#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 0.57 0.37 1.61 0.01 -1.26 -5.17 113.70 109.84 2ctf s SER 2 Ca 0.00 -1.04 0.05 0.00 1.31 0.00 0.00 55.95 56.27 2ctf s SER 2 Cb 0.00 0.20 -0.01 0.00 0.21 0.00 0.00 66.02 66.42 2ctf s SER 2 CO 0.00 -0.60 0.54 -0.94 0.41 0.00 0.00 173.24 172.64 2ctf s SER 3 N -2.97 5.91 0.30 2.44 1.04 -1.26 -5.08 113.70 114.08 2ctf s SER 3 Ca 0.11 -0.05 -0.28 0.00 0.48 0.00 0.00 55.95 56.21 2ctf s SER 3 Cb 0.07 -1.30 -0.09 0.00 0.10 0.00 0.00 66.02 64.80 2ctf s SER 3 CO -0.07 -0.53 1.00 -0.83 0.98 0.00 0.00 173.24 173.79 2ctf s GLY 4 N -4.19 2.96 -0.06 7.32 0.00 -1.26 -5.06 107.32 107.03 2ctf s GLY 4 Ca 0.46 0.68 0.01 0.00 0.00 0.00 0.00 44.72 45.87 2ctf s GLY 4 CO 0.33 1.20 -0.07 -0.56 0.00 0.00 0.00 173.10 174.01 2ctf s SER 5 N -1.28 1.45 1.02 1.64 0.01 -1.26 -5.13 113.70 110.15 2ctf s SER 5 Ca 0.47 -0.20 -0.20 0.00 1.31 0.00 0.00 55.95 57.33 2ctf s SER 5 Cb -0.25 -0.62 -0.07 0.00 0.21 0.00 0.00 66.02 65.30 2ctf s SER 5 CO 0.31 -0.06 -0.65 -1.20 0.41 0.00 0.00 173.24 172.06 2ctf n SER 6 N 4.26 -3.40 0.00 2.44 7.64 -1.26 -4.94 113.62 118.35 2ctf n SER 6 Ca -0.20 0.06 0.00 0.00 1.01 0.00 0.00 58.87 59.74 2ctf n SER 6 Cb 0.51 -0.80 0.00 0.00 -1.01 0.00 0.00 64.21 62.91 2ctf n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2ctf n GLY 7 N 2.78 -0.82 3.53 0.23 0.00 -1.26 -5.14 105.19 104.51 2ctf n GLY 7 Ca 0.00 0.63 -0.41 0.00 0.00 0.00 0.00 46.02 46.23 2ctf n GLY 7 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2ctf n GLU 8 N 0.00 0.92 -0.75 1.61 1.02 -1.26 -4.97 120.64 117.21 2ctf n GLU 8 Ca 0.00 0.33 -0.21 0.00 -0.02 0.00 0.00 57.16 57.26 2ctf n GLU 8 Cb 0.00 -1.77 0.18 0.00 -0.02 0.00 0.00 31.44 29.83 2ctf n GLU 8 CO 0.00 0.00 0.00 -0.35 1.18 0.00 0.00 177.13 177.96 2ctf n PRO 9 N 0.30 -2.55 -3.22 3.49 -0.04 -1.26 -5.02 135.00 126.70 2ctf n PRO 9 Ca 0.11 -1.25 -0.36 0.00 -0.04 0.00 0.00 63.50 61.96 2ctf n PRO 9 Cb 0.39 -1.17 -0.06 0.00 -0.04 0.00 0.00 33.50 32.62 2ctf n PRO 9 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 2ctf s GLU 10 N -4.78 4.14 0.09 0.54 8.01 -1.26 -5.08 118.70 120.36 2ctf s GLU 10 Ca 0.51 0.70 -0.15 0.00 0.01 0.00 0.00 54.97 56.04 2ctf s GLU 10 Cb -0.05 -2.94 0.03 0.00 -4.31 0.00 0.00 34.13 26.85 2ctf s GLU 10 CO 0.39 0.46 0.37 0.15 0.01 0.00 0.00 175.26 176.63 2ctf s LYS 11 N -1.86 0.97 1.41 1.61 3.01 -1.26 -5.17 119.74 118.45 2ctf s LYS 11 Ca 0.39 -0.63 -0.23 0.00 -1.01 0.00 0.00 55.97 54.49 2ctf s LYS 11 Cb -0.16 0.43 0.36 0.00 -1.01 0.00 0.00 37.83 37.44 2ctf s LYS 11 CO 0.20 -0.35 0.96 -0.51 0.51 0.00 0.00 175.35 176.16 2ctf s LEU 12 N -2.53 -0.93 -0.38 3.17 1.43 -1.26 -4.76 118.68 113.43 2ctf s LEU 12 Ca 0.00 0.74 -0.38 0.00 -1.03 0.00 0.00 54.13 53.45 2ctf s LEU 12 Cb 0.01 -2.17 -0.14 0.00 0.03 0.00 0.00 46.19 43.92 2ctf s LEU 12 CO -0.08 -5.26 2.10 0.61 0.23 0.00 0.00 176.35 173.95 2ctf n GLY 13 N 0.96 0.38 3.39 -3.19 0.00 -1.26 -4.91 105.19 100.56 2ctf n GLY 13 Ca 0.14 0.98 -0.20 0.00 0.00 0.00 0.00 46.02 46.94 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 5.73 1.66 0.97 1.61 -1.52 -1.26 -5.14 119.66 121.70 2ctf s GLN 14 Ca 1.11 -1.96 -0.13 0.00 -1.95 0.00 0.00 55.36 52.43 2ctf s GLN 14 Cb -1.07 -0.35 0.03 0.00 -0.22 0.00 0.00 33.01 31.41 2ctf s GLN 14 CO 0.56 -0.40 0.33 0.00 -0.25 0.00 0.00 175.29 175.53 2ctf n ALA 15 N -0.66 -2.83 -0.98 6.09 0.00 -1.26 -4.83 120.51 116.03 2ctf n ALA 15 Ca -0.01 -0.66 -0.16 0.00 0.00 0.00 0.00 53.44 52.60 2ctf n ALA 15 Cb 0.65 -1.75 -0.00 0.00 0.00 0.00 0.00 19.45 18.35 2ctf n ALA 15 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2ctf n LEU 16 N -1.16 6.22 0.00 0.00 4.77 -1.26 -4.42 117.00 121.15 2ctf n LEU 16 Ca 0.06 -3.34 0.11 0.00 -0.03 0.00 0.00 56.01 52.81 2ctf n LEU 16 Cb 0.54 -1.14 0.54 0.00 -2.33 0.00 0.00 43.42 41.04 2ctf n LEU 16 CO 0.51 1.35 0.84 0.41 -1.33 0.00 0.00 177.39 179.16 2ctf n THR 17 N 0.79 0.32 -3.61 -5.08 -1.04 -1.26 -4.76 114.28 99.64 2ctf n THR 17 Ca 0.31 0.08 -0.16 0.00 -2.04 0.00 0.00 64.05 62.24 2ctf n THR 17 Cb 0.59 -0.73 -0.07 0.00 -1.82 0.00 0.00 70.33 68.30 2ctf n THR 17 CO 0.00 0.00 0.00 -1.83 -0.64 0.00 0.00 175.07 172.60 2ctf s GLU 18 N -2.55 0.89 0.86 -2.82 1.03 -1.26 -5.16 118.70 109.69 2ctf s GLU 18 Ca 0.21 0.25 -0.15 0.00 0.03 0.00 0.00 54.97 55.30 2ctf s GLU 18 Cb 0.14 0.42 -0.03 0.00 -0.80 0.00 0.00 34.13 33.86 2ctf s GLU 18 CO 0.32 -0.25 0.21 1.33 -1.33 0.00 0.00 175.26 175.55 2ctf n VAL 19 N 1.35 0.60 -0.46 1.83 0.24 -1.26 -4.90 118.33 115.72 2ctf n VAL 19 Ca -0.19 -0.33 0.10 0.00 -2.04 0.00 0.00 64.34 61.88 2ctf n VAL 19 Cb 0.57 -0.52 0.30 0.00 -1.47 0.00 0.00 33.84 32.71 2ctf n VAL 19 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2ctf n TYR 20 N -2.90 1.06 -2.17 6.34 4.11 -1.26 -4.92 117.16 117.42 2ctf n TYR 20 Ca 0.06 -0.56 -0.41 0.00 -0.00 0.00 0.00 57.90 56.99 2ctf n TYR 20 Cb 0.52 -0.11 -0.03 0.00 -0.00 0.00 0.00 39.34 39.72 2ctf n TYR 20 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.86 176.86 2ctf s ALA 21 N -1.42 2.60 0.07 -3.48 0.00 -1.26 -4.95 121.76 113.31 2ctf s ALA 21 Ca 0.44 -0.44 -0.03 0.00 0.00 0.00 0.00 51.96 51.93 2ctf s ALA 21 Cb 0.26 -4.15 -0.03 0.00 0.00 0.00 0.00 23.12 19.20 2ctf s ALA 21 CO 0.25 -3.20 0.05 0.15 0.00 0.00 0.00 175.76 173.01 2ctf s LYS 22 N 6.09 0.71 -0.39 0.00 -0.14 -1.26 -5.02 119.74 119.72 2ctf s LYS 22 Ca 0.64 -1.15 -0.05 0.00 -1.36 0.00 0.00 55.97 54.05 2ctf s LYS 22 Cb -0.14 0.25 0.09 0.00 -1.68 0.00 0.00 37.83 36.35 2ctf s LYS 22 CO 0.26 -0.17 0.19 0.00 -0.76 0.00 0.00 175.35 174.87 2ctf s ALA 23 N -3.91 3.15 0.06 5.17 0.00 -1.26 -5.07 121.76 119.90 2ctf s ALA 23 Ca 0.08 -2.27 0.03 0.00 0.00 0.00 0.00 51.96 49.79 2ctf s ALA 23 Cb 0.07 -2.42 -0.03 0.00 0.00 0.00 0.00 23.12 20.74 2ctf s ALA 23 CO -0.09 -1.66 -0.08 1.21 0.00 0.00 0.00 175.76 175.13 2ctf s ASN 24 N 1.85 1.08 -0.09 0.00 3.84 -1.26 -5.09 114.94 115.27 2ctf s ASN 24 Ca 0.04 -0.69 -0.01 0.00 0.21 0.00 0.00 52.86 52.41 2ctf s ASN 24 Cb -0.22 0.04 -0.00 0.00 -0.55 0.00 0.00 41.25 40.51 2ctf s ASN 24 CO -0.01 -0.25 -0.01 0.28 -2.79 0.00 0.00 177.10 174.31 2ctf h SER 25 N 4.03 0.00 -3.63 -4.21 0.02 -2.00 -3.45 113.55 104.30 2ctf h SER 25 Ca -0.36 0.00 -0.62 0.00 -0.84 0.00 0.00 61.79 59.97 2ctf h SER 25 Cb 1.19 0.00 -0.14 0.00 0.14 0.00 0.00 62.40 63.59 2ctf h SER 25 CO 0.47 0.46 -0.40 0.12 -1.14 0.00 0.00 176.83 176.34 2ctf s PHE 26 N -1.54 3.30 -0.19 3.45 2.19 -1.26 -4.65 117.98 119.29 2ctf s PHE 26 Ca -0.01 0.32 -0.02 0.00 0.33 0.00 0.00 56.93 57.55 2ctf s PHE 26 Cb 0.00 -2.38 -0.01 0.00 -1.31 0.00 0.00 43.02 39.32 2ctf s PHE 26 CO 0.02 -0.03 -0.10 0.99 1.83 0.00 0.00 175.22 177.94 2ctf s THR 27 N 1.36 3.05 -0.25 0.12 2.01 -0.79 -5.01 115.64 116.13 2ctf s THR 27 Ca 0.11 -0.62 0.01 0.00 0.31 0.00 0.00 61.69 61.50 2ctf s THR 27 Cb -0.14 -2.34 0.06 0.00 0.01 0.00 0.00 72.50 70.09 2ctf s THR 27 CO 0.07 0.47 -0.04 -0.69 -0.69 0.00 0.00 174.62 173.74 2ctf s VAL 28 N 1.12 1.55 0.12 3.82 1.01 -1.26 -1.61 120.40 125.15 2ctf s VAL 28 Ca 0.01 -1.31 0.04 0.00 0.00 0.00 0.00 61.98 60.72 2ctf s VAL 28 Cb -0.14 -1.85 -0.04 0.00 0.00 0.00 0.00 36.38 34.34 2ctf s VAL 28 CO -0.02 -0.16 -0.10 -0.44 0.00 0.00 0.00 175.10 174.37 2ctf s SER 29 N 1.37 1.62 0.19 3.32 0.01 -0.81 -4.97 113.70 114.42 2ctf s SER 29 Ca -0.04 -0.93 0.09 0.00 1.31 0.00 0.00 55.95 56.37 2ctf s SER 29 Cb -0.19 0.00 -0.04 0.00 0.21 0.00 0.00 66.02 66.00 2ctf s SER 29 CO -0.07 -0.31 -0.07 -0.44 0.41 0.00 0.00 173.24 172.76 2ctf s SER 30 N -2.87 4.37 -0.16 2.44 0.01 -1.26 0.11 113.70 116.35 2ctf s SER 30 Ca 0.12 -0.55 0.00 0.00 1.31 0.00 0.00 55.95 56.83 2ctf s SER 30 Cb 0.01 -0.79 0.00 0.00 0.21 0.00 0.00 66.02 65.45 2ctf s SER 30 CO -0.00 0.09 -0.16 -0.69 0.41 0.00 0.00 173.24 172.89 2ctf s VAL 31 N -1.77 2.58 -0.30 3.43 1.01 0.12 -4.91 120.40 120.55 2ctf s VAL 31 Ca 0.26 -0.79 -0.30 0.00 0.00 0.00 0.00 61.98 61.15 2ctf s VAL 31 Cb -0.09 -2.09 -0.07 0.00 0.00 0.00 0.00 36.38 34.13 2ctf s VAL 31 CO 0.16 0.51 2.25 0.00 0.00 0.00 0.00 175.10 178.02 2ctf n ALA 32 N 4.21 1.45 -3.02 5.51 0.00 -1.26 -1.35 120.51 126.04 2ctf n ALA 32 Ca -0.19 -0.28 -0.12 0.00 0.00 0.00 0.00 53.44 52.84 2ctf n ALA 32 Cb 0.51 -2.84 -0.13 0.00 0.00 0.00 0.00 19.45 17.00 2ctf n ALA 32 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2ctf s ALA 33 N 8.53 -0.35 1.13 0.00 0.00 -1.23 -4.94 121.76 124.91 2ctf s ALA 33 Ca 1.04 0.38 -0.17 0.00 0.00 0.00 0.00 51.96 53.21 2ctf s ALA 33 Cb -0.48 -0.22 0.25 0.00 0.00 0.00 0.00 23.12 22.67 2ctf s ALA 33 CO 0.38 -0.07 1.10 -1.25 0.00 0.00 0.00 175.76 175.93 2ctf s PRO 34 N 0.03 -0.68 0.00 0.00 0.04 -1.26 -3.31 135.00 129.82 2ctf s PRO 34 Ca -0.00 0.13 0.00 0.00 0.04 0.00 0.00 61.00 61.16 2ctf s PRO 34 Cb -0.01 -1.64 0.00 0.00 0.04 0.00 0.00 34.50 32.89 2ctf s PRO 34 CO 0.00 -3.39 0.00 -1.13 0.04 0.00 0.00 177.00 172.52 2ctf n SER 35 N -4.57 3.96 0.09 6.66 3.41 -1.26 -4.62 113.62 117.28 2ctf n SER 35 Ca 0.10 -0.07 0.08 0.00 -0.26 0.00 0.00 58.87 58.71 2ctf n SER 35 Cb 0.59 0.94 0.36 0.00 -0.26 0.00 0.00 64.21 65.84 2ctf n SER 35 CO 0.00 0.00 0.00 -2.67 -0.16 0.00 0.00 175.04 172.21 2ctf n TRP 36 N -1.33 0.43 -1.48 7.33 4.27 -1.26 -1.38 117.44 124.02 2ctf n TRP 36 Ca 0.00 0.20 0.06 0.00 -3.89 0.00 0.00 57.50 53.87 2ctf n TRP 36 Cb 0.00 -0.83 0.20 0.00 -1.36 0.00 0.00 31.31 29.32 2ctf n TRP 36 CO 0.00 0.00 0.00 1.47 -2.29 0.00 0.00 177.69 176.87 2ctf n LEU 37 N -1.93 2.77 0.24 5.67 -0.00 -1.26 -4.72 117.00 117.77 2ctf n LEU 37 Ca 0.00 -3.73 0.08 0.00 -0.00 0.00 0.00 56.01 52.36 2ctf n LEU 37 Cb 0.09 -0.52 0.60 0.00 -0.00 0.00 0.00 43.42 43.59 2ctf n LEU 37 CO 0.10 1.26 0.97 0.45 -0.00 0.00 0.00 177.39 180.16 2ctf h HIS 38 N 0.82 0.00 0.00 1.47 3.86 -1.50 0.25 115.15 120.05 2ctf h HIS 38 Ca 0.02 0.00 -0.07 0.00 -1.16 0.00 0.00 60.37 59.16 2ctf h HIS 38 Cb 1.06 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 29.52 2ctf h HIS 38 CO 0.63 0.12 -0.34 -0.09 0.86 0.00 0.00 177.93 179.12 2ctf h ARG 39 N 0.00 0.00 0.05 2.45 2.43 -1.84 -3.05 114.38 114.42 2ctf h ARG 39 Ca -0.00 0.00 -0.33 0.00 -0.81 0.00 0.00 59.98 58.84 2ctf h ARG 39 Cb 0.23 0.00 -0.04 0.00 -0.42 0.00 0.00 29.97 29.74 2ctf h ARG 39 CO 0.02 0.34 -1.90 1.19 -1.51 0.00 0.00 179.97 178.10 2ctf n PHE 40 N -3.22 1.01 0.20 2.20 3.72 -0.53 -2.84 117.46 118.00 2ctf n PHE 40 Ca 0.02 0.29 0.04 0.00 -0.05 0.00 0.00 57.45 57.75 2ctf n PHE 40 Cb 0.63 -1.16 0.42 0.00 -0.94 0.00 0.00 39.48 38.44 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 0.03 1.14 0.00 4.37 2.10 -0.62 -3.23 117.51 121.30 2ctf h ILE 41 Ca -0.37 -1.09 -0.14 0.00 1.08 0.00 0.00 64.86 64.34 2ctf h ILE 41 Cb 2.03 1.60 -0.02 0.00 -1.09 0.00 0.00 36.82 39.34 2ctf h ILE 41 CO 0.07 0.30 -0.80 0.40 -1.08 0.00 0.00 178.15 177.05 2ctf h ILE 42 N 0.00 1.08 0.00 2.19 2.04 -1.68 -3.42 117.51 117.73 2ctf h ILE 42 Ca -0.00 -2.11 0.00 0.00 1.00 0.00 0.00 64.86 63.74 2ctf h ILE 42 Cb 0.57 2.35 0.00 0.00 -0.74 0.00 0.00 36.82 39.00 2ctf h ILE 42 CO 0.04 0.37 0.00 0.61 0.00 0.00 0.00 178.15 179.17 2ctf n GLY 43 N 1.51 2.72 0.26 5.37 0.00 -1.13 -3.49 105.19 110.42 2ctf n GLY 43 Ca -0.23 -1.99 0.25 0.00 0.00 0.00 0.00 46.02 44.05 2ctf n GLY 43 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2ctf n LYS 44 N 0.03 -0.04 0.06 1.61 2.85 -1.26 -3.67 118.16 117.74 2ctf n LYS 44 Ca 0.00 0.97 0.00 0.00 -1.05 0.00 0.00 58.31 58.23 2ctf n LYS 44 Cb 0.00 -1.78 0.00 0.00 -0.65 0.00 0.00 35.03 32.60 2ctf n LYS 44 CO 0.00 0.00 0.00 1.17 -0.05 0.00 0.00 177.40 178.52 2ctf n LYS 45 N -4.48 0.00 0.00 -1.58 0.00 -1.26 -5.07 118.16 105.77 2ctf n LYS 45 Ca 0.28 0.00 0.00 0.00 0.00 0.00 0.00 58.31 58.59 2ctf n LYS 45 Cb 0.99 -0.18 0.00 0.00 0.00 0.00 0.00 35.03 35.83 2ctf n LYS 45 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2ctf n GLY 46 N 2.15 0.00 0.14 3.14 0.00 -1.24 -5.04 105.19 104.33 2ctf n GLY 46 Ca 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.79 2ctf n GLY 46 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 2ctf h GLN 47 N 0.00 0.45 -0.55 1.61 7.50 -1.88 -2.56 115.11 119.67 2ctf h GLN 47 Ca 0.00 -0.76 0.06 0.00 0.50 0.00 0.00 58.65 58.45 2ctf h GLN 47 Cb 0.00 0.28 -0.05 0.00 0.05 0.00 0.00 27.48 27.76 2ctf h GLN 47 CO 0.00 1.36 0.26 -0.91 -1.50 0.00 0.00 178.83 178.04 2ctf h ASN 48 N -0.04 0.34 0.22 1.46 2.35 -1.88 -0.96 115.58 117.08 2ctf h ASN 48 Ca -0.23 0.04 -0.01 0.00 -0.55 0.00 0.00 56.30 55.55 2ctf h ASN 48 Cb 1.98 -0.01 0.00 0.00 0.05 0.00 0.00 38.32 40.34 2ctf h ASN 48 CO 0.22 0.23 -0.11 -0.07 -1.65 0.00 0.00 177.43 176.05 2ctf h LEU 49 N 0.49 -0.26 -0.93 1.61 3.38 -1.71 -3.03 115.31 114.86 2ctf h LEU 49 Ca 0.26 -0.27 0.27 0.00 0.09 0.00 0.00 57.88 58.22 2ctf h LEU 49 Cb 0.21 0.07 -0.14 0.00 0.09 0.00 0.00 40.66 40.88 2ctf h LEU 49 CO -0.20 0.23 0.37 0.00 0.09 0.00 0.00 178.44 178.93 2ctf h ALA 50 N -0.35 1.55 0.59 1.53 0.00 -1.33 -0.02 119.26 121.24 2ctf h ALA 50 Ca -0.03 0.21 -0.03 0.00 0.00 0.00 0.00 54.91 55.06 2ctf h ALA 50 Cb 0.51 0.25 0.01 0.00 0.00 0.00 0.00 17.79 18.56 2ctf h ALA 50 CO 0.05 -0.50 -0.28 0.87 0.00 0.00 0.00 179.25 179.38 2ctf h LYS 51 N 0.26 -0.76 0.33 0.00 1.79 -1.20 0.12 116.57 117.10 2ctf h LYS 51 Ca 0.63 0.05 -0.00 0.00 -2.18 0.00 0.00 60.65 59.15 2ctf h LYS 51 Cb 1.34 0.17 -0.03 0.00 -1.58 0.00 0.00 32.23 32.13 2ctf h LYS 51 CO -0.64 -0.51 -0.50 0.82 -1.08 0.00 0.00 179.45 177.55 2ctf h ILE 52 N -0.79 0.04 -0.96 1.86 2.04 -0.94 -1.43 117.51 117.33 2ctf h ILE 52 Ca -0.08 0.00 0.14 0.00 1.00 0.00 0.00 64.86 65.91 2ctf h ILE 52 Cb 0.61 0.04 -0.09 0.00 -0.74 0.00 0.00 36.82 36.64 2ctf h ILE 52 CO 0.13 0.00 0.58 0.00 0.00 0.00 0.00 178.15 178.86 2ctf h THR 53 N -0.88 0.85 -0.43 -0.27 1.03 -1.16 0.19 112.91 112.25 2ctf h THR 53 Ca -0.03 -0.30 0.05 0.00 -0.01 0.00 0.00 66.41 66.12 2ctf h THR 53 Cb 0.81 -0.10 -0.04 0.00 -1.07 0.00 0.00 68.15 67.75 2ctf h THR 53 CO -0.16 0.16 0.17 -0.61 -0.01 0.00 0.00 175.52 175.07 2ctf h GLN 54 N 0.87 0.34 -0.03 0.00 4.15 -0.11 -0.88 115.11 119.45 2ctf h GLN 54 Ca 0.50 -0.02 -0.16 0.00 0.77 0.00 0.00 58.65 59.73 2ctf h GLN 54 Cb 0.58 -0.08 -0.01 0.00 0.21 0.00 0.00 27.48 28.18 2ctf h GLN 54 CO -0.30 0.23 -0.71 0.37 -1.93 0.00 0.00 178.83 176.48 2ctf h GLN 55 N 0.35 0.16 -2.87 1.69 5.75 -0.20 -3.38 115.11 116.61 2ctf h GLN 55 Ca 0.19 -0.14 -0.61 0.00 -0.15 0.00 0.00 58.65 57.94 2ctf h GLN 55 Cb 0.16 0.03 -0.40 0.00 1.07 0.00 0.00 27.48 28.34 2ctf h GLN 55 CO -0.18 0.81 -0.72 -1.64 -2.65 0.00 0.00 178.83 174.45 2ctf s MET 56 N -3.50 1.75 0.15 1.69 -1.94 0.57 -4.95 119.30 113.08 2ctf s MET 56 Ca -0.03 -2.68 -0.10 0.00 -1.71 0.00 0.00 55.69 51.17 2ctf s MET 56 Cb 0.11 -2.62 -0.01 0.00 2.01 0.00 0.00 34.83 34.32 2ctf s MET 56 CO 0.80 -1.28 1.49 -1.00 -0.01 0.00 0.00 175.02 175.02 2ctf h PRO 57 N 5.79 0.90 -0.65 2.03 0.13 -1.37 -3.09 132.00 135.74 2ctf h PRO 57 Ca 0.14 -0.47 0.05 0.00 -0.87 0.00 0.00 66.00 64.85 2ctf h PRO 57 Cb 0.84 0.02 -0.04 0.00 0.13 0.00 0.00 31.00 31.95 2ctf h PRO 57 CO 0.57 1.12 0.43 0.87 -0.23 0.00 0.00 178.00 180.76 2ctf h LYS 58 N 0.73 0.66 -6.15 0.86 1.79 -1.92 -3.40 116.57 109.14 2ctf h LYS 58 Ca 0.06 -0.04 -0.57 0.00 -2.18 0.00 0.00 60.65 57.92 2ctf h LYS 58 Cb 0.97 -0.15 -0.05 0.00 -1.58 0.00 0.00 32.23 31.43 2ctf h LYS 58 CO 0.09 0.43 0.71 0.08 -1.08 0.00 0.00 179.45 179.69 2ctf s VAL 59 N -5.60 4.71 -0.31 0.50 1.01 -1.17 -4.54 120.40 115.00 2ctf s VAL 59 Ca -0.09 2.03 -0.13 0.00 0.00 0.00 0.00 61.98 63.79 2ctf s VAL 59 Cb 0.19 -4.31 -0.03 0.00 0.00 0.00 0.00 36.38 32.23 2ctf s VAL 59 CO 0.76 -0.10 0.26 -1.00 0.00 0.00 0.00 175.10 175.02 2ctf s HIS 60 N 2.72 3.22 -0.00 5.22 3.76 -0.60 -4.89 115.29 124.71 2ctf s HIS 60 Ca 0.46 0.00 -0.19 0.00 -0.15 0.00 0.00 55.06 55.18 2ctf s HIS 60 Cb -0.16 -2.50 -0.06 0.00 1.11 0.00 0.00 32.58 30.97 2ctf s HIS 60 CO 0.11 -0.30 0.55 0.42 -0.85 0.00 0.00 174.74 174.67 2ctf s ILE 61 N 1.83 4.93 0.02 0.60 1.01 -1.26 -2.83 121.20 125.51 2ctf s ILE 61 Ca 0.09 1.14 0.01 0.00 0.00 0.00 0.00 60.65 61.88 2ctf s ILE 61 Cb -0.17 -3.88 -0.02 0.00 0.01 0.00 0.00 42.46 38.41 2ctf s ILE 61 CO 0.11 0.46 -0.05 -0.70 0.00 0.00 0.00 174.94 174.76 2ctf s GLU 62 N -0.41 0.36 -0.06 2.79 2.56 -1.08 -5.02 118.70 117.85 2ctf s GLU 62 Ca 0.29 -0.52 0.06 0.00 0.00 0.00 0.00 54.97 54.80 2ctf s GLU 62 Cb -0.18 -0.12 -0.01 0.00 2.00 0.00 0.00 34.13 35.82 2ctf s GLU 62 CO 0.16 0.02 -0.25 -0.06 -0.56 0.00 0.00 175.26 174.57 2ctf s PHE 63 N -1.05 2.44 0.06 5.30 0.08 -1.26 -2.80 117.98 120.75 2ctf s PHE 63 Ca -0.09 -0.73 0.06 0.00 0.12 0.00 0.00 56.93 56.29 2ctf s PHE 63 Cb -0.08 -1.60 -0.04 0.00 -0.57 0.00 0.00 43.02 40.74 2ctf s PHE 63 CO -0.00 -0.22 -0.10 0.95 -0.10 0.00 0.00 175.22 175.75 2ctf s THR 64 N -0.16 3.37 -0.19 0.64 -4.23 -1.19 -5.03 115.64 108.85 2ctf s THR 64 Ca -0.04 -1.07 -0.22 0.00 -1.18 0.00 0.00 61.69 59.18 2ctf s THR 64 Cb -0.14 -2.51 -0.19 0.00 1.34 0.00 0.00 72.50 71.00 2ctf s THR 64 CO 0.04 0.25 0.31 -0.08 -0.54 0.00 0.00 174.62 174.60 2ctf h GLU 65 N 4.10 0.00 0.00 3.99 4.57 -1.99 -3.35 114.58 121.91 2ctf h GLU 65 Ca -0.48 0.00 -0.01 0.00 -1.18 0.00 0.00 59.36 57.69 2ctf h GLU 65 Cb 1.16 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 29.75 2ctf h GLU 65 CO 0.52 0.90 -0.24 0.78 -1.18 0.00 0.00 179.01 179.80 2ctf h GLY 66 N -1.00 0.00 -0.88 1.92 0.00 -1.99 -3.35 103.07 97.77 2ctf h GLY 66 Ca -0.24 0.00 0.40 0.00 0.00 0.00 0.00 47.33 47.49 2ctf h GLY 66 CO -0.14 0.00 0.80 0.83 0.00 0.00 0.00 176.54 178.02 2ctf h GLU 67 N -1.00 0.15 -5.23 4.80 5.08 -2.00 -3.45 114.58 112.92 2ctf h GLU 67 Ca -0.02 -0.01 -0.30 0.00 -1.00 0.00 0.00 59.36 58.04 2ctf h GLU 67 Cb 0.30 -0.03 0.15 0.00 0.50 0.00 0.00 28.75 29.66 2ctf h GLU 67 CO -0.01 0.10 -0.68 -0.25 -1.00 0.00 0.00 179.01 177.17 2ctf n ASP 68 N -4.70 -2.26 -3.53 1.42 8.00 -1.25 -5.02 116.55 109.19 2ctf n ASP 68 Ca 0.35 -0.54 -0.11 0.00 0.71 0.00 0.00 54.79 55.19 2ctf n ASP 68 Cb 1.30 -4.59 -0.03 0.00 -0.02 0.00 0.00 41.12 37.77 2ctf n ASP 68 CO 0.00 0.00 0.00 -1.59 -0.39 0.00 0.00 177.20 175.22 2ctf s LYS 69 N -5.26 1.18 -0.32 -1.24 -2.85 -1.21 -3.48 119.74 106.57 2ctf s LYS 69 Ca 0.03 -0.60 -0.10 0.00 -1.00 0.00 0.00 55.97 54.30 2ctf s LYS 69 Cb -0.01 0.53 -0.01 0.00 -2.06 0.00 0.00 37.83 36.28 2ctf s LYS 69 CO 0.65 -0.49 0.17 0.42 0.10 0.00 0.00 175.35 176.19 2ctf s ILE 70 N -3.78 4.69 -0.20 3.79 1.01 -0.46 -3.18 121.20 123.08 2ctf s ILE 70 Ca 0.02 -0.42 -0.24 0.00 0.00 0.00 0.00 60.65 60.01 2ctf s ILE 70 Cb 0.00 -3.41 -0.01 0.00 0.01 0.00 0.00 42.46 39.05 2ctf s ILE 70 CO -0.12 0.04 0.80 -0.89 0.00 0.00 0.00 174.94 174.77 2ctf s THR 71 N 1.62 4.89 -0.11 2.92 2.01 -1.12 0.14 115.64 125.99 2ctf s THR 71 Ca 0.05 1.54 -0.01 0.00 0.31 0.00 0.00 61.69 63.58 2ctf s THR 71 Cb -0.17 -4.10 -0.03 0.00 0.01 0.00 0.00 72.50 68.21 2ctf s THR 71 CO 0.07 0.01 -0.06 -0.76 -0.69 0.00 0.00 174.62 173.19 2ctf s LEU 72 N 2.33 3.18 -0.13 4.42 2.01 0.12 -2.62 118.68 127.98 2ctf s LEU 72 Ca 0.36 -0.09 0.01 0.00 0.01 0.00 0.00 54.13 54.42 2ctf s LEU 72 Cb -0.16 -1.73 0.02 0.00 0.01 0.00 0.00 46.19 44.33 2ctf s LEU 72 CO 0.10 0.27 -0.15 -0.70 1.01 0.00 0.00 176.35 176.88 2ctf s GLU 73 N -0.23 2.26 0.00 1.70 2.12 -1.13 -1.92 118.70 121.51 2ctf s GLU 73 Ca 0.03 -0.56 0.00 0.00 0.36 0.00 0.00 54.97 54.80 2ctf s GLU 73 Cb -0.13 -1.99 0.00 0.00 0.26 0.00 0.00 34.13 32.27 2ctf s GLU 73 CO 0.03 -0.14 0.00 0.41 -0.54 0.00 0.00 175.26 175.02 2ctf n GLY 74 N 4.45 -1.57 3.74 -1.50 0.00 -0.63 -1.56 105.19 108.11 2ctf n GLY 74 Ca -0.18 -1.39 -0.41 0.00 0.00 0.00 0.00 46.02 44.03 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 -1.92 4.39 0.55 1.61 0.04 -1.26 -1.88 135.00 136.54 2ctf s PRO 75 Ca 0.00 2.05 0.44 0.00 0.04 0.00 0.00 61.00 63.53 2ctf s PRO 75 Cb 0.00 -3.20 1.66 0.00 0.04 0.00 0.00 34.50 33.00 2ctf s PRO 75 CO 0.00 -0.24 1.67 0.00 0.04 0.00 0.00 177.00 178.47 2ctf h THR 76 N 3.74 0.18 0.64 1.26 1.03 -1.85 0.23 112.91 118.15 2ctf h THR 76 Ca -0.45 0.00 -0.03 0.00 -0.01 0.00 0.00 66.41 65.92 2ctf h THR 76 Cb 1.21 0.18 0.01 0.00 -1.07 0.00 0.00 68.15 68.48 2ctf h THR 76 CO 0.77 0.00 -0.31 -0.08 -0.01 0.00 0.00 175.52 175.89 2ctf h GLU 77 N 0.00 -0.83 -0.02 0.00 4.81 -1.98 -1.74 114.58 114.82 2ctf h GLU 77 Ca 0.77 0.06 -0.05 0.00 -0.13 0.00 0.00 59.36 60.01 2ctf h GLU 77 Cb 3.12 0.19 0.00 0.00 0.63 0.00 0.00 28.75 32.69 2ctf h GLU 77 CO -0.01 -0.54 -0.17 -0.44 -0.73 0.00 0.00 179.01 177.12 2ctf h ASP 78 N -0.92 0.19 -0.97 1.04 5.19 -1.10 -3.21 116.42 116.63 2ctf h ASP 78 Ca -0.09 -0.70 0.27 0.00 -0.62 0.00 0.00 57.03 55.89 2ctf h ASP 78 Cb 0.68 -0.06 -0.14 0.00 0.18 0.00 0.00 39.33 40.00 2ctf h ASP 78 CO 0.15 0.86 0.52 0.58 -3.12 0.00 0.00 179.24 178.22 2ctf h VAL 79 N -0.47 0.41 -0.51 -1.35 2.07 -0.77 0.34 116.25 115.97 2ctf h VAL 79 Ca -0.02 -0.14 -0.04 0.00 0.82 0.00 0.00 66.70 67.33 2ctf h VAL 79 Cb 0.87 -0.04 -0.02 0.00 -1.52 0.00 0.00 31.29 30.58 2ctf h VAL 79 CO 0.04 0.08 0.17 -1.28 0.02 0.00 0.00 177.57 176.60 2ctf h SER 80 N 0.41 0.74 -0.13 0.57 0.87 -1.35 0.27 113.55 114.92 2ctf h SER 80 Ca 0.66 -0.19 -0.04 0.00 -1.23 0.00 0.00 61.79 60.99 2ctf h SER 80 Cb 1.37 -0.19 -0.00 0.00 -0.44 0.00 0.00 62.40 63.13 2ctf h SER 80 CO -0.56 0.73 -0.06 0.58 -0.53 0.00 0.00 176.83 177.00 2ctf h VAL 81 N 0.70 1.31 0.64 2.23 2.07 -0.50 -1.73 116.25 120.97 2ctf h VAL 81 Ca 0.17 -1.07 -0.03 0.00 0.82 0.00 0.00 66.70 66.59 2ctf h VAL 81 Cb 0.25 1.74 0.01 0.00 -1.52 0.00 0.00 31.29 31.77 2ctf h VAL 81 CO -0.01 0.31 -0.31 0.00 0.02 0.00 0.00 177.57 177.58 2ctf h ALA 82 N 0.67 -0.86 -0.68 1.67 0.00 -0.60 -1.86 119.26 117.60 2ctf h ALA 82 Ca 0.03 -0.21 0.14 0.00 0.00 0.00 0.00 54.91 54.87 2ctf h ALA 82 Cb 0.51 0.33 -0.10 0.00 0.00 0.00 0.00 17.79 18.53 2ctf h ALA 82 CO 0.02 -0.86 0.16 -0.56 0.00 0.00 0.00 179.25 178.00 2ctf h GLN 83 N -1.10 0.27 -0.46 0.00 3.07 -0.57 -0.65 115.11 115.68 2ctf h GLN 83 Ca -0.09 -0.02 0.02 0.00 0.09 0.00 0.00 58.65 58.66 2ctf h GLN 83 Cb 0.70 -0.06 -0.03 0.00 0.08 0.00 0.00 27.48 28.17 2ctf h GLN 83 CO 0.14 0.18 0.26 1.49 0.09 0.00 0.00 178.83 180.99 2ctf h GLU 84 N 0.27 0.51 -0.42 0.06 4.81 -1.29 0.81 114.58 119.33 2ctf h GLU 84 Ca 0.37 -0.03 0.07 0.00 -0.13 0.00 0.00 59.36 59.64 2ctf h GLU 84 Cb 0.60 -0.11 -0.06 0.00 0.63 0.00 0.00 28.75 29.80 2ctf h GLU 84 CO -0.46 0.34 0.06 1.96 -0.73 0.00 0.00 179.01 180.17 2ctf h GLN 85 N 0.52 0.17 -0.08 1.92 4.20 -0.27 -1.18 115.11 120.40 2ctf h GLN 85 Ca 0.19 -0.01 -0.11 0.00 0.06 0.00 0.00 58.65 58.77 2ctf h GLN 85 Cb 0.03 -0.04 -0.01 0.00 0.30 0.00 0.00 27.48 27.76 2ctf h GLN 85 CO -0.09 0.11 -0.45 0.82 -0.67 0.00 0.00 178.83 178.55 2ctf h ILE 86 N 0.18 1.33 0.00 2.54 2.04 -1.01 -2.71 117.51 119.88 2ctf h ILE 86 Ca 0.21 -1.60 -0.01 0.00 1.00 0.00 0.00 64.86 64.45 2ctf h ILE 86 Cb 0.27 1.77 -0.00 0.00 -0.74 0.00 0.00 36.82 38.12 2ctf h ILE 86 CO -0.30 0.47 -0.06 -0.33 0.00 0.00 0.00 178.15 177.93 2ctf h GLU 87 N 0.15 0.00 0.00 2.37 4.39 0.36 -0.27 114.58 121.59 2ctf h GLU 87 Ca 0.01 0.00 -0.06 0.00 0.34 0.00 0.00 59.36 59.65 2ctf h GLU 87 Cb 0.86 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.50 2ctf h GLU 87 CO 0.07 0.06 -0.36 0.78 -1.16 0.00 0.00 179.01 178.40 2ctf h GLY 88 N 0.35 0.00 2.00 -3.84 0.00 -1.09 -3.18 103.07 97.31 2ctf h GLY 88 Ca -0.00 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.30 2ctf h GLY 88 CO 0.01 0.00 -0.12 0.00 0.00 0.00 0.00 176.54 176.42 2ctf h MET 89 N -1.00 0.00 0.54 4.80 -0.00 -1.41 -1.79 114.93 116.08 2ctf h MET 89 Ca -0.09 0.00 -0.03 0.00 -0.00 0.00 0.00 59.70 59.58 2ctf h MET 89 Cb 0.95 0.00 0.01 0.00 -0.00 0.00 0.00 31.60 32.56 2ctf h MET 89 CO -0.06 0.12 -0.26 0.28 -0.00 0.00 0.00 176.91 177.00 2ctf h VAL 90 N 0.00 0.00 -0.34 -0.10 2.07 -1.17 -1.47 116.25 115.24 2ctf h VAL 90 Ca -0.00 -0.38 0.04 0.00 0.82 0.00 0.00 66.70 67.18 2ctf h VAL 90 Cb 0.27 0.00 -0.04 0.00 -1.52 0.00 0.00 31.29 30.00 2ctf h VAL 90 CO 0.02 0.00 0.09 0.50 0.02 0.00 0.00 177.57 178.20 2ctf h LYS 91 N -1.11 0.22 -0.73 1.57 3.64 -1.52 -1.11 116.57 117.53 2ctf h LYS 91 Ca -0.07 -0.01 0.07 0.00 -1.27 0.00 0.00 60.65 59.36 2ctf h LYS 91 Cb 0.56 -0.05 -0.06 0.00 -0.41 0.00 0.00 32.23 32.27 2ctf h LYS 91 CO 0.12 0.14 0.41 0.22 -2.27 0.00 0.00 179.45 178.08 2ctf h ASP 92 N 0.22 0.61 0.18 4.20 3.58 -1.41 0.43 116.42 124.23 2ctf h ASP 92 Ca 0.16 0.03 -0.06 0.00 0.42 0.00 0.00 57.03 57.58 2ctf h ASP 92 Cb 0.16 -0.09 -0.01 0.00 1.72 0.00 0.00 39.33 41.11 2ctf h ASP 92 CO -0.19 0.38 -0.23 -0.07 -2.88 0.00 0.00 179.24 176.26 2ctf h LEU 93 N 0.74 0.09 0.04 2.28 3.38 -0.59 -2.53 115.31 118.72 2ctf h LEU 93 Ca 0.33 -0.02 -0.25 0.00 0.09 0.00 0.00 57.88 58.03 2ctf h LEU 93 Cb 0.22 -0.02 -0.02 0.00 0.09 0.00 0.00 40.66 40.92 2ctf h LEU 93 CO -0.20 0.33 -1.23 0.40 0.09 0.00 0.00 178.44 177.83 2ctf h ILE 94 N 0.09 1.46 -0.58 1.22 2.04 0.08 -3.31 117.51 118.51 2ctf h ILE 94 Ca 0.02 -3.16 -0.06 0.00 1.00 0.00 0.00 64.86 62.65 2ctf h ILE 94 Cb 0.45 2.78 -0.03 0.00 -0.74 0.00 0.00 36.82 39.29 2ctf h ILE 94 CO 0.03 0.86 0.11 0.78 0.00 0.00 0.00 178.15 179.93 2ctf h ASN 95 N 0.02 0.86 -0.31 1.72 2.35 0.15 -3.16 115.58 117.21 2ctf h ASN 95 Ca -0.11 -0.18 0.05 0.00 -0.55 0.00 0.00 56.30 55.51 2ctf h ASN 95 Cb 1.88 -0.23 -0.08 0.00 0.05 0.00 0.00 38.32 39.94 2ctf h ASN 95 CO 0.14 0.86 -0.54 0.03 -1.65 0.00 0.00 177.43 176.28 2ctf h ARG 96 N 0.87 -0.44 -6.97 0.81 2.47 -1.55 -3.40 114.38 106.16 2ctf h ARG 96 Ca 0.18 0.03 -0.51 0.00 -1.26 0.00 0.00 59.98 58.42 2ctf h ARG 96 Cb 0.36 0.10 0.06 0.00 -1.65 0.00 0.00 29.97 28.84 2ctf h ARG 96 CO 0.01 -0.29 0.50 0.45 0.56 0.00 0.00 179.97 181.20 2ctf s SER 97 N -4.98 6.32 0.00 7.04 0.15 -1.20 -4.92 113.70 116.11 2ctf s SER 97 Ca -0.15 2.35 0.00 0.00 0.70 0.00 0.00 55.95 58.86 2ctf s SER 97 Cb 0.08 -2.61 0.00 0.00 -1.71 0.00 0.00 66.02 61.78 2ctf s SER 97 CO 0.62 -0.82 0.00 0.61 1.20 0.00 0.00 173.24 174.85 2ctf n GLY 98 N 0.54 0.83 0.00 9.45 0.00 -1.26 -4.98 105.19 109.78 2ctf n GLY 98 Ca 0.06 0.02 0.06 0.00 0.00 0.00 0.00 46.02 46.15 2ctf n GLY 98 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2ctf n PRO 99 N 0.00 0.49 -2.60 1.61 -0.04 -1.26 -4.61 135.00 128.59 2ctf n PRO 99 Ca 0.00 0.00 -0.41 0.00 -0.04 0.00 0.00 63.50 63.05 2ctf n PRO 99 Cb 0.00 -1.36 -0.03 0.00 -0.04 0.00 0.00 33.50 32.07 2ctf n PRO 99 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2ctf s SER 100 N -1.86 6.25 0.04 3.54 0.15 -1.26 -4.98 113.70 115.58 2ctf s SER 100 Ca 0.17 -0.77 0.04 0.00 0.70 0.00 0.00 55.95 56.09 2ctf s SER 100 Cb 0.08 -2.54 -0.02 0.00 -1.71 0.00 0.00 66.02 61.83 2ctf s SER 100 CO 0.13 -1.70 -0.13 -0.55 1.20 0.00 0.00 173.24 172.20 2ctf s SER 101 N 3.98 1.47 0.00 5.45 0.15 -1.26 -5.24 113.70 118.25 2ctf s SER 101 Ca 0.36 -0.48 0.00 0.00 0.70 0.00 0.00 55.95 56.52 2ctf s SER 101 Cb -0.07 -0.07 0.00 0.00 -1.71 0.00 0.00 66.02 64.17 2ctf s SER 101 CO 0.09 -0.03 0.00 0.61 1.20 0.00 0.00 173.24 175.11