#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2uua s ARG 3 N 0.00 2.59 0.18 0.54 0.52 -1.26 -5.15 118.95 116.37 2uua s ARG 3 Ca 0.00 -1.45 -0.17 0.00 -0.52 0.00 0.00 55.73 53.58 2uua s ARG 3 Cb 0.00 -2.63 0.03 0.00 0.52 0.00 0.00 34.95 32.87 2uua s ARG 3 CO 0.00 -0.46 0.50 0.45 0.02 0.00 0.00 175.30 175.81 2uua s SER 4 N -4.41 -0.26 0.10 0.23 0.15 -1.26 -5.03 113.70 103.22 2uua s SER 4 Ca 0.55 -0.43 0.00 0.00 0.70 0.00 0.00 55.95 56.76 2uua s SER 4 Cb -0.07 0.55 0.00 0.00 -1.71 0.00 0.00 66.02 64.79 2uua s SER 4 CO 0.33 -1.00 0.00 0.18 1.20 0.00 0.00 173.24 173.95 2uua n LEU 5 N -0.32 -0.87 0.00 3.45 4.77 -1.26 -5.14 117.00 117.64 2uua n LEU 5 Ca -0.11 0.36 0.00 0.00 -0.03 0.00 0.00 56.01 56.23 2uua n LEU 5 Cb 0.63 1.06 0.00 0.00 -2.33 0.00 0.00 43.42 42.78 2uua n LEU 5 CO 0.17 -0.01 0.00 1.17 -1.33 0.00 0.00 177.39 177.39 2uua n LYS 6 N -2.58 0.00 -3.15 3.23 4.81 -1.26 -4.92 118.16 114.29 2uua n LYS 6 Ca 0.00 0.00 0.04 0.00 -0.87 0.00 0.00 58.31 57.48 2uua n LYS 6 Cb 0.00 0.00 -0.00 0.00 0.02 0.00 0.00 35.03 35.05 2uua n LYS 6 CO 0.00 0.00 0.00 -1.59 1.17 0.00 0.00 177.40 176.98 2uua s LYS 7 N 0.00 0.49 0.00 1.64 -2.85 -1.26 -4.97 119.74 112.79 2uua s LYS 7 Ca 0.00 0.51 0.00 0.00 -1.00 0.00 0.00 55.97 55.48 2uua s LYS 7 Cb 0.00 0.24 0.00 0.00 -2.06 0.00 0.00 37.83 36.01 2uua s LYS 7 CO 0.00 -0.89 0.00 0.41 0.10 0.00 0.00 175.35 174.97 2uua n GLY 8 N 5.37 0.34 3.50 0.59 0.00 -1.26 -5.03 105.19 108.71 2uua n GLY 8 Ca 0.05 -0.19 -0.29 0.00 0.00 0.00 0.00 46.02 45.59 2uua n GLY 8 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2uua n VAL 9 N 0.00 -0.00 -1.73 1.61 0.31 -1.26 -4.80 118.33 112.46 2uua n VAL 9 Ca 0.00 -0.31 -0.42 0.00 -0.01 0.00 0.00 64.34 63.60 2uua n VAL 9 Cb 0.00 -0.34 -0.02 0.00 -0.91 0.00 0.00 33.84 32.57 2uua n VAL 9 CO 0.00 0.00 0.00 0.49 -1.32 0.00 0.00 176.83 176.00 2uua n PHE 10 N 8.20 2.80 -3.71 3.52 3.72 -1.26 -4.88 117.46 125.85 2uua n PHE 10 Ca 0.66 0.20 -0.12 0.00 -0.05 0.00 0.00 57.45 58.14 2uua n PHE 10 Cb 0.12 -2.61 -0.10 0.00 -0.94 0.00 0.00 39.48 35.94 2uua n PHE 10 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 176.76 176.79 2uua s VAL 11 N 0.35 -0.01 -0.02 -4.37 1.01 -1.26 -1.79 120.40 114.31 2uua s VAL 11 Ca 0.68 0.05 -0.30 0.00 0.00 0.00 0.00 61.98 62.40 2uua s VAL 11 Cb -0.51 -0.61 -0.04 0.00 0.00 0.00 0.00 36.38 35.22 2uua s VAL 11 CO 0.44 0.02 1.14 -1.81 0.00 0.00 0.00 175.10 174.88 2uua s ASP 12 N 0.84 7.14 0.48 3.32 -0.00 -1.26 -4.93 116.67 122.26 2uua s ASP 12 Ca -0.05 1.81 0.32 0.00 -0.00 0.00 0.00 52.55 54.63 2uua s ASP 12 Cb -0.06 -2.57 1.55 0.00 -0.00 0.00 0.00 42.92 41.85 2uua s ASP 12 CO -0.06 -0.48 1.98 -2.24 -0.00 0.00 0.00 175.17 174.37 2uua h ASP 13 N 7.11 0.00 -0.95 0.27 -0.00 -2.01 -2.89 116.42 117.94 2uua h ASP 13 Ca -0.37 0.00 0.18 0.00 -0.00 0.00 0.00 57.03 56.84 2uua h ASP 13 Cb 1.19 0.00 -0.17 0.00 -0.00 0.00 0.00 39.33 40.34 2uua h ASP 13 CO 0.83 0.00 -0.28 1.41 -0.00 0.00 0.00 179.24 181.20 2uua n HIS 14 N -2.75 0.24 -0.11 4.15 8.25 -1.26 -1.86 115.22 121.89 2uua n HIS 14 Ca -0.00 1.17 -0.16 0.00 -0.26 0.00 0.00 57.72 58.47 2uua n HIS 14 Cb 0.17 -0.99 -0.13 0.00 1.12 0.00 0.00 29.99 30.16 2uua n HIS 14 CO 0.00 0.00 0.00 1.47 0.64 0.00 0.00 176.34 178.45 2uua n LEU 15 N -5.51 2.03 -0.33 2.41 -0.00 -1.20 -3.74 117.00 110.66 2uua n LEU 15 Ca 0.13 -0.06 0.28 0.00 -0.00 0.00 0.00 56.01 56.36 2uua n LEU 15 Cb 0.45 -0.48 0.53 0.00 -0.00 0.00 0.00 43.42 43.91 2uua n LEU 15 CO -0.12 0.79 1.10 0.25 -0.00 0.00 0.00 177.39 179.41 2uua h LEU 16 N 0.00 0.43 0.14 1.47 5.85 -1.21 2.85 115.31 124.84 2uua h LEU 16 Ca -0.55 0.22 -0.21 0.00 0.84 0.00 0.00 57.88 58.17 2uua h LEU 16 Cb 2.01 0.19 0.02 0.00 0.37 0.00 0.00 40.66 43.25 2uua h LEU 16 CO -0.04 -0.26 -0.95 1.05 -0.34 0.00 0.00 178.44 177.90 2uua h GLU 17 N 0.18 0.31 0.00 1.25 4.11 -1.58 -2.93 114.58 115.92 2uua h GLU 17 Ca 0.79 -0.52 -0.00 0.00 0.07 0.00 0.00 59.36 59.69 2uua h GLU 17 Cb 1.95 0.19 -0.00 0.00 0.50 0.00 0.00 28.75 31.39 2uua h GLU 17 CO -0.66 1.25 -0.01 -0.22 0.07 0.00 0.00 179.01 179.44 2uua h LYS 18 N -0.33 0.00 0.05 1.06 3.64 0.78 0.05 116.57 121.81 2uua h LYS 18 Ca -0.17 0.00 -0.17 0.00 -1.27 0.00 0.00 60.65 59.04 2uua h LYS 18 Cb 1.69 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 33.51 2uua h LYS 18 CO 0.15 0.01 -0.87 -0.24 -2.27 0.00 0.00 179.45 176.22 2uua h VAL 19 N 0.00 1.28 -0.18 2.00 3.04 0.45 -3.18 116.25 119.67 2uua h VAL 19 Ca -0.00 -2.34 -0.03 0.00 -1.01 0.00 0.00 66.70 63.32 2uua h VAL 19 Cb 0.15 2.84 -0.01 0.00 -2.01 0.00 0.00 31.29 32.26 2uua h VAL 19 CO 0.00 0.57 -0.01 0.17 -1.01 0.00 0.00 177.57 177.29 2uua h LEU 20 N -0.72 0.31 -0.71 3.16 8.10 -1.30 -2.93 115.31 121.22 2uua h LEU 20 Ca -0.21 -0.32 0.13 0.00 0.11 0.00 0.00 57.88 57.59 2uua h LEU 20 Cb 1.39 -0.08 -0.09 0.00 -0.44 0.00 0.00 40.66 41.43 2uua h LEU 20 CO -0.03 0.56 0.28 -0.33 -4.11 0.00 0.00 178.44 174.81 2uua h GLU 21 N 0.06 0.42 0.00 0.17 5.08 -1.16 0.57 114.58 119.72 2uua h GLU 21 Ca 0.05 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.38 2uua h GLU 21 Cb 0.40 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.56 2uua h GLU 21 CO 0.01 0.28 0.00 1.28 -1.00 0.00 0.00 179.01 179.58 2uua n LEU 22 N -5.00 0.00 -0.07 1.33 4.77 -1.12 -2.13 117.00 114.77 2uua n LEU 22 Ca 0.13 0.00 -0.22 0.00 -0.03 0.00 0.00 56.01 55.88 2uua n LEU 22 Cb 0.37 0.00 -0.12 0.00 -2.33 0.00 0.00 43.42 41.34 2uua n LEU 22 CO 0.19 0.00 -0.70 0.59 -1.33 0.00 0.00 177.39 176.14 2uua n ASN 23 N -0.94 1.95 -0.27 -1.43 3.02 0.20 -3.23 115.26 114.56 2uua n ASN 23 Ca 0.09 0.34 0.07 0.00 -0.03 0.00 0.00 54.58 55.05 2uua n ASN 23 Cb 0.04 -0.91 0.21 0.00 -0.61 0.00 0.00 39.78 38.51 2uua n ASN 23 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2uua h ALA 24 N -0.35 1.11 -3.00 5.41 0.00 -1.30 -3.35 119.26 117.78 2uua h ALA 24 Ca -0.41 0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.65 2uua h ALA 24 Cb 1.56 0.14 0.00 0.00 0.00 0.00 0.00 17.79 19.50 2uua h ALA 24 CO -0.13 -0.27 0.00 1.63 0.00 0.00 0.00 179.25 180.47 2uua n LYS 25 N -5.06 0.00 0.00 0.00 5.02 -1.20 -5.10 118.16 111.82 2uua n LYS 25 Ca 0.16 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.45 2uua n LYS 25 Cb 0.48 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.49 2uua n LYS 25 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2uua n GLY 26 N 3.76 2.84 2.49 0.72 0.00 -1.20 -5.09 105.19 108.71 2uua n GLY 26 Ca 0.00 -0.27 -0.20 0.00 0.00 0.00 0.00 46.02 45.55 2uua n GLY 26 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2uua n GLU 27 N 0.00 0.34 -1.56 1.61 -0.58 -1.25 -4.22 120.64 114.98 2uua n GLU 27 Ca 0.00 -2.82 -0.13 0.00 -0.42 0.00 0.00 57.16 53.78 2uua n GLU 27 Cb 0.00 -1.57 -0.08 0.00 -0.57 0.00 0.00 31.44 29.22 2uua n GLU 27 CO 0.00 0.00 0.00 1.17 -0.48 0.00 0.00 177.13 177.82 2uua n LYS 28 N 2.71 0.52 0.00 3.49 4.81 -1.26 -4.89 118.16 123.54 2uua n LYS 28 Ca 0.25 -0.88 0.00 0.00 -0.87 0.00 0.00 58.31 56.81 2uua n LYS 28 Cb 0.51 -3.65 0.00 0.00 0.02 0.00 0.00 35.03 31.91 2uua n LYS 28 CO 0.00 0.00 0.00 -2.13 1.17 0.00 0.00 177.40 176.44 2uua n ARG 29 N 8.70 0.00 -1.17 1.64 0.63 -1.26 -4.54 116.66 120.67 2uua n ARG 29 Ca 0.47 0.00 -0.33 0.00 -0.92 0.00 0.00 57.85 57.07 2uua n ARG 29 Cb 0.43 0.00 0.12 0.00 0.45 0.00 0.00 32.46 33.45 2uua n ARG 29 CO 0.00 0.00 0.00 -0.51 -2.51 0.00 0.00 177.63 174.61 2uua s LEU 30 N 0.00 3.15 -0.35 6.15 1.43 -1.25 -4.05 118.68 123.76 2uua s LEU 30 Ca 0.00 2.31 0.01 0.00 -1.03 0.00 0.00 54.13 55.41 2uua s LEU 30 Cb 0.00 -4.58 0.14 0.00 0.03 0.00 0.00 46.19 41.78 2uua s LEU 30 CO 0.00 -2.56 0.27 -0.63 0.23 0.00 0.00 176.35 173.65 2uua s ILE 31 N -2.21 -0.06 -0.16 -0.59 -1.09 -1.17 -4.90 121.20 111.02 2uua s ILE 31 Ca 0.72 -1.36 -0.29 0.00 -2.23 0.00 0.00 60.65 57.48 2uua s ILE 31 Cb -0.27 -0.95 -0.06 0.00 -1.58 0.00 0.00 42.46 39.60 2uua s ILE 31 CO 0.50 -0.82 2.16 0.29 -1.23 0.00 0.00 174.94 175.84 2uua n LYS 32 N 4.22 2.15 -4.13 2.79 4.76 -1.26 -2.27 118.16 124.43 2uua n LYS 32 Ca 0.10 0.66 -0.13 0.00 -2.87 0.00 0.00 58.31 56.06 2uua n LYS 32 Cb 0.40 -3.14 -0.11 0.00 -1.84 0.00 0.00 35.03 30.35 2uua n LYS 32 CO 0.00 0.00 0.00 0.99 -1.37 0.00 0.00 177.40 177.02 2uua s THR 33 N 7.25 0.74 -0.06 -0.18 2.01 -1.00 -5.00 115.64 119.40 2uua s THR 33 Ca 0.98 -1.43 0.01 0.00 0.31 0.00 0.00 61.69 61.56 2uua s THR 33 Cb -0.39 -1.07 -0.00 0.00 0.01 0.00 0.00 72.50 71.04 2uua s THR 33 CO 0.38 -0.51 0.22 0.79 -0.69 0.00 0.00 174.62 174.81 2uua n TRP 34 N 0.90 0.00 -2.78 4.92 8.01 -1.26 -2.95 117.44 124.27 2uua n TRP 34 Ca -0.19 0.00 -0.43 0.00 -1.31 0.00 0.00 57.50 55.58 2uua n TRP 34 Cb 0.57 0.00 -0.04 0.00 -2.01 0.00 0.00 31.31 29.83 2uua n TRP 34 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.69 177.13 2uua s SER 35 N -0.67 6.21 -0.15 -0.99 0.15 -1.26 -4.81 113.70 112.17 2uua s SER 35 Ca 0.01 -0.73 -0.24 0.00 0.70 0.00 0.00 55.95 55.68 2uua s SER 35 Cb 0.01 -2.46 -0.24 0.00 -1.71 0.00 0.00 66.02 61.62 2uua s SER 35 CO 0.02 -1.49 0.55 0.03 1.20 0.00 0.00 173.24 173.55 2uua h ARG 36 N 9.62 0.05 -1.25 5.44 3.08 -1.93 -3.35 114.38 126.05 2uua h ARG 36 Ca -0.28 -0.09 0.36 0.00 0.07 0.00 0.00 59.98 60.04 2uua h ARG 36 Cb 1.07 0.03 -0.06 0.00 0.08 0.00 0.00 29.97 31.09 2uua h ARG 36 CO 1.19 1.04 0.89 0.07 -1.07 0.00 0.00 179.97 182.09 2uua h ARG 37 N -0.86 0.03 -6.28 0.04 0.11 -1.98 -2.94 114.38 102.50 2uua h ARG 37 Ca -0.18 -0.00 -0.60 0.00 0.10 0.00 0.00 59.98 59.30 2uua h ARG 37 Cb 1.26 -0.01 0.02 0.00 1.11 0.00 0.00 29.97 32.35 2uua h ARG 37 CO -0.06 0.02 1.14 -1.13 0.10 0.00 0.00 179.97 180.05 2uua n SER 38 N -4.21 3.58 -4.77 0.08 3.41 -1.26 -4.80 113.62 105.65 2uua n SER 38 Ca 0.27 0.93 -0.41 0.00 -0.26 0.00 0.00 58.87 59.41 2uua n SER 38 Cb 1.29 -1.40 -0.01 0.00 -0.26 0.00 0.00 64.21 63.82 2uua n SER 38 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 2uua s THR 39 N 4.33 2.47 -0.09 6.66 2.01 -0.74 -3.43 115.64 126.86 2uua s THR 39 Ca 0.93 0.47 -0.30 0.00 0.31 0.00 0.00 61.69 63.10 2uua s THR 39 Cb -0.64 -3.30 -0.02 0.00 0.01 0.00 0.00 72.50 68.55 2uua s THR 39 CO 0.49 0.11 1.14 -0.63 -0.69 0.00 0.00 174.62 175.04 2uua s ILE 40 N -1.10 4.44 0.16 1.82 1.01 -0.73 -4.83 121.20 121.97 2uua s ILE 40 Ca 0.51 1.75 0.11 0.00 0.00 0.00 0.00 60.65 63.01 2uua s ILE 40 Cb -0.42 -4.12 -0.04 0.00 0.01 0.00 0.00 42.46 37.88 2uua s ILE 40 CO 0.56 -0.02 -0.25 0.68 0.00 0.00 0.00 174.94 175.91 2uua s VAL 41 N 2.31 2.33 0.04 2.92 -7.23 -1.26 -4.18 120.40 115.33 2uua s VAL 41 Ca 0.53 -1.89 -0.08 0.00 -1.81 0.00 0.00 61.98 58.73 2uua s VAL 41 Cb -0.22 -2.08 -0.02 0.00 0.56 0.00 0.00 36.38 34.63 2uua s VAL 41 CO 0.19 -0.01 0.42 -2.65 -0.31 0.00 0.00 175.10 172.74 2uua n PRO 42 N 0.58 -0.12 0.00 4.82 -0.02 -1.26 -1.14 135.00 137.86 2uua n PRO 42 Ca -0.15 0.41 0.00 0.00 -2.02 0.00 0.00 63.50 61.74 2uua n PRO 42 Cb 0.54 -0.61 0.00 0.00 -0.02 0.00 0.00 33.50 33.41 2uua n PRO 42 CO 0.00 0.00 0.00 -0.85 1.98 0.00 0.00 175.50 176.63 2uua n GLU 43 N -4.22 0.00 -0.04 -0.52 0.00 -1.26 -0.84 120.64 113.76 2uua n GLU 43 Ca 0.01 0.00 -0.03 0.00 0.00 0.00 0.00 57.16 57.13 2uua n GLU 43 Cb 0.07 -0.99 -0.07 0.00 0.00 0.00 0.00 31.44 30.45 2uua n GLU 43 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.13 175.80 2uua n MET 44 N -0.33 2.29 -1.55 3.44 2.81 -0.29 -4.82 117.12 118.67 2uua n MET 44 Ca 0.00 -0.01 -0.55 0.00 -1.81 0.00 0.00 57.70 55.32 2uua n MET 44 Cb 0.00 -1.22 -0.07 0.00 -0.71 0.00 0.00 33.22 31.22 2uua n MET 44 CO 0.00 0.00 0.00 0.28 1.51 0.00 0.00 175.97 177.76 2uua n VAL 45 N -2.26 0.03 0.00 2.03 0.31 -0.02 -0.07 118.33 118.35 2uua n VAL 45 Ca -0.13 -0.01 0.00 0.00 -0.01 0.00 0.00 64.34 64.20 2uua n VAL 45 Cb 0.71 -0.45 0.00 0.00 -0.91 0.00 0.00 33.84 33.20 2uua n VAL 45 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2uua n GLY 46 N 2.05 3.20 3.42 2.92 0.00 -0.81 -5.05 105.19 110.92 2uua n GLY 46 Ca 0.19 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.95 2uua n GLY 46 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2uua n HIS 47 N -1.04 -3.93 -3.45 1.61 8.25 0.90 -4.92 115.22 112.64 2uua n HIS 47 Ca 0.00 -1.08 -0.29 0.00 -0.26 0.00 0.00 57.72 56.10 2uua n HIS 47 Cb 0.00 -0.89 -0.12 0.00 1.12 0.00 0.00 29.99 30.10 2uua n HIS 47 CO 0.00 0.00 0.00 0.99 0.64 0.00 0.00 176.34 177.97 2uua s THR 48 N -3.51 0.13 -0.35 1.59 2.01 -1.26 -2.99 115.64 111.26 2uua s THR 48 Ca 0.66 -1.74 -0.22 0.00 0.31 0.00 0.00 61.69 60.70 2uua s THR 48 Cb -0.02 -1.11 0.01 0.00 0.01 0.00 0.00 72.50 71.39 2uua s THR 48 CO 0.46 -0.99 0.73 -0.63 -0.69 0.00 0.00 174.62 173.50 2uua s ILE 49 N 1.03 4.80 -0.39 1.82 1.01 -1.23 -3.01 121.20 125.22 2uua s ILE 49 Ca 0.19 0.83 -0.29 0.00 0.00 0.00 0.00 60.65 61.38 2uua s ILE 49 Cb -0.21 -4.15 0.01 0.00 0.01 0.00 0.00 42.46 38.12 2uua s ILE 49 CO -0.00 -0.36 1.36 0.00 0.00 0.00 0.00 174.94 175.94 2uua s ALA 50 N 2.94 3.14 -0.15 9.38 0.00 -0.96 -1.79 121.76 134.32 2uua s ALA 50 Ca 0.29 -0.12 -0.12 0.00 0.00 0.00 0.00 51.96 52.02 2uua s ALA 50 Cb -0.14 -3.89 -0.05 0.00 0.00 0.00 0.00 23.12 19.04 2uua s ALA 50 CO 0.15 -2.22 0.24 0.08 0.00 0.00 0.00 175.76 174.02 2uua s VAL 51 N 5.07 5.34 0.40 0.00 1.01 0.42 -2.37 120.40 130.26 2uua s VAL 51 Ca 0.59 0.44 -0.23 0.00 0.00 0.00 0.00 61.98 62.78 2uua s VAL 51 Cb -0.14 -3.56 -0.10 0.00 0.00 0.00 0.00 36.38 32.58 2uua s VAL 51 CO 0.30 0.46 1.00 -0.47 0.00 0.00 0.00 175.10 176.38 2uua s TYR 52 N 0.04 3.34 -0.02 5.22 5.04 -1.15 0.21 117.35 130.02 2uua s TYR 52 Ca 0.15 1.66 0.00 0.00 -2.44 0.00 0.00 57.07 56.44 2uua s TYR 52 Cb -0.13 -2.99 0.00 0.00 0.35 0.00 0.00 41.96 39.19 2uua s TYR 52 CO 0.03 -0.32 0.60 0.27 -1.34 0.00 0.00 175.55 174.80 2uua n ASN 53 N -0.22 1.21 0.00 4.32 0.23 0.04 -4.87 115.26 115.97 2uua n ASN 53 Ca 0.05 -1.20 0.00 0.00 -0.53 0.00 0.00 54.58 52.91 2uua n ASN 53 Cb 0.51 -0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.21 2uua n ASN 53 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2uua n GLY 54 N -0.08 1.76 0.00 4.83 0.00 -1.26 -4.64 105.19 105.79 2uua n GLY 54 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2uua n GLY 54 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2uua n LYS 55 N 0.00 2.50 -4.01 1.61 4.81 -1.26 -5.12 118.16 116.69 2uua n LYS 55 Ca 0.00 0.00 -0.10 0.00 -0.87 0.00 0.00 58.31 57.34 2uua n LYS 55 Cb 0.00 -0.69 -0.08 0.00 0.02 0.00 0.00 35.03 34.28 2uua n LYS 55 CO 0.00 0.00 0.00 -0.65 1.17 0.00 0.00 177.40 177.92 2uua s GLN 56 N -1.10 1.16 -0.40 1.64 -0.21 -1.26 -5.12 119.66 114.36 2uua s GLN 56 Ca 0.00 -1.26 -0.11 0.00 0.02 0.00 0.00 55.36 54.01 2uua s GLN 56 Cb 0.00 0.35 0.04 0.00 1.00 0.00 0.00 33.01 34.41 2uua s GLN 56 CO 0.00 -0.41 0.24 -1.01 -2.12 0.00 0.00 175.29 171.99 2uua s HIS 57 N -4.00 3.26 -0.19 0.91 3.76 -1.26 -0.78 115.29 117.00 2uua s HIS 57 Ca 0.21 -1.07 -0.11 0.00 -0.15 0.00 0.00 55.06 53.93 2uua s HIS 57 Cb 0.04 -2.62 -0.05 0.00 1.11 0.00 0.00 32.58 31.06 2uua s HIS 57 CO 0.02 -0.71 0.19 0.14 -0.85 0.00 0.00 174.74 173.53 2uua s VAL 58 N 1.54 5.37 -0.14 -0.90 -7.23 0.57 -4.70 120.40 114.91 2uua s VAL 58 Ca 0.02 0.31 -0.29 0.00 -1.81 0.00 0.00 61.98 60.21 2uua s VAL 58 Cb -0.20 -3.53 -0.04 0.00 0.56 0.00 0.00 36.38 33.17 2uua s VAL 58 CO 0.06 0.41 1.62 -2.16 -0.31 0.00 0.00 175.10 174.72 2uua s PRO 59 N 0.45 4.00 -0.44 4.82 0.04 -1.26 0.16 135.00 142.77 2uua s PRO 59 Ca 0.11 1.92 -0.01 0.00 0.04 0.00 0.00 61.00 63.06 2uua s PRO 59 Cb -0.12 -4.00 0.12 0.00 0.04 0.00 0.00 34.50 30.55 2uua s PRO 59 CO 0.00 -1.05 0.22 0.08 0.04 0.00 0.00 177.00 176.29 2uua s VAL 60 N 4.57 3.07 -0.16 -0.36 1.01 -0.74 -4.93 120.40 122.87 2uua s VAL 60 Ca 0.71 -2.42 -0.29 0.00 0.00 0.00 0.00 61.98 59.99 2uua s VAL 60 Cb -0.29 -3.12 -0.05 0.00 0.00 0.00 0.00 36.38 32.93 2uua s VAL 60 CO 0.28 -0.72 1.93 -0.47 0.00 0.00 0.00 175.10 176.13 2uua s TYR 61 N 0.72 1.54 -0.39 5.22 5.04 -1.26 -3.50 117.35 124.71 2uua s TYR 61 Ca 0.11 0.28 -0.26 0.00 -2.44 0.00 0.00 57.07 54.77 2uua s TYR 61 Cb -0.22 -4.04 0.02 0.00 0.35 0.00 0.00 41.96 38.07 2uua s TYR 61 CO -0.04 -4.04 0.93 -1.50 -1.34 0.00 0.00 175.55 169.56 2uua s ILE 62 N 6.21 4.55 0.45 3.14 2.07 -1.16 -5.04 121.20 131.42 2uua s ILE 62 Ca 0.87 1.09 0.02 0.00 -1.41 0.00 0.00 60.65 61.22 2uua s ILE 62 Cb -0.32 -4.36 0.09 0.00 0.13 0.00 0.00 42.46 37.99 2uua s ILE 62 CO 0.35 -0.62 0.63 0.35 -1.91 0.00 0.00 174.94 173.73 2uua n THR 63 N 6.10 0.00 0.30 4.00 -2.24 -1.26 -1.92 114.28 119.26 2uua n THR 63 Ca 0.07 -1.16 -0.12 0.00 -2.27 0.00 0.00 64.05 60.57 2uua n THR 63 Cb 0.48 -0.91 -0.06 0.00 -2.10 0.00 0.00 70.33 67.75 2uua n THR 63 CO 0.00 0.00 0.00 -0.08 -0.57 0.00 0.00 175.07 174.42 2uua h GLU 64 N 0.00 -0.74 0.00 -0.78 4.57 -1.98 -3.10 114.58 112.55 2uua h GLU 64 Ca -0.21 0.05 0.00 0.00 -1.18 0.00 0.00 59.36 58.02 2uua h GLU 64 Cb 0.83 0.17 0.00 0.00 -0.16 0.00 0.00 28.75 29.59 2uua h GLU 64 CO 0.25 -0.50 0.13 0.27 -1.18 0.00 0.00 179.01 177.99 2uua n ASN 65 N -4.26 0.06 0.04 1.04 0.23 -1.26 -1.23 115.26 109.87 2uua n ASN 65 Ca -0.10 0.41 0.13 0.00 -0.53 0.00 0.00 54.58 54.50 2uua n ASN 65 Cb 0.30 -0.41 0.37 0.00 -2.08 0.00 0.00 39.78 37.97 2uua n ASN 65 CO 0.00 0.00 0.00 0.23 -0.93 0.00 0.00 177.26 176.56 2uua n MET 66 N -1.49 0.13 -0.06 -3.83 2.81 -1.17 -4.60 117.12 108.92 2uua n MET 66 Ca -0.00 0.07 -0.01 0.00 -1.81 0.00 0.00 57.70 55.94 2uua n MET 66 Cb 0.14 -1.61 -0.01 0.00 -0.71 0.00 0.00 33.22 31.02 2uua n MET 66 CO 0.00 0.00 0.00 0.28 1.51 0.00 0.00 175.97 177.76 2uua n VAL 67 N -1.82 -0.09 -0.24 2.03 0.31 -0.37 -1.99 118.33 116.16 2uua n VAL 67 Ca 0.05 1.14 0.05 0.00 -0.01 0.00 0.00 64.34 65.57 2uua n VAL 67 Cb 0.38 -1.48 0.30 0.00 -0.91 0.00 0.00 33.84 32.13 2uua n VAL 67 CO 0.00 0.00 0.00 1.23 -1.32 0.00 0.00 176.83 176.74 2uua h GLY 68 N 0.00 1.13 -1.35 2.92 0.00 -1.81 -3.31 103.07 100.64 2uua h GLY 68 Ca 0.02 -0.36 -0.52 0.00 0.00 0.00 0.00 47.33 46.47 2uua h GLY 68 CO -0.13 0.27 0.25 0.30 0.00 0.00 0.00 176.54 177.23 2uua s HIS 69 N -5.79 1.70 0.85 5.60 3.76 -0.84 -4.47 115.29 116.10 2uua s HIS 69 Ca -0.11 1.76 -0.11 0.00 -0.15 0.00 0.00 55.06 56.46 2uua s HIS 69 Cb 0.19 -3.36 0.15 0.00 1.11 0.00 0.00 32.58 30.67 2uua s HIS 69 CO 0.78 -2.78 1.19 0.15 -0.85 0.00 0.00 174.74 173.24 2uua s LYS 70 N -4.54 1.27 -0.07 1.40 3.01 -1.26 -1.78 119.74 117.77 2uua s LYS 70 Ca 0.68 -0.47 -0.24 0.00 -1.01 0.00 0.00 55.97 54.93 2uua s LYS 70 Cb -0.24 -2.01 -0.26 0.00 -1.01 0.00 0.00 37.83 34.31 2uua s LYS 70 CO 0.56 -1.92 0.95 -0.07 0.51 0.00 0.00 175.35 175.37 2uua h LEU 71 N -1.17 0.26 -2.06 3.17 3.38 -1.54 -3.28 115.31 114.07 2uua h LEU 71 Ca -0.43 -0.87 0.07 0.00 0.09 0.00 0.00 57.88 56.74 2uua h LEU 71 Cb 1.27 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.93 2uua h LEU 71 CO 0.46 1.10 0.35 1.23 0.09 0.00 0.00 178.44 181.67 2uua h GLY 72 N -0.55 0.00 2.00 0.83 0.00 -1.88 -0.55 103.07 102.91 2uua h GLY 72 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.28 2uua h GLY 72 CO 0.07 0.00 0.00 0.83 0.00 0.00 0.00 176.54 177.44 2uua h GLU 73 N 0.00 0.00 -0.11 4.80 5.08 -1.91 -1.86 114.58 120.58 2uua h GLU 73 Ca 0.11 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.47 2uua h GLU 73 Cb 0.81 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.06 2uua h GLU 73 CO -0.00 0.00 0.00 1.19 -1.00 0.00 0.00 179.01 179.20 2uua n PHE 74 N -2.37 0.14 -3.68 4.33 3.01 -0.22 -4.75 117.46 113.91 2uua n PHE 74 Ca -0.01 -0.16 -0.28 0.00 1.01 0.00 0.00 57.45 58.00 2uua n PHE 74 Cb 0.07 -0.01 -0.12 0.00 -0.01 0.00 0.00 39.48 39.41 2uua n PHE 74 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 2uua s ALA 75 N -0.89 2.48 0.26 4.37 0.00 -0.70 -4.95 121.76 122.33 2uua s ALA 75 Ca 0.15 -2.96 -0.31 0.00 0.00 0.00 0.00 51.96 48.84 2uua s ALA 75 Cb 0.09 -1.90 -0.11 0.00 0.00 0.00 0.00 23.12 21.20 2uua s ALA 75 CO 0.13 -2.05 1.61 -1.25 0.00 0.00 0.00 175.76 174.20 2uua s PRO 76 N -0.31 4.14 0.32 0.00 0.04 -1.26 -4.81 135.00 133.11 2uua s PRO 76 Ca 0.24 2.55 0.16 0.00 0.04 0.00 0.00 61.00 64.00 2uua s PRO 76 Cb -0.10 -3.05 0.35 0.00 0.04 0.00 0.00 34.50 31.74 2uua s PRO 76 CO -0.11 -0.64 1.58 1.79 0.04 0.00 0.00 177.00 179.65 2uua h THR 77 N 3.54 0.93 -1.76 1.26 1.35 -1.89 -3.47 112.91 112.86 2uua h THR 77 Ca -0.46 -1.95 -0.51 0.00 -0.55 0.00 0.00 66.41 62.94 2uua h THR 77 Cb 1.21 2.21 -0.05 0.00 -1.73 0.00 0.00 68.15 69.79 2uua h THR 77 CO 0.84 0.46 -0.46 -0.13 -0.25 0.00 0.00 175.52 175.98 2uua s ARG 78 N -3.26 2.55 -0.13 4.72 0.52 -1.26 -4.96 118.95 117.13 2uua s ARG 78 Ca 0.02 -1.46 0.02 0.00 -0.52 0.00 0.00 55.73 53.79 2uua s ARG 78 Cb 0.09 -2.34 0.01 0.00 0.52 0.00 0.00 34.95 33.24 2uua s ARG 78 CO 0.72 0.02 -0.19 0.99 0.02 0.00 0.00 175.30 176.86 2uua s THR 79 N -2.40 1.81 0.09 0.02 2.01 -1.26 -5.14 115.64 110.78 2uua s THR 79 Ca 0.42 -0.83 0.09 0.00 0.31 0.00 0.00 61.69 61.68 2uua s THR 79 Cb -0.04 -1.63 -0.03 0.00 0.01 0.00 0.00 72.50 70.81 2uua s THR 79 CO 0.26 0.50 -0.24 -0.47 -0.69 0.00 0.00 174.62 173.98 2uua s TYR 80 N 0.93 2.04 0.00 4.92 5.04 -1.26 -5.00 117.35 124.02 2uua s TYR 80 Ca -0.06 -0.40 0.00 0.00 -2.44 0.00 0.00 57.07 54.17 2uua s TYR 80 Cb -0.15 -1.14 0.00 0.00 0.35 0.00 0.00 41.96 41.02 2uua s TYR 80 CO -0.03 0.22 0.00 -2.13 -1.34 0.00 0.00 175.55 172.28 2uua n ARG 81 N 1.24 0.00 0.00 4.97 0.63 -1.26 -5.34 116.66 116.90 2uua n ARG 81 Ca -0.18 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.75 2uua n ARG 81 Cb 0.53 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.44 2uua n ARG 81 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53