#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 4.22 0.00 0.00 2.03 -1.26 -5.00 116.55 116.54 2ctn n ASP 3 Ca 0.00 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.31 2ctn n ASP 3 Cb 0.00 0.88 0.00 0.00 -0.72 0.00 0.00 41.12 41.28 2ctn n ASP 3 CO 0.00 0.00 0.00 -0.38 -1.92 0.00 0.00 177.20 174.90 2ctn n ILE 4 N -1.86 0.00 0.24 5.18 5.41 -1.26 -3.94 119.36 123.14 2ctn n ILE 4 Ca -0.03 0.00 0.15 0.00 1.00 0.00 0.00 62.75 63.87 2ctn n ILE 4 Cb 0.33 0.00 0.81 0.00 -0.71 0.00 0.00 39.64 40.07 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 0.00 -0.98 1.39 0.05 -1.95 -1.89 116.97 113.60 2ctn h TYR 5 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.78 2ctn h TYR 5 Cb 0.00 0.00 -0.05 0.00 1.01 0.00 0.00 36.73 37.69 2ctn h TYR 5 CO 0.00 0.00 0.63 1.57 -1.05 0.00 0.00 178.16 179.31 2ctn h LYS 6 N 0.00 1.30 -0.87 4.88 5.09 -1.94 -1.12 116.57 123.91 2ctn h LYS 6 Ca 0.00 -0.09 0.25 0.00 0.09 0.00 0.00 60.65 60.90 2ctn h LYS 6 Cb 0.14 -0.29 -0.03 0.00 0.10 0.00 0.00 32.23 32.15 2ctn h LYS 6 CO 0.00 0.88 0.67 0.00 -2.09 0.00 0.00 179.45 178.91 2ctn h ALA 7 N 1.35 2.78 0.00 0.07 0.00 -1.70 0.52 119.26 122.28 2ctn h ALA 7 Ca 0.36 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 55.21 2ctn h ALA 7 Cb -0.12 0.07 -0.00 0.00 0.00 0.00 0.00 17.79 17.73 2ctn h ALA 7 CO -0.07 -1.11 -0.16 0.00 0.00 0.00 0.00 179.25 177.90 2ctn h ALA 8 N 1.48 0.03 -0.01 0.00 0.00 -1.40 -3.25 119.26 116.11 2ctn h ALA 8 Ca 0.41 -0.40 0.00 0.00 0.00 0.00 0.00 54.91 54.93 2ctn h ALA 8 Cb 1.74 0.11 -0.00 0.00 0.00 0.00 0.00 17.79 19.64 2ctn h ALA 8 CO -0.00 0.10 0.01 0.28 0.00 0.00 0.00 179.25 179.64 2ctn h VAL 9 N -1.00 0.53 0.00 0.00 2.07 -0.96 -0.17 116.25 116.71 2ctn h VAL 9 Ca -0.03 0.00 -0.09 0.00 0.82 0.00 0.00 66.70 67.40 2ctn h VAL 9 Cb 0.65 0.99 -0.01 0.00 -1.52 0.00 0.00 31.29 31.39 2ctn h VAL 9 CO -0.02 0.00 -0.42 -0.33 0.02 0.00 0.00 177.57 176.82 2ctn h GLU 10 N 0.00 0.00 -0.14 1.57 4.39 -0.08 -2.53 114.58 117.78 2ctn h GLU 10 Ca 0.01 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.71 2ctn h GLU 10 Cb 0.04 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.69 2ctn h GLU 10 CO -0.00 0.42 0.00 1.04 -1.16 0.00 0.00 179.01 179.31 2ctn n GLN 11 N -3.80 1.96 -0.61 2.33 3.00 -0.10 -4.95 117.38 115.22 2ctn n GLN 11 Ca -0.01 -1.43 -0.30 0.00 -0.01 0.00 0.00 57.00 55.24 2ctn n GLN 11 Cb 0.48 -1.45 0.20 0.00 0.00 0.00 0.00 30.24 29.47 2ctn n GLN 11 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.06 178.34 2ctn n LEU 12 N 0.68 -0.21 -4.88 1.08 4.77 -0.96 -4.98 117.00 112.50 2ctn n LEU 12 Ca 0.17 0.07 -0.34 0.00 -0.03 0.00 0.00 56.01 55.88 2ctn n LEU 12 Cb 0.44 -1.25 -0.05 0.00 -2.33 0.00 0.00 43.42 40.22 2ctn n LEU 12 CO 0.15 -3.02 0.01 0.42 -1.33 0.00 0.00 177.39 173.62 2ctn s THR 13 N -2.43 5.19 0.66 -5.08 -4.23 -1.26 -4.94 115.64 103.55 2ctn s THR 13 Ca 0.64 0.21 0.26 0.00 -1.18 0.00 0.00 61.69 61.62 2ctn s THR 13 Cb -0.22 -3.61 0.27 0.00 1.34 0.00 0.00 72.50 70.28 2ctn s THR 13 CO 0.64 0.23 1.80 -0.08 -0.54 0.00 0.00 174.62 176.67 2ctn h GLU 14 N 3.51 0.00 -0.06 3.99 4.81 -1.99 0.35 114.58 125.19 2ctn h GLU 14 Ca -0.48 0.00 -0.13 0.00 -0.13 0.00 0.00 59.36 58.61 2ctn h GLU 14 Cb 1.18 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.55 2ctn h GLU 14 CO 0.68 0.00 -0.57 0.93 -0.73 0.00 0.00 179.01 179.32 2ctn h GLU 15 N 0.00 0.17 0.11 1.92 4.39 -2.00 -2.26 114.58 116.91 2ctn h GLU 15 Ca 0.02 -0.11 -0.25 0.00 0.34 0.00 0.00 59.36 59.35 2ctn h GLU 15 Cb 0.89 0.01 -0.00 0.00 -0.10 0.00 0.00 28.75 29.55 2ctn h GLU 15 CO -0.00 0.70 -1.28 1.96 -1.16 0.00 0.00 179.01 179.23 2ctn h GLN 16 N 0.13 0.23 -0.05 2.33 4.20 -0.70 -3.24 115.11 118.01 2ctn h GLN 16 Ca -0.00 -0.40 -0.02 0.00 0.06 0.00 0.00 58.65 58.28 2ctn h GLN 16 Cb 1.05 0.15 -0.01 0.00 0.30 0.00 0.00 27.48 28.97 2ctn h GLN 16 CO 0.08 1.19 -0.07 0.87 -0.67 0.00 0.00 178.83 180.24 2ctn h LYS 17 N -0.36 0.07 -0.21 1.46 1.57 -1.53 -0.64 116.57 116.92 2ctn h LYS 17 Ca -0.27 -0.01 -0.06 0.00 -1.87 0.00 0.00 60.65 58.43 2ctn h LYS 17 Cb 1.70 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 33.99 2ctn h LYS 17 CO 0.06 0.15 -0.11 -0.91 -0.57 0.00 0.00 179.45 178.07 2ctn h ASN 18 N 0.07 0.46 -0.40 0.86 2.35 -1.52 0.69 115.58 118.10 2ctn h ASN 18 Ca 0.02 -0.42 -0.16 0.00 -0.55 0.00 0.00 56.30 55.19 2ctn h ASN 18 Cb 0.17 -0.13 -0.01 0.00 0.05 0.00 0.00 38.32 38.41 2ctn h ASN 18 CO 0.01 0.78 -0.36 -0.33 -1.65 0.00 0.00 177.43 175.88 2ctn h GLU 19 N 0.15 0.95 0.51 0.81 5.08 -1.49 -1.77 114.58 118.83 2ctn h GLU 19 Ca 0.05 -0.49 -0.03 0.00 -1.00 0.00 0.00 59.36 57.89 2ctn h GLU 19 Cb 0.61 0.01 0.01 0.00 0.50 0.00 0.00 28.75 29.87 2ctn h GLU 19 CO 0.03 1.15 -0.25 0.74 -1.00 0.00 0.00 179.01 179.68 2ctn h PHE 20 N 0.79 -0.64 -0.69 4.33 0.04 -1.11 -1.75 116.94 117.91 2ctn h PHE 20 Ca 0.07 -0.02 0.15 0.00 2.80 0.00 0.00 57.97 60.98 2ctn h PHE 20 Cb 0.95 0.21 -0.11 0.00 2.20 0.00 0.00 35.95 39.20 2ctn h PHE 20 CO 0.06 -0.40 0.07 0.87 -0.60 0.00 0.00 178.31 178.31 2ctn h LYS 21 N -1.07 0.16 0.07 1.51 1.57 -0.95 -0.76 116.57 117.11 2ctn h LYS 21 Ca -0.07 -0.01 0.02 0.00 -1.87 0.00 0.00 60.65 58.72 2ctn h LYS 21 Cb 0.53 -0.04 -0.03 0.00 0.08 0.00 0.00 32.23 32.77 2ctn h LYS 21 CO 0.12 0.11 -0.21 0.00 -0.57 0.00 0.00 179.45 178.89 2ctn h ALA 22 N 1.62 -0.32 -0.52 3.86 0.00 -1.33 -2.33 119.26 120.24 2ctn h ALA 22 Ca 0.38 -0.02 0.10 0.00 0.00 0.00 0.00 54.91 55.37 2ctn h ALA 22 Cb 0.64 0.35 -0.10 0.00 0.00 0.00 0.00 17.79 18.68 2ctn h ALA 22 CO -0.55 -0.73 -0.20 0.00 0.00 0.00 0.00 179.25 177.77 2ctn h ALA 23 N 0.46 0.20 -0.75 0.00 0.00 -0.22 0.14 119.26 119.10 2ctn h ALA 23 Ca 0.04 0.19 0.16 0.00 0.00 0.00 0.00 54.91 55.30 2ctn h ALA 23 Cb 0.41 0.52 -0.11 0.00 0.00 0.00 0.00 17.79 18.61 2ctn h ALA 23 CO -0.15 -0.52 0.21 0.35 0.00 0.00 0.00 179.25 179.14 2ctn h PHE 24 N -0.08 0.34 0.00 0.00 3.04 -0.86 2.10 116.94 121.49 2ctn h PHE 24 Ca 0.24 0.04 0.00 0.00 3.98 0.00 0.00 57.97 62.23 2ctn h PHE 24 Cb 0.46 -0.03 0.00 0.00 2.56 0.00 0.00 35.95 38.93 2ctn h PHE 24 CO -0.49 -0.06 0.00 -3.47 -2.02 0.00 0.00 178.31 172.27 2ctn n ASP 25 N -5.12 0.14 -0.03 0.41 2.03 0.37 -1.94 116.55 112.41 2ctn n ASP 25 Ca 0.15 0.53 0.03 0.00 0.52 0.00 0.00 54.79 56.01 2ctn n ASP 25 Cb 0.47 -0.56 -0.02 0.00 -0.72 0.00 0.00 41.12 40.28 2ctn n ASP 25 CO 0.00 0.00 0.00 -0.38 -1.92 0.00 0.00 177.20 174.90 2ctn n ILE 26 N -1.65 0.00 0.49 5.18 5.41 0.33 -4.57 119.36 124.56 2ctn n ILE 26 Ca 0.04 -0.39 0.06 0.00 1.00 0.00 0.00 62.75 63.45 2ctn n ILE 26 Cb 0.22 1.01 0.01 0.00 -0.71 0.00 0.00 39.64 40.17 2ctn n ILE 26 CO 0.00 0.00 0.00 0.49 0.00 0.00 0.00 176.55 177.04 2ctn n PHE 27 N -0.96 0.00 1.01 1.39 3.72 0.63 -4.41 117.46 118.84 2ctn n PHE 27 Ca 0.01 0.00 0.11 0.00 -0.05 0.00 0.00 57.45 57.52 2ctn n PHE 27 Cb 0.09 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.63 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 -0.04 0.00 -0.22 -4.37 0.31 -0.82 -4.24 118.33 108.95 2ctn n VAL 28 Ca 0.05 -0.03 0.29 0.00 -0.01 0.00 0.00 64.34 64.64 2ctn n VAL 28 Cb 0.24 0.82 0.70 0.00 -0.91 0.00 0.00 33.84 34.70 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 0.32 0.05 -2.35 7.52 -0.00 -1.82 0.62 115.31 119.66 2ctn h LEU 29 Ca 0.00 0.01 0.00 0.00 -0.00 0.00 0.00 57.88 57.89 2ctn h LEU 29 Cb 0.53 -0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.19 2ctn h LEU 29 CO 0.00 0.02 0.00 0.61 -0.00 0.00 0.00 178.44 179.07 2ctn n GLY 30 N -1.70 1.64 0.00 0.83 0.00 -1.26 -5.00 105.19 99.69 2ctn n GLY 30 Ca 0.20 -0.41 0.00 0.00 0.00 0.00 0.00 46.02 45.81 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 0.70 0.00 -0.08 4.61 0.00 0.22 -4.96 120.51 121.00 2ctn n ALA 31 Ca 0.11 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.47 2ctn n ALA 31 Cb 0.41 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.75 2ctn n ALA 31 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2ctn n GLU 32 N -0.92 1.43 0.00 0.00 4.71 -1.26 -4.91 120.64 119.69 2ctn n GLU 32 Ca 0.00 0.01 0.00 0.00 -0.01 0.00 0.00 57.16 57.16 2ctn n GLU 32 Cb 0.00 -1.37 0.00 0.00 -1.01 0.00 0.00 31.44 29.06 2ctn n GLU 32 CO 0.00 0.00 0.00 -0.25 0.09 0.00 0.00 177.13 176.97 2ctn n ASP 33 N -2.62 0.00 0.00 1.62 8.00 -1.26 -5.03 116.55 117.25 2ctn n ASP 33 Ca -0.25 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.25 2ctn n ASP 33 Cb 0.95 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 42.05 2ctn n ASP 33 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2ctn n GLY 34 N -0.31 0.00 0.00 0.44 0.00 -1.26 -5.17 105.19 98.90 2ctn n GLY 34 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2ctn n GLY 34 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2ctn n SER 35 N 0.00 0.00 -3.33 1.61 7.64 -1.26 -4.94 113.62 113.34 2ctn n SER 35 Ca 0.00 -0.09 -0.09 0.00 1.01 0.00 0.00 58.87 59.69 2ctn n SER 35 Cb 0.00 0.00 -0.07 0.00 -1.01 0.00 0.00 64.21 63.13 2ctn n SER 35 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 2ctn s ILE 36 N -2.44 -0.61 0.46 0.44 1.01 -0.92 -4.64 121.20 114.50 2ctn s ILE 36 Ca 0.00 -0.20 -0.20 0.00 0.00 0.00 0.00 60.65 60.25 2ctn s ILE 36 Cb 0.00 -0.91 -0.10 0.00 0.01 0.00 0.00 42.46 41.47 2ctn s ILE 36 CO 0.00 -0.21 0.97 -0.55 0.00 0.00 0.00 174.94 175.15 2ctn s SER 37 N 2.54 6.76 0.50 3.58 0.15 -1.26 0.12 113.70 126.08 2ctn s SER 37 Ca 0.11 1.72 0.40 0.00 0.70 0.00 0.00 55.95 58.87 2ctn s SER 37 Cb -0.14 -2.54 1.58 0.00 -1.71 0.00 0.00 66.02 63.21 2ctn s SER 37 CO -0.23 -0.49 1.61 0.00 1.20 0.00 0.00 173.24 175.32 2ctn h THR 38 N 1.66 0.07 -0.08 6.45 1.03 -1.70 2.56 112.91 122.89 2ctn h THR 38 Ca -0.49 -0.01 -0.15 0.00 -0.01 0.00 0.00 66.41 65.75 2ctn h THR 38 Cb 1.19 0.04 -0.01 0.00 -1.07 0.00 0.00 68.15 68.30 2ctn h THR 38 CO 0.61 0.01 -0.62 0.11 -0.01 0.00 0.00 175.52 175.61 2ctn h LYS 39 N 0.03 0.28 0.00 0.00 1.79 -1.90 0.88 116.57 117.65 2ctn h LYS 39 Ca 0.86 -0.20 -0.36 0.00 -2.18 0.00 0.00 60.65 58.77 2ctn h LYS 39 Cb 3.11 0.03 -0.07 0.00 -1.58 0.00 0.00 32.23 33.72 2ctn h LYS 39 CO -0.23 0.81 -2.32 -1.91 -1.08 0.00 0.00 179.45 174.72 2ctn n GLU 40 N -3.87 0.68 0.12 3.15 4.07 0.62 -4.43 120.64 120.98 2ctn n GLU 40 Ca -0.03 0.05 -0.20 0.00 -0.06 0.00 0.00 57.16 56.92 2ctn n GLU 40 Cb 0.63 -1.55 -0.15 0.00 -0.06 0.00 0.00 31.44 30.31 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 0.62 -0.97 4.31 7.12 0.34 -3.31 115.31 123.42 2ctn h LEU 41 Ca -0.52 -0.67 0.32 0.00 0.13 0.00 0.00 57.88 57.14 2ctn h LEU 41 Cb 2.17 -0.20 -0.16 0.00 -0.53 0.00 0.00 40.66 41.93 2ctn h LEU 41 CO 0.02 1.53 0.37 1.23 -0.13 0.00 0.00 178.44 181.46 2ctn h GLY 42 N 0.94 1.81 0.73 3.75 0.00 -0.94 1.01 103.07 110.37 2ctn h GLY 42 Ca -0.20 -0.08 0.10 0.00 0.00 0.00 0.00 47.33 47.15 2ctn h GLY 42 CO 0.24 -0.57 0.57 0.50 0.00 0.00 0.00 176.54 177.27 2ctn h LYS 43 N 0.13 0.84 -0.14 4.80 6.56 -1.79 -2.25 116.57 124.72 2ctn h LYS 43 Ca 0.70 -0.05 -0.03 0.00 -1.06 0.00 0.00 60.65 60.21 2ctn h LYS 43 Cb 1.64 -0.19 -0.00 0.00 -0.57 0.00 0.00 32.23 33.11 2ctn h LYS 43 CO -0.74 0.56 -0.03 0.28 -2.06 0.00 0.00 179.45 177.46 2ctn h VAL 44 N 0.87 1.28 -0.76 0.50 2.07 0.88 -3.04 116.25 118.05 2ctn h VAL 44 Ca 0.41 -0.96 0.16 0.00 0.82 0.00 0.00 66.70 67.13 2ctn h VAL 44 Cb 0.42 1.65 -0.14 0.00 -1.52 0.00 0.00 31.29 31.69 2ctn h VAL 44 CO -0.17 0.28 -0.11 0.24 0.02 0.00 0.00 177.57 177.83 2ctn h MET 45 N -0.04 0.03 0.00 1.57 2.86 -1.11 0.80 114.93 119.04 2ctn h MET 45 Ca 0.03 -0.00 -0.02 0.00 -2.06 0.00 0.00 59.70 57.65 2ctn h MET 45 Cb 0.44 -0.01 -0.00 0.00 0.06 0.00 0.00 31.60 32.09 2ctn h MET 45 CO 0.01 0.02 -0.11 -0.09 1.06 0.00 0.00 176.91 177.81 2ctn h ARG 46 N 0.03 0.00 0.00 1.72 2.43 -1.49 -1.67 114.38 115.41 2ctn h ARG 46 Ca 0.39 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.56 2ctn h ARG 46 Cb 0.64 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.19 2ctn h ARG 46 CO -0.74 0.11 0.00 0.00 -1.51 0.00 0.00 179.97 177.83 2ctn n MET 47 N -3.55 0.09 0.06 0.20 0.00 0.27 -3.03 117.12 111.16 2ctn n MET 47 Ca -0.02 0.11 0.11 0.00 0.00 0.00 0.00 57.70 57.91 2ctn n MET 47 Cb 0.24 -1.61 0.03 0.00 0.00 0.00 0.00 33.22 31.88 2ctn n MET 47 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 175.97 177.25 2ctn n LEU 48 N -1.77 0.67 0.00 3.17 4.77 -0.64 -4.93 117.00 118.28 2ctn n LEU 48 Ca 0.06 0.17 0.00 0.00 -0.03 0.00 0.00 56.01 56.21 2ctn n LEU 48 Cb 0.34 -0.10 0.00 0.00 -2.33 0.00 0.00 43.42 41.34 2ctn n LEU 48 CO 0.26 -0.07 0.00 0.61 -1.33 0.00 0.00 177.39 176.86 2ctn n GLY 49 N 1.28 1.37 3.87 -0.72 0.00 -1.17 -5.12 105.19 104.71 2ctn n GLY 49 Ca 0.01 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.69 2ctn n GLY 49 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2ctn s GLN 50 N -0.06 3.35 -0.54 1.61 -0.21 -1.15 -5.03 119.66 117.64 2ctn s GLN 50 Ca 0.00 -0.30 0.06 0.00 0.02 0.00 0.00 55.36 55.14 2ctn s GLN 50 Cb 0.00 -3.07 0.35 0.00 1.00 0.00 0.00 33.01 31.30 2ctn s GLN 50 CO 0.00 0.70 0.96 -1.71 -2.12 0.00 0.00 175.29 173.12 2ctn n ASN 51 N 1.32 4.21 -4.61 5.90 4.05 -1.26 -3.76 115.26 121.10 2ctn n ASN 51 Ca -0.14 -3.63 -0.29 0.00 0.45 0.00 0.00 54.58 50.97 2ctn n ASN 51 Cb 0.53 -0.55 0.17 0.00 1.23 0.00 0.00 39.78 41.16 2ctn n ASN 51 CO 0.00 0.00 0.00 -2.16 -3.05 0.00 0.00 177.26 172.05 2ctn s PRO 52 N -3.40 0.46 0.30 1.20 0.04 -1.26 -5.06 135.00 127.27 2ctn s PRO 52 Ca 0.48 0.33 0.07 0.00 0.04 0.00 0.00 61.00 61.92 2ctn s PRO 52 Cb 0.31 -1.76 -0.03 0.00 0.04 0.00 0.00 34.50 33.06 2ctn s PRO 52 CO -0.14 -2.67 0.28 0.95 0.04 0.00 0.00 177.00 175.46 2ctn s THR 53 N -3.11 4.04 0.19 1.26 -4.23 -1.26 -5.01 115.64 107.53 2ctn s THR 53 Ca 0.66 -1.32 0.17 0.00 -1.18 0.00 0.00 61.69 60.02 2ctn s THR 53 Cb -0.16 -3.33 0.11 0.00 1.34 0.00 0.00 72.50 70.45 2ctn s THR 53 CO 0.56 -0.25 1.72 1.55 -0.54 0.00 0.00 174.62 177.65 2ctn h PRO 54 N 1.30 0.00 0.00 3.99 0.13 -2.01 -2.90 132.00 132.51 2ctn h PRO 54 Ca -0.47 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 64.59 2ctn h PRO 54 Cb 1.25 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.37 2ctn h PRO 54 CO 0.59 0.41 -0.48 0.93 -0.23 0.00 0.00 178.00 179.22 2ctn h GLU 55 N 0.00 0.00 -0.01 0.86 5.08 -2.03 -3.33 114.58 115.15 2ctn h GLU 55 Ca -0.00 0.00 -0.12 0.00 -1.00 0.00 0.00 59.36 58.24 2ctn h GLU 55 Cb 0.92 0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.18 2ctn h GLU 55 CO 0.05 0.27 -0.45 1.49 -1.00 0.00 0.00 179.01 179.38 2ctn h GLU 56 N 0.00 0.33 -0.85 2.33 4.57 -1.92 -3.29 114.58 115.74 2ctn h GLU 56 Ca -0.02 -0.34 0.17 0.00 -1.18 0.00 0.00 59.36 57.99 2ctn h GLU 56 Cb 1.25 0.09 -0.16 0.00 -0.16 0.00 0.00 28.75 29.77 2ctn h GLU 56 CO 0.04 1.02 -0.24 -0.07 -1.18 0.00 0.00 179.01 178.58 2ctn h LEU 57 N -0.24 -0.88 -0.80 1.64 3.38 -1.63 0.58 115.31 117.37 2ctn h LEU 57 Ca -0.05 0.26 0.18 0.00 0.09 0.00 0.00 57.88 58.36 2ctn h LEU 57 Cb 1.17 0.55 -0.12 0.00 0.09 0.00 0.00 40.66 42.36 2ctn h LEU 57 CO 0.09 -0.29 0.24 -0.61 0.09 0.00 0.00 178.44 177.96 2ctn h GLN 58 N -0.01 0.29 0.93 1.13 5.75 -1.71 -0.15 115.11 121.34 2ctn h GLN 58 Ca 0.40 -0.02 -0.05 0.00 -0.15 0.00 0.00 58.65 58.83 2ctn h GLN 58 Cb 0.62 -0.07 0.01 0.00 1.07 0.00 0.00 27.48 29.11 2ctn h GLN 58 CO -0.88 0.19 -0.45 0.93 -2.65 0.00 0.00 178.83 175.98 2ctn h GLU 59 N 0.30 -1.20 -0.51 1.69 4.39 0.03 0.28 114.58 119.55 2ctn h GLU 59 Ca 0.47 0.08 0.10 0.00 0.34 0.00 0.00 59.36 60.35 2ctn h GLU 59 Cb 0.84 0.27 -0.10 0.00 -0.10 0.00 0.00 28.75 29.66 2ctn h GLU 59 CO -0.53 -0.80 -0.20 1.98 -1.16 0.00 0.00 179.01 178.30 2ctn h MET 60 N -1.25 -0.08 -0.38 2.33 4.05 -0.88 0.34 114.93 119.07 2ctn h MET 60 Ca -0.13 0.01 -0.01 0.00 -0.28 0.00 0.00 59.70 59.28 2ctn h MET 60 Cb 0.96 0.02 -0.02 0.00 -0.80 0.00 0.00 31.60 31.76 2ctn h MET 60 CO 0.21 -0.05 0.17 0.82 0.23 0.00 0.00 176.91 178.29 2ctn h ILE 61 N -0.08 1.14 -1.00 1.77 2.04 -0.90 0.40 117.51 120.88 2ctn h ILE 61 Ca 0.24 -0.39 0.15 0.00 1.00 0.00 0.00 64.86 65.86 2ctn h ILE 61 Cb 0.46 0.67 -0.09 0.00 -0.74 0.00 0.00 36.82 37.11 2ctn h ILE 61 CO -0.57 0.16 0.62 -0.78 0.00 0.00 0.00 178.15 177.58 2ctn h ASP 62 N 0.52 0.86 0.02 1.72 3.58 0.34 1.25 116.42 124.71 2ctn h ASP 62 Ca 0.13 0.07 -0.35 0.00 0.42 0.00 0.00 57.03 57.29 2ctn h ASP 62 Cb 0.07 -0.10 -0.05 0.00 1.72 0.00 0.00 39.33 40.97 2ctn h ASP 62 CO -0.02 0.40 -1.97 1.21 -2.88 0.00 0.00 179.24 175.99 2ctn n GLU 63 N -4.67 0.61 0.05 0.28 2.13 -0.78 -4.53 120.64 113.74 2ctn n GLU 63 Ca 0.21 0.37 -0.13 0.00 0.66 0.00 0.00 57.16 58.27 2ctn n GLU 63 Cb 0.44 -1.62 -0.09 0.00 0.27 0.00 0.00 31.44 30.44 2ctn n GLU 63 CO 0.00 0.00 0.00 0.28 -0.41 0.00 0.00 177.13 177.00 2ctn h VAL 64 N -0.73 1.10 0.00 6.31 2.07 -0.13 -3.25 116.25 121.62 2ctn h VAL 64 Ca -0.52 -0.87 -0.23 0.00 0.82 0.00 0.00 66.70 65.90 2ctn h VAL 64 Cb 1.59 1.65 0.00 0.00 -1.52 0.00 0.00 31.29 33.01 2ctn h VAL 64 CO -0.23 0.21 1.65 -0.67 0.02 0.00 0.00 177.57 178.54 2ctn n ASP 65 N -4.96 3.29 0.02 0.57 -0.08 0.43 -4.56 116.55 111.25 2ctn n ASP 65 Ca -0.09 -2.15 0.21 0.00 -1.51 0.00 0.00 54.79 51.25 2ctn n ASP 65 Cb 0.23 -0.85 0.55 0.00 2.34 0.00 0.00 41.12 43.40 2ctn n ASP 65 CO 0.00 0.00 0.00 -0.33 0.12 0.00 0.00 177.20 176.99 2ctn h GLU 66 N 6.21 0.00 -0.15 -0.67 5.08 -1.73 2.11 114.58 125.44 2ctn h GLU 66 Ca 0.29 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.65 2ctn h GLU 66 Cb 0.26 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.51 2ctn h GLU 66 CO 1.08 0.00 0.00 -0.40 -1.00 0.00 0.00 179.01 178.69 2ctn n ASP 67 N -3.30 1.47 -3.81 1.42 5.75 -1.26 -4.94 116.55 111.87 2ctn n ASP 67 Ca 0.12 -1.68 -0.34 0.00 -0.01 0.00 0.00 54.79 52.88 2ctn n ASP 67 Cb 1.00 -0.10 0.02 0.00 -1.03 0.00 0.00 41.12 41.02 2ctn n ASP 67 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2ctn n GLY 68 N 1.08 -1.02 0.00 6.12 0.00 0.72 -4.87 105.19 107.22 2ctn n GLY 68 Ca 0.16 0.44 0.00 0.00 0.00 0.00 0.00 46.02 46.62 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 -2.41 3.99 0.00 1.61 3.41 -1.26 -5.00 113.62 113.96 2ctn n SER 69 Ca -0.14 -0.03 0.00 0.00 -0.26 0.00 0.00 58.87 58.44 2ctn n SER 69 Cb 0.59 0.86 0.00 0.00 -0.26 0.00 0.00 64.21 65.40 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 2.06 0.47 3.84 5.00 0.00 -1.26 -4.99 105.19 110.30 2ctn n GLY 70 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 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 -2.15 5.41 -0.28 2.61 -4.23 -1.26 -1.76 115.64 113.98 2ctn s THR 71 Ca 0.00 0.18 0.02 0.00 -1.18 0.00 0.00 61.69 60.70 2ctn s THR 71 Cb 0.00 -3.38 0.08 0.00 1.34 0.00 0.00 72.50 70.54 2ctn s THR 71 CO 0.00 0.58 -0.01 -0.69 -0.54 0.00 0.00 174.62 173.96 2ctn s VAL 72 N -0.74 1.68 0.00 2.29 1.01 0.32 -4.88 120.40 120.09 2ctn s VAL 72 Ca 0.13 -1.59 0.00 0.00 0.00 0.00 0.00 61.98 60.53 2ctn s VAL 72 Cb -0.12 -2.06 0.00 0.00 0.00 0.00 0.00 36.38 34.21 2ctn s VAL 72 CO 0.03 -0.32 0.00 -0.90 0.00 0.00 0.00 175.10 173.91 2ctn n ASP 73 N 4.57 0.00 0.18 3.32 5.68 -1.26 -2.17 116.55 126.86 2ctn n ASP 73 Ca -0.06 -0.02 0.13 0.00 -0.50 0.00 0.00 54.79 54.34 2ctn n ASP 73 Cb 0.43 0.00 0.62 0.00 -1.14 0.00 0.00 41.12 41.03 2ctn n ASP 73 CO 0.00 0.00 0.00 0.15 -1.33 0.00 0.00 177.20 176.02 2ctn h PHE 74 N -0.01 0.00 0.00 2.11 3.57 -1.98 -2.24 116.94 118.38 2ctn h PHE 74 Ca 0.00 0.00 -0.11 0.00 3.53 0.00 0.00 57.97 61.39 2ctn h PHE 74 Cb 0.00 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 38.72 2ctn h PHE 74 CO 0.00 0.00 -1.01 -3.47 -2.23 0.00 0.00 178.31 171.60 2ctn n ASP 75 N -2.40 1.86 -0.26 0.41 -0.08 -1.26 -3.68 116.55 111.15 2ctn n ASP 75 Ca -0.00 0.49 0.03 0.00 -1.51 0.00 0.00 54.79 53.81 2ctn n ASP 75 Cb 0.13 -0.86 0.17 0.00 2.34 0.00 0.00 41.12 42.89 2ctn n ASP 75 CO 0.00 0.00 0.00 -0.33 0.12 0.00 0.00 177.20 176.99 2ctn h GLU 76 N -1.00 0.57 0.72 -0.67 5.08 -1.87 0.41 114.58 117.82 2ctn h GLU 76 Ca -0.16 -0.03 -0.03 0.00 -1.00 0.00 0.00 59.36 58.13 2ctn h GLU 76 Cb 0.92 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 30.04 2ctn h GLU 76 CO -0.10 0.38 -0.40 0.35 -1.00 0.00 0.00 179.01 178.24 2ctn h PHE 77 N 0.59 -1.07 -0.24 4.33 3.04 -1.61 1.14 116.94 123.13 2ctn h PHE 77 Ca 0.39 -0.02 0.07 0.00 3.98 0.00 0.00 57.97 62.39 2ctn h PHE 77 Cb 0.47 0.37 -0.01 0.00 2.56 0.00 0.00 35.95 39.34 2ctn h PHE 77 CO -0.11 -0.62 0.22 -0.07 -2.02 0.00 0.00 178.31 175.71 2ctn h LEU 78 N -1.04 0.00 0.00 0.59 3.38 -1.57 0.17 115.31 116.84 2ctn h LEU 78 Ca -0.10 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.83 2ctn h LEU 78 Cb 0.82 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.56 2ctn h LEU 78 CO 0.12 0.00 -0.27 0.58 0.09 0.00 0.00 178.44 178.96 2ctn h VAL 79 N 0.00 1.01 0.00 1.22 2.07 -0.30 -2.90 116.25 117.36 2ctn h VAL 79 Ca 0.11 -1.85 -0.02 0.00 0.82 0.00 0.00 66.70 65.77 2ctn h VAL 79 Cb 0.56 2.00 -0.00 0.00 -1.52 0.00 0.00 31.29 32.33 2ctn h VAL 79 CO -0.00 0.34 -0.09 0.00 0.02 0.00 0.00 177.57 177.84 2ctn h MET 80 N -1.00 0.00 0.00 1.57 -0.00 0.17 -1.39 114.93 114.28 2ctn h MET 80 Ca -0.06 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.64 2ctn h MET 80 Cb 0.75 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.35 2ctn h MET 80 CO -0.04 0.09 -0.36 0.00 -0.00 0.00 0.00 176.91 176.60 2ctn h MET 81 N 0.00 0.00 0.81 -0.10 3.00 -0.78 -3.26 114.93 114.60 2ctn h MET 81 Ca -0.00 0.00 -0.04 0.00 0.00 0.00 0.00 59.70 59.66 2ctn h MET 81 Cb 0.24 0.00 0.01 0.00 0.00 0.00 0.00 31.60 31.85 2ctn h MET 81 CO 0.01 0.00 -0.39 0.28 0.00 0.00 0.00 176.91 176.81 2ctn h VAL 82 N 0.00 0.04 -0.26 -0.10 2.07 -1.02 -2.11 116.25 114.88 2ctn h VAL 82 Ca 0.00 -0.18 0.07 0.00 0.82 0.00 0.00 66.70 67.42 2ctn h VAL 82 Cb 0.98 0.06 -0.01 0.00 -1.52 0.00 0.00 31.29 30.79 2ctn h VAL 82 CO 0.00 0.00 0.19 0.03 0.02 0.00 0.00 177.57 177.81 2ctn h ARG 83 N -1.26 0.00 -0.01 1.57 3.08 -1.70 0.36 114.38 116.42 2ctn h ARG 83 Ca -0.11 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.94 2ctn h ARG 83 Cb 0.84 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.89 2ctn h ARG 83 CO 0.18 0.00 0.00 0.43 -1.07 0.00 0.00 179.97 179.51 2ctn n SER 84 N -4.39 0.15 -3.41 7.04 7.64 -1.02 -4.14 113.62 115.49 2ctn n SER 84 Ca 0.03 -1.44 -0.32 0.00 1.01 0.00 0.00 58.87 58.15 2ctn n SER 84 Cb 0.34 -0.01 -0.04 0.00 -1.01 0.00 0.00 64.21 63.49 2ctn n SER 84 CO 0.00 0.00 0.00 0.23 -3.01 0.00 0.00 175.04 172.26 2ctn n MET 85 N -0.69 3.45 -4.39 1.43 2.81 0.13 -5.04 117.12 114.82 2ctn n MET 85 Ca 0.14 -4.71 -0.28 0.00 -1.81 0.00 0.00 57.70 51.04 2ctn n MET 85 Cb 0.09 -2.32 -0.12 0.00 -0.71 0.00 0.00 33.22 30.15 2ctn n MET 85 CO 0.00 0.00 0.00 0.15 1.51 0.00 0.00 175.97 177.63 2ctn s LYS 86 N -3.06 1.52 -0.29 0.03 -0.14 -1.26 -5.01 119.74 111.53 2ctn s LYS 86 Ca 0.41 -1.42 0.04 0.00 -1.36 0.00 0.00 55.97 53.64 2ctn s LYS 86 Cb 0.17 -1.90 0.48 0.00 -1.68 0.00 0.00 37.83 34.90 2ctn s LYS 86 CO -0.04 0.43 1.59 -0.40 -0.76 0.00 0.00 175.35 176.17 2ctn n ASP 87 N 0.55 3.66 0.00 2.83 5.75 -1.26 -3.88 116.55 124.21 2ctn n ASP 87 Ca -0.15 -3.03 0.00 0.00 -0.01 0.00 0.00 54.79 51.60 2ctn n ASP 87 Cb 0.54 -0.72 0.00 0.00 -1.03 0.00 0.00 41.12 39.92 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 -0.45 0.39 -0.85 -1.12 8.00 -1.26 -5.34 116.55 115.92 2ctn n ASP 88 Ca 0.38 -0.76 0.11 0.00 0.71 0.00 0.00 54.79 55.22 2ctn n ASP 88 Cb 1.24 0.20 0.09 0.00 -0.02 0.00 0.00 41.12 42.63 2ctn n ASP 88 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27