#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2guk n THR 5 N 0.00 1.12 -4.14 -0.39 5.66 -1.26 -4.98 114.28 110.30 2guk n THR 5 Ca 0.00 -0.89 -0.25 0.00 -3.05 0.00 0.00 64.05 59.86 2guk n THR 5 Cb 0.00 0.26 -0.06 0.00 -1.55 0.00 0.00 70.33 68.99 2guk n THR 5 CO 0.00 0.00 0.00 -0.76 -3.05 0.00 0.00 175.07 171.26 2guk s LEU 6 N -1.26 3.65 0.91 1.09 1.02 -1.26 -5.11 118.68 117.72 2guk s LEU 6 Ca 0.42 -0.26 -0.12 0.00 0.02 0.00 0.00 54.13 54.19 2guk s LEU 6 Cb 0.24 -2.24 0.14 0.00 0.02 0.00 0.00 46.19 44.35 2guk s LEU 6 CO 0.25 0.04 1.09 0.54 0.02 0.00 0.00 176.35 178.29 2guk s ASN 7 N -3.31 3.39 0.34 2.29 2.20 -1.26 -4.67 114.94 113.92 2guk s ASN 7 Ca 0.31 1.41 0.02 0.00 -0.94 0.00 0.00 52.86 53.65 2guk s ASN 7 Cb -0.09 -2.08 0.62 0.00 -2.00 0.00 0.00 41.25 37.69 2guk s ASN 7 CO 0.22 -2.68 2.00 0.77 -2.94 0.00 0.00 177.10 174.48 2guk h SER 8 N -1.58 0.76 -0.23 3.54 4.64 -1.99 -0.38 113.55 118.31 2guk h SER 8 Ca -0.50 -0.02 0.02 0.00 -0.47 0.00 0.00 61.79 60.82 2guk h SER 8 Cb 1.29 -0.19 -0.02 0.00 -0.31 0.00 0.00 62.40 63.17 2guk h SER 8 CO 0.56 0.54 0.09 0.44 -0.87 0.00 0.00 176.83 177.59 2guk h ASP 9 N 0.89 0.10 0.70 4.97 3.32 -1.97 -1.45 116.42 122.98 2guk h ASP 9 Ca 0.25 0.02 -0.09 0.00 0.02 0.00 0.00 57.03 57.23 2guk h ASP 9 Cb -0.07 0.01 -0.01 0.00 0.22 0.00 0.00 39.33 39.47 2guk h ASP 9 CO -0.06 0.09 -0.45 -0.07 -1.72 0.00 0.00 179.24 177.04 2guk h LEU 10 N 0.20 0.00 -0.53 1.55 3.38 -1.71 0.17 115.31 118.37 2guk h LEU 10 Ca 0.10 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 57.93 2guk h LEU 10 Cb 0.06 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.80 2guk h LEU 10 CO -0.10 0.45 -0.35 0.03 0.09 0.00 0.00 178.44 178.56 2guk h ARG 11 N 0.00 0.81 -0.10 1.13 3.08 -0.83 -3.07 114.38 115.40 2guk h ARG 11 Ca -0.00 -0.40 -0.07 0.00 0.07 0.00 0.00 59.98 59.58 2guk h ARG 11 Cb 0.92 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.97 2guk h ARG 11 CO 0.06 1.03 -0.19 0.28 -1.07 0.00 0.00 179.97 180.08 2guk h VAL 12 N 0.67 1.40 0.00 2.04 2.07 -1.00 0.78 116.25 122.22 2guk h VAL 12 Ca 0.06 -1.49 0.00 0.00 0.82 0.00 0.00 66.70 66.10 2guk h VAL 12 Cb 0.91 2.13 0.00 0.00 -1.52 0.00 0.00 31.29 32.81 2guk h VAL 12 CO 0.08 0.43 0.00 0.33 0.02 0.00 0.00 177.57 178.43 2guk n PHE 13 N -4.54 0.00 0.00 1.57 -0.00 0.57 0.06 117.46 115.12 2guk n PHE 13 Ca -0.07 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.38 2guk n PHE 13 Cb 0.41 0.00 0.00 0.00 -0.00 0.00 0.00 39.48 39.89 2guk n PHE 13 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.76 178.34 2guk n HIS 15 N 0.11 0.00 -0.06 -5.13 -0.00 0.27 -1.38 115.22 109.03 2guk n HIS 15 Ca 0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 57.72 57.70 2guk n HIS 15 Cb 0.00 0.00 0.24 0.00 -0.00 0.00 0.00 29.99 30.23 2guk n HIS 15 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.34 176.79 2guk h HIS 16 N 0.00 0.69 -0.45 1.57 -0.00 -0.63 -0.59 115.15 115.74 2guk h HIS 16 Ca 0.00 -0.07 -0.01 0.00 -0.00 0.00 0.00 60.37 60.29 2guk h HIS 16 Cb 0.00 -0.20 -0.02 0.00 -0.00 0.00 0.00 27.41 27.19 2guk h HIS 16 CO 0.00 0.64 0.26 0.82 -0.00 0.00 0.00 177.93 179.65 2guk h ILE 17 N 0.64 1.16 -0.95 2.45 2.04 -1.46 -1.14 117.51 120.24 2guk h ILE 17 Ca 0.14 -0.38 0.03 0.00 1.00 0.00 0.00 64.86 65.64 2guk h ILE 17 Cb 0.35 0.59 -0.05 0.00 -0.74 0.00 0.00 36.82 36.96 2guk h ILE 17 CO 0.01 0.16 0.62 1.88 0.00 0.00 0.00 178.15 180.82 2guk h TYR 18 N 0.60 1.16 -0.10 1.37 0.05 -1.68 -1.03 116.97 117.34 2guk h TYR 18 Ca 0.16 0.03 -0.01 0.00 0.05 0.00 0.00 58.73 58.96 2guk h TYR 18 Cb 0.03 -0.39 -0.00 0.00 1.01 0.00 0.00 36.73 37.38 2guk h TYR 18 CO -0.02 0.69 0.03 0.93 -1.05 0.00 0.00 178.16 178.73 2guk h GLU 19 N 1.21 0.16 -0.61 4.88 5.08 -0.86 0.39 114.58 124.84 2guk h GLU 19 Ca 0.37 -0.04 0.02 0.00 -1.00 0.00 0.00 59.36 58.72 2guk h GLU 19 Cb -0.02 -0.02 -0.04 0.00 0.50 0.00 0.00 28.75 29.17 2guk h GLU 19 CO -0.11 0.32 0.38 0.35 -1.00 0.00 0.00 179.01 178.95 2guk h PHE 20 N -0.02 0.71 -0.07 4.33 3.04 -1.09 0.89 116.94 124.73 2guk h PHE 20 Ca 0.03 0.02 -0.09 0.00 3.98 0.00 0.00 57.97 61.92 2guk h PHE 20 Cb 0.22 -0.23 -0.01 0.00 2.56 0.00 0.00 35.95 38.49 2guk h PHE 20 CO -0.00 0.42 -0.35 0.93 -2.02 0.00 0.00 178.31 177.28 2guk h GLU 21 N 0.75 0.15 -0.00 1.11 5.08 -0.92 -2.13 114.58 118.62 2guk h GLU 21 Ca 0.24 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.54 2guk h GLU 21 Cb -0.00 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.24 2guk h GLU 21 CO -0.09 0.49 -0.10 1.63 -1.00 0.00 0.00 179.01 179.94 2guk n LYS 22 N -4.09 0.27 -1.63 2.33 5.02 0.13 -4.95 118.16 115.26 2guk n LYS 22 Ca -0.01 -0.06 -0.06 0.00 -2.02 0.00 0.00 58.31 56.16 2guk n LYS 22 Cb 0.42 -1.50 -0.01 0.00 -0.02 0.00 0.00 35.03 33.92 2guk n LYS 22 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2guk n GLY 23 N 1.39 0.48 0.23 0.72 0.00 0.21 -4.94 105.19 103.29 2guk n GLY 23 Ca 0.10 -0.73 0.07 0.00 0.00 0.00 0.00 46.02 45.47 2guk n GLY 23 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 2guk h VAL 24 N 0.00 0.95 -2.55 1.61 2.07 -1.54 -3.46 116.25 113.34 2guk h VAL 24 Ca -0.12 -0.67 -0.06 0.00 0.82 0.00 0.00 66.70 66.67 2guk h VAL 24 Cb 0.73 1.38 -0.17 0.00 -1.52 0.00 0.00 31.29 31.71 2guk h VAL 24 CO 0.16 0.18 0.09 0.00 0.02 0.00 0.00 177.57 178.03 2guk s ARG 25 N -4.44 1.05 0.00 1.57 1.70 -1.26 -4.93 118.95 112.65 2guk s ARG 25 Ca -0.03 -0.09 0.10 0.00 -0.47 0.00 0.00 55.73 55.23 2guk s ARG 25 Cb 0.15 0.49 0.32 0.00 -0.57 0.00 0.00 34.95 35.34 2guk s ARG 25 CO 0.66 -0.37 1.25 -1.13 -1.08 0.00 0.00 175.30 174.63 2guk n SER 26 N 0.53 1.42 -3.64 -2.89 3.41 -1.26 -4.61 113.62 106.58 2guk n SER 26 Ca -0.19 -1.95 -0.14 0.00 -0.26 0.00 0.00 58.87 56.33 2guk n SER 26 Cb 0.59 -0.17 -0.07 0.00 -0.26 0.00 0.00 64.21 64.31 2guk n SER 26 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 2guk s VAL 28 N -1.67 0.00 -0.28 -3.33 1.01 0.57 -2.02 120.40 114.69 2guk s VAL 28 Ca 0.20 -0.01 -0.05 0.00 0.00 0.00 0.00 61.98 62.12 2guk s VAL 28 Cb 0.10 -0.94 0.01 0.00 0.00 0.00 0.00 36.38 35.56 2guk s VAL 28 CO 0.14 -0.00 0.04 -0.22 0.00 0.00 0.00 175.10 175.06 2guk s LEU 29 N 0.17 3.67 -0.10 3.92 0.20 -1.26 -0.96 118.68 124.32 2guk s LEU 29 Ca -0.01 -0.74 -0.00 0.00 0.69 0.00 0.00 54.13 54.07 2guk s LEU 29 Cb -0.04 -1.83 -0.03 0.00 -0.43 0.00 0.00 46.19 43.87 2guk s LEU 29 CO 0.02 -0.17 -0.09 0.00 -0.29 0.00 0.00 176.35 175.82 2guk s ALA 30 N 1.46 2.86 -0.21 5.97 0.00 0.37 -4.97 121.76 127.24 2guk s ALA 30 Ca 0.02 -0.89 -0.03 0.00 0.00 0.00 0.00 51.96 51.06 2guk s ALA 30 Cb -0.17 -1.26 -0.01 0.00 0.00 0.00 0.00 23.12 21.68 2guk s ALA 30 CO 0.01 0.42 -0.05 0.99 0.00 0.00 0.00 175.76 177.13 2guk s THR 31 N -0.29 3.36 0.06 0.00 2.01 -1.26 0.91 115.64 120.43 2guk s THR 31 Ca 0.04 -0.51 0.04 0.00 0.31 0.00 0.00 61.69 61.57 2guk s THR 31 Cb -0.13 -2.51 -0.03 0.00 0.01 0.00 0.00 72.50 69.84 2guk s THR 31 CO 0.03 0.44 -0.11 -0.76 -0.69 0.00 0.00 174.62 173.52 2guk s LEU 32 N 1.32 2.29 0.54 4.42 1.43 -0.34 -4.94 118.68 123.41 2guk s LEU 32 Ca 0.04 -0.63 -0.21 0.00 -1.03 0.00 0.00 54.13 52.30 2guk s LEU 32 Cb -0.14 -0.35 -0.05 0.00 0.03 0.00 0.00 46.19 45.68 2guk s LEU 32 CO -0.02 -0.16 1.30 0.00 0.23 0.00 0.00 176.35 177.70 2guk s ALA 33 N -1.52 2.79 0.46 4.21 0.00 -1.26 -0.53 121.76 125.92 2guk s ALA 33 Ca -0.04 1.22 0.13 0.00 0.00 0.00 0.00 51.96 53.27 2guk s ALA 33 Cb -0.09 -3.52 1.06 0.00 0.00 0.00 0.00 23.12 20.57 2guk s ALA 33 CO 0.01 -1.23 2.06 -0.91 0.00 0.00 0.00 175.76 175.68 2guk h ASN 34 N 1.46 0.11 0.84 0.00 2.35 -1.72 -0.91 115.58 117.71 2guk h ASN 34 Ca -0.51 -0.01 0.00 0.00 -0.55 0.00 0.00 56.30 55.23 2guk h ASN 34 Cb 1.29 -0.03 0.00 0.00 0.05 0.00 0.00 38.32 39.63 2guk h ASN 34 CO 0.57 0.16 0.00 0.44 -1.65 0.00 0.00 177.43 176.96 2guk h ASP 35 N 0.12 0.00 0.41 5.81 3.32 -1.91 -2.96 116.42 121.22 2guk h ASP 35 Ca 0.03 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.08 2guk h ASP 35 Cb 0.13 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.68 2guk h ASP 35 CO 0.00 0.00 -0.75 0.47 -1.72 0.00 0.00 179.24 177.24 2guk n ASP 36 N -2.73 0.64 -0.08 6.45 8.00 -0.35 -4.44 116.55 124.04 2guk n ASP 36 Ca 0.01 -0.35 -0.10 0.00 0.71 0.00 0.00 54.79 55.06 2guk n ASP 36 Cb 0.26 0.54 -0.03 0.00 -0.02 0.00 0.00 41.12 41.87 2guk n ASP 36 CO 0.00 0.00 0.00 0.40 -0.39 0.00 0.00 177.20 177.21 2guk h ILE 37 N 0.00 1.11 -0.59 0.53 1.08 -1.44 -2.25 117.51 115.96 2guk h ILE 37 Ca 0.00 -0.29 0.08 0.00 -0.39 0.00 0.00 64.86 64.27 2guk h ILE 37 Cb 0.58 0.82 -0.07 0.00 -3.07 0.00 0.00 36.82 35.09 2guk h ILE 37 CO 0.00 0.11 0.23 -0.65 -0.69 0.00 0.00 178.15 177.15 2guk h PRO 38 N 0.33 0.42 -0.02 2.37 0.11 -1.78 0.86 132.00 134.28 2guk h PRO 38 Ca 0.09 -0.03 0.01 0.00 0.11 0.00 0.00 66.00 66.19 2guk h PRO 38 Cb 0.04 -0.09 -0.01 0.00 0.11 0.00 0.00 31.00 31.05 2guk h PRO 38 CO -0.02 0.28 -0.04 -0.92 -0.21 0.00 0.00 178.00 177.09 2guk h TYR 39 N 0.43 -0.09 -0.73 0.65 3.20 -1.83 -1.41 116.97 117.20 2guk h TYR 39 Ca 0.29 0.00 0.03 0.00 3.14 0.00 0.00 58.73 62.20 2guk h TYR 39 Cb 0.32 0.04 -0.05 0.00 1.54 0.00 0.00 36.73 38.59 2guk h TYR 39 CO -0.15 -0.06 0.46 0.00 -1.64 0.00 0.00 178.16 176.77 2guk h ALA 40 N 0.97 0.96 -0.40 1.82 0.00 -0.55 -1.20 119.26 120.86 2guk h ALA 40 Ca 0.02 -0.02 -0.13 0.00 0.00 0.00 0.00 54.91 54.78 2guk h ALA 40 Cb 0.09 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 2guk h ALA 40 CO -0.06 0.23 -0.27 0.93 0.00 0.00 0.00 179.25 180.09 2guk h GLU 41 N 0.89 0.84 -0.63 0.00 5.08 -0.78 -1.71 114.58 118.27 2guk h GLU 41 Ca 0.30 -0.37 0.04 0.00 -1.00 0.00 0.00 59.36 58.32 2guk h GLU 41 Cb 0.03 -0.02 -0.04 0.00 0.50 0.00 0.00 28.75 29.22 2guk h GLU 41 CO -0.12 1.01 0.38 0.93 -1.00 0.00 0.00 179.01 180.21 2guk h GLU 42 N 0.72 0.71 -0.36 2.33 5.08 -0.71 0.27 114.58 122.62 2guk h GLU 42 Ca 0.09 -0.04 0.01 0.00 -1.00 0.00 0.00 59.36 58.41 2guk h GLU 42 Cb 0.81 -0.16 -0.02 0.00 0.50 0.00 0.00 28.75 29.89 2guk h GLU 42 CO 0.07 0.47 0.23 0.00 -1.00 0.00 0.00 179.01 178.77 2guk h ARG 43 N 0.73 0.45 -0.17 2.33 2.47 -0.93 -1.05 114.38 118.20 2guk h ARG 43 Ca 0.26 -0.03 -0.04 0.00 -1.26 0.00 0.00 59.98 58.92 2guk h ARG 43 Cb 0.07 -0.10 -0.01 0.00 -1.65 0.00 0.00 29.97 28.28 2guk h ARG 43 CO -0.12 0.30 -0.04 -0.07 0.56 0.00 0.00 179.97 180.59 2guk h LEU 44 N 0.47 0.33 -0.88 3.04 4.07 -0.88 -2.25 115.31 119.21 2guk h LEU 44 Ca 0.13 -0.37 0.02 0.00 0.08 0.00 0.00 57.88 57.75 2guk h LEU 44 Cb -0.04 -0.09 -0.05 0.00 1.08 0.00 0.00 40.66 41.56 2guk h LEU 44 CO -0.04 0.62 0.57 0.03 -1.08 0.00 0.00 178.44 178.54 2guk h ARG 45 N 0.04 1.10 -0.59 1.13 3.08 -0.42 -0.26 114.38 118.46 2guk h ARG 45 Ca 0.04 -0.07 -0.02 0.00 0.07 0.00 0.00 59.98 60.01 2guk h ARG 45 Cb 0.48 -0.25 -0.03 0.00 0.08 0.00 0.00 29.97 30.25 2guk h ARG 45 CO 0.02 0.73 0.29 1.03 -1.07 0.00 0.00 179.97 180.97 2guk h SER 46 N 1.14 0.74 -0.18 7.04 0.87 -1.01 -1.99 113.55 120.15 2guk h SER 46 Ca 0.34 -0.07 0.00 0.00 -1.23 0.00 0.00 61.79 60.83 2guk h SER 46 Cb -0.05 -0.19 0.00 0.00 -0.44 0.00 0.00 62.40 61.72 2guk h SER 46 CO -0.10 0.62 0.00 0.54 -0.53 0.00 0.00 176.83 177.36 2guk n ARG 47 N -4.37 1.98 -3.68 2.24 1.74 -0.86 -4.95 116.66 108.77 2guk n ARG 47 Ca 0.05 -1.47 -0.22 0.00 -0.77 0.00 0.00 57.85 55.45 2guk n ARG 47 Cb 0.12 -1.45 0.03 0.00 -1.02 0.00 0.00 32.46 30.15 2guk n ARG 47 CO 0.00 0.00 0.00 1.04 -1.52 0.00 0.00 177.63 177.15 2guk n GLN 48 N 0.71 -4.49 -3.70 5.56 6.02 -0.52 -4.99 117.38 115.97 2guk n GLN 48 Ca 0.17 0.62 -0.38 0.00 -0.01 0.00 0.00 57.00 57.40 2guk n GLN 48 Cb 0.43 -5.12 -0.12 0.00 1.02 0.00 0.00 30.24 26.45 2guk n GLN 48 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 2guk s ILE 49 N -3.65 4.46 0.45 5.09 1.01 -0.22 -5.04 121.20 123.31 2guk s ILE 49 Ca 0.06 -0.31 -0.25 0.00 0.00 0.00 0.00 60.65 60.15 2guk s ILE 49 Cb -0.02 -3.19 -0.09 0.00 0.01 0.00 0.00 42.46 39.18 2guk s ILE 49 CO 0.81 0.19 1.39 -2.65 0.00 0.00 0.00 174.94 174.68 2guk n PRO 50 N 4.95 2.15 -4.00 2.79 -0.02 -1.25 -4.50 135.00 135.11 2guk n PRO 50 Ca -0.15 0.77 -0.10 0.00 -2.02 0.00 0.00 63.50 62.00 2guk n PRO 50 Cb 0.50 -2.57 -0.08 0.00 -0.02 0.00 0.00 33.50 31.34 2guk n PRO 50 CO 0.00 0.00 0.00 1.52 1.98 0.00 0.00 175.50 179.00 2guk s TYR 51 N -1.20 0.51 -0.09 6.00 -0.85 -1.26 -2.08 117.35 118.38 2guk s TYR 51 Ca 0.61 -0.87 -0.03 0.00 -0.52 0.00 0.00 57.07 56.27 2guk s TYR 51 Cb -0.46 -0.14 0.05 0.00 0.38 0.00 0.00 41.96 41.78 2guk s TYR 51 CO 0.57 -0.69 0.13 0.12 -1.52 0.00 0.00 175.55 174.16 2guk s PHE 52 N -3.99 -0.07 -0.08 -3.49 5.36 0.33 -4.98 117.98 111.06 2guk s PHE 52 Ca 0.19 0.36 -0.11 0.00 -0.96 0.00 0.00 56.93 56.42 2guk s PHE 52 Cb 0.04 -0.39 -0.05 0.00 -0.34 0.00 0.00 43.02 42.29 2guk s PHE 52 CO 0.01 -0.30 0.25 0.00 -1.46 0.00 0.00 175.22 173.72 2guk s ALA 53 N 2.24 3.78 0.11 11.12 0.00 -1.26 -0.90 121.76 136.85 2guk s ALA 53 Ca 0.04 -0.47 -0.13 0.00 0.00 0.00 0.00 51.96 51.41 2guk s ALA 53 Cb -0.13 -2.17 0.02 0.00 0.00 0.00 0.00 23.12 20.84 2guk s ALA 53 CO -0.06 0.50 0.30 1.14 0.00 0.00 0.00 175.76 177.65 2guk s GLN 54 N -0.85 0.97 0.74 0.00 -2.07 0.13 -5.00 119.66 113.58 2guk s GLN 54 Ca 0.18 -0.83 -0.12 0.00 -1.82 0.00 0.00 55.36 52.76 2guk s GLN 54 Cb -0.14 0.41 0.18 0.00 -1.09 0.00 0.00 33.01 32.38 2guk s GLN 54 CO 0.07 -0.35 0.69 -0.35 -1.32 0.00 0.00 175.29 174.03 2guk n PRO 55 N -0.15 -2.15 -3.79 9.60 -0.04 -1.26 0.17 135.00 137.37 2guk n PRO 55 Ca -0.15 -1.10 -0.13 0.00 -0.04 0.00 0.00 63.50 62.08 2guk n PRO 55 Cb 0.63 -0.99 -0.09 0.00 -0.04 0.00 0.00 33.50 33.01 2guk n PRO 55 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 2guk s THR 56 N -2.29 0.06 0.59 0.52 2.01 -1.25 -4.43 115.64 110.84 2guk s THR 56 Ca 0.44 -0.52 0.29 0.00 0.31 0.00 0.00 61.69 62.21 2guk s THR 56 Cb -0.04 -0.56 0.39 0.00 0.01 0.00 0.00 72.50 72.30 2guk s THR 56 CO 0.34 -0.29 1.84 -0.65 -0.69 0.00 0.00 174.62 175.17 2guk h PRO 57 N 4.00 0.00 -0.66 4.92 0.11 -1.98 -3.05 132.00 135.35 2guk h PRO 57 Ca -0.30 0.00 -0.31 0.00 0.11 0.00 0.00 66.00 65.50 2guk h PRO 57 Cb 1.18 0.00 -0.18 0.00 0.11 0.00 0.00 31.00 32.11 2guk h PRO 57 CO 0.40 0.00 0.27 0.09 -0.21 0.00 0.00 178.00 178.55 2guk n ASN 58 N -3.71 3.38 0.00 -2.05 5.03 -1.26 -4.99 115.26 111.66 2guk n ASN 58 Ca 0.11 -3.59 0.00 0.00 0.87 0.00 0.00 54.58 51.97 2guk n ASN 58 Cb 0.78 -0.73 0.00 0.00 -1.02 0.00 0.00 39.78 38.81 2guk n ASN 58 CO 0.00 0.00 0.00 0.35 -1.83 0.00 0.00 177.26 175.78 2guk n THR 59 N -0.97 0.00 0.67 3.41 -2.24 -1.16 -3.69 114.28 110.30 2guk n THR 59 Ca 0.44 0.00 0.04 0.00 -2.27 0.00 0.00 64.05 62.26 2guk n THR 59 Cb 1.33 0.00 0.15 0.00 -2.10 0.00 0.00 70.33 69.71 2guk n THR 59 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2guk n GLU 60 N 0.00 2.11 -4.32 -0.78 1.02 -1.26 -4.89 120.64 112.53 2guk n GLU 60 Ca 0.00 -1.21 -0.21 0.00 -0.02 0.00 0.00 57.16 55.72 2guk n GLU 60 Cb 0.00 -1.49 -0.11 0.00 -0.02 0.00 0.00 31.44 29.82 2guk n GLU 60 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 2guk s ARG 61 N -1.65 1.23 -0.04 3.49 0.52 -1.24 -1.88 118.95 119.38 2guk s ARG 61 Ca 0.22 -1.37 0.03 0.00 -0.52 0.00 0.00 55.73 54.08 2guk s ARG 61 Cb 0.14 -1.27 0.01 0.00 0.52 0.00 0.00 34.95 34.34 2guk s ARG 61 CO 0.11 0.26 -0.10 0.99 0.02 0.00 0.00 175.30 176.57 2guk s THR 62 N -2.03 0.92 -0.14 0.02 2.01 0.31 -3.97 115.64 112.76 2guk s THR 62 Ca 0.14 -0.42 -0.24 0.00 0.31 0.00 0.00 61.69 61.49 2guk s THR 62 Cb -0.06 -0.83 -0.02 0.00 0.01 0.00 0.00 72.50 71.60 2guk s THR 62 CO 0.06 0.29 0.77 0.20 -0.69 0.00 0.00 174.62 175.25 2guk s ASN 63 N 0.32 6.94 -0.31 3.53 0.01 0.13 -1.19 114.94 124.36 2guk s ASN 63 Ca -0.06 1.14 0.03 0.00 -0.71 0.00 0.00 52.86 53.26 2guk s ASN 63 Cb -0.11 -2.43 0.08 0.00 0.41 0.00 0.00 41.25 39.20 2guk s ASN 63 CO 0.01 -0.30 -0.01 -0.22 -1.51 0.00 0.00 177.10 175.07 2guk s LEU 64 N 1.73 4.18 0.11 0.60 2.96 0.26 0.18 118.68 128.71 2guk s LEU 64 Ca 0.37 -1.77 -0.19 0.00 -0.22 0.00 0.00 54.13 52.32 2guk s LEU 64 Cb -0.17 -1.61 -0.07 0.00 0.50 0.00 0.00 46.19 44.84 2guk s LEU 64 CO 0.14 -0.30 0.60 -0.36 -1.32 0.00 0.00 176.35 175.11 2guk s PHE 65 N 1.02 3.76 0.07 5.38 0.40 -0.08 -0.48 117.98 128.06 2guk s PHE 65 Ca 0.01 1.29 -0.08 0.00 -0.60 0.00 0.00 56.93 57.55 2guk s PHE 65 Cb -0.20 -2.51 -0.01 0.00 0.51 0.00 0.00 43.02 40.81 2guk s PHE 65 CO -0.06 0.53 0.16 -0.59 0.70 0.00 0.00 175.22 175.95 2guk s PHE 66 N -1.22 0.17 -5.00 0.36 -0.71 -0.13 -0.51 117.98 110.94 2guk s PHE 66 Ca 0.33 -0.56 0.00 0.00 -1.04 0.00 0.00 56.93 55.66 2guk s PHE 66 Cb -0.19 -0.10 0.00 0.00 -1.21 0.00 0.00 43.02 41.53 2guk s PHE 66 CO 0.20 -0.48 0.00 0.41 -1.34 0.00 0.00 175.22 174.01 2guk n GLY 67 N 0.21 -0.33 3.68 1.99 0.00 -0.88 -0.31 105.19 109.55 2guk n GLY 67 Ca -0.16 -1.29 -0.40 0.00 0.00 0.00 0.00 46.02 44.17 2guk n GLY 67 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2guk h LYS 69 N 1.62 0.38 -0.12 0.00 2.10 -1.93 -2.57 116.57 116.05 2guk h LYS 69 Ca -0.48 -0.02 0.02 0.00 -2.00 0.00 0.00 60.65 58.17 2guk h LYS 69 Cb 1.31 -0.09 -0.02 0.00 -0.90 0.00 0.00 32.23 32.53 2guk h LYS 69 CO 0.57 0.25 -0.04 0.93 -2.00 0.00 0.00 179.45 179.17 2guk h GLU 70 N 0.39 -0.01 -2.01 0.07 3.07 -1.99 -1.47 114.58 112.63 2guk h GLU 70 Ca 0.39 0.00 -0.01 0.00 -0.50 0.00 0.00 59.36 59.25 2guk h GLU 70 Cb 0.96 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 28.87 2guk h GLU 70 CO -0.13 -0.01 -0.01 0.00 -1.40 0.00 0.00 179.01 177.46 2guk n GLU 73 N 1.66 0.00 -0.08 0.00 1.02 -0.56 -0.62 120.64 122.07 2guk n GLU 73 Ca 0.02 0.00 -0.07 0.00 -0.02 0.00 0.00 57.16 57.09 2guk n GLU 73 Cb 0.41 0.00 -0.00 0.00 -0.02 0.00 0.00 31.44 31.82 2guk n GLU 73 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2guk h ALA 74 N 0.00 0.22 -0.11 0.62 0.00 -1.65 -2.68 119.26 115.66 2guk h ALA 74 Ca 0.00 0.11 -0.10 0.00 0.00 0.00 0.00 54.91 54.91 2guk h ALA 74 Cb 0.00 0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 2guk h ALA 74 CO 0.00 -0.45 -0.40 -0.84 0.00 0.00 0.00 179.25 177.57 2guk h ILE 75 N 0.03 1.30 0.00 0.00 3.07 -1.16 -1.46 117.51 119.30 2guk h ILE 75 Ca 0.14 -1.49 0.00 0.00 1.55 0.00 0.00 64.86 65.07 2guk h ILE 75 Cb 0.21 1.66 0.00 0.00 -0.27 0.00 0.00 36.82 38.43 2guk h ILE 75 CO -0.29 0.44 0.00 0.54 -1.05 0.00 0.00 178.15 177.80 2guk n ARG 76 N -4.04 0.04 -0.02 0.16 5.12 -1.04 -0.04 116.66 116.85 2guk n ARG 76 Ca -0.01 0.46 -0.02 0.00 -1.93 0.00 0.00 57.85 56.35 2guk n ARG 76 Cb 0.47 -1.62 -0.12 0.00 -1.16 0.00 0.00 32.46 30.02 2guk n ARG 76 CO 0.00 0.00 0.00 -0.11 -1.93 0.00 0.00 177.63 175.59 2guk n LEU 77 N -1.71 0.48 0.00 0.55 0.00 -0.56 -4.44 117.00 111.33 2guk n LEU 77 Ca 0.01 0.21 0.00 0.00 0.00 0.00 0.00 56.01 56.23 2guk n LEU 77 Cb 0.06 0.20 0.00 0.00 0.00 0.00 0.00 43.42 43.68 2guk n LEU 77 CO 0.07 0.26 -0.04 2.22 0.00 0.00 0.00 177.39 179.90 2guk n PHE 78 N -2.77 0.00 -0.05 1.96 1.16 -0.95 -4.79 117.46 112.02 2guk n PHE 78 Ca -0.17 0.00 0.02 0.00 -1.87 0.00 0.00 57.45 55.43 2guk n PHE 78 Cb 0.92 0.00 -0.16 0.00 -1.61 0.00 0.00 39.48 38.63 2guk n PHE 78 CO 0.00 0.00 0.00 0.28 -1.87 0.00 0.00 176.76 175.17 2guk n VAL 79 N -0.58 0.60 -1.65 1.97 0.31 0.94 -4.86 118.33 115.07 2guk n VAL 79 Ca 0.00 -0.65 -0.48 0.00 -0.01 0.00 0.00 64.34 63.21 2guk n VAL 79 Cb 0.00 -0.20 -0.05 0.00 -0.91 0.00 0.00 33.84 32.68 2guk n VAL 79 CO 0.00 0.00 0.00 -1.20 -1.32 0.00 0.00 176.83 174.31 2guk n SER 80 N -2.46 2.65 0.00 4.52 7.64 -1.23 -0.94 113.62 123.79 2guk n SER 80 Ca -0.17 1.10 0.00 0.00 1.01 0.00 0.00 58.87 60.81 2guk n SER 80 Cb 0.82 -1.36 0.00 0.00 -1.01 0.00 0.00 64.21 62.66 2guk n SER 80 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2guk n GLY 81 N 3.12 0.39 3.25 0.23 0.00 -1.26 -4.97 105.19 105.95 2guk n GLY 81 Ca 0.17 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.91 2guk n GLY 81 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2guk s ARG 82 N -0.72 1.75 0.36 1.61 0.52 -0.12 -5.13 118.95 117.23 2guk s ARG 82 Ca 0.00 -0.82 -0.27 0.00 -0.52 0.00 0.00 55.73 54.12 2guk s ARG 82 Cb 0.00 -1.72 -0.09 0.00 0.52 0.00 0.00 34.95 33.66 2guk s ARG 82 CO 0.00 0.47 1.19 0.45 0.02 0.00 0.00 175.30 177.43 2guk s SER 83 N -0.62 6.70 0.58 0.23 0.15 -1.26 -4.91 113.70 114.56 2guk s SER 83 Ca 0.09 2.41 0.39 0.00 0.70 0.00 0.00 55.95 59.54 2guk s SER 83 Cb -0.09 -2.62 2.07 0.00 -1.71 0.00 0.00 66.02 63.67 2guk s SER 83 CO -0.00 -0.56 2.19 -0.07 1.20 0.00 0.00 173.24 176.00 2guk h LEU 84 N 3.00 0.00 -0.83 3.45 3.38 -1.97 -2.28 115.31 120.05 2guk h LEU 84 Ca -0.48 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.49 2guk h LEU 84 Cb 1.23 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.98 2guk h LEU 84 CO 0.64 0.00 0.00 0.59 0.09 0.00 0.00 178.44 179.76 2guk n ASN 85 N -2.90 1.27 -0.87 -0.43 3.02 -1.26 -3.85 115.26 110.24 2guk n ASN 85 Ca -0.02 -1.50 0.09 0.00 -0.03 0.00 0.00 54.58 53.12 2guk n ASN 85 Cb 0.09 -0.03 0.15 0.00 -0.61 0.00 0.00 39.78 39.38 2guk n ASN 85 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 2guk n SER 86 N 0.02 2.97 -4.81 6.41 3.41 -0.86 -5.03 113.62 115.72 2guk n SER 86 Ca 0.18 -1.87 -0.33 0.00 -0.26 0.00 0.00 58.87 56.59 2guk n SER 86 Cb 0.30 -0.17 -0.06 0.00 -0.26 0.00 0.00 64.21 64.02 2guk n SER 86 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 2guk s LEU 87 N -1.29 3.89 0.96 1.04 1.43 -1.25 -5.04 118.68 118.42 2guk s LEU 87 Ca 0.29 1.76 -0.12 0.00 -1.03 0.00 0.00 54.13 55.03 2guk s LEU 87 Cb 0.17 -4.54 0.17 0.00 0.03 0.00 0.00 46.19 42.02 2guk s LEU 87 CO 0.24 -0.51 1.09 0.42 0.23 0.00 0.00 176.35 177.82 2guk s THR 88 N -2.15 2.40 0.46 5.49 -4.23 -1.26 -4.75 115.64 111.60 2guk s THR 88 Ca 0.63 0.13 0.12 0.00 -1.18 0.00 0.00 61.69 61.39 2guk s THR 88 Cb -0.11 -2.50 0.25 0.00 1.34 0.00 0.00 72.50 71.48 2guk s THR 88 CO 0.16 -0.17 2.08 -0.65 -0.54 0.00 0.00 174.62 175.50 2guk h PRO 89 N -1.82 0.25 0.01 3.99 0.11 -1.97 0.16 132.00 132.72 2guk h PRO 89 Ca -0.52 -0.02 -0.00 0.00 0.11 0.00 0.00 66.00 65.57 2guk h PRO 89 Cb 1.30 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.36 2guk h PRO 89 CO 0.53 0.20 -0.00 0.93 -0.21 0.00 0.00 178.00 179.45 2guk h GLU 90 N 0.25 -0.01 -0.86 1.05 3.07 -1.95 -2.11 114.58 114.02 2guk h GLU 90 Ca 0.06 0.00 0.15 0.00 -0.50 0.00 0.00 59.36 59.08 2guk h GLU 90 Cb 0.04 0.00 -0.10 0.00 -0.84 0.00 0.00 28.75 27.86 2guk h GLU 90 CO -0.01 0.58 0.45 0.93 -1.40 0.00 0.00 179.01 179.55 2guk h GLU 91 N -0.61 0.61 -0.88 2.33 5.08 -1.82 -1.43 114.58 117.86 2guk h GLU 91 Ca -0.00 -0.04 0.01 0.00 -1.00 0.00 0.00 59.36 58.33 2guk h GLU 91 Cb 0.59 -0.14 -0.04 0.00 0.50 0.00 0.00 28.75 29.66 2guk h GLU 91 CO 0.00 0.40 0.57 0.22 -1.00 0.00 0.00 179.01 179.21 2guk h ASP 92 N 0.63 1.02 -0.28 1.42 3.58 -0.62 -0.99 116.42 121.18 2guk h ASP 92 Ca 0.47 -0.04 -0.02 0.00 0.42 0.00 0.00 57.03 57.86 2guk h ASP 92 Cb 0.67 -0.26 -0.01 0.00 1.72 0.00 0.00 39.33 41.46 2guk h ASP 92 CO -0.37 0.75 0.09 0.15 -2.88 0.00 0.00 179.24 176.99 2guk h PHE 93 N 1.20 0.45 -0.02 0.28 3.04 -0.65 -1.63 116.94 119.60 2guk h PHE 93 Ca 0.32 -0.04 0.00 0.00 3.98 0.00 0.00 57.97 62.23 2guk h PHE 93 Cb -0.12 -0.13 -0.00 0.00 2.56 0.00 0.00 35.95 38.26 2guk h PHE 93 CO -0.01 0.47 0.01 0.82 -2.02 0.00 0.00 178.31 177.59 2guk h ILE 94 N 0.29 1.02 -0.27 1.41 2.04 -0.95 0.31 117.51 121.35 2guk h ILE 94 Ca 0.09 -0.04 0.04 0.00 1.00 0.00 0.00 64.86 65.95 2guk h ILE 94 Cb 0.23 1.01 -0.03 0.00 -0.74 0.00 0.00 36.82 37.28 2guk h ILE 94 CO -0.00 0.01 0.06 0.40 0.00 0.00 0.00 178.15 178.62 2guk h ILE 95 N 0.02 0.88 -0.35 -0.67 1.08 -1.15 -2.30 117.51 115.02 2guk h ILE 95 Ca 0.01 -0.06 0.00 0.00 -0.39 0.00 0.00 64.86 64.42 2guk h ILE 95 Cb 0.01 0.70 -0.02 0.00 -3.07 0.00 0.00 36.82 34.44 2guk h ILE 95 CO -0.00 0.03 0.23 1.23 -0.69 0.00 0.00 178.15 178.95 2guk h GLY 96 N 0.17 0.49 -1.75 5.37 0.00 -1.01 -0.77 103.07 105.56 2guk h GLY 96 Ca 0.13 -0.18 0.00 0.00 0.00 0.00 0.00 47.33 47.28 2guk h GLY 96 CO -0.16 0.18 0.00 0.00 0.00 0.00 0.00 176.54 176.56 2guk n ALA 97 N -2.19 1.10 0.00 3.60 0.00 0.10 -2.07 120.51 121.05 2guk n ALA 97 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.43 2guk n ALA 97 Cb 0.02 -0.83 0.00 0.00 0.00 0.00 0.00 19.45 18.64 2guk n ALA 97 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2guk n LEU 99 N 0.74 0.00 0.00 0.00 4.77 -0.30 -4.21 117.00 118.00 2guk n LEU 99 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 2guk n LEU 99 Cb 0.00 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 2guk n LEU 99 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 176.67 2guk n GLY 100 N 0.00 0.88 3.77 -0.72 0.00 -0.97 -4.82 105.19 103.33 2guk n GLY 100 Ca 0.00 -0.06 -0.38 0.00 0.00 0.00 0.00 46.02 45.59 2guk n GLY 100 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2guk s TYR 101 N -2.00 3.32 0.21 1.61 2.02 -0.88 -4.94 117.35 116.69 2guk s TYR 101 Ca 0.00 1.64 -0.32 0.00 -0.37 0.00 0.00 57.07 58.02 2guk s TYR 101 Cb 0.00 -3.22 -0.13 0.00 -0.40 0.00 0.00 41.96 38.21 2guk s TYR 101 CO 0.00 -0.74 1.59 -3.47 -1.57 0.00 0.00 175.55 171.37 2guk n ASP 102 N 0.31 3.43 0.04 2.29 2.03 -1.26 -4.64 116.55 118.75 2guk n ASP 102 Ca 0.03 1.10 -0.05 0.00 0.52 0.00 0.00 54.79 56.40 2guk n ASP 102 Cb 0.48 -1.50 0.17 0.00 -0.72 0.00 0.00 41.12 39.54 2guk n ASP 102 CO 0.00 0.00 0.00 0.40 -1.92 0.00 0.00 177.20 175.68 2guk h ILE 103 N 3.51 1.30 -0.30 5.18 1.08 -1.98 -0.62 117.51 125.69 2guk h ILE 103 Ca -0.45 -1.52 -0.11 0.00 -0.39 0.00 0.00 64.86 62.39 2guk h ILE 103 Cb 1.24 1.59 -0.01 0.00 -3.07 0.00 0.00 36.82 36.56 2guk h ILE 103 CO 0.87 0.47 -0.28 0.00 -0.69 0.00 0.00 178.15 178.52 2guk h ARG 105 N 0.52 0.71 -0.87 0.00 2.43 -1.84 -2.48 114.38 112.85 2guk h ARG 105 Ca 0.07 -0.10 -0.01 0.00 -0.81 0.00 0.00 59.98 59.13 2guk h ARG 105 Cb 0.74 -0.13 -0.04 0.00 -0.42 0.00 0.00 29.97 30.12 2guk h ARG 105 CO 0.06 0.58 0.50 1.96 -1.51 0.00 0.00 179.97 181.56 2guk h GLN 106 N 0.66 1.20 -0.39 0.20 1.08 -0.58 -1.59 115.11 115.69 2guk h GLN 106 Ca 0.17 -0.12 0.00 0.00 -1.45 0.00 0.00 58.65 57.25 2guk h GLN 106 Cb 0.09 -0.24 -0.02 0.00 -0.05 0.00 0.00 27.48 27.26 2guk h GLN 106 CO -0.02 0.86 0.25 0.00 -0.95 0.00 0.00 178.83 178.97 2guk h GLU 108 N 0.52 0.20 -0.60 0.00 4.81 -1.17 -0.82 114.58 117.52 2guk h GLU 108 Ca 0.14 -0.01 0.02 0.00 -0.13 0.00 0.00 59.36 59.38 2guk h GLU 108 Cb -0.03 -0.04 -0.04 0.00 0.63 0.00 0.00 28.75 29.27 2guk h GLU 108 CO -0.03 0.15 0.38 0.00 -0.73 0.00 0.00 179.01 178.78 2guk h ARG 109 N 0.19 0.73 -0.69 1.92 3.08 -1.03 -1.30 114.38 117.28 2guk h ARG 109 Ca 0.05 -0.04 0.06 0.00 0.07 0.00 0.00 59.98 60.12 2guk h ARG 109 Cb -0.01 -0.16 -0.06 0.00 0.08 0.00 0.00 29.97 29.82 2guk h ARG 109 CO -0.01 0.48 0.39 -0.92 -1.07 0.00 0.00 179.97 178.84 2guk h TYR 110 N 0.75 0.72 -0.70 3.04 3.20 -0.53 -1.21 116.97 122.24 2guk h TYR 110 Ca 0.24 0.03 -0.03 0.00 3.14 0.00 0.00 58.73 62.10 2guk h TYR 110 Cb -0.01 -0.22 -0.03 0.00 1.54 0.00 0.00 36.73 38.01 2guk h TYR 110 CO -0.05 0.34 0.33 0.00 -1.64 0.00 0.00 178.16 177.14 2guk h ARG 112 N 0.98 0.13 -0.81 0.00 3.08 -0.69 -2.50 114.38 114.57 2guk h ARG 112 Ca 0.24 -0.01 -0.00 0.00 0.07 0.00 0.00 59.98 60.28 2guk h ARG 112 Cb 0.13 -0.03 -0.00 0.00 0.08 0.00 0.00 29.97 30.15 2guk h ARG 112 CO -0.03 0.09 0.01 0.54 -1.07 0.00 0.00 179.97 179.51 2guk n ARG 113 N -5.02 2.81 0.00 0.04 1.74 -0.51 -5.12 116.66 110.60 2guk n ARG 113 Ca -0.05 -1.48 0.00 0.00 -0.77 0.00 0.00 57.85 55.56 2guk n ARG 113 Cb 0.04 -1.86 0.00 0.00 -1.02 0.00 0.00 32.46 29.62 2guk n ARG 113 CO 0.00 0.00 0.00 1.17 -1.52 0.00 0.00 177.63 177.28