#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 -0.15 -1.76 1.61 0.01 -1.26 -4.97 113.70 107.19 2ctf s SER 2 Ca 0.00 -0.52 -0.17 0.00 1.31 0.00 0.00 55.95 56.56 2ctf s SER 2 Cb 0.00 0.55 0.17 0.00 0.21 0.00 0.00 66.02 66.94 2ctf s SER 2 CO 0.00 -1.03 0.54 -1.54 0.41 0.00 0.00 173.24 171.62 2ctf n SER 3 N -0.64 -1.68 -4.91 2.44 3.41 -1.26 -4.90 113.62 106.07 2ctf n SER 3 Ca -0.05 -1.18 -0.27 0.00 -0.26 0.00 0.00 58.87 57.11 2ctf n SER 3 Cb 0.60 -2.00 0.05 0.00 -0.26 0.00 0.00 64.21 62.60 2ctf n SER 3 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 2ctf s GLY 4 N -3.51 1.63 -0.08 5.00 0.00 -1.26 -5.10 107.32 103.99 2ctf s GLY 4 Ca 0.63 -0.70 -0.31 0.00 0.00 0.00 0.00 44.72 44.34 2ctf s GLY 4 CO 0.99 -0.36 0.77 -1.35 0.00 0.00 0.00 173.10 173.15 2ctf s SER 5 N -4.38 -0.57 0.31 1.64 1.04 -1.26 -5.19 113.70 105.29 2ctf s SER 5 Ca 0.57 0.62 -0.15 0.00 0.48 0.00 0.00 55.95 57.47 2ctf s SER 5 Cb -0.11 0.47 0.02 0.00 0.10 0.00 0.00 66.02 66.51 2ctf s SER 5 CO 0.46 -0.53 0.66 -0.44 0.98 0.00 0.00 173.24 174.37 2ctf s SER 6 N -1.17 0.00 0.00 7.02 0.01 -1.26 -5.15 113.70 113.15 2ctf s SER 6 Ca -0.08 -0.95 0.00 0.00 1.31 0.00 0.00 55.95 56.23 2ctf s SER 6 Cb -0.00 0.73 0.00 0.00 0.21 0.00 0.00 66.02 66.96 2ctf s SER 6 CO 0.07 -1.41 0.00 0.61 0.41 0.00 0.00 173.24 172.93 2ctf n GLY 7 N -0.48 -0.29 3.91 3.44 0.00 -1.26 -5.04 105.19 105.47 2ctf n GLY 7 Ca -0.04 0.63 -0.28 0.00 0.00 0.00 0.00 46.02 46.32 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 -0.72 -0.55 1.61 4.07 -1.26 -4.89 120.64 118.90 2ctf n GLU 8 Ca 0.00 -0.01 -0.16 0.00 -0.06 0.00 0.00 57.16 56.93 2ctf n GLU 8 Cb 0.00 -2.14 0.13 0.00 -0.06 0.00 0.00 31.44 29.37 2ctf n GLU 8 CO 0.00 0.00 0.00 -0.35 -0.06 0.00 0.00 177.13 176.72 2ctf n PRO 9 N -3.79 -2.15 -3.64 5.31 -0.04 -1.26 -5.03 135.00 124.39 2ctf n PRO 9 Ca -0.17 -0.93 -0.36 0.00 -0.04 0.00 0.00 63.50 62.00 2ctf n PRO 9 Cb 0.47 -0.87 -0.06 0.00 -0.04 0.00 0.00 33.50 33.00 2ctf n PRO 9 CO 0.00 0.00 0.00 -2.00 -0.04 0.00 0.00 175.50 173.46 2ctf s GLU 10 N -4.32 3.73 0.04 0.54 2.56 -1.26 -5.09 118.70 114.90 2ctf s GLU 10 Ca 0.38 0.16 -0.13 0.00 0.00 0.00 0.00 54.97 55.38 2ctf s GLU 10 Cb -0.04 -3.13 0.02 0.00 2.00 0.00 0.00 34.13 32.98 2ctf s GLU 10 CO 0.29 0.67 0.27 -1.59 -0.56 0.00 0.00 175.26 174.34 2ctf s LYS 11 N -1.40 0.78 0.04 4.30 0.00 -1.26 -5.18 119.74 117.02 2ctf s LYS 11 Ca 0.25 -0.55 -0.16 0.00 0.00 0.00 0.00 55.97 55.52 2ctf s LYS 11 Cb -0.14 0.33 0.03 0.00 0.00 0.00 0.00 37.83 38.05 2ctf s LYS 11 CO 0.13 -0.25 0.35 -0.48 0.00 0.00 0.00 175.35 175.11 2ctf s LEU 12 N -2.09 0.66 0.00 2.77 2.34 -1.26 -5.10 118.68 116.00 2ctf s LEU 12 Ca -0.05 -0.07 0.00 0.00 0.06 0.00 0.00 54.13 54.07 2ctf s LEU 12 Cb -0.01 1.52 0.00 0.00 -0.56 0.00 0.00 46.19 47.14 2ctf s LEU 12 CO -0.04 -0.62 0.00 0.61 -1.06 0.00 0.00 176.35 175.24 2ctf n GLY 13 N 0.62 0.09 3.20 -3.48 0.00 -1.26 -5.17 105.19 99.19 2ctf n GLY 13 Ca -0.19 0.09 -0.24 0.00 0.00 0.00 0.00 46.02 45.68 2ctf n GLY 13 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2ctf s GLN 14 N 0.00 1.32 -1.68 1.61 -1.52 -1.26 -4.77 119.66 113.36 2ctf s GLN 14 Ca 0.00 -0.81 -0.15 0.00 -1.95 0.00 0.00 55.36 52.46 2ctf s GLN 14 Cb 0.00 -1.36 0.13 0.00 -0.22 0.00 0.00 33.01 31.56 2ctf s GLN 14 CO 0.00 0.35 0.60 0.00 -0.25 0.00 0.00 175.29 175.99 2ctf n ALA 15 N 2.12 -1.45 -2.69 6.09 0.00 -1.26 -4.91 120.51 118.41 2ctf n ALA 15 Ca -0.17 -0.14 -0.37 0.00 0.00 0.00 0.00 53.44 52.77 2ctf n ALA 15 Cb 0.54 -2.66 -0.07 0.00 0.00 0.00 0.00 19.45 17.26 2ctf n ALA 15 CO 0.00 0.00 0.00 -0.48 0.00 0.00 0.00 177.50 177.02 2ctf s LEU 16 N -7.23 4.32 -0.00 0.00 0.05 -1.26 -5.08 118.68 109.47 2ctf s LEU 16 Ca 0.57 0.63 -0.08 0.00 0.05 0.00 0.00 54.13 55.30 2ctf s LEU 16 Cb -0.32 -2.41 0.00 0.00 -2.05 0.00 0.00 46.19 41.42 2ctf s LEU 16 CO 0.95 0.18 0.15 0.42 -0.55 0.00 0.00 176.35 177.51 2ctf s THR 17 N -0.06 0.08 -0.95 5.48 -4.23 -1.26 -5.09 115.64 109.60 2ctf s THR 17 Ca 0.19 -0.65 -0.24 0.00 -1.18 0.00 0.00 61.69 59.81 2ctf s THR 17 Cb -0.14 -0.44 0.00 0.00 1.34 0.00 0.00 72.50 73.27 2ctf s THR 17 CO 0.07 -0.36 1.69 -1.61 -0.54 0.00 0.00 174.62 173.87 2ctf s GLU 18 N -1.33 3.08 0.31 3.99 8.01 -1.26 -4.95 118.70 126.54 2ctf s GLU 18 Ca -0.14 -0.68 0.08 0.00 0.01 0.00 0.00 54.97 54.24 2ctf s GLU 18 Cb -0.07 -5.18 -0.04 0.00 -4.31 0.00 0.00 34.13 24.53 2ctf s GLU 18 CO 0.02 -2.77 0.11 0.14 0.01 0.00 0.00 175.26 172.77 2ctf s VAL 19 N 7.48 3.33 0.28 2.63 -7.23 -1.26 -5.15 120.40 120.48 2ctf s VAL 19 Ca 0.58 -1.71 0.02 0.00 -1.81 0.00 0.00 61.98 59.06 2ctf s VAL 19 Cb -0.04 -3.00 -0.04 0.00 0.56 0.00 0.00 36.38 33.86 2ctf s VAL 19 CO -0.05 -0.26 0.13 -0.72 -0.31 0.00 0.00 175.10 173.90 2ctf s TYR 20 N -2.36 1.53 0.03 2.82 -0.85 -1.26 -5.18 117.35 112.09 2ctf s TYR 20 Ca 0.36 -1.30 -0.09 0.00 -0.52 0.00 0.00 57.07 55.52 2ctf s TYR 20 Cb -0.04 -0.85 0.00 0.00 0.38 0.00 0.00 41.96 41.45 2ctf s TYR 20 CO 0.22 -0.46 0.18 0.00 -1.52 0.00 0.00 175.55 173.98 2ctf s ALA 21 N -3.71 -0.35 -0.24 9.51 0.00 -1.26 -5.14 121.76 120.56 2ctf s ALA 21 Ca 0.37 -0.25 -0.02 0.00 0.00 0.00 0.00 51.96 52.05 2ctf s ALA 21 Cb 0.06 0.24 0.08 0.00 0.00 0.00 0.00 23.12 23.50 2ctf s ALA 21 CO 0.15 -0.33 0.06 0.15 0.00 0.00 0.00 175.76 175.79 2ctf s LYS 22 N -2.35 0.72 -0.30 0.00 -0.14 -1.26 -5.09 119.74 111.32 2ctf s LYS 22 Ca -0.07 -0.69 -0.17 0.00 -1.36 0.00 0.00 55.97 53.68 2ctf s LYS 22 Cb -0.02 -2.04 0.18 0.00 -1.68 0.00 0.00 37.83 34.26 2ctf s LYS 22 CO -0.03 -0.78 1.10 0.00 -0.76 0.00 0.00 175.35 174.88 2ctf s ALA 23 N 1.76 -2.88 -0.91 5.17 0.00 -1.26 -5.09 121.76 118.55 2ctf s ALA 23 Ca 0.03 1.97 -0.24 0.00 0.00 0.00 0.00 51.96 53.71 2ctf s ALA 23 Cb -0.17 -2.11 -0.05 0.00 0.00 0.00 0.00 23.12 20.78 2ctf s ALA 23 CO -0.16 -0.91 1.96 1.21 0.00 0.00 0.00 175.76 177.86 2ctf s ASN 24 N 2.22 5.10 0.03 0.00 3.84 -1.26 -4.89 114.94 119.97 2ctf s ASN 24 Ca -0.02 -0.71 -0.05 0.00 0.21 0.00 0.00 52.86 52.29 2ctf s ASN 24 Cb -0.04 -2.56 -0.01 0.00 -0.55 0.00 0.00 41.25 38.09 2ctf s ASN 24 CO -0.17 -2.80 0.09 -0.44 -2.79 0.00 0.00 177.10 170.99 2ctf s SER 25 N 8.03 0.16 -0.12 -4.21 0.01 -1.26 -5.13 113.70 111.19 2ctf s SER 25 Ca 0.71 -0.47 -0.30 0.00 1.31 0.00 0.00 55.95 57.20 2ctf s SER 25 Cb -0.07 0.21 -0.02 0.00 0.21 0.00 0.00 66.02 66.36 2ctf s SER 25 CO 0.00 -0.46 1.14 0.12 0.41 0.00 0.00 173.24 174.45 2ctf s PHE 26 N -2.27 3.22 -0.19 2.43 5.36 -1.26 -4.68 117.98 120.59 2ctf s PHE 26 Ca -0.08 1.30 -0.04 0.00 -0.96 0.00 0.00 56.93 57.15 2ctf s PHE 26 Cb -0.03 -3.36 -0.02 0.00 -0.34 0.00 0.00 43.02 39.27 2ctf s PHE 26 CO -0.03 -1.01 -0.03 0.99 -1.46 0.00 0.00 175.22 173.68 2ctf s THR 27 N 2.58 3.74 -0.23 0.12 2.01 -0.80 -4.99 115.64 118.06 2ctf s THR 27 Ca 0.52 -0.39 0.01 0.00 0.31 0.00 0.00 61.69 62.14 2ctf s THR 27 Cb -0.21 -2.67 0.06 0.00 0.01 0.00 0.00 72.50 69.69 2ctf s THR 27 CO 0.17 0.45 -0.07 -0.69 -0.69 0.00 0.00 174.62 173.79 2ctf s VAL 28 N 0.85 1.66 0.24 3.82 1.01 -1.26 -1.95 120.40 124.77 2ctf s VAL 28 Ca -0.00 -1.25 0.12 0.00 0.00 0.00 0.00 61.98 60.84 2ctf s VAL 28 Cb -0.14 -1.86 -0.05 0.00 0.00 0.00 0.00 36.38 34.33 2ctf s VAL 28 CO 0.02 -0.04 -0.21 -0.55 0.00 0.00 0.00 175.10 174.31 2ctf s SER 29 N 1.35 3.46 0.19 3.32 0.15 -0.90 -4.94 113.70 116.32 2ctf s SER 29 Ca -0.06 -0.96 0.09 0.00 0.70 0.00 0.00 55.95 55.72 2ctf s SER 29 Cb -0.19 -0.27 -0.04 0.00 -1.71 0.00 0.00 66.02 63.81 2ctf s SER 29 CO -0.06 0.06 -0.10 -0.94 1.20 0.00 0.00 173.24 173.40 2ctf s SER 30 N -3.16 4.22 -0.14 5.45 1.04 -1.26 -0.08 113.70 119.77 2ctf s SER 30 Ca 0.26 -0.60 0.00 0.00 0.48 0.00 0.00 55.95 56.09 2ctf s SER 30 Cb -0.06 -0.70 0.03 0.00 0.10 0.00 0.00 66.02 65.39 2ctf s SER 30 CO 0.12 0.10 -0.11 -0.69 0.98 0.00 0.00 173.24 173.64 2ctf s VAL 31 N -1.75 1.38 -0.33 5.02 1.01 0.95 -4.95 120.40 121.72 2ctf s VAL 31 Ca 0.25 -0.55 -0.28 0.00 0.00 0.00 0.00 61.98 61.40 2ctf s VAL 31 Cb -0.09 -1.35 -0.07 0.00 0.00 0.00 0.00 36.38 34.88 2ctf s VAL 31 CO 0.15 0.39 2.29 0.00 0.00 0.00 0.00 175.10 177.94 2ctf n ALA 32 N 4.83 1.39 -2.90 5.51 0.00 -1.26 -1.68 120.51 126.39 2ctf n ALA 32 Ca -0.15 -0.45 -0.11 0.00 0.00 0.00 0.00 53.44 52.73 2ctf n ALA 32 Cb 0.50 -2.96 -0.13 0.00 0.00 0.00 0.00 19.45 16.85 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 9.47 0.06 1.05 0.00 0.00 -1.24 -4.96 121.76 126.14 2ctf s ALA 33 Ca 1.02 -0.19 -0.14 0.00 0.00 0.00 0.00 51.96 52.65 2ctf s ALA 33 Cb -0.36 0.04 0.22 0.00 0.00 0.00 0.00 23.12 23.02 2ctf s ALA 33 CO 0.34 -0.04 1.10 -1.25 0.00 0.00 0.00 175.76 175.90 2ctf s PRO 34 N -0.45 -0.00 -0.00 0.00 0.04 -1.26 -3.44 135.00 129.88 2ctf s PRO 34 Ca -0.05 0.37 0.03 0.00 0.04 0.00 0.00 61.00 61.39 2ctf s PRO 34 Cb -0.03 -1.70 -0.04 0.00 0.04 0.00 0.00 34.50 32.77 2ctf s PRO 34 CO -0.00 -2.99 0.06 -1.13 0.04 0.00 0.00 177.00 172.98 2ctf n SER 35 N -4.33 4.24 0.19 6.66 3.41 -1.26 -4.58 113.62 117.95 2ctf n SER 35 Ca 0.07 -0.02 0.13 0.00 -0.26 0.00 0.00 58.87 58.79 2ctf n SER 35 Cb 0.58 1.12 0.66 0.00 -0.26 0.00 0.00 64.21 66.31 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 -0.24 7.33 5.08 -1.97 -0.99 115.95 125.16 2ctf h TRP 36 Ca 0.00 0.00 -0.11 0.00 1.08 0.00 0.00 58.89 59.86 2ctf h TRP 36 Cb 0.12 0.00 -0.06 0.00 -3.00 0.00 0.00 29.16 26.22 2ctf h TRP 36 CO 0.00 0.00 -0.16 1.47 -1.28 0.00 0.00 178.44 178.47 2ctf n LEU 37 N -2.41 3.65 0.30 0.11 -0.00 -1.26 -4.68 117.00 112.70 2ctf n LEU 37 Ca -0.01 -3.67 0.16 0.00 -0.00 0.00 0.00 56.01 52.49 2ctf n LEU 37 Cb 0.09 -0.59 0.93 0.00 -0.00 0.00 0.00 43.42 43.85 2ctf n LEU 37 CO 0.14 1.19 1.10 0.45 -0.00 0.00 0.00 177.39 180.27 2ctf h HIS 38 N 1.01 0.00 0.00 1.47 3.86 -1.45 0.23 115.15 120.27 2ctf h HIS 38 Ca 0.13 0.00 -0.15 0.00 -1.16 0.00 0.00 60.37 59.20 2ctf h HIS 38 Cb 1.44 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 29.89 2ctf h HIS 38 CO 0.84 0.03 -0.87 -0.09 0.86 0.00 0.00 177.93 178.69 2ctf h ARG 39 N 0.00 0.00 0.14 2.45 9.65 -1.83 -3.13 114.38 121.66 2ctf h ARG 39 Ca -0.00 0.00 -0.34 0.00 -1.10 0.00 0.00 59.98 58.54 2ctf h ARG 39 Cb 0.10 0.00 -0.01 0.00 -1.39 0.00 0.00 29.97 28.68 2ctf h ARG 39 CO 0.00 0.53 -1.78 0.74 2.80 0.00 0.00 179.97 182.26 2ctf h PHE 40 N 0.00 0.54 0.00 2.20 0.04 -1.52 -2.53 116.94 115.67 2ctf h PHE 40 Ca -0.06 -0.39 -0.03 0.00 2.80 0.00 0.00 57.97 60.28 2ctf h PHE 40 Cb 1.53 -0.02 -0.00 0.00 2.20 0.00 0.00 35.95 39.65 2ctf h PHE 40 CO 0.00 1.70 -0.16 0.97 -0.60 0.00 0.00 178.31 180.22 2ctf h ILE 41 N -0.03 1.09 0.02 -0.55 2.10 -0.75 -3.13 117.51 116.26 2ctf h ILE 41 Ca -0.37 -0.57 -0.19 0.00 1.08 0.00 0.00 64.86 64.81 2ctf h ILE 41 Cb 1.98 1.31 -0.02 0.00 -1.09 0.00 0.00 36.82 39.00 2ctf h ILE 41 CO 0.10 0.16 -1.03 0.40 -1.08 0.00 0.00 178.15 176.71 2ctf h ILE 42 N 0.00 1.12 0.00 2.19 2.04 -1.68 -3.41 117.51 117.77 2ctf h ILE 42 Ca -0.00 -2.25 0.00 0.00 1.00 0.00 0.00 64.86 63.61 2ctf h ILE 42 Cb 0.30 2.55 0.00 0.00 -0.74 0.00 0.00 36.82 38.93 2ctf h ILE 42 CO 0.02 0.45 0.00 0.61 0.00 0.00 0.00 178.15 179.23 2ctf n GLY 43 N 1.53 2.84 0.18 5.37 0.00 -0.95 -3.22 105.19 110.94 2ctf n GLY 43 Ca -0.26 -1.79 -0.04 0.00 0.00 0.00 0.00 46.02 43.92 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 0.30 -1.13 1.61 1.57 -1.90 -2.96 116.57 114.05 2ctf h LYS 44 Ca 0.00 -0.02 -0.58 0.00 -1.87 0.00 0.00 60.65 58.18 2ctf h LYS 44 Cb 0.00 -0.07 -0.42 0.00 0.08 0.00 0.00 32.23 31.83 2ctf h LYS 44 CO 0.00 0.20 -0.67 1.63 -0.57 0.00 0.00 179.45 180.04 2ctf n LYS 45 N -5.02 3.48 -3.54 3.15 5.02 -1.26 -4.99 118.16 114.99 2ctf n LYS 45 Ca 0.03 -4.27 -0.30 0.00 -2.02 0.00 0.00 58.31 51.76 2ctf n LYS 45 Cb 0.17 -2.27 0.02 0.00 -0.02 0.00 0.00 35.03 32.93 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 -0.61 -0.57 0.41 0.72 0.00 -1.12 -4.92 105.19 99.10 2ctf n GLY 46 Ca 0.43 0.81 -0.09 0.00 0.00 0.00 0.00 46.02 47.17 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 0.23 0.02 1.61 -0.06 -1.20 -4.18 117.38 112.39 2ctf n GLN 47 Ca -0.20 0.08 -0.10 0.00 -2.00 0.00 0.00 57.00 54.78 2ctf n GLN 47 Cb 0.65 -1.01 -0.04 0.00 -4.06 0.00 0.00 30.24 25.78 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 -0.21 -0.47 0.26 1.69 2.35 -1.85 0.16 115.58 117.51 2ctf h ASN 48 Ca -0.24 0.08 -0.01 0.00 -0.55 0.00 0.00 56.30 55.57 2ctf h ASN 48 Cb 1.28 0.21 0.00 0.00 0.05 0.00 0.00 38.32 39.86 2ctf h ASN 48 CO -0.11 -0.20 -0.12 -0.07 -1.65 0.00 0.00 177.43 175.28 2ctf h LEU 49 N -0.21 -0.29 -0.68 1.61 3.38 -1.79 -2.39 115.31 114.93 2ctf h LEU 49 Ca 0.08 -0.19 0.14 0.00 0.09 0.00 0.00 57.88 58.01 2ctf h LEU 49 Cb 0.32 0.08 -0.11 0.00 0.09 0.00 0.00 40.66 41.04 2ctf h LEU 49 CO -0.21 0.04 0.08 0.00 0.09 0.00 0.00 178.44 178.45 2ctf h ALA 50 N -0.03 0.77 0.78 1.53 0.00 -1.69 0.13 119.26 120.76 2ctf h ALA 50 Ca -0.04 0.18 -0.04 0.00 0.00 0.00 0.00 54.91 55.02 2ctf h ALA 50 Cb 0.46 0.29 0.00 0.00 0.00 0.00 0.00 17.79 18.54 2ctf h ALA 50 CO 0.06 -0.37 -0.44 0.87 0.00 0.00 0.00 179.25 179.37 2ctf h LYS 51 N 0.19 -1.10 -0.02 0.00 1.79 -0.66 0.22 116.57 116.99 2ctf h LYS 51 Ca 0.37 0.07 0.03 0.00 -2.18 0.00 0.00 60.65 58.94 2ctf h LYS 51 Cb 0.62 0.25 -0.06 0.00 -1.58 0.00 0.00 32.23 31.46 2ctf h LYS 51 CO -0.53 -0.73 -0.46 0.82 -1.08 0.00 0.00 179.45 177.47 2ctf h ILE 52 N -1.14 0.09 -0.91 1.86 2.04 -0.93 -0.87 117.51 117.67 2ctf h ILE 52 Ca -0.11 0.00 0.13 0.00 1.00 0.00 0.00 64.86 65.89 2ctf h ILE 52 Cb 0.90 0.09 -0.07 0.00 -0.74 0.00 0.00 36.82 37.00 2ctf h ILE 52 CO 0.13 0.00 0.58 0.71 0.00 0.00 0.00 178.15 179.57 2ctf h THR 53 N -0.60 0.86 -0.79 -0.27 1.35 -0.76 0.37 112.91 113.07 2ctf h THR 53 Ca 0.04 -0.26 0.03 0.00 -0.55 0.00 0.00 66.41 65.67 2ctf h THR 53 Cb 0.68 0.03 -0.05 0.00 -1.73 0.00 0.00 68.15 67.09 2ctf h THR 53 CO -0.35 0.14 0.50 -0.61 -0.25 0.00 0.00 175.52 174.96 2ctf h GLN 54 N 0.76 0.96 0.03 4.72 5.75 0.79 -0.22 115.11 127.90 2ctf h GLN 54 Ca 0.45 -0.06 -0.24 0.00 -0.15 0.00 0.00 58.65 58.66 2ctf h GLN 54 Cb 0.64 -0.22 -0.03 0.00 1.07 0.00 0.00 27.48 28.95 2ctf h GLN 54 CO -0.21 0.63 -1.17 0.37 -2.65 0.00 0.00 178.83 175.80 2ctf h GLN 55 N 0.99 0.06 -2.67 1.69 5.75 -0.25 -3.39 115.11 117.28 2ctf h GLN 55 Ca 0.31 -0.11 -0.60 0.00 -0.15 0.00 0.00 58.65 58.10 2ctf h GLN 55 Cb -0.00 0.04 -0.40 0.00 1.07 0.00 0.00 27.48 28.19 2ctf h GLN 55 CO -0.11 0.98 -0.77 -1.33 -2.65 0.00 0.00 178.83 174.96 2ctf n MET 56 N -3.35 1.15 -0.01 1.69 2.81 0.12 -4.94 117.12 114.59 2ctf n MET 56 Ca -0.05 -3.90 -0.08 0.00 -1.81 0.00 0.00 57.70 51.86 2ctf n MET 56 Cb 0.97 -1.98 0.09 0.00 -0.71 0.00 0.00 33.22 31.60 2ctf n MET 56 CO 0.00 0.00 0.00 -1.00 1.51 0.00 0.00 175.97 176.48 2ctf h PRO 57 N 5.33 0.58 -0.50 0.03 0.13 -1.26 -3.03 132.00 133.27 2ctf h PRO 57 Ca 0.20 -0.31 0.08 0.00 -0.87 0.00 0.00 66.00 65.10 2ctf h PRO 57 Cb 0.82 0.01 -0.03 0.00 0.13 0.00 0.00 31.00 31.93 2ctf h PRO 57 CO 0.57 0.90 0.34 0.87 -0.23 0.00 0.00 178.00 180.45 2ctf h LYS 58 N 0.47 0.34 -6.45 0.86 1.57 -1.92 -3.41 116.57 108.04 2ctf h LYS 58 Ca 0.04 -0.02 -0.53 0.00 -1.87 0.00 0.00 60.65 58.27 2ctf h LYS 58 Cb 0.94 -0.08 -0.03 0.00 0.08 0.00 0.00 32.23 33.15 2ctf h LYS 58 CO 0.08 0.22 0.29 0.08 -0.57 0.00 0.00 179.45 179.56 2ctf s VAL 59 N -5.34 4.63 -0.25 0.50 1.01 -1.15 -4.46 120.40 115.34 2ctf s VAL 59 Ca -0.07 1.91 -0.06 0.00 0.00 0.00 0.00 61.98 63.76 2ctf s VAL 59 Cb 0.19 -4.25 -0.01 0.00 0.00 0.00 0.00 36.38 32.31 2ctf s VAL 59 CO 0.74 0.31 0.03 -2.28 0.00 0.00 0.00 175.10 173.90 2ctf s HIS 60 N 0.11 3.06 -0.31 5.22 2.46 -0.32 -4.92 115.29 120.59 2ctf s HIS 60 Ca 0.44 -0.77 -0.17 0.00 0.47 0.00 0.00 55.06 55.03 2ctf s HIS 60 Cb -0.22 -2.19 -0.02 0.00 -0.13 0.00 0.00 32.58 30.02 2ctf s HIS 60 CO 0.27 -0.49 0.48 0.42 -2.47 0.00 0.00 174.74 172.95 2ctf s ILE 61 N 1.53 5.07 0.06 0.89 1.01 -1.26 -2.62 121.20 125.88 2ctf s ILE 61 Ca 0.05 0.52 0.06 0.00 0.00 0.00 0.00 60.65 61.28 2ctf s ILE 61 Cb -0.15 -3.87 -0.04 0.00 0.01 0.00 0.00 42.46 38.41 2ctf s ILE 61 CO 0.01 -0.06 -0.11 -0.70 0.00 0.00 0.00 174.94 174.08 2ctf s GLU 62 N 2.29 2.23 -0.04 2.79 2.56 -0.74 -5.00 118.70 122.79 2ctf s GLU 62 Ca 0.18 -0.93 0.04 0.00 0.00 0.00 0.00 54.97 54.26 2ctf s GLU 62 Cb -0.16 -2.34 -0.00 0.00 2.00 0.00 0.00 34.13 33.63 2ctf s GLU 62 CO 0.11 0.54 -0.17 -0.06 -0.56 0.00 0.00 175.26 175.12 2ctf s PHE 63 N -1.10 1.70 0.07 5.30 0.08 -1.26 -2.77 117.98 119.99 2ctf s PHE 63 Ca 0.19 -0.49 0.08 0.00 0.12 0.00 0.00 56.93 56.83 2ctf s PHE 63 Cb -0.11 -1.15 -0.03 0.00 -0.57 0.00 0.00 43.02 41.16 2ctf s PHE 63 CO 0.10 -0.17 -0.19 0.95 -0.10 0.00 0.00 175.22 175.82 2ctf s THR 64 N 0.05 2.76 -0.11 0.64 -4.23 -1.15 -5.04 115.64 108.56 2ctf s THR 64 Ca -0.04 -1.32 -0.10 0.00 -1.18 0.00 0.00 61.69 59.04 2ctf s THR 64 Cb -0.12 -2.20 -0.27 0.00 1.34 0.00 0.00 72.50 71.26 2ctf s THR 64 CO 0.02 0.25 0.45 -0.08 -0.54 0.00 0.00 174.62 174.72 2ctf h GLU 65 N 4.25 0.27 0.00 3.99 4.57 -1.99 -3.34 114.58 122.33 2ctf h GLU 65 Ca -0.48 -0.46 -0.11 0.00 -1.18 0.00 0.00 59.36 57.12 2ctf h GLU 65 Cb 1.16 0.17 -0.02 0.00 -0.16 0.00 0.00 28.75 29.90 2ctf h GLU 65 CO 0.47 1.22 -0.96 0.41 -1.18 0.00 0.00 179.01 178.97 2ctf n GLY 66 N 1.88 -0.84 0.35 1.92 0.00 -1.26 -4.17 105.19 103.06 2ctf n GLY 66 Ca -0.29 -0.08 0.14 0.00 0.00 0.00 0.00 46.02 45.78 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 -1.00 0.00 -6.55 1.61 4.39 -2.00 -3.45 114.58 107.58 2ctf h GLU 67 Ca -0.17 0.00 -0.51 0.00 0.34 0.00 0.00 59.36 59.02 2ctf h GLU 67 Cb 0.90 0.00 -0.05 0.00 -0.10 0.00 0.00 28.75 29.50 2ctf h GLU 67 CO -0.10 0.00 -0.91 -0.25 -1.16 0.00 0.00 179.01 176.59 2ctf n ASP 68 N -2.93 -1.00 -3.85 1.42 8.00 -1.25 -4.95 116.55 111.99 2ctf n ASP 68 Ca -0.00 -1.05 -0.09 0.00 0.71 0.00 0.00 54.79 54.35 2ctf n ASP 68 Cb 0.52 -2.86 -0.04 0.00 -0.02 0.00 0.00 41.12 38.72 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 -6.62 1.48 -0.18 -1.24 -2.85 -1.22 -3.73 119.74 105.38 2ctf s LYS 69 Ca 0.09 -1.02 -0.01 0.00 -1.00 0.00 0.00 55.97 54.03 2ctf s LYS 69 Cb -0.04 0.51 0.00 0.00 -2.06 0.00 0.00 37.83 36.25 2ctf s LYS 69 CO 0.90 -0.63 -0.13 0.42 0.10 0.00 0.00 175.35 176.01 2ctf s ILE 70 N -3.93 2.76 -0.25 3.79 1.01 -0.68 -2.95 121.20 120.95 2ctf s ILE 70 Ca 0.14 -0.72 -0.13 0.00 0.00 0.00 0.00 60.65 59.94 2ctf s ILE 70 Cb -0.01 -2.20 -0.04 0.00 0.01 0.00 0.00 42.46 40.21 2ctf s ILE 70 CO 0.02 0.49 0.29 -0.89 0.00 0.00 0.00 174.94 174.85 2ctf s THR 71 N 1.12 5.25 -0.05 2.92 2.01 -1.12 -0.03 115.64 125.75 2ctf s THR 71 Ca 0.01 0.41 -0.00 0.00 0.31 0.00 0.00 61.69 62.41 2ctf s THR 71 Cb -0.14 -3.62 -0.03 0.00 0.01 0.00 0.00 72.50 68.71 2ctf s THR 71 CO -0.04 0.24 -0.00 -0.76 -0.69 0.00 0.00 174.62 173.36 2ctf s LEU 72 N 1.65 3.53 -0.06 4.42 2.01 0.88 -1.80 118.68 129.32 2ctf s LEU 72 Ca 0.12 0.07 0.01 0.00 0.01 0.00 0.00 54.13 54.34 2ctf s LEU 72 Cb -0.15 -1.90 0.02 0.00 0.01 0.00 0.00 46.19 44.17 2ctf s LEU 72 CO 0.09 0.33 -0.06 -1.61 1.01 0.00 0.00 176.35 176.11 2ctf s GLU 73 N -1.18 1.05 0.00 1.70 2.02 -1.08 -2.13 118.70 119.08 2ctf s GLU 73 Ca 0.16 -0.16 0.00 0.00 0.02 0.00 0.00 54.97 54.99 2ctf s GLU 73 Cb -0.11 -1.03 0.00 0.00 0.10 0.00 0.00 34.13 33.08 2ctf s GLU 73 CO 0.06 -0.10 0.00 0.41 0.02 0.00 0.00 175.26 175.65 2ctf n GLY 74 N 4.19 -0.89 3.70 -1.39 0.00 -0.82 -1.17 105.19 108.81 2ctf n GLY 74 Ca -0.22 -1.35 -0.42 0.00 0.00 0.00 0.00 46.02 44.03 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 4.31 0.58 1.61 0.04 -1.26 -1.91 135.00 136.36 2ctf s PRO 75 Ca 0.00 2.03 0.42 0.00 0.04 0.00 0.00 61.00 63.49 2ctf s PRO 75 Cb 0.00 -3.39 1.45 0.00 0.04 0.00 0.00 34.50 32.60 2ctf s PRO 75 CO 0.00 -0.49 1.48 0.00 0.04 0.00 0.00 177.00 178.04 2ctf h THR 76 N 4.54 0.01 0.65 1.26 1.03 -1.84 0.39 112.91 118.95 2ctf h THR 76 Ca -0.41 0.00 -0.03 0.00 -0.01 0.00 0.00 66.41 65.96 2ctf h THR 76 Cb 1.20 0.01 0.01 0.00 -1.07 0.00 0.00 68.15 68.30 2ctf h THR 76 CO 0.88 0.00 -0.31 -0.08 -0.01 0.00 0.00 175.52 176.00 2ctf h GLU 77 N 0.00 -0.84 -0.05 0.00 4.81 -1.98 -2.53 114.58 113.99 2ctf h GLU 77 Ca 0.78 0.06 -0.07 0.00 -0.13 0.00 0.00 59.36 60.00 2ctf h GLU 77 Cb 3.46 0.19 0.00 0.00 0.63 0.00 0.00 28.75 33.03 2ctf h GLU 77 CO -0.01 -0.52 -0.23 0.22 -0.73 0.00 0.00 179.01 177.74 2ctf h ASP 78 N -1.15 0.29 -1.11 1.04 1.82 -0.81 -3.19 116.42 113.31 2ctf h ASP 78 Ca -0.09 -0.65 0.31 0.00 -0.39 0.00 0.00 57.03 56.21 2ctf h ASP 78 Cb 0.70 -0.09 -0.08 0.00 0.68 0.00 0.00 39.33 40.54 2ctf h ASP 78 CO 0.15 0.89 0.75 0.58 -1.61 0.00 0.00 179.24 179.99 2ctf h VAL 79 N -0.30 0.45 -0.27 2.25 2.07 -0.57 0.35 116.25 120.22 2ctf h VAL 79 Ca -0.01 -0.08 -0.13 0.00 0.82 0.00 0.00 66.70 67.29 2ctf h VAL 79 Cb 0.88 0.19 -0.00 0.00 -1.52 0.00 0.00 31.29 30.84 2ctf h VAL 79 CO 0.05 0.04 -0.34 -1.28 0.02 0.00 0.00 177.57 176.06 2ctf h SER 80 N 0.24 0.77 -0.39 0.57 0.87 -1.44 -0.55 113.55 113.62 2ctf h SER 80 Ca 0.61 -0.50 -0.16 0.00 -1.23 0.00 0.00 61.79 60.51 2ctf h SER 80 Cb 1.85 -0.22 -0.01 0.00 -0.44 0.00 0.00 62.40 63.59 2ctf h SER 80 CO -0.22 1.11 -0.37 0.58 -0.53 0.00 0.00 176.83 177.40 2ctf h VAL 81 N 0.45 1.27 0.42 2.23 2.07 -0.46 -2.18 116.25 120.06 2ctf h VAL 81 Ca 0.03 -1.55 -0.02 0.00 0.82 0.00 0.00 66.70 65.99 2ctf h VAL 81 Cb 0.92 1.36 0.00 0.00 -1.52 0.00 0.00 31.29 32.06 2ctf h VAL 81 CO 0.08 0.52 -0.20 0.00 0.02 0.00 0.00 177.57 177.99 2ctf h ALA 82 N 0.78 -0.57 -0.65 1.67 0.00 -0.73 -1.40 119.26 118.36 2ctf h ALA 82 Ca 0.06 -0.18 0.16 0.00 0.00 0.00 0.00 54.91 54.95 2ctf h ALA 82 Cb 0.97 0.22 -0.03 0.00 0.00 0.00 0.00 17.79 18.94 2ctf h ALA 82 CO 0.09 -0.61 0.45 -0.56 0.00 0.00 0.00 179.25 178.63 2ctf h GLN 83 N -0.99 0.14 -0.07 0.00 3.07 -1.18 -1.12 115.11 114.96 2ctf h GLN 83 Ca -0.06 -0.01 -0.10 0.00 0.09 0.00 0.00 58.65 58.58 2ctf h GLN 83 Cb 0.55 -0.03 0.00 0.00 0.08 0.00 0.00 27.48 28.09 2ctf h GLN 83 CO 0.10 0.10 -0.34 1.49 0.09 0.00 0.00 178.83 180.26 2ctf h GLU 84 N 0.15 0.36 -0.25 0.06 4.81 -1.34 -2.56 114.58 115.82 2ctf h GLU 84 Ca 0.31 -0.29 0.07 0.00 -0.13 0.00 0.00 59.36 59.33 2ctf h GLU 84 Cb 1.02 0.06 -0.01 0.00 0.63 0.00 0.00 28.75 30.45 2ctf h GLU 84 CO -0.05 0.93 0.20 1.96 -0.73 0.00 0.00 179.01 181.32 2ctf h GLN 85 N -0.13 0.00 0.17 1.92 4.20 -0.06 -1.10 115.11 120.11 2ctf h GLN 85 Ca -0.02 0.00 -0.30 0.00 0.06 0.00 0.00 58.65 58.39 2ctf h GLN 85 Cb 0.99 0.00 0.01 0.00 0.30 0.00 0.00 27.48 28.78 2ctf h GLN 85 CO 0.07 0.00 -1.35 0.82 -0.67 0.00 0.00 178.83 177.70 2ctf h ILE 86 N 0.00 1.40 0.00 2.54 2.04 -1.37 -3.12 117.51 118.99 2ctf h ILE 86 Ca 0.12 -2.93 -0.00 0.00 1.00 0.00 0.00 64.86 63.05 2ctf h ILE 86 Cb 0.51 2.96 -0.00 0.00 -0.74 0.00 0.00 36.82 39.55 2ctf h ILE 86 CO -0.00 0.86 -0.02 -0.33 0.00 0.00 0.00 178.15 178.66 2ctf h GLU 87 N 0.10 0.00 0.08 2.37 5.08 -0.78 -0.84 114.58 120.59 2ctf h GLU 87 Ca -0.18 0.00 -0.23 0.00 -1.00 0.00 0.00 59.36 57.95 2ctf h GLU 87 Cb 2.04 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 31.29 2ctf h GLU 87 CO 0.22 0.02 -1.16 0.78 -1.00 0.00 0.00 179.01 177.88 2ctf h GLY 88 N 0.76 0.20 1.25 -3.84 0.00 -1.48 -3.23 103.07 96.73 2ctf h GLY 88 Ca -0.00 -0.52 -0.12 0.00 0.00 0.00 0.00 47.33 46.69 2ctf h GLY 88 CO 0.00 0.45 -0.23 0.00 0.00 0.00 0.00 176.54 176.77 2ctf h MET 89 N -0.51 0.85 -0.31 4.80 -0.00 -1.45 -2.35 114.93 115.96 2ctf h MET 89 Ca -0.26 -0.35 -0.03 0.00 -0.00 0.00 0.00 59.70 59.05 2ctf h MET 89 Cb 1.58 -0.03 -0.02 0.00 -0.00 0.00 0.00 31.60 33.13 2ctf h MET 89 CO 0.01 0.99 0.05 0.28 -0.00 0.00 0.00 176.91 178.25 2ctf h VAL 90 N 0.74 1.16 -0.07 -0.10 2.07 -1.32 -1.67 116.25 117.06 2ctf h VAL 90 Ca 0.10 -0.59 -0.09 0.00 0.82 0.00 0.00 66.70 66.95 2ctf h VAL 90 Cb 0.76 0.87 0.00 0.00 -1.52 0.00 0.00 31.29 31.40 2ctf h VAL 90 CO 0.06 0.21 -0.29 0.50 0.02 0.00 0.00 177.57 178.07 2ctf h LYS 91 N 0.45 0.32 -0.73 1.57 1.63 -1.53 -2.97 116.57 115.30 2ctf h LYS 91 Ca 0.11 -0.25 0.03 0.00 -0.85 0.00 0.00 60.65 59.69 2ctf h LYS 91 Cb 0.21 0.05 -0.05 0.00 -0.60 0.00 0.00 32.23 31.85 2ctf h LYS 91 CO -0.00 0.89 0.46 0.22 -3.45 0.00 0.00 179.45 177.57 2ctf h ASP 92 N -0.19 0.76 -0.31 4.20 1.82 -1.21 0.53 116.42 122.02 2ctf h ASP 92 Ca -0.02 -0.00 0.03 0.00 -0.39 0.00 0.00 57.03 56.65 2ctf h ASP 92 Cb 0.94 -0.16 -0.03 0.00 0.68 0.00 0.00 39.33 40.76 2ctf h ASP 92 CO 0.06 0.52 0.14 -0.07 -1.61 0.00 0.00 179.24 178.28 2ctf h LEU 93 N 0.90 0.19 -0.10 2.28 3.38 -1.36 -1.64 115.31 118.97 2ctf h LEU 93 Ca 0.29 0.02 -0.01 0.00 0.09 0.00 0.00 57.88 58.27 2ctf h LEU 93 Cb 0.02 -0.01 -0.00 0.00 0.09 0.00 0.00 40.66 40.75 2ctf h LEU 93 CO -0.11 0.15 0.01 0.40 0.09 0.00 0.00 178.44 178.98 2ctf h ILE 94 N 0.30 1.24 -0.92 1.22 2.04 -1.29 -2.89 117.51 117.20 2ctf h ILE 94 Ca 0.13 -0.74 0.18 0.00 1.00 0.00 0.00 64.86 65.43 2ctf h ILE 94 Cb 0.06 1.55 -0.11 0.00 -0.74 0.00 0.00 36.82 37.58 2ctf h ILE 94 CO -0.11 0.21 0.49 0.78 0.00 0.00 0.00 178.15 179.53 2ctf h ASN 95 N -0.09 0.58 0.25 1.72 2.35 -0.71 -1.51 115.58 118.17 2ctf h ASN 95 Ca 0.03 0.11 -0.01 0.00 -0.55 0.00 0.00 56.30 55.88 2ctf h ASN 95 Cb 0.32 0.02 0.00 0.00 0.05 0.00 0.00 38.32 38.72 2ctf h ASN 95 CO 0.00 0.18 -0.12 0.03 -1.65 0.00 0.00 177.43 175.87 2ctf h ARG 96 N 0.62 -0.32 -6.24 0.81 2.47 -1.17 -3.41 114.38 107.13 2ctf h ARG 96 Ca 0.53 0.02 -0.55 0.00 -1.26 0.00 0.00 59.98 58.72 2ctf h ARG 96 Cb 0.86 0.07 -0.02 0.00 -1.65 0.00 0.00 29.97 29.24 2ctf h ARG 96 CO -0.41 -0.19 1.06 0.45 0.56 0.00 0.00 179.97 181.44 2ctf s SER 97 N -4.92 6.68 -0.08 7.04 0.15 -0.57 -3.89 113.70 118.10 2ctf s SER 97 Ca -0.15 2.08 -0.01 0.00 0.70 0.00 0.00 55.95 58.58 2ctf s SER 97 Cb 0.05 -2.53 0.00 0.00 -1.71 0.00 0.00 66.02 61.82 2ctf s SER 97 CO 0.64 -0.94 0.09 0.61 1.20 0.00 0.00 173.24 174.84 2ctf n GLY 98 N 4.11 -0.53 3.65 9.45 0.00 -1.26 -4.90 105.19 115.70 2ctf n GLY 98 Ca 0.17 -0.06 -0.43 0.00 0.00 0.00 0.00 46.02 45.71 2ctf n GLY 98 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2ctf s PRO 99 N -2.43 4.03 -0.28 1.61 0.04 -1.25 -4.98 135.00 131.74 2ctf s PRO 99 Ca 0.01 1.86 -0.27 0.00 0.04 0.00 0.00 61.00 62.64 2ctf s PRO 99 Cb -0.00 -3.96 0.01 0.00 0.04 0.00 0.00 34.50 30.58 2ctf s PRO 99 CO 0.10 -1.00 0.97 -1.12 0.04 0.00 0.00 177.00 175.98 2ctf s SER 100 N 3.43 6.90 -0.04 6.66 0.01 -1.26 -4.95 113.70 124.45 2ctf s SER 100 Ca 0.69 1.04 -0.20 0.00 1.31 0.00 0.00 55.95 58.79 2ctf s SER 100 Cb -0.27 -2.50 -0.14 0.00 0.21 0.00 0.00 66.02 63.32 2ctf s SER 100 CO 0.26 -0.72 0.87 0.28 0.41 0.00 0.00 173.24 174.34 2ctf h SER 101 N 7.88 -0.29 0.00 2.44 0.02 -2.04 -3.55 113.55 118.01 2ctf h SER 101 Ca -0.21 -0.22 0.00 0.00 -0.84 0.00 0.00 61.79 60.52 2ctf h SER 101 Cb 1.07 0.08 0.00 0.00 0.14 0.00 0.00 62.40 63.69 2ctf h SER 101 CO 0.97 0.20 0.00 0.61 -1.14 0.00 0.00 176.83 177.46