#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 -5.66 0.00 0.00 2.03 -1.26 -4.55 116.55 107.11 2ctn n ASP 3 Ca 0.00 0.40 0.00 0.00 0.52 0.00 0.00 54.79 55.71 2ctn n ASP 3 Cb 0.00 -3.09 0.00 0.00 -0.72 0.00 0.00 41.12 37.31 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 -3.00 0.00 0.03 5.18 5.41 -1.26 -3.22 119.36 122.50 2ctn n ILE 4 Ca 0.00 0.00 -0.15 0.00 1.00 0.00 0.00 62.75 63.60 2ctn n ILE 4 Cb 0.61 0.00 -0.14 0.00 -0.71 0.00 0.00 39.64 39.40 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 0.32 -0.94 1.39 0.05 -1.98 -3.35 116.97 112.46 2ctn h TYR 5 Ca 0.00 -0.24 0.23 0.00 0.05 0.00 0.00 58.73 58.78 2ctn h TYR 5 Cb 0.00 -0.01 -0.13 0.00 1.01 0.00 0.00 36.73 37.60 2ctn h TYR 5 CO 0.00 1.37 0.48 -0.22 -1.05 0.00 0.00 178.16 178.74 2ctn h LYS 6 N 0.05 0.45 -1.00 4.88 3.11 -1.86 0.42 116.57 122.62 2ctn h LYS 6 Ca -0.29 -0.03 0.22 0.00 -2.81 0.00 0.00 60.65 57.75 2ctn h LYS 6 Cb 2.01 -0.10 -0.11 0.00 -1.00 0.00 0.00 32.23 33.03 2ctn h LYS 6 CO 0.12 0.30 0.62 0.00 -2.81 0.00 0.00 179.45 177.68 2ctn h ALA 7 N 1.72 1.88 -0.04 5.00 0.00 -1.86 0.93 119.26 126.89 2ctn h ALA 7 Ca 0.60 0.08 -0.20 0.00 0.00 0.00 0.00 54.91 55.39 2ctn h ALA 7 Cb 1.16 -0.03 0.01 0.00 0.00 0.00 0.00 17.79 18.93 2ctn h ALA 7 CO -0.51 -0.28 -0.76 0.00 0.00 0.00 0.00 179.25 177.70 2ctn h ALA 8 N 1.66 0.14 0.00 0.00 0.00 -0.39 -3.17 119.26 117.50 2ctn h ALA 8 Ca 0.59 -0.61 -0.04 0.00 0.00 0.00 0.00 54.91 54.85 2ctn h ALA 8 Cb 1.15 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.96 2ctn h ALA 8 CO -0.37 0.52 -0.19 0.28 0.00 0.00 0.00 179.25 179.49 2ctn h VAL 9 N 0.20 0.46 0.00 0.00 2.07 -0.51 -2.77 116.25 115.71 2ctn h VAL 9 Ca -0.08 -1.04 -0.05 0.00 0.82 0.00 0.00 66.70 66.35 2ctn h VAL 9 Cb 1.43 1.74 -0.01 0.00 -1.52 0.00 0.00 31.29 32.94 2ctn h VAL 9 CO 0.15 0.19 -0.22 -0.33 0.02 0.00 0.00 177.57 177.38 2ctn h GLU 10 N 0.00 0.00 -0.02 1.57 4.39 0.83 -2.31 114.58 119.04 2ctn h GLU 10 Ca -0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 2ctn h GLU 10 Cb 0.73 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.38 2ctn h GLU 10 CO 0.02 0.22 -0.06 1.04 -1.16 0.00 0.00 179.01 179.07 2ctn n GLN 11 N -3.65 1.94 -0.52 2.33 6.02 -1.05 -4.97 117.38 117.48 2ctn n GLN 11 Ca -0.01 -1.47 -0.27 0.00 -0.01 0.00 0.00 57.00 55.24 2ctn n GLN 11 Cb 0.34 -1.47 0.20 0.00 1.02 0.00 0.00 30.24 30.33 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 0.75 -1.62 -4.90 1.08 4.77 -0.87 -4.98 117.00 111.23 2ctn n LEU 12 Ca 0.15 -0.36 -0.30 0.00 -0.03 0.00 0.00 56.01 55.47 2ctn n LEU 12 Cb 0.50 -0.93 -0.04 0.00 -2.33 0.00 0.00 43.42 40.62 2ctn n LEU 12 CO 0.17 -3.44 -0.16 0.42 -1.33 0.00 0.00 177.39 173.05 2ctn s THR 13 N -2.17 5.24 0.64 -5.08 -4.23 -1.26 -4.95 115.64 103.82 2ctn s THR 13 Ca 0.53 -0.48 0.22 0.00 -1.18 0.00 0.00 61.69 60.78 2ctn s THR 13 Cb -0.11 -3.56 0.26 0.00 1.34 0.00 0.00 72.50 70.42 2ctn s THR 13 CO 0.54 0.12 1.63 -0.33 -0.54 0.00 0.00 174.62 176.03 2ctn h GLU 14 N 3.03 0.00 0.00 3.99 5.08 -1.99 0.79 114.58 125.48 2ctn h GLU 14 Ca -0.46 0.00 -0.11 0.00 -1.00 0.00 0.00 59.36 57.80 2ctn h GLU 14 Cb 1.16 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.40 2ctn h GLU 14 CO 0.74 0.00 -0.51 0.93 -1.00 0.00 0.00 179.01 179.17 2ctn h GLU 15 N 0.00 0.00 0.22 2.33 5.08 -1.99 -1.80 114.58 118.42 2ctn h GLU 15 Ca 0.10 0.00 -0.34 0.00 -1.00 0.00 0.00 59.36 58.12 2ctn h GLU 15 Cb 1.35 0.00 0.02 0.00 0.50 0.00 0.00 28.75 30.62 2ctn h GLU 15 CO -0.00 0.51 -1.60 1.96 -1.00 0.00 0.00 179.01 178.88 2ctn h GLN 16 N 0.00 0.46 0.00 2.33 1.08 0.23 -3.24 115.11 115.97 2ctn h GLN 16 Ca -0.01 -0.79 -0.12 0.00 -1.45 0.00 0.00 58.65 56.29 2ctn h GLN 16 Cb 1.29 0.29 -0.02 0.00 -0.05 0.00 0.00 27.48 28.99 2ctn h GLN 16 CO 0.07 1.38 -0.55 0.87 -0.95 0.00 0.00 178.83 179.64 2ctn h LYS 17 N 0.10 0.00 -0.51 1.46 6.56 -1.59 -2.41 116.57 120.18 2ctn h LYS 17 Ca -0.30 0.00 -0.11 0.00 -1.06 0.00 0.00 60.65 59.18 2ctn h LYS 17 Cb 2.12 0.00 -0.02 0.00 -0.57 0.00 0.00 32.23 33.76 2ctn h LYS 17 CO 0.22 0.55 -0.10 -0.91 -2.06 0.00 0.00 179.45 177.15 2ctn h ASN 18 N 0.00 0.95 0.03 0.86 2.35 -1.43 -2.05 115.58 116.28 2ctn h ASN 18 Ca -0.01 -0.30 -0.08 0.00 -0.55 0.00 0.00 56.30 55.36 2ctn h ASN 18 Cb 1.39 -0.26 -0.00 0.00 0.05 0.00 0.00 38.32 39.50 2ctn h ASN 18 CO 0.07 1.06 -0.42 -0.33 -1.65 0.00 0.00 177.43 176.16 2ctn h GLU 19 N 0.85 0.06 0.00 0.81 3.07 -1.59 -3.04 114.58 114.74 2ctn h GLU 19 Ca 0.14 -0.10 0.00 0.00 -0.50 0.00 0.00 59.36 58.90 2ctn h GLU 19 Cb 0.64 0.04 0.00 0.00 -0.84 0.00 0.00 28.75 28.59 2ctn h GLU 19 CO 0.04 1.05 0.00 1.19 -1.40 0.00 0.00 179.01 179.89 2ctn n PHE 20 N -4.47 0.00 -0.33 4.33 3.72 -0.91 0.19 117.46 119.99 2ctn n PHE 20 Ca -0.15 0.00 0.24 0.00 -0.05 0.00 0.00 57.45 57.49 2ctn n PHE 20 Cb 0.59 -0.33 0.48 0.00 -0.94 0.00 0.00 39.48 39.28 2ctn n PHE 20 CO 0.00 0.00 0.00 -0.22 -0.05 0.00 0.00 176.76 176.49 2ctn h LYS 21 N 0.00 0.21 -0.01 -1.08 3.11 -1.58 0.22 116.57 117.44 2ctn h LYS 21 Ca 0.00 -0.01 -0.01 0.00 -2.81 0.00 0.00 60.65 57.82 2ctn h LYS 21 Cb 0.00 -0.05 -0.00 0.00 -1.00 0.00 0.00 32.23 31.18 2ctn h LYS 21 CO 0.00 0.14 -0.01 0.00 -2.81 0.00 0.00 179.45 176.77 2ctn h ALA 22 N 1.89 0.02 -0.49 5.00 0.00 -1.37 -2.99 119.26 121.32 2ctn h ALA 22 Ca 0.74 -0.24 0.10 0.00 0.00 0.00 0.00 54.91 55.51 2ctn h ALA 22 Cb 1.74 -0.00 -0.10 0.00 0.00 0.00 0.00 17.79 19.43 2ctn h ALA 22 CO -0.66 -0.23 -0.18 0.00 0.00 0.00 0.00 179.25 178.18 2ctn h ALA 23 N 0.54 0.22 -0.67 0.00 0.00 0.52 0.50 119.26 120.37 2ctn h ALA 23 Ca 0.00 0.18 0.13 0.00 0.00 0.00 0.00 54.91 55.22 2ctn h ALA 23 Cb 0.48 0.47 -0.09 0.00 0.00 0.00 0.00 17.79 18.65 2ctn h ALA 23 CO 0.00 -0.50 0.21 0.35 0.00 0.00 0.00 179.25 179.30 2ctn h PHE 24 N -0.06 0.34 0.00 0.00 3.04 -1.26 0.82 116.94 119.81 2ctn h PHE 24 Ca 0.23 0.04 0.00 0.00 3.98 0.00 0.00 57.97 62.22 2ctn h PHE 24 Cb 0.42 -0.05 0.00 0.00 2.56 0.00 0.00 35.95 38.88 2ctn h PHE 24 CO -0.46 0.01 0.00 -0.25 -2.02 0.00 0.00 178.31 175.59 2ctn n ASP 25 N -5.07 0.36 -0.36 0.41 9.92 0.07 -0.56 116.55 121.32 2ctn n ASP 25 Ca 0.11 0.61 0.05 0.00 -0.53 0.00 0.00 54.79 55.03 2ctn n ASP 25 Cb 0.36 -0.68 0.03 0.00 -0.64 0.00 0.00 41.12 40.20 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 -1.92 0.00 -0.00 0.53 5.41 0.24 -4.58 119.36 119.04 2ctn n ILE 26 Ca 0.02 -0.48 0.00 0.00 1.00 0.00 0.00 62.75 63.29 2ctn n ILE 26 Cb 0.15 1.19 -0.01 0.00 -0.71 0.00 0.00 39.64 40.26 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 0.38 0.00 1.25 1.39 3.72 0.14 -4.57 117.46 119.76 2ctn n PHE 27 Ca 0.05 0.00 0.13 0.00 -0.05 0.00 0.00 57.45 57.59 2ctn n PHE 27 Cb 0.24 -0.02 0.68 0.00 -0.94 0.00 0.00 39.48 39.43 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 -1.68 0.11 -0.22 -4.37 0.31 0.28 -3.60 118.33 109.15 2ctn n VAL 28 Ca -0.00 0.03 0.29 0.00 -0.01 0.00 0.00 64.34 64.64 2ctn n VAL 28 Cb 0.18 -0.57 0.70 0.00 -0.91 0.00 0.00 33.84 33.24 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 -2.06 7.52 4.07 -1.81 0.85 115.31 123.94 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 0.29 -0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.03 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 -1.70 1.12 0.00 0.83 0.00 -1.24 -4.98 105.19 99.23 2ctn n GLY 30 Ca 0.21 -0.58 0.00 0.00 0.00 0.00 0.00 46.02 45.65 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 1.12 0.00 0.00 4.61 0.00 0.29 -5.00 120.51 121.54 2ctn n ALA 31 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.58 2ctn n ALA 31 Cb 0.50 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.95 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 -0.69 0.62 -0.11 0.00 2.13 -1.26 -4.85 120.64 116.47 2ctn n GLU 32 Ca 0.00 0.00 0.03 0.00 0.66 0.00 0.00 57.16 57.85 2ctn n GLU 32 Cb 0.00 -0.70 0.04 0.00 0.27 0.00 0.00 31.44 31.05 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 -1.58 1.35 -0.68 4.31 -0.08 -1.26 -4.99 116.55 113.61 2ctn n ASP 33 Ca 0.00 -2.12 0.00 0.00 -1.51 0.00 0.00 54.79 51.16 2ctn n ASP 33 Cb 0.20 -0.16 0.00 0.00 2.34 0.00 0.00 41.12 43.50 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 -0.59 0.71 0.00 0.27 0.00 -1.26 -5.09 105.19 99.23 2ctn n GLY 34 Ca 0.05 -0.41 0.00 0.00 0.00 0.00 0.00 46.02 45.66 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 -0.68 0.00 -3.46 1.61 3.41 -1.26 -4.90 113.62 108.34 2ctn n SER 35 Ca 0.00 -0.00 -0.17 0.00 -0.26 0.00 0.00 58.87 58.44 2ctn n SER 35 Cb 0.27 0.00 -0.12 0.00 -0.26 0.00 0.00 64.21 64.10 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 -3.00 -0.38 0.45 -1.33 1.01 0.34 -4.59 121.20 113.71 2ctn s ILE 36 Ca 0.00 -0.18 -0.06 0.00 0.00 0.00 0.00 60.65 60.42 2ctn s ILE 36 Cb 0.00 -0.75 -0.04 0.00 0.01 0.00 0.00 42.46 41.67 2ctn s ILE 36 CO 0.00 -0.24 0.76 -0.55 0.00 0.00 0.00 174.94 174.91 2ctn s SER 37 N 2.36 6.32 0.62 3.58 0.15 -1.26 0.11 113.70 125.59 2ctn s SER 37 Ca 0.08 0.93 0.24 0.00 0.70 0.00 0.00 55.95 57.90 2ctn s SER 37 Cb -0.15 -2.24 1.18 0.00 -1.71 0.00 0.00 66.02 63.09 2ctn s SER 37 CO -0.16 -0.51 1.64 0.00 1.20 0.00 0.00 173.24 175.41 2ctn h THR 38 N 0.48 0.14 0.05 6.45 1.03 -1.46 2.31 112.91 121.90 2ctn h THR 38 Ca -0.47 0.00 -0.24 0.00 -0.01 0.00 0.00 66.41 65.69 2ctn h THR 38 Cb 1.20 0.40 0.00 0.00 -1.07 0.00 0.00 68.15 68.68 2ctn h THR 38 CO 0.62 0.00 -1.04 0.50 -0.01 0.00 0.00 175.52 175.59 2ctn h LYS 39 N 0.00 0.34 0.00 0.00 3.11 -1.91 -2.88 116.57 115.23 2ctn h LYS 39 Ca 0.19 -0.43 0.00 0.00 -2.81 0.00 0.00 60.65 57.60 2ctn h LYS 39 Cb 1.57 0.14 0.00 0.00 -1.00 0.00 0.00 32.23 32.94 2ctn h LYS 39 CO -0.00 1.13 -1.40 -1.91 -2.81 0.00 0.00 179.45 174.46 2ctn n GLU 40 N -3.66 0.63 0.11 1.90 4.07 0.27 -4.36 120.64 119.59 2ctn n GLU 40 Ca -0.07 -0.09 -0.17 0.00 -0.06 0.00 0.00 57.16 56.78 2ctn n GLU 40 Cb 0.90 -1.44 -0.14 0.00 -0.06 0.00 0.00 31.44 30.70 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 0.45 -1.17 4.31 7.12 0.34 -3.30 115.31 123.07 2ctn h LEU 41 Ca 0.00 -0.49 0.39 0.00 0.13 0.00 0.00 57.88 57.91 2ctn h LEU 41 Cb 0.67 -0.15 -0.15 0.00 -0.53 0.00 0.00 40.66 40.51 2ctn h LEU 41 CO 0.00 1.38 0.67 1.23 -0.13 0.00 0.00 178.44 181.60 2ctn h GLY 42 N 1.49 1.81 0.81 3.75 0.00 -1.69 0.50 103.07 109.74 2ctn h GLY 42 Ca -0.14 -0.16 -0.04 0.00 0.00 0.00 0.00 47.33 46.98 2ctn h GLY 42 CO 0.21 -0.54 -0.04 0.50 0.00 0.00 0.00 176.54 176.67 2ctn h LYS 43 N 0.14 0.39 0.00 4.80 1.57 -1.84 -2.51 116.57 119.12 2ctn h LYS 43 Ca 0.80 -0.15 0.00 0.00 -1.87 0.00 0.00 60.65 59.43 2ctn h LYS 43 Cb 2.18 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 34.47 2ctn h LYS 43 CO -0.57 0.63 0.07 0.28 -0.57 0.00 0.00 179.45 179.29 2ctn h VAL 44 N 0.12 0.00 0.05 0.50 2.07 -0.17 -2.13 116.25 116.69 2ctn h VAL 44 Ca 0.05 0.00 -0.08 0.00 0.82 0.00 0.00 66.70 67.49 2ctn h VAL 44 Cb 0.49 0.80 0.01 0.00 -1.52 0.00 0.00 31.29 31.06 2ctn h VAL 44 CO 0.02 0.00 -0.38 0.24 0.02 0.00 0.00 177.57 177.46 2ctn h MET 45 N 0.00 0.11 0.00 1.57 2.86 -0.98 -3.11 114.93 115.38 2ctn h MET 45 Ca 0.00 -0.18 -0.03 0.00 -2.06 0.00 0.00 59.70 57.42 2ctn h MET 45 Cb 0.13 0.07 -0.00 0.00 0.06 0.00 0.00 31.60 31.86 2ctn h MET 45 CO 0.00 1.09 -0.16 -0.09 1.06 0.00 0.00 176.91 178.81 2ctn h ARG 46 N -0.77 0.00 0.00 1.72 1.12 -1.24 -0.35 114.38 114.85 2ctn h ARG 46 Ca -0.08 0.00 0.00 0.00 -1.11 0.00 0.00 59.98 58.79 2ctn h ARG 46 Cb 1.26 0.00 0.00 0.00 -0.01 0.00 0.00 29.97 31.22 2ctn h ARG 46 CO 0.04 0.16 -0.00 0.00 -3.11 0.00 0.00 179.97 177.06 2ctn h MET 47 N 0.00 0.00 0.00 0.20 -0.00 -1.50 -3.18 114.93 110.45 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 0.42 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.02 2ctn h MET 47 CO 0.02 0.00 -0.80 1.28 -0.00 0.00 0.00 176.91 177.41 2ctn n LEU 48 N -3.04 0.63 0.00 -0.10 4.77 -0.79 -4.93 117.00 113.54 2ctn n LEU 48 Ca 0.04 -0.02 0.00 0.00 -0.03 0.00 0.00 56.01 56.00 2ctn n LEU 48 Cb 0.52 -0.15 0.00 0.00 -2.33 0.00 0.00 43.42 41.47 2ctn n LEU 48 CO 0.34 0.07 0.00 0.61 -1.33 0.00 0.00 177.39 177.08 2ctn n GLY 49 N 1.42 1.83 3.03 -0.72 0.00 -1.02 -5.11 105.19 104.61 2ctn n GLY 49 Ca 0.03 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.79 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 -0.46 1.95 -0.53 1.61 -0.21 -0.21 -5.01 119.66 116.80 2ctn s GLN 50 Ca 0.00 -0.47 0.06 0.00 0.02 0.00 0.00 55.36 54.97 2ctn s GLN 50 Cb 0.00 -1.66 0.35 0.00 1.00 0.00 0.00 33.01 32.70 2ctn s GLN 50 CO 0.00 -0.04 0.94 -1.71 -2.12 0.00 0.00 175.29 172.36 2ctn n ASN 51 N 4.11 4.00 -3.07 5.90 5.15 -1.26 -2.86 115.26 127.22 2ctn n ASN 51 Ca -0.20 -3.59 0.00 0.00 -0.60 0.00 0.00 54.58 50.20 2ctn n ASN 51 Cb 0.51 -0.55 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 -0.21 0.47 -4.16 1.20 -0.04 -1.26 -5.07 135.00 125.93 2ctn n PRO 52 Ca 0.31 0.00 -0.24 0.00 -0.04 0.00 0.00 63.50 63.53 2ctn n PRO 52 Cb 0.47 0.00 -0.07 0.00 -0.04 0.00 0.00 33.50 33.86 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 -0.30 2.77 -0.06 0.52 -4.23 -1.26 -5.06 115.64 108.02 2ctn s THR 53 Ca 0.00 -1.76 -0.24 0.00 -1.18 0.00 0.00 61.69 58.51 2ctn s THR 53 Cb 0.00 -2.94 -0.19 0.00 1.34 0.00 0.00 72.50 70.71 2ctn s THR 53 CO 0.00 -0.15 0.99 1.55 -0.54 0.00 0.00 174.62 176.48 2ctn h PRO 54 N 1.58 -0.09 -0.01 3.99 0.13 -2.01 -3.05 132.00 132.54 2ctn h PRO 54 Ca -0.43 0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.71 2ctn h PRO 54 Cb 1.25 0.02 -0.00 0.00 0.13 0.00 0.00 31.00 32.40 2ctn h PRO 54 CO 0.65 0.47 0.15 0.93 -0.23 0.00 0.00 178.00 179.98 2ctn h GLU 55 N -0.75 0.00 0.03 0.86 5.08 -2.02 -1.68 114.58 116.10 2ctn h GLU 55 Ca -0.01 0.00 -0.12 0.00 -1.00 0.00 0.00 59.36 58.23 2ctn h GLU 55 Cb 0.60 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.86 2ctn h GLU 55 CO 0.02 0.00 -0.48 1.49 -1.00 0.00 0.00 179.01 179.04 2ctn h GLU 56 N 0.00 0.27 -0.11 2.33 4.81 -1.96 -3.27 114.58 116.66 2ctn h GLU 56 Ca 0.01 -0.33 0.04 0.00 -0.13 0.00 0.00 59.36 58.94 2ctn h GLU 56 Cb 0.31 0.10 -0.06 0.00 0.63 0.00 0.00 28.75 29.73 2ctn h GLU 56 CO -0.00 1.06 -0.43 -0.07 -0.73 0.00 0.00 179.01 178.83 2ctn h LEU 57 N -0.36 -1.35 -0.81 1.64 3.38 -1.20 0.67 115.31 117.27 2ctn h LEU 57 Ca -0.07 0.17 0.19 0.00 0.09 0.00 0.00 57.88 58.26 2ctn h LEU 57 Cb 1.25 0.54 -0.14 0.00 0.09 0.00 0.00 40.66 42.40 2ctn h LEU 57 CO 0.09 -0.44 -0.03 -0.61 0.09 0.00 0.00 178.44 177.55 2ctn h GLN 58 N -0.52 0.07 0.06 1.13 5.75 -1.67 0.20 115.11 120.12 2ctn h GLN 58 Ca 0.07 -0.00 -0.00 0.00 -0.15 0.00 0.00 58.65 58.56 2ctn h GLN 58 Cb 0.64 -0.02 0.00 0.00 1.07 0.00 0.00 27.48 29.17 2ctn h GLN 58 CO -0.39 0.05 -0.03 1.49 -2.65 0.00 0.00 178.83 177.30 2ctn h GLU 59 N 0.07 -0.07 -0.68 1.69 4.81 -1.27 -2.60 114.58 116.52 2ctn h GLU 59 Ca 0.44 0.00 0.15 0.00 -0.13 0.00 0.00 59.36 59.82 2ctn h GLU 59 Cb 0.79 0.02 -0.11 0.00 0.63 0.00 0.00 28.75 30.08 2ctn h GLU 59 CO -0.74 0.48 0.09 1.98 -0.73 0.00 0.00 179.01 180.09 2ctn h MET 60 N -0.69 0.19 -0.15 1.92 4.05 0.13 -0.99 114.93 119.40 2ctn h MET 60 Ca -0.01 -0.01 -0.01 0.00 -0.28 0.00 0.00 59.70 59.39 2ctn h MET 60 Cb 0.58 -0.04 -0.01 0.00 -0.80 0.00 0.00 31.60 31.33 2ctn h MET 60 CO 0.01 0.12 0.07 0.82 0.23 0.00 0.00 176.91 178.17 2ctn h ILE 61 N 0.19 1.13 -0.91 1.77 2.04 -0.70 -2.06 117.51 118.98 2ctn h ILE 61 Ca 0.37 -0.37 0.26 0.00 1.00 0.00 0.00 64.86 66.12 2ctn h ILE 61 Cb 0.63 1.10 -0.04 0.00 -0.74 0.00 0.00 36.82 37.77 2ctn h ILE 61 CO -0.52 0.12 0.89 -0.78 0.00 0.00 0.00 178.15 177.86 2ctn h ASP 62 N 0.11 0.00 0.00 1.72 1.82 -0.77 1.66 116.42 120.97 2ctn h ASP 62 Ca 0.05 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.69 2ctn h ASP 62 Cb 0.13 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.14 2ctn h ASP 62 CO -0.01 0.00 -0.43 1.21 -1.61 0.00 0.00 179.24 178.41 2ctn n GLU 63 N -3.62 0.36 0.13 0.28 2.13 -0.83 -4.40 120.64 114.69 2ctn n GLU 63 Ca 0.19 0.46 0.01 0.00 0.66 0.00 0.00 57.16 58.48 2ctn n GLU 63 Cb 1.19 -1.49 0.33 0.00 0.27 0.00 0.00 31.44 31.74 2ctn n GLU 63 CO 0.00 0.00 0.00 -0.39 -0.41 0.00 0.00 177.13 176.33 2ctn h VAL 64 N -0.80 1.24 -3.89 6.31 -1.51 -0.96 -3.43 116.25 113.21 2ctn h VAL 64 Ca 0.00 -1.13 -0.51 0.00 -1.23 0.00 0.00 66.70 63.83 2ctn h VAL 64 Cb 0.43 1.48 0.05 0.00 -2.13 0.00 0.00 31.29 31.11 2ctn h VAL 64 CO 0.00 0.34 0.53 -0.62 -1.23 0.00 0.00 177.57 176.59 2ctn s ASP 65 N -6.90 6.79 0.10 4.19 -1.08 0.56 -4.94 116.67 115.41 2ctn s ASP 65 Ca -0.04 2.42 0.15 0.00 -0.52 0.00 0.00 52.55 54.56 2ctn s ASP 65 Cb 0.15 -2.63 -0.11 0.00 -1.46 0.00 0.00 42.92 38.87 2ctn s ASP 65 CO 0.74 -0.49 0.98 -0.33 0.52 0.00 0.00 175.17 176.59 2ctn h GLU 66 N 3.15 0.00 -0.00 4.34 4.39 -1.84 -3.36 114.58 121.26 2ctn h GLU 66 Ca -0.48 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.22 2ctn h GLU 66 Cb 1.23 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.88 2ctn h GLU 66 CO 0.64 0.41 -0.12 -0.40 -1.16 0.00 0.00 179.01 178.38 2ctn n ASP 67 N -3.02 0.69 -2.18 1.42 5.68 -1.26 -4.98 116.55 112.90 2ctn n ASP 67 Ca -0.07 -0.85 -0.20 0.00 -0.50 0.00 0.00 54.79 53.17 2ctn n ASP 67 Cb 0.85 0.60 -0.03 0.00 -1.14 0.00 0.00 41.12 41.39 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 0.77 0.15 0.00 6.12 0.00 -1.26 -4.81 105.19 106.17 2ctn n GLY 68 Ca 0.02 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.15 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 -1.82 0.00 -0.58 1.61 3.41 -1.26 -4.84 113.62 110.15 2ctn n SER 69 Ca -0.23 -0.44 -0.08 0.00 -0.26 0.00 0.00 58.87 57.86 2ctn n SER 69 Cb 0.68 -0.13 -0.03 0.00 -0.26 0.00 0.00 64.21 64.47 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 0.60 0.95 3.46 5.00 0.00 -1.26 -4.97 105.19 108.96 2ctn n GLY 70 Ca 0.15 -0.55 -0.32 0.00 0.00 0.00 0.00 46.02 45.31 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 -2.22 2.88 -0.03 2.61 -4.23 -1.26 -1.04 115.64 112.35 2ctn s THR 71 Ca 0.00 -0.93 0.03 0.00 -1.18 0.00 0.00 61.69 59.61 2ctn s THR 71 Cb 0.00 -2.15 -0.00 0.00 1.34 0.00 0.00 72.50 71.69 2ctn s THR 71 CO 0.00 0.49 -0.13 -0.69 -0.54 0.00 0.00 174.62 173.75 2ctn s VAL 72 N -0.80 1.06 0.09 2.29 1.01 0.30 -4.91 120.40 119.45 2ctn s VAL 72 Ca 0.13 -0.53 0.00 0.00 0.00 0.00 0.00 61.98 61.59 2ctn s VAL 72 Cb -0.11 -0.91 -0.00 0.00 0.00 0.00 0.00 36.38 35.36 2ctn s VAL 72 CO 0.02 0.31 0.01 -0.67 0.00 0.00 0.00 175.10 174.78 2ctn n ASP 73 N 3.12 1.63 -0.00 3.32 -0.08 -1.26 0.13 116.55 123.40 2ctn n ASP 73 Ca -0.17 -1.43 0.22 0.00 -1.51 0.00 0.00 54.79 51.89 2ctn n ASP 73 Cb 0.54 0.14 0.55 0.00 2.34 0.00 0.00 41.12 44.69 2ctn n ASP 73 CO 0.00 0.00 0.00 0.15 0.12 0.00 0.00 177.20 177.47 2ctn h PHE 74 N 1.09 0.00 0.00 -0.67 3.57 -1.99 0.18 116.94 119.12 2ctn h PHE 74 Ca -0.07 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.43 2ctn h PHE 74 Cb 0.25 0.00 0.00 0.00 2.79 0.00 0.00 35.95 38.99 2ctn h PHE 74 CO 0.00 0.00 0.00 -0.25 -2.23 0.00 0.00 178.31 175.83 2ctn n ASP 75 N -3.31 0.00 -0.35 0.41 9.92 -1.26 -3.77 116.55 118.19 2ctn n ASP 75 Ca 0.13 0.24 0.24 0.00 -0.53 0.00 0.00 54.79 54.87 2ctn n ASP 75 Cb 1.04 -0.39 0.50 0.00 -0.64 0.00 0.00 41.12 41.64 2ctn n ASP 75 CO 0.00 0.00 0.00 -0.33 0.13 0.00 0.00 177.20 177.00 2ctn h GLU 76 N 0.00 0.35 0.28 -1.24 5.08 -1.86 -1.25 114.58 115.94 2ctn h GLU 76 Ca 0.00 -0.02 -0.00 0.00 -1.00 0.00 0.00 59.36 58.33 2ctn h GLU 76 Cb 0.00 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.15 2ctn h GLU 76 CO 0.00 0.23 -0.39 0.35 -1.00 0.00 0.00 179.01 178.21 2ctn h PHE 77 N 0.36 -1.09 0.00 4.33 3.57 -0.84 0.53 116.94 123.80 2ctn h PHE 77 Ca 0.67 0.02 -0.00 0.00 3.53 0.00 0.00 57.97 62.18 2ctn h PHE 77 Cb 1.67 0.44 -0.00 0.00 2.79 0.00 0.00 35.95 40.84 2ctn h PHE 77 CO -0.00 -0.48 -0.02 -0.07 -2.23 0.00 0.00 178.31 175.50 2ctn h LEU 78 N -0.69 0.00 0.00 0.59 3.38 -1.39 0.59 115.31 117.80 2ctn h LEU 78 Ca -0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.94 2ctn h LEU 78 Cb 0.62 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.37 2ctn h LEU 78 CO -0.11 0.02 -0.15 0.58 0.09 0.00 0.00 178.44 178.87 2ctn h VAL 79 N 0.00 0.00 0.00 1.22 2.07 -0.10 -3.15 116.25 116.29 2ctn h VAL 79 Ca -0.00 -0.60 0.00 0.00 0.82 0.00 0.00 66.70 66.92 2ctn h VAL 79 Cb 0.06 1.50 0.00 0.00 -1.52 0.00 0.00 31.29 31.33 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 -2.41 0.10 -0.03 1.57 1.56 0.17 -3.13 117.12 114.95 2ctn n MET 80 Ca 0.05 0.17 0.04 0.00 -0.27 0.00 0.00 57.70 57.69 2ctn n MET 80 Cb 0.46 -1.63 -0.13 0.00 2.15 0.00 0.00 33.22 34.06 2ctn n MET 80 CO 0.00 0.00 0.00 -1.33 -0.73 0.00 0.00 175.97 173.91 2ctn n MET 81 N -1.80 0.74 0.18 2.12 2.81 -1.19 -3.66 117.12 116.31 2ctn n MET 81 Ca 0.05 -0.12 0.14 0.00 -1.81 0.00 0.00 57.70 55.96 2ctn n MET 81 Cb 0.31 -1.41 0.53 0.00 -0.71 0.00 0.00 33.22 31.94 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 0.00 0.00 2.03 2.07 -1.55 0.16 116.25 118.96 2ctn h VAL 82 Ca -0.11 -0.38 0.00 0.00 0.82 0.00 0.00 66.70 67.04 2ctn h VAL 82 Cb 1.08 1.23 0.00 0.00 -1.52 0.00 0.00 31.29 32.08 2ctn h VAL 82 CO 0.01 0.00 -1.28 0.54 0.02 0.00 0.00 177.57 176.86 2ctn n ARG 83 N -2.54 1.16 0.00 1.57 1.74 -1.23 -4.46 116.66 112.90 2ctn n ARG 83 Ca 0.02 -0.08 0.08 0.00 -0.77 0.00 0.00 57.85 57.10 2ctn n ARG 83 Cb 0.29 -1.24 -0.00 0.00 -1.02 0.00 0.00 32.46 30.48 2ctn n ARG 83 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 2ctn n SER 84 N -1.75 1.66 0.11 0.55 2.88 -1.12 -4.37 113.62 111.58 2ctn n SER 84 Ca -0.01 -1.33 -0.02 0.00 -1.33 0.00 0.00 58.87 56.18 2ctn n SER 84 Cb 0.29 0.47 0.04 0.00 -0.75 0.00 0.00 64.21 64.26 2ctn n SER 84 CO 0.00 0.00 0.00 0.24 -1.23 0.00 0.00 175.04 174.05 2ctn h MET 85 N 1.85 0.00 0.00 -1.46 2.86 -1.18 -3.48 114.93 113.52 2ctn h MET 85 Ca 0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 2ctn h MET 85 Cb 0.57 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.23 2ctn h MET 85 CO 0.00 0.74 0.00 1.63 1.06 0.00 0.00 176.91 180.34 2ctn n LYS 86 N -3.46 0.00 -3.20 1.72 4.01 -1.26 -3.43 118.16 112.53 2ctn n LYS 86 Ca 0.00 0.00 -0.44 0.00 -0.51 0.00 0.00 58.31 57.36 2ctn n LYS 86 Cb 0.77 0.00 0.00 0.00 -0.51 0.00 0.00 35.03 35.29 2ctn n LYS 86 CO 0.00 0.00 0.00 -0.25 -1.11 0.00 0.00 177.40 176.04 2ctn n ASP 87 N -3.86 5.77 -3.29 4.39 8.00 -1.26 -4.61 116.55 121.68 2ctn n ASP 87 Ca 0.00 -3.15 -0.22 0.00 0.71 0.00 0.00 54.79 52.13 2ctn n ASP 87 Cb 0.00 -1.36 0.07 0.00 -0.02 0.00 0.00 41.12 39.81 2ctn n ASP 87 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 2ctn n ASP 88 N 2.44 -6.09 -0.16 -2.24 8.00 -1.22 -5.31 116.55 111.97 2ctn n ASP 88 Ca 0.26 -0.46 0.02 0.00 0.71 0.00 0.00 54.79 55.32 2ctn n ASP 88 Cb 0.37 -4.75 0.02 0.00 -0.02 0.00 0.00 41.12 36.74 2ctn n ASP 88 CO 0.00 0.00 0.00 -0.24 -0.39 0.00 0.00 177.20 176.57