#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ctn s ASP 3 N 0.00 6.45 -0.13 0.00 1.01 -1.26 -4.92 116.67 117.83 2ctn s ASP 3 Ca 0.00 0.55 -0.02 0.00 0.71 0.00 0.00 52.55 53.79 2ctn s ASP 3 Cb 0.00 -2.29 -0.08 0.00 1.01 0.00 0.00 42.92 41.57 2ctn s ASP 3 CO 0.00 -0.29 -0.14 -0.38 0.21 0.00 0.00 175.17 174.57 2ctn n ILE 4 N 5.12 0.75 -0.06 0.77 5.41 -1.26 -4.65 119.36 125.45 2ctn n ILE 4 Ca -0.04 -0.25 -0.21 0.00 1.00 0.00 0.00 62.75 63.25 2ctn n ILE 4 Cb 0.50 -1.22 -0.13 0.00 -0.71 0.00 0.00 39.64 38.08 2ctn n ILE 4 CO 0.00 0.00 0.00 -1.22 0.00 0.00 0.00 176.55 175.33 2ctn n TYR 5 N -3.14 0.74 -0.31 1.39 4.01 -1.26 -4.28 117.16 114.31 2ctn n TYR 5 Ca -0.25 0.18 0.15 0.00 -0.16 0.00 0.00 57.90 57.82 2ctn n TYR 5 Cb 0.73 -1.09 0.32 0.00 -0.31 0.00 0.00 39.34 38.98 2ctn n TYR 5 CO 0.00 0.00 0.00 -0.22 -0.46 0.00 0.00 176.86 176.18 2ctn h LYS 6 N -0.13 0.18 -0.63 -0.72 1.63 -1.96 1.22 116.57 116.16 2ctn h LYS 6 Ca -0.49 -0.01 0.17 0.00 -0.85 0.00 0.00 60.65 59.47 2ctn h LYS 6 Cb 1.89 -0.04 -0.03 0.00 -0.60 0.00 0.00 32.23 33.45 2ctn h LYS 6 CO -0.03 0.12 0.45 0.00 -3.45 0.00 0.00 179.45 176.53 2ctn h ALA 7 N 1.82 2.47 0.10 5.00 0.00 -1.83 0.29 119.26 127.12 2ctn h ALA 7 Ca 0.59 -0.02 -0.14 0.00 0.00 0.00 0.00 54.91 55.34 2ctn h ALA 7 Cb 1.23 0.02 0.02 0.00 0.00 0.00 0.00 17.79 19.06 2ctn h ALA 7 CO -0.69 -0.65 -0.61 0.00 0.00 0.00 0.00 179.25 177.30 2ctn h ALA 8 N 1.69 -0.06 -0.07 0.00 0.00 0.13 -3.30 119.26 117.65 2ctn h ALA 8 Ca 0.30 -0.65 -0.07 0.00 0.00 0.00 0.00 54.91 54.49 2ctn h ALA 8 Cb 1.08 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.94 2ctn h ALA 8 CO -0.03 0.29 -0.26 0.28 0.00 0.00 0.00 179.25 179.53 2ctn h VAL 9 N -0.54 1.22 0.00 0.00 2.07 -0.63 -1.69 116.25 116.68 2ctn h VAL 9 Ca -0.11 -1.02 0.00 0.00 0.82 0.00 0.00 66.70 66.39 2ctn h VAL 9 Cb 1.48 1.45 0.00 0.00 -1.52 0.00 0.00 31.29 32.70 2ctn h VAL 9 CO 0.11 0.30 0.00 -0.62 0.02 0.00 0.00 177.57 177.38 2ctn n GLU 10 N -4.19 0.15 0.00 1.57 -0.58 0.94 -1.54 120.64 116.99 2ctn n GLU 10 Ca -0.01 0.48 0.10 0.00 -0.42 0.00 0.00 57.16 57.30 2ctn n GLU 10 Cb 0.34 -1.84 0.03 0.00 -0.57 0.00 0.00 31.44 29.40 2ctn n GLU 10 CO 0.00 0.00 0.00 1.04 -0.48 0.00 0.00 177.13 177.69 2ctn n GLN 11 N -2.14 1.62 -0.26 3.49 6.02 -0.64 -4.99 117.38 120.48 2ctn n GLN 11 Ca 0.01 -1.25 -0.16 0.00 -0.01 0.00 0.00 57.00 55.59 2ctn n GLN 11 Cb 0.15 -1.38 0.15 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 0.45 0.00 -4.72 1.08 4.77 -0.59 -5.00 117.00 113.00 2ctn n LEU 12 Ca 0.10 -0.45 -0.28 0.00 -0.03 0.00 0.00 56.01 55.34 2ctn n LEU 12 Cb 0.45 -0.61 -0.07 0.00 -2.33 0.00 0.00 43.42 40.86 2ctn n LEU 12 CO 0.19 -2.25 -0.30 0.42 -1.33 0.00 0.00 177.39 174.12 2ctn s THR 13 N -1.68 4.11 0.64 -5.08 -4.23 -1.26 -4.95 115.64 103.19 2ctn s THR 13 Ca 0.34 -1.08 0.32 0.00 -1.18 0.00 0.00 61.69 60.09 2ctn s THR 13 Cb -0.06 -3.02 0.34 0.00 1.34 0.00 0.00 72.50 71.11 2ctn s THR 13 CO 0.29 0.02 2.02 -0.08 -0.54 0.00 0.00 174.62 176.32 2ctn h GLU 14 N 3.02 0.00 0.10 3.99 4.81 -1.98 0.15 114.58 124.67 2ctn h GLU 14 Ca -0.47 0.00 -0.27 0.00 -0.13 0.00 0.00 59.36 58.49 2ctn h GLU 14 Cb 1.18 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.56 2ctn h GLU 14 CO 0.61 0.00 -1.24 0.93 -0.73 0.00 0.00 179.01 178.58 2ctn h GLU 15 N 0.00 0.21 0.12 1.92 5.08 -2.00 -3.07 114.58 116.84 2ctn h GLU 15 Ca 0.04 -0.36 -0.31 0.00 -1.00 0.00 0.00 59.36 57.74 2ctn h GLU 15 Cb 0.60 0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.98 2ctn h GLU 15 CO -0.00 1.15 -1.53 0.37 -1.00 0.00 0.00 179.01 178.00 2ctn h GLN 16 N 0.06 0.26 0.00 2.33 5.75 -1.22 -3.25 115.11 119.04 2ctn h GLN 16 Ca -0.13 -0.44 0.00 0.00 -0.15 0.00 0.00 58.65 57.93 2ctn h GLN 16 Cb 1.94 0.16 0.00 0.00 1.07 0.00 0.00 27.48 30.65 2ctn h GLN 16 CO 0.18 1.13 0.00 -0.22 -2.65 0.00 0.00 178.83 177.27 2ctn h LYS 17 N 0.07 0.00 0.00 1.69 1.63 -1.01 -3.00 116.57 115.95 2ctn h LYS 17 Ca -0.24 0.00 -0.01 0.00 -0.85 0.00 0.00 60.65 59.55 2ctn h LYS 17 Cb 2.02 0.00 -0.00 0.00 -0.60 0.00 0.00 32.23 33.65 2ctn h LYS 17 CO 0.17 0.00 -0.05 -0.91 -3.45 0.00 0.00 179.45 175.21 2ctn h ASN 18 N 0.00 0.00 -0.26 4.20 2.35 -1.59 -2.60 115.58 117.68 2ctn h ASN 18 Ca 0.00 -0.55 0.06 0.00 -0.55 0.00 0.00 56.30 55.26 2ctn h ASN 18 Cb 0.40 0.00 -0.06 0.00 0.05 0.00 0.00 38.32 38.71 2ctn h ASN 18 CO 0.00 0.80 -0.12 -0.08 -1.65 0.00 0.00 177.43 176.38 2ctn h GLU 19 N -1.00 -0.08 0.72 0.81 4.81 -1.58 2.06 114.58 120.32 2ctn h GLU 19 Ca -0.01 0.01 -0.04 0.00 -0.13 0.00 0.00 59.36 59.19 2ctn h GLU 19 Cb 0.58 0.02 0.01 0.00 0.63 0.00 0.00 28.75 29.98 2ctn h GLU 19 CO -0.01 -0.05 -0.35 0.74 -0.73 0.00 0.00 179.01 178.61 2ctn h PHE 20 N -0.08 -0.90 -0.76 0.92 0.04 -1.68 0.32 116.94 114.79 2ctn h PHE 20 Ca 0.14 -0.02 -0.02 0.00 2.80 0.00 0.00 57.97 60.87 2ctn h PHE 20 Cb 0.29 0.30 -0.04 0.00 2.20 0.00 0.00 35.95 38.70 2ctn h PHE 20 CO -0.30 -0.54 0.40 -0.22 -0.60 0.00 0.00 178.31 177.04 2ctn h LYS 21 N -1.05 1.07 0.77 1.51 3.64 -1.24 -2.44 116.57 118.84 2ctn h LYS 21 Ca -0.10 -0.14 -0.04 0.00 -1.27 0.00 0.00 60.65 59.11 2ctn h LYS 21 Cb 0.76 -0.20 0.01 0.00 -0.41 0.00 0.00 32.23 32.38 2ctn h LYS 21 CO 0.16 0.81 -0.37 0.00 -2.27 0.00 0.00 179.45 177.78 2ctn h ALA 22 N 1.21 -1.04 -1.24 5.00 0.00 0.35 -2.50 119.26 121.03 2ctn h ALA 22 Ca 0.27 -0.24 0.36 0.00 0.00 0.00 0.00 54.91 55.30 2ctn h ALA 22 Cb 0.06 0.40 -0.09 0.00 0.00 0.00 0.00 17.79 18.16 2ctn h ALA 22 CO -0.04 -1.00 0.84 0.00 0.00 0.00 0.00 179.25 179.05 2ctn h ALA 23 N -1.09 2.77 -0.40 0.00 0.00 -0.31 0.49 119.26 120.72 2ctn h ALA 23 Ca -0.11 0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.81 2ctn h ALA 23 Cb 0.81 0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.69 2ctn h ALA 23 CO 0.17 -1.23 0.13 0.35 0.00 0.00 0.00 179.25 178.67 2ctn h PHE 24 N 0.16 0.63 0.00 0.00 3.04 -1.00 0.13 116.94 119.89 2ctn h PHE 24 Ca 0.68 -0.06 0.00 0.00 3.98 0.00 0.00 57.97 62.57 2ctn h PHE 24 Cb 2.23 -0.18 0.00 0.00 2.56 0.00 0.00 35.95 40.55 2ctn h PHE 24 CO -0.00 0.58 0.00 -0.25 -2.02 0.00 0.00 178.31 176.62 2ctn n ASP 25 N -4.61 0.00 -0.02 0.41 9.92 0.17 -1.00 116.55 121.42 2ctn n ASP 25 Ca -0.00 0.25 0.05 0.00 -0.53 0.00 0.00 54.79 54.55 2ctn n ASP 25 Cb 0.17 -0.38 -0.05 0.00 -0.64 0.00 0.00 41.12 40.21 2ctn n ASP 25 CO 0.00 0.00 0.00 -0.38 0.13 0.00 0.00 177.20 176.95 2ctn n ILE 26 N -1.38 0.00 0.02 0.53 5.41 -0.73 -4.57 119.36 118.63 2ctn n ILE 26 Ca 0.06 -0.27 0.03 0.00 1.00 0.00 0.00 62.75 63.57 2ctn n ILE 26 Cb 0.16 1.01 -0.04 0.00 -0.71 0.00 0.00 39.64 40.06 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 -1.17 0.00 0.86 1.39 3.72 -0.05 -4.50 117.46 117.72 2ctn n PHE 27 Ca 0.02 0.00 0.13 0.00 -0.05 0.00 0.00 57.45 57.55 2ctn n PHE 27 Cb 0.17 -0.11 0.54 0.00 -0.94 0.00 0.00 39.48 39.14 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 -1.63 0.25 -0.20 -4.37 0.31 -0.17 -3.43 118.33 109.08 2ctn n VAL 28 Ca -0.01 0.01 0.28 0.00 -0.01 0.00 0.00 64.34 64.61 2ctn n VAL 28 Cb 0.13 -0.61 0.69 0.00 -0.91 0.00 0.00 33.84 33.15 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 0.00 0.06 -0.05 7.52 -0.00 -1.80 1.15 115.31 122.20 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 0.48 -0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.14 2ctn h LEU 29 CO 0.00 0.02 -0.65 0.61 -0.00 0.00 0.00 178.44 178.42 2ctn n GLY 30 N -1.69 -1.10 0.00 0.83 0.00 -1.22 -4.91 105.19 97.10 2ctn n GLY 30 Ca 0.19 -0.44 0.00 0.00 0.00 0.00 0.00 46.02 45.77 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 -1.42 0.00 0.00 4.61 0.00 0.40 -5.01 120.51 119.09 2ctn n ALA 31 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.49 2ctn n ALA 31 Cb 0.34 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.79 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 0.00 1.37 -0.91 0.00 4.07 -1.26 -4.89 120.64 119.02 2ctn n GLU 32 Ca 0.00 0.00 0.01 0.00 -0.06 0.00 0.00 57.16 57.11 2ctn n GLU 32 Cb 0.00 -0.68 0.01 0.00 -0.06 0.00 0.00 31.44 30.70 2ctn n GLU 32 CO 0.00 0.00 0.00 -3.47 -0.06 0.00 0.00 177.13 173.60 2ctn n ASP 33 N -1.09 0.36 -1.14 4.31 2.03 -1.26 -5.02 116.55 114.74 2ctn n ASP 33 Ca 0.00 -1.95 0.00 0.00 0.52 0.00 0.00 54.79 53.36 2ctn n ASP 33 Cb 0.18 -0.21 0.00 0.00 -0.72 0.00 0.00 41.12 40.37 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 0.20 0.31 3.83 0.27 0.00 -1.26 -5.10 105.19 103.43 2ctn n GLY 34 Ca 0.01 -0.36 -0.08 0.00 0.00 0.00 0.00 46.02 45.60 2ctn n GLY 34 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2ctn s SER 35 N -2.27 -0.12 -0.29 1.61 0.01 -1.26 -4.77 113.70 106.60 2ctn s SER 35 Ca 0.00 -0.88 -0.02 0.00 1.31 0.00 0.00 55.95 56.35 2ctn s SER 35 Cb 0.00 0.79 0.12 0.00 0.21 0.00 0.00 66.02 67.13 2ctn s SER 35 CO 0.00 -1.52 0.20 -0.63 0.41 0.00 0.00 173.24 171.71 2ctn s ILE 36 N -3.08 -0.22 0.87 1.44 1.01 0.09 -4.64 121.20 116.67 2ctn s ILE 36 Ca 0.13 -0.62 -0.13 0.00 0.00 0.00 0.00 60.65 60.04 2ctn s ILE 36 Cb -0.05 -0.97 0.14 0.00 0.01 0.00 0.00 42.46 41.58 2ctn s ILE 36 CO 0.09 -0.60 1.22 -0.94 0.00 0.00 0.00 174.94 174.71 2ctn s SER 37 N 2.22 3.89 0.24 3.58 1.04 -1.26 -1.43 113.70 121.98 2ctn s SER 37 Ca 0.09 0.46 0.15 0.00 0.48 0.00 0.00 55.95 57.13 2ctn s SER 37 Cb -0.15 -0.75 0.81 0.00 0.10 0.00 0.00 66.02 66.02 2ctn s SER 37 CO -0.34 -2.26 1.42 1.07 0.98 0.00 0.00 173.24 174.11 2ctn n THR 38 N -3.46 1.16 0.08 2.02 5.66 -0.51 0.26 114.28 119.48 2ctn n THR 38 Ca 0.12 0.68 -0.19 0.00 -3.05 0.00 0.00 64.05 61.60 2ctn n THR 38 Cb 0.60 -1.68 -0.15 0.00 -1.55 0.00 0.00 70.33 67.55 2ctn n THR 38 CO 0.00 0.00 0.00 0.11 -3.05 0.00 0.00 175.07 172.13 2ctn h LYS 39 N 0.00 0.33 0.00 1.09 1.79 -1.90 -3.21 116.57 114.67 2ctn h LYS 39 Ca 0.00 -0.56 0.00 0.00 -2.18 0.00 0.00 60.65 57.91 2ctn h LYS 39 Cb 0.13 0.21 0.00 0.00 -1.58 0.00 0.00 32.23 30.98 2ctn h LYS 39 CO 0.00 1.22 -1.20 -0.85 -1.08 0.00 0.00 179.45 177.54 2ctn n GLU 40 N -3.53 1.31 0.15 3.15 0.28 -0.37 -4.54 120.64 117.08 2ctn n GLU 40 Ca -0.18 -0.07 -0.25 0.00 -0.16 0.00 0.00 57.16 56.50 2ctn n GLU 40 Cb 1.06 -1.19 -0.16 0.00 1.43 0.00 0.00 31.44 32.58 2ctn n GLU 40 CO 0.00 0.00 0.00 1.25 -0.16 0.00 0.00 177.13 178.22 2ctn h LEU 41 N 0.00 0.84 -1.17 -1.84 7.12 0.35 -3.27 115.31 117.34 2ctn h LEU 41 Ca 0.00 -0.92 0.22 0.00 0.13 0.00 0.00 57.88 57.31 2ctn h LEU 41 Cb 0.44 -0.28 -0.10 0.00 -0.53 0.00 0.00 40.66 40.20 2ctn h LEU 41 CO 0.00 1.71 0.62 1.23 -0.13 0.00 0.00 178.44 181.87 2ctn h GLY 42 N 0.14 1.53 1.79 3.75 0.00 -1.66 0.62 103.07 109.25 2ctn h GLY 42 Ca -0.26 -0.29 -0.01 0.00 0.00 0.00 0.00 47.33 46.78 2ctn h GLY 42 CO 0.27 -0.10 0.10 0.50 0.00 0.00 0.00 176.54 177.31 2ctn h LYS 43 N 0.59 0.28 -0.06 4.80 1.57 -1.81 -2.62 116.57 119.32 2ctn h LYS 43 Ca 0.58 -0.02 -0.09 0.00 -1.87 0.00 0.00 60.65 59.25 2ctn h LYS 43 Cb 1.14 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 33.40 2ctn h LYS 43 CO -0.35 0.22 -0.31 0.28 -0.57 0.00 0.00 179.45 178.72 2ctn h VAL 44 N 0.28 1.44 -0.86 0.50 2.07 0.11 -3.24 116.25 116.55 2ctn h VAL 44 Ca 0.07 -1.74 0.22 0.00 0.82 0.00 0.00 66.70 66.07 2ctn h VAL 44 Cb 0.03 2.38 -0.14 0.00 -1.52 0.00 0.00 31.29 32.04 2ctn h VAL 44 CO -0.01 0.50 0.22 0.24 0.02 0.00 0.00 177.57 178.53 2ctn h MET 45 N -0.20 0.20 0.00 1.57 2.86 -1.02 1.08 114.93 119.42 2ctn h MET 45 Ca -0.02 -0.01 -0.00 0.00 -2.06 0.00 0.00 59.70 57.60 2ctn h MET 45 Cb 0.97 -0.05 -0.00 0.00 0.06 0.00 0.00 31.60 32.58 2ctn h MET 45 CO 0.06 0.13 -0.02 -0.09 1.06 0.00 0.00 176.91 178.06 2ctn h ARG 46 N 0.21 0.00 0.00 1.72 2.43 -1.56 -1.33 114.38 115.85 2ctn h ARG 46 Ca 0.53 0.00 -0.05 0.00 -0.81 0.00 0.00 59.98 59.65 2ctn h ARG 46 Cb 1.05 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.59 2ctn h ARG 46 CO -0.64 0.02 -0.24 0.00 -1.51 0.00 0.00 179.97 177.60 2ctn h MET 47 N 0.00 0.00 -0.11 0.20 -0.00 0.11 -3.08 114.93 112.05 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 0.15 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 31.75 2ctn h MET 47 CO 0.00 0.23 0.00 1.28 -0.00 0.00 0.00 176.91 178.42 2ctn n LEU 48 N -3.15 0.72 0.00 -0.10 7.99 -0.52 -4.83 117.00 117.11 2ctn n LEU 48 Ca 0.03 -0.34 0.00 0.00 -0.01 0.00 0.00 56.01 55.69 2ctn n LEU 48 Cb 0.62 -0.07 0.00 0.00 -0.11 0.00 0.00 43.42 43.86 2ctn n LEU 48 CO 0.37 0.17 0.00 0.61 -1.51 0.00 0.00 177.39 177.03 2ctn n GLY 49 N 0.82 0.69 3.68 -0.72 0.00 -1.16 -5.06 105.19 103.44 2ctn n GLY 49 Ca 0.09 -0.73 -0.29 0.00 0.00 0.00 0.00 46.02 45.09 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 -2.56 2.52 -0.51 1.61 -1.52 -1.11 -5.04 119.66 113.06 2ctn s GLN 50 Ca 0.00 -0.88 0.07 0.00 -1.95 0.00 0.00 55.36 52.60 2ctn s GLN 50 Cb 0.00 -2.51 0.35 0.00 -0.22 0.00 0.00 33.01 30.63 2ctn s GLN 50 CO 0.00 0.53 0.90 -1.71 -0.25 0.00 0.00 175.29 174.76 2ctn n ASN 51 N 0.44 3.46 -3.39 5.90 5.15 -1.26 -3.97 115.26 121.60 2ctn n ASN 51 Ca -0.11 -3.49 0.00 0.00 -0.60 0.00 0.00 54.58 50.39 2ctn n ASN 51 Cb 0.52 -0.57 0.00 0.00 -0.53 0.00 0.00 39.78 39.21 2ctn n ASN 51 CO 0.00 0.00 0.00 -0.81 1.40 0.00 0.00 177.26 177.85 2ctn n PRO 52 N -0.12 0.96 -4.00 1.20 -0.04 -1.26 -5.10 135.00 126.64 2ctn n PRO 52 Ca 0.29 0.00 -0.10 0.00 -0.04 0.00 0.00 63.50 63.66 2ctn n PRO 52 Cb 0.49 0.00 -0.06 0.00 -0.04 0.00 0.00 33.50 33.89 2ctn n PRO 52 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 2ctn s THR 53 N -0.02 0.02 0.17 0.52 -4.23 -1.26 -5.02 115.64 105.82 2ctn s THR 53 Ca 0.00 -1.45 0.29 0.00 -1.18 0.00 0.00 61.69 59.35 2ctn s THR 53 Cb 0.00 -2.12 0.32 0.00 1.34 0.00 0.00 72.50 72.04 2ctn s THR 53 CO 0.00 -0.08 1.94 1.55 -0.54 0.00 0.00 174.62 177.49 2ctn h PRO 54 N 2.38 0.00 0.22 3.99 0.13 -1.99 0.81 132.00 137.54 2ctn h PRO 54 Ca -0.29 0.00 -0.29 0.00 -0.87 0.00 0.00 66.00 64.55 2ctn h PRO 54 Cb 1.25 0.00 0.03 0.00 0.13 0.00 0.00 31.00 32.41 2ctn h PRO 54 CO 0.41 0.11 -1.26 1.05 -0.23 0.00 0.00 178.00 178.08 2ctn h GLU 55 N 0.00 0.46 0.00 0.86 4.11 -2.02 -3.32 114.58 114.67 2ctn h GLU 55 Ca -0.00 -0.78 -0.15 0.00 0.07 0.00 0.00 59.36 58.50 2ctn h GLU 55 Cb 0.57 0.29 -0.02 0.00 0.50 0.00 0.00 28.75 30.09 2ctn h GLU 55 CO 0.01 1.38 -0.74 0.93 0.07 0.00 0.00 179.01 180.66 2ctn h GLU 56 N -0.04 0.00 -0.41 1.06 4.39 -1.93 -3.13 114.58 114.52 2ctn h GLU 56 Ca -0.22 0.00 0.05 0.00 0.34 0.00 0.00 59.36 59.53 2ctn h GLU 56 Cb 1.99 0.00 -0.08 0.00 -0.10 0.00 0.00 28.75 30.56 2ctn h GLU 56 CO 0.23 0.66 -0.56 1.25 -1.16 0.00 0.00 179.01 179.43 2ctn h LEU 57 N 0.00 -1.86 -0.32 1.33 5.85 -0.93 -0.50 115.31 118.88 2ctn h LEU 57 Ca -0.02 0.24 -0.18 0.00 0.84 0.00 0.00 57.88 58.77 2ctn h LEU 57 Cb 1.54 0.76 -0.00 0.00 0.37 0.00 0.00 40.66 43.33 2ctn h LEU 57 CO 0.09 -0.40 -0.49 1.56 -0.34 0.00 0.00 178.44 178.86 2ctn h GLN 58 N -0.39 0.90 -0.96 1.25 4.20 -1.71 -2.73 115.11 115.66 2ctn h GLN 58 Ca 0.07 -0.54 0.30 0.00 0.06 0.00 0.00 58.65 58.55 2ctn h GLN 58 Cb 0.59 0.05 -0.16 0.00 0.30 0.00 0.00 27.48 28.26 2ctn h GLN 58 CO -0.60 1.18 0.38 1.49 -0.67 0.00 0.00 178.83 180.61 2ctn h GLU 59 N 0.69 0.18 0.12 1.46 4.81 -1.20 0.86 114.58 121.50 2ctn h GLU 59 Ca 0.03 -0.01 -0.28 0.00 -0.13 0.00 0.00 59.36 58.97 2ctn h GLU 59 Cb 1.09 -0.04 0.02 0.00 0.63 0.00 0.00 28.75 30.45 2ctn h GLU 59 CO 0.11 0.12 -1.22 0.52 -0.73 0.00 0.00 179.01 177.81 2ctn h MET 60 N 0.18 0.45 0.53 1.92 2.86 -1.03 -3.26 114.93 116.57 2ctn h MET 60 Ca 0.68 -0.65 -0.03 0.00 -2.06 0.00 0.00 59.70 57.64 2ctn h MET 60 Cb 1.53 0.22 0.01 0.00 0.06 0.00 0.00 31.60 33.42 2ctn h MET 60 CO -0.70 1.28 -0.25 0.82 1.06 0.00 0.00 176.91 179.12 2ctn h ILE 61 N 0.18 0.30 -0.73 -1.22 2.04 0.35 -0.72 117.51 117.70 2ctn h ILE 61 Ca -0.16 -0.43 0.21 0.00 1.00 0.00 0.00 64.86 65.49 2ctn h ILE 61 Cb 1.91 0.42 -0.03 0.00 -0.74 0.00 0.00 36.82 38.38 2ctn h ILE 61 CO 0.22 0.05 0.91 0.44 0.00 0.00 0.00 178.15 179.77 2ctn h ASP 62 N -1.03 0.00 0.00 1.72 5.19 0.29 2.13 116.42 124.71 2ctn h ASP 62 Ca -0.07 0.00 -0.11 0.00 -0.62 0.00 0.00 57.03 56.23 2ctn h ASP 62 Cb 0.62 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 40.11 2ctn h ASP 62 CO 0.12 0.00 -0.80 -0.33 -3.12 0.00 0.00 179.24 175.11 2ctn h GLU 63 N 0.00 0.00 0.00 3.56 5.08 -1.52 -3.38 114.58 118.32 2ctn h GLU 63 Ca 0.35 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.71 2ctn h GLU 63 Cb 2.16 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.41 2ctn h GLU 63 CO -0.00 0.50 0.00 -0.39 -1.00 0.00 0.00 179.01 178.12 2ctn h VAL 64 N -1.00 0.00 -2.65 3.13 -1.51 0.23 -3.40 116.25 111.04 2ctn h VAL 64 Ca -0.16 -0.66 -0.64 0.00 -1.23 0.00 0.00 66.70 64.01 2ctn h VAL 64 Cb 0.86 1.62 -0.15 0.00 -2.13 0.00 0.00 31.29 31.49 2ctn h VAL 64 CO -0.10 0.00 0.53 -0.62 -1.23 0.00 0.00 177.57 176.15 2ctn s ASP 65 N -5.42 6.21 0.00 4.19 2.15 0.71 -4.85 116.67 119.65 2ctn s ASP 65 Ca 0.06 -1.11 0.23 0.00 0.43 0.00 0.00 52.55 52.17 2ctn s ASP 65 Cb 0.08 -2.41 1.39 0.00 -0.30 0.00 0.00 42.92 41.68 2ctn s ASP 65 CO 0.59 -1.39 1.77 -0.62 -0.17 0.00 0.00 175.17 175.34 2ctn n GLU 66 N 7.51 0.76 -0.03 4.34 -0.58 -1.26 -3.00 120.64 128.39 2ctn n GLU 66 Ca -0.02 0.00 -0.00 0.00 -0.42 0.00 0.00 57.16 56.72 2ctn n GLU 66 Cb 0.45 -1.48 -0.08 0.00 -0.57 0.00 0.00 31.44 29.77 2ctn n GLU 66 CO 0.00 0.00 0.00 -0.40 -0.48 0.00 0.00 177.13 176.25 2ctn n ASP 67 N -0.98 2.67 -1.94 1.62 5.68 -1.26 -5.03 116.55 117.31 2ctn n ASP 67 Ca 0.17 0.00 -0.07 0.00 -0.50 0.00 0.00 54.79 54.39 2ctn n ASP 67 Cb 0.08 1.07 0.04 0.00 -1.14 0.00 0.00 41.12 41.17 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 2.19 0.16 0.33 6.12 0.00 -1.16 -4.95 105.19 107.87 2ctn n GLY 68 Ca -0.09 -0.26 0.06 0.00 0.00 0.00 0.00 46.02 45.73 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 -1.58 1.52 -0.63 1.61 3.41 -1.26 -4.95 113.62 111.73 2ctn n SER 69 Ca -0.09 -1.26 -0.08 0.00 -0.26 0.00 0.00 58.87 57.17 2ctn n SER 69 Cb 0.56 0.36 -0.04 0.00 -0.26 0.00 0.00 64.21 64.84 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 0.92 0.82 3.64 5.00 0.00 -1.26 -4.95 105.19 109.36 2ctn n GLY 70 Ca 0.06 -0.03 -0.31 0.00 0.00 0.00 0.00 46.02 45.74 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 -1.77 3.82 -0.14 2.61 -4.23 -1.26 -1.43 115.64 113.24 2ctn s THR 71 Ca 0.00 -0.92 -0.04 0.00 -1.18 0.00 0.00 61.69 59.54 2ctn s THR 71 Cb 0.00 -2.75 0.06 0.00 1.34 0.00 0.00 72.50 71.14 2ctn s THR 71 CO 0.00 0.23 0.11 -0.69 -0.54 0.00 0.00 174.62 173.73 2ctn s VAL 72 N -1.17 -0.14 0.00 2.29 1.01 -0.52 -4.88 120.40 116.99 2ctn s VAL 72 Ca 0.22 0.01 0.00 0.00 0.00 0.00 0.00 61.98 62.21 2ctn s VAL 72 Cb -0.11 -0.48 0.00 0.00 0.00 0.00 0.00 36.38 35.79 2ctn s VAL 72 CO 0.13 -0.14 0.00 0.47 0.00 0.00 0.00 175.10 175.56 2ctn n ASP 73 N 5.29 0.00 0.09 3.32 8.00 -1.26 -0.73 116.55 131.26 2ctn n ASP 73 Ca -0.06 0.00 0.10 0.00 0.71 0.00 0.00 54.79 55.54 2ctn n ASP 73 Cb 0.49 0.00 0.43 0.00 -0.02 0.00 0.00 41.12 42.03 2ctn n ASP 73 CO 0.00 0.00 0.00 0.33 -0.39 0.00 0.00 177.20 177.14 2ctn n PHE 74 N 0.00 0.56 -0.06 1.24 7.35 -1.26 -2.51 117.46 122.79 2ctn n PHE 74 Ca 0.00 0.23 -0.05 0.00 -0.76 0.00 0.00 57.45 56.87 2ctn n PHE 74 Cb 0.00 -0.86 -0.02 0.00 0.35 0.00 0.00 39.48 38.95 2ctn n PHE 74 CO 0.00 0.00 0.00 -3.47 -0.76 0.00 0.00 176.76 172.53 2ctn n ASP 75 N -2.02 1.34 -0.25 -2.13 2.03 -1.26 -4.07 116.55 110.19 2ctn n ASP 75 Ca 0.02 0.39 0.30 0.00 0.52 0.00 0.00 54.79 56.02 2ctn n ASP 75 Cb 0.19 -0.72 0.70 0.00 -0.72 0.00 0.00 41.12 40.57 2ctn n ASP 75 CO 0.00 0.00 0.00 -0.33 -1.92 0.00 0.00 177.20 174.95 2ctn h GLU 76 N -0.71 0.06 0.74 -0.67 5.08 -1.90 -1.43 114.58 115.75 2ctn h GLU 76 Ca 0.00 -0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.32 2ctn h GLU 76 Cb 0.53 -0.01 0.01 0.00 0.50 0.00 0.00 28.75 29.77 2ctn h GLU 76 CO 0.00 0.04 -0.36 0.35 -1.00 0.00 0.00 179.01 178.04 2ctn h PHE 77 N 0.06 -0.92 -0.51 4.33 3.04 -1.68 0.10 116.94 121.36 2ctn h PHE 77 Ca 0.50 -0.02 0.04 0.00 3.98 0.00 0.00 57.97 62.47 2ctn h PHE 77 Cb 1.88 0.31 -0.03 0.00 2.56 0.00 0.00 35.95 40.66 2ctn h PHE 77 CO -0.00 -0.57 0.34 -0.07 -2.02 0.00 0.00 178.31 175.99 2ctn h LEU 78 N -1.05 0.48 -1.36 0.59 3.38 -1.53 0.14 115.31 115.96 2ctn h LEU 78 Ca -0.10 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.86 2ctn h LEU 78 Cb 0.76 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.40 2ctn h LEU 78 CO 0.17 0.33 0.00 0.58 0.09 0.00 0.00 178.44 179.60 2ctn h VAL 79 N 0.55 0.00 0.51 1.22 2.07 -1.08 -2.81 116.25 116.71 2ctn h VAL 79 Ca 0.21 -0.54 -0.03 0.00 0.82 0.00 0.00 66.70 67.16 2ctn h VAL 79 Cb 0.15 1.54 0.01 0.00 -1.52 0.00 0.00 31.29 31.46 2ctn h VAL 79 CO -0.05 0.00 -0.25 -0.03 0.02 0.00 0.00 177.57 177.26 2ctn h MET 80 N 0.00 -0.66 -0.36 1.57 -1.53 0.19 -3.22 114.93 110.91 2ctn h MET 80 Ca 0.00 0.05 -0.00 0.00 -3.44 0.00 0.00 59.70 56.30 2ctn h MET 80 Cb 0.54 0.15 -0.02 0.00 -0.55 0.00 0.00 31.60 31.72 2ctn h MET 80 CO 0.00 -0.44 0.21 0.00 0.14 0.00 0.00 176.91 176.82 2ctn h MET 81 N -1.08 0.49 -0.98 0.39 3.00 -1.59 -1.87 114.93 113.29 2ctn h MET 81 Ca -0.07 -0.04 0.31 0.00 0.00 0.00 0.00 59.70 59.90 2ctn h MET 81 Cb 0.53 -0.10 -0.15 0.00 0.00 0.00 0.00 31.60 31.87 2ctn h MET 81 CO 0.12 0.35 0.50 0.28 0.00 0.00 0.00 176.91 178.16 2ctn h VAL 82 N 0.50 0.29 0.00 -0.10 2.07 -1.51 1.55 116.25 119.05 2ctn h VAL 82 Ca 0.13 -0.10 0.00 0.00 0.82 0.00 0.00 66.70 67.55 2ctn h VAL 82 Cb -0.00 -0.03 0.00 0.00 -1.52 0.00 0.00 31.29 29.74 2ctn h VAL 82 CO -0.02 0.05 -0.88 0.03 0.02 0.00 0.00 177.57 176.77 2ctn h ARG 83 N 0.29 0.00 0.16 1.57 3.08 -1.41 -3.35 114.38 114.73 2ctn h ARG 83 Ca 0.70 0.00 -0.31 0.00 0.07 0.00 0.00 59.98 60.44 2ctn h ARG 83 Cb 1.57 0.00 0.01 0.00 0.08 0.00 0.00 29.97 31.63 2ctn h ARG 83 CO -0.62 0.00 -1.48 1.03 -1.07 0.00 0.00 179.97 177.83 2ctn h SER 84 N 0.00 0.54 0.00 7.04 0.87 0.19 -3.40 113.55 118.79 2ctn h SER 84 Ca 0.00 -0.66 0.00 0.00 -1.23 0.00 0.00 61.79 59.90 2ctn h SER 84 Cb 0.98 -0.17 0.00 0.00 -0.44 0.00 0.00 62.40 62.77 2ctn h SER 84 CO 0.00 1.53 0.00 0.23 -0.53 0.00 0.00 176.83 178.06 2ctn n MET 85 N -3.55 0.00 0.00 2.24 2.81 0.43 -4.93 117.12 114.12 2ctn n MET 85 Ca -0.16 0.01 0.00 0.00 -1.81 0.00 0.00 57.70 55.75 2ctn n MET 85 Cb 1.06 -0.98 0.00 0.00 -0.71 0.00 0.00 33.22 32.58 2ctn n MET 85 CO 0.00 0.00 0.00 1.63 1.51 0.00 0.00 175.97 179.11 2ctn n LYS 86 N -0.54 0.00 0.00 0.03 4.76 -1.26 -4.57 118.16 116.59 2ctn n LYS 86 Ca 0.00 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.44 2ctn n LYS 86 Cb 0.00 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.19 2ctn n LYS 86 CO 0.00 0.00 0.00 -3.47 -1.37 0.00 0.00 177.40 172.56 2ctn n ASP 87 N -3.45 0.00 0.12 4.39 2.03 -1.26 -2.78 116.55 115.59 2ctn n ASP 87 Ca 0.00 0.00 -0.05 0.00 0.52 0.00 0.00 54.79 55.26 2ctn n ASP 87 Cb 0.00 0.00 -0.02 0.00 -0.72 0.00 0.00 41.12 40.38 2ctn n ASP 87 CO 0.00 0.00 0.00 0.44 -1.92 0.00 0.00 177.20 175.72 2ctn h ASP 88 N 0.00 -0.26 -0.02 1.67 3.32 -2.00 -3.57 116.42 115.57 2ctn h ASP 88 Ca 0.00 0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.06 2ctn h ASP 88 Cb 0.00 0.07 0.00 0.00 0.22 0.00 0.00 39.33 39.62 2ctn h ASP 88 CO 0.00 -0.17 0.00 -1.54 -1.72 0.00 0.00 179.24 175.81