#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ctf n SER 2 N 0.00 0.72 -4.12 1.61 2.88 -1.26 -5.10 113.62 108.35 2ctf n SER 2 Ca 0.00 0.00 -0.29 0.00 -1.33 0.00 0.00 58.87 57.25 2ctf n SER 2 Cb 0.00 0.00 0.23 0.00 -0.75 0.00 0.00 64.21 63.69 2ctf n SER 2 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 2ctf s SER 3 N -4.49 1.01 0.00 -3.46 0.01 -1.26 -4.96 113.70 100.56 2ctf s SER 3 Ca 0.00 0.98 0.00 0.00 1.31 0.00 0.00 55.95 58.24 2ctf s SER 3 Cb 0.00 -1.47 0.00 0.00 0.21 0.00 0.00 66.02 64.76 2ctf s SER 3 CO 0.00 -4.11 0.00 0.61 0.41 0.00 0.00 173.24 170.15 2ctf n GLY 4 N -0.26 -0.56 3.71 3.44 0.00 -1.26 -5.09 105.19 105.17 2ctf n GLY 4 Ca 0.09 -2.26 -0.27 0.00 0.00 0.00 0.00 46.02 43.57 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 -0.87 4.20 0.09 1.61 0.15 -1.26 -5.15 113.70 112.46 2ctf s SER 5 Ca 0.00 -1.26 0.08 0.00 0.70 0.00 0.00 55.95 55.47 2ctf s SER 5 Cb 0.00 -0.29 -0.03 0.00 -1.71 0.00 0.00 66.02 63.99 2ctf s SER 5 CO 0.00 -0.57 -0.20 -0.44 1.20 0.00 0.00 173.24 173.23 2ctf s SER 6 N -3.85 2.41 0.00 5.45 0.01 -1.26 -5.09 113.70 111.37 2ctf s SER 6 Ca 0.35 -0.66 0.00 0.00 1.31 0.00 0.00 55.95 56.95 2ctf s SER 6 Cb 0.06 -0.13 0.00 0.00 0.21 0.00 0.00 66.02 66.15 2ctf s SER 6 CO 0.19 0.05 0.00 0.61 0.41 0.00 0.00 173.24 174.50 2ctf n GLY 7 N 1.19 -0.06 3.51 3.44 0.00 -1.26 -5.16 105.19 106.84 2ctf n GLY 7 Ca -0.19 0.61 -0.33 0.00 0.00 0.00 0.00 46.02 46.10 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 2.99 1.18 1.61 -1.05 -1.26 -5.12 118.70 117.05 2ctf s GLU 8 Ca 0.00 -0.60 -0.18 0.00 -0.15 0.00 0.00 54.97 54.04 2ctf s GLU 8 Cb 0.00 -2.61 0.28 0.00 -0.44 0.00 0.00 34.13 31.35 2ctf s GLU 8 CO 0.00 0.49 1.11 -1.25 0.95 0.00 0.00 175.26 176.56 2ctf s PRO 9 N -0.36 -1.03 0.43 -4.83 0.04 -1.26 -4.96 135.00 123.02 2ctf s PRO 9 Ca 0.05 0.00 -0.25 0.00 0.04 0.00 0.00 61.00 60.84 2ctf s PRO 9 Cb -0.12 -1.61 -0.10 0.00 0.04 0.00 0.00 34.50 32.71 2ctf s PRO 9 CO 0.02 -3.60 1.30 -0.85 0.04 0.00 0.00 177.00 173.91 2ctf n GLU 10 N -4.69 1.99 -4.03 4.56 0.28 -1.26 -4.99 120.64 112.49 2ctf n GLU 10 Ca 0.12 0.71 -0.34 0.00 -0.16 0.00 0.00 57.16 57.49 2ctf n GLU 10 Cb 0.59 -2.43 -0.15 0.00 1.43 0.00 0.00 31.44 30.88 2ctf n GLU 10 CO 0.00 0.00 0.00 -1.59 -0.16 0.00 0.00 177.13 175.38 2ctf s LYS 11 N -2.25 3.16 -0.20 3.44 -2.85 -1.26 -5.04 119.74 114.75 2ctf s LYS 11 Ca 0.61 -0.74 0.01 0.00 -1.00 0.00 0.00 55.97 54.85 2ctf s LYS 11 Cb -0.50 -2.76 0.04 0.00 -2.06 0.00 0.00 37.83 32.55 2ctf s LYS 11 CO 0.58 -0.20 -0.13 -0.51 0.10 0.00 0.00 175.35 175.19 2ctf s LEU 12 N 1.37 2.43 -1.24 2.77 1.43 -1.26 -5.05 118.68 119.12 2ctf s LEU 12 Ca 0.05 -0.91 -0.20 0.00 -1.03 0.00 0.00 54.13 52.05 2ctf s LEU 12 Cb -0.14 -1.34 -0.01 0.00 0.03 0.00 0.00 46.19 44.73 2ctf s LEU 12 CO -0.09 -0.12 1.84 0.61 0.23 0.00 0.00 176.35 178.83 2ctf n GLY 13 N 4.63 1.91 3.68 -3.19 0.00 -1.26 -4.93 105.19 106.02 2ctf n GLY 13 Ca -0.16 -1.10 -0.38 0.00 0.00 0.00 0.00 46.02 44.37 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 5.25 4.21 -1.58 1.61 2.00 -1.26 -4.26 119.66 125.63 2ctf s GLN 14 Ca 0.60 0.28 -0.13 0.00 -2.00 0.00 0.00 55.36 54.12 2ctf s GLN 14 Cb 0.02 -3.52 0.10 0.00 0.80 0.00 0.00 33.01 30.41 2ctf s GLN 14 CO 0.10 -0.02 0.76 0.00 -0.50 0.00 0.00 175.29 175.63 2ctf n ALA 15 N 4.38 -1.46 -3.69 1.58 0.00 -1.26 -1.38 120.51 118.67 2ctf n ALA 15 Ca -0.07 -0.01 -0.27 0.00 0.00 0.00 0.00 53.44 53.09 2ctf n ALA 15 Cb 0.51 -3.28 -0.06 0.00 0.00 0.00 0.00 19.45 16.61 2ctf n ALA 15 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2ctf n LEU 16 N -4.47 -0.62 -4.96 0.00 4.77 -1.26 -4.87 117.00 105.60 2ctf n LEU 16 Ca -0.03 -0.89 -0.25 0.00 -0.03 0.00 0.00 56.01 54.81 2ctf n LEU 16 Cb 0.55 -1.12 0.10 0.00 -2.33 0.00 0.00 43.42 40.62 2ctf n LEU 16 CO 0.80 0.18 0.61 0.42 -1.33 0.00 0.00 177.39 178.07 2ctf s THR 17 N -3.14 2.22 -0.91 -5.08 -4.23 -0.48 -5.03 115.64 98.98 2ctf s THR 17 Ca 0.35 -0.37 -0.10 0.00 -1.18 0.00 0.00 61.69 60.38 2ctf s THR 17 Cb -0.20 -2.85 0.23 0.00 1.34 0.00 0.00 72.50 71.02 2ctf s THR 17 CO 0.71 0.00 0.86 -0.70 -0.54 0.00 0.00 174.62 174.95 2ctf s GLU 18 N -5.27 3.70 1.05 3.99 2.56 -1.26 -4.85 118.70 118.61 2ctf s GLU 18 Ca 0.64 -2.80 -0.13 0.00 0.00 0.00 0.00 54.97 52.69 2ctf s GLU 18 Cb -0.08 -4.38 0.17 0.00 2.00 0.00 0.00 34.13 31.85 2ctf s GLU 18 CO 0.45 -1.26 0.79 0.28 -0.56 0.00 0.00 175.26 174.96 2ctf n VAL 19 N 3.36 0.00 1.13 3.70 0.31 -1.26 -4.87 118.33 120.71 2ctf n VAL 19 Ca 0.17 -0.23 0.02 0.00 -0.01 0.00 0.00 64.34 64.29 2ctf n VAL 19 Cb 0.43 -0.87 0.08 0.00 -0.91 0.00 0.00 33.84 32.57 2ctf n VAL 19 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2ctf n TYR 20 N -4.42 0.31 -0.71 3.52 0.18 -1.26 -4.38 117.16 110.40 2ctf n TYR 20 Ca 0.06 -0.13 -0.06 0.00 1.88 0.00 0.00 57.90 59.66 2ctf n TYR 20 Cb 0.55 -0.07 -0.08 0.00 -0.38 0.00 0.00 39.34 39.35 2ctf n TYR 20 CO 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 176.86 174.78 2ctf n ALA 21 N 0.04 4.99 -3.86 -3.48 0.00 -1.26 -4.69 120.51 112.25 2ctf n ALA 21 Ca 0.06 -0.87 -0.33 0.00 0.00 0.00 0.00 53.44 52.30 2ctf n ALA 21 Cb 0.26 -1.68 -0.12 0.00 0.00 0.00 0.00 19.45 17.91 2ctf n ALA 21 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 2ctf s LYS 22 N 0.60 2.16 -1.25 0.00 -0.14 -1.26 -4.95 119.74 114.89 2ctf s LYS 22 Ca 0.32 -2.48 -0.16 0.00 -1.36 0.00 0.00 55.97 52.29 2ctf s LYS 22 Cb 0.15 -3.48 0.12 0.00 -1.68 0.00 0.00 37.83 32.95 2ctf s LYS 22 CO 0.00 -1.12 1.58 0.00 -0.76 0.00 0.00 175.35 175.06 2ctf s ALA 23 N -0.03 3.68 -1.11 5.17 0.00 -1.26 -4.28 121.76 123.93 2ctf s ALA 23 Ca 0.16 -3.16 -0.06 0.00 0.00 0.00 0.00 51.96 48.91 2ctf s ALA 23 Cb -0.23 -4.38 0.01 0.00 0.00 0.00 0.00 23.12 18.52 2ctf s ALA 23 CO -0.02 -3.02 0.96 0.09 0.00 0.00 0.00 175.76 173.77 2ctf n ASN 24 N 6.95 -4.83 -3.63 0.00 5.03 -1.26 -2.65 115.26 114.88 2ctf n ASN 24 Ca 0.43 -0.47 -0.23 0.00 0.87 0.00 0.00 54.58 55.18 2ctf n ASN 24 Cb 0.44 -4.34 0.06 0.00 -1.02 0.00 0.00 39.78 34.93 2ctf n ASN 24 CO 0.00 0.00 0.00 -1.20 -1.83 0.00 0.00 177.26 174.23 2ctf n SER 25 N -2.42 -3.83 -4.00 6.41 7.64 -1.26 -4.99 113.62 111.17 2ctf n SER 25 Ca -0.05 -0.66 -0.30 0.00 1.01 0.00 0.00 58.87 58.86 2ctf n SER 25 Cb 0.57 -4.66 -0.16 0.00 -1.01 0.00 0.00 64.21 58.95 2ctf n SER 25 CO 0.00 0.00 0.00 0.12 -3.01 0.00 0.00 175.04 172.15 2ctf s PHE 26 N -3.40 2.36 -0.02 1.43 5.36 -1.08 -3.86 117.98 118.78 2ctf s PHE 26 Ca 0.32 -1.53 0.03 0.00 -0.96 0.00 0.00 56.93 54.79 2ctf s PHE 26 Cb -0.15 -1.62 0.00 0.00 -0.34 0.00 0.00 43.02 40.91 2ctf s PHE 26 CO 0.76 -0.73 -0.09 0.99 -1.46 0.00 0.00 175.22 174.70 2ctf s THR 27 N 1.42 0.75 -0.20 0.12 2.01 0.19 -4.22 115.64 115.69 2ctf s THR 27 Ca -0.00 -0.36 0.01 0.00 0.31 0.00 0.00 61.69 61.64 2ctf s THR 27 Cb -0.16 -0.66 0.05 0.00 0.01 0.00 0.00 72.50 71.74 2ctf s THR 27 CO -0.09 0.23 -0.09 -0.69 -0.69 0.00 0.00 174.62 173.30 2ctf s VAL 28 N 0.07 1.57 0.29 3.82 1.01 -1.26 -1.37 120.40 124.53 2ctf s VAL 28 Ca -0.01 -1.02 0.09 0.00 0.00 0.00 0.00 61.98 61.04 2ctf s VAL 28 Cb -0.07 -1.69 -0.06 0.00 0.00 0.00 0.00 36.38 34.56 2ctf s VAL 28 CO 0.00 0.11 -0.10 -0.55 0.00 0.00 0.00 175.10 174.56 2ctf s SER 29 N 1.42 3.16 0.22 3.32 0.15 -1.03 -4.94 113.70 115.99 2ctf s SER 29 Ca -0.02 -1.14 0.11 0.00 0.70 0.00 0.00 55.95 55.60 2ctf s SER 29 Cb -0.17 -0.24 -0.05 0.00 -1.71 0.00 0.00 66.02 63.86 2ctf s SER 29 CO -0.08 -0.21 -0.23 -0.94 1.20 0.00 0.00 173.24 172.98 2ctf s SER 30 N -3.48 3.46 -0.11 5.45 1.04 -1.26 0.05 113.70 118.84 2ctf s SER 30 Ca 0.29 -0.91 0.01 0.00 0.48 0.00 0.00 55.95 55.82 2ctf s SER 30 Cb 0.01 -0.26 0.02 0.00 0.10 0.00 0.00 66.02 65.89 2ctf s SER 30 CO 0.13 0.09 -0.14 -0.69 0.98 0.00 0.00 173.24 173.62 2ctf s VAL 31 N -1.91 1.41 -0.21 5.02 1.01 0.11 -4.97 120.40 120.86 2ctf s VAL 31 Ca 0.23 -0.58 -0.32 0.00 0.00 0.00 0.00 61.98 61.32 2ctf s VAL 31 Cb -0.07 -1.31 -0.09 0.00 0.00 0.00 0.00 36.38 34.92 2ctf s VAL 31 CO 0.11 0.43 2.13 0.00 0.00 0.00 0.00 175.10 177.76 2ctf n ALA 32 N 4.33 1.38 -3.33 5.51 0.00 -1.26 -2.30 120.51 124.85 2ctf n ALA 32 Ca -0.18 -0.05 -0.14 0.00 0.00 0.00 0.00 53.44 53.07 2ctf n ALA 32 Cb 0.51 -2.71 -0.09 0.00 0.00 0.00 0.00 19.45 17.16 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 6.86 -1.07 1.00 0.00 0.00 -1.26 -4.95 121.76 122.34 2ctf s ALA 33 Ca 1.01 1.05 0.00 0.00 0.00 0.00 0.00 51.96 54.02 2ctf s ALA 33 Cb -0.57 -0.50 0.00 0.00 0.00 0.00 0.00 23.12 22.05 2ctf s ALA 33 CO 0.43 -0.23 0.00 -0.35 0.00 0.00 0.00 175.76 175.61 2ctf n PRO 34 N 2.38 -0.82 0.00 0.00 -0.04 -1.26 -3.39 135.00 131.87 2ctf n PRO 34 Ca -0.15 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.31 2ctf n PRO 34 Cb 0.57 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.03 2ctf n PRO 34 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 2ctf n SER 35 N -2.69 2.37 0.24 3.54 3.41 -1.26 -4.61 113.62 114.61 2ctf n SER 35 Ca 0.00 0.00 0.17 0.00 -0.26 0.00 0.00 58.87 58.78 2ctf n SER 35 Cb 0.00 0.20 0.75 0.00 -0.26 0.00 0.00 64.21 64.90 2ctf n SER 35 CO 0.00 0.00 0.00 4.11 -0.16 0.00 0.00 175.04 178.99 2ctf h TRP 36 N 0.00 0.00 -0.59 7.33 5.08 -2.01 0.47 115.95 126.23 2ctf h TRP 36 Ca 0.00 0.00 -0.33 0.00 1.08 0.00 0.00 58.89 59.64 2ctf h TRP 36 Cb 0.49 0.00 -0.20 0.00 -3.00 0.00 0.00 29.16 26.46 2ctf h TRP 36 CO 0.00 0.00 0.11 1.47 -1.28 0.00 0.00 178.44 178.74 2ctf n LEU 37 N -3.17 5.12 0.23 0.11 -0.00 -1.26 -4.59 117.00 113.44 2ctf n LEU 37 Ca 0.02 -3.87 0.11 0.00 -0.00 0.00 0.00 56.01 52.27 2ctf n LEU 37 Cb 0.51 -0.69 0.47 0.00 -0.00 0.00 0.00 43.42 43.71 2ctf n LEU 37 CO 0.18 1.31 0.83 0.45 -0.00 0.00 0.00 177.39 180.15 2ctf h HIS 38 N 1.18 0.00 0.01 1.47 3.86 -0.35 0.35 115.15 121.66 2ctf h HIS 38 Ca 0.37 0.00 -0.25 0.00 -1.16 0.00 0.00 60.37 59.33 2ctf h HIS 38 Cb 1.86 0.00 -0.04 0.00 1.06 0.00 0.00 27.41 30.30 2ctf h HIS 38 CO 1.20 0.18 -1.28 -0.09 0.86 0.00 0.00 177.93 178.80 2ctf h ARG 39 N 0.00 0.02 0.15 2.45 9.65 -1.81 -3.24 114.38 121.60 2ctf h ARG 39 Ca -0.00 -0.03 -0.29 0.00 -1.10 0.00 0.00 59.98 58.55 2ctf h ARG 39 Cb 0.74 0.01 0.00 0.00 -1.39 0.00 0.00 29.97 29.33 2ctf h ARG 39 CO 0.02 0.83 -1.47 0.74 2.80 0.00 0.00 179.97 182.89 2ctf h PHE 40 N 0.00 0.56 -0.08 2.20 0.04 -1.85 -2.54 116.94 115.27 2ctf h PHE 40 Ca -0.12 -0.41 0.02 0.00 2.80 0.00 0.00 57.97 60.26 2ctf h PHE 40 Cb 1.87 -0.02 -0.00 0.00 2.20 0.00 0.00 35.95 40.00 2ctf h PHE 40 CO 0.00 1.57 0.07 0.97 -0.60 0.00 0.00 178.31 180.33 2ctf h ILE 41 N -0.16 0.71 0.00 -0.55 2.10 -1.08 -2.97 117.51 115.56 2ctf h ILE 41 Ca -0.30 0.00 -0.17 0.00 1.08 0.00 0.00 64.86 65.47 2ctf h ILE 41 Cb 1.87 0.95 -0.02 0.00 -1.09 0.00 0.00 36.82 38.53 2ctf h ILE 41 CO 0.11 0.00 -0.98 0.40 -1.08 0.00 0.00 178.15 176.60 2ctf h ILE 42 N 0.00 0.82 0.00 2.19 2.04 -1.66 -3.41 117.51 117.49 2ctf h ILE 42 Ca 0.04 -1.97 0.00 0.00 1.00 0.00 0.00 64.86 63.93 2ctf h ILE 42 Cb 0.18 1.91 0.00 0.00 -0.74 0.00 0.00 36.82 38.17 2ctf h ILE 42 CO -0.00 0.28 0.00 0.61 0.00 0.00 0.00 178.15 179.04 2ctf n GLY 43 N 1.49 2.99 0.31 5.37 0.00 -0.96 -2.99 105.19 111.41 2ctf n GLY 43 Ca -0.25 -1.52 0.01 0.00 0.00 0.00 0.00 46.02 44.25 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 -0.03 -1.15 1.61 3.64 -1.89 -0.71 116.57 118.04 2ctf h LYS 44 Ca 0.00 0.00 -0.61 0.00 -1.27 0.00 0.00 60.65 58.77 2ctf h LYS 44 Cb 0.00 0.01 -0.38 0.00 -0.41 0.00 0.00 32.23 31.45 2ctf h LYS 44 CO 0.00 -0.02 -0.23 1.17 -2.27 0.00 0.00 179.45 178.10 2ctf n LYS 45 N -5.50 3.28 -2.62 1.90 4.81 -1.26 -5.01 118.16 113.76 2ctf n LYS 45 Ca 0.10 -4.01 0.00 0.00 -0.87 0.00 0.00 58.31 53.53 2ctf n LYS 45 Cb 0.39 -2.27 0.00 0.00 0.02 0.00 0.00 35.03 33.17 2ctf n LYS 45 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2ctf n GLY 46 N -0.67 0.00 1.45 3.14 0.00 -0.27 -4.95 105.19 103.89 2ctf n GLY 46 Ca 0.48 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.50 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 1.25 0.00 -0.28 1.61 6.02 -1.16 -4.45 117.38 120.37 2ctf n GLN 47 Ca 0.00 0.00 0.15 0.00 -0.01 0.00 0.00 57.00 57.14 2ctf n GLN 47 Cb 0.36 -0.28 0.42 0.00 1.02 0.00 0.00 30.24 31.75 2ctf n GLN 47 CO 0.00 0.00 0.00 -0.91 -1.01 0.00 0.00 177.06 175.14 2ctf h ASN 48 N 0.00 0.59 0.00 1.08 2.35 -1.85 0.86 115.58 118.60 2ctf h ASN 48 Ca 0.00 0.05 -0.01 0.00 -0.55 0.00 0.00 56.30 55.80 2ctf h ASN 48 Cb 0.36 -0.06 -0.00 0.00 0.05 0.00 0.00 38.32 38.68 2ctf h ASN 48 CO 0.00 0.25 -0.11 -0.07 -1.65 0.00 0.00 177.43 175.85 2ctf h LEU 49 N 0.60 0.00 -0.90 1.61 3.38 -1.80 -3.19 115.31 115.01 2ctf h LEU 49 Ca 0.49 -0.15 0.25 0.00 0.09 0.00 0.00 57.88 58.55 2ctf h LEU 49 Cb 0.95 0.00 -0.14 0.00 0.09 0.00 0.00 40.66 41.55 2ctf h LEU 49 CO -0.23 0.63 0.26 0.00 0.09 0.00 0.00 178.44 179.19 2ctf h ALA 50 N -0.85 1.35 0.75 1.53 0.00 -1.73 -0.63 119.26 119.68 2ctf h ALA 50 Ca -0.01 0.23 -0.03 0.00 0.00 0.00 0.00 54.91 55.09 2ctf h ALA 50 Cb 0.25 0.32 0.00 0.00 0.00 0.00 0.00 17.79 18.36 2ctf h ALA 50 CO -0.01 -0.49 -0.39 -0.22 0.00 0.00 0.00 179.25 178.15 2ctf h LYS 51 N 0.21 -1.00 -0.04 0.00 3.11 -0.98 0.04 116.57 117.91 2ctf h LYS 51 Ca 0.58 0.07 0.03 0.00 -2.81 0.00 0.00 60.65 58.51 2ctf h LYS 51 Cb 1.19 0.23 -0.06 0.00 -1.00 0.00 0.00 32.23 32.58 2ctf h LYS 51 CO -0.66 -0.67 -0.50 0.82 -2.81 0.00 0.00 179.45 175.63 2ctf h ILE 52 N -1.04 0.05 -0.60 2.00 2.04 -1.15 0.13 117.51 118.93 2ctf h ILE 52 Ca -0.10 0.00 0.14 0.00 1.00 0.00 0.00 64.86 65.90 2ctf h ILE 52 Cb 0.81 0.05 -0.03 0.00 -0.74 0.00 0.00 36.82 36.90 2ctf h ILE 52 CO 0.15 0.00 0.42 0.00 0.00 0.00 0.00 178.15 178.72 2ctf h THR 53 N -0.62 0.78 0.09 -0.27 1.03 -1.19 -0.42 112.91 112.30 2ctf h THR 53 Ca 0.03 -0.07 -0.00 0.00 -0.01 0.00 0.00 66.41 66.36 2ctf h THR 53 Cb 0.70 0.57 -0.00 0.00 -1.07 0.00 0.00 68.15 68.35 2ctf h THR 53 CO -0.37 0.03 -0.05 -0.61 -0.01 0.00 0.00 175.52 174.52 2ctf h GLN 54 N 0.19 -0.12 -0.10 0.00 -0.00 0.10 -1.24 115.11 113.95 2ctf h GLN 54 Ca 0.29 0.01 -0.15 0.00 -0.00 0.00 0.00 58.65 58.80 2ctf h GLN 54 Cb 0.88 0.03 -0.01 0.00 0.00 0.00 0.00 27.48 28.38 2ctf h GLN 54 CO -0.05 -0.08 -0.57 0.37 0.00 0.00 0.00 178.83 178.50 2ctf h GLN 55 N -0.12 0.32 -2.96 1.69 5.75 -0.71 -3.36 115.11 115.72 2ctf h GLN 55 Ca -0.01 -0.20 -0.62 0.00 -0.15 0.00 0.00 58.65 57.67 2ctf h GLN 55 Cb 0.10 0.03 -0.41 0.00 1.07 0.00 0.00 27.48 28.26 2ctf h GLN 55 CO 0.01 0.80 -0.67 -1.64 -2.65 0.00 0.00 178.83 174.69 2ctf s MET 56 N -3.86 2.06 0.25 1.69 -1.94 -0.26 -4.93 119.30 112.31 2ctf s MET 56 Ca -0.05 -2.98 0.03 0.00 -1.71 0.00 0.00 55.69 50.98 2ctf s MET 56 Cb 0.12 -2.96 0.32 0.00 2.01 0.00 0.00 34.83 34.32 2ctf s MET 56 CO 0.81 -1.29 1.63 -1.00 -0.01 0.00 0.00 175.02 175.16 2ctf h PRO 57 N 5.60 0.36 -0.41 2.03 0.13 -1.40 -3.00 132.00 135.31 2ctf h PRO 57 Ca 0.14 -0.19 0.06 0.00 -0.87 0.00 0.00 66.00 65.14 2ctf h PRO 57 Cb 0.80 0.01 -0.02 0.00 0.13 0.00 0.00 31.00 31.92 2ctf h PRO 57 CO 0.63 0.75 0.28 0.87 -0.23 0.00 0.00 178.00 180.30 2ctf h LYS 58 N 0.30 0.29 -6.61 0.86 1.79 -1.92 -3.41 116.57 107.86 2ctf h LYS 58 Ca 0.02 -0.02 -0.51 0.00 -2.18 0.00 0.00 60.65 57.96 2ctf h LYS 58 Cb 0.91 -0.06 -0.03 0.00 -1.58 0.00 0.00 32.23 31.47 2ctf h LYS 58 CO 0.08 0.19 0.21 0.08 -1.08 0.00 0.00 179.45 178.93 2ctf s VAL 59 N -5.29 4.34 -0.24 0.50 1.01 -1.14 -4.55 120.40 115.03 2ctf s VAL 59 Ca -0.07 1.70 0.02 0.00 0.00 0.00 0.00 61.98 63.63 2ctf s VAL 59 Cb 0.19 -4.10 0.05 0.00 0.00 0.00 0.00 36.38 32.52 2ctf s VAL 59 CO 0.72 0.41 -0.13 -1.00 0.00 0.00 0.00 175.10 175.11 2ctf s HIS 60 N -1.29 3.16 -0.13 5.22 3.76 -0.48 -4.93 115.29 120.59 2ctf s HIS 60 Ca 0.40 -2.15 -0.26 0.00 -0.15 0.00 0.00 55.06 52.90 2ctf s HIS 60 Cb -0.22 -1.94 -0.02 0.00 1.11 0.00 0.00 32.58 31.52 2ctf s HIS 60 CO 0.26 -0.86 0.84 0.42 -0.85 0.00 0.00 174.74 174.55 2ctf s ILE 61 N 1.15 4.89 -0.03 0.60 1.01 -1.26 -2.41 121.20 125.15 2ctf s ILE 61 Ca -0.06 1.68 0.06 0.00 0.00 0.00 0.00 60.65 62.33 2ctf s ILE 61 Cb -0.18 -4.16 -0.01 0.00 0.01 0.00 0.00 42.46 38.12 2ctf s ILE 61 CO -0.07 0.07 -0.20 -0.70 0.00 0.00 0.00 174.94 174.05 2ctf s GLU 62 N 1.85 1.77 -0.09 2.79 2.12 -0.10 -5.02 118.70 122.02 2ctf s GLU 62 Ca 0.40 -0.70 0.04 0.00 0.36 0.00 0.00 54.97 55.07 2ctf s GLU 62 Cb -0.17 -1.62 -0.01 0.00 0.26 0.00 0.00 34.13 32.59 2ctf s GLU 62 CO 0.15 0.36 -0.21 -0.06 -0.54 0.00 0.00 175.26 174.97 2ctf s PHE 63 N -0.27 2.59 -0.25 5.30 0.08 -1.26 -1.30 117.98 122.87 2ctf s PHE 63 Ca 0.03 -0.73 -0.11 0.00 0.12 0.00 0.00 56.93 56.24 2ctf s PHE 63 Cb -0.10 -1.69 -0.05 0.00 -0.57 0.00 0.00 43.02 40.61 2ctf s PHE 63 CO 0.01 -0.23 0.16 0.95 -0.10 0.00 0.00 175.22 176.01 2ctf s THR 64 N 0.04 5.30 -0.24 0.64 -4.23 -1.17 -4.98 115.64 111.00 2ctf s THR 64 Ca -0.08 0.16 -0.01 0.00 -1.18 0.00 0.00 61.69 60.58 2ctf s THR 64 Cb -0.15 -3.49 0.12 0.00 1.34 0.00 0.00 72.50 70.32 2ctf s THR 64 CO 0.05 0.32 2.20 -1.84 -0.54 0.00 0.00 174.62 174.81 2ctf n GLU 65 N 4.54 1.70 0.00 3.99 0.28 -1.26 -3.70 120.64 126.18 2ctf n GLU 65 Ca -0.15 -1.27 0.00 0.00 -0.16 0.00 0.00 57.16 55.59 2ctf n GLU 65 Cb 0.52 -1.56 0.00 0.00 1.43 0.00 0.00 31.44 31.83 2ctf n GLU 65 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 2ctf n GLY 66 N 0.80 0.09 0.24 -1.84 0.00 -1.26 -4.94 105.19 98.27 2ctf n GLY 66 Ca 0.26 -0.05 0.15 0.00 0.00 0.00 0.00 46.02 46.38 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 -5.65 1.61 5.08 -1.99 -3.47 114.58 110.16 2ctf h GLU 67 Ca 0.00 0.00 -0.34 0.00 -1.00 0.00 0.00 59.36 58.02 2ctf h GLU 67 Cb 0.00 0.00 0.16 0.00 0.50 0.00 0.00 28.75 29.41 2ctf h GLU 67 CO 0.00 0.00 -0.74 -0.25 -1.00 0.00 0.00 179.01 177.02 2ctf n ASP 68 N -2.96 -2.89 -3.64 1.42 8.00 -1.24 -5.01 116.55 110.23 2ctf n ASP 68 Ca 0.02 -0.60 -0.10 0.00 0.71 0.00 0.00 54.79 54.82 2ctf n ASP 68 Cb 0.36 -5.07 -0.04 0.00 -0.02 0.00 0.00 41.12 36.36 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 -5.53 1.27 -0.17 -1.24 -2.85 -1.22 -4.12 119.74 105.87 2ctf s LYS 69 Ca 0.11 -0.73 -0.04 0.00 -1.00 0.00 0.00 55.97 54.31 2ctf s LYS 69 Cb -0.05 0.52 -0.02 0.00 -2.06 0.00 0.00 37.83 36.22 2ctf s LYS 69 CO 0.72 -0.53 -0.04 0.42 0.10 0.00 0.00 175.35 176.02 2ctf s ILE 70 N -3.83 3.70 -0.08 3.79 1.01 -0.97 -3.07 121.20 121.75 2ctf s ILE 70 Ca 0.06 -0.41 -0.03 0.00 0.00 0.00 0.00 60.65 60.26 2ctf s ILE 70 Cb -0.00 -2.64 -0.04 0.00 0.01 0.00 0.00 42.46 39.80 2ctf s ILE 70 CO -0.08 0.47 0.06 0.42 0.00 0.00 0.00 174.94 175.81 2ctf s THR 71 N 0.69 4.76 0.08 2.92 -4.23 -0.42 0.09 115.64 119.53 2ctf s THR 71 Ca -0.02 -0.12 0.09 0.00 -1.18 0.00 0.00 61.69 60.45 2ctf s THR 71 Cb -0.15 -3.05 -0.03 0.00 1.34 0.00 0.00 72.50 70.61 2ctf s THR 71 CO 0.02 0.57 -0.24 -0.76 -0.54 0.00 0.00 174.62 173.68 2ctf s LEU 72 N -1.05 2.23 -0.07 4.79 2.01 0.11 -0.93 118.68 125.77 2ctf s LEU 72 Ca 0.15 -0.63 0.00 0.00 0.01 0.00 0.00 54.13 53.66 2ctf s LEU 72 Cb -0.12 -1.11 0.02 0.00 0.01 0.00 0.00 46.19 45.00 2ctf s LEU 72 CO 0.04 0.17 -0.05 -0.70 1.01 0.00 0.00 176.35 176.83 2ctf s GLU 73 N -1.56 1.04 0.00 1.70 2.12 -1.01 -2.45 118.70 118.53 2ctf s GLU 73 Ca 0.10 -0.11 0.00 0.00 0.36 0.00 0.00 54.97 55.32 2ctf s GLU 73 Cb -0.10 -1.14 0.00 0.00 0.26 0.00 0.00 34.13 33.15 2ctf s GLU 73 CO 0.03 -0.19 0.00 0.41 -0.54 0.00 0.00 175.26 174.98 2ctf n GLY 74 N 4.61 -1.16 3.72 -1.50 0.00 -0.47 -1.39 105.19 109.00 2ctf n GLY 74 Ca -0.16 -1.42 -0.42 0.00 0.00 0.00 0.00 46.02 44.02 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 -1.92 4.35 0.36 1.61 0.04 -1.25 -0.64 135.00 137.54 2ctf s PRO 75 Ca 0.00 2.04 0.17 0.00 0.04 0.00 0.00 61.00 63.24 2ctf s PRO 75 Cb 0.00 -3.25 1.21 0.00 0.04 0.00 0.00 34.50 32.50 2ctf s PRO 75 CO 0.00 -0.38 1.58 1.15 0.04 0.00 0.00 177.00 179.39 2ctf h THR 76 N 4.19 0.00 -0.74 1.26 2.02 -1.85 1.00 112.91 118.79 2ctf h THR 76 Ca -0.43 -0.00 0.13 0.00 0.77 0.00 0.00 66.41 66.88 2ctf h THR 76 Cb 1.21 -0.00 -0.09 0.00 -1.74 0.00 0.00 68.15 67.53 2ctf h THR 76 CO 0.84 0.00 0.31 1.05 0.37 0.00 0.00 175.52 178.09 2ctf h GLU 77 N 0.00 0.47 0.14 6.66 4.11 -1.98 -0.84 114.58 123.15 2ctf h GLU 77 Ca 0.79 -0.03 -0.25 0.00 0.07 0.00 0.00 59.36 59.94 2ctf h GLU 77 Cb 2.01 -0.11 0.01 0.00 0.50 0.00 0.00 28.75 31.17 2ctf h GLU 77 CO -0.81 0.31 -1.21 -0.44 0.07 0.00 0.00 179.01 176.93 2ctf h ASP 78 N 0.48 0.46 -0.88 3.06 5.19 0.49 -3.33 116.42 121.90 2ctf h ASP 78 Ca 0.39 -0.90 0.22 0.00 -0.62 0.00 0.00 57.03 56.13 2ctf h ASP 78 Cb 0.55 -0.15 -0.13 0.00 0.18 0.00 0.00 39.33 39.78 2ctf h ASP 78 CO -0.36 1.55 0.36 0.58 -3.12 0.00 0.00 179.24 178.24 2ctf h VAL 79 N -0.27 0.44 0.00 -1.35 2.07 -0.24 1.01 116.25 117.91 2ctf h VAL 79 Ca -0.24 -0.12 -0.03 0.00 0.82 0.00 0.00 66.70 67.13 2ctf h VAL 79 Cb 1.77 0.06 -0.00 0.00 -1.52 0.00 0.00 31.29 31.59 2ctf h VAL 79 CO 0.12 0.06 -0.14 -1.28 0.02 0.00 0.00 177.57 176.35 2ctf h SER 80 N 0.35 0.00 0.00 0.57 0.87 -1.29 0.32 113.55 114.38 2ctf h SER 80 Ca 0.55 0.00 -0.07 0.00 -1.23 0.00 0.00 61.79 61.04 2ctf h SER 80 Cb 1.07 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 63.02 2ctf h SER 80 CO -0.55 0.14 -0.50 0.58 -0.53 0.00 0.00 176.83 175.96 2ctf h VAL 81 N 0.00 0.79 -0.21 2.23 2.07 0.77 -3.11 116.25 118.79 2ctf h VAL 81 Ca -0.00 -1.75 -0.00 0.00 0.82 0.00 0.00 66.70 65.77 2ctf h VAL 81 Cb 0.44 1.64 -0.01 0.00 -1.52 0.00 0.00 31.29 31.85 2ctf h VAL 81 CO 0.02 0.27 0.11 0.00 0.02 0.00 0.00 177.57 177.99 2ctf h ALA 82 N -0.56 0.27 -0.88 1.67 0.00 -0.53 -1.48 119.26 117.75 2ctf h ALA 82 Ca -0.11 -0.06 0.02 0.00 0.00 0.00 0.00 54.91 54.76 2ctf h ALA 82 Cb 0.79 -0.08 -0.05 0.00 0.00 0.00 0.00 17.79 18.45 2ctf h ALA 82 CO -0.07 -0.20 0.58 -0.56 0.00 0.00 0.00 179.25 179.01 2ctf h GLN 83 N 0.23 1.12 -0.30 0.00 3.07 -1.12 -1.89 115.11 116.20 2ctf h GLN 83 Ca 0.07 -0.07 -0.04 0.00 0.09 0.00 0.00 58.65 58.71 2ctf h GLN 83 Cb 0.07 -0.25 -0.01 0.00 0.08 0.00 0.00 27.48 27.37 2ctf h GLN 83 CO -0.01 0.74 0.03 1.49 0.09 0.00 0.00 178.83 181.17 2ctf h GLU 84 N 1.15 0.51 -0.72 0.06 4.81 -1.41 -1.92 114.58 117.06 2ctf h GLU 84 Ca 0.33 -0.15 0.03 0.00 -0.13 0.00 0.00 59.36 59.45 2ctf h GLU 84 Cb -0.07 -0.06 -0.04 0.00 0.63 0.00 0.00 28.75 29.21 2ctf h GLU 84 CO -0.09 0.63 0.45 1.96 -0.73 0.00 0.00 179.01 181.24 2ctf h GLN 85 N 0.33 0.86 -0.33 1.92 4.20 -0.83 -2.11 115.11 119.15 2ctf h GLN 85 Ca 0.09 -0.05 -0.02 0.00 0.06 0.00 0.00 58.65 58.73 2ctf h GLN 85 Cb 0.38 -0.19 -0.01 0.00 0.30 0.00 0.00 27.48 27.95 2ctf h GLN 85 CO 0.01 0.57 0.12 0.82 -0.67 0.00 0.00 178.83 179.68 2ctf h ILE 86 N 0.88 1.19 -0.69 2.54 2.04 -1.24 -2.63 117.51 119.61 2ctf h ILE 86 Ca 0.29 -0.61 0.09 0.00 1.00 0.00 0.00 64.86 65.63 2ctf h ILE 86 Cb 0.02 0.98 -0.04 0.00 -0.74 0.00 0.00 36.82 37.03 2ctf h ILE 86 CO -0.11 0.21 0.45 -0.33 0.00 0.00 0.00 178.15 178.37 2ctf h GLU 87 N 0.38 0.58 -0.23 2.37 5.08 -0.97 0.26 114.58 122.05 2ctf h GLU 87 Ca 0.11 -0.04 -0.02 0.00 -1.00 0.00 0.00 59.36 58.41 2ctf h GLU 87 Cb 0.21 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.32 2ctf h GLU 87 CO -0.01 0.39 0.05 0.78 -1.00 0.00 0.00 179.01 179.22 2ctf h GLY 88 N 0.60 0.41 2.00 -3.84 0.00 -1.03 -0.80 103.07 100.41 2ctf h GLY 88 Ca 0.31 -0.26 -0.11 0.00 0.00 0.00 0.00 47.33 47.27 2ctf h GLY 88 CO -0.10 0.24 -0.54 0.00 0.00 0.00 0.00 176.54 176.14 2ctf h MET 89 N 0.20 0.00 0.49 4.80 -0.00 -1.19 -3.14 114.93 116.09 2ctf h MET 89 Ca 0.07 0.00 -0.02 0.00 -0.00 0.00 0.00 59.70 59.75 2ctf h MET 89 Cb 0.29 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 31.89 2ctf h MET 89 CO 0.00 0.54 -0.23 0.28 -0.00 0.00 0.00 176.91 177.49 2ctf h VAL 90 N 0.00 0.05 -0.98 -0.10 2.07 -0.79 -2.67 116.25 113.84 2ctf h VAL 90 Ca -0.01 -0.53 0.30 0.00 0.82 0.00 0.00 66.70 67.29 2ctf h VAL 90 Cb 0.99 0.08 -0.15 0.00 -1.52 0.00 0.00 31.29 30.70 2ctf h VAL 90 CO 0.07 0.01 0.50 0.50 0.02 0.00 0.00 177.57 178.67 2ctf h LYS 91 N -1.16 0.29 -0.53 1.57 1.63 -1.22 0.49 116.57 117.64 2ctf h LYS 91 Ca -0.07 -0.02 -0.06 0.00 -0.85 0.00 0.00 60.65 59.66 2ctf h LYS 91 Cb 0.52 -0.07 -0.02 0.00 -0.60 0.00 0.00 32.23 32.06 2ctf h LYS 91 CO 0.11 0.19 0.11 0.22 -3.45 0.00 0.00 179.45 176.63 2ctf h ASP 92 N 0.30 0.82 -0.68 4.20 1.82 -1.57 0.15 116.42 121.46 2ctf h ASP 92 Ca 0.70 -0.25 0.11 0.00 -0.39 0.00 0.00 57.03 57.21 2ctf h ASP 92 Cb 1.56 -0.22 -0.04 0.00 0.68 0.00 0.00 39.33 41.31 2ctf h ASP 92 CO -0.62 0.85 0.45 -0.07 -1.61 0.00 0.00 179.24 178.25 2ctf h LEU 93 N 0.75 0.42 0.00 2.28 3.38 0.33 0.30 115.31 122.77 2ctf h LEU 93 Ca 0.16 0.01 -0.12 0.00 0.09 0.00 0.00 57.88 58.02 2ctf h LEU 93 Cb 0.37 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 41.03 2ctf h LEU 93 CO 0.01 0.24 -0.68 0.40 0.09 0.00 0.00 178.44 178.50 2ctf h ILE 94 N 0.46 1.31 -0.75 1.22 2.04 -1.08 -3.36 117.51 117.36 2ctf h ILE 94 Ca 0.32 -2.25 0.14 0.00 1.00 0.00 0.00 64.86 64.08 2ctf h ILE 94 Cb 0.63 2.75 -0.10 0.00 -0.74 0.00 0.00 36.82 39.36 2ctf h ILE 94 CO -0.10 0.45 0.28 0.78 0.00 0.00 0.00 178.15 179.56 2ctf h ASN 95 N -1.00 0.24 -0.24 1.72 2.35 -0.45 0.40 115.58 118.60 2ctf h ASN 95 Ca -0.19 0.11 0.07 0.00 -0.55 0.00 0.00 56.30 55.75 2ctf h ASN 95 Cb 1.16 0.10 -0.01 0.00 0.05 0.00 0.00 38.32 39.62 2ctf h ASN 95 CO -0.11 0.08 0.29 0.08 -1.65 0.00 0.00 177.43 176.12 2ctf h ARG 96 N 0.41 0.00 0.00 0.81 0.11 -1.10 -2.26 114.38 112.35 2ctf h ARG 96 Ca 0.41 0.00 -0.14 0.00 0.10 0.00 0.00 59.98 60.35 2ctf h ARG 96 Cb 0.64 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 31.70 2ctf h ARG 96 CO -0.42 0.00 -0.78 1.03 0.10 0.00 0.00 179.97 179.90 2ctf h SER 97 N 0.00 0.00 -4.38 0.08 0.87 -0.39 -3.48 113.55 106.25 2ctf h SER 97 Ca 0.12 -0.66 -0.22 0.00 -1.23 0.00 0.00 61.79 59.79 2ctf h SER 97 Cb 0.69 0.00 -0.24 0.00 -0.44 0.00 0.00 62.40 62.41 2ctf h SER 97 CO -0.00 1.29 -0.72 -0.83 -0.53 0.00 0.00 176.83 176.04 2ctf s GLY 98 N -4.60 0.17 -0.05 5.77 0.00 -0.58 -5.12 107.32 102.91 2ctf s GLY 98 Ca -0.25 -0.35 -0.30 0.00 0.00 0.00 0.00 44.72 43.83 2ctf s GLY 98 CO 0.61 -0.38 1.49 2.56 0.00 0.00 0.00 173.10 177.38 2ctf s PRO 99 N -0.79 4.23 0.23 2.90 0.04 -1.26 -4.15 135.00 136.20 2ctf s PRO 99 Ca -0.08 2.01 0.05 0.00 0.04 0.00 0.00 61.00 63.03 2ctf s PRO 99 Cb -0.05 -3.78 -0.05 0.00 0.04 0.00 0.00 34.50 30.65 2ctf s PRO 99 CO -0.00 -0.72 -0.06 -1.12 0.04 0.00 0.00 177.00 175.14 2ctf s SER 100 N 2.52 2.27 -0.20 6.66 0.01 -1.26 -5.11 113.70 118.59 2ctf s SER 100 Ca 0.66 -1.15 0.01 0.00 1.31 0.00 0.00 55.95 56.78 2ctf s SER 100 Cb -0.31 -0.08 0.03 0.00 0.21 0.00 0.00 66.02 65.87 2ctf s SER 100 CO 0.26 -0.38 -0.17 -0.44 0.41 0.00 0.00 173.24 172.91 2ctf s SER 101 N -3.34 3.47 0.00 2.44 0.01 -1.26 -5.12 113.70 109.91 2ctf s SER 101 Ca 0.26 -0.82 0.00 0.00 1.31 0.00 0.00 55.95 56.70 2ctf s SER 101 Cb 0.04 -1.50 0.00 0.00 0.21 0.00 0.00 66.02 64.76 2ctf s SER 101 CO 0.09 -0.05 0.00 0.61 0.41 0.00 0.00 173.24 174.30