#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 5.02 -0.22 1.61 0.15 -1.26 -4.76 113.70 114.24 1uhs s SER 2 Ca 0.00 0.55 0.15 0.00 0.70 0.00 0.00 55.95 57.35 1uhs s SER 2 Cb 0.00 -2.52 0.46 0.00 -1.71 0.00 0.00 66.02 62.25 1uhs s SER 2 CO 0.00 -2.53 1.18 1.21 1.20 0.00 0.00 173.24 174.29 1uhs n GLU 3 N 9.14 2.09 0.00 5.44 0.00 -1.26 -4.88 120.64 131.17 1uhs n GLU 3 Ca 0.25 -3.45 0.00 0.00 0.00 0.00 0.00 57.16 53.96 1uhs n GLU 3 Cb 0.53 -1.59 0.00 0.00 0.00 0.00 0.00 31.44 30.38 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 -0.59 -1.92 1.47 8.31 0.00 -1.26 -5.14 105.19 106.06 1uhs n GLY 4 Ca 0.23 0.91 0.00 0.00 0.00 0.00 0.00 46.02 47.16 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 0.00 -1.96 -3.09 4.61 0.00 -1.26 -4.98 120.51 113.83 1uhs n ALA 5 Ca 0.00 0.41 -0.32 0.00 0.00 0.00 0.00 53.44 53.53 1uhs n ALA 5 Cb 0.00 -1.33 -0.16 0.00 0.00 0.00 0.00 19.45 17.96 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 -3.04 2.25 -0.01 0.00 0.00 -1.26 -5.03 121.76 114.67 1uhs s ALA 6 Ca 0.00 -0.97 -0.22 0.00 0.00 0.00 0.00 51.96 50.77 1uhs s ALA 6 Cb 0.00 -0.85 -0.12 0.00 0.00 0.00 0.00 23.12 22.15 1uhs s ALA 6 CO 0.00 0.31 0.90 1.79 0.00 0.00 0.00 175.76 178.77 1uhs h THR 7 N 5.51 0.04 -3.42 0.00 1.35 -2.06 -3.45 112.91 110.87 1uhs h THR 7 Ca -0.23 -0.45 -0.41 0.00 -0.55 0.00 0.00 66.41 64.76 1uhs h THR 7 Cb 1.22 0.06 0.19 0.00 -1.73 0.00 0.00 68.15 67.89 1uhs h THR 7 CO 0.48 0.01 0.07 -0.04 -0.25 0.00 0.00 175.52 175.79 1uhs s MET 8 N -4.07 -1.36 0.37 4.72 -1.94 -1.26 -5.07 119.30 110.69 1uhs s MET 8 Ca -0.11 0.15 0.08 0.00 -1.71 0.00 0.00 55.69 54.09 1uhs s MET 8 Cb 0.01 -1.56 -0.05 0.00 2.01 0.00 0.00 34.83 35.24 1uhs s MET 8 CO 0.35 -3.85 0.11 0.95 -0.01 0.00 0.00 175.02 172.57 1uhs s THR 9 N -2.78 2.56 0.45 2.05 -4.23 -1.26 -5.02 115.64 107.41 1uhs s THR 9 Ca 0.69 -1.79 0.11 0.00 -1.18 0.00 0.00 61.69 59.52 1uhs s THR 9 Cb -0.13 -2.93 0.28 0.00 1.34 0.00 0.00 72.50 71.06 1uhs s THR 9 CO 0.58 -0.11 2.08 -0.33 -0.54 0.00 0.00 174.62 176.30 1uhs h GLU 10 N 1.59 0.34 -0.73 3.99 5.08 -1.98 -1.32 114.58 121.55 1uhs h GLU 10 Ca -0.43 -0.02 -0.05 0.00 -1.00 0.00 0.00 59.36 57.86 1uhs h GLU 10 Cb 1.25 -0.08 -0.03 0.00 0.50 0.00 0.00 28.75 30.39 1uhs h GLU 10 CO 0.68 0.23 0.25 -0.44 -1.00 0.00 0.00 179.01 178.73 1uhs h ASP 11 N 0.35 1.04 -0.06 1.42 3.32 -1.98 0.48 116.42 120.99 1uhs h ASP 11 Ca 0.12 -0.18 -0.19 0.00 0.02 0.00 0.00 57.03 56.81 1uhs h ASP 11 Cb 0.06 -0.27 0.01 0.00 0.22 0.00 0.00 39.33 39.35 1uhs h ASP 11 CO -0.03 0.95 -0.69 1.56 -1.72 0.00 0.00 179.24 179.31 1uhs h GLN 12 N 1.08 0.58 -0.01 3.56 4.20 -1.67 -2.79 115.11 120.05 1uhs h GLN 12 Ca 0.24 -0.54 -0.12 0.00 0.06 0.00 0.00 58.65 58.29 1uhs h GLN 12 Cb 0.26 0.13 -0.02 0.00 0.30 0.00 0.00 27.48 28.16 1uhs h GLN 12 CO -0.01 1.16 -0.59 0.28 -0.67 0.00 0.00 178.83 179.00 1uhs h VAL 13 N 0.19 1.42 -0.21 -0.54 2.07 -1.15 -0.94 116.25 117.10 1uhs h VAL 13 Ca -0.07 -2.01 -0.06 0.00 0.82 0.00 0.00 66.70 65.38 1uhs h VAL 13 Cb 1.35 2.08 -0.01 0.00 -1.52 0.00 0.00 31.29 33.19 1uhs h VAL 13 CO 0.14 0.58 -0.10 -0.33 0.02 0.00 0.00 177.57 177.87 1uhs h GLU 14 N 0.01 0.43 -0.06 1.57 5.08 -0.06 -2.00 114.58 119.55 1uhs h GLU 14 Ca -0.01 -0.19 -0.21 0.00 -1.00 0.00 0.00 59.36 57.95 1uhs h GLU 14 Cb 1.04 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.29 1uhs h GLU 14 CO 0.08 0.72 -0.84 0.82 -1.00 0.00 0.00 179.01 178.79 1uhs h ILE 15 N 0.13 1.36 0.00 3.13 2.04 -1.48 -1.77 117.51 120.91 1uhs h ILE 15 Ca 0.05 -2.22 -0.05 0.00 1.00 0.00 0.00 64.86 63.63 1uhs h ILE 15 Cb 0.60 2.21 -0.01 0.00 -0.74 0.00 0.00 36.82 38.88 1uhs h ILE 15 CO 0.03 0.67 -0.26 -0.07 0.00 0.00 0.00 178.15 178.53 1uhs h LEU 16 N 0.33 0.00 0.02 1.44 3.38 -1.18 -2.48 115.31 116.81 1uhs h LEU 16 Ca -0.06 0.00 -0.27 0.00 0.09 0.00 0.00 57.88 57.64 1uhs h LEU 16 Cb 1.45 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 42.16 1uhs h LEU 16 CO 0.15 0.26 -1.49 -0.33 0.09 0.00 0.00 178.44 177.12 1uhs h GLU 17 N 0.00 0.03 -0.30 1.13 5.08 -1.32 -3.31 114.58 115.90 1uhs h GLU 17 Ca -0.00 -0.06 -0.06 0.00 -1.00 0.00 0.00 59.36 58.23 1uhs h GLU 17 Cb 0.46 0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.72 1uhs h GLU 17 CO 0.03 0.73 -0.09 -0.92 -1.00 0.00 0.00 179.01 177.76 1uhs h TYR 18 N 0.01 0.52 -0.44 4.33 5.03 -1.01 -2.16 116.97 123.25 1uhs h TYR 18 Ca -0.20 -0.07 -0.00 0.00 2.58 0.00 0.00 58.73 61.03 1uhs h TYR 18 Cb 1.94 -0.14 -0.00 0.00 1.55 0.00 0.00 36.73 40.08 1uhs h TYR 18 CO 0.01 0.57 0.00 0.09 -1.32 0.00 0.00 178.16 177.52 1uhs n ASN 19 N -4.23 4.62 -0.00 -2.11 3.02 -0.96 -3.02 115.26 112.58 1uhs n ASN 19 Ca 0.01 -2.71 0.01 0.00 -0.03 0.00 0.00 54.58 51.85 1uhs n ASN 19 Cb 0.30 -0.64 -0.02 0.00 -0.61 0.00 0.00 39.78 38.81 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 0.47 0.00 0.03 3.10 7.35 -0.82 -4.07 117.46 123.52 1uhs n PHE 20 Ca 0.21 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.90 1uhs n PHE 20 Cb 0.98 -0.05 0.00 0.00 0.35 0.00 0.00 39.48 40.76 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 -1.60 0.51 0.25 -2.13 3.02 -1.14 -3.75 115.26 110.41 1uhs n ASN 21 Ca -0.01 0.10 0.07 0.00 -0.03 0.00 0.00 54.58 54.71 1uhs n ASN 21 Cb 0.08 -0.13 0.60 0.00 -0.61 0.00 0.00 39.78 39.71 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 0.00 0.00 3.52 6.56 -1.77 -3.35 116.57 121.53 1uhs h LYS 22 Ca 0.00 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.59 1uhs h LYS 22 Cb 0.42 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.08 1uhs h LYS 22 CO 0.00 0.09 -0.18 0.28 -2.06 0.00 0.00 179.45 177.58 1uhs n VAL 23 N -4.34 0.28 -3.85 0.50 0.31 -1.23 -5.06 118.33 104.94 1uhs n VAL 23 Ca -0.03 0.43 0.00 0.00 -0.01 0.00 0.00 64.34 64.73 1uhs n VAL 23 Cb 0.17 -1.65 0.01 0.00 -0.91 0.00 0.00 33.84 31.46 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 -2.86 -0.79 -0.03 4.52 0.23 -1.26 -5.01 115.26 110.06 1uhs n ASN 24 Ca -0.03 -1.28 -0.03 0.00 -0.53 0.00 0.00 54.58 52.71 1uhs n ASN 24 Cb 0.10 1.26 -0.03 0.00 -2.08 0.00 0.00 39.78 39.03 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 -0.48 0.86 -3.30 -3.83 4.01 -1.25 -3.54 118.16 110.63 1uhs n LYS 25 Ca 0.01 0.02 -0.28 0.00 -0.51 0.00 0.00 58.31 57.55 1uhs n LYS 25 Cb 0.33 -1.11 -0.07 0.00 -0.51 0.00 0.00 35.03 33.67 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 -2.55 3.62 -0.60 2.13 8.25 -1.26 -4.97 115.22 119.84 1uhs n HIS 26 Ca -0.09 -4.00 0.00 0.00 -0.26 0.00 0.00 57.72 53.37 1uhs n HIS 26 Cb 0.61 -0.61 0.00 0.00 1.12 0.00 0.00 29.99 31.12 1uhs n HIS 26 CO 0.00 0.00 0.00 -0.35 0.64 0.00 0.00 176.34 176.63 1uhs n PRO 27 N 0.68 -0.33 -4.49 -0.41 -0.04 -1.26 -5.10 135.00 124.04 1uhs n PRO 27 Ca 0.30 0.00 -0.27 0.00 -0.04 0.00 0.00 63.50 63.49 1uhs n PRO 27 Cb 0.40 0.00 -0.10 0.00 -0.04 0.00 0.00 33.50 33.76 1uhs n PRO 27 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1uhs s ASP 28 N -1.29 4.05 0.61 3.54 1.11 -1.26 -5.00 116.67 118.44 1uhs s ASP 28 Ca 0.00 -1.31 0.29 0.00 0.18 0.00 0.00 52.55 51.71 1uhs s ASP 28 Cb 0.00 -0.35 1.52 0.00 1.07 0.00 0.00 42.92 45.16 1uhs s ASP 28 CO 0.00 -0.51 1.91 -0.65 1.18 0.00 0.00 175.17 177.10 1uhs h PRO 29 N 1.64 0.00 0.38 8.23 0.11 -1.99 -1.55 132.00 138.83 1uhs h PRO 29 Ca -0.44 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.66 1uhs h PRO 29 Cb 1.25 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.36 1uhs h PRO 29 CO 0.77 0.00 -0.18 1.15 -0.21 0.00 0.00 178.00 179.53 1uhs h THR 30 N 0.00 0.32 -0.98 -1.15 2.02 -2.00 -2.35 112.91 108.78 1uhs h THR 30 Ca 0.13 -0.67 0.01 0.00 0.77 0.00 0.00 66.41 66.65 1uhs h THR 30 Cb 0.97 0.50 -0.05 0.00 -1.74 0.00 0.00 68.15 67.84 1uhs h THR 30 CO -0.00 0.07 0.63 0.74 0.37 0.00 0.00 175.52 177.33 1uhs h THR 31 N -1.03 1.26 -0.07 3.16 2.02 -1.78 -1.69 112.91 114.78 1uhs h THR 31 Ca -0.05 -0.49 -0.03 0.00 0.77 0.00 0.00 66.41 66.61 1uhs h THR 31 Cb 0.51 -0.17 -0.01 0.00 -1.74 0.00 0.00 68.15 66.75 1uhs h THR 31 CO 0.09 0.25 -0.10 0.25 0.37 0.00 0.00 175.52 176.38 1uhs h LEU 32 N 1.33 0.09 -1.34 2.58 5.85 -1.38 -2.18 115.31 120.26 1uhs h LEU 32 Ca 0.36 -0.01 -0.01 0.00 0.84 0.00 0.00 57.88 59.06 1uhs h LEU 32 Cb -0.13 -0.02 -0.03 0.00 0.37 0.00 0.00 40.66 40.85 1uhs h LEU 32 CO -0.07 0.20 0.34 0.00 -0.34 0.00 0.00 178.44 178.56 1uhs h LEU 34 N 0.80 0.00 -0.24 0.00 3.38 -1.39 -2.46 115.31 115.40 1uhs h LEU 34 Ca 0.21 0.00 -0.21 0.00 0.09 0.00 0.00 57.88 57.96 1uhs h LEU 34 Cb -0.01 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.74 1uhs h LEU 34 CO -0.04 0.54 -0.86 0.40 0.09 0.00 0.00 178.44 178.58 1uhs h ILE 35 N 0.00 1.37 -0.20 1.22 2.04 -1.25 -1.77 117.51 118.93 1uhs h ILE 35 Ca -0.01 -2.27 -0.16 0.00 1.00 0.00 0.00 64.86 63.43 1uhs h ILE 35 Cb 0.97 2.26 -0.01 0.00 -0.74 0.00 0.00 36.82 39.30 1uhs h ILE 35 CO 0.07 0.69 -0.52 0.00 0.00 0.00 0.00 178.15 178.38 1uhs h ALA 36 N 0.76 0.72 -0.04 1.87 0.00 -1.22 -2.15 119.26 119.22 1uhs h ALA 36 Ca -0.06 -0.50 -0.13 0.00 0.00 0.00 0.00 54.91 54.22 1uhs h ALA 36 Cb 1.47 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 19.18 1uhs h ALA 36 CO 0.15 0.68 -0.49 0.00 0.00 0.00 0.00 179.25 179.59 1uhs h ALA 37 N 0.99 0.11 0.43 0.00 0.00 -1.46 0.62 119.26 119.95 1uhs h ALA 37 Ca 0.01 -0.52 -0.02 0.00 0.00 0.00 0.00 54.91 54.38 1uhs h ALA 37 Cb 1.06 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.87 1uhs h ALA 37 CO 0.10 0.30 -0.21 1.49 0.00 0.00 0.00 179.25 180.93 1uhs h GLU 38 N -0.10 -0.56 -0.94 0.00 4.81 -1.35 -3.22 114.58 113.21 1uhs h GLU 38 Ca -0.05 0.04 0.04 0.00 -0.13 0.00 0.00 59.36 59.25 1uhs h GLU 38 Cb 1.18 0.13 -0.06 0.00 0.63 0.00 0.00 28.75 30.63 1uhs h GLU 38 CO 0.10 -0.37 0.61 0.00 -0.73 0.00 0.00 179.01 178.62 1uhs h ALA 39 N -1.68 1.25 0.00 2.92 0.00 -1.55 -3.47 119.26 116.74 1uhs h ALA 39 Ca -0.06 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.81 1uhs h ALA 39 Cb 0.44 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 17.90 1uhs h ALA 39 CO 0.10 0.49 0.00 0.41 0.00 0.00 0.00 179.25 180.25 1uhs n GLY 40 N -1.36 1.84 0.15 0.00 0.00 -0.43 -4.90 105.19 100.49 1uhs n GLY 40 Ca 0.12 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.13 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 -4.77 0.99 4.77 0.20 -4.98 117.00 113.22 1uhs n LEU 41 Ca 0.00 -0.13 -0.23 0.00 -0.03 0.00 0.00 56.01 55.62 1uhs n LEU 41 Cb 0.00 0.01 -0.05 0.00 -2.33 0.00 0.00 43.42 41.05 1uhs n LEU 41 CO 0.00 -0.06 -0.23 0.42 -1.33 0.00 0.00 177.39 176.19 1uhs s THR 42 N -0.89 4.17 0.49 -5.08 -4.23 -1.26 -4.17 115.64 104.67 1uhs s THR 42 Ca 0.00 -1.47 0.15 0.00 -1.18 0.00 0.00 61.69 59.19 1uhs s THR 42 Cb -0.00 -3.22 0.28 0.00 1.34 0.00 0.00 72.50 70.91 1uhs s THR 42 CO 0.00 -0.30 2.11 -0.33 -0.54 0.00 0.00 174.62 175.56 1uhs h GLU 43 N 1.82 0.13 0.45 3.99 5.08 -1.93 -1.64 114.58 122.48 1uhs h GLU 43 Ca -0.47 -0.01 -0.02 0.00 -1.00 0.00 0.00 59.36 57.86 1uhs h GLU 43 Cb 1.23 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 30.46 1uhs h GLU 43 CO 0.61 0.08 -0.21 1.49 -1.00 0.00 0.00 179.01 179.98 1uhs h GLU 44 N 0.13 -0.58 -0.55 2.33 4.57 -1.98 0.41 114.58 118.92 1uhs h GLU 44 Ca 0.07 0.04 -0.01 0.00 -1.18 0.00 0.00 59.36 58.28 1uhs h GLU 44 Cb 0.12 0.13 -0.03 0.00 -0.16 0.00 0.00 28.75 28.81 1uhs h GLU 44 CO -0.01 -0.32 0.32 1.96 -1.18 0.00 0.00 179.01 179.77 1uhs h GLN 45 N -0.73 0.76 -0.18 1.92 4.20 -1.89 -2.14 115.11 117.05 1uhs h GLN 45 Ca -0.06 -0.08 -0.03 0.00 0.06 0.00 0.00 58.65 58.54 1uhs h GLN 45 Cb 0.53 -0.15 -0.01 0.00 0.30 0.00 0.00 27.48 28.14 1uhs h GLN 45 CO 0.10 0.57 -0.02 1.15 -0.67 0.00 0.00 178.83 179.96 1uhs h THR 46 N 0.74 1.13 -0.51 -0.54 2.02 -1.26 -1.78 112.91 112.72 1uhs h THR 46 Ca 0.20 -0.51 -0.12 0.00 0.77 0.00 0.00 66.41 66.74 1uhs h THR 46 Cb 0.02 1.02 -0.02 0.00 -1.74 0.00 0.00 68.15 67.43 1uhs h THR 46 CO -0.03 0.17 -0.17 -0.61 0.37 0.00 0.00 175.52 175.24 1uhs h GLN 47 N 0.26 1.00 -0.10 6.66 4.15 -0.27 -2.43 115.11 124.39 1uhs h GLN 47 Ca 0.06 -0.40 -0.14 0.00 0.77 0.00 0.00 58.65 58.94 1uhs h GLN 47 Cb 0.21 -0.05 -0.01 0.00 0.21 0.00 0.00 27.48 27.84 1uhs h GLN 47 CO 0.01 1.09 -0.54 0.87 -1.93 0.00 0.00 178.83 178.32 1uhs h LYS 48 N 0.88 0.28 -0.34 1.69 1.79 -0.95 -2.48 116.57 117.44 1uhs h LYS 48 Ca 0.12 -0.17 -0.05 0.00 -2.18 0.00 0.00 60.65 58.37 1uhs h LYS 48 Cb 0.75 0.02 -0.01 0.00 -1.58 0.00 0.00 32.23 31.40 1uhs h LYS 48 CO 0.06 0.75 0.03 2.35 -1.08 0.00 0.00 179.45 181.56 1uhs h TRP 49 N 0.22 0.62 -0.10 -1.35 7.01 -1.18 0.43 115.95 121.59 1uhs h TRP 49 Ca 0.00 -0.10 -0.09 0.00 2.11 0.00 0.00 58.89 60.82 1uhs h TRP 49 Cb 1.02 -0.17 -0.01 0.00 -2.10 0.00 0.00 29.16 27.90 1uhs h TRP 49 CO 0.02 0.66 -0.34 0.74 -2.79 0.00 0.00 178.44 176.73 1uhs h PHE 50 N 0.40 0.23 0.13 2.65 -1.00 -1.41 0.15 116.94 118.09 1uhs h PHE 50 Ca 0.10 -0.05 -0.21 0.00 2.81 0.00 0.00 57.97 60.61 1uhs h PHE 50 Cb 0.39 -0.06 0.02 0.00 3.61 0.00 0.00 35.95 39.92 1uhs h PHE 50 CO 0.03 0.53 -0.92 -0.22 -1.61 0.00 0.00 178.31 176.12 1uhs h LYS 51 N 0.18 0.39 -0.30 1.51 3.11 -1.23 -2.13 116.57 118.09 1uhs h LYS 51 Ca 0.02 -0.60 -0.15 0.00 -2.81 0.00 0.00 60.65 57.12 1uhs h LYS 51 Cb 0.70 0.21 -0.01 0.00 -1.00 0.00 0.00 32.23 32.13 1uhs h LYS 51 CO 0.05 1.26 -0.41 1.96 -2.81 0.00 0.00 179.45 179.51 1uhs h GLN 52 N -0.19 0.75 -0.12 1.90 4.20 -0.09 -2.95 115.11 118.61 1uhs h GLN 52 Ca -0.15 -0.39 -0.17 0.00 0.06 0.00 0.00 58.65 57.99 1uhs h GLN 52 Cb 1.69 0.01 -0.01 0.00 0.30 0.00 0.00 27.48 29.48 1uhs h GLN 52 CO 0.17 1.02 -0.65 -0.09 -0.67 0.00 0.00 178.83 178.61 1uhs h ARG 53 N 0.61 0.46 -0.04 1.46 9.65 -0.81 -3.05 114.38 122.65 1uhs h ARG 53 Ca 0.05 -0.34 -0.03 0.00 -1.10 0.00 0.00 59.98 58.56 1uhs h ARG 53 Cb 0.96 0.06 -0.01 0.00 -1.39 0.00 0.00 29.97 29.59 1uhs h ARG 53 CO 0.09 0.96 -0.10 -0.07 2.80 0.00 0.00 179.97 183.65 1uhs h LEU 54 N 0.33 0.05 -1.99 3.80 3.38 -1.30 -1.76 115.31 117.83 1uhs h LEU 54 Ca -0.02 -0.01 0.04 0.00 0.09 0.00 0.00 57.88 57.99 1uhs h LEU 54 Cb 1.21 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.94 1uhs h LEU 54 CO 0.12 0.17 0.12 0.00 0.09 0.00 0.00 178.44 178.93 1uhs h ALA 55 N 1.84 2.13 0.09 1.53 0.00 -1.40 0.11 119.26 123.56 1uhs h ALA 55 Ca 0.01 -0.01 -0.35 0.00 0.00 0.00 0.00 54.91 54.57 1uhs h ALA 55 Cb 0.22 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 17.99 1uhs h ALA 55 CO 0.01 -0.17 -1.93 0.39 0.00 0.00 0.00 179.25 177.55 1uhs n GLU 56 N -4.49 0.71 0.02 0.00 1.02 -0.73 -3.60 120.64 113.57 1uhs n GLU 56 Ca 0.01 0.31 0.05 0.00 -0.02 0.00 0.00 57.16 57.51 1uhs n GLU 56 Cb 0.23 -1.69 0.45 0.00 -0.02 0.00 0.00 31.44 30.41 1uhs n GLU 56 CO 0.00 0.00 0.00 2.35 1.18 0.00 0.00 177.13 180.66 1uhs h TRP 57 N -0.16 0.46 -0.03 -0.32 7.01 -1.06 0.76 115.95 122.61 1uhs h TRP 57 Ca -0.43 0.01 -0.02 0.00 2.11 0.00 0.00 58.89 60.56 1uhs h TRP 57 Cb 1.88 -0.16 -0.00 0.00 -2.10 0.00 0.00 29.16 28.78 1uhs h TRP 57 CO 0.07 0.28 -0.05 0.00 -2.79 0.00 0.00 178.44 175.96 1uhs h ARG 58 N 0.49 0.08 -0.04 2.65 3.08 -1.14 0.16 114.38 119.66 1uhs h ARG 58 Ca 0.15 -0.05 -0.14 0.00 0.07 0.00 0.00 59.98 60.01 1uhs h ARG 58 Cb -0.01 0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.03 1uhs h ARG 58 CO -0.03 0.61 -0.60 0.00 -1.07 0.00 0.00 179.97 178.87 1uhs h ARG 59 N -0.45 0.13 -0.12 0.04 3.08 -1.54 -2.19 114.38 113.35 1uhs h ARG 59 Ca 0.00 -0.09 -0.23 0.00 0.07 0.00 0.00 59.98 59.73 1uhs h ARG 59 Cb 0.61 0.01 0.01 0.00 0.08 0.00 0.00 29.97 30.68 1uhs h ARG 59 CO 0.01 0.70 -0.84 0.77 -1.07 0.00 0.00 179.97 179.54 1uhs h SER 60 N 0.10 0.93 0.38 7.04 0.02 0.52 -3.19 113.55 119.34 1uhs h SER 60 Ca -0.01 -0.64 -0.11 0.00 -0.84 0.00 0.00 61.79 60.20 1uhs h SER 60 Cb 1.09 -0.28 -0.01 0.00 0.14 0.00 0.00 62.40 63.34 1uhs h SER 60 CO 0.09 1.44 -0.48 -0.33 -1.14 0.00 0.00 176.83 176.40 1uhs h GLU 61 N 0.50 0.12 0.00 3.45 4.39 -0.92 -3.47 114.58 118.65 1uhs h GLU 61 Ca -0.07 -0.06 0.00 0.00 0.34 0.00 0.00 59.36 59.57 1uhs h GLU 61 Cb 1.47 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.12 1uhs h GLU 61 CO 0.17 0.58 0.00 0.41 -1.16 0.00 0.00 179.01 179.01 1uhs n GLY 62 N -0.08 1.00 3.74 -3.84 0.00 -0.84 -5.06 105.19 100.10 1uhs n GLY 62 Ca -0.02 -0.54 -0.40 0.00 0.00 0.00 0.00 46.02 45.06 1uhs n GLY 62 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1uhs s LEU 63 N 0.00 4.40 0.00 0.99 2.96 -1.08 -5.07 118.68 120.88 1uhs s LEU 63 Ca 0.00 1.36 -0.04 0.00 -0.22 0.00 0.00 54.13 55.23 1uhs s LEU 63 Cb 0.00 -3.18 0.06 0.00 0.50 0.00 0.00 46.19 43.57 1uhs s LEU 63 CO 0.00 -0.03 0.29 -0.81 -1.32 0.00 0.00 176.35 174.48 1uhs n PRO 64 N 3.15 -0.96 -4.74 0.98 -0.04 -1.26 -4.84 135.00 127.30 1uhs n PRO 64 Ca -0.02 -0.45 -0.28 0.00 -0.04 0.00 0.00 63.50 62.71 1uhs n PRO 64 Cb 0.51 -0.36 -0.17 0.00 -0.04 0.00 0.00 33.50 33.44 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 -2.19 2.30 -0.05 3.54 0.15 -1.26 -5.00 113.70 111.18 1uhs s SER 65 Ca 0.17 -0.40 -0.00 0.00 0.70 0.00 0.00 55.95 56.42 1uhs s SER 65 Cb -0.01 -1.05 -0.03 0.00 -1.71 0.00 0.00 66.02 63.22 1uhs s SER 65 CO 0.13 0.06 -0.05 1.21 1.20 0.00 0.00 173.24 175.79 1uhs n GLU 66 N 3.82 0.12 -2.47 5.44 2.13 -1.26 -5.12 120.64 123.31 1uhs n GLU 66 Ca -0.21 0.04 -0.04 0.00 0.66 0.00 0.00 57.16 57.61 1uhs n GLU 66 Cb 0.52 -0.99 -0.03 0.00 0.27 0.00 0.00 31.44 31.21 1uhs n GLU 66 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1uhs n ARG 68 N 1.72 0.50 -2.77 0.00 0.63 -1.26 -5.00 116.66 110.48 1uhs n ARG 68 Ca -0.26 0.35 -0.26 0.00 -0.92 0.00 0.00 57.85 56.76 1uhs n ARG 68 Cb 0.40 -1.54 0.00 0.00 0.45 0.00 0.00 32.46 31.77 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 -5.95 6.10 -0.14 6.15 0.01 -1.26 -5.03 113.70 113.58 1uhs s SER 69 Ca -0.24 0.72 -0.05 0.00 1.31 0.00 0.00 55.95 57.69 1uhs s SER 69 Cb 0.04 -2.02 -0.25 0.00 0.21 0.00 0.00 66.02 64.00 1uhs s SER 69 CO 0.36 -0.63 0.29 0.52 0.41 0.00 0.00 173.24 174.19 1uhs n VAL 70 N -2.21 1.74 -2.94 3.43 0.31 -1.26 -4.92 118.33 112.49 1uhs n VAL 70 Ca 0.00 -0.65 -0.37 0.00 -0.01 0.00 0.00 64.34 63.31 1uhs n VAL 70 Cb 0.56 -1.68 -0.06 0.00 -0.91 0.00 0.00 33.84 31.75 1uhs n VAL 70 CO 0.00 0.00 0.00 -0.89 -1.32 0.00 0.00 176.83 174.62 1uhs s THR 71 N -2.55 4.37 0.00 2.52 2.01 -1.26 -5.25 115.64 115.48 1uhs s THR 71 Ca -0.24 1.61 0.00 0.00 0.31 0.00 0.00 61.69 63.37 1uhs s THR 71 Cb 0.07 -3.99 0.00 0.00 0.01 0.00 0.00 72.50 68.59 1uhs s THR 71 CO 0.75 0.25 0.25 0.47 -0.69 0.00 0.00 174.62 175.66