#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 0.89 0.00 1.61 7.64 -1.26 -5.16 113.62 117.34 1qry n SER 2 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 1qry n SER 2 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 1qry n SER 2 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1qry n HIS 3 N 0.00 0.00 -0.09 1.43 1.44 -1.26 -4.90 115.22 111.84 1qry n HIS 3 Ca 0.00 0.00 0.22 0.00 -2.01 0.00 0.00 57.72 55.93 1qry n HIS 3 Cb 0.00 0.00 0.36 0.00 0.12 0.00 0.00 29.99 30.47 1qry n HIS 3 CO 0.00 0.00 0.00 0.52 -2.81 0.00 0.00 176.34 174.05 1qry h MET 4 N 0.00 0.00 -5.92 -1.40 2.07 -2.09 -3.44 114.93 104.15 1qry h MET 4 Ca 0.00 0.00 -0.21 0.00 -2.07 0.00 0.00 59.70 57.42 1qry h MET 4 Cb 0.00 0.00 0.01 0.00 -1.87 0.00 0.00 31.60 29.74 1qry h MET 4 CO 0.00 0.00 -1.00 -1.13 1.07 0.00 0.00 176.91 175.85 1qry n SER 5 N -3.10 -5.19 -4.40 1.22 3.41 -1.26 -4.91 113.62 99.39 1qry n SER 5 Ca 0.18 0.05 -0.34 0.00 -0.26 0.00 0.00 58.87 58.49 1qry n SER 5 Cb 1.39 -1.39 -0.13 0.00 -0.26 0.00 0.00 64.21 63.82 1qry n SER 5 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 1qry s ASP 6 N -1.12 4.49 0.00 4.04 1.11 -1.26 -4.86 116.67 119.06 1qry s ASP 6 Ca 0.21 -0.27 0.00 0.00 0.18 0.00 0.00 52.55 52.67 1qry s ASP 6 Cb -0.02 -1.75 0.00 0.00 1.07 0.00 0.00 42.92 42.22 1qry s ASP 6 CO 0.47 0.08 0.00 0.61 1.18 0.00 0.00 175.17 177.51 1qry n GLY 7 N 4.13 0.75 3.01 0.21 0.00 -1.26 -4.95 105.19 107.09 1qry n GLY 7 Ca -0.18 -0.93 -0.31 0.00 0.00 0.00 0.00 46.02 44.60 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 4.70 0.00 0.99 1.02 -1.26 -5.01 118.68 119.12 1qry s LEU 8 Ca 0.00 -2.17 0.00 0.00 0.02 0.00 0.00 54.13 51.98 1qry s LEU 8 Cb 0.00 -1.61 0.00 0.00 0.02 0.00 0.00 46.19 44.60 1qry s LEU 8 CO 0.00 -0.38 0.91 -2.65 0.02 0.00 0.00 176.35 174.26 1qry n PRO 9 N 4.24 0.00 0.05 1.29 -0.02 -1.26 -0.27 135.00 139.03 1qry n PRO 9 Ca 0.04 0.58 0.02 0.00 -2.02 0.00 0.00 63.50 62.11 1qry n PRO 9 Cb 0.42 -1.41 0.08 0.00 -0.02 0.00 0.00 33.50 32.57 1qry n PRO 9 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1qry n ASN 10 N -2.04 0.08 -3.76 2.55 4.13 -1.26 -4.72 115.26 110.24 1qry n ASN 10 Ca 0.00 0.30 -0.24 0.00 1.68 0.00 0.00 54.58 56.32 1qry n ASN 10 Cb 0.00 -0.26 0.03 0.00 -1.54 0.00 0.00 39.78 38.01 1qry n ASN 10 CO 0.00 0.00 0.00 0.29 0.28 0.00 0.00 177.26 177.83 1qry n LYS 11 N -1.46 -5.09 -3.41 3.52 4.76 0.63 -4.91 118.16 112.20 1qry n LYS 11 Ca -0.00 0.61 -0.45 0.00 -2.87 0.00 0.00 58.31 55.60 1qry n LYS 11 Cb 0.33 -5.26 -0.03 0.00 -1.84 0.00 0.00 35.03 28.23 1qry n LYS 11 CO 0.00 0.00 0.00 0.15 -1.37 0.00 0.00 177.40 176.18 1qry s LYS 12 N -6.17 3.43 -0.58 1.97 1.02 -1.26 -4.98 119.74 113.17 1qry s LYS 12 Ca 0.19 -2.52 -0.02 0.00 0.02 0.00 0.00 55.97 53.64 1qry s LYS 12 Cb -0.09 -4.30 0.15 0.00 -0.52 0.00 0.00 37.83 33.07 1qry s LYS 12 CO 0.82 -1.27 0.38 0.50 -0.92 0.00 0.00 175.35 174.86 1qry s ARG 13 N 0.04 2.39 0.00 1.68 3.52 -1.26 -5.00 118.95 120.33 1qry s ARG 13 Ca 0.18 -2.46 0.00 0.00 -0.13 0.00 0.00 55.73 53.33 1qry s ARG 13 Cb -0.12 -3.64 0.00 0.00 -1.56 0.00 0.00 34.95 29.63 1qry s ARG 13 CO -0.08 -1.15 0.49 1.17 -0.81 0.00 0.00 175.30 174.92 1qry n LYS 14 N 3.56 0.00 -2.57 5.12 4.81 -1.26 -4.80 118.16 123.03 1qry n LYS 14 Ca 0.06 0.49 0.00 0.00 -0.87 0.00 0.00 58.31 57.99 1qry n LYS 14 Cb 0.37 -0.83 0.00 0.00 0.02 0.00 0.00 35.03 34.59 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 -1.63 -0.26 -3.50 1.64 0.63 -1.26 -4.92 116.66 107.36 1qry n ARG 15 Ca 0.00 0.62 -0.22 0.00 -0.92 0.00 0.00 57.85 57.33 1qry n ARG 15 Cb 0.00 -0.74 -0.01 0.00 0.45 0.00 0.00 32.46 32.16 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 -0.71 3.31 -0.02 -0.14 3.52 -1.26 -5.12 118.95 118.53 1qry s ARG 16 Ca 0.00 -0.64 -0.15 0.00 -0.13 0.00 0.00 55.73 54.81 1qry s ARG 16 Cb 0.00 -2.74 0.03 0.00 -1.56 0.00 0.00 34.95 30.67 1qry s ARG 16 CO 0.00 0.13 0.33 0.08 -0.81 0.00 0.00 175.30 175.03 1qry s VAL 17 N -2.23 0.05 0.17 7.11 1.01 -1.26 -5.17 120.40 120.07 1qry s VAL 17 Ca 0.41 -0.42 -0.12 0.00 0.00 0.00 0.00 61.98 61.85 1qry s VAL 17 Cb -0.09 -0.62 0.00 0.00 0.00 0.00 0.00 36.38 35.67 1qry s VAL 17 CO 0.33 -0.23 0.35 -1.48 0.00 0.00 0.00 175.10 174.07 1qry s LEU 18 N -1.21 0.71 0.04 3.92 2.34 -1.26 -5.17 118.68 118.05 1qry s LEU 18 Ca -0.12 -0.72 0.03 0.00 0.06 0.00 0.00 54.13 53.38 1qry s LEU 18 Cb -0.05 1.49 -0.02 0.00 -0.56 0.00 0.00 46.19 47.05 1qry s LEU 18 CO 0.04 -0.93 -0.10 -0.36 -1.06 0.00 0.00 176.35 173.94 1qry s PHE 19 N -3.93 0.88 -0.26 3.48 0.40 -1.26 -5.13 117.98 112.16 1qry s PHE 19 Ca 0.13 -0.39 -0.09 0.00 -0.60 0.00 0.00 56.93 55.98 1qry s PHE 19 Cb 0.02 -0.52 -0.04 0.00 0.51 0.00 0.00 43.02 42.99 1qry s PHE 19 CO -0.02 -0.02 0.13 0.95 0.70 0.00 0.00 175.22 176.97 1qry s THR 20 N -1.04 4.85 0.63 0.64 -4.23 -1.26 -4.91 115.64 110.33 1qry s THR 20 Ca -0.04 0.01 0.14 0.00 -1.18 0.00 0.00 61.69 60.62 1qry s THR 20 Cb -0.08 -3.29 0.20 0.00 1.34 0.00 0.00 72.50 70.67 1qry s THR 20 CO 0.01 0.29 1.14 1.17 -0.54 0.00 0.00 174.62 176.69 1qry n LYS 21 N 4.97 0.02 0.06 3.99 4.81 -1.26 0.70 118.16 131.46 1qry n LYS 21 Ca -0.15 0.98 -0.02 0.00 -0.87 0.00 0.00 58.31 58.24 1qry n LYS 21 Cb 0.52 -2.53 -0.01 0.00 0.02 0.00 0.00 35.03 33.03 1qry n LYS 21 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1qry h ALA 22 N 0.27 -0.73 -3.00 3.14 0.00 -1.98 0.59 119.26 117.56 1qry h ALA 22 Ca 0.26 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.13 1qry h ALA 22 Cb 2.47 0.06 0.00 0.00 0.00 0.00 0.00 17.79 20.32 1qry h ALA 22 CO -0.00 -0.71 0.00 1.04 0.00 0.00 0.00 179.25 179.57 1qry n GLN 23 N -2.55 0.00 -0.24 0.00 6.02 0.22 0.95 117.38 121.78 1qry n GLN 23 Ca -0.02 0.21 0.22 0.00 -0.01 0.00 0.00 57.00 57.40 1qry n GLN 23 Cb 0.06 -0.74 0.34 0.00 1.02 0.00 0.00 30.24 30.92 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 -0.45 0.00 0.00 5.09 -1.04 -1.09 -0.31 114.28 116.48 1qry n THR 24 Ca 0.00 0.77 0.00 0.00 -2.04 0.00 0.00 64.05 62.78 1qry n THR 24 Cb 0.00 -1.34 0.00 0.00 -1.82 0.00 0.00 70.33 67.17 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 -2.68 0.00 -0.35 -1.42 9.36 0.27 0.24 117.16 122.58 1qry n TYR 25 Ca 0.18 0.00 0.26 0.00 3.32 0.00 0.00 57.90 61.66 1qry n TYR 25 Cb 0.99 -0.28 0.51 0.00 -0.63 0.00 0.00 39.34 39.93 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 0.28 0.19 2.98 5.08 -0.25 1.47 114.58 124.33 1qry h GLU 26 Ca 0.00 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.34 1qry h GLU 26 Cb 0.00 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.18 1qry h GLU 26 CO 0.00 0.19 -0.16 1.25 -1.00 0.00 0.00 179.01 179.29 1qry h LEU 27 N 0.29 -0.41 -0.87 1.33 6.46 -0.65 -1.29 115.31 120.18 1qry h LEU 27 Ca 0.74 0.04 -0.02 0.00 -0.12 0.00 0.00 57.88 58.51 1qry h LEU 27 Cb 1.81 0.14 -0.04 0.00 -0.73 0.00 0.00 40.66 41.83 1qry h LEU 27 CO -0.55 -0.24 0.46 -0.33 -0.62 0.00 0.00 178.44 177.16 1qry h GLU 28 N -0.36 1.22 -0.74 1.25 4.39 1.30 -0.68 114.58 120.96 1qry h GLU 28 Ca -0.01 -0.15 0.17 0.00 0.34 0.00 0.00 59.36 59.72 1qry h GLU 28 Cb 0.33 -0.24 -0.04 0.00 -0.10 0.00 0.00 28.75 28.70 1qry h GLU 28 CO -0.02 0.91 0.51 0.00 -1.16 0.00 0.00 179.01 179.25 1qry h ARG 29 N 1.22 0.24 0.00 2.33 3.08 0.13 0.92 114.38 122.30 1qry h ARG 29 Ca 0.30 -0.01 -0.11 0.00 0.07 0.00 0.00 59.98 60.23 1qry h ARG 29 Cb 0.05 -0.05 -0.02 0.00 0.08 0.00 0.00 29.97 30.03 1qry h ARG 29 CO -0.05 0.16 -0.52 -0.09 -1.07 0.00 0.00 179.97 178.41 1qry h ARG 30 N 0.25 0.00 -0.96 0.04 1.12 0.00 -2.78 114.38 112.06 1qry h ARG 30 Ca 0.36 0.00 0.16 0.00 -1.11 0.00 0.00 59.98 59.39 1qry h ARG 30 Cb 1.06 0.00 -0.08 0.00 -0.01 0.00 0.00 29.97 30.94 1qry h ARG 30 CO -0.08 0.52 0.61 0.35 -3.11 0.00 0.00 179.97 178.25 1qry h PHE 31 N 0.00 0.95 -0.10 2.20 3.04 0.11 1.05 116.94 124.20 1qry h PHE 31 Ca -0.01 0.03 -0.24 0.00 3.98 0.00 0.00 57.97 61.74 1qry h PHE 31 Cb 0.95 -0.30 0.01 0.00 2.56 0.00 0.00 35.95 39.18 1qry h PHE 31 CO 0.00 0.31 -0.87 0.00 -2.02 0.00 0.00 178.31 175.73 1qry h ARG 32 N 0.77 0.76 -0.00 1.11 -0.00 -1.44 -2.83 114.38 112.74 1qry h ARG 32 Ca 0.50 -0.69 0.00 0.00 -0.50 0.00 0.00 59.98 59.30 1qry h ARG 32 Cb 0.76 0.16 0.00 0.00 0.00 0.00 0.00 29.97 30.90 1qry h ARG 32 CO -0.27 1.28 0.00 1.04 0.00 0.00 0.00 179.97 182.02 1qry n GLN 33 N -3.92 1.02 -3.64 0.04 6.02 0.04 -4.80 117.38 112.15 1qry n GLN 33 Ca -0.09 -0.03 -0.06 0.00 -0.01 0.00 0.00 57.00 56.81 1qry n GLN 33 Cb 0.79 -1.40 -0.06 0.00 1.02 0.00 0.00 30.24 30.59 1qry n GLN 33 CO 0.00 0.00 0.00 -1.14 -1.01 0.00 0.00 177.06 174.91 1qry s GLN 34 N -2.00 0.26 0.00 -1.09 2.00 0.34 -5.03 119.66 114.15 1qry s GLN 34 Ca 0.38 0.25 0.09 0.00 -2.00 0.00 0.00 55.36 54.08 1qry s GLN 34 Cb 0.17 0.13 -0.07 0.00 0.80 0.00 0.00 33.01 34.05 1qry s GLN 34 CO 0.29 -0.05 0.48 2.89 -0.50 0.00 0.00 175.29 178.41 1qry n ARG 35 N 1.57 3.27 -2.90 1.67 1.85 -1.24 -3.66 116.66 117.20 1qry n ARG 35 Ca -0.10 -0.22 -0.13 0.00 -1.00 0.00 0.00 57.85 56.41 1qry n ARG 35 Cb 0.57 -0.99 0.02 0.00 -1.05 0.00 0.00 32.46 31.01 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 -0.87 -0.15 -1.05 2.89 0.18 -1.26 -5.09 117.16 111.80 1qry n TYR 36 Ca 0.03 -3.07 -0.41 0.00 1.88 0.00 0.00 57.90 56.32 1qry n TYR 36 Cb 0.17 0.06 -0.06 0.00 -0.38 0.00 0.00 39.34 39.13 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 0.09 0.21 0.00 -3.48 4.32 -1.26 -4.91 117.00 111.97 1qry n LEU 37 Ca 0.14 0.79 0.00 0.00 -0.02 0.00 0.00 56.01 56.92 1qry n LEU 37 Cb 0.74 -0.61 0.00 0.00 -1.62 0.00 0.00 43.42 41.92 1qry n LEU 37 CO 0.18 -1.10 0.00 -1.54 -1.22 0.00 0.00 177.39 173.71 1qry n SER 38 N 1.45 0.00 0.06 -1.43 3.41 -1.26 -4.70 113.62 111.14 1qry n SER 38 Ca 0.15 0.00 -0.17 0.00 -0.26 0.00 0.00 58.87 58.59 1qry n SER 38 Cb 0.03 0.00 -0.14 0.00 -0.26 0.00 0.00 64.21 63.84 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 0.60 0.30 0.00 7.33 0.00 -1.98 -2.17 119.26 123.33 1qry h ALA 39 Ca 0.00 -1.15 -0.19 0.00 0.00 0.00 0.00 54.91 53.57 1qry h ALA 39 Cb 0.00 0.33 -0.03 0.00 0.00 0.00 0.00 17.79 18.09 1qry h ALA 39 CO 0.00 1.17 -1.19 -1.00 0.00 0.00 0.00 179.25 178.23 1qry h PRO 40 N 0.07 0.00 0.04 0.00 0.13 -1.99 -3.27 132.00 126.98 1qry h PRO 40 Ca -0.27 0.00 -0.21 0.00 -0.87 0.00 0.00 66.00 64.65 1qry h PRO 40 Cb 2.02 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 33.14 1qry h PRO 40 CO 0.15 0.51 -1.13 0.93 -0.23 0.00 0.00 178.00 178.24 1qry h GLU 41 N 0.00 0.09 -0.56 0.86 3.07 -1.93 -3.35 114.58 112.75 1qry h GLU 41 Ca -0.12 -0.15 0.11 0.00 -0.50 0.00 0.00 59.36 58.70 1qry h GLU 41 Cb 1.66 0.06 -0.11 0.00 -0.84 0.00 0.00 28.75 29.52 1qry h GLU 41 CO 0.07 1.07 -0.27 0.00 -1.40 0.00 0.00 179.01 178.48 1qry h ARG 42 N -0.73 -0.13 -0.60 2.33 3.08 -1.56 0.23 114.38 117.01 1qry h ARG 42 Ca -0.28 0.01 0.11 0.00 0.07 0.00 0.00 59.98 59.89 1qry h ARG 42 Cb 1.43 0.03 -0.11 0.00 0.08 0.00 0.00 29.97 31.40 1qry h ARG 42 CO -0.08 -0.08 -0.19 0.39 -1.07 0.00 0.00 179.97 178.94 1qry n GLU 43 N -5.43 -0.09 -0.33 0.04 -0.58 -1.23 0.36 120.64 113.37 1qry n GLU 43 Ca 0.05 0.93 0.11 0.00 -0.42 0.00 0.00 57.16 57.83 1qry n GLU 43 Cb 0.34 -1.38 0.29 0.00 -0.57 0.00 0.00 31.44 30.13 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 0.95 0.30 -0.32 3.86 -0.69 -1.57 115.15 117.68 1qry h HIS 44 Ca 0.25 0.03 -0.01 0.00 -1.16 0.00 0.00 60.37 59.48 1qry h HIS 44 Cb 0.40 -0.27 0.00 0.00 1.06 0.00 0.00 27.41 28.60 1qry h HIS 44 CO -0.49 0.19 -0.14 1.25 0.86 0.00 0.00 177.93 179.60 1qry h LEU 45 N 0.69 -0.34 0.00 2.43 7.12 0.65 -3.12 115.31 122.74 1qry h LEU 45 Ca 0.55 0.01 0.00 0.00 0.13 0.00 0.00 57.88 58.57 1qry h LEU 45 Cb 0.85 0.09 0.00 0.00 -0.53 0.00 0.00 40.66 41.07 1qry h LEU 45 CO -0.39 0.02 0.73 0.35 -0.13 0.00 0.00 178.44 179.02 1qry n THR 46 N -4.49 0.00 -0.09 1.05 -2.24 0.18 0.37 114.28 109.05 1qry n THR 46 Ca -0.05 0.73 -0.18 0.00 -2.27 0.00 0.00 64.05 62.28 1qry n THR 46 Cb 0.16 -1.72 -0.11 0.00 -2.10 0.00 0.00 70.33 66.55 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 0.00 0.00 3.42 0.87 -1.25 -3.20 113.55 113.39 1qry h SER 47 Ca 0.00 -0.60 0.00 0.00 -1.23 0.00 0.00 61.79 59.96 1qry h SER 47 Cb 1.47 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.43 1qry h SER 47 CO 0.00 1.31 0.00 0.18 -0.53 0.00 0.00 176.83 177.79 1qry n LEU 48 N -4.50 0.00 -1.81 2.23 4.32 1.17 -3.86 117.00 114.56 1qry n LEU 48 Ca -0.25 0.00 -0.15 0.00 -0.02 0.00 0.00 56.01 55.60 1qry n LEU 48 Cb 0.59 0.00 0.13 0.00 -1.62 0.00 0.00 43.42 42.53 1qry n LEU 48 CO 0.22 0.00 1.01 2.30 -1.22 0.00 0.00 177.39 179.70 1qry n ILE 49 N 0.00 2.46 0.00 -0.08 -0.00 -1.13 -4.89 119.36 115.72 1qry n ILE 49 Ca 0.00 -1.28 0.00 0.00 -0.00 0.00 0.00 62.75 61.47 1qry n ILE 49 Cb 0.00 -0.62 0.00 0.00 -0.00 0.00 0.00 39.64 39.02 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 -0.54 0.00 -1.30 6.28 1.74 -1.21 -4.79 116.66 116.83 1qry n ARG 50 Ca 0.39 0.00 -0.56 0.00 -0.77 0.00 0.00 57.85 56.91 1qry n ARG 50 Cb 1.27 -1.66 -0.13 0.00 -1.02 0.00 0.00 32.46 30.92 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 0.66 -4.38 0.55 7.99 -1.26 -4.66 117.00 115.90 1qry n LEU 51 Ca 0.00 0.58 -0.46 0.00 -0.01 0.00 0.00 56.01 56.12 1qry n LEU 51 Cb 0.00 -0.90 -0.02 0.00 -0.11 0.00 0.00 43.42 42.39 1qry n LEU 51 CO 0.00 -0.76 -0.12 0.35 -1.51 0.00 0.00 177.39 175.35 1qry n THR 52 N 6.70 1.57 0.00 -5.08 -2.24 -1.26 -4.23 114.28 109.74 1qry n THR 52 Ca 0.57 -0.50 0.00 0.00 -2.27 0.00 0.00 64.05 61.85 1qry n THR 52 Cb -0.03 -0.06 0.00 0.00 -2.10 0.00 0.00 70.33 68.14 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 1.08 0.00 -0.20 -0.78 -0.02 -1.26 0.34 135.00 134.16 1qry n PRO 53 Ca 0.15 0.19 -0.05 0.00 -2.02 0.00 0.00 63.50 61.77 1qry n PRO 53 Cb 0.31 -0.51 0.01 0.00 -0.02 0.00 0.00 33.50 33.29 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 0.18 -0.91 3.45 2.02 -1.91 1.70 112.91 117.43 1qry h THR 54 Ca 0.00 0.00 0.27 0.00 0.77 0.00 0.00 66.41 67.45 1qry h THR 54 Cb 0.00 0.18 -0.04 0.00 -1.74 0.00 0.00 68.15 66.55 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 -0.16 0.00 0.01 6.66 5.75 -1.42 0.47 115.11 126.43 1qry h GLN 55 Ca 0.24 0.00 -0.00 0.00 -0.15 0.00 0.00 58.65 58.74 1qry h GLN 55 Cb 0.55 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.10 1qry h GLN 55 CO -0.68 0.00 -0.00 0.28 -2.65 0.00 0.00 178.83 175.78 1qry h VAL 56 N 0.00 1.62 -0.34 2.39 2.07 0.73 -2.37 116.25 120.34 1qry h VAL 56 Ca 0.43 -2.03 -0.01 0.00 0.82 0.00 0.00 66.70 65.92 1qry h VAL 56 Cb 2.22 2.96 -0.02 0.00 -1.52 0.00 0.00 31.29 34.94 1qry h VAL 56 CO -0.00 0.51 0.20 0.50 0.02 0.00 0.00 177.57 178.79 1qry h LYS 57 N -0.90 0.48 -0.78 1.57 3.64 0.58 -2.06 116.57 119.10 1qry h LYS 57 Ca -0.00 -0.05 0.01 0.00 -1.27 0.00 0.00 60.65 59.34 1qry h LYS 57 Cb 0.85 -0.10 -0.04 0.00 -0.41 0.00 0.00 32.23 32.53 1qry h LYS 57 CO 0.00 0.38 0.51 0.82 -2.27 0.00 0.00 179.45 178.90 1qry h ILE 58 N 0.44 1.18 0.19 2.00 1.08 -0.71 -2.66 117.51 119.03 1qry h ILE 58 Ca 0.12 -0.35 0.01 0.00 -0.39 0.00 0.00 64.86 64.25 1qry h ILE 58 Cb 0.04 0.06 -0.04 0.00 -3.07 0.00 0.00 36.82 33.81 1qry h ILE 58 CO -0.02 0.19 -0.40 -0.25 -0.69 0.00 0.00 178.15 176.98 1qry h TRP 59 N 1.03 -1.12 -0.38 1.37 7.01 -0.82 -2.76 115.95 120.29 1qry h TRP 59 Ca 0.29 0.02 0.03 0.00 2.11 0.00 0.00 58.89 61.35 1qry h TRP 59 Cb -0.09 0.46 -0.05 0.00 -2.10 0.00 0.00 29.16 27.39 1qry h TRP 59 CO -0.00 -0.52 -0.23 1.19 -2.79 0.00 0.00 178.44 176.10 1qry n PHE 60 N -5.47 -0.17 -0.08 2.65 3.01 -1.00 -0.52 117.46 115.88 1qry n PHE 60 Ca -0.08 0.48 -0.02 0.00 1.01 0.00 0.00 57.45 58.84 1qry n PHE 60 Cb 0.38 -0.46 -0.02 0.00 -0.01 0.00 0.00 39.48 39.37 1qry n PHE 60 CO 0.00 0.00 0.00 0.94 1.01 0.00 0.00 176.76 178.71 1qry n GLN 61 N -3.94 -0.08 -0.08 -1.08 7.27 -1.04 0.44 117.38 118.86 1qry n GLN 61 Ca 0.01 0.65 -0.10 0.00 0.07 0.00 0.00 57.00 57.63 1qry n GLN 61 Cb 0.10 -0.97 -0.07 0.00 2.41 0.00 0.00 30.24 31.71 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 -1.26 -0.48 1.69 -0.00 -0.89 -0.97 115.58 113.66 1qry h ASN 62 Ca 0.03 0.16 -0.05 0.00 -0.00 0.00 0.00 56.30 56.44 1qry h ASN 62 Cb 0.08 0.51 -0.02 0.00 -0.00 0.00 0.00 38.32 38.88 1qry h ASN 62 CO -0.18 -0.29 0.13 0.45 -0.00 0.00 0.00 177.43 177.54 1qry h HIS 63 N -0.30 0.85 -0.85 0.67 3.86 -0.28 -2.97 115.15 116.13 1qry h HIS 63 Ca 0.04 -0.08 0.24 0.00 -1.16 0.00 0.00 60.37 59.41 1qry h HIS 63 Cb 0.42 -0.25 -0.16 0.00 1.06 0.00 0.00 27.41 28.48 1qry h HIS 63 CO -0.66 0.72 0.03 -2.13 0.86 0.00 0.00 177.93 176.75 1qry n ARG 64 N -4.27 -0.07 -0.07 2.45 0.00 1.51 0.26 116.66 116.46 1qry n ARG 64 Ca 0.04 1.28 -0.13 0.00 -0.00 0.00 0.00 57.85 59.03 1qry n ARG 64 Cb 0.23 -2.04 -0.06 0.00 0.00 0.00 0.00 32.46 30.60 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 0.63 0.13 -0.14 5.03 -1.39 -3.30 116.97 117.94 1qry h TYR 65 Ca 0.52 -0.19 -0.19 0.00 2.58 0.00 0.00 58.73 61.45 1qry h TYR 65 Cb 1.09 -0.13 0.02 0.00 1.55 0.00 0.00 36.73 39.26 1qry h TYR 65 CO -0.42 0.87 -0.83 0.87 -1.32 0.00 0.00 178.16 177.33 1qry h LYS 66 N 0.22 0.33 0.00 1.82 6.56 0.26 -3.13 116.57 122.62 1qry h LYS 66 Ca 0.04 -0.53 0.00 0.00 -1.06 0.00 0.00 60.65 59.09 1qry h LYS 66 Cb 0.76 0.19 0.00 0.00 -0.57 0.00 0.00 32.23 32.61 1qry h LYS 66 CO 0.05 1.24 0.74 1.79 -2.06 0.00 0.00 179.45 181.21 1qry h THR 67 N -0.30 0.00 0.03 -0.16 1.35 0.34 4.72 112.91 118.89 1qry h THR 67 Ca -0.14 0.00 -0.26 0.00 -0.55 0.00 0.00 66.41 65.46 1qry h THR 67 Cb 1.64 0.07 -0.03 0.00 -1.73 0.00 0.00 68.15 68.09 1qry h THR 67 CO 0.16 0.00 -1.39 0.11 -0.25 0.00 0.00 175.52 174.14 1qry h LYS 68 N 0.00 0.06 0.00 4.72 1.57 -1.62 -3.26 116.57 118.04 1qry h LYS 68 Ca 0.00 -0.10 -0.06 0.00 -1.87 0.00 0.00 60.65 58.63 1qry h LYS 68 Cb 1.47 0.04 -0.01 0.00 0.08 0.00 0.00 32.23 33.81 1qry h LYS 68 CO 0.00 0.84 -0.28 0.00 -0.57 0.00 0.00 179.45 179.44 1qry h ARG 69 N 0.02 0.00 0.59 3.15 2.47 0.92 -2.86 114.38 118.67 1qry h ARG 69 Ca -0.17 0.00 -0.03 0.00 -1.26 0.00 0.00 59.98 58.52 1qry h ARG 69 Cb 1.92 0.00 0.01 0.00 -1.65 0.00 0.00 29.97 30.24 1qry h ARG 69 CO 0.12 0.28 -0.28 0.00 0.56 0.00 0.00 179.97 180.64 1qry h ALA 70 N 1.72 -1.12 -0.84 0.04 0.00 -1.53 0.59 119.26 118.12 1qry h ALA 70 Ca -0.00 -0.17 0.16 0.00 0.00 0.00 0.00 54.91 54.90 1qry h ALA 70 Cb 0.61 0.30 -0.10 0.00 0.00 0.00 0.00 17.79 18.60 1qry h ALA 70 CO 0.04 -1.06 0.39 1.96 0.00 0.00 0.00 179.25 180.57 1qry h GLN 71 N -0.85 0.50 0.00 0.00 7.50 -1.68 0.65 115.11 121.23 1qry h GLN 71 Ca -0.08 -0.03 -0.06 0.00 0.50 0.00 0.00 58.65 58.98 1qry h GLN 71 Cb 0.60 -0.11 -0.01 0.00 0.05 0.00 0.00 27.48 28.01 1qry h GLN 71 CO 0.13 0.33 -0.26 -0.91 -1.50 0.00 0.00 178.83 176.62 1qry h ASN 72 N 0.52 0.00 -0.24 1.46 4.21 -1.33 0.20 115.58 120.39 1qry h ASN 72 Ca 0.48 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.99 1qry h ASN 72 Cb 0.75 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.95 1qry h ASN 72 CO -0.42 0.26 0.00 -0.62 -1.29 0.00 0.00 177.43 175.37 1qry n GLU 73 N -3.69 2.08 0.00 0.81 1.02 0.22 -3.29 120.64 117.78 1qry n GLU 73 Ca -0.01 -1.09 0.00 0.00 -0.02 0.00 0.00 57.16 56.04 1qry n GLU 73 Cb 0.38 -1.52 0.00 0.00 -0.02 0.00 0.00 31.44 30.28 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 0.27 0.53 -3.54 3.49 3.00 0.01 -5.00 118.16 116.92 1qry n LYS 74 Ca 0.10 0.00 -0.07 0.00 -0.00 0.00 0.00 58.31 58.34 1qry n LYS 74 Cb 0.43 -0.98 -0.02 0.00 0.00 0.00 0.00 35.03 34.45 1qry n LYS 74 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.40 177.60 1qry s GLY 75 N -2.03 -0.38 -0.43 3.14 0.00 -0.93 -5.09 107.32 101.60 1qry s GLY 75 Ca 0.00 1.32 0.09 0.00 0.00 0.00 0.00 44.72 46.13 1qry s GLY 75 CO 0.00 0.47 0.66 -1.72 0.00 0.00 0.00 173.10 172.51 1qry n TYR 76 N -0.10 0.74 -2.38 1.90 4.02 -1.26 -4.54 117.16 115.53 1qry n TYR 76 Ca -0.06 -3.76 -0.27 0.00 -0.01 0.00 0.00 57.90 53.80 1qry n TYR 76 Cb 0.60 -0.41 0.02 0.00 -0.02 0.00 0.00 39.34 39.53 1qry n TYR 76 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 176.86 174.64 1qry s GLU 77 N -1.97 3.12 0.00 -0.72 8.01 -1.26 -4.98 118.70 120.91 1qry s GLU 77 Ca 0.39 0.14 0.00 0.00 0.01 0.00 0.00 54.97 55.50 1qry s GLU 77 Cb 0.24 -2.26 0.00 0.00 -4.31 0.00 0.00 34.13 27.79 1qry s GLU 77 CO -0.09 -0.59 0.00 0.41 0.01 0.00 0.00 175.26 175.00 1qry n GLY 78 N -2.55 -1.14 3.18 -1.39 0.00 -1.26 -5.17 105.19 96.86 1qry n GLY 78 Ca 0.04 0.26 -0.19 0.00 0.00 0.00 0.00 46.02 46.12 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 1.28 -0.31 1.61 3.76 -1.26 -5.38 115.29 115.00 1qry s HIS 79 Ca 0.00 -0.44 0.00 0.00 -0.15 0.00 0.00 55.06 54.47 1qry s HIS 79 Cb 0.00 -0.73 0.00 0.00 1.11 0.00 0.00 32.58 32.96 1qry s HIS 79 CO 0.00 0.07 0.08 -2.30 -0.85 0.00 0.00 174.74 171.74