#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qry n SER 2 N 0.00 -2.92 -0.13 1.61 2.88 -1.26 -4.96 113.62 108.83 1qry n SER 2 Ca 0.00 -3.17 0.04 0.00 -1.33 0.00 0.00 58.87 54.41 1qry n SER 2 Cb 0.00 1.77 -0.01 0.00 -0.75 0.00 0.00 64.21 65.22 1qry n SER 2 CO 0.00 0.00 0.00 1.41 -1.23 0.00 0.00 175.04 175.22 1qry n HIS 3 N 1.86 0.00 -3.96 0.66 -0.00 -1.26 -4.88 115.22 107.64 1qry n HIS 3 Ca 0.10 0.00 -0.31 0.00 -0.00 0.00 0.00 57.72 57.51 1qry n HIS 3 Cb 0.62 0.00 -0.15 0.00 -0.00 0.00 0.00 29.99 30.46 1qry n HIS 3 CO 0.00 0.00 0.00 -1.64 -0.00 0.00 0.00 176.34 174.70 1qry s MET 4 N -1.31 1.49 0.00 -0.41 1.00 -1.26 -4.97 119.30 113.83 1qry s MET 4 Ca 0.06 -1.51 0.00 0.00 0.00 0.00 0.00 55.69 54.24 1qry s MET 4 Cb 0.06 -2.84 0.00 0.00 0.00 0.00 0.00 34.83 32.05 1qry s MET 4 CO 0.23 -0.83 0.00 0.45 0.00 0.00 0.00 175.02 174.86 1qry n SER 5 N 4.45 0.00 0.08 3.03 2.88 -1.26 -5.09 113.62 117.71 1qry n SER 5 Ca -0.03 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.51 1qry n SER 5 Cb 0.42 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.88 1qry n SER 5 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14 1qry n ASP 6 N 0.00 -0.67 -1.40 -3.46 2.03 -1.26 -5.16 116.55 106.63 1qry n ASP 6 Ca 0.00 0.28 0.13 0.00 0.52 0.00 0.00 54.79 55.72 1qry n ASP 6 Cb 0.00 0.78 -0.07 0.00 -0.72 0.00 0.00 41.12 41.11 1qry n ASP 6 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1qry n GLY 7 N 0.55 -3.52 3.03 0.27 0.00 -1.26 -4.77 105.19 99.49 1qry n GLY 7 Ca 0.00 -1.02 -0.32 0.00 0.00 0.00 0.00 46.02 44.67 1qry n GLY 7 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1qry s LEU 8 N -6.70 4.80 0.31 0.99 1.02 -1.26 -4.92 118.68 112.92 1qry s LEU 8 Ca 0.00 -2.46 0.16 0.00 0.02 0.00 0.00 54.13 51.85 1qry s LEU 8 Cb 0.00 -1.70 0.31 0.00 0.02 0.00 0.00 46.19 44.83 1qry s LEU 8 CO 0.00 -0.37 1.56 -0.65 0.02 0.00 0.00 176.35 176.91 1qry h PRO 9 N 7.31 0.00 0.00 1.29 0.11 -2.03 -3.38 132.00 135.30 1qry h PRO 9 Ca -0.07 0.00 -0.12 0.00 0.11 0.00 0.00 66.00 65.92 1qry h PRO 9 Cb 0.98 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.07 1qry h PRO 9 CO 0.63 0.48 -1.18 0.09 -0.21 0.00 0.00 178.00 177.80 1qry n ASN 10 N -3.36 1.07 0.00 -2.05 3.02 -1.26 -5.00 115.26 107.68 1qry n ASN 10 Ca 0.01 0.17 0.00 0.00 -0.03 0.00 0.00 54.58 54.73 1qry n ASN 10 Cb 0.65 -0.41 0.00 0.00 -0.61 0.00 0.00 39.78 39.42 1qry n ASN 10 CO 0.00 0.00 0.00 1.17 -2.62 0.00 0.00 177.26 175.81 1qry n LYS 11 N -3.67 0.00 0.00 3.52 0.00 -1.26 -4.78 118.16 111.96 1qry n LYS 11 Ca -0.16 0.00 0.00 0.00 0.00 0.00 0.00 58.31 58.15 1qry n LYS 11 Cb 0.49 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.52 1qry n LYS 11 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.40 177.76 1qry n LYS 12 N 0.00 2.55 -3.37 1.64 2.85 -1.26 -4.70 118.16 115.87 1qry n LYS 12 Ca 0.00 0.00 -0.12 0.00 -1.05 0.00 0.00 58.31 57.14 1qry n LYS 12 Cb 0.00 0.00 0.01 0.00 -0.65 0.00 0.00 35.03 34.39 1qry n LYS 12 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 177.40 177.89 1qry n ARG 13 N 0.00 -1.43 -0.07 -1.58 1.74 -1.26 -4.67 116.66 109.39 1qry n ARG 13 Ca 0.00 1.10 0.00 0.00 -0.77 0.00 0.00 57.85 58.18 1qry n ARG 13 Cb 0.00 -4.57 0.00 0.00 -1.02 0.00 0.00 32.46 26.87 1qry n ARG 13 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 1qry n LYS 14 N -2.46 0.26 -1.03 5.56 5.02 -1.26 -4.84 118.16 119.40 1qry n LYS 14 Ca -0.11 0.00 -0.40 0.00 -2.02 0.00 0.00 58.31 55.78 1qry n LYS 14 Cb 0.58 -1.37 -0.06 0.00 -0.02 0.00 0.00 35.03 34.16 1qry n LYS 14 CO 0.00 0.00 0.00 2.89 -0.52 0.00 0.00 177.40 179.77 1qry n ARG 15 N 1.40 0.00 -2.39 1.97 1.85 -1.26 -4.87 116.66 113.35 1qry n ARG 15 Ca 0.00 0.00 -0.27 0.00 -1.00 0.00 0.00 57.85 56.58 1qry n ARG 15 Cb 0.13 -0.88 0.02 0.00 -1.05 0.00 0.00 32.46 30.68 1qry n ARG 15 CO 0.00 0.00 0.00 0.50 -0.01 0.00 0.00 177.63 178.12 1qry s ARG 16 N 1.77 3.12 0.12 2.89 3.52 -1.26 -5.02 118.95 124.10 1qry s ARG 16 Ca 0.62 0.13 -0.30 0.00 -0.13 0.00 0.00 55.73 56.04 1qry s ARG 16 Cb -0.88 -2.27 -0.07 0.00 -1.56 0.00 0.00 34.95 30.17 1qry s ARG 16 CO 0.48 -0.58 1.23 0.54 -0.81 0.00 0.00 175.30 176.16 1qry s VAL 17 N -2.96 3.73 0.00 7.11 0.11 -1.26 -5.01 120.40 122.12 1qry s VAL 17 Ca 0.53 1.32 0.00 0.00 -2.93 0.00 0.00 61.98 60.90 1qry s VAL 17 Cb -0.11 -3.84 0.00 0.00 -1.53 0.00 0.00 36.38 30.90 1qry s VAL 17 CO 0.46 0.15 0.00 0.18 -3.33 0.00 0.00 175.10 172.56 1qry n LEU 18 N 3.35 0.00 0.00 2.54 4.77 -1.26 -5.16 117.00 121.24 1qry n LEU 18 Ca 0.07 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.05 1qry n LEU 18 Cb 0.45 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.54 1qry n LEU 18 CO 0.56 0.00 0.00 0.49 -1.33 0.00 0.00 177.39 177.11 1qry n PHE 19 N 0.00 0.00 -2.76 -1.77 3.01 -1.26 -5.09 117.46 109.59 1qry n PHE 19 Ca 0.00 0.00 -0.43 0.00 1.01 0.00 0.00 57.45 58.03 1qry n PHE 19 Cb 0.00 0.00 -0.04 0.00 -0.01 0.00 0.00 39.48 39.43 1qry n PHE 19 CO 0.00 0.00 0.00 0.95 1.01 0.00 0.00 176.76 178.72 1qry s THR 20 N -0.68 4.23 0.13 4.37 -4.23 -1.26 -4.86 115.64 113.34 1qry s THR 20 Ca 0.00 0.30 0.08 0.00 -1.18 0.00 0.00 61.69 60.89 1qry s THR 20 Cb 0.00 -4.64 0.13 0.00 1.34 0.00 0.00 72.50 69.33 1qry s THR 20 CO 0.00 -1.30 0.55 0.29 -0.54 0.00 0.00 174.62 173.62 1qry n LYS 21 N 7.90 -0.02 -0.00 3.99 4.01 -1.26 0.18 118.16 132.96 1qry n LYS 21 Ca 0.02 0.48 -0.00 0.00 -0.51 0.00 0.00 58.31 58.30 1qry n LYS 21 Cb 0.48 -0.87 -0.00 0.00 -0.51 0.00 0.00 35.03 34.13 1qry n LYS 21 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1qry h ALA 22 N 0.68 -0.35 -2.75 7.82 0.00 -1.97 1.83 119.26 124.51 1qry h ALA 22 Ca 0.30 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.21 1qry h ALA 22 Cb 0.82 0.66 0.00 0.00 0.00 0.00 0.00 17.79 19.27 1qry h ALA 22 CO -0.25 -0.35 0.00 1.04 0.00 0.00 0.00 179.25 179.68 1qry n GLN 23 N -2.70 0.00 -0.16 0.00 6.02 0.47 0.79 117.38 121.81 1qry n GLN 23 Ca -0.00 0.09 0.14 0.00 -0.01 0.00 0.00 57.00 57.22 1qry n GLN 23 Cb 0.00 -0.55 0.25 0.00 1.02 0.00 0.00 30.24 30.97 1qry n GLN 23 CO 0.00 0.00 0.00 2.41 -1.01 0.00 0.00 177.06 178.46 1qry n THR 24 N -0.20 -0.20 0.00 5.09 -1.04 -1.17 0.11 114.28 116.87 1qry n THR 24 Ca 0.00 0.99 0.00 0.00 -2.04 0.00 0.00 64.05 63.00 1qry n THR 24 Cb 0.00 -1.57 0.00 0.00 -1.82 0.00 0.00 70.33 66.94 1qry n THR 24 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1qry n TYR 25 N -4.18 0.00 -0.37 -1.42 9.36 0.62 0.25 117.16 121.42 1qry n TYR 25 Ca 0.17 0.00 -0.08 0.00 3.32 0.00 0.00 57.90 61.31 1qry n TYR 25 Cb 0.57 -0.20 -0.05 0.00 -0.63 0.00 0.00 39.34 39.03 1qry n TYR 25 CO 0.00 0.00 0.00 0.93 0.22 0.00 0.00 176.86 178.01 1qry h GLU 26 N 0.00 -0.05 -0.99 2.98 4.39 0.27 2.83 114.58 124.01 1qry h GLU 26 Ca 0.00 0.00 0.32 0.00 0.34 0.00 0.00 59.36 60.02 1qry h GLU 26 Cb 0.00 0.01 -0.18 0.00 -0.10 0.00 0.00 28.75 28.48 1qry h GLU 26 CO 0.00 -0.03 0.19 1.25 -1.16 0.00 0.00 179.01 179.26 1qry h LEU 27 N -0.05 -0.22 -0.70 1.33 6.46 0.93 2.72 115.31 125.77 1qry h LEU 27 Ca 0.21 0.27 -0.13 0.00 -0.12 0.00 0.00 57.88 58.11 1qry h LEU 27 Cb 0.49 0.42 -0.01 0.00 -0.73 0.00 0.00 40.66 40.83 1qry h LEU 27 CO -0.90 -0.38 -0.45 -0.33 -0.62 0.00 0.00 178.44 175.76 1qry h GLU 28 N 0.01 0.46 -0.05 1.25 5.08 1.97 -2.45 114.58 120.85 1qry h GLU 28 Ca 0.68 -0.25 0.01 0.00 -1.00 0.00 0.00 59.36 58.80 1qry h GLU 28 Cb 1.54 0.01 -0.00 0.00 0.50 0.00 0.00 28.75 30.80 1qry h GLU 28 CO -0.87 0.82 0.04 0.00 -1.00 0.00 0.00 179.01 178.00 1qry h ARG 29 N 0.37 0.00 -0.06 2.33 3.08 0.88 -1.56 114.38 119.42 1qry h ARG 29 Ca 0.03 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.07 1qry h ARG 29 Cb 0.94 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.98 1qry h ARG 29 CO 0.08 0.00 0.01 -0.09 -1.07 0.00 0.00 179.97 178.90 1qry h ARG 30 N 0.00 0.10 -1.00 0.04 1.12 -0.70 -2.84 114.38 111.10 1qry h ARG 30 Ca 0.02 -0.03 0.29 0.00 -1.11 0.00 0.00 59.98 59.16 1qry h ARG 30 Cb 0.10 -0.01 -0.19 0.00 -0.01 0.00 0.00 29.97 29.86 1qry h ARG 30 CO -0.00 0.31 0.09 0.34 -3.11 0.00 0.00 179.97 177.59 1qry n PHE 31 N -4.91 0.70 -0.12 2.20 -0.00 -0.59 0.19 117.46 114.93 1qry n PHE 31 Ca -0.07 1.20 -0.07 0.00 -0.00 0.00 0.00 57.45 58.52 1qry n PHE 31 Cb 0.15 -1.29 0.10 0.00 -0.00 0.00 0.00 39.48 38.44 1qry n PHE 31 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 1qry h ARG 32 N 0.00 0.85 -0.01 -4.13 -0.00 -1.54 -2.28 114.38 107.27 1qry h ARG 32 Ca 0.64 -0.29 0.00 0.00 -0.50 0.00 0.00 59.98 59.83 1qry h ARG 32 Cb 1.37 -0.07 0.00 0.00 0.00 0.00 0.00 29.97 31.27 1qry h ARG 32 CO -0.92 0.91 -0.00 1.04 0.00 0.00 0.00 179.97 181.00 1qry n GLN 33 N -4.16 1.46 -3.60 0.04 1.13 0.50 -4.85 117.38 107.89 1qry n GLN 33 Ca 0.02 -0.67 -0.12 0.00 -1.94 0.00 0.00 57.00 54.28 1qry n GLN 33 Cb 0.37 -1.49 -0.06 0.00 0.11 0.00 0.00 30.24 29.17 1qry n GLN 33 CO 0.00 0.00 0.00 -1.14 -1.44 0.00 0.00 177.06 174.48 1qry s GLN 34 N -2.00 0.72 0.00 -1.09 2.00 0.32 -5.03 119.66 114.58 1qry s GLN 34 Ca 0.41 0.58 0.11 0.00 -2.00 0.00 0.00 55.36 54.46 1qry s GLN 34 Cb 0.21 0.35 0.02 0.00 0.80 0.00 0.00 33.01 34.39 1qry s GLN 34 CO 0.35 -0.14 0.72 2.89 -0.50 0.00 0.00 175.29 178.60 1qry n ARG 35 N 1.86 1.62 -2.74 1.67 1.85 -1.25 -3.82 116.66 115.85 1qry n ARG 35 Ca -0.14 -0.78 -0.09 0.00 -1.00 0.00 0.00 57.85 55.84 1qry n ARG 35 Cb 0.56 -1.14 0.08 0.00 -1.05 0.00 0.00 32.46 30.91 1qry n ARG 35 CO 0.00 0.00 0.00 2.48 -0.01 0.00 0.00 177.63 180.10 1qry n TYR 36 N 0.01 -1.30 -1.09 2.89 0.18 -1.26 -5.11 117.16 111.49 1qry n TYR 36 Ca 0.05 -2.37 -0.42 0.00 1.88 0.00 0.00 57.90 57.04 1qry n TYR 36 Cb 0.24 0.88 -0.06 0.00 -0.38 0.00 0.00 39.34 40.02 1qry n TYR 36 CO 0.00 0.00 0.00 1.28 -2.08 0.00 0.00 176.86 176.06 1qry n LEU 37 N -0.22 0.41 0.00 -3.48 4.32 -1.26 -4.89 117.00 111.88 1qry n LEU 37 Ca 0.04 0.78 0.00 0.00 -0.02 0.00 0.00 56.01 56.82 1qry n LEU 37 Cb 0.80 -0.60 0.00 0.00 -1.62 0.00 0.00 43.42 42.00 1qry n LEU 37 CO 0.06 -0.91 0.00 -1.20 -1.22 0.00 0.00 177.39 174.13 1qry n SER 38 N 1.86 0.00 0.04 -1.43 7.64 -1.26 -4.69 113.62 115.77 1qry n SER 38 Ca 0.17 0.00 -0.09 0.00 1.01 0.00 0.00 58.87 59.96 1qry n SER 38 Cb 0.01 0.00 -0.13 0.00 -1.01 0.00 0.00 64.21 63.07 1qry n SER 38 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1qry h ALA 39 N 0.72 0.47 0.00 -0.43 0.00 -1.98 -1.94 119.26 116.09 1qry h ALA 39 Ca 0.00 -1.12 -0.22 0.00 0.00 0.00 0.00 54.91 53.57 1qry h ALA 39 Cb 0.00 0.13 -0.04 0.00 0.00 0.00 0.00 17.79 17.88 1qry h ALA 39 CO 0.00 1.33 -1.66 -0.35 0.00 0.00 0.00 179.25 178.57 1qry n PRO 40 N -3.27 0.64 0.02 0.00 -0.04 -1.26 -3.67 135.00 127.40 1qry n PRO 40 Ca -0.08 0.19 -0.22 0.00 -0.04 0.00 0.00 63.50 63.35 1qry n PRO 40 Cb 0.99 -1.75 -0.14 0.00 -0.04 0.00 0.00 33.50 32.57 1qry n PRO 40 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 1qry h GLU 41 N 0.00 0.27 0.20 0.54 3.07 -1.93 -3.35 114.58 113.38 1qry h GLU 41 Ca -0.24 -0.46 0.01 0.00 -0.50 0.00 0.00 59.36 58.17 1qry h GLU 41 Cb 1.76 0.17 -0.04 0.00 -0.84 0.00 0.00 28.75 29.80 1qry h GLU 41 CO 0.05 1.22 -0.44 0.00 -1.40 0.00 0.00 179.01 178.44 1qry h ARG 42 N -0.16 -0.70 -1.06 2.33 3.08 -1.54 0.82 114.38 117.15 1qry h ARG 42 Ca -0.34 0.05 0.31 0.00 0.07 0.00 0.00 59.98 60.06 1qry h ARG 42 Cb 1.88 0.16 -0.04 0.00 0.08 0.00 0.00 29.97 32.04 1qry h ARG 42 CO 0.08 -0.47 1.09 0.39 -1.07 0.00 0.00 179.97 179.99 1qry n GLU 43 N -5.48 0.01 -0.02 0.04 -0.58 -1.24 0.41 120.64 113.78 1qry n GLU 43 Ca -0.08 0.89 -0.13 0.00 -0.42 0.00 0.00 57.16 57.42 1qry n GLU 43 Cb 0.40 -2.18 -0.08 0.00 -0.57 0.00 0.00 31.44 29.00 1qry n GLU 43 CO 0.00 0.00 0.00 1.25 -0.48 0.00 0.00 177.13 177.90 1qry h HIS 44 N 0.00 0.11 0.25 -0.32 2.76 0.54 -2.34 115.15 116.15 1qry h HIS 44 Ca 0.50 -0.03 -0.01 0.00 -2.20 0.00 0.00 60.37 58.64 1qry h HIS 44 Cb 2.68 -0.03 -0.00 0.00 1.55 0.00 0.00 27.41 31.61 1qry h HIS 44 CO 0.00 0.45 -0.15 1.25 -1.30 0.00 0.00 177.93 178.18 1qry h LEU 45 N -0.26 -0.39 -0.37 0.26 7.12 0.83 -2.83 115.31 119.68 1qry h LEU 45 Ca 0.01 0.02 0.04 0.00 0.13 0.00 0.00 57.88 58.09 1qry h LEU 45 Cb 0.42 0.11 -0.05 0.00 -0.53 0.00 0.00 40.66 40.61 1qry h LEU 45 CO 0.01 -0.23 -0.18 0.35 -0.13 0.00 0.00 178.44 178.25 1qry n THR 46 N -3.19 -0.23 -0.06 1.05 -2.24 -0.63 0.39 114.28 109.38 1qry n THR 46 Ca -0.05 0.88 -0.14 0.00 -2.27 0.00 0.00 64.05 62.47 1qry n THR 46 Cb 0.16 -1.13 -0.10 0.00 -2.10 0.00 0.00 70.33 67.16 1qry n THR 46 CO 0.00 0.00 0.00 -1.28 -0.57 0.00 0.00 175.07 173.22 1qry h SER 47 N 0.00 -1.74 0.00 3.42 0.87 -1.18 2.11 113.55 117.03 1qry h SER 47 Ca 0.09 0.21 0.00 0.00 -1.23 0.00 0.00 61.79 60.87 1qry h SER 47 Cb 0.19 0.69 0.00 0.00 -0.44 0.00 0.00 62.40 62.84 1qry h SER 47 CO -0.36 -0.44 0.00 0.18 -0.53 0.00 0.00 176.83 175.68 1qry n LEU 48 N -5.33 0.00 -2.18 2.23 4.32 1.26 -3.67 117.00 113.63 1qry n LEU 48 Ca -0.05 0.11 -0.30 0.00 -0.02 0.00 0.00 56.01 55.75 1qry n LEU 48 Cb 0.35 0.00 0.06 0.00 -1.62 0.00 0.00 43.42 42.22 1qry n LEU 48 CO 0.05 0.00 0.94 2.30 -1.22 0.00 0.00 177.39 179.46 1qry n ILE 49 N -0.19 3.18 0.00 -0.08 -0.00 -0.93 -4.97 119.36 116.37 1qry n ILE 49 Ca 0.00 -3.42 0.00 0.00 -0.00 0.00 0.00 62.75 59.33 1qry n ILE 49 Cb 0.00 -1.12 0.00 0.00 -0.00 0.00 0.00 39.64 38.52 1qry n ILE 49 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.55 177.09 1qry n ARG 50 N -0.85 0.00 0.00 6.28 3.00 0.71 -4.75 116.66 121.06 1qry n ARG 50 Ca 0.55 0.00 0.00 0.00 -0.01 0.00 0.00 57.85 58.39 1qry n ARG 50 Cb 0.80 0.00 0.00 0.00 0.00 0.00 0.00 32.46 33.26 1qry n ARG 50 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.63 178.91 1qry n LEU 51 N 0.00 0.00 0.00 0.55 4.77 -1.26 -4.17 117.00 116.88 1qry n LEU 51 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 1qry n LEU 51 Cb 0.00 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 1qry n LEU 51 CO 0.00 0.00 0.00 0.35 -1.33 0.00 0.00 177.39 176.41 1qry n THR 52 N 0.00 0.00 -0.01 -5.08 -2.24 -1.26 -3.16 114.28 102.53 1qry n THR 52 Ca 0.00 0.00 -0.00 0.00 -2.27 0.00 0.00 64.05 61.78 1qry n THR 52 Cb 0.00 0.00 -0.00 0.00 -2.10 0.00 0.00 70.33 68.23 1qry n THR 52 CO 0.00 0.00 0.00 -2.65 -0.57 0.00 0.00 175.07 171.85 1qry n PRO 53 N 0.00 -0.01 -0.11 -0.78 -0.02 -1.26 0.37 135.00 133.19 1qry n PRO 53 Ca 0.00 0.62 -0.12 0.00 -2.02 0.00 0.00 63.50 61.98 1qry n PRO 53 Cb 0.00 -0.92 -0.07 0.00 -0.02 0.00 0.00 33.50 32.49 1qry n PRO 53 CO 0.00 0.00 0.00 1.15 1.98 0.00 0.00 175.50 178.63 1qry h THR 54 N 0.00 0.07 -1.58 3.45 2.02 -1.92 1.11 112.91 116.04 1qry h THR 54 Ca 0.00 0.00 0.49 0.00 0.77 0.00 0.00 66.41 67.67 1qry h THR 54 Cb 0.01 0.07 -0.10 0.00 -1.74 0.00 0.00 68.15 66.38 1qry h THR 54 CO -0.02 0.00 1.09 1.56 0.37 0.00 0.00 175.52 178.51 1qry h GLN 55 N -0.39 0.03 0.02 6.66 1.08 -0.29 1.18 115.11 123.41 1qry h GLN 55 Ca 0.10 -0.00 -0.00 0.00 -1.45 0.00 0.00 58.65 57.30 1qry h GLN 55 Cb 0.60 -0.01 0.00 0.00 -0.05 0.00 0.00 27.48 28.03 1qry h GLN 55 CO -0.56 0.02 -0.01 0.28 -0.95 0.00 0.00 178.83 177.61 1qry h VAL 56 N 0.03 1.22 0.82 -0.54 2.07 0.34 -2.10 116.25 118.09 1qry h VAL 56 Ca 0.86 -0.74 -0.04 0.00 0.82 0.00 0.00 66.70 67.60 1qry h VAL 56 Cb 3.08 1.71 0.01 0.00 -1.52 0.00 0.00 31.29 34.57 1qry h VAL 56 CO -0.23 0.19 -0.39 0.50 0.02 0.00 0.00 177.57 177.65 1qry h LYS 57 N -0.35 -1.06 -1.33 1.57 3.64 0.19 -1.45 116.57 117.78 1qry h LYS 57 Ca -0.00 0.07 0.39 0.00 -1.27 0.00 0.00 60.65 59.84 1qry h LYS 57 Cb 0.33 0.24 -0.08 0.00 -0.41 0.00 0.00 32.23 32.31 1qry h LYS 57 CO 0.00 -0.71 0.92 0.82 -2.27 0.00 0.00 179.45 178.22 1qry h ILE 58 N -1.11 0.30 -0.10 2.00 1.08 -1.10 0.62 117.51 119.20 1qry h ILE 58 Ca -0.11 -0.03 -0.05 0.00 -0.39 0.00 0.00 64.86 64.28 1qry h ILE 58 Cb 0.84 0.19 -0.00 0.00 -3.07 0.00 0.00 36.82 34.78 1qry h ILE 58 CO 0.18 0.02 -0.11 -0.25 -0.69 0.00 0.00 178.15 177.30 1qry h TRP 59 N 0.10 0.31 -0.40 1.37 7.01 -0.57 -3.25 115.95 120.52 1qry h TRP 59 Ca 0.69 -0.10 0.06 0.00 2.11 0.00 0.00 58.89 61.66 1qry h TRP 59 Cb 2.46 -0.06 -0.09 0.00 -2.10 0.00 0.00 29.16 29.36 1qry h TRP 59 CO -0.00 0.69 -0.46 0.74 -2.79 0.00 0.00 178.44 176.61 1qry h PHE 60 N -0.16 -1.37 0.00 2.65 -1.00 0.11 -2.81 116.94 114.35 1qry h PHE 60 Ca 0.01 0.07 0.00 0.00 2.81 0.00 0.00 57.97 60.87 1qry h PHE 60 Cb 0.64 0.65 0.00 0.00 3.61 0.00 0.00 35.95 40.86 1qry h PHE 60 CO 0.09 -0.46 0.00 0.94 -1.61 0.00 0.00 178.31 177.27 1qry n GLN 61 N -5.41 0.00 -0.36 1.51 7.27 -1.02 0.46 117.38 119.84 1qry n GLN 61 Ca -0.01 0.34 0.30 0.00 0.07 0.00 0.00 57.00 57.69 1qry n GLN 61 Cb 0.35 -0.60 0.56 0.00 2.41 0.00 0.00 30.24 32.97 1qry n GLN 61 CO 0.00 0.00 0.00 -0.97 0.07 0.00 0.00 177.06 176.16 1qry h ASN 62 N 0.00 0.38 0.00 1.69 -1.24 -1.65 -1.05 115.58 113.71 1qry h ASN 62 Ca 0.00 0.20 -0.08 0.00 0.71 0.00 0.00 56.30 57.13 1qry h ASN 62 Cb 0.00 0.18 -0.01 0.00 0.73 0.00 0.00 38.32 39.21 1qry h ASN 62 CO 0.00 -0.24 -0.46 0.45 -1.29 0.00 0.00 177.43 175.88 1qry h HIS 63 N 0.16 0.00 -0.62 0.67 3.86 0.39 -3.29 115.15 116.32 1qry h HIS 63 Ca 0.79 0.00 0.23 0.00 -1.16 0.00 0.00 60.37 60.23 1qry h HIS 63 Cb 2.10 0.00 -0.11 0.00 1.06 0.00 0.00 27.41 30.45 1qry h HIS 63 CO -0.01 1.00 0.23 -2.13 0.86 0.00 0.00 177.93 177.88 1qry n ARG 64 N -4.57 -0.04 -0.03 2.45 0.00 1.66 0.17 116.66 116.30 1qry n ARG 64 Ca -0.16 0.89 -0.14 0.00 -0.00 0.00 0.00 57.85 58.43 1qry n ARG 64 Cb 0.49 -1.53 -0.10 0.00 0.00 0.00 0.00 32.46 31.32 1qry n ARG 64 CO 0.00 0.00 0.00 -0.92 0.00 0.00 0.00 177.63 176.71 1qry h TYR 65 N 0.00 0.26 0.11 -0.14 3.20 -1.61 -3.32 116.97 115.46 1qry h TYR 65 Ca 0.48 -0.11 -0.19 0.00 3.14 0.00 0.00 58.73 62.05 1qry h TYR 65 Cb 1.19 -0.04 0.02 0.00 1.54 0.00 0.00 36.73 39.44 1qry h TYR 65 CO -0.11 0.81 -0.79 0.87 -1.64 0.00 0.00 178.16 177.29 1qry h LYS 66 N -0.37 0.35 0.00 1.82 1.57 0.11 -3.12 116.57 116.93 1qry h LYS 66 Ca -0.01 -0.52 0.00 0.00 -1.87 0.00 0.00 60.65 58.25 1qry h LYS 66 Cb 0.83 0.18 0.00 0.00 0.08 0.00 0.00 32.23 33.32 1qry h LYS 66 CO 0.04 1.22 0.64 0.25 -0.57 0.00 0.00 179.45 181.02 1qry n THR 67 N -4.12 0.14 0.04 -0.16 -2.24 0.45 0.31 114.28 108.70 1qry n THR 67 Ca -0.13 0.74 -0.19 0.00 -2.27 0.00 0.00 64.05 62.20 1qry n THR 67 Cb 0.80 -1.74 -0.14 0.00 -2.10 0.00 0.00 70.33 67.14 1qry n THR 67 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 1qry h LYS 68 N 0.00 0.27 0.00 -0.78 1.57 -1.64 -3.33 116.57 112.67 1qry h LYS 68 Ca 0.00 -0.47 -0.14 0.00 -1.87 0.00 0.00 60.65 58.17 1qry h LYS 68 Cb 1.28 0.17 -0.02 0.00 0.08 0.00 0.00 32.23 33.74 1qry h LYS 68 CO 0.00 1.14 -0.69 0.00 -0.57 0.00 0.00 179.45 179.34 1qry h ARG 69 N 0.07 0.00 0.00 3.15 -0.00 0.48 -3.15 114.38 114.93 1qry h ARG 69 Ca -0.33 0.00 -0.03 0.00 -0.50 0.00 0.00 59.98 59.12 1qry h ARG 69 Cb 2.05 0.00 -0.00 0.00 0.00 0.00 0.00 29.97 32.01 1qry h ARG 69 CO 0.14 0.69 -0.15 0.00 0.00 0.00 0.00 179.97 180.65 1qry h ALA 70 N 1.31 1.58 0.00 0.04 0.00 -1.13 -0.92 119.26 120.14 1qry h ALA 70 Ca -0.01 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.77 1qry h ALA 70 Cb 1.48 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.24 1qry h ALA 70 CO 0.09 0.18 0.00 1.96 0.00 0.00 0.00 179.25 181.48 1qry h GLN 71 N 0.00 0.00 -0.05 0.00 1.08 -1.65 -2.12 115.11 112.37 1qry h GLN 71 Ca -0.00 0.00 -0.16 0.00 -1.45 0.00 0.00 58.65 57.03 1qry h GLN 71 Cb 0.29 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.71 1qry h GLN 71 CO 0.02 0.00 -0.70 -0.97 -0.95 0.00 0.00 178.83 176.23 1qry h ASN 72 N 0.00 0.28 -0.28 1.46 -1.24 -1.33 -2.42 115.58 112.05 1qry h ASN 72 Ca 0.00 -0.18 -0.09 0.00 0.71 0.00 0.00 56.30 56.74 1qry h ASN 72 Cb 0.26 -0.08 -0.05 0.00 0.73 0.00 0.00 38.32 39.18 1qry h ASN 72 CO 0.00 0.89 0.11 -0.62 -1.29 0.00 0.00 177.43 176.52 1qry n GLU 73 N -3.80 2.00 0.00 6.67 -0.58 -0.80 -4.52 120.64 119.61 1qry n GLU 73 Ca -0.03 -1.14 0.00 0.00 -0.42 0.00 0.00 57.16 55.57 1qry n GLU 73 Cb 0.68 -1.63 0.00 0.00 -0.57 0.00 0.00 31.44 29.92 1qry n GLU 73 CO 0.00 0.00 0.00 1.17 -0.48 0.00 0.00 177.13 177.82 1qry n LYS 74 N 0.08 0.00 0.00 3.49 4.81 -0.91 -4.94 118.16 120.69 1qry n LYS 74 Ca 0.16 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.60 1qry n LYS 74 Cb 0.75 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.80 1qry n LYS 74 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1qry n GLY 75 N 0.00 -0.20 0.00 3.14 0.00 -1.26 -3.34 105.19 103.53 1qry n GLY 75 Ca 0.00 0.04 0.00 0.00 0.00 0.00 0.00 46.02 46.06 1qry n GLY 75 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1qry n TYR 76 N 0.00 0.00 0.09 1.61 4.01 -1.26 -4.98 117.16 116.62 1qry n TYR 76 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.74 1qry n TYR 76 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.03 1qry n TYR 76 CO 0.00 0.00 0.00 0.39 -0.46 0.00 0.00 176.86 176.79 1qry n GLU 77 N -1.67 0.00 0.00 -0.72 -0.58 -1.26 -5.04 120.64 111.37 1qry n GLU 77 Ca 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.74 1qry n GLU 77 Cb 0.37 -0.09 0.00 0.00 -0.57 0.00 0.00 31.44 31.15 1qry n GLU 77 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1qry n GLY 78 N 2.01 0.04 3.57 0.62 0.00 -1.26 -5.08 105.19 105.10 1qry n GLY 78 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 1qry n GLY 78 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1qry s HIS 79 N 0.00 3.05 0.00 1.61 3.76 -1.26 -4.70 115.29 117.75 1qry s HIS 79 Ca 0.00 -0.07 0.00 0.00 -0.15 0.00 0.00 55.06 54.84 1qry s HIS 79 Cb 0.00 -1.86 0.00 0.00 1.11 0.00 0.00 32.58 31.83 1qry s HIS 79 CO 0.00 0.20 0.00 -2.30 -0.85 0.00 0.00 174.74 171.79