#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3fic n PHE 6 N 0.00 0.00 -0.01 2.11 3.01 -1.26 -5.00 117.46 116.31 3fic n PHE 6 Ca 0.00 0.00 -0.11 0.00 1.01 0.00 0.00 57.45 58.35 3fic n PHE 6 Cb 0.00 0.00 -0.09 0.00 -0.01 0.00 0.00 39.48 39.38 3fic n PHE 6 CO 0.00 0.00 0.00 1.49 1.01 0.00 0.00 176.76 179.26 3fic h GLU 7 N 0.00 -0.09 -5.17 -1.08 4.57 -1.47 -3.48 114.58 107.87 3fic h GLU 7 Ca 0.00 0.01 0.00 0.00 -1.18 0.00 0.00 59.36 58.19 3fic h GLU 7 Cb 0.00 0.02 0.00 0.00 -0.16 0.00 0.00 28.75 28.61 3fic h GLU 7 CO 0.00 0.47 -0.27 -1.91 -1.18 0.00 0.00 179.01 176.12 3fic n GLU 8 N -4.79 -1.82 -4.95 1.92 2.13 -1.22 -4.96 120.64 106.95 3fic n GLU 8 Ca -0.07 1.78 -0.33 0.00 0.66 0.00 0.00 57.16 59.20 3fic n GLU 8 Cb 0.30 -5.45 -0.16 0.00 0.27 0.00 0.00 31.44 26.40 3fic n GLU 8 CO 0.00 0.00 0.00 0.21 -0.41 0.00 0.00 177.13 176.93 3fic s LYS 9 N -2.71 3.21 -0.08 5.31 2.20 0.22 -4.94 119.74 122.95 3fic s LYS 9 Ca 0.14 -0.78 -0.23 0.00 -0.36 0.00 0.00 55.97 54.73 3fic s LYS 9 Cb -0.04 -2.48 -0.03 0.00 -1.51 0.00 0.00 37.83 33.77 3fic s LYS 9 CO 0.71 0.18 0.70 0.00 -0.36 0.00 0.00 175.35 176.58 3fic s MET 10 N 0.40 4.41 0.00 4.03 0.23 -1.26 -0.53 119.30 126.58 3fic s MET 10 Ca -0.14 0.86 0.00 0.00 -1.03 0.00 0.00 55.69 55.38 3fic s MET 10 Cb -0.17 -3.47 0.00 0.00 -1.53 0.00 0.00 34.83 29.67 3fic s MET 10 CO 0.06 0.02 0.60 -0.89 -2.03 0.00 0.00 175.02 172.78 3fic n ILE 11 N 3.91 0.00 -4.15 3.16 2.08 0.44 -4.92 119.36 119.88 3fic n ILE 11 Ca -0.01 1.09 -0.11 0.00 0.56 0.00 0.00 62.75 64.27 3fic n ILE 11 Cb 0.51 -2.06 -0.10 0.00 -0.75 0.00 0.00 39.64 37.24 3fic n ILE 11 CO 0.00 0.00 0.00 -1.48 0.56 0.00 0.00 176.55 175.63 3fic s LEU 12 N -1.70 2.45 -0.02 1.39 -0.00 -1.18 -4.97 118.68 114.64 3fic s LEU 12 Ca 0.00 -0.90 0.03 0.00 -0.00 0.00 0.00 54.13 53.26 3fic s LEU 12 Cb 0.00 -0.11 -0.00 0.00 -0.00 0.00 0.00 46.19 46.08 3fic s LEU 12 CO 0.00 -0.40 -0.11 -0.63 -0.00 0.00 0.00 176.35 175.21 3fic s ILE 13 N -3.10 0.94 0.23 1.48 1.09 -1.26 -0.38 121.20 120.19 3fic s ILE 13 Ca 0.07 -0.46 -0.02 0.00 -1.10 0.00 0.00 60.65 59.14 3fic s ILE 13 Cb 0.02 -0.82 -0.03 0.00 -1.06 0.00 0.00 42.46 40.57 3fic s ILE 13 CO -0.03 0.28 0.22 0.00 -0.10 0.00 0.00 174.94 175.30 3fic s ARG 14 N 0.05 1.34 -0.45 2.79 1.70 0.24 -4.98 118.95 119.64 3fic s ARG 14 Ca -0.01 -1.60 0.03 0.00 -0.47 0.00 0.00 55.73 53.67 3fic s ARG 14 Cb -0.08 0.32 0.12 0.00 -0.57 0.00 0.00 34.95 34.74 3fic s ARG 14 CO 0.01 -0.47 0.21 0.50 -1.08 0.00 0.00 175.30 174.46 3fic s ARG 15 N -4.03 1.61 1.10 3.89 3.52 -1.26 -1.88 118.95 121.91 3fic s ARG 15 Ca 0.36 -2.22 -0.17 0.00 -0.13 0.00 0.00 55.73 53.56 3fic s ARG 15 Cb 0.05 -2.92 0.25 0.00 -1.56 0.00 0.00 34.95 30.76 3fic s ARG 15 CO 0.13 -1.09 1.17 0.95 -0.81 0.00 0.00 175.30 175.65 3fic s THR 16 N 0.21 1.76 -0.00 4.11 -4.23 -1.03 -4.91 115.64 111.54 3fic s THR 16 Ca 0.16 0.00 -0.21 0.00 -1.18 0.00 0.00 61.69 60.45 3fic s THR 16 Cb -0.24 -2.65 0.04 0.00 1.34 0.00 0.00 72.50 71.00 3fic s THR 16 CO -0.03 0.00 0.47 0.00 -0.54 0.00 0.00 174.62 174.52 3fic s ALA 17 N -3.27 -1.20 0.09 3.99 0.00 -1.26 -3.29 121.76 116.82 3fic s ALA 17 Ca 0.71 0.65 0.03 0.00 0.00 0.00 0.00 51.96 53.35 3fic s ALA 17 Cb -0.09 0.16 -0.03 0.00 0.00 0.00 0.00 23.12 23.15 3fic s ALA 17 CO 0.55 -0.37 -0.10 -0.98 0.00 0.00 0.00 175.76 174.86 3fic s ARG 18 N -1.70 0.80 0.10 0.00 1.70 0.08 -4.97 118.95 114.96 3fic s ARG 18 Ca -0.10 -1.10 0.02 0.00 -0.47 0.00 0.00 55.73 54.08 3fic s ARG 18 Cb -0.02 -0.51 -0.04 0.00 -0.57 0.00 0.00 34.95 33.81 3fic s ARG 18 CO 0.04 0.08 0.20 -1.64 -1.08 0.00 0.00 175.30 172.89 3fic s MET 19 N -2.62 3.28 -0.24 3.89 -1.94 -1.26 -0.00 119.30 120.41 3fic s MET 19 Ca 0.03 -0.58 -0.30 0.00 -1.71 0.00 0.00 55.69 53.14 3fic s MET 19 Cb -0.04 -2.92 0.17 0.00 2.01 0.00 0.00 34.83 34.05 3fic s MET 19 CO -0.00 0.56 1.23 -1.14 -0.01 0.00 0.00 175.02 175.67 3fic s GLN 20 N -2.76 0.25 0.05 2.03 -0.44 -0.72 -4.91 119.66 113.16 3fic s GLN 20 Ca 0.33 0.06 -0.30 0.00 -2.50 0.00 0.00 55.36 52.95 3fic s GLN 20 Cb -0.12 0.12 -0.16 0.00 -1.64 0.00 0.00 33.01 31.21 3fic s GLN 20 CO 0.27 -0.08 0.74 0.00 0.50 0.00 0.00 175.29 176.71 3fic n ALA 21 N 0.58 -2.92 0.00 1.58 0.00 -1.26 -0.01 120.51 118.48 3fic n ALA 21 Ca -0.04 0.45 0.00 0.00 0.00 0.00 0.00 53.44 53.86 3fic n ALA 21 Cb 0.59 -1.41 0.00 0.00 0.00 0.00 0.00 19.45 18.63 3fic n ALA 21 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3fic n GLY 22 N 1.37 2.58 0.00 0.00 0.00 -1.26 -4.92 105.19 102.96 3fic n GLY 22 Ca 0.16 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 46.15 3fic n GLY 22 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3fic n GLY 23 N 0.00 -1.79 3.88 -0.02 0.00 0.98 -5.13 105.19 103.11 3fic n GLY 23 Ca 0.00 -1.12 -0.35 0.00 0.00 0.00 0.00 46.02 44.55 3fic n GLY 23 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3fic s ARG 24 N -1.64 3.62 -0.00 1.61 1.70 -1.26 -1.76 118.95 121.22 3fic s ARG 24 Ca 0.00 -0.02 0.05 0.00 -0.47 0.00 0.00 55.73 55.29 3fic s ARG 24 Cb 0.00 -3.07 -0.03 0.00 -0.57 0.00 0.00 34.95 31.28 3fic s ARG 24 CO 0.00 0.64 -0.14 0.50 -1.08 0.00 0.00 175.30 175.22 3fic s ARG 25 N -1.74 2.35 0.47 3.89 3.52 1.00 -4.93 118.95 123.52 3fic s ARG 25 Ca 0.28 -0.81 0.07 0.00 -0.13 0.00 0.00 55.73 55.14 3fic s ARG 25 Cb -0.13 -2.33 0.01 0.00 -1.56 0.00 0.00 34.95 30.94 3fic s ARG 25 CO 0.16 0.59 0.42 -0.06 -0.81 0.00 0.00 175.30 175.60 3fic s PHE 26 N -0.86 2.23 0.26 5.12 0.40 -1.26 -0.74 117.98 123.13 3fic s PHE 26 Ca 0.14 -0.63 -0.21 0.00 -0.60 0.00 0.00 56.93 55.62 3fic s PHE 26 Cb -0.11 -2.09 0.03 0.00 0.51 0.00 0.00 43.02 41.36 3fic s PHE 26 CO 0.04 -0.33 0.73 0.50 0.70 0.00 0.00 175.22 176.86 3fic s ARG 27 N -4.22 1.72 -0.02 0.44 3.52 -1.21 -4.84 118.95 114.34 3fic s ARG 27 Ca 0.45 -0.94 0.01 0.00 -0.13 0.00 0.00 55.73 55.12 3fic s ARG 27 Cb -0.03 0.60 0.01 0.00 -1.56 0.00 0.00 34.95 33.97 3fic s ARG 27 CO 0.27 -0.79 -0.04 -0.06 -0.81 0.00 0.00 175.30 173.87 3fic s PHE 28 N -3.87 0.53 -0.17 5.12 0.40 -0.78 -2.48 117.98 116.73 3fic s PHE 28 Ca 0.10 -0.11 -0.05 0.00 -0.60 0.00 0.00 56.93 56.28 3fic s PHE 28 Cb -0.05 -0.43 -0.03 0.00 0.51 0.00 0.00 43.02 43.02 3fic s PHE 28 CO 0.06 -0.08 -0.01 0.20 0.70 0.00 0.00 175.22 176.09 3fic s GLY 29 N 0.36 1.75 -0.09 4.36 0.00 -0.79 -1.62 107.32 111.29 3fic s GLY 29 Ca -0.04 -0.86 0.03 0.00 0.00 0.00 0.00 44.72 43.85 3fic s GLY 29 CO -0.00 0.04 -0.18 0.00 0.00 0.00 0.00 173.10 172.96 3fic s ALA 30 N 0.55 1.75 -0.26 3.20 0.00 0.40 -0.59 121.76 126.81 3fic s ALA 30 Ca -0.01 -0.72 -0.05 0.00 0.00 0.00 0.00 51.96 51.17 3fic s ALA 30 Cb -0.14 -0.72 -0.00 0.00 0.00 0.00 0.00 23.12 22.25 3fic s ALA 30 CO 0.02 0.16 0.02 -1.17 0.00 0.00 0.00 175.76 174.79 3fic s LEU 31 N 0.57 3.37 0.13 0.00 0.20 0.49 0.27 118.68 123.71 3fic s LEU 31 Ca -0.15 -0.52 0.10 0.00 0.69 0.00 0.00 54.13 54.24 3fic s LEU 31 Cb -0.17 -1.82 -0.04 0.00 -0.43 0.00 0.00 46.19 43.74 3fic s LEU 31 CO 0.05 -0.10 -0.23 -0.69 -0.29 0.00 0.00 176.35 175.09 3fic s VAL 32 N 1.49 2.00 -0.06 1.68 1.01 0.13 0.17 120.40 126.82 3fic s VAL 32 Ca 0.04 -1.72 0.04 0.00 0.00 0.00 0.00 61.98 60.33 3fic s VAL 32 Cb -0.16 -1.82 -0.02 0.00 0.00 0.00 0.00 36.38 34.38 3fic s VAL 32 CO -0.00 -0.04 -0.15 -0.69 0.00 0.00 0.00 175.10 174.21 3fic s VAL 33 N -1.29 2.95 -0.16 2.92 1.01 0.32 -1.10 120.40 125.04 3fic s VAL 33 Ca 0.12 -0.76 -0.04 0.00 0.00 0.00 0.00 61.98 61.30 3fic s VAL 33 Cb -0.09 -2.15 0.06 0.00 0.00 0.00 0.00 36.38 34.19 3fic s VAL 33 CO 0.06 0.58 0.07 -0.69 0.00 0.00 0.00 175.10 175.13 3fic s VAL 34 N -0.60 0.04 0.05 2.92 1.01 0.01 -0.61 120.40 123.22 3fic s VAL 34 Ca 0.09 -0.20 0.02 0.00 0.00 0.00 0.00 61.98 61.89 3fic s VAL 34 Cb -0.11 -0.64 -0.02 0.00 0.00 0.00 0.00 36.38 35.61 3fic s VAL 34 CO 0.01 -0.22 -0.08 -0.83 0.00 0.00 0.00 175.10 173.97 3fic s GLY 35 N 2.08 0.55 -0.10 4.51 0.00 -1.25 0.40 107.32 113.50 3fic s GLY 35 Ca 0.02 -0.80 -0.25 0.00 0.00 0.00 0.00 44.72 43.68 3fic s GLY 35 CO -0.08 -0.85 0.82 1.29 0.00 0.00 0.00 173.10 174.27 3fic h ASP 36 N 4.44 -0.02 0.00 1.64 2.03 -1.41 -1.00 116.42 122.10 3fic h ASP 36 Ca -0.36 -0.75 0.00 0.00 -0.73 0.00 0.00 57.03 55.19 3fic h ASP 36 Cb 1.20 0.01 0.00 0.00 -0.83 0.00 0.00 39.33 39.71 3fic h ASP 36 CO 0.41 0.79 0.00 0.54 -1.03 0.00 0.00 179.24 179.95 3fic n ARG 37 N -4.71 0.00 0.00 4.15 1.74 -1.16 -4.74 116.66 111.94 3fic n ARG 37 Ca -0.09 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 56.99 3fic n ARG 37 Cb 0.37 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.81 3fic n ARG 37 CO 0.00 0.00 0.00 1.04 -1.52 0.00 0.00 177.63 177.15 3fic n GLN 38 N -0.18 -0.24 0.00 5.56 1.13 -1.26 -4.57 117.38 117.81 3fic n GLN 38 Ca 0.00 -0.49 0.00 0.00 -1.94 0.00 0.00 57.00 54.57 3fic n GLN 38 Cb 0.00 -0.85 0.00 0.00 0.11 0.00 0.00 30.24 29.50 3fic n GLN 38 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3fic n GLY 39 N -0.06 1.30 2.92 1.08 0.00 -0.98 -4.85 105.19 104.61 3fic n GLY 39 Ca 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.74 3fic n GLY 39 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3fic s ARG 40 N 0.00 1.65 0.03 1.61 0.52 -1.26 0.19 118.95 121.68 3fic s ARG 40 Ca 0.00 -0.52 0.03 0.00 -0.52 0.00 0.00 55.73 54.72 3fic s ARG 40 Cb 0.00 -2.00 -0.02 0.00 0.52 0.00 0.00 34.95 33.45 3fic s ARG 40 CO 0.00 -0.38 -0.09 0.14 0.02 0.00 0.00 175.30 175.00 3fic s VAL 41 N 1.59 0.66 0.03 3.52 -7.23 -1.16 -1.44 120.40 116.37 3fic s VAL 41 Ca 0.02 -0.79 0.04 0.00 -1.81 0.00 0.00 61.98 59.44 3fic s VAL 41 Cb -0.15 -0.64 -0.02 0.00 0.56 0.00 0.00 36.38 36.14 3fic s VAL 41 CO -0.08 -0.12 -0.12 -0.83 -0.31 0.00 0.00 175.10 173.64 3fic s GLY 42 N -1.00 0.66 -0.24 2.32 0.00 0.16 -1.01 107.32 108.22 3fic s GLY 42 Ca -0.03 -0.71 0.01 0.00 0.00 0.00 0.00 44.72 43.99 3fic s GLY 42 CO 0.00 -0.69 -0.06 -2.27 0.00 0.00 0.00 173.10 170.08 3fic s LEU 43 N -1.00 2.73 -0.08 0.66 2.96 -1.12 -0.81 118.68 122.03 3fic s LEU 43 Ca 0.00 -1.23 0.04 0.00 -0.22 0.00 0.00 54.13 52.71 3fic s LEU 43 Cb -0.07 -1.24 0.00 0.00 0.50 0.00 0.00 46.19 45.39 3fic s LEU 43 CO 0.01 -0.23 -0.19 -0.83 -1.32 0.00 0.00 176.35 173.78 3fic s GLY 44 N 1.35 1.09 -0.34 7.98 0.00 -0.26 -4.65 107.32 112.49 3fic s GLY 44 Ca -0.06 -0.75 -0.09 0.00 0.00 0.00 0.00 44.72 43.83 3fic s GLY 44 CO -0.06 -0.19 0.15 -0.12 0.00 0.00 0.00 173.10 172.87 3fic s PHE 45 N 0.39 3.21 -0.15 1.90 5.36 -1.26 0.20 117.98 127.62 3fic s PHE 45 Ca -0.15 -0.94 -0.04 0.00 -0.96 0.00 0.00 56.93 54.85 3fic s PHE 45 Cb -0.16 -2.35 -0.03 0.00 -0.34 0.00 0.00 43.02 40.14 3fic s PHE 45 CO 0.06 -0.60 -0.02 0.20 -1.46 0.00 0.00 175.22 173.40 3fic s GLY 46 N 1.53 1.76 -0.04 13.12 0.00 0.76 -4.77 107.32 119.68 3fic s GLY 46 Ca 0.02 -0.81 0.06 0.00 0.00 0.00 0.00 44.72 43.99 3fic s GLY 46 CO 0.05 -0.13 -0.22 0.54 0.00 0.00 0.00 173.10 173.34 3fic s LYS 47 N 0.18 2.04 -0.24 2.90 3.01 -1.25 0.15 119.74 126.52 3fic s LYS 47 Ca -0.01 -0.78 -0.35 0.00 -1.01 0.00 0.00 55.97 53.82 3fic s LYS 47 Cb -0.13 -1.83 0.15 0.00 -1.01 0.00 0.00 37.83 35.01 3fic s LYS 47 CO 0.02 0.38 1.28 0.00 0.51 0.00 0.00 175.35 177.55 3fic s ALA 48 N -0.26 -2.12 0.41 5.17 0.00 -0.64 -4.82 121.76 119.50 3fic s ALA 48 Ca 0.01 1.75 0.03 0.00 0.00 0.00 0.00 51.96 53.75 3fic s ALA 48 Cb -0.11 -0.42 0.15 0.00 0.00 0.00 0.00 23.12 22.74 3fic s ALA 48 CO 0.01 -0.52 0.93 -1.35 0.00 0.00 0.00 175.76 174.83 3fic h PRO 49 N 2.02 0.00 -2.55 0.00 0.11 -1.88 -2.07 132.00 127.64 3fic h PRO 49 Ca -0.07 0.00 -0.10 0.00 0.11 0.00 0.00 66.00 65.95 3fic h PRO 49 Cb 1.15 0.00 -0.24 0.00 0.11 0.00 0.00 31.00 32.03 3fic h PRO 49 CO 0.21 0.00 -0.16 -2.00 -0.21 0.00 0.00 178.00 175.84 3fic s GLU 50 N -3.36 0.55 0.03 1.05 2.56 -1.26 -4.72 118.70 113.55 3fic s GLU 50 Ca -0.00 0.71 -0.07 0.00 0.00 0.00 0.00 54.97 55.61 3fic s GLU 50 Cb 0.01 0.23 -0.01 0.00 2.00 0.00 0.00 34.13 36.35 3fic s GLU 50 CO 0.02 -0.08 0.55 0.28 -0.56 0.00 0.00 175.26 175.47 3fic n VAL 51 N 3.08 -0.15 -0.02 3.70 0.31 -1.26 -0.58 118.33 123.41 3fic n VAL 51 Ca -0.15 0.85 -0.10 0.00 -0.01 0.00 0.00 64.34 64.92 3fic n VAL 51 Cb 0.57 -1.08 -0.07 0.00 -0.91 0.00 0.00 33.84 32.35 3fic n VAL 51 CO 0.00 0.00 0.00 -0.65 -1.32 0.00 0.00 176.83 174.86 3fic h PRO 52 N 0.00 -0.38 -0.71 5.55 0.11 -1.97 0.33 132.00 134.93 3fic h PRO 52 Ca 0.03 0.03 0.13 0.00 0.11 0.00 0.00 66.00 66.30 3fic h PRO 52 Cb 0.09 0.09 -0.13 0.00 0.11 0.00 0.00 31.00 31.15 3fic h PRO 52 CO -0.20 -0.25 -0.30 -0.07 -0.21 0.00 0.00 178.00 176.97 3fic h LEU 53 N -0.39 -1.07 0.02 2.35 3.38 -1.24 0.76 115.31 119.12 3fic h LEU 53 Ca 0.02 0.24 0.01 0.00 0.09 0.00 0.00 57.88 58.24 3fic h LEU 53 Cb 0.47 0.58 -0.02 0.00 0.09 0.00 0.00 40.66 41.77 3fic h LEU 53 CO -0.32 -0.29 -0.20 0.00 0.09 0.00 0.00 178.44 177.72 3fic h ALA 54 N 1.30 -0.70 -0.32 1.53 0.00 0.43 -1.83 119.26 119.68 3fic h ALA 54 Ca 0.29 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.17 3fic h ALA 54 Cb 0.56 0.65 0.00 0.00 0.00 0.00 0.00 17.79 19.00 3fic h ALA 54 CO -0.77 -0.75 0.00 0.28 0.00 0.00 0.00 179.25 178.01 3fic n VAL 55 N -3.61 0.00 -0.26 0.00 0.31 0.10 -1.45 118.33 113.42 3fic n VAL 55 Ca -0.03 0.97 -0.07 0.00 -0.01 0.00 0.00 64.34 65.20 3fic n VAL 55 Cb 0.15 -1.32 -0.06 0.00 -0.91 0.00 0.00 33.84 31.70 3fic n VAL 55 CO 0.00 0.00 0.00 -0.61 -1.32 0.00 0.00 176.83 174.90 3fic h GLN 56 N 0.00 -0.02 -1.00 5.55 -0.00 -0.93 0.20 115.11 118.92 3fic h GLN 56 Ca 0.00 0.00 0.30 0.00 -0.00 0.00 0.00 58.65 58.95 3fic h GLN 56 Cb 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 27.48 27.34 3fic h GLN 56 CO 0.00 -0.01 0.56 0.87 0.00 0.00 0.00 178.83 180.25 3fic h LYS 57 N -0.02 0.36 -0.12 1.69 1.57 -0.42 1.01 116.57 120.64 3fic h LYS 57 Ca 0.10 -0.02 0.03 0.00 -1.87 0.00 0.00 60.65 58.89 3fic h LYS 57 Cb 0.27 -0.08 -0.03 0.00 0.08 0.00 0.00 32.23 32.47 3fic h LYS 57 CO -0.59 0.24 -0.07 0.00 -0.57 0.00 0.00 179.45 178.46 3fic h ALA 58 N 1.82 0.03 0.52 3.86 0.00 0.54 0.54 119.26 126.57 3fic h ALA 58 Ca 0.71 0.05 -0.02 0.00 0.00 0.00 0.00 54.91 55.65 3fic h ALA 58 Cb 1.56 0.16 -0.02 0.00 0.00 0.00 0.00 17.79 19.49 3fic h ALA 58 CO -0.58 -0.52 -0.48 0.78 0.00 0.00 0.00 179.25 178.44 3fic h GLY 59 N -0.07 -1.25 -0.31 0.00 0.00 0.16 0.36 103.07 101.97 3fic h GLY 59 Ca 0.07 0.57 0.04 0.00 0.00 0.00 0.00 47.33 48.01 3fic h GLY 59 CO -0.16 -0.38 -0.55 -1.82 0.00 0.00 0.00 176.54 173.63 3fic h TYR 60 N -0.98 -1.67 -0.72 5.60 3.20 -0.55 0.34 116.97 122.18 3fic h TYR 60 Ca -0.07 0.08 0.15 0.00 3.14 0.00 0.00 58.73 62.03 3fic h TYR 60 Cb 0.84 0.77 -0.05 0.00 1.54 0.00 0.00 36.73 39.84 3fic h TYR 60 CO -0.22 -0.51 0.49 1.88 -1.64 0.00 0.00 178.16 178.15 3fic h TYR 61 N -0.46 0.42 0.29 -3.82 0.05 0.22 -2.46 116.97 111.21 3fic h TYR 61 Ca 0.06 0.01 -0.01 0.00 0.05 0.00 0.00 58.73 58.84 3fic h TYR 61 Cb 0.63 -0.13 0.00 0.00 1.01 0.00 0.00 36.73 38.24 3fic h TYR 61 CO -0.68 0.16 -0.14 0.00 -1.05 0.00 0.00 178.16 176.45 3fic h ALA 62 N 1.66 -0.96 -0.97 3.88 0.00 0.36 -2.85 119.26 120.37 3fic h ALA 62 Ca 0.35 -0.09 0.32 0.00 0.00 0.00 0.00 54.91 55.50 3fic h ALA 62 Cb 0.87 0.15 -0.16 0.00 0.00 0.00 0.00 17.79 18.65 3fic h ALA 62 CO -0.10 -0.93 0.39 0.00 0.00 0.00 0.00 179.25 178.61 3fic h ARG 63 N -0.44 0.15 0.00 0.00 3.08 -0.81 3.33 114.38 119.70 3fic h ARG 63 Ca -0.04 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.00 3fic h ARG 63 Cb 0.30 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.32 3fic h ARG 63 CO 0.07 0.10 0.00 -2.13 -1.07 0.00 0.00 179.97 176.94 3fic n ARG 64 N -5.22 0.11 -3.52 0.04 0.63 -0.95 -4.04 116.66 103.70 3fic n ARG 64 Ca 0.30 0.22 -0.29 0.00 -0.92 0.00 0.00 57.85 57.16 3fic n ARG 64 Cb 0.96 -1.50 -0.14 0.00 0.45 0.00 0.00 32.46 32.22 3fic n ARG 64 CO 0.00 0.00 0.00 1.21 -2.51 0.00 0.00 177.63 176.33 3fic s ASN 65 N -2.66 3.39 0.37 6.15 2.47 1.11 -5.08 114.94 120.69 3fic s ASN 65 Ca 0.08 -1.42 0.06 0.00 0.42 0.00 0.00 52.86 52.00 3fic s ASN 65 Cb 0.06 -0.33 -0.03 0.00 -1.45 0.00 0.00 41.25 39.51 3fic s ASN 65 CO 0.15 -0.42 0.21 -0.04 -3.72 0.00 0.00 177.10 173.29 3fic s MET 66 N 1.94 1.85 -0.14 0.43 -1.94 -1.25 -2.78 119.30 117.41 3fic s MET 66 Ca 0.10 -2.11 -0.21 0.00 -1.71 0.00 0.00 55.69 51.77 3fic s MET 66 Cb -0.17 -0.09 0.05 0.00 2.01 0.00 0.00 34.83 36.63 3fic s MET 66 CO -0.31 -0.59 0.54 0.54 -0.01 0.00 0.00 175.02 175.19 3fic s VAL 67 N -3.33 0.01 -0.85 -6.03 0.11 -0.18 -4.96 120.40 105.18 3fic s VAL 67 Ca 0.32 -0.08 -0.25 0.00 -2.93 0.00 0.00 61.98 59.04 3fic s VAL 67 Cb 0.02 -0.79 0.02 0.00 -1.53 0.00 0.00 36.38 34.10 3fic s VAL 67 CO 0.22 -0.05 1.51 -1.83 -3.33 0.00 0.00 175.10 171.62 3fic s GLU 68 N -0.33 3.18 -0.61 1.54 -1.05 -1.25 -2.96 118.70 117.21 3fic s GLU 68 Ca -0.05 -0.46 -0.27 0.00 -0.15 0.00 0.00 54.97 54.04 3fic s GLU 68 Cb -0.03 -4.76 0.01 0.00 -0.44 0.00 0.00 34.13 28.90 3fic s GLU 68 CO 0.03 -2.42 1.51 0.08 0.95 0.00 0.00 175.26 175.42 3fic s VAL 69 N 6.49 3.65 -0.78 1.83 1.01 0.51 -4.91 120.40 128.19 3fic s VAL 69 Ca 0.48 0.48 -0.25 0.00 0.00 0.00 0.00 61.98 62.69 3fic s VAL 69 Cb -0.05 -4.40 -0.19 0.00 0.00 0.00 0.00 36.38 31.73 3fic s VAL 69 CO 0.04 -1.25 1.89 -0.81 0.00 0.00 0.00 175.10 174.97 3fic n PRO 70 N 8.97 1.08 -0.32 2.72 -0.04 -1.26 -4.49 135.00 141.65 3fic n PRO 70 Ca 0.12 -1.85 -0.30 0.00 -0.04 0.00 0.00 63.50 61.43 3fic n PRO 70 Cb 0.50 -3.20 0.29 0.00 -0.04 0.00 0.00 33.50 31.04 3fic n PRO 70 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 3fic n LEU 71 N 11.34 0.00 -3.15 1.53 4.77 -1.26 -4.35 117.00 125.88 3fic n LEU 71 Ca 0.47 -0.91 0.05 0.00 -0.03 0.00 0.00 56.01 55.60 3fic n LEU 71 Cb 0.43 -0.99 -0.01 0.00 -2.33 0.00 0.00 43.42 40.52 3fic n LEU 71 CO 0.91 -2.76 0.58 -1.10 -1.33 0.00 0.00 177.39 173.69 3fic s GLN 72 N -5.11 0.16 0.00 3.23 -0.21 -0.74 -4.87 119.66 112.12 3fic s GLN 72 Ca 0.67 0.24 0.00 0.00 0.02 0.00 0.00 55.36 56.29 3fic s GLN 72 Cb -0.11 0.13 0.00 0.00 1.00 0.00 0.00 33.01 34.03 3fic s GLN 72 CO 0.56 -0.22 0.00 -1.71 -2.12 0.00 0.00 175.29 171.80 3fic n ASN 73 N 5.36 0.00 0.00 5.90 4.05 -1.26 -1.83 115.26 127.48 3fic n ASN 73 Ca -0.02 0.00 0.00 0.00 0.45 0.00 0.00 54.58 55.01 3fic n ASN 73 Cb 0.55 -1.52 0.00 0.00 1.23 0.00 0.00 39.78 40.04 3fic n ASN 73 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 3fic n GLY 74 N -2.00 1.06 3.39 8.20 0.00 -1.26 -4.92 105.19 109.66 3fic n GLY 74 Ca 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.80 3fic n GLY 74 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3fic s THR 75 N -2.00 0.23 0.60 2.61 -1.32 -0.76 0.11 115.64 115.11 3fic s THR 75 Ca 0.00 -2.00 -0.14 0.00 -1.21 0.00 0.00 61.69 58.34 3fic s THR 75 Cb 0.00 -2.41 -0.04 0.00 -1.51 0.00 0.00 72.50 68.54 3fic s THR 75 CO 0.00 0.00 1.03 -0.51 -2.21 0.00 0.00 174.62 172.93 3fic s ILE 76 N -3.33 4.25 0.27 5.08 2.07 -1.26 -1.80 121.20 126.49 3fic s ILE 76 Ca 0.33 0.91 0.05 0.00 -1.41 0.00 0.00 60.65 60.53 3fic s ILE 76 Cb 0.02 -3.58 0.01 0.00 0.13 0.00 0.00 42.46 39.04 3fic s ILE 76 CO 0.22 -0.78 1.66 1.55 -1.91 0.00 0.00 174.94 175.68 3fic h PRO 77 N 0.13 0.28 -2.57 3.50 0.13 -1.84 -3.44 132.00 128.19 3fic h PRO 77 Ca -0.45 -0.14 0.14 0.00 -0.87 0.00 0.00 66.00 64.67 3fic h PRO 77 Cb 1.20 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 32.28 3fic h PRO 77 CO 0.59 0.68 0.42 -3.38 -0.23 0.00 0.00 178.00 176.08 3fic s HIS 78 N -4.07 -0.10 0.33 1.56 -3.43 -1.26 -5.02 115.29 103.30 3fic s HIS 78 Ca -0.05 -0.29 -0.28 0.00 -0.80 0.00 0.00 55.06 53.65 3fic s HIS 78 Cb 0.13 0.68 -0.09 0.00 -1.43 0.00 0.00 32.58 31.87 3fic s HIS 78 CO 0.78 -1.00 1.12 -1.21 -2.00 0.00 0.00 174.74 172.44 3fic s GLU 79 N -3.22 4.42 -0.16 -0.38 8.01 -1.26 -4.63 118.70 121.49 3fic s GLU 79 Ca 0.13 1.80 -0.13 0.00 0.01 0.00 0.00 54.97 56.79 3fic s GLU 79 Cb -0.03 -2.97 0.04 0.00 -4.31 0.00 0.00 34.13 26.86 3fic s GLU 79 CO 0.05 0.02 0.40 0.96 0.01 0.00 0.00 175.26 176.69 3fic s ILE 80 N -1.29 -0.01 -0.13 -1.63 -4.36 0.04 -4.98 121.20 108.84 3fic s ILE 80 Ca 0.49 0.03 0.01 0.00 -0.26 0.00 0.00 60.65 60.92 3fic s ILE 80 Cb -0.31 -0.57 -0.01 0.00 1.25 0.00 0.00 42.46 42.82 3fic s ILE 80 CO 0.39 0.01 -0.16 -1.61 0.24 0.00 0.00 174.94 173.82 3fic s GLU 81 N 0.53 3.29 -0.13 0.37 2.02 -1.26 -0.42 118.70 123.11 3fic s GLU 81 Ca -0.03 -0.74 -0.02 0.00 0.02 0.00 0.00 54.97 54.21 3fic s GLU 81 Cb -0.04 -2.56 0.04 0.00 0.10 0.00 0.00 34.13 31.67 3fic s GLU 81 CO -0.03 0.19 0.02 0.08 0.02 0.00 0.00 175.26 175.53 3fic s VAL 82 N 0.40 0.45 -0.18 2.63 1.01 -0.12 -4.97 120.40 119.62 3fic s VAL 82 Ca -0.12 -0.21 -0.17 0.00 0.00 0.00 0.00 61.98 61.48 3fic s VAL 82 Cb -0.16 -0.78 -0.04 0.00 0.00 0.00 0.00 36.38 35.40 3fic s VAL 82 CO 0.06 0.03 0.46 -1.61 0.00 0.00 0.00 175.10 174.04 3fic s GLU 83 N 1.92 4.21 -0.39 2.72 2.02 -1.26 -2.08 118.70 125.83 3fic s GLU 83 Ca 0.02 0.33 0.01 0.00 0.02 0.00 0.00 54.97 55.35 3fic s GLU 83 Cb -0.15 -3.52 0.14 0.00 0.10 0.00 0.00 34.13 30.70 3fic s GLU 83 CO -0.07 -0.04 0.22 0.12 0.02 0.00 0.00 175.26 175.52 3fic s PHE 84 N 1.29 1.38 0.00 1.61 5.36 0.30 -4.99 117.98 122.93 3fic s PHE 84 Ca 0.22 -2.03 0.00 0.00 -0.96 0.00 0.00 56.93 54.17 3fic s PHE 84 Cb -0.15 -1.43 0.00 0.00 -0.34 0.00 0.00 43.02 41.10 3fic s PHE 84 CO 0.09 -0.81 0.00 0.41 -1.46 0.00 0.00 175.22 173.45 3fic n GLY 85 N 3.82 0.55 0.18 13.12 0.00 -1.26 -3.10 105.19 118.50 3fic n GLY 85 Ca 0.10 -0.74 -0.07 0.00 0.00 0.00 0.00 46.02 45.30 3fic n GLY 85 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3fic h ALA 86 N -0.08 0.76 -2.28 4.61 0.00 -1.97 -3.45 119.26 116.84 3fic h ALA 86 Ca 0.00 -0.54 -0.48 0.00 0.00 0.00 0.00 54.91 53.89 3fic h ALA 86 Cb 0.00 -0.08 0.03 0.00 0.00 0.00 0.00 17.79 17.74 3fic h ALA 86 CO 0.00 0.72 0.38 -1.12 0.00 0.00 0.00 179.25 179.23 3fic s SER 87 N -6.92 6.26 0.11 0.00 0.01 -1.18 -2.88 113.70 109.10 3fic s SER 87 Ca -0.05 1.80 -0.03 0.00 1.31 0.00 0.00 55.95 58.97 3fic s SER 87 Cb 0.11 -2.54 -0.03 0.00 0.21 0.00 0.00 66.02 63.77 3fic s SER 87 CO 0.82 -0.84 0.08 -0.75 0.41 0.00 0.00 173.24 172.96 3fic s LYS 88 N -3.68 0.87 -0.28 12.44 2.20 0.51 -0.53 119.74 131.27 3fic s LYS 88 Ca 0.64 -1.29 -0.25 0.00 -0.36 0.00 0.00 55.97 54.71 3fic s LYS 88 Cb -0.14 0.26 0.10 0.00 -1.51 0.00 0.00 37.83 36.54 3fic s LYS 88 CO 0.27 -0.25 0.88 -1.50 -0.36 0.00 0.00 175.35 174.39 3fic s ILE 89 N -3.98 0.00 0.01 5.43 2.07 -0.89 -1.74 121.20 122.10 3fic s ILE 89 Ca 0.17 0.00 0.04 0.00 -1.41 0.00 0.00 60.65 59.45 3fic s ILE 89 Cb 0.07 -1.00 -0.03 0.00 0.13 0.00 0.00 42.46 41.62 3fic s ILE 89 CO -0.03 0.00 -0.10 -0.69 -1.91 0.00 0.00 174.94 172.21 3fic s VAL 90 N 0.31 3.41 -0.17 4.00 1.01 -0.76 -0.94 120.40 127.27 3fic s VAL 90 Ca 0.02 -0.87 -0.05 0.00 0.00 0.00 0.00 61.98 61.08 3fic s VAL 90 Cb -0.05 -2.47 0.06 0.00 0.00 0.00 0.00 36.38 33.92 3fic s VAL 90 CO -0.03 0.39 0.08 -0.76 0.00 0.00 0.00 175.10 174.78 3fic s LEU 91 N -1.39 0.49 -0.15 3.92 1.02 0.45 -2.82 118.68 120.21 3fic s LEU 91 Ca 0.16 -0.64 0.02 0.00 0.02 0.00 0.00 54.13 53.69 3fic s LEU 91 Cb -0.11 -0.30 0.01 0.00 0.02 0.00 0.00 46.19 45.81 3fic s LEU 91 CO 0.07 -0.34 -0.20 -0.54 0.02 0.00 0.00 176.35 175.35 3fic s LYS 92 N 2.09 2.90 0.07 1.70 1.02 0.26 -0.78 119.74 127.01 3fic s LYS 92 Ca 0.02 -0.81 -0.31 0.00 0.02 0.00 0.00 55.97 54.89 3fic s LYS 92 Cb -0.16 -2.39 -0.07 0.00 -0.52 0.00 0.00 37.83 34.68 3fic s LYS 92 CO -0.09 -0.07 1.43 -1.25 -0.92 0.00 0.00 175.35 174.45 3fic s PRO 93 N 0.97 4.29 0.09 -1.68 0.04 -1.26 0.27 135.00 137.71 3fic s PRO 93 Ca -0.04 2.08 0.04 0.00 0.04 0.00 0.00 61.00 63.13 3fic s PRO 93 Cb -0.15 -3.39 -0.04 0.00 0.04 0.00 0.00 34.50 30.96 3fic s PRO 93 CO -0.05 -0.52 0.01 0.00 0.04 0.00 0.00 177.00 176.48 3fic s ALA 94 N 1.70 3.34 0.59 8.56 0.00 -1.25 -4.81 121.76 129.89 3fic s ALA 94 Ca 0.66 -1.10 -0.18 0.00 0.00 0.00 0.00 51.96 51.34 3fic s ALA 94 Cb -0.36 -1.24 -0.06 0.00 0.00 0.00 0.00 23.12 21.46 3fic s ALA 94 CO 0.29 0.71 0.80 0.00 0.00 0.00 0.00 175.76 177.56 3fic n ALA 95 N 0.55 -0.34 -1.21 0.00 0.00 -1.26 -4.66 120.51 113.59 3fic n ALA 95 Ca -0.10 -0.00 -0.37 0.00 0.00 0.00 0.00 53.44 52.97 3fic n ALA 95 Cb 0.52 -2.00 0.05 0.00 0.00 0.00 0.00 19.45 18.02 3fic n ALA 95 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 3fic n PRO 96 N -0.65 0.19 -3.51 0.00 -0.02 -1.26 -2.95 135.00 126.79 3fic n PRO 96 Ca 0.13 0.09 -0.22 0.00 -2.02 0.00 0.00 63.50 61.48 3fic n PRO 96 Cb 0.47 -1.55 0.07 0.00 -0.02 0.00 0.00 33.50 32.48 3fic n PRO 96 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3fic n GLY 97 N 2.06 -0.43 0.34 -1.23 0.00 -1.26 -4.94 105.19 99.73 3fic n GLY 97 Ca 0.08 0.19 -0.17 0.00 0.00 0.00 0.00 46.02 46.12 3fic n GLY 97 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3fic n THR 98 N -4.81 1.26 0.00 2.61 -1.04 -1.15 -5.14 114.28 106.01 3fic n THR 98 Ca 0.00 -0.12 0.00 0.00 -2.04 0.00 0.00 64.05 61.90 3fic n THR 98 Cb 0.56 -1.92 0.00 0.00 -1.82 0.00 0.00 70.33 67.15 3fic n THR 98 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3fic n GLY 99 N 1.77 3.14 3.18 3.41 0.00 -1.24 -4.94 105.19 110.52 3fic n GLY 99 Ca -0.31 -1.90 -0.39 0.00 0.00 0.00 0.00 46.02 43.42 3fic n GLY 99 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3fic s VAL 100 N -2.18 4.79 -0.94 1.61 1.01 -1.22 -1.20 120.40 122.28 3fic s VAL 100 Ca 0.00 -3.49 -0.21 0.00 0.00 0.00 0.00 61.98 58.28 3fic s VAL 100 Cb 0.00 -3.96 0.08 0.00 0.00 0.00 0.00 36.38 32.51 3fic s VAL 100 CO 0.00 -1.07 1.27 0.27 0.00 0.00 0.00 175.10 175.56 3fic s ILE 101 N -0.99 4.27 0.21 2.22 -0.00 -0.89 -4.94 121.20 121.08 3fic s ILE 101 Ca 0.26 -0.99 -0.18 0.00 -0.00 0.00 0.00 60.65 59.74 3fic s ILE 101 Cb -0.10 -4.91 0.03 0.00 -0.00 0.00 0.00 42.46 37.48 3fic s ILE 101 CO -0.10 -1.72 0.55 0.00 -0.00 0.00 0.00 174.94 173.68 3fic s ALA 102 N 4.01 -0.99 0.61 2.27 0.00 -1.26 -1.88 121.76 124.51 3fic s ALA 102 Ca 0.38 -0.21 -0.14 0.00 0.00 0.00 0.00 51.96 51.99 3fic s ALA 102 Cb -0.04 0.87 -0.03 0.00 0.00 0.00 0.00 23.12 23.92 3fic s ALA 102 CO -0.07 -0.84 1.05 0.20 0.00 0.00 0.00 175.76 176.11 3fic s GLY 103 N -2.88 1.99 0.00 0.00 0.00 -1.26 -4.67 107.32 100.51 3fic s GLY 103 Ca 0.09 0.28 0.00 0.00 0.00 0.00 0.00 44.72 45.09 3fic s GLY 103 CO -0.02 0.58 0.00 0.00 0.00 0.00 0.00 173.10 173.67 3fic n ALA 104 N -2.27 0.00 -0.35 3.20 0.00 -1.26 -2.28 120.51 117.55 3fic n ALA 104 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.52 3fic n ALA 104 Cb 0.53 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.98 3fic n ALA 104 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3fic n VAL 105 N -3.96 0.00 -0.17 0.00 0.31 -1.26 -1.62 118.33 111.62 3fic n VAL 105 Ca 0.00 1.13 0.29 0.00 -0.01 0.00 0.00 64.34 65.75 3fic n VAL 105 Cb 0.00 -2.06 0.65 0.00 -0.91 0.00 0.00 33.84 31.52 3fic n VAL 105 CO 0.00 0.00 0.00 1.55 -1.32 0.00 0.00 176.83 177.06 3fic h PRO 106 N 0.00 0.00 0.00 5.55 0.13 -1.82 -1.85 132.00 134.02 3fic h PRO 106 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 3fic h PRO 106 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 3fic h PRO 106 CO 0.00 0.00 0.00 -2.13 -0.23 0.00 0.00 178.00 175.64 3fic n ARG 107 N -3.68 0.00 -0.18 0.86 0.63 -0.99 0.12 116.66 113.42 3fic n ARG 107 Ca 0.20 0.09 0.16 0.00 -0.92 0.00 0.00 57.85 57.39 3fic n ARG 107 Cb 1.19 -0.87 0.31 0.00 0.45 0.00 0.00 32.46 33.54 3fic n ARG 107 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 3fic n ALA 108 N -0.78 0.53 -0.05 5.13 0.00 -0.64 0.23 120.51 124.94 3fic n ALA 108 Ca 0.00 0.58 -0.14 0.00 0.00 0.00 0.00 53.44 53.88 3fic n ALA 108 Cb 0.00 -0.55 -0.12 0.00 0.00 0.00 0.00 19.45 18.78 3fic n ALA 108 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 3fic h ILE 109 N 0.00 1.67 0.00 0.00 2.04 -1.42 -3.29 117.51 116.51 3fic h ILE 109 Ca 0.46 -2.01 -0.05 0.00 1.00 0.00 0.00 64.86 64.25 3fic h ILE 109 Cb 1.18 3.03 -0.01 0.00 -0.74 0.00 0.00 36.82 40.28 3fic h ILE 109 CO -0.45 0.52 -0.23 -0.07 0.00 0.00 0.00 178.15 177.92 3fic h LEU 110 N -0.87 0.00 0.56 1.44 3.38 0.71 -1.00 115.31 119.53 3fic h LEU 110 Ca -0.00 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 3fic h LEU 110 Cb 0.85 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.60 3fic h LEU 110 CO 0.00 0.23 -0.31 -0.33 0.09 0.00 0.00 178.44 178.13 3fic h GLU 111 N 0.00 -0.78 0.00 1.13 5.08 0.11 -1.50 114.58 118.61 3fic h GLU 111 Ca -0.00 0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.41 3fic h GLU 111 Cb 0.58 0.18 0.00 0.00 0.50 0.00 0.00 28.75 30.01 3fic h GLU 111 CO 0.03 -0.52 0.00 -0.07 -1.00 0.00 0.00 179.01 177.45 3fic h LEU 112 N -0.81 0.00 -1.43 1.33 3.38 -1.61 -1.44 115.31 114.74 3fic h LEU 112 Ca -0.07 0.00 0.08 0.00 0.09 0.00 0.00 57.88 57.98 3fic h LEU 112 Cb 0.64 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.35 3fic h LEU 112 CO 0.10 0.00 0.47 0.00 0.09 0.00 0.00 178.44 179.09 3fic h ALA 113 N 2.01 1.78 0.00 1.53 0.00 -0.13 -3.07 119.26 121.39 3fic h ALA 113 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 3fic h ALA 113 Cb 0.43 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.06 3fic h ALA 113 CO 0.00 0.09 0.00 0.41 0.00 0.00 0.00 179.25 179.75 3fic n GLY 114 N -1.46 1.89 3.77 0.00 0.00 -0.54 -2.31 105.19 106.54 3fic n GLY 114 Ca 0.11 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.74 3fic n GLY 114 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3fic s VAL 115 N -2.06 2.80 -0.01 1.61 -7.23 -1.16 -4.86 120.40 109.50 3fic s VAL 115 Ca 0.00 0.68 0.01 0.00 -1.81 0.00 0.00 61.98 60.86 3fic s VAL 115 Cb 0.00 -3.39 -0.01 0.00 0.56 0.00 0.00 36.38 33.54 3fic s VAL 115 CO 0.00 0.07 0.02 0.41 -0.31 0.00 0.00 175.10 175.29 3fic n THR 116 N -0.04 0.00 -3.66 5.32 -1.04 0.30 -4.57 114.28 110.59 3fic n THR 116 Ca 0.05 -0.08 -0.22 0.00 -2.04 0.00 0.00 64.05 61.76 3fic n THR 116 Cb 0.45 0.55 -0.18 0.00 -1.82 0.00 0.00 70.33 69.33 3fic n THR 116 CO 0.00 0.00 0.00 -1.81 -0.64 0.00 0.00 175.07 172.62 3fic s ASP 117 N -1.97 1.48 -0.28 8.00 1.01 -0.91 -3.39 116.67 120.62 3fic s ASP 117 Ca -0.00 -0.11 -0.23 0.00 0.71 0.00 0.00 52.55 52.91 3fic s ASP 117 Cb 0.01 -0.18 0.10 0.00 1.01 0.00 0.00 42.92 43.86 3fic s ASP 117 CO 0.04 -0.27 0.89 -0.51 0.21 0.00 0.00 175.17 175.52 3fic s ILE 118 N 2.15 0.00 -0.18 0.77 1.10 -0.34 -3.78 121.20 120.93 3fic s ILE 118 Ca 0.04 0.00 -0.09 0.00 -0.51 0.00 0.00 60.65 60.10 3fic s ILE 118 Cb -0.13 -1.00 -0.05 0.00 0.15 0.00 0.00 42.46 41.43 3fic s ILE 118 CO -0.05 0.00 0.11 -0.76 -2.11 0.00 0.00 174.94 172.14 3fic s LEU 119 N 0.50 4.15 0.00 8.50 1.43 0.76 -2.09 118.68 131.93 3fic s LEU 119 Ca -0.00 0.25 0.01 0.00 -1.03 0.00 0.00 54.13 53.36 3fic s LEU 119 Cb -0.05 -2.05 -0.00 0.00 0.03 0.00 0.00 46.19 44.11 3fic s LEU 119 CO -0.06 0.23 0.04 0.35 0.23 0.00 0.00 176.35 177.15 3fic n THR 120 N 3.16 0.00 0.00 5.49 -2.24 -0.79 0.93 114.28 120.83 3fic n THR 120 Ca -0.17 -0.40 0.00 0.00 -2.27 0.00 0.00 64.05 61.21 3fic n THR 120 Cb 0.53 0.18 0.00 0.00 -2.10 0.00 0.00 70.33 68.94 3fic n THR 120 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67 3fic n LYS 121 N -0.11 0.00 -3.14 -0.78 3.00 -1.13 -4.87 118.16 111.13 3fic n LYS 121 Ca 0.01 0.00 -0.39 0.00 -0.00 0.00 0.00 58.31 57.93 3fic n LYS 121 Cb 0.10 0.00 -0.05 0.00 0.00 0.00 0.00 35.03 35.08 3fic n LYS 121 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.40 176.19 3fic s GLU 122 N -0.11 4.39 0.15 1.64 2.02 -1.26 -1.82 118.70 123.70 3fic s GLU 122 Ca 0.00 0.72 0.09 0.00 0.02 0.00 0.00 54.97 55.80 3fic s GLU 122 Cb 0.00 -3.46 -0.04 0.00 0.10 0.00 0.00 34.13 30.74 3fic s GLU 122 CO 0.00 0.07 -0.20 -0.51 0.02 0.00 0.00 175.26 174.64 3fic s LEU 123 N 0.85 2.39 0.00 1.80 1.43 -0.71 -4.98 118.68 119.45 3fic s LEU 123 Ca 0.33 -0.80 0.00 0.00 -1.03 0.00 0.00 54.13 52.63 3fic s LEU 123 Cb -0.17 -0.90 0.00 0.00 0.03 0.00 0.00 46.19 45.15 3fic s LEU 123 CO 0.15 0.02 0.00 0.61 0.23 0.00 0.00 176.35 177.36 3fic n GLY 124 N 0.58 0.43 3.71 -3.19 0.00 -1.26 -0.36 105.19 105.10 3fic n GLY 124 Ca -0.15 -0.84 -0.43 0.00 0.00 0.00 0.00 46.02 44.60 3fic n GLY 124 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 3fic n SER 125 N -0.68 3.85 -0.79 1.61 2.88 -1.14 -4.84 113.62 114.51 3fic n SER 125 Ca 0.00 1.07 0.07 0.00 -1.33 0.00 0.00 58.87 58.68 3fic n SER 125 Cb 0.00 -1.56 0.19 0.00 -0.75 0.00 0.00 64.21 62.09 3fic n SER 125 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 3fic n ARG 126 N 3.72 2.00 -1.59 -1.46 1.74 -1.26 -4.28 116.66 115.53 3fic n ARG 126 Ca 0.15 -1.54 -0.49 0.00 -0.77 0.00 0.00 57.85 55.20 3fic n ARG 126 Cb 0.34 -1.34 -0.04 0.00 -1.02 0.00 0.00 32.46 30.40 3fic n ARG 126 CO 0.00 0.00 0.00 -1.71 -1.52 0.00 0.00 177.63 174.40 3fic n ASN 127 N 0.75 1.63 0.00 0.55 2.85 -1.26 -4.82 115.26 114.96 3fic n ASN 127 Ca 0.14 1.13 0.00 0.00 -0.11 0.00 0.00 54.58 55.75 3fic n ASN 127 Cb 0.36 -1.24 0.00 0.00 1.24 0.00 0.00 39.78 40.15 3fic n ASN 127 CO 0.00 0.00 0.00 -2.65 -2.11 0.00 0.00 177.26 172.50 3fic n PRO 128 N 2.06 0.00 -0.10 1.20 -0.02 -1.26 -0.93 135.00 135.94 3fic n PRO 128 Ca 0.16 0.15 -0.03 0.00 -2.02 0.00 0.00 63.50 61.76 3fic n PRO 128 Cb 0.24 -0.93 -0.02 0.00 -0.02 0.00 0.00 33.50 32.77 3fic n PRO 128 CO 0.00 0.00 0.00 -0.89 1.98 0.00 0.00 175.50 176.59 3fic n ILE 129 N -0.57 -0.17 -0.33 4.25 5.41 -1.26 0.14 119.36 126.82 3fic n ILE 129 Ca 0.00 0.73 -0.04 0.00 1.00 0.00 0.00 62.75 64.44 3fic n ILE 129 Cb 0.00 -0.91 0.09 0.00 -0.71 0.00 0.00 39.64 38.11 3fic n ILE 129 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 176.55 177.33 3fic h ASN 130 N 0.00 1.12 -0.38 4.38 2.35 -1.94 -0.65 115.58 120.46 3fic h ASN 130 Ca 0.04 -0.10 -0.10 0.00 -0.55 0.00 0.00 56.30 55.59 3fic h ASN 130 Cb 0.10 -0.29 -0.02 0.00 0.05 0.00 0.00 38.32 38.17 3fic h ASN 130 CO -0.23 0.90 -0.11 0.40 -1.65 0.00 0.00 177.43 176.73 3fic h ILE 131 N 1.26 1.26 0.00 2.81 1.08 0.31 0.17 117.51 124.40 3fic h ILE 131 Ca 0.32 -1.20 0.00 0.00 -0.39 0.00 0.00 64.86 63.59 3fic h ILE 131 Cb 0.03 1.03 0.00 0.00 -3.07 0.00 0.00 36.82 34.81 3fic h ILE 131 CO -0.05 0.41 0.00 0.00 -0.69 0.00 0.00 178.15 177.82 3fic n ALA 132 N -2.49 -0.01 -0.10 1.87 0.00 0.21 0.73 120.51 120.72 3fic n ALA 132 Ca 0.01 0.00 0.24 0.00 0.00 0.00 0.00 53.44 53.70 3fic n ALA 132 Cb 0.38 0.11 0.49 0.00 0.00 0.00 0.00 19.45 20.43 3fic n ALA 132 CO 0.00 0.00 0.00 1.88 0.00 0.00 0.00 177.50 179.38 3fic h TYR 133 N 0.00 0.00 -0.03 0.00 -1.99 -1.13 0.83 116.97 114.65 3fic h TYR 133 Ca 0.00 0.00 -0.01 0.00 2.00 0.00 0.00 58.73 60.72 3fic h TYR 133 Cb 0.00 0.00 -0.00 0.00 2.00 0.00 0.00 36.73 38.73 3fic h TYR 133 CO -0.01 0.00 -0.01 0.00 -0.00 0.00 0.00 178.16 178.14 3fic h ALA 134 N 0.74 0.04 -0.23 3.88 0.00 0.21 -2.90 119.26 121.00 3fic h ALA 134 Ca 0.38 -0.21 0.04 0.00 0.00 0.00 0.00 54.91 55.13 3fic h ALA 134 Cb 2.40 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 20.14 3fic h ALA 134 CO -0.00 -0.24 -0.04 1.15 0.00 0.00 0.00 179.25 180.11 3fic h THR 135 N -0.33 0.79 0.00 0.00 2.02 0.67 -2.42 112.91 113.64 3fic h THR 135 Ca 0.01 -0.01 0.00 0.00 0.77 0.00 0.00 66.41 67.18 3fic h THR 135 Cb 0.43 0.76 0.00 0.00 -1.74 0.00 0.00 68.15 67.60 3fic h THR 135 CO 0.00 0.00 0.00 0.23 0.37 0.00 0.00 175.52 176.13 3fic n MET 136 N -5.20 0.00 -0.14 6.66 2.00 -0.99 -0.67 117.12 118.77 3fic n MET 136 Ca -0.02 0.66 0.27 0.00 0.00 0.00 0.00 57.70 58.61 3fic n MET 136 Cb 0.14 -1.34 0.56 0.00 0.00 0.00 0.00 33.22 32.57 3fic n MET 136 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 175.97 176.90 3fic h GLU 137 N 0.00 0.00 0.48 0.03 4.39 -1.49 0.42 114.58 118.41 3fic h GLU 137 Ca 0.00 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.68 3fic h GLU 137 Cb 0.00 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.65 3fic h GLU 137 CO 0.00 0.00 -0.23 0.00 -1.16 0.00 0.00 179.01 177.62 3fic h ALA 138 N 0.87 -0.94 0.19 3.43 0.00 -0.37 -2.99 119.26 119.45 3fic h ALA 138 Ca 0.42 -0.14 0.01 0.00 0.00 0.00 0.00 54.91 55.20 3fic h ALA 138 Cb 2.39 0.25 -0.04 0.00 0.00 0.00 0.00 17.79 20.38 3fic h ALA 138 CO -0.00 -0.89 -0.51 -0.07 0.00 0.00 0.00 179.25 177.77 3fic h LEU 139 N -0.79 -1.51 0.00 0.00 3.38 0.64 -0.87 115.31 116.17 3fic h LEU 139 Ca -0.07 0.15 0.00 0.00 0.09 0.00 0.00 57.88 58.06 3fic h LEU 139 Cb 0.49 0.55 0.00 0.00 0.09 0.00 0.00 40.66 41.79 3fic h LEU 139 CO 0.11 -0.57 0.10 -1.14 0.09 0.00 0.00 178.44 177.02 3fic n ARG 140 N -5.50 0.00 -0.04 1.13 0.63 0.16 0.36 116.66 113.39 3fic n ARG 140 Ca -0.09 0.06 0.02 0.00 -0.92 0.00 0.00 57.85 56.92 3fic n ARG 140 Cb 0.42 -1.60 0.04 0.00 0.45 0.00 0.00 32.46 31.78 3fic n ARG 140 CO 0.00 0.00 0.00 1.04 -2.51 0.00 0.00 177.63 176.16 3fic n GLN 141 N -0.84 2.80 -1.88 -0.14 6.02 -0.33 -5.02 117.38 117.99 3fic n GLN 141 Ca 0.00 -1.73 -0.31 0.00 -0.01 0.00 0.00 57.00 54.95 3fic n GLN 141 Cb 0.10 -1.11 0.01 0.00 1.02 0.00 0.00 30.24 30.26 3fic n GLN 141 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 3fic s LEU 142 N -1.24 3.26 0.06 1.08 1.43 0.16 -5.08 118.68 118.33 3fic s LEU 142 Ca 0.08 1.47 -0.01 0.00 -1.03 0.00 0.00 54.13 54.64 3fic s LEU 142 Cb 0.06 -4.48 -0.04 0.00 0.03 0.00 0.00 46.19 41.76 3fic s LEU 142 CO 0.03 -0.94 -0.04 -0.13 0.23 0.00 0.00 176.35 175.51 3fic s ARG 143 N -5.03 0.63 0.18 1.70 1.81 -1.26 -5.01 118.95 111.97 3fic s ARG 143 Ca 0.56 -1.21 0.11 0.00 -1.72 0.00 0.00 55.73 53.47 3fic s ARG 143 Cb -0.11 0.15 -0.04 0.00 -0.45 0.00 0.00 34.95 34.49 3fic s ARG 143 CO 0.52 -0.09 -0.24 0.95 -0.68 0.00 0.00 175.30 175.75 3fic s THR 144 N -3.78 2.33 0.57 0.02 -4.23 -1.26 -4.61 115.64 104.68 3fic s THR 144 Ca 0.07 -1.99 0.29 0.00 -1.18 0.00 0.00 61.69 58.88 3fic s THR 144 Cb 0.07 -2.10 0.41 0.00 1.34 0.00 0.00 72.50 72.21 3fic s THR 144 CO -0.09 -0.09 1.90 0.50 -0.54 0.00 0.00 174.62 176.31 3fic h LYS 145 N 3.31 0.00 0.00 3.99 3.64 -1.99 -1.28 116.57 124.25 3fic h LYS 145 Ca -0.47 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.91 3fic h LYS 145 Cb 1.20 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.02 3fic h LYS 145 CO 0.46 0.00 0.00 0.00 -2.27 0.00 0.00 179.45 177.64 3fic n ALA 146 N -2.46 -0.09 0.00 5.00 0.00 -1.26 -2.83 120.51 118.87 3fic n ALA 146 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.55 3fic n ALA 146 Cb 0.73 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.18 3fic n ALA 146 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 3fic n ASP 147 N -1.10 0.00 -0.05 0.00 3.85 -1.11 0.84 116.55 118.98 3fic n ASP 147 Ca 0.00 0.00 -0.03 0.00 -0.71 0.00 0.00 54.79 54.05 3fic n ASP 147 Cb 0.00 0.00 -0.01 0.00 -1.35 0.00 0.00 41.12 39.76 3fic n ASP 147 CO 0.00 0.00 0.00 0.58 -1.01 0.00 0.00 177.20 176.77 3fic h VAL 148 N 0.00 0.00 0.00 2.12 2.07 -1.25 -3.36 116.25 115.83 3fic h VAL 148 Ca 0.00 -0.73 0.00 0.00 0.82 0.00 0.00 66.70 66.79 3fic h VAL 148 Cb 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 29.77 3fic h VAL 148 CO 0.00 0.00 0.00 1.05 0.02 0.00 0.00 177.57 178.64 3fic h GLU 149 N -0.73 0.00 -0.04 1.57 4.11 -1.02 -2.15 114.58 116.32 3fic h GLU 149 Ca 0.00 0.00 0.01 0.00 0.07 0.00 0.00 59.36 59.44 3fic h GLU 149 Cb 0.31 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.56 3fic h GLU 149 CO 0.00 0.00 0.08 -0.09 0.07 0.00 0.00 179.01 179.07 3fic h ARG 150 N 0.00 0.00 0.04 1.06 2.43 0.27 -0.53 114.38 117.65 3fic h ARG 150 Ca 0.00 0.00 -0.33 0.00 -0.81 0.00 0.00 59.98 58.84 3fic h ARG 150 Cb 0.65 0.00 -0.04 0.00 -0.42 0.00 0.00 29.97 30.16 3fic h ARG 150 CO 0.00 0.00 -1.96 1.28 -1.51 0.00 0.00 179.97 177.78 3fic n LEU 151 N -3.44 1.47 -2.00 3.80 4.77 -0.81 -4.23 117.00 116.56 3fic n LEU 151 Ca -0.02 0.25 -0.21 0.00 -0.03 0.00 0.00 56.01 56.00 3fic n LEU 151 Cb 0.17 -0.27 0.05 0.00 -2.33 0.00 0.00 43.42 41.04 3fic n LEU 151 CO 0.23 0.59 1.27 0.54 -1.33 0.00 0.00 177.39 178.69 3fic n ARG 152 N -3.16 2.03 0.00 3.23 1.74 -0.23 -4.69 116.66 115.58 3fic n ARG 152 Ca -0.26 -2.02 0.00 0.00 -0.77 0.00 0.00 57.85 54.80 3fic n ARG 152 Cb 1.06 -1.79 0.00 0.00 -1.02 0.00 0.00 32.46 30.71 3fic n ARG 152 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 3fic n LYS 153 N -0.02 0.00 -2.72 5.56 4.76 -1.05 -4.97 118.16 119.71 3fic n LYS 153 Ca 0.39 0.24 -0.10 0.00 -2.87 0.00 0.00 58.31 55.97 3fic n LYS 153 Cb 0.63 -1.21 0.04 0.00 -1.84 0.00 0.00 35.03 32.65 3fic n LYS 153 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3fic n GLY 154 N -0.58 -0.59 0.00 0.72 0.00 -1.26 -5.13 105.19 98.34 3fic n GLY 154 Ca 0.00 0.33 0.00 0.00 0.00 0.00 0.00 46.02 46.35 3fic n GLY 154 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11