#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1uhs h SER 2 N 0.00 0.12 -2.84 1.61 0.02 -2.06 -3.47 113.55 106.93 1uhs h SER 2 Ca 0.00 -0.12 -0.39 0.00 -0.84 0.00 0.00 61.79 60.44 1uhs h SER 2 Cb 0.00 -0.04 -0.02 0.00 0.14 0.00 0.00 62.40 62.49 1uhs h SER 2 CO 0.00 1.06 -0.51 -0.62 -1.14 0.00 0.00 176.83 175.62 1uhs n GLU 3 N -3.44 -1.65 -0.02 3.45 1.02 -1.26 -4.90 120.64 113.83 1uhs n GLU 3 Ca -0.02 0.95 -0.17 0.00 -0.02 0.00 0.00 57.16 57.90 1uhs n GLU 3 Cb 0.93 -5.54 -0.14 0.00 -0.02 0.00 0.00 31.44 26.67 1uhs n GLU 3 CO 0.00 0.00 0.00 0.78 1.18 0.00 0.00 177.13 179.09 1uhs h GLY 4 N -0.04 0.16 -1.28 0.62 0.00 -2.03 -3.47 103.07 97.03 1uhs h GLY 4 Ca -0.47 -0.40 -0.42 0.00 0.00 0.00 0.00 47.33 46.04 1uhs h GLY 4 CO 0.55 0.35 0.06 0.00 0.00 0.00 0.00 176.54 177.50 1uhs n ALA 5 N -2.66 0.42 -1.54 3.60 0.00 -1.26 -4.99 120.51 114.07 1uhs n ALA 5 Ca -0.12 -1.81 -0.28 0.00 0.00 0.00 0.00 53.44 51.22 1uhs n ALA 5 Cb 0.64 0.35 -0.05 0.00 0.00 0.00 0.00 19.45 20.40 1uhs n ALA 5 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1uhs n ALA 6 N -2.78 6.47 -2.72 0.00 0.00 -1.26 -4.82 120.51 115.40 1uhs n ALA 6 Ca -0.14 -3.17 -0.03 0.00 0.00 0.00 0.00 53.44 50.09 1uhs n ALA 6 Cb 0.54 -2.16 0.00 0.00 0.00 0.00 0.00 19.45 17.84 1uhs n ALA 6 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 1uhs n THR 7 N 0.78-11.24 -2.54 0.00 -1.04 -1.26 -5.00 114.28 93.98 1uhs n THR 7 Ca 0.50 1.38 -0.29 0.00 -2.04 0.00 0.00 64.05 63.59 1uhs n THR 7 Cb 0.52 -6.97 -0.01 0.00 -1.82 0.00 0.00 70.33 62.05 1uhs n THR 7 CO 0.00 0.00 0.00 -0.04 -0.64 0.00 0.00 175.07 174.39 1uhs s MET 8 N -1.99 3.63 0.55 -2.82 -1.94 -1.26 -5.09 119.30 110.39 1uhs s MET 8 Ca 0.10 0.40 0.01 0.00 -1.71 0.00 0.00 55.69 54.50 1uhs s MET 8 Cb -0.03 -2.31 0.04 0.00 2.01 0.00 0.00 34.83 34.53 1uhs s MET 8 CO 0.74 -0.23 0.78 0.95 -0.01 0.00 0.00 175.02 177.25 1uhs s THR 9 N -2.72 2.65 0.42 2.05 -4.23 -1.26 -4.95 115.64 107.60 1uhs s THR 9 Ca 0.50 -0.66 0.09 0.00 -1.18 0.00 0.00 61.69 60.44 1uhs s THR 9 Cb -0.10 -2.99 0.23 0.00 1.34 0.00 0.00 72.50 70.98 1uhs s THR 9 CO 0.43 0.00 2.03 -0.33 -0.54 0.00 0.00 174.62 176.20 1uhs h GLU 10 N 0.06 0.38 -0.65 3.99 5.08 -1.98 -1.85 114.58 119.60 1uhs h GLU 10 Ca -0.42 -0.04 0.01 0.00 -1.00 0.00 0.00 59.36 57.91 1uhs h GLU 10 Cb 1.30 -0.08 -0.03 0.00 0.50 0.00 0.00 28.75 30.44 1uhs h GLU 10 CO 0.52 0.32 0.43 -0.44 -1.00 0.00 0.00 179.01 178.83 1uhs h ASP 11 N 0.38 0.75 0.01 1.42 3.32 -1.98 0.46 116.42 120.77 1uhs h ASP 11 Ca 0.10 -0.02 -0.00 0.00 0.02 0.00 0.00 57.03 57.12 1uhs h ASP 11 Cb 0.08 -0.19 0.00 0.00 0.22 0.00 0.00 39.33 39.44 1uhs h ASP 11 CO -0.01 0.55 -0.00 1.56 -1.72 0.00 0.00 179.24 179.61 1uhs h GLN 12 N 0.88 -0.01 -0.68 3.56 4.20 -1.70 -3.21 115.11 118.15 1uhs h GLN 12 Ca 0.24 0.00 -0.03 0.00 0.06 0.00 0.00 58.65 58.92 1uhs h GLN 12 Cb -0.09 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 27.66 1uhs h GLN 12 CO -0.05 0.77 0.31 0.28 -0.67 0.00 0.00 178.83 179.47 1uhs h VAL 13 N -0.83 1.22 -0.19 -0.54 2.07 -1.26 0.15 116.25 116.87 1uhs h VAL 13 Ca -0.00 -0.66 0.03 0.00 0.82 0.00 0.00 66.70 66.90 1uhs h VAL 13 Cb 0.79 0.37 -0.01 0.00 -1.52 0.00 0.00 31.29 30.92 1uhs h VAL 13 CO 0.00 0.27 0.13 -0.33 0.02 0.00 0.00 177.57 177.67 1uhs h GLU 14 N 0.97 0.10 0.06 1.57 5.08 -0.18 0.71 114.58 122.89 1uhs h GLU 14 Ca 0.23 -0.01 -0.35 0.00 -1.00 0.00 0.00 59.36 58.24 1uhs h GLU 14 Cb 0.13 -0.02 -0.04 0.00 0.50 0.00 0.00 28.75 29.32 1uhs h GLU 14 CO -0.03 0.07 -1.99 -0.89 -1.00 0.00 0.00 179.01 175.18 1uhs n ILE 15 N -4.50 1.67 0.19 3.13 5.41 -0.79 -3.24 119.36 121.23 1uhs n ILE 15 Ca 0.01 -0.71 0.03 0.00 1.00 0.00 0.00 62.75 63.08 1uhs n ILE 15 Cb 0.19 -1.39 0.39 0.00 -0.71 0.00 0.00 39.64 38.12 1uhs n ILE 15 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 176.55 176.48 1uhs h LEU 16 N 0.04 0.03 0.02 1.39 3.38 -0.29 -2.58 115.31 117.29 1uhs h LEU 16 Ca -0.41 -0.01 -0.25 0.00 0.09 0.00 0.00 57.88 57.31 1uhs h LEU 16 Cb 2.03 -0.01 -0.03 0.00 0.09 0.00 0.00 40.66 42.74 1uhs h LEU 16 CO 0.06 0.34 -1.27 -0.33 0.09 0.00 0.00 178.44 177.34 1uhs h GLU 17 N 0.02 0.03 -0.12 1.13 5.08 -1.03 -3.30 114.58 116.40 1uhs h GLU 17 Ca 0.00 -0.06 -0.08 0.00 -1.00 0.00 0.00 59.36 58.22 1uhs h GLU 17 Cb 0.57 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.83 1uhs h GLU 17 CO 0.04 0.87 -0.28 -0.92 -1.00 0.00 0.00 179.01 177.72 1uhs h TYR 18 N 0.01 0.25 -0.57 4.33 5.03 -1.46 -2.37 116.97 122.19 1uhs h TYR 18 Ca -0.12 -0.05 -0.13 0.00 2.58 0.00 0.00 58.73 61.01 1uhs h TYR 18 Cb 1.87 -0.06 -0.08 0.00 1.55 0.00 0.00 36.73 40.01 1uhs h TYR 18 CO 0.01 0.50 0.17 0.09 -1.32 0.00 0.00 178.16 177.60 1uhs n ASN 19 N -4.14 4.42 0.00 -2.11 3.02 -1.00 -2.90 115.26 112.55 1uhs n ASN 19 Ca -0.01 -2.92 0.00 0.00 -0.03 0.00 0.00 54.58 51.62 1uhs n ASN 19 Cb 0.38 -0.69 0.00 0.00 -0.61 0.00 0.00 39.78 38.86 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 0.08 0.00 -0.02 3.10 7.35 -0.90 -3.58 117.46 123.48 1uhs n PHE 20 Ca 0.31 0.00 -0.03 0.00 -0.76 0.00 0.00 57.45 56.97 1uhs n PHE 20 Cb 1.15 0.00 -0.02 0.00 0.35 0.00 0.00 39.48 40.96 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 -1.76 3.78 0.09 -2.13 3.02 -1.18 -3.92 115.26 113.16 1uhs n ASN 21 Ca 0.00 -0.02 -0.23 0.00 -0.03 0.00 0.00 54.58 54.30 1uhs n ASN 21 Cb 0.26 0.12 -0.15 0.00 -0.61 0.00 0.00 39.78 39.40 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 0.43 0.00 3.52 6.56 -1.78 -3.42 116.57 121.88 1uhs h LYS 22 Ca -0.10 -0.74 0.00 0.00 -1.06 0.00 0.00 60.65 58.75 1uhs h LYS 22 Cb 1.18 0.27 0.00 0.00 -0.57 0.00 0.00 32.23 33.11 1uhs h LYS 22 CO -0.01 1.35 0.00 0.28 -2.06 0.00 0.00 179.45 179.01 1uhs n VAL 23 N -3.62 0.00 -3.59 0.50 0.31 -1.23 -5.05 118.33 105.64 1uhs n VAL 23 Ca -0.22 0.41 0.03 0.00 -0.01 0.00 0.00 64.34 64.54 1uhs n VAL 23 Cb 1.08 -1.31 -0.00 0.00 -0.91 0.00 0.00 33.84 32.70 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 -3.01 -0.03 -0.20 4.52 2.20 -1.23 -4.99 114.94 112.21 1uhs s ASN 24 Ca 0.00 -0.06 0.07 0.00 -0.94 0.00 0.00 52.86 51.93 1uhs s ASN 24 Cb 0.00 0.07 -0.17 0.00 -2.00 0.00 0.00 41.25 39.15 1uhs s ASN 24 CO 0.00 -0.14 -0.10 0.29 -2.94 0.00 0.00 177.10 174.22 1uhs n LYS 25 N -0.51 0.80 -3.20 3.55 4.01 -1.25 -3.62 118.16 117.93 1uhs n LYS 25 Ca -0.09 0.07 -0.29 0.00 -0.51 0.00 0.00 58.31 57.50 1uhs n LYS 25 Cb 0.63 -1.44 -0.06 0.00 -0.51 0.00 0.00 35.03 33.66 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 -2.95 3.68 -0.64 2.13 8.25 -1.26 -4.92 115.22 119.51 1uhs n HIS 26 Ca -0.35 -3.95 -0.01 0.00 -0.26 0.00 0.00 57.72 53.16 1uhs n HIS 26 Cb 0.97 -0.60 0.01 0.00 1.12 0.00 0.00 29.99 31.48 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 0.47 -0.83 -4.43 -0.41 -0.04 -1.26 -5.10 135.00 123.41 1uhs n PRO 27 Ca 0.31 -0.06 -0.27 0.00 -0.04 0.00 0.00 63.50 63.44 1uhs n PRO 27 Cb 0.39 -0.05 -0.10 0.00 -0.04 0.00 0.00 33.50 33.71 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 -1.49 4.09 0.58 3.54 1.01 -1.26 -4.99 116.67 118.16 1uhs s ASP 28 Ca 0.02 -1.25 0.28 0.00 0.71 0.00 0.00 52.55 52.31 1uhs s ASP 28 Cb -0.00 -0.43 1.55 0.00 1.01 0.00 0.00 42.92 45.05 1uhs s ASP 28 CO 0.02 -0.49 2.01 -0.65 0.21 0.00 0.00 175.17 176.27 1uhs h PRO 29 N 1.63 0.00 -0.17 8.23 0.11 -1.98 0.93 132.00 140.75 1uhs h PRO 29 Ca -0.44 0.00 -0.11 0.00 0.11 0.00 0.00 66.00 65.57 1uhs h PRO 29 Cb 1.24 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.34 1uhs h PRO 29 CO 0.77 0.00 -0.37 1.15 -0.21 0.00 0.00 178.00 179.34 1uhs h THR 30 N 0.00 1.29 0.11 -1.15 2.02 -2.01 -2.44 112.91 110.74 1uhs h THR 30 Ca 0.15 -1.46 -0.33 0.00 0.77 0.00 0.00 66.41 65.55 1uhs h THR 30 Cb 0.80 1.57 -0.01 0.00 -1.74 0.00 0.00 68.15 68.77 1uhs h THR 30 CO -0.00 0.45 -1.72 0.74 0.37 0.00 0.00 175.52 175.35 1uhs h THR 31 N 0.31 0.92 -0.14 3.16 2.02 -1.28 -3.34 112.91 114.56 1uhs h THR 31 Ca 0.03 -2.61 -0.01 0.00 0.77 0.00 0.00 66.41 64.59 1uhs h THR 31 Cb 0.79 2.63 -0.01 0.00 -1.74 0.00 0.00 68.15 69.83 1uhs h THR 31 CO 0.06 0.79 0.03 0.25 0.37 0.00 0.00 175.52 177.03 1uhs h LEU 32 N 0.06 0.17 -0.85 2.58 5.85 -1.11 -1.96 115.31 120.06 1uhs h LEU 32 Ca -0.31 -0.01 -0.07 0.00 0.84 0.00 0.00 57.88 58.33 1uhs h LEU 32 Cb 2.03 -0.04 -0.03 0.00 0.37 0.00 0.00 40.66 42.99 1uhs h LEU 32 CO 0.13 0.18 0.11 0.00 -0.34 0.00 0.00 178.44 178.53 1uhs h LEU 34 N 0.92 0.20 -0.23 0.00 3.38 -1.50 -2.95 115.31 115.13 1uhs h LEU 34 Ca 0.19 -0.09 -0.22 0.00 0.09 0.00 0.00 57.88 57.86 1uhs h LEU 34 Cb 0.38 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.08 1uhs h LEU 34 CO 0.01 0.62 -0.85 0.40 0.09 0.00 0.00 178.44 178.70 1uhs h ILE 35 N 0.16 1.36 -0.07 1.22 2.04 -1.17 -1.82 117.51 119.23 1uhs h ILE 35 Ca 0.01 -2.25 -0.04 0.00 1.00 0.00 0.00 64.86 63.58 1uhs h ILE 35 Cb 0.85 2.24 -0.01 0.00 -0.74 0.00 0.00 36.82 39.17 1uhs h ILE 35 CO 0.07 0.68 -0.14 0.00 0.00 0.00 0.00 178.15 178.76 1uhs h ALA 36 N 0.75 1.64 0.16 1.87 0.00 -1.10 -1.93 119.26 120.65 1uhs h ALA 36 Ca -0.06 -0.17 -0.33 0.00 0.00 0.00 0.00 54.91 54.35 1uhs h ALA 36 Cb 1.47 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.21 1uhs h ALA 36 CO 0.15 0.27 -1.67 0.00 0.00 0.00 0.00 179.25 178.00 1uhs h ALA 37 N 1.76 0.21 0.82 0.00 0.00 -1.49 0.22 119.26 120.78 1uhs h ALA 37 Ca 0.02 -1.14 -0.04 0.00 0.00 0.00 0.00 54.91 53.75 1uhs h ALA 37 Cb 0.31 0.39 0.01 0.00 0.00 0.00 0.00 17.79 18.50 1uhs h ALA 37 CO 0.02 1.08 -0.39 1.49 0.00 0.00 0.00 179.25 181.45 1uhs h GLU 38 N 0.09 -1.06 0.09 0.00 4.81 -1.10 -3.24 114.58 114.17 1uhs h GLU 38 Ca -0.31 0.07 -0.28 0.00 -0.13 0.00 0.00 59.36 58.72 1uhs h GLU 38 Cb 2.07 0.24 0.02 0.00 0.63 0.00 0.00 28.75 31.71 1uhs h GLU 38 CO 0.17 -0.70 -1.17 0.00 -0.73 0.00 0.00 179.01 176.58 1uhs h ALA 39 N -0.91 0.11 0.00 2.92 0.00 -1.54 -3.48 119.26 116.36 1uhs h ALA 39 Ca -0.11 -0.78 0.00 0.00 0.00 0.00 0.00 54.91 54.02 1uhs h ALA 39 Cb 0.84 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.69 1uhs h ALA 39 CO 0.18 0.78 0.00 0.41 0.00 0.00 0.00 179.25 180.62 1uhs n GLY 40 N 1.29 1.87 0.11 0.00 0.00 -0.45 -4.89 105.19 103.12 1uhs n GLY 40 Ca -0.11 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 45.90 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 -4.76 0.99 4.77 0.64 -4.97 117.00 113.67 1uhs n LEU 41 Ca 0.00 -0.09 -0.23 0.00 -0.03 0.00 0.00 56.01 55.66 1uhs n LEU 41 Cb 0.00 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.04 1uhs n LEU 41 CO 0.00 -0.17 -0.23 0.42 -1.33 0.00 0.00 177.39 176.08 1uhs s THR 42 N -0.45 4.09 0.29 -5.08 -4.23 -1.26 -4.40 115.64 104.59 1uhs s THR 42 Ca 0.01 -1.55 -0.01 0.00 -1.18 0.00 0.00 61.69 58.95 1uhs s THR 42 Cb -0.00 -3.19 0.27 0.00 1.34 0.00 0.00 72.50 70.92 1uhs s THR 42 CO 0.00 -0.33 1.94 -0.33 -0.54 0.00 0.00 174.62 175.36 1uhs h GLU 43 N 1.75 1.08 -0.48 3.99 3.07 -1.95 0.23 114.58 122.27 1uhs h GLU 43 Ca -0.47 -0.06 -0.07 0.00 -0.50 0.00 0.00 59.36 58.25 1uhs h GLU 43 Cb 1.24 -0.24 -0.02 0.00 -0.84 0.00 0.00 28.75 28.88 1uhs h GLU 43 CO 0.61 0.71 -0.00 1.49 -1.40 0.00 0.00 179.01 180.42 1uhs h GLU 44 N 1.11 0.80 0.01 2.33 4.81 -1.97 -0.74 114.58 120.92 1uhs h GLU 44 Ca 0.35 -0.22 -0.09 0.00 -0.13 0.00 0.00 59.36 59.27 1uhs h GLU 44 Cb 0.01 -0.09 0.01 0.00 0.63 0.00 0.00 28.75 29.31 1uhs h GLU 44 CO -0.10 0.81 -0.36 1.96 -0.73 0.00 0.00 179.01 180.58 1uhs h GLN 45 N 0.75 0.23 -0.23 1.92 4.20 -1.73 -3.02 115.11 117.23 1uhs h GLN 45 Ca 0.15 -0.26 -0.01 0.00 0.06 0.00 0.00 58.65 58.59 1uhs h GLN 45 Cb 0.45 0.08 -0.01 0.00 0.30 0.00 0.00 27.48 28.30 1uhs h GLN 45 CO 0.02 0.99 0.10 1.15 -0.67 0.00 0.00 178.83 180.42 1uhs h THR 46 N -0.41 1.09 -0.42 -0.54 2.02 -0.53 -2.22 112.91 111.90 1uhs h THR 46 Ca -0.05 -0.27 -0.11 0.00 0.77 0.00 0.00 66.41 66.75 1uhs h THR 46 Cb 1.12 0.81 -0.01 0.00 -1.74 0.00 0.00 68.15 68.33 1uhs h THR 46 CO 0.07 0.10 -0.18 -0.61 0.37 0.00 0.00 175.52 175.27 1uhs h GLN 47 N 0.32 0.87 -0.92 6.66 4.15 -1.17 -2.90 115.11 122.11 1uhs h GLN 47 Ca 0.08 -0.37 -0.00 0.00 0.77 0.00 0.00 58.65 59.13 1uhs h GLN 47 Cb 0.06 -0.03 -0.04 0.00 0.21 0.00 0.00 27.48 27.67 1uhs h GLN 47 CO -0.01 1.01 0.57 0.87 -1.93 0.00 0.00 178.83 179.35 1uhs h LYS 48 N 0.69 1.24 -0.61 1.69 1.79 -1.27 0.85 116.57 120.94 1uhs h LYS 48 Ca 0.10 -0.10 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 1uhs h LYS 48 Cb 0.74 -0.27 -0.03 0.00 -1.58 0.00 0.00 32.23 31.10 1uhs h LYS 48 CO 0.06 0.85 0.39 2.35 -1.08 0.00 0.00 179.45 182.02 1uhs h TRP 49 N 1.26 0.77 -0.20 -1.35 7.01 -1.38 0.84 115.95 122.91 1uhs h TRP 49 Ca 0.33 0.01 -0.18 0.00 2.11 0.00 0.00 58.89 61.17 1uhs h TRP 49 Cb -0.08 -0.26 -0.00 0.00 -2.10 0.00 0.00 29.16 26.71 1uhs h TRP 49 CO -0.00 0.50 -0.59 0.74 -2.79 0.00 0.00 178.44 176.29 1uhs h PHE 50 N 0.82 0.83 -0.05 2.65 -1.00 -1.25 0.16 116.94 119.10 1uhs h PHE 50 Ca 0.22 -0.31 -0.09 0.00 2.81 0.00 0.00 57.97 60.60 1uhs h PHE 50 Cb -0.08 -0.15 -0.01 0.00 3.61 0.00 0.00 35.95 39.32 1uhs h PHE 50 CO -0.03 1.08 -0.37 -0.22 -1.61 0.00 0.00 178.31 177.16 1uhs h LYS 51 N 0.49 0.10 0.07 1.51 3.11 -0.49 -0.91 116.57 120.46 1uhs h LYS 51 Ca -0.00 -0.04 -0.22 0.00 -2.81 0.00 0.00 60.65 57.58 1uhs h LYS 51 Cb 1.17 -0.00 -0.01 0.00 -1.00 0.00 0.00 32.23 32.38 1uhs h LYS 51 CO 0.12 0.47 -1.14 1.96 -2.81 0.00 0.00 179.45 178.04 1uhs h GLN 52 N 0.09 0.15 -0.01 1.90 4.20 -0.74 -3.35 115.11 117.35 1uhs h GLN 52 Ca 0.01 -0.26 -0.02 0.00 0.06 0.00 0.00 58.65 58.44 1uhs h GLN 52 Cb 0.70 0.10 -0.00 0.00 0.30 0.00 0.00 27.48 28.57 1uhs h GLN 52 CO 0.05 1.12 -0.11 -0.09 -0.67 0.00 0.00 178.83 179.13 1uhs h ARG 53 N -0.58 0.02 -0.67 1.46 9.65 -0.69 -2.16 114.38 121.41 1uhs h ARG 53 Ca -0.26 -0.00 0.03 0.00 -1.10 0.00 0.00 59.98 58.65 1uhs h ARG 53 Cb 1.53 -0.00 -0.04 0.00 -1.39 0.00 0.00 29.97 30.07 1uhs h ARG 53 CO -0.01 0.13 0.44 -0.07 2.80 0.00 0.00 179.97 183.26 1uhs h LEU 54 N 0.02 0.69 -1.62 3.80 3.38 -1.29 0.45 115.31 120.73 1uhs h LEU 54 Ca 0.00 -0.01 0.02 0.00 0.09 0.00 0.00 57.88 57.98 1uhs h LEU 54 Cb 0.21 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.78 1uhs h LEU 54 CO 0.01 0.48 0.28 0.00 0.09 0.00 0.00 178.44 179.30 1uhs h ALA 55 N 1.61 1.76 0.00 1.53 0.00 -1.53 -1.62 119.26 121.01 1uhs h ALA 55 Ca 0.26 -0.02 -0.28 0.00 0.00 0.00 0.00 54.91 54.87 1uhs h ALA 55 Cb 0.06 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 17.66 1uhs h ALA 55 CO -0.07 0.20 -1.57 0.93 0.00 0.00 0.00 179.25 178.74 1uhs h GLU 56 N 0.51 0.01 -0.60 0.00 4.39 -1.35 -3.36 114.58 114.18 1uhs h GLU 56 Ca 0.16 -0.02 -0.03 0.00 0.34 0.00 0.00 59.36 59.81 1uhs h GLU 56 Cb 0.02 0.01 -0.03 0.00 -0.10 0.00 0.00 28.75 28.65 1uhs h GLU 56 CO -0.04 0.61 0.25 2.35 -1.16 0.00 0.00 179.01 181.03 1uhs h TRP 57 N 0.00 0.90 -0.04 4.33 7.01 -0.36 -2.22 115.95 125.58 1uhs h TRP 57 Ca -0.23 -0.06 0.01 0.00 2.11 0.00 0.00 58.89 60.72 1uhs h TRP 57 Cb 1.97 -0.27 -0.00 0.00 -2.10 0.00 0.00 29.16 28.75 1uhs h TRP 57 CO 0.00 0.71 0.03 0.00 -2.79 0.00 0.00 178.44 176.40 1uhs h ARG 58 N 0.83 0.00 0.02 2.65 3.08 -1.46 -0.56 114.38 118.94 1uhs h ARG 58 Ca 0.20 0.00 -0.23 0.00 0.07 0.00 0.00 59.98 60.02 1uhs h ARG 58 Cb 0.18 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.24 1uhs h ARG 58 CO -0.02 0.00 -0.98 0.00 -1.07 0.00 0.00 179.97 177.90 1uhs h ARG 59 N 0.00 0.37 0.00 0.04 3.08 -1.56 -1.45 114.38 114.86 1uhs h ARG 59 Ca 0.02 -0.43 0.00 0.00 0.07 0.00 0.00 59.98 59.64 1uhs h ARG 59 Cb 0.08 0.13 0.00 0.00 0.08 0.00 0.00 29.97 30.26 1uhs h ARG 59 CO -0.00 1.11 0.00 -1.13 -1.07 0.00 0.00 179.97 178.88 1uhs n SER 60 N -3.71 0.00 -0.09 7.04 3.41 -0.63 -4.28 113.62 115.36 1uhs n SER 60 Ca -0.07 0.60 -0.08 0.00 -0.26 0.00 0.00 58.87 59.06 1uhs n SER 60 Cb 0.86 -0.48 -0.01 0.00 -0.26 0.00 0.00 64.21 64.33 1uhs n SER 60 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 1uhs h GLU 61 N 0.00 0.35 -0.23 4.33 4.39 -1.33 -3.49 114.58 118.60 1uhs h GLU 61 Ca 0.00 -0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.68 1uhs h GLU 61 Cb 0.00 -0.08 0.00 0.00 -0.10 0.00 0.00 28.75 28.57 1uhs h GLU 61 CO 0.00 0.23 0.00 0.41 -1.16 0.00 0.00 179.01 178.49 1uhs n GLY 62 N -1.19 -2.38 3.32 -3.84 0.00 -0.55 -5.07 105.19 95.48 1uhs n GLY 62 Ca -0.01 -1.00 -0.17 0.00 0.00 0.00 0.00 46.02 44.85 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 -0.56 2.26 0.00 0.99 1.02 -1.25 -5.04 118.68 116.09 1uhs s LEU 63 Ca 0.00 -1.18 -0.02 0.00 0.02 0.00 0.00 54.13 52.95 1uhs s LEU 63 Cb 0.00 -0.30 0.03 0.00 0.02 0.00 0.00 46.19 45.94 1uhs s LEU 63 CO 0.00 -0.47 0.09 -0.81 0.02 0.00 0.00 176.35 175.18 1uhs n PRO 64 N -0.38 -1.15 -2.50 1.29 -0.04 -1.26 -4.86 135.00 126.09 1uhs n PRO 64 Ca -0.06 -0.15 -0.04 0.00 -0.04 0.00 0.00 63.50 63.21 1uhs n PRO 64 Cb 0.63 -0.14 -0.03 0.00 -0.04 0.00 0.00 33.50 33.92 1uhs n PRO 64 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1uhs n SER 65 N -3.15 -3.60 -0.04 3.54 2.88 -1.26 -4.96 113.62 107.02 1uhs n SER 65 Ca 0.01 1.53 -0.11 0.00 -1.33 0.00 0.00 58.87 58.98 1uhs n SER 65 Cb 0.05 -5.25 -0.14 0.00 -0.75 0.00 0.00 64.21 58.12 1uhs n SER 65 CO 0.00 0.00 0.00 1.21 -1.23 0.00 0.00 175.04 175.02 1uhs n GLU 66 N 1.75 0.66 -2.15 -1.46 4.07 -1.26 -4.94 120.64 117.31 1uhs n GLU 66 Ca -0.28 0.22 -0.29 0.00 -0.06 0.00 0.00 57.16 56.75 1uhs n GLU 66 Cb 0.43 -1.71 0.02 0.00 -0.06 0.00 0.00 31.44 30.12 1uhs n GLU 66 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1uhs n ARG 68 N -2.67 0.00 -3.26 0.00 0.63 -1.26 -5.14 116.66 104.97 1uhs n ARG 68 Ca 0.05 0.00 -0.21 0.00 -0.92 0.00 0.00 57.85 56.77 1uhs n ARG 68 Cb 0.56 -0.01 0.02 0.00 0.45 0.00 0.00 32.46 33.48 1uhs n ARG 68 CO 0.00 0.00 0.00 0.43 -2.51 0.00 0.00 177.63 175.55 1uhs n SER 69 N -3.49 2.30 -4.40 6.15 7.64 -1.26 -5.11 113.62 115.45 1uhs n SER 69 Ca 0.00 -2.53 -0.37 0.00 1.01 0.00 0.00 58.87 56.98 1uhs n SER 69 Cb 0.00 -0.13 -0.12 0.00 -1.01 0.00 0.00 64.21 62.95 1uhs n SER 69 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 1uhs s VAL 70 N -2.25 4.21 0.49 0.44 1.01 -1.26 -5.09 120.40 117.95 1uhs s VAL 70 Ca 0.34 -0.43 -0.18 0.00 0.00 0.00 0.00 61.98 61.70 1uhs s VAL 70 Cb -0.03 -3.08 -0.08 0.00 0.00 0.00 0.00 36.38 33.19 1uhs s VAL 70 CO 0.21 0.19 0.99 -0.89 0.00 0.00 0.00 175.10 175.61 1uhs s THR 71 N 1.57 4.25 -2.24 3.92 2.01 -1.26 -5.33 115.64 118.56 1uhs s THR 71 Ca 0.05 1.23 0.30 0.00 0.31 0.00 0.00 61.69 63.58 1uhs s THR 71 Cb -0.16 -3.58 0.74 0.00 0.01 0.00 0.00 72.50 69.50 1uhs s THR 71 CO 0.03 -0.47 2.00 0.47 -0.69 0.00 0.00 174.62 175.97