#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 -4.76 1.61 7.64 -1.26 -4.48 113.62 112.36 1qry n SER 2 Ca 0.00 0.00 -0.41 0.00 1.01 0.00 0.00 58.87 59.47 1qry n SER 2 Cb 0.00 0.00 -0.02 0.00 -1.01 0.00 0.00 64.21 63.18 1qry n SER 2 CO 0.00 0.00 0.00 -1.00 -3.01 0.00 0.00 175.04 171.03 1qry s HIS 3 N 0.00 3.02 0.00 1.43 3.76 -1.26 -4.89 115.29 117.35 1qry s HIS 3 Ca 0.00 1.31 0.00 0.00 -0.15 0.00 0.00 55.06 56.22 1qry s HIS 3 Cb 0.00 -3.73 0.00 0.00 1.11 0.00 0.00 32.58 29.96 1qry s HIS 3 CO 0.00 -2.10 0.00 0.00 -0.85 0.00 0.00 174.74 171.79 1qry n MET 4 N 1.18 0.00 -1.45 1.40 3.85 -1.26 -4.97 117.12 115.86 1qry n MET 4 Ca 0.02 0.00 0.00 0.00 -1.00 0.00 0.00 57.70 56.72 1qry n MET 4 Cb 0.41 -0.25 0.00 0.00 -1.05 0.00 0.00 33.22 32.34 1qry n MET 4 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 175.97 174.84 1qry n SER 5 N -2.53 -0.33 -4.38 3.17 3.41 -1.26 -4.75 113.62 106.95 1qry n SER 5 Ca 0.00 0.16 -0.39 0.00 -0.26 0.00 0.00 58.87 58.38 1qry n SER 5 Cb 0.17 -0.64 0.02 0.00 -0.26 0.00 0.00 64.21 63.50 1qry n SER 5 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 1qry n ASP 6 N 0.13 -2.04 0.00 4.04 5.68 -1.26 -4.62 116.55 118.47 1qry n ASP 6 Ca 0.00 0.74 0.00 0.00 -0.50 0.00 0.00 54.79 55.03 1qry n ASP 6 Cb 0.16 -1.03 0.00 0.00 -1.14 0.00 0.00 41.12 39.11 1qry n ASP 6 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1qry n GLY 7 N 2.07 -1.08 0.09 6.12 0.00 -1.26 -4.87 105.19 106.26 1qry n GLY 7 Ca 0.10 0.39 -0.08 0.00 0.00 0.00 0.00 46.02 46.44 1qry n GLY 7 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1qry h LEU 8 N 0.00 0.11 0.00 0.99 6.46 -1.92 1.97 115.31 122.91 1qry h LEU 8 Ca 0.00 -0.10 0.00 0.00 -0.12 0.00 0.00 57.88 57.66 1qry h LEU 8 Cb 0.00 -0.03 0.00 0.00 -0.73 0.00 0.00 40.66 39.90 1qry h LEU 8 CO 0.00 1.00 -0.77 1.55 -0.62 0.00 0.00 178.44 179.60 1qry h PRO 9 N 0.03 0.00 0.00 5.25 0.14 -1.91 -3.36 132.00 132.16 1qry h PRO 9 Ca -0.03 0.00 0.00 0.00 0.14 0.00 0.00 66.00 66.11 1qry h PRO 9 Cb 1.65 0.00 0.00 0.00 0.14 0.00 0.00 31.00 32.79 1qry h PRO 9 CO 0.13 0.00 -0.57 0.09 0.14 0.00 0.00 178.00 177.79 1qry n ASN 10 N -2.50 2.39 0.00 1.44 5.03 -1.21 -5.10 115.26 115.31 1qry n ASN 10 Ca 0.02 -0.26 0.00 0.00 0.87 0.00 0.00 54.58 55.20 1qry n ASN 10 Cb 0.51 1.03 0.00 0.00 -1.02 0.00 0.00 39.78 40.30 1qry n ASN 10 CO 0.00 0.00 0.00 0.29 -1.83 0.00 0.00 177.26 175.72 1qry n LYS 11 N -1.30 0.00 -0.95 3.52 4.76 0.67 -4.50 118.16 120.36 1qry n LYS 11 Ca -0.00 0.00 -0.35 0.00 -2.87 0.00 0.00 58.31 55.09 1qry n LYS 11 Cb 0.03 0.00 0.03 0.00 -1.84 0.00 0.00 35.03 33.25 1qry n LYS 11 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 1qry n LYS 12 N 0.00 0.00 -3.31 1.97 4.76 -1.26 -4.57 118.16 115.74 1qry n LYS 12 Ca 0.00 0.00 -0.10 0.00 -2.87 0.00 0.00 58.31 55.34 1qry n LYS 12 Cb 0.00 -0.95 -0.06 0.00 -1.84 0.00 0.00 35.03 32.18 1qry n LYS 12 CO 0.00 0.00 0.00 0.50 -1.37 0.00 0.00 177.40 176.53 1qry s ARG 13 N -1.89 0.52 0.18 1.97 3.52 -1.26 -4.97 118.95 117.01 1qry s ARG 13 Ca 0.36 -0.20 0.06 0.00 -0.13 0.00 0.00 55.73 55.82 1qry s ARG 13 Cb -0.04 -0.39 0.34 0.00 -1.56 0.00 0.00 34.95 33.30 1qry s ARG 13 CO 0.71 -1.10 1.02 1.17 -0.81 0.00 0.00 175.30 176.29 1qry n LYS 14 N 4.94 0.04 -3.85 5.12 4.81 -1.26 -4.78 118.16 123.19 1qry n LYS 14 Ca 0.05 0.42 -0.30 0.00 -0.87 0.00 0.00 58.31 57.61 1qry n LYS 14 Cb 0.49 -1.94 0.00 0.00 0.02 0.00 0.00 35.03 33.60 1qry n LYS 14 CO 0.00 0.00 0.00 -2.13 1.17 0.00 0.00 177.40 176.44 1qry n ARG 15 N -1.67 -1.19 0.00 1.64 0.63 -1.26 -4.89 116.66 109.92 1qry n ARG 15 Ca -0.00 0.55 0.00 0.00 -0.92 0.00 0.00 57.85 57.48 1qry n ARG 15 Cb 0.31 -2.19 0.00 0.00 0.45 0.00 0.00 32.46 31.03 1qry n ARG 15 CO 0.00 0.00 0.00 2.89 -2.51 0.00 0.00 177.63 178.01 1qry n ARG 16 N -3.17 -1.19 -2.14 -0.14 1.85 -1.26 -4.85 116.66 105.76 1qry n ARG 16 Ca -0.27 0.00 -0.41 0.00 -1.00 0.00 0.00 57.85 56.17 1qry n ARG 16 Cb 0.65 0.00 -0.02 0.00 -1.05 0.00 0.00 32.46 32.03 1qry n ARG 16 CO 0.00 0.00 0.00 0.54 -0.01 0.00 0.00 177.63 178.16 1qry s VAL 17 N -0.80 2.81 0.00 8.89 0.11 -1.26 -4.97 120.40 125.19 1qry s VAL 17 Ca 0.00 0.79 0.00 0.00 -2.93 0.00 0.00 61.98 59.84 1qry s VAL 17 Cb 0.00 -3.50 0.00 0.00 -1.53 0.00 0.00 36.38 31.35 1qry s VAL 17 CO 0.00 0.18 0.00 0.18 -3.33 0.00 0.00 175.10 172.13 1qry n LEU 18 N 1.13 0.00 -1.64 2.54 4.77 -1.26 -5.13 117.00 117.41 1qry n LEU 18 Ca 0.01 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.99 1qry n LEU 18 Cb 0.42 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.51 1qry n LEU 18 CO 0.59 0.00 -0.49 0.49 -1.33 0.00 0.00 177.39 176.65 1qry n PHE 19 N 0.00 -4.52 -1.67 -1.77 3.72 -1.26 -4.56 117.46 107.40 1qry n PHE 19 Ca 0.00 2.43 -0.56 0.00 -0.05 0.00 0.00 57.45 59.27 1qry n PHE 19 Cb 0.00 -3.67 -0.07 0.00 -0.94 0.00 0.00 39.48 34.80 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 -1.73 0.33 0.06 4.37 -2.24 -1.26 -4.63 114.28 109.18 1qry n THR 20 Ca 0.00 -0.08 0.14 0.00 -2.27 0.00 0.00 64.05 61.84 1qry n THR 20 Cb 0.24 -1.34 0.21 0.00 -2.10 0.00 0.00 70.33 67.33 1qry n THR 20 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67 1qry n LYS 21 N 5.91 0.02 0.12 -0.78 3.00 -1.26 0.17 118.16 125.34 1qry n LYS 21 Ca 0.28 0.97 -0.05 0.00 -0.00 0.00 0.00 58.31 59.51 1qry n LYS 21 Cb 0.16 -2.52 -0.03 0.00 0.00 0.00 0.00 35.03 32.64 1qry n LYS 21 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1qry h ALA 22 N 0.25 -0.50 -2.88 3.14 0.00 -1.95 -1.90 119.26 115.42 1qry h ALA 22 Ca 0.24 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.07 1qry h ALA 22 Cb 2.44 0.14 0.00 0.00 0.00 0.00 0.00 17.79 20.36 1qry h ALA 22 CO -0.00 -0.47 0.00 1.04 0.00 0.00 0.00 179.25 179.81 1qry n GLN 23 N -4.01 0.00 -0.18 0.00 3.00 0.45 0.11 117.38 116.75 1qry n GLN 23 Ca -0.04 0.32 0.16 0.00 -0.01 0.00 0.00 57.00 57.42 1qry n GLN 23 Cb 0.14 -0.80 0.29 0.00 0.00 0.00 0.00 30.24 29.87 1qry n GLN 23 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.06 179.47 1qry n THR 24 N -0.65 -0.23 0.00 5.09 -1.04 -1.05 0.15 114.28 116.55 1qry n THR 24 Ca 0.00 1.13 0.00 0.00 -2.04 0.00 0.00 64.05 63.14 1qry n THR 24 Cb 0.00 -1.79 0.00 0.00 -1.82 0.00 0.00 70.33 66.72 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 -4.32 0.00 -0.32 -1.42 9.36 0.29 0.12 117.16 120.88 1qry n TYR 25 Ca 0.19 0.00 -0.01 0.00 3.32 0.00 0.00 57.90 61.40 1qry n TYR 25 Cb 0.65 -0.05 0.04 0.00 -0.63 0.00 0.00 39.34 39.35 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 -1.12 2.98 4.39 0.13 2.92 114.58 123.83 1qry h GLU 26 Ca 0.00 0.00 0.31 0.00 0.34 0.00 0.00 59.36 60.02 1qry h GLU 26 Cb 0.00 0.01 -0.09 0.00 -0.10 0.00 0.00 28.75 28.57 1qry h GLU 26 CO 0.00 -0.03 0.74 1.25 -1.16 0.00 0.00 179.01 179.81 1qry h LEU 27 N -0.05 0.33 0.10 1.33 5.85 0.13 0.91 115.31 123.91 1qry h LEU 27 Ca 0.33 0.08 -0.27 0.00 0.84 0.00 0.00 57.88 58.86 1qry h LEU 27 Cb 0.59 0.03 0.00 0.00 0.37 0.00 0.00 40.66 41.66 1qry h LEU 27 CO -0.88 0.02 -1.21 -0.33 -0.34 0.00 0.00 178.44 175.70 1qry h GLU 28 N 0.26 0.27 -0.96 1.25 5.08 1.30 -3.25 114.58 118.54 1qry h GLU 28 Ca 0.63 -0.44 0.03 0.00 -1.00 0.00 0.00 59.36 58.58 1qry h GLU 28 Cb 1.85 0.16 -0.05 0.00 0.50 0.00 0.00 28.75 31.21 1qry h GLU 28 CO -0.26 1.20 0.63 0.00 -1.00 0.00 0.00 179.01 179.58 1qry h ARG 29 N 0.08 1.19 -0.41 2.33 2.47 0.52 -2.01 114.38 118.55 1qry h ARG 29 Ca -0.12 -0.07 0.05 0.00 -1.26 0.00 0.00 59.98 58.58 1qry h ARG 29 Cb 1.93 -0.27 -0.05 0.00 -1.65 0.00 0.00 29.97 29.93 1qry h ARG 29 CO 0.20 0.79 0.14 -0.09 0.56 0.00 0.00 179.97 181.56 1qry h ARG 30 N 1.23 0.28 -0.42 0.04 1.12 -1.18 -2.94 114.38 112.50 1qry h ARG 30 Ca 0.37 -0.02 0.04 0.00 -1.11 0.00 0.00 59.98 59.27 1qry h ARG 30 Cb -0.02 -0.06 -0.05 0.00 -0.01 0.00 0.00 29.97 29.82 1qry h ARG 30 CO -0.11 0.19 -0.25 0.34 -3.11 0.00 0.00 179.97 177.03 1qry n PHE 31 N -5.03 -0.19 -0.30 2.20 -0.00 -0.76 0.12 117.46 113.52 1qry n PHE 31 Ca 0.03 0.53 0.24 0.00 -0.00 0.00 0.00 57.45 58.25 1qry n PHE 31 Cb 0.16 -0.51 0.45 0.00 -0.00 0.00 0.00 39.48 39.58 1qry n PHE 31 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.76 177.30 1qry n ARG 32 N -3.95 -0.06 0.03 -4.13 3.00 -1.11 0.45 116.66 110.89 1qry n ARG 32 Ca 0.01 1.29 0.13 0.00 -0.01 0.00 0.00 57.85 59.27 1qry n ARG 32 Cb 0.11 -2.22 0.43 0.00 0.00 0.00 0.00 32.46 30.78 1qry n ARG 32 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.63 178.67 1qry n GLN 33 N -5.14 0.10 -3.72 5.56 1.13 0.33 -4.76 117.38 110.87 1qry n GLN 33 Ca 0.30 0.06 -0.13 0.00 -1.94 0.00 0.00 57.00 55.29 1qry n GLN 33 Cb 1.02 -1.59 -0.14 0.00 0.11 0.00 0.00 30.24 29.64 1qry n GLN 33 CO 0.00 0.00 0.00 -0.65 -1.44 0.00 0.00 177.06 174.97 1qry s GLN 34 N -3.04 0.16 0.22 -1.09 1.11 1.58 -5.02 119.66 113.58 1qry s GLN 34 Ca 0.12 0.52 -0.00 0.00 0.01 0.00 0.00 55.36 56.01 1qry s GLN 34 Cb 0.16 -0.13 0.21 0.00 -1.01 0.00 0.00 33.01 32.24 1qry s GLN 34 CO 0.61 -0.19 1.56 0.07 0.01 0.00 0.00 175.29 177.35 1qry h ARG 35 N 7.41 0.46 -0.59 2.91 0.11 -1.85 -3.36 114.38 119.47 1qry h ARG 35 Ca -0.37 -0.27 -0.30 0.00 0.10 0.00 0.00 59.98 59.14 1qry h ARG 35 Cb 1.14 0.02 -0.30 0.00 1.11 0.00 0.00 29.97 31.95 1qry h ARG 35 CO 0.34 0.86 -0.86 2.48 0.10 0.00 0.00 179.97 182.90 1qry n TYR 36 N -3.97 -0.32 0.00 4.08 0.18 -1.26 -4.94 117.16 110.93 1qry n TYR 36 Ca -0.02 -2.43 0.00 0.00 1.88 0.00 0.00 57.90 57.32 1qry n TYR 36 Cb 0.56 0.43 0.00 0.00 -0.38 0.00 0.00 39.34 39.95 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 -0.28 0.00 0.00 -3.48 7.94 -1.26 -4.94 117.00 114.97 1qry n LEU 37 Ca 0.04 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.94 1qry n LEU 37 Cb 0.83 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.78 1qry n LEU 37 CO 0.13 0.00 0.00 -0.24 -1.11 0.00 0.00 177.39 176.17 1qry n SER 38 N 0.00 0.00 -0.14 1.96 2.88 -1.26 -4.77 113.62 112.28 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 -0.87 -0.21 -0.26 -1.46 0.00 -1.26 0.45 120.51 116.90 1qry n ALA 39 Ca 0.00 0.30 -0.01 0.00 0.00 0.00 0.00 53.44 53.73 1qry n ALA 39 Cb 0.00 -0.05 0.19 0.00 0.00 0.00 0.00 19.45 19.59 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 1.09 0.01 0.00 0.13 -2.01 -0.97 132.00 130.25 1qry h PRO 40 Ca 0.06 -0.09 -0.04 0.00 -0.87 0.00 0.00 66.00 65.06 1qry h PRO 40 Cb 0.14 -0.24 -0.00 0.00 0.13 0.00 0.00 31.00 31.04 1qry h PRO 40 CO -0.33 0.75 -0.19 0.93 -0.23 0.00 0.00 178.00 178.93 1qry h GLU 41 N 1.11 0.03 -0.95 0.86 3.07 0.93 -3.28 114.58 116.35 1qry h GLU 41 Ca 0.29 -0.04 0.29 0.00 -0.50 0.00 0.00 59.36 59.40 1qry h GLU 41 Cb -0.07 0.02 -0.17 0.00 -0.84 0.00 0.00 28.75 27.68 1qry h GLU 41 CO -0.06 1.02 0.19 0.00 -1.40 0.00 0.00 179.01 178.76 1qry h ARG 42 N -0.94 0.07 -0.96 2.33 3.08 0.99 0.82 114.38 119.77 1qry h ARG 42 Ca -0.05 -0.00 0.23 0.00 0.07 0.00 0.00 59.98 60.23 1qry h ARG 42 Cb 1.08 -0.02 -0.18 0.00 0.08 0.00 0.00 29.97 30.94 1qry h ARG 42 CO -0.01 0.05 -0.10 0.93 -1.07 0.00 0.00 179.97 179.77 1qry h GLU 43 N 0.07 0.01 -0.58 0.04 4.39 -1.23 0.98 114.58 118.27 1qry h GLU 43 Ca 0.63 -0.00 0.10 0.00 0.34 0.00 0.00 59.36 60.43 1qry h GLU 43 Cb 1.38 -0.00 -0.08 0.00 -0.10 0.00 0.00 28.75 29.95 1qry h GLU 43 CO -0.81 0.01 0.16 0.45 -1.16 0.00 0.00 179.01 177.66 1qry h HIS 44 N 0.01 0.27 0.52 4.33 3.86 0.51 0.26 115.15 124.90 1qry h HIS 44 Ca 0.52 0.03 -0.03 0.00 -1.16 0.00 0.00 60.37 59.74 1qry h HIS 44 Cb 0.94 -0.03 0.01 0.00 1.06 0.00 0.00 27.41 29.38 1qry h HIS 44 CO -0.61 0.02 -0.25 1.25 0.86 0.00 0.00 177.93 179.21 1qry h LEU 45 N 0.31 -0.59 -0.64 2.43 7.12 0.73 -2.72 115.31 121.95 1qry h LEU 45 Ca 0.30 0.02 0.00 0.00 0.13 0.00 0.00 57.88 58.33 1qry h LEU 45 Cb 0.41 0.15 0.00 0.00 -0.53 0.00 0.00 40.66 40.69 1qry h LEU 45 CO -0.35 -0.28 0.76 0.71 -0.13 0.00 0.00 178.44 179.14 1qry h THR 46 N -0.97 0.00 0.00 1.05 1.35 0.11 3.06 112.91 117.51 1qry h THR 46 Ca -0.07 0.00 -0.12 0.00 -0.55 0.00 0.00 66.41 65.67 1qry h THR 46 Cb 0.53 0.21 -0.02 0.00 -1.73 0.00 0.00 68.15 67.15 1qry h THR 46 CO 0.12 0.00 -1.08 0.28 -0.25 0.00 0.00 175.52 174.59 1qry h SER 47 N 0.00 0.00 0.00 5.36 0.02 -0.20 -2.99 113.55 115.75 1qry h SER 47 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1qry h SER 47 Cb 1.51 0.00 0.00 0.00 0.14 0.00 0.00 62.40 64.05 1qry h SER 47 CO 0.00 0.44 0.00 0.18 -1.14 0.00 0.00 176.83 176.31 1qry n LEU 48 N -2.94 0.38 -1.23 5.07 4.77 1.02 -4.57 117.00 119.49 1qry n LEU 48 Ca -0.05 0.26 0.11 0.00 -0.03 0.00 0.00 56.01 56.29 1qry n LEU 48 Cb 0.76 -0.40 0.29 0.00 -2.33 0.00 0.00 43.42 41.74 1qry n LEU 48 CO 0.42 -0.40 0.75 2.30 -1.33 0.00 0.00 177.39 179.12 1qry n ILE 49 N -1.92 0.89 0.00 -0.08 -0.00 -0.98 -4.95 119.36 112.32 1qry n ILE 49 Ca 0.00 -0.89 0.00 0.00 -0.00 0.00 0.00 62.75 61.86 1qry n ILE 49 Cb 0.00 0.45 0.00 0.00 -0.00 0.00 0.00 39.64 40.09 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 1.46 0.00 -1.34 6.28 1.74 -1.13 -4.86 116.66 118.81 1qry n ARG 50 Ca 0.22 0.00 -0.34 0.00 -0.77 0.00 0.00 57.85 56.96 1qry n ARG 50 Cb 0.56 -3.02 -0.15 0.00 -1.02 0.00 0.00 32.46 28.84 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 -0.00 -1.24 0.55 4.77 -1.26 -4.62 117.00 115.20 1qry n LEU 51 Ca 0.00 0.05 -0.12 0.00 -0.03 0.00 0.00 56.01 55.92 1qry n LEU 51 Cb 0.00 -0.77 0.00 0.00 -2.33 0.00 0.00 43.42 40.32 1qry n LEU 51 CO 0.00 -0.75 -0.16 0.35 -1.33 0.00 0.00 177.39 175.50 1qry n THR 52 N 6.43 0.08 0.00 -5.08 -2.24 -1.26 -4.25 114.28 107.96 1qry n THR 52 Ca 0.59 -0.15 0.00 0.00 -2.27 0.00 0.00 64.05 62.23 1qry n THR 52 Cb 0.04 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.27 1qry n THR 52 CO 0.00 0.00 0.00 -0.81 -0.57 0.00 0.00 175.07 173.69 1qry n PRO 53 N 0.42 0.00 -0.35 -0.78 -0.04 -1.26 -0.15 135.00 132.83 1qry n PRO 53 Ca 0.03 0.10 -0.02 0.00 -0.04 0.00 0.00 63.50 63.57 1qry n PRO 53 Cb 0.13 -0.83 0.03 0.00 -0.04 0.00 0.00 33.50 32.79 1qry n PRO 53 CO 0.00 0.00 0.00 2.41 -0.04 0.00 0.00 175.50 177.87 1qry n THR 54 N -0.43 -0.49 -0.35 0.52 -1.04 -1.26 0.44 114.28 111.67 1qry n THR 54 Ca 0.00 2.13 0.27 0.00 -2.04 0.00 0.00 64.05 64.41 1qry n THR 54 Cb 0.00 -2.80 0.55 0.00 -1.82 0.00 0.00 70.33 66.27 1qry n THR 54 CO 0.00 0.00 0.00 -0.61 -0.64 0.00 0.00 175.07 173.82 1qry h GLN 55 N 0.00 0.29 0.23 -2.82 4.15 -1.86 0.39 115.11 115.50 1qry h GLN 55 Ca 0.30 -0.02 -0.01 0.00 0.77 0.00 0.00 58.65 59.69 1qry h GLN 55 Cb 0.53 -0.07 0.00 0.00 0.21 0.00 0.00 27.48 28.15 1qry h GLN 55 CO -0.90 0.19 -0.11 0.28 -1.93 0.00 0.00 178.83 176.36 1qry h VAL 56 N 0.30 0.83 -0.50 2.39 2.07 1.26 -2.18 116.25 120.42 1qry h VAL 56 Ca 0.65 -0.49 0.03 0.00 0.82 0.00 0.00 66.70 67.70 1qry h VAL 56 Cb 1.79 1.11 -0.03 0.00 -1.52 0.00 0.00 31.29 32.64 1qry h VAL 56 CO -0.31 0.11 0.29 0.50 0.02 0.00 0.00 177.57 178.18 1qry h LYS 57 N -0.57 0.57 -0.58 1.57 3.64 0.57 -0.87 116.57 120.90 1qry h LYS 57 Ca -0.03 -0.03 0.10 0.00 -1.27 0.00 0.00 60.65 59.41 1qry h LYS 57 Cb 0.42 -0.13 -0.03 0.00 -0.41 0.00 0.00 32.23 32.07 1qry h LYS 57 CO 0.05 0.38 0.39 0.82 -2.27 0.00 0.00 179.45 178.82 1qry h ILE 58 N 0.58 0.88 -0.07 2.00 1.08 -0.39 -1.25 117.51 120.34 1qry h ILE 58 Ca 0.20 -0.13 -0.03 0.00 -0.39 0.00 0.00 64.86 64.52 1qry h ILE 58 Cb 0.03 0.48 -0.00 0.00 -3.07 0.00 0.00 36.82 34.26 1qry h ILE 58 CO -0.10 0.07 -0.06 -0.25 -0.69 0.00 0.00 178.15 177.12 1qry h TRP 59 N 0.37 0.20 -0.80 1.37 7.01 -0.52 -3.16 115.95 120.42 1qry h TRP 59 Ca 0.27 -0.06 0.15 0.00 2.11 0.00 0.00 58.89 61.36 1qry h TRP 59 Cb 0.57 -0.04 -0.15 0.00 -2.10 0.00 0.00 29.16 27.44 1qry h TRP 59 CO -0.00 0.58 -0.28 0.74 -2.79 0.00 0.00 178.44 176.69 1qry h PHE 60 N -0.24 -0.70 -0.59 2.65 -1.00 -0.50 0.10 116.94 116.66 1qry h PHE 60 Ca 0.01 0.08 0.12 0.00 2.81 0.00 0.00 57.97 61.00 1qry h PHE 60 Cb 0.54 0.43 -0.11 0.00 3.61 0.00 0.00 35.95 40.41 1qry h PHE 60 CO 0.08 -0.37 -0.14 0.94 -1.61 0.00 0.00 178.31 177.21 1qry n GLN 61 N -5.50 -0.05 0.00 1.51 7.27 -1.08 0.21 117.38 119.73 1qry n GLN 61 Ca 0.10 0.92 0.00 0.00 0.07 0.00 0.00 57.00 58.09 1qry n GLN 61 Cb 0.40 -1.38 0.00 0.00 2.41 0.00 0.00 30.24 31.67 1qry n GLN 61 CO 0.00 0.00 0.00 -1.71 0.07 0.00 0.00 177.06 175.42 1qry n ASN 62 N -4.95 0.00 -0.32 1.69 5.15 0.35 -3.07 115.26 114.10 1qry n ASN 62 Ca 0.10 0.31 0.14 0.00 -0.60 0.00 0.00 54.58 54.52 1qry n ASN 62 Cb 0.30 0.00 0.29 0.00 -0.53 0.00 0.00 39.78 39.85 1qry n ASN 62 CO 0.00 0.00 0.00 0.45 1.40 0.00 0.00 177.26 179.11 1qry h HIS 63 N 0.00 0.08 -0.64 1.20 3.86 -1.43 -0.17 115.15 118.04 1qry h HIS 63 Ca 0.00 0.06 0.06 0.00 -1.16 0.00 0.00 60.37 59.34 1qry h HIS 63 Cb 0.00 0.12 -0.08 0.00 1.06 0.00 0.00 27.41 28.51 1qry h HIS 63 CO 0.00 -0.37 -0.37 -2.13 0.86 0.00 0.00 177.93 175.92 1qry n ARG 64 N -5.41 -0.27 -0.09 2.45 0.00 0.56 0.45 116.66 114.35 1qry n ARG 64 Ca 0.23 0.98 -0.12 0.00 -0.00 0.00 0.00 57.85 58.93 1qry n ARG 64 Cb 0.74 -1.44 -0.04 0.00 0.00 0.00 0.00 32.46 31.72 1qry n ARG 64 CO 0.00 0.00 0.00 0.10 0.00 0.00 0.00 177.63 177.73 1qry h TYR 65 N 0.00 0.54 0.00 -0.14 -0.00 -0.95 -2.52 116.97 113.90 1qry h TYR 65 Ca 0.12 -0.11 0.00 0.00 0.00 0.00 0.00 58.73 58.73 1qry h TYR 65 Cb 0.28 -0.13 0.00 0.00 0.00 0.00 0.00 36.73 36.87 1qry h TYR 65 CO -0.65 0.70 0.00 1.17 -0.00 0.00 0.00 178.16 179.37 1qry n LYS 66 N -4.56 0.16 0.05 0.10 4.81 0.21 -2.76 118.16 116.17 1qry n LYS 66 Ca -0.04 0.08 -0.01 0.00 -0.87 0.00 0.00 58.31 57.47 1qry n LYS 66 Cb 0.29 -1.50 -0.07 0.00 0.02 0.00 0.00 35.03 33.78 1qry n LYS 66 CO 0.00 0.00 0.00 1.79 1.17 0.00 0.00 177.40 180.36 1qry h THR 67 N 0.00 0.70 0.00 3.15 1.35 1.01 -3.23 112.91 115.89 1qry h THR 67 Ca 0.00 -2.22 -0.23 0.00 -0.55 0.00 0.00 66.41 63.41 1qry h THR 67 Cb 0.32 2.22 -0.03 0.00 -1.73 0.00 0.00 68.15 68.92 1qry h THR 67 CO 0.00 0.40 -1.16 0.07 -0.25 0.00 0.00 175.52 174.58 1qry h LYS 68 N 0.00 0.00 0.00 4.72 2.10 -1.29 -3.22 116.57 118.89 1qry h LYS 68 Ca -0.13 0.00 -0.06 0.00 -2.00 0.00 0.00 60.65 58.46 1qry h LYS 68 Cb 1.60 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.92 1qry h LYS 68 CO 0.06 0.88 -0.31 0.07 -2.00 0.00 0.00 179.45 178.15 1qry h ARG 69 N 0.00 0.00 -0.31 0.07 -0.00 -1.62 -2.93 114.38 109.59 1qry h ARG 69 Ca -0.07 0.00 0.06 0.00 -0.00 0.00 0.00 59.98 59.97 1qry h ARG 69 Cb 1.82 0.00 -0.06 0.00 -0.00 0.00 0.00 29.97 31.73 1qry h ARG 69 CO 0.12 0.31 -0.08 0.00 -0.00 0.00 0.00 179.97 180.32 1qry h ALA 70 N 1.69 0.21 -0.73 0.08 0.00 -1.57 -2.53 119.26 116.40 1qry h ALA 70 Ca -0.00 0.12 0.07 0.00 0.00 0.00 0.00 54.91 55.10 1qry h ALA 70 Cb 0.59 0.24 -0.10 0.00 0.00 0.00 0.00 17.79 18.51 1qry h ALA 70 CO 0.04 -0.46 -0.55 1.96 0.00 0.00 0.00 179.25 180.24 1qry h GLN 71 N 0.00 -0.14 -0.99 0.00 1.08 -1.68 0.53 115.11 113.92 1qry h GLN 71 Ca 0.15 0.01 0.33 0.00 -1.45 0.00 0.00 58.65 57.69 1qry h GLN 71 Cb 0.23 0.03 -0.18 0.00 -0.05 0.00 0.00 27.48 27.51 1qry h GLN 71 CO -0.32 -0.09 0.28 -0.97 -0.95 0.00 0.00 178.83 176.77 1qry h ASN 72 N -0.15 -0.07 -0.37 1.46 -1.24 -1.60 3.56 115.58 117.18 1qry h ASN 72 Ca 0.12 0.26 -0.25 0.00 0.71 0.00 0.00 56.30 57.15 1qry h ASN 72 Cb 0.46 0.36 -0.11 0.00 0.73 0.00 0.00 38.32 39.76 1qry h ASN 72 CO -0.77 -0.36 0.32 -0.62 -1.29 0.00 0.00 177.43 174.71 1qry n GLU 73 N -5.35 1.61 0.00 6.67 1.02 0.18 -3.69 120.64 121.07 1qry n GLU 73 Ca 0.29 -1.21 0.00 0.00 -0.02 0.00 0.00 57.16 56.22 1qry n GLU 73 Cb 0.98 -1.48 0.00 0.00 -0.02 0.00 0.00 31.44 30.92 1qry n GLU 73 CO 0.00 0.00 0.00 1.17 1.18 0.00 0.00 177.13 179.48 1qry n LYS 74 N 0.50 0.00 0.00 3.49 3.00 1.16 -4.92 118.16 121.39 1qry n LYS 74 Ca 0.23 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.54 1qry n LYS 74 Cb 0.61 -0.29 0.00 0.00 0.00 0.00 0.00 35.03 35.35 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 0.17 -2.91 1.36 3.14 0.00 -0.04 -4.74 105.19 102.16 1qry n GLY 75 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.01 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 -0.45 -0.02 0.00 1.61 4.02 -1.26 -5.05 117.16 116.02 1qry n TYR 76 Ca 0.00 -0.59 0.00 0.00 -0.01 0.00 0.00 57.90 57.30 1qry n TYR 76 Cb 0.00 0.18 0.00 0.00 -0.02 0.00 0.00 39.34 39.50 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 0.18 0.00 0.00 -0.72 4.71 -1.25 -4.64 120.64 118.92 1qry n GLU 77 Ca -0.10 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.05 1qry n GLU 77 Cb 0.93 0.00 0.00 0.00 -1.01 0.00 0.00 31.44 31.36 1qry n GLU 77 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1qry n GLY 78 N 0.00 1.94 2.67 0.62 0.00 -1.26 -4.90 105.19 104.26 1qry n GLY 78 Ca 0.00 -0.81 0.00 0.00 0.00 0.00 0.00 46.02 45.21 1qry n GLY 78 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1qry n HIS 79 N 0.49 0.00 1.85 1.61 8.25 -1.26 -5.24 115.22 120.92 1qry n HIS 79 Ca 0.00 0.00 0.15 0.00 -0.26 0.00 0.00 57.72 57.61 1qry n HIS 79 Cb 0.00 -0.83 0.82 0.00 1.12 0.00 0.00 29.99 31.10 1qry n HIS 79 CO 0.00 0.00 0.00 -2.30 0.64 0.00 0.00 176.34 174.68