#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qry s SER 2 N 0.00 6.24 0.11 1.61 0.15 -1.26 -4.80 113.70 115.75 1qry s SER 2 Ca 0.00 -0.23 0.00 0.00 0.70 0.00 0.00 55.95 56.42 1qry s SER 2 Cb 0.00 -2.23 0.00 0.00 -1.71 0.00 0.00 66.02 62.08 1qry s SER 2 CO 0.00 -0.45 0.00 1.57 1.20 0.00 0.00 173.24 175.56 1qry n HIS 3 N 5.59 -3.25 -1.33 3.44 -0.00 -1.26 -5.03 115.22 113.38 1qry n HIS 3 Ca -0.07 1.96 0.00 0.00 0.46 0.00 0.00 57.72 60.07 1qry n HIS 3 Cb 0.49 -3.14 0.00 0.00 -0.12 0.00 0.00 29.99 27.22 1qry n HIS 3 CO 0.00 0.00 0.00 -1.33 0.46 0.00 0.00 176.34 175.47 1qry n MET 4 N 1.24 0.90 -2.76 1.57 2.00 -1.26 -5.11 117.12 113.70 1qry n MET 4 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 57.70 57.57 1qry n MET 4 Cb 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 33.22 33.21 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 -1.82 2.00 0.00 7.83 3.41 -1.26 -5.01 113.62 118.77 1qry n SER 5 Ca 0.00 -1.96 0.00 0.00 -0.26 0.00 0.00 58.87 56.65 1qry n SER 5 Cb 0.00 0.01 0.00 0.00 -0.26 0.00 0.00 64.21 63.96 1qry n SER 5 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 1qry n ASP 6 N -1.80 0.00 0.00 4.04 2.03 -1.26 -4.91 116.55 114.65 1qry n ASP 6 Ca -0.03 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.28 1qry n ASP 6 Cb 0.31 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.71 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 0.00 2.88 3.06 0.27 0.00 -1.26 -5.07 105.19 105.07 1qry n GLY 7 Ca 0.00 -0.36 -0.32 0.00 0.00 0.00 0.00 46.02 45.34 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 4.60 0.00 0.99 2.01 -1.26 -4.92 118.68 120.10 1qry s LEU 8 Ca 0.00 -1.95 0.26 0.00 0.01 0.00 0.00 54.13 52.45 1qry s LEU 8 Cb 0.00 -1.66 0.53 0.00 0.01 0.00 0.00 46.19 45.07 1qry s LEU 8 CO 0.00 -0.37 1.44 -0.81 1.01 0.00 0.00 176.35 177.62 1qry n PRO 9 N 4.38 1.82 0.00 1.29 -0.04 -1.26 -4.73 135.00 136.46 1qry n PRO 9 Ca -0.01 -1.34 0.00 0.00 -0.04 0.00 0.00 63.50 62.11 1qry n PRO 9 Cb 0.42 -1.47 0.00 0.00 -0.04 0.00 0.00 33.50 32.41 1qry n PRO 9 CO 0.00 0.00 0.00 0.27 -0.04 0.00 0.00 175.50 175.73 1qry n ASN 10 N 0.58 0.00 -4.53 3.54 6.94 -1.26 -5.06 115.26 115.47 1qry n ASN 10 Ca 0.15 0.00 -0.39 0.00 -0.02 0.00 0.00 54.58 54.33 1qry n ASN 10 Cb 0.47 0.10 -0.07 0.00 -2.36 0.00 0.00 39.78 37.92 1qry n ASN 10 CO 0.00 0.00 0.00 0.29 -1.03 0.00 0.00 177.26 176.52 1qry n LYS 11 N -1.62 0.74 -2.99 -3.83 4.76 -1.26 -4.75 118.16 109.21 1qry n LYS 11 Ca 0.00 0.02 -0.15 0.00 -2.87 0.00 0.00 58.31 55.32 1qry n LYS 11 Cb 0.00 -2.79 -0.00 0.00 -1.84 0.00 0.00 35.03 30.39 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 8.80 1.03 -2.99 1.97 4.76 -1.26 -4.92 118.16 125.56 1qry n LYS 12 Ca 0.46 -3.24 -0.13 0.00 -2.87 0.00 0.00 58.31 52.53 1qry n LYS 12 Cb 0.37 -1.50 0.01 0.00 -1.84 0.00 0.00 35.03 32.08 1qry n LYS 12 CO 0.00 0.00 0.00 -2.13 -1.37 0.00 0.00 177.40 173.90 1qry n ARG 13 N 0.16 -2.35 -0.01 1.97 0.63 -1.26 -4.99 116.66 110.81 1qry n ARG 13 Ca 0.19 2.01 -0.00 0.00 -0.92 0.00 0.00 57.85 59.12 1qry n ARG 13 Cb 0.72 -4.67 -0.00 0.00 0.45 0.00 0.00 32.46 28.96 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 -0.06 0.04 0.00 -0.14 5.02 -1.26 -5.10 118.16 116.65 1qry n LYS 14 Ca 0.05 0.25 0.00 0.00 -2.02 0.00 0.00 58.31 56.59 1qry n LYS 14 Cb 0.45 -0.81 0.00 0.00 -0.02 0.00 0.00 35.03 34.65 1qry n LYS 14 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1qry n ARG 15 N -2.47 0.00 -4.23 1.97 5.12 -1.26 -5.17 116.66 110.61 1qry n ARG 15 Ca -0.01 0.00 -0.23 0.00 -1.93 0.00 0.00 57.85 55.68 1qry n ARG 15 Cb 0.02 0.00 -0.07 0.00 -1.16 0.00 0.00 32.46 31.25 1qry n ARG 15 CO 0.00 0.00 0.00 0.50 -1.93 0.00 0.00 177.63 176.20 1qry s ARG 16 N -1.38 2.31 0.04 5.56 3.52 -1.26 -5.14 118.95 122.60 1qry s ARG 16 Ca 0.00 -1.48 -0.09 0.00 -0.13 0.00 0.00 55.73 54.02 1qry s ARG 16 Cb 0.00 -2.15 0.00 0.00 -1.56 0.00 0.00 34.95 31.24 1qry s ARG 16 CO 0.00 0.26 0.19 0.08 -0.81 0.00 0.00 175.30 175.02 1qry s VAL 17 N -2.37 0.11 0.25 7.11 1.01 -1.26 -5.17 120.40 120.08 1qry s VAL 17 Ca 0.34 -0.89 -0.04 0.00 0.00 0.00 0.00 61.98 61.39 1qry s VAL 17 Cb -0.05 -0.90 -0.02 0.00 0.00 0.00 0.00 36.38 35.42 1qry s VAL 17 CO 0.21 -0.49 0.31 -1.48 0.00 0.00 0.00 175.10 173.65 1qry s LEU 18 N -2.07 0.95 -0.07 3.92 0.05 -1.26 -5.17 118.68 115.04 1qry s LEU 18 Ca -0.05 -1.32 -0.06 0.00 0.05 0.00 0.00 54.13 52.75 1qry s LEU 18 Cb -0.01 1.00 0.02 0.00 -2.05 0.00 0.00 46.19 45.15 1qry s LEU 18 CO -0.04 -1.04 0.18 -0.36 -0.55 0.00 0.00 176.35 174.54 1qry s PHE 19 N -3.83 -0.20 -0.23 3.48 0.08 -1.26 -5.09 117.98 110.93 1qry s PHE 19 Ca 0.33 0.48 -0.42 0.00 0.12 0.00 0.00 56.93 57.44 1qry s PHE 19 Cb 0.03 0.06 -0.19 0.00 -0.57 0.00 0.00 43.02 42.35 1qry s PHE 19 CO 0.14 -0.10 1.44 0.25 -0.10 0.00 0.00 175.22 176.86 1qry n THR 20 N 3.10 0.06 0.25 0.64 -2.24 -1.26 -4.55 114.28 110.28 1qry n THR 20 Ca -0.14 -0.01 0.03 0.00 -2.27 0.00 0.00 64.05 61.66 1qry n THR 20 Cb 0.58 -0.56 0.14 0.00 -2.10 0.00 0.00 70.33 68.39 1qry n THR 20 CO 0.00 0.00 0.00 0.07 -0.57 0.00 0.00 175.07 174.57 1qry h LYS 21 N 4.83 0.00 0.11 -0.78 2.10 -1.99 0.58 116.57 121.41 1qry h LYS 21 Ca -0.47 0.00 -0.01 0.00 -2.00 0.00 0.00 60.65 58.17 1qry h LYS 21 Cb 1.37 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.70 1qry h LYS 21 CO 0.85 0.00 -0.05 0.00 -2.00 0.00 0.00 179.45 178.25 1qry h ALA 22 N 0.30 -0.34 -2.55 0.07 0.00 -1.98 -2.12 119.26 112.63 1qry h ALA 22 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1qry h ALA 22 Cb 1.50 0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.34 1qry h ALA 22 CO 0.00 -0.33 0.00 1.04 0.00 0.00 0.00 179.25 179.96 1qry n GLN 23 N -3.06 0.00 -0.16 0.00 6.02 0.20 0.13 117.38 120.51 1qry n GLN 23 Ca -0.02 0.26 0.07 0.00 -0.01 0.00 0.00 57.00 57.30 1qry n GLN 23 Cb 0.06 -0.69 0.14 0.00 1.02 0.00 0.00 30.24 30.77 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 -0.57 -0.20 0.00 5.09 -1.04 -1.12 0.29 114.28 116.73 1qry n THR 24 Ca 0.00 1.03 0.00 0.00 -2.04 0.00 0.00 64.05 63.04 1qry n THR 24 Cb 0.00 -1.51 0.00 0.00 -1.82 0.00 0.00 70.33 67.00 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 -4.52 0.00 -0.33 -1.42 9.36 0.35 0.34 117.16 120.93 1qry n TYR 25 Ca 0.11 0.00 -0.09 0.00 3.32 0.00 0.00 57.90 61.24 1qry n TYR 25 Cb 0.36 -0.15 -0.06 0.00 -0.63 0.00 0.00 39.34 38.86 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 -0.09 -1.08 2.98 4.39 0.44 3.03 114.58 124.24 1qry h GLU 26 Ca 0.00 0.01 0.29 0.00 0.34 0.00 0.00 59.36 60.00 1qry h GLU 26 Cb 0.00 0.02 -0.08 0.00 -0.10 0.00 0.00 28.75 28.59 1qry h GLU 26 CO 0.00 -0.06 0.72 1.25 -1.16 0.00 0.00 179.01 179.76 1qry h LEU 27 N -0.10 0.32 -0.06 1.33 5.85 0.43 0.98 115.31 124.06 1qry h LEU 27 Ca 0.19 0.06 -0.25 0.00 0.84 0.00 0.00 57.88 58.73 1qry h LEU 27 Cb 0.51 0.02 0.01 0.00 0.37 0.00 0.00 40.66 41.56 1qry h LEU 27 CO -0.86 0.05 -1.06 -0.33 -0.34 0.00 0.00 178.44 175.90 1qry h GLU 28 N 0.27 0.41 -0.42 1.25 5.08 2.52 -3.09 114.58 120.60 1qry h GLU 28 Ca 0.59 -0.51 0.08 0.00 -1.00 0.00 0.00 59.36 58.53 1qry h GLU 28 Cb 1.75 0.16 -0.02 0.00 0.50 0.00 0.00 28.75 31.14 1qry h GLU 28 CO -0.23 1.18 0.29 0.00 -1.00 0.00 0.00 179.01 179.25 1qry h ARG 29 N 0.20 0.21 -0.60 2.33 2.47 0.87 -0.50 114.38 119.35 1qry h ARG 29 Ca -0.11 -0.01 0.02 0.00 -1.26 0.00 0.00 59.98 58.62 1qry h ARG 29 Cb 1.73 -0.05 -0.04 0.00 -1.65 0.00 0.00 29.97 29.96 1qry h ARG 29 CO 0.18 0.14 0.38 -0.09 0.56 0.00 0.00 179.97 181.14 1qry h ARG 30 N 0.21 0.73 -0.69 0.04 1.12 -1.12 0.55 114.38 115.23 1qry h ARG 30 Ca 0.19 -0.04 0.10 0.00 -1.11 0.00 0.00 59.98 59.11 1qry h ARG 30 Cb 0.48 -0.17 -0.07 0.00 -0.01 0.00 0.00 29.97 30.20 1qry h ARG 30 CO -0.03 0.48 0.33 0.35 -3.11 0.00 0.00 179.97 177.99 1qry h PHE 31 N 0.75 0.59 -0.37 2.20 3.04 -1.19 1.57 116.94 123.54 1qry h PHE 31 Ca 0.23 0.03 -0.12 0.00 3.98 0.00 0.00 57.97 62.09 1qry h PHE 31 Cb -0.02 -0.16 -0.01 0.00 2.56 0.00 0.00 35.95 38.32 1qry h PHE 31 CO -0.05 0.20 -0.25 0.00 -2.02 0.00 0.00 178.31 176.20 1qry h ARG 32 N 0.56 0.81 0.00 1.11 -0.00 -1.27 -2.77 114.38 112.82 1qry h ARG 32 Ca 0.34 -0.38 -0.07 0.00 -0.50 0.00 0.00 59.98 59.37 1qry h ARG 32 Cb 0.38 -0.01 -0.01 0.00 0.00 0.00 0.00 29.97 30.33 1qry h ARG 32 CO -0.28 1.02 -0.33 1.96 0.00 0.00 0.00 179.97 182.34 1qry h GLN 33 N 0.60 0.00 0.00 0.04 4.20 0.22 -3.45 115.11 116.72 1qry h GLN 33 Ca 0.07 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.78 1qry h GLN 33 Cb 0.81 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.59 1qry h GLN 33 CO 0.07 0.33 0.00 0.94 -0.67 0.00 0.00 178.83 179.49 1qry n GLN 34 N -3.50 3.90 0.00 1.46 -0.06 0.53 -5.07 117.38 114.64 1qry n GLN 34 Ca -0.00 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 55.00 1qry n GLN 34 Cb 0.48 0.00 0.00 0.00 -4.06 0.00 0.00 30.24 26.66 1qry n GLN 34 CO 0.00 0.00 0.00 2.89 -0.20 0.00 0.00 177.06 179.75 1qry n ARG 35 N 0.00 0.00 -3.15 3.69 1.85 -1.24 -4.76 116.66 113.05 1qry n ARG 35 Ca 0.00 0.00 -0.22 0.00 -1.00 0.00 0.00 57.85 56.63 1qry n ARG 35 Cb 0.00 -0.04 -0.04 0.00 -1.05 0.00 0.00 32.46 31.33 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 -2.21 1.35 -0.85 2.89 0.18 -1.26 -5.03 117.16 112.23 1qry n TYR 36 Ca 0.00 -3.85 -0.33 0.00 1.88 0.00 0.00 57.90 55.60 1qry n TYR 36 Cb 0.00 -0.44 -0.05 0.00 -0.38 0.00 0.00 39.34 38.47 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 0.37 0.42 0.00 -3.48 4.32 -1.26 -4.91 117.00 112.47 1qry n LEU 37 Ca 0.26 0.60 0.00 0.00 -0.02 0.00 0.00 56.01 56.85 1qry n LEU 37 Cb 0.55 -0.45 0.00 0.00 -1.62 0.00 0.00 43.42 41.90 1qry n LEU 37 CO 0.25 -0.59 0.00 -1.54 -1.22 0.00 0.00 177.39 174.29 1qry n SER 38 N 1.64 0.00 0.05 -1.43 3.41 -1.26 -4.87 113.62 111.15 1qry n SER 38 Ca 0.14 0.00 -0.01 0.00 -0.26 0.00 0.00 58.87 58.74 1qry n SER 38 Cb -0.01 0.00 -0.07 0.00 -0.26 0.00 0.00 64.21 63.87 1qry n SER 38 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1qry h ALA 39 N -0.96 0.65 -0.00 7.33 0.00 -2.00 -3.36 119.26 120.92 1qry h ALA 39 Ca 0.00 -0.86 0.00 0.00 0.00 0.00 0.00 54.91 54.05 1qry h ALA 39 Cb 0.00 0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.99 1qry h ALA 39 CO 0.00 0.98 -0.77 -0.35 0.00 0.00 0.00 179.25 179.11 1qry n PRO 40 N -3.01 0.97 0.03 0.00 -0.04 -1.26 -3.88 135.00 127.80 1qry n PRO 40 Ca -0.08 -0.23 -0.17 0.00 -0.04 0.00 0.00 63.50 62.98 1qry n PRO 40 Cb 0.86 -1.39 -0.14 0.00 -0.04 0.00 0.00 33.50 32.79 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 0.55 0.21 -0.01 0.54 3.07 -1.92 -3.33 114.58 113.70 1qry h GLU 41 Ca 0.00 -0.36 0.00 0.00 -0.50 0.00 0.00 59.36 58.50 1qry h GLU 41 Cb 0.50 0.13 0.00 0.00 -0.84 0.00 0.00 28.75 28.54 1qry h GLU 41 CO 0.00 1.03 -0.18 2.89 -1.40 0.00 0.00 179.01 181.35 1qry n ARG 42 N -3.39 0.73 0.02 2.33 -4.01 -1.26 -2.93 116.66 108.16 1qry n ARG 42 Ca -0.22 -0.34 0.13 0.00 -1.04 0.00 0.00 57.85 56.38 1qry n ARG 42 Cb 1.05 -1.49 0.45 0.00 -3.04 0.00 0.00 32.46 29.43 1qry n ARG 42 CO 0.00 0.00 0.00 0.39 -3.04 0.00 0.00 177.63 174.98 1qry n GLU 43 N -0.83 0.06 -0.01 2.89 -0.58 -1.25 -2.32 120.64 118.60 1qry n GLU 43 Ca 0.13 0.04 -0.17 0.00 -0.42 0.00 0.00 57.16 56.74 1qry n GLU 43 Cb 0.31 -1.56 -0.14 0.00 -0.57 0.00 0.00 31.44 29.48 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 0.27 0.04 -0.32 2.76 -1.68 -3.31 115.15 112.92 1qry h HIS 44 Ca 0.00 -0.20 0.02 0.00 -2.20 0.00 0.00 60.37 57.99 1qry h HIS 44 Cb 0.56 -0.01 -0.03 0.00 1.55 0.00 0.00 27.41 29.47 1qry h HIS 44 CO 0.00 1.18 -0.21 1.25 -1.30 0.00 0.00 177.93 178.86 1qry h LEU 45 N -0.68 -0.60 0.00 0.26 5.85 -1.65 0.34 115.31 118.83 1qry h LEU 45 Ca -0.09 0.08 0.00 0.00 0.84 0.00 0.00 57.88 58.71 1qry h LEU 45 Cb 1.34 0.24 0.00 0.00 0.37 0.00 0.00 40.66 42.61 1qry h LEU 45 CO 0.07 -0.28 0.77 0.35 -0.34 0.00 0.00 178.44 179.01 1qry n THR 46 N -5.33 0.00 0.04 1.05 -2.24 -0.98 0.55 114.28 107.37 1qry n THR 46 Ca -0.05 0.77 -0.22 0.00 -2.27 0.00 0.00 64.05 62.27 1qry n THR 46 Cb 0.25 -1.76 -0.14 0.00 -2.10 0.00 0.00 70.33 66.57 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 0.53 0.00 3.42 4.64 -0.41 -3.23 113.55 118.50 1qry h SER 47 Ca 0.00 -0.94 0.00 0.00 -0.47 0.00 0.00 61.79 60.38 1qry h SER 47 Cb 1.54 -0.17 0.00 0.00 -0.31 0.00 0.00 62.40 63.45 1qry h SER 47 CO 0.00 1.81 0.00 0.18 -0.87 0.00 0.00 176.83 177.95 1qry n LEU 48 N -3.54 0.00 -1.27 5.97 7.99 2.19 -4.30 117.00 124.05 1qry n LEU 48 Ca -0.28 0.00 -0.03 0.00 -0.01 0.00 0.00 56.01 55.69 1qry n LEU 48 Cb 1.06 0.00 0.12 0.00 -0.11 0.00 0.00 43.42 44.49 1qry n LEU 48 CO 0.48 0.00 0.65 2.30 -1.51 0.00 0.00 177.39 179.31 1qry n ILE 49 N 0.00 1.48 -0.19 -0.08 -0.00 -1.14 -4.86 119.36 114.57 1qry n ILE 49 Ca 0.00 -0.65 0.00 0.00 -0.00 0.00 0.00 62.75 62.10 1qry n ILE 49 Cb 0.00 -0.60 0.00 0.00 -0.00 0.00 0.00 39.64 39.04 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 0.05 -0.21 -1.52 6.28 1.74 -1.22 -4.74 116.66 117.04 1qry n ARG 50 Ca 0.17 0.02 -0.28 0.00 -0.77 0.00 0.00 57.85 56.99 1qry n ARG 50 Cb 0.79 -2.33 -0.15 0.00 -1.02 0.00 0.00 32.46 29.75 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 0.12 -2.48 0.55 4.77 -1.26 -4.63 117.00 114.07 1qry n LEU 51 Ca 0.00 -0.49 -0.30 0.00 -0.03 0.00 0.00 56.01 55.19 1qry n LEU 51 Cb 0.02 -0.98 -0.03 0.00 -2.33 0.00 0.00 43.42 40.09 1qry n LEU 51 CO 0.00 -1.45 0.17 0.35 -1.33 0.00 0.00 177.39 175.13 1qry n THR 52 N 7.01 0.51 -0.11 -5.08 -2.24 -1.26 -3.84 114.28 109.27 1qry n THR 52 Ca 0.60 -0.13 -0.03 0.00 -2.27 0.00 0.00 64.05 62.22 1qry n THR 52 Cb 0.21 0.00 -0.03 0.00 -2.10 0.00 0.00 70.33 68.41 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 0.71 -0.11 -0.28 -0.78 -0.04 -1.26 0.50 135.00 133.73 1qry n PRO 53 Ca 0.11 1.06 0.08 0.00 -0.04 0.00 0.00 63.50 64.70 1qry n PRO 53 Cb 0.09 -1.57 0.20 0.00 -0.04 0.00 0.00 33.50 32.17 1qry n PRO 53 CO 0.00 0.00 0.00 1.15 -0.04 0.00 0.00 175.50 176.61 1qry h THR 54 N 0.00 0.27 0.19 0.52 2.02 -1.94 0.20 112.91 114.17 1qry h THR 54 Ca 0.04 -0.03 0.01 0.00 0.77 0.00 0.00 66.41 67.20 1qry h THR 54 Cb 0.10 0.16 -0.03 0.00 -1.74 0.00 0.00 68.15 66.65 1qry h THR 54 CO -0.24 0.02 -0.27 1.56 0.37 0.00 0.00 175.52 176.96 1qry h GLN 55 N 0.10 -0.50 -0.69 6.66 1.08 -0.22 0.83 115.11 122.37 1qry h GLN 55 Ca 0.47 0.03 0.14 0.00 -1.45 0.00 0.00 58.65 57.84 1qry h GLN 55 Cb 0.86 0.11 -0.13 0.00 -0.05 0.00 0.00 27.48 28.27 1qry h GLN 55 CO -0.72 -0.33 -0.18 0.28 -0.95 0.00 0.00 178.83 176.93 1qry h VAL 56 N -0.52 0.30 0.27 -0.54 2.07 0.22 0.79 116.25 118.84 1qry h VAL 56 Ca 0.01 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.52 1qry h VAL 56 Cb 0.51 0.30 0.00 0.00 -1.52 0.00 0.00 31.29 30.59 1qry h VAL 56 CO -0.11 0.00 -0.13 0.50 0.02 0.00 0.00 177.57 177.85 1qry h LYS 57 N -0.00 -0.35 -0.01 1.57 3.64 -0.17 -1.68 116.57 119.57 1qry h LYS 57 Ca 0.33 0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.74 1qry h LYS 57 Cb 0.51 0.08 -0.00 0.00 -0.41 0.00 0.00 32.23 32.41 1qry h LYS 57 CO -0.72 -0.12 0.07 0.82 -2.27 0.00 0.00 179.45 177.23 1qry h ILE 58 N -0.52 0.07 -0.02 2.00 1.08 0.23 -1.64 117.51 118.72 1qry h ILE 58 Ca -0.04 0.00 -0.04 0.00 -0.39 0.00 0.00 64.86 64.39 1qry h ILE 58 Cb 0.39 0.93 0.00 0.00 -3.07 0.00 0.00 36.82 35.07 1qry h ILE 58 CO 0.06 0.00 -0.14 -0.25 -0.69 0.00 0.00 178.15 177.13 1qry h TRP 59 N 0.00 0.18 -0.93 1.37 7.01 0.14 -3.18 115.95 120.54 1qry h TRP 59 Ca 0.00 -0.08 0.19 0.00 2.11 0.00 0.00 58.89 61.11 1qry h TRP 59 Cb 0.14 -0.03 -0.11 0.00 -2.10 0.00 0.00 29.16 27.07 1qry h TRP 59 CO 0.00 0.82 0.50 0.74 -2.79 0.00 0.00 178.44 177.71 1qry h PHE 60 N -0.51 0.87 -0.50 2.65 -1.00 -0.71 -0.97 116.94 116.76 1qry h PHE 60 Ca -0.01 0.04 0.08 0.00 2.81 0.00 0.00 57.97 60.89 1qry h PHE 60 Cb 0.85 -0.24 -0.10 0.00 3.61 0.00 0.00 35.95 40.06 1qry h PHE 60 CO 0.16 0.13 -0.40 0.37 -1.61 0.00 0.00 178.31 176.96 1qry h GLN 61 N 0.61 -0.25 -0.31 1.51 4.15 -1.50 5.36 115.11 124.69 1qry h GLN 61 Ca 0.55 0.02 0.03 0.00 0.77 0.00 0.00 58.65 60.01 1qry h GLN 61 Cb 0.91 0.06 -0.03 0.00 0.21 0.00 0.00 27.48 28.62 1qry h GLN 61 CO -0.42 -0.17 0.12 -0.97 -1.93 0.00 0.00 178.83 175.46 1qry h ASN 62 N -0.26 0.15 0.02 -0.69 -1.24 -1.27 -3.03 115.58 109.26 1qry h ASN 62 Ca 0.17 0.03 -0.00 0.00 0.71 0.00 0.00 56.30 57.21 1qry h ASN 62 Cb 0.57 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.62 1qry h ASN 62 CO -0.63 0.12 -0.01 0.45 -1.29 0.00 0.00 177.43 176.08 1qry h HIS 63 N 0.27 -0.02 0.00 0.67 3.86 -0.63 -2.49 115.15 116.81 1qry h HIS 63 Ca 0.13 -0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.34 1qry h HIS 63 Cb 0.09 0.01 0.00 0.00 1.06 0.00 0.00 27.41 28.56 1qry h HIS 63 CO -0.12 0.60 0.00 -2.13 0.86 0.00 0.00 177.93 177.14 1qry n ARG 64 N -4.80 0.00 -0.05 2.45 3.00 1.73 0.51 116.66 119.51 1qry n ARG 64 Ca -0.09 0.51 -0.03 0.00 -0.00 0.00 0.00 57.85 58.24 1qry n ARG 64 Cb 0.31 -0.78 0.21 0.00 0.00 0.00 0.00 32.46 32.20 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 0.68 -0.00 -0.14 5.03 -1.67 -2.00 116.97 118.87 1qry h TYR 65 Ca 0.00 -0.10 0.00 0.00 2.58 0.00 0.00 58.73 61.21 1qry h TYR 65 Cb 0.00 -0.18 0.00 0.00 1.55 0.00 0.00 36.73 38.10 1qry h TYR 65 CO -0.45 0.69 -0.02 1.17 -1.32 0.00 0.00 178.16 178.23 1qry n LYS 66 N -4.21 0.12 -0.02 1.82 4.81 0.27 -3.62 118.16 117.33 1qry n LYS 66 Ca 0.01 -0.00 -0.21 0.00 -0.87 0.00 0.00 58.31 57.24 1qry n LYS 66 Cb 0.31 -1.50 -0.13 0.00 0.02 0.00 0.00 35.03 33.73 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 0.01 0.99 0.00 3.15 1.35 1.30 -3.24 112.91 116.48 1qry h THR 67 Ca 0.00 -2.34 0.00 0.00 -0.55 0.00 0.00 66.41 63.52 1qry h THR 67 Cb 0.44 2.61 0.00 0.00 -1.73 0.00 0.00 68.15 69.47 1qry h THR 67 CO 0.00 0.63 0.48 0.07 -0.25 0.00 0.00 175.52 176.45 1qry h LYS 68 N -0.46 0.00 0.07 4.72 2.10 -1.52 -1.36 116.57 120.12 1qry h LYS 68 Ca -0.31 0.00 -0.00 0.00 -2.00 0.00 0.00 60.65 58.33 1qry h LYS 68 Cb 1.64 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.97 1qry h LYS 68 CO -0.01 0.00 -0.03 0.00 -2.00 0.00 0.00 179.45 177.41 1qry h ARG 69 N 0.00 -0.09 -1.04 0.07 2.47 -1.67 -3.27 114.38 110.85 1qry h ARG 69 Ca 0.00 0.01 0.33 0.00 -1.26 0.00 0.00 59.98 59.05 1qry h ARG 69 Cb 0.96 0.02 -0.14 0.00 -1.65 0.00 0.00 29.97 29.16 1qry h ARG 69 CO 0.00 -0.06 0.61 0.00 0.56 0.00 0.00 179.97 181.08 1qry h ALA 70 N -1.62 2.07 -0.27 0.04 0.00 -1.30 0.10 119.26 118.28 1qry h ALA 70 Ca -0.01 0.17 0.06 0.00 0.00 0.00 0.00 54.91 55.13 1qry h ALA 70 Cb 0.07 0.14 -0.08 0.00 0.00 0.00 0.00 17.79 17.93 1qry h ALA 70 CO 0.02 -0.66 -0.36 1.96 0.00 0.00 0.00 179.25 180.21 1qry h GLN 71 N 0.31 -0.34 0.00 0.00 1.08 -1.47 0.51 115.11 115.20 1qry h GLN 71 Ca 0.73 0.02 -0.00 0.00 -1.45 0.00 0.00 58.65 57.95 1qry h GLN 71 Cb 1.75 0.08 -0.00 0.00 -0.05 0.00 0.00 27.48 29.26 1qry h GLN 71 CO -0.55 -0.23 -0.00 -0.97 -0.95 0.00 0.00 178.83 176.13 1qry h ASN 72 N -0.35 0.00 -0.25 1.46 -0.73 -0.85 0.79 115.58 115.65 1qry h ASN 72 Ca 0.13 0.00 0.00 0.00 1.87 0.00 0.00 56.30 58.30 1qry h ASN 72 Cb 0.56 0.00 0.00 0.00 0.27 0.00 0.00 38.32 39.15 1qry h ASN 72 CO -0.46 0.00 0.00 1.21 -0.37 0.00 0.00 177.43 177.81 1qry n GLU 73 N -3.59 2.04 0.00 6.67 2.13 0.17 -4.81 120.64 123.25 1qry n GLU 73 Ca -0.03 -1.08 0.00 0.00 0.66 0.00 0.00 57.16 56.71 1qry n GLU 73 Cb 0.08 -1.49 0.00 0.00 0.27 0.00 0.00 31.44 30.29 1qry n GLU 73 CO 0.00 0.00 0.00 1.17 -0.41 0.00 0.00 177.13 177.89 1qry n LYS 74 N 0.27 3.55 0.00 5.31 4.81 0.28 -5.03 118.16 127.34 1qry n LYS 74 Ca 0.10 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.54 1qry n LYS 74 Cb 0.41 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.46 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 4.44 -0.82 3.40 3.14 0.00 -1.26 -5.04 105.19 109.04 1qry n GLY 75 Ca 0.00 -0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.79 1qry n GLY 75 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1qry s TYR 76 N 0.00 1.76 -0.51 1.61 2.02 -1.26 -4.90 117.35 116.07 1qry s TYR 76 Ca 0.00 -1.49 0.24 0.00 -0.37 0.00 0.00 57.07 55.44 1qry s TYR 76 Cb 0.00 -0.92 0.27 0.00 -0.40 0.00 0.00 41.96 40.90 1qry s TYR 76 CO 0.00 -0.61 1.29 0.93 -1.57 0.00 0.00 175.55 175.59 1qry h GLU 77 N 1.96 0.00 0.00 -0.62 4.39 -1.96 -3.49 114.58 114.85 1qry h GLU 77 Ca -0.30 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.40 1qry h GLU 77 Cb 1.25 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.90 1qry h GLU 77 CO 0.46 0.00 0.00 0.41 -1.16 0.00 0.00 179.01 178.72 1qry n GLY 78 N 1.27 4.02 2.93 -3.84 0.00 -1.26 -5.10 105.19 103.22 1qry n GLY 78 Ca 0.02 -0.80 -0.31 0.00 0.00 0.00 0.00 46.02 44.94 1qry n GLY 78 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1qry s HIS 79 N -1.97 3.10 -2.67 1.61 2.46 -1.26 -5.28 115.29 111.28 1qry s HIS 79 Ca 0.00 -2.58 0.27 0.00 0.47 0.00 0.00 55.06 53.22 1qry s HIS 79 Cb 0.00 -2.51 0.76 0.00 -0.13 0.00 0.00 32.58 30.71 1qry s HIS 79 CO 0.00 -0.92 1.58 -0.35 -2.47 0.00 0.00 174.74 172.58