#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 -0.11 0.12 1.61 0.15 -1.26 -5.19 113.70 109.02 2ctf s SER 2 Ca 0.00 -0.17 -0.24 0.00 0.70 0.00 0.00 55.95 56.24 2ctf s SER 2 Cb 0.00 0.24 0.08 0.00 -1.71 0.00 0.00 66.02 64.63 2ctf s SER 2 CO 0.00 -0.43 1.11 -0.94 1.20 0.00 0.00 173.24 174.17 2ctf s SER 3 N -2.83 -0.01 0.00 5.45 1.04 -1.26 -5.19 113.70 110.90 2ctf s SER 3 Ca 0.13 -0.52 0.00 0.00 0.48 0.00 0.00 55.95 56.04 2ctf s SER 3 Cb 0.02 0.40 0.00 0.00 0.10 0.00 0.00 66.02 66.54 2ctf s SER 3 CO -0.03 -0.78 0.00 0.61 0.98 0.00 0.00 173.24 174.02 2ctf n GLY 4 N -0.73 1.73 3.54 7.32 0.00 -1.26 -5.19 105.19 110.61 2ctf n GLY 4 Ca -0.02 -0.78 -0.09 0.00 0.00 0.00 0.00 46.02 45.13 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 0.00 -0.34 -0.20 1.61 0.15 -1.26 -5.19 113.70 108.47 2ctf s SER 5 Ca 0.00 0.16 -0.33 0.00 0.70 0.00 0.00 55.95 56.48 2ctf s SER 5 Cb 0.00 0.33 0.15 0.00 -1.71 0.00 0.00 66.02 64.78 2ctf s SER 5 CO 0.00 -0.47 1.21 -0.44 1.20 0.00 0.00 173.24 174.74 2ctf s SER 6 N -1.90 -0.15 0.00 5.45 0.01 -1.26 -5.17 113.70 110.68 2ctf s SER 6 Ca 0.03 0.06 0.00 0.00 1.31 0.00 0.00 55.95 57.35 2ctf s SER 6 Cb -0.01 0.15 0.00 0.00 0.21 0.00 0.00 66.02 66.37 2ctf s SER 6 CO -0.04 -0.21 0.00 0.61 0.41 0.00 0.00 173.24 174.01 2ctf n GLY 7 N 0.15 0.62 3.61 3.44 0.00 -1.26 -5.18 105.19 106.58 2ctf n GLY 7 Ca -0.01 0.63 -0.10 0.00 0.00 0.00 0.00 46.02 46.54 2ctf n GLY 7 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2ctf s GLU 8 N 0.00 0.52 0.85 1.61 4.04 -1.26 -5.17 118.70 119.29 2ctf s GLU 8 Ca 0.00 0.40 -0.11 0.00 0.04 0.00 0.00 54.97 55.30 2ctf s GLU 8 Cb 0.00 0.25 0.10 0.00 0.02 0.00 0.00 34.13 34.50 2ctf s GLU 8 CO 0.00 -0.11 1.09 -1.25 -1.84 0.00 0.00 175.26 173.15 2ctf s PRO 9 N -0.31 1.61 -0.12 -4.83 0.04 -1.26 -5.08 135.00 125.05 2ctf s PRO 9 Ca 0.01 0.94 -0.13 0.00 0.04 0.00 0.00 61.00 61.87 2ctf s PRO 9 Cb -0.03 -1.84 0.03 0.00 0.04 0.00 0.00 34.50 32.70 2ctf s PRO 9 CO -0.03 -2.03 0.36 -1.21 0.04 0.00 0.00 177.00 174.12 2ctf s GLU 10 N -4.92 0.45 -0.27 4.56 0.41 -1.26 -5.16 118.70 112.50 2ctf s GLU 10 Ca 0.63 0.43 -0.23 0.00 -0.41 0.00 0.00 54.97 55.39 2ctf s GLU 10 Cb -0.18 0.22 0.08 0.00 -1.78 0.00 0.00 34.13 32.47 2ctf s GLU 10 CO 0.57 -0.06 0.73 -1.59 -0.49 0.00 0.00 175.26 174.42 2ctf s LYS 11 N 0.04 0.79 -0.29 1.61 0.00 -1.26 -5.16 119.74 115.46 2ctf s LYS 11 Ca -0.01 1.02 -0.18 0.00 0.00 0.00 0.00 55.97 56.79 2ctf s LYS 11 Cb -0.03 0.34 0.18 0.00 0.00 0.00 0.00 37.83 38.32 2ctf s LYS 11 CO 0.01 -0.11 1.18 -0.48 0.00 0.00 0.00 175.35 175.95 2ctf s LEU 12 N 0.65 -0.24 -0.44 2.77 2.34 -1.26 -5.12 118.68 117.37 2ctf s LEU 12 Ca -0.02 0.41 0.01 0.00 0.06 0.00 0.00 54.13 54.59 2ctf s LEU 12 Cb -0.05 1.38 0.20 0.00 -0.56 0.00 0.00 46.19 47.16 2ctf s LEU 12 CO -0.04 -0.07 0.87 -0.83 -1.06 0.00 0.00 176.35 175.22 2ctf s GLY 13 N 0.89 -1.51 -0.28 -3.48 0.00 -1.26 -5.14 107.32 96.53 2ctf s GLY 13 Ca -0.05 0.04 -0.19 0.00 0.00 0.00 0.00 44.72 44.53 2ctf s GLY 13 CO -0.12 3.92 0.82 -0.86 0.00 0.00 0.00 173.10 176.86 2ctf s GLN 14 N 1.00 0.62 0.01 2.90 -2.07 -1.26 -5.18 119.66 115.68 2ctf s GLN 14 Ca 0.26 0.95 -0.28 0.00 -1.82 0.00 0.00 55.36 54.48 2ctf s GLN 14 Cb 0.05 0.18 0.09 0.00 -1.09 0.00 0.00 33.01 32.24 2ctf s GLN 14 CO -0.08 -0.11 0.79 0.00 -1.32 0.00 0.00 175.29 174.57 2ctf s ALA 15 N 1.16 -1.77 -0.77 2.60 0.00 -1.26 -5.10 121.76 116.62 2ctf s ALA 15 Ca -0.06 1.01 0.03 0.00 0.00 0.00 0.00 51.96 52.94 2ctf s ALA 15 Cb -0.05 0.30 0.21 0.00 0.00 0.00 0.00 23.12 23.58 2ctf s ALA 15 CO -0.13 -0.59 0.67 1.28 0.00 0.00 0.00 175.76 176.99 2ctf n LEU 16 N 0.08 3.67 -4.26 0.00 4.77 -1.26 -5.06 117.00 114.94 2ctf n LEU 16 Ca -0.13 -5.24 -0.20 0.00 -0.03 0.00 0.00 56.01 50.41 2ctf n LEU 16 Cb 0.61 -0.86 -0.11 0.00 -2.33 0.00 0.00 43.42 40.73 2ctf n LEU 16 CO 0.14 1.76 -0.47 0.42 -1.33 0.00 0.00 177.39 177.91 2ctf s THR 17 N -1.72 1.50 -0.54 -5.08 -4.23 -1.26 -5.11 115.64 99.20 2ctf s THR 17 Ca 0.29 -1.69 -0.08 0.00 -1.18 0.00 0.00 61.69 59.03 2ctf s THR 17 Cb -0.01 -1.57 0.14 0.00 1.34 0.00 0.00 72.50 72.41 2ctf s THR 17 CO -0.11 -0.31 0.40 -1.61 -0.54 0.00 0.00 174.62 172.45 2ctf s GLU 18 N -2.46 2.57 0.56 3.99 2.02 -1.26 -5.08 118.70 119.03 2ctf s GLU 18 Ca 0.09 -2.03 -0.17 0.00 0.02 0.00 0.00 54.97 52.88 2ctf s GLU 18 Cb -0.07 -3.90 -0.05 0.00 0.10 0.00 0.00 34.13 30.21 2ctf s GLU 18 CO 0.04 -1.19 1.05 0.08 0.02 0.00 0.00 175.26 175.27 2ctf s VAL 19 N 0.88 3.79 -0.01 2.63 1.01 -1.26 -5.07 120.40 122.37 2ctf s VAL 19 Ca 0.10 0.94 -0.01 0.00 0.00 0.00 0.00 61.98 63.01 2ctf s VAL 19 Cb -0.23 -3.40 0.00 0.00 0.00 0.00 0.00 36.38 32.75 2ctf s VAL 19 CO -0.03 -0.41 0.02 -0.72 0.00 0.00 0.00 175.10 173.96 2ctf s TYR 20 N -2.28 -0.02 -0.16 5.22 1.13 -1.26 -5.15 117.35 114.84 2ctf s TYR 20 Ca 0.65 0.05 -0.08 0.00 -1.41 0.00 0.00 57.07 56.28 2ctf s TYR 20 Cb -0.16 -0.01 0.06 0.00 -1.10 0.00 0.00 41.96 40.75 2ctf s TYR 20 CO 0.31 -0.01 0.37 0.00 -2.51 0.00 0.00 175.55 173.71 2ctf s ALA 21 N 0.07 -0.94 -0.54 9.51 0.00 -1.26 -5.04 121.76 123.57 2ctf s ALA 21 Ca -0.01 1.39 -0.00 0.00 0.00 0.00 0.00 51.96 53.34 2ctf s ALA 21 Cb -0.01 -0.92 0.46 0.00 0.00 0.00 0.00 23.12 22.65 2ctf s ALA 21 CO -0.00 -0.33 1.98 1.63 0.00 0.00 0.00 175.76 179.04 2ctf n LYS 22 N 4.44 2.40 -3.32 0.00 4.01 -1.26 -4.83 118.16 119.60 2ctf n LYS 22 Ca -0.21 -2.88 -0.19 0.00 -0.51 0.00 0.00 58.31 54.51 2ctf n LYS 22 Cb 0.54 -2.13 0.06 0.00 -0.51 0.00 0.00 35.03 32.99 2ctf n LYS 22 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 2ctf n ALA 23 N -0.76 -1.01 -1.56 7.82 0.00 -1.26 -4.90 120.51 118.83 2ctf n ALA 23 Ca 0.56 0.32 -0.49 0.00 0.00 0.00 0.00 53.44 53.83 2ctf n ALA 23 Cb 0.91 -4.38 -0.04 0.00 0.00 0.00 0.00 19.45 15.94 2ctf n ALA 23 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2ctf n ASN 24 N -2.05 1.05 0.21 0.00 4.13 -1.26 -4.89 115.26 112.45 2ctf n ASN 24 Ca -0.00 1.15 -0.15 0.00 1.68 0.00 0.00 54.58 57.26 2ctf n ASN 24 Cb 0.55 -1.18 -0.08 0.00 -1.54 0.00 0.00 39.78 37.53 2ctf n ASN 24 CO 0.00 0.00 0.00 0.28 0.28 0.00 0.00 177.26 177.82 2ctf h SER 25 N 3.03 -0.43 -3.81 6.41 0.02 -1.95 -3.37 113.55 113.44 2ctf h SER 25 Ca -0.42 -0.08 -0.66 0.00 -0.84 0.00 0.00 61.79 59.79 2ctf h SER 25 Cb 1.36 0.11 -0.18 0.00 0.14 0.00 0.00 62.40 63.82 2ctf h SER 25 CO 0.68 -0.18 -0.51 0.12 -1.14 0.00 0.00 176.83 175.80 2ctf s PHE 26 N -5.41 3.22 -0.07 3.45 5.36 -1.26 -3.64 117.98 119.62 2ctf s PHE 26 Ca -0.15 -0.06 0.02 0.00 -0.96 0.00 0.00 56.93 55.78 2ctf s PHE 26 Cb 0.03 -2.41 0.02 0.00 -0.34 0.00 0.00 43.02 40.31 2ctf s PHE 26 CO 0.59 -0.26 -0.11 0.99 -1.46 0.00 0.00 175.22 174.97 2ctf s THR 27 N 1.73 1.09 -0.25 0.12 2.01 0.16 -4.92 115.64 115.59 2ctf s THR 27 Ca 0.07 -0.43 0.02 0.00 0.31 0.00 0.00 61.69 61.65 2ctf s THR 27 Cb -0.17 -1.01 0.06 0.00 0.01 0.00 0.00 72.50 71.39 2ctf s THR 27 CO 0.10 0.35 -0.07 -0.69 -0.69 0.00 0.00 174.62 173.62 2ctf s VAL 28 N 0.81 1.77 0.21 3.82 1.01 -1.26 -1.09 120.40 125.67 2ctf s VAL 28 Ca -0.12 -1.40 0.09 0.00 0.00 0.00 0.00 61.98 60.55 2ctf s VAL 28 Cb -0.15 -1.99 -0.05 0.00 0.00 0.00 0.00 36.38 34.19 2ctf s VAL 28 CO 0.02 -0.10 -0.16 -0.44 0.00 0.00 0.00 175.10 174.42 2ctf s SER 29 N 1.28 2.82 0.17 3.32 0.01 -0.89 -4.95 113.70 115.46 2ctf s SER 29 Ca -0.06 -0.99 0.10 0.00 1.31 0.00 0.00 55.95 56.30 2ctf s SER 29 Cb -0.19 -0.18 -0.04 0.00 0.21 0.00 0.00 66.02 65.82 2ctf s SER 29 CO -0.06 -0.10 -0.22 -0.55 0.41 0.00 0.00 173.24 172.72 2ctf s SER 30 N -3.25 3.12 -0.21 2.44 0.15 -1.26 0.03 113.70 114.72 2ctf s SER 30 Ca 0.23 -0.84 0.02 0.00 0.70 0.00 0.00 55.95 56.06 2ctf s SER 30 Cb -0.03 -0.21 0.04 0.00 -1.71 0.00 0.00 66.02 64.11 2ctf s SER 30 CO 0.09 0.08 -0.16 -0.69 1.20 0.00 0.00 173.24 173.75 2ctf s VAL 31 N -1.67 2.10 -0.63 4.45 1.01 0.36 -4.96 120.40 121.06 2ctf s VAL 31 Ca 0.17 -1.23 -0.31 0.00 0.00 0.00 0.00 61.98 60.61 2ctf s VAL 31 Cb -0.08 -2.03 -0.14 0.00 0.00 0.00 0.00 36.38 34.13 2ctf s VAL 31 CO 0.08 0.29 2.45 0.00 0.00 0.00 0.00 175.10 177.93 2ctf n ALA 32 N 4.54 0.68 -2.91 5.51 0.00 -1.26 -2.73 120.51 124.34 2ctf n ALA 32 Ca -0.18 -0.46 -0.11 0.00 0.00 0.00 0.00 53.44 52.69 2ctf n ALA 32 Cb 0.47 -2.68 -0.13 0.00 0.00 0.00 0.00 19.45 17.10 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 9.69 0.01 1.23 0.00 0.00 -1.25 -4.98 121.76 126.46 2ctf s ALA 33 Ca 1.15 -0.15 -0.20 0.00 0.00 0.00 0.00 51.96 52.76 2ctf s ALA 33 Cb -0.76 0.03 0.30 0.00 0.00 0.00 0.00 23.12 22.69 2ctf s ALA 33 CO 0.41 -0.05 1.11 -1.25 0.00 0.00 0.00 175.76 175.98 2ctf s PRO 34 N -0.42 -1.44 0.00 0.00 0.04 -1.26 -3.09 135.00 128.84 2ctf s PRO 34 Ca -0.05 -0.14 0.00 0.00 0.04 0.00 0.00 61.00 60.86 2ctf s PRO 34 Cb -0.03 -1.58 0.00 0.00 0.04 0.00 0.00 34.50 32.93 2ctf s PRO 34 CO -0.00 -3.84 0.00 -1.13 0.04 0.00 0.00 177.00 172.07 2ctf n SER 35 N -4.84 4.28 0.16 6.66 3.41 -1.26 -4.64 113.62 117.39 2ctf n SER 35 Ca 0.14 0.00 0.11 0.00 -0.26 0.00 0.00 58.87 58.86 2ctf n SER 35 Cb 0.60 0.83 0.57 0.00 -0.26 0.00 0.00 64.21 65.95 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 -1.32 0.76 -1.45 7.33 4.27 -1.26 -1.13 117.44 124.63 2ctf n TRP 36 Ca 0.00 0.37 0.01 0.00 -3.89 0.00 0.00 57.50 53.99 2ctf n TRP 36 Cb 0.03 -1.10 0.20 0.00 -1.36 0.00 0.00 31.31 29.08 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 -2.26 3.51 -0.06 5.67 -0.00 -1.26 -4.68 117.00 117.92 2ctf n LEU 37 Ca -0.01 -3.73 -0.09 0.00 -0.00 0.00 0.00 56.01 52.18 2ctf n LEU 37 Cb 0.07 -0.58 0.07 0.00 -0.00 0.00 0.00 43.42 42.98 2ctf n LEU 37 CO 0.12 1.24 0.60 0.45 -0.00 0.00 0.00 177.39 179.80 2ctf h HIS 38 N 0.98 0.84 0.00 1.47 3.86 -1.41 0.22 115.15 121.11 2ctf h HIS 38 Ca 0.12 -0.24 0.00 0.00 -1.16 0.00 0.00 60.37 59.09 2ctf h HIS 38 Cb 1.38 -0.18 0.00 0.00 1.06 0.00 0.00 27.41 29.66 2ctf h HIS 38 CO 0.84 0.97 0.00 0.07 0.86 0.00 0.00 177.93 180.67 2ctf h ARG 39 N 0.59 0.00 0.03 2.45 0.11 -1.83 -2.12 114.38 113.61 2ctf h ARG 39 Ca 0.06 0.00 -0.38 0.00 0.10 0.00 0.00 59.98 59.75 2ctf h ARG 39 Cb 0.89 0.00 -0.06 0.00 1.11 0.00 0.00 29.97 31.92 2ctf h ARG 39 CO 0.08 0.00 -2.35 1.19 0.10 0.00 0.00 179.97 178.99 2ctf n PHE 40 N -2.96 0.33 0.24 4.08 3.72 -1.01 -3.30 117.46 118.55 2ctf n PHE 40 Ca 0.00 0.07 0.09 0.00 -0.05 0.00 0.00 57.45 57.57 2ctf n PHE 40 Cb 0.27 -1.04 0.60 0.00 -0.94 0.00 0.00 39.48 38.37 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 -0.01 0.83 0.01 4.37 2.10 -0.51 -3.14 117.51 121.16 2ctf h ILE 41 Ca -0.54 -0.68 -0.15 0.00 1.08 0.00 0.00 64.86 64.57 2ctf h ILE 41 Cb 1.93 1.40 -0.02 0.00 -1.09 0.00 0.00 36.82 39.04 2ctf h ILE 41 CO -0.05 0.17 -0.80 0.40 -1.08 0.00 0.00 178.15 176.79 2ctf h ILE 42 N 0.00 1.25 0.00 2.19 2.04 -1.57 -3.42 117.51 118.00 2ctf h ILE 42 Ca -0.00 -2.26 0.00 0.00 1.00 0.00 0.00 64.86 63.60 2ctf h ILE 42 Cb 0.39 2.70 0.00 0.00 -0.74 0.00 0.00 36.82 39.16 2ctf h ILE 42 CO 0.02 0.45 0.00 0.61 0.00 0.00 0.00 178.15 179.23 2ctf n GLY 43 N 1.52 3.05 0.33 5.37 0.00 -1.19 -3.89 105.19 110.38 2ctf n GLY 43 Ca -0.23 -1.77 0.24 0.00 0.00 0.00 0.00 46.02 44.26 2ctf n GLY 43 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 2ctf h LYS 44 N 0.00 0.10 0.00 1.61 3.64 -1.89 -3.27 116.57 116.76 2ctf h LYS 44 Ca 0.00 -0.01 -0.03 0.00 -1.27 0.00 0.00 60.65 59.35 2ctf h LYS 44 Cb 0.00 -0.02 -0.00 0.00 -0.41 0.00 0.00 32.23 31.79 2ctf h LYS 44 CO 0.00 0.06 -1.07 1.63 -2.27 0.00 0.00 179.45 177.81 2ctf n LYS 45 N -5.26 0.03 0.00 1.90 4.76 -1.26 -5.07 118.16 113.26 2ctf n LYS 45 Ca 0.31 0.01 0.00 0.00 -2.87 0.00 0.00 58.31 55.77 2ctf n LYS 45 Cb 1.03 -0.55 0.00 0.00 -1.84 0.00 0.00 35.03 33.67 2ctf n LYS 45 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2ctf n GLY 46 N 2.91 -0.03 0.12 0.72 0.00 -1.23 -5.07 105.19 102.62 2ctf n GLY 46 Ca -0.03 -0.01 -0.17 0.00 0.00 0.00 0.00 46.02 45.80 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 0.00 0.70 -0.31 1.61 7.27 -1.26 -2.77 117.38 122.63 2ctf n GLN 47 Ca 0.00 0.21 -0.04 0.00 0.07 0.00 0.00 57.00 57.24 2ctf n GLN 47 Cb 0.00 -1.65 0.08 0.00 2.41 0.00 0.00 30.24 31.07 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 0.04 1.01 0.00 1.69 2.35 -1.90 -1.26 115.58 117.51 2ctf h ASN 48 Ca -0.46 -0.07 -0.03 0.00 -0.55 0.00 0.00 56.30 55.20 2ctf h ASN 48 Cb 2.01 -0.25 -0.00 0.00 0.05 0.00 0.00 38.32 40.13 2ctf h ASN 48 CO 0.03 0.78 -0.16 -0.07 -1.65 0.00 0.00 177.43 176.36 2ctf h LEU 49 N 1.15 0.00 -0.79 1.61 3.38 -1.75 -3.25 115.31 115.66 2ctf h LEU 49 Ca 0.30 -0.83 0.19 0.00 0.09 0.00 0.00 57.88 57.63 2ctf h LEU 49 Cb -0.04 0.00 -0.12 0.00 0.09 0.00 0.00 40.66 40.58 2ctf h LEU 49 CO -0.06 1.01 0.18 0.00 0.09 0.00 0.00 178.44 179.66 2ctf h ALA 50 N -0.17 1.05 0.62 1.53 0.00 -1.52 0.13 119.26 120.91 2ctf h ALA 50 Ca -0.04 0.20 -0.02 0.00 0.00 0.00 0.00 54.91 55.04 2ctf h ALA 50 Cb 0.94 0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.99 2ctf h ALA 50 CO -0.03 -0.39 -0.45 0.87 0.00 0.00 0.00 179.25 179.26 2ctf h LYS 51 N 0.24 -0.99 -0.12 0.00 1.57 -1.36 0.38 116.57 116.29 2ctf h LYS 51 Ca 0.47 0.07 0.05 0.00 -1.87 0.00 0.00 60.65 59.36 2ctf h LYS 51 Cb 0.85 0.22 -0.06 0.00 0.08 0.00 0.00 32.23 33.33 2ctf h LYS 51 CO -0.58 -0.66 -0.27 0.82 -0.57 0.00 0.00 179.45 178.19 2ctf h ILE 52 N -1.02 0.37 -0.44 1.86 2.04 -1.36 -0.12 117.51 118.84 2ctf h ILE 52 Ca -0.08 0.00 0.11 0.00 1.00 0.00 0.00 64.86 65.90 2ctf h ILE 52 Cb 0.85 0.37 -0.02 0.00 -0.74 0.00 0.00 36.82 37.28 2ctf h ILE 52 CO 0.03 0.00 0.31 0.71 0.00 0.00 0.00 178.15 179.20 2ctf h THR 53 N -0.35 0.81 -0.46 -0.27 1.35 -0.91 0.94 112.91 114.03 2ctf h THR 53 Ca 0.10 -0.03 -0.05 0.00 -0.55 0.00 0.00 66.41 65.89 2ctf h THR 53 Cb 0.49 0.73 -0.02 0.00 -1.73 0.00 0.00 68.15 67.63 2ctf h THR 53 CO -0.32 0.01 0.11 -0.61 -0.25 0.00 0.00 175.52 174.47 2ctf h GLN 54 N 0.08 0.74 0.04 4.72 5.75 0.98 -2.82 115.11 124.59 2ctf h GLN 54 Ca 0.21 -0.18 -0.22 0.00 -0.15 0.00 0.00 58.65 58.31 2ctf h GLN 54 Cb 0.73 -0.10 -0.01 0.00 1.07 0.00 0.00 27.48 29.17 2ctf h GLN 54 CO -0.02 0.73 -1.00 0.37 -2.65 0.00 0.00 178.83 176.26 2ctf h GLN 55 N 0.62 0.18 -3.04 1.69 4.15 -0.72 -3.38 115.11 114.61 2ctf h GLN 55 Ca 0.14 -0.24 -0.66 0.00 0.77 0.00 0.00 58.65 58.67 2ctf h GLN 55 Cb 0.32 0.08 -0.39 0.00 0.21 0.00 0.00 27.48 27.71 2ctf h GLN 55 CO 0.00 1.03 -0.32 -1.33 -1.93 0.00 0.00 178.83 176.29 2ctf n MET 56 N -3.56 2.38 0.18 1.69 2.81 0.20 -4.89 117.12 115.93 2ctf n MET 56 Ca -0.04 -4.52 0.03 0.00 -1.81 0.00 0.00 57.70 51.36 2ctf n MET 56 Cb 0.89 -2.34 0.33 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 0.00 -0.00 0.03 0.13 -1.69 -2.94 132.00 132.99 2ctf h PRO 57 Ca 0.16 0.00 -0.16 0.00 -0.87 0.00 0.00 66.00 65.13 2ctf h PRO 57 Cb 0.75 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.86 2ctf h PRO 57 CO 0.82 0.42 -0.76 0.87 -0.23 0.00 0.00 178.00 179.12 2ctf h LYS 58 N 0.00 0.01 -6.13 0.86 1.57 -1.90 -3.43 116.57 107.55 2ctf h LYS 58 Ca -0.00 -0.01 -0.55 0.00 -1.87 0.00 0.00 60.65 58.21 2ctf h LYS 58 Cb 0.81 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 33.08 2ctf h LYS 58 CO 0.05 0.77 0.14 0.08 -0.57 0.00 0.00 179.45 179.92 2ctf s VAL 59 N -3.29 4.97 -0.30 0.50 1.01 -1.11 -4.50 120.40 117.68 2ctf s VAL 59 Ca -0.01 1.56 -0.06 0.00 0.00 0.00 0.00 61.98 63.47 2ctf s VAL 59 Cb 0.12 -4.09 0.02 0.00 0.00 0.00 0.00 36.38 32.42 2ctf s VAL 59 CO 0.79 0.26 0.07 -2.28 0.00 0.00 0.00 175.10 173.94 2ctf s HIS 60 N 0.68 3.16 -0.16 5.22 2.46 -0.90 -4.93 115.29 120.83 2ctf s HIS 60 Ca 0.40 -1.10 -0.23 0.00 0.47 0.00 0.00 55.06 54.59 2ctf s HIS 60 Cb -0.19 -2.24 -0.02 0.00 -0.13 0.00 0.00 32.58 30.00 2ctf s HIS 60 CO 0.20 -0.62 0.72 0.42 -2.47 0.00 0.00 174.74 173.00 2ctf s ILE 61 N 1.47 4.97 0.01 0.89 1.01 -1.26 -2.94 121.20 125.35 2ctf s ILE 61 Ca 0.02 1.41 0.07 0.00 0.00 0.00 0.00 60.65 62.15 2ctf s ILE 61 Cb -0.18 -4.04 -0.02 0.00 0.01 0.00 0.00 42.46 38.23 2ctf s ILE 61 CO 0.02 0.10 -0.22 -0.70 0.00 0.00 0.00 174.94 174.14 2ctf s GLU 62 N 1.80 1.64 -0.09 2.79 2.12 -0.87 -5.03 118.70 121.06 2ctf s GLU 62 Ca 0.34 -0.88 0.04 0.00 0.36 0.00 0.00 54.97 54.83 2ctf s GLU 62 Cb -0.16 -1.68 -0.00 0.00 0.26 0.00 0.00 34.13 32.55 2ctf s GLU 62 CO 0.12 0.45 -0.24 -0.06 -0.54 0.00 0.00 175.26 174.99 2ctf s PHE 63 N -0.65 2.54 -0.21 5.30 0.08 -1.26 -2.76 117.98 121.01 2ctf s PHE 63 Ca 0.09 -1.00 0.00 0.00 0.12 0.00 0.00 56.93 56.14 2ctf s PHE 63 Cb -0.09 -1.69 0.05 0.00 -0.57 0.00 0.00 43.02 40.72 2ctf s PHE 63 CO 0.00 -0.39 -0.05 0.99 -0.10 0.00 0.00 175.22 175.67 2ctf s THR 64 N 0.27 1.39 0.06 0.64 2.01 -1.16 -5.03 115.64 113.81 2ctf s THR 64 Ca -0.17 -1.03 -0.34 0.00 0.31 0.00 0.00 61.69 60.46 2ctf s THR 64 Cb -0.17 -1.63 -0.19 0.00 0.01 0.00 0.00 72.50 70.51 2ctf s THR 64 CO 0.08 -0.03 1.52 -0.33 -0.69 0.00 0.00 174.62 175.17 2ctf h GLU 65 N 8.01 -1.18 0.02 4.92 5.08 -1.96 0.65 114.58 130.13 2ctf h GLU 65 Ca -0.20 0.08 0.00 0.00 -1.00 0.00 0.00 59.36 58.24 2ctf h GLU 65 Cb 1.09 0.27 -0.00 0.00 0.50 0.00 0.00 28.75 30.60 2ctf h GLU 65 CO 0.41 -0.78 -0.05 0.78 -1.00 0.00 0.00 179.01 178.37 2ctf h GLY 66 N -1.22 -1.05 0.08 -3.84 0.00 -1.98 -1.72 103.07 93.34 2ctf h GLY 66 Ca -0.12 0.46 0.25 0.00 0.00 0.00 0.00 47.33 47.92 2ctf h GLY 66 CO 0.19 -0.39 0.72 0.83 0.00 0.00 0.00 176.54 177.89 2ctf h GLU 67 N -0.08 0.00 -5.77 4.80 4.39 -2.00 -3.45 114.58 112.47 2ctf h GLU 67 Ca -0.00 0.00 -0.35 0.00 0.34 0.00 0.00 59.36 59.35 2ctf h GLU 67 Cb 0.07 0.00 0.14 0.00 -0.10 0.00 0.00 28.75 28.86 2ctf h GLU 67 CO -0.02 0.00 -0.80 -0.25 -1.16 0.00 0.00 179.01 176.79 2ctf n ASP 68 N -3.98 -2.13 -3.55 1.42 8.00 0.21 -5.00 116.55 111.52 2ctf n ASP 68 Ca 0.18 -0.69 -0.11 0.00 0.71 0.00 0.00 54.79 54.88 2ctf n ASP 68 Cb 1.02 -4.80 -0.03 0.00 -0.02 0.00 0.00 41.12 37.28 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 -5.48 1.18 -0.25 -1.24 -2.85 -1.18 -3.84 119.74 106.08 2ctf s LYS 69 Ca 0.04 -0.62 -0.04 0.00 -1.00 0.00 0.00 55.97 54.34 2ctf s LYS 69 Cb -0.01 0.52 0.00 0.00 -2.06 0.00 0.00 37.83 36.29 2ctf s LYS 69 CO 0.76 -0.49 -0.00 0.42 0.10 0.00 0.00 175.35 176.13 2ctf s ILE 70 N -3.79 3.50 -0.08 3.79 1.01 -1.10 -3.00 121.20 121.52 2ctf s ILE 70 Ca 0.03 -0.63 -0.13 0.00 0.00 0.00 0.00 60.65 59.92 2ctf s ILE 70 Cb 0.00 -2.69 -0.05 0.00 0.01 0.00 0.00 42.46 39.73 2ctf s ILE 70 CO -0.12 0.28 0.31 -0.89 0.00 0.00 0.00 174.94 174.52 2ctf s THR 71 N 1.46 5.24 -0.04 2.92 2.01 -1.11 -0.49 115.64 125.64 2ctf s THR 71 Ca 0.04 0.59 0.07 0.00 0.31 0.00 0.00 61.69 62.70 2ctf s THR 71 Cb -0.16 -3.61 -0.01 0.00 0.01 0.00 0.00 72.50 68.73 2ctf s THR 71 CO -0.01 0.52 -0.24 -0.76 -0.69 0.00 0.00 174.62 173.44 2ctf s LEU 72 N -0.52 2.04 -0.11 4.42 2.01 0.10 -2.04 118.68 124.58 2ctf s LEU 72 Ca 0.19 -0.45 0.03 0.00 0.01 0.00 0.00 54.13 53.91 2ctf s LEU 72 Cb -0.14 -1.26 0.00 0.00 0.01 0.00 0.00 46.19 44.80 2ctf s LEU 72 CO 0.08 0.26 -0.23 -0.70 1.01 0.00 0.00 176.35 176.77 2ctf s GLU 73 N -0.34 3.07 0.00 1.70 -6.30 -1.15 -2.10 118.70 113.57 2ctf s GLU 73 Ca 0.03 -0.86 0.00 0.00 -2.50 0.00 0.00 54.97 51.64 2ctf s GLU 73 Cb -0.11 -2.35 0.00 0.00 0.00 0.00 0.00 34.13 31.67 2ctf s GLU 73 CO 0.01 0.14 0.00 0.41 0.02 0.00 0.00 175.26 175.84 2ctf n GLY 74 N 3.64 -0.69 3.70 -1.50 0.00 -0.25 -2.11 105.19 107.98 2ctf n GLY 74 Ca -0.19 -1.52 -0.42 0.00 0.00 0.00 0.00 46.02 43.88 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 -1.89 4.29 0.54 1.61 0.04 -1.24 0.37 135.00 138.72 2ctf s PRO 75 Ca 0.00 2.02 0.47 0.00 0.04 0.00 0.00 61.00 63.53 2ctf s PRO 75 Cb 0.00 -3.46 1.70 0.00 0.04 0.00 0.00 34.50 32.78 2ctf s PRO 75 CO 0.00 -0.53 1.57 0.00 0.04 0.00 0.00 177.00 178.08 2ctf h THR 76 N 4.67 0.00 0.87 1.26 1.03 -1.80 0.32 112.91 119.27 2ctf h THR 76 Ca -0.40 -0.00 -0.04 0.00 -0.01 0.00 0.00 66.41 65.96 2ctf h THR 76 Cb 1.19 0.00 0.01 0.00 -1.07 0.00 0.00 68.15 68.28 2ctf h THR 76 CO 0.89 0.00 -0.45 -0.08 -0.01 0.00 0.00 175.52 175.87 2ctf h GLU 77 N 0.00 -1.17 -0.16 0.00 4.57 -1.89 -1.62 114.58 114.31 2ctf h GLU 77 Ca 0.94 0.08 -0.22 0.00 -1.18 0.00 0.00 59.36 58.98 2ctf h GLU 77 Cb 3.61 0.27 0.01 0.00 -0.16 0.00 0.00 28.75 32.48 2ctf h GLU 77 CO -0.11 -0.78 -0.76 -0.44 -1.18 0.00 0.00 179.01 175.74 2ctf h ASP 78 N -1.22 0.90 -0.88 1.04 5.19 -0.91 -3.22 116.42 117.33 2ctf h ASP 78 Ca -0.12 -0.58 0.17 0.00 -0.62 0.00 0.00 57.03 55.88 2ctf h ASP 78 Cb 0.95 -0.27 -0.10 0.00 0.18 0.00 0.00 39.33 40.09 2ctf h ASP 78 CO 0.18 1.38 0.45 0.58 -3.12 0.00 0.00 179.24 178.70 2ctf h VAL 79 N 0.53 0.66 0.00 -1.35 2.07 -0.66 0.40 116.25 117.89 2ctf h VAL 79 Ca -0.05 -0.20 -0.04 0.00 0.82 0.00 0.00 66.70 67.24 2ctf h VAL 79 Cb 1.38 0.02 -0.01 0.00 -1.52 0.00 0.00 31.29 31.17 2ctf h VAL 79 CO 0.15 0.11 -0.18 0.28 0.02 0.00 0.00 177.57 177.95 2ctf h SER 80 N 0.58 0.00 0.00 0.57 0.02 -1.30 0.11 113.55 113.53 2ctf h SER 80 Ca 0.51 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 61.44 2ctf h SER 80 Cb 0.80 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.34 2ctf h SER 80 CO -0.41 0.18 -0.07 0.58 -1.14 0.00 0.00 176.83 175.97 2ctf h VAL 81 N 0.00 1.75 0.28 2.27 2.07 -0.39 -2.94 116.25 119.30 2ctf h VAL 81 Ca -0.00 -2.35 -0.01 0.00 0.82 0.00 0.00 66.70 65.16 2ctf h VAL 81 Cb 0.36 3.34 0.00 0.00 -1.52 0.00 0.00 31.29 33.47 2ctf h VAL 81 CO 0.02 0.60 -0.14 0.00 0.02 0.00 0.00 177.57 178.08 2ctf h ALA 82 N -0.02 -0.38 -0.93 1.67 0.00 -0.74 -0.70 119.26 118.16 2ctf h ALA 82 Ca -0.02 -0.15 0.11 0.00 0.00 0.00 0.00 54.91 54.85 2ctf h ALA 82 Cb 1.02 0.15 -0.07 0.00 0.00 0.00 0.00 17.79 18.89 2ctf h ALA 82 CO -0.01 -0.61 0.60 -0.56 0.00 0.00 0.00 179.25 178.67 2ctf h GLN 83 N -0.59 0.87 -0.29 0.00 3.07 -0.96 -1.64 115.11 115.57 2ctf h GLN 83 Ca -0.04 -0.05 -0.09 0.00 0.09 0.00 0.00 58.65 58.56 2ctf h GLN 83 Cb 0.43 -0.20 -0.01 0.00 0.08 0.00 0.00 27.48 27.78 2ctf h GLN 83 CO 0.06 0.58 -0.15 1.49 0.09 0.00 0.00 178.83 180.90 2ctf h GLU 84 N 0.90 0.62 -0.18 0.06 4.81 -1.38 -2.24 114.58 117.16 2ctf h GLU 84 Ca 0.45 -0.27 0.05 0.00 -0.13 0.00 0.00 59.36 59.46 2ctf h GLU 84 Cb 0.48 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.84 2ctf h GLU 84 CO -0.21 0.85 0.16 1.96 -0.73 0.00 0.00 179.01 181.04 2ctf h GLN 85 N 0.36 0.00 0.04 1.92 4.20 -0.20 -0.71 115.11 120.73 2ctf h GLN 85 Ca 0.06 0.00 -0.26 0.00 0.06 0.00 0.00 58.65 58.52 2ctf h GLN 85 Cb 0.68 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 28.43 2ctf h GLN 85 CO 0.04 0.00 -1.31 0.82 -0.67 0.00 0.00 178.83 177.72 2ctf h ILE 86 N 0.00 1.37 -0.00 2.54 2.04 -1.18 -3.27 117.51 119.00 2ctf h ILE 86 Ca 0.09 -3.09 -0.00 0.00 1.00 0.00 0.00 64.86 62.86 2ctf h ILE 86 Cb 0.40 2.74 -0.00 0.00 -0.74 0.00 0.00 36.82 39.22 2ctf h ILE 86 CO -0.00 0.82 -0.02 -0.33 0.00 0.00 0.00 178.15 178.63 2ctf h GLU 87 N 0.02 0.00 0.07 2.37 5.08 -0.52 -0.23 114.58 121.38 2ctf h GLU 87 Ca -0.14 -0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.22 2ctf h GLU 87 Cb 1.90 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.15 2ctf h GLU 87 CO 0.13 0.02 -0.03 0.78 -1.00 0.00 0.00 179.01 178.91 2ctf h GLY 88 N 0.05 -0.10 2.00 -3.84 0.00 -1.59 -2.91 103.07 96.69 2ctf h GLY 88 Ca 0.00 0.04 -0.01 0.00 0.00 0.00 0.00 47.33 47.36 2ctf h GLY 88 CO 0.00 -0.04 -0.04 0.00 0.00 0.00 0.00 176.54 176.46 2ctf h MET 89 N -0.92 0.00 0.06 4.80 -0.00 -1.58 -0.90 114.93 116.40 2ctf h MET 89 Ca -0.01 0.00 -0.00 0.00 -0.00 0.00 0.00 59.70 59.69 2ctf h MET 89 Cb 0.58 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.18 2ctf h MET 89 CO 0.02 0.04 -0.03 0.28 -0.00 0.00 0.00 176.91 177.22 2ctf h VAL 90 N 0.00 1.24 -0.52 -0.10 2.07 -1.10 -2.44 116.25 115.41 2ctf h VAL 90 Ca -0.00 -1.38 -0.11 0.00 0.82 0.00 0.00 66.70 66.03 2ctf h VAL 90 Cb 0.19 2.10 -0.02 0.00 -1.52 0.00 0.00 31.29 32.05 2ctf h VAL 90 CO 0.01 0.33 -0.10 0.50 0.02 0.00 0.00 177.57 178.32 2ctf h LYS 91 N -0.74 0.99 -0.87 1.57 3.64 -1.29 -2.76 116.57 117.11 2ctf h LYS 91 Ca -0.01 -0.37 0.01 0.00 -1.27 0.00 0.00 60.65 59.01 2ctf h LYS 91 Cb 0.60 -0.06 -0.04 0.00 -0.41 0.00 0.00 32.23 32.32 2ctf h LYS 91 CO 0.01 1.04 0.58 0.22 -2.27 0.00 0.00 179.45 179.04 2ctf h ASP 92 N 0.86 1.00 -0.81 4.20 3.58 -1.26 0.99 116.42 124.98 2ctf h ASP 92 Ca 0.13 -0.03 -0.04 0.00 0.42 0.00 0.00 57.03 57.52 2ctf h ASP 92 Cb 0.66 -0.25 -0.04 0.00 1.72 0.00 0.00 39.33 41.43 2ctf h ASP 92 CO 0.05 0.72 0.34 -0.07 -2.88 0.00 0.00 179.24 177.41 2ctf h LEU 93 N 1.18 1.09 -0.18 2.28 3.38 -1.29 -2.09 115.31 119.68 2ctf h LEU 93 Ca 0.32 -0.16 -0.12 0.00 0.09 0.00 0.00 57.88 58.01 2ctf h LEU 93 Cb -0.14 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 40.33 2ctf h LEU 93 CO -0.07 0.95 -0.35 0.40 0.09 0.00 0.00 178.44 179.46 2ctf h ILE 94 N 1.16 1.34 -0.60 1.22 2.04 -1.13 -3.23 117.51 118.31 2ctf h ILE 94 Ca 0.27 -1.59 0.07 0.00 1.00 0.00 0.00 64.86 64.62 2ctf h ILE 94 Cb 0.18 1.91 -0.06 0.00 -0.74 0.00 0.00 36.82 38.11 2ctf h ILE 94 CO -0.03 0.49 0.27 0.78 0.00 0.00 0.00 178.15 179.66 2ctf h ASN 95 N 0.21 0.34 -0.56 1.72 4.21 -0.66 -2.83 115.58 118.02 2ctf h ASN 95 Ca 0.01 0.05 0.06 0.00 1.21 0.00 0.00 56.30 57.63 2ctf h ASN 95 Cb 0.95 0.00 -0.09 0.00 -1.12 0.00 0.00 38.32 38.06 2ctf h ASN 95 CO 0.08 0.21 -0.53 0.03 -1.29 0.00 0.00 177.43 175.93 2ctf h ARG 96 N 0.49 -0.24 -6.91 0.81 3.08 -1.40 -3.39 114.38 106.82 2ctf h ARG 96 Ca 0.29 0.02 -0.52 0.00 0.07 0.00 0.00 59.98 59.83 2ctf h ARG 96 Cb 0.28 0.06 0.07 0.00 0.08 0.00 0.00 29.97 30.45 2ctf h ARG 96 CO -0.24 -0.16 0.60 -1.54 -1.07 0.00 0.00 179.97 177.56 2ctf s SER 97 N -5.04 6.62 0.00 7.04 1.04 -1.07 -5.03 113.70 117.27 2ctf s SER 97 Ca -0.13 2.61 0.00 0.00 0.48 0.00 0.00 55.95 58.91 2ctf s SER 97 Cb 0.09 -2.64 0.00 0.00 0.10 0.00 0.00 66.02 63.57 2ctf s SER 97 CO 0.57 -0.63 0.00 0.61 0.98 0.00 0.00 173.24 174.77 2ctf n GLY 98 N 0.76 6.99 0.19 7.32 0.00 -1.26 -4.96 105.19 114.23 2ctf n GLY 98 Ca 0.02 -1.84 0.14 0.00 0.00 0.00 0.00 46.02 44.33 2ctf n GLY 98 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2ctf h PRO 99 N 0.00 0.00 -0.88 1.61 0.13 -1.97 -3.28 132.00 127.60 2ctf h PRO 99 Ca 0.00 0.00 0.13 0.00 -0.87 0.00 0.00 66.00 65.26 2ctf h PRO 99 Cb 0.00 0.00 -0.14 0.00 0.13 0.00 0.00 31.00 30.99 2ctf h PRO 99 CO 0.00 0.00 -0.41 1.03 -0.23 0.00 0.00 178.00 178.39 2ctf h SER 100 N 0.00 -1.49 -1.48 1.44 0.87 -2.00 -3.40 113.55 107.50 2ctf h SER 100 Ca 0.00 0.29 -0.69 0.00 -1.23 0.00 0.00 61.79 60.16 2ctf h SER 100 Cb 0.40 0.74 0.08 0.00 -0.44 0.00 0.00 62.40 63.18 2ctf h SER 100 CO 0.00 -0.29 0.05 -0.24 -0.53 0.00 0.00 176.83 175.82 2ctf n SER 101 N -5.43 0.44 0.00 6.23 2.88 -1.24 -5.29 113.62 111.20 2ctf n SER 101 Ca 0.07 1.14 0.00 0.00 -1.33 0.00 0.00 58.87 58.76 2ctf n SER 101 Cb 0.37 -1.08 0.00 0.00 -0.75 0.00 0.00 64.21 62.75 2ctf n SER 101 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42