#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 -0.53 -0.50 1.61 0.15 -1.26 -5.13 113.70 108.05 2ctf s SER 2 Ca 0.00 0.95 -0.17 0.00 0.70 0.00 0.00 55.95 57.42 2ctf s SER 2 Cb 0.00 0.96 0.08 0.00 -1.71 0.00 0.00 66.02 65.35 2ctf s SER 2 CO 0.00 -0.25 0.52 -0.55 1.20 0.00 0.00 173.24 174.16 2ctf s SER 3 N 0.00 6.18 0.25 5.45 0.15 -1.26 -5.06 113.70 119.42 2ctf s SER 3 Ca -0.02 -1.22 0.04 0.00 0.70 0.00 0.00 55.95 55.45 2ctf s SER 3 Cb -0.03 -2.24 -0.03 0.00 -1.71 0.00 0.00 66.02 62.01 2ctf s SER 3 CO 0.02 -0.80 0.38 -0.83 1.20 0.00 0.00 173.24 173.21 2ctf s GLY 4 N 2.82 1.25 0.24 9.45 0.00 -1.26 -5.11 107.32 114.70 2ctf s GLY 4 Ca 0.09 -1.18 -0.07 0.00 0.00 0.00 0.00 44.72 43.55 2ctf s GLY 4 CO 0.08 -1.19 0.53 -1.35 0.00 0.00 0.00 173.10 171.17 2ctf s SER 5 N -3.96 6.54 -0.17 1.64 1.04 -1.26 -5.03 113.70 112.51 2ctf s SER 5 Ca 0.35 0.80 -0.25 0.00 0.48 0.00 0.00 55.95 57.33 2ctf s SER 5 Cb -0.09 -2.18 -0.22 0.00 0.10 0.00 0.00 66.02 63.63 2ctf s SER 5 CO 0.30 -0.10 0.51 0.77 0.98 0.00 0.00 173.24 175.70 2ctf h SER 6 N 2.29 0.00 -3.80 7.02 4.64 -2.06 -3.51 113.55 118.12 2ctf h SER 6 Ca -0.47 -0.76 0.00 0.00 -0.47 0.00 0.00 61.79 60.09 2ctf h SER 6 Cb 1.18 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.27 2ctf h SER 6 CO 0.69 1.20 0.00 0.61 -0.87 0.00 0.00 176.83 178.46 2ctf n GLY 7 N 1.54 3.25 3.12 -0.77 0.00 -1.26 -4.99 105.19 106.07 2ctf n GLY 7 Ca -0.19 -1.70 -0.37 0.00 0.00 0.00 0.00 46.02 43.76 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 -4.24 3.05 1.17 1.61 0.41 -1.26 -5.08 118.70 114.36 2ctf s GLU 8 Ca 0.00 -2.97 -0.18 0.00 -0.41 0.00 0.00 54.97 51.41 2ctf s GLU 8 Cb 0.00 -3.91 0.27 0.00 -1.78 0.00 0.00 34.13 28.71 2ctf s GLU 8 CO 0.00 -1.23 1.11 -1.25 -0.49 0.00 0.00 175.26 173.39 2ctf s PRO 9 N -0.81 -0.93 0.23 0.39 0.04 -1.26 -5.09 135.00 127.56 2ctf s PRO 9 Ca 0.23 0.04 -0.22 0.00 0.04 0.00 0.00 61.00 61.09 2ctf s PRO 9 Cb -0.12 -1.62 0.04 0.00 0.04 0.00 0.00 34.50 32.84 2ctf s PRO 9 CO -0.09 -3.54 0.76 -1.83 0.04 0.00 0.00 177.00 172.34 2ctf s GLU 10 N -5.32 1.56 -0.27 4.56 4.04 -1.26 -5.18 118.70 116.82 2ctf s GLU 10 Ca 0.70 -0.82 -0.27 0.00 0.04 0.00 0.00 54.97 54.62 2ctf s GLU 10 Cb -0.11 0.56 0.17 0.00 0.02 0.00 0.00 34.13 34.76 2ctf s GLU 10 CO 0.56 -0.71 1.27 -1.59 -1.84 0.00 0.00 175.26 172.96 2ctf s LYS 11 N -3.73 0.23 -0.13 -4.83 -2.85 -1.26 -5.17 119.74 102.00 2ctf s LYS 11 Ca 0.10 0.19 -0.16 0.00 -1.00 0.00 0.00 55.97 55.09 2ctf s LYS 11 Cb -0.04 0.11 0.04 0.00 -2.06 0.00 0.00 37.83 35.88 2ctf s LYS 11 CO 0.03 -0.05 0.42 -0.48 0.10 0.00 0.00 175.35 175.37 2ctf s LEU 12 N -0.31 0.38 0.00 2.77 0.05 -1.26 -5.12 118.68 115.19 2ctf s LEU 12 Ca 0.06 0.72 0.00 0.00 0.05 0.00 0.00 54.13 54.95 2ctf s LEU 12 Cb -0.03 1.51 0.00 0.00 -2.05 0.00 0.00 46.19 45.61 2ctf s LEU 12 CO -0.10 -0.23 0.00 0.61 -0.55 0.00 0.00 176.35 176.08 2ctf n GLY 13 N 2.44 1.62 2.71 -3.48 0.00 -1.26 -4.55 105.19 102.68 2ctf n GLY 13 Ca -0.15 -0.50 -0.28 0.00 0.00 0.00 0.00 46.02 45.09 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 0.00 0.56 0.18 1.61 -2.07 -1.26 -5.13 119.66 113.56 2ctf s GLN 14 Ca 0.00 -0.43 -0.08 0.00 -1.82 0.00 0.00 55.36 53.03 2ctf s GLN 14 Cb 0.00 -2.03 -0.01 0.00 -1.09 0.00 0.00 33.01 29.88 2ctf s GLN 14 CO 0.00 -0.69 0.29 0.00 -1.32 0.00 0.00 175.29 173.57 2ctf s ALA 15 N 1.89 0.15 -0.72 2.60 0.00 -1.26 -5.07 121.76 119.34 2ctf s ALA 15 Ca 0.01 -1.01 -0.25 0.00 0.00 0.00 0.00 51.96 50.70 2ctf s ALA 15 Cb -0.17 0.97 -0.17 0.00 0.00 0.00 0.00 23.12 23.75 2ctf s ALA 15 CO -0.11 -0.67 2.01 1.47 0.00 0.00 0.00 175.76 178.46 2ctf n LEU 16 N -0.25 0.26 -4.88 0.00 -0.00 -1.26 -4.85 117.00 106.02 2ctf n LEU 16 Ca -0.05 0.18 -0.30 0.00 -0.00 0.00 0.00 56.01 55.84 2ctf n LEU 16 Cb 0.63 -0.70 -0.02 0.00 -0.00 0.00 0.00 43.42 43.33 2ctf n LEU 16 CO 0.25 -0.55 0.46 0.42 -0.00 0.00 0.00 177.39 177.97 2ctf s THR 17 N 6.61 4.80 0.85 1.47 -4.23 -1.26 -5.08 115.64 118.80 2ctf s THR 17 Ca 1.02 0.57 -0.14 0.00 -1.18 0.00 0.00 61.69 61.96 2ctf s THR 17 Cb -0.98 -3.76 0.22 0.00 1.34 0.00 0.00 72.50 69.31 2ctf s THR 17 CO 0.39 -0.62 0.62 -0.62 -0.54 0.00 0.00 174.62 173.85 2ctf n GLU 18 N -1.56 -3.05 -0.52 3.99 -0.58 -1.26 -4.99 120.64 112.67 2ctf n GLU 18 Ca 0.02 -1.02 -0.28 0.00 -0.42 0.00 0.00 57.16 55.47 2ctf n GLU 18 Cb 0.54 -1.11 0.26 0.00 -0.57 0.00 0.00 31.44 30.56 2ctf n GLU 18 CO 0.00 0.00 0.00 0.08 -0.48 0.00 0.00 177.13 176.73 2ctf s VAL 19 N -1.99 2.00 -2.04 2.62 1.01 -1.26 -4.92 120.40 115.82 2ctf s VAL 19 Ca 0.44 0.00 0.19 0.00 0.00 0.00 0.00 61.98 62.61 2ctf s VAL 19 Cb -0.06 -2.05 0.53 0.00 0.00 0.00 0.00 36.38 34.81 2ctf s VAL 19 CO 0.35 -0.00 1.45 0.00 0.00 0.00 0.00 175.10 176.90 2ctf n TYR 20 N -5.00 0.79 -1.37 5.22 4.11 -1.26 -4.82 117.16 114.83 2ctf n TYR 20 Ca 0.02 -0.39 -0.26 0.00 -0.00 0.00 0.00 57.90 57.27 2ctf n TYR 20 Cb 0.54 0.00 -0.11 0.00 -0.00 0.00 0.00 39.34 39.78 2ctf n TYR 20 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.86 176.86 2ctf n ALA 21 N 1.29 0.85 -2.98 -3.48 0.00 -1.26 -4.77 120.51 110.15 2ctf n ALA 21 Ca 0.20 -2.56 -0.11 0.00 0.00 0.00 0.00 53.44 50.98 2ctf n ALA 21 Cb 0.52 -3.49 -0.06 0.00 0.00 0.00 0.00 19.45 16.42 2ctf n ALA 21 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.50 175.91 2ctf s LYS 22 N 7.57 1.60 -0.32 0.00 -2.85 -1.26 -5.08 119.74 119.39 2ctf s LYS 22 Ca 0.75 -1.43 0.11 0.00 -1.00 0.00 0.00 55.97 54.40 2ctf s LYS 22 Cb 0.02 0.44 0.46 0.00 -2.06 0.00 0.00 37.83 36.69 2ctf s LYS 22 CO 0.21 -0.65 1.12 0.00 0.10 0.00 0.00 175.35 176.14 2ctf n ALA 23 N -0.41 4.29 -3.86 0.59 0.00 -1.26 -4.97 120.51 114.88 2ctf n ALA 23 Ca -0.01 -3.60 -0.30 0.00 0.00 0.00 0.00 53.44 49.53 2ctf n ALA 23 Cb 0.62 -0.58 -0.14 0.00 0.00 0.00 0.00 19.45 19.36 2ctf n ALA 23 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 2ctf s ASN 24 N -3.57 4.20 -0.09 0.00 -0.87 -1.26 -4.86 114.94 108.50 2ctf s ASN 24 Ca 0.42 -2.40 0.04 0.00 -1.57 0.00 0.00 52.86 49.35 2ctf s ASN 24 Cb 0.39 -1.32 0.00 0.00 -0.02 0.00 0.00 41.25 40.31 2ctf s ASN 24 CO -0.03 -0.32 -0.22 -0.44 -2.57 0.00 0.00 177.10 173.52 2ctf s SER 25 N 0.59 2.85 -0.22 -1.22 0.01 -1.26 -5.08 113.70 109.37 2ctf s SER 25 Ca 0.14 -0.51 -0.40 0.00 1.31 0.00 0.00 55.95 56.50 2ctf s SER 25 Cb -0.22 -1.21 -0.16 0.00 0.21 0.00 0.00 66.02 64.64 2ctf s SER 25 CO -0.07 0.15 1.68 0.33 0.41 0.00 0.00 173.24 175.74 2ctf n PHE 26 N 3.48 1.97 -4.21 2.43 7.35 -1.26 -3.89 117.46 123.32 2ctf n PHE 26 Ca -0.19 0.55 -0.22 0.00 -0.76 0.00 0.00 57.45 56.82 2ctf n PHE 26 Cb 0.53 -2.44 -0.17 0.00 0.35 0.00 0.00 39.48 37.75 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 3.05 0.72 -0.21 -2.13 2.01 -0.25 -4.92 115.64 113.91 2ctf s THR 27 Ca 0.96 -0.21 0.01 0.00 0.31 0.00 0.00 61.69 62.76 2ctf s THR 27 Cb -1.05 -0.72 0.05 0.00 0.01 0.00 0.00 72.50 70.79 2ctf s THR 27 CO 0.62 0.27 -0.09 -0.69 -0.69 0.00 0.00 174.62 174.04 2ctf s VAL 28 N 1.01 1.65 0.23 3.82 1.01 -1.26 -1.68 120.40 125.18 2ctf s VAL 28 Ca -0.09 -1.09 0.07 0.00 0.00 0.00 0.00 61.98 60.86 2ctf s VAL 28 Cb -0.14 -1.77 -0.05 0.00 0.00 0.00 0.00 36.38 34.42 2ctf s VAL 28 CO -0.00 0.10 -0.10 -0.55 0.00 0.00 0.00 175.10 174.55 2ctf s SER 29 N 1.38 2.55 0.19 3.32 0.15 -0.86 -4.99 113.70 115.45 2ctf s SER 29 Ca -0.03 -1.10 0.10 0.00 0.70 0.00 0.00 55.95 55.63 2ctf s SER 29 Cb -0.17 -0.13 -0.04 0.00 -1.71 0.00 0.00 66.02 63.97 2ctf s SER 29 CO -0.08 -0.26 -0.21 -0.44 1.20 0.00 0.00 173.24 173.45 2ctf s SER 30 N -3.36 3.07 -0.12 5.45 0.01 -1.26 -0.10 113.70 117.40 2ctf s SER 30 Ca 0.25 -0.89 0.00 0.00 1.31 0.00 0.00 55.95 56.63 2ctf s SER 30 Cb 0.01 -0.21 0.02 0.00 0.21 0.00 0.00 66.02 66.06 2ctf s SER 30 CO 0.09 0.03 -0.11 -0.69 0.41 0.00 0.00 173.24 172.96 2ctf s VAL 31 N -1.99 1.29 -0.06 3.43 1.01 0.96 -4.96 120.40 120.07 2ctf s VAL 31 Ca 0.20 -0.46 -0.30 0.00 0.00 0.00 0.00 61.98 61.42 2ctf s VAL 31 Cb -0.06 -1.24 -0.08 0.00 0.00 0.00 0.00 36.38 35.00 2ctf s VAL 31 CO 0.09 0.41 2.07 0.00 0.00 0.00 0.00 175.10 177.67 2ctf n ALA 32 N 4.76 1.63 -3.25 5.51 0.00 -1.26 -1.26 120.51 126.65 2ctf n ALA 32 Ca -0.15 0.04 -0.13 0.00 0.00 0.00 0.00 53.44 53.20 2ctf n ALA 32 Cb 0.50 -2.77 -0.10 0.00 0.00 0.00 0.00 19.45 17.08 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 5.91 -0.88 1.16 0.00 0.00 -1.23 -4.93 121.76 121.80 2ctf s ALA 33 Ca 0.94 0.91 -0.13 0.00 0.00 0.00 0.00 51.96 53.67 2ctf s ALA 33 Cb -0.41 -0.48 0.20 0.00 0.00 0.00 0.00 23.12 22.43 2ctf s ALA 33 CO 0.40 -0.19 0.71 -0.35 0.00 0.00 0.00 175.76 176.33 2ctf n PRO 34 N 2.60 -2.43 0.00 0.00 -0.04 -1.26 -3.08 135.00 130.79 2ctf n PRO 34 Ca -0.14 -1.13 0.00 0.00 -0.04 0.00 0.00 63.50 62.18 2ctf n PRO 34 Cb 0.57 -1.07 0.00 0.00 -0.04 0.00 0.00 33.50 32.97 2ctf n PRO 34 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 2ctf n SER 35 N -4.23 0.34 0.12 3.54 7.64 -1.26 -4.71 113.62 115.06 2ctf n SER 35 Ca 0.10 -0.78 0.13 0.00 1.01 0.00 0.00 58.87 59.33 2ctf n SER 35 Cb 0.38 0.14 0.36 0.00 -1.01 0.00 0.00 64.21 64.09 2ctf n SER 35 CO 0.00 0.00 0.00 4.11 -3.01 0.00 0.00 175.04 176.14 2ctf h TRP 36 N 0.00 0.00 -0.20 1.43 5.08 -1.97 -3.17 115.95 117.12 2ctf h TRP 36 Ca 0.00 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.97 2ctf h TRP 36 Cb 0.18 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.34 2ctf h TRP 36 CO 0.00 0.00 0.00 1.47 -1.28 0.00 0.00 178.44 178.63 2ctf n LEU 37 N -2.37 3.24 -0.24 0.11 -0.00 -1.26 -4.66 117.00 111.82 2ctf n LEU 37 Ca 0.05 -2.76 0.07 0.00 -0.00 0.00 0.00 56.01 53.38 2ctf n LEU 37 Cb 0.44 -0.42 0.33 0.00 -0.00 0.00 0.00 43.42 43.78 2ctf n LEU 37 CO 0.31 0.68 1.23 0.45 -0.00 0.00 0.00 177.39 180.05 2ctf h HIS 38 N 1.33 0.85 0.00 1.47 3.86 -1.84 0.24 115.15 121.06 2ctf h HIS 38 Ca 0.00 0.02 -0.00 0.00 -1.16 0.00 0.00 60.37 59.23 2ctf h HIS 38 Cb 1.14 -0.28 -0.00 0.00 1.06 0.00 0.00 27.41 29.34 2ctf h HIS 38 CO 0.31 0.41 -0.01 0.07 0.86 0.00 0.00 177.93 179.56 2ctf h ARG 39 N 0.80 0.00 0.02 2.45 0.11 -1.85 0.15 114.38 116.06 2ctf h ARG 39 Ca 0.37 0.00 -0.40 0.00 0.10 0.00 0.00 59.98 60.06 2ctf h ARG 39 Cb 0.38 0.00 -0.06 0.00 1.11 0.00 0.00 29.97 31.40 2ctf h ARG 39 CO -0.14 0.01 -2.36 1.19 0.10 0.00 0.00 179.97 178.77 2ctf n PHE 40 N -3.63 0.25 -0.09 4.08 3.72 0.24 -3.21 117.46 118.81 2ctf n PHE 40 Ca -0.03 0.06 0.01 0.00 -0.05 0.00 0.00 57.45 57.45 2ctf n PHE 40 Cb 0.10 -1.03 0.31 0.00 -0.94 0.00 0.00 39.48 37.92 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 -0.26 1.17 0.00 4.37 2.10 -0.42 -3.18 117.51 121.29 2ctf h ILE 41 Ca -0.57 -0.42 -0.02 0.00 1.08 0.00 0.00 64.86 64.93 2ctf h ILE 41 Cb 1.83 0.44 -0.00 0.00 -1.09 0.00 0.00 36.82 38.00 2ctf h ILE 41 CO -0.14 0.18 -0.14 0.40 -1.08 0.00 0.00 178.15 177.37 2ctf h ILE 42 N 0.75 0.92 0.00 2.19 2.04 -1.17 -3.40 117.51 118.84 2ctf h ILE 42 Ca 0.19 -1.73 0.00 0.00 1.00 0.00 0.00 64.86 64.32 2ctf h ILE 42 Cb 0.02 1.78 0.00 0.00 -0.74 0.00 0.00 36.82 37.88 2ctf h ILE 42 CO -0.03 0.31 0.00 0.61 0.00 0.00 0.00 178.15 179.04 2ctf n GLY 43 N 1.66 0.88 3.55 5.37 0.00 -1.20 -1.88 105.19 113.58 2ctf n GLY 43 Ca -0.08 -2.12 -0.31 0.00 0.00 0.00 0.00 46.02 43.50 2ctf n GLY 43 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2ctf s LYS 44 N -1.33 2.07 -1.44 1.61 -0.14 -1.26 -2.66 119.74 116.60 2ctf s LYS 44 Ca 0.00 1.05 -0.09 0.00 -1.36 0.00 0.00 55.97 55.57 2ctf s LYS 44 Cb 0.00 -4.62 0.05 0.00 -1.68 0.00 0.00 37.83 31.58 2ctf s LYS 44 CO 0.00 -3.46 0.98 1.63 -0.76 0.00 0.00 175.35 173.73 2ctf n LYS 45 N 8.99 -6.02 -1.72 1.68 5.02 -1.26 -3.91 118.16 120.94 2ctf n LYS 45 Ca 0.37 0.67 -0.01 0.00 -2.02 0.00 0.00 58.31 57.31 2ctf n LYS 45 Cb 0.52 -5.54 0.00 0.00 -0.02 0.00 0.00 35.03 29.99 2ctf n LYS 45 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2ctf n GLY 46 N -1.71 -0.89 0.62 0.72 0.00 -1.09 -5.04 105.19 97.80 2ctf n GLY 46 Ca -0.05 0.10 -0.05 0.00 0.00 0.00 0.00 46.02 46.02 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 -0.44 0.12 0.07 1.61 1.13 -0.92 -4.31 117.38 114.65 2ctf n GLN 47 Ca 0.02 0.05 -0.12 0.00 -1.94 0.00 0.00 57.00 55.00 2ctf n GLN 47 Cb 0.07 -0.80 -0.04 0.00 0.11 0.00 0.00 30.24 29.58 2ctf n GLN 47 CO 0.00 0.00 0.00 -0.91 -1.44 0.00 0.00 177.06 174.71 2ctf h ASN 48 N -0.15 0.45 -0.02 1.08 2.35 -1.65 -3.26 115.58 114.38 2ctf h ASN 48 Ca -0.14 -0.36 -0.03 0.00 -0.55 0.00 0.00 56.30 55.22 2ctf h ASN 48 Cb 1.14 -0.14 0.00 0.00 0.05 0.00 0.00 38.32 39.37 2ctf h ASN 48 CO -0.07 1.16 -0.09 -0.07 -1.65 0.00 0.00 177.43 176.71 2ctf h LEU 49 N 0.19 0.12 -0.94 1.61 3.38 -1.76 -3.22 115.31 114.69 2ctf h LEU 49 Ca -0.07 -0.64 0.28 0.00 0.09 0.00 0.00 57.88 57.53 2ctf h LEU 49 Cb 1.57 -0.04 -0.15 0.00 0.09 0.00 0.00 40.66 42.13 2ctf h LEU 49 CO 0.16 0.75 0.39 0.00 0.09 0.00 0.00 178.44 179.82 2ctf h ALA 50 N 0.38 1.60 0.82 1.53 0.00 -1.75 -0.23 119.26 121.61 2ctf h ALA 50 Ca -0.01 0.21 -0.04 0.00 0.00 0.00 0.00 54.91 55.08 2ctf h ALA 50 Cb 0.74 0.25 0.01 0.00 0.00 0.00 0.00 17.79 18.79 2ctf h ALA 50 CO 0.02 -0.52 -0.39 -0.22 0.00 0.00 0.00 179.25 178.13 2ctf h LYS 51 N 0.26 -1.06 -0.05 0.00 1.63 -1.60 0.95 116.57 116.69 2ctf h LYS 51 Ca 0.64 0.07 0.03 0.00 -0.85 0.00 0.00 60.65 60.54 2ctf h LYS 51 Cb 1.39 0.24 -0.06 0.00 -0.60 0.00 0.00 32.23 33.20 2ctf h LYS 51 CO -0.64 -0.71 -0.49 0.82 -3.45 0.00 0.00 179.45 174.98 2ctf h ILE 52 N -1.10 0.06 -0.92 2.00 2.04 -1.28 0.67 117.51 118.98 2ctf h ILE 52 Ca -0.11 0.00 0.16 0.00 1.00 0.00 0.00 64.86 65.91 2ctf h ILE 52 Cb 0.84 0.06 -0.08 0.00 -0.74 0.00 0.00 36.82 36.91 2ctf h ILE 52 CO 0.18 0.00 0.59 0.00 0.00 0.00 0.00 178.15 178.92 2ctf h THR 53 N -0.60 0.79 -0.58 -0.27 1.03 -1.12 0.51 112.91 112.67 2ctf h THR 53 Ca 0.04 -0.23 -0.08 0.00 -0.01 0.00 0.00 66.41 66.13 2ctf h THR 53 Cb 0.69 0.06 -0.02 0.00 -1.07 0.00 0.00 68.15 67.81 2ctf h THR 53 CO -0.37 0.12 0.07 -0.61 -0.01 0.00 0.00 175.52 174.71 2ctf h GLN 54 N 0.67 0.98 0.00 0.00 4.15 0.74 -1.80 115.11 119.85 2ctf h GLN 54 Ca 0.48 -0.28 -0.15 0.00 0.77 0.00 0.00 58.65 59.47 2ctf h GLN 54 Cb 0.82 -0.11 -0.02 0.00 0.21 0.00 0.00 27.48 28.38 2ctf h GLN 54 CO -0.23 0.94 -0.71 0.37 -1.93 0.00 0.00 178.83 177.27 2ctf h GLN 55 N 0.87 0.00 -2.63 1.69 4.15 0.84 -3.39 115.11 116.65 2ctf h GLN 55 Ca 0.17 0.00 -0.60 0.00 0.77 0.00 0.00 58.65 58.99 2ctf h GLN 55 Cb 0.46 0.00 -0.39 0.00 0.21 0.00 0.00 27.48 27.75 2ctf h GLN 55 CO 0.02 0.71 -0.84 -1.64 -1.93 0.00 0.00 178.83 175.16 2ctf s MET 56 N -3.02 1.37 0.32 1.69 -1.94 0.16 -4.95 119.30 112.92 2ctf s MET 56 Ca 0.01 -2.43 0.11 0.00 -1.71 0.00 0.00 55.69 51.68 2ctf s MET 56 Cb 0.10 -2.06 0.53 0.00 2.01 0.00 0.00 34.83 35.40 2ctf s MET 56 CO 0.77 -1.33 1.72 -1.00 -0.01 0.00 0.00 175.02 175.16 2ctf h PRO 57 N 5.71 0.03 0.00 2.03 0.13 -1.53 -2.88 132.00 135.49 2ctf h PRO 57 Ca 0.20 -0.02 -0.03 0.00 -0.87 0.00 0.00 66.00 65.29 2ctf h PRO 57 Cb 0.87 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.00 2ctf h PRO 57 CO 0.47 0.51 -0.12 0.87 -0.23 0.00 0.00 178.00 179.50 2ctf h LYS 58 N 0.02 0.00 -6.01 0.86 1.57 -1.92 -3.41 116.57 107.68 2ctf h LYS 58 Ca -0.00 0.00 -0.57 0.00 -1.87 0.00 0.00 60.65 58.21 2ctf h LYS 58 Cb 0.87 0.00 -0.06 0.00 0.08 0.00 0.00 32.23 33.12 2ctf h LYS 58 CO 0.06 0.12 -0.05 0.08 -0.57 0.00 0.00 179.45 179.10 2ctf s VAL 59 N -4.45 4.98 -0.28 0.50 1.01 -1.09 -4.24 120.40 116.83 2ctf s VAL 59 Ca -0.04 1.17 -0.07 0.00 0.00 0.00 0.00 61.98 63.04 2ctf s VAL 59 Cb 0.14 -3.90 -0.01 0.00 0.00 0.00 0.00 36.38 32.62 2ctf s VAL 59 CO 0.62 0.40 0.09 -2.28 0.00 0.00 0.00 175.10 173.93 2ctf s HIS 60 N -0.04 3.12 -0.11 5.22 2.46 0.54 -4.91 115.29 121.57 2ctf s HIS 60 Ca 0.30 -0.70 -0.21 0.00 0.47 0.00 0.00 55.06 54.92 2ctf s HIS 60 Cb -0.17 -2.26 -0.04 0.00 -0.13 0.00 0.00 32.58 29.98 2ctf s HIS 60 CO 0.16 -0.47 0.61 0.42 -2.47 0.00 0.00 174.74 172.98 2ctf s ILE 61 N 1.56 5.09 0.14 0.89 1.01 -1.26 -2.46 121.20 126.17 2ctf s ILE 61 Ca 0.04 1.22 0.10 0.00 0.00 0.00 0.00 60.65 62.01 2ctf s ILE 61 Cb -0.16 -3.94 -0.04 0.00 0.01 0.00 0.00 42.46 38.33 2ctf s ILE 61 CO 0.03 0.25 -0.24 -0.70 0.00 0.00 0.00 174.94 174.28 2ctf s GLU 62 N 0.98 1.33 -0.04 2.79 2.56 -0.70 -4.99 118.70 120.63 2ctf s GLU 62 Ca 0.32 -1.34 -0.01 0.00 0.00 0.00 0.00 54.97 53.94 2ctf s GLU 62 Cb -0.16 -1.68 0.03 0.00 2.00 0.00 0.00 34.13 34.31 2ctf s GLU 62 CO 0.14 0.38 0.03 -0.06 -0.56 0.00 0.00 175.26 175.19 2ctf s PHE 63 N -1.31 0.21 -0.01 5.30 0.08 -1.26 -3.26 117.98 117.73 2ctf s PHE 63 Ca 0.13 0.11 0.06 0.00 0.12 0.00 0.00 56.93 57.36 2ctf s PHE 63 Cb -0.09 -0.47 -0.02 0.00 -0.57 0.00 0.00 43.02 41.87 2ctf s PHE 63 CO 0.06 -0.18 -0.21 0.99 -0.10 0.00 0.00 175.22 175.79 2ctf s THR 64 N 1.67 1.63 -0.02 0.64 2.01 -1.19 -5.06 115.64 115.32 2ctf s THR 64 Ca -0.01 -0.92 -0.03 0.00 0.31 0.00 0.00 61.69 61.04 2ctf s THR 64 Cb -0.13 -1.36 -0.02 0.00 0.01 0.00 0.00 72.50 71.00 2ctf s THR 64 CO -0.03 0.43 0.28 -0.33 -0.69 0.00 0.00 174.62 174.28 2ctf h GLU 65 N 5.53 -0.11 0.30 4.92 3.07 -1.98 -3.02 114.58 123.30 2ctf h GLU 65 Ca -0.40 0.01 -0.01 0.00 -0.50 0.00 0.00 59.36 58.46 2ctf h GLU 65 Cb 1.14 0.02 -0.01 0.00 -0.84 0.00 0.00 28.75 29.07 2ctf h GLU 65 CO 0.47 -0.07 -0.24 0.78 -1.40 0.00 0.00 179.01 178.55 2ctf h GLY 66 N -0.37 -0.90 0.51 -3.84 0.00 -1.99 -1.77 103.07 94.71 2ctf h GLY 66 Ca -0.01 0.39 0.09 0.00 0.00 0.00 0.00 47.33 47.80 2ctf h GLY 66 CO 0.02 -0.30 0.66 0.83 0.00 0.00 0.00 176.54 177.75 2ctf h GLU 67 N -0.53 0.00 -6.77 4.80 4.39 -2.00 -3.44 114.58 111.03 2ctf h GLU 67 Ca -0.04 0.00 -0.56 0.00 0.34 0.00 0.00 59.36 59.10 2ctf h GLU 67 Cb 0.44 0.00 -0.10 0.00 -0.10 0.00 0.00 28.75 28.99 2ctf h GLU 67 CO 0.00 0.00 -0.94 -0.25 -1.16 0.00 0.00 179.01 176.66 2ctf n ASP 68 N -3.10 -0.83 -3.66 1.42 8.00 -0.67 -4.94 116.55 112.77 2ctf n ASP 68 Ca 0.06 -1.16 -0.10 0.00 0.71 0.00 0.00 54.79 54.29 2ctf n ASP 68 Cb 0.78 -2.30 -0.04 0.00 -0.02 0.00 0.00 41.12 39.54 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 -6.96 1.22 -0.19 -1.24 -2.85 -1.18 -3.51 119.74 105.03 2ctf s LYS 69 Ca 0.12 -0.76 -0.04 0.00 -1.00 0.00 0.00 55.97 54.28 2ctf s LYS 69 Cb -0.06 0.50 -0.02 0.00 -2.06 0.00 0.00 37.83 36.19 2ctf s LYS 69 CO 0.94 -0.50 -0.02 0.42 0.10 0.00 0.00 175.35 176.29 2ctf s ILE 70 N -3.83 3.76 -0.28 3.79 1.01 -0.39 -3.20 121.20 122.07 2ctf s ILE 70 Ca 0.06 -0.38 -0.11 0.00 0.00 0.00 0.00 60.65 60.22 2ctf s ILE 70 Cb 0.00 -2.69 -0.05 0.00 0.01 0.00 0.00 42.46 39.74 2ctf s ILE 70 CO -0.08 0.44 0.19 -0.89 0.00 0.00 0.00 174.94 174.60 2ctf s THR 71 N 0.95 5.31 -0.08 2.92 2.01 -1.20 -0.03 115.64 125.52 2ctf s THR 71 Ca 0.01 0.18 -0.01 0.00 0.31 0.00 0.00 61.69 62.18 2ctf s THR 71 Cb -0.14 -3.53 -0.03 0.00 0.01 0.00 0.00 72.50 68.80 2ctf s THR 71 CO 0.01 0.26 -0.03 -0.76 -0.69 0.00 0.00 174.62 173.41 2ctf s LEU 72 N 1.70 3.41 -0.06 4.42 2.01 0.86 -1.72 118.68 129.30 2ctf s LEU 72 Ca 0.07 0.07 0.01 0.00 0.01 0.00 0.00 54.13 54.29 2ctf s LEU 72 Cb -0.16 -1.77 0.02 0.00 0.01 0.00 0.00 46.19 44.30 2ctf s LEU 72 CO 0.10 0.37 -0.06 -0.70 1.01 0.00 0.00 176.35 177.07 2ctf s GLU 73 N -0.83 1.02 0.00 1.70 2.12 -1.03 -2.02 118.70 119.66 2ctf s GLU 73 Ca 0.13 -0.15 0.00 0.00 0.36 0.00 0.00 54.97 55.30 2ctf s GLU 73 Cb -0.11 -1.01 0.00 0.00 0.26 0.00 0.00 34.13 33.27 2ctf s GLU 73 CO 0.02 -0.10 0.00 0.41 -0.54 0.00 0.00 175.26 175.05 2ctf n GLY 74 N 4.17 -0.91 3.70 -1.50 0.00 -0.68 -0.34 105.19 109.64 2ctf n GLY 74 Ca -0.22 -1.38 -0.42 0.00 0.00 0.00 0.00 46.02 44.00 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 -1.99 4.30 0.54 1.61 0.04 -1.26 -1.09 135.00 137.15 2ctf s PRO 75 Ca 0.00 2.04 0.46 0.00 0.04 0.00 0.00 61.00 63.54 2ctf s PRO 75 Cb 0.00 -3.41 1.68 0.00 0.04 0.00 0.00 34.50 32.81 2ctf s PRO 75 CO 0.00 -0.51 1.60 0.00 0.04 0.00 0.00 177.00 178.14 2ctf h THR 76 N 4.57 0.06 0.42 1.26 1.03 -1.82 0.49 112.91 118.92 2ctf h THR 76 Ca -0.40 -0.00 -0.02 0.00 -0.01 0.00 0.00 66.41 65.97 2ctf h THR 76 Cb 1.20 0.05 0.00 0.00 -1.07 0.00 0.00 68.15 68.33 2ctf h THR 76 CO 0.88 0.00 -0.21 -0.08 -0.01 0.00 0.00 175.52 176.10 2ctf h GLU 77 N 0.01 -0.56 0.11 0.00 4.57 -1.89 -1.14 114.58 115.68 2ctf h GLU 77 Ca 0.89 0.04 -0.14 0.00 -1.18 0.00 0.00 59.36 58.96 2ctf h GLU 77 Cb 3.46 0.13 0.02 0.00 -0.16 0.00 0.00 28.75 32.20 2ctf h GLU 77 CO -0.07 -0.37 -0.62 -0.44 -1.18 0.00 0.00 179.01 176.32 2ctf h ASP 78 N -0.58 0.36 -0.88 1.04 3.32 -0.60 -3.28 116.42 115.80 2ctf h ASP 78 Ca -0.06 -0.96 0.20 0.00 0.02 0.00 0.00 57.03 56.24 2ctf h ASP 78 Cb 0.45 -0.12 -0.12 0.00 0.22 0.00 0.00 39.33 39.77 2ctf h ASP 78 CO 0.09 1.30 0.40 0.58 -1.72 0.00 0.00 179.24 179.88 2ctf h VAL 79 N -0.51 0.53 -0.55 -1.35 2.07 -0.58 0.35 116.25 116.22 2ctf h VAL 79 Ca -0.11 -0.15 -0.03 0.00 0.82 0.00 0.00 66.70 67.23 2ctf h VAL 79 Cb 1.49 0.05 -0.03 0.00 -1.52 0.00 0.00 31.29 31.28 2ctf h VAL 79 CO 0.12 0.08 0.20 -1.28 0.02 0.00 0.00 177.57 176.71 2ctf h SER 80 N 0.44 0.73 0.11 0.57 0.87 -1.31 0.26 113.55 115.23 2ctf h SER 80 Ca 0.53 -0.10 -0.01 0.00 -1.23 0.00 0.00 61.79 60.99 2ctf h SER 80 Cb 0.96 -0.19 0.00 0.00 -0.44 0.00 0.00 62.40 62.73 2ctf h SER 80 CO -0.49 0.67 -0.05 0.58 -0.53 0.00 0.00 176.83 177.01 2ctf h VAL 81 N 0.79 0.99 0.27 2.23 2.07 -0.53 -2.32 116.25 119.75 2ctf h VAL 81 Ca 0.19 -1.31 0.00 0.00 0.82 0.00 0.00 66.70 66.40 2ctf h VAL 81 Cb 0.18 1.71 -0.02 0.00 -1.52 0.00 0.00 31.29 31.64 2ctf h VAL 81 CO -0.01 0.27 -0.28 0.00 0.02 0.00 0.00 177.57 177.57 2ctf h ALA 82 N -0.22 -0.57 -0.72 1.67 0.00 -0.64 0.14 119.26 118.92 2ctf h ALA 82 Ca -0.02 -0.09 0.08 0.00 0.00 0.00 0.00 54.91 54.89 2ctf h ALA 82 Cb 0.56 0.40 -0.07 0.00 0.00 0.00 0.00 17.79 18.68 2ctf h ALA 82 CO 0.02 -0.86 0.38 -0.56 0.00 0.00 0.00 179.25 178.24 2ctf h GLN 83 N -0.58 0.64 -0.34 0.00 3.07 -1.08 -1.47 115.11 115.36 2ctf h GLN 83 Ca -0.01 -0.04 -0.02 0.00 0.09 0.00 0.00 58.65 58.68 2ctf h GLN 83 Cb 0.54 -0.15 -0.01 0.00 0.08 0.00 0.00 27.48 27.94 2ctf h GLN 83 CO -0.06 0.43 0.14 1.49 0.09 0.00 0.00 178.83 180.91 2ctf h GLU 84 N 0.66 0.50 -1.00 0.06 4.81 -1.03 -0.72 114.58 117.86 2ctf h GLU 84 Ca 0.35 -0.09 0.07 0.00 -0.13 0.00 0.00 59.36 59.56 2ctf h GLU 84 Cb 0.32 -0.08 -0.07 0.00 0.63 0.00 0.00 28.75 29.55 2ctf h GLU 84 CO -0.24 0.49 0.65 1.96 -0.73 0.00 0.00 179.01 181.13 2ctf h GLN 85 N 0.40 1.12 -0.23 1.92 4.20 -0.03 -1.89 115.11 120.60 2ctf h GLN 85 Ca 0.11 -0.07 -0.18 0.00 0.06 0.00 0.00 58.65 58.57 2ctf h GLN 85 Cb 0.17 -0.25 -0.00 0.00 0.30 0.00 0.00 27.48 27.70 2ctf h GLN 85 CO -0.01 0.74 -0.58 0.82 -0.67 0.00 0.00 178.83 179.13 2ctf h ILE 86 N 1.16 1.29 0.00 2.54 2.04 -1.01 -2.86 117.51 120.67 2ctf h ILE 86 Ca 0.44 -1.80 -0.00 0.00 1.00 0.00 0.00 64.86 64.50 2ctf h ILE 86 Cb 0.20 1.73 -0.00 0.00 -0.74 0.00 0.00 36.82 38.01 2ctf h ILE 86 CO -0.18 0.57 -0.00 -0.33 0.00 0.00 0.00 178.15 178.21 2ctf h GLU 87 N 0.57 0.00 0.03 2.37 5.08 -0.34 0.02 114.58 122.30 2ctf h GLU 87 Ca 0.00 0.00 -0.16 0.00 -1.00 0.00 0.00 59.36 58.20 2ctf h GLU 87 Cb 1.17 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.41 2ctf h GLU 87 CO 0.12 0.00 -0.85 0.78 -1.00 0.00 0.00 179.01 178.06 2ctf h GLY 88 N 0.07 0.06 2.00 -3.84 0.00 -1.25 -3.08 103.07 97.03 2ctf h GLY 88 Ca -0.00 -0.16 -0.06 0.00 0.00 0.00 0.00 47.33 47.11 2ctf h GLY 88 CO 0.00 0.14 -0.28 0.00 0.00 0.00 0.00 176.54 176.41 2ctf h MET 89 N -0.85 0.00 0.25 4.80 -0.00 -1.27 -2.23 114.93 115.62 2ctf h MET 89 Ca -0.22 0.00 -0.01 0.00 -0.00 0.00 0.00 59.70 59.47 2ctf h MET 89 Cb 1.30 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.90 2ctf h MET 89 CO -0.08 0.28 -0.12 0.28 -0.00 0.00 0.00 176.91 177.27 2ctf h VAL 90 N 0.00 0.48 -0.51 -0.10 2.07 -1.14 -1.89 116.25 115.15 2ctf h VAL 90 Ca -0.00 -0.92 0.08 0.00 0.82 0.00 0.00 66.70 66.68 2ctf h VAL 90 Cb 0.56 0.80 -0.06 0.00 -1.52 0.00 0.00 31.29 31.07 2ctf h VAL 90 CO 0.04 0.12 0.16 0.50 0.02 0.00 0.00 177.57 178.41 2ctf h LYS 91 N -0.98 0.31 -0.69 1.57 3.64 -1.53 -1.05 116.57 117.84 2ctf h LYS 91 Ca -0.03 -0.02 -0.02 0.00 -1.27 0.00 0.00 60.65 59.31 2ctf h LYS 91 Cb 0.46 -0.07 -0.03 0.00 -0.41 0.00 0.00 32.23 32.18 2ctf h LYS 91 CO 0.06 0.21 0.36 0.22 -2.27 0.00 0.00 179.45 178.02 2ctf h ASP 92 N 0.32 0.88 -0.73 4.20 3.58 -1.50 0.17 116.42 123.33 2ctf h ASP 92 Ca 0.25 -0.11 0.02 0.00 0.42 0.00 0.00 57.03 57.61 2ctf h ASP 92 Cb 0.30 -0.22 -0.04 0.00 1.72 0.00 0.00 39.33 41.09 2ctf h ASP 92 CO -0.28 0.74 0.47 -0.07 -2.88 0.00 0.00 179.24 177.21 2ctf h LEU 93 N 0.95 0.78 -0.17 2.28 3.38 -0.45 -1.76 115.31 120.31 2ctf h LEU 93 Ca 0.24 -0.01 -0.23 0.00 0.09 0.00 0.00 57.88 57.98 2ctf h LEU 93 Cb 0.08 -0.18 0.01 0.00 0.09 0.00 0.00 40.66 40.66 2ctf h LEU 93 CO -0.03 0.55 -0.82 0.40 0.09 0.00 0.00 178.44 178.62 2ctf h ILE 94 N 0.92 1.29 0.00 1.22 2.04 -0.90 -3.08 117.51 119.01 2ctf h ILE 94 Ca 0.28 -2.04 -0.00 0.00 1.00 0.00 0.00 64.86 64.10 2ctf h ILE 94 Cb -0.02 2.06 -0.00 0.00 -0.74 0.00 0.00 36.82 38.12 2ctf h ILE 94 CO -0.09 0.64 -0.01 0.78 0.00 0.00 0.00 178.15 179.47 2ctf h ASN 95 N 0.48 0.00 -1.48 1.72 2.35 -0.32 -2.56 115.58 115.78 2ctf h ASN 95 Ca -0.06 0.00 -0.64 0.00 -0.55 0.00 0.00 56.30 55.05 2ctf h ASN 95 Cb 1.44 0.00 -0.23 0.00 0.05 0.00 0.00 38.32 39.58 2ctf h ASN 95 CO 0.16 0.01 0.78 -2.11 -1.65 0.00 0.00 177.43 174.63 2ctf n ARG 96 N -3.62 2.57 -0.08 0.81 1.85 -0.69 -4.49 116.66 113.00 2ctf n ARG 96 Ca -0.03 -2.98 -0.22 0.00 -1.00 0.00 0.00 57.85 53.62 2ctf n ARG 96 Cb 0.10 -2.19 -0.12 0.00 -1.05 0.00 0.00 32.46 29.20 2ctf n ARG 96 CO 0.00 0.00 0.00 1.03 -0.01 0.00 0.00 177.63 178.65 2ctf h SER 97 N 2.78 0.07 -1.05 2.89 0.87 -1.63 -3.49 113.55 113.99 2ctf h SER 97 Ca 0.50 -0.60 0.01 0.00 -1.23 0.00 0.00 61.79 60.47 2ctf h SER 97 Cb 0.40 -0.02 -0.00 0.00 -0.44 0.00 0.00 62.40 62.33 2ctf h SER 97 CO 1.23 1.53 0.07 0.61 -0.53 0.00 0.00 176.83 179.75 2ctf n GLY 98 N 1.53 1.45 0.24 5.77 0.00 -1.26 -5.05 105.19 107.86 2ctf n GLY 98 Ca -0.31 -0.99 -0.13 0.00 0.00 0.00 0.00 46.02 44.58 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 0.82 -4.18 1.61 0.13 -1.97 -3.44 132.00 124.97 2ctf h PRO 99 Ca -0.05 -0.43 -0.42 0.00 -0.87 0.00 0.00 66.00 64.23 2ctf h PRO 99 Cb 0.19 0.01 -0.07 0.00 0.13 0.00 0.00 31.00 31.26 2ctf h PRO 99 CO 0.06 1.07 1.45 0.45 -0.23 0.00 0.00 178.00 180.80 2ctf n SER 100 N -4.17 0.25 -4.03 1.44 2.88 -1.26 -4.86 113.62 103.88 2ctf n SER 100 Ca -0.03 0.16 -0.17 0.00 -1.33 0.00 0.00 58.87 57.51 2ctf n SER 100 Cb 0.51 -0.76 -0.14 0.00 -0.75 0.00 0.00 64.21 63.06 2ctf n SER 100 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 2ctf s SER 101 N 7.40 0.96 0.00 -3.46 0.15 -1.26 -5.07 113.70 112.41 2ctf s SER 101 Ca 1.13 -0.26 0.00 0.00 0.70 0.00 0.00 55.95 57.51 2ctf s SER 101 Cb -1.05 -0.07 0.00 0.00 -1.71 0.00 0.00 66.02 63.19 2ctf s SER 101 CO 0.41 0.02 0.00 0.61 1.20 0.00 0.00 173.24 175.48