#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ctf s SER 2 N 0.00 -0.06 0.12 1.61 0.01 -1.26 -5.18 113.70 108.94 2ctf s SER 2 Ca 0.00 -0.96 -0.25 0.00 1.31 0.00 0.00 55.95 56.05 2ctf s SER 2 Cb 0.00 0.55 0.08 0.00 0.21 0.00 0.00 66.02 66.86 2ctf s SER 2 CO 0.00 -1.08 1.11 -0.44 0.41 0.00 0.00 173.24 173.23 2ctf s SER 3 N -3.03 -0.03 0.11 2.44 0.01 -1.26 -5.20 113.70 106.75 2ctf s SER 3 Ca 0.24 -0.48 -0.08 0.00 1.31 0.00 0.00 55.95 56.94 2ctf s SER 3 Cb 0.01 0.39 0.03 0.00 0.21 0.00 0.00 66.02 66.65 2ctf s SER 3 CO 0.08 -0.76 0.39 0.61 0.41 0.00 0.00 173.24 173.97 2ctf n GLY 4 N -0.69 1.21 3.94 3.44 0.00 -1.26 -5.19 105.19 106.65 2ctf n GLY 4 Ca -0.03 -1.05 -0.00 0.00 0.00 0.00 0.00 46.02 44.94 2ctf n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2ctf s SER 5 N -1.95 0.01 0.25 1.61 0.15 -1.26 -5.19 113.70 107.32 2ctf s SER 5 Ca 0.08 -0.46 -0.21 0.00 0.70 0.00 0.00 55.95 56.06 2ctf s SER 5 Cb -0.01 0.33 0.05 0.00 -1.71 0.00 0.00 66.02 64.68 2ctf s SER 5 CO 0.03 -0.67 0.87 -0.55 1.20 0.00 0.00 173.24 174.12 2ctf s SER 6 N -3.63 -0.12 -0.28 5.45 0.15 -1.26 -5.17 113.70 108.84 2ctf s SER 6 Ca 0.26 -0.69 -0.13 0.00 0.70 0.00 0.00 55.95 56.09 2ctf s SER 6 Cb -0.02 0.65 0.10 0.00 -1.71 0.00 0.00 66.02 65.04 2ctf s SER 6 CO 0.03 -1.23 0.65 -0.83 1.20 0.00 0.00 173.24 173.05 2ctf s GLY 7 N -3.05 -0.66 -0.21 9.45 0.00 -1.26 -5.14 107.32 106.45 2ctf s GLY 7 Ca 0.14 2.32 -0.13 0.00 0.00 0.00 0.00 44.72 47.05 2ctf s GLY 7 CO 0.06 2.68 0.29 -0.54 0.00 0.00 0.00 173.10 175.59 2ctf s GLU 8 N 2.23 4.15 1.10 2.90 2.02 -1.26 -5.08 118.70 124.76 2ctf s GLU 8 Ca -0.08 0.00 -0.16 0.00 0.02 0.00 0.00 54.97 54.76 2ctf s GLU 8 Cb -0.09 -3.51 0.24 0.00 0.10 0.00 0.00 34.13 30.87 2ctf s GLU 8 CO -0.19 0.06 1.10 -1.25 0.02 0.00 0.00 175.26 174.99 2ctf s PRO 9 N 1.05 -0.39 -0.19 0.39 0.04 -1.26 -5.09 135.00 129.54 2ctf s PRO 9 Ca 0.14 0.24 -0.13 0.00 0.04 0.00 0.00 61.00 61.28 2ctf s PRO 9 Cb -0.14 -1.67 0.06 0.00 0.04 0.00 0.00 34.50 32.79 2ctf s PRO 9 CO 0.06 -3.22 0.49 -1.21 0.04 0.00 0.00 177.00 173.15 2ctf s GLU 10 N -5.16 0.51 -0.13 4.56 0.41 -1.26 -5.16 118.70 112.48 2ctf s GLU 10 Ca 0.68 0.83 -0.08 0.00 -0.41 0.00 0.00 54.97 55.98 2ctf s GLU 10 Cb -0.15 0.11 0.04 0.00 -1.78 0.00 0.00 34.13 32.36 2ctf s GLU 10 CO 0.57 -0.13 0.31 0.15 -0.49 0.00 0.00 175.26 175.68 2ctf s LYS 11 N 1.04 0.31 0.22 1.61 -0.14 -1.26 -5.17 119.74 116.36 2ctf s LYS 11 Ca -0.06 0.56 -0.07 0.00 -1.36 0.00 0.00 55.97 55.04 2ctf s LYS 11 Cb -0.06 0.02 -0.02 0.00 -1.68 0.00 0.00 37.83 36.09 2ctf s LYS 11 CO -0.09 -0.11 0.29 -0.51 -0.76 0.00 0.00 175.35 174.16 2ctf s LEU 12 N 0.86 0.77 0.00 3.17 1.43 -1.26 -5.09 118.68 118.56 2ctf s LEU 12 Ca -0.06 -1.17 0.00 0.00 -1.03 0.00 0.00 54.13 51.88 2ctf s LEU 12 Cb -0.07 1.03 0.00 0.00 0.03 0.00 0.00 46.19 47.18 2ctf s LEU 12 CO -0.06 -0.98 0.00 0.61 0.23 0.00 0.00 176.35 176.15 2ctf n GLY 13 N -0.32 0.44 3.40 -3.19 0.00 -1.26 -5.13 105.19 99.14 2ctf n GLY 13 Ca 0.00 -0.36 -0.38 0.00 0.00 0.00 0.00 46.02 45.29 2ctf n GLY 13 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2ctf s GLN 14 N 0.00 3.31 0.18 1.61 -1.52 -1.26 -5.07 119.66 116.91 2ctf s GLN 14 Ca 0.00 -0.72 -0.17 0.00 -1.95 0.00 0.00 55.36 52.52 2ctf s GLN 14 Cb 0.00 -3.43 0.03 0.00 -0.22 0.00 0.00 33.01 29.38 2ctf s GLN 14 CO 0.00 -0.38 0.48 0.00 -0.25 0.00 0.00 175.29 175.15 2ctf s ALA 15 N 1.57 -0.85 -0.07 6.09 0.00 -1.26 -5.17 121.76 122.07 2ctf s ALA 15 Ca 0.04 -0.26 -0.03 0.00 0.00 0.00 0.00 51.96 51.72 2ctf s ALA 15 Cb -0.17 0.83 0.04 0.00 0.00 0.00 0.00 23.12 23.83 2ctf s ALA 15 CO 0.04 -0.77 0.15 -0.51 0.00 0.00 0.00 175.76 174.68 2ctf s LEU 16 N -2.87 0.61 -0.06 0.00 1.43 -1.26 -5.15 118.68 111.37 2ctf s LEU 16 Ca 0.09 0.31 -0.06 0.00 -1.03 0.00 0.00 54.13 53.45 2ctf s LEU 16 Cb -0.00 0.37 0.02 0.00 0.03 0.00 0.00 46.19 46.60 2ctf s LEU 16 CO -0.04 -0.16 0.17 0.42 0.23 0.00 0.00 176.35 176.97 2ctf s THR 17 N 1.32 -0.00 -0.50 5.49 -4.23 -1.26 -5.11 115.64 111.34 2ctf s THR 17 Ca -0.08 0.02 0.03 0.00 -1.18 0.00 0.00 61.69 60.48 2ctf s THR 17 Cb -0.12 -0.25 0.14 0.00 1.34 0.00 0.00 72.50 73.61 2ctf s THR 17 CO -0.06 0.01 0.27 -1.61 -0.54 0.00 0.00 174.62 172.69 2ctf s GLU 18 N 0.19 1.71 0.96 3.99 8.01 -1.26 -5.11 118.70 127.19 2ctf s GLU 18 Ca -0.01 -2.42 -0.15 0.00 0.01 0.00 0.00 54.97 52.40 2ctf s GLU 18 Cb -0.02 -2.89 0.17 0.00 -4.31 0.00 0.00 34.13 27.09 2ctf s GLU 18 CO -0.00 -1.15 1.22 0.14 0.01 0.00 0.00 175.26 175.47 2ctf s VAL 19 N -0.12 1.94 -0.01 2.63 -7.23 -1.26 -5.10 120.40 111.24 2ctf s VAL 19 Ca 0.18 0.00 -0.09 0.00 -1.81 0.00 0.00 61.98 60.26 2ctf s VAL 19 Cb -0.23 -2.86 0.01 0.00 0.56 0.00 0.00 36.38 33.86 2ctf s VAL 19 CO -0.02 0.00 0.19 -0.72 -0.31 0.00 0.00 175.10 174.25 2ctf s TYR 20 N -3.54 -0.05 -0.12 2.82 1.13 -1.26 -5.16 117.35 111.16 2ctf s TYR 20 Ca 0.69 0.06 -0.09 0.00 -1.41 0.00 0.00 57.07 56.31 2ctf s TYR 20 Cb -0.09 0.01 0.04 0.00 -1.10 0.00 0.00 41.96 40.82 2ctf s TYR 20 CO 0.53 -0.30 0.31 0.00 -2.51 0.00 0.00 175.55 173.58 2ctf s ALA 21 N -1.20 -0.77 0.72 9.51 0.00 -1.26 -5.15 121.76 123.62 2ctf s ALA 21 Ca -0.13 1.02 -0.17 0.00 0.00 0.00 0.00 51.96 52.69 2ctf s ALA 21 Cb -0.06 -0.62 -0.08 0.00 0.00 0.00 0.00 23.12 22.36 2ctf s ALA 21 CO 0.02 -0.18 0.12 0.36 0.00 0.00 0.00 175.76 176.09 2ctf n LYS 22 N 3.48 0.15 -1.51 0.00 2.85 -1.26 -4.86 118.16 117.01 2ctf n LYS 22 Ca -0.18 0.07 -0.34 0.00 -1.05 0.00 0.00 58.31 56.82 2ctf n LYS 22 Cb 0.56 -1.47 0.05 0.00 -0.65 0.00 0.00 35.03 33.51 2ctf n LYS 22 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 2ctf n ALA 23 N -2.22 6.29 -3.36 0.58 0.00 -1.26 -4.85 120.51 115.69 2ctf n ALA 23 Ca 0.07 -3.46 -0.45 0.00 0.00 0.00 0.00 53.44 49.60 2ctf n ALA 23 Cb 0.50 -1.85 -0.02 0.00 0.00 0.00 0.00 19.45 18.08 2ctf n ALA 23 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 2ctf s ASN 24 N -1.10 6.95 -0.23 0.00 3.84 -1.26 -4.85 114.94 118.29 2ctf s ASN 24 Ca 0.56 -3.14 -0.29 0.00 0.21 0.00 0.00 52.86 50.20 2ctf s ASN 24 Cb 0.44 -2.19 0.16 0.00 -0.55 0.00 0.00 41.25 39.11 2ctf s ASN 24 CO -0.18 -0.42 1.17 -0.94 -2.79 0.00 0.00 177.10 173.93 2ctf s SER 25 N 1.66 -0.23 -0.36 -4.21 1.04 -1.26 -5.13 113.70 105.21 2ctf s SER 25 Ca 0.24 0.27 -0.29 0.00 0.48 0.00 0.00 55.95 56.66 2ctf s SER 25 Cb -0.10 0.22 0.02 0.00 0.10 0.00 0.00 66.02 66.26 2ctf s SER 25 CO -0.09 -0.19 1.07 0.12 0.98 0.00 0.00 173.24 175.14 2ctf s PHE 26 N -0.91 3.07 -0.20 5.02 5.36 -1.26 -4.37 117.98 124.68 2ctf s PHE 26 Ca 0.03 1.04 -0.10 0.00 -0.96 0.00 0.00 56.93 56.94 2ctf s PHE 26 Cb -0.01 -3.86 -0.05 0.00 -0.34 0.00 0.00 43.02 38.76 2ctf s PHE 26 CO -0.04 -0.89 0.13 0.99 -1.46 0.00 0.00 175.22 173.95 2ctf s THR 27 N 3.82 5.40 -0.24 0.12 2.01 0.28 -4.91 115.64 122.11 2ctf s THR 27 Ca 0.45 0.19 0.01 0.00 0.31 0.00 0.00 61.69 62.65 2ctf s THR 27 Cb -0.11 -3.47 0.06 0.00 0.01 0.00 0.00 72.50 69.00 2ctf s THR 27 CO 0.19 0.44 -0.04 -0.69 -0.69 0.00 0.00 174.62 173.83 2ctf s VAL 28 N 0.39 1.54 0.14 3.82 1.01 -1.26 -0.77 120.40 125.27 2ctf s VAL 28 Ca 0.08 -1.27 0.06 0.00 0.00 0.00 0.00 61.98 60.85 2ctf s VAL 28 Cb -0.11 -1.82 -0.04 0.00 0.00 0.00 0.00 36.38 34.40 2ctf s VAL 28 CO -0.02 -0.14 -0.13 -0.55 0.00 0.00 0.00 175.10 174.27 2ctf s SER 29 N 1.38 2.00 0.02 3.32 0.15 -0.77 -5.00 113.70 114.80 2ctf s SER 29 Ca -0.05 -0.91 0.05 0.00 0.70 0.00 0.00 55.95 55.75 2ctf s SER 29 Cb -0.19 -0.06 -0.03 0.00 -1.71 0.00 0.00 66.02 64.03 2ctf s SER 29 CO -0.07 -0.21 -0.14 -0.94 1.20 0.00 0.00 173.24 173.09 2ctf s SER 30 N -2.81 4.12 -0.11 5.45 1.04 -1.26 -0.98 113.70 119.15 2ctf s SER 30 Ca 0.13 -0.29 -0.00 0.00 0.48 0.00 0.00 55.95 56.26 2ctf s SER 30 Cb -0.02 -0.81 -0.02 0.00 0.10 0.00 0.00 66.02 65.27 2ctf s SER 30 CO 0.03 0.28 -0.09 -0.69 0.98 0.00 0.00 173.24 173.75 2ctf s VAL 31 N -0.92 3.49 -0.34 5.02 1.01 -0.29 -4.96 120.40 123.40 2ctf s VAL 31 Ca 0.15 -0.53 -0.29 0.00 0.00 0.00 0.00 61.98 61.32 2ctf s VAL 31 Cb -0.11 -2.46 -0.01 0.00 0.00 0.00 0.00 36.38 33.80 2ctf s VAL 31 CO 0.05 0.54 1.65 0.00 0.00 0.00 0.00 175.10 177.35 2ctf s ALA 32 N -0.10 2.98 -0.14 5.51 0.00 -1.26 -1.63 121.76 127.11 2ctf s ALA 32 Ca 0.00 0.15 -0.13 0.00 0.00 0.00 0.00 51.96 51.98 2ctf s ALA 32 Cb -0.13 -3.97 0.04 0.00 0.00 0.00 0.00 23.12 19.05 2ctf s ALA 32 CO 0.03 -2.47 0.38 0.00 0.00 0.00 0.00 175.76 173.70 2ctf s ALA 33 N 6.20 -0.94 1.20 0.00 0.00 -1.24 -4.96 121.76 122.02 2ctf s ALA 33 Ca 0.73 1.10 -0.19 0.00 0.00 0.00 0.00 51.96 53.59 2ctf s ALA 33 Cb -0.20 -0.64 0.29 0.00 0.00 0.00 0.00 23.12 22.57 2ctf s ALA 33 CO 0.33 -0.18 1.11 -1.25 0.00 0.00 0.00 175.76 175.76 2ctf s PRO 34 N 0.29 -1.24 0.00 0.00 0.04 -1.26 -2.87 135.00 129.96 2ctf s PRO 34 Ca -0.01 -0.07 0.00 0.00 0.04 0.00 0.00 61.00 60.96 2ctf s PRO 34 Cb -0.03 -1.59 0.00 0.00 0.04 0.00 0.00 34.50 32.91 2ctf s PRO 34 CO -0.00 -3.72 0.03 -1.13 0.04 0.00 0.00 177.00 172.21 2ctf n SER 35 N -4.77 0.06 0.20 6.66 3.41 -1.26 -4.65 113.62 113.27 2ctf n SER 35 Ca 0.13 -0.44 0.14 0.00 -0.26 0.00 0.00 58.87 58.44 2ctf n SER 35 Cb 0.59 0.72 0.47 0.00 -0.26 0.00 0.00 64.21 65.74 2ctf n SER 35 CO 0.00 0.00 0.00 4.11 -0.16 0.00 0.00 175.04 178.99 2ctf h TRP 36 N 0.00 0.00 -0.28 7.33 5.08 -2.00 -2.87 115.95 123.21 2ctf h TRP 36 Ca 0.00 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.97 2ctf h TRP 36 Cb 0.01 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.17 2ctf h TRP 36 CO 0.00 0.00 0.00 1.47 -1.28 0.00 0.00 178.44 178.63 2ctf n LEU 37 N -2.73 3.58 -0.21 0.11 -0.00 -1.26 -4.61 117.00 111.87 2ctf n LEU 37 Ca 0.03 -2.71 -0.00 0.00 -0.00 0.00 0.00 56.01 53.32 2ctf n LEU 37 Cb 0.36 -0.45 0.23 0.00 -0.00 0.00 0.00 43.42 43.56 2ctf n LEU 37 CO 0.27 0.69 1.18 0.45 -0.00 0.00 0.00 177.39 179.99 2ctf h HIS 38 N 1.84 0.95 0.00 1.47 3.86 -1.77 0.23 115.15 121.72 2ctf h HIS 38 Ca 0.00 -0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 2ctf h HIS 38 Cb 1.22 -0.31 0.00 0.00 1.06 0.00 0.00 27.41 29.38 2ctf h HIS 38 CO 0.41 0.64 0.00 0.07 0.86 0.00 0.00 177.93 179.91 2ctf h ARG 39 N 0.99 0.00 0.00 2.45 0.11 -1.82 0.23 114.38 116.33 2ctf h ARG 39 Ca 0.26 0.00 -0.20 0.00 0.10 0.00 0.00 59.98 60.14 2ctf h ARG 39 Cb -0.03 0.00 -0.04 0.00 1.11 0.00 0.00 29.97 31.01 2ctf h ARG 39 CO -0.05 0.00 -1.82 1.19 0.10 0.00 0.00 179.97 179.39 2ctf n PHE 40 N -2.44 0.00 0.07 4.08 3.72 -0.33 -3.89 117.46 118.67 2ctf n PHE 40 Ca -0.02 0.00 -0.09 0.00 -0.05 0.00 0.00 57.45 57.30 2ctf n PHE 40 Cb 0.04 -0.57 0.03 0.00 -0.94 0.00 0.00 39.48 38.04 2ctf n PHE 40 CO 0.00 0.00 0.00 0.97 -0.05 0.00 0.00 176.76 177.68 2ctf h ILE 41 N 0.00 1.42 0.00 4.37 2.10 -0.09 -3.34 117.51 121.97 2ctf h ILE 41 Ca -0.29 -2.30 -0.02 0.00 1.08 0.00 0.00 64.86 63.33 2ctf h ILE 41 Cb 1.62 2.24 -0.00 0.00 -1.09 0.00 0.00 36.82 39.59 2ctf h ILE 41 CO 0.02 0.68 -0.14 0.40 -1.08 0.00 0.00 178.15 178.03 2ctf h ILE 42 N 0.19 0.80 0.00 2.19 2.04 -1.22 -3.41 117.51 118.09 2ctf h ILE 42 Ca -0.03 -1.64 0.00 0.00 1.00 0.00 0.00 64.86 64.19 2ctf h ILE 42 Cb 1.35 1.55 0.00 0.00 -0.74 0.00 0.00 36.82 38.99 2ctf h ILE 42 CO 0.12 0.27 0.00 0.61 0.00 0.00 0.00 178.15 179.16 2ctf n GLY 43 N 1.67 3.02 0.16 5.37 0.00 -1.25 -3.63 105.19 110.53 2ctf n GLY 43 Ca -0.07 -1.64 -0.07 0.00 0.00 0.00 0.00 46.02 44.24 2ctf n GLY 43 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2ctf h LYS 44 N 0.00 -0.04 -0.92 1.61 1.79 -1.93 -2.66 116.57 114.42 2ctf h LYS 44 Ca 0.00 0.00 -0.60 0.00 -2.18 0.00 0.00 60.65 57.87 2ctf h LYS 44 Cb 0.00 0.01 -0.38 0.00 -1.58 0.00 0.00 32.23 30.28 2ctf h LYS 44 CO 0.00 -0.03 -0.17 1.17 -1.08 0.00 0.00 179.45 179.35 2ctf n LYS 45 N -5.27 3.26 -3.69 3.15 4.81 -1.26 -4.97 118.16 114.18 2ctf n LYS 45 Ca -0.00 -3.86 -0.24 0.00 -0.87 0.00 0.00 58.31 53.33 2ctf n LYS 45 Cb 0.19 -2.28 0.00 0.00 0.02 0.00 0.00 35.03 32.96 2ctf n LYS 45 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2ctf n GLY 46 N -0.76 -1.12 0.22 3.14 0.00 -1.01 -4.89 105.19 100.77 2ctf n GLY 46 Ca 0.51 0.51 -0.13 0.00 0.00 0.00 0.00 46.02 46.91 2ctf n GLY 46 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 2ctf n GLN 47 N -2.61 0.36 -0.02 1.61 7.27 -1.25 -3.98 117.38 118.76 2ctf n GLN 47 Ca -0.27 0.11 -0.10 0.00 0.07 0.00 0.00 57.00 56.81 2ctf n GLN 47 Cb 0.60 -1.22 -0.04 0.00 2.41 0.00 0.00 30.24 31.99 2ctf n GLN 47 CO 0.00 0.00 0.00 -0.91 0.07 0.00 0.00 177.06 176.22 2ctf h ASN 48 N -0.20 -0.04 0.28 1.69 2.35 -1.87 -0.29 115.58 117.51 2ctf h ASN 48 Ca -0.36 0.03 -0.01 0.00 -0.55 0.00 0.00 56.30 55.40 2ctf h ASN 48 Cb 1.47 0.05 0.00 0.00 0.05 0.00 0.00 38.32 39.89 2ctf h ASN 48 CO -0.12 0.00 -0.13 -0.07 -1.65 0.00 0.00 177.43 175.46 2ctf h LEU 49 N 0.06 -0.32 -0.78 1.61 3.38 -1.80 -2.67 115.31 114.80 2ctf h LEU 49 Ca 0.07 -0.21 0.18 0.00 0.09 0.00 0.00 57.88 58.01 2ctf h LEU 49 Cb 0.08 0.08 -0.13 0.00 0.09 0.00 0.00 40.66 40.78 2ctf h LEU 49 CO -0.11 0.11 0.05 0.00 0.09 0.00 0.00 178.44 178.58 2ctf h ALA 50 N -0.34 0.87 0.66 1.53 0.00 -1.68 0.29 119.26 120.59 2ctf h ALA 50 Ca -0.04 0.24 -0.03 0.00 0.00 0.00 0.00 54.91 55.08 2ctf h ALA 50 Cb 0.51 0.40 0.00 0.00 0.00 0.00 0.00 17.79 18.70 2ctf h ALA 50 CO 0.06 -0.43 -0.34 -0.22 0.00 0.00 0.00 179.25 178.32 2ctf h LYS 51 N 0.13 -0.88 0.10 0.00 3.64 -1.07 -0.38 116.57 118.10 2ctf h LYS 51 Ca 0.44 0.06 0.01 0.00 -1.27 0.00 0.00 60.65 59.89 2ctf h LYS 51 Cb 0.78 0.20 -0.05 0.00 -0.41 0.00 0.00 32.23 32.76 2ctf h LYS 51 CO -0.66 -0.59 -0.52 0.82 -2.27 0.00 0.00 179.45 176.23 2ctf h ILE 52 N -0.92 0.02 -1.04 2.00 2.04 -1.03 -0.61 117.51 117.96 2ctf h ILE 52 Ca -0.09 0.00 0.27 0.00 1.00 0.00 0.00 64.86 66.04 2ctf h ILE 52 Cb 0.71 0.02 -0.08 0.00 -0.74 0.00 0.00 36.82 36.73 2ctf h ILE 52 CO 0.13 0.00 0.69 0.71 0.00 0.00 0.00 178.15 179.68 2ctf h THR 53 N -0.74 0.52 -0.75 -0.27 1.35 -0.49 0.35 112.91 112.89 2ctf h THR 53 Ca 0.00 -0.10 -0.04 0.00 -0.55 0.00 0.00 66.41 65.72 2ctf h THR 53 Cb 0.75 0.19 -0.03 0.00 -1.73 0.00 0.00 68.15 67.33 2ctf h THR 53 CO -0.30 0.06 0.32 -0.61 -0.25 0.00 0.00 175.52 174.73 2ctf h GLN 54 N 0.30 1.09 -0.00 4.72 5.75 0.53 -0.74 115.11 126.76 2ctf h GLN 54 Ca 0.57 -0.18 -0.22 0.00 -0.15 0.00 0.00 58.65 58.67 2ctf h GLN 54 Cb 1.62 -0.19 -0.00 0.00 1.07 0.00 0.00 27.48 29.98 2ctf h GLN 54 CO -0.22 0.87 -0.92 0.37 -2.65 0.00 0.00 178.83 176.29 2ctf h GLN 55 N 1.07 0.37 -2.64 1.69 5.75 0.13 -3.39 115.11 118.09 2ctf h GLN 55 Ca 0.25 -0.39 -0.60 0.00 -0.15 0.00 0.00 58.65 57.76 2ctf h GLN 55 Cb 0.17 0.11 -0.40 0.00 1.07 0.00 0.00 27.48 28.44 2ctf h GLN 55 CO -0.03 1.07 -0.82 -1.33 -2.65 0.00 0.00 178.83 175.08 2ctf n MET 56 N -3.73 0.86 0.22 1.69 2.81 -0.41 -4.94 117.12 113.61 2ctf n MET 56 Ca -0.06 -3.71 0.09 0.00 -1.81 0.00 0.00 57.70 52.21 2ctf n MET 56 Cb 0.82 -1.92 0.48 0.00 -0.71 0.00 0.00 33.22 31.89 2ctf n MET 56 CO 0.00 0.00 0.00 -1.00 1.51 0.00 0.00 175.97 176.48 2ctf h PRO 57 N 5.50 0.00 0.00 0.03 0.13 -1.34 -2.74 132.00 133.58 2ctf h PRO 57 Ca 0.22 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.34 2ctf h PRO 57 Cb 0.84 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.97 2ctf h PRO 57 CO 0.51 0.26 -0.06 0.87 -0.23 0.00 0.00 178.00 179.35 2ctf h LYS 58 N 0.00 0.00 -5.35 0.86 1.57 -1.92 -3.41 116.57 108.33 2ctf h LYS 58 Ca -0.00 0.00 -0.63 0.00 -1.87 0.00 0.00 60.65 58.15 2ctf h LYS 58 Cb 0.69 0.00 -0.14 0.00 0.08 0.00 0.00 32.23 32.86 2ctf h LYS 58 CO 0.03 0.06 0.01 0.08 -0.57 0.00 0.00 179.45 179.06 2ctf s VAL 59 N -3.90 5.01 -0.39 0.50 1.01 -1.03 -4.20 120.40 117.39 2ctf s VAL 59 Ca -0.01 0.67 -0.19 0.00 0.00 0.00 0.00 61.98 62.45 2ctf s VAL 59 Cb 0.11 -3.92 0.01 0.00 0.00 0.00 0.00 36.38 32.58 2ctf s VAL 59 CO 0.53 -0.09 0.54 -2.28 0.00 0.00 0.00 175.10 173.80 2ctf s HIS 60 N 2.43 3.14 -0.21 5.22 2.46 -0.65 -4.89 115.29 122.79 2ctf s HIS 60 Ca 0.21 -0.01 -0.14 0.00 0.47 0.00 0.00 55.06 55.59 2ctf s HIS 60 Cb -0.15 -3.05 -0.04 0.00 -0.13 0.00 0.00 32.58 29.20 2ctf s HIS 60 CO 0.12 -0.68 0.30 0.42 -2.47 0.00 0.00 174.74 172.43 2ctf s ILE 61 N 2.47 5.27 0.08 0.89 1.01 -1.26 -2.81 121.20 126.85 2ctf s ILE 61 Ca 0.18 0.51 0.10 0.00 0.00 0.00 0.00 60.65 61.44 2ctf s ILE 61 Cb -0.15 -3.64 -0.03 0.00 0.01 0.00 0.00 42.46 38.65 2ctf s ILE 61 CO 0.15 0.31 -0.26 -0.70 0.00 0.00 0.00 174.94 174.44 2ctf s GLU 62 N 1.09 1.69 -0.41 2.79 2.12 -0.77 -4.97 118.70 120.24 2ctf s GLU 62 Ca 0.15 -1.18 0.03 0.00 0.36 0.00 0.00 54.97 54.32 2ctf s GLU 62 Cb -0.14 -1.97 0.12 0.00 0.26 0.00 0.00 34.13 32.39 2ctf s GLU 62 CO 0.06 0.49 0.16 -0.06 -0.54 0.00 0.00 175.26 175.37 2ctf s PHE 63 N -0.91 2.80 1.24 5.30 0.08 -1.26 -2.94 117.98 122.29 2ctf s PHE 63 Ca 0.13 -2.68 -0.19 0.00 0.12 0.00 0.00 56.93 54.31 2ctf s PHE 63 Cb -0.10 -2.42 0.30 0.00 -0.57 0.00 0.00 43.02 40.22 2ctf s PHE 63 CO 0.04 -0.84 1.05 -0.08 -0.10 0.00 0.00 175.22 175.29 2ctf s THR 64 N 0.58 1.57 0.00 0.64 -1.32 -1.23 -5.00 115.64 110.88 2ctf s THR 64 Ca 0.14 0.00 0.00 0.00 -1.21 0.00 0.00 61.69 60.62 2ctf s THR 64 Cb -0.22 -2.33 0.00 0.00 -1.51 0.00 0.00 72.50 68.44 2ctf s THR 64 CO -0.07 0.00 0.00 -1.84 -2.21 0.00 0.00 174.62 170.50 2ctf n GLU 65 N -4.97 4.48 0.00 7.08 0.00 -1.26 -4.69 120.64 121.29 2ctf n GLU 65 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.27 2ctf n GLU 65 Cb 0.59 -0.49 0.00 0.00 0.00 0.00 0.00 31.44 31.54 2ctf n GLU 65 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 2ctf n GLY 66 N 1.01 0.90 0.41 -1.84 0.00 -1.26 -4.72 105.19 99.68 2ctf n GLY 66 Ca 0.00 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.13 2ctf n GLY 66 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2ctf n GLU 67 N -0.45 1.11 -4.04 1.61 -0.58 -1.26 -4.99 120.64 112.05 2ctf n GLU 67 Ca 0.00 -0.83 -0.33 0.00 -0.42 0.00 0.00 57.16 55.58 2ctf n GLU 67 Cb 0.01 -1.46 -0.03 0.00 -0.57 0.00 0.00 31.44 29.39 2ctf n GLU 67 CO 0.00 0.00 0.00 -0.40 -0.48 0.00 0.00 177.13 176.25 2ctf n ASP 68 N -0.25 -1.31 -3.54 1.62 5.75 -1.26 -4.90 116.55 112.65 2ctf n ASP 68 Ca 0.08 -1.09 -0.11 0.00 -0.01 0.00 0.00 54.79 53.66 2ctf n ASP 68 Cb 0.43 -1.33 -0.03 0.00 -1.03 0.00 0.00 41.12 39.16 2ctf n ASP 68 CO 0.00 0.00 0.00 -1.59 -0.11 0.00 0.00 177.20 175.50 2ctf s LYS 69 N -6.91 1.20 -0.27 0.11 0.00 -1.14 -3.72 119.74 109.02 2ctf s LYS 69 Ca 0.21 -0.61 -0.04 0.00 0.00 0.00 0.00 55.97 55.53 2ctf s LYS 69 Cb -0.12 0.53 0.02 0.00 0.00 0.00 0.00 37.83 38.26 2ctf s LYS 69 CO 0.83 -0.50 0.01 0.42 0.00 0.00 0.00 175.35 176.11 2ctf s ILE 70 N -3.79 3.43 -0.10 3.79 1.01 -0.65 -3.48 121.20 121.42 2ctf s ILE 70 Ca 0.03 -0.83 -0.27 0.00 0.00 0.00 0.00 60.65 59.58 2ctf s ILE 70 Cb 0.00 -2.74 -0.02 0.00 0.01 0.00 0.00 42.46 39.71 2ctf s ILE 70 CO -0.12 0.16 0.88 -0.89 0.00 0.00 0.00 174.94 174.97 2ctf s THR 71 N 1.42 4.89 -0.08 2.92 2.01 -1.15 -1.14 115.64 124.51 2ctf s THR 71 Ca 0.02 1.78 0.04 0.00 0.31 0.00 0.00 61.69 63.84 2ctf s THR 71 Cb -0.17 -4.20 -0.01 0.00 0.01 0.00 0.00 72.50 68.13 2ctf s THR 71 CO -0.01 0.09 -0.21 -0.76 -0.69 0.00 0.00 174.62 173.04 2ctf s LEU 72 N 1.62 2.28 -0.03 4.42 2.01 -0.15 -1.84 118.68 126.99 2ctf s LEU 72 Ca 0.43 -0.44 0.03 0.00 0.01 0.00 0.00 54.13 54.16 2ctf s LEU 72 Cb -0.18 -1.45 0.00 0.00 0.01 0.00 0.00 46.19 44.57 2ctf s LEU 72 CO 0.18 0.23 -0.11 -1.61 1.01 0.00 0.00 176.35 176.05 2ctf s GLU 73 N -0.06 1.21 0.00 1.70 2.02 -1.12 -1.85 118.70 120.60 2ctf s GLU 73 Ca -0.05 -0.38 0.00 0.00 0.02 0.00 0.00 54.97 54.56 2ctf s GLU 73 Cb -0.14 -1.09 0.00 0.00 0.10 0.00 0.00 34.13 32.99 2ctf s GLU 73 CO 0.04 0.13 0.00 0.41 0.02 0.00 0.00 175.26 175.86 2ctf n GLY 74 N 3.33 -0.25 3.70 -1.39 0.00 0.05 -1.63 105.19 109.01 2ctf n GLY 74 Ca -0.19 -1.58 -0.42 0.00 0.00 0.00 0.00 46.02 43.83 2ctf n GLY 74 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2ctf s PRO 75 N -1.96 4.30 0.60 1.61 0.04 -1.26 0.99 135.00 139.32 2ctf s PRO 75 Ca 0.00 2.03 0.32 0.00 0.04 0.00 0.00 61.00 63.38 2ctf s PRO 75 Cb 0.00 -3.41 1.13 0.00 0.04 0.00 0.00 34.50 32.26 2ctf s PRO 75 CO 0.00 -0.50 1.41 0.00 0.04 0.00 0.00 177.00 177.94 2ctf h THR 76 N 4.58 0.03 0.45 1.26 1.03 -1.85 0.45 112.91 118.86 2ctf h THR 76 Ca -0.40 0.00 -0.02 0.00 -0.01 0.00 0.00 66.41 65.97 2ctf h THR 76 Cb 1.20 0.06 0.00 0.00 -1.07 0.00 0.00 68.15 68.34 2ctf h THR 76 CO 0.88 0.00 -0.22 -0.08 -0.01 0.00 0.00 175.52 176.10 2ctf h GLU 77 N 0.00 -0.58 0.09 0.00 4.57 -1.91 -2.58 114.58 114.16 2ctf h GLU 77 Ca 0.56 0.04 -0.26 0.00 -1.18 0.00 0.00 59.36 58.52 2ctf h GLU 77 Cb 2.96 0.13 0.03 0.00 -0.16 0.00 0.00 28.75 31.71 2ctf h GLU 77 CO -0.01 -0.28 -1.08 -0.44 -1.18 0.00 0.00 179.01 176.02 2ctf h ASP 78 N -0.85 0.80 -0.86 1.04 5.19 -0.65 -3.29 116.42 117.79 2ctf h ASP 78 Ca -0.06 -0.81 0.20 0.00 -0.62 0.00 0.00 57.03 55.73 2ctf h ASP 78 Cb 0.57 -0.25 -0.12 0.00 0.18 0.00 0.00 39.33 39.71 2ctf h ASP 78 CO 0.10 1.53 0.36 0.58 -3.12 0.00 0.00 179.24 178.68 2ctf h VAL 79 N 0.17 0.52 -0.35 -1.35 2.07 -0.71 0.38 116.25 116.98 2ctf h VAL 79 Ca -0.16 -0.14 -0.05 0.00 0.82 0.00 0.00 66.70 67.17 2ctf h VAL 79 Cb 1.77 0.07 -0.02 0.00 -1.52 0.00 0.00 31.29 31.59 2ctf h VAL 79 CO 0.21 0.07 0.01 -1.28 0.02 0.00 0.00 177.57 176.60 2ctf h SER 80 N 0.41 0.50 0.22 0.57 0.87 -1.53 0.36 113.55 114.94 2ctf h SER 80 Ca 0.52 -0.09 -0.01 0.00 -1.23 0.00 0.00 61.79 60.98 2ctf h SER 80 Cb 0.93 -0.13 0.00 0.00 -0.44 0.00 0.00 62.40 62.77 2ctf h SER 80 CO -0.50 0.57 -0.10 0.58 -0.53 0.00 0.00 176.83 176.84 2ctf h VAL 81 N 0.52 0.66 0.22 2.23 2.07 -0.44 -1.80 116.25 119.70 2ctf h VAL 81 Ca 0.11 -0.99 -0.00 0.00 0.82 0.00 0.00 66.70 66.64 2ctf h VAL 81 Cb 0.32 1.09 -0.01 0.00 -1.52 0.00 0.00 31.29 31.17 2ctf h VAL 81 CO 0.01 0.17 -0.18 0.00 0.02 0.00 0.00 177.57 177.58 2ctf h ALA 82 N -0.48 -0.40 -0.62 1.67 0.00 -0.87 0.60 119.26 119.17 2ctf h ALA 82 Ca -0.03 -0.06 0.06 0.00 0.00 0.00 0.00 54.91 54.87 2ctf h ALA 82 Cb 0.49 0.25 -0.05 0.00 0.00 0.00 0.00 17.79 18.48 2ctf h ALA 82 CO 0.05 -0.74 0.33 -0.56 0.00 0.00 0.00 179.25 178.32 2ctf h GLN 83 N -0.42 0.59 -0.33 0.00 3.07 -1.05 -1.59 115.11 115.38 2ctf h GLN 83 Ca -0.01 -0.04 -0.01 0.00 0.09 0.00 0.00 58.65 58.69 2ctf h GLN 83 Cb 0.38 -0.13 -0.02 0.00 0.08 0.00 0.00 27.48 27.79 2ctf h GLN 83 CO -0.02 0.39 0.18 1.49 0.09 0.00 0.00 178.83 180.96 2ctf h GLU 84 N 0.61 0.45 -0.89 0.06 4.81 -1.04 -0.89 114.58 117.69 2ctf h GLU 84 Ca 0.28 -0.05 0.07 0.00 -0.13 0.00 0.00 59.36 59.53 2ctf h GLU 84 Cb 0.19 -0.09 -0.07 0.00 0.63 0.00 0.00 28.75 29.42 2ctf h GLU 84 CO -0.19 0.38 0.55 1.96 -0.73 0.00 0.00 179.01 180.99 2ctf h GLN 85 N 0.40 0.96 -0.21 1.92 4.20 -0.35 -1.53 115.11 120.50 2ctf h GLN 85 Ca 0.11 -0.06 -0.13 0.00 0.06 0.00 0.00 58.65 58.63 2ctf h GLN 85 Cb 0.06 -0.22 -0.01 0.00 0.30 0.00 0.00 27.48 27.61 2ctf h GLN 85 CO -0.02 0.63 -0.43 0.82 -0.67 0.00 0.00 178.83 179.17 2ctf h ILE 86 N 0.99 1.31 -0.29 2.54 2.04 -0.98 -2.88 117.51 120.23 2ctf h ILE 86 Ca 0.40 -1.61 0.04 0.00 1.00 0.00 0.00 64.86 64.69 2ctf h ILE 86 Cb 0.21 1.62 -0.02 0.00 -0.74 0.00 0.00 36.82 37.90 2ctf h ILE 86 CO -0.19 0.50 0.20 -0.33 0.00 0.00 0.00 178.15 178.33 2ctf h GLU 87 N 0.41 0.23 0.13 2.37 4.39 -0.13 0.27 114.58 122.25 2ctf h GLU 87 Ca 0.03 -0.01 -0.01 0.00 0.34 0.00 0.00 59.36 59.71 2ctf h GLU 87 Cb 0.92 -0.05 0.00 0.00 -0.10 0.00 0.00 28.75 29.52 2ctf h GLU 87 CO 0.08 0.15 -0.06 0.78 -1.16 0.00 0.00 179.01 178.80 2ctf h GLY 88 N 0.24 -0.19 1.29 -3.84 0.00 -1.27 -2.72 103.07 96.58 2ctf h GLY 88 Ca 0.13 0.07 0.06 0.00 0.00 0.00 0.00 47.33 47.59 2ctf h GLY 88 CO -0.02 -0.07 0.33 0.00 0.00 0.00 0.00 176.54 176.77 2ctf h MET 89 N -0.99 0.39 0.62 4.80 -0.00 -1.40 -0.50 114.93 117.85 2ctf h MET 89 Ca -0.02 -0.02 -0.03 0.00 -0.00 0.00 0.00 59.70 59.63 2ctf h MET 89 Cb 0.39 -0.09 0.01 0.00 -0.00 0.00 0.00 31.60 31.90 2ctf h MET 89 CO 0.03 0.26 -0.30 0.28 -0.00 0.00 0.00 176.91 177.19 2ctf h VAL 90 N 0.41 0.00 0.05 -0.10 2.07 -1.03 -2.17 116.25 115.47 2ctf h VAL 90 Ca 0.21 -0.30 0.02 0.00 0.82 0.00 0.00 66.70 67.46 2ctf h VAL 90 Cb 0.32 0.00 -0.04 0.00 -1.52 0.00 0.00 31.29 30.06 2ctf h VAL 90 CO -0.05 0.00 -0.25 0.50 0.02 0.00 0.00 177.57 177.79 2ctf h LYS 91 N -1.13 -0.40 -0.67 1.57 3.64 -1.29 -2.03 116.57 116.26 2ctf h LYS 91 Ca -0.08 0.03 0.14 0.00 -1.27 0.00 0.00 60.65 59.46 2ctf h LYS 91 Cb 0.63 0.09 -0.12 0.00 -0.41 0.00 0.00 32.23 32.43 2ctf h LYS 91 CO 0.14 -0.27 -0.05 0.22 -2.27 0.00 0.00 179.45 177.22 2ctf h ASP 92 N -0.41 -0.40 -0.21 4.20 1.82 -1.18 0.21 116.42 120.44 2ctf h ASP 92 Ca 0.05 0.18 0.04 0.00 -0.39 0.00 0.00 57.03 56.91 2ctf h ASP 92 Cb 0.47 0.33 -0.04 0.00 0.68 0.00 0.00 39.33 40.78 2ctf h ASP 92 CO -0.18 -0.17 -0.05 -0.07 -1.61 0.00 0.00 179.24 177.16 2ctf h LEU 93 N 0.07 -0.18 -0.59 2.28 3.38 -0.86 -2.09 115.31 117.33 2ctf h LEU 93 Ca 0.35 0.06 -0.01 0.00 0.09 0.00 0.00 57.88 58.37 2ctf h LEU 93 Cb 0.57 0.13 -0.03 0.00 0.09 0.00 0.00 40.66 41.42 2ctf h LEU 93 CO -0.61 -0.06 0.33 0.40 0.09 0.00 0.00 178.44 178.59 2ctf h ILE 94 N 0.01 1.19 -0.78 1.22 2.04 -0.42 -2.67 117.51 118.08 2ctf h ILE 94 Ca 0.10 -0.45 0.13 0.00 1.00 0.00 0.00 64.86 65.64 2ctf h ILE 94 Cb 0.15 0.42 -0.09 0.00 -0.74 0.00 0.00 36.82 36.56 2ctf h ILE 94 CO -0.21 0.20 0.37 0.78 0.00 0.00 0.00 178.15 179.29 2ctf h ASN 95 N 0.80 0.43 -0.71 1.72 2.35 -0.16 -1.21 115.58 118.79 2ctf h ASN 95 Ca 0.21 0.09 0.16 0.00 -0.55 0.00 0.00 56.30 56.20 2ctf h ASN 95 Cb 0.02 0.03 -0.11 0.00 0.05 0.00 0.00 38.32 38.31 2ctf h ASN 95 CO -0.04 0.19 0.12 0.03 -1.65 0.00 0.00 177.43 176.09 2ctf h ARG 96 N 0.56 0.21 -7.31 0.81 3.08 -1.03 -3.42 114.38 107.28 2ctf h ARG 96 Ca 0.42 -0.01 -0.46 0.00 0.07 0.00 0.00 59.98 60.00 2ctf h ARG 96 Cb 0.58 -0.05 0.17 0.00 0.08 0.00 0.00 29.97 30.75 2ctf h ARG 96 CO -0.35 0.14 0.18 -1.12 -1.07 0.00 0.00 179.97 177.74 2ctf s SER 97 N -5.23 2.55 0.08 7.04 0.01 -0.46 -4.82 113.70 112.87 2ctf s SER 97 Ca -0.13 1.37 0.00 0.00 1.31 0.00 0.00 55.95 58.50 2ctf s SER 97 Cb 0.21 -2.05 0.00 0.00 0.21 0.00 0.00 66.02 64.39 2ctf s SER 97 CO 0.75 -3.20 0.00 0.61 0.41 0.00 0.00 173.24 171.81 2ctf n GLY 98 N -0.70 -0.59 3.77 3.44 0.00 -1.26 -4.85 105.19 105.00 2ctf n GLY 98 Ca 0.05 -1.13 -0.40 0.00 0.00 0.00 0.00 46.02 44.54 2ctf n GLY 98 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2ctf s PRO 99 N 0.00 4.36 -0.04 1.61 0.04 -1.26 -4.97 135.00 134.74 2ctf s PRO 99 Ca 0.00 2.01 -0.03 0.00 0.04 0.00 0.00 61.00 63.02 2ctf s PRO 99 Cb 0.00 -3.01 -0.02 0.00 0.04 0.00 0.00 34.50 31.51 2ctf s PRO 99 CO 0.00 -0.11 -0.08 0.45 0.04 0.00 0.00 177.00 177.30 2ctf n SER 100 N 0.73 0.69 -4.88 6.66 2.88 -1.26 -4.99 113.62 113.44 2ctf n SER 100 Ca 0.01 0.11 -0.31 0.00 -1.33 0.00 0.00 58.87 57.34 2ctf n SER 100 Cb 0.44 -0.26 -0.05 0.00 -0.75 0.00 0.00 64.21 63.59 2ctf n SER 100 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 2ctf s SER 101 N -5.69 6.57 0.00 -3.46 0.15 -1.26 -5.22 113.70 104.79 2ctf s SER 101 Ca -0.08 0.86 0.00 0.00 0.70 0.00 0.00 55.95 57.43 2ctf s SER 101 Cb 0.03 -2.20 0.00 0.00 -1.71 0.00 0.00 66.02 62.13 2ctf s SER 101 CO 0.11 -0.11 0.00 0.61 1.20 0.00 0.00 173.24 175.05