#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 -0.42 -0.30 1.61 1.04 -1.26 -5.16 113.70 109.21 2ctf s SER 2 Ca 0.00 -0.14 -0.10 0.00 0.48 0.00 0.00 55.95 56.19 2ctf s SER 2 Cb 0.00 0.54 0.17 0.00 0.10 0.00 0.00 66.02 66.83 2ctf s SER 2 CO 0.00 -0.91 0.85 -0.55 0.98 0.00 0.00 173.24 173.61 2ctf s SER 3 N -2.72 -0.85 0.00 7.02 0.15 -1.26 -5.18 113.70 110.87 2ctf s SER 3 Ca 0.05 0.84 0.00 0.00 0.70 0.00 0.00 55.95 57.54 2ctf s SER 3 Cb -0.02 1.83 0.00 0.00 -1.71 0.00 0.00 66.02 66.13 2ctf s SER 3 CO -0.07 -0.16 0.00 0.61 1.20 0.00 0.00 173.24 174.82 2ctf n GLY 4 N 5.29 3.87 3.62 9.45 0.00 -1.26 -5.16 105.19 121.01 2ctf n GLY 4 Ca -0.07 -2.09 -0.00 0.00 0.00 0.00 0.00 46.02 43.86 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 -0.48 -0.34 0.35 1.61 0.15 -1.26 -5.19 113.70 108.55 2ctf s SER 5 Ca 0.00 0.54 -0.06 0.00 0.70 0.00 0.00 55.95 57.13 2ctf s SER 5 Cb 0.00 1.16 0.02 0.00 -1.71 0.00 0.00 66.02 65.49 2ctf s SER 5 CO 0.00 -0.09 0.56 -0.94 1.20 0.00 0.00 173.24 173.97 2ctf s SER 6 N 1.31 0.68 0.00 5.45 1.04 -1.26 -5.18 113.70 115.73 2ctf s SER 6 Ca -0.08 -1.39 0.00 0.00 0.48 0.00 0.00 55.95 54.96 2ctf s SER 6 Cb -0.03 0.71 0.00 0.00 0.10 0.00 0.00 66.02 66.80 2ctf s SER 6 CO -0.13 -1.40 0.00 0.61 0.98 0.00 0.00 173.24 173.30 2ctf n GLY 7 N -0.56 3.56 2.92 7.32 0.00 -1.26 -5.17 105.19 112.00 2ctf n GLY 7 Ca -0.01 -0.63 -0.11 0.00 0.00 0.00 0.00 46.02 45.27 2ctf n GLY 7 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2ctf s GLU 8 N -2.08 0.14 1.05 1.61 2.02 -1.26 -5.16 118.70 115.02 2ctf s GLU 8 Ca 0.00 -0.26 -0.14 0.00 0.02 0.00 0.00 54.97 54.60 2ctf s GLU 8 Cb 0.00 0.04 0.22 0.00 0.10 0.00 0.00 34.13 34.48 2ctf s GLU 8 CO 0.00 -0.02 1.10 -1.25 0.02 0.00 0.00 175.26 175.11 2ctf s PRO 9 N -0.61 -0.01 -0.29 0.39 0.04 -1.26 -5.09 135.00 128.18 2ctf s PRO 9 Ca -0.07 0.36 -0.19 0.00 0.04 0.00 0.00 61.00 61.15 2ctf s PRO 9 Cb -0.04 -1.70 0.18 0.00 0.04 0.00 0.00 34.50 32.98 2ctf s PRO 9 CO -0.00 -2.99 1.20 -1.83 0.04 0.00 0.00 177.00 173.41 2ctf s GLU 10 N -5.06 0.19 -0.19 4.56 1.03 -1.26 -5.15 118.70 112.82 2ctf s GLU 10 Ca 0.67 0.29 -0.04 0.00 0.03 0.00 0.00 54.97 55.91 2ctf s GLU 10 Cb -0.17 0.06 0.08 0.00 -0.80 0.00 0.00 34.13 33.30 2ctf s GLU 10 CO 0.57 -0.03 0.18 0.21 -1.33 0.00 0.00 175.26 174.86 2ctf s LYS 11 N 0.80 0.15 -0.22 -4.83 2.36 -1.26 -5.13 119.74 111.61 2ctf s LYS 11 Ca -0.04 0.10 -0.07 0.00 -2.55 0.00 0.00 55.97 53.41 2ctf s LYS 11 Cb -0.04 -1.41 -0.03 0.00 -1.05 0.00 0.00 37.83 35.31 2ctf s LYS 11 CO -0.12 -0.67 0.06 -0.51 1.55 0.00 0.00 175.35 175.66 2ctf s LEU 12 N 2.26 3.49 -0.96 5.43 1.02 -1.26 -5.04 118.68 123.63 2ctf s LEU 12 Ca 0.05 -0.14 -0.03 0.00 0.02 0.00 0.00 54.13 54.04 2ctf s LEU 12 Cb -0.16 -1.91 0.26 0.00 0.02 0.00 0.00 46.19 44.40 2ctf s LEU 12 CO -0.12 0.03 1.02 0.61 0.02 0.00 0.00 176.35 177.92 2ctf n GLY 13 N 4.47 4.48 2.74 -3.19 0.00 -1.26 -4.93 105.19 107.50 2ctf n GLY 13 Ca -0.16 -2.63 -0.28 0.00 0.00 0.00 0.00 46.02 42.94 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 -1.84 1.85 -0.09 1.61 -0.21 -1.26 -5.07 119.66 114.64 2ctf s GLN 14 Ca 0.31 -2.79 0.02 0.00 0.02 0.00 0.00 55.36 52.91 2ctf s GLN 14 Cb -0.02 -2.72 0.02 0.00 1.00 0.00 0.00 33.01 31.29 2ctf s GLN 14 CO -0.05 -1.29 -0.12 0.00 -2.12 0.00 0.00 175.29 171.71 2ctf s ALA 15 N -0.74 1.44 -0.01 6.09 0.00 -1.26 -5.13 121.76 122.14 2ctf s ALA 15 Ca 0.26 -0.56 0.02 0.00 0.00 0.00 0.00 51.96 51.68 2ctf s ALA 15 Cb -0.06 -0.74 -0.00 0.00 0.00 0.00 0.00 23.12 22.32 2ctf s ALA 15 CO -0.14 -0.07 -0.08 -0.48 0.00 0.00 0.00 175.76 174.99 2ctf s LEU 16 N 1.00 1.89 0.18 0.00 0.05 -1.26 -5.15 118.68 115.38 2ctf s LEU 16 Ca -0.08 -0.16 0.08 0.00 0.05 0.00 0.00 54.13 54.03 2ctf s LEU 16 Cb -0.15 -0.46 -0.04 0.00 -2.05 0.00 0.00 46.19 43.49 2ctf s LEU 16 CO -0.01 0.08 -0.05 0.42 -0.55 0.00 0.00 176.35 176.24 2ctf s THR 17 N 0.01 3.42 -0.61 5.48 -4.23 -1.26 -5.06 115.64 113.39 2ctf s THR 17 Ca 0.00 -1.57 0.04 0.00 -1.18 0.00 0.00 61.69 58.98 2ctf s THR 17 Cb -0.06 -2.71 0.35 0.00 1.34 0.00 0.00 72.50 71.43 2ctf s THR 17 CO -0.00 -0.12 1.11 -1.84 -0.54 0.00 0.00 174.62 173.23 2ctf n GLU 18 N -0.06 3.51 -0.19 3.99 0.00 -1.26 -4.79 120.64 121.85 2ctf n GLU 18 Ca -0.10 -4.74 0.04 0.00 0.00 0.00 0.00 57.16 52.36 2ctf n GLU 18 Cb 0.55 -2.27 0.13 0.00 0.00 0.00 0.00 31.44 29.85 2ctf n GLU 18 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.13 177.41 2ctf n VAL 19 N -0.28 0.53 -0.65 3.84 0.31 -1.26 -3.94 118.33 116.89 2ctf n VAL 19 Ca 0.35 -0.40 -0.10 0.00 -0.01 0.00 0.00 64.34 64.18 2ctf n VAL 19 Cb 0.42 0.01 0.20 0.00 -0.91 0.00 0.00 33.84 33.57 2ctf n VAL 19 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2ctf n TYR 20 N 0.27 2.13 -4.64 3.52 9.36 -1.26 -4.91 117.16 121.63 2ctf n TYR 20 Ca 0.09 -1.20 -0.32 0.00 3.32 0.00 0.00 57.90 59.79 2ctf n TYR 20 Cb 0.33 -0.66 -0.12 0.00 -0.63 0.00 0.00 39.34 38.25 2ctf n TYR 20 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 2ctf s ALA 21 N -2.50 2.75 -0.04 2.98 0.00 -1.25 -5.13 121.76 118.57 2ctf s ALA 21 Ca 0.44 -1.09 0.01 0.00 0.00 0.00 0.00 51.96 51.32 2ctf s ALA 21 Cb 0.36 -0.92 0.02 0.00 0.00 0.00 0.00 23.12 22.58 2ctf s ALA 21 CO 0.10 0.58 -0.05 -1.59 0.00 0.00 0.00 175.76 174.80 2ctf s LYS 22 N -1.28 0.87 -0.23 0.00 0.00 -1.26 -5.13 119.74 112.71 2ctf s LYS 22 Ca 0.15 -0.14 -0.11 0.00 0.00 0.00 0.00 55.97 55.86 2ctf s LYS 22 Cb -0.11 -0.85 0.08 0.00 0.00 0.00 0.00 37.83 36.95 2ctf s LYS 22 CO 0.05 -0.05 0.54 0.00 0.00 0.00 0.00 175.35 175.89 2ctf s ALA 23 N 0.79 -1.46 -0.30 0.59 0.00 -1.26 -5.14 121.76 114.98 2ctf s ALA 23 Ca -0.11 1.94 -0.07 0.00 0.00 0.00 0.00 51.96 53.71 2ctf s ALA 23 Cb -0.14 -1.25 0.18 0.00 0.00 0.00 0.00 23.12 21.91 2ctf s ALA 23 CO 0.01 -0.43 0.80 1.21 0.00 0.00 0.00 175.76 177.34 2ctf s ASN 24 N 1.79 -0.96 -0.02 0.00 3.04 -1.26 -4.79 114.94 112.73 2ctf s ASN 24 Ca -0.08 0.73 -0.30 0.00 0.04 0.00 0.00 52.86 53.24 2ctf s ASN 24 Cb -0.08 1.86 0.11 0.00 -1.54 0.00 0.00 41.25 41.60 2ctf s ASN 24 CO -0.16 -0.18 1.19 -0.44 -3.04 0.00 0.00 177.10 174.47 2ctf s SER 25 N 2.85 -0.11 -0.29 -4.21 0.01 -1.26 -5.05 113.70 105.64 2ctf s SER 25 Ca 0.09 -0.14 -0.38 0.00 1.31 0.00 0.00 55.95 56.82 2ctf s SER 25 Cb -0.12 0.23 -0.14 0.00 0.21 0.00 0.00 66.02 66.19 2ctf s SER 25 CO -0.17 -0.41 1.92 0.33 0.41 0.00 0.00 173.24 175.33 2ctf n PHE 26 N -0.39 1.91 -4.20 2.43 7.35 -1.26 -3.65 117.46 119.65 2ctf n PHE 26 Ca -0.06 0.40 -0.25 0.00 -0.76 0.00 0.00 57.45 56.78 2ctf n PHE 26 Cb 0.61 -2.50 -0.17 0.00 0.35 0.00 0.00 39.48 37.78 2ctf n PHE 26 CO 0.00 0.00 0.00 0.99 -0.76 0.00 0.00 176.76 176.99 2ctf s THR 27 N 4.91 0.99 -0.23 -2.13 2.01 0.17 -4.93 115.64 116.45 2ctf s THR 27 Ca 1.02 -0.33 0.02 0.00 0.31 0.00 0.00 61.69 62.71 2ctf s THR 27 Cb -0.99 -0.97 0.05 0.00 0.01 0.00 0.00 72.50 70.60 2ctf s THR 27 CO 0.59 0.34 -0.10 -0.69 -0.69 0.00 0.00 174.62 174.07 2ctf s VAL 28 N 1.22 1.82 0.25 3.82 1.01 -1.26 -0.94 120.40 126.32 2ctf s VAL 28 Ca -0.04 -1.26 0.07 0.00 0.00 0.00 0.00 61.98 60.74 2ctf s VAL 28 Cb -0.14 -1.93 -0.05 0.00 0.00 0.00 0.00 36.38 34.26 2ctf s VAL 28 CO -0.03 0.07 -0.08 -0.44 0.00 0.00 0.00 175.10 174.62 2ctf s SER 29 N 1.29 2.61 0.19 3.32 0.01 -1.07 -4.96 113.70 115.09 2ctf s SER 29 Ca -0.04 -1.14 0.09 0.00 1.31 0.00 0.00 55.95 56.17 2ctf s SER 29 Cb -0.18 -0.14 -0.04 0.00 0.21 0.00 0.00 66.02 65.87 2ctf s SER 29 CO -0.07 -0.31 -0.10 -0.94 0.41 0.00 0.00 173.24 172.24 2ctf s SER 30 N -3.39 4.22 -0.19 2.44 1.04 -1.26 -0.25 113.70 116.31 2ctf s SER 30 Ca 0.27 -0.61 0.01 0.00 0.48 0.00 0.00 55.95 56.10 2ctf s SER 30 Cb 0.03 -0.70 0.04 0.00 0.10 0.00 0.00 66.02 65.48 2ctf s SER 30 CO 0.10 0.09 -0.13 -0.69 0.98 0.00 0.00 173.24 173.59 2ctf s VAL 31 N -1.78 1.75 -0.51 5.02 1.01 0.13 -4.96 120.40 121.07 2ctf s VAL 31 Ca 0.25 -0.98 -0.27 0.00 0.00 0.00 0.00 61.98 60.98 2ctf s VAL 31 Cb -0.08 -1.75 -0.08 0.00 0.00 0.00 0.00 36.38 34.46 2ctf s VAL 31 CO 0.15 0.27 2.42 0.00 0.00 0.00 0.00 175.10 177.95 2ctf n ALA 32 N 4.67 0.84 -2.91 5.51 0.00 -1.26 -2.03 120.51 125.32 2ctf n ALA 32 Ca -0.16 -0.80 -0.11 0.00 0.00 0.00 0.00 53.44 52.37 2ctf n ALA 32 Cb 0.47 -3.08 -0.13 0.00 0.00 0.00 0.00 19.45 16.71 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 11.47 0.00 1.07 0.00 0.00 -1.25 -4.99 121.76 128.07 2ctf s ALA 33 Ca 1.02 -0.14 -0.15 0.00 0.00 0.00 0.00 51.96 52.70 2ctf s ALA 33 Cb -0.31 0.03 0.23 0.00 0.00 0.00 0.00 23.12 23.07 2ctf s ALA 33 CO 0.30 -0.05 1.10 -1.25 0.00 0.00 0.00 175.76 175.85 2ctf s PRO 34 N -0.42 -0.18 -0.00 0.00 0.04 -1.26 -3.25 135.00 129.92 2ctf s PRO 34 Ca -0.05 0.31 0.01 0.00 0.04 0.00 0.00 61.00 61.31 2ctf s PRO 34 Cb -0.03 -1.68 -0.01 0.00 0.04 0.00 0.00 34.50 32.81 2ctf s PRO 34 CO -0.00 -3.10 0.03 -1.13 0.04 0.00 0.00 177.00 172.84 2ctf n SER 35 N -4.40 2.14 0.28 6.66 3.41 -1.26 -4.60 113.62 115.85 2ctf n SER 35 Ca 0.07 -0.29 0.18 0.00 -0.26 0.00 0.00 58.87 58.57 2ctf n SER 35 Cb 0.58 1.02 0.77 0.00 -0.26 0.00 0.00 64.21 66.32 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 -0.40 7.33 5.08 -1.99 -2.24 115.95 123.72 2ctf h TRP 36 Ca 0.00 0.00 -0.09 0.00 1.08 0.00 0.00 58.89 59.88 2ctf h TRP 36 Cb 0.03 0.00 -0.05 0.00 -3.00 0.00 0.00 29.16 26.14 2ctf h TRP 36 CO 0.00 0.00 0.05 1.47 -1.28 0.00 0.00 178.44 178.68 2ctf n LEU 37 N -3.01 4.53 -0.22 0.11 -0.00 -1.26 -4.63 117.00 112.52 2ctf n LEU 37 Ca -0.00 -3.21 -0.06 0.00 -0.00 0.00 0.00 56.01 52.74 2ctf n LEU 37 Cb 0.25 -0.62 0.04 0.00 -0.00 0.00 0.00 43.42 43.10 2ctf n LEU 37 CO 0.25 0.82 1.14 0.45 -0.00 0.00 0.00 177.39 180.05 2ctf h HIS 38 N 1.94 0.79 0.00 1.47 3.86 -1.67 0.28 115.15 121.82 2ctf h HIS 38 Ca 0.11 0.02 0.00 0.00 -1.16 0.00 0.00 60.37 59.33 2ctf h HIS 38 Cb 1.72 -0.27 0.00 0.00 1.06 0.00 0.00 27.41 29.92 2ctf h HIS 38 CO 0.81 0.50 0.00 0.07 0.86 0.00 0.00 177.93 180.17 2ctf h ARG 39 N 0.85 0.00 0.00 2.45 0.11 -1.83 0.58 114.38 116.54 2ctf h ARG 39 Ca 0.23 0.00 -0.33 0.00 0.10 0.00 0.00 59.98 59.99 2ctf h ARG 39 Cb -0.09 0.00 -0.06 0.00 1.11 0.00 0.00 29.97 30.93 2ctf h ARG 39 CO -0.05 0.00 -2.24 1.19 0.10 0.00 0.00 179.97 178.97 2ctf n PHE 40 N -2.32 0.00 -0.04 4.08 3.72 -0.28 -3.59 117.46 119.03 2ctf n PHE 40 Ca -0.01 0.00 -0.09 0.00 -0.05 0.00 0.00 57.45 57.29 2ctf n PHE 40 Cb 0.05 -0.85 0.06 0.00 -0.94 0.00 0.00 39.48 37.79 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 1.30 0.03 4.37 2.10 0.13 -3.28 117.51 122.15 2ctf h ILE 41 Ca -0.49 -1.62 -0.05 0.00 1.08 0.00 0.00 64.86 63.78 2ctf h ILE 41 Cb 1.86 1.56 0.01 0.00 -1.09 0.00 0.00 36.82 39.15 2ctf h ILE 41 CO -0.05 0.52 -0.20 0.40 -1.08 0.00 0.00 178.15 177.75 2ctf h ILE 42 N 0.54 1.68 0.00 2.19 2.04 -1.13 -3.40 117.51 119.42 2ctf h ILE 42 Ca 0.04 -2.25 0.00 0.00 1.00 0.00 0.00 64.86 63.65 2ctf h ILE 42 Cb 0.97 3.18 0.00 0.00 -0.74 0.00 0.00 36.82 40.24 2ctf h ILE 42 CO 0.09 0.60 0.00 0.61 0.00 0.00 0.00 178.15 179.45 2ctf n GLY 43 N 1.45 2.97 0.26 5.37 0.00 -1.24 -3.07 105.19 110.92 2ctf n GLY 43 Ca -0.11 -1.65 -0.02 0.00 0.00 0.00 0.00 46.02 44.25 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 -1.14 1.61 6.56 -1.90 -2.60 116.57 119.06 2ctf h LYS 44 Ca 0.00 0.00 -0.54 0.00 -1.06 0.00 0.00 60.65 59.05 2ctf h LYS 44 Cb 0.00 0.01 -0.42 0.00 -0.57 0.00 0.00 32.23 31.25 2ctf h LYS 44 CO 0.00 -0.03 -0.81 0.36 -2.06 0.00 0.00 179.45 176.91 2ctf n LYS 45 N -5.43 3.28 -3.24 3.15 2.85 -1.26 -5.00 118.16 112.50 2ctf n LYS 45 Ca 0.06 -4.25 -0.24 0.00 -1.05 0.00 0.00 58.31 52.84 2ctf n LYS 45 Cb 0.33 -2.17 0.02 0.00 -0.65 0.00 0.00 35.03 32.57 2ctf n LYS 45 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 2ctf n GLY 46 N -0.55 -0.53 0.71 2.58 0.00 -0.98 -4.97 105.19 101.45 2ctf n GLY 46 Ca 0.37 1.01 0.00 0.00 0.00 0.00 0.00 46.02 47.40 2ctf n GLY 46 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2ctf n GLN 47 N 0.03 0.00 0.02 1.61 6.02 -1.18 -4.42 117.38 119.47 2ctf n GLN 47 Ca -0.02 0.00 -0.10 0.00 -0.01 0.00 0.00 57.00 56.87 2ctf n GLN 47 Cb 0.56 -0.63 -0.05 0.00 1.02 0.00 0.00 30.24 31.14 2ctf n GLN 47 CO 0.00 0.00 0.00 -0.91 -1.01 0.00 0.00 177.06 175.14 2ctf h ASN 48 N 0.00 -0.24 0.44 1.08 2.35 -1.82 -0.36 115.58 117.04 2ctf h ASN 48 Ca 0.00 0.04 -0.02 0.00 -0.55 0.00 0.00 56.30 55.77 2ctf h ASN 48 Cb 0.94 0.11 0.00 0.00 0.05 0.00 0.00 38.32 39.42 2ctf h ASN 48 CO 0.00 -0.11 -0.21 -0.07 -1.65 0.00 0.00 177.43 175.39 2ctf h LEU 49 N -0.11 -0.50 -0.72 1.61 3.38 -1.78 -2.41 115.31 114.78 2ctf h LEU 49 Ca 0.05 -0.10 0.14 0.00 0.09 0.00 0.00 57.88 58.07 2ctf h LEU 49 Cb 0.18 0.13 -0.14 0.00 0.09 0.00 0.00 40.66 40.93 2ctf h LEU 49 CO -0.12 -0.16 -0.19 0.00 0.09 0.00 0.00 178.44 178.06 2ctf h ALA 50 N -0.52 0.44 0.70 1.53 0.00 -1.76 0.31 119.26 119.96 2ctf h ALA 50 Ca -0.06 0.27 -0.03 0.00 0.00 0.00 0.00 54.91 55.09 2ctf h ALA 50 Cb 0.57 0.57 -0.01 0.00 0.00 0.00 0.00 17.79 18.92 2ctf h ALA 50 CO 0.10 -0.43 -0.50 0.87 0.00 0.00 0.00 179.25 179.29 2ctf h LYS 51 N -0.01 -1.10 0.24 0.00 1.57 -1.06 0.39 116.57 116.59 2ctf h LYS 51 Ca 0.34 0.08 0.00 0.00 -1.87 0.00 0.00 60.65 59.20 2ctf h LYS 51 Cb 0.53 0.25 -0.04 0.00 0.08 0.00 0.00 32.23 33.05 2ctf h LYS 51 CO -0.74 -0.73 -0.52 0.82 -0.57 0.00 0.00 179.45 177.71 2ctf h ILE 52 N -1.14 0.02 -0.97 1.86 2.04 -0.81 -1.83 117.51 116.68 2ctf h ILE 52 Ca -0.09 0.00 0.14 0.00 1.00 0.00 0.00 64.86 65.91 2ctf h ILE 52 Cb 0.94 0.02 -0.09 0.00 -0.74 0.00 0.00 36.82 36.94 2ctf h ILE 52 CO 0.05 0.00 0.58 0.71 0.00 0.00 0.00 178.15 179.49 2ctf h THR 53 N -0.83 0.82 -0.44 -0.27 1.35 -0.41 0.22 112.91 113.35 2ctf h THR 53 Ca -0.02 -0.29 0.07 0.00 -0.55 0.00 0.00 66.41 65.62 2ctf h THR 53 Cb 0.80 -0.10 -0.06 0.00 -1.73 0.00 0.00 68.15 67.05 2ctf h THR 53 CO -0.21 0.16 0.09 -0.61 -0.25 0.00 0.00 175.52 174.69 2ctf h GLN 54 N 0.85 0.21 0.00 4.72 4.15 0.56 0.63 115.11 126.24 2ctf h GLN 54 Ca 0.51 -0.01 -0.18 0.00 0.77 0.00 0.00 58.65 59.74 2ctf h GLN 54 Cb 0.64 -0.05 -0.02 0.00 0.21 0.00 0.00 27.48 28.26 2ctf h GLN 54 CO -0.32 0.14 -0.83 0.37 -1.93 0.00 0.00 178.83 176.26 2ctf h GLN 55 N 0.22 0.10 -2.77 1.69 5.75 -0.49 -3.38 115.11 116.23 2ctf h GLN 55 Ca 0.21 -0.11 -0.61 0.00 -0.15 0.00 0.00 58.65 58.00 2ctf h GLN 55 Cb 0.27 0.03 -0.40 0.00 1.07 0.00 0.00 27.48 28.45 2ctf h GLN 55 CO -0.28 0.87 -0.74 -1.33 -2.65 0.00 0.00 178.83 174.70 2ctf n MET 56 N -3.63 1.18 0.02 1.69 2.81 0.67 -4.94 117.12 114.92 2ctf n MET 56 Ca -0.02 -3.96 -0.06 0.00 -1.81 0.00 0.00 57.70 51.85 2ctf n MET 56 Cb 0.78 -2.03 0.13 0.00 -0.71 0.00 0.00 33.22 31.39 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 5.45 0.46 -0.92 0.03 0.13 -1.09 -3.09 132.00 132.97 2ctf h PRO 57 Ca 0.20 -0.24 0.10 0.00 -0.87 0.00 0.00 66.00 65.19 2ctf h PRO 57 Cb 0.81 0.01 -0.07 0.00 0.13 0.00 0.00 31.00 31.89 2ctf h PRO 57 CO 0.58 0.82 0.59 0.87 -0.23 0.00 0.00 178.00 180.62 2ctf h LYS 58 N 0.38 0.87 -6.40 0.86 1.57 -1.92 -3.40 116.57 108.53 2ctf h LYS 58 Ca 0.03 -0.05 -0.54 0.00 -1.87 0.00 0.00 60.65 58.21 2ctf h LYS 58 Cb 0.93 -0.20 -0.01 0.00 0.08 0.00 0.00 32.23 33.02 2ctf h LYS 58 CO 0.08 0.58 0.52 0.08 -0.57 0.00 0.00 179.45 180.14 2ctf s VAL 59 N -5.83 4.45 -0.35 0.50 1.01 -1.17 -4.46 120.40 114.55 2ctf s VAL 59 Ca -0.11 1.76 -0.09 0.00 0.00 0.00 0.00 61.98 63.54 2ctf s VAL 59 Cb 0.21 -4.13 0.03 0.00 0.00 0.00 0.00 36.38 32.50 2ctf s VAL 59 CO 0.80 0.10 0.15 -2.28 0.00 0.00 0.00 175.10 173.86 2ctf s HIS 60 N 1.37 3.24 -0.08 5.22 2.46 -0.64 -4.89 115.29 121.96 2ctf s HIS 60 Ca 0.55 -1.16 -0.20 0.00 0.47 0.00 0.00 55.06 54.72 2ctf s HIS 60 Cb -0.24 -2.35 -0.04 0.00 -0.13 0.00 0.00 32.58 29.81 2ctf s HIS 60 CO 0.26 -0.67 0.56 0.42 -2.47 0.00 0.00 174.74 172.83 2ctf s ILE 61 N 1.48 5.09 0.07 0.89 1.01 -1.26 -2.65 121.20 125.84 2ctf s ILE 61 Ca 0.00 1.13 0.07 0.00 0.00 0.00 0.00 60.65 61.86 2ctf s ILE 61 Cb -0.19 -3.89 -0.03 0.00 0.01 0.00 0.00 42.46 38.36 2ctf s ILE 61 CO 0.05 0.33 -0.20 -0.70 0.00 0.00 0.00 174.94 174.42 2ctf s GLU 62 N 0.44 1.17 -0.13 2.79 2.12 -0.89 -4.99 118.70 119.21 2ctf s GLU 62 Ca 0.30 -1.03 0.01 0.00 0.36 0.00 0.00 54.97 54.61 2ctf s GLU 62 Cb -0.16 -1.34 0.02 0.00 0.26 0.00 0.00 34.13 32.90 2ctf s GLU 62 CO 0.14 0.32 -0.16 -0.06 -0.54 0.00 0.00 175.26 174.96 2ctf s PHE 63 N -1.01 2.22 0.04 5.30 0.08 -1.26 -3.08 117.98 120.27 2ctf s PHE 63 Ca 0.06 -1.14 -0.09 0.00 0.12 0.00 0.00 56.93 55.87 2ctf s PHE 63 Cb -0.09 -1.58 -0.05 0.00 -0.57 0.00 0.00 43.02 40.72 2ctf s PHE 63 CO 0.03 -0.58 0.36 0.95 -0.10 0.00 0.00 175.22 175.87 2ctf s THR 64 N 1.12 5.16 -1.50 0.64 -4.23 -1.22 -4.98 115.64 110.63 2ctf s THR 64 Ca -0.02 0.40 0.18 0.00 -1.18 0.00 0.00 61.69 61.06 2ctf s THR 64 Cb -0.14 -3.62 0.62 0.00 1.34 0.00 0.00 72.50 70.69 2ctf s THR 64 CO -0.05 0.35 1.51 -1.84 -0.54 0.00 0.00 174.62 174.05 2ctf n GLU 65 N 1.09 3.08 0.00 3.99 0.00 -1.26 -4.20 120.64 123.34 2ctf n GLU 65 Ca -0.10 -2.45 0.00 0.00 0.00 0.00 0.00 57.16 54.61 2ctf n GLU 65 Cb 0.52 -1.71 0.00 0.00 0.00 0.00 0.00 31.44 30.26 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 1.23 0.16 0.13 -1.84 0.00 -1.26 -4.88 105.19 98.73 2ctf n GLY 66 Ca 0.22 -0.09 0.12 0.00 0.00 0.00 0.00 46.02 46.28 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 -1.29 0.21 -3.96 1.61 -0.58 -1.26 -4.90 120.64 110.47 2ctf n GLU 67 Ca 0.00 0.40 -0.29 0.00 -0.42 0.00 0.00 57.16 56.85 2ctf n GLU 67 Cb 0.00 -1.87 -0.02 0.00 -0.57 0.00 0.00 31.44 28.98 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 -2.26 -1.32 -3.54 1.62 5.75 -1.26 -4.95 116.55 110.59 2ctf n ASP 68 Ca 0.03 -1.06 -0.11 0.00 -0.01 0.00 0.00 54.79 53.63 2ctf n ASP 68 Cb 0.26 -2.83 -0.03 0.00 -1.03 0.00 0.00 41.12 37.49 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 -6.62 1.22 -0.20 0.11 -2.85 -1.20 -3.88 119.74 106.31 2ctf s LYS 69 Ca 0.12 -0.60 -0.04 0.00 -1.00 0.00 0.00 55.97 54.45 2ctf s LYS 69 Cb -0.05 0.54 -0.01 0.00 -2.06 0.00 0.00 37.83 36.24 2ctf s LYS 69 CO 0.90 -0.51 -0.04 0.42 0.10 0.00 0.00 175.35 176.22 2ctf s ILE 70 N -3.78 3.52 -0.26 3.79 1.01 -0.86 -3.43 121.20 121.19 2ctf s ILE 70 Ca 0.03 -0.46 -0.11 0.00 0.00 0.00 0.00 60.65 60.11 2ctf s ILE 70 Cb -0.00 -2.58 -0.05 0.00 0.01 0.00 0.00 42.46 39.84 2ctf s ILE 70 CO -0.11 0.44 0.20 -0.89 0.00 0.00 0.00 174.94 174.58 2ctf s THR 71 N 1.18 5.32 0.11 2.92 2.01 -1.18 0.19 115.64 126.19 2ctf s THR 71 Ca 0.02 0.23 0.04 0.00 0.31 0.00 0.00 61.69 62.30 2ctf s THR 71 Cb -0.14 -3.54 -0.04 0.00 0.01 0.00 0.00 72.50 68.79 2ctf s THR 71 CO -0.01 0.29 0.07 -0.76 -0.69 0.00 0.00 174.62 173.53 2ctf s LEU 72 N 1.45 3.70 -0.04 4.42 2.01 0.65 -2.09 118.68 128.79 2ctf s LEU 72 Ca 0.08 -0.10 -0.01 0.00 0.01 0.00 0.00 54.13 54.11 2ctf s LEU 72 Cb -0.15 -2.37 0.03 0.00 0.01 0.00 0.00 46.19 43.71 2ctf s LEU 72 CO 0.08 0.14 0.04 -0.70 1.01 0.00 0.00 176.35 176.91 2ctf s GLU 73 N -2.62 0.14 0.00 1.70 2.12 -1.08 -2.58 118.70 116.37 2ctf s GLU 73 Ca 0.29 0.26 0.00 0.00 0.36 0.00 0.00 54.97 55.87 2ctf s GLU 73 Cb -0.11 -0.59 0.00 0.00 0.26 0.00 0.00 34.13 33.69 2ctf s GLU 73 CO 0.21 -0.28 0.00 0.41 -0.54 0.00 0.00 175.26 175.06 2ctf n GLY 74 N 5.00 -1.78 3.74 -1.50 0.00 -0.11 -1.63 105.19 108.92 2ctf n GLY 74 Ca -0.10 -1.26 -0.41 0.00 0.00 0.00 0.00 46.02 44.26 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 -2.00 4.40 0.46 1.61 0.04 -1.26 0.44 135.00 138.70 2ctf s PRO 75 Ca 0.00 2.05 0.34 0.00 0.04 0.00 0.00 61.00 63.43 2ctf s PRO 75 Cb 0.00 -3.19 1.50 0.00 0.04 0.00 0.00 34.50 32.85 2ctf s PRO 75 CO 0.00 -0.22 1.61 0.00 0.04 0.00 0.00 177.00 178.44 2ctf h THR 76 N 3.66 0.09 -0.64 1.26 1.03 -1.84 1.05 112.91 117.52 2ctf h THR 76 Ca -0.45 -0.02 0.00 0.00 -0.01 0.00 0.00 66.41 65.93 2ctf h THR 76 Cb 1.22 0.03 -0.03 0.00 -1.07 0.00 0.00 68.15 68.30 2ctf h THR 76 CO 0.76 0.01 0.41 1.05 -0.01 0.00 0.00 175.52 177.73 2ctf h GLU 77 N 0.05 0.86 0.05 0.00 4.11 -1.90 -2.33 114.58 115.43 2ctf h GLU 77 Ca 0.84 -0.07 -0.15 0.00 0.07 0.00 0.00 59.36 60.05 2ctf h GLU 77 Cb 2.82 -0.19 -0.01 0.00 0.50 0.00 0.00 28.75 31.87 2ctf h GLU 77 CO -0.34 0.60 -0.78 -0.44 0.07 0.00 0.00 179.01 178.12 2ctf h ASP 78 N 0.87 0.17 -1.32 3.06 3.32 0.59 -3.32 116.42 119.79 2ctf h ASP 78 Ca 0.23 -0.84 0.38 0.00 0.02 0.00 0.00 57.03 56.83 2ctf h ASP 78 Cb -0.06 -0.06 -0.07 0.00 0.22 0.00 0.00 39.33 39.36 2ctf h ASP 78 CO -0.05 1.33 0.92 0.58 -1.72 0.00 0.00 179.24 180.30 2ctf h VAL 79 N -0.73 0.31 -0.02 -1.35 2.07 -0.53 1.21 116.25 117.22 2ctf h VAL 79 Ca -0.18 -0.03 -0.16 0.00 0.82 0.00 0.00 66.70 67.15 2ctf h VAL 79 Cb 1.36 0.22 -0.01 0.00 -1.52 0.00 0.00 31.29 31.34 2ctf h VAL 79 CO -0.01 0.02 -0.73 0.28 0.02 0.00 0.00 177.57 177.14 2ctf h SER 80 N 0.09 0.18 0.06 0.57 0.02 -1.53 -1.49 113.55 111.44 2ctf h SER 80 Ca 0.68 -0.12 -0.11 0.00 -0.84 0.00 0.00 61.79 61.40 2ctf h SER 80 Cb 2.44 -0.05 0.01 0.00 0.14 0.00 0.00 62.40 64.93 2ctf h SER 80 CO -0.13 0.84 -0.49 0.58 -1.14 0.00 0.00 176.83 176.49 2ctf h VAL 81 N 0.09 1.58 -0.54 2.27 2.07 0.12 -2.05 116.25 119.80 2ctf h VAL 81 Ca -0.02 -2.41 -0.04 0.00 0.82 0.00 0.00 66.70 65.05 2ctf h VAL 81 Cb 1.29 3.20 -0.02 0.00 -1.52 0.00 0.00 31.29 34.23 2ctf h VAL 81 CO 0.11 0.64 0.19 0.00 0.02 0.00 0.00 177.57 178.52 2ctf h ALA 82 N -0.01 0.70 -0.21 1.67 0.00 -0.75 0.24 119.26 120.91 2ctf h ALA 82 Ca -0.10 -0.18 -0.18 0.00 0.00 0.00 0.00 54.91 54.45 2ctf h ALA 82 Cb 1.32 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 18.90 2ctf h ALA 82 CO 0.05 0.34 -0.60 -0.56 0.00 0.00 0.00 179.25 178.48 2ctf h GLN 83 N 0.74 0.70 -0.21 0.00 3.07 -1.41 -2.72 115.11 115.28 2ctf h GLN 83 Ca 0.18 -0.47 -0.10 0.00 0.09 0.00 0.00 58.65 58.34 2ctf h GLN 83 Cb 0.24 0.07 -0.01 0.00 0.08 0.00 0.00 27.48 27.85 2ctf h GLN 83 CO -0.01 1.09 -0.31 1.49 0.09 0.00 0.00 178.83 181.18 2ctf h GLU 84 N 0.53 0.43 -0.14 0.06 4.81 -1.20 -1.47 114.58 117.60 2ctf h GLU 84 Ca -0.00 -0.18 -0.03 0.00 -0.13 0.00 0.00 59.36 59.02 2ctf h GLU 84 Cb 1.18 -0.02 -0.00 0.00 0.63 0.00 0.00 28.75 30.54 2ctf h GLU 84 CO 0.12 0.70 -0.03 1.96 -0.73 0.00 0.00 179.01 181.03 2ctf h GLN 85 N 0.38 0.27 -0.14 1.92 4.20 -0.89 -2.92 115.11 117.94 2ctf h GLN 85 Ca 0.05 -0.10 -0.08 0.00 0.06 0.00 0.00 58.65 58.57 2ctf h GLN 85 Cb 0.74 -0.02 -0.01 0.00 0.30 0.00 0.00 27.48 28.49 2ctf h GLN 85 CO 0.06 0.56 -0.29 0.82 -0.67 0.00 0.00 178.83 179.31 2ctf h ILE 86 N -0.03 1.26 -0.76 2.54 2.04 -1.42 -2.81 117.51 118.32 2ctf h ILE 86 Ca 0.04 -1.22 -0.00 0.00 1.00 0.00 0.00 64.86 64.67 2ctf h ILE 86 Cb 0.46 1.47 -0.04 0.00 -0.74 0.00 0.00 36.82 37.97 2ctf h ILE 86 CO 0.01 0.37 0.48 -0.33 0.00 0.00 0.00 178.15 178.68 2ctf h GLU 87 N 0.23 1.02 0.26 2.37 4.39 -1.17 0.27 114.58 121.97 2ctf h GLU 87 Ca 0.03 -0.08 -0.01 0.00 0.34 0.00 0.00 59.36 59.64 2ctf h GLU 87 Cb 0.63 -0.22 0.00 0.00 -0.10 0.00 0.00 28.75 29.06 2ctf h GLU 87 CO 0.05 0.70 -0.13 0.78 -1.16 0.00 0.00 179.01 179.25 2ctf h GLY 88 N 1.06 -0.37 1.08 -3.84 0.00 -1.30 -1.75 103.07 97.95 2ctf h GLY 88 Ca 0.28 0.14 -0.05 0.00 0.00 0.00 0.00 47.33 47.69 2ctf h GLY 88 CO -0.05 -0.13 0.27 0.00 0.00 0.00 0.00 176.54 176.62 2ctf h MET 89 N -0.58 1.15 0.05 4.80 -0.00 -1.51 -1.10 114.93 117.75 2ctf h MET 89 Ca -0.04 -0.23 0.01 0.00 -0.00 0.00 0.00 59.70 59.45 2ctf h MET 89 Cb 0.42 -0.18 -0.01 0.00 -0.00 0.00 0.00 31.60 31.83 2ctf h MET 89 CO 0.06 0.96 -0.10 0.28 -0.00 0.00 0.00 176.91 178.11 2ctf h VAL 90 N 1.12 0.77 0.70 -0.10 2.07 -0.90 0.70 116.25 120.61 2ctf h VAL 90 Ca 0.25 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.74 2ctf h VAL 90 Cb 0.26 0.77 0.01 0.00 -1.52 0.00 0.00 31.29 30.81 2ctf h VAL 90 CO -0.01 0.00 -0.34 0.11 0.02 0.00 0.00 177.57 177.35 2ctf h LYS 91 N -0.19 -0.91 -1.02 1.57 1.57 -1.19 -2.92 116.57 113.47 2ctf h LYS 91 Ca 0.02 0.06 0.26 0.00 -1.87 0.00 0.00 60.65 59.12 2ctf h LYS 91 Cb 0.21 0.21 -0.08 0.00 0.08 0.00 0.00 32.23 32.64 2ctf h LYS 91 CO -0.06 -0.58 0.67 0.22 -0.57 0.00 0.00 179.45 179.13 2ctf h ASP 92 N -1.13 0.38 -0.94 0.86 3.58 -1.19 0.32 116.42 118.30 2ctf h ASP 92 Ca -0.10 0.06 0.05 0.00 0.42 0.00 0.00 57.03 57.47 2ctf h ASP 92 Cb 0.75 0.00 -0.06 0.00 1.72 0.00 0.00 39.33 41.75 2ctf h ASP 92 CO 0.16 0.09 0.61 -0.07 -2.88 0.00 0.00 179.24 177.15 2ctf h LEU 93 N 0.35 0.99 0.14 2.28 3.38 -0.66 0.92 115.31 122.70 2ctf h LEU 93 Ca 0.56 -0.00 -0.27 0.00 0.09 0.00 0.00 57.88 58.26 2ctf h LEU 93 Cb 1.52 -0.22 0.01 0.00 0.09 0.00 0.00 40.66 42.06 2ctf h LEU 93 CO -0.23 0.66 -1.33 0.40 0.09 0.00 0.00 178.44 178.02 2ctf h ILE 94 N 1.13 1.14 -0.81 1.22 2.04 -0.41 -3.35 117.51 118.47 2ctf h ILE 94 Ca 0.38 -2.46 0.06 0.00 1.00 0.00 0.00 64.86 63.84 2ctf h ILE 94 Cb 0.08 2.85 -0.05 0.00 -0.74 0.00 0.00 36.82 38.96 2ctf h ILE 94 CO -0.13 0.73 0.53 0.78 0.00 0.00 0.00 178.15 180.06 2ctf h ASN 95 N -0.24 0.79 0.25 1.72 2.35 -0.67 0.20 115.58 119.97 2ctf h ASN 95 Ca -0.27 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.48 2ctf h ASN 95 Cb 1.81 -0.17 0.00 0.00 0.05 0.00 0.00 38.32 40.01 2ctf h ASN 95 CO 0.11 0.51 0.00 -2.11 -1.65 0.00 0.00 177.43 174.29 2ctf n ARG 96 N -4.48 0.02 -0.01 0.81 1.85 0.30 -3.68 116.66 111.47 2ctf n ARG 96 Ca 0.12 0.41 -0.02 0.00 -1.00 0.00 0.00 57.85 57.36 2ctf n ARG 96 Cb 0.20 -1.56 -0.01 0.00 -1.05 0.00 0.00 32.46 30.05 2ctf n ARG 96 CO 0.00 0.00 0.00 0.45 -0.01 0.00 0.00 177.63 178.07 2ctf n SER 97 N -1.61 0.60 -4.68 2.89 2.88 0.49 -5.02 113.62 109.16 2ctf n SER 97 Ca 0.01 0.09 -0.39 0.00 -1.33 0.00 0.00 58.87 57.25 2ctf n SER 97 Cb 0.08 -0.39 0.03 0.00 -0.75 0.00 0.00 64.21 63.18 2ctf n SER 97 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2ctf n GLY 98 N 2.34 0.29 3.77 0.46 0.00 -0.02 -4.96 105.19 107.08 2ctf n GLY 98 Ca -0.03 0.05 -0.34 0.00 0.00 0.00 0.00 46.02 45.70 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 -2.52 3.11 0.55 1.61 0.04 -1.26 -4.79 135.00 131.73 2ctf s PRO 99 Ca 0.68 1.51 0.28 0.00 0.04 0.00 0.00 61.00 63.52 2ctf s PRO 99 Cb -0.46 -1.98 1.45 0.00 0.04 0.00 0.00 34.50 33.55 2ctf s PRO 99 CO 0.52 -1.02 1.95 0.66 0.04 0.00 0.00 177.00 179.15 2ctf h SER 100 N 0.68 0.00 -6.86 6.66 4.64 -1.92 -3.45 113.55 113.30 2ctf h SER 100 Ca -0.49 0.00 -0.57 0.00 -0.47 0.00 0.00 61.79 60.26 2ctf h SER 100 Cb 1.25 0.00 -0.18 0.00 -0.31 0.00 0.00 62.40 63.16 2ctf h SER 100 CO 0.56 0.00 -0.91 -1.20 -0.87 0.00 0.00 176.83 174.40 2ctf n SER 101 N -4.19 -0.49 0.00 4.97 7.64 -1.26 -5.26 113.62 115.03 2ctf n SER 101 Ca 0.12 -1.14 0.00 0.00 1.01 0.00 0.00 58.87 58.85 2ctf n SER 101 Cb 0.72 -2.25 0.00 0.00 -1.01 0.00 0.00 64.21 61.67 2ctf n SER 101 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64