#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 0.88 -3.68 1.61 3.41 -1.26 -5.05 113.62 109.53 2ctf n SER 2 Ca 0.00 0.15 -0.10 0.00 -0.26 0.00 0.00 58.87 58.66 2ctf n SER 2 Cb 0.00 -0.36 -0.11 0.00 -0.26 0.00 0.00 64.21 63.48 2ctf n SER 2 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 2ctf s SER 3 N -6.05 -0.33 0.00 4.04 0.15 -1.26 -5.12 113.70 105.13 2ctf s SER 3 Ca -0.16 0.86 0.00 0.00 0.70 0.00 0.00 55.95 57.35 2ctf s SER 3 Cb 0.06 0.91 0.00 0.00 -1.71 0.00 0.00 66.02 65.28 2ctf s SER 3 CO 0.21 -0.21 0.00 0.61 1.20 0.00 0.00 173.24 175.05 2ctf n GLY 4 N 4.72 3.79 3.55 9.45 0.00 -1.26 -4.43 105.19 121.01 2ctf n GLY 4 Ca -0.17 -1.20 -0.37 0.00 0.00 0.00 0.00 46.02 44.28 2ctf n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2ctf s SER 5 N 0.00 5.64 0.27 1.61 0.15 -1.25 -4.81 113.70 115.30 2ctf s SER 5 Ca 0.00 -0.05 0.05 0.00 0.70 0.00 0.00 55.95 56.65 2ctf s SER 5 Cb 0.00 -2.02 -0.03 0.00 -1.71 0.00 0.00 66.02 62.26 2ctf s SER 5 CO 0.00 0.00 0.40 -0.94 1.20 0.00 0.00 173.24 173.90 2ctf s SER 6 N 1.41 6.24 0.00 5.45 1.04 -1.26 -4.69 113.70 121.88 2ctf s SER 6 Ca 0.06 0.04 0.00 0.00 0.48 0.00 0.00 55.95 56.53 2ctf s SER 6 Cb -0.15 -1.73 0.00 0.00 0.10 0.00 0.00 66.02 64.24 2ctf s SER 6 CO 0.06 -0.16 0.00 0.61 0.98 0.00 0.00 173.24 174.72 2ctf n GLY 7 N -1.48 1.76 3.22 7.32 0.00 -1.26 -5.10 105.19 109.64 2ctf n GLY 7 Ca -0.07 0.27 -0.42 0.00 0.00 0.00 0.00 46.02 45.80 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 3.09 0.04 1.61 -1.05 -1.26 -5.07 118.70 116.07 2ctf s GLU 8 Ca 0.00 -2.47 -0.01 0.00 -0.15 0.00 0.00 54.97 52.35 2ctf s GLU 8 Cb 0.00 -4.10 0.01 0.00 -0.44 0.00 0.00 34.13 29.60 2ctf s GLU 8 CO 0.00 -1.24 0.04 -0.35 0.95 0.00 0.00 175.26 174.66 2ctf n PRO 9 N 3.79 -1.10 -3.89 -4.83 -0.04 -1.26 -5.10 135.00 122.57 2ctf n PRO 9 Ca 0.10 -0.06 -0.11 0.00 -0.04 0.00 0.00 63.50 63.40 2ctf n PRO 9 Cb 0.42 -0.05 -0.11 0.00 -0.04 0.00 0.00 33.50 33.72 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 -3.08 0.37 -0.05 0.54 -1.05 -1.26 -5.17 118.70 109.01 2ctf s GLU 10 Ca 0.02 -0.36 -0.29 0.00 -0.15 0.00 0.00 54.97 54.19 2ctf s GLU 10 Cb -0.00 0.15 0.06 0.00 -0.44 0.00 0.00 34.13 33.90 2ctf s GLU 10 CO 0.02 -0.08 0.64 0.21 0.95 0.00 0.00 175.26 177.00 2ctf s LYS 11 N -1.14 1.02 0.02 -4.83 2.20 -1.26 -5.18 119.74 110.56 2ctf s LYS 11 Ca -0.12 0.21 -0.28 0.00 -0.36 0.00 0.00 55.97 55.42 2ctf s LYS 11 Cb -0.07 0.48 0.10 0.00 -1.51 0.00 0.00 37.83 36.82 2ctf s LYS 11 CO 0.01 -0.31 0.83 -0.48 -0.36 0.00 0.00 175.35 175.03 2ctf s LEU 12 N -1.21 -0.41 0.00 5.43 2.34 -1.26 -5.17 118.68 118.41 2ctf s LEU 12 Ca -0.11 0.02 0.00 0.00 0.06 0.00 0.00 54.13 54.10 2ctf s LEU 12 Cb -0.01 2.14 0.00 0.00 -0.56 0.00 0.00 46.19 47.77 2ctf s LEU 12 CO 0.09 -0.68 0.00 0.61 -1.06 0.00 0.00 176.35 175.31 2ctf n GLY 13 N -0.22 -1.05 3.58 -3.48 0.00 -1.26 -5.10 105.19 97.65 2ctf n GLY 13 Ca -0.11 -2.18 -0.11 0.00 0.00 0.00 0.00 46.02 43.62 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 -0.21 0.64 -0.07 1.61 -0.44 -1.26 -5.18 119.66 114.74 2ctf s GLN 14 Ca 0.00 0.19 -0.22 0.00 -2.50 0.00 0.00 55.36 52.83 2ctf s GLN 14 Cb 0.00 0.30 0.05 0.00 -1.64 0.00 0.00 33.01 31.72 2ctf s GLN 14 CO 0.00 -0.19 0.50 0.00 0.50 0.00 0.00 175.29 176.10 2ctf s ALA 15 N -1.02 -1.28 -0.43 1.58 0.00 -1.26 -5.12 121.76 114.23 2ctf s ALA 15 Ca -0.02 0.99 0.02 0.00 0.00 0.00 0.00 51.96 52.94 2ctf s ALA 15 Cb -0.01 -0.19 0.15 0.00 0.00 0.00 0.00 23.12 23.07 2ctf s ALA 15 CO 0.02 -0.30 0.27 -0.48 0.00 0.00 0.00 175.76 175.27 2ctf s LEU 16 N -0.88 2.06 -0.08 0.00 2.34 -1.26 -5.09 118.68 115.78 2ctf s LEU 16 Ca -0.09 -2.66 -0.03 0.00 0.06 0.00 0.00 54.13 51.40 2ctf s LEU 16 Cb -0.03 -0.76 0.04 0.00 -0.56 0.00 0.00 46.19 44.88 2ctf s LEU 16 CO 0.06 -0.25 0.16 0.42 -1.06 0.00 0.00 176.35 175.68 2ctf s THR 17 N 0.39 -0.10 -0.13 5.48 -4.23 -1.26 -5.14 115.64 110.66 2ctf s THR 17 Ca 0.21 0.21 -0.05 0.00 -1.18 0.00 0.00 61.69 60.89 2ctf s THR 17 Cb -0.17 -0.27 0.06 0.00 1.34 0.00 0.00 72.50 73.46 2ctf s THR 17 CO -0.05 0.09 0.25 -1.61 -0.54 0.00 0.00 174.62 172.76 2ctf s GLU 18 N 1.44 0.14 0.63 3.99 2.02 -1.26 -5.14 118.70 120.51 2ctf s GLU 18 Ca -0.07 0.70 -0.17 0.00 0.02 0.00 0.00 54.97 55.45 2ctf s GLU 18 Cb -0.12 -0.12 -0.08 0.00 0.10 0.00 0.00 34.13 33.91 2ctf s GLU 18 CO -0.06 -0.31 0.40 1.55 0.02 0.00 0.00 175.26 176.85 2ctf n VAL 19 N 5.35 1.74 -3.77 2.63 3.14 -1.26 -5.01 118.33 121.15 2ctf n VAL 19 Ca -0.06 -0.46 -0.15 0.00 -2.96 0.00 0.00 64.34 60.71 2ctf n VAL 19 Cb 0.50 -0.59 -0.16 0.00 -1.06 0.00 0.00 33.84 32.52 2ctf n VAL 19 CO 0.00 0.00 0.00 -0.72 -6.46 0.00 0.00 176.83 169.65 2ctf s TYR 20 N -1.83 0.02 0.21 1.45 1.13 -1.26 -5.11 117.35 111.95 2ctf s TYR 20 Ca 0.65 0.15 -0.02 0.00 -1.41 0.00 0.00 57.07 56.44 2ctf s TYR 20 Cb -0.41 -0.23 0.01 0.00 -1.10 0.00 0.00 41.96 40.24 2ctf s TYR 20 CO 0.58 -0.09 0.31 0.00 -2.51 0.00 0.00 175.55 173.84 2ctf n ALA 21 N 4.17 -0.34 -1.34 9.51 0.00 -1.26 -5.06 120.51 126.18 2ctf n ALA 21 Ca -0.28 -0.90 0.03 0.00 0.00 0.00 0.00 53.44 52.30 2ctf n ALA 21 Cb 0.50 0.72 0.05 0.00 0.00 0.00 0.00 19.45 20.72 2ctf n ALA 21 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 2ctf n LYS 22 N -0.33 0.75 -1.68 0.00 0.00 -1.26 -5.07 118.16 110.58 2ctf n LYS 22 Ca -0.01 -1.53 -0.46 0.00 -0.00 0.00 0.00 58.31 56.31 2ctf n LYS 22 Cb 0.34 -0.89 -0.04 0.00 -0.00 0.00 0.00 35.03 34.43 2ctf n LYS 22 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2ctf n ALA 23 N -0.54 1.23 -1.64 0.58 0.00 -1.26 -4.88 120.51 114.00 2ctf n ALA 23 Ca 0.05 0.32 -0.34 0.00 0.00 0.00 0.00 53.44 53.48 2ctf n ALA 23 Cb 0.61 -2.49 0.06 0.00 0.00 0.00 0.00 19.45 17.62 2ctf n ALA 23 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 2ctf n ASN 24 N 5.76 7.00 -4.14 0.00 2.85 -1.26 -4.89 115.26 120.58 2ctf n ASN 24 Ca 0.20 -3.79 -0.33 0.00 -0.11 0.00 0.00 54.58 50.55 2ctf n ASN 24 Cb 0.31 -0.85 -0.15 0.00 1.24 0.00 0.00 39.78 40.33 2ctf n ASN 24 CO 0.00 0.00 0.00 -0.55 -2.11 0.00 0.00 177.26 174.60 2ctf s SER 25 N -2.11 3.64 0.27 1.20 0.15 -1.26 -5.09 113.70 110.50 2ctf s SER 25 Ca 0.59 -0.80 -0.18 0.00 0.70 0.00 0.00 55.95 56.25 2ctf s SER 25 Cb 0.47 -1.54 -0.13 0.00 -1.71 0.00 0.00 66.02 63.12 2ctf s SER 25 CO -0.09 -0.06 0.18 0.33 1.20 0.00 0.00 173.24 174.80 2ctf n PHE 26 N 4.61 -1.25 -4.33 3.44 7.35 -1.26 -4.73 117.46 121.29 2ctf n PHE 26 Ca -0.19 0.58 -0.20 0.00 -0.76 0.00 0.00 57.45 56.88 2ctf n PHE 26 Cb 0.48 -1.44 -0.16 0.00 0.35 0.00 0.00 39.48 38.71 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 -1.15 0.71 -0.20 -2.13 2.01 0.26 -4.95 115.64 110.19 2ctf s THR 27 Ca 0.48 -0.29 0.00 0.00 0.31 0.00 0.00 61.69 62.19 2ctf s THR 27 Cb -0.58 -0.65 0.05 0.00 0.01 0.00 0.00 72.50 71.33 2ctf s THR 27 CO 0.48 0.24 -0.08 -0.69 -0.69 0.00 0.00 174.62 173.88 2ctf s VAL 28 N 0.38 1.46 0.08 3.82 1.01 -1.26 -0.98 120.40 124.91 2ctf s VAL 28 Ca -0.06 -0.96 0.07 0.00 0.00 0.00 0.00 61.98 61.03 2ctf s VAL 28 Cb -0.10 -1.62 -0.03 0.00 0.00 0.00 0.00 36.38 34.63 2ctf s VAL 28 CO 0.01 0.09 -0.17 -0.94 0.00 0.00 0.00 175.10 174.08 2ctf s SER 29 N 1.46 2.09 0.18 3.32 1.04 -0.98 -4.95 113.70 115.87 2ctf s SER 29 Ca -0.02 -0.62 0.08 0.00 0.48 0.00 0.00 55.95 55.87 2ctf s SER 29 Cb -0.17 -0.10 -0.04 0.00 0.10 0.00 0.00 66.02 65.81 2ctf s SER 29 CO -0.08 0.01 -0.04 -0.94 0.98 0.00 0.00 173.24 173.18 2ctf s SER 30 N -1.70 4.54 -0.12 7.02 1.04 -1.26 0.07 113.70 123.28 2ctf s SER 30 Ca 0.03 -0.49 0.03 0.00 0.48 0.00 0.00 55.95 55.99 2ctf s SER 30 Cb -0.10 -0.88 0.01 0.00 0.10 0.00 0.00 66.02 65.15 2ctf s SER 30 CO 0.03 0.09 -0.20 -0.69 0.98 0.00 0.00 173.24 173.44 2ctf s VAL 31 N -1.77 1.89 -0.59 5.02 1.01 0.97 -4.96 120.40 121.98 2ctf s VAL 31 Ca 0.27 -0.89 -0.26 0.00 0.00 0.00 0.00 61.98 61.10 2ctf s VAL 31 Cb -0.09 -1.68 -0.06 0.00 0.00 0.00 0.00 36.38 34.55 2ctf s VAL 31 CO 0.17 0.52 2.20 0.00 0.00 0.00 0.00 175.10 177.99 2ctf s ALA 32 N 0.77 1.71 0.01 5.51 0.00 -1.26 -1.94 121.76 126.56 2ctf s ALA 32 Ca -0.09 -0.39 0.02 0.00 0.00 0.00 0.00 51.96 51.50 2ctf s ALA 32 Cb -0.16 -4.37 -0.01 0.00 0.00 0.00 0.00 23.12 18.58 2ctf s ALA 32 CO 0.00 -4.45 -0.06 0.00 0.00 0.00 0.00 175.76 171.25 2ctf s ALA 33 N 11.31 0.43 1.12 0.00 0.00 -1.25 -5.00 121.76 128.38 2ctf s ALA 33 Ca 0.85 -0.38 -0.16 0.00 0.00 0.00 0.00 51.96 52.27 2ctf s ALA 33 Cb -0.14 -0.05 0.25 0.00 0.00 0.00 0.00 23.12 23.17 2ctf s ALA 33 CO 0.21 0.05 1.10 -1.25 0.00 0.00 0.00 175.76 175.87 2ctf s PRO 34 N -0.57 -0.58 -0.00 0.00 0.04 -1.26 -3.21 135.00 129.42 2ctf s PRO 34 Ca -0.02 0.17 0.00 0.00 0.04 0.00 0.00 61.00 61.19 2ctf s PRO 34 Cb -0.04 -1.65 -0.01 0.00 0.04 0.00 0.00 34.50 32.84 2ctf s PRO 34 CO -0.00 -3.33 0.01 -1.13 0.04 0.00 0.00 177.00 172.59 2ctf n SER 35 N -4.53 4.91 0.27 6.66 3.41 -1.26 -4.61 113.62 118.46 2ctf n SER 35 Ca 0.10 0.00 0.18 0.00 -0.26 0.00 0.00 58.87 58.89 2ctf n SER 35 Cb 0.59 0.98 0.94 0.00 -0.26 0.00 0.00 64.21 66.45 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 -0.29 7.33 5.08 -2.00 0.04 115.95 126.10 2ctf h TRP 36 Ca -0.00 0.00 -0.05 0.00 1.08 0.00 0.00 58.89 59.92 2ctf h TRP 36 Cb 0.10 0.00 -0.03 0.00 -3.00 0.00 0.00 29.16 26.23 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 -2.76 3.99 -0.23 0.11 -0.00 -1.26 -4.65 117.00 112.20 2ctf n LEU 37 Ca -0.02 -3.17 -0.06 0.00 -0.00 0.00 0.00 56.01 52.76 2ctf n LEU 37 Cb 0.08 -0.57 0.04 0.00 -0.00 0.00 0.00 43.42 42.97 2ctf n LEU 37 CO 0.17 0.79 1.09 0.45 -0.00 0.00 0.00 177.39 179.89 2ctf h HIS 38 N 1.62 0.87 0.00 1.47 3.86 -1.25 0.30 115.15 122.03 2ctf h HIS 38 Ca 0.06 -0.01 0.00 0.00 -1.16 0.00 0.00 60.37 59.25 2ctf h HIS 38 Cb 1.52 -0.28 0.00 0.00 1.06 0.00 0.00 27.41 29.71 2ctf h HIS 38 CO 0.62 0.61 0.01 0.07 0.86 0.00 0.00 177.93 180.10 2ctf h ARG 39 N 0.88 0.00 0.00 2.45 0.11 -1.82 0.92 114.38 116.92 2ctf h ARG 39 Ca 0.23 0.00 -0.32 0.00 0.10 0.00 0.00 59.98 59.99 2ctf h ARG 39 Cb 0.02 0.00 -0.06 0.00 1.11 0.00 0.00 29.97 31.04 2ctf h ARG 39 CO -0.04 0.00 -2.22 1.19 0.10 0.00 0.00 179.97 179.00 2ctf n PHE 40 N -2.58 0.00 -0.02 4.08 3.72 -0.47 -3.69 117.46 118.50 2ctf n PHE 40 Ca -0.02 0.00 -0.08 0.00 -0.05 0.00 0.00 57.45 57.30 2ctf n PHE 40 Cb 0.05 -0.84 0.09 0.00 -0.94 0.00 0.00 39.48 37.84 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 0.00 1.30 0.04 4.37 2.10 0.21 -3.29 117.51 122.23 2ctf h ILE 41 Ca -0.48 -1.56 -0.00 0.00 1.08 0.00 0.00 64.86 63.90 2ctf h ILE 41 Cb 1.86 1.52 0.00 0.00 -1.09 0.00 0.00 36.82 39.11 2ctf h ILE 41 CO -0.04 0.50 -0.02 0.40 -1.08 0.00 0.00 178.15 177.91 2ctf h ILE 42 N 0.50 1.21 0.00 2.19 2.04 -1.07 -3.40 117.51 118.99 2ctf h ILE 42 Ca 0.04 -1.71 0.00 0.00 1.00 0.00 0.00 64.86 64.20 2ctf h ILE 42 Cb 0.91 2.20 0.00 0.00 -0.74 0.00 0.00 36.82 39.18 2ctf h ILE 42 CO 0.08 0.38 0.00 0.61 0.00 0.00 0.00 178.15 179.22 2ctf n GLY 43 N 1.28 3.04 0.38 5.37 0.00 -1.24 -3.49 105.19 110.53 2ctf n GLY 43 Ca -0.07 -1.67 -0.13 0.00 0.00 0.00 0.00 46.02 44.14 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 -0.56 -1.18 1.61 1.63 -1.91 -3.00 116.57 113.17 2ctf h LYS 44 Ca 0.00 0.04 -0.61 0.00 -0.85 0.00 0.00 60.65 59.23 2ctf h LYS 44 Cb 0.00 0.13 -0.38 0.00 -0.60 0.00 0.00 32.23 31.37 2ctf h LYS 44 CO 0.00 -0.37 -0.26 1.17 -3.45 0.00 0.00 179.45 176.53 2ctf n LYS 45 N -5.44 3.29 -3.42 1.90 4.81 -1.26 -4.97 118.16 113.07 2ctf n LYS 45 Ca -0.06 -4.04 -0.21 0.00 -0.87 0.00 0.00 58.31 53.13 2ctf n LYS 45 Cb 0.36 -2.27 0.01 0.00 0.02 0.00 0.00 35.03 33.15 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 -0.66 -0.89 0.82 3.14 0.00 -1.13 -4.96 105.19 101.51 2ctf n GLY 46 Ca 0.47 0.84 -0.05 0.00 0.00 0.00 0.00 46.02 47.28 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 -1.41 0.13 -0.30 1.61 -0.06 -1.24 -4.00 117.38 112.11 2ctf n GLN 47 Ca -0.12 0.05 0.05 0.00 -2.00 0.00 0.00 57.00 54.99 2ctf n GLN 47 Cb 0.62 -0.71 0.20 0.00 -4.06 0.00 0.00 30.24 26.29 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 -0.22 0.61 0.02 1.69 2.35 -1.84 -0.73 115.58 117.46 2ctf h ASN 48 Ca -0.10 0.07 -0.06 0.00 -0.55 0.00 0.00 56.30 55.66 2ctf h ASN 48 Cb 0.83 -0.04 0.00 0.00 0.05 0.00 0.00 38.32 39.16 2ctf h ASN 48 CO -0.06 0.30 -0.27 -0.07 -1.65 0.00 0.00 177.43 175.68 2ctf h LEU 49 N 0.71 0.08 -1.80 1.61 3.38 -1.77 -3.20 115.31 114.33 2ctf h LEU 49 Ca 0.44 -0.95 0.20 0.00 0.09 0.00 0.00 57.88 57.66 2ctf h LEU 49 Cb 0.53 -0.03 -0.03 0.00 0.09 0.00 0.00 40.66 41.23 2ctf h LEU 49 CO -0.31 1.12 0.67 0.00 0.09 0.00 0.00 178.44 180.01 2ctf h ALA 50 N -0.03 2.47 0.12 1.53 0.00 -1.63 -1.20 119.26 120.52 2ctf h ALA 50 Ca -0.06 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 2ctf h ALA 50 Cb 1.14 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.99 2ctf h ALA 50 CO 0.01 -1.02 -0.06 -0.22 0.00 0.00 0.00 179.25 177.95 2ctf h LYS 51 N 0.00 -0.16 -0.10 0.00 3.11 -1.21 -3.02 116.57 115.19 2ctf h LYS 51 Ca 0.32 0.01 0.04 0.00 -2.81 0.00 0.00 60.65 58.21 2ctf h LYS 51 Cb 1.66 0.04 -0.06 0.00 -1.00 0.00 0.00 32.23 32.87 2ctf h LYS 51 CO -0.00 -0.06 -0.46 0.82 -2.81 0.00 0.00 179.45 176.94 2ctf h ILE 52 N -1.04 0.10 -1.00 2.00 2.04 -1.30 -0.28 117.51 118.03 2ctf h ILE 52 Ca -0.02 0.00 0.22 0.00 1.00 0.00 0.00 64.86 66.06 2ctf h ILE 52 Cb 0.17 0.10 -0.10 0.00 -0.74 0.00 0.00 36.82 36.25 2ctf h ILE 52 CO 0.03 0.00 0.62 0.00 0.00 0.00 0.00 178.15 178.80 2ctf h THR 53 N -0.55 0.64 0.06 -0.27 1.03 -1.43 0.27 112.91 112.66 2ctf h THR 53 Ca 0.06 -0.21 -0.00 0.00 -0.01 0.00 0.00 66.41 66.24 2ctf h THR 53 Cb 0.66 -0.03 0.00 0.00 -1.07 0.00 0.00 68.15 67.71 2ctf h THR 53 CO -0.39 0.11 -0.03 -0.61 -0.01 0.00 0.00 175.52 174.59 2ctf h GLN 54 N 0.62 -0.08 -0.19 0.00 5.75 -0.97 -0.73 115.11 119.50 2ctf h GLN 54 Ca 0.58 0.01 -0.07 0.00 -0.15 0.00 0.00 58.65 59.01 2ctf h GLN 54 Cb 1.10 0.02 -0.01 0.00 1.07 0.00 0.00 27.48 29.66 2ctf h GLN 54 CO -0.35 0.11 -0.19 0.37 -2.65 0.00 0.00 178.83 176.12 2ctf h GLN 55 N -0.26 0.33 -2.69 1.69 -0.00 0.17 -3.35 115.11 111.01 2ctf h GLN 55 Ca -0.01 -0.10 -0.60 0.00 -0.00 0.00 0.00 58.65 57.94 2ctf h GLN 55 Cb 0.23 -0.03 -0.40 0.00 0.00 0.00 0.00 27.48 27.28 2ctf h GLN 55 CO 0.01 0.51 -0.81 -1.64 0.00 0.00 0.00 178.83 176.91 2ctf s MET 56 N -4.61 1.43 0.26 1.69 -1.94 0.80 -4.95 119.30 111.98 2ctf s MET 56 Ca -0.06 -2.45 0.04 0.00 -1.71 0.00 0.00 55.69 51.51 2ctf s MET 56 Cb 0.15 -2.17 0.34 0.00 2.01 0.00 0.00 34.83 35.16 2ctf s MET 56 CO 0.76 -1.32 1.64 -1.00 -0.01 0.00 0.00 175.02 175.09 2ctf h PRO 57 N 5.77 0.34 -0.17 2.03 0.13 -1.28 -2.99 132.00 135.84 2ctf h PRO 57 Ca 0.18 -0.18 0.00 0.00 -0.87 0.00 0.00 66.00 65.14 2ctf h PRO 57 Cb 0.87 0.01 -0.01 0.00 0.13 0.00 0.00 31.00 31.99 2ctf h PRO 57 CO 0.49 0.72 0.12 0.87 -0.23 0.00 0.00 178.00 179.97 2ctf h LYS 58 N 0.28 0.22 -5.93 0.86 1.79 -1.93 -3.40 116.57 108.46 2ctf h LYS 58 Ca 0.02 -0.01 -0.57 0.00 -2.18 0.00 0.00 60.65 57.91 2ctf h LYS 58 Cb 0.90 -0.05 -0.06 0.00 -1.58 0.00 0.00 32.23 31.44 2ctf h LYS 58 CO 0.07 0.15 0.00 0.08 -1.08 0.00 0.00 179.45 178.67 2ctf s VAL 59 N -5.25 5.10 -0.20 0.50 1.01 -1.13 -4.42 120.40 116.01 2ctf s VAL 59 Ca -0.06 1.26 -0.08 0.00 0.00 0.00 0.00 61.98 63.09 2ctf s VAL 59 Cb 0.17 -3.96 -0.04 0.00 0.00 0.00 0.00 36.38 32.56 2ctf s VAL 59 CO 0.70 0.28 0.08 -1.00 0.00 0.00 0.00 175.10 175.16 2ctf s HIS 60 N 0.71 3.24 -0.13 5.22 3.76 0.74 -4.88 115.29 123.94 2ctf s HIS 60 Ca 0.33 0.04 -0.11 0.00 -0.15 0.00 0.00 55.06 55.17 2ctf s HIS 60 Cb -0.17 -2.14 -0.05 0.00 1.11 0.00 0.00 32.58 31.34 2ctf s HIS 60 CO 0.15 0.07 0.23 0.42 -0.85 0.00 0.00 174.74 174.76 2ctf s ILE 61 N 0.68 5.34 0.02 0.60 1.01 -1.26 -2.08 121.20 125.51 2ctf s ILE 61 Ca 0.04 0.42 0.04 0.00 0.00 0.00 0.00 60.65 61.16 2ctf s ILE 61 Cb -0.13 -3.54 -0.02 0.00 0.01 0.00 0.00 42.46 38.78 2ctf s ILE 61 CO 0.02 0.50 -0.12 -0.70 0.00 0.00 0.00 174.94 174.63 2ctf s GLU 62 N -0.22 0.84 -0.13 2.79 2.56 -0.45 -5.01 118.70 119.08 2ctf s GLU 62 Ca 0.15 -0.62 -0.00 0.00 0.00 0.00 0.00 54.97 54.50 2ctf s GLU 62 Cb -0.13 -0.81 0.03 0.00 2.00 0.00 0.00 34.13 35.22 2ctf s GLU 62 CO 0.04 0.20 -0.07 -0.06 -0.56 0.00 0.00 175.26 174.81 2ctf s PHE 63 N -0.70 1.55 0.45 5.30 0.08 -1.26 -2.32 117.98 121.08 2ctf s PHE 63 Ca 0.01 -0.82 -0.17 0.00 0.12 0.00 0.00 56.93 56.07 2ctf s PHE 63 Cb -0.07 -1.26 -0.09 0.00 -0.57 0.00 0.00 43.02 41.03 2ctf s PHE 63 CO 0.01 -0.54 0.91 0.95 -0.10 0.00 0.00 175.22 176.45 2ctf s THR 64 N 1.69 4.55 -0.28 0.64 -4.23 -1.16 -4.98 115.64 111.86 2ctf s THR 64 Ca 0.04 1.17 0.11 0.00 -1.18 0.00 0.00 61.69 61.84 2ctf s THR 64 Cb -0.13 -3.67 0.61 0.00 1.34 0.00 0.00 72.50 70.64 2ctf s THR 64 CO -0.08 -0.50 1.61 -1.84 -0.54 0.00 0.00 174.62 173.27 2ctf n GLU 65 N -1.13 2.83 0.00 3.99 0.00 -1.26 -4.44 120.64 120.63 2ctf n GLU 65 Ca 0.06 -3.04 0.00 0.00 0.00 0.00 0.00 57.16 54.18 2ctf n GLU 65 Cb 0.54 -1.99 0.00 0.00 0.00 0.00 0.00 31.44 29.99 2ctf n GLU 65 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 2ctf n GLY 66 N -0.62 0.06 0.02 -1.84 0.00 -1.26 -4.92 105.19 96.63 2ctf n GLY 66 Ca 0.35 -0.03 0.13 0.00 0.00 0.00 0.00 46.02 46.46 2ctf n GLY 66 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2ctf n GLU 67 N -0.56 0.05 -3.90 1.61 -0.58 -1.26 -4.93 120.64 111.08 2ctf n GLU 67 Ca 0.00 0.08 -0.29 0.00 -0.42 0.00 0.00 57.16 56.53 2ctf n GLU 67 Cb 0.00 -1.57 -0.00 0.00 -0.57 0.00 0.00 31.44 29.30 2ctf n GLU 67 CO 0.00 0.00 0.00 -0.40 -0.48 0.00 0.00 177.13 176.25 2ctf n ASP 68 N -1.66 -1.90 -3.67 1.62 5.75 -1.26 -4.96 116.55 110.47 2ctf n ASP 68 Ca 0.06 -1.04 -0.10 0.00 -0.01 0.00 0.00 54.79 53.70 2ctf n ASP 68 Cb 0.34 -3.00 -0.05 0.00 -1.03 0.00 0.00 41.12 37.38 2ctf n ASP 68 CO 0.00 0.00 0.00 -1.59 -0.11 0.00 0.00 177.20 175.50 2ctf s LYS 69 N -6.48 1.12 -0.24 0.11 -2.85 -1.20 -3.93 119.74 106.27 2ctf s LYS 69 Ca 0.17 -0.76 -0.03 0.00 -1.00 0.00 0.00 55.97 54.35 2ctf s LYS 69 Cb -0.07 0.47 0.01 0.00 -2.06 0.00 0.00 37.83 36.19 2ctf s LYS 69 CO 0.89 -0.45 -0.04 0.42 0.10 0.00 0.00 175.35 176.27 2ctf s ILE 70 N -3.82 3.13 -0.14 3.79 1.01 -0.82 -2.97 121.20 121.39 2ctf s ILE 70 Ca 0.05 -0.81 -0.16 0.00 0.00 0.00 0.00 60.65 59.72 2ctf s ILE 70 Cb 0.01 -2.53 -0.04 0.00 0.01 0.00 0.00 42.46 39.91 2ctf s ILE 70 CO -0.10 0.27 0.39 -0.89 0.00 0.00 0.00 174.94 174.61 2ctf s THR 71 N 1.39 5.24 0.12 2.92 2.01 -0.98 -0.02 115.64 126.32 2ctf s THR 71 Ca 0.02 0.76 0.08 0.00 0.31 0.00 0.00 61.69 62.87 2ctf s THR 71 Cb -0.16 -3.73 -0.04 0.00 0.01 0.00 0.00 72.50 68.58 2ctf s THR 71 CO -0.04 0.36 -0.12 -0.76 -0.69 0.00 0.00 174.62 173.38 2ctf s LEU 72 N 0.52 2.96 -0.03 4.42 2.01 0.11 -1.34 118.68 127.33 2ctf s LEU 72 Ca 0.22 -0.45 -0.01 0.00 0.01 0.00 0.00 54.13 53.90 2ctf s LEU 72 Cb -0.14 -1.75 0.03 0.00 0.01 0.00 0.00 46.19 44.34 2ctf s LEU 72 CO 0.07 0.17 0.05 -1.61 1.01 0.00 0.00 176.35 176.04 2ctf s GLU 73 N -2.26 -0.01 0.00 1.70 2.02 -0.89 -2.31 118.70 116.95 2ctf s GLU 73 Ca 0.21 0.21 0.00 0.00 0.02 0.00 0.00 54.97 55.41 2ctf s GLU 73 Cb -0.11 -0.22 0.00 0.00 0.10 0.00 0.00 34.13 33.90 2ctf s GLU 73 CO 0.13 -0.16 0.00 0.41 0.02 0.00 0.00 175.26 175.66 2ctf n GLY 74 N 4.12 -0.09 3.70 -1.39 0.00 -0.16 -0.19 105.19 111.19 2ctf n GLY 74 Ca -0.27 -1.59 -0.42 0.00 0.00 0.00 0.00 46.02 43.74 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 4.30 0.42 1.61 0.04 -1.26 -0.57 135.00 137.54 2ctf s PRO 75 Ca 0.00 2.03 0.29 0.00 0.04 0.00 0.00 61.00 63.36 2ctf s PRO 75 Cb 0.00 -3.42 1.45 0.00 0.04 0.00 0.00 34.50 32.58 2ctf s PRO 75 CO 0.00 -0.51 1.58 0.00 0.04 0.00 0.00 177.00 178.11 2ctf h THR 76 N 4.59 0.00 0.24 1.26 1.03 -1.85 0.30 112.91 118.49 2ctf h THR 76 Ca -0.40 -0.00 0.01 0.00 -0.01 0.00 0.00 66.41 66.00 2ctf h THR 76 Cb 1.20 0.00 -0.04 0.00 -1.07 0.00 0.00 68.15 68.24 2ctf h THR 76 CO 0.88 0.00 -0.44 -0.08 -0.01 0.00 0.00 175.52 175.87 2ctf h GLU 77 N 0.00 -0.73 -0.02 0.00 4.81 -1.94 0.71 114.58 117.41 2ctf h GLU 77 Ca 0.88 0.05 -0.03 0.00 -0.13 0.00 0.00 59.36 60.12 2ctf h GLU 77 Cb 2.66 0.17 0.00 0.00 0.63 0.00 0.00 28.75 32.21 2ctf h GLU 77 CO -0.57 -0.49 -0.11 -0.44 -0.73 0.00 0.00 179.01 176.68 2ctf h ASP 78 N -0.76 0.13 -1.09 1.04 5.19 -0.95 -3.22 116.42 116.77 2ctf h ASP 78 Ca -0.01 -0.67 0.30 0.00 -0.62 0.00 0.00 57.03 56.03 2ctf h ASP 78 Cb 0.73 -0.04 -0.10 0.00 0.18 0.00 0.00 39.33 40.10 2ctf h ASP 78 CO -0.18 0.78 0.70 0.58 -3.12 0.00 0.00 179.24 178.00 2ctf h VAL 79 N -0.51 0.44 -0.23 -1.35 2.07 -0.63 0.69 116.25 116.73 2ctf h VAL 79 Ca -0.01 -0.11 -0.10 0.00 0.82 0.00 0.00 66.70 67.30 2ctf h VAL 79 Cb 0.78 0.09 -0.01 0.00 -1.52 0.00 0.00 31.29 30.63 2ctf h VAL 79 CO 0.02 0.06 -0.29 0.28 0.02 0.00 0.00 177.57 177.66 2ctf h SER 80 N 0.32 0.46 0.04 0.57 0.02 -0.86 -0.68 113.55 113.43 2ctf h SER 80 Ca 0.64 -0.16 -0.00 0.00 -0.84 0.00 0.00 61.79 61.42 2ctf h SER 80 Cb 1.72 -0.13 0.00 0.00 0.14 0.00 0.00 62.40 64.14 2ctf h SER 80 CO -0.32 0.73 -0.02 0.58 -1.14 0.00 0.00 176.83 176.67 2ctf h VAL 81 N 0.40 0.98 -0.22 2.27 2.07 0.24 -2.80 116.25 119.18 2ctf h VAL 81 Ca 0.05 -1.60 0.04 0.00 0.82 0.00 0.00 66.70 66.01 2ctf h VAL 81 Cb 0.71 1.81 -0.04 0.00 -1.52 0.00 0.00 31.29 32.25 2ctf h VAL 81 CO 0.05 0.32 -0.00 0.00 0.02 0.00 0.00 177.57 177.96 2ctf h ALA 82 N -0.39 0.19 -0.86 1.67 0.00 -0.90 0.12 119.26 119.09 2ctf h ALA 82 Ca -0.01 0.06 0.04 0.00 0.00 0.00 0.00 54.91 55.01 2ctf h ALA 82 Cb 0.56 0.11 -0.05 0.00 0.00 0.00 0.00 17.79 18.40 2ctf h ALA 82 CO 0.01 -0.43 0.55 -0.56 0.00 0.00 0.00 179.25 178.82 2ctf h GLN 83 N 0.06 1.02 -0.41 0.00 3.07 -1.26 -2.06 115.11 115.53 2ctf h GLN 83 Ca 0.10 -0.06 -0.08 0.00 0.09 0.00 0.00 58.65 58.71 2ctf h GLN 83 Cb 0.13 -0.23 -0.01 0.00 0.08 0.00 0.00 27.48 27.45 2ctf h GLN 83 CO -0.18 0.68 -0.04 1.49 0.09 0.00 0.00 178.83 180.86 2ctf h GLU 84 N 1.05 0.75 -0.96 0.06 4.81 -1.12 -1.89 114.58 117.28 2ctf h GLU 84 Ca 0.35 -0.26 0.08 0.00 -0.13 0.00 0.00 59.36 59.40 2ctf h GLU 84 Cb 0.05 -0.06 -0.07 0.00 0.63 0.00 0.00 28.75 29.30 2ctf h GLU 84 CO -0.13 0.85 0.61 1.96 -0.73 0.00 0.00 179.01 181.57 2ctf h GLN 85 N 0.57 1.03 -0.11 1.92 4.20 -0.27 -1.53 115.11 120.92 2ctf h GLN 85 Ca 0.11 -0.06 -0.17 0.00 0.06 0.00 0.00 58.65 58.59 2ctf h GLN 85 Cb 0.54 -0.23 -0.01 0.00 0.30 0.00 0.00 27.48 28.08 2ctf h GLN 85 CO 0.03 0.68 -0.64 0.82 -0.67 0.00 0.00 178.83 179.05 2ctf h ILE 86 N 1.06 1.36 -0.27 2.54 2.04 -1.24 -3.02 117.51 119.98 2ctf h ILE 86 Ca 0.43 -1.99 0.08 0.00 1.00 0.00 0.00 64.86 64.38 2ctf h ILE 86 Cb 0.26 1.98 -0.01 0.00 -0.74 0.00 0.00 36.82 38.30 2ctf h ILE 86 CO -0.20 0.60 0.20 -0.33 0.00 0.00 0.00 178.15 178.42 2ctf h GLU 87 N 0.30 0.00 0.08 2.37 4.39 -0.44 0.01 114.58 121.29 2ctf h GLU 87 Ca -0.01 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.68 2ctf h GLU 87 Cb 1.19 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.84 2ctf h GLU 87 CO 0.11 0.00 -0.04 0.78 -1.16 0.00 0.00 179.01 178.70 2ctf h GLY 88 N 0.00 -0.11 2.00 -3.84 0.00 -1.37 -3.06 103.07 96.69 2ctf h GLY 88 Ca 0.13 0.04 -0.00 0.00 0.00 0.00 0.00 47.33 47.50 2ctf h GLY 88 CO -0.00 -0.04 -0.00 0.00 0.00 0.00 0.00 176.54 176.49 2ctf h MET 89 N -0.95 0.00 0.17 4.80 -0.00 -1.47 -1.47 114.93 116.01 2ctf h MET 89 Ca -0.01 0.00 -0.01 0.00 -0.00 0.00 0.00 59.70 59.68 2ctf h MET 89 Cb 0.51 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.11 2ctf h MET 89 CO 0.02 0.00 -0.08 0.28 -0.00 0.00 0.00 176.91 177.13 2ctf h VAL 90 N 0.00 0.94 -0.53 -0.10 2.07 -1.08 -0.61 116.25 116.95 2ctf h VAL 90 Ca -0.00 -0.56 -0.04 0.00 0.82 0.00 0.00 66.70 66.92 2ctf h VAL 90 Cb 0.01 1.28 -0.02 0.00 -1.52 0.00 0.00 31.29 31.03 2ctf h VAL 90 CO 0.00 0.13 0.18 0.50 0.02 0.00 0.00 177.57 178.40 2ctf h LYS 91 N -0.51 0.81 -0.70 1.57 1.63 -1.36 -2.18 116.57 115.84 2ctf h LYS 91 Ca -0.02 -0.16 -0.00 0.00 -0.85 0.00 0.00 60.65 59.61 2ctf h LYS 91 Cb 0.39 -0.12 -0.03 0.00 -0.60 0.00 0.00 32.23 31.86 2ctf h LYS 91 CO 0.04 0.73 0.43 0.22 -3.45 0.00 0.00 179.45 177.42 2ctf h ASP 92 N 0.72 0.82 -0.80 4.20 3.58 -1.27 -0.16 116.42 123.51 2ctf h ASP 92 Ca 0.17 -0.05 -0.03 0.00 0.42 0.00 0.00 57.03 57.55 2ctf h ASP 92 Cb 0.25 -0.21 -0.04 0.00 1.72 0.00 0.00 39.33 41.05 2ctf h ASP 92 CO -0.01 0.63 0.40 -0.07 -2.88 0.00 0.00 179.24 177.31 2ctf h LEU 93 N 0.95 1.04 -0.07 2.28 3.38 -0.90 -2.38 115.31 119.62 2ctf h LEU 93 Ca 0.25 -0.13 -0.02 0.00 0.09 0.00 0.00 57.88 58.08 2ctf h LEU 93 Cb -0.05 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 40.43 2ctf h LEU 93 CO -0.05 0.87 -0.02 0.40 0.09 0.00 0.00 178.44 179.73 2ctf h ILE 94 N 1.13 1.30 -0.66 1.22 2.04 -0.97 -2.97 117.51 118.61 2ctf h ILE 94 Ca 0.28 -0.97 0.17 0.00 1.00 0.00 0.00 64.86 65.34 2ctf h ILE 94 Cb 0.10 1.82 -0.03 0.00 -0.74 0.00 0.00 36.82 37.96 2ctf h ILE 94 CO -0.04 0.27 0.46 0.78 0.00 0.00 0.00 178.15 179.62 2ctf h ASN 95 N -0.22 0.12 -1.29 1.72 4.21 -0.90 -0.78 115.58 118.43 2ctf h ASN 95 Ca 0.02 0.01 -0.64 0.00 1.21 0.00 0.00 56.30 56.89 2ctf h ASN 95 Cb 0.43 -0.02 -0.25 0.00 -1.12 0.00 0.00 38.32 37.37 2ctf h ASN 95 CO 0.01 0.06 0.83 -2.11 -1.29 0.00 0.00 177.43 174.92 2ctf n ARG 96 N -4.39 2.56 -1.72 0.81 1.85 -0.91 -4.53 116.66 110.33 2ctf n ARG 96 Ca 0.13 -3.03 -0.25 0.00 -1.00 0.00 0.00 57.85 53.69 2ctf n ARG 96 Cb 0.65 -2.18 0.05 0.00 -1.05 0.00 0.00 32.46 29.93 2ctf n ARG 96 CO 0.00 0.00 0.00 0.45 -0.01 0.00 0.00 177.63 178.07 2ctf n SER 97 N -0.40 5.50 -3.75 2.89 2.88 -0.30 -4.99 113.62 115.45 2ctf n SER 97 Ca 0.54 -3.77 -0.21 0.00 -1.33 0.00 0.00 58.87 54.10 2ctf n SER 97 Cb 0.49 -0.54 -0.08 0.00 -0.75 0.00 0.00 64.21 63.32 2ctf n SER 97 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 2ctf s GLY 98 N -3.02 2.32 0.00 0.46 0.00 -1.26 -3.92 107.32 101.90 2ctf s GLY 98 Ca 0.54 -1.73 0.14 0.00 0.00 0.00 0.00 44.72 43.67 2ctf s GLY 98 CO 0.02 -1.60 1.42 -1.55 0.00 0.00 0.00 173.10 171.39 2ctf n PRO 99 N -0.68 0.14 -3.11 2.90 -0.04 -1.26 -4.41 135.00 128.54 2ctf n PRO 99 Ca 0.02 0.18 -0.45 0.00 -0.04 0.00 0.00 63.50 63.21 2ctf n PRO 99 Cb 0.64 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 32.57 2ctf n PRO 99 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2ctf s SER 100 N -2.71 6.56 0.04 3.54 0.15 -1.26 -4.88 113.70 115.14 2ctf s SER 100 Ca 0.12 -2.10 -0.20 0.00 0.70 0.00 0.00 55.95 54.47 2ctf s SER 100 Cb 0.10 -2.31 -0.15 0.00 -1.71 0.00 0.00 66.02 61.95 2ctf s SER 100 CO 0.23 -0.92 1.32 0.77 1.20 0.00 0.00 173.24 175.85 2ctf h SER 101 N 8.58 0.40 -0.01 5.45 4.64 -1.98 -3.48 113.55 127.15 2ctf h SER 101 Ca 0.02 -0.51 0.00 0.00 -0.47 0.00 0.00 61.79 60.84 2ctf h SER 101 Cb 1.05 -0.11 0.00 0.00 -0.31 0.00 0.00 62.40 63.02 2ctf h SER 101 CO 0.99 0.83 0.00 0.61 -0.87 0.00 0.00 176.83 178.38