#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 -0.64 -0.29 1.61 0.15 -1.26 -5.17 113.70 108.10 2ctf s SER 2 Ca 0.00 1.01 -0.25 0.00 0.70 0.00 0.00 55.95 57.41 2ctf s SER 2 Cb 0.00 0.97 0.15 0.00 -1.71 0.00 0.00 66.02 65.44 2ctf s SER 2 CO 0.00 -0.38 1.21 -0.55 1.20 0.00 0.00 173.24 174.72 2ctf s SER 3 N -0.33 -0.28 0.44 5.45 0.15 -1.26 -5.18 113.70 112.69 2ctf s SER 3 Ca -0.05 0.53 0.08 0.00 0.70 0.00 0.00 55.95 57.22 2ctf s SER 3 Cb -0.03 0.54 0.02 0.00 -1.71 0.00 0.00 66.02 64.84 2ctf s SER 3 CO 0.04 -0.09 0.59 -0.83 1.20 0.00 0.00 173.24 174.15 2ctf s GLY 4 N 0.13 1.93 -0.17 9.45 0.00 -1.26 -5.13 107.32 112.26 2ctf s GLY 4 Ca 0.05 -1.74 -0.30 0.00 0.00 0.00 0.00 44.72 42.73 2ctf s GLY 4 CO -0.10 -1.52 1.05 -0.45 0.00 0.00 0.00 173.10 172.07 2ctf s SER 5 N -4.38 -0.32 -0.23 1.64 0.15 -1.26 -5.17 113.70 104.14 2ctf s SER 5 Ca 0.56 0.33 -0.09 0.00 0.70 0.00 0.00 55.95 57.45 2ctf s SER 5 Cb -0.09 0.26 0.09 0.00 -1.71 0.00 0.00 66.02 64.57 2ctf s SER 5 CO 0.34 -0.30 0.50 -0.94 1.20 0.00 0.00 173.24 174.03 2ctf s SER 6 N -1.16 -0.58 -0.09 5.45 1.04 -1.26 -5.16 113.70 111.94 2ctf s SER 6 Ca 0.00 1.17 -0.32 0.00 0.48 0.00 0.00 55.95 57.28 2ctf s SER 6 Cb -0.01 1.49 0.12 0.00 0.10 0.00 0.00 66.02 67.72 2ctf s SER 6 CO -0.00 -0.22 1.03 -0.83 0.98 0.00 0.00 173.24 174.20 2ctf s GLY 7 N 2.39 -0.38 -0.78 7.32 0.00 -1.26 -5.10 107.32 109.51 2ctf s GLY 7 Ca -0.05 1.30 0.02 0.00 0.00 0.00 0.00 44.72 45.99 2ctf s GLY 7 CO -0.15 0.44 0.61 -0.54 0.00 0.00 0.00 173.10 173.46 2ctf s GLU 8 N -2.76 2.80 1.02 2.90 8.01 -1.26 -5.09 118.70 124.32 2ctf s GLU 8 Ca 0.07 -3.29 -0.17 0.00 0.01 0.00 0.00 54.97 51.59 2ctf s GLU 8 Cb -0.01 -3.65 0.25 0.00 -4.31 0.00 0.00 34.13 26.41 2ctf s GLU 8 CO -0.07 -1.27 0.91 -0.35 0.01 0.00 0.00 175.26 174.49 2ctf n PRO 9 N 2.18 -2.80 -4.01 0.39 -0.04 -1.26 -5.05 135.00 124.42 2ctf n PRO 9 Ca 0.20 -1.45 -0.31 0.00 -0.04 0.00 0.00 63.50 61.89 2ctf n PRO 9 Cb 0.36 -1.36 -0.15 0.00 -0.04 0.00 0.00 33.50 32.30 2ctf n PRO 9 CO 0.00 0.00 0.00 -1.83 -0.04 0.00 0.00 175.50 173.63 2ctf s GLU 10 N -5.06 1.97 -0.10 0.54 -1.05 -1.26 -5.10 118.70 108.63 2ctf s GLU 10 Ca 0.59 -1.12 0.03 0.00 -0.15 0.00 0.00 54.97 54.33 2ctf s GLU 10 Cb -0.06 -2.69 0.01 0.00 -0.44 0.00 0.00 34.13 30.95 2ctf s GLU 10 CO 0.45 -0.55 -0.21 0.21 0.95 0.00 0.00 175.26 176.11 2ctf s LYS 11 N 1.27 2.72 -1.24 -4.83 2.47 -1.26 -4.71 119.74 114.16 2ctf s LYS 11 Ca -0.06 -0.76 -0.06 0.00 -1.56 0.00 0.00 55.97 53.52 2ctf s LYS 11 Cb -0.19 -2.12 0.01 0.00 -1.46 0.00 0.00 37.83 34.06 2ctf s LYS 11 CO -0.06 0.09 1.07 1.28 0.16 0.00 0.00 175.35 177.89 2ctf n LEU 12 N 3.74 -3.46 -2.79 5.43 4.77 -1.26 -4.95 117.00 118.47 2ctf n LEU 12 Ca -0.20 -0.52 -0.09 0.00 -0.03 0.00 0.00 56.01 55.16 2ctf n LEU 12 Cb 0.52 -2.90 0.04 0.00 -2.33 0.00 0.00 43.42 38.76 2ctf n LEU 12 CO 0.27 0.55 0.16 0.61 -1.33 0.00 0.00 177.39 177.65 2ctf n GLY 13 N -1.72 0.29 3.67 -0.72 0.00 -1.26 -5.15 105.19 100.29 2ctf n GLY 13 Ca -0.06 -0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.72 2ctf n GLY 13 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2ctf s GLN 14 N 0.52 2.24 -0.48 1.61 0.74 -1.26 -5.03 119.66 117.99 2ctf s GLN 14 Ca 0.32 -1.58 0.03 0.00 0.05 0.00 0.00 55.36 54.17 2ctf s GLN 14 Cb 0.23 -2.08 0.46 0.00 1.10 0.00 0.00 33.01 32.72 2ctf s GLN 14 CO -0.23 0.20 1.62 0.00 -0.55 0.00 0.00 175.29 176.33 2ctf n ALA 15 N -1.00 5.68 -3.91 1.58 0.00 -1.26 -4.87 120.51 116.73 2ctf n ALA 15 Ca -0.04 -3.62 -0.30 0.00 0.00 0.00 0.00 53.44 49.48 2ctf n ALA 15 Cb 0.61 -1.06 -0.14 0.00 0.00 0.00 0.00 19.45 18.86 2ctf n ALA 15 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2ctf s LEU 16 N -3.71 4.00 0.98 0.00 1.43 -1.26 -5.11 118.68 115.01 2ctf s LEU 16 Ca 0.58 -2.81 -0.14 0.00 -1.03 0.00 0.00 54.13 50.73 2ctf s LEU 16 Cb 0.46 -1.50 0.03 0.00 0.03 0.00 0.00 46.19 45.21 2ctf s LEU 16 CO 0.01 -0.26 0.23 0.41 0.23 0.00 0.00 176.35 176.97 2ctf n THR 17 N 3.37 0.00 -3.73 5.49 -1.04 -1.26 -4.99 114.28 112.11 2ctf n THR 17 Ca 0.05 -0.23 -0.30 0.00 -2.04 0.00 0.00 64.05 61.54 2ctf n THR 17 Cb 0.34 -0.56 -0.14 0.00 -1.82 0.00 0.00 70.33 68.14 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 -3.46 0.93 0.81 -2.82 -1.05 -1.26 -5.13 118.70 106.73 2ctf s GLU 18 Ca 0.55 -1.43 -0.12 0.00 -0.15 0.00 0.00 54.97 53.83 2ctf s GLU 18 Cb -0.19 -2.15 0.08 0.00 -0.44 0.00 0.00 34.13 31.43 2ctf s GLU 18 CO 0.68 -1.05 1.10 0.14 0.95 0.00 0.00 175.26 177.09 2ctf s VAL 19 N 1.15 2.91 -0.08 1.83 -7.23 -1.26 -5.07 120.40 112.65 2ctf s VAL 19 Ca 0.13 0.30 0.00 0.00 -1.81 0.00 0.00 61.98 60.60 2ctf s VAL 19 Cb -0.20 -3.04 0.02 0.00 0.56 0.00 0.00 36.38 33.72 2ctf s VAL 19 CO -0.15 -0.39 -0.08 -0.72 -0.31 0.00 0.00 175.10 173.46 2ctf s TYR 20 N -3.17 1.26 -0.24 2.82 1.13 -1.26 -5.12 117.35 112.77 2ctf s TYR 20 Ca 0.61 -0.53 -0.07 0.00 -1.41 0.00 0.00 57.07 55.67 2ctf s TYR 20 Cb -0.14 -1.04 -0.03 0.00 -1.10 0.00 0.00 41.96 39.64 2ctf s TYR 20 CO 0.54 -0.37 0.06 0.00 -2.51 0.00 0.00 175.55 173.27 2ctf s ALA 21 N 1.30 3.15 0.05 9.51 0.00 -1.26 -5.02 121.76 129.49 2ctf s ALA 21 Ca -0.03 -1.09 -0.26 0.00 0.00 0.00 0.00 51.96 50.59 2ctf s ALA 21 Cb -0.14 -2.01 -0.13 0.00 0.00 0.00 0.00 23.12 20.84 2ctf s ALA 21 CO -0.03 -0.39 1.39 0.87 0.00 0.00 0.00 175.76 177.60 2ctf h LYS 22 N 8.02 -0.78 -1.50 0.00 1.57 -2.08 -3.48 116.57 118.33 2ctf h LYS 22 Ca -0.38 0.05 0.28 0.00 -1.87 0.00 0.00 60.65 58.73 2ctf h LYS 22 Cb 1.17 0.18 -0.15 0.00 0.08 0.00 0.00 32.23 33.51 2ctf h LYS 22 CO 0.59 -0.52 0.80 0.00 -0.57 0.00 0.00 179.45 179.75 2ctf s ALA 23 N -5.06 -2.13 1.02 3.86 0.00 -1.26 -5.17 121.76 113.03 2ctf s ALA 23 Ca -0.13 1.14 -0.12 0.00 0.00 0.00 0.00 51.96 52.85 2ctf s ALA 23 Cb 0.02 0.13 0.20 0.00 0.00 0.00 0.00 23.12 23.47 2ctf s ALA 23 CO 0.42 -0.81 1.07 -0.80 0.00 0.00 0.00 175.76 175.64 2ctf s ASN 24 N -2.56 2.23 0.02 0.00 0.02 -1.26 -5.06 114.94 108.33 2ctf s ASN 24 Ca 0.11 1.57 0.02 0.00 -1.02 0.00 0.00 52.86 53.55 2ctf s ASN 24 Cb 0.02 -2.24 -0.02 0.00 0.02 0.00 0.00 41.25 39.03 2ctf s ASN 24 CO -0.04 -3.43 -0.07 -0.94 0.02 0.00 0.00 177.10 172.64 2ctf s SER 25 N -2.94 0.83 0.08 -1.22 1.04 -1.26 -5.08 113.70 105.15 2ctf s SER 25 Ca 0.66 -0.37 -0.31 0.00 0.48 0.00 0.00 55.95 56.42 2ctf s SER 25 Cb -0.22 -0.01 -0.09 0.00 0.10 0.00 0.00 66.02 65.80 2ctf s SER 25 CO 0.60 -0.08 1.75 0.12 0.98 0.00 0.00 173.24 176.61 2ctf s PHE 26 N -0.86 2.19 -0.06 5.02 5.36 -1.26 -3.09 117.98 125.28 2ctf s PHE 26 Ca -0.05 0.11 0.02 0.00 -0.96 0.00 0.00 56.93 56.05 2ctf s PHE 26 Cb -0.07 -4.07 0.02 0.00 -0.34 0.00 0.00 43.02 38.56 2ctf s PHE 26 CO 0.00 -4.40 -0.10 0.99 -1.46 0.00 0.00 175.22 170.25 2ctf s THR 27 N 2.92 0.93 -0.24 0.12 2.01 1.00 -4.88 115.64 117.50 2ctf s THR 27 Ca 0.78 -0.36 0.01 0.00 0.31 0.00 0.00 61.69 62.43 2ctf s THR 27 Cb -0.42 -0.88 0.06 0.00 0.01 0.00 0.00 72.50 71.27 2ctf s THR 27 CO 0.35 0.31 -0.05 -0.69 -0.69 0.00 0.00 174.62 173.85 2ctf s VAL 28 N 0.75 1.50 0.21 3.82 1.01 -1.26 -2.22 120.40 124.21 2ctf s VAL 28 Ca -0.13 -1.22 0.03 0.00 0.00 0.00 0.00 61.98 60.65 2ctf s VAL 28 Cb -0.15 -1.78 -0.05 0.00 0.00 0.00 0.00 36.38 34.39 2ctf s VAL 28 CO 0.02 -0.13 0.01 -0.44 0.00 0.00 0.00 175.10 174.57 2ctf s SER 29 N 1.41 1.52 0.22 3.32 0.01 -0.88 -4.95 113.70 114.33 2ctf s SER 29 Ca -0.05 -1.22 0.11 0.00 1.31 0.00 0.00 55.95 56.10 2ctf s SER 29 Cb -0.19 0.07 -0.05 0.00 0.21 0.00 0.00 66.02 66.07 2ctf s SER 29 CO -0.07 -0.56 -0.22 -0.94 0.41 0.00 0.00 173.24 171.86 2ctf s SER 30 N -3.26 3.41 -0.17 2.44 1.04 -1.26 0.39 113.70 116.29 2ctf s SER 30 Ca 0.28 -0.92 0.01 0.00 0.48 0.00 0.00 55.95 55.80 2ctf s SER 30 Cb 0.06 -0.26 0.01 0.00 0.10 0.00 0.00 66.02 65.94 2ctf s SER 30 CO 0.08 0.08 -0.19 -0.69 0.98 0.00 0.00 173.24 173.50 2ctf s VAL 31 N -1.96 2.19 -0.33 5.02 1.01 0.94 -4.95 120.40 122.31 2ctf s VAL 31 Ca 0.23 -0.91 -0.31 0.00 0.00 0.00 0.00 61.98 60.99 2ctf s VAL 31 Cb -0.07 -1.92 -0.09 0.00 0.00 0.00 0.00 36.38 34.31 2ctf s VAL 31 CO 0.11 0.53 2.24 0.00 0.00 0.00 0.00 175.10 177.98 2ctf n ALA 32 N 4.47 1.31 -3.17 5.51 0.00 -1.26 -2.55 120.51 124.81 2ctf n ALA 32 Ca -0.20 -0.22 -0.13 0.00 0.00 0.00 0.00 53.44 52.89 2ctf n ALA 32 Cb 0.51 -2.75 -0.11 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 8.22 -0.67 1.18 0.00 0.00 -1.25 -4.98 121.76 124.27 2ctf s ALA 33 Ca 1.06 0.63 -0.18 0.00 0.00 0.00 0.00 51.96 53.47 2ctf s ALA 33 Cb -0.61 -0.33 0.28 0.00 0.00 0.00 0.00 23.12 22.46 2ctf s ALA 33 CO 0.42 -0.16 1.11 -1.25 0.00 0.00 0.00 175.76 175.88 2ctf s PRO 34 N -0.20 -1.04 0.00 0.00 0.04 -1.26 -3.53 135.00 129.00 2ctf s PRO 34 Ca -0.03 -0.00 0.00 0.00 0.04 0.00 0.00 61.00 61.01 2ctf s PRO 34 Cb -0.03 -1.61 0.00 0.00 0.04 0.00 0.00 34.50 32.90 2ctf s PRO 34 CO 0.01 -3.61 0.00 0.45 0.04 0.00 0.00 177.00 173.89 2ctf n SER 35 N -4.70 4.67 0.17 6.66 2.88 -1.26 -4.63 113.62 117.41 2ctf n SER 35 Ca 0.12 0.00 0.12 0.00 -1.33 0.00 0.00 58.87 57.78 2ctf n SER 35 Cb 0.59 0.90 0.60 0.00 -0.75 0.00 0.00 64.21 65.55 2ctf n SER 35 CO 0.00 0.00 0.00 -2.67 -1.23 0.00 0.00 175.04 171.14 2ctf n TRP 36 N -1.44 0.78 -1.46 0.66 4.27 -1.26 -1.04 117.44 117.95 2ctf n TRP 36 Ca 0.00 0.39 -0.00 0.00 -3.89 0.00 0.00 57.50 54.00 2ctf n TRP 36 Cb 0.03 -1.13 0.20 0.00 -1.36 0.00 0.00 31.31 29.06 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 -2.29 3.62 -0.08 5.67 -0.00 -1.26 -4.70 117.00 117.95 2ctf n LEU 37 Ca -0.01 -3.76 -0.12 0.00 -0.00 0.00 0.00 56.01 52.13 2ctf n LEU 37 Cb 0.06 -0.59 -0.05 0.00 -0.00 0.00 0.00 43.42 42.84 2ctf n LEU 37 CO 0.11 1.26 0.69 0.45 -0.00 0.00 0.00 177.39 179.90 2ctf h HIS 38 N 1.00 0.55 0.00 1.47 3.86 -1.37 0.20 115.15 120.85 2ctf h HIS 38 Ca 0.14 -0.12 0.00 0.00 -1.16 0.00 0.00 60.37 59.22 2ctf h HIS 38 Cb 1.43 -0.13 0.00 0.00 1.06 0.00 0.00 27.41 29.76 2ctf h HIS 38 CO 0.89 0.72 0.03 0.07 0.86 0.00 0.00 177.93 180.50 2ctf h ARG 39 N 0.22 0.00 0.00 2.45 0.11 -1.84 -0.50 114.38 114.82 2ctf h ARG 39 Ca 0.06 0.00 -0.39 0.00 0.10 0.00 0.00 59.98 59.75 2ctf h ARG 39 Cb 0.56 0.00 -0.07 0.00 1.11 0.00 0.00 29.97 31.57 2ctf h ARG 39 CO 0.03 0.00 -2.42 1.19 0.10 0.00 0.00 179.97 178.87 2ctf n PHE 40 N -2.53 0.00 0.24 4.08 3.72 -0.99 -3.42 117.46 118.56 2ctf n PHE 40 Ca -0.02 0.00 0.06 0.00 -0.05 0.00 0.00 57.45 57.44 2ctf n PHE 40 Cb 0.07 -0.94 0.55 0.00 -0.94 0.00 0.00 39.48 38.22 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 -0.29 1.08 0.05 4.37 2.10 -0.13 -3.05 117.51 121.64 2ctf h ILE 41 Ca -0.58 -0.41 -0.19 0.00 1.08 0.00 0.00 64.86 64.75 2ctf h ILE 41 Cb 1.77 1.22 -0.01 0.00 -1.09 0.00 0.00 36.82 38.71 2ctf h ILE 41 CO -0.18 0.12 -0.99 0.40 -1.08 0.00 0.00 178.15 176.41 2ctf h ILE 42 N 0.00 1.19 0.00 2.19 2.04 -1.32 -3.41 117.51 118.21 2ctf h ILE 42 Ca -0.00 -2.31 0.00 0.00 1.00 0.00 0.00 64.86 63.55 2ctf h ILE 42 Cb 0.21 2.72 0.00 0.00 -0.74 0.00 0.00 36.82 39.01 2ctf h ILE 42 CO 0.02 0.54 0.00 0.61 0.00 0.00 0.00 178.15 179.32 2ctf n GLY 43 N 1.60 2.99 0.33 5.37 0.00 -1.15 -3.81 105.19 110.52 2ctf n GLY 43 Ca -0.24 -1.82 0.14 0.00 0.00 0.00 0.00 46.02 44.11 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 0.04 0.00 1.61 3.64 -1.89 -3.30 116.57 116.67 2ctf h LYS 44 Ca 0.00 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 2ctf h LYS 44 Cb 0.00 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 31.81 2ctf h LYS 44 CO 0.00 0.03 -0.93 1.17 -2.27 0.00 0.00 179.45 177.44 2ctf n LYS 45 N -5.44 0.00 0.00 1.90 3.00 -1.26 -5.07 118.16 111.29 2ctf n LYS 45 Ca 0.22 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.53 2ctf n LYS 45 Cb 0.73 -0.68 0.00 0.00 0.00 0.00 0.00 35.03 35.08 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 3.10 -0.72 0.11 3.14 0.00 -1.25 -5.08 105.19 104.49 2ctf n GLY 46 Ca 0.00 0.01 -0.13 0.00 0.00 0.00 0.00 46.02 45.90 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 0.00 0.45 -0.35 1.61 3.00 -1.25 -3.65 117.38 117.19 2ctf n GLN 47 Ca 0.00 0.11 -0.03 0.00 -0.01 0.00 0.00 57.00 57.07 2ctf n GLN 47 Cb 0.00 -1.36 0.10 0.00 0.00 0.00 0.00 30.24 28.98 2ctf n GLN 47 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.06 176.15 2ctf h ASN 48 N -0.04 1.08 0.00 1.08 2.35 -1.88 -1.56 115.58 116.62 2ctf h ASN 48 Ca -0.41 -0.03 -0.01 0.00 -0.55 0.00 0.00 56.30 55.30 2ctf h ASN 48 Cb 1.62 -0.27 -0.00 0.00 0.05 0.00 0.00 38.32 39.72 2ctf h ASN 48 CO -0.08 0.78 -0.07 -0.07 -1.65 0.00 0.00 177.43 176.35 2ctf h LEU 49 N 1.28 0.00 -0.84 1.61 3.38 -1.79 -3.25 115.31 115.70 2ctf h LEU 49 Ca 0.35 -0.79 0.21 0.00 0.09 0.00 0.00 57.88 57.74 2ctf h LEU 49 Cb -0.14 0.00 -0.14 0.00 0.09 0.00 0.00 40.66 40.47 2ctf h LEU 49 CO -0.08 0.93 0.15 0.00 0.09 0.00 0.00 178.44 179.54 2ctf h ALA 50 N -0.21 1.11 0.62 1.53 0.00 -1.62 -0.54 119.26 120.16 2ctf h ALA 50 Ca -0.02 0.23 -0.02 0.00 0.00 0.00 0.00 54.91 55.10 2ctf h ALA 50 Cb 0.83 0.36 -0.01 0.00 0.00 0.00 0.00 17.79 18.97 2ctf h ALA 50 CO -0.01 -0.45 -0.42 0.87 0.00 0.00 0.00 179.25 179.23 2ctf h LYS 51 N 0.17 -0.96 -0.12 0.00 1.57 -1.41 0.50 116.57 116.32 2ctf h LYS 51 Ca 0.51 0.07 0.04 0.00 -1.87 0.00 0.00 60.65 59.40 2ctf h LYS 51 Cb 0.99 0.22 -0.06 0.00 0.08 0.00 0.00 32.23 33.45 2ctf h LYS 51 CO -0.67 -0.64 -0.41 0.82 -0.57 0.00 0.00 179.45 177.98 2ctf h ILE 52 N -1.00 0.15 -0.42 1.86 2.04 -1.26 -0.60 117.51 118.29 2ctf h ILE 52 Ca -0.08 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.79 2ctf h ILE 52 Cb 0.82 0.15 -0.02 0.00 -0.74 0.00 0.00 36.82 37.04 2ctf h ILE 52 CO 0.05 0.00 0.28 0.00 0.00 0.00 0.00 178.15 178.48 2ctf h THR 53 N -0.49 1.11 -0.71 -0.27 1.03 -1.08 -2.07 112.91 110.42 2ctf h THR 53 Ca 0.07 -0.21 0.05 0.00 -0.01 0.00 0.00 66.41 66.32 2ctf h THR 53 Cb 0.62 0.49 -0.05 0.00 -1.07 0.00 0.00 68.15 68.14 2ctf h THR 53 CO -0.39 0.11 0.42 -0.61 -0.01 0.00 0.00 175.52 175.04 2ctf h GLN 54 N 0.57 0.76 -0.01 0.00 4.15 0.15 0.12 115.11 120.87 2ctf h GLN 54 Ca 0.15 -0.05 -0.15 0.00 0.77 0.00 0.00 58.65 59.38 2ctf h GLN 54 Cb -0.06 -0.17 -0.02 0.00 0.21 0.00 0.00 27.48 27.44 2ctf h GLN 54 CO -0.03 0.51 -0.71 0.37 -1.93 0.00 0.00 178.83 177.03 2ctf h GLN 55 N 0.79 0.04 -2.60 1.69 4.15 -0.74 -3.38 115.11 115.07 2ctf h GLN 55 Ca 0.30 -0.04 -0.60 0.00 0.77 0.00 0.00 58.65 59.09 2ctf h GLN 55 Cb 0.13 0.01 -0.39 0.00 0.21 0.00 0.00 27.48 27.44 2ctf h GLN 55 CO -0.16 0.74 -0.85 -1.64 -1.93 0.00 0.00 178.83 174.99 2ctf s MET 56 N -3.43 1.29 0.40 1.69 -1.94 -0.70 -4.95 119.30 111.67 2ctf s MET 56 Ca -0.01 -2.36 0.29 0.00 -1.71 0.00 0.00 55.69 51.89 2ctf s MET 56 Cb 0.12 -1.97 1.19 0.00 2.01 0.00 0.00 34.83 36.18 2ctf s MET 56 CO 0.78 -1.34 1.85 -1.00 -0.01 0.00 0.00 175.02 175.30 2ctf h PRO 57 N 5.74 0.00 0.00 2.03 0.13 -1.19 -2.72 132.00 135.98 2ctf h PRO 57 Ca 0.21 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 65.26 2ctf h PRO 57 Cb 0.88 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.99 2ctf h PRO 57 CO 0.46 0.00 -0.37 0.87 -0.23 0.00 0.00 178.00 178.72 2ctf h LYS 58 N 0.00 0.00 -5.58 0.86 1.57 -1.92 -3.42 116.57 108.08 2ctf h LYS 58 Ca 0.00 0.00 -0.60 0.00 -1.87 0.00 0.00 60.65 58.18 2ctf h LYS 58 Cb 0.41 0.00 -0.10 0.00 0.08 0.00 0.00 32.23 32.62 2ctf h LYS 58 CO 0.00 0.37 0.00 0.08 -0.57 0.00 0.00 179.45 179.34 2ctf s VAL 59 N -3.60 5.08 -0.39 0.50 1.01 -1.03 -4.34 120.40 117.63 2ctf s VAL 59 Ca 0.00 1.02 -0.15 0.00 0.00 0.00 0.00 61.98 62.85 2ctf s VAL 59 Cb 0.11 -3.87 0.01 0.00 0.00 0.00 0.00 36.38 32.63 2ctf s VAL 59 CO 0.69 0.16 0.32 -1.00 0.00 0.00 0.00 175.10 175.27 2ctf s HIS 60 N 1.69 3.22 -0.05 5.22 3.76 -0.24 -4.91 115.29 123.98 2ctf s HIS 60 Ca 0.25 -0.41 -0.23 0.00 -0.15 0.00 0.00 55.06 54.53 2ctf s HIS 60 Cb -0.16 -2.63 -0.04 0.00 1.11 0.00 0.00 32.58 30.86 2ctf s HIS 60 CO 0.10 -0.55 0.70 0.42 -0.85 0.00 0.00 174.74 174.56 2ctf s ILE 61 N 1.82 5.01 0.14 0.60 1.01 -1.26 -2.73 121.20 125.79 2ctf s ILE 61 Ca 0.07 1.45 0.10 0.00 0.00 0.00 0.00 60.65 62.27 2ctf s ILE 61 Cb -0.18 -4.04 -0.04 0.00 0.01 0.00 0.00 42.46 38.21 2ctf s ILE 61 CO 0.11 0.27 -0.24 -0.70 0.00 0.00 0.00 174.94 174.39 2ctf s GLU 62 N 0.67 1.32 -0.13 2.79 2.12 -0.60 -4.99 118.70 119.88 2ctf s GLU 62 Ca 0.37 -1.33 -0.02 0.00 0.36 0.00 0.00 54.97 54.36 2ctf s GLU 62 Cb -0.18 -1.66 0.04 0.00 0.26 0.00 0.00 34.13 32.59 2ctf s GLU 62 CO 0.18 0.38 -0.01 -0.06 -0.54 0.00 0.00 175.26 175.22 2ctf s PHE 63 N -1.32 1.02 -0.13 5.30 0.08 -1.26 -3.06 117.98 118.62 2ctf s PHE 63 Ca 0.13 -0.58 0.03 0.00 0.12 0.00 0.00 56.93 56.63 2ctf s PHE 63 Cb -0.09 -1.00 0.00 0.00 -0.57 0.00 0.00 43.02 41.37 2ctf s PHE 63 CO 0.06 -0.48 -0.21 0.99 -0.10 0.00 0.00 175.22 175.48 2ctf s THR 64 N 1.86 2.19 0.00 0.64 2.01 -1.18 -5.06 115.64 116.10 2ctf s THR 64 Ca 0.03 -0.95 0.00 0.00 0.31 0.00 0.00 61.69 61.08 2ctf s THR 64 Cb -0.14 -1.87 0.00 0.00 0.01 0.00 0.00 72.50 70.50 2ctf s THR 64 CO -0.07 0.55 0.50 1.21 -0.69 0.00 0.00 174.62 176.12 2ctf n GLU 65 N 3.88 0.00 -0.36 4.92 2.13 -1.26 -1.04 120.64 128.90 2ctf n GLU 65 Ca -0.19 0.28 -0.10 0.00 0.66 0.00 0.00 57.16 57.81 2ctf n GLU 65 Cb 0.52 -1.10 -0.09 0.00 0.27 0.00 0.00 31.44 31.04 2ctf n GLU 65 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2ctf n GLY 66 N 0.29 -2.63 0.32 8.31 0.00 -1.26 0.18 105.19 110.41 2ctf n GLY 66 Ca 0.00 1.10 0.19 0.00 0.00 0.00 0.00 46.02 47.32 2ctf n GLY 66 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2ctf h GLU 67 N 0.00 0.00 -6.62 1.61 5.08 -2.01 -3.46 114.58 109.19 2ctf h GLU 67 Ca 0.14 0.00 -0.52 0.00 -1.00 0.00 0.00 59.36 57.97 2ctf h GLU 67 Cb 0.36 0.00 -0.09 0.00 0.50 0.00 0.00 28.75 29.52 2ctf h GLU 67 CO -0.82 0.00 -0.90 -0.40 -1.00 0.00 0.00 179.01 175.89 2ctf n ASP 68 N -3.40 -0.08 -3.76 1.42 5.68 0.49 -4.95 116.55 111.95 2ctf n ASP 68 Ca -0.03 -1.06 -0.10 0.00 -0.50 0.00 0.00 54.79 53.10 2ctf n ASP 68 Cb 0.08 -2.76 -0.07 0.00 -1.14 0.00 0.00 41.12 37.24 2ctf n ASP 68 CO 0.00 0.00 0.00 -1.59 -1.33 0.00 0.00 177.20 174.28 2ctf s LYS 69 N -6.72 0.88 -0.24 0.11 -2.85 -1.17 -3.96 119.74 105.79 2ctf s LYS 69 Ca 0.01 -0.70 -0.07 0.00 -1.00 0.00 0.00 55.97 54.21 2ctf s LYS 69 Cb -0.01 0.38 -0.02 0.00 -2.06 0.00 0.00 37.83 36.11 2ctf s LYS 69 CO 0.91 -0.30 0.05 0.42 0.10 0.00 0.00 175.35 176.53 2ctf s ILE 70 N -3.28 4.14 -0.04 3.79 1.01 -1.06 -3.08 121.20 122.68 2ctf s ILE 70 Ca 0.00 -0.23 -0.14 0.00 0.00 0.00 0.00 60.65 60.28 2ctf s ILE 70 Cb 0.02 -2.92 -0.05 0.00 0.01 0.00 0.00 42.46 39.51 2ctf s ILE 70 CO -0.08 0.36 0.36 -0.89 0.00 0.00 0.00 174.94 174.69 2ctf s THR 71 N 1.53 5.14 -0.04 2.92 2.01 -1.17 -0.04 115.64 125.97 2ctf s THR 71 Ca 0.06 0.72 0.06 0.00 0.31 0.00 0.00 61.69 62.84 2ctf s THR 71 Cb -0.15 -3.66 -0.01 0.00 0.01 0.00 0.00 72.50 68.69 2ctf s THR 71 CO 0.02 0.55 -0.22 -0.76 -0.69 0.00 0.00 174.62 173.52 2ctf s LEU 72 N -0.82 2.02 -0.06 4.42 2.01 0.16 -1.55 118.68 124.85 2ctf s LEU 72 Ca 0.22 -0.44 0.02 0.00 0.01 0.00 0.00 54.13 53.94 2ctf s LEU 72 Cb -0.16 -1.21 0.01 0.00 0.01 0.00 0.00 46.19 44.85 2ctf s LEU 72 CO 0.11 0.23 -0.11 -0.70 1.01 0.00 0.00 176.35 176.89 2ctf s GLU 73 N -0.19 1.55 0.00 1.70 2.12 -1.10 -2.08 118.70 120.69 2ctf s GLU 73 Ca -0.01 -0.36 0.00 0.00 0.36 0.00 0.00 54.97 54.96 2ctf s GLU 73 Cb -0.12 -1.30 0.00 0.00 0.26 0.00 0.00 34.13 32.97 2ctf s GLU 73 CO 0.02 0.01 0.00 0.41 -0.54 0.00 0.00 175.26 175.16 2ctf n GLY 74 N 3.85 -0.09 3.71 -1.50 0.00 -0.94 -1.08 105.19 109.14 2ctf n GLY 74 Ca -0.23 -1.61 -0.42 0.00 0.00 0.00 0.00 46.02 43.75 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 -1.98 4.32 0.32 1.61 0.04 -1.26 -0.00 135.00 138.05 2ctf s PRO 75 Ca 0.00 2.03 0.06 0.00 0.04 0.00 0.00 61.00 63.13 2ctf s PRO 75 Cb 0.00 -3.34 0.90 0.00 0.04 0.00 0.00 34.50 32.10 2ctf s PRO 75 CO 0.00 -0.46 1.57 0.00 0.04 0.00 0.00 177.00 178.16 2ctf h THR 76 N 4.44 0.02 -0.75 1.26 1.03 -1.81 0.77 112.91 117.87 2ctf h THR 76 Ca -0.41 -0.00 0.17 0.00 -0.01 0.00 0.00 66.41 66.15 2ctf h THR 76 Cb 1.20 0.01 -0.12 0.00 -1.07 0.00 0.00 68.15 68.17 2ctf h THR 76 CO 0.87 0.00 0.17 1.05 -0.01 0.00 0.00 175.52 177.60 2ctf h GLU 77 N 0.01 0.24 0.07 0.00 4.11 -1.90 0.15 114.58 117.26 2ctf h GLU 77 Ca 0.66 -0.01 -0.14 0.00 0.07 0.00 0.00 59.36 59.94 2ctf h GLU 77 Cb 1.48 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 30.68 2ctf h GLU 77 CO -0.88 0.16 -0.66 -0.44 0.07 0.00 0.00 179.01 177.26 2ctf h ASP 78 N 0.25 0.24 -0.94 3.06 5.19 0.01 -3.31 116.42 120.92 2ctf h ASP 78 Ca 0.43 -0.91 0.23 0.00 -0.62 0.00 0.00 57.03 56.16 2ctf h ASP 78 Cb 0.76 -0.08 -0.13 0.00 0.18 0.00 0.00 39.33 40.06 2ctf h ASP 78 CO -0.54 1.30 0.48 0.58 -3.12 0.00 0.00 179.24 177.93 2ctf h VAL 79 N -0.65 0.49 0.00 -1.35 2.07 -0.10 0.89 116.25 117.59 2ctf h VAL 79 Ca -0.14 -0.16 -0.04 0.00 0.82 0.00 0.00 66.70 67.19 2ctf h VAL 79 Cb 1.39 -0.01 -0.01 0.00 -1.52 0.00 0.00 31.29 31.14 2ctf h VAL 79 CO 0.05 0.08 -0.18 -1.28 0.02 0.00 0.00 177.57 176.26 2ctf h SER 80 N 0.46 0.00 0.12 0.57 0.87 -0.85 0.25 113.55 114.98 2ctf h SER 80 Ca 0.60 0.00 -0.27 0.00 -1.23 0.00 0.00 61.79 60.89 2ctf h SER 80 Cb 1.15 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 63.11 2ctf h SER 80 CO -0.51 0.18 -1.37 0.58 -0.53 0.00 0.00 176.83 175.18 2ctf h VAL 81 N 0.00 1.08 -0.19 2.23 2.07 0.52 -3.07 116.25 118.89 2ctf h VAL 81 Ca -0.00 -2.42 -0.08 0.00 0.82 0.00 0.00 66.70 65.02 2ctf h VAL 81 Cb 0.40 2.77 -0.00 0.00 -1.52 0.00 0.00 31.29 32.93 2ctf h VAL 81 CO 0.02 0.71 -0.18 0.00 0.02 0.00 0.00 177.57 178.14 2ctf h ALA 82 N -0.03 0.27 -0.75 1.67 0.00 -0.40 -2.10 119.26 117.93 2ctf h ALA 82 Ca -0.29 -0.35 -0.03 0.00 0.00 0.00 0.00 54.91 54.24 2ctf h ALA 82 Cb 1.76 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 19.46 2ctf h ALA 82 CO 0.07 0.19 0.35 -0.56 0.00 0.00 0.00 179.25 179.30 2ctf h GLN 83 N 0.12 1.08 -0.22 0.00 3.07 -0.69 -2.54 115.11 115.93 2ctf h GLN 83 Ca 0.03 -0.16 -0.04 0.00 0.09 0.00 0.00 58.65 58.57 2ctf h GLN 83 Cb 0.72 -0.20 -0.01 0.00 0.08 0.00 0.00 27.48 28.08 2ctf h GLN 83 CO 0.05 0.85 -0.01 1.49 0.09 0.00 0.00 178.83 181.30 2ctf h GLU 84 N 1.07 0.40 -0.37 0.06 4.81 -1.51 -2.22 114.58 116.82 2ctf h GLU 84 Ca 0.26 -0.13 0.07 0.00 -0.13 0.00 0.00 59.36 59.43 2ctf h GLU 84 Cb 0.13 -0.03 -0.06 0.00 0.63 0.00 0.00 28.75 29.41 2ctf h GLU 84 CO -0.03 0.59 -0.03 1.96 -0.73 0.00 0.00 179.01 180.77 2ctf h GLN 85 N 0.16 0.07 -0.78 1.92 4.20 -1.15 -1.29 115.11 118.23 2ctf h GLN 85 Ca 0.06 -0.00 -0.02 0.00 0.06 0.00 0.00 58.65 58.75 2ctf h GLN 85 Cb 0.41 -0.01 -0.04 0.00 0.30 0.00 0.00 27.48 28.14 2ctf h GLN 85 CO 0.01 0.04 0.41 0.82 -0.67 0.00 0.00 178.83 179.44 2ctf h ILE 86 N 0.07 1.23 0.00 2.54 2.04 -1.42 -1.49 117.51 120.49 2ctf h ILE 86 Ca 0.18 -0.61 -0.01 0.00 1.00 0.00 0.00 64.86 65.43 2ctf h ILE 86 Cb 0.26 0.20 -0.00 0.00 -0.74 0.00 0.00 36.82 36.54 2ctf h ILE 86 CO -0.33 0.27 -0.03 -0.33 0.00 0.00 0.00 178.15 177.72 2ctf h GLU 87 N 1.10 0.00 0.05 2.37 5.08 -0.61 -1.29 114.58 121.27 2ctf h GLU 87 Ca 0.27 0.00 -0.18 0.00 -1.00 0.00 0.00 59.36 58.45 2ctf h GLU 87 Cb 0.05 0.00 0.02 0.00 0.50 0.00 0.00 28.75 29.32 2ctf h GLU 87 CO -0.04 0.03 -0.74 0.78 -1.00 0.00 0.00 179.01 178.04 2ctf h GLY 88 N 0.33 0.47 2.00 -3.84 0.00 -0.61 -2.78 103.07 98.64 2ctf h GLY 88 Ca -0.00 -0.92 -0.00 0.00 0.00 0.00 0.00 47.33 46.41 2ctf h GLY 88 CO 0.00 0.81 -0.01 0.00 0.00 0.00 0.00 176.54 177.34 2ctf h MET 89 N -0.11 0.00 0.01 4.80 -0.00 -1.32 -2.22 114.93 116.10 2ctf h MET 89 Ca -0.11 0.00 -0.05 0.00 -0.00 0.00 0.00 59.70 59.55 2ctf h MET 89 Cb 1.48 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 33.08 2ctf h MET 89 CO 0.14 0.01 -0.19 0.28 -0.00 0.00 0.00 176.91 177.15 2ctf h VAL 90 N 0.00 1.63 0.00 -0.10 2.07 -1.29 -1.03 116.25 117.53 2ctf h VAL 90 Ca -0.00 -2.09 -0.11 0.00 0.82 0.00 0.00 66.70 65.32 2ctf h VAL 90 Cb 0.74 3.00 -0.02 0.00 -1.52 0.00 0.00 31.29 33.50 2ctf h VAL 90 CO 0.00 0.56 -0.51 0.50 0.02 0.00 0.00 177.57 178.15 2ctf h LYS 91 N -0.67 0.00 0.20 1.57 1.63 -1.52 -2.49 116.57 115.29 2ctf h LYS 91 Ca -0.03 0.00 -0.32 0.00 -0.85 0.00 0.00 60.65 59.45 2ctf h LYS 91 Cb 1.03 0.00 0.03 0.00 -0.60 0.00 0.00 32.23 32.69 2ctf h LYS 91 CO 0.04 0.51 -1.39 0.22 -3.45 0.00 0.00 179.45 175.38 2ctf h ASP 92 N 0.00 0.81 -0.22 4.20 1.82 -1.49 -2.29 116.42 119.25 2ctf h ASP 92 Ca -0.01 -0.83 -0.07 0.00 -0.39 0.00 0.00 57.03 55.74 2ctf h ASP 92 Cb 0.95 -0.26 -0.02 0.00 0.68 0.00 0.00 39.33 40.68 2ctf h ASP 92 CO 0.07 1.64 -0.07 -0.07 -1.61 0.00 0.00 179.24 179.20 2ctf h LEU 93 N 0.18 0.55 0.10 2.28 3.38 -1.13 -0.92 115.31 119.75 2ctf h LEU 93 Ca -0.22 -0.13 -0.29 0.00 0.09 0.00 0.00 57.88 57.32 2ctf h LEU 93 Cb 2.08 -0.14 0.03 0.00 0.09 0.00 0.00 40.66 42.71 2ctf h LEU 93 CO 0.26 0.66 -1.24 0.40 0.09 0.00 0.00 178.44 178.62 2ctf h ILE 94 N 0.53 1.31 -0.48 1.22 2.04 -1.52 -1.49 117.51 119.11 2ctf h ILE 94 Ca 0.10 -2.51 -0.08 0.00 1.00 0.00 0.00 64.86 63.37 2ctf h ILE 94 Cb 0.44 2.70 -0.02 0.00 -0.74 0.00 0.00 36.82 39.21 2ctf h ILE 94 CO 0.02 0.76 -0.01 0.78 0.00 0.00 0.00 178.15 179.70 2ctf h ASN 95 N 0.26 0.79 1.39 1.72 2.35 -1.24 -2.58 115.58 118.26 2ctf h ASN 95 Ca -0.18 -0.20 0.00 0.00 -0.55 0.00 0.00 56.30 55.37 2ctf h ASN 95 Cb 1.91 -0.21 0.00 0.00 0.05 0.00 0.00 38.32 40.07 2ctf h ASN 95 CO 0.23 0.86 -0.40 0.08 -1.65 0.00 0.00 177.43 176.55 2ctf h ARG 96 N 0.76 0.00 -6.08 0.81 -0.00 -1.24 -3.43 114.38 105.21 2ctf h ARG 96 Ca 0.14 0.00 -0.51 0.00 -0.00 0.00 0.00 59.98 59.62 2ctf h ARG 96 Cb 0.48 0.00 -0.07 0.00 -0.00 0.00 0.00 29.97 30.38 2ctf h ARG 96 CO 0.02 0.00 1.20 -1.12 -0.00 0.00 0.00 179.97 180.07 2ctf s SER 97 N -5.24 5.95 0.00 0.08 0.01 -0.56 -4.82 113.70 109.12 2ctf s SER 97 Ca 0.05 -0.75 0.00 0.00 1.31 0.00 0.00 55.95 56.57 2ctf s SER 97 Cb 0.09 -2.56 0.00 0.00 0.21 0.00 0.00 66.02 63.76 2ctf s SER 97 CO 0.70 -1.98 0.00 0.61 0.41 0.00 0.00 173.24 172.98 2ctf n GLY 98 N 6.29 3.96 0.17 3.44 0.00 -1.26 -4.93 105.19 112.86 2ctf n GLY 98 Ca 0.24 -1.00 0.02 0.00 0.00 0.00 0.00 46.02 45.27 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 -6.23 1.61 0.13 -1.97 -3.45 132.00 122.09 2ctf h PRO 99 Ca 0.00 0.00 -0.61 0.00 -0.87 0.00 0.00 66.00 64.52 2ctf h PRO 99 Cb 0.00 0.00 0.15 0.00 0.13 0.00 0.00 31.00 31.28 2ctf h PRO 99 CO 0.00 0.47 -0.61 0.43 -0.23 0.00 0.00 178.00 178.06 2ctf n SER 100 N -3.91 -1.65 -3.75 1.44 7.64 -1.26 -4.99 113.62 107.14 2ctf n SER 100 Ca -0.01 0.85 -0.13 0.00 1.01 0.00 0.00 58.87 60.59 2ctf n SER 100 Cb 0.50 -1.03 -0.13 0.00 -1.01 0.00 0.00 64.21 62.53 2ctf n SER 100 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2ctf s SER 101 N -0.99 -0.19 0.00 6.43 0.01 -1.26 -5.07 113.70 112.63 2ctf s SER 101 Ca 0.62 0.41 0.00 0.00 1.31 0.00 0.00 55.95 58.29 2ctf s SER 101 Cb -0.59 0.31 0.00 0.00 0.21 0.00 0.00 66.02 65.95 2ctf s SER 101 CO 0.59 -0.14 0.00 0.61 0.41 0.00 0.00 173.24 174.72