#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 0.00 -3.85 1.61 3.41 -1.26 -4.83 113.62 108.70 1qry n SER 2 Ca 0.00 0.00 -0.30 0.00 -0.26 0.00 0.00 58.87 58.31 1qry n SER 2 Cb 0.00 0.00 0.01 0.00 -0.26 0.00 0.00 64.21 63.96 1qry n SER 2 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 1qry n HIS 3 N 1.91 -1.76 0.00 7.33 -0.00 -1.26 -4.19 115.22 117.25 1qry n HIS 3 Ca 0.00 0.58 0.00 0.00 -0.00 0.00 0.00 57.72 58.30 1qry n HIS 3 Cb 0.00 -2.64 0.00 0.00 -0.00 0.00 0.00 29.99 27.35 1qry n HIS 3 CO 0.00 0.00 0.00 -1.33 -0.00 0.00 0.00 176.34 175.01 1qry n MET 4 N -3.25 0.00 -2.78 -0.41 2.00 -1.26 -4.30 117.12 107.12 1qry n MET 4 Ca -0.26 0.00 -0.03 0.00 0.00 0.00 0.00 57.70 57.42 1qry n MET 4 Cb 0.64 0.00 0.02 0.00 0.00 0.00 0.00 33.22 33.87 1qry n MET 4 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 175.97 174.43 1qry s SER 5 N -4.00 -0.97 0.00 7.83 1.04 -1.26 -4.99 113.70 111.35 1qry s SER 5 Ca 0.00 -1.03 0.00 0.00 0.48 0.00 0.00 55.95 55.40 1qry s SER 5 Cb 0.00 1.27 0.00 0.00 0.10 0.00 0.00 66.02 67.39 1qry s SER 5 CO 0.00 -0.05 0.00 0.47 0.98 0.00 0.00 173.24 174.64 1qry n ASP 6 N 3.05 0.00 0.00 7.02 8.00 -1.26 -4.94 116.55 128.43 1qry n ASP 6 Ca 0.14 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.64 1qry n ASP 6 Cb 0.60 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.70 1qry n ASP 6 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1qry n GLY 7 N 5.00 2.08 2.99 0.44 0.00 -1.26 -4.79 105.19 109.65 1qry n GLY 7 Ca 0.00 -0.45 -0.31 0.00 0.00 0.00 0.00 46.02 45.27 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 0.00 4.25 -0.17 0.99 1.43 -1.26 -4.95 118.68 118.98 1qry s LEU 8 Ca 0.00 -1.99 -0.15 0.00 -1.03 0.00 0.00 54.13 50.96 1qry s LEU 8 Cb 0.00 -1.51 -0.22 0.00 0.03 0.00 0.00 46.19 44.48 1qry s LEU 8 CO 0.00 -0.36 0.30 1.55 0.23 0.00 0.00 176.35 178.06 1qry h PRO 9 N 7.70 0.12 0.00 1.29 0.13 -1.97 -3.44 132.00 135.84 1qry h PRO 9 Ca -0.07 -0.21 0.00 0.00 -0.87 0.00 0.00 66.00 64.85 1qry h PRO 9 Cb 1.02 0.08 0.00 0.00 0.13 0.00 0.00 31.00 32.23 1qry h PRO 9 CO 0.50 1.10 -0.02 -1.71 -0.23 0.00 0.00 178.00 177.65 1qry n ASN 10 N -4.02 0.10 -3.00 1.44 5.15 -1.26 -5.08 115.26 108.58 1qry n ASN 10 Ca -0.32 -0.05 -0.13 0.00 -0.60 0.00 0.00 54.58 53.48 1qry n ASN 10 Cb 0.84 0.12 0.01 0.00 -0.53 0.00 0.00 39.78 40.23 1qry n ASN 10 CO 0.00 0.00 0.00 1.17 1.40 0.00 0.00 177.26 179.83 1qry n LYS 11 N -0.13 -2.33 -2.21 1.20 3.00 -1.26 -4.75 118.16 111.68 1qry n LYS 11 Ca 0.00 1.99 -0.41 0.00 -0.00 0.00 0.00 58.31 59.89 1qry n LYS 11 Cb 0.00 -4.40 -0.01 0.00 0.00 0.00 0.00 35.03 30.62 1qry n LYS 11 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.40 179.03 1qry n LYS 12 N 0.07 2.85 -2.75 1.64 5.02 -1.26 -4.75 118.16 118.97 1qry n LYS 12 Ca 0.04 -2.93 -0.33 0.00 -2.02 0.00 0.00 58.31 53.07 1qry n LYS 12 Cb 0.42 -3.43 -0.01 0.00 -0.02 0.00 0.00 35.03 31.99 1qry n LYS 12 CO 0.00 0.00 0.00 -2.13 -0.52 0.00 0.00 177.40 174.75 1qry n ARG 13 N 7.67 4.02 -0.00 1.97 0.63 -1.26 -4.79 116.66 124.89 1qry n ARG 13 Ca 0.49 -4.71 -0.00 0.00 -0.92 0.00 0.00 57.85 52.72 1qry n ARG 13 Cb 0.44 -2.32 -0.00 0.00 0.45 0.00 0.00 32.46 31.02 1qry n ARG 13 CO 0.00 0.00 0.00 1.63 -2.51 0.00 0.00 177.63 176.75 1qry n LYS 14 N -0.21 0.01 -1.51 -0.14 4.76 -1.26 -5.10 118.16 114.70 1qry n LYS 14 Ca 0.38 0.00 -0.00 0.00 -2.87 0.00 0.00 58.31 55.83 1qry n LYS 14 Cb 0.36 -0.52 -0.00 0.00 -1.84 0.00 0.00 35.03 33.03 1qry n LYS 14 CO 0.00 0.00 0.00 -2.13 -1.37 0.00 0.00 177.40 173.90 1qry n ARG 15 N -2.54 -0.04 -2.75 1.97 0.63 -1.26 -5.01 116.66 107.66 1qry n ARG 15 Ca -0.00 0.53 -0.36 0.00 -0.92 0.00 0.00 57.85 57.09 1qry n ARG 15 Cb 0.01 -1.04 -0.06 0.00 0.45 0.00 0.00 32.46 31.81 1qry n ARG 15 CO 0.00 0.00 0.00 0.50 -2.51 0.00 0.00 177.63 175.62 1qry s ARG 16 N -0.23 4.48 -0.01 -0.14 3.52 -1.26 -5.05 118.95 120.26 1qry s ARG 16 Ca -0.00 1.32 -0.28 0.00 -0.13 0.00 0.00 55.73 56.64 1qry s ARG 16 Cb 0.00 -2.68 0.09 0.00 -1.56 0.00 0.00 34.95 30.80 1qry s ARG 16 CO 0.01 0.18 0.81 0.08 -0.81 0.00 0.00 175.30 175.57 1qry s VAL 17 N -1.70 0.00 0.00 7.11 1.01 -1.26 -5.17 120.40 120.39 1qry s VAL 17 Ca 0.53 0.00 0.00 0.00 0.00 0.00 0.00 61.98 62.51 1qry s VAL 17 Cb -0.18 -1.00 0.00 0.00 0.00 0.00 0.00 36.38 35.20 1qry s VAL 17 CO 0.23 0.00 0.00 0.18 0.00 0.00 0.00 175.10 175.51 1qry n LEU 18 N 0.13 0.00 0.00 3.92 4.77 -1.26 -5.16 117.00 119.40 1qry n LEU 18 Ca -0.13 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.85 1qry n LEU 18 Cb 0.61 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.70 1qry n LEU 18 CO 0.14 0.00 0.00 0.49 -1.33 0.00 0.00 177.39 176.69 1qry n PHE 19 N 0.00 0.00 -1.65 -1.77 3.72 -1.26 -4.94 117.46 111.56 1qry n PHE 19 Ca 0.00 0.00 -0.49 0.00 -0.05 0.00 0.00 57.45 56.91 1qry n PHE 19 Cb 0.00 0.00 -0.05 0.00 -0.94 0.00 0.00 39.48 38.49 1qry n PHE 19 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 176.76 176.96 1qry n THR 20 N -0.03 0.09 0.20 4.37 -2.24 -1.26 -4.65 114.28 110.76 1qry n THR 20 Ca 0.00 -0.02 0.03 0.00 -2.27 0.00 0.00 64.05 61.79 1qry n THR 20 Cb 0.00 -1.31 0.15 0.00 -2.10 0.00 0.00 70.33 67.07 1qry n THR 20 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 1qry h LYS 21 N 5.92 0.00 0.05 -0.78 6.56 -1.99 0.25 116.57 126.58 1qry h LYS 21 Ca -0.46 0.00 -0.00 0.00 -1.06 0.00 0.00 60.65 59.12 1qry h LYS 21 Cb 1.29 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.95 1qry h LYS 21 CO 0.86 0.00 -0.02 0.00 -2.06 0.00 0.00 179.45 178.23 1qry h ALA 22 N 0.41 -0.35 -2.80 3.86 0.00 -1.98 -2.05 119.26 116.36 1qry h ALA 22 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1qry h ALA 22 Cb 1.28 0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.09 1qry h ALA 22 CO 0.00 -0.35 0.00 1.04 0.00 0.00 0.00 179.25 179.94 1qry n GLN 23 N -2.47 0.00 -0.28 0.00 6.02 0.87 0.17 117.38 121.70 1qry n GLN 23 Ca -0.01 0.40 0.24 0.00 -0.01 0.00 0.00 57.00 57.62 1qry n GLN 23 Cb 0.03 -0.86 0.41 0.00 1.02 0.00 0.00 30.24 30.84 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 -0.82 -0.17 0.00 5.09 -1.04 -1.14 0.15 114.28 116.34 1qry n THR 24 Ca 0.00 1.14 0.00 0.00 -2.04 0.00 0.00 64.05 63.15 1qry n THR 24 Cb 0.00 -1.87 0.00 0.00 -1.82 0.00 0.00 70.33 66.64 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 -3.99 0.00 -0.32 -1.42 9.36 0.45 0.48 117.16 121.72 1qry n TYR 25 Ca 0.25 0.00 -0.00 0.00 3.32 0.00 0.00 57.90 61.46 1qry n TYR 25 Cb 0.95 -0.13 0.06 0.00 -0.63 0.00 0.00 39.34 39.58 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 -0.04 -0.98 2.98 4.39 0.12 4.03 114.58 125.09 1qry h GLU 26 Ca 0.00 0.00 0.28 0.00 0.34 0.00 0.00 59.36 59.98 1qry h GLU 26 Cb 0.00 0.01 -0.04 0.00 -0.10 0.00 0.00 28.75 28.61 1qry h GLU 26 CO 0.00 -0.02 0.70 1.25 -1.16 0.00 0.00 179.01 179.77 1qry h LEU 27 N -0.04 0.06 0.00 1.33 5.85 0.13 1.10 115.31 123.74 1qry h LEU 27 Ca 0.35 0.01 -0.22 0.00 0.84 0.00 0.00 57.88 58.85 1qry h LEU 27 Cb 0.61 -0.00 -0.03 0.00 0.37 0.00 0.00 40.66 41.60 1qry h LEU 27 CO -0.90 0.02 -1.18 -0.33 -0.34 0.00 0.00 178.44 175.70 1qry h GLU 28 N 0.05 0.00 0.30 1.25 4.39 1.27 -3.29 114.58 118.55 1qry h GLU 28 Ca 0.48 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 60.16 1qry h GLU 28 Cb 1.81 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.46 1qry h GLU 28 CO -0.04 0.77 -0.14 0.00 -1.16 0.00 0.00 179.01 178.44 1qry h ARG 29 N 0.00 -0.38 -0.90 2.33 3.08 0.58 -2.72 114.38 116.36 1qry h ARG 29 Ca -0.10 0.03 0.23 0.00 0.07 0.00 0.00 59.98 60.21 1qry h ARG 29 Cb 1.80 0.09 -0.13 0.00 0.08 0.00 0.00 29.97 31.80 1qry h ARG 29 CO 0.11 -0.11 0.37 -0.09 -1.07 0.00 0.00 179.97 179.17 1qry h ARG 30 N -0.63 0.33 -0.58 0.04 1.12 -1.28 1.11 114.38 114.48 1qry h ARG 30 Ca -0.04 -0.02 0.17 0.00 -1.11 0.00 0.00 59.98 58.98 1qry h ARG 30 Cb 0.45 -0.07 -0.02 0.00 -0.01 0.00 0.00 29.97 30.31 1qry h ARG 30 CO 0.07 0.22 0.77 0.35 -3.11 0.00 0.00 179.97 178.26 1qry h PHE 31 N 0.34 0.00 0.12 2.20 3.04 -1.55 0.33 116.94 121.42 1qry h PHE 31 Ca 0.57 0.00 -0.01 0.00 3.98 0.00 0.00 57.97 62.52 1qry h PHE 31 Cb 1.13 0.00 0.00 0.00 2.56 0.00 0.00 35.95 39.64 1qry h PHE 31 CO -0.16 0.00 -0.06 0.00 -2.02 0.00 0.00 178.31 176.07 1qry h ARG 32 N 0.00 -0.15 0.00 1.11 3.08 0.12 -3.17 114.38 115.36 1qry h ARG 32 Ca 0.28 0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.34 1qry h ARG 32 Cb 1.81 0.04 0.00 0.00 0.08 0.00 0.00 29.97 31.89 1qry h ARG 32 CO -0.00 -0.10 0.00 1.96 -1.07 0.00 0.00 179.97 180.75 1qry h GLN 33 N -0.22 0.00 -4.53 0.04 4.20 -1.46 -3.39 115.11 109.75 1qry h GLN 33 Ca -0.02 0.00 -0.61 0.00 0.06 0.00 0.00 58.65 58.09 1qry h GLN 33 Cb 0.12 0.00 -0.37 0.00 0.30 0.00 0.00 27.48 27.53 1qry h GLN 33 CO 0.03 0.00 -0.81 -0.65 -0.67 0.00 0.00 178.83 176.73 1qry s GLN 34 N -3.45 1.97 0.17 1.46 1.11 0.11 -4.99 119.66 116.05 1qry s GLN 34 Ca 0.02 -0.78 -0.04 0.00 0.01 0.00 0.00 55.36 54.57 1qry s GLN 34 Cb 0.09 -2.34 0.06 0.00 -1.01 0.00 0.00 33.01 29.81 1qry s GLN 34 CO 0.39 -0.41 1.46 0.07 0.01 0.00 0.00 175.29 176.82 1qry h ARG 35 N 8.00 0.58 -0.78 2.91 0.11 -1.77 -3.34 114.38 120.10 1qry h ARG 35 Ca -0.28 -0.39 -0.32 0.00 0.10 0.00 0.00 59.98 59.09 1qry h ARG 35 Cb 1.10 0.06 -0.38 0.00 1.11 0.00 0.00 29.97 31.85 1qry h ARG 35 CO 0.47 1.01 -1.12 2.48 0.10 0.00 0.00 179.97 182.91 1qry n TYR 36 N -3.94 0.96 0.00 4.08 0.18 -1.26 -5.00 117.16 112.19 1qry n TYR 36 Ca -0.04 -2.55 0.00 0.00 1.88 0.00 0.00 57.90 57.19 1qry n TYR 36 Cb 0.64 -0.22 0.00 0.00 -0.38 0.00 0.00 39.34 39.38 1qry n TYR 36 CO 0.00 0.00 0.00 -0.11 -2.08 0.00 0.00 176.86 174.67 1qry n LEU 37 N -0.26 0.00 0.00 -3.48 7.94 -1.26 -4.95 117.00 115.00 1qry n LEU 37 Ca 0.07 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.97 1qry n LEU 37 Cb 0.82 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.77 1qry n LEU 37 CO 0.19 0.00 0.00 -0.24 -1.11 0.00 0.00 177.39 176.23 1qry n SER 38 N -0.15 0.00 -0.14 1.96 2.88 -1.26 -4.75 113.62 112.15 1qry n SER 38 Ca 0.00 0.00 -0.04 0.00 -1.33 0.00 0.00 58.87 57.50 1qry n SER 38 Cb 0.00 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 63.43 1qry n SER 38 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1qry n ALA 39 N -1.53 -0.21 0.24 -1.46 0.00 -1.26 0.53 120.51 116.81 1qry n ALA 39 Ca 0.00 0.29 0.09 0.00 0.00 0.00 0.00 53.44 53.82 1qry n ALA 39 Cb 0.00 -0.05 0.59 0.00 0.00 0.00 0.00 19.45 19.99 1qry n ALA 39 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 1qry h PRO 40 N 0.00 0.00 0.00 0.00 0.13 -2.01 -2.24 132.00 127.88 1qry h PRO 40 Ca 0.06 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 65.13 1qry h PRO 40 Cb 0.14 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.26 1qry h PRO 40 CO -0.32 0.18 -0.52 0.93 -0.23 0.00 0.00 178.00 178.04 1qry h GLU 41 N 0.00 0.00 -0.96 0.86 3.07 1.31 -3.35 114.58 115.50 1qry h GLU 41 Ca -0.00 0.00 0.18 0.00 -0.50 0.00 0.00 59.36 59.04 1qry h GLU 41 Cb 0.39 0.00 -0.18 0.00 -0.84 0.00 0.00 28.75 28.12 1qry h GLU 41 CO 0.02 0.38 -0.27 0.54 -1.40 0.00 0.00 179.01 178.28 1qry n ARG 42 N -4.61 -0.12 -0.30 2.33 1.74 0.76 0.17 116.66 116.64 1qry n ARG 42 Ca -0.12 1.49 -0.01 0.00 -0.77 0.00 0.00 57.85 58.44 1qry n ARG 42 Cb 0.34 -2.23 0.03 0.00 -1.02 0.00 0.00 32.46 29.58 1qry n ARG 42 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 1qry n GLU 43 N -5.53 -0.18 -0.30 5.56 -0.58 -0.85 0.29 120.64 119.05 1qry n GLU 43 Ca 0.14 1.19 0.10 0.00 -0.42 0.00 0.00 57.16 58.17 1qry n GLU 43 Cb 0.46 -1.77 0.26 0.00 -0.57 0.00 0.00 31.44 29.83 1qry n GLU 43 CO 0.00 0.00 0.00 0.45 -0.48 0.00 0.00 177.13 177.10 1qry h HIS 44 N 0.00 0.73 0.36 -0.32 3.86 0.15 -0.38 115.15 119.56 1qry h HIS 44 Ca 0.27 0.04 -0.02 0.00 -1.16 0.00 0.00 60.37 59.50 1qry h HIS 44 Cb 0.46 -0.19 0.00 0.00 1.06 0.00 0.00 27.41 28.74 1qry h HIS 44 CO -0.68 0.09 -0.17 1.25 0.86 0.00 0.00 177.93 179.28 1qry h LEU 45 N 0.54 -0.41 -0.07 2.43 7.12 0.45 -2.93 115.31 122.43 1qry h LEU 45 Ca 0.51 0.01 0.00 0.00 0.13 0.00 0.00 57.88 58.53 1qry h LEU 45 Cb 0.84 0.11 0.00 0.00 -0.53 0.00 0.00 40.66 41.07 1qry h LEU 45 CO -0.43 -0.07 0.64 0.35 -0.13 0.00 0.00 178.44 178.80 1qry n THR 46 N -4.56 0.09 -0.08 1.05 -2.24 0.18 0.39 114.28 109.10 1qry n THR 46 Ca -0.06 0.68 -0.20 0.00 -2.27 0.00 0.00 64.05 62.20 1qry n THR 46 Cb 0.19 -1.68 -0.12 0.00 -2.10 0.00 0.00 70.33 66.62 1qry n THR 46 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 1qry h SER 47 N 0.00 0.05 0.00 3.42 4.64 -0.92 -3.21 113.55 117.53 1qry h SER 47 Ca 0.00 -0.67 0.00 0.00 -0.47 0.00 0.00 61.79 60.65 1qry h SER 47 Cb 1.27 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 63.35 1qry h SER 47 CO 0.00 1.40 0.00 0.18 -0.87 0.00 0.00 176.83 177.54 1qry n LEU 48 N -4.40 0.00 -1.85 5.97 4.32 1.26 -3.99 117.00 118.31 1qry n LEU 48 Ca -0.26 0.00 -0.17 0.00 -0.02 0.00 0.00 56.01 55.56 1qry n LEU 48 Cb 0.67 0.00 0.13 0.00 -1.62 0.00 0.00 43.42 42.59 1qry n LEU 48 CO 0.25 0.00 1.05 2.30 -1.22 0.00 0.00 177.39 179.77 1qry n ILE 49 N 0.00 2.53 0.00 -0.08 -0.00 -1.12 -4.88 119.36 115.81 1qry n ILE 49 Ca 0.00 -1.33 0.00 0.00 -0.00 0.00 0.00 62.75 61.42 1qry n ILE 49 Cb 0.00 -0.63 0.00 0.00 -0.00 0.00 0.00 39.64 39.01 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 -0.64 0.00 -1.39 6.28 1.74 -1.21 -4.77 116.66 116.66 1qry n ARG 50 Ca 0.42 0.00 -0.50 0.00 -0.77 0.00 0.00 57.85 57.00 1qry n ARG 50 Cb 1.32 -1.18 -0.14 0.00 -1.02 0.00 0.00 32.46 31.44 1qry n ARG 50 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 1qry n LEU 51 N 0.00 0.50 -3.76 0.55 4.77 -1.26 -4.65 117.00 113.15 1qry n LEU 51 Ca 0.00 0.41 -0.39 0.00 -0.03 0.00 0.00 56.01 56.00 1qry n LEU 51 Cb 0.00 -0.91 -0.01 0.00 -2.33 0.00 0.00 43.42 40.17 1qry n LEU 51 CO 0.00 -0.74 -0.22 0.35 -1.33 0.00 0.00 177.39 175.45 1qry n THR 52 N 7.05 1.05 0.00 -5.08 -2.24 -1.26 -4.27 114.28 109.53 1qry n THR 52 Ca 0.61 -0.43 0.00 0.00 -2.27 0.00 0.00 64.05 61.96 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 1.04 0.00 -0.38 -0.78 -0.02 -1.26 0.11 135.00 133.71 1qry n PRO 53 Ca 0.12 0.23 -0.03 0.00 -2.02 0.00 0.00 63.50 61.80 1qry n PRO 53 Cb 0.29 -0.66 0.02 0.00 -0.02 0.00 0.00 33.50 33.12 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 0.01 -1.29 3.45 2.02 -1.99 2.92 112.91 118.03 1qry h THR 54 Ca 0.00 0.00 0.38 0.00 0.77 0.00 0.00 66.41 67.56 1qry h THR 54 Cb 0.00 0.01 -0.08 0.00 -1.74 0.00 0.00 68.15 66.35 1qry h THR 54 CO 0.00 0.00 0.90 -0.61 0.37 0.00 0.00 175.52 176.18 1qry h GLN 55 N -0.02 0.10 -0.00 6.66 5.75 -1.59 0.50 115.11 126.51 1qry h GLN 55 Ca 0.31 -0.01 -0.00 0.00 -0.15 0.00 0.00 58.65 58.80 1qry h GLN 55 Cb 0.57 -0.02 0.00 0.00 1.07 0.00 0.00 27.48 29.09 1qry h GLN 55 CO -0.96 0.07 -0.00 0.28 -2.65 0.00 0.00 178.83 175.56 1qry h VAL 56 N 0.10 1.59 -0.92 2.39 2.07 0.93 -2.72 116.25 119.69 1qry h VAL 56 Ca 0.67 -1.75 0.01 0.00 0.82 0.00 0.00 66.70 66.45 1qry h VAL 56 Cb 2.37 2.78 -0.05 0.00 -1.52 0.00 0.00 31.29 34.88 1qry h VAL 56 CO -0.14 0.45 0.60 0.50 0.02 0.00 0.00 177.57 179.00 1qry h LYS 57 N -0.74 1.22 -0.74 1.57 3.64 0.12 -2.32 116.57 119.33 1qry h LYS 57 Ca -0.00 -0.08 -0.06 0.00 -1.27 0.00 0.00 60.65 59.23 1qry h LYS 57 Cb 0.75 -0.27 -0.03 0.00 -0.41 0.00 0.00 32.23 32.26 1qry h LYS 57 CO 0.00 0.82 0.21 0.82 -2.27 0.00 0.00 179.45 179.03 1qry h ILE 58 N 1.26 1.26 0.12 2.00 1.08 -0.31 -2.96 117.51 119.95 1qry h ILE 58 Ca 0.34 -0.94 0.01 0.00 -0.39 0.00 0.00 64.86 63.88 1qry h ILE 58 Cb -0.12 0.47 -0.03 0.00 -3.07 0.00 0.00 36.82 34.07 1qry h ILE 58 CO -0.07 0.37 -0.20 -0.25 -0.69 0.00 0.00 178.15 177.31 1qry h TRP 59 N 1.11 -0.53 -0.98 1.37 7.01 -1.09 -2.09 115.95 120.76 1qry h TRP 59 Ca 0.24 0.01 0.19 0.00 2.11 0.00 0.00 58.89 61.44 1qry h TRP 59 Cb 0.34 0.22 -0.18 0.00 -2.10 0.00 0.00 29.16 27.43 1qry h TRP 59 CO 0.03 -0.29 -0.25 0.74 -2.79 0.00 0.00 178.44 175.88 1qry h PHE 60 N -0.39 -0.54 -0.56 2.65 -1.00 -1.32 0.15 116.94 115.92 1qry h PHE 60 Ca 0.02 0.09 0.06 0.00 2.81 0.00 0.00 57.97 60.96 1qry h PHE 60 Cb 0.40 0.39 -0.09 0.00 3.61 0.00 0.00 35.95 40.26 1qry h PHE 60 CO -0.19 -0.42 -0.55 0.37 -1.61 0.00 0.00 178.31 175.91 1qry h GLN 61 N -0.00 -0.28 -0.99 1.51 4.15 -1.35 1.96 115.11 120.11 1qry h GLN 61 Ca 0.46 0.02 0.32 0.00 0.77 0.00 0.00 58.65 60.22 1qry h GLN 61 Cb 0.71 0.06 -0.15 0.00 0.21 0.00 0.00 27.48 28.31 1qry h GLN 61 CO -1.01 -0.19 0.53 -0.97 -1.93 0.00 0.00 178.83 175.26 1qry h ASN 62 N -0.29 0.44 0.14 -0.69 -0.00 -0.70 -0.51 115.58 113.96 1qry h ASN 62 Ca 0.11 0.20 -0.29 0.00 -0.00 0.00 0.00 56.30 56.31 1qry h ASN 62 Cb 0.55 0.16 0.00 0.00 -0.00 0.00 0.00 38.32 39.04 1qry h ASN 62 CO -0.69 -0.16 -1.48 0.45 -0.00 0.00 0.00 177.43 175.55 1qry h HIS 63 N 0.29 0.53 -0.70 0.67 3.86 -0.07 -3.33 115.15 116.40 1qry h HIS 63 Ca 0.72 -0.39 0.20 0.00 -1.16 0.00 0.00 60.37 59.74 1qry h HIS 63 Cb 1.65 -0.02 -0.13 0.00 1.06 0.00 0.00 27.41 29.96 1qry h HIS 63 CO -0.04 1.58 0.05 -2.13 0.86 0.00 0.00 177.93 178.25 1qry n ARG 64 N -3.84 -0.05 -0.04 2.45 3.00 0.62 0.22 116.66 119.02 1qry n ARG 64 Ca -0.24 1.04 -0.14 0.00 -0.00 0.00 0.00 57.85 58.50 1qry n ARG 64 Cb 0.95 -1.67 -0.08 0.00 0.00 0.00 0.00 32.46 31.66 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 0.45 0.14 -0.14 3.20 -1.66 -3.32 116.97 115.64 1qry h TYR 65 Ca 0.44 -0.17 -0.22 0.00 3.14 0.00 0.00 58.73 61.92 1qry h TYR 65 Cb 0.94 -0.08 0.02 0.00 1.54 0.00 0.00 36.73 39.15 1qry h TYR 65 CO -0.32 0.85 -0.96 0.87 -1.64 0.00 0.00 178.16 176.95 1qry h LYS 66 N -0.09 0.41 0.00 1.82 1.57 0.63 -3.10 116.57 117.81 1qry h LYS 66 Ca 0.00 -0.62 0.00 0.00 -1.87 0.00 0.00 60.65 58.16 1qry h LYS 66 Cb 0.83 0.22 0.00 0.00 0.08 0.00 0.00 32.23 33.37 1qry h LYS 66 CO 0.05 1.28 0.85 1.79 -0.57 0.00 0.00 179.45 182.86 1qry h THR 67 N -0.15 0.00 0.00 -0.16 1.35 0.26 0.66 112.91 114.88 1qry h THR 67 Ca -0.16 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.70 1qry h THR 67 Cb 1.73 0.05 0.00 0.00 -1.73 0.00 0.00 68.15 68.20 1qry h THR 67 CO 0.18 0.00 -0.32 0.11 -0.25 0.00 0.00 175.52 175.25 1qry h LYS 68 N 0.00 0.00 -0.47 4.72 1.57 -1.64 -3.30 116.57 117.45 1qry h LYS 68 Ca 0.00 0.00 0.14 0.00 -1.87 0.00 0.00 60.65 58.92 1qry h LYS 68 Cb 1.71 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 34.00 1qry h LYS 68 CO 0.00 0.00 0.35 0.07 -0.57 0.00 0.00 179.45 179.30 1qry h ARG 69 N -0.87 0.00 0.00 3.15 -0.00 -0.11 -2.89 114.38 113.66 1qry h ARG 69 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 59.98 59.98 1qry h ARG 69 Cb 0.32 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 30.29 1qry h ARG 69 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 179.97 179.97 1qry n ALA 70 N -2.60 -0.29 -0.35 0.08 0.00 0.18 -1.46 120.51 116.07 1qry n ALA 70 Ca 0.08 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.50 1qry n ALA 70 Cb 0.56 0.05 0.02 0.00 0.00 0.00 0.00 19.45 20.08 1qry n ALA 70 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1qry n GLN 71 N -1.61 -0.23 -0.29 0.00 6.02 -1.10 0.17 117.38 120.34 1qry n GLN 71 Ca 0.00 1.36 0.11 0.00 -0.01 0.00 0.00 57.00 58.46 1qry n GLN 71 Cb 0.00 -2.02 0.27 0.00 1.02 0.00 0.00 30.24 29.51 1qry n GLN 71 CO 0.00 0.00 0.00 -0.97 -1.01 0.00 0.00 177.06 175.08 1qry h ASN 72 N 0.00 0.21 -0.30 1.08 -0.73 -1.41 2.72 115.58 117.14 1qry h ASN 72 Ca 0.29 0.16 -0.12 0.00 1.87 0.00 0.00 56.30 58.50 1qry h ASN 72 Cb 0.51 0.17 -0.07 0.00 0.27 0.00 0.00 38.32 39.20 1qry h ASN 72 CO -0.88 -0.03 0.15 -0.62 -0.37 0.00 0.00 177.43 175.68 1qry n GLU 73 N -5.10 1.83 -2.42 6.67 -0.58 0.46 -4.83 120.64 116.67 1qry n GLU 73 Ca 0.20 -1.12 -0.04 0.00 -0.42 0.00 0.00 57.16 55.78 1qry n GLU 73 Cb 0.61 -1.56 -0.02 0.00 -0.57 0.00 0.00 31.44 29.90 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 0.03 0.10 -1.46 3.49 3.00 0.91 -5.00 118.16 119.23 1qry n LYS 74 Ca 0.17 -0.71 0.16 0.00 -0.00 0.00 0.00 58.31 57.93 1qry n LYS 74 Cb 0.80 0.60 -0.09 0.00 0.00 0.00 0.00 35.03 36.34 1qry n LYS 74 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1qry n GLY 75 N -0.14 -3.33 2.24 3.14 0.00 -1.25 -4.50 105.19 101.35 1qry n GLY 75 Ca 0.01 -0.97 -0.32 0.00 0.00 0.00 0.00 46.02 44.74 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 -4.24 3.10 -0.25 1.61 4.02 -1.26 -5.05 117.16 115.08 1qry n TYR 76 Ca -0.09 -2.80 0.00 0.00 -0.01 0.00 0.00 57.90 55.00 1qry n TYR 76 Cb 0.67 -1.21 0.00 0.00 -0.02 0.00 0.00 39.34 38.78 1qry n TYR 76 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 176.86 176.24 1qry n GLU 77 N -0.90 0.00 0.00 -0.72 -0.58 -1.26 -4.96 120.64 112.22 1qry n GLU 77 Ca 0.59 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 57.33 1qry n GLU 77 Cb 0.77 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 31.64 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 0.00 3.90 3.77 0.62 0.00 -1.26 -5.12 105.19 107.10 1qry n GLY 78 Ca 0.00 -0.26 -0.40 0.00 0.00 0.00 0.00 46.02 45.36 1qry n GLY 78 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 1qry s HIS 79 N 1.44 2.93 -1.31 1.61 0.00 -1.26 -5.33 115.29 113.37 1qry s HIS 79 Ca 0.00 1.40 0.00 0.00 -3.00 0.00 0.00 55.06 53.46 1qry s HIS 79 Cb 0.00 -3.70 0.00 0.00 -4.00 0.00 0.00 32.58 24.88 1qry s HIS 79 CO 0.00 -2.02 0.33 -2.30 -1.00 0.00 0.00 174.74 169.75