#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 -0.78 1.61 3.41 -1.26 -5.12 113.62 111.48 1qry n SER 2 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 1qry n SER 2 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 1qry n SER 2 CO 0.00 0.00 0.00 1.57 -0.16 0.00 0.00 175.04 176.45 1qry n HIS 3 N -1.20 0.00 -1.06 7.33 -0.00 -1.26 -4.97 115.22 114.06 1qry n HIS 3 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.72 1qry n HIS 3 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 29.99 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 0.00 0.00 -3.80 1.57 2.00 -1.26 -4.70 117.12 110.93 1qry n MET 4 Ca 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 57.70 57.49 1qry n MET 4 Cb 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 33.22 33.20 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 5.74 0.16 7.83 1.04 -1.26 -5.06 113.70 118.16 1qry s SER 5 Ca 0.00 -0.24 -0.31 0.00 0.48 0.00 0.00 55.95 55.88 1qry s SER 5 Cb 0.00 -1.31 -0.08 0.00 0.10 0.00 0.00 66.02 64.72 1qry s SER 5 CO 0.00 -0.26 1.36 -0.62 0.98 0.00 0.00 173.24 174.70 1qry s ASP 6 N -4.01 6.85 0.00 7.02 -1.08 -1.26 -4.56 116.67 119.62 1qry s ASP 6 Ca 0.39 2.39 0.00 0.00 -0.52 0.00 0.00 52.55 54.81 1qry s ASP 6 Cb -0.08 -2.60 0.00 0.00 -1.46 0.00 0.00 42.92 38.78 1qry s ASP 6 CO 0.28 -0.60 0.00 0.61 0.52 0.00 0.00 175.17 175.98 1qry n GLY 7 N 2.88 0.56 1.83 2.66 0.00 -1.26 -5.06 105.19 106.80 1qry n GLY 7 Ca 0.09 -0.90 -0.11 0.00 0.00 0.00 0.00 46.02 45.10 1qry n GLY 7 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1qry n LEU 8 N 0.00 -1.03 0.01 0.99 4.77 -1.26 -4.85 117.00 115.63 1qry n LEU 8 Ca 0.00 -0.01 -0.22 0.00 -0.03 0.00 0.00 56.01 55.76 1qry n LEU 8 Cb 0.00 -0.60 -0.14 0.00 -2.33 0.00 0.00 43.42 40.36 1qry n LEU 8 CO 0.00 -0.13 -0.47 -0.65 -1.33 0.00 0.00 177.39 174.80 1qry h PRO 9 N 1.09 0.25 0.00 3.23 0.10 -1.98 -3.46 132.00 131.23 1qry h PRO 9 Ca -0.16 -0.42 -0.10 0.00 0.10 0.00 0.00 66.00 65.41 1qry h PRO 9 Cb 0.49 0.16 -0.10 0.00 0.10 0.00 0.00 31.00 31.65 1qry h PRO 9 CO 0.06 1.20 0.10 0.27 0.10 0.00 0.00 178.00 179.73 1qry n ASN 10 N -3.88 -1.21 -1.55 -2.05 2.04 -1.26 -5.14 115.26 102.22 1qry n ASN 10 Ca -0.26 -1.82 0.01 0.00 -0.44 0.00 0.00 54.58 52.07 1qry n ASN 10 Cb 0.92 1.12 -0.00 0.00 -2.53 0.00 0.00 39.78 39.28 1qry n ASN 10 CO 0.00 0.00 0.00 1.17 -0.44 0.00 0.00 177.26 177.99 1qry n LYS 11 N 0.21 -3.78 0.00 -3.83 3.00 -1.26 -3.99 118.16 108.50 1qry n LYS 11 Ca -0.11 2.95 0.00 0.00 -0.00 0.00 0.00 58.31 61.14 1qry n LYS 11 Cb 0.73 -3.76 0.00 0.00 0.00 0.00 0.00 35.03 32.00 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 -2.67 0.61 -3.11 1.64 5.02 -1.26 -4.74 118.16 113.65 1qry n LYS 12 Ca -0.00 0.00 -0.04 0.00 -2.02 0.00 0.00 58.31 56.25 1qry n LYS 12 Cb 0.46 -1.22 0.02 0.00 -0.02 0.00 0.00 35.03 34.27 1qry n LYS 12 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1qry n ARG 13 N 0.59 -1.56 0.00 1.97 1.74 -1.26 -4.84 116.66 113.31 1qry n ARG 13 Ca 0.00 1.34 0.03 0.00 -0.77 0.00 0.00 57.85 58.45 1qry n ARG 13 Cb 0.28 -5.78 0.20 0.00 -1.02 0.00 0.00 32.46 26.14 1qry n ARG 13 CO 0.00 0.00 0.00 1.17 -1.52 0.00 0.00 177.63 177.28 1qry n LYS 14 N -2.15 0.90 -0.90 5.56 4.81 -1.26 -4.88 118.16 120.23 1qry n LYS 14 Ca -0.02 0.00 -0.41 0.00 -0.87 0.00 0.00 58.31 57.01 1qry n LYS 14 Cb 0.53 -1.12 -0.08 0.00 0.02 0.00 0.00 35.03 34.39 1qry n LYS 14 CO 0.00 0.00 0.00 0.54 1.17 0.00 0.00 177.40 179.11 1qry n ARG 15 N -0.62 0.00 -0.82 1.64 1.74 -1.26 -4.82 116.66 112.52 1qry n ARG 15 Ca 0.05 0.00 -0.29 0.00 -0.77 0.00 0.00 57.85 56.84 1qry n ARG 15 Cb 0.02 -1.01 0.19 0.00 -1.02 0.00 0.00 32.46 30.64 1qry n ARG 15 CO 0.00 0.00 0.00 -0.98 -1.52 0.00 0.00 177.63 175.13 1qry s ARG 16 N 3.67 0.30 0.56 5.56 3.03 -1.26 -4.93 118.95 125.88 1qry s ARG 16 Ca 0.79 1.00 -0.21 0.00 2.03 0.00 0.00 55.73 59.34 1qry s ARG 16 Cb -1.01 -1.68 -0.04 0.00 -1.03 0.00 0.00 34.95 31.18 1qry s ARG 16 CO 0.46 -2.95 1.32 0.14 -1.13 0.00 0.00 175.30 173.15 1qry s VAL 17 N -2.68 2.17 0.00 4.99 -7.23 -1.26 -5.02 120.40 111.38 1qry s VAL 17 Ca 0.66 0.12 0.00 0.00 -1.81 0.00 0.00 61.98 60.96 1qry s VAL 17 Cb -0.22 -3.06 0.00 0.00 0.56 0.00 0.00 36.38 33.66 1qry s VAL 17 CO 0.60 -0.01 0.00 0.18 -0.31 0.00 0.00 175.10 175.56 1qry n LEU 18 N -1.19 0.00 -3.69 1.32 7.99 -1.26 -5.10 117.00 115.07 1qry n LEU 18 Ca 0.11 0.00 -0.14 0.00 -0.01 0.00 0.00 56.01 55.97 1qry n LEU 18 Cb 0.46 0.00 -0.08 0.00 -0.11 0.00 0.00 43.42 43.69 1qry n LEU 18 CO 0.51 0.00 0.17 -0.36 -1.51 0.00 0.00 177.39 176.19 1qry s PHE 19 N 0.00 -0.43 -0.12 -1.77 0.08 -1.26 -5.08 117.98 109.40 1qry s PHE 19 Ca 0.00 0.88 -0.37 0.00 0.12 0.00 0.00 56.93 57.55 1qry s PHE 19 Cb 0.00 0.20 -0.15 0.00 -0.57 0.00 0.00 43.02 42.50 1qry s PHE 19 CO 0.00 -0.38 1.69 0.25 -0.10 0.00 0.00 175.22 176.68 1qry n THR 20 N 1.85 0.29 0.31 0.64 -2.24 -1.26 -4.64 114.28 109.24 1qry n THR 20 Ca -0.18 -0.05 0.02 0.00 -2.27 0.00 0.00 64.05 61.57 1qry n THR 20 Cb 0.56 -1.35 0.10 0.00 -2.10 0.00 0.00 70.33 67.54 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 7.12 0.00 0.12 -0.78 6.56 -1.99 0.75 116.57 128.35 1qry h LYS 21 Ca -0.47 0.00 -0.01 0.00 -1.06 0.00 0.00 60.65 59.11 1qry h LYS 21 Cb 1.30 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.96 1qry h LYS 21 CO 0.92 0.00 -0.06 0.00 -2.06 0.00 0.00 179.45 178.25 1qry h ALA 22 N 0.17 -0.37 -2.67 3.86 0.00 -1.98 -1.94 119.26 116.33 1qry h ALA 22 Ca 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1qry h ALA 22 Cb 1.77 0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.62 1qry h ALA 22 CO 0.00 -0.36 0.00 1.04 0.00 0.00 0.00 179.25 179.93 1qry n GLN 23 N -3.12 0.00 -0.18 0.00 6.02 0.26 0.13 117.38 120.49 1qry n GLN 23 Ca -0.02 0.26 0.15 0.00 -0.01 0.00 0.00 57.00 57.38 1qry n GLN 23 Cb 0.06 -0.71 0.28 0.00 1.02 0.00 0.00 30.24 30.90 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 -0.56 -0.23 0.00 5.09 -1.04 -1.07 0.17 114.28 116.65 1qry n THR 24 Ca 0.00 1.11 0.00 0.00 -2.04 0.00 0.00 64.05 63.12 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 -4.32 0.00 -0.28 -1.42 9.36 0.36 0.24 117.16 121.10 1qry n TYR 25 Ca 0.19 0.00 -0.05 0.00 3.32 0.00 0.00 57.90 61.36 1qry n TYR 25 Cb 0.63 -0.11 0.00 0.00 -0.63 0.00 0.00 39.34 39.22 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 -0.11 -0.96 2.98 4.39 0.18 2.23 114.58 123.28 1qry h GLU 26 Ca 0.00 0.01 0.26 0.00 0.34 0.00 0.00 59.36 59.97 1qry h GLU 26 Cb 0.00 0.03 -0.13 0.00 -0.10 0.00 0.00 28.75 28.54 1qry h GLU 26 CO 0.00 -0.07 0.50 1.25 -1.16 0.00 0.00 179.01 179.53 1qry h LEU 27 N -0.11 0.48 0.04 1.33 5.85 0.17 0.24 115.31 123.31 1qry h LEU 27 Ca 0.25 0.16 -0.00 0.00 0.84 0.00 0.00 57.88 59.13 1qry h LEU 27 Cb 0.56 0.11 0.00 0.00 0.37 0.00 0.00 40.66 41.70 1qry h LEU 27 CO -0.80 -0.01 -0.02 -0.33 -0.34 0.00 0.00 178.44 176.93 1qry h GLU 28 N 0.43 -0.06 -0.97 1.25 5.08 1.72 -3.13 114.58 118.91 1qry h GLU 28 Ca 0.64 0.00 0.26 0.00 -1.00 0.00 0.00 59.36 59.26 1qry h GLU 28 Cb 1.29 0.01 -0.18 0.00 0.50 0.00 0.00 28.75 30.38 1qry h GLU 28 CO -0.54 0.46 0.01 0.00 -1.00 0.00 0.00 179.01 177.94 1qry h ARG 29 N -0.60 0.02 -0.96 2.33 3.08 0.41 3.06 114.38 121.72 1qry h ARG 29 Ca -0.01 -0.00 0.28 0.00 0.07 0.00 0.00 59.98 60.32 1qry h ARG 29 Cb 0.54 -0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.54 1qry h ARG 29 CO 0.01 0.01 0.82 -0.09 -1.07 0.00 0.00 179.97 179.66 1qry h ARG 30 N 0.02 0.00 0.00 0.04 1.12 -1.06 1.40 114.38 115.90 1qry h ARG 30 Ca 0.58 0.00 -0.03 0.00 -1.11 0.00 0.00 59.98 59.42 1qry h ARG 30 Cb 1.16 0.00 -0.00 0.00 -0.01 0.00 0.00 29.97 31.12 1qry h ARG 30 CO -0.90 0.00 -0.13 0.35 -3.11 0.00 0.00 179.97 176.17 1qry h PHE 31 N 0.00 0.00 0.00 2.20 3.04 0.55 -1.97 116.94 120.75 1qry h PHE 31 Ca 0.46 0.00 0.00 0.00 3.98 0.00 0.00 57.97 62.41 1qry h PHE 31 Cb 2.10 0.00 0.00 0.00 2.56 0.00 0.00 35.95 40.61 1qry h PHE 31 CO 0.00 0.13 -0.01 0.00 -2.02 0.00 0.00 178.31 176.42 1qry h ARG 32 N 0.00 0.00 0.00 1.11 -0.00 0.19 -3.31 114.38 112.36 1qry h ARG 32 Ca -0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.98 59.48 1qry h ARG 32 Cb 0.41 0.00 0.00 0.00 0.00 0.00 0.00 29.97 30.38 1qry h ARG 32 CO 0.02 0.00 0.03 1.04 0.00 0.00 0.00 179.97 181.06 1qry n GLN 33 N -2.21 0.00 -3.65 0.04 1.13 -1.16 -4.26 117.38 107.26 1qry n GLN 33 Ca -0.00 0.07 -0.11 0.00 -1.94 0.00 0.00 57.00 55.01 1qry n GLN 33 Cb 0.00 -1.53 -0.08 0.00 0.11 0.00 0.00 30.24 28.75 1qry n GLN 33 CO 0.00 0.00 0.00 -1.14 -1.44 0.00 0.00 177.06 174.48 1qry s GLN 34 N -1.87 0.72 0.00 -1.09 2.00 -0.74 -5.03 119.66 113.65 1qry s GLN 34 Ca 0.00 1.01 0.11 0.00 -2.00 0.00 0.00 55.36 54.48 1qry s GLN 34 Cb 0.00 0.27 -0.11 0.00 0.80 0.00 0.00 33.01 33.96 1qry s GLN 34 CO 0.00 -0.12 0.48 2.89 -0.50 0.00 0.00 175.29 178.04 1qry n ARG 35 N 3.38 3.32 -2.95 1.67 1.85 -1.25 -3.81 116.66 118.87 1qry n ARG 35 Ca -0.17 -0.04 -0.14 0.00 -1.00 0.00 0.00 57.85 56.50 1qry n ARG 35 Cb 0.57 -1.02 0.00 0.00 -1.05 0.00 0.00 32.46 30.96 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 -1.19 0.24 -0.79 2.89 0.18 -1.26 -5.08 117.16 112.15 1qry n TYR 36 Ca 0.02 -3.27 -0.31 0.00 1.88 0.00 0.00 57.90 56.22 1qry n TYR 36 Cb 0.17 -0.20 -0.04 0.00 -0.38 0.00 0.00 39.34 38.89 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 0.13 0.09 0.00 -3.48 4.32 -1.26 -4.91 117.00 111.88 1qry n LEU 37 Ca 0.17 0.60 0.00 0.00 -0.02 0.00 0.00 56.01 56.76 1qry n LEU 37 Cb 0.73 -0.47 0.00 0.00 -1.62 0.00 0.00 43.42 42.06 1qry n LEU 37 CO 0.21 -0.90 0.00 -1.20 -1.22 0.00 0.00 177.39 174.28 1qry n SER 38 N 0.97 0.00 0.02 -1.43 7.64 -1.26 -4.89 113.62 114.67 1qry n SER 38 Ca 0.11 0.00 -0.06 0.00 1.01 0.00 0.00 58.87 59.93 1qry n SER 38 Cb 0.03 0.00 -0.12 0.00 -1.01 0.00 0.00 64.21 63.11 1qry n SER 38 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1qry h ALA 39 N -0.56 0.66 -0.00 -0.43 0.00 -2.00 -3.34 119.26 113.59 1qry h ALA 39 Ca 0.00 -1.17 0.00 0.00 0.00 0.00 0.00 54.91 53.74 1qry h ALA 39 Cb 0.00 0.28 0.00 0.00 0.00 0.00 0.00 17.79 18.07 1qry h ALA 39 CO 0.00 1.33 -0.85 -0.35 0.00 0.00 0.00 179.25 179.38 1qry n PRO 40 N -3.09 0.28 0.03 0.00 -0.04 -1.26 -3.59 135.00 127.33 1qry n PRO 40 Ca -0.11 -0.23 -0.18 0.00 -0.04 0.00 0.00 63.50 62.94 1qry n PRO 40 Cb 0.97 -1.50 -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 0.56 0.25 0.00 0.54 4.39 -1.93 -3.32 114.58 115.07 1qry h GLU 41 Ca 0.00 -0.42 0.00 0.00 0.34 0.00 0.00 59.36 59.28 1qry h GLU 41 Cb 0.56 0.16 0.00 0.00 -0.10 0.00 0.00 28.75 29.36 1qry h GLU 41 CO 0.00 1.09 -0.48 2.89 -1.16 0.00 0.00 179.01 181.36 1qry n ARG 42 N -3.43 0.20 0.14 2.33 -4.01 -1.25 -3.15 116.66 107.50 1qry n ARG 42 Ca -0.23 0.07 0.13 0.00 -1.04 0.00 0.00 57.85 56.78 1qry n ARG 42 Cb 1.05 -1.64 0.29 0.00 -3.04 0.00 0.00 32.46 29.12 1qry n ARG 42 CO 0.00 0.00 0.00 1.05 -3.04 0.00 0.00 177.63 175.64 1qry h GLU 43 N 0.00 0.00 0.00 2.89 4.11 -1.69 -2.56 114.58 117.33 1qry h GLU 43 Ca 0.00 0.00 -0.25 0.00 0.07 0.00 0.00 59.36 59.18 1qry h GLU 43 Cb 0.67 0.00 0.02 0.00 0.50 0.00 0.00 28.75 29.94 1qry h GLU 43 CO 0.00 0.00 -1.01 1.25 0.07 0.00 0.00 179.01 179.32 1qry h HIS 44 N 0.00 0.91 0.67 2.06 2.76 -1.64 -3.28 115.15 116.63 1qry h HIS 44 Ca 0.00 -0.50 -0.03 0.00 -2.20 0.00 0.00 60.37 57.64 1qry h HIS 44 Cb 0.84 -0.10 0.01 0.00 1.55 0.00 0.00 27.41 29.71 1qry h HIS 44 CO 0.00 1.33 -0.32 1.25 -1.30 0.00 0.00 177.93 178.89 1qry h LEU 45 N 0.35 -0.76 -0.50 0.26 5.85 -1.58 -2.45 115.31 116.47 1qry h LEU 45 Ca -0.11 0.03 0.15 0.00 0.84 0.00 0.00 57.88 58.78 1qry h LEU 45 Cb 1.66 0.20 -0.02 0.00 0.37 0.00 0.00 40.66 42.87 1qry h LEU 45 CO 0.19 -0.52 0.55 0.35 -0.34 0.00 0.00 178.44 178.67 1qry n THR 46 N -4.54 0.00 0.08 1.05 -2.24 -0.98 0.55 114.28 108.20 1qry n THR 46 Ca -0.11 0.57 0.03 0.00 -2.27 0.00 0.00 64.05 62.27 1qry n THR 46 Cb 0.36 -1.01 -0.03 0.00 -2.10 0.00 0.00 70.33 67.55 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 -1.50 -2.99 113.55 113.35 1qry h SER 47 Ca 0.24 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.80 1qry h SER 47 Cb 1.34 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.30 1qry h SER 47 CO -0.00 0.42 0.00 0.18 -0.53 0.00 0.00 176.83 176.90 1qry n LEU 48 N -2.94 0.13 -0.84 2.23 4.77 2.16 -4.59 117.00 117.93 1qry n LEU 48 Ca -0.04 0.30 0.12 0.00 -0.03 0.00 0.00 56.01 56.36 1qry n LEU 48 Cb 0.74 -0.47 0.22 0.00 -2.33 0.00 0.00 43.42 41.59 1qry n LEU 48 CO 0.41 -0.47 0.70 2.30 -1.33 0.00 0.00 177.39 179.01 1qry n ILE 49 N -2.09 0.03 0.00 -0.08 -0.00 -1.15 -4.96 119.36 111.11 1qry n ILE 49 Ca 0.00 -0.45 0.00 0.00 -0.00 0.00 0.00 62.75 62.30 1qry n ILE 49 Cb 0.00 1.19 0.00 0.00 -0.00 0.00 0.00 39.64 40.83 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 1.04 0.00 -1.50 6.28 1.74 -1.13 -4.89 116.66 118.19 1qry n ARG 50 Ca 0.16 0.00 -0.30 0.00 -0.77 0.00 0.00 57.85 56.93 1qry n ARG 50 Cb 0.53 -1.98 -0.18 0.00 -1.02 0.00 0.00 32.46 29.81 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 -0.39 -2.38 0.55 7.99 -1.26 -4.59 117.00 116.93 1qry n LEU 51 Ca 0.00 -0.27 -0.30 0.00 -0.01 0.00 0.00 56.01 55.42 1qry n LEU 51 Cb 0.00 -0.80 -0.04 0.00 -0.11 0.00 0.00 43.42 42.47 1qry n LEU 51 CO 0.00 -1.19 0.24 0.35 -1.51 0.00 0.00 177.39 175.28 1qry n THR 52 N 6.64 0.21 0.00 -5.08 -2.24 -1.26 -3.84 114.28 108.70 1qry n THR 52 Ca 0.65 -0.05 0.00 0.00 -2.27 0.00 0.00 64.05 62.38 1qry n THR 52 Cb 0.12 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.35 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 0.74 0.00 -0.34 -0.78 -0.04 -1.26 0.17 135.00 133.49 1qry n PRO 53 Ca 0.10 0.59 -0.01 0.00 -0.04 0.00 0.00 63.50 64.15 1qry n PRO 53 Cb 0.06 -0.96 0.04 0.00 -0.04 0.00 0.00 33.50 32.60 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 0.04 -0.43 0.52 2.02 -1.94 0.57 112.91 113.70 1qry h THR 54 Ca 0.00 0.00 0.09 0.00 0.77 0.00 0.00 66.41 67.27 1qry h THR 54 Cb 0.00 0.04 -0.09 0.00 -1.74 0.00 0.00 68.15 66.37 1qry h THR 54 CO 0.00 0.00 -0.17 1.56 0.37 0.00 0.00 175.52 177.28 1qry h GLN 55 N -0.04 -0.08 -0.66 6.66 1.08 -0.56 0.15 115.11 121.66 1qry h GLN 55 Ca 0.33 0.01 0.13 0.00 -1.45 0.00 0.00 58.65 57.67 1qry h GLN 55 Cb 0.60 0.02 -0.13 0.00 -0.05 0.00 0.00 27.48 27.92 1qry h GLN 55 CO -0.92 -0.06 -0.20 0.28 -0.95 0.00 0.00 178.83 176.99 1qry h VAL 56 N -0.09 0.29 0.35 -0.54 2.07 0.36 1.21 116.25 119.91 1qry h VAL 56 Ca 0.21 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.71 1qry h VAL 56 Cb 0.40 0.29 0.00 0.00 -1.52 0.00 0.00 31.29 30.47 1qry h VAL 56 CO -0.48 0.00 -0.17 0.50 0.02 0.00 0.00 177.57 177.44 1qry h LYS 57 N -0.03 -0.46 0.00 1.57 3.64 -0.03 -2.54 116.57 118.72 1qry h LYS 57 Ca 0.31 0.03 -0.03 0.00 -1.27 0.00 0.00 60.65 59.69 1qry h LYS 57 Cb 0.51 0.10 -0.00 0.00 -0.41 0.00 0.00 32.23 32.43 1qry h LYS 57 CO -0.70 -0.28 -0.16 0.82 -2.27 0.00 0.00 179.45 176.86 1qry h ILE 58 N -0.51 0.89 0.47 2.00 1.08 0.52 -3.03 117.51 118.94 1qry h ILE 58 Ca -0.05 -0.61 -0.01 0.00 -0.39 0.00 0.00 64.86 63.80 1qry h ILE 58 Cb 0.39 1.35 -0.01 0.00 -3.07 0.00 0.00 36.82 35.47 1qry h ILE 58 CO 0.08 0.16 -0.37 -0.25 -0.69 0.00 0.00 178.15 177.08 1qry h TRP 59 N 0.00 -0.99 -0.69 1.37 7.01 0.19 -2.45 115.95 120.39 1qry h TRP 59 Ca -0.00 -0.00 0.13 0.00 2.11 0.00 0.00 58.89 61.12 1qry h TRP 59 Cb 0.34 0.37 -0.12 0.00 -2.10 0.00 0.00 29.16 27.64 1qry h TRP 59 CO 0.00 -0.54 -0.21 1.19 -2.79 0.00 0.00 178.44 176.10 1qry n PHE 60 N -5.49 0.16 -0.28 2.65 3.01 -1.14 0.23 117.46 116.61 1qry n PHE 60 Ca -0.11 0.84 0.23 0.00 1.01 0.00 0.00 57.45 59.42 1qry n PHE 60 Cb 0.38 -0.84 0.43 0.00 -0.01 0.00 0.00 39.48 39.44 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 -5.08 -0.06 0.11 -1.08 7.27 -0.92 0.34 117.38 117.96 1qry n GLN 61 Ca 0.09 1.21 -0.13 0.00 0.07 0.00 0.00 57.00 58.24 1qry n GLN 61 Cb 0.32 -2.09 -0.07 0.00 2.41 0.00 0.00 30.24 30.80 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 -0.18 0.01 1.69 -1.24 0.28 -2.69 115.58 113.45 1qry h ASN 62 Ca 0.67 0.01 -0.16 0.00 0.71 0.00 0.00 56.30 57.53 1qry h ASN 62 Cb 1.68 0.05 -0.02 0.00 0.73 0.00 0.00 38.32 40.76 1qry h ASN 62 CO -0.70 -0.13 -0.86 0.45 -1.29 0.00 0.00 177.43 174.91 1qry h HIS 63 N -0.20 0.04 -0.77 0.67 3.86 0.16 -3.15 115.15 115.76 1qry h HIS 63 Ca -0.02 -0.03 0.12 0.00 -1.16 0.00 0.00 60.37 59.28 1qry h HIS 63 Cb 0.16 -0.00 -0.12 0.00 1.06 0.00 0.00 27.41 28.51 1qry h HIS 63 CO -0.08 1.33 -0.30 -2.13 0.86 0.00 0.00 177.93 177.62 1qry n ARG 64 N -4.44 -0.18 -0.08 2.45 0.00 1.03 0.44 116.66 115.88 1qry n ARG 64 Ca -0.24 1.18 -0.13 0.00 -0.00 0.00 0.00 57.85 58.66 1qry n ARG 64 Cb 0.64 -1.75 -0.05 0.00 0.00 0.00 0.00 32.46 31.30 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 0.71 0.13 -0.14 3.20 -1.63 -3.31 116.97 115.94 1qry h TYR 65 Ca 0.26 -0.21 -0.21 0.00 3.14 0.00 0.00 58.73 61.71 1qry h TYR 65 Cb 0.45 -0.15 0.02 0.00 1.54 0.00 0.00 36.73 38.60 1qry h TYR 65 CO -0.68 0.92 -0.92 -0.22 -1.64 0.00 0.00 178.16 175.63 1qry h LYS 66 N 0.30 0.38 0.00 1.82 3.64 0.06 -3.13 116.57 119.65 1qry h LYS 66 Ca 0.04 -0.59 0.00 0.00 -1.27 0.00 0.00 60.65 58.83 1qry h LYS 66 Cb 0.80 0.21 0.00 0.00 -0.41 0.00 0.00 32.23 32.83 1qry h LYS 66 CO 0.06 1.26 0.61 0.25 -2.27 0.00 0.00 179.45 179.36 1qry n THR 67 N -4.05 0.18 0.04 1.00 -2.24 1.55 0.32 114.28 111.07 1qry n THR 67 Ca -0.14 0.74 -0.18 0.00 -2.27 0.00 0.00 64.05 62.19 1qry n THR 67 Cb 0.85 -1.74 -0.14 0.00 -2.10 0.00 0.00 70.33 67.21 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 0.26 -0.48 -0.78 1.57 -1.63 -3.32 116.57 112.20 1qry h LYS 68 Ca 0.00 -0.44 0.06 0.00 -1.87 0.00 0.00 60.65 58.40 1qry h LYS 68 Cb 1.22 0.16 -0.03 0.00 0.08 0.00 0.00 32.23 33.67 1qry h LYS 68 CO 0.00 1.11 0.32 0.00 -0.57 0.00 0.00 179.45 180.31 1qry h ARG 69 N 0.07 0.41 -0.86 3.15 2.47 0.50 -1.67 114.38 118.45 1qry h ARG 69 Ca -0.33 -0.02 0.22 0.00 -1.26 0.00 0.00 59.98 58.59 1qry h ARG 69 Cb 2.04 -0.09 -0.13 0.00 -1.65 0.00 0.00 29.97 30.14 1qry h ARG 69 CO 0.13 0.27 0.25 0.00 0.56 0.00 0.00 179.97 181.18 1qry h ALA 70 N 1.74 1.24 -0.58 0.04 0.00 -1.61 0.88 119.26 120.97 1qry h ALA 70 Ca 0.21 0.20 0.02 0.00 0.00 0.00 0.00 54.91 55.34 1qry h ALA 70 Cb 0.28 0.28 -0.03 0.00 0.00 0.00 0.00 17.79 18.32 1qry h ALA 70 CO -0.05 -0.42 0.38 1.96 0.00 0.00 0.00 179.25 181.12 1qry h GLN 71 N 0.25 0.69 0.00 0.00 4.20 -1.51 0.89 115.11 119.63 1qry h GLN 71 Ca 0.53 -0.04 0.00 0.00 0.06 0.00 0.00 58.65 59.20 1qry h GLN 71 Cb 1.03 -0.16 0.00 0.00 0.30 0.00 0.00 27.48 28.65 1qry h GLN 71 CO -0.61 0.46 0.00 -0.91 -0.67 0.00 0.00 178.83 177.10 1qry h ASN 72 N 0.71 0.00 0.00 1.46 4.21 0.68 -3.36 115.58 119.28 1qry h ASN 72 Ca 0.23 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.74 1qry h ASN 72 Cb 0.03 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.23 1qry h ASN 72 CO -0.06 0.00 0.00 1.21 -1.29 0.00 0.00 177.43 177.29 1qry n GLU 73 N -2.39 0.00 0.00 0.81 2.13 0.27 -4.96 120.64 116.50 1qry n GLU 73 Ca 0.03 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.85 1qry n GLU 73 Cb 0.30 -0.08 0.00 0.00 0.27 0.00 0.00 31.44 31.93 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 -0.23 0.00 0.00 5.31 3.00 -0.95 -4.91 118.16 120.38 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 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.03 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 0.00 1.20 0.00 3.14 0.00 -1.26 -5.13 105.19 103.14 1qry n GLY 75 Ca 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 46.02 45.95 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 0.00 0.00 -4.08 1.61 4.02 -1.26 -5.17 117.16 112.28 1qry n TYR 76 Ca 0.00 0.00 -0.12 0.00 -0.01 0.00 0.00 57.90 57.77 1qry n TYR 76 Cb 0.00 0.00 -0.11 0.00 -0.02 0.00 0.00 39.34 39.21 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 1.67 0.57 0.45 -0.72 2.02 -1.26 -5.12 118.70 116.31 1qry s GLU 77 Ca 0.00 -0.85 -0.24 0.00 0.02 0.00 0.00 54.97 53.90 1qry s GLU 77 Cb 0.00 -0.27 -0.09 0.00 0.10 0.00 0.00 34.13 33.87 1qry s GLU 77 CO 0.00 0.04 1.08 0.41 0.02 0.00 0.00 175.26 176.80 1qry n GLY 78 N 1.22 -0.01 3.17 -1.39 0.00 -1.26 -3.74 105.19 103.18 1qry n GLY 78 Ca -0.21 0.11 -0.00 0.00 0.00 0.00 0.00 46.02 45.92 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 -0.61 -0.04 1.75 1.61 8.25 -1.26 -5.31 115.22 119.62 1qry n HIS 79 Ca 0.09 0.02 0.15 0.00 -0.26 0.00 0.00 57.72 57.72 1qry n HIS 79 Cb 0.41 -1.03 0.74 0.00 1.12 0.00 0.00 29.99 31.23 1qry n HIS 79 CO 0.00 0.00 0.00 -0.35 0.64 0.00 0.00 176.34 176.63