#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3e1c n SER 3 N 0.00 0.00 -4.58 6.15 3.41 -1.26 -4.45 113.62 112.89 3e1c n SER 3 Ca 0.00 -0.64 -0.23 0.00 -0.26 0.00 0.00 58.87 57.74 3e1c n SER 3 Cb 0.00 0.00 -0.08 0.00 -0.26 0.00 0.00 64.21 63.87 3e1c n SER 3 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 3e1c s LEU 4 N -1.42 2.81 0.10 1.04 2.96 -1.26 -4.86 118.68 118.05 3e1c s LEU 4 Ca 0.08 -1.34 0.25 0.00 -0.22 0.00 0.00 54.13 52.90 3e1c s LEU 4 Cb 0.04 -2.59 0.46 0.00 0.50 0.00 0.00 46.19 44.59 3e1c s LEU 4 CO 0.06 -3.68 1.41 2.29 -1.32 0.00 0.00 176.35 175.11 3e1c n LYS 5 N 8.28 0.23 0.00 1.98 -0.00 -1.26 -4.17 118.16 123.22 3e1c n LYS 5 Ca 0.43 0.08 0.00 0.00 -0.00 0.00 0.00 58.31 58.82 3e1c n LYS 5 Cb 0.47 -1.66 0.00 0.00 -0.00 0.00 0.00 35.03 33.84 3e1c n LYS 5 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.40 179.03 3e1c n LYS 6 N -1.99 0.00 -3.52 -1.58 4.76 -1.26 -5.16 118.16 109.40 3e1c n LYS 6 Ca 0.04 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.48 3e1c n LYS 6 Cb 0.42 -0.06 0.00 0.00 -1.84 0.00 0.00 35.03 33.55 3e1c n LYS 6 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3e1c n GLY 7 N 0.00 -1.76 3.30 0.72 0.00 -1.26 -5.16 105.19 101.03 3e1c n GLY 7 Ca 0.00 -1.12 -0.39 0.00 0.00 0.00 0.00 46.02 44.52 3e1c n GLY 7 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3e1c n PRO 8 N -0.31 0.13 -1.00 1.61 -0.02 -1.26 -4.98 135.00 129.17 3e1c n PRO 8 Ca 0.00 0.05 0.00 0.00 -2.02 0.00 0.00 63.50 61.53 3e1c n PRO 8 Cb 0.00 -1.19 0.00 0.00 -0.02 0.00 0.00 33.50 32.29 3e1c n PRO 8 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 3e1c n PHE 9 N -1.62 -0.10 -4.18 6.00 7.35 -1.26 -5.09 117.46 118.55 3e1c n PHE 9 Ca 0.08 0.00 -0.11 0.00 -0.76 0.00 0.00 57.45 56.66 3e1c n PHE 9 Cb 0.48 0.00 -0.10 0.00 0.35 0.00 0.00 39.48 40.21 3e1c n PHE 9 CO 0.00 0.00 0.00 0.96 -0.76 0.00 0.00 176.76 176.96 3e1c s ILE 10 N -1.82 0.08 -0.40 -2.13 -4.36 -1.26 -4.57 121.20 106.74 3e1c s ILE 10 Ca 0.00 -1.96 -0.29 0.00 -0.26 0.00 0.00 60.65 58.14 3e1c s ILE 10 Cb 0.00 -2.31 0.02 0.00 1.25 0.00 0.00 42.46 41.42 3e1c s ILE 10 CO 0.00 -0.21 1.27 -1.81 0.24 0.00 0.00 174.94 174.43 3e1c s ASP 11 N -3.12 6.56 0.21 4.36 1.11 -1.09 -4.72 116.67 119.99 3e1c s ASP 11 Ca 0.32 0.80 -0.09 0.00 0.18 0.00 0.00 52.55 53.77 3e1c s ASP 11 Cb 0.07 -2.54 0.22 0.00 1.07 0.00 0.00 42.92 41.74 3e1c s ASP 11 CO 0.08 -1.25 1.84 0.25 1.18 0.00 0.00 175.17 177.27 3e1c h LEU 12 N 11.41 0.71 -0.56 1.23 7.12 -1.98 -2.87 115.31 130.36 3e1c h LEU 12 Ca -0.25 0.01 -0.13 0.00 0.13 0.00 0.00 57.88 57.64 3e1c h LEU 12 Cb 1.08 -0.14 -0.02 0.00 -0.53 0.00 0.00 40.66 41.05 3e1c h LEU 12 CO 1.09 0.48 -0.63 0.45 -0.13 0.00 0.00 178.44 179.69 3e1c h HIS 13 N 0.84 0.00 0.41 1.25 3.86 -2.00 -3.30 115.15 116.21 3e1c h HIS 13 Ca 0.30 0.00 -0.02 0.00 -1.16 0.00 0.00 60.37 59.49 3e1c h HIS 13 Cb 0.08 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.55 3e1c h HIS 13 CO -0.05 0.63 -0.20 1.25 0.86 0.00 0.00 177.93 180.42 3e1c h LEU 14 N 0.00 -0.46 -2.12 2.43 6.46 -1.93 -3.21 115.31 116.48 3e1c h LEU 14 Ca -0.01 0.02 0.04 0.00 -0.12 0.00 0.00 57.88 57.81 3e1c h LEU 14 Cb 1.22 0.12 -0.01 0.00 -0.73 0.00 0.00 40.66 41.27 3e1c h LEU 14 CO 0.08 -0.28 0.11 -0.07 -0.62 0.00 0.00 178.44 177.66 3e1c h LEU 15 N -0.66 0.00 -1.77 2.25 3.38 -1.70 0.22 115.31 117.02 3e1c h LEU 15 Ca -0.06 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.91 3e1c h LEU 15 Cb 0.42 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.17 3e1c h LEU 15 CO 0.09 0.00 0.20 0.50 0.09 0.00 0.00 178.44 179.32 3e1c h LYS 16 N 0.00 0.00 0.00 1.13 3.64 -1.63 -3.18 116.57 116.53 3e1c h LYS 16 Ca 0.06 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.44 3e1c h LYS 16 Cb 0.28 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.10 3e1c h LYS 16 CO -0.00 0.00 0.00 1.63 -2.27 0.00 0.00 179.45 178.81 3e1c n LYS 17 N -2.58 0.37 0.24 1.90 5.02 0.03 -4.54 118.16 118.60 3e1c n LYS 17 Ca -0.02 -0.28 0.15 0.00 -2.02 0.00 0.00 58.31 56.14 3e1c n LYS 17 Cb 0.24 -0.75 0.79 0.00 -0.02 0.00 0.00 35.03 35.29 3e1c n LYS 17 CO 0.00 0.00 0.00 -0.24 -0.52 0.00 0.00 177.40 176.64 3e1c h VAL 18 N 0.25 0.00 0.00 -0.18 3.04 -1.45 -3.43 116.25 114.48 3e1c h VAL 18 Ca 0.00 0.00 -0.03 0.00 -1.01 0.00 0.00 66.70 65.66 3e1c h VAL 18 Cb 0.12 0.64 -0.00 0.00 -2.01 0.00 0.00 31.29 30.04 3e1c h VAL 18 CO 0.00 0.00 -0.15 -0.33 -1.01 0.00 0.00 177.57 176.08 3e1c h GLU 19 N 0.00 0.00 0.00 4.17 5.08 -1.80 -1.21 114.58 120.82 3e1c h GLU 19 Ca 0.00 0.00 -0.16 0.00 -1.00 0.00 0.00 59.36 58.20 3e1c h GLU 19 Cb 0.15 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.38 3e1c h GLU 19 CO 0.00 0.15 -2.05 1.63 -1.00 0.00 0.00 179.01 177.74 3e1c n LYS 20 N -3.25 0.67 0.04 2.33 4.76 -1.26 -4.24 118.16 117.21 3e1c n LYS 20 Ca 0.01 -0.08 0.13 0.00 -2.87 0.00 0.00 58.31 55.51 3e1c n LYS 20 Cb 0.44 -1.56 0.44 0.00 -1.84 0.00 0.00 35.03 32.51 3e1c n LYS 20 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3e1c n ALA 21 N -2.45 2.54 1.10 7.82 0.00 -0.97 -2.36 120.51 126.19 3e1c n ALA 21 Ca -0.15 -0.12 0.13 0.00 0.00 0.00 0.00 53.44 53.29 3e1c n ALA 21 Cb 0.82 -1.39 0.44 0.00 0.00 0.00 0.00 19.45 19.32 3e1c n ALA 21 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.50 179.05 3e1c n VAL 22 N -1.84 0.00 -2.31 0.00 3.14 -0.50 -4.40 118.33 112.42 3e1c n VAL 22 Ca 0.06 -0.02 -0.43 0.00 -2.96 0.00 0.00 64.34 60.99 3e1c n VAL 22 Cb 0.38 -0.03 0.00 0.00 -1.06 0.00 0.00 33.84 33.13 3e1c n VAL 22 CO 0.00 0.00 0.00 1.21 -6.46 0.00 0.00 176.83 171.58 3e1c n GLU 23 N -1.33 3.19 -0.92 1.45 2.13 -0.99 -4.33 120.64 119.83 3e1c n GLU 23 Ca 0.08 -3.19 0.00 0.00 0.66 0.00 0.00 57.16 54.71 3e1c n GLU 23 Cb 0.33 -3.25 0.00 0.00 0.27 0.00 0.00 31.44 28.79 3e1c n GLU 23 CO 0.00 0.00 0.00 0.43 -0.41 0.00 0.00 177.13 177.15 3e1c n SER 24 N 6.35 -1.22 0.00 4.31 7.64 -1.26 -4.96 113.62 124.48 3e1c n SER 24 Ca 0.46 0.00 0.00 0.00 1.01 0.00 0.00 58.87 60.34 3e1c n SER 24 Cb 0.41 -0.61 0.00 0.00 -1.01 0.00 0.00 64.21 63.00 3e1c n SER 24 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3e1c n GLY 25 N -0.53 -0.10 0.11 0.23 0.00 -1.26 -3.70 105.19 99.94 3e1c n GLY 25 Ca 0.00 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.09 3e1c n GLY 25 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3e1c n ASP 26 N -0.98 0.38 -4.65 1.61 9.92 -1.26 -4.63 116.55 116.93 3e1c n ASP 26 Ca 0.00 0.68 -0.30 0.00 -0.53 0.00 0.00 54.79 54.63 3e1c n ASP 26 Cb 0.24 -0.72 0.17 0.00 -0.64 0.00 0.00 41.12 40.16 3e1c n ASP 26 CO 0.00 0.00 0.00 -0.54 0.13 0.00 0.00 177.20 176.79 3e1c s LYS 27 N -3.37 0.81 1.02 -1.24 1.02 -1.24 -5.07 119.74 111.66 3e1c s LYS 27 Ca -0.02 1.27 -0.13 0.00 0.02 0.00 0.00 55.97 57.11 3e1c s LYS 27 Cb 0.04 -1.72 0.14 0.00 -0.52 0.00 0.00 37.83 35.77 3e1c s LYS 27 CO 0.13 -2.68 0.71 0.36 -0.92 0.00 0.00 175.35 172.95 3e1c n LYS 28 N -4.24 -1.02 -1.00 1.68 2.85 -1.26 -4.83 118.16 110.33 3e1c n LYS 28 Ca 0.09 -0.25 -0.29 0.00 -1.05 0.00 0.00 58.31 56.81 3e1c n LYS 28 Cb 0.53 -2.07 0.18 0.00 -0.65 0.00 0.00 35.03 33.03 3e1c n LYS 28 CO 0.00 0.00 0.00 -2.14 -0.05 0.00 0.00 177.40 175.21 3e1c s PRO 29 N -4.09 0.34 0.40 -1.58 0.02 -1.26 -4.91 135.00 123.91 3e1c s PRO 29 Ca 0.62 0.73 0.08 0.00 0.02 0.00 0.00 61.00 62.45 3e1c s PRO 29 Cb -0.21 -1.71 0.01 0.00 0.02 0.00 0.00 34.50 32.61 3e1c s PRO 29 CO 0.64 -2.85 0.55 -0.51 -0.33 0.00 0.00 177.00 174.50 3e1c s LEU 30 N -6.59 3.72 0.00 -5.54 1.43 -0.75 -5.02 118.68 105.93 3e1c s LEU 30 Ca 0.66 -0.37 -0.00 0.00 -1.03 0.00 0.00 54.13 53.38 3e1c s LEU 30 Cb -0.20 -2.68 -0.00 0.00 0.03 0.00 0.00 46.19 43.34 3e1c s LEU 30 CO 0.59 -0.69 -0.00 -0.13 0.23 0.00 0.00 176.35 176.35 3e1c s ARG 31 N -4.31 0.02 -0.07 1.70 0.52 -1.26 -1.17 118.95 114.37 3e1c s ARG 31 Ca 0.53 -0.03 -0.15 0.00 -0.52 0.00 0.00 55.73 55.55 3e1c s ARG 31 Cb -0.10 0.01 0.03 0.00 0.52 0.00 0.00 34.95 35.41 3e1c s ARG 31 CO 0.33 -0.00 0.37 -0.08 0.02 0.00 0.00 175.30 175.93 3e1c s THR 32 N -0.09 0.03 -0.17 0.02 -1.32 -0.77 -4.94 115.64 108.39 3e1c s THR 32 Ca -0.01 -0.23 0.03 0.00 -1.21 0.00 0.00 61.69 60.26 3e1c s THR 32 Cb -0.01 -0.61 -0.12 0.00 -1.51 0.00 0.00 72.50 70.25 3e1c s THR 32 CO -0.00 -0.13 -0.13 0.79 -2.21 0.00 0.00 174.62 172.94 3e1c n TRP 33 N 1.95 0.00 -0.87 9.09 8.01 -1.26 -1.14 117.44 133.22 3e1c n TRP 33 Ca -0.18 0.00 -0.14 0.00 -1.31 0.00 0.00 57.50 55.87 3e1c n TRP 33 Cb 0.57 -0.68 -0.12 0.00 -2.01 0.00 0.00 31.31 29.07 3e1c n TRP 33 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 177.69 175.55 3e1c n SER 34 N -2.96 4.85 0.08 -0.99 3.41 -1.26 -4.76 113.62 111.98 3e1c n SER 34 Ca -0.30 -2.34 0.03 0.00 -0.26 0.00 0.00 58.87 56.00 3e1c n SER 34 Cb 0.85 -1.21 0.05 0.00 -0.26 0.00 0.00 64.21 63.64 3e1c n SER 34 CO 0.00 0.00 0.00 -1.14 -0.16 0.00 0.00 175.04 173.74 3e1c n ARG 35 N 2.81 0.01 -0.31 4.33 0.63 -1.26 -1.98 116.66 120.89 3e1c n ARG 35 Ca 0.41 0.40 0.16 0.00 -0.92 0.00 0.00 57.85 57.90 3e1c n ARG 35 Cb 0.66 -1.07 0.33 0.00 0.45 0.00 0.00 32.46 32.84 3e1c n ARG 35 CO 0.00 0.00 0.00 -0.09 -2.51 0.00 0.00 177.63 175.03 3e1c h ARG 36 N 0.00 0.20 -0.96 -0.14 2.43 -1.97 -3.16 114.38 110.79 3e1c h ARG 36 Ca 0.06 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.21 3e1c h ARG 36 Cb 0.94 -0.05 0.00 0.00 -0.42 0.00 0.00 29.97 30.44 3e1c h ARG 36 CO -0.00 0.14 0.00 0.43 -1.51 0.00 0.00 179.97 179.02 3e1c n SER 37 N -5.21 0.00 -4.87 -3.80 7.64 -0.84 -4.32 113.62 102.22 3e1c n SER 37 Ca 0.24 0.00 -0.35 0.00 1.01 0.00 0.00 58.87 59.77 3e1c n SER 37 Cb 0.76 0.00 -0.05 0.00 -1.01 0.00 0.00 64.21 63.91 3e1c n SER 37 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 3e1c s THR 38 N 0.00 5.14 -0.04 0.44 -4.23 -1.26 -2.75 115.64 112.94 3e1c s THR 38 Ca 0.00 0.39 -0.05 0.00 -1.18 0.00 0.00 61.69 60.85 3e1c s THR 38 Cb 0.00 -3.63 0.01 0.00 1.34 0.00 0.00 72.50 70.22 3e1c s THR 38 CO 0.00 0.31 0.13 0.27 -0.54 0.00 0.00 174.62 174.79 3e1c s ILE 39 N -1.37 0.02 0.62 2.99 -0.00 -1.26 -2.66 121.20 119.54 3e1c s ILE 39 Ca 0.32 -0.15 -0.18 0.00 -0.00 0.00 0.00 60.65 60.64 3e1c s ILE 39 Cb -0.14 -0.24 -0.02 0.00 -0.00 0.00 0.00 42.46 42.06 3e1c s ILE 39 CO 0.18 -0.08 1.17 -0.36 -0.00 0.00 0.00 174.94 175.84 3e1c s PHE 40 N -0.24 2.44 -1.14 1.37 2.99 -1.26 -4.90 117.98 117.24 3e1c s PHE 40 Ca -0.03 1.54 0.22 0.00 0.00 0.00 0.00 56.93 58.66 3e1c s PHE 40 Cb -0.02 -3.38 1.00 0.00 0.00 0.00 0.00 43.02 40.61 3e1c s PHE 40 CO 0.00 -2.04 1.71 -0.35 -0.00 0.00 0.00 175.22 174.54 3e1c n PRO 41 N -1.88 0.11 0.28 0.24 -0.04 -1.26 -2.28 135.00 130.17 3e1c n PRO 41 Ca 0.13 0.11 0.19 0.00 -0.04 0.00 0.00 63.50 63.88 3e1c n PRO 41 Cb 0.50 -1.50 0.88 0.00 -0.04 0.00 0.00 33.50 33.34 3e1c n PRO 41 CO 0.00 0.00 0.00 -2.95 -0.04 0.00 0.00 175.50 172.51 3e1c h ASN 42 N 0.00 0.00 0.59 3.54 -1.07 -1.95 -2.93 115.58 113.75 3e1c h ASN 42 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.37 3e1c h ASN 42 Cb 0.32 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.57 3e1c h ASN 42 CO 0.00 0.00 0.00 -0.03 0.07 0.00 0.00 177.43 177.47 3e1c h MET 43 N 0.00 0.00 -6.64 4.14 4.05 -1.85 -3.47 114.93 111.16 3e1c h MET 43 Ca 0.00 0.00 -0.52 0.00 -0.28 0.00 0.00 59.70 58.90 3e1c h MET 43 Cb 0.25 0.00 0.06 0.00 -0.80 0.00 0.00 31.60 31.10 3e1c h MET 43 CO 0.00 0.00 1.02 -1.50 0.23 0.00 0.00 176.91 176.66 3e1c s ILE 44 N -3.46 2.10 0.00 1.77 1.10 -1.11 -3.40 121.20 118.20 3e1c s ILE 44 Ca 0.02 0.04 0.00 0.00 -0.51 0.00 0.00 60.65 60.20 3e1c s ILE 44 Cb 0.09 -3.03 0.00 0.00 0.15 0.00 0.00 42.46 39.67 3e1c s ILE 44 CO 0.38 0.00 0.00 0.61 -2.11 0.00 0.00 174.94 173.82 3e1c n GLY 45 N 3.99 0.72 2.94 1.50 0.00 -0.18 -5.04 105.19 109.11 3e1c n GLY 45 Ca 0.16 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.94 3e1c n GLY 45 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 3e1c n LEU 46 N 0.00 0.00 -4.58 0.99 -0.00 -1.19 -4.77 117.00 107.45 3e1c n LEU 46 Ca 0.00 -2.68 -0.35 0.00 -0.00 0.00 0.00 56.01 52.99 3e1c n LEU 46 Cb 0.00 0.68 -0.11 0.00 -0.00 0.00 0.00 43.42 43.99 3e1c n LEU 46 CO 0.00 -0.40 -0.27 -0.89 -0.00 0.00 0.00 177.39 175.82 3e1c s THR 47 N -2.75 4.56 -0.24 1.47 2.01 -1.26 -1.08 115.64 118.34 3e1c s THR 47 Ca 0.11 -0.11 -0.02 0.00 0.31 0.00 0.00 61.69 61.98 3e1c s THR 47 Cb 0.01 -3.05 0.08 0.00 0.01 0.00 0.00 72.50 69.54 3e1c s THR 47 CO 0.08 0.45 0.05 -0.51 -0.69 0.00 0.00 174.62 174.00 3e1c s ILE 48 N 0.52 0.75 0.44 1.82 1.10 0.78 -1.81 121.20 124.81 3e1c s ILE 48 Ca 0.02 -0.94 0.00 0.00 -0.51 0.00 0.00 60.65 59.22 3e1c s ILE 48 Cb -0.13 -1.35 -0.01 0.00 0.15 0.00 0.00 42.46 41.13 3e1c s ILE 48 CO 0.01 -0.38 0.66 0.00 -2.11 0.00 0.00 174.94 173.13 3e1c s ALA 49 N 1.73 3.76 -0.02 1.50 0.00 -0.32 -1.87 121.76 126.54 3e1c s ALA 49 Ca 0.03 -1.05 0.03 0.00 0.00 0.00 0.00 51.96 50.96 3e1c s ALA 49 Cb -0.17 -2.13 0.00 0.00 0.00 0.00 0.00 23.12 20.81 3e1c s ALA 49 CO -0.15 -0.36 -0.10 0.08 0.00 0.00 0.00 175.76 175.24 3e1c s VAL 50 N -2.54 0.81 -0.40 0.00 1.01 -0.56 -1.85 120.40 116.86 3e1c s VAL 50 Ca 0.48 -0.39 -0.27 0.00 0.00 0.00 0.00 61.98 61.80 3e1c s VAL 50 Cb -0.10 -0.70 -0.05 0.00 0.00 0.00 0.00 36.38 35.53 3e1c s VAL 50 CO 0.38 0.24 2.19 -2.28 0.00 0.00 0.00 175.10 175.63 3e1c s HIS 51 N 0.08 1.28 0.21 5.22 5.04 -0.29 -0.88 115.29 125.94 3e1c s HIS 51 Ca -0.01 1.02 0.12 0.00 -1.54 0.00 0.00 55.06 54.64 3e1c s HIS 51 Cb -0.07 -3.83 0.31 0.00 0.04 0.00 0.00 32.58 29.02 3e1c s HIS 51 CO 0.00 -3.03 1.57 -2.95 -2.34 0.00 0.00 174.74 167.99 3e1c h ASN 52 N 16.65 0.00 0.00 9.88 7.08 -1.58 -3.46 115.58 144.15 3e1c h ASN 52 Ca -0.31 0.00 -0.01 0.00 -3.08 0.00 0.00 56.30 52.90 3e1c h ASN 52 Cb 1.23 0.00 -0.02 0.00 -2.08 0.00 0.00 38.32 37.45 3e1c h ASN 52 CO 1.09 0.63 -0.31 0.61 -2.08 0.00 0.00 177.43 177.36 3e1c n GLY 53 N 0.47 4.67 0.08 9.14 0.00 -1.26 -4.10 105.19 114.18 3e1c n GLY 53 Ca -0.01 -1.16 -0.13 0.00 0.00 0.00 0.00 46.02 44.72 3e1c n GLY 53 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3e1c h ARG 54 N 0.54 -0.10 0.00 1.61 3.08 -1.86 -3.46 114.38 114.19 3e1c h ARG 54 Ca -0.01 0.01 -0.23 0.00 0.07 0.00 0.00 59.98 59.82 3e1c h ARG 54 Cb 1.06 0.02 -0.05 0.00 0.08 0.00 0.00 29.97 31.08 3e1c h ARG 54 CO 0.00 0.09 -0.18 1.04 -1.07 0.00 0.00 179.97 179.85 3e1c n GLN 55 N -5.06 1.01 -3.77 0.04 1.13 -1.26 -5.15 117.38 104.32 3e1c n GLN 55 Ca -0.08 -1.38 -0.36 0.00 -1.94 0.00 0.00 57.00 53.25 3e1c n GLN 55 Cb 0.14 0.63 -0.11 0.00 0.11 0.00 0.00 30.24 31.01 3e1c n GLN 55 CO 0.00 0.00 0.00 -1.58 -1.44 0.00 0.00 177.06 174.04 3e1c s HIS 56 N -2.01 3.49 -0.22 1.08 2.46 -1.26 -1.40 115.29 117.43 3e1c s HIS 56 Ca 0.06 -2.62 -0.18 0.00 0.47 0.00 0.00 55.06 52.79 3e1c s HIS 56 Cb 0.00 -3.18 -0.03 0.00 -0.13 0.00 0.00 32.58 29.24 3e1c s HIS 56 CO 0.04 -0.90 0.49 0.08 -2.47 0.00 0.00 174.74 171.98 3e1c s VAL 57 N 0.52 5.11 -0.16 0.89 1.01 -0.06 -4.77 120.40 122.94 3e1c s VAL 57 Ca 0.13 0.87 -0.29 0.00 0.00 0.00 0.00 61.98 62.68 3e1c s VAL 57 Cb -0.22 -3.81 -0.01 0.00 0.00 0.00 0.00 36.38 32.34 3e1c s VAL 57 CO -0.04 0.16 1.24 -2.16 0.00 0.00 0.00 175.10 174.30 3e1c s PRO 58 N 1.83 4.25 0.01 2.72 0.04 -1.26 -1.50 135.00 141.09 3e1c s PRO 58 Ca 0.22 1.64 0.01 0.00 0.04 0.00 0.00 61.00 62.91 3e1c s PRO 58 Cb -0.15 -3.73 -0.04 0.00 0.04 0.00 0.00 34.50 30.62 3e1c s PRO 58 CO 0.09 -0.67 0.04 0.08 0.04 0.00 0.00 177.00 176.58 3e1c s VAL 59 N 3.34 4.40 -0.26 -0.36 1.01 -0.78 -4.90 120.40 122.84 3e1c s VAL 59 Ca 0.54 -0.58 0.03 0.00 0.00 0.00 0.00 61.98 61.97 3e1c s VAL 59 Cb -0.22 -3.01 0.06 0.00 0.00 0.00 0.00 36.38 33.22 3e1c s VAL 59 CO 0.15 0.32 -0.09 -0.36 0.00 0.00 0.00 175.10 175.11 3e1c s PHE 60 N -1.18 3.26 -1.11 5.22 0.08 -1.26 -0.15 117.98 122.84 3e1c s PHE 60 Ca 0.22 -2.35 -0.08 0.00 0.12 0.00 0.00 56.93 54.84 3e1c s PHE 60 Cb -0.12 -1.99 -0.11 0.00 -0.57 0.00 0.00 43.02 40.24 3e1c s PHE 60 CO 0.14 -0.88 2.76 0.28 -0.10 0.00 0.00 175.22 177.41 3e1c n VAL 61 N 4.43 3.44 0.00 -0.44 0.31 -0.24 -4.86 118.33 120.97 3e1c n VAL 61 Ca -0.13 -2.00 0.00 0.00 -0.01 0.00 0.00 64.34 62.20 3e1c n VAL 61 Cb 0.42 -2.34 0.00 0.00 -0.91 0.00 0.00 33.84 31.01 3e1c n VAL 61 CO 0.00 0.00 0.00 0.35 -1.32 0.00 0.00 176.83 175.86 3e1c n THR 62 N 3.56 0.00 -1.52 2.52 -2.24 -1.26 -1.01 114.28 114.33 3e1c n THR 62 Ca 0.61 0.73 0.00 0.00 -2.27 0.00 0.00 64.05 63.12 3e1c n THR 62 Cb 0.31 -1.57 0.00 0.00 -2.10 0.00 0.00 70.33 66.97 3e1c n THR 62 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 3e1c n ASP 63 N -0.30 0.00 0.00 3.42 8.00 -1.26 -3.90 116.55 122.51 3e1c n ASP 63 Ca 0.00 -1.00 0.00 0.00 0.71 0.00 0.00 54.79 54.50 3e1c n ASP 63 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.10 3e1c n ASP 63 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 3e1c n GLU 64 N 0.00 1.28 -1.68 -1.24 1.02 -1.26 -5.11 120.64 113.64 3e1c n GLU 64 Ca 0.00 0.00 -0.46 0.00 -0.02 0.00 0.00 57.16 56.68 3e1c n GLU 64 Cb 0.35 -0.11 -0.04 0.00 -0.02 0.00 0.00 31.44 31.62 3e1c n GLU 64 CO 0.00 0.00 0.00 -1.33 1.18 0.00 0.00 177.13 176.98 3e1c n MET 65 N -0.06 2.34 0.00 3.49 2.81 -1.26 -4.80 117.12 119.63 3e1c n MET 65 Ca 0.00 0.85 0.00 0.00 -1.81 0.00 0.00 57.70 56.74 3e1c n MET 65 Cb 0.00 -2.70 0.00 0.00 -0.71 0.00 0.00 33.22 29.81 3e1c n MET 65 CO 0.00 0.00 0.00 1.33 1.51 0.00 0.00 175.97 178.81 3e1c n VAL 66 N 4.68 0.00 -0.03 2.03 0.24 -1.26 -4.71 118.33 119.27 3e1c n VAL 66 Ca 0.20 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.50 3e1c n VAL 66 Cb 0.32 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.69 3e1c n VAL 66 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3e1c n GLY 67 N 0.00 0.93 3.43 7.63 0.00 -1.26 -5.07 105.19 110.85 3e1c n GLY 67 Ca 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.87 3e1c n GLY 67 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 3e1c s HIS 68 N -0.42 -0.54 0.50 1.61 5.04 -1.26 -5.14 115.29 115.08 3e1c s HIS 68 Ca 0.00 1.16 -0.20 0.00 -1.54 0.00 0.00 55.06 54.49 3e1c s HIS 68 Cb 0.00 0.24 -0.11 0.00 0.04 0.00 0.00 32.58 32.75 3e1c s HIS 68 CO 0.00 -0.39 0.48 0.36 -2.34 0.00 0.00 174.74 172.85 3e1c n LYS 69 N 2.03 0.51 0.27 2.88 2.85 -1.26 -4.90 118.16 120.54 3e1c n LYS 69 Ca -0.16 0.19 0.18 0.00 -1.05 0.00 0.00 58.31 57.47 3e1c n LYS 69 Cb 0.56 -1.56 0.87 0.00 -0.65 0.00 0.00 35.03 34.26 3e1c n LYS 69 CO 0.00 0.00 0.00 1.25 -0.05 0.00 0.00 177.40 178.60 3e1c h LEU 70 N 0.49 0.00 -1.52 -5.58 5.85 -1.66 -2.93 115.31 109.96 3e1c h LEU 70 Ca -0.43 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.29 3e1c h LEU 70 Cb 1.40 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.43 3e1c h LEU 70 CO 0.49 0.00 0.36 1.23 -0.34 0.00 0.00 178.44 180.17 3e1c h GLY 71 N 0.93 0.00 2.00 3.75 0.00 -1.85 -3.34 103.07 104.56 3e1c h GLY 71 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3e1c h GLY 71 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 176.54 174.33 3e1c n GLU 72 N -2.59 0.09 -0.00 4.80 0.00 -1.11 -1.90 120.64 119.93 3e1c n GLU 72 Ca -0.02 0.39 0.00 0.00 0.00 0.00 0.00 57.16 57.53 3e1c n GLU 72 Cb 0.39 -1.70 0.00 0.00 0.00 0.00 0.00 31.44 30.14 3e1c n GLU 72 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.13 177.47 3e1c n PHE 73 N -1.87 0.00 -3.29 4.31 7.35 -1.25 -5.05 117.46 117.65 3e1c n PHE 73 Ca 0.02 -0.46 -0.41 0.00 -0.76 0.00 0.00 57.45 55.84 3e1c n PHE 73 Cb 0.16 -0.05 -0.08 0.00 0.35 0.00 0.00 39.48 39.86 3e1c n PHE 73 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 3e1c s ALA 74 N -0.94 3.49 -0.86 3.13 0.00 -0.80 -5.02 121.76 120.77 3e1c s ALA 74 Ca 0.01 -1.03 -0.21 0.00 0.00 0.00 0.00 51.96 50.72 3e1c s ALA 74 Cb 0.00 -2.94 0.09 0.00 0.00 0.00 0.00 23.12 20.27 3e1c s ALA 74 CO 0.00 -1.13 1.15 -1.25 0.00 0.00 0.00 175.76 174.54 3e1c s PRO 75 N 2.28 3.43 0.33 0.00 0.04 -1.26 -4.90 135.00 134.91 3e1c s PRO 75 Ca 0.17 -1.27 0.17 0.00 0.04 0.00 0.00 61.00 60.11 3e1c s PRO 75 Cb -0.16 -4.76 0.42 0.00 0.04 0.00 0.00 34.50 30.04 3e1c s PRO 75 CO 0.12 -1.90 1.61 1.79 0.04 0.00 0.00 177.00 178.67 3e1c h THR 76 N 6.08 0.91 -2.07 1.26 1.35 -1.96 -3.44 112.91 115.04 3e1c h THR 76 Ca 0.01 -1.87 0.12 0.00 -0.55 0.00 0.00 66.41 64.13 3e1c h THR 76 Cb 1.04 2.15 -0.17 0.00 -1.73 0.00 0.00 68.15 69.44 3e1c h THR 76 CO 1.20 0.44 0.54 0.00 -0.25 0.00 0.00 175.52 177.46 3e1c s ARG 77 N -3.33 0.72 -0.60 4.72 1.70 -1.26 -4.59 118.95 116.32 3e1c s ARG 77 Ca 0.02 -0.21 -0.26 0.00 -0.47 0.00 0.00 55.73 54.80 3e1c s ARG 77 Cb 0.10 0.33 -0.03 0.00 -0.57 0.00 0.00 34.95 34.78 3e1c s ARG 77 CO 0.71 -0.30 1.92 0.99 -1.08 0.00 0.00 175.30 177.54 3e1c s THR 78 N -2.74 3.32 0.00 4.99 2.01 -1.26 -4.89 115.64 117.07 3e1c s THR 78 Ca 0.05 0.18 -0.02 0.00 0.31 0.00 0.00 61.69 62.21 3e1c s THR 78 Cb -0.01 -3.84 -0.07 0.00 0.01 0.00 0.00 72.50 68.59 3e1c s THR 78 CO -0.07 -0.81 1.58 -1.22 -0.69 0.00 0.00 174.62 173.41 3e1c n TYR 79 N 13.09 0.00 0.00 4.92 0.53 -1.26 -5.30 117.16 129.14 3e1c n TYR 79 Ca 0.22 -0.65 0.00 0.00 -1.02 0.00 0.00 57.90 56.45 3e1c n TYR 79 Cb 0.52 -0.69 0.00 0.00 -1.03 0.00 0.00 39.34 38.14 3e1c n TYR 79 CO 0.00 0.00 0.00 0.54 -1.02 0.00 0.00 176.86 176.38