#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3g6e s ARG 8 N 0.00 1.44 -0.25 5.31 1.70 -0.94 -5.02 118.95 121.20 3g6e s ARG 8 Ca 0.00 -0.66 -0.09 0.00 -0.47 0.00 0.00 55.73 54.51 3g6e s ARG 8 Cb 0.00 0.58 -0.04 0.00 -0.57 0.00 0.00 34.95 34.92 3g6e s ARG 8 CO 0.00 -0.65 0.12 0.08 -1.08 0.00 0.00 175.30 173.77 3g6e s VAL 9 N -3.77 4.82 0.10 4.99 1.01 -1.26 -2.03 120.40 124.27 3g6e s VAL 9 Ca 0.05 -0.00 0.10 0.00 0.00 0.00 0.00 61.98 62.13 3g6e s VAL 9 Cb -0.03 -3.25 -0.04 0.00 0.00 0.00 0.00 36.38 33.06 3g6e s VAL 9 CO -0.05 0.33 -0.27 -0.69 0.00 0.00 0.00 175.10 174.43 3g6e s VAL 10 N 1.37 2.20 -0.35 2.92 1.01 0.30 -4.96 120.40 122.88 3g6e s VAL 10 Ca 0.06 -1.63 -0.10 0.00 0.00 0.00 0.00 61.98 60.31 3g6e s VAL 10 Cb -0.15 -1.92 0.02 0.00 0.00 0.00 0.00 36.38 34.33 3g6e s VAL 10 CO 0.05 0.17 0.17 -0.89 0.00 0.00 0.00 175.10 174.61 3g6e s THR 11 N -0.98 4.38 -0.29 3.92 2.01 -1.26 -0.13 115.64 123.28 3g6e s THR 11 Ca 0.13 -0.85 -0.20 0.00 0.31 0.00 0.00 61.69 61.08 3g6e s THR 11 Cb -0.10 -3.41 -0.01 0.00 0.01 0.00 0.00 72.50 68.99 3g6e s THR 11 CO 0.05 -0.16 0.61 -0.63 -0.69 0.00 0.00 174.62 173.79 3g6e s ILE 12 N 1.53 4.97 -0.07 1.82 -1.09 -0.29 -4.93 121.20 123.14 3g6e s ILE 12 Ca 0.02 0.87 -0.29 0.00 -2.23 0.00 0.00 60.65 59.02 3g6e s ILE 12 Cb -0.19 -3.96 -0.02 0.00 -1.58 0.00 0.00 42.46 36.71 3g6e s ILE 12 CO 0.06 -0.09 0.95 -2.16 -1.23 0.00 0.00 174.94 172.46 3g6e s PRO 13 N 2.54 4.46 -0.40 2.79 0.04 -1.26 -2.33 135.00 140.84 3g6e s PRO 13 Ca 0.24 1.31 0.05 0.00 0.04 0.00 0.00 61.00 62.65 3g6e s PRO 13 Cb -0.15 -3.51 0.48 0.00 0.04 0.00 0.00 34.50 31.36 3g6e s PRO 13 CO 0.11 -0.18 1.53 1.28 0.04 0.00 0.00 177.00 179.78 3g6e n LEU 14 N 4.50 5.48 0.11 -3.56 4.77 0.90 -4.68 117.00 124.51 3g6e n LEU 14 Ca 0.06 -4.27 0.13 0.00 -0.03 0.00 0.00 56.01 51.90 3g6e n LEU 14 Cb 0.50 -0.63 0.29 0.00 -2.33 0.00 0.00 43.42 41.25 3g6e n LEU 14 CO 0.51 1.63 0.69 0.08 -1.33 0.00 0.00 177.39 178.97 3g6e h ARG 15 N 1.70 0.00 -0.00 3.23 0.11 -1.91 -3.25 114.38 114.26 3g6e h ARG 15 Ca 0.40 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.48 3g6e h ARG 15 Cb 1.44 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.52 3g6e h ARG 15 CO 0.87 0.00 0.00 -0.25 0.10 0.00 0.00 179.97 180.69 3g6e n ASP 16 N -2.35 0.14 -0.00 0.08 8.00 -1.26 -3.01 116.55 118.13 3g6e n ASP 16 Ca 0.04 -1.10 0.14 0.00 0.71 0.00 0.00 54.79 54.58 3g6e n ASP 16 Cb 0.45 -0.00 0.54 0.00 -0.02 0.00 0.00 41.12 42.09 3g6e n ASP 16 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3g6e n ALA 17 N -0.87 2.63 0.32 2.24 0.00 -1.23 -3.21 120.51 120.39 3g6e n ALA 17 Ca 0.22 -0.16 0.14 0.00 0.00 0.00 0.00 53.44 53.64 3g6e n ALA 17 Cb 0.13 -1.39 0.40 0.00 0.00 0.00 0.00 19.45 18.59 3g6e n ALA 17 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3g6e h ARG 18 N 0.02 0.00 0.00 0.00 3.08 -1.79 -3.00 114.38 112.69 3g6e h ARG 18 Ca 0.00 0.00 -0.12 0.00 0.07 0.00 0.00 59.98 59.93 3g6e h ARG 18 Cb 0.49 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.52 3g6e h ARG 18 CO 0.00 0.00 -0.58 0.00 -1.07 0.00 0.00 179.97 178.32 3g6e h ALA 19 N 2.10 0.96 -2.52 0.04 0.00 -1.79 -3.44 119.26 114.62 3g6e h ALA 19 Ca 0.00 -0.53 -0.53 0.00 0.00 0.00 0.00 54.91 53.86 3g6e h ALA 19 Cb 0.74 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.41 3g6e h ALA 19 CO 0.00 0.72 0.05 -2.00 0.00 0.00 0.00 179.25 178.02 3g6e s GLU 20 N -3.58 4.14 0.28 0.00 2.56 -1.13 -5.01 118.70 115.95 3g6e s GLU 20 Ca -0.01 0.73 -0.28 0.00 0.00 0.00 0.00 54.97 55.41 3g6e s GLU 20 Cb 0.12 -2.83 -0.14 0.00 2.00 0.00 0.00 34.13 33.28 3g6e s GLU 20 CO 0.75 0.38 1.04 -0.35 -0.56 0.00 0.00 175.26 176.53 3g6e n PRO 21 N 0.58 1.39 -0.34 4.30 -0.04 -1.26 -4.80 135.00 134.82 3g6e n PRO 21 Ca -0.02 0.49 0.03 0.00 -0.04 0.00 0.00 63.50 63.96 3g6e n PRO 21 Cb 0.52 -1.88 0.11 0.00 -0.04 0.00 0.00 33.50 32.20 3g6e n PRO 21 CO 0.00 0.00 0.00 -0.91 -0.04 0.00 0.00 175.50 174.55 3g6e h ASN 22 N 2.19 -0.98 0.22 3.54 2.35 -1.89 -1.36 115.58 119.64 3g6e h ASN 22 Ca -0.40 0.28 0.00 0.00 -0.55 0.00 0.00 56.30 55.63 3g6e h ASN 22 Cb 1.34 0.61 0.00 0.00 0.05 0.00 0.00 38.32 40.32 3g6e h ASN 22 CO 0.62 -0.31 0.00 0.00 -1.65 0.00 0.00 177.43 176.09 3g6e n HIS 23 N -5.57 0.00 -0.39 1.19 1.44 -1.26 -2.41 115.22 108.22 3g6e n HIS 23 Ca 0.13 0.00 0.03 0.00 -2.01 0.00 0.00 57.72 55.87 3g6e n HIS 23 Cb 0.45 -0.33 0.04 0.00 0.12 0.00 0.00 29.99 30.28 3g6e n HIS 23 CO 0.00 0.00 0.00 1.63 -2.81 0.00 0.00 176.34 175.16 3g6e n LYS 24 N -1.33 2.32 -0.25 -1.40 5.02 -0.52 -4.47 118.16 117.54 3g6e n LYS 24 Ca 0.04 -1.77 0.13 0.00 -2.02 0.00 0.00 58.31 54.70 3g6e n LYS 24 Cb 0.09 -1.12 0.41 0.00 -0.02 0.00 0.00 35.03 34.39 3g6e n LYS 24 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3g6e h ARG 25 N 0.00 0.61 -0.41 1.97 3.08 -1.11 -2.63 114.38 115.89 3g6e h ARG 25 Ca 0.00 -0.04 -0.07 0.00 0.07 0.00 0.00 59.98 59.94 3g6e h ARG 25 Cb 0.68 -0.14 -0.02 0.00 0.08 0.00 0.00 29.97 30.58 3g6e h ARG 25 CO 0.00 0.40 -0.05 0.00 -1.07 0.00 0.00 179.97 179.25 3g6e h ALA 26 N 1.61 1.15 -0.40 0.04 0.00 -1.46 -1.67 119.26 118.53 3g6e h ALA 26 Ca 0.44 -0.27 -0.05 0.00 0.00 0.00 0.00 54.91 55.03 3g6e h ALA 26 Cb 0.78 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.38 3g6e h ALA 26 CO -0.19 0.54 0.05 -0.44 0.00 0.00 0.00 179.25 179.21 3g6e h ASP 27 N 0.64 0.64 0.75 0.00 3.45 -1.75 -2.51 116.42 117.64 3g6e h ASP 27 Ca 0.12 -0.27 -0.11 0.00 0.43 0.00 0.00 57.03 57.20 3g6e h ASP 27 Cb 0.47 -0.17 -0.02 0.00 -0.56 0.00 0.00 39.33 39.05 3g6e h ASP 27 CO 0.02 0.75 -0.53 0.50 -1.57 0.00 0.00 179.24 178.41 3g6e h LYS 28 N 0.51 0.00 -0.44 3.56 1.63 -1.51 -2.91 116.57 117.42 3g6e h LYS 28 Ca 0.12 0.00 -0.04 0.00 -0.85 0.00 0.00 60.65 59.88 3g6e h LYS 28 Cb 0.40 0.00 -0.02 0.00 -0.60 0.00 0.00 32.23 32.01 3g6e h LYS 28 CO 0.01 0.53 0.12 0.00 -3.45 0.00 0.00 179.45 176.66 3g6e h ALA 29 N 1.47 0.58 0.00 5.00 0.00 -1.10 -0.25 119.26 124.95 3g6e h ALA 29 Ca -0.01 -0.19 -0.03 0.00 0.00 0.00 0.00 54.91 54.69 3g6e h ALA 29 Cb 1.05 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 18.67 3g6e h ALA 29 CO 0.07 0.25 -0.13 1.98 0.00 0.00 0.00 179.25 181.42 3g6e h MET 30 N 0.57 0.00 0.18 0.00 1.85 -1.29 -1.19 114.93 115.05 3g6e h MET 30 Ca 0.14 0.00 -0.33 0.00 -0.61 0.00 0.00 59.70 58.90 3g6e h MET 30 Cb 0.30 0.00 0.01 0.00 0.43 0.00 0.00 31.60 32.34 3g6e h MET 30 CO -0.00 0.13 -1.57 0.82 -0.40 0.00 0.00 176.91 175.89 3g6e h ILE 31 N 0.00 1.15 -0.31 1.77 2.04 -1.25 -3.20 117.51 117.71 3g6e h ILE 31 Ca -0.00 -2.71 -0.07 0.00 1.00 0.00 0.00 64.86 63.08 3g6e h ILE 31 Cb 0.39 2.85 -0.02 0.00 -0.74 0.00 0.00 36.82 39.31 3g6e h ILE 31 CO 0.02 0.84 -0.11 -0.07 0.00 0.00 0.00 178.15 178.82 3g6e h LEU 32 N 0.10 0.51 -0.32 1.44 3.38 -0.18 -1.26 115.31 118.99 3g6e h LEU 32 Ca -0.27 -0.13 -0.04 0.00 0.09 0.00 0.00 57.88 57.52 3g6e h LEU 32 Cb 2.08 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 42.68 3g6e h LEU 32 CO 0.20 0.66 0.03 0.40 0.09 0.00 0.00 178.44 179.82 3g6e h ILE 33 N 0.49 1.25 -0.37 1.22 2.04 -1.36 -1.36 117.51 119.42 3g6e h ILE 33 Ca 0.09 -0.88 -0.08 0.00 1.00 0.00 0.00 64.86 64.99 3g6e h ILE 33 Cb 0.49 1.20 -0.02 0.00 -0.74 0.00 0.00 36.82 37.76 3g6e h ILE 33 CO 0.03 0.29 -0.12 -0.09 0.00 0.00 0.00 178.15 178.26 3g6e h ARG 34 N 0.35 0.65 -0.18 2.37 2.43 -1.47 -2.18 114.38 116.35 3g6e h ARG 34 Ca 0.09 -0.20 -0.18 0.00 -0.81 0.00 0.00 59.98 58.88 3g6e h ARG 34 Cb 0.39 -0.06 -0.00 0.00 -0.42 0.00 0.00 29.97 29.88 3g6e h ARG 34 CO 0.01 0.75 -0.62 0.93 -1.51 0.00 0.00 179.97 179.53 3g6e h GLU 35 N 0.59 0.63 -0.12 0.20 5.08 -1.04 -2.63 114.58 117.31 3g6e h GLU 35 Ca 0.10 -0.44 -0.03 0.00 -1.00 0.00 0.00 59.36 57.99 3g6e h GLU 35 Cb 0.55 0.07 -0.00 0.00 0.50 0.00 0.00 28.75 29.86 3g6e h GLU 35 CO 0.03 1.06 -0.06 1.25 -1.00 0.00 0.00 179.01 180.29 3g6e h HIS 36 N 0.47 0.28 0.00 4.33 2.76 -1.06 -2.33 115.15 119.60 3g6e h HIS 36 Ca -0.01 -0.07 -0.02 0.00 -2.20 0.00 0.00 60.37 58.07 3g6e h HIS 36 Cb 1.20 -0.06 -0.00 0.00 1.55 0.00 0.00 27.41 30.09 3g6e h HIS 36 CO 0.06 0.60 -0.09 -0.07 -1.30 0.00 0.00 177.93 177.13 3g6e h LEU 37 N -0.11 0.00 0.13 0.26 3.38 -1.46 -0.78 115.31 116.74 3g6e h LEU 37 Ca 0.03 0.00 -0.28 0.00 0.09 0.00 0.00 57.88 57.71 3g6e h LEU 37 Cb 0.53 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.28 3g6e h LEU 37 CO 0.02 0.09 -1.31 0.00 0.09 0.00 0.00 178.44 177.32 3g6e h ALA 38 N 1.91 0.11 0.24 1.53 0.00 -1.38 -2.76 119.26 118.90 3g6e h ALA 38 Ca -0.00 -0.93 -0.01 0.00 0.00 0.00 0.00 54.91 53.97 3g6e h ALA 38 Cb 0.54 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.40 3g6e h ALA 38 CO 0.01 0.99 -0.11 -0.22 0.00 0.00 0.00 179.25 179.92 3g6e h LYS 39 N 0.08 -0.31 0.00 0.00 3.64 -1.02 -1.06 116.57 117.90 3g6e h LYS 39 Ca -0.16 0.02 -0.05 0.00 -1.27 0.00 0.00 60.65 59.19 3g6e h LYS 39 Cb 1.99 0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 33.88 3g6e h LYS 39 CO 0.20 -0.05 -0.25 0.45 -2.27 0.00 0.00 179.45 177.53 3g6e h HIS 40 N -1.02 0.00 -0.38 1.91 3.86 -1.31 -2.73 115.15 115.47 3g6e h HIS 40 Ca -0.03 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.18 3g6e h HIS 40 Cb 0.40 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.87 3g6e h HIS 40 CO 0.04 0.25 0.00 1.19 0.86 0.00 0.00 177.93 180.27 3g6e n PHE 41 N -4.07 0.49 -3.71 2.45 3.01 -1.04 -4.99 117.46 109.60 3g6e n PHE 41 Ca -0.02 -0.25 -0.23 0.00 1.01 0.00 0.00 57.45 57.96 3g6e n PHE 41 Cb 0.32 -0.00 0.05 0.00 -0.01 0.00 0.00 39.48 39.83 3g6e n PHE 41 CO 0.00 0.00 0.00 0.43 1.01 0.00 0.00 176.76 178.20 3g6e n SER 42 N 1.49 -2.97 -4.38 4.37 7.64 -1.03 -5.02 113.62 113.72 3g6e n SER 42 Ca 0.19 -0.74 -0.27 0.00 1.01 0.00 0.00 58.87 59.06 3g6e n SER 42 Cb 0.61 -4.29 -0.09 0.00 -1.01 0.00 0.00 64.21 59.43 3g6e n SER 42 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 3g6e s VAL 43 N -3.48 0.94 0.28 0.44 1.01 -0.42 -5.05 120.40 114.13 3g6e s VAL 43 Ca 0.26 -2.00 -0.12 0.00 0.00 0.00 0.00 61.98 60.12 3g6e s VAL 43 Cb -0.13 -2.42 -0.08 0.00 0.00 0.00 0.00 36.38 33.76 3g6e s VAL 43 CO 0.79 0.00 0.64 -1.81 0.00 0.00 0.00 175.10 174.73 3g6e s ASP 44 N -3.67 6.68 0.55 3.32 1.01 -1.26 -4.52 116.67 118.78 3g6e s ASP 44 Ca 0.22 1.08 0.26 0.00 0.71 0.00 0.00 52.55 54.82 3g6e s ASP 44 Cb 0.04 -2.29 1.56 0.00 1.01 0.00 0.00 42.92 43.23 3g6e s ASP 44 CO 0.12 -0.15 2.16 -0.33 0.21 0.00 0.00 175.17 177.17 3g6e h GLU 45 N 2.33 0.00 0.00 8.23 5.08 -1.92 -1.76 114.58 126.54 3g6e h GLU 45 Ca -0.47 0.00 -0.11 0.00 -1.00 0.00 0.00 59.36 57.78 3g6e h GLU 45 Cb 1.17 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.41 3g6e h GLU 45 CO 0.67 0.06 -0.51 -0.44 -1.00 0.00 0.00 179.01 177.79 3g6e h ASP 46 N 0.00 0.00 0.34 1.42 3.32 -1.95 -3.13 116.42 116.42 3g6e h ASP 46 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3g6e h ASP 46 Cb 0.15 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.70 3g6e h ASP 46 CO 0.01 0.51 -0.21 0.00 -1.72 0.00 0.00 179.24 177.84 3g6e n ALA 47 N -2.34 2.96 -2.59 3.45 0.00 -0.67 -4.83 120.51 116.48 3g6e n ALA 47 Ca -0.00 -0.33 -0.42 0.00 0.00 0.00 0.00 53.44 52.69 3g6e n ALA 47 Cb 0.59 -1.23 -0.06 0.00 0.00 0.00 0.00 19.45 18.75 3g6e n ALA 47 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3g6e s VAL 48 N -2.55 4.86 -0.28 0.00 1.01 -1.19 -2.12 120.40 120.13 3g6e s VAL 48 Ca 0.25 0.87 -0.10 0.00 0.00 0.00 0.00 61.98 63.00 3g6e s VAL 48 Cb 0.19 -4.08 -0.03 0.00 0.00 0.00 0.00 36.38 32.46 3g6e s VAL 48 CO 0.52 -0.25 0.15 -0.60 0.00 0.00 0.00 175.10 174.92 3g6e s ARG 49 N 2.78 3.70 -0.28 2.72 3.52 0.65 -4.98 118.95 127.05 3g6e s ARG 49 Ca 0.27 -0.48 -0.12 0.00 -0.13 0.00 0.00 55.73 55.27 3g6e s ARG 49 Cb -0.14 -3.55 -0.05 0.00 -1.56 0.00 0.00 34.95 29.65 3g6e s ARG 49 CO 0.13 -0.25 0.26 -0.51 -0.81 0.00 0.00 175.30 174.12 3g6e s LEU 50 N 1.68 4.03 0.32 -0.88 1.43 -1.26 -0.80 118.68 123.19 3g6e s LEU 50 Ca 0.06 0.11 -0.29 0.00 -1.03 0.00 0.00 54.13 52.98 3g6e s LEU 50 Cb -0.16 -2.24 -0.10 0.00 0.03 0.00 0.00 46.19 43.72 3g6e s LEU 50 CO 0.08 -0.10 1.20 -0.62 0.23 0.00 0.00 176.35 177.14 3g6e s ASP 51 N 1.71 6.96 0.44 2.29 -1.08 0.32 -4.89 116.67 122.43 3g6e s ASP 51 Ca 0.10 2.47 0.07 0.00 -0.52 0.00 0.00 52.55 54.67 3g6e s ASP 51 Cb -0.16 -2.64 0.41 0.00 -1.46 0.00 0.00 42.92 39.07 3g6e s ASP 51 CO 0.11 -0.38 1.10 -0.65 0.52 0.00 0.00 175.17 175.87 3g6e h PRO 52 N 3.49 0.00 -0.63 4.34 0.11 -1.97 -0.60 132.00 136.74 3g6e h PRO 52 Ca -0.48 0.00 -0.05 0.00 0.11 0.00 0.00 66.00 65.58 3g6e h PRO 52 Cb 1.22 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.30 3g6e h PRO 52 CO 0.66 0.00 0.19 0.66 -0.21 0.00 0.00 178.00 179.30 3g6e h SER 53 N 0.00 0.89 -0.32 -2.05 4.64 -1.93 -1.00 113.55 113.78 3g6e h SER 53 Ca 0.00 -0.15 -0.14 0.00 -0.47 0.00 0.00 61.79 61.02 3g6e h SER 53 Cb 1.26 -0.23 -0.00 0.00 -0.31 0.00 0.00 62.40 63.11 3g6e h SER 53 CO 0.00 0.84 -0.36 0.40 -0.87 0.00 0.00 176.83 176.84 3g6e h ILE 54 N 0.93 1.29 -0.11 0.95 2.04 -1.45 -2.09 117.51 119.07 3g6e h ILE 54 Ca 0.21 -1.53 0.00 0.00 1.00 0.00 0.00 64.86 64.54 3g6e h ILE 54 Cb 0.27 1.52 -0.01 0.00 -0.74 0.00 0.00 36.82 37.86 3g6e h ILE 54 CO -0.01 0.50 0.07 -1.13 0.00 0.00 0.00 178.15 177.58 3g6e h ASN 55 N 0.59 0.12 0.58 1.72 -1.24 -1.56 -1.93 115.58 113.87 3g6e h ASN 55 Ca 0.05 -0.00 -0.05 0.00 0.71 0.00 0.00 56.30 57.00 3g6e h ASN 55 Cb 0.94 -0.03 -0.01 0.00 0.73 0.00 0.00 38.32 39.96 3g6e h ASN 55 CO 0.09 0.09 -0.25 -0.33 -1.29 0.00 0.00 177.43 175.74 3g6e h GLU 56 N 0.14 0.00 -0.14 6.67 5.08 -1.19 -1.69 114.58 123.45 3g6e h GLU 56 Ca 0.04 0.00 -0.13 0.00 -1.00 0.00 0.00 59.36 58.27 3g6e h GLU 56 Cb -0.02 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.24 3g6e h GLU 56 CO -0.01 0.25 -0.43 0.00 -1.00 0.00 0.00 179.01 177.82 3g6e h ALA 57 N 1.75 0.24 0.00 3.43 0.00 -0.96 -2.10 119.26 121.62 3g6e h ALA 57 Ca -0.00 -0.47 -0.09 0.00 0.00 0.00 0.00 54.91 54.35 3g6e h ALA 57 Cb 0.60 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 3g6e h ALA 57 CO 0.03 0.36 -0.42 0.00 0.00 0.00 0.00 179.25 179.23 3g6e h ALA 58 N 0.52 0.79 -0.21 0.00 0.00 -1.08 -3.18 119.26 116.10 3g6e h ALA 58 Ca -0.01 -0.38 0.00 0.00 0.00 0.00 0.00 54.91 54.52 3g6e h ALA 58 Cb 1.05 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.77 3g6e h ALA 58 CO 0.09 0.52 0.00 0.91 0.00 0.00 0.00 179.25 180.77 3g6e n TRP 59 N -3.29 0.26 -0.34 0.00 7.02 -0.66 -4.64 117.44 115.78 3g6e n TRP 59 Ca 0.01 -0.13 0.15 0.00 -1.02 0.00 0.00 57.50 56.51 3g6e n TRP 59 Cb 0.64 0.00 0.35 0.00 -2.42 0.00 0.00 31.31 29.88 3g6e n TRP 59 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 3g6e h ALA 60 N 4.54 1.69 -0.53 6.99 0.00 -1.36 -1.48 119.26 129.12 3g6e h ALA 60 Ca 0.00 0.11 -0.22 0.00 0.00 0.00 0.00 54.91 54.80 3g6e h ALA 60 Cb 0.92 -0.02 -0.13 0.00 0.00 0.00 0.00 17.79 18.56 3g6e h ALA 60 CO 0.00 -0.17 0.14 0.54 0.00 0.00 0.00 179.25 179.77 3g6e n ARG 61 N -4.84 2.50 0.00 0.00 1.74 -1.26 -5.07 116.66 109.72 3g6e n ARG 61 Ca 0.25 -3.07 0.00 0.00 -0.77 0.00 0.00 57.85 54.26 3g6e n ARG 61 Cb 0.65 -1.97 0.00 0.00 -1.02 0.00 0.00 32.46 30.12 3g6e n ARG 61 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3g6e n GLY 62 N -0.82 -1.76 0.13 -0.13 0.00 -0.56 -4.06 105.19 97.99 3g6e n GLY 62 Ca 0.37 -2.01 0.09 0.00 0.00 0.00 0.00 46.02 44.48 3g6e n GLY 62 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 3g6e h ARG 63 N 0.00 0.00 0.04 1.61 2.43 -1.88 -3.40 114.38 113.19 3g6e h ARG 63 Ca 0.00 0.00 -0.37 0.00 -0.81 0.00 0.00 59.98 58.80 3g6e h ARG 63 Cb 0.00 0.00 -0.05 0.00 -0.42 0.00 0.00 29.97 29.50 3g6e h ARG 63 CO 0.00 0.09 -2.19 0.00 -1.51 0.00 0.00 179.97 176.35 3g6e n ALA 64 N -2.21 1.26 -3.32 2.80 0.00 -1.26 -1.21 120.51 116.58 3g6e n ALA 64 Ca -0.01 -0.91 -0.46 0.00 0.00 0.00 0.00 53.44 52.06 3g6e n ALA 64 Cb 0.61 -0.42 -0.01 0.00 0.00 0.00 0.00 19.45 19.63 3g6e n ALA 64 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 3g6e s ASN 65 N -6.51 7.06 -0.05 0.00 0.01 -1.26 -4.71 114.94 109.49 3g6e s ASN 65 Ca -0.23 -3.15 -0.12 0.00 -0.71 0.00 0.00 52.86 48.65 3g6e s ASN 65 Cb 0.08 -2.22 -0.05 0.00 0.41 0.00 0.00 41.25 39.47 3g6e s ASN 65 CO 0.72 -0.44 0.30 -0.89 -1.51 0.00 0.00 177.10 175.28 3g6e s THR 66 N -0.48 5.23 0.34 1.60 2.01 -1.26 -4.24 115.64 118.84 3g6e s THR 66 Ca 0.26 0.58 -0.28 0.00 0.31 0.00 0.00 61.69 62.55 3g6e s THR 66 Cb -0.10 -3.59 -0.10 0.00 0.01 0.00 0.00 72.50 68.72 3g6e s THR 66 CO -0.08 0.59 1.35 -2.16 -0.69 0.00 0.00 174.62 173.62 3g6e s PRO 67 N -0.98 4.29 0.56 4.92 0.04 -1.26 -4.94 135.00 137.63 3g6e s PRO 67 Ca 0.20 2.30 0.31 0.00 0.04 0.00 0.00 61.00 63.85 3g6e s PRO 67 Cb -0.15 -3.04 1.65 0.00 0.04 0.00 0.00 34.50 33.01 3g6e s PRO 67 CO 0.09 -0.28 2.14 0.66 0.04 0.00 0.00 177.00 179.65 3g6e h SER 68 N 3.27 0.00 -5.00 6.66 4.64 -1.96 -3.43 113.55 117.73 3g6e h SER 68 Ca -0.49 0.00 -0.31 0.00 -0.47 0.00 0.00 61.79 60.52 3g6e h SER 68 Cb 1.23 0.00 -0.15 0.00 -0.31 0.00 0.00 62.40 63.17 3g6e h SER 68 CO 0.65 0.07 -0.61 -0.54 -0.87 0.00 0.00 176.83 175.53 3g6e s LYS 69 N -4.21 1.34 -0.30 4.77 1.02 -1.26 -0.07 119.74 121.03 3g6e s LYS 69 Ca -0.03 -1.72 -0.13 0.00 0.02 0.00 0.00 55.97 54.11 3g6e s LYS 69 Cb 0.13 -0.02 0.13 0.00 -0.52 0.00 0.00 37.83 37.56 3g6e s LYS 69 CO 0.55 -0.35 0.79 -1.50 -0.92 0.00 0.00 175.35 173.92 3g6e s ILE 70 N -3.92 -0.57 -0.01 2.17 2.07 -0.99 -4.89 121.20 115.06 3g6e s ILE 70 Ca 0.38 0.00 -0.30 0.00 -1.41 0.00 0.00 60.65 59.32 3g6e s ILE 70 Cb 0.07 -1.00 -0.03 0.00 0.13 0.00 0.00 42.46 41.63 3g6e s ILE 70 CO 0.13 0.00 0.98 -0.13 -1.91 0.00 0.00 174.94 174.01 3g6e s ARG 71 N 2.38 4.55 -0.02 3.50 0.52 -1.26 -1.13 118.95 127.48 3g6e s ARG 71 Ca -0.06 1.41 0.01 0.00 -0.52 0.00 0.00 55.73 56.57 3g6e s ARG 71 Cb -0.08 -3.47 0.01 0.00 0.52 0.00 0.00 34.95 31.93 3g6e s ARG 71 CO -0.18 -0.07 -0.02 0.54 0.02 0.00 0.00 175.30 175.58 3g6e s VAL 72 N 1.10 0.26 -0.31 3.52 0.11 0.82 -4.00 120.40 121.90 3g6e s VAL 72 Ca 0.52 -0.05 -0.11 0.00 -2.93 0.00 0.00 61.98 59.41 3g6e s VAL 72 Cb -0.21 -0.28 -0.02 0.00 -1.53 0.00 0.00 36.38 34.34 3g6e s VAL 72 CO 0.27 0.12 0.18 -0.60 -3.33 0.00 0.00 175.10 171.74 3g6e s ARG 73 N 0.47 3.52 0.01 1.54 3.52 0.36 -0.54 118.95 127.83 3g6e s ARG 73 Ca -0.05 -0.61 0.06 0.00 -0.13 0.00 0.00 55.73 55.00 3g6e s ARG 73 Cb -0.08 -3.64 -0.02 0.00 -1.56 0.00 0.00 34.95 29.65 3g6e s ARG 73 CO -0.01 -0.37 -0.19 0.00 -0.81 0.00 0.00 175.30 173.93 3g6e s ALA 74 N 1.67 1.58 0.10 6.12 0.00 -0.86 -1.28 121.76 129.10 3g6e s ALA 74 Ca 0.06 -0.89 0.08 0.00 0.00 0.00 0.00 51.96 51.21 3g6e s ALA 74 Cb -0.17 -0.35 -0.04 0.00 0.00 0.00 0.00 23.12 22.56 3g6e s ALA 74 CO 0.08 0.37 -0.17 0.00 0.00 0.00 0.00 175.76 176.04 3g6e s ALA 75 N -0.60 2.70 -0.12 0.00 0.00 -0.70 -2.20 121.76 120.84 3g6e s ALA 75 Ca 0.07 -1.31 0.01 0.00 0.00 0.00 0.00 51.96 50.72 3g6e s ALA 75 Cb -0.08 -0.69 0.02 0.00 0.00 0.00 0.00 23.12 22.37 3g6e s ALA 75 CO 0.00 0.60 -0.13 0.50 0.00 0.00 0.00 175.76 176.73 3g6e s ARG 76 N -2.04 2.01 0.00 0.00 3.52 -1.26 -2.79 118.95 118.38 3g6e s ARG 76 Ca 0.18 -0.46 0.00 0.00 -0.13 0.00 0.00 55.73 55.31 3g6e s ARG 76 Cb -0.11 -1.83 0.00 0.00 -1.56 0.00 0.00 34.95 31.45 3g6e s ARG 76 CO 0.10 -0.17 0.00 1.97 -0.81 0.00 0.00 175.30 176.39 3g6e n PHE 77 N 4.55 -0.61 -0.64 5.12 1.16 -1.10 -4.79 117.46 121.15 3g6e n PHE 77 Ca -0.17 0.00 0.08 0.00 -1.87 0.00 0.00 57.45 55.49 3g6e n PHE 77 Cb 0.51 0.00 -0.03 0.00 -1.61 0.00 0.00 39.48 38.34 3g6e n PHE 77 CO 0.00 0.00 0.00 0.39 -1.87 0.00 0.00 176.76 175.28 3g6e n GLU 78 N 0.00 -1.40 -0.13 3.97 1.02 -1.26 -2.03 120.64 120.81 3g6e n GLU 78 Ca 0.00 1.06 -0.09 0.00 -0.02 0.00 0.00 57.16 58.11 3g6e n GLU 78 Cb 0.00 -1.67 -0.01 0.00 -0.02 0.00 0.00 31.44 29.75 3g6e n GLU 78 CO 0.00 0.00 0.00 1.05 1.18 0.00 0.00 177.13 179.36 3g6e h GLU 79 N -0.62 0.59 0.15 3.49 -0.00 -2.03 -3.23 114.58 112.94 3g6e h GLU 79 Ca -0.04 -0.11 -0.32 0.00 -0.00 0.00 0.00 59.36 58.88 3g6e h GLU 79 Cb 0.60 -0.09 0.00 0.00 -0.00 0.00 0.00 28.75 29.26 3g6e h GLU 79 CO 0.02 0.57 -1.58 1.49 -0.00 0.00 0.00 179.01 179.50 3g6e h GLU 80 N 0.49 0.33 0.00 1.06 4.81 -2.07 -3.50 114.58 115.70 3g6e h GLU 80 Ca 0.13 -0.56 0.00 0.00 -0.13 0.00 0.00 59.36 58.80 3g6e h GLU 80 Cb 0.20 0.21 0.00 0.00 0.63 0.00 0.00 28.75 29.78 3g6e h GLU 80 CO -0.01 1.21 0.00 0.41 -0.73 0.00 0.00 179.01 179.89 3g6e n GLY 81 N 1.73 1.54 3.45 1.92 0.00 -1.22 -5.06 105.19 107.54 3g6e n GLY 81 Ca -0.19 -1.12 -0.10 0.00 0.00 0.00 0.00 46.02 44.62 3g6e n GLY 81 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3g6e s GLU 82 N -2.76 1.40 -0.06 1.61 4.04 -0.86 -4.81 118.70 117.25 3g6e s GLU 82 Ca 0.00 -1.34 -0.02 0.00 0.04 0.00 0.00 54.97 53.65 3g6e s GLU 82 Cb 0.00 0.40 0.03 0.00 0.02 0.00 0.00 34.13 34.59 3g6e s GLU 82 CO 0.00 -0.54 0.04 0.00 -1.84 0.00 0.00 175.26 172.92 3g6e s ALA 83 N -4.05 0.42 -0.22 -0.84 0.00 -0.90 -2.70 121.76 113.48 3g6e s ALA 83 Ca 0.26 0.03 -0.13 0.00 0.00 0.00 0.00 51.96 52.12 3g6e s ALA 83 Cb 0.02 -0.70 -0.05 0.00 0.00 0.00 0.00 23.12 22.39 3g6e s ALA 83 CO 0.08 -0.54 0.25 0.42 0.00 0.00 0.00 175.76 175.98 3g6e s ILE 84 N 2.09 5.30 0.03 0.00 1.01 -1.12 -0.26 121.20 128.26 3g6e s ILE 84 Ca 0.05 0.38 0.06 0.00 0.00 0.00 0.00 60.65 61.14 3g6e s ILE 84 Cb -0.12 -3.59 -0.02 0.00 0.01 0.00 0.00 42.46 38.74 3g6e s ILE 84 CO -0.04 0.32 -0.19 -0.69 0.00 0.00 0.00 174.94 174.34 3g6e s VAL 85 N 1.10 1.50 0.21 2.92 1.01 0.02 -1.72 120.40 125.44 3g6e s VAL 85 Ca 0.12 -1.05 -0.05 0.00 0.00 0.00 0.00 61.98 61.00 3g6e s VAL 85 Cb -0.14 -1.30 -0.03 0.00 0.00 0.00 0.00 36.38 34.91 3g6e s VAL 85 CO 0.05 0.22 0.24 -1.83 0.00 0.00 0.00 175.10 173.79 3g6e s GLU 86 N -0.97 1.29 0.62 2.72 -1.05 -0.40 -0.52 118.70 120.38 3g6e s GLU 86 Ca 0.06 -1.47 -0.01 0.00 -0.15 0.00 0.00 54.97 53.40 3g6e s GLU 86 Cb -0.08 0.34 0.06 0.00 -0.44 0.00 0.00 34.13 34.00 3g6e s GLU 86 CO 0.01 -0.46 0.88 0.00 0.95 0.00 0.00 175.26 176.63 3g6e s ALA 87 N -4.10 3.65 0.00 -0.84 0.00 -1.26 -0.49 121.76 118.73 3g6e s ALA 87 Ca 0.32 -1.27 0.00 0.00 0.00 0.00 0.00 51.96 51.01 3g6e s ALA 87 Cb 0.04 -2.22 0.00 0.00 0.00 0.00 0.00 23.12 20.95 3g6e s ALA 87 CO 0.10 -1.01 0.07 -0.85 0.00 0.00 0.00 175.76 174.06