#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1cyc n ASP 2 N 0.00 0.81 -0.08 1.61 5.75 -1.26 -2.06 116.55 121.32 1cyc n ASP 2 Ca 0.00 -0.70 -0.07 0.00 -0.01 0.00 0.00 54.79 54.01 1cyc n ASP 2 Cb 0.00 0.68 -0.00 0.00 -1.03 0.00 0.00 41.12 40.77 1cyc n ASP 2 CO 0.00 0.00 0.00 0.58 -0.11 0.00 0.00 177.20 177.67 1cyc h VAL 3 N 0.03 0.90 -0.26 2.12 2.07 -1.90 -2.36 116.25 116.86 1cyc h VAL 3 Ca 0.00 -0.07 0.02 0.00 0.82 0.00 0.00 66.70 67.47 1cyc h VAL 3 Cb 0.50 0.67 -0.03 0.00 -1.52 0.00 0.00 31.29 30.91 1cyc h VAL 3 CO 0.00 0.04 -0.16 0.00 0.02 0.00 0.00 177.57 177.47 1cyc h ALA 4 N 1.20 -0.15 -1.14 1.67 0.00 -1.85 -2.10 119.26 116.90 1cyc h ALA 4 Ca 0.14 0.03 0.32 0.00 0.00 0.00 0.00 54.91 55.39 1cyc h ALA 4 Cb 0.12 1.10 -0.08 0.00 0.00 0.00 0.00 17.79 18.92 1cyc h ALA 4 CO -0.15 -0.26 0.76 -0.22 0.00 0.00 0.00 179.25 179.38 1cyc h LYS 5 N -0.00 0.22 0.37 0.00 3.64 -1.49 0.88 116.57 120.20 1cyc h LYS 5 Ca 0.04 -0.01 -0.00 0.00 -1.27 0.00 0.00 60.65 59.41 1cyc h LYS 5 Cb 0.11 -0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 31.86 1cyc h LYS 5 CO -0.25 0.14 -0.37 0.78 -2.27 0.00 0.00 179.45 177.49 1cyc h GLY 6 N 0.23 -0.87 0.92 5.01 0.00 -0.94 -0.00 103.07 107.40 1cyc h GLY 6 Ca 0.62 0.43 -0.11 0.00 0.00 0.00 0.00 47.33 48.27 1cyc h GLY 6 CO -0.22 -0.31 -0.26 1.70 0.00 0.00 0.00 176.54 177.45 1cyc h LYS 7 N -0.77 0.62 -0.98 4.80 3.64 -0.59 3.07 116.57 126.36 1cyc h LYS 7 Ca -0.03 -0.33 0.17 0.00 -1.27 0.00 0.00 60.65 59.19 1cyc h LYS 7 Cb 0.69 0.01 -0.17 0.00 -0.41 0.00 0.00 32.23 32.35 1cyc h LYS 7 CO -0.06 0.93 -0.34 1.17 -2.27 0.00 0.00 179.45 178.88 1cyc n LYS 8 N -4.33 -0.18 0.02 1.90 4.81 -0.61 0.44 118.16 120.21 1cyc n LYS 8 Ca -0.04 1.52 -0.12 0.00 -0.87 0.00 0.00 58.31 58.80 1cyc n LYS 8 Cb 0.45 -2.26 0.00 0.00 0.02 0.00 0.00 35.03 33.24 1cyc n LYS 8 CO 0.00 0.00 0.00 1.15 1.17 0.00 0.00 177.40 179.72 1cyc h THR 9 N 0.00 1.34 0.03 3.15 2.02 0.66 -2.30 112.91 117.80 1cyc h THR 9 Ca 0.39 -2.02 -0.00 0.00 0.77 0.00 0.00 66.41 65.55 1cyc h THR 9 Cb 0.63 2.00 0.00 0.00 -1.74 0.00 0.00 68.15 69.04 1cyc h THR 9 CO -0.99 0.62 -0.01 0.15 0.37 0.00 0.00 175.52 175.66 1cyc h PHE 10 N 0.39 -0.03 0.00 3.16 3.04 0.73 -1.97 116.94 122.26 1cyc h PHE 10 Ca -0.03 -0.00 -0.06 0.00 3.98 0.00 0.00 57.97 61.86 1cyc h PHE 10 Cb 1.29 0.01 -0.01 0.00 2.56 0.00 0.00 35.95 39.81 1cyc h PHE 10 CO 0.06 0.10 -0.27 -0.39 -2.02 0.00 0.00 178.31 175.79 1cyc h VAL 11 N -0.16 0.88 0.34 1.41 -1.51 0.95 0.29 116.25 118.46 1cyc h VAL 11 Ca -0.00 -1.04 -0.02 0.00 -1.23 0.00 0.00 66.70 64.41 1cyc h VAL 11 Cb 0.14 1.61 0.00 0.00 -2.13 0.00 0.00 31.29 30.92 1cyc h VAL 11 CO 0.01 0.26 -0.16 1.56 -1.23 0.00 0.00 177.57 178.00 1cyc h GLN 12 N 0.00 -0.44 0.00 5.19 4.20 -1.30 -3.34 115.11 119.42 1cyc h GLN 12 Ca -0.00 0.03 -0.05 0.00 0.06 0.00 0.00 58.65 58.69 1cyc h GLN 12 Cb 0.59 0.10 -0.01 0.00 0.30 0.00 0.00 27.48 28.46 1cyc h GLN 12 CO 0.03 -0.12 -1.44 1.63 -0.67 0.00 0.00 178.83 178.27 1cyc n LYS 13 N -5.14 1.04 -0.04 1.46 5.02 -0.75 -4.82 118.16 114.93 1cyc n LYS 13 Ca -0.10 -0.05 -0.05 0.00 -2.02 0.00 0.00 58.31 56.09 1cyc n LYS 13 Cb 0.27 -1.20 -0.02 0.00 -0.02 0.00 0.00 35.03 34.06 1cyc n LYS 13 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1cyc n ALA 15 N -3.67 0.00 0.00 0.00 0.00 0.10 0.34 120.51 117.28 1cyc n ALA 15 Ca -0.07 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.37 1cyc n ALA 15 Cb 0.27 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.72 1cyc n ALA 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1cyc n GLN 16 N -0.23 0.00 0.00 0.00 10.64 -1.25 -4.28 117.38 122.26 1cyc n GLN 16 Ca 0.00 0.19 0.00 0.00 -1.83 0.00 0.00 57.00 55.36 1cyc n GLN 16 Cb 0.00 -1.52 0.00 0.00 -0.86 0.00 0.00 30.24 27.86 1cyc n GLN 16 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 1cyc n HIS 18 N 0.00 -3.72 -0.08 0.00 8.25 -1.20 -4.80 115.22 113.67 1cyc n HIS 18 Ca 0.00 0.06 0.00 0.00 -0.26 0.00 0.00 57.72 57.52 1cyc n HIS 18 Cb 0.00 -1.17 0.00 0.00 1.12 0.00 0.00 29.99 29.94 1cyc n HIS 18 CO 0.00 0.00 0.00 0.25 0.64 0.00 0.00 176.34 177.23 1cyc n THR 19 N -1.79 0.00 0.00 1.59 -2.24 -1.26 -4.79 114.28 105.79 1cyc n THR 19 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 1cyc n THR 19 Cb 0.43 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.66 1cyc n THR 19 CO 0.00 0.00 0.00 0.55 -0.57 0.00 0.00 175.07 175.05 1cyc n VAL 20 N 0.00 0.00 -1.19 2.28 3.14 -1.26 -4.77 118.33 116.54 1cyc n VAL 20 Ca 0.00 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.38 1cyc n VAL 20 Cb 0.00 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 32.78 1cyc n VAL 20 CO 0.00 0.00 0.00 -0.62 -6.46 0.00 0.00 176.83 169.75 1cyc n GLU 21 N 0.00 3.06 -2.33 1.45 4.71 -1.26 -4.83 120.64 121.44 1cyc n GLU 21 Ca 0.00 0.00 -0.35 0.00 -0.01 0.00 0.00 57.16 56.80 1cyc n GLU 21 Cb 0.00 0.00 -0.04 0.00 -1.01 0.00 0.00 31.44 30.39 1cyc n GLU 21 CO 0.00 0.00 0.00 -0.80 0.09 0.00 0.00 177.13 176.42 1cyc s ASN 22 N -1.00 5.87 -0.29 1.62 -0.87 -1.26 -3.05 114.94 115.96 1cyc s ASN 22 Ca 0.00 -1.00 0.00 0.00 -1.57 0.00 0.00 52.86 50.29 1cyc s ASN 22 Cb 0.00 -2.56 0.00 0.00 -0.02 0.00 0.00 41.25 38.67 1cyc s ASN 22 CO 0.00 -2.07 0.00 0.61 -2.57 0.00 0.00 177.10 173.07 1cyc n GLY 23 N 6.74 0.58 0.00 0.66 0.00 -1.26 -4.81 105.19 107.10 1cyc n GLY 23 Ca 0.34 -0.95 0.00 0.00 0.00 0.00 0.00 46.02 45.41 1cyc n GLY 23 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1cyc n GLY 24 N -2.59 0.00 0.00 -0.02 0.00 -1.17 -4.53 105.19 96.89 1cyc n GLY 24 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.99 1cyc n GLY 24 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1cyc n LYS 25 N -0.97 0.00 0.00 1.61 2.85 -1.26 -4.93 118.16 115.45 1cyc n LYS 25 Ca 0.00 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.26 1cyc n LYS 25 Cb 0.00 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.38 1cyc n LYS 25 CO 0.00 0.00 0.00 0.72 -0.05 0.00 0.00 177.40 178.07 1cyc n HIS 26 N -1.69 0.00 0.00 5.58 8.25 -1.26 -4.23 115.22 121.87 1cyc n HIS 26 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 1cyc n HIS 26 Cb 0.00 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.11 1cyc n HIS 26 CO 0.00 0.00 0.00 0.36 0.64 0.00 0.00 176.34 177.34 1cyc n LYS 27 N 0.00 0.00 0.00 -0.41 -0.00 -1.26 -4.75 118.16 111.74 1cyc n LYS 27 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.31 1cyc n LYS 27 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 35.03 35.03 1cyc n LYS 27 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.40 177.68 1cyc n VAL 28 N 0.00 0.00 -2.92 0.58 0.31 -1.26 -4.86 118.33 110.18 1cyc n VAL 28 Ca 0.00 0.00 -0.41 0.00 -0.01 0.00 0.00 64.34 63.92 1cyc n VAL 28 Cb 0.00 0.00 -0.04 0.00 -0.91 0.00 0.00 33.84 32.89 1cyc n VAL 28 CO 0.00 0.00 0.00 -0.83 -1.32 0.00 0.00 176.83 174.68 1cyc s GLY 29 N 0.00 2.73 0.83 2.92 0.00 -1.26 -5.04 107.32 107.50 1cyc s GLY 29 Ca 0.00 0.29 -0.16 0.00 0.00 0.00 0.00 44.72 44.85 1cyc s GLY 29 CO 0.00 1.36 -0.68 -1.05 0.00 0.00 0.00 173.10 172.73 1cyc n PRO 30 N 3.79 -0.37 -1.63 2.90 -0.02 -1.26 -4.51 135.00 133.90 1cyc n PRO 30 Ca 0.01 -0.11 -0.43 0.00 -2.02 0.00 0.00 63.50 60.96 1cyc n PRO 30 Cb 0.51 -1.10 -0.00 0.00 -0.02 0.00 0.00 33.50 32.88 1cyc n PRO 30 CO 0.00 0.00 0.00 -1.71 1.98 0.00 0.00 175.50 175.77 1cyc n ASN 31 N 2.40 1.69 -2.72 2.55 4.05 -1.26 -4.56 115.26 117.41 1cyc n ASN 31 Ca -0.00 1.13 -0.34 0.00 0.45 0.00 0.00 54.58 55.82 1cyc n ASN 31 Cb 0.43 -1.37 -0.01 0.00 1.23 0.00 0.00 39.78 40.07 1cyc n ASN 31 CO 0.00 0.00 0.00 0.18 -3.05 0.00 0.00 177.26 174.39 1cyc n LEU 32 N 0.82 7.03 0.00 1.20 4.77 -1.26 -4.93 117.00 124.63 1cyc n LEU 32 Ca 0.08 -4.47 0.00 0.00 -0.03 0.00 0.00 56.01 51.59 1cyc n LEU 32 Cb 0.36 -1.15 0.00 0.00 -2.33 0.00 0.00 43.42 40.30 1cyc n LEU 32 CO 0.59 1.75 0.00 0.79 -1.33 0.00 0.00 177.39 179.19 1cyc n TRP 33 N 0.15 0.00 -3.27 -1.77 8.01 -1.26 -4.55 117.44 114.75 1cyc n TRP 33 Ca 0.52 0.00 -0.25 0.00 -1.31 0.00 0.00 57.50 56.46 1cyc n TRP 33 Cb 0.38 0.00 -0.07 0.00 -2.01 0.00 0.00 31.31 29.61 1cyc n TRP 33 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 1cyc n GLY 34 N 0.00 3.80 0.00 6.99 0.00 -1.26 -4.55 105.19 110.17 1cyc n GLY 34 Ca 0.00 -2.10 0.00 0.00 0.00 0.00 0.00 46.02 43.92 1cyc n GLY 34 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1cyc n LEU 35 N 1.03 0.00 -4.53 0.99 4.77 -1.26 -3.74 117.00 114.26 1cyc n LEU 35 Ca 0.25 0.00 -0.15 0.00 -0.03 0.00 0.00 56.01 56.08 1cyc n LEU 35 Cb 0.49 0.00 -0.11 0.00 -2.33 0.00 0.00 43.42 41.47 1cyc n LEU 35 CO 0.28 0.00 1.40 0.49 -1.33 0.00 0.00 177.39 178.23 1cyc n PHE 36 N -3.20 0.84 0.00 -1.77 0.99 -1.26 -3.49 117.46 109.57 1cyc n PHE 36 Ca 0.00 -0.02 0.00 0.00 -0.00 0.00 0.00 57.45 57.43 1cyc n PHE 36 Cb 0.00 -2.07 0.00 0.00 -1.00 0.00 0.00 39.48 36.41 1cyc n PHE 36 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 1cyc n GLY 37 N 6.40 0.31 3.58 1.37 0.00 -1.25 -5.15 105.19 110.47 1cyc n GLY 37 Ca 0.50 -0.71 -0.05 0.00 0.00 0.00 0.00 46.02 45.76 1cyc n GLY 37 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1cyc s ARG 38 N 0.00 0.41 0.36 1.61 1.70 -1.23 -4.98 118.95 116.82 1cyc s ARG 38 Ca 0.00 -0.16 0.05 0.00 -0.47 0.00 0.00 55.73 55.15 1cyc s ARG 38 Cb 0.00 0.18 0.05 0.00 -0.57 0.00 0.00 34.95 34.61 1cyc s ARG 38 CO 0.00 -0.18 0.41 1.17 -1.08 0.00 0.00 175.30 175.62 1cyc n LYS 39 N -0.15 0.84 -3.67 3.89 4.81 -1.26 0.32 118.16 122.93 1cyc n LYS 39 Ca -0.02 -2.04 -0.36 0.00 -0.87 0.00 0.00 58.31 55.03 1cyc n LYS 39 Cb 0.59 -0.01 -0.09 0.00 0.02 0.00 0.00 35.03 35.54 1cyc n LYS 39 CO 0.00 0.00 0.00 -0.08 1.17 0.00 0.00 177.40 178.49 1cyc s THR 40 N -1.43 5.37 -5.00 3.15 -1.32 -1.26 -4.36 115.64 110.79 1cyc s THR 40 Ca 0.31 0.22 0.00 0.00 -1.21 0.00 0.00 61.69 61.01 1cyc s THR 40 Cb -0.02 -3.50 0.00 0.00 -1.51 0.00 0.00 72.50 67.46 1cyc s THR 40 CO 0.20 0.38 0.00 0.61 -2.21 0.00 0.00 174.62 173.60 1cyc n GLY 41 N 3.94 0.47 0.00 6.08 0.00 -1.26 -3.64 105.19 110.78 1cyc n GLY 41 Ca -0.15 -1.51 0.00 0.00 0.00 0.00 0.00 46.02 44.36 1cyc n GLY 41 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1cyc n GLN 42 N 0.00 0.00 0.00 1.61 0.00 -1.26 -4.85 117.38 112.88 1cyc n GLN 42 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.00 57.00 1cyc n GLN 42 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30.24 30.24 1cyc n GLN 42 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1cyc n ALA 43 N 0.92 0.82 0.00 1.69 0.00 -1.26 -4.95 120.51 117.73 1cyc n ALA 43 Ca 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 53.44 53.34 1cyc n ALA 43 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1cyc n ALA 43 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 1cyc n GLU 44 N 0.00 0.00 -1.01 0.00 4.07 -1.26 -4.90 120.64 117.53 1cyc n GLU 44 Ca 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.10 1cyc n GLU 44 Cb 0.46 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 31.84 1cyc n GLU 44 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1cyc n GLY 45 N 0.00 -1.29 0.00 8.31 0.00 -1.26 -5.04 105.19 105.91 1cyc n GLY 45 Ca 0.00 -0.36 0.00 0.00 0.00 0.00 0.00 46.02 45.66 1cyc n GLY 45 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1cyc n TYR 46 N -0.13 0.00 0.00 1.61 9.36 -1.26 -4.94 117.16 121.80 1cyc n TYR 46 Ca 0.00 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.22 1cyc n TYR 46 Cb 0.00 0.00 0.00 0.00 -0.63 0.00 0.00 39.34 38.71 1cyc n TYR 46 CO 0.00 0.00 0.00 -1.13 0.22 0.00 0.00 176.86 175.95 1cyc n SER 47 N 0.00 0.00 0.00 2.98 3.41 -1.26 -5.14 113.62 113.61 1cyc n SER 47 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 1cyc n SER 47 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 1cyc n SER 47 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1cyc n TYR 48 N 0.00 0.00 0.00 7.33 9.36 -1.26 -5.09 117.16 127.50 1cyc n TYR 48 Ca 0.00 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.22 1cyc n TYR 48 Cb 0.00 0.00 0.00 0.00 -0.63 0.00 0.00 39.34 38.71 1cyc n TYR 48 CO 0.00 0.00 0.00 0.25 0.22 0.00 0.00 176.86 177.33 1cyc n THR 49 N 0.01 0.00 -3.94 2.97 -2.24 -1.26 -4.99 114.28 104.83 1cyc n THR 49 Ca 0.00 0.11 -0.33 0.00 -2.27 0.00 0.00 64.05 61.56 1cyc n THR 49 Cb 0.00 -1.00 -0.05 0.00 -2.10 0.00 0.00 70.33 67.18 1cyc n THR 49 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1cyc s ASP 50 N -2.92 6.22 0.00 3.42 1.11 -1.26 -3.62 116.67 119.62 1cyc s ASP 50 Ca 0.00 0.29 0.00 0.00 0.18 0.00 0.00 52.55 53.02 1cyc s ASP 50 Cb 0.00 -1.91 0.00 0.00 1.07 0.00 0.00 42.92 42.08 1cyc s ASP 50 CO 0.00 0.25 0.00 0.00 1.18 0.00 0.00 175.17 176.60 1cyc n ALA 51 N 0.86 0.00 0.00 5.23 0.00 -1.26 -4.72 120.51 120.62 1cyc n ALA 51 Ca -0.10 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.34 1cyc n ALA 51 Cb 0.52 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.97 1cyc n ALA 51 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1cyc n ASN 52 N 0.00 0.00 0.00 0.00 4.13 -1.26 -4.16 115.26 113.97 1cyc n ASN 52 Ca 0.00 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.26 1cyc n ASN 52 Cb 0.00 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.24 1cyc n ASN 52 CO 0.00 0.00 0.00 0.29 0.28 0.00 0.00 177.26 177.83 1cyc n LYS 53 N 0.00 0.00 0.00 3.52 5.02 -1.24 -4.29 118.16 121.17 1cyc n LYS 53 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 1cyc n LYS 53 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.01 1cyc n LYS 53 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1cyc n SER 54 N 0.00 0.00 0.00 4.39 2.88 -1.24 0.18 113.62 119.83 1cyc n SER 54 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1cyc n SER 54 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 1cyc n SER 54 CO 0.00 0.00 0.00 1.17 -1.23 0.00 0.00 175.04 174.98 1cyc n LYS 55 N 0.00 0.00 -1.13 -1.46 4.81 -1.26 -4.88 118.16 114.24 1cyc n LYS 55 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 1cyc n LYS 55 Cb 0.00 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.05 1cyc n LYS 55 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1cyc n GLY 56 N -0.31 -0.86 0.00 3.14 0.00 0.48 -5.13 105.19 102.51 1cyc n GLY 56 Ca 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 46.02 45.86 1cyc n GLY 56 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1cyc n ILE 57 N -1.80 0.00 -3.41 -0.61 -5.35 -1.26 -4.92 119.36 102.01 1cyc n ILE 57 Ca 0.00 0.00 0.01 0.00 -0.27 0.00 0.00 62.75 62.49 1cyc n ILE 57 Cb 0.07 0.00 -0.05 0.00 -1.74 0.00 0.00 39.64 37.93 1cyc n ILE 57 CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33 1cyc s VAL 58 N 1.30 -0.31 -0.18 7.28 0.11 -1.26 -4.48 120.40 122.86 1cyc s VAL 58 Ca 0.00 0.00 -0.28 0.00 -2.93 0.00 0.00 61.98 58.77 1cyc s VAL 58 Cb 0.00 -1.00 -0.06 0.00 -1.53 0.00 0.00 36.38 33.79 1cyc s VAL 58 CO 0.00 0.00 2.16 0.26 -3.33 0.00 0.00 175.10 174.19 1cyc s TRP 59 N 2.12 1.20 0.36 1.54 0.23 0.95 -4.82 118.94 120.51 1cyc s TRP 59 Ca -0.03 0.36 0.05 0.00 -2.03 0.00 0.00 56.10 54.44 1cyc s TRP 59 Cb -0.04 -3.99 -0.02 0.00 0.03 0.00 0.00 33.47 29.45 1cyc s TRP 59 CO -0.16 -4.33 0.17 -1.71 0.96 0.00 0.00 176.95 171.87 1cyc n ASN 60 N 10.92 0.75 0.00 2.95 5.15 -1.26 -4.35 115.26 129.42 1cyc n ASN 60 Ca 0.28 -3.01 0.00 0.00 -0.60 0.00 0.00 54.58 51.25 1cyc n ASN 60 Cb 0.44 1.10 0.00 0.00 -0.53 0.00 0.00 39.78 40.79 1cyc n ASN 60 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 1cyc n GLU 61 N -0.79 0.00 0.00 1.20 4.71 -1.26 -3.34 120.64 121.16 1cyc n GLU 61 Ca -0.02 0.21 0.00 0.00 -0.01 0.00 0.00 57.16 57.34 1cyc n GLU 61 Cb 0.56 -1.12 0.00 0.00 -1.01 0.00 0.00 31.44 29.88 1cyc n GLU 61 CO 0.00 0.00 0.00 0.09 0.09 0.00 0.00 177.13 177.31 1cyc n ASN 62 N -0.97 0.00 -0.20 1.62 4.13 -1.26 -2.73 115.26 115.85 1cyc n ASN 62 Ca 0.00 0.00 0.17 0.00 1.68 0.00 0.00 54.58 56.43 1cyc n ASN 62 Cb 0.00 0.00 0.26 0.00 -1.54 0.00 0.00 39.78 38.50 1cyc n ASN 62 CO 0.00 0.00 0.00 1.07 0.28 0.00 0.00 177.26 178.61 1cyc n THR 63 N 0.00 0.00 0.02 3.41 5.66 -1.25 -1.37 114.28 120.75 1cyc n THR 63 Ca 0.00 0.55 -0.20 0.00 -3.05 0.00 0.00 64.05 61.36 1cyc n THR 63 Cb 0.00 -0.95 -0.10 0.00 -1.55 0.00 0.00 70.33 67.73 1cyc n THR 63 CO 0.00 0.00 0.00 -0.07 -3.05 0.00 0.00 175.07 171.95 1cyc h LEU 64 N 0.00 0.93 -0.41 1.09 4.07 -1.51 0.99 115.31 120.46 1cyc h LEU 64 Ca 0.30 -0.71 0.06 0.00 0.08 0.00 0.00 57.88 57.60 1cyc h LEU 64 Cb 1.36 -0.28 -0.05 0.00 1.08 0.00 0.00 40.66 42.77 1cyc h LEU 64 CO -0.00 1.51 0.12 0.24 -1.08 0.00 0.00 178.44 179.23 1cyc h MET 65 N 0.44 0.27 -0.69 1.13 2.86 -1.46 0.49 114.93 117.97 1cyc h MET 65 Ca -0.11 -0.02 0.10 0.00 -2.06 0.00 0.00 59.70 57.61 1cyc h MET 65 Cb 1.62 -0.06 -0.12 0.00 0.06 0.00 0.00 31.60 33.11 1cyc h MET 65 CO 0.19 0.18 -0.45 0.93 1.06 0.00 0.00 176.91 178.82 1cyc h GLU 66 N 0.28 -0.16 0.01 1.72 4.39 0.32 0.31 114.58 121.44 1cyc h GLU 66 Ca 0.19 0.01 -0.00 0.00 0.34 0.00 0.00 59.36 59.90 1cyc h GLU 66 Cb 0.20 0.04 0.00 0.00 -0.10 0.00 0.00 28.75 28.89 1cyc h GLU 66 CO -0.22 -0.11 -0.00 -0.92 -1.16 0.00 0.00 179.01 176.60 1cyc h TYR 67 N -0.17 -0.01 -0.95 4.33 -0.00 0.10 -3.13 116.97 117.15 1cyc h TYR 67 Ca 0.20 -0.00 0.15 0.00 -0.00 0.00 0.00 58.73 59.08 1cyc h TYR 67 Cb 0.55 0.00 -0.16 0.00 -0.00 0.00 0.00 36.73 37.12 1cyc h TYR 67 CO -0.78 0.85 -0.37 -0.07 -0.00 0.00 0.00 178.16 177.79 1cyc h LEU 68 N -0.93 -1.35 0.00 2.82 3.38 0.39 -2.68 115.31 116.94 1cyc h LEU 68 Ca -0.00 0.30 0.00 0.00 0.09 0.00 0.00 57.88 58.27 1cyc h LEU 68 Cb 0.86 0.72 0.00 0.00 0.09 0.00 0.00 40.66 42.33 1cyc h LEU 68 CO 0.00 -0.29 0.00 1.21 0.09 0.00 0.00 178.44 179.45 1cyc n GLU 69 N -5.48 0.00 -3.44 1.13 0.00 0.11 -4.69 120.64 108.26 1cyc n GLU 69 Ca 0.10 0.02 0.02 0.00 0.00 0.00 0.00 57.16 57.30 1cyc n GLU 69 Cb 0.40 -0.31 -0.05 0.00 0.00 0.00 0.00 31.44 31.48 1cyc n GLU 69 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.13 177.67 1cyc s ASN 70 N -1.72 -0.16 0.00 4.31 6.03 -1.01 -4.36 114.94 118.03 1cyc s ASN 70 Ca 0.00 0.24 0.02 0.00 -1.03 0.00 0.00 52.86 52.10 1cyc s ASN 70 Cb 0.00 1.13 0.15 0.00 -3.03 0.00 0.00 41.25 39.50 1cyc s ASN 70 CO 0.00 -0.04 0.61 -2.65 -2.03 0.00 0.00 177.10 172.99 1cyc n PRO 71 N 3.92 0.47 -3.38 3.55 -0.02 -1.26 -4.03 135.00 134.26 1cyc n PRO 71 Ca -0.12 0.00 -0.45 0.00 -2.02 0.00 0.00 63.50 60.90 1cyc n PRO 71 Cb 0.56 -1.08 -0.04 0.00 -0.02 0.00 0.00 33.50 32.92 1cyc n PRO 71 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 1cyc s LYS 72 N -2.00 3.36 0.00 -0.52 1.02 -1.26 -4.14 119.74 116.19 1cyc s LYS 72 Ca 0.04 -2.33 0.00 0.00 0.02 0.00 0.00 55.97 53.69 1cyc s LYS 72 Cb 0.02 -4.32 0.00 0.00 -0.52 0.00 0.00 37.83 33.01 1cyc s LYS 72 CO 0.03 -1.28 0.00 1.17 -0.92 0.00 0.00 175.35 174.35 1cyc n LYS 73 N 4.14 0.00 0.00 1.68 4.81 -1.26 -4.97 118.16 122.56 1cyc n LYS 73 Ca 0.08 0.16 0.00 0.00 -0.87 0.00 0.00 58.31 57.68 1cyc n LYS 73 Cb 0.45 -0.37 0.00 0.00 0.02 0.00 0.00 35.03 35.12 1cyc n LYS 73 CO 0.00 0.00 0.00 0.98 1.17 0.00 0.00 177.40 179.55 1cyc n TYR 74 N -0.05 0.00 -2.43 5.64 4.19 -1.26 -4.62 117.16 118.62 1cyc n TYR 74 Ca 0.00 0.00 -0.19 0.00 3.31 0.00 0.00 57.90 61.02 1cyc n TYR 74 Cb 0.00 0.00 -0.00 0.00 0.49 0.00 0.00 39.34 39.83 1cyc n TYR 74 CO 0.00 0.00 0.00 0.44 0.91 0.00 0.00 176.86 178.21 1cyc n ILE 75 N 0.00 -1.01 -1.64 2.97 -5.35 -1.26 -4.66 119.36 108.40 1cyc n ILE 75 Ca 0.00 0.00 -0.46 0.00 -0.27 0.00 0.00 62.75 62.02 1cyc n ILE 75 Cb 0.00 -2.85 -0.04 0.00 -1.74 0.00 0.00 39.64 35.01 1cyc n ILE 75 CO 0.00 0.00 0.00 -0.81 -1.76 0.00 0.00 176.55 173.98 1cyc n PRO 76 N -2.95 2.19 0.00 6.28 -0.04 -1.26 -2.90 135.00 136.32 1cyc n PRO 76 Ca -0.22 0.77 0.00 0.00 -0.04 0.00 0.00 63.50 64.01 1cyc n PRO 76 Cb 0.67 -2.79 0.00 0.00 -0.04 0.00 0.00 33.50 31.33 1cyc n PRO 76 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1cyc n GLY 77 N 4.85 1.69 3.77 0.55 0.00 -1.26 -4.86 105.19 109.93 1cyc n GLY 77 Ca 0.25 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.86 1cyc n GLY 77 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1cyc s THR 78 N -2.00 2.48 -2.00 2.61 -1.32 -1.14 -4.79 115.64 109.48 1cyc s THR 78 Ca 0.00 0.47 0.04 0.00 -1.21 0.00 0.00 61.69 60.99 1cyc s THR 78 Cb 0.00 -3.30 0.11 0.00 -1.51 0.00 0.00 72.50 67.80 1cyc s THR 78 CO 0.00 0.11 0.93 2.29 -2.21 0.00 0.00 174.62 175.74 1cyc n LYS 79 N 0.94 0.76 -3.10 7.08 2.85 -1.26 -4.72 118.16 120.72 1cyc n LYS 79 Ca 0.01 0.00 -0.40 0.00 -1.05 0.00 0.00 58.31 56.87 1cyc n LYS 79 Cb 0.41 -1.08 -0.06 0.00 -0.65 0.00 0.00 35.03 33.65 1cyc n LYS 79 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1cyc s MET 80 N -2.00 4.15 -0.76 -1.58 0.23 -1.26 -4.92 119.30 113.16 1cyc s MET 80 Ca 0.06 0.60 -0.26 0.00 -1.03 0.00 0.00 55.69 55.06 1cyc s MET 80 Cb 0.03 -3.62 -0.12 0.00 -1.53 0.00 0.00 34.83 29.58 1cyc s MET 80 CO 0.04 -0.36 2.36 0.42 -2.03 0.00 0.00 175.02 175.46 1cyc s ILE 81 N 2.31 3.05 0.01 3.16 1.09 -1.26 -4.95 121.20 124.61 1cyc s ILE 81 Ca 0.28 -0.03 0.05 0.00 -1.10 0.00 0.00 60.65 59.84 1cyc s ILE 81 Cb -0.16 -3.12 -0.02 0.00 -1.06 0.00 0.00 42.46 38.11 1cyc s ILE 81 CO 0.09 -0.11 -0.16 0.12 -0.10 0.00 0.00 174.94 174.78 1cyc s PHE 82 N 14.00 1.39 0.00 3.97 2.19 -1.26 -5.04 117.98 133.23 1cyc s PHE 82 Ca 0.91 -0.30 0.00 0.00 0.33 0.00 0.00 56.93 57.87 1cyc s PHE 82 Cb -0.13 -0.86 0.00 0.00 -1.31 0.00 0.00 43.02 40.72 1cyc s PHE 82 CO 0.10 0.01 0.09 0.00 1.83 0.00 0.00 175.22 177.25 1cyc n ALA 83 N 2.35 0.00 -1.95 11.12 0.00 -1.26 -4.80 120.51 125.97 1cyc n ALA 83 Ca -0.16 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.28 1cyc n ALA 83 Cb 0.55 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.00 1cyc n ALA 83 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1cyc n GLY 84 N 1.73 1.73 1.22 0.00 0.00 -1.26 -4.69 105.19 103.92 1cyc n GLY 84 Ca 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 46.02 45.78 1cyc n GLY 84 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1cyc n ILE 85 N 0.00 -0.78 -2.32 -0.61 2.08 -1.26 -4.61 119.36 111.86 1cyc n ILE 85 Ca 0.00 0.00 -0.21 0.00 0.56 0.00 0.00 62.75 63.10 1cyc n ILE 85 Cb 0.00 -2.46 0.02 0.00 -0.75 0.00 0.00 39.64 36.44 1cyc n ILE 85 CO 0.00 0.00 0.00 2.29 0.56 0.00 0.00 176.55 179.40 1cyc n LYS 86 N -1.22 3.13 -4.21 0.38 2.85 -1.26 -4.43 118.16 113.41 1cyc n LYS 86 Ca 0.00 -4.13 -0.25 0.00 -1.05 0.00 0.00 58.31 52.88 1cyc n LYS 86 Cb 0.41 -2.11 -0.17 0.00 -0.65 0.00 0.00 35.03 32.52 1cyc n LYS 86 CO 0.00 0.00 0.00 0.21 -0.05 0.00 0.00 177.40 177.56 1cyc s LYS 87 N -3.57 1.49 0.00 -1.58 2.20 -1.26 -4.99 119.74 112.03 1cyc s LYS 87 Ca 0.45 -0.29 0.00 0.00 -0.36 0.00 0.00 55.97 55.77 1cyc s LYS 87 Cb 0.40 -1.41 0.00 0.00 -1.51 0.00 0.00 37.83 35.31 1cyc s LYS 87 CO -0.04 -0.13 0.24 0.36 -0.36 0.00 0.00 175.35 175.41 1cyc n LYS 88 N 4.39 0.00 0.00 4.03 2.85 -1.26 -1.37 118.16 126.80 1cyc n LYS 88 Ca -0.18 0.24 0.00 0.00 -1.05 0.00 0.00 58.31 57.32 1cyc n LYS 88 Cb 0.51 -0.37 0.00 0.00 -0.65 0.00 0.00 35.03 34.52 1cyc n LYS 88 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1cyc n GLY 89 N -0.90 -2.37 0.31 2.58 0.00 -1.26 0.18 105.19 103.73 1cyc n GLY 89 Ca 0.00 0.50 -0.09 0.00 0.00 0.00 0.00 46.02 46.44 1cyc n GLY 89 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1cyc h GLU 90 N 0.00 1.10 0.01 1.61 5.08 -1.90 -0.99 114.58 119.49 1cyc h GLU 90 Ca 0.00 -0.32 -0.00 0.00 -1.00 0.00 0.00 59.36 58.04 1cyc h GLU 90 Cb 0.00 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.13 1cyc h GLU 90 CO 0.00 1.03 -0.00 -0.09 -1.00 0.00 0.00 179.01 178.95 1cyc h ARG 91 N 1.01 -0.01 0.00 2.33 2.43 -0.99 0.48 114.38 119.62 1cyc h ARG 91 Ca 0.19 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.36 1cyc h ARG 91 Cb 0.50 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.05 1cyc h ARG 91 CO 0.02 -0.01 0.00 0.00 -1.51 0.00 0.00 179.97 178.47 1cyc n GLN 92 N -2.19 0.00 -0.32 0.20 10.64 0.13 -2.14 117.38 123.70 1cyc n GLN 92 Ca -0.00 0.44 0.12 0.00 -1.83 0.00 0.00 57.00 55.73 1cyc n GLN 92 Cb 0.00 -0.68 0.34 0.00 -0.86 0.00 0.00 30.24 29.05 1cyc n GLN 92 CO 0.00 0.00 0.00 -0.44 -1.83 0.00 0.00 177.06 174.79 1cyc h ASP 93 N 0.00 0.73 0.00 2.61 5.19 -0.58 -0.11 116.42 124.27 1cyc h ASP 93 Ca 0.00 0.06 0.00 0.00 -0.62 0.00 0.00 57.03 56.47 1cyc h ASP 93 Cb 0.00 -0.08 0.00 0.00 0.18 0.00 0.00 39.33 39.43 1cyc h ASP 93 CO 0.00 0.33 0.00 -0.11 -3.12 0.00 0.00 179.24 176.34 1cyc n LEU 94 N -4.64 0.00 -0.27 1.55 -0.00 0.16 0.08 117.00 113.88 1cyc n LEU 94 Ca 0.20 0.86 0.11 0.00 -0.00 0.00 0.00 56.01 57.19 1cyc n LEU 94 Cb 0.51 -0.36 0.22 0.00 -0.00 0.00 0.00 43.42 43.79 1cyc n LEU 94 CO 0.26 -0.36 0.62 0.52 -0.00 0.00 0.00 177.39 178.43 1cyc n VAL 95 N -1.99 -0.33 -0.10 1.96 0.31 -0.59 0.27 118.33 117.85 1cyc n VAL 95 Ca 0.00 1.74 -0.06 0.00 -0.01 0.00 0.00 64.34 66.01 1cyc n VAL 95 Cb 0.00 -2.53 0.12 0.00 -0.91 0.00 0.00 33.84 30.52 1cyc n VAL 95 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1cyc h ALA 96 N 1.58 0.99 -0.61 3.52 0.00 -0.25 -3.11 119.26 121.38 1cyc h ALA 96 Ca 0.47 -0.31 0.08 0.00 0.00 0.00 0.00 54.91 55.15 1cyc h ALA 96 Cb 0.95 -0.18 -0.11 0.00 0.00 0.00 0.00 17.79 18.46 1cyc h ALA 96 CO -0.75 0.60 -0.48 -0.92 0.00 0.00 0.00 179.25 177.71 1cyc h TYR 97 N 0.72 -1.43 0.44 0.00 -0.00 0.78 -2.46 116.97 115.03 1cyc h TYR 97 Ca 0.12 0.09 -0.02 0.00 -0.00 0.00 0.00 58.73 58.92 1cyc h TYR 97 Cb 0.58 0.71 0.00 0.00 -0.00 0.00 0.00 36.73 38.02 1cyc h TYR 97 CO 0.03 -0.43 -0.21 -0.07 -0.00 0.00 0.00 178.16 177.48 1cyc h LEU 98 N -0.23 -0.50 -1.56 2.82 3.38 -1.52 0.18 115.31 117.89 1cyc h LEU 98 Ca 0.16 0.02 0.24 0.00 0.09 0.00 0.00 57.88 58.39 1cyc h LEU 98 Cb 0.56 0.13 -0.07 0.00 0.09 0.00 0.00 40.66 41.37 1cyc h LEU 98 CO -0.71 -0.21 0.64 0.50 0.09 0.00 0.00 178.44 178.74 1cyc h LYS 99 N -0.89 0.32 0.03 1.13 3.64 -1.47 -1.49 116.57 117.85 1cyc h LYS 99 Ca -0.06 -0.02 -0.00 0.00 -1.27 0.00 0.00 60.65 59.30 1cyc h LYS 99 Cb 0.46 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 32.20 1cyc h LYS 99 CO 0.10 0.21 -0.02 1.03 -2.27 0.00 0.00 179.45 178.50 1cyc h SER 100 N 0.33 -0.04 0.00 4.20 0.87 -1.13 -3.36 113.55 114.41 1cyc h SER 100 Ca 0.50 -0.67 -0.00 0.00 -1.23 0.00 0.00 61.79 60.39 1cyc h SER 100 Cb 1.40 0.01 -0.00 0.00 -0.44 0.00 0.00 62.40 63.37 1cyc h SER 100 CO -0.18 0.72 -0.02 0.00 -0.53 0.00 0.00 176.83 176.82 1cyc h ALA 101 N -0.07 0.00 0.02 6.23 0.00 -0.59 -3.38 119.26 121.48 1cyc h ALA 101 Ca -0.00 -0.21 -0.00 0.00 0.00 0.00 0.00 54.91 54.70 1cyc h ALA 101 Cb 0.70 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.51 1cyc h ALA 101 CO 0.01 0.02 -0.01 1.15 0.00 0.00 0.00 179.25 180.41 1cyc h THR 102 N -1.00 0.00 0.00 0.00 2.02 -1.44 -3.50 112.91 108.99 1cyc h THR 102 Ca -0.00 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.18 1cyc h THR 102 Cb 0.40 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 66.81 1cyc h THR 102 CO -0.00 0.00 0.00 -1.54 0.37 0.00 0.00 175.52 174.35