#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 4.11 0.00 1.61 0.01 -1.26 -4.82 113.70 113.35 1qry s SER 2 Ca 0.00 -1.49 0.00 0.00 1.31 0.00 0.00 55.95 55.77 1qry s SER 2 Cb 0.00 0.14 0.00 0.00 0.21 0.00 0.00 66.02 66.37 1qry s SER 2 CO 0.00 -0.72 0.00 1.41 0.41 0.00 0.00 173.24 174.34 1qry n HIS 3 N -1.20 0.00 -3.77 2.43 -0.00 -1.26 -4.48 115.22 106.94 1qry n HIS 3 Ca -0.12 0.00 -0.14 0.00 -0.00 0.00 0.00 57.72 57.46 1qry n HIS 3 Cb 0.67 0.00 -0.15 0.00 -0.00 0.00 0.00 29.99 30.51 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 0.00 0.03 0.00 -0.41 1.00 -1.26 -4.98 119.30 113.68 1qry s MET 4 Ca 0.00 0.26 0.00 0.00 0.00 0.00 0.00 55.69 55.95 1qry s MET 4 Cb 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 34.83 34.64 1qry s MET 4 CO 0.00 -0.15 0.68 0.45 0.00 0.00 0.00 175.02 176.00 1qry n SER 5 N 4.08 0.00 0.00 3.03 2.88 -1.26 -3.76 113.62 118.59 1qry n SER 5 Ca -0.26 0.23 0.00 0.00 -1.33 0.00 0.00 58.87 57.51 1qry n SER 5 Cb 0.52 -0.23 0.00 0.00 -0.75 0.00 0.00 64.21 63.75 1qry n SER 5 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 1qry n ASP 6 N -1.18 0.00 0.00 -3.46 8.00 -1.26 -4.78 116.55 113.87 1qry n ASP 6 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.50 1qry n ASP 6 Cb 0.11 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.21 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 3.88 0.37 2.94 0.44 0.00 -1.25 -4.85 105.19 106.73 1qry n GLY 7 Ca 0.00 -1.35 -0.31 0.00 0.00 0.00 0.00 46.02 44.37 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 4.06 0.00 0.99 1.43 -1.26 -4.95 118.68 118.95 1qry s LEU 8 Ca 0.00 -2.01 0.00 0.00 -1.03 0.00 0.00 54.13 51.09 1qry s LEU 8 Cb 0.00 -1.42 0.00 0.00 0.03 0.00 0.00 46.19 44.80 1qry s LEU 8 CO 0.00 -0.39 0.41 -0.81 0.23 0.00 0.00 176.35 175.80 1qry n PRO 9 N 4.42 0.38 0.00 1.29 -0.05 -1.26 -2.77 135.00 137.01 1qry n PRO 9 Ca 0.02 0.00 0.00 0.00 -0.05 0.00 0.00 63.50 63.47 1qry n PRO 9 Cb 0.42 -1.31 0.00 0.00 -0.05 0.00 0.00 33.50 32.56 1qry n PRO 9 CO 0.00 0.00 0.00 -1.71 -0.05 0.00 0.00 175.50 173.74 1qry n ASN 10 N 0.91 0.00 -1.78 3.54 2.85 -1.26 -5.14 115.26 114.38 1qry n ASN 10 Ca 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.47 1qry n ASN 10 Cb 0.19 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.21 1qry n ASN 10 CO 0.00 0.00 0.00 1.17 -2.11 0.00 0.00 177.26 176.32 1qry n LYS 11 N -0.15 -5.00 -3.15 1.20 3.00 -1.11 -5.05 118.16 107.90 1qry n LYS 11 Ca 0.00 3.63 0.05 0.00 -0.00 0.00 0.00 58.31 61.99 1qry n LYS 11 Cb 0.00 -4.02 -0.02 0.00 0.00 0.00 0.00 35.03 31.00 1qry n LYS 11 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.40 177.61 1qry s LYS 12 N -2.52 0.18 -0.41 1.64 2.20 -1.26 -5.03 119.74 114.54 1qry s LYS 12 Ca 0.00 0.31 -0.26 0.00 -0.36 0.00 0.00 55.97 55.66 1qry s LYS 12 Cb 0.00 0.17 0.04 0.00 -1.51 0.00 0.00 37.83 36.53 1qry s LYS 12 CO 0.00 -0.21 0.56 0.54 -0.36 0.00 0.00 175.35 175.88 1qry n ARG 13 N 5.45 -2.08 0.21 4.03 3.00 -1.26 -4.86 116.66 121.15 1qry n ARG 13 Ca -0.06 1.73 -0.16 0.00 -0.01 0.00 0.00 57.85 59.35 1qry n ARG 13 Cb 0.54 -3.54 -0.08 0.00 0.00 0.00 0.00 32.46 29.38 1qry n ARG 13 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.63 177.41 1qry h LYS 14 N 2.21 -0.76 -3.56 5.56 3.64 -2.03 -3.42 116.57 118.20 1qry h LYS 14 Ca -0.29 0.05 -0.51 0.00 -1.27 0.00 0.00 60.65 58.63 1qry h LYS 14 Cb 1.16 0.17 0.00 0.00 -0.41 0.00 0.00 32.23 33.15 1qry h LYS 14 CO 0.20 -0.51 0.47 -2.13 -2.27 0.00 0.00 179.45 175.21 1qry n ARG 15 N -5.49 0.00 -1.70 1.90 0.63 -1.26 -4.86 116.66 105.87 1qry n ARG 15 Ca -0.10 0.00 -0.29 0.00 -0.92 0.00 0.00 57.85 56.54 1qry n ARG 15 Cb 0.40 -0.89 0.10 0.00 0.45 0.00 0.00 32.46 32.51 1qry n ARG 15 CO 0.00 0.00 0.00 -0.98 -2.51 0.00 0.00 177.63 174.14 1qry s ARG 16 N 2.05 1.89 -0.07 -0.14 1.70 -1.26 -5.08 118.95 118.04 1qry s ARG 16 Ca 0.64 0.35 -0.30 0.00 -0.47 0.00 0.00 55.73 55.94 1qry s ARG 16 Cb -0.89 -1.92 0.07 0.00 -0.57 0.00 0.00 34.95 31.64 1qry s ARG 16 CO 0.47 -1.69 0.68 0.08 -1.08 0.00 0.00 175.30 173.76 1qry s VAL 17 N -3.35 0.00 0.00 4.99 1.01 -1.26 -5.15 120.40 116.64 1qry s VAL 17 Ca 0.62 -0.00 0.00 0.00 0.00 0.00 0.00 61.98 62.59 1qry s VAL 17 Cb -0.13 -1.00 0.00 0.00 0.00 0.00 0.00 36.38 35.25 1qry s VAL 17 CO 0.52 -0.00 0.00 0.18 0.00 0.00 0.00 175.10 175.80 1qry n LEU 18 N 1.06 0.00 -1.85 3.92 4.77 -1.26 -5.06 117.00 118.58 1qry n LEU 18 Ca -0.19 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.79 1qry n LEU 18 Cb 0.57 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.66 1qry n LEU 18 CO 0.22 0.00 -0.50 0.49 -1.33 0.00 0.00 177.39 176.28 1qry n PHE 19 N 0.00 -4.90 -3.82 -1.77 3.01 -1.26 -4.91 117.46 103.82 1qry n PHE 19 Ca 0.00 2.58 -0.35 0.00 1.01 0.00 0.00 57.45 60.68 1qry n PHE 19 Cb 0.00 -3.75 -0.09 0.00 -0.01 0.00 0.00 39.48 35.62 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 -2.74 5.07 0.19 4.37 -4.23 -1.26 -4.90 115.64 112.14 1qry s THR 20 Ca 0.00 0.07 0.06 0.00 -1.18 0.00 0.00 61.69 60.64 1qry s THR 20 Cb 0.00 -3.33 0.06 0.00 1.34 0.00 0.00 72.50 70.57 1qry s THR 20 CO 0.00 0.41 1.00 0.29 -0.54 0.00 0.00 174.62 175.78 1qry n LYS 21 N 3.87 0.05 0.00 3.99 5.02 -1.26 0.35 118.16 130.17 1qry n LYS 21 Ca -0.16 0.52 -0.01 0.00 -2.02 0.00 0.00 58.31 56.64 1qry n LYS 21 Cb 0.52 -2.20 -0.00 0.00 -0.02 0.00 0.00 35.03 33.33 1qry n LYS 21 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1qry h ALA 22 N 0.54 -0.11 -3.00 7.82 0.00 -1.98 -2.50 119.26 120.03 1qry h ALA 22 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1qry h ALA 22 Cb 1.09 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.91 1qry h ALA 22 CO 0.00 -0.11 0.00 1.04 0.00 0.00 0.00 179.25 180.18 1qry n GLN 23 N -3.42 0.00 -0.30 0.00 6.02 0.15 0.64 117.38 120.48 1qry n GLN 23 Ca -0.01 0.38 0.25 0.00 -0.01 0.00 0.00 57.00 57.62 1qry n GLN 23 Cb 0.03 -0.96 0.42 0.00 1.02 0.00 0.00 30.24 30.74 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 -0.84 -0.14 0.00 5.09 -1.04 -0.96 0.42 114.28 116.81 1qry n THR 24 Ca 0.00 1.07 0.00 0.00 -2.04 0.00 0.00 64.05 63.08 1qry n THR 24 Cb 0.00 -1.76 0.00 0.00 -1.82 0.00 0.00 70.33 66.75 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 -3.81 0.00 -0.30 -1.42 9.36 0.21 0.15 117.16 121.36 1qry n TYR 25 Ca 0.25 0.00 0.04 0.00 3.32 0.00 0.00 57.90 61.51 1qry n TYR 25 Cb 0.98 0.00 0.12 0.00 -0.63 0.00 0.00 39.34 39.81 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 0.01 -0.48 2.98 4.39 -0.45 3.66 114.58 124.69 1qry h GLU 26 Ca 0.00 -0.00 0.14 0.00 0.34 0.00 0.00 59.36 59.84 1qry h GLU 26 Cb 0.00 -0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.63 1qry h GLU 26 CO 0.00 0.00 0.45 1.25 -1.16 0.00 0.00 179.01 179.55 1qry h LEU 27 N 0.01 0.00 0.00 1.33 5.85 -0.05 0.92 115.31 123.37 1qry h LEU 27 Ca 0.41 0.00 -0.20 0.00 0.84 0.00 0.00 57.88 58.94 1qry h LEU 27 Cb 0.65 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 41.65 1qry h LEU 27 CO -0.85 0.00 -1.24 -0.33 -0.34 0.00 0.00 178.44 175.67 1qry h GLU 28 N 0.00 0.00 -0.02 1.25 4.39 1.61 -3.35 114.58 118.46 1qry h GLU 28 Ca 0.23 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.92 1qry h GLU 28 Cb 1.12 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.77 1qry h GLU 28 CO -0.00 0.52 -0.01 0.00 -1.16 0.00 0.00 179.01 178.36 1qry h ARG 29 N 0.00 0.05 -1.00 2.33 3.08 0.43 -3.11 114.38 116.17 1qry h ARG 29 Ca -0.14 -0.02 0.19 0.00 0.07 0.00 0.00 59.98 60.08 1qry h ARG 29 Cb 1.70 -0.00 -0.18 0.00 0.08 0.00 0.00 29.97 31.56 1qry h ARG 29 CO 0.07 0.44 -0.28 0.00 -1.07 0.00 0.00 179.97 179.14 1qry h ARG 30 N -0.35 -0.00 -1.37 0.04 2.47 -1.19 2.44 114.38 116.42 1qry h ARG 30 Ca 0.01 0.00 0.40 0.00 -1.26 0.00 0.00 59.98 59.13 1qry h ARG 30 Cb 0.43 0.00 -0.08 0.00 -1.65 0.00 0.00 29.97 28.67 1qry h ARG 30 CO 0.00 -0.00 0.96 0.35 0.56 0.00 0.00 179.97 181.84 1qry h PHE 31 N -0.00 0.19 0.14 3.04 3.57 -1.69 1.45 116.94 123.64 1qry h PHE 31 Ca 0.45 0.01 -0.33 0.00 3.53 0.00 0.00 57.97 61.63 1qry h PHE 31 Cb 0.70 -0.05 -0.00 0.00 2.79 0.00 0.00 35.95 39.39 1qry h PHE 31 CO -0.79 -0.03 -1.70 0.00 -2.23 0.00 0.00 178.31 173.57 1qry h ARG 32 N 0.07 0.30 -0.02 1.11 3.08 0.40 -3.37 114.38 115.96 1qry h ARG 32 Ca 0.70 -0.52 -0.13 0.00 0.07 0.00 0.00 59.98 60.10 1qry h ARG 32 Cb 2.55 0.19 0.01 0.00 0.08 0.00 0.00 29.97 32.81 1qry h ARG 32 CO -0.12 1.25 -0.50 1.96 -1.07 0.00 0.00 179.97 181.48 1qry h GLN 33 N -0.07 0.38 -4.28 0.04 4.20 0.61 -3.42 115.11 112.56 1qry h GLN 33 Ca -0.35 -0.38 -0.59 0.00 0.06 0.00 0.00 58.65 57.39 1qry h GLN 33 Cb 1.95 0.10 -0.38 0.00 0.30 0.00 0.00 27.48 29.45 1qry h GLN 33 CO 0.10 1.05 -0.79 -1.14 -0.67 0.00 0.00 178.83 177.38 1qry s GLN 34 N -3.30 1.56 0.00 1.46 2.00 0.47 -4.93 119.66 116.91 1qry s GLN 34 Ca -0.14 -0.84 0.27 0.00 -2.00 0.00 0.00 55.36 52.65 1qry s GLN 34 Cb 0.03 -2.43 0.94 0.00 0.80 0.00 0.00 33.01 32.35 1qry s GLN 34 CO 0.80 -0.55 1.68 2.89 -0.50 0.00 0.00 175.29 179.61 1qry n ARG 35 N 4.74 1.75 -0.79 1.67 1.85 -1.26 -3.78 116.66 120.84 1qry n ARG 35 Ca -0.12 -1.09 -0.02 0.00 -1.00 0.00 0.00 57.85 55.62 1qry n ARG 35 Cb 0.45 -1.47 0.20 0.00 -1.05 0.00 0.00 32.46 30.59 1qry n ARG 35 CO 0.00 0.00 0.00 0.66 -0.01 0.00 0.00 177.63 178.28 1qry n TYR 36 N 0.32 0.82 -1.49 2.89 4.02 -1.26 -5.05 117.16 117.41 1qry n TYR 36 Ca 0.18 -1.61 -0.49 0.00 -0.01 0.00 0.00 57.90 55.97 1qry n TYR 36 Cb 0.38 -0.43 -0.04 0.00 -0.02 0.00 0.00 39.34 39.24 1qry n TYR 36 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 176.86 177.13 1qry n LEU 37 N -1.11 0.12 0.00 7.72 4.32 -1.25 -4.90 117.00 121.89 1qry n LEU 37 Ca 0.30 1.15 0.00 0.00 -0.02 0.00 0.00 56.01 57.43 1qry n LEU 37 Cb 0.93 -1.07 0.00 0.00 -1.62 0.00 0.00 43.42 41.66 1qry n LEU 37 CO 0.13 -2.17 0.00 -1.54 -1.22 0.00 0.00 177.39 172.59 1qry n SER 38 N 1.77 0.00 0.03 -1.43 3.41 -1.26 -4.83 113.62 111.31 1qry n SER 38 Ca 0.16 0.00 -0.06 0.00 -0.26 0.00 0.00 58.87 58.71 1qry n SER 38 Cb 0.24 0.00 -0.11 0.00 -0.26 0.00 0.00 64.21 64.08 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 1.00 0.58 0.00 7.33 0.00 -1.97 -2.94 119.26 123.25 1qry h ALA 39 Ca 0.00 -1.07 -0.07 0.00 0.00 0.00 0.00 54.91 53.77 1qry h ALA 39 Cb 0.00 0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 1qry h ALA 39 CO 0.00 1.28 -1.43 -2.30 0.00 0.00 0.00 179.25 176.80 1qry n PRO 40 N -3.17 0.63 -0.07 0.00 -0.01 -1.26 -3.99 135.00 127.13 1qry n PRO 40 Ca -0.07 0.07 -0.05 0.00 -0.01 0.00 0.00 63.50 63.44 1qry n PRO 40 Cb 0.95 -1.74 -0.02 0.00 -0.01 0.00 0.00 33.50 32.68 1qry n PRO 40 CO 0.00 0.00 0.00 0.93 -0.01 0.00 0.00 175.50 176.42 1qry h GLU 41 N 0.00 0.00 -1.83 -0.52 3.07 -1.91 -3.20 114.58 110.19 1qry h GLU 41 Ca -0.08 0.00 0.53 0.00 -0.50 0.00 0.00 59.36 59.31 1qry h GLU 41 Cb 1.24 0.00 -0.07 0.00 -0.84 0.00 0.00 28.75 29.08 1qry h GLU 41 CO 0.01 0.10 1.38 0.54 -1.40 0.00 0.00 179.01 179.64 1qry n ARG 42 N -4.64 0.00 0.01 2.33 5.12 -1.11 0.35 116.66 118.72 1qry n ARG 42 Ca -0.07 1.05 -0.13 0.00 -1.93 0.00 0.00 57.85 56.77 1qry n ARG 42 Cb 0.24 -2.46 -0.09 0.00 -1.16 0.00 0.00 32.46 28.99 1qry n ARG 42 CO 0.00 0.00 0.00 0.93 -1.93 0.00 0.00 177.63 176.63 1qry h GLU 43 N 0.00 -0.02 -0.95 5.56 4.39 -1.69 0.39 114.58 122.26 1qry h GLU 43 Ca 0.87 0.00 0.14 0.00 0.34 0.00 0.00 59.36 60.71 1qry h GLU 43 Cb 3.62 0.00 -0.15 0.00 -0.10 0.00 0.00 28.75 32.12 1qry h GLU 43 CO -0.01 0.33 -0.41 1.25 -1.16 0.00 0.00 179.01 179.01 1qry h HIS 44 N -0.38 -1.19 0.49 4.33 2.76 0.60 0.61 115.15 122.38 1qry h HIS 44 Ca -0.00 0.11 -0.01 0.00 -2.20 0.00 0.00 60.37 58.26 1qry h HIS 44 Cb 0.37 0.66 -0.02 0.00 1.55 0.00 0.00 27.41 29.96 1qry h HIS 44 CO 0.05 -0.40 -0.45 1.25 -1.30 0.00 0.00 177.93 177.08 1qry h LEU 45 N -0.02 -1.21 0.00 0.26 5.85 -1.32 1.00 115.31 119.87 1qry h LEU 45 Ca 0.31 0.09 0.00 0.00 0.84 0.00 0.00 57.88 59.13 1qry h LEU 45 Cb 0.57 0.39 0.00 0.00 0.37 0.00 0.00 40.66 42.00 1qry h LEU 45 CO -0.95 -0.62 0.94 0.35 -0.34 0.00 0.00 178.44 177.82 1qry n THR 46 N -5.54 0.00 0.14 1.05 -2.24 0.20 0.58 114.28 108.47 1qry n THR 46 Ca -0.12 0.94 -0.23 0.00 -2.27 0.00 0.00 64.05 62.37 1qry n THR 46 Cb 0.43 -1.89 -0.16 0.00 -2.10 0.00 0.00 70.33 66.62 1qry n THR 46 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 1qry h SER 47 N 0.00 0.78 0.00 3.42 0.02 0.11 -2.84 113.55 115.03 1qry h SER 47 Ca 0.00 -0.84 0.00 0.00 -0.84 0.00 0.00 61.79 60.11 1qry h SER 47 Cb 1.88 -0.25 0.00 0.00 0.14 0.00 0.00 62.40 64.16 1qry h SER 47 CO 0.00 1.66 0.00 0.18 -1.14 0.00 0.00 176.83 177.53 1qry n LEU 48 N -3.68 0.26 -1.92 5.07 7.99 2.41 -4.37 117.00 122.75 1qry n LEU 48 Ca -0.16 0.05 -0.17 0.00 -0.01 0.00 0.00 56.01 55.72 1qry n LEU 48 Cb 1.09 0.00 0.14 0.00 -0.11 0.00 0.00 43.42 44.55 1qry n LEU 48 CO 0.60 0.00 1.09 2.30 -1.51 0.00 0.00 177.39 179.86 1qry n ILE 49 N -0.09 2.66 -0.14 -0.08 -0.00 -1.10 -4.90 119.36 115.72 1qry n ILE 49 Ca 0.00 -1.45 0.00 0.00 -0.00 0.00 0.00 62.75 61.30 1qry n ILE 49 Cb 0.00 -0.58 0.00 0.00 -0.00 0.00 0.00 39.64 39.06 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 -0.71 -0.58 -1.53 6.28 1.74 -1.07 -4.76 116.66 116.03 1qry n ARG 50 Ca 0.45 0.03 -0.34 0.00 -0.77 0.00 0.00 57.85 57.22 1qry n ARG 50 Cb 1.38 -2.12 -0.10 0.00 -1.02 0.00 0.00 32.46 30.61 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 1.17 -3.98 0.55 4.77 -1.26 -4.68 117.00 113.57 1qry n LEU 51 Ca 0.00 -0.39 -0.55 0.00 -0.03 0.00 0.00 56.01 55.04 1qry n LEU 51 Cb 0.03 -1.26 -0.08 0.00 -2.33 0.00 0.00 43.42 39.78 1qry n LEU 51 CO 0.00 -1.40 0.73 0.35 -1.33 0.00 0.00 177.39 175.74 1qry n THR 52 N 7.68 0.00 0.00 -5.08 -2.24 -1.26 -4.02 114.28 109.36 1qry n THR 52 Ca 0.51 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 62.29 1qry n THR 52 Cb 0.31 -0.20 0.00 0.00 -2.10 0.00 0.00 70.33 68.34 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 2.31 0.00 0.18 -0.78 -0.02 -1.26 0.16 135.00 135.59 1qry n PRO 53 Ca 0.22 0.00 -0.08 0.00 -2.02 0.00 0.00 63.50 61.62 1qry n PRO 53 Cb 0.01 0.00 -0.04 0.00 -0.02 0.00 0.00 33.50 33.45 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 0.00 -1.60 3.45 2.02 -1.94 -2.48 112.91 112.36 1qry h THR 54 Ca 0.00 -0.54 0.46 0.00 0.77 0.00 0.00 66.41 67.11 1qry h THR 54 Cb 0.00 0.00 -0.06 0.00 -1.74 0.00 0.00 68.15 66.35 1qry h THR 54 CO 0.00 0.00 1.28 1.67 0.37 0.00 0.00 175.52 178.84 1qry n GLN 55 N -4.87 0.00 -0.03 6.66 -0.06 0.43 0.41 117.38 119.92 1qry n GLN 55 Ca -0.06 0.99 -0.13 0.00 -2.00 0.00 0.00 57.00 55.80 1qry n GLN 55 Cb 0.20 -2.34 -0.09 0.00 -4.06 0.00 0.00 30.24 23.95 1qry n GLN 55 CO 0.00 0.00 0.00 0.28 -0.20 0.00 0.00 177.06 177.14 1qry h VAL 56 N 0.00 1.39 -0.43 1.69 2.07 -1.06 -1.61 116.25 118.31 1qry h VAL 56 Ca 0.76 -1.23 -0.06 0.00 0.82 0.00 0.00 66.70 66.99 1qry h VAL 56 Cb 3.31 2.13 -0.02 0.00 -1.52 0.00 0.00 31.29 35.20 1qry h VAL 56 CO -0.01 0.33 0.00 0.50 0.02 0.00 0.00 177.57 178.42 1qry h LYS 57 N -0.38 0.69 -0.38 1.57 3.64 0.85 -0.50 116.57 122.05 1qry h LYS 57 Ca 0.01 -0.17 -0.14 0.00 -1.27 0.00 0.00 60.65 59.08 1qry h LYS 57 Cb 0.56 -0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 32.28 1qry h LYS 57 CO 0.01 0.70 -0.32 0.82 -2.27 0.00 0.00 179.45 178.39 1qry h ILE 58 N 0.65 1.28 0.00 2.00 1.08 -0.51 -2.87 117.51 119.14 1qry h ILE 58 Ca 0.13 -1.48 -0.12 0.00 -0.39 0.00 0.00 64.86 63.00 1qry h ILE 58 Cb 0.40 1.32 -0.02 0.00 -3.07 0.00 0.00 36.82 35.45 1qry h ILE 58 CO 0.01 0.49 -0.58 -0.25 -0.69 0.00 0.00 178.15 177.14 1qry h TRP 59 N 0.72 0.00 0.37 1.37 7.01 -1.02 -3.28 115.95 121.11 1qry h TRP 59 Ca 0.08 0.00 -0.02 0.00 2.11 0.00 0.00 58.89 61.06 1qry h TRP 59 Cb 0.88 0.00 0.00 0.00 -2.10 0.00 0.00 29.16 27.94 1qry h TRP 59 CO 0.05 0.58 -0.18 0.74 -2.79 0.00 0.00 178.44 176.84 1qry h PHE 60 N 0.00 -0.46 -0.75 2.65 -1.00 -0.91 -2.81 116.94 113.66 1qry h PHE 60 Ca -0.01 -0.01 0.22 0.00 2.81 0.00 0.00 57.97 60.98 1qry h PHE 60 Cb 1.31 0.15 -0.14 0.00 3.61 0.00 0.00 35.95 40.88 1qry h PHE 60 CO 0.00 -0.27 0.05 0.94 -1.61 0.00 0.00 178.31 177.43 1qry n GLN 61 N -5.29 -0.06 -0.04 1.51 7.27 -1.10 0.45 117.38 120.11 1qry n GLN 61 Ca -0.11 1.11 0.01 0.00 0.07 0.00 0.00 57.00 58.09 1qry n GLN 61 Cb 0.22 -1.79 0.04 0.00 2.41 0.00 0.00 30.24 31.12 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 -5.00 0.51 -0.06 1.69 4.05 -1.06 -4.06 115.26 111.32 1qry n ASN 62 Ca 0.19 -2.01 -0.03 0.00 0.45 0.00 0.00 54.58 53.18 1qry n ASN 62 Cb 0.61 -0.09 -0.01 0.00 1.23 0.00 0.00 39.78 41.52 1qry n ASN 62 CO 0.00 0.00 0.00 1.12 -3.05 0.00 0.00 177.26 175.33 1qry h HIS 63 N 0.45 0.00 -0.49 1.20 2.07 0.94 -3.10 115.15 116.22 1qry h HIS 63 Ca 0.00 0.00 0.08 0.00 -2.85 0.00 0.00 60.37 57.60 1qry h HIS 63 Cb 0.15 0.00 -0.08 0.00 2.57 0.00 0.00 27.41 30.05 1qry h HIS 63 CO 0.06 0.00 -0.17 -2.13 -3.07 0.00 0.00 177.93 172.61 1qry n ARG 64 N -4.53 -0.10 -0.04 5.12 0.00 -1.24 0.35 116.66 116.22 1qry n ARG 64 Ca -0.05 0.76 -0.15 0.00 -0.00 0.00 0.00 57.85 58.41 1qry n ARG 64 Cb 0.18 -1.13 -0.08 0.00 0.00 0.00 0.00 32.46 31.43 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 0.55 0.13 -0.14 5.03 -1.81 -3.31 116.97 117.42 1qry h TYR 65 Ca 0.19 -0.22 -0.18 0.00 2.58 0.00 0.00 58.73 61.10 1qry h TYR 65 Cb 0.31 -0.09 0.02 0.00 1.55 0.00 0.00 36.73 38.52 1qry h TYR 65 CO -0.42 0.94 -0.78 -0.22 -1.32 0.00 0.00 178.16 176.37 1qry h LYS 66 N -0.00 0.29 0.00 1.82 3.64 0.11 -3.16 116.57 119.26 1qry h LYS 66 Ca -0.01 -0.49 0.00 0.00 -1.27 0.00 0.00 60.65 58.88 1qry h LYS 66 Cb 0.95 0.18 0.00 0.00 -0.41 0.00 0.00 32.23 32.95 1qry h LYS 66 CO 0.07 1.23 0.54 0.25 -2.27 0.00 0.00 179.45 179.28 1qry n THR 67 N -4.15 0.28 -0.03 1.00 -2.24 1.08 0.11 114.28 110.33 1qry n THR 67 Ca -0.14 0.73 -0.21 0.00 -2.27 0.00 0.00 64.05 62.16 1qry n THR 67 Cb 0.81 -1.73 -0.13 0.00 -2.10 0.00 0.00 70.33 67.18 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 0.16 0.00 -0.78 1.57 -1.63 -3.30 116.57 112.58 1qry h LYS 68 Ca 0.00 -0.27 0.00 0.00 -1.87 0.00 0.00 60.65 58.51 1qry h LYS 68 Cb 1.09 0.10 0.00 0.00 0.08 0.00 0.00 32.23 33.50 1qry h LYS 68 CO 0.00 1.13 0.00 0.54 -0.57 0.00 0.00 179.45 180.55 1qry n ARG 69 N -4.07 0.06 -0.07 3.15 3.00 0.31 -1.37 116.66 117.67 1qry n ARG 69 Ca -0.27 0.54 -0.09 0.00 -0.01 0.00 0.00 57.85 58.02 1qry n ARG 69 Cb 0.82 -1.68 -0.07 0.00 0.00 0.00 0.00 32.46 31.54 1qry n ARG 69 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1qry h ALA 70 N 2.03 0.04 -0.56 7.54 0.00 -1.55 -3.17 119.26 123.58 1qry h ALA 70 Ca 0.00 -0.44 -0.09 0.00 0.00 0.00 0.00 54.91 54.38 1qry h ALA 70 Cb 0.02 0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 1qry h ALA 70 CO 0.00 0.17 0.01 1.96 0.00 0.00 0.00 179.25 181.39 1qry h GLN 71 N -1.00 0.98 -0.26 0.00 1.08 -1.54 -1.76 115.11 112.61 1qry h GLN 71 Ca -0.05 -0.31 0.07 0.00 -1.45 0.00 0.00 58.65 56.91 1qry h GLN 71 Cb 0.64 -0.09 -0.01 0.00 -0.05 0.00 0.00 27.48 27.97 1qry h GLN 71 CO -0.03 0.98 0.18 -0.91 -0.95 0.00 0.00 178.83 178.11 1qry h ASN 72 N 0.87 0.01 0.00 1.46 2.35 -1.38 -3.33 115.58 115.56 1qry h ASN 72 Ca 0.16 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.91 1qry h ASN 72 Cb 0.53 -0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.90 1qry h ASN 72 CO 0.03 0.01 0.00 -0.62 -1.65 0.00 0.00 177.43 175.20 1qry n GLU 73 N -4.46 0.00 -1.31 0.81 -0.58 -0.94 -4.74 120.64 109.43 1qry n GLU 73 Ca 0.03 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.77 1qry n GLU 73 Cb 0.33 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 31.20 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 0.00 -1.45 -3.47 3.49 3.00 -0.71 -4.53 118.16 114.49 1qry n LYS 74 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.31 1qry n LYS 74 Cb 0.00 -3.79 0.00 0.00 0.00 0.00 0.00 35.03 31.24 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 -0.13 -1.23 1.49 3.14 0.00 -1.26 -5.11 105.19 102.09 1qry n GLY 75 Ca 0.00 -0.99 0.00 0.00 0.00 0.00 0.00 46.02 45.03 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 4.27 -2.65 0.00 1.61 4.01 -1.26 -5.09 117.16 118.05 1qry n TYR 76 Ca 0.00 0.44 0.00 0.00 -0.16 0.00 0.00 57.90 58.18 1qry n TYR 76 Cb 0.00 1.37 0.00 0.00 -0.31 0.00 0.00 39.34 40.40 1qry n TYR 76 CO 0.00 0.00 0.00 -1.91 -0.46 0.00 0.00 176.86 174.49 1qry n GLU 77 N -2.62 0.00 -1.11 -0.72 4.07 -1.26 -5.09 120.64 113.91 1qry n GLU 77 Ca 0.00 0.00 -0.35 0.00 -0.06 0.00 0.00 57.16 56.75 1qry n GLU 77 Cb 0.00 0.00 0.08 0.00 -0.06 0.00 0.00 31.44 31.46 1qry n GLU 77 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1qry n GLY 78 N 1.76 -1.89 2.55 8.31 0.00 -1.26 -4.96 105.19 109.69 1qry n GLY 78 Ca 0.00 -0.51 -0.29 0.00 0.00 0.00 0.00 46.02 45.23 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 -2.06 1.39 -2.15 1.61 -3.43 -1.26 -5.05 115.29 104.34 1qry s HIS 79 Ca 0.61 -2.17 0.31 0.00 -0.80 0.00 0.00 55.06 53.01 1qry s HIS 79 Cb -0.30 -1.32 1.65 0.00 -1.43 0.00 0.00 32.58 31.17 1qry s HIS 79 CO 0.62 -0.79 2.08 -2.30 -2.00 0.00 0.00 174.74 172.35