#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 -0.88 -0.32 1.61 1.04 -1.26 -5.10 113.70 108.79 1qry s SER 2 Ca 0.00 -0.89 -0.10 0.00 0.48 0.00 0.00 55.95 55.44 1qry s SER 2 Cb 0.00 1.15 0.19 0.00 0.10 0.00 0.00 66.02 67.46 1qry s SER 2 CO 0.00 -0.05 1.07 -2.28 0.98 0.00 0.00 173.24 172.96 1qry s HIS 3 N 1.18 -0.31 0.00 5.02 2.46 -1.26 -5.02 115.29 117.36 1qry s HIS 3 Ca 0.24 0.04 0.00 0.00 0.47 0.00 0.00 55.06 55.80 1qry s HIS 3 Cb 0.05 0.06 0.00 0.00 -0.13 0.00 0.00 32.58 32.55 1qry s HIS 3 CO -0.09 -0.22 0.09 0.00 -2.47 0.00 0.00 174.74 172.06 1qry n MET 4 N 3.58 0.37 -4.07 2.88 -0.00 -1.26 -5.02 117.12 113.60 1qry n MET 4 Ca 0.06 -0.09 -0.30 0.00 -0.00 0.00 0.00 57.70 57.37 1qry n MET 4 Cb 0.64 -0.48 -0.03 0.00 -0.00 0.00 0.00 33.22 33.35 1qry n MET 4 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 175.97 176.42 1qry n SER 5 N -0.08 -1.45 -4.21 3.17 2.88 -1.26 -4.95 113.62 107.73 1qry n SER 5 Ca 0.00 -1.02 -0.23 0.00 -1.33 0.00 0.00 58.87 56.29 1qry n SER 5 Cb 0.13 -2.89 -0.14 0.00 -0.75 0.00 0.00 64.21 60.56 1qry n SER 5 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 1qry s ASP 6 N -3.96 2.13 0.00 -3.46 -1.08 -1.26 -4.73 116.67 104.32 1qry s ASP 6 Ca 0.29 -0.52 0.00 0.00 -0.52 0.00 0.00 52.55 51.80 1qry s ASP 6 Cb -0.16 -0.15 0.00 0.00 -1.46 0.00 0.00 42.92 41.15 1qry s ASP 6 CO 0.91 0.09 0.00 0.61 0.52 0.00 0.00 175.17 177.30 1qry n GLY 7 N 1.76 3.04 0.60 2.66 0.00 -1.26 -4.88 105.19 107.11 1qry n GLY 7 Ca -0.18 -0.48 -0.00 0.00 0.00 0.00 0.00 46.02 45.36 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 -0.12 0.00 0.99 7.99 -1.26 -4.67 117.00 119.92 1qry n LEU 8 Ca 0.00 0.01 0.09 0.00 -0.01 0.00 0.00 56.01 56.11 1qry n LEU 8 Cb 0.00 -0.05 0.55 0.00 -0.11 0.00 0.00 43.42 43.80 1qry n LEU 8 CO 0.00 -0.05 0.78 -0.81 -1.51 0.00 0.00 177.39 175.80 1qry n PRO 9 N 0.53 0.77 -0.02 3.23 -0.04 -1.26 -2.55 135.00 135.66 1qry n PRO 9 Ca -0.00 0.00 0.07 0.00 -0.04 0.00 0.00 63.50 63.53 1qry n PRO 9 Cb 0.02 -1.38 -0.13 0.00 -0.04 0.00 0.00 33.50 31.97 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 -0.88 1.02 0.00 3.54 0.23 -1.26 -4.96 115.26 112.95 1qry n ASN 10 Ca 0.14 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 54.19 1qry n ASN 10 Cb 0.06 1.70 0.00 0.00 -2.08 0.00 0.00 39.78 39.46 1qry n ASN 10 CO 0.00 0.00 0.00 1.17 -0.93 0.00 0.00 177.26 177.50 1qry n LYS 11 N -2.16 0.00 -3.79 -3.83 0.00 -1.06 -4.66 118.16 102.66 1qry n LYS 11 Ca -0.06 0.00 -0.21 0.00 0.00 0.00 0.00 58.31 58.04 1qry n LYS 11 Cb 0.52 0.00 -0.04 0.00 0.00 0.00 0.00 35.03 35.51 1qry n LYS 11 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.40 177.55 1qry s LYS 12 N 0.00 2.66 -1.56 1.64 -0.14 -1.26 -4.53 119.74 116.55 1qry s LYS 12 Ca 0.00 -1.36 -0.15 0.00 -1.36 0.00 0.00 55.97 53.10 1qry s LYS 12 Cb 0.00 -2.43 0.10 0.00 -1.68 0.00 0.00 37.83 33.82 1qry s LYS 12 CO 0.00 0.04 0.91 -2.13 -0.76 0.00 0.00 175.35 173.41 1qry n ARG 13 N -1.39 -4.86 0.22 1.68 0.63 -1.26 -4.86 116.66 106.83 1qry n ARG 13 Ca -0.01 0.54 -0.16 0.00 -0.92 0.00 0.00 57.85 57.30 1qry n ARG 13 Cb 0.60 -5.39 -0.09 0.00 0.45 0.00 0.00 32.46 28.03 1qry n ARG 13 CO 0.00 0.00 0.00 1.57 -2.51 0.00 0.00 177.63 176.69 1qry h LYS 14 N -1.87 -0.80 -3.08 -0.14 2.10 -1.89 -3.40 116.57 107.49 1qry h LYS 14 Ca -0.57 0.05 -0.28 0.00 -2.00 0.00 0.00 60.65 57.86 1qry h LYS 14 Cb 1.37 0.18 -0.06 0.00 -0.90 0.00 0.00 32.23 32.82 1qry h LYS 14 CO 0.69 -0.53 1.15 -2.13 -2.00 0.00 0.00 179.45 176.62 1qry n ARG 15 N -5.51 0.00 -3.46 0.07 0.63 -1.26 -4.84 116.66 102.29 1qry n ARG 15 Ca -0.10 0.00 -0.19 0.00 -0.92 0.00 0.00 57.85 56.64 1qry n ARG 15 Cb 0.41 -0.81 -0.00 0.00 0.45 0.00 0.00 32.46 32.50 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 5.10 3.11 -0.07 -0.14 3.52 -1.26 -5.12 118.95 124.08 1qry s ARG 16 Ca 0.83 -1.02 -0.06 0.00 -0.13 0.00 0.00 55.73 55.34 1qry s ARG 16 Cb -0.69 -2.81 0.02 0.00 -1.56 0.00 0.00 34.95 29.91 1qry s ARG 16 CO 0.32 0.05 0.18 0.08 -0.81 0.00 0.00 175.30 175.13 1qry s VAL 17 N -2.18 -0.00 0.00 7.11 1.01 -1.26 -5.15 120.40 119.92 1qry s VAL 17 Ca 0.45 0.00 0.00 0.00 0.00 0.00 0.00 61.98 62.43 1qry s VAL 17 Cb -0.09 -0.26 0.00 0.00 0.00 0.00 0.00 36.38 36.02 1qry s VAL 17 CO 0.31 0.00 0.00 0.18 0.00 0.00 0.00 175.10 175.59 1qry n LEU 18 N 2.98 0.00 -3.60 3.92 7.99 -1.26 -5.15 117.00 121.88 1qry n LEU 18 Ca -0.13 0.00 -0.09 0.00 -0.01 0.00 0.00 56.01 55.79 1qry n LEU 18 Cb 0.59 0.00 -0.02 0.00 -0.11 0.00 0.00 43.42 43.88 1qry n LEU 18 CO 0.20 0.00 0.52 -0.36 -1.51 0.00 0.00 177.39 176.24 1qry s PHE 19 N 3.69 -0.35 0.08 -1.77 0.08 -1.26 -5.08 117.98 113.38 1qry s PHE 19 Ca 0.00 0.08 -0.31 0.00 0.12 0.00 0.00 56.93 56.82 1qry s PHE 19 Cb 0.00 0.61 -0.10 0.00 -0.57 0.00 0.00 43.02 42.96 1qry s PHE 19 CO 0.00 -0.89 1.91 0.25 -0.10 0.00 0.00 175.22 176.39 1qry n THR 20 N -0.39 0.57 0.32 0.64 -2.24 -1.26 -4.71 114.28 107.21 1qry n THR 20 Ca -0.10 -0.10 0.02 0.00 -2.27 0.00 0.00 64.05 61.59 1qry n THR 20 Cb 0.62 -2.22 0.09 0.00 -2.10 0.00 0.00 70.33 66.72 1qry n THR 20 CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 1qry h LYS 21 N 9.58 0.00 0.29 -0.78 3.64 -1.99 0.90 116.57 128.20 1qry h LYS 21 Ca -0.48 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 58.88 1qry h LYS 21 Cb 1.23 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.05 1qry h LYS 21 CO 0.94 0.00 -0.14 0.00 -2.27 0.00 0.00 179.45 177.99 1qry h ALA 22 N 0.15 -0.53 -3.00 5.00 0.00 -1.98 -1.41 119.26 117.50 1qry h ALA 22 Ca 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.83 1qry h ALA 22 Cb 1.81 0.15 0.00 0.00 0.00 0.00 0.00 17.79 19.75 1qry h ALA 22 CO 0.00 -0.50 0.00 1.04 0.00 0.00 0.00 179.25 179.79 1qry n GLN 23 N -4.10 0.00 -0.24 0.00 6.02 0.31 0.08 117.38 119.45 1qry n GLN 23 Ca -0.05 0.20 0.19 0.00 -0.01 0.00 0.00 57.00 57.34 1qry n GLN 23 Cb 0.15 -0.79 0.31 0.00 1.02 0.00 0.00 30.24 30.93 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 -0.49 -0.08 0.00 5.09 -1.04 -1.06 0.86 114.28 117.56 1qry n THR 24 Ca 0.00 0.74 0.00 0.00 -2.04 0.00 0.00 64.05 62.75 1qry n THR 24 Cb 0.00 -1.22 0.00 0.00 -1.82 0.00 0.00 70.33 67.29 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 -3.31 0.00 -0.22 -1.42 9.36 0.11 0.11 117.16 121.79 1qry n TYR 25 Ca 0.18 0.00 -0.04 0.00 3.32 0.00 0.00 57.90 61.36 1qry n TYR 25 Cb 0.74 -0.35 0.02 0.00 -0.63 0.00 0.00 39.34 39.12 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 -0.12 -0.93 2.98 4.39 0.23 2.58 114.58 123.72 1qry h GLU 26 Ca 0.00 0.01 0.22 0.00 0.34 0.00 0.00 59.36 59.92 1qry h GLU 26 Cb 0.00 0.03 -0.07 0.00 -0.10 0.00 0.00 28.75 28.61 1qry h GLU 26 CO 0.00 -0.08 0.61 1.25 -1.16 0.00 0.00 179.01 179.63 1qry h LEU 27 N -0.12 0.39 0.10 1.33 5.85 0.39 0.26 115.31 123.51 1qry h LEU 27 Ca 0.26 0.05 -0.19 0.00 0.84 0.00 0.00 57.88 58.84 1qry h LEU 27 Cb 0.55 -0.03 0.02 0.00 0.37 0.00 0.00 40.66 41.58 1qry h LEU 27 CO -0.71 0.14 -0.80 -0.33 -0.34 0.00 0.00 178.44 176.40 1qry h GLU 28 N 0.38 0.37 -0.97 1.25 4.39 1.10 -3.17 114.58 117.94 1qry h GLU 28 Ca 0.49 -0.53 0.21 0.00 0.34 0.00 0.00 59.36 59.86 1qry h GLU 28 Cb 1.25 0.18 -0.09 0.00 -0.10 0.00 0.00 28.75 30.00 1qry h GLU 28 CO -0.18 1.22 0.62 0.00 -1.16 0.00 0.00 179.01 179.50 1qry h ARG 29 N -0.21 0.53 -0.92 2.33 3.08 0.57 0.99 114.38 120.75 1qry h ARG 29 Ca -0.13 -0.03 0.06 0.00 0.07 0.00 0.00 59.98 59.95 1qry h ARG 29 Cb 1.58 -0.12 -0.06 0.00 0.08 0.00 0.00 29.97 31.45 1qry h ARG 29 CO 0.15 0.35 0.60 -0.09 -1.07 0.00 0.00 179.97 179.91 1qry h ARG 30 N 0.54 1.05 0.00 0.04 1.12 -0.65 0.21 114.38 116.69 1qry h ARG 30 Ca 0.53 -0.06 0.00 0.00 -1.11 0.00 0.00 59.98 59.34 1qry h ARG 30 Cb 1.12 -0.24 0.00 0.00 -0.01 0.00 0.00 29.97 30.85 1qry h ARG 30 CO -0.27 0.69 0.42 0.35 -3.11 0.00 0.00 179.97 178.05 1qry h PHE 31 N 1.08 0.00 0.00 2.20 3.04 0.11 0.26 116.94 123.63 1qry h PHE 31 Ca 0.39 0.00 0.00 0.00 3.98 0.00 0.00 57.97 62.34 1qry h PHE 31 Cb 0.14 0.00 0.00 0.00 2.56 0.00 0.00 35.95 38.65 1qry h PHE 31 CO -0.00 0.00 0.00 0.54 -2.02 0.00 0.00 178.31 176.83 1qry n ARG 32 N -2.53 0.00 0.29 1.11 3.00 0.74 -3.26 116.66 116.01 1qry n ARG 32 Ca -0.01 0.00 0.05 0.00 -0.01 0.00 0.00 57.85 57.88 1qry n ARG 32 Cb 0.45 -0.27 0.20 0.00 0.00 0.00 0.00 32.46 32.83 1qry n ARG 32 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.63 179.59 1qry h GLN 33 N 0.00 0.00 -3.27 5.56 1.08 -1.57 -3.32 115.11 113.59 1qry h GLN 33 Ca 0.00 0.00 -0.24 0.00 -1.45 0.00 0.00 58.65 56.96 1qry h GLN 33 Cb 0.00 0.00 -0.31 0.00 -0.05 0.00 0.00 27.48 27.12 1qry h GLN 33 CO 0.00 0.00 -0.60 -1.14 -0.95 0.00 0.00 178.83 176.14 1qry s GLN 34 N -4.05 0.10 0.00 1.46 2.00 0.91 -5.02 119.66 115.06 1qry s GLN 34 Ca -0.01 0.35 0.16 0.00 -2.00 0.00 0.00 55.36 53.86 1qry s GLN 34 Cb 0.03 -0.16 0.02 0.00 0.80 0.00 0.00 33.01 33.70 1qry s GLN 34 CO 0.10 -0.15 0.88 2.89 -0.50 0.00 0.00 175.29 178.50 1qry n ARG 35 N 4.11 1.62 -2.69 1.67 1.85 -1.20 -3.00 116.66 119.02 1qry n ARG 35 Ca -0.25 -0.93 -0.07 0.00 -1.00 0.00 0.00 57.85 55.59 1qry n ARG 35 Cb 0.52 -1.27 0.05 0.00 -1.05 0.00 0.00 32.46 30.71 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 0.08 0.46 -0.88 2.89 0.18 -1.26 -5.03 117.16 113.61 1qry n TYR 36 Ca 0.07 -2.52 -0.34 0.00 1.88 0.00 0.00 57.90 56.99 1qry n TYR 36 Cb 0.35 0.04 -0.05 0.00 -0.38 0.00 0.00 39.34 39.29 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 -0.28 0.58 0.00 -3.48 4.32 -1.26 -4.88 117.00 112.00 1qry n LEU 37 Ca 0.06 0.60 0.00 0.00 -0.02 0.00 0.00 56.01 56.65 1qry n LEU 37 Cb 0.82 -0.44 0.00 0.00 -1.62 0.00 0.00 43.42 42.18 1qry n LEU 37 CO 0.17 -0.45 0.00 -1.54 -1.22 0.00 0.00 177.39 174.35 1qry n SER 38 N 1.96 0.00 0.02 -1.43 3.41 -1.26 -4.82 113.62 111.49 1qry n SER 38 Ca 0.15 0.00 -0.06 0.00 -0.26 0.00 0.00 58.87 58.70 1qry n SER 38 Cb -0.03 0.00 -0.12 0.00 -0.26 0.00 0.00 64.21 63.81 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 -1.07 0.65 0.00 7.33 0.00 -2.00 -3.31 119.26 120.86 1qry h ALA 39 Ca 0.00 -1.18 0.00 0.00 0.00 0.00 0.00 54.91 53.73 1qry h ALA 39 Cb 0.00 0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.06 1qry h ALA 39 CO 0.00 1.35 -1.17 -0.35 0.00 0.00 0.00 179.25 179.08 1qry n PRO 40 N -3.10 0.29 0.01 0.00 -0.04 -1.26 -3.67 135.00 127.23 1qry n PRO 40 Ca -0.11 -0.04 -0.11 0.00 -0.04 0.00 0.00 63.50 63.20 1qry n PRO 40 Cb 0.97 -1.48 -0.14 0.00 -0.04 0.00 0.00 33.50 32.82 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 0.00 0.07 0.00 0.54 3.07 -1.92 -3.35 114.58 113.00 1qry h GLU 41 Ca 0.00 -0.13 -0.04 0.00 -0.50 0.00 0.00 59.36 58.70 1qry h GLU 41 Cb 0.58 0.05 -0.01 0.00 -0.84 0.00 0.00 28.75 28.53 1qry h GLU 41 CO 0.00 0.77 -0.83 0.07 -1.40 0.00 0.00 179.01 177.62 1qry h ARG 42 N 0.02 0.00 0.00 2.33 -0.00 -1.76 -3.15 114.38 111.83 1qry h ARG 42 Ca -0.24 0.00 0.00 0.00 -0.00 0.00 0.00 59.98 59.74 1qry h ARG 42 Cb 1.97 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 31.94 1qry h ARG 42 CO 0.10 0.09 0.00 0.39 -0.00 0.00 0.00 179.97 180.55 1qry n GLU 43 N -2.84 0.06 -0.07 0.08 -0.58 -1.24 0.16 120.64 116.21 1qry n GLU 43 Ca -0.01 0.46 -0.19 0.00 -0.42 0.00 0.00 57.16 57.01 1qry n GLU 43 Cb 0.61 -1.67 -0.13 0.00 -0.57 0.00 0.00 31.44 29.69 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 0.09 -0.25 -0.32 3.86 -1.72 -3.30 115.15 113.51 1qry h HIS 44 Ca 0.00 -0.07 0.04 0.00 -1.16 0.00 0.00 60.37 59.18 1qry h HIS 44 Cb 0.11 -0.00 -0.07 0.00 1.06 0.00 0.00 27.41 28.51 1qry h HIS 44 CO 0.00 1.32 -0.51 1.25 0.86 0.00 0.00 177.93 180.84 1qry h LEU 45 N -0.86 -1.67 0.00 2.43 7.12 -0.90 1.37 115.31 122.80 1qry h LEU 45 Ca -0.21 0.21 0.00 0.00 0.13 0.00 0.00 57.88 58.01 1qry h LEU 45 Cb 1.28 0.67 0.00 0.00 -0.53 0.00 0.00 40.66 42.08 1qry h LEU 45 CO -0.08 -0.41 0.75 0.35 -0.13 0.00 0.00 178.44 178.92 1qry n THR 46 N -5.20 0.00 -0.09 1.05 -2.24 0.12 0.42 114.28 108.35 1qry n THR 46 Ca -0.04 0.75 -0.18 0.00 -2.27 0.00 0.00 64.05 62.31 1qry n THR 46 Cb 0.33 -1.61 -0.10 0.00 -2.10 0.00 0.00 70.33 66.85 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 0.00 0.00 3.42 4.64 0.17 -3.20 113.55 118.59 1qry h SER 47 Ca 0.00 -0.56 0.00 0.00 -0.47 0.00 0.00 61.79 60.76 1qry h SER 47 Cb 1.51 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.60 1qry h SER 47 CO 0.00 1.27 0.00 0.18 -0.87 0.00 0.00 176.83 177.41 1qry n LEU 48 N -4.51 0.00 -1.93 5.97 4.32 1.42 -3.86 117.00 118.42 1qry n LEU 48 Ca -0.23 0.00 -0.16 0.00 -0.02 0.00 0.00 56.01 55.60 1qry n LEU 48 Cb 0.57 0.00 0.17 0.00 -1.62 0.00 0.00 43.42 42.54 1qry n LEU 48 CO 0.21 0.00 1.08 2.30 -1.22 0.00 0.00 177.39 179.75 1qry n ILE 49 N 0.00 2.68 -2.43 -0.08 -0.00 -1.15 -4.89 119.36 113.50 1qry n ILE 49 Ca 0.00 -1.47 -0.14 0.00 -0.00 0.00 0.00 62.75 61.14 1qry n ILE 49 Cb 0.00 -0.54 -0.03 0.00 -0.00 0.00 0.00 39.64 39.07 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 -0.63 -1.11 -0.01 6.28 1.74 -1.21 -4.58 116.66 117.15 1qry n ARG 50 Ca 0.44 0.04 0.00 0.00 -0.77 0.00 0.00 57.85 57.57 1qry n ARG 50 Cb 1.38 -1.95 0.00 0.00 -1.02 0.00 0.00 32.46 30.86 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 -1.76 1.74 -1.36 0.55 4.77 -1.26 -4.89 117.00 114.78 1qry n LEU 51 Ca 0.04 -0.87 0.16 0.00 -0.03 0.00 0.00 56.01 55.31 1qry n LEU 51 Cb 0.19 -0.29 -0.08 0.00 -2.33 0.00 0.00 43.42 40.91 1qry n LEU 51 CO 0.31 0.29 -0.51 0.35 -1.33 0.00 0.00 177.39 176.50 1qry n THR 52 N 0.74 -0.51 0.00 -5.08 -2.24 -1.26 -2.45 114.28 103.48 1qry n THR 52 Ca 0.00 0.69 0.00 0.00 -2.27 0.00 0.00 64.05 62.47 1qry n THR 52 Cb 0.29 -1.13 0.00 0.00 -2.10 0.00 0.00 70.33 67.39 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 -4.17 0.00 -0.33 -0.78 -0.02 -1.26 -2.13 135.00 126.31 1qry n PRO 53 Ca -0.07 0.00 0.05 0.00 -2.02 0.00 0.00 63.50 61.46 1qry n PRO 53 Cb 0.64 -0.20 0.12 0.00 -0.02 0.00 0.00 33.50 34.03 1qry n PRO 53 CO 0.00 0.00 0.00 2.41 1.98 0.00 0.00 175.50 179.89 1qry n THR 54 N -0.12 -0.40 0.00 3.45 -1.04 -1.26 0.41 114.28 115.32 1qry n THR 54 Ca 0.00 2.09 0.00 0.00 -2.04 0.00 0.00 64.05 64.10 1qry n THR 54 Cb 0.00 -2.88 0.00 0.00 -1.82 0.00 0.00 70.33 65.63 1qry n THR 54 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1qry n GLN 55 N -5.47 0.00 -0.23 -2.82 6.02 -1.26 0.10 117.38 113.72 1qry n GLN 55 Ca 0.14 0.97 -0.00 0.00 -0.01 0.00 0.00 57.00 58.10 1qry n GLN 55 Cb 0.44 -1.48 0.07 0.00 1.02 0.00 0.00 30.24 30.29 1qry n GLN 55 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 177.06 176.33 1qry h VAL 56 N 0.00 0.28 -0.42 5.09 2.07 0.50 0.30 116.25 124.07 1qry h VAL 56 Ca 0.00 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.61 1qry h VAL 56 Cb 0.00 0.28 -0.09 0.00 -1.52 0.00 0.00 31.29 29.97 1qry h VAL 56 CO 0.00 0.00 -0.15 0.50 0.02 0.00 0.00 177.57 177.94 1qry h LYS 57 N -0.02 -0.06 -0.62 1.57 3.64 0.24 -0.70 116.57 120.61 1qry h LYS 57 Ca 0.32 0.00 -0.09 0.00 -1.27 0.00 0.00 60.65 59.62 1qry h LYS 57 Cb 0.52 0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 32.33 1qry h LYS 57 CO -0.72 -0.04 0.05 0.82 -2.27 0.00 0.00 179.45 177.29 1qry h ILE 58 N -0.06 1.26 -0.78 2.00 1.08 0.34 -2.89 117.51 118.46 1qry h ILE 58 Ca 0.21 -1.09 0.15 0.00 -0.39 0.00 0.00 64.86 63.73 1qry h ILE 58 Cb 0.38 0.75 -0.15 0.00 -3.07 0.00 0.00 36.82 34.73 1qry h ILE 58 CO -0.47 0.40 -0.22 -0.25 -0.69 0.00 0.00 178.15 176.92 1qry h TRP 59 N 0.97 -0.51 0.77 1.37 7.01 1.00 -1.03 115.95 125.53 1qry h TRP 59 Ca 0.18 0.07 -0.04 0.00 2.11 0.00 0.00 58.89 61.22 1qry h TRP 59 Cb 0.50 0.34 0.01 0.00 -2.10 0.00 0.00 29.16 27.91 1qry h TRP 59 CO 0.04 -0.35 -0.38 0.74 -2.79 0.00 0.00 178.44 175.70 1qry h PHE 60 N -0.02 -1.00 -0.77 2.65 -1.00 -1.26 -1.42 116.94 114.12 1qry h PHE 60 Ca 0.36 -0.02 0.31 0.00 2.81 0.00 0.00 57.97 61.43 1qry h PHE 60 Cb 0.57 0.33 -0.14 0.00 3.61 0.00 0.00 35.95 40.33 1qry h PHE 60 CO -0.64 -0.61 0.37 0.94 -1.61 0.00 0.00 178.31 176.76 1qry n GLN 61 N -4.87 -0.05 0.12 1.51 7.27 -0.53 0.37 117.38 121.21 1qry n GLN 61 Ca -0.13 1.08 -0.12 0.00 0.07 0.00 0.00 57.00 57.89 1qry n GLN 61 Cb 0.42 -1.91 -0.08 0.00 2.41 0.00 0.00 30.24 31.08 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 -0.29 -0.01 1.69 -0.73 -0.61 -3.13 115.58 112.50 1qry h ASN 62 Ca 0.63 -0.24 -0.02 0.00 1.87 0.00 0.00 56.30 58.55 1qry h ASN 62 Cb 1.64 0.07 0.00 0.00 0.27 0.00 0.00 38.32 40.31 1qry h ASN 62 CO -0.61 0.14 -0.06 0.45 -0.37 0.00 0.00 177.43 176.98 1qry h HIS 63 N -0.79 0.08 -0.66 0.67 3.86 0.22 -2.97 115.15 115.56 1qry h HIS 63 Ca -0.03 -0.04 0.10 0.00 -1.16 0.00 0.00 60.37 59.23 1qry h HIS 63 Cb 0.51 -0.01 -0.10 0.00 1.06 0.00 0.00 27.41 28.86 1qry h HIS 63 CO 0.05 0.72 -0.28 -2.13 0.86 0.00 0.00 177.93 177.15 1qry n ARG 64 N -4.70 -0.18 -0.12 2.45 0.00 1.19 0.45 116.66 115.74 1qry n ARG 64 Ca -0.09 1.02 -0.12 0.00 -0.00 0.00 0.00 57.85 58.66 1qry n ARG 64 Cb 0.37 -1.51 -0.02 0.00 0.00 0.00 0.00 32.46 31.29 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 0.83 0.13 -0.14 3.20 -1.61 -3.28 116.97 116.11 1qry h TYR 65 Ca 0.21 -0.19 -0.21 0.00 3.14 0.00 0.00 58.73 61.68 1qry h TYR 65 Cb 0.38 -0.20 0.02 0.00 1.54 0.00 0.00 36.73 38.47 1qry h TYR 65 CO -0.60 0.90 -0.89 0.87 -1.64 0.00 0.00 178.16 176.80 1qry h LYS 66 N 0.53 0.37 0.00 1.82 1.57 0.14 -3.13 116.57 117.86 1qry h LYS 66 Ca 0.09 -0.58 0.00 0.00 -1.87 0.00 0.00 60.65 58.29 1qry h LYS 66 Cb 0.66 0.20 0.00 0.00 0.08 0.00 0.00 32.23 33.17 1qry h LYS 66 CO 0.04 1.25 0.65 1.79 -0.57 0.00 0.00 179.45 182.62 1qry h THR 67 N -0.22 0.00 0.08 -0.16 1.35 0.95 1.41 112.91 116.32 1qry h THR 67 Ca -0.15 0.00 -0.26 0.00 -0.55 0.00 0.00 66.41 65.45 1qry h THR 67 Cb 1.67 0.08 -0.01 0.00 -1.73 0.00 0.00 68.15 68.16 1qry h THR 67 CO 0.17 0.00 -1.37 0.11 -0.25 0.00 0.00 175.52 174.18 1qry h LYS 68 N 0.00 0.17 0.00 4.72 1.57 -1.61 -3.32 116.57 118.10 1qry h LYS 68 Ca 0.00 -0.29 0.00 0.00 -1.87 0.00 0.00 60.65 58.49 1qry h LYS 68 Cb 1.29 0.11 0.00 0.00 0.08 0.00 0.00 32.23 33.71 1qry h LYS 68 CO 0.00 1.14 0.00 0.00 -0.57 0.00 0.00 179.45 180.02 1qry h ARG 69 N -0.47 0.00 -0.36 3.15 -0.00 0.18 -2.22 114.38 114.66 1qry h ARG 69 Ca -0.31 0.00 -0.12 0.00 -0.50 0.00 0.00 59.98 59.05 1qry h ARG 69 Cb 1.64 0.00 -0.01 0.00 0.00 0.00 0.00 29.97 31.60 1qry h ARG 69 CO -0.01 0.00 -0.26 0.00 0.00 0.00 0.00 179.97 179.70 1qry h ALA 70 N 2.04 0.86 -0.16 0.04 0.00 -1.41 -2.30 119.26 118.33 1qry h ALA 70 Ca 0.00 -0.39 -0.14 0.00 0.00 0.00 0.00 54.91 54.38 1qry h ALA 70 Cb 0.29 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 1qry h ALA 70 CO 0.00 0.63 -0.50 1.96 0.00 0.00 0.00 179.25 181.34 1qry h GLN 71 N 0.64 0.43 -0.09 0.00 4.20 -1.53 -2.85 115.11 115.92 1qry h GLN 71 Ca 0.08 -0.25 -0.09 0.00 0.06 0.00 0.00 58.65 58.46 1qry h GLN 71 Cb 0.77 0.02 -0.01 0.00 0.30 0.00 0.00 27.48 28.56 1qry h GLN 71 CO 0.06 0.83 -0.34 -0.97 -0.67 0.00 0.00 178.83 177.74 1qry h ASN 72 N 0.34 0.17 -0.28 1.46 -1.24 -1.45 -0.54 115.58 114.04 1qry h ASN 72 Ca 0.01 -0.06 -0.08 0.00 0.71 0.00 0.00 56.30 56.88 1qry h ASN 72 Cb 1.00 -0.05 -0.05 0.00 0.73 0.00 0.00 38.32 39.95 1qry h ASN 72 CO 0.09 0.51 0.11 -0.62 -1.29 0.00 0.00 177.43 176.22 1qry n GLU 73 N -4.09 2.01 -4.49 6.67 -0.58 -0.89 -4.83 120.64 114.44 1qry n GLU 73 Ca -0.01 -1.14 -0.24 0.00 -0.42 0.00 0.00 57.16 55.34 1qry n GLU 73 Cb 0.42 -1.63 -0.09 0.00 -0.57 0.00 0.00 31.44 29.57 1qry n GLU 73 CO 0.00 0.00 0.00 0.21 -0.48 0.00 0.00 177.13 176.86 1qry s LYS 74 N -1.46 1.83 0.00 3.49 2.47 -0.21 -5.04 119.74 120.83 1qry s LYS 74 Ca 0.21 -2.09 0.00 0.00 -1.56 0.00 0.00 55.97 52.52 1qry s LYS 74 Cb 0.16 -0.68 0.00 0.00 -1.46 0.00 0.00 37.83 35.85 1qry s LYS 74 CO 0.05 -0.39 0.00 0.41 0.16 0.00 0.00 175.35 175.58 1qry n GLY 75 N -0.84 -0.27 0.00 5.54 0.00 -1.26 -5.00 105.19 103.36 1qry n GLY 75 Ca -0.05 -0.02 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 -2.09 0.00 -0.41 1.61 4.02 -1.26 -5.05 117.16 113.98 1qry n TYR 76 Ca 0.00 0.00 -0.06 0.00 -0.01 0.00 0.00 57.90 57.83 1qry n TYR 76 Cb 0.00 0.00 0.06 0.00 -0.02 0.00 0.00 39.34 39.38 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 0.00 -1.88 0.00 -0.72 4.71 -1.26 -5.00 120.64 116.49 1qry n GLU 77 Ca 0.00 -0.35 0.00 0.00 -0.01 0.00 0.00 57.16 56.80 1qry n GLU 77 Cb 0.00 -0.36 0.00 0.00 -1.01 0.00 0.00 31.44 30.07 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 0.16 0.00 2.85 0.62 0.00 -1.26 -4.97 105.19 102.59 1qry n GLY 78 Ca 0.03 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.75 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 2.43 -2.91 1.61 3.76 -1.26 -5.05 115.29 113.87 1qry s HIS 79 Ca 0.00 -2.13 0.25 0.00 -0.15 0.00 0.00 55.06 53.03 1qry s HIS 79 Cb 0.00 -2.08 0.35 0.00 1.11 0.00 0.00 32.58 31.96 1qry s HIS 79 CO 0.00 -0.88 1.35 -0.35 -0.85 0.00 0.00 174.74 174.01