#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3fic s ILE 4 N 0.00 4.92 0.05 -0.18 1.01 -1.25 -3.16 121.20 122.59 3fic s ILE 4 Ca 0.00 1.60 0.01 0.00 0.00 0.00 0.00 60.65 62.26 3fic s ILE 4 Cb 0.00 -4.12 -0.04 0.00 0.01 0.00 0.00 42.46 38.31 3fic s ILE 4 CO 0.00 0.09 0.14 -0.60 0.00 0.00 0.00 174.94 174.56 3fic s ARG 5 N 1.76 3.17 -0.02 2.79 3.52 0.41 -3.60 118.95 126.99 3fic s ARG 5 Ca 0.39 -0.52 0.00 0.00 -0.13 0.00 0.00 55.73 55.47 3fic s ARG 5 Cb -0.17 -2.90 0.02 0.00 -1.56 0.00 0.00 34.95 30.34 3fic s ARG 5 CO 0.15 0.61 0.01 0.96 -0.81 0.00 0.00 175.30 176.22 3fic s ILE 6 N -1.38 0.05 0.21 4.11 -5.25 -1.21 0.11 121.20 117.82 3fic s ILE 6 Ca 0.30 0.10 0.05 0.00 -0.99 0.00 0.00 60.65 60.11 3fic s ILE 6 Cb -0.12 -0.13 -0.03 0.00 2.95 0.00 0.00 42.46 45.12 3fic s ILE 6 CO 0.22 0.08 0.23 -0.54 -1.79 0.00 0.00 174.94 173.15 3fic s LYS 7 N 0.72 3.13 -0.31 0.37 -0.14 0.34 -3.54 119.74 120.30 3fic s LYS 7 Ca -0.06 -0.86 0.01 0.00 -1.36 0.00 0.00 55.97 53.69 3fic s LYS 7 Cb -0.09 -2.73 0.14 0.00 -1.68 0.00 0.00 37.83 33.47 3fic s LYS 7 CO -0.02 0.45 0.32 -0.51 -0.76 0.00 0.00 175.35 174.84 3fic s LEU 8 N -3.57 -0.23 0.00 3.17 1.02 -0.56 -2.95 118.68 115.55 3fic s LEU 8 Ca 0.33 -0.94 0.00 0.00 0.02 0.00 0.00 54.13 53.54 3fic s LEU 8 Cb -0.09 0.56 0.00 0.00 0.02 0.00 0.00 46.19 46.67 3fic s LEU 8 CO 0.26 -0.36 0.00 0.54 0.02 0.00 0.00 176.35 176.82 3fic n ARG 9 N 5.05 3.45 0.00 1.70 1.74 -0.97 -0.91 116.66 126.71 3fic n ARG 9 Ca 0.01 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.09 3fic n ARG 9 Cb 0.46 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.90 3fic n ARG 9 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3fic n GLY 10 N 5.00 -0.35 1.47 -0.13 0.00 -1.24 -4.35 105.19 105.59 3fic n GLY 10 Ca 0.00 -2.15 0.00 0.00 0.00 0.00 0.00 46.02 43.87 3fic n GLY 10 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3fic n PHE 11 N 0.00 0.00 -1.87 1.61 0.99 -1.26 -3.61 117.46 113.32 3fic n PHE 11 Ca 0.00 0.00 -0.42 0.00 -0.00 0.00 0.00 57.45 57.03 3fic n PHE 11 Cb 0.00 0.24 -0.03 0.00 -1.00 0.00 0.00 39.48 38.69 3fic n PHE 11 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.76 176.25 3fic s ASP 12 N -4.49 5.59 0.00 4.37 -0.00 -1.26 -4.45 116.67 116.42 3fic s ASP 12 Ca 0.00 1.31 0.10 0.00 -0.00 0.00 0.00 52.55 53.96 3fic s ASP 12 Cb 0.00 -2.52 0.59 0.00 -0.00 0.00 0.00 42.92 40.99 3fic s ASP 12 CO 0.00 -1.95 1.03 0.00 -0.00 0.00 0.00 175.17 174.25 3fic n HIS 13 N 11.38 0.00 0.13 4.23 1.44 -1.26 -1.69 115.22 129.46 3fic n HIS 13 Ca 0.25 0.00 -0.22 0.00 -2.01 0.00 0.00 57.72 55.75 3fic n HIS 13 Cb 0.48 0.00 -0.15 0.00 0.12 0.00 0.00 29.99 30.43 3fic n HIS 13 CO 0.00 0.00 0.00 -0.22 -2.81 0.00 0.00 176.34 173.31 3fic h LYS 14 N 0.00 0.45 0.00 -1.40 3.64 -2.00 -3.20 116.57 114.06 3fic h LYS 14 Ca 0.00 -0.77 0.00 0.00 -1.27 0.00 0.00 60.65 58.61 3fic h LYS 14 Cb 0.00 0.29 0.00 0.00 -0.41 0.00 0.00 32.23 32.11 3fic h LYS 14 CO 0.00 1.37 -0.07 1.79 -2.27 0.00 0.00 179.45 180.26 3fic h THR 15 N 0.13 0.00 -0.76 1.00 1.35 -1.72 -3.33 112.91 109.57 3fic h THR 15 Ca -0.21 -0.38 0.26 0.00 -0.55 0.00 0.00 66.41 65.53 3fic h THR 15 Cb 2.10 0.00 -0.14 0.00 -1.73 0.00 0.00 68.15 68.38 3fic h THR 15 CO 0.25 0.00 0.19 -0.11 -0.25 0.00 0.00 175.52 175.60 3fic n LEU 16 N -3.08 0.07 -0.02 3.87 -0.00 -1.10 0.17 117.00 116.90 3fic n LEU 16 Ca -0.01 1.28 -0.10 0.00 -0.00 0.00 0.00 56.01 57.18 3fic n LEU 16 Cb 0.04 -0.53 -0.04 0.00 -0.00 0.00 0.00 43.42 42.89 3fic n LEU 16 CO 0.02 -1.35 0.87 -0.78 -0.00 0.00 0.00 177.39 176.14 3fic h ASP 17 N 0.00 -0.05 0.80 1.96 3.58 -1.72 -0.63 116.42 120.36 3fic h ASP 17 Ca 0.54 0.03 -0.04 0.00 0.42 0.00 0.00 57.03 57.99 3fic h ASP 17 Cb 1.29 0.05 0.01 0.00 1.72 0.00 0.00 39.33 42.40 3fic h ASP 17 CO -0.66 -0.00 -0.38 0.00 -2.88 0.00 0.00 179.24 175.32 3fic h ALA 18 N 1.12 -1.09 -1.14 -0.78 0.00 0.15 0.17 119.26 117.70 3fic h ALA 18 Ca 0.07 -0.23 0.32 0.00 0.00 0.00 0.00 54.91 55.06 3fic h ALA 18 Cb 0.08 0.41 -0.08 0.00 0.00 0.00 0.00 17.79 18.20 3fic h ALA 18 CO -0.11 -1.01 0.76 0.66 0.00 0.00 0.00 179.25 179.55 3fic h SER 19 N -1.27 0.26 0.14 0.00 4.64 -1.20 0.26 113.55 116.39 3fic h SER 19 Ca -0.11 0.06 -0.01 0.00 -0.47 0.00 0.00 61.79 61.26 3fic h SER 19 Cb 0.82 0.02 0.00 0.00 -0.31 0.00 0.00 62.40 62.93 3fic h SER 19 CO 0.18 0.02 -0.07 0.00 -0.87 0.00 0.00 176.83 176.09 3fic h ALA 20 N 1.54 -0.19 -1.05 5.18 0.00 -0.99 -3.21 119.26 120.53 3fic h ALA 20 Ca 0.62 -0.20 0.28 0.00 0.00 0.00 0.00 54.91 55.61 3fic h ALA 20 Cb 1.93 0.07 -0.07 0.00 0.00 0.00 0.00 17.79 19.72 3fic h ALA 20 CO -0.21 -0.23 0.71 0.37 0.00 0.00 0.00 179.25 179.90 3fic h GLN 21 N -0.96 0.23 -0.69 0.00 4.15 0.10 0.66 115.11 118.61 3fic h GLN 21 Ca -0.02 -0.01 -0.00 0.00 0.77 0.00 0.00 58.65 59.38 3fic h GLN 21 Cb 0.46 -0.05 -0.03 0.00 0.21 0.00 0.00 27.48 28.06 3fic h GLN 21 CO 0.03 0.15 0.42 -0.22 -1.93 0.00 0.00 178.83 177.29 3fic h LYS 22 N 0.24 0.94 -2.14 1.69 3.11 -0.63 -2.99 116.57 116.79 3fic h LYS 22 Ca 0.56 -0.09 -0.05 0.00 -2.81 0.00 0.00 60.65 58.26 3fic h LYS 22 Cb 1.71 -0.20 -0.02 0.00 -1.00 0.00 0.00 32.23 32.72 3fic h LYS 22 CO -0.17 0.67 -0.04 -0.89 -2.81 0.00 0.00 179.45 176.21 3fic n ILE 23 N -4.55 1.59 0.02 2.00 5.41 0.23 -2.18 119.36 121.89 3fic n ILE 23 Ca 0.06 -0.61 0.00 0.00 1.00 0.00 0.00 62.75 63.20 3fic n ILE 23 Cb 0.06 -1.54 0.00 0.00 -0.71 0.00 0.00 39.64 37.45 3fic n ILE 23 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 176.55 177.07 3fic n VAL 24 N 2.09 0.00 0.32 1.39 0.31 -1.14 -4.48 118.33 116.82 3fic n VAL 24 Ca 0.12 0.00 0.20 0.00 -0.01 0.00 0.00 64.34 64.65 3fic n VAL 24 Cb 0.45 -0.17 1.04 0.00 -0.91 0.00 0.00 33.84 34.24 3fic n VAL 24 CO 0.00 0.00 0.00 -0.33 -1.32 0.00 0.00 176.83 175.18 3fic h GLU 25 N 0.00 0.00 -0.00 5.55 5.08 -1.47 0.98 114.58 124.71 3fic h GLU 25 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3fic h GLU 25 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 3fic h GLU 25 CO 0.00 0.01 -0.58 0.00 -1.00 0.00 0.00 179.01 177.45 3fic n ALA 26 N -2.12 3.68 0.08 3.43 0.00 -0.92 -4.09 120.51 120.57 3fic n ALA 26 Ca -0.02 -0.47 0.11 0.00 0.00 0.00 0.00 53.44 53.07 3fic n ALA 26 Cb 0.14 -0.55 -0.07 0.00 0.00 0.00 0.00 19.45 18.97 3fic n ALA 26 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3fic n ALA 27 N -0.92 2.69 0.07 0.00 0.00 0.14 -3.75 120.51 118.74 3fic n ALA 27 Ca 0.04 -0.36 -0.21 0.00 0.00 0.00 0.00 53.44 52.91 3fic n ALA 27 Cb 0.27 -0.95 -0.15 0.00 0.00 0.00 0.00 19.45 18.62 3fic n ALA 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3fic h ARG 28 N 0.00 0.34 0.00 0.00 3.08 -1.20 -3.30 114.38 113.31 3fic h ARG 28 Ca 0.00 -0.59 -0.02 0.00 0.07 0.00 0.00 59.98 59.44 3fic h ARG 28 Cb 0.98 0.22 -0.00 0.00 0.08 0.00 0.00 29.97 31.25 3fic h ARG 28 CO 0.00 1.24 -0.12 -0.09 -1.07 0.00 0.00 179.97 179.94 3fic h ARG 29 N 0.09 0.00 -0.57 0.04 2.43 -1.72 -2.35 114.38 112.30 3fic h ARG 29 Ca -0.31 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.86 3fic h ARG 29 Cb 2.07 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 31.62 3fic h ARG 29 CO 0.17 0.12 0.00 -1.13 -1.51 0.00 0.00 179.97 177.62 3fic n SER 30 N -3.69 2.51 0.00 -3.80 3.41 -1.24 -5.02 113.62 105.79 3fic n SER 30 Ca -0.02 -2.21 0.00 0.00 -0.26 0.00 0.00 58.87 56.38 3fic n SER 30 Cb 0.23 -0.41 0.00 0.00 -0.26 0.00 0.00 64.21 63.77 3fic n SER 30 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3fic n GLY 31 N 0.68 0.14 2.79 5.00 0.00 -0.88 -3.75 105.19 109.17 3fic n GLY 31 Ca 0.12 -1.31 -0.33 0.00 0.00 0.00 0.00 46.02 44.49 3fic n GLY 31 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3fic n ALA 32 N -1.00 -3.83 -1.65 4.61 0.00 -1.26 -4.72 120.51 112.66 3fic n ALA 32 Ca 0.00 -0.27 -0.29 0.00 0.00 0.00 0.00 53.44 52.87 3fic n ALA 32 Cb 0.00 -1.15 0.16 0.00 0.00 0.00 0.00 19.45 18.45 3fic n ALA 32 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 3fic s GLN 33 N -1.25 0.82 0.07 0.00 -0.21 -1.26 -4.42 119.66 113.39 3fic s GLN 33 Ca 0.44 0.02 -0.04 0.00 0.02 0.00 0.00 55.36 55.80 3fic s GLN 33 Cb -0.33 -1.83 -0.02 0.00 1.00 0.00 0.00 33.01 31.83 3fic s GLN 33 CO 0.65 -2.36 0.06 0.08 -2.12 0.00 0.00 175.29 171.59 3fic s VAL 34 N -3.46 0.19 -0.43 1.09 1.01 -1.26 -2.48 120.40 115.06 3fic s VAL 34 Ca 0.67 -1.54 -0.21 0.00 0.00 0.00 0.00 61.98 60.90 3fic s VAL 34 Cb -0.10 -1.44 0.02 0.00 0.00 0.00 0.00 36.38 34.86 3fic s VAL 34 CO 0.53 -0.85 0.65 -0.94 0.00 0.00 0.00 175.10 174.49 3fic s SER 35 N -2.88 6.34 0.21 3.32 1.04 -0.59 -5.00 113.70 116.14 3fic s SER 35 Ca 0.06 -0.27 -0.14 0.00 0.48 0.00 0.00 55.95 56.08 3fic s SER 35 Cb 0.07 -2.32 -0.10 0.00 0.10 0.00 0.00 66.02 63.76 3fic s SER 35 CO -0.10 -0.76 0.13 0.61 0.98 0.00 0.00 173.24 174.10 3fic n GLY 36 N 4.99 -1.49 3.44 7.32 0.00 -1.26 -3.72 105.19 114.47 3fic n GLY 36 Ca -0.01 0.06 -0.47 0.00 0.00 0.00 0.00 46.02 45.60 3fic n GLY 36 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3fic n PRO 37 N 0.76 0.47 -3.21 1.61 -0.02 -1.26 -4.78 135.00 128.57 3fic n PRO 37 Ca 0.08 0.08 -0.40 0.00 -2.02 0.00 0.00 63.50 61.24 3fic n PRO 37 Cb 0.22 -2.09 -0.07 0.00 -0.02 0.00 0.00 33.50 31.53 3fic n PRO 37 CO 0.00 0.00 0.00 0.96 1.98 0.00 0.00 175.50 178.44 3fic s ILE 38 N 8.47 5.05 -0.81 4.25 -4.36 0.33 -4.95 121.20 129.18 3fic s ILE 38 Ca 1.19 0.87 -0.22 0.00 -0.26 0.00 0.00 60.65 62.24 3fic s ILE 38 Cb -1.02 -3.86 0.08 0.00 1.25 0.00 0.00 42.46 38.92 3fic s ILE 38 CO 0.49 0.05 1.12 -2.16 0.24 0.00 0.00 174.94 174.67 3fic s PRO 39 N 2.36 3.34 0.78 0.37 0.04 -1.26 -0.26 135.00 140.37 3fic s PRO 39 Ca 0.22 -1.11 -0.12 0.00 0.04 0.00 0.00 61.00 60.03 3fic s PRO 39 Cb -0.16 -4.61 0.06 0.00 0.04 0.00 0.00 34.50 29.84 3fic s PRO 39 CO 0.09 -1.89 1.12 -0.48 0.04 0.00 0.00 177.00 175.88 3fic s LEU 40 N 3.93 2.62 0.81 -3.56 2.34 -1.26 -5.00 118.68 118.57 3fic s LEU 40 Ca 0.30 1.10 -0.15 0.00 0.06 0.00 0.00 54.13 55.44 3fic s LEU 40 Cb -0.10 -3.72 -0.02 0.00 -0.56 0.00 0.00 46.19 41.79 3fic s LEU 40 CO 0.01 -1.79 0.42 -0.81 -1.06 0.00 0.00 176.35 173.13 3fic n PRO 41 N -3.29 0.07 -3.82 1.48 -0.04 -1.26 -4.58 135.00 123.56 3fic n PRO 41 Ca 0.07 0.07 -0.36 0.00 -0.04 0.00 0.00 63.50 63.24 3fic n PRO 41 Cb 0.58 -1.80 -0.07 0.00 -0.04 0.00 0.00 33.50 32.17 3fic n PRO 41 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 3fic s THR 42 N -2.09 5.40 -0.09 0.52 2.01 -1.26 -4.46 115.64 115.68 3fic s THR 42 Ca 0.61 0.18 -0.15 0.00 0.31 0.00 0.00 61.69 62.64 3fic s THR 42 Cb -0.29 -3.41 -0.05 0.00 0.01 0.00 0.00 72.50 68.76 3fic s THR 42 CO 0.62 0.52 0.39 -0.13 -0.69 0.00 0.00 174.62 175.34 3fic s ARG 43 N -0.27 4.14 0.10 4.92 1.81 -1.20 -4.99 118.95 123.46 3fic s ARG 43 Ca 0.11 0.33 0.10 0.00 -1.72 0.00 0.00 55.73 54.54 3fic s ARG 43 Cb -0.11 -3.35 -0.04 0.00 -0.45 0.00 0.00 34.95 31.00 3fic s ARG 43 CO 0.01 0.39 -0.25 0.08 -0.68 0.00 0.00 175.30 174.84 3fic s VAL 44 N -0.07 2.32 -0.42 3.52 1.01 -1.26 -1.96 120.40 123.54 3fic s VAL 44 Ca 0.22 -1.58 0.02 0.00 0.00 0.00 0.00 61.98 60.64 3fic s VAL 44 Cb -0.15 -1.99 0.11 0.00 0.00 0.00 0.00 36.38 34.35 3fic s VAL 44 CO 0.09 0.19 0.17 -0.13 0.00 0.00 0.00 175.10 175.42 3fic s ARG 45 N -1.78 1.81 -0.07 2.72 1.81 -1.21 -4.97 118.95 117.25 3fic s ARG 45 Ca 0.14 -2.09 -0.03 0.00 -1.72 0.00 0.00 55.73 52.03 3fic s ARG 45 Cb -0.10 -3.37 -0.04 0.00 -0.45 0.00 0.00 34.95 30.99 3fic s ARG 45 CO 0.05 -1.03 0.06 1.03 -0.68 0.00 0.00 175.30 174.74 3fic s ARG 46 N 0.61 3.14 -0.18 3.54 0.52 -1.26 -1.22 118.95 124.11 3fic s ARG 46 Ca 0.12 -0.35 -0.10 0.00 -0.52 0.00 0.00 55.73 54.89 3fic s ARG 46 Cb -0.21 -2.93 0.06 0.00 0.52 0.00 0.00 34.95 32.39 3fic s ARG 46 CO -0.05 0.71 0.43 -0.59 0.02 0.00 0.00 175.30 175.82 3fic s PHE 47 N -1.01 -0.63 0.19 -0.53 -0.12 -0.94 -5.01 117.98 109.92 3fic s PHE 47 Ca 0.16 1.33 0.00 0.00 -0.05 0.00 0.00 56.93 58.38 3fic s PHE 47 Cb -0.12 0.29 -0.04 0.00 -0.63 0.00 0.00 43.02 42.52 3fic s PHE 47 CO 0.06 -0.35 0.36 0.99 -0.05 0.00 0.00 175.22 176.23 3fic s THR 48 N 1.41 5.24 -0.01 -4.49 2.01 -1.26 -1.00 115.64 117.53 3fic s THR 48 Ca -0.10 -0.46 -0.11 0.00 0.31 0.00 0.00 61.69 61.33 3fic s THR 48 Cb -0.08 -3.74 0.01 0.00 0.01 0.00 0.00 72.50 68.71 3fic s THR 48 CO -0.13 -0.15 0.24 -0.69 -0.69 0.00 0.00 174.62 173.20 3fic s VAL 49 N -1.83 0.07 -0.56 3.82 1.01 -0.02 -4.90 120.40 117.99 3fic s VAL 49 Ca 0.37 -0.55 -0.25 0.00 0.00 0.00 0.00 61.98 61.55 3fic s VAL 49 Cb -0.11 -0.53 0.04 0.00 0.00 0.00 0.00 36.38 35.78 3fic s VAL 49 CO 0.29 -0.30 1.01 -0.63 0.00 0.00 0.00 175.10 175.47 3fic s ILE 50 N -1.30 4.28 0.01 2.22 -1.09 -1.26 0.18 121.20 124.24 3fic s ILE 50 Ca -0.14 0.47 -0.01 0.00 -2.23 0.00 0.00 60.65 58.75 3fic s ILE 50 Cb -0.06 -4.59 -0.00 0.00 -1.58 0.00 0.00 42.46 36.23 3fic s ILE 50 CO 0.03 -1.17 0.71 0.54 -1.23 0.00 0.00 174.94 173.82 3fic n ARG 51 N 7.74 -0.01 -1.24 2.79 1.74 -1.26 -4.47 116.66 121.94 3fic n ARG 51 Ca 0.04 0.71 -0.36 0.00 -0.77 0.00 0.00 57.85 57.47 3fic n ARG 51 Cb 0.48 -1.06 0.07 0.00 -1.02 0.00 0.00 32.46 30.93 3fic n ARG 51 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3fic n GLY 52 N -1.01 -1.45 1.17 -0.13 0.00 -1.26 -4.86 105.19 97.65 3fic n GLY 52 Ca 0.00 -0.40 0.05 0.00 0.00 0.00 0.00 46.02 45.67 3fic n GLY 52 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3fic n PRO 53 N -0.90 2.92 0.00 1.61 -0.04 -1.26 -4.76 135.00 132.57 3fic n PRO 53 Ca 0.10 -1.78 0.00 0.00 -0.04 0.00 0.00 63.50 61.78 3fic n PRO 53 Cb 0.50 -1.77 0.00 0.00 -0.04 0.00 0.00 33.50 32.19 3fic n PRO 53 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 3fic n PHE 54 N 0.50 0.00 -3.45 0.54 7.35 -1.26 -5.11 117.46 116.03 3fic n PHE 54 Ca 0.16 0.00 -0.20 0.00 -0.76 0.00 0.00 57.45 56.64 3fic n PHE 54 Cb 0.68 0.00 -0.11 0.00 0.35 0.00 0.00 39.48 40.39 3fic n PHE 54 CO 0.00 0.00 0.00 0.15 -0.76 0.00 0.00 176.76 176.15 3fic s LYS 55 N 0.00 0.27 -0.41 -4.13 1.02 -1.26 -4.99 119.74 110.25 3fic s LYS 55 Ca 0.00 -0.21 0.06 0.00 0.02 0.00 0.00 55.97 55.84 3fic s LYS 55 Cb 0.00 -0.86 0.32 0.00 -0.52 0.00 0.00 37.83 36.77 3fic s LYS 55 CO 0.00 -0.98 1.22 0.72 -0.92 0.00 0.00 175.35 175.39 3fic n HIS 56 N 5.30 -2.05 0.13 3.18 8.25 -1.26 -5.01 115.22 123.75 3fic n HIS 56 Ca -0.04 -1.66 0.01 0.00 -0.26 0.00 0.00 57.72 55.77 3fic n HIS 56 Cb 0.46 1.49 0.06 0.00 1.12 0.00 0.00 29.99 33.12 3fic n HIS 56 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 3fic n LYS 57 N 0.22 0.02 -3.10 -0.41 4.76 -1.26 -4.43 118.16 113.95 3fic n LYS 57 Ca -0.00 0.39 -0.19 0.00 -2.87 0.00 0.00 58.31 55.64 3fic n LYS 57 Cb 0.73 -2.17 0.03 0.00 -1.84 0.00 0.00 35.03 31.78 3fic n LYS 57 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 3fic s ASP 58 N -2.56 5.31 -0.82 4.39 1.01 -1.26 -4.48 116.67 118.26 3fic s ASP 58 Ca -0.00 -0.68 0.00 0.00 0.71 0.00 0.00 52.55 52.58 3fic s ASP 58 Cb 0.01 -0.16 0.00 0.00 1.01 0.00 0.00 42.92 43.77 3fic s ASP 58 CO 0.02 -1.04 0.00 -1.54 0.21 0.00 0.00 175.17 172.82 3fic n SER 59 N -2.00 -2.70 -3.37 0.27 3.41 -1.26 -4.79 113.62 103.18 3fic n SER 59 Ca 0.11 0.19 0.00 0.00 -0.26 0.00 0.00 58.87 58.91 3fic n SER 59 Cb 0.61 -2.44 0.00 0.00 -0.26 0.00 0.00 64.21 62.11 3fic n SER 59 CO 0.00 0.00 0.00 -2.11 -0.16 0.00 0.00 175.04 172.77 3fic n ARG 60 N -1.16 -0.57 -3.66 4.33 1.85 -1.26 -4.52 116.66 111.67 3fic n ARG 60 Ca -0.08 0.00 -0.07 0.00 -1.00 0.00 0.00 57.85 56.70 3fic n ARG 60 Cb 0.31 0.00 -0.08 0.00 -1.05 0.00 0.00 32.46 31.64 3fic n ARG 60 CO 0.00 0.00 0.00 -2.00 -0.01 0.00 0.00 177.63 175.62 3fic s GLU 61 N -1.65 0.59 0.14 2.89 2.12 0.49 -4.66 118.70 118.61 3fic s GLU 61 Ca 0.00 1.12 0.09 0.00 0.36 0.00 0.00 54.97 56.54 3fic s GLU 61 Cb 0.00 0.17 -0.04 0.00 0.26 0.00 0.00 34.13 34.52 3fic s GLU 61 CO 0.00 -0.16 -0.18 -3.38 -0.54 0.00 0.00 175.26 171.00 3fic s HIS 62 N 1.74 2.50 0.54 5.30 -3.43 -1.26 -0.84 115.29 119.84 3fic s HIS 62 Ca -0.09 -0.28 0.02 0.00 -0.80 0.00 0.00 55.06 53.91 3fic s HIS 62 Cb -0.07 -1.30 0.01 0.00 -1.43 0.00 0.00 32.58 29.80 3fic s HIS 62 CO -0.17 0.42 0.15 -0.06 -2.00 0.00 0.00 174.74 173.08 3fic s PHE 63 N -1.32 1.68 0.15 0.38 0.08 -0.17 -4.95 117.98 113.83 3fic s PHE 63 Ca 0.19 -0.95 0.02 0.00 0.12 0.00 0.00 56.93 56.31 3fic s PHE 63 Cb -0.10 -1.70 -0.05 0.00 -0.57 0.00 0.00 43.02 40.61 3fic s PHE 63 CO 0.11 -0.06 -0.04 -1.83 -0.10 0.00 0.00 175.22 173.30 3fic s GLU 64 N -4.05 1.05 -0.42 0.44 -1.05 -1.26 -2.23 118.70 111.19 3fic s GLU 64 Ca 0.13 -1.48 0.07 0.00 -0.15 0.00 0.00 54.97 53.53 3fic s GLU 64 Cb -0.01 -0.36 0.23 0.00 -0.44 0.00 0.00 34.13 33.55 3fic s GLU 64 CO 0.08 -0.06 0.58 -0.11 0.95 0.00 0.00 175.26 176.70 3fic n LEU 65 N -0.20 -0.88 -4.62 1.83 7.94 -0.36 -4.96 117.00 115.75 3fic n LEU 65 Ca -0.09 -4.21 -0.43 0.00 -1.11 0.00 0.00 56.01 50.18 3fic n LEU 65 Cb 0.62 0.67 -0.03 0.00 0.53 0.00 0.00 43.42 45.21 3fic n LEU 65 CO 0.33 2.00 1.70 -0.13 -1.11 0.00 0.00 177.39 180.18 3fic s ARG 66 N -0.39 3.57 -0.84 1.96 0.52 -1.26 -3.33 118.95 119.18 3fic s ARG 66 Ca 0.34 2.18 -0.14 0.00 -0.52 0.00 0.00 55.73 57.59 3fic s ARG 66 Cb 0.14 -4.26 0.22 0.00 0.52 0.00 0.00 34.95 31.57 3fic s ARG 66 CO -0.15 -1.60 0.78 0.99 0.02 0.00 0.00 175.30 175.34 3fic s THR 67 N 6.57 5.60 0.28 0.02 2.01 -0.83 -4.64 115.64 124.65 3fic s THR 67 Ca 0.93 -2.47 -0.29 0.00 0.31 0.00 0.00 61.69 60.16 3fic s THR 67 Cb -0.35 -4.48 -0.10 0.00 0.01 0.00 0.00 72.50 67.58 3fic s THR 67 CO 0.37 -1.04 1.13 -1.00 -0.69 0.00 0.00 174.62 173.39 3fic s HIS 68 N 0.19 3.50 0.24 4.92 3.76 -1.24 -3.24 115.29 123.42 3fic s HIS 68 Ca 0.19 1.64 0.11 0.00 -0.15 0.00 0.00 55.06 56.85 3fic s HIS 68 Cb -0.10 -3.35 -0.05 0.00 1.11 0.00 0.00 32.58 30.20 3fic s HIS 68 CO -0.09 -0.77 -0.21 -0.80 -0.85 0.00 0.00 174.74 172.02 3fic s ASN 69 N -0.74 3.44 -0.26 1.40 0.01 -1.26 -3.64 114.94 113.88 3fic s ASN 69 Ca 0.46 -0.96 -0.16 0.00 -0.71 0.00 0.00 52.86 51.48 3fic s ASN 69 Cb -0.33 -0.27 0.08 0.00 0.41 0.00 0.00 41.25 41.14 3fic s ASN 69 CO 0.42 0.05 0.66 -0.60 -1.51 0.00 0.00 177.10 176.13 3fic s ARG 70 N -3.18 0.69 0.16 -0.60 3.52 -0.09 -4.07 118.95 115.39 3fic s ARG 70 Ca 0.26 1.14 0.10 0.00 -0.13 0.00 0.00 55.73 57.09 3fic s ARG 70 Cb -0.06 0.16 -0.04 0.00 -1.56 0.00 0.00 34.95 33.45 3fic s ARG 70 CO 0.12 -0.14 -0.17 -1.17 -0.81 0.00 0.00 175.30 173.13 3fic s LEU 71 N 1.42 2.71 -0.07 -0.88 2.96 0.64 -1.50 118.68 123.95 3fic s LEU 71 Ca -0.08 -0.67 -0.31 0.00 -0.22 0.00 0.00 54.13 52.85 3fic s LEU 71 Cb -0.05 -1.46 0.07 0.00 0.50 0.00 0.00 46.19 45.25 3fic s LEU 71 CO -0.16 0.13 0.71 -0.69 -1.32 0.00 0.00 176.35 175.02 3fic s VAL 72 N -1.51 0.00 -0.17 1.68 1.01 -1.23 0.12 120.40 120.30 3fic s VAL 72 Ca 0.21 0.00 -0.14 0.00 0.00 0.00 0.00 61.98 62.05 3fic s VAL 72 Cb -0.09 -1.00 0.05 0.00 0.00 0.00 0.00 36.38 35.34 3fic s VAL 72 CO 0.12 0.00 0.43 -1.81 0.00 0.00 0.00 175.10 173.84 3fic s ASP 73 N -1.09 -0.47 0.08 3.32 1.01 -1.24 -3.35 116.67 114.92 3fic s ASP 73 Ca -0.10 0.89 -0.23 0.00 0.71 0.00 0.00 52.55 53.82 3fic s ASP 73 Cb -0.00 0.87 -0.06 0.00 1.01 0.00 0.00 42.92 44.73 3fic s ASP 73 CO 0.09 -0.16 0.70 0.27 0.21 0.00 0.00 175.17 176.27 3fic s ILE 74 N 0.50 4.66 -0.02 0.77 -0.00 -1.24 -1.55 121.20 124.32 3fic s ILE 74 Ca -0.02 1.49 -0.17 0.00 -0.00 0.00 0.00 60.65 61.96 3fic s ILE 74 Cb -0.04 -4.04 -0.09 0.00 -0.00 0.00 0.00 42.46 38.28 3fic s ILE 74 CO -0.03 0.46 0.71 0.16 -0.00 0.00 0.00 174.94 176.25 3fic h ILE 75 N 3.77 0.00 -3.31 8.37 3.07 -1.82 0.24 117.51 127.83 3fic h ILE 75 Ca -0.46 -0.51 -0.64 0.00 1.55 0.00 0.00 64.86 64.79 3fic h ILE 75 Cb 1.21 0.00 -0.24 0.00 -0.27 0.00 0.00 36.82 37.52 3fic h ILE 75 CO 0.68 0.00 -0.71 0.21 -1.05 0.00 0.00 178.15 177.28 3fic s ASN 76 N -4.71 4.46 -0.97 2.16 2.47 -1.26 -1.48 114.94 115.61 3fic s ASN 76 Ca -0.09 -0.21 -0.24 0.00 0.42 0.00 0.00 52.86 52.74 3fic s ASN 76 Cb 0.01 -1.71 0.03 0.00 -1.45 0.00 0.00 41.25 38.13 3fic s ASN 76 CO 0.26 0.17 1.56 -2.16 -3.72 0.00 0.00 177.10 173.21 3fic s PRO 77 N 0.35 3.31 0.31 0.43 0.04 -1.26 -4.56 135.00 133.62 3fic s PRO 77 Ca -0.07 -0.85 -0.22 0.00 0.04 0.00 0.00 61.00 59.90 3fic s PRO 77 Cb -0.15 -5.21 -0.09 0.00 0.04 0.00 0.00 34.50 29.09 3fic s PRO 77 CO 0.04 -2.48 0.85 -0.80 0.04 0.00 0.00 177.00 174.64 3fic s ASN 78 N 5.67 7.11 0.56 6.66 0.01 -1.26 -4.91 114.94 128.78 3fic s ASN 78 Ca 0.51 1.61 0.33 0.00 -0.71 0.00 0.00 52.86 54.60 3fic s ASN 78 Cb -0.02 -2.49 1.61 0.00 0.41 0.00 0.00 41.25 40.76 3fic s ASN 78 CO -0.06 -0.09 2.10 0.03 -1.51 0.00 0.00 177.10 177.57 3fic h ARG 79 N 2.95 0.00 0.43 -0.60 2.47 -1.94 -2.82 114.38 114.87 3fic h ARG 79 Ca -0.48 0.00 -0.02 0.00 -1.26 0.00 0.00 59.98 58.22 3fic h ARG 79 Cb 1.19 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.51 3fic h ARG 79 CO 0.64 0.07 -0.21 -0.22 0.56 0.00 0.00 179.97 180.81 3fic h LYS 80 N 0.00 -0.56 -0.71 0.04 1.63 -1.91 -3.17 116.57 111.89 3fic h LYS 80 Ca -0.00 0.04 0.14 0.00 -0.85 0.00 0.00 60.65 59.98 3fic h LYS 80 Cb 0.34 0.13 -0.13 0.00 -0.60 0.00 0.00 32.23 31.96 3fic h LYS 80 CO 0.01 -0.37 -0.17 1.79 -3.45 0.00 0.00 179.45 177.26 3fic h THR 81 N -0.59 0.30 -0.92 1.00 1.35 -1.59 -2.36 112.91 110.09 3fic h THR 81 Ca -0.06 -0.00 0.12 0.00 -0.55 0.00 0.00 66.41 65.92 3fic h THR 81 Cb 0.44 0.29 -0.13 0.00 -1.73 0.00 0.00 68.15 67.02 3fic h THR 81 CO 0.10 0.00 -0.43 -0.38 -0.25 0.00 0.00 175.52 174.56 3fic n ILE 82 N -5.46 -0.54 -0.13 6.82 2.08 -1.08 -0.10 119.36 120.94 3fic n ILE 82 Ca 0.09 2.19 -0.06 0.00 0.56 0.00 0.00 62.75 65.54 3fic n ILE 82 Cb 0.37 -2.83 0.01 0.00 -0.75 0.00 0.00 39.64 36.44 3fic n ILE 82 CO 0.00 0.00 0.00 -0.08 0.56 0.00 0.00 176.55 177.03 3fic h GLU 83 N 0.00 -0.16 0.00 0.38 4.81 -1.43 -1.18 114.58 117.00 3fic h GLU 83 Ca 0.26 0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.50 3fic h GLU 83 Cb 0.49 0.04 0.00 0.00 0.63 0.00 0.00 28.75 29.90 3fic h GLU 83 CO -0.90 -0.11 0.00 1.04 -0.73 0.00 0.00 179.01 178.31 3fic n GLN 84 N -5.41 0.00 0.00 1.92 3.00 0.86 -2.20 117.38 115.55 3fic n GLN 84 Ca 0.03 0.09 0.00 0.00 -0.01 0.00 0.00 57.00 57.11 3fic n GLN 84 Cb 0.32 -0.87 0.00 0.00 0.00 0.00 0.00 30.24 29.69 3fic n GLN 84 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.06 178.34 3fic n LEU 85 N -0.46 0.00 -0.38 1.08 4.77 -0.76 0.12 117.00 121.37 3fic n LEU 85 Ca 0.00 0.77 0.30 0.00 -0.03 0.00 0.00 56.01 57.05 3fic n LEU 85 Cb 0.00 -0.37 0.60 0.00 -2.33 0.00 0.00 43.42 41.32 3fic n LEU 85 CO 0.00 -0.37 1.24 -0.03 -1.33 0.00 0.00 177.39 176.90 3fic h MET 86 N 0.00 0.22 0.00 3.23 4.05 -1.34 -1.42 114.93 119.66 3fic h MET 86 Ca 0.00 -0.01 0.00 0.00 -0.28 0.00 0.00 59.70 59.41 3fic h MET 86 Cb 0.00 -0.05 0.00 0.00 -0.80 0.00 0.00 31.60 30.75 3fic h MET 86 CO 0.00 0.14 -1.04 0.25 0.23 0.00 0.00 176.91 176.49 3fic n THR 87 N -4.59 0.00 -1.77 -0.77 -2.24 -0.29 -4.56 114.28 100.06 3fic n THR 87 Ca 0.30 -0.18 -0.33 0.00 -2.27 0.00 0.00 64.05 61.57 3fic n THR 87 Cb 1.16 0.77 -0.03 0.00 -2.10 0.00 0.00 70.33 70.13 3fic n THR 87 CO 0.00 0.00 0.00 -0.11 -0.57 0.00 0.00 175.07 174.39 3fic n LEU 88 N -1.57 7.19 -4.54 3.22 7.94 0.32 -4.89 117.00 124.67 3fic n LEU 88 Ca 0.02 -4.50 -0.41 0.00 -1.11 0.00 0.00 56.01 50.00 3fic n LEU 88 Cb 0.31 -1.27 -0.03 0.00 0.53 0.00 0.00 43.42 42.95 3fic n LEU 88 CO 0.34 1.88 1.21 -1.81 -1.11 0.00 0.00 177.39 177.90 3fic s ASP 89 N 0.20 6.29 -0.43 1.96 1.01 -1.26 -4.86 116.67 119.58 3fic s ASP 89 Ca 0.56 -0.91 0.10 0.00 0.71 0.00 0.00 52.55 53.01 3fic s ASP 89 Cb 0.30 -2.54 0.38 0.00 1.01 0.00 0.00 42.92 42.07 3fic s ASP 89 CO -0.18 -1.65 0.88 -0.11 0.21 0.00 0.00 175.17 174.32 3fic n LEU 90 N 8.88 2.48 -4.38 1.23 7.94 -1.26 -5.06 117.00 126.83 3fic n LEU 90 Ca 0.13 -5.00 -0.43 0.00 -1.11 0.00 0.00 56.01 49.60 3fic n LEU 90 Cb 0.49 0.15 -0.09 0.00 0.53 0.00 0.00 43.42 44.51 3fic n LEU 90 CO 0.68 2.17 -0.03 -2.16 -1.11 0.00 0.00 177.39 176.94 3fic s PRO 91 N -2.99 2.89 0.08 1.96 0.04 -1.26 -4.97 135.00 130.74 3fic s PRO 91 Ca 0.41 -1.29 -0.34 0.00 0.04 0.00 0.00 61.00 59.83 3fic s PRO 91 Cb 0.36 -4.00 -0.17 0.00 0.04 0.00 0.00 34.50 30.72 3fic s PRO 91 CO -0.09 -0.94 1.60 0.00 0.04 0.00 0.00 177.00 177.61 3fic h THR 92 N 5.80 0.19 0.00 1.26 1.03 -2.01 -3.35 112.91 115.83 3fic h THR 92 Ca -0.27 0.00 -0.01 0.00 -0.01 0.00 0.00 66.41 66.12 3fic h THR 92 Cb 1.11 0.19 -0.02 0.00 -1.07 0.00 0.00 68.15 68.35 3fic h THR 92 CO 0.81 0.00 -0.40 0.61 -0.01 0.00 0.00 175.52 176.53 3fic n GLY 93 N -1.53 1.79 3.97 2.99 0.00 -1.26 -5.09 105.19 106.06 3fic n GLY 93 Ca -0.13 -0.38 -0.22 0.00 0.00 0.00 0.00 46.02 45.30 3fic n GLY 93 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3fic s VAL 94 N -0.83 3.04 -0.05 1.61 1.01 -1.26 -4.48 120.40 119.43 3fic s VAL 94 Ca 0.11 -0.60 -0.03 0.00 0.00 0.00 0.00 61.98 61.46 3fic s VAL 94 Cb 0.10 -3.14 0.02 0.00 0.00 0.00 0.00 36.38 33.37 3fic s VAL 94 CO -0.00 -0.10 0.12 -0.70 0.00 0.00 0.00 175.10 174.42 3fic s GLU 95 N -4.72 0.12 -0.03 2.72 2.56 -1.26 -4.88 118.70 113.21 3fic s GLU 95 Ca 0.55 0.21 0.01 0.00 0.00 0.00 0.00 54.97 55.74 3fic s GLU 95 Cb -0.10 -0.01 0.01 0.00 2.00 0.00 0.00 34.13 36.03 3fic s GLU 95 CO 0.38 -0.06 -0.04 0.96 -0.56 0.00 0.00 175.26 175.95 3fic s ILE 96 N 0.38 0.40 -0.01 -3.70 -0.00 -1.26 -2.30 121.20 114.70 3fic s ILE 96 Ca -0.03 -0.11 0.05 0.00 -0.00 0.00 0.00 60.65 60.56 3fic s ILE 96 Cb -0.04 -0.41 -0.03 0.00 -0.00 0.00 0.00 42.46 41.98 3fic s ILE 96 CO -0.02 0.16 -0.15 -1.61 -0.00 0.00 0.00 174.94 173.33 3fic s GLU 97 N 0.55 2.36 -0.02 0.37 0.41 -1.15 -4.90 118.70 116.32 3fic s GLU 97 Ca -0.06 -0.80 0.04 0.00 -0.41 0.00 0.00 54.97 53.74 3fic s GLU 97 Cb -0.10 -2.33 -0.01 0.00 -1.78 0.00 0.00 34.13 29.92 3fic s GLU 97 CO -0.00 0.59 -0.15 0.42 -0.49 0.00 0.00 175.26 175.63 3fic s ILE 98 N -0.83 1.20 0.00 -1.63 1.09 -1.26 0.13 121.20 119.89 3fic s ILE 98 Ca 0.13 -0.62 0.00 0.00 -1.10 0.00 0.00 60.65 59.06 3fic s ILE 98 Cb -0.11 -1.02 0.00 0.00 -1.06 0.00 0.00 42.46 40.28 3fic s ILE 98 CO 0.03 0.35 0.00 0.29 -0.10 0.00 0.00 174.94 175.51 3fic n LYS 99 N 2.93 0.00 -3.10 2.79 4.76 0.29 -4.93 118.16 120.90 3fic n LYS 99 Ca -0.16 0.00 -0.12 0.00 -2.87 0.00 0.00 58.31 55.16 3fic n LYS 99 Cb 0.54 0.00 -0.04 0.00 -1.84 0.00 0.00 35.03 33.69 3fic n LYS 99 CO 0.00 0.00 0.00 0.95 -1.37 0.00 0.00 177.40 176.98 3fic s THR 100 N -2.02 -0.50 0.00 -0.18 -4.23 -1.26 0.15 115.64 107.60 3fic s THR 100 Ca 0.00 -1.34 0.00 0.00 -1.18 0.00 0.00 61.69 59.17 3fic s THR 100 Cb 0.00 -0.47 0.00 0.00 1.34 0.00 0.00 72.50 73.37 3fic s THR 100 CO 0.00 -0.46 0.00 1.33 -0.54 0.00 0.00 174.62 174.95