#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3e1c s LEU 2 N 0.00 1.11 0.54 -3.43 2.34 -1.26 -5.04 118.68 112.93 3e1c s LEU 2 Ca 0.00 0.44 -0.15 0.00 0.06 0.00 0.00 54.13 54.48 3e1c s LEU 2 Cb 0.00 -2.18 -0.07 0.00 -0.56 0.00 0.00 46.19 43.39 3e1c s LEU 2 CO 0.00 -3.94 1.00 -0.55 -1.06 0.00 0.00 176.35 171.80 3e1c s SER 3 N -4.22 6.50 0.57 1.48 0.15 -1.26 -4.87 113.70 112.04 3e1c s SER 3 Ca 0.73 1.55 0.34 0.00 0.70 0.00 0.00 55.95 59.27 3e1c s SER 3 Cb -0.07 -2.50 1.64 0.00 -1.71 0.00 0.00 66.02 63.39 3e1c s SER 3 CO 0.55 -0.68 2.10 0.00 1.20 0.00 0.00 173.24 176.42 3e1c h THR 4 N 0.63 0.21 -0.03 6.45 1.03 -1.98 0.52 112.91 119.74 3e1c h THR 4 Ca -0.46 -0.43 0.01 0.00 -0.01 0.00 0.00 66.41 65.52 3e1c h THR 4 Cb 1.19 1.34 -0.00 0.00 -1.07 0.00 0.00 68.15 69.61 3e1c h THR 4 CO 0.61 0.05 0.06 -0.08 -0.01 0.00 0.00 175.52 176.15 3e1c h GLU 5 N 0.00 0.00 0.00 0.00 4.81 -2.00 -2.11 114.58 115.28 3e1c h GLU 5 Ca -0.00 0.00 -0.09 0.00 -0.13 0.00 0.00 59.36 59.13 3e1c h GLU 5 Cb 0.34 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.71 3e1c h GLU 5 CO 0.01 0.00 -1.10 0.00 -0.73 0.00 0.00 179.01 177.19 3e1c n ALA 6 N -2.20 0.78 -0.29 2.92 0.00 0.08 -4.29 120.51 117.52 3e1c n ALA 6 Ca -0.02 -0.70 0.07 0.00 0.00 0.00 0.00 53.44 52.80 3e1c n ALA 6 Cb 0.14 -0.02 0.19 0.00 0.00 0.00 0.00 19.45 19.75 3e1c n ALA 6 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 3e1c h THR 7 N -1.00 0.23 0.00 0.00 1.35 -1.38 -1.38 112.91 110.72 3e1c h THR 7 Ca -0.14 -0.02 -0.08 0.00 -0.55 0.00 0.00 66.41 65.61 3e1c h THR 7 Cb 0.97 0.15 -0.01 0.00 -1.73 0.00 0.00 68.15 67.53 3e1c h THR 7 CO -0.09 0.01 -0.38 0.00 -0.25 0.00 0.00 175.52 174.81 3e1c h ALA 8 N 1.80 1.13 0.10 6.62 0.00 -1.62 -2.36 119.26 124.95 3e1c h ALA 8 Ca 0.46 -0.35 -0.16 0.00 0.00 0.00 0.00 54.91 54.86 3e1c h ALA 8 Cb 0.84 -0.06 0.02 0.00 0.00 0.00 0.00 17.79 18.59 3e1c h ALA 8 CO -0.77 0.48 -0.70 -0.22 0.00 0.00 0.00 179.25 178.04 3e1c h LYS 9 N 0.00 0.29 -0.58 0.00 1.63 -1.57 -3.24 116.57 113.10 3e1c h LYS 9 Ca -0.00 -0.45 0.09 0.00 -0.85 0.00 0.00 60.65 59.44 3e1c h LYS 9 Cb 0.79 0.16 -0.11 0.00 -0.60 0.00 0.00 32.23 32.48 3e1c h LYS 9 CO 0.05 1.19 -0.42 0.82 -3.45 0.00 0.00 179.45 177.65 3e1c h ILE 10 N -0.39 0.10 0.00 2.00 2.04 -0.90 -1.77 117.51 118.60 3e1c h ILE 10 Ca -0.12 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.74 3e1c h ILE 10 Cb 1.52 0.10 0.00 0.00 -0.74 0.00 0.00 36.82 37.70 3e1c h ILE 10 CO 0.13 0.00 0.00 0.52 0.00 0.00 0.00 178.15 178.80 3e1c n VAL 11 N -5.41 0.00 -0.19 1.67 0.31 -0.92 -1.81 118.33 111.98 3e1c n VAL 11 Ca 0.02 1.17 -0.05 0.00 -0.01 0.00 0.00 64.34 65.47 3e1c n VAL 11 Cb 0.35 -1.64 -0.04 0.00 -0.91 0.00 0.00 33.84 31.60 3e1c n VAL 11 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 3e1c n SER 12 N -1.95 -0.47 0.00 4.52 2.88 -1.18 -1.59 113.62 115.84 3e1c n SER 12 Ca 0.00 1.20 0.15 0.00 -1.33 0.00 0.00 58.87 58.88 3e1c n SER 12 Cb 0.00 -0.31 0.77 0.00 -0.75 0.00 0.00 64.21 63.92 3e1c n SER 12 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 3e1c n GLU 13 N -4.00 0.47 -0.00 -1.46 1.02 -0.67 -3.49 120.64 112.51 3e1c n GLU 13 Ca 0.01 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.15 3e1c n GLU 13 Cb 0.11 -1.50 -0.00 0.00 -0.02 0.00 0.00 31.44 30.03 3e1c n GLU 13 CO 0.00 0.00 0.00 1.19 1.18 0.00 0.00 177.13 179.50 3e1c n PHE 14 N -1.26 0.00 -1.19 -0.32 3.01 -0.75 -5.05 117.46 111.90 3e1c n PHE 14 Ca 0.15 0.00 -0.29 0.00 1.01 0.00 0.00 57.45 58.32 3e1c n PHE 14 Cb 0.23 -0.00 0.17 0.00 -0.01 0.00 0.00 39.48 39.87 3e1c n PHE 14 CO 0.00 0.00 0.00 0.20 1.01 0.00 0.00 176.76 177.97 3e1c s GLY 15 N -1.21 1.57 -0.05 1.37 0.00 -0.62 -4.23 107.32 104.15 3e1c s GLY 15 Ca 0.00 -0.33 -0.07 0.00 0.00 0.00 0.00 44.72 44.32 3e1c s GLY 15 CO 0.00 0.26 -0.13 -2.13 0.00 0.00 0.00 173.10 171.11 3e1c n ARG 16 N -4.13 0.19 0.08 2.90 0.63 -1.26 -4.99 116.66 110.08 3e1c n ARG 16 Ca 0.05 0.08 0.00 0.00 -0.92 0.00 0.00 57.85 57.06 3e1c n ARG 16 Cb 0.57 -0.78 0.00 0.00 0.45 0.00 0.00 32.46 32.71 3e1c n ARG 16 CO 0.00 0.00 0.00 -0.40 -2.51 0.00 0.00 177.63 174.72 3e1c n ASP 17 N -3.36 -0.71 -4.09 6.15 3.85 -1.26 -5.13 116.55 112.00 3e1c n ASP 17 Ca -0.05 0.27 -0.07 0.00 -0.71 0.00 0.00 54.79 54.23 3e1c n ASP 17 Cb 0.19 0.83 -0.10 0.00 -1.35 0.00 0.00 41.12 40.69 3e1c n ASP 17 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 3e1c s ALA 18 N -1.79 0.53 -0.78 2.12 0.00 -1.26 -4.99 121.76 115.60 3e1c s ALA 18 Ca 0.00 -1.21 -0.10 0.00 0.00 0.00 0.00 51.96 50.65 3e1c s ALA 18 Cb 0.00 0.26 0.10 0.00 0.00 0.00 0.00 23.12 23.48 3e1c s ALA 18 CO 0.00 -0.36 0.25 0.09 0.00 0.00 0.00 175.76 175.74 3e1c n ASN 19 N 0.12 -1.08 0.00 0.00 3.02 -1.26 -4.85 115.26 111.21 3e1c n ASN 19 Ca -0.14 -0.35 0.10 0.00 -0.03 0.00 0.00 54.58 54.16 3e1c n ASN 19 Cb 0.61 -0.98 0.54 0.00 -0.61 0.00 0.00 39.78 39.33 3e1c n ASN 19 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 3e1c n ASP 20 N -1.38 0.00 0.00 6.41 9.92 -1.26 -4.60 116.55 125.64 3e1c n ASP 20 Ca 0.05 -0.37 0.00 0.00 -0.53 0.00 0.00 54.79 53.94 3e1c n ASP 20 Cb 0.35 -0.11 0.00 0.00 -0.64 0.00 0.00 41.12 40.72 3e1c n ASP 20 CO 0.00 0.00 0.00 0.35 0.13 0.00 0.00 177.20 177.68 3e1c n THR 21 N -1.11 0.45 -1.43 -3.53 -2.24 -1.26 -0.58 114.28 104.57 3e1c n THR 21 Ca 0.12 0.47 0.00 0.00 -2.27 0.00 0.00 64.05 62.37 3e1c n THR 21 Cb 0.10 -1.47 0.00 0.00 -2.10 0.00 0.00 70.33 66.86 3e1c n THR 21 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3e1c n GLY 22 N -1.09 -1.38 3.92 3.38 0.00 -1.26 -4.78 105.19 103.99 3e1c n GLY 22 Ca 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.76 3e1c n GLY 22 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3e1c s SER 23 N -0.23 6.04 0.32 1.61 0.15 0.25 -4.67 113.70 117.17 3e1c s SER 23 Ca 0.00 0.67 0.10 0.00 0.70 0.00 0.00 55.95 57.42 3e1c s SER 23 Cb 0.00 -1.95 0.92 0.00 -1.71 0.00 0.00 66.02 63.28 3e1c s SER 23 CO 0.00 -0.65 1.69 0.71 1.20 0.00 0.00 173.24 176.19 3e1c h THR 24 N 0.27 0.42 -0.12 6.45 1.35 -1.98 0.33 112.91 119.62 3e1c h THR 24 Ca -0.47 -0.14 -0.23 0.00 -0.55 0.00 0.00 66.41 65.02 3e1c h THR 24 Cb 1.23 -0.04 0.01 0.00 -1.73 0.00 0.00 68.15 67.62 3e1c h THR 24 CO 0.60 0.08 -0.80 -0.33 -0.25 0.00 0.00 175.52 174.82 3e1c h GLU 25 N 0.42 0.76 -0.37 4.72 5.08 -1.94 -1.98 114.58 121.27 3e1c h GLU 25 Ca 0.66 -0.65 -0.09 0.00 -1.00 0.00 0.00 59.36 58.27 3e1c h GLU 25 Cb 1.36 0.15 -0.01 0.00 0.50 0.00 0.00 28.75 30.75 3e1c h GLU 25 CO -0.55 1.26 -0.14 0.28 -1.00 0.00 0.00 179.01 178.86 3e1c h VAL 26 N 0.48 1.28 -0.53 3.13 2.07 -1.37 -2.07 116.25 119.24 3e1c h VAL 26 Ca -0.07 -1.24 0.09 0.00 0.82 0.00 0.00 66.70 66.30 3e1c h VAL 26 Cb 1.44 1.30 -0.07 0.00 -1.52 0.00 0.00 31.29 32.44 3e1c h VAL 26 CO 0.16 0.41 0.11 1.56 0.02 0.00 0.00 177.57 179.84 3e1c h GLN 27 N 0.55 0.24 -0.78 1.57 4.20 -1.10 -1.57 115.11 118.22 3e1c h GLN 27 Ca 0.09 -0.01 -0.05 0.00 0.06 0.00 0.00 58.65 58.73 3e1c h GLN 27 Cb 0.67 -0.05 -0.03 0.00 0.30 0.00 0.00 27.48 28.36 3e1c h GLN 27 CO 0.05 0.16 0.28 0.28 -0.67 0.00 0.00 178.83 178.93 3e1c h VAL 28 N 0.25 1.26 -0.06 -0.54 2.07 -1.33 -0.29 116.25 117.61 3e1c h VAL 28 Ca 0.27 -0.87 -0.14 0.00 0.82 0.00 0.00 66.70 66.78 3e1c h VAL 28 Cb 0.37 0.36 -0.01 0.00 -1.52 0.00 0.00 31.29 30.48 3e1c h VAL 28 CO -0.35 0.35 -0.61 0.00 0.02 0.00 0.00 177.57 176.98 3e1c h ALA 29 N 1.15 0.86 0.33 1.67 0.00 -1.18 0.22 119.26 122.32 3e1c h ALA 29 Ca 0.26 -0.55 -0.02 0.00 0.00 0.00 0.00 54.91 54.60 3e1c h ALA 29 Cb 0.26 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.96 3e1c h ALA 29 CO -0.02 0.73 -0.16 1.25 0.00 0.00 0.00 179.25 181.06 3e1c h LEU 30 N 0.15 -0.38 -0.69 0.00 5.85 -1.29 -0.69 115.31 118.27 3e1c h LEU 30 Ca -0.01 0.01 0.11 0.00 0.84 0.00 0.00 57.88 58.84 3e1c h LEU 30 Cb 1.11 0.10 -0.12 0.00 0.37 0.00 0.00 40.66 42.11 3e1c h LEU 30 CO 0.09 -0.07 -0.37 -0.07 -0.34 0.00 0.00 178.44 177.68 3e1c h LEU 31 N -0.84 -1.31 0.21 2.25 4.07 -1.04 0.12 115.31 118.77 3e1c h LEU 31 Ca -0.05 0.25 0.01 0.00 0.08 0.00 0.00 57.88 58.17 3e1c h LEU 31 Cb 0.34 0.65 -0.04 0.00 1.08 0.00 0.00 40.66 42.69 3e1c h LEU 31 CO 0.07 -0.31 -0.51 0.74 -1.08 0.00 0.00 178.44 177.35 3e1c h THR 32 N -0.14 0.00 -1.00 0.22 2.02 -0.62 -0.22 112.91 113.18 3e1c h THR 32 Ca 0.24 0.00 0.11 0.00 0.77 0.00 0.00 66.41 67.53 3e1c h THR 32 Cb 0.56 0.00 -0.08 0.00 -1.74 0.00 0.00 68.15 66.89 3e1c h THR 32 CO -0.75 0.00 0.63 0.00 0.37 0.00 0.00 175.52 175.76 3e1c h ALA 33 N -0.65 1.47 -0.23 6.16 0.00 -0.89 -1.18 119.26 123.94 3e1c h ALA 33 Ca -0.02 0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.85 3e1c h ALA 33 Cb 0.77 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.33 3e1c h ALA 33 CO -0.23 0.27 -0.07 0.37 0.00 0.00 0.00 179.25 179.58 3e1c h GLN 34 N 1.02 0.45 -0.61 0.00 4.15 0.01 0.15 115.11 120.28 3e1c h GLN 34 Ca 0.48 -0.18 0.12 0.00 0.77 0.00 0.00 58.65 59.84 3e1c h GLN 34 Cb 0.42 -0.02 -0.12 0.00 0.21 0.00 0.00 27.48 27.97 3e1c h GLN 34 CO -0.25 0.70 -0.18 0.82 -1.93 0.00 0.00 178.83 178.00 3e1c h ILE 35 N 0.18 0.35 -0.31 2.39 2.04 -0.97 -0.75 117.51 120.44 3e1c h ILE 35 Ca 0.06 0.00 -0.12 0.00 1.00 0.00 0.00 64.86 65.80 3e1c h ILE 35 Cb 0.55 0.35 -0.01 0.00 -0.74 0.00 0.00 36.82 36.96 3e1c h ILE 35 CO 0.03 0.00 -0.29 -1.13 0.00 0.00 0.00 178.15 176.75 3e1c h ASN 36 N -0.03 0.67 -0.48 1.72 -1.24 -1.04 -2.72 115.58 112.47 3e1c h ASN 36 Ca 0.29 -0.26 0.06 0.00 0.71 0.00 0.00 56.30 57.10 3e1c h ASN 36 Cb 0.47 -0.19 -0.05 0.00 0.73 0.00 0.00 38.32 39.29 3e1c h ASN 36 CO -0.65 0.93 0.20 -0.74 -1.29 0.00 0.00 177.43 175.88 3e1c h HIS 37 N 0.56 0.36 -0.50 0.67 2.76 -0.56 -3.16 115.15 115.29 3e1c h HIS 37 Ca 0.07 0.02 -0.12 0.00 -2.20 0.00 0.00 60.37 58.14 3e1c h HIS 37 Cb 0.78 -0.09 -0.02 0.00 1.55 0.00 0.00 27.41 29.64 3e1c h HIS 37 CO 0.04 0.14 -0.16 -0.07 -1.30 0.00 0.00 177.93 176.58 3e1c h LEU 38 N 0.40 0.98 -1.91 0.26 3.38 -1.09 -1.91 115.31 115.42 3e1c h LEU 38 Ca 0.22 -0.35 0.32 0.00 0.09 0.00 0.00 57.88 58.17 3e1c h LEU 38 Cb 0.20 -0.27 -0.04 0.00 0.09 0.00 0.00 40.66 40.64 3e1c h LEU 38 CO -0.20 1.13 0.86 -0.61 0.09 0.00 0.00 178.44 179.70 3e1c h GLN 39 N 0.85 0.00 -0.51 1.13 4.15 -1.44 -1.15 115.11 118.14 3e1c h GLN 39 Ca 0.12 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.54 3e1c h GLN 39 Cb 0.73 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.42 3e1c h GLN 39 CO 0.06 0.00 0.00 0.41 -1.93 0.00 0.00 178.83 177.37 3e1c n GLY 40 N -1.73 1.38 0.00 2.39 0.00 -0.72 -3.91 105.19 102.60 3e1c n GLY 40 Ca 0.24 -0.55 0.00 0.00 0.00 0.00 0.00 46.02 45.71 3e1c n GLY 40 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 3e1c n HIS 41 N 0.99 0.00 0.22 1.61 1.44 -0.86 -4.95 115.22 113.67 3e1c n HIS 41 Ca 0.17 0.00 0.15 0.00 -2.01 0.00 0.00 57.72 56.03 3e1c n HIS 41 Cb 0.43 0.00 0.80 0.00 0.12 0.00 0.00 29.99 31.34 3e1c n HIS 41 CO 0.00 0.00 0.00 0.74 -2.81 0.00 0.00 176.34 174.27 3e1c h PHE 42 N 0.00 0.00 0.00 -1.40 0.04 -1.35 -3.03 116.94 111.20 3e1c h PHE 42 Ca 0.00 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.77 3e1c h PHE 42 Cb 0.25 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.40 3e1c h PHE 42 CO 0.00 0.00 0.07 0.00 -0.60 0.00 0.00 178.31 177.78 3e1c n ALA 43 N -2.41 0.89 -2.86 2.45 0.00 -1.26 -4.78 120.51 112.54 3e1c n ALA 43 Ca 0.00 0.04 -0.22 0.00 0.00 0.00 0.00 53.44 53.25 3e1c n ALA 43 Cb 0.24 -0.93 0.08 0.00 0.00 0.00 0.00 19.45 18.83 3e1c n ALA 43 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 3e1c n GLU 44 N -1.59 0.35 0.00 0.00 1.02 -1.15 -4.74 120.64 114.54 3e1c n GLU 44 Ca -0.00 -2.79 0.00 0.00 -0.02 0.00 0.00 57.16 54.35 3e1c n GLU 44 Cb 0.07 -0.38 0.00 0.00 -0.02 0.00 0.00 31.44 31.11 3e1c n GLU 44 CO 0.00 0.00 0.00 0.72 1.18 0.00 0.00 177.13 179.03 3e1c n HIS 45 N -2.42 0.00 0.00 -0.32 8.25 -1.26 -4.79 115.22 114.68 3e1c n HIS 45 Ca 0.15 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.61 3e1c n HIS 45 Cb 0.56 -0.29 0.00 0.00 1.12 0.00 0.00 29.99 31.38 3e1c n HIS 45 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 3e1c n LYS 46 N -1.14 0.00 0.00 -0.41 5.02 -1.26 -4.20 118.16 116.17 3e1c n LYS 46 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 3e1c n LYS 46 Cb 0.00 -3.03 0.00 0.00 -0.02 0.00 0.00 35.03 31.98 3e1c n LYS 46 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 3e1c n LYS 47 N -1.49 2.34 0.00 1.97 4.76 -1.26 -5.01 118.16 119.47 3e1c n LYS 47 Ca 0.00 -1.28 0.00 0.00 -2.87 0.00 0.00 58.31 54.16 3e1c n LYS 47 Cb 0.00 -0.90 0.00 0.00 -1.84 0.00 0.00 35.03 32.29 3e1c n LYS 47 CO 0.00 0.00 0.00 -0.40 -1.37 0.00 0.00 177.40 175.63 3e1c n ASP 48 N -0.39 0.85 -0.38 4.39 5.68 -1.26 -4.52 116.55 120.91 3e1c n ASP 48 Ca 0.00 -0.70 0.30 0.00 -0.50 0.00 0.00 54.79 53.89 3e1c n ASP 48 Cb 0.30 -0.17 0.58 0.00 -1.14 0.00 0.00 41.12 40.69 3e1c n ASP 48 CO 0.00 0.00 0.00 0.45 -1.33 0.00 0.00 177.20 176.32 3e1c h HIS 49 N 1.12 0.59 0.00 2.11 3.86 -1.97 -0.51 115.15 120.35 3e1c h HIS 49 Ca 0.00 0.02 0.00 0.00 -1.16 0.00 0.00 60.37 59.23 3e1c h HIS 49 Cb 0.30 -0.16 0.00 0.00 1.06 0.00 0.00 27.41 28.61 3e1c h HIS 49 CO 0.00 -0.09 0.05 1.58 0.86 0.00 0.00 177.93 180.33 3e1c n HIS 50 N -4.67 0.62 0.00 2.45 -0.00 -1.26 -3.26 115.22 109.10 3e1c n HIS 50 Ca 0.32 0.33 0.00 0.00 -0.00 0.00 0.00 57.72 58.36 3e1c n HIS 50 Cb 1.17 -0.99 0.00 0.00 -0.00 0.00 0.00 29.99 30.17 3e1c n HIS 50 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.34 176.79 3e1c n SER 51 N -2.16 3.50 0.31 0.26 2.88 -0.25 -4.79 113.62 113.38 3e1c n SER 51 Ca -0.01 0.00 0.14 0.00 -1.33 0.00 0.00 58.87 57.66 3e1c n SER 51 Cb 0.07 0.20 0.73 0.00 -0.75 0.00 0.00 64.21 64.46 3e1c n SER 51 CO 0.00 0.00 0.00 0.08 -1.23 0.00 0.00 175.04 173.89 3e1c h ARG 52 N 0.00 0.00 0.00 -1.46 0.11 -1.39 -2.64 114.38 108.99 3e1c h ARG 52 Ca 0.00 0.00 -0.00 0.00 0.10 0.00 0.00 59.98 60.08 3e1c h ARG 52 Cb 0.78 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.86 3e1c h ARG 52 CO 0.00 0.00 -0.00 -0.09 0.10 0.00 0.00 179.97 179.98 3e1c h ARG 53 N 0.00 -0.00 0.00 0.08 1.12 -1.86 -0.07 114.38 113.65 3e1c h ARG 53 Ca 0.00 0.00 -0.09 0.00 -1.11 0.00 0.00 59.98 58.78 3e1c h ARG 53 Cb 0.71 0.00 -0.01 0.00 -0.01 0.00 0.00 29.97 30.65 3e1c h ARG 53 CO 0.00 0.68 -0.45 0.78 -3.11 0.00 0.00 179.97 177.87 3e1c h GLY 54 N -0.68 0.00 0.78 2.80 0.00 -1.81 0.24 103.07 104.40 3e1c h GLY 54 Ca -0.00 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.31 3e1c h GLY 54 CO 0.00 0.00 -0.15 -2.00 0.00 0.00 0.00 176.54 174.39 3e1c h LEU 55 N 0.00 -0.36 -0.92 3.11 7.12 -1.56 -2.29 115.31 120.41 3e1c h LEU 55 Ca -0.00 -0.12 0.26 0.00 0.13 0.00 0.00 57.88 58.14 3e1c h LEU 55 Cb 0.96 0.09 -0.16 0.00 -0.53 0.00 0.00 40.66 41.03 3e1c h LEU 55 CO 0.06 -0.08 0.19 0.25 -0.13 0.00 0.00 178.44 178.73 3e1c h LEU 56 N -0.65 -0.13 0.06 2.25 5.85 -0.66 -2.22 115.31 119.81 3e1c h LEU 56 Ca -0.04 0.23 0.00 0.00 0.84 0.00 0.00 57.88 58.91 3e1c h LEU 56 Cb 0.46 0.34 -0.01 0.00 0.37 0.00 0.00 40.66 41.81 3e1c h LEU 56 CO 0.07 -0.24 -0.16 -0.09 -0.34 0.00 0.00 178.44 177.68 3e1c h ARG 57 N 0.12 -0.24 -0.40 1.25 1.12 -0.55 0.03 114.38 115.72 3e1c h ARG 57 Ca 0.59 0.02 0.06 0.00 -1.11 0.00 0.00 59.98 59.53 3e1c h ARG 57 Cb 1.23 0.05 -0.02 0.00 -0.01 0.00 0.00 29.97 31.23 3e1c h ARG 57 CO -0.74 -0.16 0.27 0.00 -3.11 0.00 0.00 179.97 176.23 3e1c h MET 58 N -0.25 0.27 0.00 0.20 -0.00 -1.00 -0.46 114.93 113.70 3e1c h MET 58 Ca -0.01 -0.02 0.00 0.00 -0.00 0.00 0.00 59.70 59.68 3e1c h MET 58 Cb 0.24 -0.06 0.00 0.00 -0.00 0.00 0.00 31.60 31.78 3e1c h MET 58 CO -0.08 0.18 -1.18 1.55 -0.00 0.00 0.00 176.91 177.38 3e1c n VAL 59 N -4.47 0.47 -0.03 -0.10 3.14 -0.87 -1.01 118.33 115.45 3e1c n VAL 59 Ca 0.05 -0.51 -0.13 0.00 -2.96 0.00 0.00 64.34 60.79 3e1c n VAL 59 Cb 0.27 -0.23 -0.09 0.00 -1.06 0.00 0.00 33.84 32.73 3e1c n VAL 59 CO 0.00 0.00 0.00 0.28 -6.46 0.00 0.00 176.83 170.65 3e1c h SER 60 N 0.00 0.15 -0.86 6.55 0.02 -0.76 -3.25 113.55 115.40 3e1c h SER 60 Ca 0.00 -0.50 0.07 0.00 -0.84 0.00 0.00 61.79 60.52 3e1c h SER 60 Cb 0.97 -0.04 -0.06 0.00 0.14 0.00 0.00 62.40 63.41 3e1c h SER 60 CO 0.00 0.62 0.56 1.56 -1.14 0.00 0.00 176.83 178.43 3e1c h GLN 61 N -0.31 0.91 -0.90 3.45 4.20 -1.09 -2.21 115.11 119.15 3e1c h GLN 61 Ca 0.01 -0.05 0.25 0.00 0.06 0.00 0.00 58.65 58.91 3e1c h GLN 61 Cb 0.58 -0.20 -0.14 0.00 0.30 0.00 0.00 27.48 28.02 3e1c h GLN 61 CO 0.02 0.60 0.33 -0.09 -0.67 0.00 0.00 178.83 179.01 3e1c h ARG 62 N 0.93 0.27 -0.31 1.46 2.43 -1.20 0.15 114.38 118.11 3e1c h ARG 62 Ca 0.38 -0.02 -0.07 0.00 -0.81 0.00 0.00 59.98 59.46 3e1c h ARG 62 Cb 0.26 -0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 29.74 3e1c h ARG 62 CO -0.14 0.18 -0.09 -0.09 -1.51 0.00 0.00 179.97 178.32 3e1c h ARG 63 N 0.27 0.60 0.10 0.20 2.43 -1.49 -2.76 114.38 113.74 3e1c h ARG 63 Ca 0.58 -0.24 -0.01 0.00 -0.81 0.00 0.00 59.98 59.51 3e1c h ARG 63 Cb 1.19 -0.03 0.00 0.00 -0.42 0.00 0.00 29.97 30.71 3e1c h ARG 63 CO -0.62 0.80 -0.05 0.87 -1.51 0.00 0.00 179.97 179.46 3e1c h LYS 64 N 0.37 -0.14 -0.84 0.20 1.57 -0.76 -2.90 116.57 114.07 3e1c h LYS 64 Ca 0.08 0.01 0.19 0.00 -1.87 0.00 0.00 60.65 59.06 3e1c h LYS 64 Cb 0.58 0.03 -0.15 0.00 0.08 0.00 0.00 32.23 32.77 3e1c h LYS 64 CO 0.03 0.10 -0.07 1.25 -0.57 0.00 0.00 179.45 180.19 3e1c h LEU 65 N -0.35 -0.53 -0.06 2.94 5.85 -0.85 -0.07 115.31 122.24 3e1c h LEU 65 Ca -0.01 0.24 -0.00 0.00 0.84 0.00 0.00 57.88 58.94 3e1c h LEU 65 Cb 0.29 0.44 -0.00 0.00 0.37 0.00 0.00 40.66 41.76 3e1c h LEU 65 CO 0.02 -0.25 0.02 0.25 -0.34 0.00 0.00 178.44 178.14 3e1c h LEU 66 N 0.05 0.08 -1.22 2.25 5.85 -1.40 -1.56 115.31 119.36 3e1c h LEU 66 Ca 0.45 -0.15 -0.06 0.00 0.84 0.00 0.00 57.88 58.96 3e1c h LEU 66 Cb 0.80 -0.02 -0.01 0.00 0.37 0.00 0.00 40.66 41.80 3e1c h LEU 66 CO -0.80 0.21 -0.11 -0.78 -0.34 0.00 0.00 178.44 176.62 3e1c h ASP 67 N -0.06 0.38 -0.44 1.25 3.58 -1.25 -1.67 116.42 118.20 3e1c h ASP 67 Ca 0.02 -0.09 -0.03 0.00 0.42 0.00 0.00 57.03 57.35 3e1c h ASP 67 Cb 0.15 -0.10 -0.02 0.00 1.72 0.00 0.00 39.33 41.08 3e1c h ASP 67 CO -0.00 0.53 0.17 0.22 -2.88 0.00 0.00 179.24 177.28 3e1c h TYR 68 N 0.38 0.68 -0.36 0.28 3.20 -0.82 -2.89 116.97 117.44 3e1c h TYR 68 Ca 0.07 -0.05 -0.01 0.00 3.14 0.00 0.00 58.73 61.88 3e1c h TYR 68 Cb 0.43 -0.20 -0.02 0.00 1.54 0.00 0.00 36.73 38.48 3e1c h TYR 68 CO 0.01 0.59 0.16 1.25 -1.64 0.00 0.00 178.16 178.53 3e1c h LEU 69 N 0.57 0.44 0.23 2.82 5.85 -1.03 -2.19 115.31 122.00 3e1c h LEU 69 Ca 0.15 -0.04 -0.01 0.00 0.84 0.00 0.00 57.88 58.82 3e1c h LEU 69 Cb 0.21 -0.11 0.00 0.00 0.37 0.00 0.00 40.66 41.13 3e1c h LEU 69 CO -0.01 0.39 -0.11 0.50 -0.34 0.00 0.00 178.44 178.87 3e1c h LYS 70 N 0.50 -0.30 -0.13 1.25 3.64 -1.30 0.29 116.57 120.52 3e1c h LYS 70 Ca 0.13 0.02 -0.09 0.00 -1.27 0.00 0.00 60.65 59.44 3e1c h LYS 70 Cb 0.07 0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 31.95 3e1c h LYS 70 CO -0.02 -0.18 -0.33 -0.09 -2.27 0.00 0.00 179.45 176.56 3e1c h ARG 71 N -0.34 0.25 0.00 1.90 2.43 -1.30 -3.18 114.38 114.14 3e1c h ARG 71 Ca -0.03 -0.10 -0.01 0.00 -0.81 0.00 0.00 59.98 59.03 3e1c h ARG 71 Cb 0.26 -0.01 -0.00 0.00 -0.42 0.00 0.00 29.97 29.80 3e1c h ARG 71 CO 0.05 0.56 -0.07 0.87 -1.51 0.00 0.00 179.97 179.87 3e1c h LYS 72 N 0.22 0.00 -1.09 0.20 1.79 -1.34 -3.46 116.57 112.89 3e1c h LYS 72 Ca 0.03 0.00 -0.39 0.00 -2.18 0.00 0.00 60.65 58.10 3e1c h LYS 72 Cb 0.69 0.00 -0.28 0.00 -1.58 0.00 0.00 32.23 31.06 3e1c h LYS 72 CO 0.05 0.91 -0.84 -3.47 -1.08 0.00 0.00 179.45 175.02 3e1c n ASP 73 N -4.62 -1.02 -0.33 0.86 2.03 0.10 -5.06 116.55 108.52 3e1c n ASP 73 Ca -0.10 -3.09 0.19 0.00 0.52 0.00 0.00 54.79 52.31 3e1c n ASP 73 Cb 0.45 0.50 0.37 0.00 -0.72 0.00 0.00 41.12 41.72 3e1c n ASP 73 CO 0.00 0.00 0.00 0.55 -1.92 0.00 0.00 177.20 175.83 3e1c n VAL 74 N 1.12 -0.41 1.93 5.18 3.14 -1.20 -1.06 118.33 127.04 3e1c n VAL 74 Ca 0.16 2.08 0.13 0.00 -2.96 0.00 0.00 64.34 63.75 3e1c n VAL 74 Cb 0.61 -3.13 0.75 0.00 -1.06 0.00 0.00 33.84 31.01 3e1c n VAL 74 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 3e1c n ALA 75 N -2.92 2.65 -0.12 1.55 0.00 -1.26 -1.13 120.51 119.28 3e1c n ALA 75 Ca 0.27 -0.20 -0.24 0.00 0.00 0.00 0.00 53.44 53.26 3e1c n ALA 75 Cb 0.89 -1.40 -0.11 0.00 0.00 0.00 0.00 19.45 18.83 3e1c n ALA 75 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 3e1c n ARG 76 N -0.79 0.57 -0.14 0.00 0.63 -0.22 -4.56 116.66 112.16 3e1c n ARG 76 Ca 0.20 0.48 -0.13 0.00 -0.92 0.00 0.00 57.85 57.48 3e1c n ARG 76 Cb 0.12 -1.67 -0.08 0.00 0.45 0.00 0.00 32.46 31.28 3e1c n ARG 76 CO 0.00 0.00 0.00 -0.92 -2.51 0.00 0.00 177.63 174.20 3e1c h TYR 77 N -1.00 -1.56 -0.02 -0.14 3.20 -0.89 -1.15 116.97 115.41 3e1c h TYR 77 Ca -0.46 0.08 0.03 0.00 3.14 0.00 0.00 58.73 61.52 3e1c h TYR 77 Cb 1.40 0.74 -0.06 0.00 1.54 0.00 0.00 36.73 40.35 3e1c h TYR 77 CO 0.04 -0.48 -0.44 1.79 -1.64 0.00 0.00 178.16 177.43 3e1c h THR 78 N -0.38 0.12 -0.87 1.81 1.35 -1.41 -2.40 112.91 111.14 3e1c h THR 78 Ca 0.10 0.00 0.20 0.00 -0.55 0.00 0.00 66.41 66.15 3e1c h THR 78 Cb 0.60 0.12 -0.12 0.00 -1.73 0.00 0.00 68.15 67.02 3e1c h THR 78 CO -0.59 0.00 0.39 -0.09 -0.25 0.00 0.00 175.52 174.97 3e1c h ARG 79 N -0.59 0.44 -0.24 4.72 2.43 -1.73 -0.37 114.38 119.04 3e1c h ARG 79 Ca 0.04 -0.03 -0.03 0.00 -0.81 0.00 0.00 59.98 59.16 3e1c h ARG 79 Cb 0.67 -0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 30.11 3e1c h ARG 79 CO -0.34 0.29 0.04 1.25 -1.51 0.00 0.00 179.97 179.70 3e1c h LEU 80 N 0.45 0.39 -1.08 3.80 5.85 -0.87 -3.24 115.31 120.60 3e1c h LEU 80 Ca 0.52 -0.26 -0.08 0.00 0.84 0.00 0.00 57.88 58.90 3e1c h LEU 80 Cb 0.92 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 41.84 3e1c h LEU 80 CO -0.48 0.55 -0.38 0.16 -0.34 0.00 0.00 178.44 177.95 3e1c h ILE 81 N 0.21 0.98 -0.05 4.05 3.07 -1.23 -2.54 117.51 122.01 3e1c h ILE 81 Ca 0.07 -1.44 0.01 0.00 1.55 0.00 0.00 64.86 65.05 3e1c h ILE 81 Cb 0.33 1.85 -0.00 0.00 -0.27 0.00 0.00 36.82 38.72 3e1c h ILE 81 CO 0.00 0.37 0.13 -0.33 -1.05 0.00 0.00 178.15 177.28 3e1c h GLU 82 N 0.00 0.00 0.00 0.16 4.39 -1.10 -0.55 114.58 117.49 3e1c h GLU 82 Ca -0.00 0.00 -0.40 0.00 0.34 0.00 0.00 59.36 59.30 3e1c h GLU 82 Cb 0.82 0.00 -0.07 0.00 -0.10 0.00 0.00 28.75 29.40 3e1c h GLU 82 CO 0.05 0.00 -2.43 0.54 -1.16 0.00 0.00 179.01 176.01 3e1c n ARG 83 N -3.28 0.60 -0.00 2.33 1.74 -1.16 -4.77 116.66 112.12 3e1c n ARG 83 Ca -0.02 0.18 0.02 0.00 -0.77 0.00 0.00 57.85 57.26 3e1c n ARG 83 Cb 0.21 -1.48 -0.03 0.00 -1.02 0.00 0.00 32.46 30.14 3e1c n ARG 83 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 3e1c n LEU 84 N -3.54 0.07 0.00 0.55 4.77 -0.97 -5.08 117.00 112.80 3e1c n LEU 84 Ca -0.46 -0.16 0.00 0.00 -0.03 0.00 0.00 56.01 55.35 3e1c n LEU 84 Cb 0.93 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 42.02 3e1c n LEU 84 CO 0.17 0.02 0.00 0.61 -1.33 0.00 0.00 177.39 176.86 3e1c n GLY 85 N 1.86 1.11 2.00 -0.72 0.00 -0.21 -4.91 105.19 104.31 3e1c n GLY 85 Ca -0.00 0.34 -0.03 0.00 0.00 0.00 0.00 46.02 46.33 3e1c n GLY 85 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 3e1c n LEU 86 N 0.00 -0.03 0.00 0.99 -0.00 -1.26 -4.57 117.00 112.13 3e1c n LEU 86 Ca 0.00 0.08 0.00 0.00 -0.00 0.00 0.00 56.01 56.09 3e1c n LEU 86 Cb 0.00 -1.23 0.00 0.00 -0.00 0.00 0.00 43.42 42.19 3e1c n LEU 86 CO 0.00 -0.35 0.19 0.54 -0.00 0.00 0.00 177.39 177.77 3e1c n ARG 87 N -0.44 0.00 0.00 1.47 1.74 -1.26 -4.95 116.66 113.22 3e1c n ARG 87 Ca -0.03 0.00 0.05 0.00 -0.77 0.00 0.00 57.85 57.10 3e1c n ARG 87 Cb 0.20 -1.39 0.29 0.00 -1.02 0.00 0.00 32.46 30.53 3e1c n ARG 87 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65