#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3f1g n PHE 6 N 0.00 0.00 -3.98 2.11 3.01 -1.26 -5.04 117.46 112.30 3f1g n PHE 6 Ca 0.00 0.00 -0.21 0.00 1.01 0.00 0.00 57.45 58.25 3f1g n PHE 6 Cb 0.00 0.00 -0.03 0.00 -0.01 0.00 0.00 39.48 39.44 3f1g n PHE 6 CO 0.00 0.00 0.00 -2.00 1.01 0.00 0.00 176.76 175.77 3f1g s GLU 7 N 0.00 3.19 -0.01 -1.08 2.56 0.11 -4.92 118.70 118.55 3f1g s GLU 7 Ca 0.00 -0.92 0.01 0.00 0.00 0.00 0.00 54.97 54.07 3f1g s GLU 7 Cb 0.00 -2.74 0.01 0.00 2.00 0.00 0.00 34.13 33.39 3f1g s GLU 7 CO 0.00 0.37 -0.03 -2.00 -0.56 0.00 0.00 175.26 173.04 3f1g s GLU 8 N -3.95 0.38 -0.29 4.30 2.12 -1.26 -2.57 118.70 117.43 3f1g s GLU 8 Ca 0.35 -0.10 -0.14 0.00 0.36 0.00 0.00 54.97 55.44 3f1g s GLU 8 Cb -0.08 -0.41 0.14 0.00 0.26 0.00 0.00 34.13 34.03 3f1g s GLU 8 CO 0.28 0.03 0.85 0.21 -0.54 0.00 0.00 175.26 176.08 3f1g s LYS 9 N 0.23 0.45 0.06 4.30 2.20 -0.66 -5.02 119.74 121.31 3f1g s LYS 9 Ca -0.02 0.98 -0.09 0.00 -0.36 0.00 0.00 55.97 56.48 3f1g s LYS 9 Cb -0.05 0.41 -0.05 0.00 -1.51 0.00 0.00 37.83 36.62 3f1g s LYS 9 CO -0.00 -0.13 0.36 0.00 -0.36 0.00 0.00 175.35 175.22 3f1g s MET 10 N 2.15 3.70 -0.12 4.03 0.23 -1.26 0.32 119.30 128.35 3f1g s MET 10 Ca -0.06 0.09 0.04 0.00 -1.03 0.00 0.00 55.69 54.73 3f1g s MET 10 Cb -0.07 -3.01 -0.24 0.00 -1.53 0.00 0.00 34.83 29.99 3f1g s MET 10 CO -0.18 0.58 0.34 -0.89 -2.03 0.00 0.00 175.02 172.84 3f1g n ILE 11 N 0.90 1.64 -3.48 3.16 2.08 0.12 -4.94 119.36 118.84 3f1g n ILE 11 Ca -0.08 -0.72 -0.10 0.00 0.56 0.00 0.00 62.75 62.41 3f1g n ILE 11 Cb 0.52 -1.30 -0.02 0.00 -0.75 0.00 0.00 39.64 38.09 3f1g n ILE 11 CO 0.00 0.00 0.00 -1.48 0.56 0.00 0.00 176.55 175.63 3f1g s LEU 12 N -6.46 -0.44 -0.35 1.39 -0.00 -1.21 -5.00 118.68 106.61 3f1g s LEU 12 Ca -0.17 0.05 0.00 0.00 -0.00 0.00 0.00 54.13 54.02 3f1g s LEU 12 Cb 0.07 2.20 0.14 0.00 -0.00 0.00 0.00 46.19 48.61 3f1g s LEU 12 CO 0.77 -0.71 0.22 -0.63 -0.00 0.00 0.00 176.35 176.00 3f1g s ILE 13 N -3.12 0.14 0.16 1.48 1.09 -1.26 -1.44 121.20 118.25 3f1g s ILE 13 Ca 0.03 -1.75 -0.06 0.00 -1.10 0.00 0.00 60.65 57.77 3f1g s ILE 13 Cb -0.01 -1.11 -0.06 0.00 -1.06 0.00 0.00 42.46 40.22 3f1g s ILE 13 CO -0.09 -1.00 0.42 0.00 -0.10 0.00 0.00 174.94 174.17 3f1g s ARG 14 N 1.02 3.66 -0.47 2.79 1.70 -1.15 -4.92 118.95 121.57 3f1g s ARG 14 Ca 0.19 -0.00 -0.11 0.00 -0.47 0.00 0.00 55.73 55.34 3f1g s ARG 14 Cb -0.21 -2.81 0.11 0.00 -0.57 0.00 0.00 34.95 31.47 3f1g s ARG 14 CO -0.00 0.43 0.36 0.50 -1.08 0.00 0.00 175.30 175.51 3f1g s ARG 15 N -2.68 2.65 0.96 3.89 3.52 -1.26 -0.21 118.95 125.82 3f1g s ARG 15 Ca 0.42 -1.64 -0.16 0.00 -0.13 0.00 0.00 55.73 54.22 3f1g s ARG 15 Cb -0.12 -3.98 0.23 0.00 -1.56 0.00 0.00 34.95 29.51 3f1g s ARG 15 CO 0.24 -1.15 1.16 0.25 -0.81 0.00 0.00 175.30 174.99 3f1g n THR 16 N 5.00 0.00 -3.89 4.11 -2.24 -1.09 -4.98 114.28 111.19 3f1g n THR 16 Ca -0.10 -0.77 -0.10 0.00 -2.27 0.00 0.00 64.05 60.81 3f1g n THR 16 Cb 0.41 -1.46 0.00 0.00 -2.10 0.00 0.00 70.33 67.18 3f1g n THR 16 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3f1g s ALA 17 N -3.71 -0.39 -0.27 6.98 0.00 -1.26 -3.57 121.76 119.54 3f1g s ALA 17 Ca 0.68 -0.90 -0.25 0.00 0.00 0.00 0.00 51.96 51.48 3f1g s ALA 17 Cb -0.03 0.83 0.09 0.00 0.00 0.00 0.00 23.12 24.01 3f1g s ALA 17 CO 0.49 -0.94 0.86 -0.98 0.00 0.00 0.00 175.76 175.19 3f1g s ARG 18 N -2.72 0.70 0.54 0.00 1.70 -0.53 -4.90 118.95 113.73 3f1g s ARG 18 Ca 0.19 0.81 -0.09 0.00 -0.47 0.00 0.00 55.73 56.17 3f1g s ARG 18 Cb -0.04 0.34 -0.04 0.00 -0.57 0.00 0.00 34.95 34.64 3f1g s ARG 18 CO 0.13 -0.09 0.91 -1.64 -1.08 0.00 0.00 175.30 173.53 3f1g s MET 19 N 0.28 3.63 0.00 3.89 -1.94 -1.26 -2.63 119.30 121.26 3f1g s MET 19 Ca 0.01 0.53 0.00 0.00 -1.71 0.00 0.00 55.69 54.53 3f1g s MET 19 Cb -0.05 -2.23 0.00 0.00 2.01 0.00 0.00 34.83 34.57 3f1g s MET 19 CO -0.02 -0.36 0.00 0.94 -0.01 0.00 0.00 175.02 175.57 3f1g n GLN 20 N -2.33 0.00 -1.06 2.03 0.00 -0.95 -4.92 117.38 110.14 3f1g n GLN 20 Ca 0.04 0.00 -0.40 0.00 -0.00 0.00 0.00 57.00 56.64 3f1g n GLN 20 Cb 0.54 0.00 -0.04 0.00 0.00 0.00 0.00 30.24 30.74 3f1g n GLN 20 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 3f1g n ALA 21 N -0.00 -2.64 -0.41 1.69 0.00 -1.26 -0.76 120.51 117.13 3f1g n ALA 21 Ca 0.00 0.39 0.00 0.00 0.00 0.00 0.00 53.44 53.83 3f1g n ALA 21 Cb 0.00 -1.24 0.00 0.00 0.00 0.00 0.00 19.45 18.21 3f1g n ALA 21 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3f1g n GLY 22 N 1.22 1.63 0.00 0.00 0.00 -1.26 -4.92 105.19 101.87 3f1g n GLY 22 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.16 3f1g n GLY 22 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3f1g n GLY 23 N -2.00 -0.49 2.83 -0.02 0.00 0.06 -5.12 105.19 100.44 3f1g n GLY 23 Ca 0.00 -1.10 -0.18 0.00 0.00 0.00 0.00 46.02 44.74 3f1g n GLY 23 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3f1g s ARG 24 N -1.93 0.42 0.31 1.61 1.70 -1.26 -2.25 118.95 117.55 3f1g s ARG 24 Ca 0.00 0.05 0.07 0.00 -0.47 0.00 0.00 55.73 55.37 3f1g s ARG 24 Cb 0.00 -0.58 -0.02 0.00 -0.57 0.00 0.00 34.95 33.77 3f1g s ARG 24 CO 0.00 -0.14 0.35 1.03 -1.08 0.00 0.00 175.30 175.46 3f1g s ARG 25 N 1.07 3.00 -0.02 3.89 3.00 -1.08 -4.92 118.95 123.88 3f1g s ARG 25 Ca -0.09 -1.08 0.02 0.00 0.00 0.00 0.00 55.73 54.57 3f1g s ARG 25 Cb -0.14 -2.67 0.01 0.00 0.00 0.00 0.00 34.95 32.15 3f1g s ARG 25 CO -0.02 0.18 -0.06 -0.06 0.00 0.00 0.00 175.30 175.35 3f1g s PHE 26 N -2.19 0.67 0.46 -0.53 0.40 -1.26 -1.46 117.98 114.07 3f1g s PHE 26 Ca 0.40 -0.15 -0.01 0.00 -0.60 0.00 0.00 56.93 56.57 3f1g s PHE 26 Cb -0.08 -0.52 0.09 0.00 0.51 0.00 0.00 43.02 43.02 3f1g s PHE 26 CO 0.28 -0.10 0.63 0.54 0.70 0.00 0.00 175.22 177.27 3f1g n ARG 27 N 3.48 0.13 -3.52 0.44 1.74 -1.23 -4.66 116.66 113.04 3f1g n ARG 27 Ca -0.20 -1.67 -0.25 0.00 -0.77 0.00 0.00 57.85 54.96 3f1g n ARG 27 Cb 0.54 -0.43 -0.14 0.00 -1.02 0.00 0.00 32.46 31.41 3f1g n ARG 27 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 3f1g s PHE 28 N -1.86 0.06 0.79 -1.55 0.40 -1.00 -2.67 117.98 112.15 3f1g s PHE 28 Ca 0.41 -0.48 -0.14 0.00 -0.60 0.00 0.00 56.93 56.12 3f1g s PHE 28 Cb -0.02 -0.70 0.05 0.00 0.51 0.00 0.00 43.02 42.86 3f1g s PHE 28 CO 0.28 -0.75 1.05 0.41 0.70 0.00 0.00 175.22 176.90 3f1g n GLY 29 N 5.28 -0.33 3.15 4.36 0.00 0.70 -3.64 105.19 114.71 3f1g n GLY 29 Ca -0.05 -0.45 0.05 0.00 0.00 0.00 0.00 46.02 45.56 3f1g n GLY 29 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3f1g s ALA 30 N -2.03 -3.02 -0.19 4.61 0.00 -0.86 -2.95 121.76 117.31 3f1g s ALA 30 Ca 0.72 1.40 -0.10 0.00 0.00 0.00 0.00 51.96 53.98 3f1g s ALA 30 Cb -0.30 -2.52 -0.05 0.00 0.00 0.00 0.00 23.12 20.24 3f1g s ALA 30 CO 0.52 -1.70 0.12 -1.17 0.00 0.00 0.00 175.76 173.53 3f1g s LEU 31 N 2.90 4.18 0.01 0.00 0.20 -0.52 -1.19 118.68 124.26 3f1g s LEU 31 Ca 0.14 0.23 0.02 0.00 0.69 0.00 0.00 54.13 55.21 3f1g s LEU 31 Cb -0.09 -2.08 -0.01 0.00 -0.43 0.00 0.00 46.19 43.58 3f1g s LEU 31 CO -0.21 0.20 -0.05 -0.69 -0.29 0.00 0.00 176.35 175.31 3f1g s VAL 32 N 0.26 0.40 0.17 1.68 1.01 0.68 0.11 120.40 124.70 3f1g s VAL 32 Ca 0.08 -0.39 0.08 0.00 0.00 0.00 0.00 61.98 61.75 3f1g s VAL 32 Cb -0.11 -0.37 -0.04 0.00 0.00 0.00 0.00 36.38 35.86 3f1g s VAL 32 CO -0.01 -0.00 -0.03 -0.69 0.00 0.00 0.00 175.10 174.36 3f1g s VAL 33 N -0.38 3.57 -0.09 2.92 1.01 0.15 -0.83 120.40 126.75 3f1g s VAL 33 Ca -0.01 -1.45 -0.07 0.00 0.00 0.00 0.00 61.98 60.45 3f1g s VAL 33 Cb -0.04 -2.77 0.03 0.00 0.00 0.00 0.00 36.38 33.60 3f1g s VAL 33 CO -0.00 -0.08 0.22 -0.69 0.00 0.00 0.00 175.10 174.54 3f1g s VAL 34 N -1.66 -0.01 -0.00 2.92 1.01 -0.54 -1.66 120.40 120.45 3f1g s VAL 34 Ca 0.26 0.05 -0.28 0.00 0.00 0.00 0.00 61.98 62.01 3f1g s VAL 34 Cb -0.09 -0.32 0.10 0.00 0.00 0.00 0.00 36.38 36.06 3f1g s VAL 34 CO 0.17 0.02 0.86 -0.83 0.00 0.00 0.00 175.10 175.32 3f1g s GLY 35 N 0.48 -0.47 0.00 4.51 0.00 -1.06 -1.33 107.32 109.46 3f1g s GLY 35 Ca -0.03 1.06 0.22 0.00 0.00 0.00 0.00 44.72 45.97 3f1g s GLY 35 CO -0.02 0.40 1.60 2.09 0.00 0.00 0.00 173.10 177.17 3f1g n ASP 36 N -0.13 1.42 -3.68 1.64 5.75 -1.06 0.07 116.55 120.55 3f1g n ASP 36 Ca -0.10 -1.63 -0.23 0.00 -0.01 0.00 0.00 54.79 52.82 3f1g n ASP 36 Cb 0.62 -0.08 0.05 0.00 -1.03 0.00 0.00 41.12 40.68 3f1g n ASP 36 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 3f1g n ARG 37 N 0.15 -5.74 -0.73 0.11 1.74 -1.13 -4.85 116.66 106.21 3f1g n ARG 37 Ca 0.16 0.68 -0.02 0.00 -0.77 0.00 0.00 57.85 57.90 3f1g n ARG 37 Cb 0.30 -5.46 -0.02 0.00 -1.02 0.00 0.00 32.46 26.25 3f1g n ARG 37 CO 0.00 0.00 0.00 0.94 -1.52 0.00 0.00 177.63 177.05 3f1g n GLN 38 N -4.42 0.02 0.00 5.56 7.27 -1.22 -4.43 117.38 120.15 3f1g n GLN 38 Ca -0.19 -0.36 0.00 0.00 0.07 0.00 0.00 57.00 56.52 3f1g n GLN 38 Cb 0.63 0.49 0.00 0.00 2.41 0.00 0.00 30.24 33.77 3f1g n GLN 38 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 3f1g n GLY 39 N -0.02 2.83 3.66 1.69 0.00 -0.71 -4.97 105.19 107.67 3f1g n GLY 39 Ca -0.10 -0.81 -0.42 0.00 0.00 0.00 0.00 46.02 44.69 3f1g n GLY 39 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3f1g s ARG 40 N 0.00 4.28 0.03 1.61 1.81 -1.26 -0.86 118.95 124.56 3f1g s ARG 40 Ca 0.00 1.16 -0.07 0.00 -1.72 0.00 0.00 55.73 55.10 3f1g s ARG 40 Cb 0.00 -3.61 -0.00 0.00 -0.45 0.00 0.00 34.95 30.89 3f1g s ARG 40 CO 0.00 -0.47 0.13 0.08 -0.68 0.00 0.00 175.30 174.37 3f1g s VAL 41 N 2.62 0.12 -0.27 3.52 1.01 -0.62 -2.57 120.40 124.21 3f1g s VAL 41 Ca 0.41 -0.98 -0.20 0.00 0.00 0.00 0.00 61.98 61.21 3f1g s VAL 41 Cb -0.16 -0.84 0.08 0.00 0.00 0.00 0.00 36.38 35.45 3f1g s VAL 41 CO 0.10 -0.54 0.70 -0.83 0.00 0.00 0.00 175.10 174.53 3f1g s GLY 42 N -2.02 -0.59 0.14 4.51 0.00 -0.44 0.31 107.32 109.23 3f1g s GLY 42 Ca -0.06 2.25 0.03 0.00 0.00 0.00 0.00 44.72 46.94 3f1g s GLY 42 CO -0.04 2.12 0.23 -2.27 0.00 0.00 0.00 173.10 173.14 3f1g s LEU 43 N 1.10 4.18 -0.16 0.66 0.20 -1.25 -1.47 118.68 121.93 3f1g s LEU 43 Ca -0.06 0.09 -0.18 0.00 0.69 0.00 0.00 54.13 54.67 3f1g s LEU 43 Cb -0.05 -2.76 0.05 0.00 -0.43 0.00 0.00 46.19 42.99 3f1g s LEU 43 CO -0.11 0.07 0.49 -0.83 -0.29 0.00 0.00 176.35 175.68 3f1g s GLY 44 N -3.11 -0.37 -0.29 7.98 0.00 -0.01 -4.17 107.32 107.34 3f1g s GLY 44 Ca 0.33 1.30 -0.01 0.00 0.00 0.00 0.00 44.72 46.35 3f1g s GLY 44 CO 0.27 1.09 0.08 -0.12 0.00 0.00 0.00 173.10 174.42 3f1g s PHE 45 N 0.03 1.84 0.15 1.90 5.36 -1.26 -0.23 117.98 125.77 3f1g s PHE 45 Ca -0.02 -1.74 0.02 0.00 -0.96 0.00 0.00 56.93 54.24 3f1g s PHE 45 Cb -0.03 -1.72 -0.04 0.00 -0.34 0.00 0.00 43.02 40.89 3f1g s PHE 45 CO 0.02 -0.85 0.29 0.20 -1.46 0.00 0.00 175.22 173.42 3f1g s GLY 46 N 1.57 1.72 -0.01 13.12 0.00 -0.33 -4.86 107.32 118.53 3f1g s GLY 46 Ca 0.07 -1.02 -0.01 0.00 0.00 0.00 0.00 44.72 43.76 3f1g s GLY 46 CO -0.21 -1.02 0.04 0.54 0.00 0.00 0.00 173.10 172.45 3f1g s LYS 47 N -3.23 0.06 0.00 2.90 3.01 -1.26 -2.02 119.74 119.19 3f1g s LYS 47 Ca 0.35 0.03 0.00 0.00 -1.01 0.00 0.00 55.97 55.34 3f1g s LYS 47 Cb -0.11 0.03 0.00 0.00 -1.01 0.00 0.00 37.83 36.74 3f1g s LYS 47 CO 0.29 -0.01 0.00 0.00 0.51 0.00 0.00 175.35 176.14 3f1g n ALA 48 N 3.00 0.00 0.46 5.17 0.00 -1.24 -4.89 120.51 123.02 3f1g n ALA 48 Ca -0.13 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.31 3f1g n ALA 48 Cb 0.60 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.05 3f1g n ALA 48 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 3f1g n PRO 49 N -0.10 0.33 -3.73 0.00 -0.02 -1.26 -2.37 135.00 127.84 3f1g n PRO 49 Ca 0.00 0.00 -0.12 0.00 -2.02 0.00 0.00 63.50 61.36 3f1g n PRO 49 Cb 0.00 -1.10 -0.13 0.00 -0.02 0.00 0.00 33.50 32.25 3f1g n PRO 49 CO 0.00 0.00 0.00 -2.00 1.98 0.00 0.00 175.50 175.48 3f1g s GLU 50 N -1.39 0.22 0.10 -0.52 2.56 -1.26 -4.96 118.70 113.44 3f1g s GLU 50 Ca 0.00 0.54 -0.31 0.00 0.00 0.00 0.00 54.97 55.20 3f1g s GLU 50 Cb 0.00 -0.11 -0.12 0.00 2.00 0.00 0.00 34.13 35.89 3f1g s GLU 50 CO 0.00 -0.16 1.61 0.28 -0.56 0.00 0.00 175.26 176.43 3f1g h VAL 51 N 5.84 0.25 0.42 3.70 2.07 -1.93 0.16 116.25 126.76 3f1g h VAL 51 Ca -0.40 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.11 3f1g h VAL 51 Cb 1.16 0.25 -0.02 0.00 -1.52 0.00 0.00 31.29 31.16 3f1g h VAL 51 CO 0.37 0.00 -0.35 -0.65 0.02 0.00 0.00 177.57 176.96 3f1g h PRO 52 N -0.72 -0.74 -1.06 1.57 0.11 -1.97 -1.18 132.00 128.01 3f1g h PRO 52 Ca -0.01 0.05 0.28 0.00 0.11 0.00 0.00 66.00 66.43 3f1g h PRO 52 Cb 0.67 0.17 -0.11 0.00 0.11 0.00 0.00 31.00 31.84 3f1g h PRO 52 CO -0.10 -0.49 0.66 -0.07 -0.21 0.00 0.00 178.00 177.78 3f1g h LEU 53 N -0.77 0.50 0.07 2.35 3.38 -1.94 0.18 115.31 119.08 3f1g h LEU 53 Ca -0.04 0.11 -0.00 0.00 0.09 0.00 0.00 57.88 58.04 3f1g h LEU 53 Cb 0.67 0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.46 3f1g h LEU 53 CO -0.02 0.04 -0.03 0.00 0.09 0.00 0.00 178.44 178.52 3f1g h ALA 54 N 1.67 -0.10 -0.63 1.53 0.00 0.47 0.18 119.26 122.38 3f1g h ALA 54 Ca 0.64 -0.15 -0.04 0.00 0.00 0.00 0.00 54.91 55.36 3f1g h ALA 54 Cb 1.55 0.04 -0.03 0.00 0.00 0.00 0.00 17.79 19.35 3f1g h ALA 54 CO -0.39 -0.41 0.25 -0.39 0.00 0.00 0.00 179.25 178.31 3f1g h VAL 55 N -0.39 1.24 -0.21 0.00 -1.51 -0.16 -0.30 116.25 114.91 3f1g h VAL 55 Ca -0.01 -0.74 0.06 0.00 -1.23 0.00 0.00 66.70 64.77 3f1g h VAL 55 Cb 0.34 0.54 -0.06 0.00 -2.13 0.00 0.00 31.29 29.97 3f1g h VAL 55 CO 0.02 0.29 -0.18 -0.61 -1.23 0.00 0.00 177.57 175.85 3f1g h GLN 56 N 0.89 -0.18 -0.95 5.19 4.15 -0.58 -1.11 115.11 122.52 3f1g h GLN 56 Ca 0.21 0.01 0.05 0.00 0.77 0.00 0.00 58.65 59.69 3f1g h GLN 56 Cb 0.21 0.04 -0.06 0.00 0.21 0.00 0.00 27.48 27.88 3f1g h GLN 56 CO -0.02 -0.12 0.61 0.87 -1.93 0.00 0.00 178.83 178.24 3f1g h LYS 57 N -0.19 1.11 0.00 1.69 1.57 -0.09 0.40 116.57 121.07 3f1g h LYS 57 Ca 0.13 -0.07 -0.02 0.00 -1.87 0.00 0.00 60.65 58.82 3f1g h LYS 57 Cb 0.38 -0.25 -0.00 0.00 0.08 0.00 0.00 32.23 32.44 3f1g h LYS 57 CO -0.33 0.74 -0.09 0.00 -0.57 0.00 0.00 179.45 179.20 3f1g h ALA 58 N 1.42 1.76 -0.45 3.86 0.00 -0.42 -2.45 119.26 122.97 3f1g h ALA 58 Ca 0.40 -0.08 -0.04 0.00 0.00 0.00 0.00 54.91 55.18 3f1g h ALA 58 Cb 0.09 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 3f1g h ALA 58 CO -0.15 0.11 0.11 0.78 0.00 0.00 0.00 179.25 180.10 3f1g h GLY 59 N 0.31 0.78 0.89 0.00 0.00 0.33 0.36 103.07 105.73 3f1g h GLY 59 Ca -0.00 -0.49 -0.00 0.00 0.00 0.00 0.00 47.33 46.84 3f1g h GLY 59 CO 0.01 0.45 0.03 -1.82 0.00 0.00 0.00 176.54 175.21 3f1g h TYR 60 N 0.60 0.08 -0.36 5.60 3.20 -1.18 -2.90 116.97 122.01 3f1g h TYR 60 Ca 0.14 -0.00 -0.06 0.00 3.14 0.00 0.00 58.73 61.94 3f1g h TYR 60 Cb 0.32 -0.02 -0.02 0.00 1.54 0.00 0.00 36.73 38.55 3f1g h TYR 60 CO 0.02 0.17 -0.04 1.88 -1.64 0.00 0.00 178.16 178.54 3f1g h TYR 61 N -0.03 0.61 0.49 -3.82 0.05 -1.42 -2.97 116.97 109.88 3f1g h TYR 61 Ca 0.02 -0.08 -0.02 0.00 0.05 0.00 0.00 58.73 58.71 3f1g h TYR 61 Cb 0.12 -0.17 -0.02 0.00 1.01 0.00 0.00 36.73 37.67 3f1g h TYR 61 CO -0.03 0.62 -0.46 0.00 -1.05 0.00 0.00 178.16 177.24 3f1g h ALA 62 N 1.41 -1.13 0.00 3.88 0.00 -0.72 -2.16 119.26 120.54 3f1g h ALA 62 Ca 0.11 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 3f1g h ALA 62 Cb 0.42 0.67 -0.00 0.00 0.00 0.00 0.00 17.79 18.88 3f1g h ALA 62 CO 0.02 -1.15 -0.03 0.00 0.00 0.00 0.00 179.25 178.08 3f1g h ARG 63 N -0.93 0.00 0.00 0.00 3.08 -1.55 -3.13 114.38 111.84 3f1g h ARG 63 Ca -0.06 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.99 3f1g h ARG 63 Cb 0.80 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.85 3f1g h ARG 63 CO -0.04 0.03 0.00 -2.13 -1.07 0.00 0.00 179.97 176.77 3f1g n ARG 64 N -3.32 0.00 -2.00 0.04 3.00 -0.86 -4.52 116.66 109.00 3f1g n ARG 64 Ca -0.02 0.15 -0.43 0.00 -0.00 0.00 0.00 57.85 57.55 3f1g n ARG 64 Cb 0.17 -1.03 -0.03 0.00 0.00 0.00 0.00 32.46 31.58 3f1g n ARG 64 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.63 178.84 3f1g s ASN 65 N -1.90 6.14 0.35 6.15 2.47 -0.91 -4.96 114.94 122.28 3f1g s ASN 65 Ca 0.00 1.62 0.04 0.00 0.42 0.00 0.00 52.86 54.94 3f1g s ASN 65 Cb 0.00 -2.53 -0.03 0.00 -1.45 0.00 0.00 41.25 37.24 3f1g s ASN 65 CO 0.00 -1.45 0.16 -0.04 -3.72 0.00 0.00 177.10 172.05 3f1g s MET 66 N 5.13 1.77 -0.29 0.43 -1.94 -1.26 -3.78 119.30 119.36 3f1g s MET 66 Ca 0.78 -2.05 -0.14 0.00 -1.71 0.00 0.00 55.69 52.57 3f1g s MET 66 Cb -0.26 -0.28 0.14 0.00 2.01 0.00 0.00 34.83 36.44 3f1g s MET 66 CO 0.32 -0.49 0.87 0.54 -0.01 0.00 0.00 175.02 176.25 3f1g s VAL 67 N -3.39 -0.42 0.38 -6.03 0.11 0.15 -4.94 120.40 106.26 3f1g s VAL 67 Ca 0.31 0.00 -0.25 0.00 -2.93 0.00 0.00 61.98 59.11 3f1g s VAL 67 Cb 0.04 -1.00 -0.09 0.00 -1.53 0.00 0.00 36.38 33.80 3f1g s VAL 67 CO 0.18 0.00 1.11 -1.83 -3.33 0.00 0.00 175.10 171.23 3f1g s GLU 68 N 2.15 4.19 -0.11 1.54 4.04 -1.26 -1.59 118.70 127.66 3f1g s GLU 68 Ca -0.06 1.71 -0.01 0.00 0.04 0.00 0.00 54.97 56.65 3f1g s GLU 68 Cb -0.07 -2.71 0.03 0.00 0.02 0.00 0.00 34.13 31.40 3f1g s GLU 68 CO -0.18 -0.17 -0.03 0.08 -1.84 0.00 0.00 175.26 173.12 3f1g s VAL 69 N -1.46 0.74 -0.73 1.83 1.01 -0.04 -4.87 120.40 116.87 3f1g s VAL 69 Ca 0.55 -0.19 -0.26 0.00 0.00 0.00 0.00 61.98 62.09 3f1g s VAL 69 Cb -0.28 -0.87 -0.09 0.00 0.00 0.00 0.00 36.38 35.14 3f1g s VAL 69 CO 0.35 0.25 2.25 -2.16 0.00 0.00 0.00 175.10 175.80 3f1g s PRO 70 N 1.81 2.01 -0.23 2.72 0.04 -1.26 -4.62 135.00 135.47 3f1g s PRO 70 Ca 0.04 0.52 -0.15 0.00 0.04 0.00 0.00 61.00 61.46 3f1g s PRO 70 Cb -0.13 -4.76 -0.04 0.00 0.04 0.00 0.00 34.50 29.60 3f1g s PRO 70 CO -0.07 -3.81 0.35 -0.51 0.04 0.00 0.00 177.00 173.00 3f1g s LEU 71 N 12.68 4.10 -1.12 -3.56 1.43 -1.26 -4.08 118.68 126.87 3f1g s LEU 71 Ca 0.86 0.36 -0.08 0.00 -1.03 0.00 0.00 54.13 54.24 3f1g s LEU 71 Cb -0.12 -2.41 0.28 0.00 0.03 0.00 0.00 46.19 43.97 3f1g s LEU 71 CO 0.11 -0.09 1.26 0.00 0.23 0.00 0.00 176.35 177.85 3f1g n GLN 72 N 4.77 3.81 -2.66 1.70 3.00 -0.11 -4.60 117.38 123.30 3f1g n GLN 72 Ca -0.10 -4.44 -0.11 0.00 -0.01 0.00 0.00 57.00 52.35 3f1g n GLN 72 Cb 0.51 -2.57 0.02 0.00 0.00 0.00 0.00 30.24 28.20 3f1g n GLN 72 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.06 175.35 3f1g n ASN 73 N 2.44 -3.73 0.00 1.08 4.05 -1.26 -3.00 115.26 114.84 3f1g n ASN 73 Ca 0.25 -0.15 0.00 0.00 0.45 0.00 0.00 54.58 55.14 3f1g n ASN 73 Cb 0.37 -2.59 0.00 0.00 1.23 0.00 0.00 39.78 38.80 3f1g n ASN 73 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 3f1g n GLY 74 N -1.12 1.20 3.94 8.20 0.00 -1.26 -4.88 105.19 111.27 3f1g n GLY 74 Ca -0.05 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.74 3f1g n GLY 74 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3f1g s THR 75 N -2.44 1.94 0.11 2.61 -1.32 -1.16 0.16 115.64 115.54 3f1g s THR 75 Ca 0.00 -1.32 0.00 0.00 -1.21 0.00 0.00 61.69 59.17 3f1g s THR 75 Cb 0.00 -2.26 -0.04 0.00 -1.51 0.00 0.00 72.50 68.69 3f1g s THR 75 CO 0.00 0.00 0.26 -0.51 -2.21 0.00 0.00 174.62 172.16 3f1g s ILE 76 N -2.70 5.34 0.00 5.08 1.10 -1.26 -0.93 121.20 127.83 3f1g s ILE 76 Ca 0.44 -0.46 0.00 0.00 -0.51 0.00 0.00 60.65 60.12 3f1g s ILE 76 Cb -0.03 -3.68 0.00 0.00 0.15 0.00 0.00 42.46 38.90 3f1g s ILE 76 CO 0.28 0.03 0.75 -2.65 -2.11 0.00 0.00 174.94 171.23 3f1g n PRO 77 N -0.09 0.00 -4.37 3.50 -0.02 -1.26 -4.59 135.00 128.17 3f1g n PRO 77 Ca -0.05 0.29 -0.24 0.00 -2.02 0.00 0.00 63.50 61.48 3f1g n PRO 77 Cb 0.52 -1.25 -0.09 0.00 -0.02 0.00 0.00 33.50 32.67 3f1g n PRO 77 CO 0.00 0.00 0.00 -3.38 1.98 0.00 0.00 175.50 174.10 3f1g s HIS 78 N -2.00 2.51 0.35 6.00 -3.43 -1.26 -4.85 115.29 112.60 3f1g s HIS 78 Ca 0.00 -0.31 -0.25 0.00 -0.80 0.00 0.00 55.06 53.69 3f1g s HIS 78 Cb 0.00 -1.19 -0.10 0.00 -1.43 0.00 0.00 32.58 29.86 3f1g s HIS 78 CO 0.00 0.62 0.98 -1.83 -2.00 0.00 0.00 174.74 172.51 3f1g s GLU 79 N -3.62 4.45 -0.05 -0.38 4.04 -1.26 -4.80 118.70 117.09 3f1g s GLU 79 Ca 0.32 1.37 -0.09 0.00 0.04 0.00 0.00 54.97 56.61 3f1g s GLU 79 Cb -0.04 -2.70 0.02 0.00 0.02 0.00 0.00 34.13 31.42 3f1g s GLU 79 CO 0.18 0.15 0.21 0.96 -1.84 0.00 0.00 175.26 174.92 3f1g s ILE 80 N -1.66 0.03 -0.16 1.83 -4.36 -0.91 -5.01 121.20 110.97 3f1g s ILE 80 Ca 0.53 -0.29 0.00 0.00 -0.26 0.00 0.00 60.65 60.63 3f1g s ILE 80 Cb -0.19 -0.40 -0.00 0.00 1.25 0.00 0.00 42.46 43.12 3f1g s ILE 80 CO 0.24 -0.16 -0.15 -1.61 0.24 0.00 0.00 174.94 173.51 3f1g s GLU 81 N -0.57 3.24 -0.16 0.37 2.02 -1.26 -1.85 118.70 120.49 3f1g s GLU 81 Ca -0.07 -0.74 -0.01 0.00 0.02 0.00 0.00 54.97 54.17 3f1g s GLU 81 Cb -0.04 -2.64 0.05 0.00 0.10 0.00 0.00 34.13 31.59 3f1g s GLU 81 CO 0.01 0.03 -0.01 0.08 0.02 0.00 0.00 175.26 175.39 3f1g s VAL 82 N 0.80 0.76 -0.46 2.63 1.01 -0.87 -5.00 120.40 119.27 3f1g s VAL 82 Ca -0.05 -0.46 -0.20 0.00 0.00 0.00 0.00 61.98 61.27 3f1g s VAL 82 Cb -0.15 -1.05 0.04 0.00 0.00 0.00 0.00 36.38 35.21 3f1g s VAL 82 CO 0.00 0.03 0.60 -1.61 0.00 0.00 0.00 175.10 174.13 3f1g s GLU 83 N 1.78 3.19 -0.91 2.72 2.02 -1.26 -2.71 118.70 123.53 3f1g s GLU 83 Ca 0.01 -0.63 -0.22 0.00 0.02 0.00 0.00 54.97 54.15 3f1g s GLU 83 Cb -0.15 -4.01 0.08 0.00 0.10 0.00 0.00 34.13 30.15 3f1g s GLU 83 CO -0.07 -1.07 1.23 0.12 0.02 0.00 0.00 175.26 175.50 3f1g s PHE 84 N 2.65 2.77 0.00 1.61 5.99 -0.42 -4.87 117.98 125.70 3f1g s PHE 84 Ca 0.18 -0.95 0.00 0.00 0.00 0.00 0.00 56.93 56.16 3f1g s PHE 84 Cb -0.16 -4.47 0.00 0.00 0.00 0.00 0.00 43.02 38.39 3f1g s PHE 84 CO 0.15 -1.73 0.00 0.41 -0.00 0.00 0.00 175.22 174.06 3f1g n GLY 85 N 5.97 0.00 0.00 13.12 0.00 -1.26 -2.20 105.19 120.82 3f1g n GLY 85 Ca 0.21 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.23 3f1g n GLY 85 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3f1g n ALA 86 N 0.77 -0.09 -1.96 4.61 0.00 -1.26 -4.92 120.51 117.67 3f1g n ALA 86 Ca 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 53.44 53.19 3f1g n ALA 86 Cb 0.00 0.00 0.10 0.00 0.00 0.00 0.00 19.45 19.55 3f1g n ALA 86 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 3f1g s SER 87 N -1.84 4.34 -0.05 0.00 1.04 -0.94 -3.82 113.70 112.44 3f1g s SER 87 Ca 0.00 0.09 -0.12 0.00 0.48 0.00 0.00 55.95 56.41 3f1g s SER 87 Cb 0.00 -0.55 0.02 0.00 0.10 0.00 0.00 66.02 65.60 3f1g s SER 87 CO 0.00 -1.88 0.28 -0.75 0.98 0.00 0.00 173.24 171.87 3f1g s LYS 88 N -5.30 0.50 -0.01 4.02 2.20 -0.97 -1.31 119.74 118.87 3f1g s LYS 88 Ca 0.65 0.05 -0.01 0.00 -0.36 0.00 0.00 55.97 56.30 3f1g s LYS 88 Cb -0.07 0.23 0.01 0.00 -1.51 0.00 0.00 37.83 36.49 3f1g s LYS 88 CO 0.46 -0.11 0.03 -1.50 -0.36 0.00 0.00 175.35 173.86 3f1g s ILE 89 N -0.68 -0.02 0.10 5.43 2.07 -1.10 -1.52 121.20 125.49 3f1g s ILE 89 Ca -0.08 0.07 0.01 0.00 -1.41 0.00 0.00 60.65 59.24 3f1g s ILE 89 Cb -0.04 -0.06 -0.04 0.00 0.13 0.00 0.00 42.46 42.45 3f1g s ILE 89 CO 0.02 0.03 0.24 -0.69 -1.91 0.00 0.00 174.94 172.63 3f1g s VAL 90 N 0.36 5.30 -0.06 4.00 1.01 -0.56 -2.05 120.40 128.39 3f1g s VAL 90 Ca -0.03 -0.56 -0.02 0.00 0.00 0.00 0.00 61.98 61.36 3f1g s VAL 90 Cb -0.04 -3.65 0.04 0.00 0.00 0.00 0.00 36.38 32.73 3f1g s VAL 90 CO -0.01 0.03 0.13 -0.76 0.00 0.00 0.00 175.10 174.48 3f1g s LEU 91 N -2.85 0.56 0.04 3.92 1.43 -0.77 -3.08 118.68 117.93 3f1g s LEU 91 Ca 0.34 0.26 0.05 0.00 -1.03 0.00 0.00 54.13 53.75 3f1g s LEU 91 Cb -0.12 0.26 -0.02 0.00 0.03 0.00 0.00 46.19 46.34 3f1g s LEU 91 CO 0.28 -0.17 -0.14 -0.54 0.23 0.00 0.00 176.35 176.01 3f1g s LYS 92 N 1.46 0.93 0.42 1.70 1.02 0.29 -2.15 119.74 123.41 3f1g s LYS 92 Ca -0.06 -0.76 -0.23 0.00 0.02 0.00 0.00 55.97 54.94 3f1g s LYS 92 Cb -0.12 -0.94 -0.09 0.00 -0.52 0.00 0.00 37.83 36.16 3f1g s LYS 92 CO -0.05 0.23 1.05 -1.25 -0.92 0.00 0.00 175.35 174.40 3f1g s PRO 93 N -1.14 4.10 -0.10 -1.68 0.04 -1.26 -1.41 135.00 133.55 3f1g s PRO 93 Ca 0.01 1.48 -0.14 0.00 0.04 0.00 0.00 61.00 62.39 3f1g s PRO 93 Cb -0.08 -2.45 0.03 0.00 0.04 0.00 0.00 34.50 32.04 3f1g s PRO 93 CO 0.01 -0.19 0.36 0.00 0.04 0.00 0.00 177.00 177.22 3f1g s ALA 94 N -1.73 -0.91 0.86 8.56 0.00 -1.26 -4.71 121.76 122.58 3f1g s ALA 94 Ca 0.60 0.84 -0.12 0.00 0.00 0.00 0.00 51.96 53.27 3f1g s ALA 94 Cb -0.21 -0.38 0.10 0.00 0.00 0.00 0.00 23.12 22.63 3f1g s ALA 94 CO 0.26 -0.21 1.06 0.00 0.00 0.00 0.00 175.76 176.87 3f1g n ALA 95 N 2.31 -0.66 -1.60 0.00 0.00 -1.26 -4.69 120.51 114.61 3f1g n ALA 95 Ca -0.16 -0.44 -0.40 0.00 0.00 0.00 0.00 53.44 52.44 3f1g n ALA 95 Cb 0.57 -2.16 0.02 0.00 0.00 0.00 0.00 19.45 17.88 3f1g n ALA 95 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 3f1g n PRO 96 N -3.32 1.22 -0.51 0.00 -0.02 -1.26 -2.46 135.00 128.63 3f1g n PRO 96 Ca 0.12 0.44 0.00 0.00 -2.02 0.00 0.00 63.50 62.04 3f1g n PRO 96 Cb 0.51 -2.04 0.00 0.00 -0.02 0.00 0.00 33.50 31.95 3f1g n PRO 96 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3f1g n GLY 97 N 1.24 0.76 0.13 -1.23 0.00 -1.26 -4.94 105.19 99.89 3f1g n GLY 97 Ca 0.10 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.90 3f1g n GLY 97 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 3f1g h THR 98 N 0.00 1.35 0.00 2.61 2.02 -1.76 -3.51 112.91 113.61 3f1g h THR 98 Ca 0.00 -2.59 0.00 0.00 0.77 0.00 0.00 66.41 64.59 3f1g h THR 98 Cb 0.00 3.08 0.00 0.00 -1.74 0.00 0.00 68.15 69.49 3f1g h THR 98 CO 0.00 0.76 0.00 0.61 0.37 0.00 0.00 175.52 177.26 3f1g n GLY 99 N 1.71 -1.51 3.51 2.16 0.00 -1.12 -4.79 105.19 105.14 3f1g n GLY 99 Ca -0.17 -1.57 -0.43 0.00 0.00 0.00 0.00 46.02 43.86 3f1g n GLY 99 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3f1g s VAL 100 N -2.42 4.28 -0.39 1.61 1.01 -1.23 -1.99 120.40 121.27 3f1g s VAL 100 Ca 0.00 0.13 -0.04 0.00 0.00 0.00 0.00 61.98 62.07 3f1g s VAL 100 Cb 0.00 -4.63 0.09 0.00 0.00 0.00 0.00 36.38 31.84 3f1g s VAL 100 CO 0.00 -1.31 0.18 0.27 0.00 0.00 0.00 175.10 174.25 3f1g s ILE 101 N 4.22 3.50 0.17 2.22 -4.36 -1.08 -4.99 121.20 120.88 3f1g s ILE 101 Ca 0.29 -1.75 -0.24 0.00 -0.26 0.00 0.00 60.65 58.69 3f1g s ILE 101 Cb -0.13 -3.26 0.06 0.00 1.25 0.00 0.00 42.46 40.39 3f1g s ILE 101 CO 0.16 -0.54 0.96 0.00 0.24 0.00 0.00 174.94 175.77 3f1g s ALA 102 N 1.24 -1.59 0.87 2.27 0.00 -1.26 -3.49 121.76 119.79 3f1g s ALA 102 Ca 0.04 -0.01 -0.11 0.00 0.00 0.00 0.00 51.96 51.89 3f1g s ALA 102 Cb -0.22 0.67 0.12 0.00 0.00 0.00 0.00 23.12 23.68 3f1g s ALA 102 CO -0.02 -1.05 1.14 0.20 0.00 0.00 0.00 175.76 176.04 3f1g s GLY 103 N -3.03 1.75 0.47 0.00 0.00 -1.26 -4.78 107.32 100.47 3f1g s GLY 103 Ca 0.14 0.56 0.21 0.00 0.00 0.00 0.00 44.72 45.63 3f1g s GLY 103 CO 0.03 0.96 1.92 0.00 0.00 0.00 0.00 173.10 176.01 3f1g h ALA 104 N -1.57 2.36 0.13 3.20 0.00 -2.01 -2.45 119.26 118.91 3f1g h ALA 104 Ca -0.44 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.46 3f1g h ALA 104 Cb 1.26 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.05 3f1g h ALA 104 CO 0.44 -0.57 -0.06 0.28 0.00 0.00 0.00 179.25 179.33 3f1g h VAL 105 N 0.24 0.00 -0.14 0.00 2.07 -1.96 -3.01 116.25 113.44 3f1g h VAL 105 Ca 0.37 -0.14 0.04 0.00 0.82 0.00 0.00 66.70 67.80 3f1g h VAL 105 Cb 1.11 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 30.87 3f1g h VAL 105 CO -0.08 0.00 0.28 1.55 0.02 0.00 0.00 177.57 179.33 3f1g h PRO 106 N -0.31 0.00 0.81 1.57 0.13 -1.89 -0.55 132.00 131.76 3f1g h PRO 106 Ca -0.02 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 65.07 3f1g h PRO 106 Cb 0.14 0.00 0.01 0.00 0.13 0.00 0.00 31.00 31.27 3f1g h PRO 106 CO 0.03 0.00 -0.39 -0.09 -0.23 0.00 0.00 178.00 177.32 3f1g h ARG 107 N 0.00 -1.05 -0.82 0.86 2.43 -1.49 0.69 114.38 115.00 3f1g h ARG 107 Ca 0.07 0.07 0.18 0.00 -0.81 0.00 0.00 59.98 59.49 3f1g h ARG 107 Cb 0.62 0.24 -0.15 0.00 -0.42 0.00 0.00 29.97 30.25 3f1g h ARG 107 CO -0.00 -0.70 -0.14 0.00 -1.51 0.00 0.00 179.97 177.62 3f1g h ALA 108 N -1.49 0.65 -1.17 2.80 0.00 -0.96 0.60 119.26 119.69 3f1g h ALA 108 Ca -0.11 0.31 0.00 0.00 0.00 0.00 0.00 54.91 55.11 3f1g h ALA 108 Cb 0.84 0.58 0.00 0.00 0.00 0.00 0.00 17.79 19.21 3f1g h ALA 108 CO 0.18 -0.42 0.00 -0.89 0.00 0.00 0.00 179.25 178.12 3f1g n ILE 109 N -5.49 0.00 0.17 0.00 2.08 -1.07 -1.67 119.36 113.38 3f1g n ILE 109 Ca 0.13 1.30 0.13 0.00 0.56 0.00 0.00 62.75 64.88 3f1g n ILE 109 Cb 0.46 -2.11 0.68 0.00 -0.75 0.00 0.00 39.64 37.91 3f1g n ILE 109 CO 0.00 0.00 0.00 -0.07 0.56 0.00 0.00 176.55 177.04 3f1g h LEU 110 N 0.00 0.00 0.22 1.39 3.38 0.27 0.83 115.31 121.41 3f1g h LEU 110 Ca 0.00 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 3f1g h LEU 110 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 3f1g h LEU 110 CO 0.00 0.00 -0.11 -0.08 0.09 0.00 0.00 178.44 178.34 3f1g h GLU 111 N 0.00 -0.29 0.00 1.13 4.81 0.21 0.83 114.58 121.27 3f1g h GLU 111 Ca 0.09 0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.34 3f1g h GLU 111 Cb 0.36 0.07 0.00 0.00 0.63 0.00 0.00 28.75 29.81 3f1g h GLU 111 CO -0.00 0.09 0.00 1.28 -0.73 0.00 0.00 179.01 179.65 3f1g n LEU 112 N -5.01 0.00 0.11 1.64 4.77 -0.67 -0.77 117.00 117.07 3f1g n LEU 112 Ca -0.08 0.12 0.12 0.00 -0.03 0.00 0.00 56.01 56.14 3f1g n LEU 112 Cb 0.26 -0.12 0.18 0.00 -2.33 0.00 0.00 43.42 41.42 3f1g n LEU 112 CO 0.27 -0.06 0.48 0.00 -1.33 0.00 0.00 177.39 176.75 3f1g h ALA 113 N 2.92 0.73 0.00 -1.18 0.00 -0.43 -3.00 119.26 118.30 3f1g h ALA 113 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3f1g h ALA 113 Cb 0.06 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.85 3f1g h ALA 113 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.66 3f1g n GLY 114 N 1.25 0.75 3.80 0.00 0.00 0.05 -1.74 105.19 109.31 3f1g n GLY 114 Ca 0.03 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.72 3f1g n GLY 114 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3f1g s VAL 115 N -2.43 3.92 0.00 1.61 1.01 0.25 -4.66 120.40 120.09 3f1g s VAL 115 Ca 0.00 1.14 0.00 0.00 0.00 0.00 0.00 61.98 63.12 3f1g s VAL 115 Cb 0.00 -3.48 0.00 0.00 0.00 0.00 0.00 36.38 32.90 3f1g s VAL 115 CO 0.00 -0.31 0.00 0.35 0.00 0.00 0.00 175.10 175.14 3f1g n THR 116 N -1.10 0.00 -3.57 3.92 -2.24 0.12 -4.46 114.28 106.96 3f1g n THR 116 Ca 0.09 0.00 -0.15 0.00 -2.27 0.00 0.00 64.05 61.72 3f1g n THR 116 Cb 0.53 0.96 -0.13 0.00 -2.10 0.00 0.00 70.33 69.59 3f1g n THR 116 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 3f1g s ASP 117 N 0.00 0.77 -0.29 3.42 1.01 -1.11 -2.78 116.67 117.68 3f1g s ASP 117 Ca 0.00 0.22 -0.16 0.00 0.71 0.00 0.00 52.55 53.32 3f1g s ASP 117 Cb 0.00 0.59 0.15 0.00 1.01 0.00 0.00 42.92 44.66 3f1g s ASP 117 CO 0.00 -0.28 0.96 -0.51 0.21 0.00 0.00 175.17 175.55 3f1g s ILE 118 N 2.39 -0.08 -0.04 0.77 2.07 -0.84 -3.99 121.20 121.47 3f1g s ILE 118 Ca 0.05 0.00 -0.15 0.00 -1.41 0.00 0.00 60.65 59.14 3f1g s ILE 118 Cb -0.14 -1.00 -0.05 0.00 0.13 0.00 0.00 42.46 41.40 3f1g s ILE 118 CO -0.10 0.00 0.41 -0.76 -1.91 0.00 0.00 174.94 172.57 3f1g s LEU 119 N 1.53 4.42 0.13 8.50 1.43 -0.50 -2.64 118.68 131.54 3f1g s LEU 119 Ca -0.08 0.89 -0.22 0.00 -1.03 0.00 0.00 54.13 53.68 3f1g s LEU 119 Cb -0.04 -2.58 0.06 0.00 0.03 0.00 0.00 46.19 43.66 3f1g s LEU 119 CO -0.15 0.24 0.56 0.42 0.23 0.00 0.00 176.35 177.65 3f1g s THR 120 N -0.61 0.02 -0.06 5.49 -4.23 -1.23 0.11 115.64 115.13 3f1g s THR 120 Ca 0.23 -0.13 -0.23 0.00 -1.18 0.00 0.00 61.69 60.38 3f1g s THR 120 Cb -0.16 -1.03 0.05 0.00 1.34 0.00 0.00 72.50 72.70 3f1g s THR 120 CO 0.12 -0.07 0.52 -0.75 -0.54 0.00 0.00 174.62 173.89 3f1g s LYS 121 N -3.49 0.85 -0.56 3.99 2.20 -1.18 -4.74 119.74 116.81 3f1g s LYS 121 Ca 0.00 0.15 -0.19 0.00 -0.36 0.00 0.00 55.97 55.57 3f1g s LYS 121 Cb -0.00 0.39 0.08 0.00 -1.51 0.00 0.00 37.83 36.79 3f1g s LYS 121 CO -0.10 -0.24 0.69 -1.21 -0.36 0.00 0.00 175.35 174.13 3f1g s GLU 122 N -1.03 3.08 0.53 4.03 2.02 -1.26 -1.50 118.70 124.57 3f1g s GLU 122 Ca -0.10 -1.10 0.03 0.00 0.02 0.00 0.00 54.97 53.82 3f1g s GLU 122 Cb -0.03 -4.19 0.04 0.00 0.10 0.00 0.00 34.13 30.05 3f1g s GLU 122 CO 0.06 -1.43 0.74 -0.51 0.02 0.00 0.00 175.26 174.15 3f1g s LEU 123 N 2.76 3.34 0.00 1.80 1.02 -0.57 -4.97 118.68 122.06 3f1g s LEU 123 Ca 0.14 -0.15 0.00 0.00 0.02 0.00 0.00 54.13 54.14 3f1g s LEU 123 Cb -0.22 -2.73 0.00 0.00 0.02 0.00 0.00 46.19 43.26 3f1g s LEU 123 CO 0.09 -1.11 0.00 0.61 0.02 0.00 0.00 176.35 175.96 3f1g n GLY 124 N -2.26 1.54 1.86 -3.19 0.00 -1.26 -2.28 105.19 99.59 3f1g n GLY 124 Ca 0.09 -0.67 -0.18 0.00 0.00 0.00 0.00 46.02 45.26 3f1g n GLY 124 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 3f1g n SER 125 N 2.17 -3.27 0.00 1.61 2.88 -1.25 -4.90 113.62 110.86 3f1g n SER 125 Ca 0.00 -0.51 0.00 0.00 -1.33 0.00 0.00 58.87 57.03 3f1g n SER 125 Cb 0.00 -0.58 0.00 0.00 -0.75 0.00 0.00 64.21 62.88 3f1g n SER 125 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 3f1g n ARG 126 N -4.17 0.00 -1.62 -1.46 1.74 -1.26 -4.55 116.66 105.34 3f1g n ARG 126 Ca 0.08 -0.03 -0.64 0.00 -0.77 0.00 0.00 57.85 56.49 3f1g n ARG 126 Cb 0.35 -0.18 -0.10 0.00 -1.02 0.00 0.00 32.46 31.50 3f1g n ARG 126 CO 0.00 0.00 0.00 -1.71 -1.52 0.00 0.00 177.63 174.40 3f1g n ASN 127 N 0.00 1.34 -0.29 0.55 2.85 -1.26 -4.72 115.26 113.73 3f1g n ASN 127 Ca 0.00 1.02 -0.06 0.00 -0.11 0.00 0.00 54.58 55.43 3f1g n ASN 127 Cb 0.29 -0.94 -0.01 0.00 1.24 0.00 0.00 39.78 40.36 3f1g n ASN 127 CO 0.00 0.00 0.00 -0.65 -2.11 0.00 0.00 177.26 174.50 3f1g h PRO 128 N 6.62 -0.11 -0.37 1.20 0.11 -1.99 -0.76 132.00 136.70 3f1g h PRO 128 Ca -0.36 0.01 0.04 0.00 0.11 0.00 0.00 66.00 65.80 3f1g h PRO 128 Cb 1.37 0.03 -0.07 0.00 0.11 0.00 0.00 31.00 32.44 3f1g h PRO 128 CO 1.00 -0.07 -0.43 0.82 -0.21 0.00 0.00 178.00 179.11 3f1g h ILE 129 N -0.12 0.00 -0.36 4.15 2.04 -1.99 0.18 117.51 121.41 3f1g h ILE 129 Ca 0.24 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 66.08 3f1g h ILE 129 Cb 0.55 0.00 -0.02 0.00 -0.74 0.00 0.00 36.82 36.62 3f1g h ILE 129 CO -0.81 0.00 0.16 0.78 0.00 0.00 0.00 178.15 178.27 3f1g h ASN 130 N -0.26 0.45 -0.61 1.72 2.35 -1.70 -1.00 115.58 116.53 3f1g h ASN 130 Ca 0.06 -0.04 -0.10 0.00 -0.55 0.00 0.00 56.30 55.68 3f1g h ASN 130 Cb 0.43 -0.11 -0.02 0.00 0.05 0.00 0.00 38.32 38.67 3f1g h ASN 130 CO -0.49 0.40 0.00 0.40 -1.65 0.00 0.00 177.43 176.09 3f1g h ILE 131 N 0.51 1.27 0.00 2.81 1.08 -0.50 0.00 117.51 122.67 3f1g h ILE 131 Ca 0.13 -1.16 0.00 0.00 -0.39 0.00 0.00 64.86 63.44 3f1g h ILE 131 Cb 0.08 0.79 0.00 0.00 -3.07 0.00 0.00 36.82 34.62 3f1g h ILE 131 CO -0.02 0.42 0.00 0.00 -0.69 0.00 0.00 178.15 177.87 3f1g n ALA 132 N -2.48 -0.27 -0.33 1.87 0.00 0.58 -1.36 120.51 118.52 3f1g n ALA 132 Ca 0.03 0.00 0.25 0.00 0.00 0.00 0.00 53.44 53.72 3f1g n ALA 132 Cb 0.35 0.16 0.47 0.00 0.00 0.00 0.00 19.45 20.43 3f1g n ALA 132 CO 0.00 0.00 0.00 1.88 0.00 0.00 0.00 177.50 179.38 3f1g h TYR 133 N 0.00 0.55 -0.12 0.00 -1.99 -1.24 0.13 116.97 114.31 3f1g h TYR 133 Ca 0.00 0.05 0.01 0.00 2.00 0.00 0.00 58.73 60.79 3f1g h TYR 133 Cb 0.00 -0.07 -0.01 0.00 2.00 0.00 0.00 36.73 38.65 3f1g h TYR 133 CO -0.14 -0.43 0.06 0.00 -0.00 0.00 0.00 178.16 177.66 3f1g h ALA 134 N 1.97 0.15 -0.27 3.88 0.00 -0.38 -2.92 119.26 121.68 3f1g h ALA 134 Ca 0.75 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 55.64 3f1g h ALA 134 Cb 1.84 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 19.59 3f1g h ALA 134 CO -0.80 -0.38 0.10 1.15 0.00 0.00 0.00 179.25 179.33 3f1g h THR 135 N 0.14 1.18 -0.49 0.00 2.02 0.53 -1.78 112.91 114.52 3f1g h THR 135 Ca 0.05 -0.57 0.06 0.00 0.77 0.00 0.00 66.41 66.72 3f1g h THR 135 Cb 0.00 1.05 -0.09 0.00 -1.74 0.00 0.00 68.15 67.37 3f1g h THR 135 CO -0.03 0.19 -0.52 0.24 0.37 0.00 0.00 175.52 175.77 3f1g h MET 136 N 0.29 -0.32 -0.50 6.66 2.07 -1.44 -0.18 114.93 121.51 3f1g h MET 136 Ca 0.09 0.02 0.10 0.00 -2.07 0.00 0.00 59.70 57.84 3f1g h MET 136 Cb 0.20 0.07 -0.08 0.00 -1.87 0.00 0.00 31.60 29.92 3f1g h MET 136 CO -0.01 -0.21 0.01 0.93 1.07 0.00 0.00 176.91 178.71 3f1g h GLU 137 N -0.33 0.12 -0.22 1.72 4.39 -1.34 0.30 114.58 119.23 3f1g h GLU 137 Ca 0.11 -0.01 0.06 0.00 0.34 0.00 0.00 59.36 59.86 3f1g h GLU 137 Cb 0.58 -0.03 -0.07 0.00 -0.10 0.00 0.00 28.75 29.13 3f1g h GLU 137 CO -0.64 0.08 -0.25 0.00 -1.16 0.00 0.00 179.01 177.05 3f1g h ALA 138 N 1.44 -0.16 -0.60 3.43 0.00 -0.22 -0.36 119.26 122.79 3f1g h ALA 138 Ca 0.25 0.07 0.02 0.00 0.00 0.00 0.00 54.91 55.25 3f1g h ALA 138 Cb 0.38 0.51 -0.03 0.00 0.00 0.00 0.00 17.79 18.64 3f1g h ALA 138 CO -0.41 -0.68 0.38 -0.07 0.00 0.00 0.00 179.25 178.48 3f1g h LEU 139 N -0.27 0.65 0.00 0.00 3.38 -0.66 -1.09 115.31 117.32 3f1g h LEU 139 Ca 0.13 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.09 3f1g h LEU 139 Cb 0.46 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.07 3f1g h LEU 139 CO -0.37 0.46 0.00 -1.14 0.09 0.00 0.00 178.44 177.48 3f1g n ARG 140 N -4.70 0.00 0.00 1.13 0.63 0.05 -0.13 116.66 113.64 3f1g n ARG 140 Ca 0.05 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.98 3f1g n ARG 140 Cb 0.05 -1.43 0.00 0.00 0.45 0.00 0.00 32.46 31.53 3f1g n ARG 140 CO 0.00 0.00 0.00 1.04 -2.51 0.00 0.00 177.63 176.16 3f1g n GLN 141 N -0.91 -0.36 -2.16 -0.14 6.02 -0.43 -5.02 117.38 114.38 3f1g n GLN 141 Ca 0.00 -0.39 -0.38 0.00 -0.01 0.00 0.00 57.00 56.22 3f1g n GLN 141 Cb 0.00 -0.81 -0.00 0.00 1.02 0.00 0.00 30.24 30.45 3f1g n GLN 141 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 3f1g s LEU 142 N -0.07 4.03 -0.02 1.08 1.43 0.81 -5.04 118.68 120.91 3f1g s LEU 142 Ca 0.00 2.43 -0.00 0.00 -1.03 0.00 0.00 54.13 55.52 3f1g s LEU 142 Cb 0.00 -4.18 0.03 0.00 0.03 0.00 0.00 46.19 42.07 3f1g s LEU 142 CO 0.00 -0.99 0.04 -0.13 0.23 0.00 0.00 176.35 175.50 3f1g s ARG 143 N -2.63 -0.04 0.70 1.70 1.81 -1.26 -4.93 118.95 114.30 3f1g s ARG 143 Ca 0.63 0.21 -0.12 0.00 -1.72 0.00 0.00 55.73 54.74 3f1g s ARG 143 Cb -0.32 -0.26 0.01 0.00 -0.45 0.00 0.00 34.95 33.93 3f1g s ARG 143 CO 0.39 -0.18 1.07 0.95 -0.68 0.00 0.00 175.30 176.85 3f1g s THR 144 N 1.16 3.78 0.29 0.02 -4.23 -1.26 -4.78 115.64 110.62 3f1g s THR 144 Ca -0.08 0.63 0.03 0.00 -1.18 0.00 0.00 61.69 61.09 3f1g s THR 144 Cb -0.13 -3.26 0.29 0.00 1.34 0.00 0.00 72.50 70.74 3f1g s THR 144 CO -0.03 -0.70 1.69 0.50 -0.54 0.00 0.00 174.62 175.53 3f1g h LYS 145 N -0.60 0.34 0.12 3.99 1.63 -2.01 -1.88 116.57 118.17 3f1g h LYS 145 Ca -0.44 -0.02 -0.00 0.00 -0.85 0.00 0.00 60.65 59.33 3f1g h LYS 145 Cb 1.22 -0.08 -0.01 0.00 -0.60 0.00 0.00 32.23 32.76 3f1g h LYS 145 CO 0.55 0.23 -0.13 0.00 -3.45 0.00 0.00 179.45 176.65 3f1g h ALA 146 N 1.72 -0.83 -0.80 5.00 0.00 -1.99 -1.87 119.26 120.49 3f1g h ALA 146 Ca 0.56 -0.05 0.31 0.00 0.00 0.00 0.00 54.91 55.73 3f1g h ALA 146 Cb 1.08 0.40 -0.14 0.00 0.00 0.00 0.00 17.79 19.12 3f1g h ALA 146 CO -0.55 -0.85 0.35 -0.25 0.00 0.00 0.00 179.25 177.95 3f1g n ASP 147 N -3.13 0.21 0.00 0.00 9.92 -0.75 0.62 116.55 123.42 3f1g n ASP 147 Ca -0.03 1.33 0.00 0.00 -0.53 0.00 0.00 54.79 55.56 3f1g n ASP 147 Cb 0.12 -0.62 0.00 0.00 -0.64 0.00 0.00 41.12 39.98 3f1g n ASP 147 CO 0.00 0.00 0.00 0.52 0.13 0.00 0.00 177.20 177.85 3f1g n VAL 148 N -4.87 0.00 0.22 2.53 0.31 -0.83 -1.65 118.33 114.04 3f1g n VAL 148 Ca 0.28 1.43 0.16 0.00 -0.01 0.00 0.00 64.34 66.20 3f1g n VAL 148 Cb 0.95 -2.43 0.83 0.00 -0.91 0.00 0.00 33.84 32.27 3f1g n VAL 148 CO 0.00 0.00 0.00 1.05 -1.32 0.00 0.00 176.83 176.56 3f1g h GLU 149 N 0.00 0.00 -0.22 5.55 4.11 0.06 0.35 114.58 124.42 3f1g h GLU 149 Ca 0.00 0.00 -0.15 0.00 0.07 0.00 0.00 59.36 59.28 3f1g h GLU 149 Cb 0.00 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.24 3f1g h GLU 149 CO 0.00 0.00 -0.50 -0.09 0.07 0.00 0.00 179.01 178.49 3f1g h ARG 150 N 0.00 0.61 0.20 1.06 2.43 0.23 -0.98 114.38 117.93 3f1g h ARG 150 Ca 0.06 -0.36 -0.27 0.00 -0.81 0.00 0.00 59.98 58.61 3f1g h ARG 150 Cb 0.34 0.03 0.03 0.00 -0.42 0.00 0.00 29.97 29.95 3f1g h ARG 150 CO -0.00 0.97 -1.20 -0.07 -1.51 0.00 0.00 179.97 178.15 3f1g h LEU 151 N 0.48 0.65 0.00 3.80 3.38 -0.23 -3.30 115.31 120.09 3f1g h LEU 151 Ca 0.02 -0.93 0.00 0.00 0.09 0.00 0.00 57.88 57.06 3f1g h LEU 151 Cb 1.04 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 41.58 3f1g h LEU 151 CO 0.10 1.57 0.00 -1.14 0.09 0.00 0.00 178.44 179.06 3f1g n ARG 152 N -3.90 0.74 0.00 1.13 0.63 0.11 -3.80 116.66 111.56 3f1g n ARG 152 Ca -0.16 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.77 3f1g n ARG 152 Cb 0.97 -1.25 0.00 0.00 0.45 0.00 0.00 32.46 32.63 3f1g n ARG 152 CO 0.00 0.00 0.00 1.17 -2.51 0.00 0.00 177.63 176.29 3f1g n LYS 153 N -0.75 0.00 -2.19 -0.14 3.00 -0.38 -4.97 118.16 112.73 3f1g n LYS 153 Ca 0.09 0.02 -0.13 0.00 -0.00 0.00 0.00 58.31 58.30 3f1g n LYS 153 Cb 0.04 -0.22 -0.01 0.00 0.00 0.00 0.00 35.03 34.84 3f1g n LYS 153 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 3f1g n GLY 154 N 2.25 -0.07 0.00 3.14 0.00 -1.25 -5.11 105.19 104.16 3f1g n GLY 154 Ca 0.00 -0.36 0.00 0.00 0.00 0.00 0.00 46.02 45.66 3f1g n GLY 154 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11