#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 0.08 0.03 1.61 0.01 -1.26 -5.16 113.70 109.01 2ctf s SER 2 Ca 0.00 -0.19 0.09 0.00 1.31 0.00 0.00 55.95 57.16 2ctf s SER 2 Cb 0.00 0.11 -0.03 0.00 0.21 0.00 0.00 66.02 66.31 2ctf s SER 2 CO 0.00 -0.17 -0.25 -0.44 0.41 0.00 0.00 173.24 172.79 2ctf s SER 3 N -0.74 2.98 0.10 2.44 0.01 -1.26 -5.06 113.70 112.17 2ctf s SER 3 Ca -0.08 -0.55 0.00 0.00 1.31 0.00 0.00 55.95 56.63 2ctf s SER 3 Cb -0.05 -0.28 0.00 0.00 0.21 0.00 0.00 66.02 65.90 2ctf s SER 3 CO -0.00 0.25 0.00 0.61 0.41 0.00 0.00 173.24 174.51 2ctf n GLY 4 N 1.94 -2.82 0.23 3.44 0.00 -1.26 -4.96 105.19 101.76 2ctf n GLY 4 Ca -0.17 -1.34 -0.06 0.00 0.00 0.00 0.00 46.02 44.45 2ctf n GLY 4 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2ctf n SER 5 N -2.21 2.64 -3.84 1.61 3.41 -1.26 -5.03 113.62 108.94 2ctf n SER 5 Ca -0.01 -0.00 -0.25 0.00 -0.26 0.00 0.00 58.87 58.34 2ctf n SER 5 Cb 0.10 -0.16 0.01 0.00 -0.26 0.00 0.00 64.21 63.91 2ctf n SER 5 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 2ctf n SER 6 N -2.90 -1.97 0.00 4.04 7.64 -1.26 -4.80 113.62 114.37 2ctf n SER 6 Ca -0.15 -0.87 0.00 0.00 1.01 0.00 0.00 58.87 58.87 2ctf n SER 6 Cb 0.64 -3.70 0.00 0.00 -1.01 0.00 0.00 64.21 60.14 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 -1.69 0.92 4.19 0.23 0.00 -1.26 -5.03 105.19 102.56 2ctf n GLY 7 Ca -0.20 0.41 -0.32 0.00 0.00 0.00 0.00 46.02 45.91 2ctf n GLY 7 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2ctf n GLU 8 N 0.00 -1.36 -0.32 1.61 2.13 -1.26 -4.93 120.64 116.52 2ctf n GLU 8 Ca 0.00 0.17 -0.09 0.00 0.66 0.00 0.00 57.16 57.89 2ctf n GLU 8 Cb 0.00 -3.66 0.08 0.00 0.27 0.00 0.00 31.44 28.13 2ctf n GLU 8 CO 0.00 0.00 0.00 -0.35 -0.41 0.00 0.00 177.13 176.37 2ctf n PRO 9 N -4.60 -1.68 -2.66 5.31 -0.04 -1.26 -4.96 135.00 125.11 2ctf n PRO 9 Ca -0.29 -0.54 -0.43 0.00 -0.04 0.00 0.00 63.50 62.20 2ctf n PRO 9 Cb 0.68 -0.50 -0.02 0.00 -0.04 0.00 0.00 33.50 33.61 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 -3.76 4.20 -0.20 0.54 8.01 -1.26 -4.99 118.70 121.24 2ctf s GLU 10 Ca 0.22 1.27 -0.29 0.00 0.01 0.00 0.00 54.97 56.18 2ctf s GLU 10 Cb -0.02 -3.67 0.13 0.00 -4.31 0.00 0.00 34.13 26.26 2ctf s GLU 10 CO 0.17 -0.70 1.04 0.21 0.01 0.00 0.00 175.26 175.98 2ctf s LYS 11 N 3.31 0.53 -0.07 1.61 2.47 -1.26 -5.06 119.74 121.28 2ctf s LYS 11 Ca 0.44 0.24 0.05 0.00 -1.56 0.00 0.00 55.97 55.14 2ctf s LYS 11 Cb -0.14 0.25 -0.08 0.00 -1.46 0.00 0.00 37.83 36.40 2ctf s LYS 11 CO 0.09 -0.14 0.01 1.47 0.16 0.00 0.00 175.35 176.93 2ctf n LEU 12 N 1.08 0.35 -1.41 5.43 -0.00 -1.26 -5.13 117.00 116.05 2ctf n LEU 12 Ca -0.10 -0.01 0.00 0.00 -0.00 0.00 0.00 56.01 55.90 2ctf n LEU 12 Cb 0.57 0.11 0.00 0.00 -0.00 0.00 0.00 43.42 44.10 2ctf n LEU 12 CO 0.12 0.21 -0.41 0.61 -0.00 0.00 0.00 177.39 177.92 2ctf n GLY 13 N 2.66 -4.30 3.57 1.47 0.00 -1.26 -5.08 105.19 102.24 2ctf n GLY 13 Ca -0.11 -0.80 -0.10 0.00 0.00 0.00 0.00 46.02 45.01 2ctf n GLY 13 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2ctf s GLN 14 N -4.37 0.63 -0.28 1.61 -2.07 -1.26 -5.18 119.66 108.74 2ctf s GLN 14 Ca 0.00 0.08 -0.25 0.00 -1.82 0.00 0.00 55.36 53.37 2ctf s GLN 14 Cb 0.00 0.29 0.12 0.00 -1.09 0.00 0.00 33.01 32.33 2ctf s GLN 14 CO 0.00 -0.21 0.99 0.00 -1.32 0.00 0.00 175.29 174.75 2ctf s ALA 15 N -1.43 -1.96 -0.33 2.60 0.00 -1.26 -5.14 121.76 114.24 2ctf s ALA 15 Ca -0.01 1.91 -0.06 0.00 0.00 0.00 0.00 51.96 53.80 2ctf s ALA 15 Cb -0.01 -1.42 0.04 0.00 0.00 0.00 0.00 23.12 21.74 2ctf s ALA 15 CO 0.00 -0.25 0.09 -0.51 0.00 0.00 0.00 175.76 175.09 2ctf s LEU 16 N 0.29 4.27 0.03 0.00 1.43 -1.26 -5.08 118.68 118.37 2ctf s LEU 16 Ca 0.02 -1.15 0.03 0.00 -1.03 0.00 0.00 54.13 52.00 2ctf s LEU 16 Cb -0.05 -1.85 -0.02 0.00 0.03 0.00 0.00 46.19 44.30 2ctf s LEU 16 CO -0.06 -0.32 -0.08 0.42 0.23 0.00 0.00 176.35 176.54 2ctf s THR 17 N 1.39 0.61 0.60 5.49 -4.23 -1.26 -5.13 115.64 113.11 2ctf s THR 17 Ca -0.02 -0.90 -0.18 0.00 -1.18 0.00 0.00 61.69 59.41 2ctf s THR 17 Cb -0.19 -0.62 -0.15 0.00 1.34 0.00 0.00 72.50 72.88 2ctf s THR 17 CO 0.02 -0.22 -0.21 -1.84 -0.54 0.00 0.00 174.62 171.83 2ctf n GLU 18 N 1.82 0.02 -0.45 3.99 0.00 -1.26 -4.85 120.64 119.91 2ctf n GLU 18 Ca -0.20 0.01 0.09 0.00 0.00 0.00 0.00 57.16 57.06 2ctf n GLU 18 Cb 0.55 -1.04 0.31 0.00 0.00 0.00 0.00 31.44 31.26 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 -1.71 1.29 0.28 3.84 0.31 -1.26 -3.94 118.33 117.13 2ctf n VAL 19 Ca 0.06 -0.96 0.03 0.00 -0.01 0.00 0.00 64.34 63.46 2ctf n VAL 19 Cb 0.49 0.23 -0.01 0.00 -0.91 0.00 0.00 33.84 33.64 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 1.17 0.00 -3.65 3.52 0.18 -1.26 -5.05 117.16 112.07 2ctf n TYR 20 Ca 0.22 0.00 -0.09 0.00 1.88 0.00 0.00 57.90 59.91 2ctf n TYR 20 Cb 0.69 0.00 -0.02 0.00 -0.38 0.00 0.00 39.34 39.63 2ctf n TYR 20 CO 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 176.86 174.78 2ctf s ALA 21 N -1.23 -1.40 -0.18 -3.48 0.00 -1.25 -5.19 121.76 109.03 2ctf s ALA 21 Ca 0.04 0.07 -0.33 0.00 0.00 0.00 0.00 51.96 51.74 2ctf s ALA 21 Cb 0.05 0.87 0.14 0.00 0.00 0.00 0.00 23.12 24.18 2ctf s ALA 21 CO 0.19 -0.91 1.18 -1.59 0.00 0.00 0.00 175.76 174.63 2ctf s LYS 22 N -3.84 0.34 -0.62 0.00 -2.85 -1.26 -4.47 119.74 107.04 2ctf s LYS 22 Ca 0.06 -0.09 -0.01 0.00 -1.00 0.00 0.00 55.97 54.93 2ctf s LYS 22 Cb -0.04 0.16 0.16 0.00 -2.06 0.00 0.00 37.83 36.05 2ctf s LYS 22 CO -0.03 -0.14 0.42 0.00 0.10 0.00 0.00 175.35 175.70 2ctf s ALA 23 N -2.18 3.56 -0.30 0.59 0.00 -1.26 -5.00 121.76 117.17 2ctf s ALA 23 Ca 0.08 -3.32 -0.17 0.00 0.00 0.00 0.00 51.96 48.55 2ctf s ALA 23 Cb -0.01 -2.55 0.18 0.00 0.00 0.00 0.00 23.12 20.74 2ctf s ALA 23 CO -0.05 -2.10 1.14 1.21 0.00 0.00 0.00 175.76 175.97 2ctf s ASN 24 N 0.35 -0.30 0.01 0.00 3.04 -1.26 -5.08 114.94 111.71 2ctf s ASN 24 Ca 0.18 0.42 -0.22 0.00 0.04 0.00 0.00 52.86 53.28 2ctf s ASN 24 Cb -0.21 1.29 -0.12 0.00 -1.54 0.00 0.00 41.25 40.67 2ctf s ASN 24 CO -0.03 -0.06 1.03 0.28 -3.04 0.00 0.00 177.10 175.27 2ctf h SER 25 N 6.83 -0.68 -2.34 -4.21 0.02 -2.02 -3.44 113.55 107.71 2ctf h SER 25 Ca -0.18 0.02 -0.62 0.00 -0.84 0.00 0.00 61.79 60.18 2ctf h SER 25 Cb 1.13 0.17 0.10 0.00 0.14 0.00 0.00 62.40 63.95 2ctf h SER 25 CO 0.11 -0.36 0.26 0.33 -1.14 0.00 0.00 176.83 176.03 2ctf n PHE 26 N -4.86 1.44 -3.93 3.45 7.35 -1.26 -4.83 117.46 114.81 2ctf n PHE 26 Ca -0.10 0.65 -0.35 0.00 -0.76 0.00 0.00 57.45 56.90 2ctf n PHE 26 Cb 0.31 -2.29 -0.14 0.00 0.35 0.00 0.00 39.48 37.71 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 -0.62 2.98 -0.28 -2.13 2.01 -0.45 -4.98 115.64 112.17 2ctf s THR 27 Ca 0.65 -1.09 0.02 0.00 0.31 0.00 0.00 61.69 61.58 2ctf s THR 27 Cb -0.74 -2.56 0.06 0.00 0.01 0.00 0.00 72.50 69.27 2ctf s THR 27 CO 0.56 0.12 -0.07 -0.69 -0.69 0.00 0.00 174.62 173.84 2ctf s VAL 28 N 1.32 2.33 0.06 3.82 1.01 -1.26 -1.60 120.40 126.08 2ctf s VAL 28 Ca -0.01 -1.66 0.07 0.00 0.00 0.00 0.00 61.98 60.38 2ctf s VAL 28 Cb -0.17 -2.40 -0.03 0.00 0.00 0.00 0.00 36.38 33.78 2ctf s VAL 28 CO -0.03 -0.10 -0.20 -0.94 0.00 0.00 0.00 175.10 173.83 2ctf s SER 29 N 1.12 2.41 0.08 3.32 1.04 -1.05 -4.91 113.70 115.71 2ctf s SER 29 Ca -0.06 -0.57 0.03 0.00 0.48 0.00 0.00 55.95 55.83 2ctf s SER 29 Cb -0.20 -0.17 -0.04 0.00 0.10 0.00 0.00 66.02 65.71 2ctf s SER 29 CO -0.05 0.11 0.05 -0.94 0.98 0.00 0.00 173.24 173.40 2ctf s SER 30 N -1.43 5.38 -0.17 7.02 1.04 -1.26 0.30 113.70 124.58 2ctf s SER 30 Ca 0.06 -0.05 -0.00 0.00 0.48 0.00 0.00 55.95 56.44 2ctf s SER 30 Cb -0.09 -1.40 0.00 0.00 0.10 0.00 0.00 66.02 64.63 2ctf s SER 30 CO 0.03 0.18 -0.15 -0.69 0.98 0.00 0.00 173.24 173.58 2ctf s VAL 31 N -1.35 2.55 -0.38 5.02 1.01 0.10 -4.92 120.40 122.43 2ctf s VAL 31 Ca 0.28 -0.79 -0.31 0.00 0.00 0.00 0.00 61.98 61.16 2ctf s VAL 31 Cb -0.12 -2.09 -0.09 0.00 0.00 0.00 0.00 36.38 34.08 2ctf s VAL 31 CO 0.20 0.51 2.28 0.00 0.00 0.00 0.00 175.10 178.10 2ctf n ALA 32 N 4.36 1.19 -3.20 5.51 0.00 -1.26 -1.60 120.51 125.52 2ctf n ALA 32 Ca -0.20 -0.31 -0.13 0.00 0.00 0.00 0.00 53.44 52.81 2ctf n ALA 32 Cb 0.51 -2.78 -0.11 0.00 0.00 0.00 0.00 19.45 17.07 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 8.74 -0.75 1.25 0.00 0.00 -1.23 -4.94 121.76 124.82 2ctf s ALA 33 Ca 1.06 0.79 -0.21 0.00 0.00 0.00 0.00 51.96 53.61 2ctf s ALA 33 Cb -0.59 -0.43 0.30 0.00 0.00 0.00 0.00 23.12 22.41 2ctf s ALA 33 CO 0.40 -0.16 1.08 -0.35 0.00 0.00 0.00 175.76 176.74 2ctf n PRO 34 N 2.71 -3.15 0.00 0.00 -0.04 -1.26 -2.81 135.00 130.46 2ctf n PRO 34 Ca -0.14 -1.73 0.00 0.00 -0.04 0.00 0.00 63.50 61.59 2ctf n PRO 34 Cb 0.58 -1.63 0.00 0.00 -0.04 0.00 0.00 33.50 32.41 2ctf n PRO 34 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2ctf n SER 35 N -4.87 3.93 0.33 3.54 2.88 -1.26 -4.67 113.62 113.50 2ctf n SER 35 Ca 0.15 0.00 0.22 0.00 -1.33 0.00 0.00 58.87 57.91 2ctf n SER 35 Cb 0.58 0.78 1.17 0.00 -0.75 0.00 0.00 64.21 65.99 2ctf n SER 35 CO 0.00 0.00 0.00 4.11 -1.23 0.00 0.00 175.04 177.92 2ctf h TRP 36 N 0.00 0.00 -0.25 0.66 5.08 -1.99 0.56 115.95 120.01 2ctf h TRP 36 Ca 0.00 0.00 -0.04 0.00 1.08 0.00 0.00 58.89 59.93 2ctf h TRP 36 Cb 0.02 0.00 -0.03 0.00 -3.00 0.00 0.00 29.16 26.16 2ctf h TRP 36 CO 0.00 0.00 -0.02 1.47 -1.28 0.00 0.00 178.44 178.61 2ctf n LEU 37 N -3.02 3.75 -0.17 0.11 -0.00 -1.26 -4.64 117.00 111.77 2ctf n LEU 37 Ca -0.03 -3.20 -0.06 0.00 -0.00 0.00 0.00 56.01 52.72 2ctf n LEU 37 Cb 0.08 -0.55 0.11 0.00 -0.00 0.00 0.00 43.42 43.06 2ctf n LEU 37 CO 0.19 0.81 0.89 0.45 -0.00 0.00 0.00 177.39 179.73 2ctf h HIS 38 N 1.38 0.99 0.00 1.47 3.86 -1.15 0.23 115.15 121.93 2ctf h HIS 38 Ca 0.05 -0.14 -0.01 0.00 -1.16 0.00 0.00 60.37 59.11 2ctf h HIS 38 Cb 1.44 -0.27 -0.00 0.00 1.06 0.00 0.00 27.41 29.64 2ctf h HIS 38 CO 0.56 0.87 -0.07 0.07 0.86 0.00 0.00 177.93 180.21 2ctf h ARG 39 N 0.87 0.00 0.04 2.45 0.11 -1.82 -1.08 114.38 114.95 2ctf h ARG 39 Ca 0.17 0.00 -0.36 0.00 0.10 0.00 0.00 59.98 59.89 2ctf h ARG 39 Cb 0.45 0.00 -0.04 0.00 1.11 0.00 0.00 29.97 31.48 2ctf h ARG 39 CO 0.02 0.07 -2.03 1.19 0.10 0.00 0.00 179.97 179.32 2ctf n PHE 40 N -3.63 0.67 -0.17 4.08 3.72 -0.85 -3.15 117.46 118.13 2ctf n PHE 40 Ca -0.02 0.20 0.04 0.00 -0.05 0.00 0.00 57.45 57.62 2ctf n PHE 40 Cb 0.18 -1.08 0.33 0.00 -0.94 0.00 0.00 39.48 37.97 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 -0.44 1.09 0.03 4.37 2.10 -0.44 -3.03 117.51 121.19 2ctf h ILE 41 Ca -0.50 -0.28 -0.00 0.00 1.08 0.00 0.00 64.86 65.16 2ctf h ILE 41 Cb 1.73 0.20 0.00 0.00 -1.09 0.00 0.00 36.82 37.66 2ctf h ILE 41 CO -0.13 0.15 -0.02 0.40 -1.08 0.00 0.00 178.15 177.47 2ctf h ILE 42 N 0.82 1.15 0.00 2.19 2.04 -1.39 -3.42 117.51 118.90 2ctf h ILE 42 Ca 0.28 -1.71 0.00 0.00 1.00 0.00 0.00 64.86 64.42 2ctf h ILE 42 Cb 0.09 2.11 0.00 0.00 -0.74 0.00 0.00 36.82 38.28 2ctf h ILE 42 CO -0.08 0.37 0.00 0.61 0.00 0.00 0.00 178.15 179.05 2ctf n GLY 43 N 1.38 2.90 0.31 5.37 0.00 -1.15 -3.69 105.19 110.31 2ctf n GLY 43 Ca -0.07 -1.78 -0.04 0.00 0.00 0.00 0.00 46.02 44.13 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 1.05 -0.75 1.61 1.79 -1.89 -2.94 116.57 115.43 2ctf h LYS 44 Ca 0.00 -0.06 -0.54 0.00 -2.18 0.00 0.00 60.65 57.87 2ctf h LYS 44 Cb 0.00 -0.24 -0.39 0.00 -1.58 0.00 0.00 32.23 30.03 2ctf h LYS 44 CO 0.00 0.69 -0.55 1.63 -1.08 0.00 0.00 179.45 180.14 2ctf n LYS 45 N -4.53 3.38 -3.99 3.15 4.76 -1.26 -4.97 118.16 114.70 2ctf n LYS 45 Ca 0.08 -3.99 -0.34 0.00 -2.87 0.00 0.00 58.31 51.19 2ctf n LYS 45 Cb 0.02 -2.25 -0.00 0.00 -1.84 0.00 0.00 35.03 30.95 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 -0.76 -0.52 0.13 0.72 0.00 -1.11 -4.85 105.19 98.79 2ctf n GLY 46 Ca 0.46 0.23 -0.26 0.00 0.00 0.00 0.00 46.02 46.45 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 -4.07 0.61 -0.22 1.61 -0.06 -1.25 -3.43 117.38 110.57 2ctf n GLN 47 Ca -0.12 0.30 0.02 0.00 -2.00 0.00 0.00 57.00 55.20 2ctf n GLN 47 Cb 0.45 -1.55 0.14 0.00 -4.06 0.00 0.00 30.24 25.22 2ctf n GLN 47 CO 0.00 0.00 0.00 -0.91 -0.20 0.00 0.00 177.06 175.95 2ctf h ASN 48 N -0.75 0.18 0.20 1.69 2.35 -1.87 0.10 115.58 117.48 2ctf h ASN 48 Ca -0.61 0.10 -0.01 0.00 -0.55 0.00 0.00 56.30 55.24 2ctf h ASN 48 Cb 1.64 0.10 0.00 0.00 0.05 0.00 0.00 38.32 40.11 2ctf h ASN 48 CO -0.30 0.09 -0.10 -0.07 -1.65 0.00 0.00 177.43 175.40 2ctf h LEU 49 N 0.38 -0.23 -0.68 1.61 3.38 -1.78 -3.04 115.31 114.94 2ctf h LEU 49 Ca 0.35 -0.30 0.14 0.00 0.09 0.00 0.00 57.88 58.17 2ctf h LEU 49 Cb 0.50 0.06 -0.13 0.00 0.09 0.00 0.00 40.66 41.18 2ctf h LEU 49 CO -0.37 0.29 -0.13 0.00 0.09 0.00 0.00 178.44 178.32 2ctf h ALA 50 N -0.36 0.52 0.32 1.53 0.00 -1.52 0.80 119.26 120.54 2ctf h ALA 50 Ca -0.03 0.25 -0.00 0.00 0.00 0.00 0.00 54.91 55.13 2ctf h ALA 50 Cb 0.51 0.48 -0.03 0.00 0.00 0.00 0.00 17.79 18.75 2ctf h ALA 50 CO 0.05 -0.42 -0.49 0.87 0.00 0.00 0.00 179.25 179.26 2ctf h LYS 51 N 0.02 -0.82 0.14 0.00 1.79 -0.88 0.17 116.57 117.00 2ctf h LYS 51 Ca 0.34 0.06 0.02 0.00 -2.18 0.00 0.00 60.65 58.88 2ctf h LYS 51 Cb 0.54 0.19 -0.04 0.00 -1.58 0.00 0.00 32.23 31.33 2ctf h LYS 51 CO -0.68 -0.54 -0.45 0.82 -1.08 0.00 0.00 179.45 177.52 2ctf h ILE 52 N -0.85 0.12 -0.99 1.86 2.04 -1.23 -1.28 117.51 117.18 2ctf h ILE 52 Ca -0.04 0.00 0.22 0.00 1.00 0.00 0.00 64.86 66.05 2ctf h ILE 52 Cb 0.78 0.12 -0.09 0.00 -0.74 0.00 0.00 36.82 36.89 2ctf h ILE 52 CO -0.15 0.00 0.63 0.71 0.00 0.00 0.00 178.15 179.33 2ctf h THR 53 N -0.70 0.63 -0.54 -0.27 1.35 -0.74 0.92 112.91 113.56 2ctf h THR 53 Ca 0.01 -0.18 0.01 0.00 -0.55 0.00 0.00 66.41 65.70 2ctf h THR 53 Cb 0.71 0.05 -0.03 0.00 -1.73 0.00 0.00 68.15 67.15 2ctf h THR 53 CO -0.24 0.10 0.35 -0.61 -0.25 0.00 0.00 175.52 174.87 2ctf h GLN 54 N 0.53 0.70 -0.03 4.72 -0.00 0.51 -1.05 115.11 120.48 2ctf h GLN 54 Ca 0.56 -0.04 -0.16 0.00 -0.00 0.00 0.00 58.65 59.01 2ctf h GLN 54 Cb 1.20 -0.16 -0.01 0.00 0.00 0.00 0.00 27.48 28.51 2ctf h GLN 54 CO -0.30 0.46 -0.69 0.37 0.00 0.00 0.00 178.83 178.67 2ctf h GLN 55 N 0.72 0.17 -2.77 1.69 5.75 -0.38 -3.38 115.11 116.91 2ctf h GLN 55 Ca 0.20 -0.14 -0.61 0.00 -0.15 0.00 0.00 58.65 57.96 2ctf h GLN 55 Cb -0.07 0.03 -0.40 0.00 1.07 0.00 0.00 27.48 28.11 2ctf h GLN 55 CO -0.05 0.79 -0.78 -1.64 -2.65 0.00 0.00 178.83 174.50 2ctf s MET 56 N -3.55 1.51 0.29 1.69 -1.94 0.00 -4.95 119.30 112.36 2ctf s MET 56 Ca -0.03 -2.48 0.07 0.00 -1.71 0.00 0.00 55.69 51.55 2ctf s MET 56 Cb 0.12 -2.32 0.43 0.00 2.01 0.00 0.00 34.83 35.07 2ctf s MET 56 CO 0.80 -1.29 1.68 -1.00 -0.01 0.00 0.00 175.02 175.19 2ctf h PRO 57 N 5.87 0.18 -0.82 2.03 0.13 -1.39 -3.12 132.00 134.88 2ctf h PRO 57 Ca 0.15 -0.10 0.03 0.00 -0.87 0.00 0.00 66.00 65.21 2ctf h PRO 57 Cb 0.86 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 31.95 2ctf h PRO 57 CO 0.51 0.62 0.53 0.87 -0.23 0.00 0.00 178.00 180.30 2ctf h LYS 58 N 0.15 1.02 -6.36 0.86 1.79 -1.92 -3.41 116.57 108.71 2ctf h LYS 58 Ca 0.01 -0.06 -0.55 0.00 -2.18 0.00 0.00 60.65 57.87 2ctf h LYS 58 Cb 0.89 -0.23 -0.03 0.00 -1.58 0.00 0.00 32.23 31.28 2ctf h LYS 58 CO 0.07 0.67 0.44 0.08 -1.08 0.00 0.00 179.45 179.64 2ctf s VAL 59 N -6.11 4.83 -0.34 0.50 1.01 -1.18 -4.20 120.40 114.91 2ctf s VAL 59 Ca -0.13 2.05 -0.07 0.00 0.00 0.00 0.00 61.98 63.83 2ctf s VAL 59 Cb 0.17 -4.31 0.04 0.00 0.00 0.00 0.00 36.38 32.27 2ctf s VAL 59 CO 0.79 0.10 0.11 -2.28 0.00 0.00 0.00 175.10 173.82 2ctf s HIS 60 N 1.38 3.25 -0.43 5.22 2.46 0.13 -4.90 115.29 122.40 2ctf s HIS 60 Ca 0.51 -1.36 -0.25 0.00 0.47 0.00 0.00 55.06 54.43 2ctf s HIS 60 Cb -0.20 -2.29 0.02 0.00 -0.13 0.00 0.00 32.58 29.98 2ctf s HIS 60 CO 0.24 -0.71 0.88 0.42 -2.47 0.00 0.00 174.74 173.10 2ctf s ILE 61 N 1.42 4.56 -0.06 0.89 1.01 -1.26 -2.28 121.20 125.48 2ctf s ILE 61 Ca -0.01 0.78 0.01 0.00 0.00 0.00 0.00 60.65 61.43 2ctf s ILE 61 Cb -0.19 -4.37 -0.03 0.00 0.01 0.00 0.00 42.46 37.88 2ctf s ILE 61 CO 0.03 -0.71 -0.07 -0.70 0.00 0.00 0.00 174.94 173.49 2ctf s GLU 62 N 3.54 2.71 -0.22 2.79 2.56 -0.08 -5.01 118.70 125.01 2ctf s GLU 62 Ca 0.35 -0.58 -0.04 0.00 0.00 0.00 0.00 54.97 54.70 2ctf s GLU 62 Cb -0.11 -2.58 -0.01 0.00 2.00 0.00 0.00 34.13 33.43 2ctf s GLU 62 CO 0.23 0.65 -0.02 -0.06 -0.56 0.00 0.00 175.26 175.50 2ctf s PHE 63 N -0.84 2.98 0.77 5.30 0.08 -1.26 -1.63 117.98 123.37 2ctf s PHE 63 Ca 0.13 -0.78 -0.06 0.00 0.12 0.00 0.00 56.93 56.34 2ctf s PHE 63 Cb -0.11 -2.11 0.13 0.00 -0.57 0.00 0.00 43.02 40.36 2ctf s PHE 63 CO 0.02 -0.46 1.07 0.95 -0.10 0.00 0.00 175.22 176.70 2ctf s THR 64 N 1.38 2.17 -0.05 0.64 -4.23 -1.15 -5.02 115.64 109.37 2ctf s THR 64 Ca 0.05 -0.38 -0.09 0.00 -1.18 0.00 0.00 61.69 60.09 2ctf s THR 64 Cb -0.14 -2.79 -0.03 0.00 1.34 0.00 0.00 72.50 70.88 2ctf s THR 64 CO -0.01 0.00 -0.17 -0.62 -0.54 0.00 0.00 174.62 173.27 2ctf n GLU 65 N -3.06 0.26 0.01 3.99 1.02 -1.26 -4.67 120.64 116.94 2ctf n GLU 65 Ca 0.13 0.10 -0.15 0.00 -0.02 0.00 0.00 57.16 57.23 2ctf n GLU 65 Cb 0.60 -0.94 -0.14 0.00 -0.02 0.00 0.00 31.44 30.95 2ctf n GLU 65 CO 0.00 0.00 0.00 0.78 1.18 0.00 0.00 177.13 179.09 2ctf h GLY 66 N -0.50 0.17 1.72 0.62 0.00 -1.98 -3.32 103.07 99.78 2ctf h GLY 66 Ca 0.00 -0.44 0.00 0.00 0.00 0.00 0.00 47.33 46.89 2ctf h GLY 66 CO 0.00 0.39 0.14 0.83 0.00 0.00 0.00 176.54 177.90 2ctf h GLU 67 N 0.04 0.00 -6.61 4.80 3.07 -2.00 -3.45 114.58 110.44 2ctf h GLU 67 Ca -0.31 0.00 -0.52 0.00 -0.50 0.00 0.00 59.36 58.03 2ctf h GLU 67 Cb 2.01 0.00 -0.10 0.00 -0.84 0.00 0.00 28.75 29.83 2ctf h GLU 67 CO 0.11 0.00 -0.89 -0.25 -1.40 0.00 0.00 179.01 176.58 2ctf n ASP 68 N -2.96 -0.70 -3.75 1.42 8.00 -1.25 -4.94 116.55 112.37 2ctf n ASP 68 Ca -0.03 -1.04 -0.09 0.00 0.71 0.00 0.00 54.79 54.35 2ctf n ASP 68 Cb 0.20 -2.84 -0.03 0.00 -0.02 0.00 0.00 41.12 38.42 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 -6.71 1.49 -0.32 -1.24 -2.85 -1.12 -3.53 119.74 105.45 2ctf s LYS 69 Ca 0.13 -0.88 -0.08 0.00 -1.00 0.00 0.00 55.97 54.15 2ctf s LYS 69 Cb -0.07 0.55 0.02 0.00 -2.06 0.00 0.00 37.83 36.26 2ctf s LYS 69 CO 0.91 -0.65 0.11 0.42 0.10 0.00 0.00 175.35 176.24 2ctf s ILE 70 N -3.88 4.08 -0.13 3.79 1.01 -0.62 -2.94 121.20 122.50 2ctf s ILE 70 Ca 0.10 -0.79 -0.23 0.00 0.00 0.00 0.00 60.65 59.72 2ctf s ILE 70 Cb -0.02 -3.17 -0.03 0.00 0.01 0.00 0.00 42.46 39.25 2ctf s ILE 70 CO -0.00 -0.03 0.71 0.42 0.00 0.00 0.00 174.94 176.04 2ctf s THR 71 N 1.50 5.00 0.15 2.92 -4.23 -0.65 0.01 115.64 120.34 2ctf s THR 71 Ca 0.02 1.42 0.05 0.00 -1.18 0.00 0.00 61.69 62.00 2ctf s THR 71 Cb -0.18 -4.04 -0.04 0.00 1.34 0.00 0.00 72.50 69.58 2ctf s THR 71 CO 0.04 0.15 0.11 -0.76 -0.54 0.00 0.00 174.62 173.62 2ctf s LEU 72 N 1.46 3.75 -0.10 4.79 2.01 0.15 -0.90 118.68 129.84 2ctf s LEU 72 Ca 0.35 -0.14 -0.04 0.00 0.01 0.00 0.00 54.13 54.31 2ctf s LEU 72 Cb -0.17 -2.37 0.05 0.00 0.01 0.00 0.00 46.19 43.71 2ctf s LEU 72 CO 0.14 0.08 0.20 -1.61 1.01 0.00 0.00 176.35 176.18 2ctf s GLU 73 N -2.99 0.12 0.00 1.70 2.02 -0.97 -2.52 118.70 116.07 2ctf s GLU 73 Ca 0.30 0.55 0.00 0.00 0.02 0.00 0.00 54.97 55.84 2ctf s GLU 73 Cb -0.10 -0.15 0.00 0.00 0.10 0.00 0.00 34.13 33.98 2ctf s GLU 73 CO 0.23 -0.23 0.00 0.41 0.02 0.00 0.00 175.26 175.69 2ctf n GLY 74 N 4.74 -0.18 3.70 -1.39 0.00 -0.63 0.20 105.19 111.62 2ctf n GLY 74 Ca -0.16 -1.50 -0.42 0.00 0.00 0.00 0.00 46.02 43.93 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 4.29 0.54 1.61 0.04 -1.26 -1.34 135.00 136.88 2ctf s PRO 75 Ca 0.00 2.03 0.44 0.00 0.04 0.00 0.00 61.00 63.50 2ctf s PRO 75 Cb 0.00 -3.45 1.64 0.00 0.04 0.00 0.00 34.50 32.73 2ctf s PRO 75 CO 0.00 -0.53 1.67 0.00 0.04 0.00 0.00 177.00 178.18 2ctf h THR 76 N 4.65 0.17 0.80 1.26 1.03 -1.88 0.17 112.91 119.11 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 0.16 -0.00 0.00 -1.07 0.00 0.00 68.15 68.43 2ctf h THR 76 CO 0.89 0.00 -0.46 -0.08 -0.01 0.00 0.00 175.52 175.86 2ctf h GLU 77 N 0.01 -1.12 -0.10 0.00 4.81 -1.99 -1.54 114.58 114.65 2ctf h GLU 77 Ca 0.79 0.08 -0.08 0.00 -0.13 0.00 0.00 59.36 60.01 2ctf h GLU 77 Cb 3.10 0.25 0.00 0.00 0.63 0.00 0.00 28.75 32.74 2ctf h GLU 77 CO -0.04 -0.75 -0.26 -0.44 -0.73 0.00 0.00 179.01 176.78 2ctf h ASP 78 N -1.16 0.41 -0.90 1.04 3.32 -1.33 -3.22 116.42 114.56 2ctf h ASP 78 Ca -0.11 -0.59 0.25 0.00 0.02 0.00 0.00 57.03 56.60 2ctf h ASP 78 Cb 0.92 -0.12 -0.14 0.00 0.22 0.00 0.00 39.33 40.21 2ctf h ASP 78 CO 0.13 0.92 0.33 0.58 -1.72 0.00 0.00 179.24 179.49 2ctf h VAL 79 N -0.09 0.35 -0.29 -1.35 2.07 -0.81 0.21 116.25 116.35 2ctf h VAL 79 Ca -0.00 -0.10 0.00 0.00 0.82 0.00 0.00 66.70 67.42 2ctf h VAL 79 Cb 0.87 0.05 -0.01 0.00 -1.52 0.00 0.00 31.29 30.68 2ctf h VAL 79 CO 0.06 0.05 0.19 -1.28 0.02 0.00 0.00 177.57 176.61 2ctf h SER 80 N 0.28 0.34 0.12 0.57 0.87 -1.29 0.32 113.55 114.76 2ctf h SER 80 Ca 0.59 -0.02 -0.01 0.00 -1.23 0.00 0.00 61.79 61.12 2ctf h SER 80 Cb 1.19 -0.08 0.00 0.00 -0.44 0.00 0.00 62.40 63.07 2ctf h SER 80 CO -0.61 0.25 -0.06 0.58 -0.53 0.00 0.00 176.83 176.46 2ctf h VAL 81 N 0.39 1.00 0.81 2.23 2.07 -0.75 -2.06 116.25 119.94 2ctf h VAL 81 Ca 0.11 -0.48 -0.04 0.00 0.82 0.00 0.00 66.70 67.10 2ctf h VAL 81 Cb -0.04 1.30 0.01 0.00 -1.52 0.00 0.00 31.29 31.04 2ctf h VAL 81 CO -0.02 0.12 -0.40 0.00 0.02 0.00 0.00 177.57 177.29 2ctf h ALA 82 N 0.45 -1.10 -1.04 1.67 0.00 -0.70 -0.63 119.26 117.91 2ctf h ALA 82 Ca -0.02 -0.24 0.28 0.00 0.00 0.00 0.00 54.91 54.94 2ctf h ALA 82 Cb 0.32 0.43 -0.07 0.00 0.00 0.00 0.00 17.79 18.47 2ctf h ALA 82 CO 0.03 -1.12 0.71 -0.56 0.00 0.00 0.00 179.25 178.31 2ctf h GLN 83 N -1.10 0.21 -0.11 0.00 3.07 -0.42 0.22 115.11 116.99 2ctf h GLN 83 Ca -0.11 -0.01 -0.22 0.00 0.09 0.00 0.00 58.65 58.40 2ctf h GLN 83 Cb 0.84 -0.05 0.01 0.00 0.08 0.00 0.00 27.48 28.37 2ctf h GLN 83 CO 0.18 0.14 -0.78 1.49 0.09 0.00 0.00 178.83 179.95 2ctf h GLU 84 N 0.22 0.73 -0.64 0.06 4.81 -0.90 -2.65 114.58 116.21 2ctf h GLU 84 Ca 0.55 -0.63 0.01 0.00 -0.13 0.00 0.00 59.36 59.16 2ctf h GLU 84 Cb 1.72 0.14 -0.03 0.00 0.63 0.00 0.00 28.75 31.21 2ctf h GLU 84 CO -0.16 1.24 0.42 1.96 -0.73 0.00 0.00 179.01 181.74 2ctf h GLN 85 N 0.43 0.81 0.00 1.92 4.20 0.99 -1.66 115.11 121.79 2ctf h GLN 85 Ca -0.06 -0.05 -0.16 0.00 0.06 0.00 0.00 58.65 58.43 2ctf h GLN 85 Cb 1.42 -0.18 -0.02 0.00 0.30 0.00 0.00 27.48 28.99 2ctf h GLN 85 CO 0.16 0.53 -0.78 0.82 -0.67 0.00 0.00 178.83 178.90 2ctf h ILE 86 N 0.83 1.53 0.00 2.54 2.04 -1.34 -3.07 117.51 120.04 2ctf h ILE 86 Ca 0.24 -2.68 -0.01 0.00 1.00 0.00 0.00 64.86 63.41 2ctf h ILE 86 Cb -0.04 2.46 -0.00 0.00 -0.74 0.00 0.00 36.82 38.49 2ctf h ILE 86 CO -0.06 0.76 -0.06 -0.33 0.00 0.00 0.00 178.15 178.47 2ctf h GLU 87 N 0.00 0.00 0.00 2.37 5.08 -0.93 -1.12 114.58 119.98 2ctf h GLU 87 Ca -0.01 0.00 -0.08 0.00 -1.00 0.00 0.00 59.36 58.27 2ctf h GLU 87 Cb 1.39 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.63 2ctf h GLU 87 CO 0.10 0.06 -0.49 0.78 -1.00 0.00 0.00 179.01 178.46 2ctf h GLY 88 N 0.65 0.00 2.00 -3.84 0.00 -1.43 -3.11 103.07 97.34 2ctf h GLY 88 Ca -0.00 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.31 2ctf h GLY 88 CO 0.01 0.00 -0.08 0.00 0.00 0.00 0.00 176.54 176.46 2ctf h MET 89 N -1.00 0.00 -0.07 4.80 -0.00 -1.51 -1.57 114.93 115.58 2ctf h MET 89 Ca -0.12 0.00 -0.06 0.00 -0.00 0.00 0.00 59.70 59.52 2ctf h MET 89 Cb 0.90 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.50 2ctf h MET 89 CO -0.07 0.08 -0.18 0.28 -0.00 0.00 0.00 176.91 177.02 2ctf h VAL 90 N 0.00 1.42 -0.35 -0.10 2.07 -1.34 -2.57 116.25 115.38 2ctf h VAL 90 Ca -0.00 -1.53 -0.02 0.00 0.82 0.00 0.00 66.70 65.97 2ctf h VAL 90 Cb 0.16 2.24 -0.02 0.00 -1.52 0.00 0.00 31.29 32.16 2ctf h VAL 90 CO 0.01 0.43 0.13 0.50 0.02 0.00 0.00 177.57 178.66 2ctf h LYS 91 N -0.25 0.52 -0.58 1.57 3.64 -1.40 -2.36 116.57 117.71 2ctf h LYS 91 Ca -0.00 -0.10 0.05 0.00 -1.27 0.00 0.00 60.65 59.32 2ctf h LYS 91 Cb 0.79 -0.08 -0.05 0.00 -0.41 0.00 0.00 32.23 32.48 2ctf h LYS 91 CO 0.04 0.53 0.32 0.22 -2.27 0.00 0.00 179.45 178.28 2ctf h ASP 92 N 0.41 0.48 -0.83 4.20 1.82 -1.37 0.20 116.42 121.33 2ctf h ASP 92 Ca 0.11 0.02 0.01 0.00 -0.39 0.00 0.00 57.03 56.79 2ctf h ASP 92 Cb 0.20 -0.07 -0.04 0.00 0.68 0.00 0.00 39.33 40.10 2ctf h ASP 92 CO -0.01 0.32 0.55 -0.07 -1.61 0.00 0.00 179.24 178.42 2ctf h LEU 93 N 0.61 0.94 -0.29 2.28 3.38 -1.28 -2.43 115.31 118.52 2ctf h LEU 93 Ca 0.25 -0.02 -0.15 0.00 0.09 0.00 0.00 57.88 58.05 2ctf h LEU 93 Cb 0.13 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 40.64 2ctf h LEU 93 CO -0.15 0.67 -0.40 0.40 0.09 0.00 0.00 178.44 179.05 2ctf h ILE 94 N 1.11 1.29 -0.85 1.22 2.04 -0.84 -3.16 117.51 118.31 2ctf h ILE 94 Ca 0.31 -1.59 0.13 0.00 1.00 0.00 0.00 64.86 64.72 2ctf h ILE 94 Cb -0.10 1.60 -0.09 0.00 -0.74 0.00 0.00 36.82 37.49 2ctf h ILE 94 CO -0.08 0.51 0.46 0.78 0.00 0.00 0.00 178.15 179.83 2ctf h ASN 95 N 0.55 0.59 -0.39 1.72 2.35 -0.27 -2.19 115.58 117.95 2ctf h ASN 95 Ca 0.03 0.08 0.07 0.00 -0.55 0.00 0.00 56.30 55.94 2ctf h ASN 95 Cb 1.00 -0.02 -0.09 0.00 0.05 0.00 0.00 38.32 39.25 2ctf h ASN 95 CO 0.09 0.28 -0.37 0.03 -1.65 0.00 0.00 177.43 175.82 2ctf h ARG 96 N 0.69 -0.28 -4.71 0.81 3.08 -1.41 -3.35 114.38 109.21 2ctf h ARG 96 Ca 0.45 0.02 -0.69 0.00 0.07 0.00 0.00 59.98 59.83 2ctf h ARG 96 Cb 0.58 0.06 -0.24 0.00 0.08 0.00 0.00 29.97 30.45 2ctf h ARG 96 CO -0.33 -0.19 -0.56 0.45 -1.07 0.00 0.00 179.97 178.28 2ctf s SER 97 N -5.06 5.52 1.10 7.04 0.15 -0.82 -5.09 113.70 116.54 2ctf s SER 97 Ca -0.15 -0.78 -0.10 0.00 0.70 0.00 0.00 55.95 55.63 2ctf s SER 97 Cb 0.13 -1.98 0.14 0.00 -1.71 0.00 0.00 66.02 62.60 2ctf s SER 97 CO 0.67 -0.28 0.56 0.61 1.20 0.00 0.00 173.24 176.00 2ctf n GLY 98 N 4.95 -2.34 0.00 9.45 0.00 -1.26 -4.84 105.19 111.16 2ctf n GLY 98 Ca -0.13 -1.52 0.08 0.00 0.00 0.00 0.00 46.02 44.45 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 -2.98 0.37 -0.26 1.61 -0.04 -1.26 -3.96 135.00 128.49 2ctf n PRO 99 Ca 0.08 0.06 0.10 0.00 -0.04 0.00 0.00 63.50 63.70 2ctf n PRO 99 Cb 0.29 -1.50 0.20 0.00 -0.04 0.00 0.00 33.50 32.45 2ctf n PRO 99 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 2ctf n SER 100 N -1.12 -0.11 -4.80 3.54 7.64 -1.26 -4.27 113.62 113.24 2ctf n SER 100 Ca 0.10 1.27 -0.35 0.00 1.01 0.00 0.00 58.87 60.90 2ctf n SER 100 Cb 0.08 -0.45 -0.05 0.00 -1.01 0.00 0.00 64.21 62.78 2ctf n SER 100 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 2ctf s SER 101 N -5.03 6.68 0.00 6.43 1.04 -1.25 -5.30 113.70 116.26 2ctf s SER 101 Ca -0.10 1.89 0.00 0.00 0.48 0.00 0.00 55.95 58.22 2ctf s SER 101 Cb 0.22 -2.56 0.00 0.00 0.10 0.00 0.00 66.02 63.77 2ctf s SER 101 CO 0.58 -0.55 0.00 0.61 0.98 0.00 0.00 173.24 174.87