#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ctn n ASP 3 N 0.00 -6.08 0.00 0.00 8.00 -1.26 -4.59 116.55 112.62 2ctn n ASP 3 Ca 0.00 0.45 0.00 0.00 0.71 0.00 0.00 54.79 55.95 2ctn n ASP 3 Cb 0.00 -3.32 0.00 0.00 -0.02 0.00 0.00 41.12 37.78 2ctn n ASP 3 CO 0.00 0.00 0.00 -0.38 -0.39 0.00 0.00 177.20 176.43 2ctn n ILE 4 N -3.22 0.00 0.02 0.53 -0.00 -1.26 -4.78 119.36 110.65 2ctn n ILE 4 Ca 0.00 0.00 -0.13 0.00 -0.00 0.00 0.00 62.75 62.62 2ctn n ILE 4 Cb 0.62 -0.85 -0.02 0.00 -0.00 0.00 0.00 39.64 39.39 2ctn n ILE 4 CO 0.00 0.00 0.00 1.88 -0.00 0.00 0.00 176.55 178.43 2ctn h TYR 5 N 0.00 0.78 -0.78 1.39 0.05 -1.97 -3.24 116.97 113.20 2ctn h TYR 5 Ca 0.00 -0.35 0.16 0.00 0.05 0.00 0.00 58.73 58.58 2ctn h TYR 5 Cb 0.00 -0.12 -0.15 0.00 1.01 0.00 0.00 36.73 37.48 2ctn h TYR 5 CO 0.00 1.15 -0.18 -0.22 -1.05 0.00 0.00 178.16 177.85 2ctn h LYS 6 N 0.38 0.00 -1.19 4.88 3.11 -1.91 0.85 116.57 122.70 2ctn h LYS 6 Ca -0.05 -0.00 0.34 0.00 -2.81 0.00 0.00 60.65 58.14 2ctn h LYS 6 Cb 1.38 -0.00 -0.10 0.00 -1.00 0.00 0.00 32.23 32.52 2ctn h LYS 6 CO 0.15 0.00 0.78 0.00 -2.81 0.00 0.00 179.45 177.57 2ctn h ALA 7 N 1.77 2.59 0.23 5.00 0.00 -1.81 0.32 119.26 127.37 2ctn h ALA 7 Ca 0.38 0.06 -0.34 0.00 0.00 0.00 0.00 54.91 55.00 2ctn h ALA 7 Cb 0.58 0.10 0.03 0.00 0.00 0.00 0.00 17.79 18.50 2ctn h ALA 7 CO -0.79 -1.07 -1.55 0.00 0.00 0.00 0.00 179.25 175.84 2ctn h ALA 8 N 1.56 -0.06 0.00 0.00 0.00 0.51 -3.27 119.26 118.00 2ctn h ALA 8 Ca 0.67 -0.94 -0.02 0.00 0.00 0.00 0.00 54.91 54.62 2ctn h ALA 8 Cb 2.05 0.25 -0.00 0.00 0.00 0.00 0.00 17.79 20.09 2ctn h ALA 8 CO -0.28 0.80 -0.11 0.28 0.00 0.00 0.00 179.25 179.95 2ctn h VAL 9 N 0.13 0.78 0.00 0.00 2.07 0.68 -0.92 116.25 118.99 2ctn h VAL 9 Ca -0.28 -0.40 0.00 0.00 0.82 0.00 0.00 66.70 66.84 2ctn h VAL 9 Cb 2.15 1.24 0.00 0.00 -1.52 0.00 0.00 31.29 33.15 2ctn h VAL 9 CO 0.25 0.10 0.00 1.05 0.02 0.00 0.00 177.57 178.99 2ctn h GLU 10 N 0.00 0.00 -0.01 1.57 -0.00 -0.92 -1.93 114.58 113.29 2ctn h GLU 10 Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 59.36 2ctn h GLU 10 Cb 0.23 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 28.98 2ctn h GLU 10 CO 0.01 0.00 -0.35 1.04 -0.00 0.00 0.00 179.01 179.72 2ctn n GLN 11 N -2.90 0.92 -0.71 1.06 6.02 -0.35 -4.95 117.38 116.46 2ctn n GLN 11 Ca 0.00 -0.63 -0.33 0.00 -0.01 0.00 0.00 57.00 56.04 2ctn n GLN 11 Cb 0.25 -1.49 0.16 0.00 1.02 0.00 0.00 30.24 30.18 2ctn n GLN 11 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 2ctn n LEU 12 N -0.49 -2.26 -4.90 1.08 4.77 -0.73 -4.98 117.00 109.49 2ctn n LEU 12 Ca 0.11 -0.08 -0.27 0.00 -0.03 0.00 0.00 56.01 55.74 2ctn n LEU 12 Cb 0.38 -0.94 -0.04 0.00 -2.33 0.00 0.00 43.42 40.50 2ctn n LEU 12 CO 0.27 -3.10 -0.14 0.42 -1.33 0.00 0.00 177.39 173.51 2ctn s THR 13 N -2.23 5.07 0.64 -5.08 -4.23 -1.26 -4.95 115.64 103.61 2ctn s THR 13 Ca 0.54 -0.78 0.27 0.00 -1.18 0.00 0.00 61.69 60.55 2ctn s THR 13 Cb -0.11 -3.59 0.31 0.00 1.34 0.00 0.00 72.50 70.45 2ctn s THR 13 CO 0.66 -0.08 1.84 -0.08 -0.54 0.00 0.00 174.62 176.43 2ctn h GLU 14 N 2.30 0.00 0.00 3.99 4.81 -1.99 0.72 114.58 124.41 2ctn h GLU 14 Ca -0.48 0.00 -0.09 0.00 -0.13 0.00 0.00 59.36 58.66 2ctn h GLU 14 Cb 1.19 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.56 2ctn h GLU 14 CO 0.67 0.00 -0.41 0.93 -0.73 0.00 0.00 179.01 179.47 2ctn h GLU 15 N 0.00 0.00 0.06 1.92 5.08 -2.00 -2.94 114.58 116.71 2ctn h GLU 15 Ca 0.08 0.00 -0.21 0.00 -1.00 0.00 0.00 59.36 58.23 2ctn h GLU 15 Cb 0.96 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.20 2ctn h GLU 15 CO -0.00 0.41 -1.10 1.96 -1.00 0.00 0.00 179.01 179.28 2ctn h GLN 16 N 0.00 0.14 0.00 2.33 7.50 0.07 -3.09 115.11 122.06 2ctn h GLN 16 Ca -0.00 -0.23 -0.01 0.00 0.50 0.00 0.00 58.65 58.90 2ctn h GLN 16 Cb 1.25 0.09 -0.00 0.00 0.05 0.00 0.00 27.48 28.87 2ctn h GLN 16 CO 0.05 1.11 -0.06 0.87 -1.50 0.00 0.00 178.83 179.31 2ctn h LYS 17 N -0.61 0.00 0.14 1.46 1.57 -1.52 -2.16 116.57 115.45 2ctn h LYS 17 Ca -0.26 0.00 -0.19 0.00 -1.87 0.00 0.00 60.65 58.33 2ctn h LYS 17 Cb 1.50 0.00 0.02 0.00 0.08 0.00 0.00 32.23 33.83 2ctn h LYS 17 CO -0.02 0.06 -0.84 -0.91 -0.57 0.00 0.00 179.45 177.17 2ctn h ASN 18 N 0.00 0.46 0.38 0.86 2.35 -1.62 -2.83 115.58 115.18 2ctn h ASN 18 Ca -0.00 -0.95 -0.04 0.00 -0.55 0.00 0.00 56.30 54.76 2ctn h ASN 18 Cb 0.24 -0.15 -0.01 0.00 0.05 0.00 0.00 38.32 38.45 2ctn h ASN 18 CO 0.01 1.40 -0.18 -0.08 -1.65 0.00 0.00 177.43 176.93 2ctn h GLU 19 N -0.38 0.00 0.00 0.81 4.81 -1.40 -1.69 114.58 116.74 2ctn h GLU 19 Ca -0.15 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.08 2ctn h GLU 19 Cb 1.65 0.00 0.00 0.00 0.63 0.00 0.00 28.75 31.03 2ctn h GLU 19 CO 0.15 0.18 0.00 1.19 -0.73 0.00 0.00 179.01 179.80 2ctn n PHE 20 N -3.82 0.00 -0.32 0.92 3.72 -0.84 -2.27 117.46 114.85 2ctn n PHE 20 Ca -0.02 0.00 0.20 0.00 -0.05 0.00 0.00 57.45 57.58 2ctn n PHE 20 Cb 0.28 -0.37 0.40 0.00 -0.94 0.00 0.00 39.48 38.86 2ctn n PHE 20 CO 0.00 0.00 0.00 0.87 -0.05 0.00 0.00 176.76 177.58 2ctn h LYS 21 N 0.00 0.27 0.85 -1.08 6.56 -1.59 0.57 116.57 122.15 2ctn h LYS 21 Ca 0.00 -0.02 -0.04 0.00 -1.06 0.00 0.00 60.65 59.53 2ctn h LYS 21 Cb 0.00 -0.06 0.01 0.00 -0.57 0.00 0.00 32.23 31.61 2ctn h LYS 21 CO 0.00 0.18 -0.41 0.00 -2.06 0.00 0.00 179.45 177.16 2ctn h ALA 22 N 1.83 -1.15 0.53 3.86 0.00 -1.44 -2.34 119.26 120.55 2ctn h ALA 22 Ca 0.67 -0.26 -0.02 0.00 0.00 0.00 0.00 54.91 55.31 2ctn h ALA 22 Cb 1.46 0.44 -0.02 0.00 0.00 0.00 0.00 17.79 19.68 2ctn h ALA 22 CO -0.63 -1.10 -0.44 0.00 0.00 0.00 0.00 179.25 177.07 2ctn h ALA 23 N -1.15 -1.03 -0.99 0.00 0.00 -0.75 -1.40 119.26 113.95 2ctn h ALA 23 Ca -0.12 -0.18 0.35 0.00 0.00 0.00 0.00 54.91 54.96 2ctn h ALA 23 Cb 0.89 0.60 -0.17 0.00 0.00 0.00 0.00 17.79 19.11 2ctn h ALA 23 CO 0.19 -1.11 0.42 0.35 0.00 0.00 0.00 179.25 179.11 2ctn h PHE 24 N -0.96 0.65 -0.23 0.00 3.04 -1.00 0.78 116.94 119.22 2ctn h PHE 24 Ca -0.06 0.05 -0.20 0.00 3.98 0.00 0.00 57.97 61.74 2ctn h PHE 24 Cb 0.82 -0.12 0.00 0.00 2.56 0.00 0.00 35.95 39.21 2ctn h PHE 24 CO -0.19 -0.37 -0.64 0.22 -2.02 0.00 0.00 178.31 175.31 2ctn h ASP 25 N 0.10 0.95 1.61 0.41 3.58 -0.82 -1.00 116.42 121.25 2ctn h ASP 25 Ca 0.75 -0.55 0.00 0.00 0.42 0.00 0.00 57.03 57.64 2ctn h ASP 25 Cb 1.82 -0.28 0.00 0.00 1.72 0.00 0.00 39.33 42.59 2ctn h ASP 25 CO -0.75 1.35 -0.07 0.40 -2.88 0.00 0.00 179.24 177.29 2ctn h ILE 26 N 0.61 0.00 0.00 2.25 2.04 0.10 -3.26 117.51 119.25 2ctn h ILE 26 Ca -0.01 -0.69 0.00 0.00 1.00 0.00 0.00 64.86 65.16 2ctn h ILE 26 Cb 1.25 1.64 0.00 0.00 -0.74 0.00 0.00 36.82 38.98 2ctn h ILE 26 CO 0.14 0.00 -1.47 0.49 0.00 0.00 0.00 178.15 177.31 2ctn n PHE 27 N -2.57 0.00 1.61 1.37 3.72 0.22 -4.11 117.46 117.70 2ctn n PHE 27 Ca 0.05 0.00 0.15 0.00 -0.05 0.00 0.00 57.45 57.59 2ctn n PHE 27 Cb 0.47 -0.24 0.67 0.00 -0.94 0.00 0.00 39.48 39.45 2ctn n PHE 27 CO 0.00 0.00 0.00 0.28 -0.05 0.00 0.00 176.76 176.99 2ctn n VAL 28 N -1.86 0.00 -0.22 -4.37 0.31 -0.39 -3.93 118.33 107.87 2ctn n VAL 28 Ca 0.00 -0.12 0.25 0.00 -0.01 0.00 0.00 64.34 64.46 2ctn n VAL 28 Cb 0.44 0.04 0.62 0.00 -0.91 0.00 0.00 33.84 34.03 2ctn n VAL 28 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 2ctn h LEU 29 N 1.12 0.20 -1.63 7.52 -0.00 -1.71 1.12 115.31 121.92 2ctn h LEU 29 Ca 0.00 0.03 0.00 0.00 -0.00 0.00 0.00 57.88 57.91 2ctn h LEU 29 Cb 0.31 -0.01 0.00 0.00 -0.00 0.00 0.00 40.66 40.96 2ctn h LEU 29 CO 0.00 0.07 0.00 0.61 -0.00 0.00 0.00 178.44 179.12 2ctn n GLY 30 N -1.62 0.81 0.00 0.83 0.00 -1.25 -4.92 105.19 99.03 2ctn n GLY 30 Ca 0.20 -0.59 0.00 0.00 0.00 0.00 0.00 46.02 45.63 2ctn n GLY 30 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2ctn n ALA 31 N 0.90 0.00 0.00 4.61 0.00 0.39 -5.04 120.51 121.36 2ctn n ALA 31 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.61 2ctn n ALA 31 Cb 0.49 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.94 2ctn n ALA 31 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 2ctn n GLU 32 N -0.78 0.00 0.00 0.00 2.13 -1.26 -4.88 120.64 115.85 2ctn n GLU 32 Ca 0.00 0.00 0.10 0.00 0.66 0.00 0.00 57.16 57.92 2ctn n GLU 32 Cb 0.00 -0.29 0.07 0.00 0.27 0.00 0.00 31.44 31.49 2ctn n GLU 32 CO 0.00 0.00 0.00 -3.47 -0.41 0.00 0.00 177.13 173.25 2ctn n ASP 33 N -1.44 2.56 -0.42 4.31 2.03 -1.26 -4.96 116.55 117.36 2ctn n ASP 33 Ca 0.00 -1.78 0.00 0.00 0.52 0.00 0.00 54.79 53.53 2ctn n ASP 33 Cb 0.00 0.07 0.00 0.00 -0.72 0.00 0.00 41.12 40.47 2ctn n ASP 33 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2ctn n GLY 34 N 1.16 0.48 0.00 0.27 0.00 -1.26 -5.10 105.19 100.74 2ctn n GLY 34 Ca 0.11 -0.20 0.00 0.00 0.00 0.00 0.00 46.02 45.93 2ctn n GLY 34 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2ctn n SER 35 N -0.42 0.00 -3.35 1.61 3.41 -1.26 -4.79 113.62 108.82 2ctn n SER 35 Ca 0.00 -0.42 -0.10 0.00 -0.26 0.00 0.00 58.87 58.09 2ctn n SER 35 Cb 0.21 0.00 -0.08 0.00 -0.26 0.00 0.00 64.21 64.08 2ctn n SER 35 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 2ctn s ILE 36 N -2.21 -0.58 0.58 -1.33 1.01 -0.10 -4.73 121.20 113.84 2ctn s ILE 36 Ca 0.00 -0.14 -0.13 0.00 0.00 0.00 0.00 60.65 60.38 2ctn s ILE 36 Cb 0.00 -0.85 -0.05 0.00 0.01 0.00 0.00 42.46 41.57 2ctn s ILE 36 CO 0.00 -0.18 1.01 -0.55 0.00 0.00 0.00 174.94 175.22 2ctn s SER 37 N 2.52 6.38 0.62 3.58 0.15 -1.26 -0.62 113.70 125.06 2ctn s SER 37 Ca 0.12 1.47 0.27 0.00 0.70 0.00 0.00 55.95 58.51 2ctn s SER 37 Cb -0.15 -2.48 1.39 0.00 -1.71 0.00 0.00 66.02 63.07 2ctn s SER 37 CO -0.19 -0.76 1.80 0.00 1.20 0.00 0.00 173.24 175.29 2ctn h THR 38 N 0.15 0.20 0.00 6.45 1.03 -1.88 2.44 112.91 121.30 2ctn h THR 38 Ca -0.45 0.00 -0.14 0.00 -0.01 0.00 0.00 66.41 65.81 2ctn h THR 38 Cb 1.19 0.54 -0.02 0.00 -1.07 0.00 0.00 68.15 68.79 2ctn h THR 38 CO 0.62 0.00 -0.88 0.07 -0.01 0.00 0.00 175.52 175.32 2ctn h LYS 39 N 0.00 0.00 0.00 0.00 5.09 -1.90 -2.96 116.57 116.80 2ctn h LYS 39 Ca 0.16 0.00 -0.22 0.00 0.09 0.00 0.00 60.65 60.68 2ctn h LYS 39 Cb 1.22 0.00 -0.04 0.00 0.10 0.00 0.00 32.23 33.50 2ctn h LYS 39 CO -0.00 0.48 -2.04 -1.91 -2.09 0.00 0.00 179.45 173.89 2ctn n GLU 40 N -3.12 1.08 0.14 0.07 4.07 0.29 -4.40 120.64 118.77 2ctn n GLU 40 Ca -0.02 -0.05 0.02 0.00 -0.06 0.00 0.00 57.16 57.04 2ctn n GLU 40 Cb 0.80 -1.42 0.05 0.00 -0.06 0.00 0.00 31.44 30.80 2ctn n GLU 40 CO 0.00 0.00 0.00 1.25 -0.06 0.00 0.00 177.13 178.32 2ctn h LEU 41 N 0.00 0.00 -1.13 4.31 6.46 0.36 -3.26 115.31 122.04 2ctn h LEU 41 Ca -0.32 0.00 0.32 0.00 -0.12 0.00 0.00 57.88 57.76 2ctn h LEU 41 Cb 1.68 0.00 -0.13 0.00 -0.73 0.00 0.00 40.66 41.47 2ctn h LEU 41 CO 0.02 0.54 0.64 1.23 -0.62 0.00 0.00 178.44 180.25 2ctn h GLY 42 N 3.26 1.79 2.00 3.75 0.00 -1.67 2.09 103.07 114.29 2ctn h GLY 42 Ca -0.01 -0.22 -0.06 0.00 0.00 0.00 0.00 47.33 47.04 2ctn h GLY 42 CO 0.07 -0.39 -0.29 1.70 0.00 0.00 0.00 176.54 177.63 2ctn h LYS 43 N 0.32 0.00 0.01 4.80 1.63 -1.85 -3.19 116.57 118.30 2ctn h LYS 43 Ca 0.72 0.00 -0.00 0.00 -0.85 0.00 0.00 60.65 60.52 2ctn h LYS 43 Cb 1.75 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 33.38 2ctn h LYS 43 CO -0.51 0.29 -0.01 0.28 -3.45 0.00 0.00 179.45 176.05 2ctn h VAL 44 N 0.00 1.50 -0.78 2.00 2.07 0.32 -3.22 116.25 118.15 2ctn h VAL 44 Ca -0.00 -1.63 0.18 0.00 0.82 0.00 0.00 66.70 66.06 2ctn h VAL 44 Cb 0.76 2.59 -0.12 0.00 -1.52 0.00 0.00 31.29 33.00 2ctn h VAL 44 CO 0.04 0.41 0.21 0.24 0.02 0.00 0.00 177.57 178.49 2ctn h MET 45 N -0.73 0.27 0.00 1.57 2.86 -1.30 0.77 114.93 118.37 2ctn h MET 45 Ca -0.00 -0.02 -0.00 0.00 -2.06 0.00 0.00 59.70 57.62 2ctn h MET 45 Cb 0.69 -0.06 -0.00 0.00 0.06 0.00 0.00 31.60 32.29 2ctn h MET 45 CO 0.00 0.18 -0.02 -0.09 1.06 0.00 0.00 176.91 178.05 2ctn h ARG 46 N 0.28 0.00 0.00 1.72 2.43 -1.61 -0.87 114.38 116.33 2ctn h ARG 46 Ca 0.45 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.62 2ctn h ARG 46 Cb 0.80 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.35 2ctn h ARG 46 CO -0.54 0.02 -0.01 0.00 -1.51 0.00 0.00 179.97 177.93 2ctn h MET 47 N 0.00 0.00 0.00 0.20 -0.00 0.56 -3.11 114.93 112.58 2ctn h MET 47 Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.70 2ctn h MET 47 Cb 0.14 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 31.74 2ctn h MET 47 CO 0.00 0.00 -0.31 1.28 -0.00 0.00 0.00 176.91 177.88 2ctn n LEU 48 N -2.34 0.32 0.00 -0.10 7.99 -0.33 -4.89 117.00 117.65 2ctn n LEU 48 Ca 0.05 0.21 0.00 0.00 -0.01 0.00 0.00 56.01 56.26 2ctn n LEU 48 Cb 0.44 -0.34 0.00 0.00 -0.11 0.00 0.00 43.42 43.41 2ctn n LEU 48 CO 0.31 0.07 0.00 0.61 -1.51 0.00 0.00 177.39 176.86 2ctn n GLY 49 N 1.49 1.16 1.76 -0.72 0.00 -1.17 -5.10 105.19 102.61 2ctn n GLY 49 Ca 0.06 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.97 2ctn n GLY 49 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2ctn n GLN 50 N -1.61 1.04 -2.73 1.61 1.13 -1.22 -5.06 117.38 110.55 2ctn n GLN 50 Ca 0.00 -1.55 -0.08 0.00 -1.94 0.00 0.00 57.00 53.43 2ctn n GLN 50 Cb 0.00 0.10 0.10 0.00 0.11 0.00 0.00 30.24 30.55 2ctn n GLN 50 CO 0.00 0.00 0.00 -1.71 -1.44 0.00 0.00 177.06 173.91 2ctn n ASN 51 N -2.11 -1.86 -4.79 1.08 2.85 -1.26 -4.44 115.26 104.72 2ctn n ASN 51 Ca 0.01 -3.05 -0.33 0.00 -0.11 0.00 0.00 54.58 51.11 2ctn n ASN 51 Cb 0.29 1.30 0.04 0.00 1.24 0.00 0.00 39.78 42.65 2ctn n ASN 51 CO 0.00 0.00 0.00 -2.16 -2.11 0.00 0.00 177.26 172.99 2ctn s PRO 52 N -0.01 2.95 0.67 1.20 0.04 -1.26 -5.05 135.00 133.55 2ctn s PRO 52 Ca 0.23 1.27 -0.04 0.00 0.04 0.00 0.00 61.00 62.50 2ctn s PRO 52 Cb 0.35 -1.98 0.07 0.00 0.04 0.00 0.00 34.50 32.99 2ctn s PRO 52 CO -0.07 -1.12 0.95 0.95 0.04 0.00 0.00 177.00 177.76 2ctn s THR 53 N -2.48 2.35 -0.07 1.26 -4.23 -1.26 -4.97 115.64 106.24 2ctn s THR 53 Ca 0.65 -0.44 0.31 0.00 -1.18 0.00 0.00 61.69 61.02 2ctn s THR 53 Cb -0.18 -2.91 0.37 0.00 1.34 0.00 0.00 72.50 71.11 2ctn s THR 53 CO 0.42 0.00 1.89 1.55 -0.54 0.00 0.00 174.62 177.94 2ctn h PRO 54 N -0.44 0.00 0.00 3.99 0.13 -1.98 -3.03 132.00 130.67 2ctn h PRO 54 Ca -0.42 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 64.67 2ctn h PRO 54 Cb 1.30 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.42 2ctn h PRO 54 CO 0.52 0.00 -0.32 1.49 -0.23 0.00 0.00 178.00 179.46 2ctn h GLU 55 N 0.00 0.00 -0.70 0.86 4.81 -2.02 -3.33 114.58 114.20 2ctn h GLU 55 Ca 0.00 0.00 0.20 0.00 -0.13 0.00 0.00 59.36 59.43 2ctn h GLU 55 Cb 0.59 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 29.94 2ctn h GLU 55 CO 0.00 0.50 0.50 0.93 -0.73 0.00 0.00 179.01 180.22 2ctn h GLU 56 N -1.00 0.02 0.00 1.92 5.08 -1.96 -2.59 114.58 116.05 2ctn h GLU 56 Ca -0.06 -0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.29 2ctn h GLU 56 Cb 0.65 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.89 2ctn h GLU 56 CO -0.04 0.01 0.00 1.28 -1.00 0.00 0.00 179.01 179.27 2ctn n LEU 57 N -4.34 0.00 -0.35 1.33 4.77 -1.14 0.13 117.00 117.40 2ctn n LEU 57 Ca 0.14 0.67 0.29 0.00 -0.03 0.00 0.00 56.01 57.08 2ctn n LEU 57 Cb 0.76 -0.17 0.55 0.00 -2.33 0.00 0.00 43.42 42.23 2ctn n LEU 57 CO 0.37 -0.17 1.12 -0.61 -1.33 0.00 0.00 177.39 176.77 2ctn h GLN 58 N 0.00 0.17 -0.25 3.23 5.75 -1.65 1.41 115.11 123.76 2ctn h GLN 58 Ca 0.00 -0.01 -0.09 0.00 -0.15 0.00 0.00 58.65 58.40 2ctn h GLN 58 Cb 0.00 -0.04 -0.01 0.00 1.07 0.00 0.00 27.48 28.50 2ctn h GLN 58 CO 0.00 0.11 -0.21 1.49 -2.65 0.00 0.00 178.83 177.57 2ctn h GLU 59 N 0.17 0.46 0.12 1.69 4.81 -1.24 -0.16 114.58 120.43 2ctn h GLU 59 Ca 0.79 -0.16 -0.27 0.00 -0.13 0.00 0.00 59.36 59.59 2ctn h GLU 59 Cb 2.03 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 31.37 2ctn h GLU 59 CO -0.63 0.65 -1.22 0.52 -0.73 0.00 0.00 179.01 177.60 2ctn h MET 60 N 0.41 0.27 0.16 1.92 2.86 0.59 -3.33 114.93 117.81 2ctn h MET 60 Ca 0.07 -0.44 -0.01 0.00 -2.06 0.00 0.00 59.70 57.25 2ctn h MET 60 Cb 0.60 0.16 0.00 0.00 0.06 0.00 0.00 31.60 32.43 2ctn h MET 60 CO 0.04 1.21 -0.08 0.82 1.06 0.00 0.00 176.91 179.96 2ctn h ILE 61 N 0.08 0.87 -1.83 -1.22 2.04 -0.60 -2.83 117.51 114.01 2ctn h ILE 61 Ca -0.13 -1.13 0.55 0.00 1.00 0.00 0.00 64.86 65.16 2ctn h ILE 61 Cb 1.95 1.45 -0.10 0.00 -0.74 0.00 0.00 36.82 39.38 2ctn h ILE 61 CO 0.20 0.22 1.29 -0.67 0.00 0.00 0.00 178.15 179.19 2ctn n ASP 62 N -4.92 0.06 -0.04 1.72 -0.08 -0.09 0.18 116.55 113.37 2ctn n ASP 62 Ca -0.08 1.11 -0.18 0.00 -1.51 0.00 0.00 54.79 54.13 2ctn n ASP 62 Cb 0.27 -0.55 -0.13 0.00 2.34 0.00 0.00 41.12 43.04 2ctn n ASP 62 CO 0.00 0.00 0.00 -0.33 0.12 0.00 0.00 177.20 176.99 2ctn h GLU 63 N 0.00 0.09 -0.02 -0.67 4.39 -1.65 -3.30 114.58 113.41 2ctn h GLU 63 Ca 0.93 -0.15 0.00 0.00 0.34 0.00 0.00 59.36 60.48 2ctn h GLU 63 Cb 3.56 0.06 0.00 0.00 -0.10 0.00 0.00 28.75 32.27 2ctn h GLU 63 CO -0.13 1.07 0.00 1.33 -1.16 0.00 0.00 179.01 180.12 2ctn n VAL 64 N -4.39 0.03 -2.47 3.13 0.24 0.14 -4.79 118.33 110.21 2ctn n VAL 64 Ca -0.17 -0.09 -0.43 0.00 -2.04 0.00 0.00 64.34 61.61 2ctn n VAL 64 Cb 0.64 -0.15 -0.02 0.00 -1.47 0.00 0.00 33.84 32.84 2ctn n VAL 64 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 2ctn s ASP 65 N -1.82 6.73 0.00 -1.34 -1.08 0.48 -4.86 116.67 114.77 2ctn s ASP 65 Ca 0.38 1.17 0.28 0.00 -0.52 0.00 0.00 52.55 53.87 2ctn s ASP 65 Cb 0.19 -2.54 1.17 0.00 -1.46 0.00 0.00 42.92 40.28 2ctn s ASP 65 CO 0.30 -1.04 1.84 -1.84 0.52 0.00 0.00 175.17 174.96 2ctn n GLU 66 N 7.22 0.49 0.00 4.34 -0.00 -1.26 -3.80 120.64 127.62 2ctn n GLU 66 Ca 0.14 -0.15 0.00 0.00 -0.00 0.00 0.00 57.16 57.15 2ctn n GLU 66 Cb 0.47 -1.50 0.00 0.00 -0.00 0.00 0.00 31.44 30.41 2ctn n GLU 66 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.13 176.73 2ctn n ASP 67 N -1.12 0.31 -3.61 -1.84 5.68 -1.26 -5.05 116.55 109.66 2ctn n ASP 67 Ca 0.12 -1.11 -0.22 0.00 -0.50 0.00 0.00 54.79 53.08 2ctn n ASP 67 Cb 0.29 0.00 0.01 0.00 -1.14 0.00 0.00 41.12 40.28 2ctn n ASP 67 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2ctn n GLY 68 N -0.06 -1.19 0.07 6.12 0.00 -1.25 -4.89 105.19 103.99 2ctn n GLY 68 Ca 0.00 0.52 0.00 0.00 0.00 0.00 0.00 46.02 46.54 2ctn n GLY 68 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2ctn n SER 69 N -2.39 0.45 -3.64 1.61 3.41 -1.26 -5.00 113.62 106.81 2ctn n SER 69 Ca -0.17 -1.39 -0.27 0.00 -0.26 0.00 0.00 58.87 56.77 2ctn n SER 69 Cb 0.61 -0.04 0.03 0.00 -0.26 0.00 0.00 64.21 64.55 2ctn n SER 69 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2ctn n GLY 70 N -0.14 -0.51 3.14 5.00 0.00 -1.26 -4.97 105.19 106.45 2ctn n GLY 70 Ca 0.01 0.18 -0.18 0.00 0.00 0.00 0.00 46.02 46.03 2ctn n GLY 70 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2ctn s THR 71 N -3.22 0.99 -0.11 2.61 -4.23 -1.26 -2.72 115.64 107.69 2ctn s THR 71 Ca 0.56 -1.15 -0.01 0.00 -1.18 0.00 0.00 61.69 59.91 2ctn s THR 71 Cb -0.27 -0.95 0.03 0.00 1.34 0.00 0.00 72.50 72.65 2ctn s THR 71 CO 0.69 -0.19 -0.06 -0.69 -0.54 0.00 0.00 174.62 173.83 2ctn s VAL 72 N -1.15 0.89 0.00 2.29 1.01 0.21 -4.93 120.40 118.72 2ctn s VAL 72 Ca -0.02 -0.22 0.00 0.00 0.00 0.00 0.00 61.98 61.74 2ctn s VAL 72 Cb -0.09 -0.95 0.00 0.00 0.00 0.00 0.00 36.38 35.34 2ctn s VAL 72 CO 0.02 0.33 0.00 0.47 0.00 0.00 0.00 175.10 175.92 2ctn n ASP 73 N 4.98 0.34 0.16 3.32 9.92 -1.26 -0.93 116.55 133.08 2ctn n ASP 73 Ca -0.11 -0.06 0.15 0.00 -0.53 0.00 0.00 54.79 54.24 2ctn n ASP 73 Cb 0.50 0.00 0.73 0.00 -0.64 0.00 0.00 41.12 41.71 2ctn n ASP 73 CO 0.00 0.00 0.00 0.15 0.13 0.00 0.00 177.20 177.48 2ctn h PHE 74 N 0.01 0.00 0.00 1.24 3.57 -2.00 -1.29 116.94 118.48 2ctn h PHE 74 Ca 0.00 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.50 2ctn h PHE 74 Cb 0.00 0.00 0.00 0.00 2.79 0.00 0.00 35.95 38.74 2ctn h PHE 74 CO 0.00 0.00 -0.31 -0.44 -2.23 0.00 0.00 178.31 175.33 2ctn h ASP 75 N 0.00 0.00 -0.66 0.41 5.19 -2.00 -3.26 116.42 116.10 2ctn h ASP 75 Ca 0.11 0.00 0.19 0.00 -0.62 0.00 0.00 57.03 56.71 2ctn h ASP 75 Cb 0.49 0.00 -0.03 0.00 0.18 0.00 0.00 39.33 39.97 2ctn h ASP 75 CO -0.00 0.64 0.70 -0.33 -3.12 0.00 0.00 179.24 177.13 2ctn h GLU 76 N -0.97 0.00 0.04 3.56 5.08 -1.88 -1.09 114.58 119.31 2ctn h GLU 76 Ca 0.00 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2ctn h GLU 76 Cb 0.31 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.56 2ctn h GLU 76 CO 0.00 0.00 -0.02 0.35 -1.00 0.00 0.00 179.01 178.34 2ctn h PHE 77 N 0.00 -0.05 -0.35 4.33 3.57 -1.36 -1.72 116.94 121.36 2ctn h PHE 77 Ca 0.32 -0.00 0.10 0.00 3.53 0.00 0.00 57.97 61.92 2ctn h PHE 77 Cb 1.71 0.02 -0.01 0.00 2.79 0.00 0.00 35.95 40.45 2ctn h PHE 77 CO 0.00 -0.03 0.53 -0.07 -2.23 0.00 0.00 178.31 176.51 2ctn h LEU 78 N -0.11 0.00 0.00 0.59 3.38 -1.48 1.25 115.31 118.94 2ctn h LEU 78 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 2ctn h LEU 78 Cb 0.04 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.79 2ctn h LEU 78 CO 0.01 0.00 -0.29 0.58 0.09 0.00 0.00 178.44 178.83 2ctn h VAL 79 N 0.00 0.00 0.00 1.22 2.07 -1.21 -3.20 116.25 115.13 2ctn h VAL 79 Ca 0.17 -0.93 0.00 0.00 0.82 0.00 0.00 66.70 66.76 2ctn h VAL 79 Cb 1.23 1.78 0.00 0.00 -1.52 0.00 0.00 31.29 32.78 2ctn h VAL 79 CO -0.00 0.00 0.00 0.80 0.02 0.00 0.00 177.57 178.39 2ctn n MET 80 N -2.87 0.09 -0.01 1.57 0.00 0.43 -3.06 117.12 113.28 2ctn n MET 80 Ca 0.03 0.07 0.09 0.00 0.00 0.00 0.00 57.70 57.89 2ctn n MET 80 Cb 0.52 -1.50 -0.13 0.00 0.00 0.00 0.00 33.22 32.12 2ctn n MET 80 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 175.97 174.64 2ctn n MET 81 N -1.45 0.74 0.17 2.12 2.81 -1.20 -3.66 117.12 116.65 2ctn n MET 81 Ca 0.07 -0.12 0.05 0.00 -1.81 0.00 0.00 57.70 55.89 2ctn n MET 81 Cb 0.26 -1.39 0.12 0.00 -0.71 0.00 0.00 33.22 31.51 2ctn n MET 81 CO 0.00 0.00 0.00 0.28 1.51 0.00 0.00 175.97 177.76 2ctn h VAL 82 N 0.00 0.68 0.00 2.03 2.07 -1.61 -2.45 116.25 116.97 2ctn h VAL 82 Ca 0.00 -1.84 0.00 0.00 0.82 0.00 0.00 66.70 65.68 2ctn h VAL 82 Cb 0.70 2.24 0.00 0.00 -1.52 0.00 0.00 31.29 32.71 2ctn h VAL 82 CO 0.00 0.37 -1.48 0.54 0.02 0.00 0.00 177.57 177.02 2ctn n ARG 83 N -3.24 0.55 0.02 1.57 1.74 -1.24 -4.33 116.66 111.73 2ctn n ARG 83 Ca 0.02 -0.10 0.02 0.00 -0.77 0.00 0.00 57.85 57.01 2ctn n ARG 83 Cb 0.65 -1.46 -0.09 0.00 -1.02 0.00 0.00 32.46 30.54 2ctn n ARG 83 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 2ctn n SER 84 N -1.87 0.63 -1.97 0.55 3.41 -1.23 -4.25 113.62 108.89 2ctn n SER 84 Ca -0.00 0.27 -0.13 0.00 -0.26 0.00 0.00 58.87 58.75 2ctn n SER 84 Cb 0.43 0.56 -0.09 0.00 -0.26 0.00 0.00 64.21 64.86 2ctn n SER 84 CO 0.00 0.00 0.00 0.23 -0.16 0.00 0.00 175.04 175.11 2ctn n MET 85 N -2.75 1.82 -4.45 4.33 2.81 -0.92 -4.76 117.12 113.19 2ctn n MET 85 Ca -0.11 -1.09 -0.31 0.00 -1.81 0.00 0.00 57.70 54.39 2ctn n MET 85 Cb 0.80 -1.75 -0.05 0.00 -0.71 0.00 0.00 33.22 31.51 2ctn n MET 85 CO 0.00 0.00 0.00 0.21 1.51 0.00 0.00 175.97 177.69 2ctn s LYS 86 N -0.06 2.22 -0.02 0.03 2.47 -1.26 -5.01 119.74 118.10 2ctn s LYS 86 Ca 0.46 -2.27 0.11 0.00 -1.56 0.00 0.00 55.97 52.72 2ctn s LYS 86 Cb 0.25 -1.73 0.36 0.00 -1.46 0.00 0.00 37.83 35.25 2ctn s LYS 86 CO -0.04 -0.45 1.27 -0.40 0.16 0.00 0.00 175.35 175.89 2ctn n ASP 87 N -1.44 2.32 0.05 1.43 5.75 -1.26 -3.80 116.55 119.60 2ctn n ASP 87 Ca -0.13 -2.07 0.11 0.00 -0.01 0.00 0.00 54.79 52.69 2ctn n ASP 87 Cb 0.66 -0.31 -0.03 0.00 -1.03 0.00 0.00 41.12 40.41 2ctn n ASP 87 CO 0.00 0.00 0.00 0.47 -0.11 0.00 0.00 177.20 177.56 2ctn n ASP 88 N 0.61 0.58 0.00 -1.12 9.92 -1.26 -5.28 116.55 120.00 2ctn n ASP 88 Ca 0.13 0.10 0.00 0.00 -0.53 0.00 0.00 54.79 54.49 2ctn n ASP 88 Cb 0.40 0.90 0.00 0.00 -0.64 0.00 0.00 41.12 41.78 2ctn n ASP 88 CO 0.00 0.00 0.00 -0.24 0.13 0.00 0.00 177.20 177.09