#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 0.00 -0.02 0.00 9.92 -1.26 -5.07 116.55 120.12 2ctn n ASP 3 Ca 0.00 0.00 -0.04 0.00 -0.53 0.00 0.00 54.79 54.22 2ctn n ASP 3 Cb 0.00 0.00 -0.01 0.00 -0.64 0.00 0.00 41.12 40.47 2ctn n ASP 3 CO 0.00 0.00 0.00 -0.38 0.13 0.00 0.00 177.20 176.95 2ctn n ILE 4 N 0.00 0.21 0.09 0.53 5.41 -1.26 -4.66 119.36 119.69 2ctn n ILE 4 Ca 0.00 -0.06 -0.04 0.00 1.00 0.00 0.00 62.75 63.65 2ctn n ILE 4 Cb 0.00 -1.35 -0.02 0.00 -0.71 0.00 0.00 39.64 37.57 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 -0.11 0.00 -0.34 1.39 0.05 -1.97 -3.29 116.97 112.70 2ctn h TYR 5 Ca -0.10 0.00 0.04 0.00 0.05 0.00 0.00 58.73 58.73 2ctn h TYR 5 Cb 1.10 0.00 -0.04 0.00 1.01 0.00 0.00 36.73 38.79 2ctn h TYR 5 CO -0.01 0.83 0.09 -0.22 -1.05 0.00 0.00 178.16 177.80 2ctn h LYS 6 N 0.00 0.21 -1.12 4.88 1.63 -1.94 -0.78 116.57 119.46 2ctn h LYS 6 Ca -0.01 -0.01 0.31 0.00 -0.85 0.00 0.00 60.65 60.09 2ctn h LYS 6 Cb 1.54 -0.05 -0.09 0.00 -0.60 0.00 0.00 32.23 33.03 2ctn h LYS 6 CO 0.11 0.14 0.74 0.00 -3.45 0.00 0.00 179.45 176.99 2ctn h ALA 7 N 1.24 2.47 0.04 5.00 0.00 -1.83 0.25 119.26 126.43 2ctn h ALA 7 Ca 0.16 0.06 -0.05 0.00 0.00 0.00 0.00 54.91 55.07 2ctn h ALA 7 Cb 0.16 0.07 0.01 0.00 0.00 0.00 0.00 17.79 18.03 2ctn h ALA 7 CO -0.19 -0.91 -0.23 0.00 0.00 0.00 0.00 179.25 177.92 2ctn h ALA 8 N 1.58 -0.02 0.00 0.00 0.00 -1.35 -3.23 119.26 116.24 2ctn h ALA 8 Ca 0.64 -0.54 0.00 0.00 0.00 0.00 0.00 54.91 55.00 2ctn h ALA 8 Cb 1.84 0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.66 2ctn h ALA 8 CO -0.28 0.10 0.00 0.28 0.00 0.00 0.00 179.25 179.35 2ctn h VAL 9 N -0.80 0.00 0.00 0.00 2.07 -0.09 -0.28 116.25 117.15 2ctn h VAL 9 Ca -0.04 -0.08 0.00 0.00 0.82 0.00 0.00 66.70 67.40 2ctn h VAL 9 Cb 1.16 0.72 0.00 0.00 -1.52 0.00 0.00 31.29 31.65 2ctn h VAL 9 CO 0.04 0.00 0.00 -0.08 0.02 0.00 0.00 177.57 177.55 2ctn h GLU 10 N 0.00 0.00 -0.01 1.57 4.81 -0.59 -2.89 114.58 117.46 2ctn h GLU 10 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 2ctn h GLU 10 Cb 0.11 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.49 2ctn h GLU 10 CO 0.00 0.00 -0.23 1.04 -0.73 0.00 0.00 179.01 179.09 2ctn n GLN 11 N -2.91 1.14 -0.20 1.92 6.02 -0.12 -4.93 117.38 118.30 2ctn n GLN 11 Ca 0.03 -0.74 -0.12 0.00 -0.01 0.00 0.00 57.00 56.16 2ctn n GLN 11 Cb 0.43 -1.48 0.11 0.00 1.02 0.00 0.00 30.24 30.32 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 -0.28 0.00 -4.56 1.08 4.77 -1.09 -4.99 117.00 111.92 2ctn n LEU 12 Ca 0.13 -0.33 -0.32 0.00 -0.03 0.00 0.00 56.01 55.46 2ctn n LEU 12 Cb 0.38 -0.46 -0.11 0.00 -2.33 0.00 0.00 43.42 40.90 2ctn n LEU 12 CO 0.24 -2.03 -0.41 0.42 -1.33 0.00 0.00 177.39 174.28 2ctn s THR 13 N -1.44 3.43 0.61 -5.08 -4.23 -1.26 -4.97 115.64 102.71 2ctn s THR 13 Ca 0.26 -0.89 0.26 0.00 -1.18 0.00 0.00 61.69 60.14 2ctn s THR 13 Cb -0.05 -2.49 0.36 0.00 1.34 0.00 0.00 72.50 71.66 2ctn s THR 13 CO 0.21 0.37 1.55 1.05 -0.54 0.00 0.00 174.62 177.26 2ctn h GLU 14 N 4.49 0.00 0.00 3.99 -0.00 -1.99 2.10 114.58 123.17 2ctn h GLU 14 Ca -0.48 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 58.88 2ctn h GLU 14 Cb 1.16 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 29.91 2ctn h GLU 14 CO 0.52 0.00 0.00 1.49 -0.00 0.00 0.00 179.01 181.02 2ctn h GLU 15 N 0.00 0.00 0.20 1.06 4.81 -2.01 -3.09 114.58 115.55 2ctn h GLU 15 Ca 0.33 0.00 -0.33 0.00 -0.13 0.00 0.00 59.36 59.23 2ctn h GLU 15 Cb 2.07 0.00 0.02 0.00 0.63 0.00 0.00 28.75 31.47 2ctn h GLU 15 CO -0.00 0.00 -1.57 0.37 -0.73 0.00 0.00 179.01 177.08 2ctn h GLN 16 N 0.00 0.42 -0.31 1.92 5.75 0.31 -3.25 115.11 119.94 2ctn h GLN 16 Ca 0.00 -0.73 -0.10 0.00 -0.15 0.00 0.00 58.65 57.67 2ctn h GLN 16 Cb 0.88 0.27 -0.01 0.00 1.07 0.00 0.00 27.48 29.69 2ctn h GLN 16 CO 0.00 1.35 -0.23 0.87 -2.65 0.00 0.00 178.83 178.17 2ctn h LYS 17 N 0.04 0.60 0.39 1.69 6.56 -1.58 -1.68 116.57 122.59 2ctn h LYS 17 Ca -0.30 -0.23 -0.01 0.00 -1.06 0.00 0.00 60.65 59.05 2ctn h LYS 17 Cb 2.06 -0.03 -0.00 0.00 -0.57 0.00 0.00 32.23 33.68 2ctn h LYS 17 CO 0.20 0.79 -0.23 -0.91 -2.06 0.00 0.00 179.45 177.23 2ctn h ASN 18 N 0.53 -0.59 0.30 0.86 2.35 -1.65 0.22 115.58 117.61 2ctn h ASN 18 Ca 0.08 0.03 -0.05 0.00 -0.55 0.00 0.00 56.30 55.81 2ctn h ASN 18 Cb 0.68 0.17 -0.01 0.00 0.05 0.00 0.00 38.32 39.22 2ctn h ASN 18 CO 0.05 -0.38 -0.23 -0.08 -1.65 0.00 0.00 177.43 175.14 2ctn h GLU 19 N -0.59 0.00 0.33 0.81 4.22 -1.58 -2.11 114.58 115.66 2ctn h GLU 19 Ca -0.04 0.00 -0.02 0.00 0.08 0.00 0.00 59.36 59.38 2ctn h GLU 19 Cb 0.49 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.74 2ctn h GLU 19 CO 0.05 0.23 -0.16 0.74 -2.18 0.00 0.00 179.01 177.69 2ctn h PHE 20 N 0.00 -0.42 -0.38 0.92 0.04 -0.71 -1.82 116.94 114.57 2ctn h PHE 20 Ca -0.00 -0.01 0.08 0.00 2.80 0.00 0.00 57.97 60.83 2ctn h PHE 20 Cb 0.44 0.14 -0.07 0.00 2.20 0.00 0.00 35.95 38.66 2ctn h PHE 20 CO 0.00 -0.20 -0.10 0.87 -0.60 0.00 0.00 178.31 178.28 2ctn h LYS 21 N -1.09 -0.01 0.35 1.51 6.56 -0.57 -1.99 116.57 121.34 2ctn h LYS 21 Ca -0.05 0.00 -0.00 0.00 -1.06 0.00 0.00 60.65 59.54 2ctn h LYS 21 Cb 0.40 0.00 -0.03 0.00 -0.57 0.00 0.00 32.23 32.04 2ctn h LYS 21 CO 0.08 -0.00 -0.40 0.00 -2.06 0.00 0.00 179.45 177.06 2ctn h ALA 22 N 1.37 -0.85 -1.20 3.86 0.00 -1.47 -0.64 119.26 120.33 2ctn h ALA 22 Ca 0.18 -0.13 0.39 0.00 0.00 0.00 0.00 54.91 55.36 2ctn h ALA 22 Cb 0.29 0.59 -0.13 0.00 0.00 0.00 0.00 17.79 18.54 2ctn h ALA 22 CO -0.40 -1.02 0.75 0.00 0.00 0.00 0.00 179.25 178.58 2ctn h ALA 23 N -0.40 2.49 0.23 0.00 0.00 -0.78 0.45 119.26 121.25 2ctn h ALA 23 Ca -0.02 0.14 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 2ctn h ALA 23 Cb 0.72 0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.70 2ctn h ALA 23 CO -0.09 -1.11 -0.11 0.35 0.00 0.00 0.00 179.25 178.29 2ctn h PHE 24 N 0.15 -0.29 0.00 0.00 3.04 -0.41 -1.91 116.94 117.52 2ctn h PHE 24 Ca 0.78 -0.01 -0.03 0.00 3.98 0.00 0.00 57.97 62.70 2ctn h PHE 24 Cb 2.27 0.10 -0.00 0.00 2.56 0.00 0.00 35.95 40.87 2ctn h PHE 24 CO -0.01 -0.04 -0.13 -0.44 -2.02 0.00 0.00 178.31 175.68 2ctn h ASP 25 N -0.51 0.00 -0.03 0.41 5.19 0.25 1.23 116.42 122.96 2ctn h ASP 25 Ca -0.03 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.38 2ctn h ASP 25 Cb 0.38 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.89 2ctn h ASP 25 CO 0.05 0.13 0.00 -0.38 -3.12 0.00 0.00 179.24 175.92 2ctn n ILE 26 N -3.90 0.03 0.00 0.35 5.41 0.39 -3.76 119.36 117.89 2ctn n ILE 26 Ca -0.02 -0.14 0.00 0.00 1.00 0.00 0.00 62.75 63.59 2ctn n ILE 26 Cb 0.22 0.02 0.00 0.00 -0.71 0.00 0.00 39.64 39.17 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 -0.35 0.00 1.03 1.39 3.72 -0.31 -4.76 117.46 118.19 2ctn n PHE 27 Ca 0.19 0.00 0.13 0.00 -0.05 0.00 0.00 57.45 57.72 2ctn n PHE 27 Cb 0.22 0.00 0.60 0.00 -0.94 0.00 0.00 39.48 39.36 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 -0.99 0.18 -0.19 -4.37 0.31 0.41 -3.46 118.33 110.23 2ctn n VAL 28 Ca 0.00 0.05 0.27 0.00 -0.01 0.00 0.00 64.34 64.64 2ctn n VAL 28 Cb 0.15 -0.60 0.69 0.00 -0.91 0.00 0.00 33.84 33.16 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 0.07 -2.77 7.52 4.07 -1.74 0.42 115.31 122.88 2ctn h LEU 29 Ca 0.00 0.01 0.00 0.00 0.08 0.00 0.00 57.88 57.97 2ctn h LEU 29 Cb 0.38 -0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.12 2ctn h LEU 29 CO 0.00 0.02 0.00 0.61 -1.08 0.00 0.00 178.44 177.99 2ctn n GLY 30 N -1.68 2.52 0.00 0.83 0.00 -1.22 -5.02 105.19 100.62 2ctn n GLY 30 Ca 0.19 -0.32 0.00 0.00 0.00 0.00 0.00 46.02 45.89 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 0.38 0.00 -0.02 4.61 0.00 0.15 -4.98 120.51 120.65 2ctn n ALA 31 Ca 0.09 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.51 2ctn n ALA 31 Cb 0.39 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.81 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 -1.23 2.58 -3.00 0.00 4.71 -1.26 -4.87 120.64 117.56 2ctn n GLU 32 Ca 0.00 0.01 -0.14 0.00 -0.01 0.00 0.00 57.16 57.01 2ctn n GLU 32 Cb 0.00 -1.10 0.02 0.00 -1.01 0.00 0.00 31.44 29.35 2ctn n GLU 32 CO 0.00 0.00 0.00 -3.47 0.09 0.00 0.00 177.13 173.75 2ctn n ASP 33 N -2.27 -0.53 -3.68 1.62 -0.08 -1.26 -4.94 116.55 105.41 2ctn n ASP 33 Ca -0.07 -3.28 -0.28 0.00 -1.51 0.00 0.00 54.79 49.66 2ctn n ASP 33 Cb 0.62 0.44 0.01 0.00 2.34 0.00 0.00 41.12 44.52 2ctn n ASP 33 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2ctn n GLY 34 N 0.40 -0.49 1.92 0.27 0.00 -1.26 -4.91 105.19 101.12 2ctn n GLY 34 Ca 0.17 0.14 -0.08 0.00 0.00 0.00 0.00 46.02 46.25 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 -2.56 -0.84 -3.64 1.61 3.41 -1.26 -4.82 113.62 105.51 2ctn n SER 35 Ca 0.02 -2.04 -0.29 0.00 -0.26 0.00 0.00 58.87 56.30 2ctn n SER 35 Cb 0.53 1.53 -0.15 0.00 -0.26 0.00 0.00 64.21 65.86 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 -2.63 0.47 0.47 -1.33 1.01 0.18 -4.35 121.20 115.02 2ctn s ILE 36 Ca 0.15 -1.17 -0.19 0.00 0.00 0.00 0.00 60.65 59.44 2ctn s ILE 36 Cb -0.01 -1.37 -0.09 0.00 0.01 0.00 0.00 42.46 41.00 2ctn s ILE 36 CO 0.11 -0.71 0.98 -0.55 0.00 0.00 0.00 174.94 174.77 2ctn s SER 37 N 1.77 6.68 0.56 3.58 0.15 -1.26 -1.42 113.70 123.77 2ctn s SER 37 Ca 0.10 1.70 0.43 0.00 0.70 0.00 0.00 55.95 58.88 2ctn s SER 37 Cb -0.17 -2.53 1.59 0.00 -1.71 0.00 0.00 66.02 63.19 2ctn s SER 37 CO -0.29 -0.54 1.63 0.00 1.20 0.00 0.00 173.24 175.25 2ctn h THR 38 N 1.49 0.15 -0.27 6.45 1.03 -1.87 2.36 112.91 122.25 2ctn h THR 38 Ca -0.48 0.00 -0.14 0.00 -0.01 0.00 0.00 66.41 65.77 2ctn h THR 38 Cb 1.19 0.16 -0.01 0.00 -1.07 0.00 0.00 68.15 68.42 2ctn h THR 38 CO 0.61 0.00 -0.42 0.50 -0.01 0.00 0.00 175.52 176.20 2ctn h LYS 39 N 0.00 0.65 0.00 0.00 3.11 -1.90 -1.70 116.57 116.73 2ctn h LYS 39 Ca 0.74 -0.34 -0.23 0.00 -2.81 0.00 0.00 60.65 58.01 2ctn h LYS 39 Cb 3.10 0.01 -0.04 0.00 -1.00 0.00 0.00 32.23 34.30 2ctn h LYS 39 CO -0.01 0.95 -2.03 -0.85 -2.81 0.00 0.00 179.45 174.70 2ctn n GLU 40 N -4.03 1.20 0.21 1.90 -0.00 0.42 -4.36 120.64 115.99 2ctn n GLU 40 Ca -0.02 -0.04 0.13 0.00 -0.00 0.00 0.00 57.16 57.23 2ctn n GLU 40 Cb 0.53 -1.41 0.28 0.00 -0.00 0.00 0.00 31.44 30.85 2ctn n GLU 40 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.13 178.38 2ctn h LEU 41 N 0.00 0.00 -1.68 -1.84 5.85 0.32 -3.23 115.31 114.74 2ctn h LEU 41 Ca -0.34 0.00 0.23 0.00 0.84 0.00 0.00 57.88 58.61 2ctn h LEU 41 Cb 1.73 0.00 -0.06 0.00 0.37 0.00 0.00 40.66 42.71 2ctn h LEU 41 CO 0.02 0.00 0.62 1.23 -0.34 0.00 0.00 178.44 179.97 2ctn h GLY 42 N 3.72 0.58 1.97 3.75 0.00 -1.43 0.56 103.07 112.22 2ctn h GLY 42 Ca 0.00 -0.12 -0.09 0.00 0.00 0.00 0.00 47.33 47.12 2ctn h GLY 42 CO 0.00 -0.02 -0.45 0.50 0.00 0.00 0.00 176.54 176.58 2ctn h LYS 43 N 0.25 0.00 0.00 4.80 1.57 -1.84 -3.15 116.57 118.20 2ctn h LYS 43 Ca 0.46 0.00 -0.10 0.00 -1.87 0.00 0.00 60.65 59.14 2ctn h LYS 43 Cb 1.40 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.69 2ctn h LYS 43 CO -0.13 0.41 -0.47 0.28 -0.57 0.00 0.00 179.45 178.97 2ctn h VAL 44 N 0.00 0.89 0.02 0.50 2.07 -0.07 -3.04 116.25 116.62 2ctn h VAL 44 Ca -0.01 -2.01 -0.04 0.00 0.82 0.00 0.00 66.70 65.46 2ctn h VAL 44 Cb 1.32 2.26 0.00 0.00 -1.52 0.00 0.00 31.29 33.36 2ctn h VAL 44 CO 0.05 0.46 -0.17 0.24 0.02 0.00 0.00 177.57 178.18 2ctn h MET 45 N 0.00 0.09 0.00 1.57 2.86 -1.29 -3.13 114.93 115.02 2ctn h MET 45 Ca -0.00 -0.12 -0.01 0.00 -2.06 0.00 0.00 59.70 57.51 2ctn h MET 45 Cb 1.22 0.04 -0.00 0.00 0.06 0.00 0.00 31.60 32.92 2ctn h MET 45 CO 0.06 0.97 -0.04 -0.09 1.06 0.00 0.00 176.91 178.87 2ctn h ARG 46 N -0.74 0.00 0.00 1.72 1.12 -1.63 -0.17 114.38 114.68 2ctn h ARG 46 Ca -0.03 0.00 0.00 0.00 -1.11 0.00 0.00 59.98 58.84 2ctn h ARG 46 Cb 1.04 0.00 0.00 0.00 -0.01 0.00 0.00 29.97 31.00 2ctn h ARG 46 CO 0.03 0.04 0.00 0.00 -3.11 0.00 0.00 179.97 176.93 2ctn h MET 47 N 0.00 0.00 0.00 0.20 -0.00 -1.57 -3.15 114.93 110.41 2ctn h MET 47 Ca -0.00 0.00 -0.06 0.00 -0.00 0.00 0.00 59.70 59.64 2ctn h MET 47 Cb 0.08 0.00 -0.01 0.00 -0.00 0.00 0.00 31.60 31.68 2ctn h MET 47 CO 0.00 0.00 -1.13 -0.07 -0.00 0.00 0.00 176.91 175.71 2ctn h LEU 48 N 0.00 0.00 -0.88 -0.10 3.38 -0.99 -3.49 115.31 113.24 2ctn h LEU 48 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2ctn h LEU 48 Cb 0.89 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.64 2ctn h LEU 48 CO 0.00 0.19 0.00 0.61 0.09 0.00 0.00 178.44 179.33 2ctn n GLY 49 N 1.25 0.64 0.56 0.83 0.00 -0.87 -5.04 105.19 102.56 2ctn n GLY 49 Ca -0.03 -0.61 0.02 0.00 0.00 0.00 0.00 46.02 45.40 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 -0.34 0.20 -4.20 1.61 6.02 -1.23 -5.00 117.38 114.44 2ctn n GLN 50 Ca 0.00 -1.38 -0.30 0.00 -0.01 0.00 0.00 57.00 55.32 2ctn n GLN 50 Cb 0.15 -0.60 -0.09 0.00 1.02 0.00 0.00 30.24 30.72 2ctn n GLN 50 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 177.06 174.34 2ctn n ASN 51 N -0.16 0.67 -4.61 1.08 4.05 -1.26 -4.78 115.26 110.26 2ctn n ASN 51 Ca 0.03 -1.20 -0.43 0.00 0.45 0.00 0.00 54.58 53.43 2ctn n ASN 51 Cb 0.74 -1.49 -0.02 0.00 1.23 0.00 0.00 39.78 40.24 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 -7.12 3.57 0.55 1.20 0.04 -1.26 -5.00 135.00 126.97 2ctn s PRO 52 Ca 0.02 1.25 0.01 0.00 0.04 0.00 0.00 61.00 62.31 2ctn s PRO 52 Cb -0.01 -4.07 0.03 0.00 0.04 0.00 0.00 34.50 30.49 2ctn s PRO 52 CO 0.94 -1.56 0.78 0.95 0.04 0.00 0.00 177.00 178.14 2ctn s THR 53 N 5.73 2.85 0.26 1.26 -4.23 -1.26 -4.85 115.64 115.39 2ctn s THR 53 Ca 0.68 -0.60 0.08 0.00 -1.18 0.00 0.00 61.69 60.66 2ctn s THR 53 Cb -0.19 -3.08 -0.03 0.00 1.34 0.00 0.00 72.50 70.54 2ctn s THR 53 CO 0.31 -0.06 1.59 1.55 -0.54 0.00 0.00 174.62 177.48 2ctn h PRO 54 N 0.07 0.11 0.21 3.99 0.13 -1.99 -1.22 132.00 133.30 2ctn h PRO 54 Ca -0.43 -0.08 -0.35 0.00 -0.87 0.00 0.00 66.00 64.28 2ctn h PRO 54 Cb 1.29 0.01 0.02 0.00 0.13 0.00 0.00 31.00 32.45 2ctn h PRO 54 CO 0.53 0.69 -1.66 0.93 -0.23 0.00 0.00 178.00 178.26 2ctn h GLU 55 N 0.08 0.44 0.00 0.86 4.39 -2.01 -3.31 114.58 115.03 2ctn h GLU 55 Ca -0.01 -0.76 0.00 0.00 0.34 0.00 0.00 59.36 58.93 2ctn h GLU 55 Cb 1.10 0.28 0.00 0.00 -0.10 0.00 0.00 28.75 30.04 2ctn h GLU 55 CO 0.09 1.36 0.00 0.39 -1.16 0.00 0.00 179.01 179.69 2ctn n GLU 56 N -3.63 0.24 0.35 2.33 1.02 -1.23 -3.70 120.64 116.03 2ctn n GLU 56 Ca -0.22 0.24 -0.16 0.00 -0.02 0.00 0.00 57.16 57.00 2ctn n GLU 56 Cb 1.09 -1.81 -0.08 0.00 -0.02 0.00 0.00 31.44 30.62 2ctn n GLU 56 CO 0.00 0.00 0.00 -0.07 1.18 0.00 0.00 177.13 178.24 2ctn h LEU 57 N 0.00 -0.77 -0.33 -4.62 3.38 -1.30 -0.79 115.31 110.89 2ctn h LEU 57 Ca 0.00 -0.01 0.04 0.00 0.09 0.00 0.00 57.88 58.00 2ctn h LEU 57 Cb 0.67 0.20 -0.04 0.00 0.09 0.00 0.00 40.66 41.58 2ctn h LEU 57 CO 0.00 -0.44 0.11 -0.61 0.09 0.00 0.00 178.44 177.59 2ctn h GLN 58 N -1.10 0.24 -0.03 1.13 5.75 -1.71 -2.65 115.11 116.74 2ctn h GLN 58 Ca -0.09 -0.01 0.03 0.00 -0.15 0.00 0.00 58.65 58.43 2ctn h GLN 58 Cb 0.73 -0.05 -0.05 0.00 1.07 0.00 0.00 27.48 29.18 2ctn h GLN 58 CO 0.15 0.16 -0.23 0.93 -2.65 0.00 0.00 178.83 177.19 2ctn h GLU 59 N 0.25 -0.33 -0.27 1.69 5.08 -1.63 0.85 114.58 120.21 2ctn h GLU 59 Ca 0.15 0.02 0.03 0.00 -1.00 0.00 0.00 59.36 58.56 2ctn h GLU 59 Cb 0.12 0.08 -0.05 0.00 0.50 0.00 0.00 28.75 29.40 2ctn h GLU 59 CO -0.16 -0.22 -0.34 0.52 -1.00 0.00 0.00 179.01 177.81 2ctn h MET 60 N -0.35 -0.22 0.44 2.33 2.86 -0.80 0.43 114.93 119.63 2ctn h MET 60 Ca 0.07 0.01 -0.02 0.00 -2.06 0.00 0.00 59.70 57.70 2ctn h MET 60 Cb 0.44 0.05 0.00 0.00 0.06 0.00 0.00 31.60 32.16 2ctn h MET 60 CO -0.23 -0.15 -0.21 0.82 1.06 0.00 0.00 176.91 178.20 2ctn h ILE 61 N -0.23 0.56 -0.55 -1.22 5.03 -1.28 0.21 117.51 120.03 2ctn h ILE 61 Ca 0.05 -0.17 0.16 0.00 -0.12 0.00 0.00 64.86 64.77 2ctn h ILE 61 Cb 0.36 0.64 -0.02 0.00 -3.03 0.00 0.00 36.82 34.76 2ctn h ILE 61 CO -0.38 0.03 0.78 -0.78 -0.68 0.00 0.00 178.15 177.12 2ctn h ASP 62 N -0.70 0.00 0.00 1.72 3.58 0.12 1.82 116.42 122.95 2ctn h ASP 62 Ca -0.06 0.00 -0.03 0.00 0.42 0.00 0.00 57.03 57.36 2ctn h ASP 62 Cb 0.51 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.55 2ctn h ASP 62 CO 0.10 0.00 -0.80 -0.62 -2.88 0.00 0.00 179.24 175.04 2ctn n GLU 63 N -3.30 0.49 0.28 0.28 -0.58 0.15 -4.32 120.64 113.64 2ctn n GLU 63 Ca 0.11 0.42 0.17 0.00 -0.42 0.00 0.00 57.16 57.44 2ctn n GLU 63 Cb 0.97 -1.60 0.81 0.00 -0.57 0.00 0.00 31.44 31.04 2ctn n GLU 63 CO 0.00 0.00 0.00 -0.39 -0.48 0.00 0.00 177.13 176.26 2ctn h VAL 64 N -1.00 0.20 -3.31 2.62 -1.51 0.04 -3.41 116.25 109.88 2ctn h VAL 64 Ca -0.05 -0.45 -0.57 0.00 -1.23 0.00 0.00 66.70 64.40 2ctn h VAL 64 Cb 0.76 1.37 -0.05 0.00 -2.13 0.00 0.00 31.29 31.24 2ctn h VAL 64 CO -0.03 0.05 1.03 -0.62 -1.23 0.00 0.00 177.57 176.77 2ctn s ASP 65 N -5.73 6.45 0.30 4.19 -1.08 0.61 -4.85 116.67 116.55 2ctn s ASP 65 Ca -0.01 0.86 0.21 0.00 -0.52 0.00 0.00 52.55 53.08 2ctn s ASP 65 Cb 0.11 -2.54 1.09 0.00 -1.46 0.00 0.00 42.92 40.12 2ctn s ASP 65 CO 0.53 -1.34 1.65 -0.62 0.52 0.00 0.00 175.17 175.91 2ctn n GLU 66 N 7.89 0.15 -0.00 4.34 1.02 -1.26 -1.53 120.64 131.24 2ctn n GLU 66 Ca 0.15 0.59 0.01 0.00 -0.02 0.00 0.00 57.16 57.89 2ctn n GLU 66 Cb 0.48 -1.92 0.01 0.00 -0.02 0.00 0.00 31.44 29.99 2ctn n GLU 66 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 2ctn n ASP 67 N -2.22 1.30 -4.07 1.62 5.68 -1.26 -5.01 116.55 112.59 2ctn n ASP 67 Ca -0.01 -1.19 -0.32 0.00 -0.50 0.00 0.00 54.79 52.77 2ctn n ASP 67 Cb 0.08 -0.01 -0.03 0.00 -1.14 0.00 0.00 41.12 40.02 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 0.08 -0.37 0.26 6.12 0.00 -0.58 -4.83 105.19 105.87 2ctn n GLY 68 Ca 0.01 0.22 0.11 0.00 0.00 0.00 0.00 46.02 46.37 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 -2.78 1.50 -0.25 1.61 3.41 -1.26 -4.95 113.62 110.90 2ctn n SER 69 Ca -0.26 -1.23 -0.03 0.00 -0.26 0.00 0.00 58.87 57.09 2ctn n SER 69 Cb 0.66 0.69 -0.01 0.00 -0.26 0.00 0.00 64.21 65.29 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 1.46 0.45 3.06 5.00 0.00 -1.26 -5.03 105.19 108.87 2ctn n GLY 70 Ca 0.07 -0.88 -0.23 0.00 0.00 0.00 0.00 46.02 44.98 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 -2.12 1.09 -0.15 2.61 -4.23 -1.26 -2.60 115.64 108.97 2ctn s THR 71 Ca 0.00 -0.53 0.01 0.00 -1.18 0.00 0.00 61.69 59.99 2ctn s THR 71 Cb 0.00 -0.95 0.00 0.00 1.34 0.00 0.00 72.50 72.90 2ctn s THR 71 CO 0.00 0.32 -0.17 -0.69 -0.54 0.00 0.00 174.62 173.55 2ctn s VAL 72 N 0.13 2.50 0.00 2.29 1.01 -0.50 -4.90 120.40 120.92 2ctn s VAL 72 Ca -0.04 -0.82 0.00 0.00 0.00 0.00 0.00 61.98 61.12 2ctn s VAL 72 Cb -0.10 -2.04 0.00 0.00 0.00 0.00 0.00 36.38 34.24 2ctn s VAL 72 CO 0.01 0.52 0.00 -0.90 0.00 0.00 0.00 175.10 174.73 2ctn n ASP 73 N 4.12 0.98 -0.49 3.32 5.75 -1.26 -0.65 116.55 128.32 2ctn n ASP 73 Ca -0.19 -0.91 0.42 0.00 -0.01 0.00 0.00 54.79 54.09 2ctn n ASP 73 Cb 0.52 0.00 0.77 0.00 -1.03 0.00 0.00 41.12 41.37 2ctn n ASP 73 CO 0.00 0.00 0.00 0.15 -0.11 0.00 0.00 177.20 177.24 2ctn h PHE 74 N 0.45 0.06 0.00 2.11 3.57 -2.00 0.13 116.94 121.26 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 -0.02 0.00 0.00 2.79 0.00 0.00 35.95 38.72 2ctn h PHE 74 CO 0.00 -0.01 -0.10 -0.44 -2.23 0.00 0.00 178.31 175.53 2ctn h ASP 75 N 0.02 0.00 -1.29 0.41 5.19 -2.01 -3.32 116.42 115.42 2ctn h ASP 75 Ca 0.73 0.00 0.37 0.00 -0.62 0.00 0.00 57.03 57.52 2ctn h ASP 75 Cb 2.87 0.00 -0.05 0.00 0.18 0.00 0.00 39.33 42.33 2ctn h ASP 75 CO -0.05 0.24 0.94 -0.33 -3.12 0.00 0.00 179.24 176.93 2ctn h GLU 76 N -0.39 0.00 0.42 3.56 5.08 -1.80 -0.95 114.58 120.50 2ctn h GLU 76 Ca 0.00 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.34 2ctn h GLU 76 Cb 0.10 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.35 2ctn h GLU 76 CO 0.00 0.00 -0.20 0.35 -1.00 0.00 0.00 179.01 178.16 2ctn h PHE 77 N 0.00 -0.52 0.00 4.33 3.57 -0.88 -2.47 116.94 120.97 2ctn h PHE 77 Ca 0.61 -0.01 -0.03 0.00 3.53 0.00 0.00 57.97 62.06 2ctn h PHE 77 Cb 2.48 0.17 -0.00 0.00 2.79 0.00 0.00 35.95 41.39 2ctn h PHE 77 CO 0.00 -0.33 -0.16 -0.07 -2.23 0.00 0.00 178.31 175.52 2ctn h LEU 78 N -0.57 0.00 -2.01 0.59 3.38 -1.47 -1.63 115.31 113.61 2ctn h LEU 78 Ca -0.06 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.91 2ctn h LEU 78 Cb 0.43 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.18 2ctn h LEU 78 CO 0.10 0.16 0.00 0.58 0.09 0.00 0.00 178.44 179.37 2ctn h VAL 79 N 0.00 0.00 0.11 1.22 2.07 -1.07 -3.16 116.25 115.41 2ctn h VAL 79 Ca -0.00 -0.24 -0.01 0.00 0.82 0.00 0.00 66.70 67.27 2ctn h VAL 79 Cb 0.33 1.17 0.00 0.00 -1.52 0.00 0.00 31.29 31.28 2ctn h VAL 79 CO 0.02 0.00 -0.05 0.24 0.02 0.00 0.00 177.57 177.80 2ctn h MET 80 N 0.00 -0.14 -1.28 1.57 2.86 -0.81 -3.26 114.93 113.88 2ctn h MET 80 Ca 0.00 0.01 0.42 0.00 -2.06 0.00 0.00 59.70 58.07 2ctn h MET 80 Cb 0.25 0.03 -0.13 0.00 0.06 0.00 0.00 31.60 31.82 2ctn h MET 80 CO 0.00 -0.09 0.82 0.00 1.06 0.00 0.00 176.91 178.70 2ctn h MET 81 N -0.31 0.11 -0.00 1.72 3.00 -1.67 -1.42 114.93 116.35 2ctn h MET 81 Ca -0.01 -0.01 0.00 0.00 0.00 0.00 0.00 59.70 59.68 2ctn h MET 81 Cb 0.11 -0.03 -0.00 0.00 0.00 0.00 0.00 31.60 31.68 2ctn h MET 81 CO 0.02 0.07 -0.02 0.28 0.00 0.00 0.00 176.91 177.27 2ctn h VAL 82 N 0.12 0.00 0.00 -0.10 2.07 -1.58 1.15 116.25 117.90 2ctn h VAL 82 Ca 0.80 0.00 0.00 0.00 0.82 0.00 0.00 66.70 68.32 2ctn h VAL 82 Cb 2.45 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 32.22 2ctn h VAL 82 CO -0.42 0.00 0.14 0.03 0.02 0.00 0.00 177.57 177.34 2ctn h ARG 83 N -0.02 0.00 -1.21 1.57 3.08 -1.35 -1.77 114.38 114.67 2ctn h ARG 83 Ca 0.00 0.00 -0.53 0.00 0.07 0.00 0.00 59.98 59.52 2ctn h ARG 83 Cb 0.03 0.00 -0.42 0.00 0.08 0.00 0.00 29.97 29.66 2ctn h ARG 83 CO -0.01 0.00 -0.83 0.45 -1.07 0.00 0.00 179.97 178.50 2ctn n SER 84 N -2.57 4.18 0.00 7.04 2.88 0.74 -4.71 113.62 121.17 2ctn n SER 84 Ca -0.02 -3.51 0.00 0.00 -1.33 0.00 0.00 58.87 54.01 2ctn n SER 84 Cb 0.18 -0.44 0.00 0.00 -0.75 0.00 0.00 64.21 63.20 2ctn n SER 84 CO 0.00 0.00 0.00 0.23 -1.23 0.00 0.00 175.04 174.04 2ctn n MET 85 N -0.49 3.16 -1.56 -1.46 2.81 0.36 -4.76 117.12 115.19 2ctn n MET 85 Ca 0.35 0.00 -0.14 0.00 -1.81 0.00 0.00 57.70 56.10 2ctn n MET 85 Cb 0.76 -0.90 -0.11 0.00 -0.71 0.00 0.00 33.22 32.26 2ctn n MET 85 CO 0.00 0.00 0.00 1.17 1.51 0.00 0.00 175.97 178.65 2ctn n LYS 86 N -1.69 0.11 0.08 0.03 3.00 -1.26 -3.77 118.16 114.66 2ctn n LYS 86 Ca 0.00 -1.62 0.00 0.00 -0.00 0.00 0.00 58.31 56.69 2ctn n LYS 86 Cb 0.39 -3.86 0.00 0.00 0.00 0.00 0.00 35.03 31.56 2ctn n LYS 86 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 2ctn n ASP 87 N 19.60 -1.02 -0.61 3.14 8.00 -1.26 -5.01 116.55 139.39 2ctn n ASP 87 Ca 0.40 0.30 -0.03 0.00 0.71 0.00 0.00 54.79 56.18 2ctn n ASP 87 Cb 0.47 1.15 -0.03 0.00 -0.02 0.00 0.00 41.12 42.70 2ctn n ASP 87 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 2ctn n ASP 88 N -2.89 -0.37 0.00 -2.24 -0.08 -1.25 -5.31 116.55 104.41 2ctn n ASP 88 Ca 0.00 -1.07 0.08 0.00 -1.51 0.00 0.00 54.79 52.29 2ctn n ASP 88 Cb 0.00 0.11 0.50 0.00 2.34 0.00 0.00 41.12 44.07 2ctn n ASP 88 CO 0.00 0.00 0.00 -0.24 0.12 0.00 0.00 177.20 177.08