 0.00 0.00 179.25 181.27 1uhs h GLU 38 N 0.07 -0.79 -0.16 0.00 4.81 -1.22 -3.24 114.58 114.05 1uhs h GLU 38 Ca -0.01 0.05 -0.10 0.00 -0.13 0.00 0.00 59.36 59.17 1uhs h GLU 38 Cb 1.22 0.18 -0.01 0.00 0.63 0.00 0.00 28.75 30.77 1uhs h GLU 38 CO 0.10 -0.52 -0.33 0.00 -0.73 0.00 0.00 179.01 177.53 1uhs h ALA 39 N -1.45 1.15 0.00 2.92 0.00 -1.40 -3.47 119.26 117.00 1uhs h ALA 39 Ca -0.08 -0.37 0.00 0.00 0.00 0.00 0.00 54.91 54.46 1uhs h ALA 39 Cb 0.63 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.32 1uhs h ALA 39 CO 0.14 0.55 0.00 0.41 0.00 0.00 0.00 179.25 180.35 1uhs n GLY 40 N -0.32 1.89 0.61 0.00 0.00 -0.12 -4.78 105.19 102.45 1uhs n GLY 40 Ca -0.01 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.96 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 -4.89 0.99 4.77 0.29 -4.98 117.00 113.17 1uhs n LEU 41 Ca 0.00 -0.56 -0.20 0.00 -0.03 0.00 0.00 56.01 55.22 1uhs n LEU 41 Cb 0.00 0.15 -0.03 0.00 -2.33 0.00 0.00 43.42 41.22 1uhs n LEU 41 CO 0.00 -0.08 0.00 0.42 -1.33 0.00 0.00 177.39 176.40 1uhs s THR 42 N -1.69 3.02 0.25 -5.08 -4.23 -1.26 -3.92 115.64 102.73 1uhs s THR 42 Ca 0.03 -1.29 -0.04 0.00 -1.18 0.00 0.00 61.69 59.22 1uhs s THR 42 Cb 0.00 -3.07 0.14 0.00 1.34 0.00 0.00 72.50 70.91 1uhs s THR 42 CO 0.02 -0.06 1.78 -0.33 -0.54 0.00 0.00 174.62 175.49 1uhs h GLU 43 N 1.03 0.94 0.48 3.99 3.07 -1.94 -2.24 114.58 119.91 1uhs h GLU 43 Ca -0.42 -0.21 -0.02 0.00 -0.50 0.00 0.00 59.36 58.21 1uhs h GLU 43 Cb 1.26 -0.13 0.00 0.00 -0.84 0.00 0.00 28.75 29.05 1uhs h GLU 43 CO 0.56 0.84 -0.24 1.49 -1.40 0.00 0.00 179.01 180.26 1uhs h GLU 44 N 0.89 -0.63 -0.60 2.33 4.57 -1.97 0.65 114.58 119.82 1uhs h GLU 44 Ca 0.19 0.04 0.04 0.00 -1.18 0.00 0.00 59.36 58.46 1uhs h GLU 44 Cb 0.34 0.14 -0.03 0.00 -0.16 0.00 0.00 28.75 29.04 1uhs h GLU 44 CO 0.00 -0.42 0.40 1.96 -1.18 0.00 0.00 179.01 179.77 1uhs h GLN 45 N -0.66 0.64 0.00 1.92 4.20 -1.95 -1.42 115.11 117.84 1uhs h GLN 45 Ca -0.06 -0.04 -0.19 0.00 0.06 0.00 0.00 58.65 58.42 1uhs h GLN 45 Cb 0.51 -0.14 -0.03 0.00 0.30 0.00 0.00 27.48 28.12 1uhs h GLN 45 CO 0.10 0.42 -0.90 1.15 -0.67 0.00 0.00 178.83 178.93 1uhs h THR 46 N 0.66 1.63 -0.05 -0.54 2.02 -1.04 -3.18 112.91 112.40 1uhs h THR 46 Ca 0.25 -3.10 -0.02 0.00 0.77 0.00 0.00 66.41 64.31 1uhs h THR 46 Cb 0.15 2.68 -0.00 0.00 -1.74 0.00 0.00 68.15 69.24 1uhs h THR 46 CO -0.07 0.88 -0.06 -0.61 0.37 0.00 0.00 175.52 176.04 1uhs h GLN 47 N 0.00 0.07 0.18 6.66 4.15 0.14 -2.29 115.11 124.03 1uhs h GLN 47 Ca -0.01 -0.01 -0.31 0.00 0.77 0.00 0.00 58.65 59.09 1uhs h GLN 47 Cb 1.61 -0.01 0.03 0.00 0.21 0.00 0.00 27.48 29.31 1uhs h GLN 47 CO 0.12 0.14 -1.34 0.87 -1.93 0.00 0.00 178.83 176.69 1uhs h LYS 48 N 0.07 0.51 -0.47 1.69 1.79 -1.51 -3.07 116.57 115.59 1uhs h LYS 48 Ca 0.02 -0.79 0.01 0.00 -2.18 0.00 0.00 60.65 57.71 1uhs h LYS 48 Cb 0.15 0.28 -0.03 0.00 -1.58 0.00 0.00 32.23 31.06 1uhs h LYS 48 CO 0.01 1.37 0.29 2.35 -1.08 0.00 0.00 179.45 182.38 1uhs h TRP 49 N 0.18 0.55 -0.09 -1.35 7.01 -1.43 0.38 115.95 121.20 1uhs h TRP 49 Ca -0.20 0.02 -0.07 0.00 2.11 0.00 0.00 58.89 60.74 1uhs h TRP 49 Cb 2.03 -0.18 -0.01 0.00 -2.10 0.00 0.00 29.16 28.90 1uhs h TRP 49 CO 0.11 0.33 -0.26 0.74 -2.79 0.00 0.00 178.44 176.56 1uhs h PHE 50 N 0.59 0.17 0.20 2.65 -1.00 -1.53 -0.56 116.94 117.46 1uhs h PHE 50 Ca 0.18 -0.03 -0.01 0.00 2.81 0.00 0.00 57.97 60.92 1uhs h PHE 50 Cb -0.02 -0.05 0.00 0.00 3.61 0.00 0.00 35.95 39.50 1uhs h PHE 50 CO -0.06 0.42 -0.10 -0.22 -1.61 0.00 0.00 178.31 176.74 1uhs h LYS 51 N 0.14 -0.26 -0.34 1.51 3.64 -1.28 -2.48 116.57 117.51 1uhs h LYS 51 Ca 0.02 0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.42 1uhs h LYS 51 Cb 0.55 0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 32.41 1uhs h LYS 51 CO 0.04 0.12 0.22 1.96 -2.27 0.00 0.00 179.45 179.52 1uhs h GLN 52 N -0.90 0.44 -0.19 1.90 4.20 -0.94 -2.09 115.11 117.53 1uhs h GLN 52 Ca -0.03 -0.03 0.01 0.00 0.06 0.00 0.00 58.65 58.67 1uhs h GLN 52 Cb 0.50 -0.10 -0.01 0.00 0.30 0.00 0.00 27.48 28.17 1uhs h GLN 52 CO 0.05 0.29 0.13 -0.09 -0.67 0.00 0.00 178.83 178.54 1uhs h ARG 53 N 0.46 0.19 0.00 1.46 9.65 -1.21 -0.95 114.38 123.98 1uhs h ARG 53 Ca 0.12 -0.01 -0.04 0.00 -1.10 0.00 0.00 59.98 58.95 1uhs h ARG 53 Cb -0.05 -0.04 -0.01 0.00 -1.39 0.00 0.00 29.97 28.48 1uhs h ARG 53 CO -0.03 0.13 -0.20 -0.07 2.80 0.00 0.00 179.97 182.60 1uhs h LEU 54 N 0.20 0.00 -2.00 3.80 3.38 -0.88 -2.20 115.31 117.60 1uhs h LEU 54 Ca 0.08 0.00 0.03 0.00 0.09 0.00 0.00 57.88 58.08 1uhs h LEU 54 Cb 0.06 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.81 1uhs h LEU 54 CO -0.01 0.20 0.09 0.00 0.09 0.00 0.00 178.44 178.80 1uhs h ALA 55 N 1.80 2.11 0.18 1.53 0.00 -1.06 -1.09 119.26 122.73 1uhs h ALA 55 Ca -0.00 -0.00 -0.35 0.00 0.00 0.00 0.00 54.91 54.56 1uhs h ALA 55 Cb 0.36 0.01 0.01 0.00 0.00 0.00 0.00 17.79 18.16 1uhs h ALA 55 CO 0.03 -0.15 -1.74 0.93 0.00 0.00 0.00 179.25 178.32 1uhs h GLU 56 N 0.00 0.38 -0.87 0.00 4.39 -1.52 -3.32 114.58 113.65 1uhs h GLU 56 Ca 0.06 -0.65 0.01 0.00 0.34 0.00 0.00 59.36 59.12 1uhs h GLU 56 Cb 0.23 0.24 -0.05 0.00 -0.10 0.00 0.00 28.75 29.07 1uhs h GLU 56 CO -0.00 1.31 0.57 2.35 -1.16 0.00 0.00 179.01 182.08 1uhs h TRP 57 N 0.07 1.08 -0.08 4.33 7.01 -1.19 -1.53 115.95 125.64 1uhs h TRP 57 Ca -0.35 0.03 -0.02 0.00 2.11 0.00 0.00 58.89 60.66 1uhs h TRP 57 Cb 2.07 -0.36 -0.01 0.00 -2.10 0.00 0.00 29.16 28.76 1uhs h TRP 57 CO 0.10 0.67 -0.04 0.00 -2.79 0.00 0.00 178.44 176.38 1uhs h ARG 58 N 1.15 0.11 -0.00 2.65 3.08 -1.36 -0.62 114.38 119.40 1uhs h ARG 58 Ca 0.32 -0.01 -0.00 0.00 0.07 0.00 0.00 59.98 60.36 1uhs h ARG 58 Cb -0.10 -0.02 -0.00 0.00 0.08 0.00 0.00 29.97 29.93 1uhs h ARG 58 CO -0.08 0.16 -0.01 0.00 -1.07 0.00 0.00 179.97 178.98 1uhs h ARG 59 N 0.11 0.01 0.21 0.04 2.47 -1.39 -1.01 114.38 114.83 1uhs h ARG 59 Ca 0.03 -0.01 -0.01 0.00 -1.26 0.00 0.00 59.98 58.73 1uhs h ARG 59 Cb 0.14 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.47 1uhs h ARG 59 CO 0.01 0.54 -0.10 1.03 0.56 0.00 0.00 179.97 182.01 1uhs h SER 60 N -0.52 -0.24 0.30 7.04 0.87 -1.17 -3.37 113.55 116.45 1uhs h SER 60 Ca 0.00 0.01 -0.01 0.00 -1.23 0.00 0.00 61.79 60.55 1uhs h SER 60 Cb 0.54 0.06 0.00 0.00 -0.44 0.00 0.00 62.40 62.57 1uhs h SER 60 CO 0.00 -0.13 -0.15 -0.33 -0.53 0.00 0.00 176.83 175.70 1uhs h GLU 61 N -0.38 -0.39 0.00 2.24 4.39 -1.28 -3.50 114.58 115.66 1uhs h GLU 61 Ca -0.03 0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1uhs h GLU 61 Cb 0.22 0.09 0.00 0.00 -0.10 0.00 0.00 28.75 28.96 1uhs h GLU 61 CO 0.05 -0.26 0.00 0.41 -1.16 0.00 0.00 179.01 178.05 1uhs n GLY 62 N -1.20 2.33 3.27 -3.84 0.00 -0.38 -5.05 105.19 100.32 1uhs n GLY 62 Ca -0.05 -1.51 -0.15 0.00 0.00 0.00 0.00 46.02 44.31 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 1.46 1.09 0.99 1.02 -1.26 -5.03 118.68 116.94 1uhs s LEU 63 Ca 0.00 -1.45 -0.17 0.00 0.02 0.00 0.00 54.13 52.53 1uhs s LEU 63 Cb 0.00 0.24 0.09 0.00 0.02 0.00 0.00 46.19 46.54 1uhs s LEU 63 CO 0.00 -0.83 0.09 -2.65 0.02 0.00 0.00 176.35 172.98 1uhs n PRO 64 N -0.42 -1.34 0.00 1.29 -0.02 -1.26 -4.75 135.00 128.49 1uhs n PRO 64 Ca 0.02 -0.37 0.00 0.00 -2.02 0.00 0.00 63.50 61.13 1uhs n PRO 64 Cb 0.66 -1.73 0.00 0.00 -0.02 0.00 0.00 33.50 32.40 1uhs n PRO 64 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 1uhs n SER 65 N -1.62 -4.64 -0.57 2.55 7.64 -1.26 -4.98 113.62 110.74 1uhs n SER 65 Ca 0.02 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.90 1uhs n SER 65 Cb 0.60 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.80 1uhs n SER 65 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1uhs n GLU 66 N -1.14 0.00 -2.23 1.43 1.02 -1.26 -5.03 120.64 113.43 1uhs n GLU 66 Ca 0.00 0.00 -0.01 0.00 -0.02 0.00 0.00 57.16 57.13 1uhs n GLU 66 Cb 0.00 0.00 -0.00 0.00 -0.02 0.00 0.00 31.44 31.42 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 1.62 2.78 -4.33 0.00 0.63 -1.26 -4.98 116.66 111.11 1uhs n ARG 68 Ca -0.04 1.01 -0.21 0.00 -0.92 0.00 0.00 57.85 57.70 1uhs n ARG 68 Cb 0.06 -2.93 -0.13 0.00 0.45 0.00 0.00 32.46 29.91 1uhs n ARG 68 CO 0.00 0.00 0.00 -1.12 -2.51 0.00 0.00 177.63 174.00 1uhs s SER 69 N 3.61 1.83 0.00 6.15 0.01 -1.26 -5.01 113.70 119.03 1uhs s SER 69 Ca 0.86 -0.52 0.00 0.00 1.31 0.00 0.00 55.95 57.60 1uhs s SER 69 Cb -0.48 -0.11 0.00 0.00 0.21 0.00 0.00 66.02 65.65 1uhs s SER 69 CO 0.41 0.02 0.00 1.33 0.41 0.00 0.00 173.24 175.41 1uhs n VAL 70 N 1.67 0.00 0.00 3.43 0.24 -1.26 -5.05 118.33 117.37 1uhs n VAL 70 Ca -0.19 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.11 1uhs n VAL 70 Cb 0.54 -0.10 0.00 0.00 -1.47 0.00 0.00 33.84 32.81 1uhs n VAL 70 CO 0.00 0.00 0.00 1.07 -2.14 0.00 0.00 176.83 175.76 1uhs n THR 71 N -2.07 0.00 1.01 3.34 5.66 -1.26 -5.38 114.28 115.57 1uhs n THR 71 Ca 0.00 0.00 0.12 0.00 -3.05 0.00 0.00 64.05 61.12 1uhs n THR 71 Cb 0.00 -0.05 0.10 0.00 -1.55 0.00 0.00 70.33 68.84 1uhs n THR 71 CO 0.00 0.00 0.00 -0.67 -3.05 0.00 0.00 175.07 171.35