#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3mbe s ILE 1 N 0.00 5.01 0.13 5.18 1.09 -1.26 -5.05 121.20 126.30 3mbe s ILE 1 Ca 0.00 1.55 -0.18 0.00 -1.10 0.00 0.00 60.65 60.93 3mbe s ILE 1 Cb 0.00 -4.09 -0.07 0.00 -1.06 0.00 0.00 42.46 37.24 3mbe s ILE 1 CO 0.00 0.22 0.60 -0.70 -0.10 0.00 0.00 174.94 174.96 3mbe s GLU 1 N 0.92 4.14 -0.13 2.79 2.12 -1.26 -5.05 118.70 122.21 3mbe s GLU 1 Ca 0.40 0.68 -0.34 0.00 0.36 0.00 0.00 54.97 56.07 3mbe s GLU 1 Cb -0.18 -3.05 0.14 0.00 0.26 0.00 0.00 34.13 31.29 3mbe s GLU 1 CO 0.19 0.53 1.29 0.00 -0.54 0.00 0.00 175.26 176.73 3mbe s ALA 2 N -1.33 -2.20 0.03 6.30 0.00 -1.26 -5.04 121.76 118.27 3mbe s ALA 2 Ca 0.35 1.26 -0.25 0.00 0.00 0.00 0.00 51.96 53.33 3mbe s ALA 2 Cb -0.17 0.04 -0.18 0.00 0.00 0.00 0.00 23.12 22.81 3mbe s ALA 2 CO 0.20 -0.80 1.46 -0.44 0.00 0.00 0.00 175.76 176.18 3mbe h ASP 3 N 2.00 -0.08 -5.05 0.00 5.19 -2.09 -3.46 116.42 112.93 3mbe h ASP 3 Ca -0.18 -0.23 -0.16 0.00 -0.62 0.00 0.00 57.03 55.84 3mbe h ASP 3 Cb 1.17 0.02 -0.18 0.00 0.18 0.00 0.00 39.33 40.52 3mbe h ASP 3 CO 0.25 0.19 -0.69 -1.00 -3.12 0.00 0.00 179.24 174.86 3mbe s HIS 4 N -5.14 0.43 -0.08 4.55 3.76 -1.26 -5.08 115.29 112.47 3mbe s HIS 4 Ca -0.15 -0.77 -0.00 0.00 -0.15 0.00 0.00 55.06 53.99 3mbe s HIS 4 Cb 0.03 -0.30 0.02 0.00 1.11 0.00 0.00 32.58 33.44 3mbe s HIS 4 CO 0.65 -0.26 -0.04 0.08 -0.85 0.00 0.00 174.74 174.31 3mbe s VAL 5 N -2.59 0.71 0.30 -0.90 1.01 -1.26 -5.02 120.40 112.65 3mbe s VAL 5 Ca -0.05 -0.11 -0.07 0.00 0.00 0.00 0.00 61.98 61.75 3mbe s VAL 5 Cb -0.02 -0.78 -0.06 0.00 0.00 0.00 0.00 36.38 35.53 3mbe s VAL 5 CO -0.05 0.31 0.59 -0.83 0.00 0.00 0.00 175.10 175.12 3mbe s GLY 6 N 1.64 1.95 -0.32 4.51 0.00 -1.26 -1.14 107.32 112.70 3mbe s GLY 6 Ca 0.02 -0.44 0.15 0.00 0.00 0.00 0.00 44.72 44.45 3mbe s GLY 6 CO -0.05 -0.31 1.06 0.69 0.00 0.00 0.00 173.10 174.49 3mbe n PHE 7 N -0.85 1.85 -1.46 1.90 3.01 -0.09 -4.97 117.46 116.85 3mbe n PHE 7 Ca -0.00 -2.60 -0.35 0.00 1.01 0.00 0.00 57.45 55.50 3mbe n PHE 7 Cb 0.54 -0.27 0.09 0.00 -0.01 0.00 0.00 39.48 39.83 3mbe n PHE 7 CO 0.00 0.00 0.00 0.71 1.01 0.00 0.00 176.76 178.48 3mbe s TYR 8 N -3.46 1.96 0.00 1.38 2.02 -1.26 -3.19 117.35 114.80 3mbe s TYR 8 Ca 0.34 1.57 0.00 0.00 -0.37 0.00 0.00 57.07 58.62 3mbe s TYR 8 Cb 0.40 -3.59 0.00 0.00 -0.40 0.00 0.00 41.96 38.37 3mbe s TYR 8 CO -0.03 -2.87 0.00 0.41 -1.57 0.00 0.00 175.55 171.49 3mbe n GLY 9 N 0.68 1.53 3.48 0.71 0.00 -1.26 -4.91 105.19 105.41 3mbe n GLY 9 Ca 0.15 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.72 3mbe n GLY 9 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3mbe n THR 10 N -2.00 0.04 -4.31 2.61 -1.04 -1.19 -4.83 114.28 103.55 3mbe n THR 10 Ca 0.00 -0.30 -0.26 0.00 -2.04 0.00 0.00 64.05 61.45 3mbe n THR 10 Cb 0.00 -1.49 -0.09 0.00 -1.82 0.00 0.00 70.33 66.93 3mbe n THR 10 CO 0.00 0.00 0.00 -0.89 -0.64 0.00 0.00 175.07 173.54 3mbe s THR 11 N 9.09 3.18 -0.23 12.58 2.01 -1.26 -1.40 115.64 139.61 3mbe s THR 11 Ca 1.16 -1.78 -0.12 0.00 0.31 0.00 0.00 61.69 61.27 3mbe s THR 11 Cb -0.86 -2.61 0.08 0.00 0.01 0.00 0.00 72.50 69.12 3mbe s THR 11 CO 0.44 -0.19 0.55 -0.69 -0.69 0.00 0.00 174.62 174.04 3mbe s VAL 12 N -1.90 -0.21 0.08 3.82 1.01 -0.36 -4.98 120.40 117.86 3mbe s VAL 12 Ca 0.27 0.06 0.03 0.00 0.00 0.00 0.00 61.98 62.34 3mbe s VAL 12 Cb -0.08 -0.81 -0.03 0.00 0.00 0.00 0.00 36.38 35.45 3mbe s VAL 12 CO 0.16 0.02 -0.10 -0.47 0.00 0.00 0.00 175.10 174.71 3mbe s TYR 13 N 1.83 0.98 0.09 5.22 6.14 -1.26 -0.19 117.35 130.16 3mbe s TYR 13 Ca -0.08 -0.59 -0.15 0.00 0.64 0.00 0.00 57.07 56.89 3mbe s TYR 13 Cb -0.08 -0.55 0.03 0.00 0.42 0.00 0.00 41.96 41.78 3mbe s TYR 13 CO -0.16 -0.02 0.35 1.14 0.64 0.00 0.00 175.55 177.50 3mbe s GLN 14 N -2.32 0.97 0.04 4.97 -2.07 -0.28 -4.98 119.66 115.99 3mbe s GLN 14 Ca 0.00 -0.65 0.00 0.00 -1.82 0.00 0.00 55.36 52.89 3mbe s GLN 14 Cb -0.06 0.42 -0.03 0.00 -1.09 0.00 0.00 33.01 32.25 3mbe s GLN 14 CO 0.00 -0.35 -0.04 -1.54 -1.32 0.00 0.00 175.29 172.04 3mbe s SER 15 N -2.55 0.53 1.02 12.60 1.04 -1.26 -2.92 113.70 122.15 3mbe s SER 15 Ca 0.01 -0.78 -0.08 0.00 0.48 0.00 0.00 55.95 55.57 3mbe s SER 15 Cb 0.01 0.13 0.11 0.00 0.10 0.00 0.00 66.02 66.38 3mbe s SER 15 CO -0.09 -0.44 0.61 -2.65 0.98 0.00 0.00 173.24 171.66 3mbe n PRO 16 N 0.75 -0.90 0.00 4.02 -0.02 -1.26 -5.01 135.00 132.59 3mbe n PRO 16 Ca -0.18 -0.95 0.00 0.00 -2.02 0.00 0.00 63.50 60.35 3mbe n PRO 16 Cb 0.58 -0.68 0.00 0.00 -0.02 0.00 0.00 33.50 33.39 3mbe n PRO 16 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3mbe n GLY 17 N 0.50 1.03 3.69 -1.23 0.00 -1.26 -4.39 105.19 103.53 3mbe n GLY 17 Ca 0.08 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.87 3mbe n GLY 17 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3mbe n ASP 18 N 0.00 -2.12 -4.49 1.61 9.92 -1.25 -4.94 116.55 115.27 3mbe n ASP 18 Ca 0.00 -0.86 -0.43 0.00 -0.53 0.00 0.00 54.79 52.97 3mbe n ASP 18 Cb 0.00 -3.94 -0.07 0.00 -0.64 0.00 0.00 41.12 36.47 3mbe n ASP 18 CO 0.00 0.00 0.00 -0.63 0.13 0.00 0.00 177.20 176.70 3mbe s ILE 19 N -3.65 4.85 0.35 0.53 1.01 -1.15 -4.97 121.20 118.17 3mbe s ILE 19 Ca 0.11 -0.11 0.05 0.00 0.00 0.00 0.00 60.65 60.70 3mbe s ILE 19 Cb -0.03 -4.23 -0.07 0.00 0.01 0.00 0.00 42.46 38.14 3mbe s ILE 19 CO 0.82 -0.67 0.03 -0.83 0.00 0.00 0.00 174.94 174.30 3mbe s GLY 20 N 2.22 2.20 -0.15 6.18 0.00 -1.26 -1.13 107.32 115.39 3mbe s GLY 20 Ca 0.20 -2.13 -0.25 0.00 0.00 0.00 0.00 44.72 42.53 3mbe s GLY 20 CO 0.16 -1.91 0.63 1.62 0.00 0.00 0.00 173.10 173.60 3mbe s GLN 21 N -3.82 0.86 -0.04 2.90 0.74 0.73 -4.97 119.66 116.06 3mbe s GLN 21 Ca 0.36 0.55 -0.00 0.00 0.05 0.00 0.00 55.36 56.31 3mbe s GLN 21 Cb 0.09 0.41 0.03 0.00 1.10 0.00 0.00 33.01 34.64 3mbe s GLN 21 CO 0.16 -0.19 0.00 -0.47 -0.55 0.00 0.00 175.29 174.24 3mbe s TYR 22 N -0.41 0.40 0.30 1.67 6.14 -1.26 -1.23 117.35 122.97 3mbe s TYR 22 Ca -0.06 -0.03 0.05 0.00 0.64 0.00 0.00 57.07 57.68 3mbe s TYR 22 Cb -0.03 -0.52 -0.02 0.00 0.42 0.00 0.00 41.96 41.81 3mbe s TYR 22 CO 0.05 -0.18 0.19 0.25 0.64 0.00 0.00 175.55 176.50 3mbe n THR 23 N 4.45 0.00 -3.78 4.34 -2.24 -0.49 -2.49 114.28 114.06 3mbe n THR 23 Ca -0.20 -2.01 -0.13 0.00 -2.27 0.00 0.00 64.05 59.45 3mbe n THR 23 Cb 0.50 0.89 -0.13 0.00 -2.10 0.00 0.00 70.33 69.49 3mbe n THR 23 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 3mbe s HIS 24 N -3.01 -0.20 0.16 4.78 3.76 -1.03 -3.39 115.29 116.36 3mbe s HIS 24 Ca 0.27 0.51 0.08 0.00 -0.15 0.00 0.00 55.06 55.78 3mbe s HIS 24 Cb 0.01 0.02 -0.04 0.00 1.11 0.00 0.00 32.58 33.68 3mbe s HIS 24 CO 0.19 -0.13 -0.18 -1.21 -0.85 0.00 0.00 174.74 172.56 3mbe s GLU 25 N 0.57 1.25 -0.11 1.40 2.02 -1.22 0.62 118.70 123.24 3mbe s GLU 25 Ca -0.04 -1.40 -0.03 0.00 0.02 0.00 0.00 54.97 53.52 3mbe s GLU 25 Cb -0.05 -1.28 0.05 0.00 0.10 0.00 0.00 34.13 32.95 3mbe s GLU 25 CO -0.03 0.26 0.13 0.12 0.02 0.00 0.00 175.26 175.76 3mbe s PHE 26 N -2.08 -0.06 -1.29 1.61 5.36 -0.84 -0.91 117.98 119.77 3mbe s PHE 26 Ca 0.15 0.27 -0.08 0.00 -0.96 0.00 0.00 56.93 56.32 3mbe s PHE 26 Cb -0.05 -0.42 0.01 0.00 -0.34 0.00 0.00 43.02 42.21 3mbe s PHE 26 CO 0.06 -0.36 1.12 -0.25 -1.46 0.00 0.00 175.22 174.34 3mbe n ASP 27 N 5.31 -5.72 0.00 6.13 8.00 -0.29 -2.47 116.55 127.51 3mbe n ASP 27 Ca -0.05 -0.53 0.00 0.00 0.71 0.00 0.00 54.79 54.92 3mbe n ASP 27 Cb 0.50 -4.87 0.00 0.00 -0.02 0.00 0.00 41.12 36.72 3mbe n ASP 27 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3mbe n GLY 28 N -1.86 0.39 3.38 0.44 0.00 -1.26 -4.98 105.19 101.31 3mbe n GLY 28 Ca -0.03 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.62 3mbe n GLY 28 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3mbe s ASP 29 N -2.25 5.11 -0.08 1.61 1.01 -1.03 -5.05 116.67 115.99 3mbe s ASP 29 Ca 0.00 -0.51 -0.37 0.00 0.71 0.00 0.00 52.55 52.38 3mbe s ASP 29 Cb 0.00 -1.90 -0.15 0.00 1.01 0.00 0.00 42.92 41.89 3mbe s ASP 29 CO 0.00 -0.13 1.66 1.21 0.21 0.00 0.00 175.17 178.12 3mbe n GLU 30 N 4.89 1.56 0.07 8.23 2.13 -1.26 -1.98 120.64 134.28 3mbe n GLU 30 Ca -0.15 0.57 -0.04 0.00 0.66 0.00 0.00 57.16 58.20 3mbe n GLU 30 Cb 0.49 -2.30 -0.02 0.00 0.27 0.00 0.00 31.44 29.89 3mbe n GLU 30 CO 0.00 0.00 0.00 1.25 -0.41 0.00 0.00 177.13 177.97 3mbe h LEU 31 N 6.92 -0.21 -7.97 4.31 5.85 -0.14 -3.43 115.31 120.64 3mbe h LEU 31 Ca -0.47 0.01 0.05 0.00 0.84 0.00 0.00 57.88 58.31 3mbe h LEU 31 Cb 1.30 0.05 -0.03 0.00 0.37 0.00 0.00 40.66 42.35 3mbe h LEU 31 CO 0.90 0.14 0.29 0.72 -0.34 0.00 0.00 178.44 180.15 3mbe s PHE 32 N -2.34 -0.05 0.00 1.25 -0.12 -1.22 -1.61 117.98 113.90 3mbe s PHE 32 Ca -0.04 -0.48 0.00 0.00 -0.05 0.00 0.00 56.93 56.36 3mbe s PHE 32 Cb 0.00 0.76 0.00 0.00 -0.63 0.00 0.00 43.02 43.15 3mbe s PHE 32 CO 0.11 -1.32 0.00 2.48 -0.05 0.00 0.00 175.22 176.44 3mbe n TYR 33 N -0.50 0.00 -3.63 3.49 0.18 -0.82 -2.46 117.16 113.42 3mbe n TYR 33 Ca -0.06 0.00 -0.27 0.00 1.88 0.00 0.00 57.90 59.45 3mbe n TYR 33 Cb 0.60 0.00 -0.17 0.00 -0.38 0.00 0.00 39.34 39.39 3mbe n TYR 33 CO 0.00 0.00 0.00 0.08 -2.08 0.00 0.00 176.86 174.86 3mbe s VAL 34 N -0.73 0.05 -0.71 -3.48 1.01 -1.04 -2.32 120.40 113.19 3mbe s VAL 34 Ca 0.00 -0.34 -0.26 0.00 0.00 0.00 0.00 61.98 61.38 3mbe s VAL 34 Cb 0.00 -0.74 -0.05 0.00 0.00 0.00 0.00 36.38 35.59 3mbe s VAL 34 CO 0.00 -0.33 2.04 -0.62 0.00 0.00 0.00 175.10 176.19 3mbe s ASP 35 N 2.07 4.93 0.51 3.32 -1.08 -0.02 -4.72 116.67 121.68 3mbe s ASP 35 Ca 0.02 0.09 0.18 0.00 -0.52 0.00 0.00 52.55 52.33 3mbe s ASP 35 Cb -0.16 -2.54 1.26 0.00 -1.46 0.00 0.00 42.92 40.02 3mbe s ASP 35 CO -0.13 -2.75 2.09 -0.07 0.52 0.00 0.00 175.17 174.83 3mbe h LEU 36 N 18.12 0.06 0.07 -1.34 3.38 -1.95 1.52 115.31 135.17 3mbe h LEU 36 Ca -0.11 -0.00 -0.22 0.00 0.09 0.00 0.00 57.88 57.63 3mbe h LEU 36 Cb 1.11 -0.01 0.02 0.00 0.09 0.00 0.00 40.66 41.87 3mbe h LEU 36 CO 1.18 0.04 -0.92 0.44 0.09 0.00 0.00 178.44 179.27 3mbe h ASP 37 N 0.07 0.68 1.01 -0.43 3.32 -1.98 -3.19 116.42 115.90 3mbe h ASP 37 Ca 0.11 -0.82 0.00 0.00 0.02 0.00 0.00 57.03 56.34 3mbe h ASP 37 Cb 0.33 -0.21 0.00 0.00 0.22 0.00 0.00 39.33 39.67 3mbe h ASP 37 CO -0.01 1.43 -0.48 0.29 -1.72 0.00 0.00 179.24 178.75 3mbe n LYS 38 N -4.01 0.29 -3.52 3.56 5.02 -0.89 -4.97 118.16 113.64 3mbe n LYS 38 Ca -0.12 0.12 -0.21 0.00 -2.02 0.00 0.00 58.31 56.08 3mbe n LYS 38 Cb 0.84 -1.72 0.08 0.00 -0.02 0.00 0.00 35.03 34.22 3mbe n LYS 38 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 3mbe n LYS 39 N -2.15 -7.37 -4.86 1.97 5.02 0.51 -5.01 118.16 106.28 3mbe n LYS 39 Ca 0.04 0.83 -0.25 0.00 -2.02 0.00 0.00 58.31 56.91 3mbe n LYS 39 Cb 0.44 -5.86 -0.16 0.00 -0.02 0.00 0.00 35.03 29.43 3mbe n LYS 39 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 3mbe s LYS 40 N -5.90 1.57 -0.87 1.97 -0.14 -1.07 -4.83 119.74 110.47 3mbe s LYS 40 Ca 0.33 -0.63 -0.25 0.00 -1.36 0.00 0.00 55.97 54.07 3mbe s LYS 40 Cb -0.15 -1.46 -0.02 0.00 -1.68 0.00 0.00 37.83 34.52 3mbe s LYS 40 CO 0.73 0.34 1.81 0.99 -0.76 0.00 0.00 175.35 178.45 3mbe s THR 41 N -0.26 3.53 -0.67 2.17 2.01 -1.26 -0.84 115.64 120.32 3mbe s THR 41 Ca 0.03 -0.30 -0.24 0.00 0.31 0.00 0.00 61.69 61.49 3mbe s THR 41 Cb -0.08 -4.23 0.05 0.00 0.01 0.00 0.00 72.50 68.25 3mbe s THR 41 CO 0.00 -1.16 1.07 -0.69 -0.69 0.00 0.00 174.62 173.15 3mbe s VAL 42 N 8.78 4.13 0.68 3.82 1.01 -0.98 -4.95 120.40 132.89 3mbe s VAL 42 Ca 0.64 0.01 -0.14 0.00 0.00 0.00 0.00 61.98 62.49 3mbe s VAL 42 Cb -0.07 -4.74 0.01 0.00 0.00 0.00 0.00 36.38 31.58 3mbe s VAL 42 CO 0.02 -1.54 1.10 0.26 0.00 0.00 0.00 175.10 174.94 3mbe s TRP 43 N 4.61 2.67 -0.07 5.22 0.52 -1.26 -1.95 118.94 128.69 3mbe s TRP 43 Ca 0.28 1.54 -0.25 0.00 0.02 0.00 0.00 56.10 57.69 3mbe s TRP 43 Cb -0.13 -3.11 -0.25 0.00 -1.15 0.00 0.00 33.47 28.83 3mbe s TRP 43 CO 0.13 -1.64 0.96 -0.09 0.02 0.00 0.00 176.95 176.34 3mbe h ARG 44 N -0.26 0.16 -5.61 4.98 9.65 -1.57 -3.45 114.38 118.29 3mbe h ARG 44 Ca -0.46 -0.20 -0.67 0.00 -1.10 0.00 0.00 59.98 57.55 3mbe h ARG 44 Cb 1.24 0.06 -0.27 0.00 -1.39 0.00 0.00 29.97 29.62 3mbe h ARG 44 CO 0.54 0.98 -0.78 -0.51 2.80 0.00 0.00 179.97 183.00 3mbe s LEU 45 N -8.37 2.63 0.07 3.80 1.43 -1.26 -5.05 118.68 111.94 3mbe s LEU 45 Ca -0.16 -0.32 -0.20 0.00 -1.03 0.00 0.00 54.13 52.42 3mbe s LEU 45 Cb 0.00 -1.57 -0.07 0.00 0.03 0.00 0.00 46.19 44.58 3mbe s LEU 45 CO 0.75 0.21 1.32 -0.65 0.23 0.00 0.00 176.35 178.21 3mbe h PRO 46 N 6.34 -0.32 -0.60 1.29 0.11 -1.98 -3.11 132.00 133.71 3mbe h PRO 46 Ca -0.30 0.02 0.14 0.00 0.11 0.00 0.00 66.00 65.97 3mbe h PRO 46 Cb 1.20 0.07 -0.11 0.00 0.11 0.00 0.00 31.00 32.27 3mbe h PRO 46 CO 0.53 -0.21 -0.08 0.39 -0.21 0.00 0.00 178.00 178.41 3mbe n GLU 47 N -4.23 -0.05 0.20 1.05 4.71 -1.26 -2.18 120.64 118.88 3mbe n GLU 47 Ca -0.03 0.92 -0.15 0.00 -0.01 0.00 0.00 57.16 57.89 3mbe n GLU 47 Cb 0.22 -1.42 -0.08 0.00 -1.01 0.00 0.00 31.44 29.15 3mbe n GLU 47 CO 0.00 0.00 0.00 0.74 0.09 0.00 0.00 177.13 177.96 3mbe h PHE 48 N 0.00 -0.42 0.00 -0.32 -1.00 -1.94 -3.19 116.94 110.07 3mbe h PHE 48 Ca 0.32 -0.01 0.00 0.00 2.81 0.00 0.00 57.97 61.09 3mbe h PHE 48 Cb 0.57 0.14 0.00 0.00 3.61 0.00 0.00 35.95 40.27 3mbe h PHE 48 CO -0.40 -0.24 0.00 0.41 -1.61 0.00 0.00 178.31 176.47 3mbe n GLY 49 N -1.21 1.75 0.09 -1.45 0.00 -0.93 -3.44 105.19 100.00 3mbe n GLY 49 Ca -0.10 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.82 3mbe n GLY 49 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3mbe n GLN 50 N 0.26 0.53 0.00 1.61 1.13 -1.20 -4.85 117.38 114.87 3mbe n GLN 50 Ca 0.00 0.21 0.00 0.00 -1.94 0.00 0.00 57.00 55.27 3mbe n GLN 50 Cb 0.38 -1.43 0.00 0.00 0.11 0.00 0.00 30.24 29.29 3mbe n GLN 50 CO 0.00 0.00 0.00 1.28 -1.44 0.00 0.00 177.06 176.90 3mbe n LEU 51 N -4.45 0.00 -4.93 1.08 4.77 -1.22 -4.83 117.00 107.42 3mbe n LEU 51 Ca -0.15 0.14 -0.25 0.00 -0.03 0.00 0.00 56.01 55.72 3mbe n LEU 51 Cb 0.53 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.61 3mbe n LEU 51 CO 0.20 0.00 0.26 0.27 -1.33 0.00 0.00 177.39 176.79 3mbe s ILE 52 N -0.29 5.04 0.08 -0.08 -5.25 -1.26 -5.11 121.20 114.35 3mbe s ILE 52 Ca 0.00 -0.23 0.02 0.00 -0.99 0.00 0.00 60.65 59.45 3mbe s ILE 52 Cb 0.00 -3.85 -0.04 0.00 2.95 0.00 0.00 42.46 41.52 3mbe s ILE 52 CO 0.00 -0.63 -0.07 -0.22 -1.79 0.00 0.00 174.94 172.23 3mbe s LEU 53 N -4.39 2.46 -0.06 0.37 2.96 -1.26 -4.42 118.68 114.33 3mbe s LEU 53 Ca 0.42 -0.91 0.05 0.00 -0.22 0.00 0.00 54.13 53.48 3mbe s LEU 53 Cb -0.10 -0.07 -0.01 0.00 0.50 0.00 0.00 46.19 46.51 3mbe s LEU 53 CO 0.38 -0.42 -0.22 0.12 -1.32 0.00 0.00 176.35 174.89 3mbe s PHE 54 N -3.17 2.21 -0.37 5.38 5.36 -1.26 -5.11 117.98 121.02 3mbe s PHE 54 Ca 0.07 -0.68 -0.23 0.00 -0.96 0.00 0.00 56.93 55.13 3mbe s PHE 54 Cb 0.02 -1.46 0.01 0.00 -0.34 0.00 0.00 43.02 41.25 3mbe s PHE 54 CO -0.04 -0.22 0.80 -1.21 -1.46 0.00 0.00 175.22 173.09 3mbe s GLU 55 N -0.04 3.73 0.57 10.12 0.41 -1.26 -4.80 118.70 127.42 3mbe s GLU 55 Ca -0.05 0.30 0.34 0.00 -0.41 0.00 0.00 54.97 55.15 3mbe s GLU 55 Cb -0.13 -3.82 1.45 0.00 -1.78 0.00 0.00 34.13 29.85 3mbe s GLU 55 CO 0.04 -0.88 1.74 -1.35 -0.49 0.00 0.00 175.26 174.32 3mbe h PRO 56 N 8.52 0.00 -0.03 0.39 0.11 -1.96 0.06 132.00 139.08 3mbe h PRO 56 Ca -0.25 0.00 -0.12 0.00 0.11 0.00 0.00 66.00 65.74 3mbe h PRO 56 Cb 1.09 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.19 3mbe h PRO 56 CO 0.92 0.00 -0.55 1.96 -0.21 0.00 0.00 178.00 180.12 3mbe h GLN 57 N 0.00 0.10 -1.30 1.05 1.08 -1.91 -2.09 115.11 112.04 3mbe h GLN 57 Ca 0.48 -0.06 0.38 0.00 -1.45 0.00 0.00 58.65 57.99 3mbe h GLN 57 Cb 2.16 0.01 -0.06 0.00 -0.05 0.00 0.00 27.48 29.53 3mbe h GLN 57 CO -0.01 0.63 0.92 0.78 -0.95 0.00 0.00 178.83 180.20 3mbe h GLY 58 N 1.55 0.23 0.00 3.46 0.00 -1.39 -1.82 103.07 105.10 3mbe h GLY 58 Ca -0.00 -0.03 -0.03 0.00 0.00 0.00 0.00 47.33 47.26 3mbe h GLY 58 CO 0.08 -0.04 -1.33 0.61 0.00 0.00 0.00 176.54 175.85 3mbe n GLY 59 N -1.74 -0.30 0.26 4.60 0.00 -1.03 -3.83 105.19 103.15 3mbe n GLY 59 Ca 0.29 -0.14 0.18 0.00 0.00 0.00 0.00 46.02 46.35 3mbe n GLY 59 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3mbe h LEU 60 N 0.00 0.00 0.07 0.99 3.38 -0.91 -1.08 115.31 117.76 3mbe h LEU 60 Ca -0.05 0.00 -0.23 0.00 0.09 0.00 0.00 57.88 57.70 3mbe h LEU 60 Cb 0.60 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.34 3mbe h LEU 60 CO 0.00 0.00 -1.18 1.56 0.09 0.00 0.00 178.44 178.91 3mbe h GLN 61 N 0.00 0.14 -0.65 1.13 4.20 -1.52 -3.25 115.11 115.17 3mbe h GLN 61 Ca 0.00 -0.25 0.13 0.00 0.06 0.00 0.00 58.65 58.59 3mbe h GLN 61 Cb 0.22 0.09 -0.09 0.00 0.30 0.00 0.00 27.48 28.00 3mbe h GLN 61 CO 0.00 1.12 0.15 -0.91 -0.67 0.00 0.00 178.83 178.52 3mbe h ASN 62 N -0.58 0.03 -0.17 1.46 4.21 -1.58 0.21 115.58 119.16 3mbe h ASN 62 Ca -0.27 0.12 0.05 0.00 1.21 0.00 0.00 56.30 57.40 3mbe h ASN 62 Cb 1.54 0.16 -0.01 0.00 -1.12 0.00 0.00 38.32 38.89 3mbe h ASN 62 CO -0.02 0.01 0.14 0.40 -1.29 0.00 0.00 177.43 176.67 3mbe h ILE 63 N 0.28 0.74 0.12 2.81 1.08 -1.33 -1.19 117.51 120.02 3mbe h ILE 63 Ca 0.35 0.00 -0.29 0.00 -0.39 0.00 0.00 64.86 64.52 3mbe h ILE 63 Cb 0.53 0.90 0.02 0.00 -3.07 0.00 0.00 36.82 35.20 3mbe h ILE 63 CO -0.43 0.00 -1.24 0.00 -0.69 0.00 0.00 178.15 175.80 3mbe h ALA 64 N 1.88 0.04 -0.31 1.87 0.00 -0.66 -2.80 119.26 119.28 3mbe h ALA 64 Ca 0.08 -0.79 -0.08 0.00 0.00 0.00 0.00 54.91 54.12 3mbe h ALA 64 Cb 0.36 0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.22 3mbe h ALA 64 CO -0.00 0.75 -0.13 0.00 0.00 0.00 0.00 179.25 179.87 3mbe h ALA 65 N 0.38 1.20 0.00 0.00 0.00 -0.27 -2.72 119.26 117.85 3mbe h ALA 65 Ca -0.17 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.45 3mbe h ALA 65 Cb 1.91 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 19.56 3mbe h ALA 65 CO 0.23 0.51 -0.01 0.39 0.00 0.00 0.00 179.25 180.37 3mbe n GLU 66 N -4.19 0.19 0.06 0.00 -0.58 -0.55 -0.46 120.64 115.11 3mbe n GLU 66 Ca 0.01 0.16 -0.05 0.00 -0.42 0.00 0.00 57.16 56.86 3mbe n GLU 66 Cb 0.33 -1.72 -0.09 0.00 -0.57 0.00 0.00 31.44 29.39 3mbe n GLU 66 CO 0.00 0.00 0.00 -0.22 -0.48 0.00 0.00 177.13 176.43 3mbe h LYS 67 N 0.00 0.00 0.04 3.49 3.64 -1.21 -2.89 116.57 119.63 3mbe h LYS 67 Ca 0.00 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.38 3mbe h LYS 67 Cb 0.67 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.49 3mbe h LYS 67 CO 0.00 0.73 -0.02 1.25 -2.27 0.00 0.00 179.45 179.14 3mbe h HIS 68 N 0.00 -0.05 -1.00 1.91 2.76 -1.22 -3.24 115.15 114.31 3mbe h HIS 68 Ca -0.08 -0.00 0.10 0.00 -2.20 0.00 0.00 60.37 58.20 3mbe h HIS 68 Cb 1.72 0.01 -0.08 0.00 1.55 0.00 0.00 27.41 30.61 3mbe h HIS 68 CO 0.00 0.54 0.64 -0.91 -1.30 0.00 0.00 177.93 176.90 3mbe h ASN 69 N -0.95 0.97 0.29 3.26 2.35 -0.90 -2.17 115.58 118.42 3mbe h ASN 69 Ca -0.00 0.04 0.00 0.00 -0.55 0.00 0.00 56.30 55.78 3mbe h ASN 69 Cb 0.61 -0.16 -0.04 0.00 0.05 0.00 0.00 38.32 38.78 3mbe h ASN 69 CO 0.01 0.55 -0.51 0.25 -1.65 0.00 0.00 177.43 176.08 3mbe h LEU 70 N 1.06 -1.46 -1.37 1.61 5.85 -1.62 -2.33 115.31 117.05 3mbe h LEU 70 Ca 0.48 0.14 0.26 0.00 0.84 0.00 0.00 57.88 59.59 3mbe h LEU 70 Cb 0.38 0.52 -0.09 0.00 0.37 0.00 0.00 40.66 41.84 3mbe h LEU 70 CO -0.24 -0.60 0.66 1.23 -0.34 0.00 0.00 178.44 179.15 3mbe h GLY 71 N -0.85 1.19 0.80 3.75 0.00 -1.42 0.70 103.07 107.24 3mbe h GLY 71 Ca -0.03 -0.21 -0.02 0.00 0.00 0.00 0.00 47.33 47.08 3mbe h GLY 71 CO -0.19 -0.12 -0.17 -2.22 0.00 0.00 0.00 176.54 173.85 3mbe h ILE 72 N 0.41 0.67 -0.39 2.60 2.04 -1.20 -3.06 117.51 118.58 3mbe h ILE 72 Ca 0.58 -0.36 -0.12 0.00 1.00 0.00 0.00 64.86 65.96 3mbe h ILE 72 Cb 1.44 0.86 -0.01 0.00 -0.74 0.00 0.00 36.82 38.37 3mbe h ILE 72 CO -0.28 0.07 -0.22 -0.07 0.00 0.00 0.00 178.15 177.64 3mbe h LEU 73 N -0.67 0.87 -0.82 1.44 -0.00 -0.83 -0.79 115.31 114.52 3mbe h LEU 73 Ca -0.05 -0.42 0.20 0.00 -0.00 0.00 0.00 57.88 57.62 3mbe h LEU 73 Cb 0.47 -0.24 -0.14 0.00 -0.00 0.00 0.00 40.66 40.75 3mbe h LEU 73 CO 0.08 1.10 0.11 0.74 -0.00 0.00 0.00 178.44 180.46 3mbe h THR 74 N 0.64 0.32 0.02 0.22 2.02 -0.97 0.35 112.91 115.52 3mbe h THR 74 Ca 0.08 -0.05 -0.11 0.00 0.77 0.00 0.00 66.41 67.10 3mbe h THR 74 Cb 0.79 0.16 0.01 0.00 -1.74 0.00 0.00 68.15 67.37 3mbe h THR 74 CO 0.06 0.03 -0.44 0.50 0.37 0.00 0.00 175.52 176.04 3mbe h LYS 75 N 0.15 0.27 0.00 6.66 3.64 -1.40 -0.78 116.57 125.11 3mbe h LYS 75 Ca 0.48 -0.31 0.00 0.00 -1.27 0.00 0.00 60.65 59.55 3mbe h LYS 75 Cb 0.90 0.09 0.00 0.00 -0.41 0.00 0.00 32.23 32.81 3mbe h LYS 75 CO -0.67 1.03 0.00 -0.09 -2.27 0.00 0.00 179.45 177.46 3mbe h ARG 76 N -0.36 0.00 -0.88 1.90 2.43 -0.15 -1.43 114.38 115.88 3mbe h ARG 76 Ca -0.06 0.00 -0.61 0.00 -0.81 0.00 0.00 59.98 58.50 3mbe h ARG 76 Cb 1.20 0.00 -0.34 0.00 -0.42 0.00 0.00 29.97 30.41 3mbe h ARG 76 CO 0.09 0.00 0.17 -1.13 -1.51 0.00 0.00 179.97 177.59 3mbe n SER 77 N -2.71 6.43 -0.71 -3.80 3.41 0.02 -4.91 113.62 111.35 3mbe n SER 77 Ca -0.01 -3.77 -0.06 0.00 -0.26 0.00 0.00 58.87 54.76 3mbe n SER 77 Cb 0.11 -0.71 -0.03 0.00 -0.26 0.00 0.00 64.21 63.32 3mbe n SER 77 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 3mbe n ASN 78 N -0.84 -3.00 -1.61 4.04 3.02 -0.54 -1.51 115.26 114.82 3mbe n ASN 78 Ca 0.55 0.15 -0.03 0.00 -0.03 0.00 0.00 54.58 55.22 3mbe n ASN 78 Cb 0.81 -2.46 0.01 0.00 -0.61 0.00 0.00 39.78 37.53 3mbe n ASN 78 CO 0.00 0.00 0.00 0.49 -2.62 0.00 0.00 177.26 175.13 3mbe n PHE 79 N -1.41 -0.38 -2.93 3.10 3.01 -0.30 -5.02 117.46 113.53 3mbe n PHE 79 Ca -0.06 0.15 -0.42 0.00 1.01 0.00 0.00 57.45 58.12 3mbe n PHE 79 Cb 0.31 -2.65 -0.05 0.00 -0.01 0.00 0.00 39.48 37.09 3mbe n PHE 79 CO 0.00 0.00 0.00 0.99 1.01 0.00 0.00 176.76 178.76 3mbe s THR 80 N -3.06 4.67 0.95 4.37 2.01 -0.57 -5.05 115.64 118.97 3mbe s THR 80 Ca 0.04 0.81 -0.12 0.00 0.31 0.00 0.00 61.69 62.73 3mbe s THR 80 Cb -0.01 -4.27 0.16 0.00 0.01 0.00 0.00 72.50 68.39 3mbe s THR 80 CO 0.12 -0.55 1.09 -2.84 -0.69 0.00 0.00 174.62 171.75 3mbe s PRO 81 N 3.26 0.78 0.43 4.92 0.02 -1.26 -5.03 135.00 138.12 3mbe s PRO 81 Ca 0.32 0.72 -0.09 0.00 0.02 0.00 0.00 61.00 61.97 3mbe s PRO 81 Cb -0.12 -1.76 -0.06 0.00 0.02 0.00 0.00 34.50 32.58 3mbe s PRO 81 CO 0.19 -2.54 0.79 0.00 -0.33 0.00 0.00 177.00 175.11 3mbe s ALA 82 N -2.91 3.34 -0.38 -1.55 0.00 -1.26 -5.06 121.76 113.95 3mbe s ALA 82 Ca 0.65 -0.25 -0.14 0.00 0.00 0.00 0.00 51.96 52.22 3mbe s ALA 82 Cb -0.19 -2.70 0.01 0.00 0.00 0.00 0.00 23.12 20.24 3mbe s ALA 82 CO 0.58 -0.11 0.26 0.99 0.00 0.00 0.00 175.76 177.48 3mbe s THR 83 N -2.49 5.12 0.15 0.00 2.01 -1.26 -4.99 115.64 114.19 3mbe s THR 83 Ca 0.51 -0.57 -0.31 0.00 0.31 0.00 0.00 61.69 61.63 3mbe s THR 83 Cb -0.10 -3.78 -0.11 0.00 0.01 0.00 0.00 72.50 68.52 3mbe s THR 83 CO 0.35 -0.20 1.76 0.20 -0.69 0.00 0.00 174.62 176.04 3mbe s ASN 84 N 1.67 6.44 0.07 3.53 0.01 -1.26 -4.62 114.94 120.77 3mbe s ASN 84 Ca 0.05 2.76 0.07 0.00 -0.71 0.00 0.00 52.86 55.03 3mbe s ASN 84 Cb -0.19 -2.58 -0.04 0.00 0.41 0.00 0.00 41.25 38.86 3mbe s ASN 84 CO 0.09 -0.97 -0.12 -1.61 -1.51 0.00 0.00 177.10 172.98 3mbe s GLU 85 N 2.05 2.15 0.03 -0.60 2.02 0.65 -4.81 118.70 120.19 3mbe s GLU 85 Ca 0.77 -0.98 -0.24 0.00 0.02 0.00 0.00 54.97 54.54 3mbe s GLU 85 Cb -0.47 -2.29 -0.05 0.00 0.10 0.00 0.00 34.13 31.42 3mbe s GLU 85 CO 0.34 0.53 0.73 0.00 0.02 0.00 0.00 175.26 176.88 3mbe s ALA 86 N -1.09 3.39 0.32 5.21 0.00 -1.26 -4.23 121.76 124.10 3mbe s ALA 86 Ca 0.18 0.23 -0.26 0.00 0.00 0.00 0.00 51.96 52.11 3mbe s ALA 86 Cb -0.11 -2.95 -0.10 0.00 0.00 0.00 0.00 23.12 19.97 3mbe s ALA 86 CO 0.10 0.08 0.98 -2.14 0.00 0.00 0.00 175.76 174.77 3mbe s PRO 87 N -0.04 4.54 -0.25 0.00 0.02 -1.15 -4.74 135.00 133.38 3mbe s PRO 87 Ca 0.37 1.43 0.03 0.00 0.02 0.00 0.00 61.00 62.84 3mbe s PRO 87 Cb -0.20 -2.85 0.06 0.00 0.02 0.00 0.00 34.50 31.53 3mbe s PRO 87 CO 0.22 0.22 -0.11 -0.65 -0.33 0.00 0.00 177.00 176.35 3mbe s GLN 88 N -1.98 2.32 0.27 5.54 1.11 0.00 -4.88 119.66 122.05 3mbe s GLN 88 Ca 0.50 -1.29 -0.18 0.00 0.01 0.00 0.00 55.36 54.40 3mbe s GLN 88 Cb -0.21 -2.88 -0.09 0.00 -1.01 0.00 0.00 33.01 28.82 3mbe s GLN 88 CO 0.27 -0.54 0.73 0.00 0.01 0.00 0.00 175.29 175.76 3mbe s ALA 89 N 1.13 3.37 -0.32 6.09 0.00 -1.26 -2.05 121.76 128.72 3mbe s ALA 89 Ca -0.07 0.11 0.00 0.00 0.00 0.00 0.00 51.96 52.00 3mbe s ALA 89 Cb -0.19 -2.80 0.14 0.00 0.00 0.00 0.00 23.12 20.27 3mbe s ALA 89 CO -0.06 0.33 0.30 0.99 0.00 0.00 0.00 175.76 177.32 3mbe s THR 90 N -1.73 -0.30 0.31 0.00 2.01 0.29 -4.98 115.64 111.24 3mbe s THR 90 Ca 0.48 -0.79 -0.21 0.00 0.31 0.00 0.00 61.69 61.47 3mbe s THR 90 Cb -0.14 -0.90 -0.09 0.00 0.01 0.00 0.00 72.50 71.38 3mbe s THR 90 CO 0.19 -0.58 0.84 -0.69 -0.69 0.00 0.00 174.62 173.70 3mbe s VAL 91 N 1.91 4.43 -0.20 3.82 1.01 -1.26 -2.31 120.40 127.80 3mbe s VAL 91 Ca 0.13 1.45 -0.31 0.00 0.00 0.00 0.00 61.98 63.24 3mbe s VAL 91 Cb -0.15 -3.82 0.15 0.00 0.00 0.00 0.00 36.38 32.56 3mbe s VAL 91 CO -0.20 0.02 1.17 0.72 0.00 0.00 0.00 175.10 176.81 3mbe s PHE 92 N -1.76 -0.19 0.56 5.22 -0.12 -0.71 -5.00 117.98 115.99 3mbe s PHE 92 Ca 0.51 0.24 -0.17 0.00 -0.05 0.00 0.00 56.93 57.46 3mbe s PHE 92 Cb -0.15 0.49 -0.05 0.00 -0.63 0.00 0.00 43.02 42.68 3mbe s PHE 92 CO 0.20 -0.22 1.06 -2.14 -0.05 0.00 0.00 175.22 174.07 3mbe s PRO 93 N -1.67 3.45 0.19 1.99 0.02 -1.26 -1.00 135.00 136.72 3mbe s PRO 93 Ca 0.06 1.30 0.18 0.00 0.02 0.00 0.00 61.00 62.55 3mbe s PRO 93 Cb -0.01 -2.05 -0.00 0.00 0.02 0.00 0.00 34.50 32.46 3mbe s PRO 93 CO -0.04 -0.72 1.15 -0.22 -0.33 0.00 0.00 177.00 176.84 3mbe h LYS 94 N 0.84 0.00 -3.66 5.54 3.64 -1.39 -3.46 116.57 118.09 3mbe h LYS 94 Ca -0.48 0.00 -0.07 0.00 -1.27 0.00 0.00 60.65 58.83 3mbe h LYS 94 Cb 1.23 0.00 -0.13 0.00 -0.41 0.00 0.00 32.23 32.92 3mbe h LYS 94 CO 0.58 0.30 -0.23 -1.54 -2.27 0.00 0.00 179.45 176.28 3mbe s SER 95 N -6.00 -0.04 -0.47 4.20 1.04 -1.26 -5.02 113.70 106.15 3mbe s SER 95 Ca 0.01 -0.60 -0.43 0.00 0.48 0.00 0.00 55.95 55.41 3mbe s SER 95 Cb 0.08 0.43 -0.18 0.00 0.10 0.00 0.00 66.02 66.45 3mbe s SER 95 CO 0.77 -0.84 1.86 -2.65 0.98 0.00 0.00 173.24 173.36 3mbe n PRO 96 N -0.18 0.00 -2.22 4.02 -0.02 -1.26 -4.83 135.00 130.51 3mbe n PRO 96 Ca -0.13 0.00 -0.43 0.00 -2.02 0.00 0.00 63.50 60.92 3mbe n PRO 96 Cb 0.63 -1.42 -0.02 0.00 -0.02 0.00 0.00 33.50 32.66 3mbe n PRO 96 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3mbe s VAL 97 N 4.76 3.83 -0.06 -1.45 1.01 -1.26 -5.00 120.40 122.24 3mbe s VAL 97 Ca 1.09 0.93 0.05 0.00 0.00 0.00 0.00 61.98 64.05 3mbe s VAL 97 Cb -1.42 -3.89 -0.01 0.00 0.00 0.00 0.00 36.38 31.06 3mbe s VAL 97 CO 0.68 -0.41 -0.21 -0.76 0.00 0.00 0.00 175.10 174.40 3mbe s LEU 98 N 5.10 1.99 0.27 3.92 1.43 -1.26 -5.11 118.68 125.02 3mbe s LEU 98 Ca 0.66 -0.44 -0.30 0.00 -1.03 0.00 0.00 54.13 53.02 3mbe s LEU 98 Cb -0.21 -1.18 -0.13 0.00 0.03 0.00 0.00 46.19 44.70 3mbe s LEU 98 CO 0.28 0.19 1.44 0.18 0.23 0.00 0.00 176.35 178.67 3mbe n LEU 99 N 3.14 3.56 -3.63 1.79 4.77 -1.26 -2.56 117.00 122.81 3mbe n LEU 99 Ca -0.18 1.16 -0.23 0.00 -0.03 0.00 0.00 56.01 56.72 3mbe n LEU 99 Cb 0.52 -1.49 0.07 0.00 -2.33 0.00 0.00 43.42 40.19 3mbe n LEU 99 CO 0.25 -0.30 0.15 0.61 -1.33 0.00 0.00 177.39 176.78 3mbe n GLY 100 N 1.89 -0.46 2.75 -0.72 0.00 -0.91 -4.93 105.19 102.80 3mbe n GLY 100 Ca 0.09 0.19 -0.23 0.00 0.00 0.00 0.00 46.02 46.08 3mbe n GLY 100 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3mbe s GLN 101 N -6.10 0.49 -0.30 1.61 -1.52 -1.06 -4.96 119.66 107.82 3mbe s GLN 101 Ca 0.39 0.11 -0.40 0.00 -1.95 0.00 0.00 55.36 53.51 3mbe s GLN 101 Cb -0.18 -1.00 -0.15 0.00 -0.22 0.00 0.00 33.01 31.46 3mbe s GLN 101 CO 0.76 -0.34 1.82 -2.30 -0.25 0.00 0.00 175.29 174.98 3mbe n PRO 102 N 5.17 1.11 -1.69 2.91 -0.02 -1.26 -4.21 135.00 137.01 3mbe n PRO 102 Ca -0.07 0.39 0.00 0.00 -2.02 0.00 0.00 63.50 61.81 3mbe n PRO 102 Cb 0.50 -2.13 0.00 0.00 -0.02 0.00 0.00 33.50 31.85 3mbe n PRO 102 CO 0.00 0.00 0.00 -1.71 1.98 0.00 0.00 175.50 175.77 3mbe n ASN 103 N 6.05 1.15 -3.84 2.55 2.85 -0.34 -4.99 115.26 118.70 3mbe n ASN 103 Ca 0.29 -0.85 -0.14 0.00 -0.11 0.00 0.00 54.58 53.78 3mbe n ASN 103 Cb 0.13 0.00 -0.15 0.00 1.24 0.00 0.00 39.78 41.00 3mbe n ASN 103 CO 0.00 0.00 0.00 -0.89 -2.11 0.00 0.00 177.26 174.26 3mbe s THR 104 N -1.18 0.03 -0.37 -0.44 2.01 -1.26 -1.79 115.64 112.64 3mbe s THR 104 Ca 0.00 0.07 -0.08 0.00 0.31 0.00 0.00 61.69 61.99 3mbe s THR 104 Cb 0.00 -0.09 0.05 0.00 0.01 0.00 0.00 72.50 72.47 3mbe s THR 104 CO 0.00 0.06 0.17 -0.22 -0.69 0.00 0.00 174.62 173.93 3mbe s LEU 105 N 0.49 4.66 0.22 4.42 0.20 0.60 -0.84 118.68 128.43 3mbe s LEU 105 Ca -0.04 -1.28 -0.18 0.00 0.69 0.00 0.00 54.13 53.32 3mbe s LEU 105 Cb -0.06 -1.92 -0.08 0.00 -0.43 0.00 0.00 46.19 43.70 3mbe s LEU 105 CO -0.01 -0.41 0.69 -0.63 -0.29 0.00 0.00 176.35 175.70 3mbe s ILE 106 N 1.41 4.65 -0.36 6.68 1.01 -0.17 -0.87 121.20 133.54 3mbe s ILE 106 Ca 0.01 1.12 0.01 0.00 0.00 0.00 0.00 60.65 61.78 3mbe s ILE 106 Cb -0.21 -3.79 0.11 0.00 0.01 0.00 0.00 42.46 38.59 3mbe s ILE 106 CO 0.03 0.15 0.15 0.00 0.00 0.00 0.00 174.94 175.26 3mbe s PHE 108 N 1.06 3.41 -0.08 0.00 5.36 -0.98 -2.41 117.98 124.34 3mbe s PHE 108 Ca 0.13 1.18 0.03 0.00 -0.96 0.00 0.00 56.93 57.31 3mbe s PHE 108 Cb -0.20 -2.96 -0.02 0.00 -0.34 0.00 0.00 43.02 39.50 3mbe s PHE 108 CO -0.13 -0.22 -0.18 0.08 -1.46 0.00 0.00 175.22 173.30 3mbe s VAL 109 N 2.08 2.66 0.29 3.12 1.01 -0.30 -0.55 120.40 128.71 3mbe s VAL 109 Ca 0.36 -0.84 0.03 0.00 0.00 0.00 0.00 61.98 61.52 3mbe s VAL 109 Cb -0.16 -2.04 -0.06 0.00 0.00 0.00 0.00 36.38 34.12 3mbe s VAL 109 CO 0.12 0.56 0.08 -0.62 0.00 0.00 0.00 175.10 175.24 3mbe s ASP 110 N -0.16 1.79 -0.74 3.32 -1.08 -0.87 -1.78 116.67 117.16 3mbe s ASP 110 Ca -0.02 -1.38 -0.02 0.00 -0.52 0.00 0.00 52.55 50.61 3mbe s ASP 110 Cb -0.14 0.04 0.00 0.00 -1.46 0.00 0.00 42.92 41.36 3mbe s ASP 110 CO 0.04 -0.67 0.66 -3.20 0.52 0.00 0.00 175.17 172.52 3mbe n ASN 111 N -0.58 -6.75 -4.59 -0.34 5.15 -1.16 -0.82 115.26 106.18 3mbe n ASN 111 Ca -0.01 -0.34 -0.31 0.00 -0.60 0.00 0.00 54.58 53.32 3mbe n ASN 111 Cb 0.66 -3.99 -0.10 0.00 -0.53 0.00 0.00 39.78 35.83 3mbe n ASN 111 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 3mbe s ILE 112 N -2.93 3.54 0.00 -1.44 1.01 -0.89 -2.92 121.20 117.57 3mbe s ILE 112 Ca 0.03 -0.98 0.00 0.00 0.00 0.00 0.00 60.65 59.69 3mbe s ILE 112 Cb -0.01 -2.59 0.00 0.00 0.01 0.00 0.00 42.46 39.88 3mbe s ILE 112 CO 0.80 0.27 0.00 0.33 0.00 0.00 0.00 174.94 176.35 3mbe n PHE 113 N 1.18 0.00 -1.40 3.97 7.35 -1.26 -2.51 117.46 124.80 3mbe n PHE 113 Ca -0.14 0.00 -0.35 0.00 -0.76 0.00 0.00 57.45 56.19 3mbe n PHE 113 Cb 0.52 0.00 0.10 0.00 0.35 0.00 0.00 39.48 40.45 3mbe n PHE 113 CO 0.00 0.00 0.00 -2.30 -0.76 0.00 0.00 176.76 173.70 3mbe n PRO 114 N 0.00 0.61 -0.81 -7.13 -0.02 -1.26 -0.25 135.00 126.14 3mbe n PRO 114 Ca 0.00 0.27 -0.29 0.00 -2.02 0.00 0.00 63.50 61.46 3mbe n PRO 114 Cb 0.00 -2.42 -0.03 0.00 -0.02 0.00 0.00 33.50 31.02 3mbe n PRO 114 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 3mbe n PRO 115 N -2.42 1.58 -3.47 0.52 -0.02 -1.26 -4.71 135.00 125.22 3mbe n PRO 115 Ca 0.14 -1.48 -0.23 0.00 -2.02 0.00 0.00 63.50 59.91 3mbe n PRO 115 Cb 0.49 -2.58 -0.12 0.00 -0.02 0.00 0.00 33.50 31.27 3mbe n PRO 115 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3mbe s VAL 116 N 4.31 -0.25 0.03 -1.45 1.01 -1.26 -5.08 120.40 117.71 3mbe s VAL 116 Ca 0.43 -0.59 0.05 0.00 0.00 0.00 0.00 61.98 61.87 3mbe s VAL 116 Cb 0.11 -0.97 -0.02 0.00 0.00 0.00 0.00 36.38 35.50 3mbe s VAL 116 CO 0.04 -0.57 -0.15 -0.51 0.00 0.00 0.00 175.10 173.91 3mbe s ILE 117 N 2.24 1.15 -0.79 2.22 1.10 -1.26 -4.70 121.20 121.16 3mbe s ILE 117 Ca 0.09 -0.98 0.02 0.00 -0.51 0.00 0.00 60.65 59.27 3mbe s ILE 117 Cb -0.15 -1.03 0.19 0.00 0.15 0.00 0.00 42.46 41.62 3mbe s ILE 117 CO -0.34 0.05 0.62 0.20 -2.11 0.00 0.00 174.94 173.36 3mbe s ASN 118 N -1.06 5.37 -0.09 4.50 0.01 -0.78 -5.00 114.94 117.88 3mbe s ASN 118 Ca 0.02 -3.79 -0.26 0.00 -0.71 0.00 0.00 52.86 48.12 3mbe s ASN 118 Cb -0.08 -1.76 -0.02 0.00 0.41 0.00 0.00 41.25 39.80 3mbe s ASN 118 CO 0.01 -0.13 0.85 -0.63 -1.51 0.00 0.00 177.10 175.69 3mbe s ILE 119 N -1.40 4.91 0.01 0.60 1.01 -1.26 -2.22 121.20 122.85 3mbe s ILE 119 Ca 0.26 1.73 0.00 0.00 0.00 0.00 0.00 60.65 62.65 3mbe s ILE 119 Cb -0.06 -4.18 -0.01 0.00 0.01 0.00 0.00 42.46 38.23 3mbe s ILE 119 CO -0.15 0.12 -0.02 0.42 0.00 0.00 0.00 174.94 175.32 3mbe s THR 120 N 1.47 0.11 0.50 2.92 -4.23 0.21 -5.02 115.64 111.60 3mbe s THR 120 Ca 0.43 -0.34 -0.03 0.00 -1.18 0.00 0.00 61.69 60.56 3mbe s THR 120 Cb -0.18 -0.15 -0.01 0.00 1.34 0.00 0.00 72.50 73.49 3mbe s THR 120 CO 0.18 -0.15 0.77 0.26 -0.54 0.00 0.00 174.62 175.15 3mbe s TRP 121 N -0.50 3.34 -0.23 3.99 0.52 -1.26 0.35 118.94 125.15 3mbe s TRP 121 Ca -0.05 0.53 -0.08 0.00 0.02 0.00 0.00 56.10 56.52 3mbe s TRP 121 Cb -0.04 -2.42 0.10 0.00 -1.15 0.00 0.00 33.47 29.96 3mbe s TRP 121 CO -0.00 -0.46 0.50 -1.17 0.02 0.00 0.00 176.95 175.84 3mbe s LEU 122 N -4.73 -0.76 -0.18 2.99 2.96 -0.33 -3.36 118.68 115.27 3mbe s LEU 122 Ca 0.49 1.18 -0.01 0.00 -0.22 0.00 0.00 54.13 55.56 3mbe s LEU 122 Cb -0.10 1.67 -0.01 0.00 0.50 0.00 0.00 46.19 48.25 3mbe s LEU 122 CO 0.42 -0.23 -0.11 -0.60 -1.32 0.00 0.00 176.35 174.52 3mbe s ARG 123 N 2.56 3.31 -1.27 1.98 3.52 -0.27 -0.26 118.95 128.51 3mbe s ARG 123 Ca -0.04 -0.69 -0.01 0.00 -0.13 0.00 0.00 55.73 54.86 3mbe s ARG 123 Cb -0.11 -2.78 0.00 0.00 -1.56 0.00 0.00 34.95 30.50 3mbe s ARG 123 CO -0.15 -0.03 0.87 0.09 -0.81 0.00 0.00 175.30 175.27 3mbe n ASN 124 N 4.24 -1.93 0.00 -2.12 3.02 0.66 -1.65 115.26 117.48 3mbe n ASN 124 Ca -0.19 -0.71 0.00 0.00 -0.03 0.00 0.00 54.58 53.65 3mbe n ASN 124 Cb 0.51 -4.58 0.00 0.00 -0.61 0.00 0.00 39.78 35.10 3mbe n ASN 124 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 3mbe n SER 125 N -3.08 -3.18 -4.19 6.41 7.64 -1.26 -4.93 113.62 111.02 3mbe n SER 125 Ca -0.27 0.00 -0.26 0.00 1.01 0.00 0.00 58.87 59.35 3mbe n SER 125 Cb 0.66 -3.02 -0.15 0.00 -1.01 0.00 0.00 64.21 60.69 3mbe n SER 125 CO 0.00 0.00 0.00 -1.59 -3.01 0.00 0.00 175.04 170.44 3mbe s LYS 126 N -1.53 1.53 1.04 1.43 -2.85 -0.66 -5.12 119.74 113.59 3mbe s LYS 126 Ca 0.00 -0.68 -0.12 0.00 -1.00 0.00 0.00 55.97 54.17 3mbe s LYS 126 Cb 0.00 -1.48 0.22 0.00 -2.06 0.00 0.00 37.83 34.50 3mbe s LYS 126 CO 0.00 0.41 1.07 -1.54 0.10 0.00 0.00 175.35 175.39 3mbe s SER 127 N -0.45 2.06 0.07 0.03 1.04 -1.26 -1.12 113.70 114.08 3mbe s SER 127 Ca 0.07 1.52 0.03 0.00 0.48 0.00 0.00 55.95 58.05 3mbe s SER 127 Cb -0.07 -2.21 -0.03 0.00 0.10 0.00 0.00 66.02 63.81 3mbe s SER 127 CO -0.01 -3.53 -0.09 -0.69 0.98 0.00 0.00 173.24 169.90 3mbe s VAL 128 N -2.69 0.78 0.00 5.02 1.01 -1.21 -4.63 120.40 118.68 3mbe s VAL 128 Ca 0.66 -1.42 0.00 0.00 0.00 0.00 0.00 61.98 61.23 3mbe s VAL 128 Cb -0.22 -1.07 0.00 0.00 0.00 0.00 0.00 36.38 35.09 3mbe s VAL 128 CO 0.61 -0.48 0.00 0.35 0.00 0.00 0.00 175.10 175.57 3mbe n THR 129 N 0.93 0.00 -3.67 3.92 -2.24 -1.26 -4.58 114.28 107.38 3mbe n THR 129 Ca -0.19 0.00 -0.36 0.00 -2.27 0.00 0.00 64.05 61.23 3mbe n THR 129 Cb 0.56 0.49 -0.07 0.00 -2.10 0.00 0.00 70.33 69.21 3mbe n THR 129 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 3mbe s ASP 130 N 0.00 6.36 0.00 3.42 1.01 -1.26 -4.23 116.67 121.97 3mbe s ASP 130 Ca 0.00 0.41 0.00 0.00 0.71 0.00 0.00 52.55 53.67 3mbe s ASP 130 Cb 0.00 -2.13 0.00 0.00 1.01 0.00 0.00 42.92 41.80 3mbe s ASP 130 CO 0.00 0.20 0.00 0.61 0.21 0.00 0.00 175.17 176.19 3mbe n GLY 131 N 3.12 0.75 3.43 0.21 0.00 -1.26 -4.78 105.19 106.65 3mbe n GLY 131 Ca -0.15 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.43 3mbe n GLY 131 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3mbe s VAL 132 N -2.53 4.85 0.54 1.61 1.01 -1.26 -3.67 120.40 120.95 3mbe s VAL 132 Ca 0.00 -0.61 0.01 0.00 0.00 0.00 0.00 61.98 61.38 3mbe s VAL 132 Cb 0.00 -4.36 0.03 0.00 0.00 0.00 0.00 36.38 32.05 3mbe s VAL 132 CO 0.00 -0.90 0.76 -0.47 0.00 0.00 0.00 175.10 174.48 3mbe s TYR 133 N 2.68 2.89 -0.30 5.22 5.04 -1.03 -4.94 117.35 126.92 3mbe s TYR 133 Ca 0.14 -0.00 -0.12 0.00 -2.44 0.00 0.00 57.07 54.65 3mbe s TYR 133 Cb -0.20 -2.70 0.14 0.00 0.35 0.00 0.00 41.96 39.55 3mbe s TYR 133 CO 0.10 -0.81 0.76 -2.00 -1.34 0.00 0.00 175.55 172.27 3mbe s GLU 134 N -4.73 0.49 0.53 4.97 2.12 -1.26 -1.71 118.70 119.11 3mbe s GLU 134 Ca 0.56 1.22 -0.16 0.00 0.36 0.00 0.00 54.97 56.95 3mbe s GLU 134 Cb -0.10 0.71 -0.07 0.00 0.26 0.00 0.00 34.13 34.93 3mbe s GLU 134 CO 0.38 -0.17 0.99 0.95 -0.54 0.00 0.00 175.26 176.88 3mbe s THR 135 N 2.71 4.48 1.18 -1.70 -4.23 -0.91 -5.01 115.64 112.16 3mbe s THR 135 Ca -0.05 1.17 -0.16 0.00 -1.18 0.00 0.00 61.69 61.47 3mbe s THR 135 Cb -0.10 -3.70 0.28 0.00 1.34 0.00 0.00 72.50 70.32 3mbe s THR 135 CO -0.19 -0.69 1.04 -0.94 -0.54 0.00 0.00 174.62 173.31 3mbe s SER 136 N -3.09 0.98 -0.30 3.99 1.04 -1.26 -4.46 113.70 110.59 3mbe s SER 136 Ca 0.59 1.09 -0.29 0.00 0.48 0.00 0.00 55.95 57.83 3mbe s SER 136 Cb -0.10 -1.66 -0.02 0.00 0.10 0.00 0.00 66.02 64.34 3mbe s SER 136 CO 0.33 -4.14 1.66 -0.36 0.98 0.00 0.00 173.24 171.70 3mbe s PHE 137 N -2.69 2.03 0.37 5.02 0.08 -1.26 -4.71 117.98 116.82 3mbe s PHE 137 Ca 0.68 0.60 -0.10 0.00 0.12 0.00 0.00 56.93 58.24 3mbe s PHE 137 Cb -0.18 -4.11 -0.06 0.00 -0.57 0.00 0.00 43.02 38.10 3mbe s PHE 137 CO 0.60 -2.76 0.71 -0.51 -0.10 0.00 0.00 175.22 173.16 3mbe s LEU 138 N 5.98 3.91 0.25 -0.37 1.02 -1.09 -4.91 118.68 123.48 3mbe s LEU 138 Ca 0.73 1.04 -0.05 0.00 0.02 0.00 0.00 54.13 55.88 3mbe s LEU 138 Cb -0.22 -3.90 -0.05 0.00 0.02 0.00 0.00 46.19 42.04 3mbe s LEU 138 CO 0.32 -0.33 0.51 0.68 0.02 0.00 0.00 176.35 177.55 3mbe s VAL 139 N -2.25 5.06 0.32 -1.59 -7.23 -1.26 -1.47 120.40 111.97 3mbe s VAL 139 Ca 0.50 0.03 0.08 0.00 -1.81 0.00 0.00 61.98 60.78 3mbe s VAL 139 Cb -0.10 -3.71 -0.04 0.00 0.56 0.00 0.00 36.38 33.08 3mbe s VAL 139 CO 0.29 -0.24 0.13 0.20 -0.31 0.00 0.00 175.10 175.17 3mbe s ASN 140 N -3.01 4.72 0.43 4.85 0.01 -0.10 -4.84 114.94 117.00 3mbe s ASN 140 Ca 0.43 -0.72 0.29 0.00 -0.71 0.00 0.00 52.86 52.15 3mbe s ASN 140 Cb -0.11 -0.79 1.04 0.00 0.41 0.00 0.00 41.25 41.80 3mbe s ASN 140 CO 0.28 -0.24 1.83 -0.09 -1.51 0.00 0.00 177.10 177.38 3mbe h ARG 141 N 1.59 0.00 -0.37 -0.60 2.43 -1.99 -2.66 114.38 112.78 3mbe h ARG 141 Ca -0.44 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.73 3mbe h ARG 141 Cb 1.25 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.80 3mbe h ARG 141 CO 0.62 0.00 0.00 -0.40 -1.51 0.00 0.00 179.97 178.68 3mbe n ASP 142 N -2.82 3.16 0.00 -3.80 5.75 -1.26 -4.94 116.55 112.65 3mbe n ASP 142 Ca 0.02 -1.95 0.00 0.00 -0.01 0.00 0.00 54.79 52.85 3mbe n ASP 142 Cb 0.34 -0.24 0.00 0.00 -1.03 0.00 0.00 41.12 40.20 3mbe n ASP 142 CO 0.00 0.00 0.00 1.41 -0.11 0.00 0.00 177.20 178.50 3mbe n HIS 143 N 1.29 0.00 -3.03 2.11 8.25 -1.00 -5.05 115.22 117.80 3mbe n HIS 143 Ca 0.19 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.65 3mbe n HIS 143 Cb 0.56 -0.46 0.00 0.00 1.12 0.00 0.00 29.99 31.21 3mbe n HIS 143 CO 0.00 0.00 0.00 -1.13 0.64 0.00 0.00 176.34 175.85 3mbe n SER 144 N 1.71 1.18 -4.05 0.41 3.41 -1.26 -4.91 113.62 110.11 3mbe n SER 144 Ca 0.00 -0.44 -0.08 0.00 -0.26 0.00 0.00 58.87 58.09 3mbe n SER 144 Cb 0.03 0.00 -0.09 0.00 -0.26 0.00 0.00 64.21 63.89 3mbe n SER 144 CO 0.00 0.00 0.00 -0.36 -0.16 0.00 0.00 175.04 174.52 3mbe s PHE 145 N 0.71 0.50 -0.04 7.33 0.40 -1.04 -0.92 117.98 124.91 3mbe s PHE 145 Ca 0.00 -1.00 -0.00 0.00 -0.60 0.00 0.00 56.93 55.33 3mbe s PHE 145 Cb 0.00 -0.34 0.03 0.00 0.51 0.00 0.00 43.02 43.22 3mbe s PHE 145 CO 0.00 -0.44 -0.00 -3.38 0.70 0.00 0.00 175.22 172.10 3mbe s HIS 146 N -3.93 0.44 0.35 0.36 -3.43 -0.54 -2.08 115.29 106.46 3mbe s HIS 146 Ca 0.09 -0.05 0.08 0.00 -0.80 0.00 0.00 55.06 54.38 3mbe s HIS 146 Cb 0.07 -0.54 -0.03 0.00 -1.43 0.00 0.00 32.58 30.66 3mbe s HIS 146 CO -0.08 -0.18 0.29 0.21 -2.00 0.00 0.00 174.74 172.97 3mbe s LYS 147 N 1.28 2.64 -0.00 -0.38 2.20 -0.73 -2.67 119.74 122.08 3mbe s LYS 147 Ca -0.06 -1.38 0.01 0.00 -0.36 0.00 0.00 55.97 54.17 3mbe s LYS 147 Cb -0.13 -2.41 -0.00 0.00 -1.51 0.00 0.00 37.83 33.77 3mbe s LYS 147 CO -0.02 0.04 -0.02 -0.51 -0.36 0.00 0.00 175.35 174.48 3mbe s LEU 148 N -4.00 2.01 -0.21 5.43 1.02 -1.26 -1.15 118.68 120.52 3mbe s LEU 148 Ca 0.42 -0.04 0.02 0.00 0.02 0.00 0.00 54.13 54.55 3mbe s LEU 148 Cb -0.05 -0.09 0.04 0.00 0.02 0.00 0.00 46.19 46.11 3mbe s LEU 148 CO 0.26 0.02 -0.16 -0.55 0.02 0.00 0.00 176.35 175.94 3mbe s SER 149 N -0.06 3.60 0.18 2.29 0.15 -1.01 -2.15 113.70 116.71 3mbe s SER 149 Ca 0.00 -0.93 -0.07 0.00 0.70 0.00 0.00 55.95 55.66 3mbe s SER 149 Cb -0.01 -1.47 -0.06 0.00 -1.71 0.00 0.00 66.02 62.77 3mbe s SER 149 CO -0.00 -0.08 0.45 -0.31 1.20 0.00 0.00 173.24 174.50 3mbe s TYR 150 N 1.24 3.45 -0.22 3.44 1.51 -0.69 -1.22 117.35 124.86 3mbe s TYR 150 Ca -0.01 0.68 -0.04 0.00 -1.01 0.00 0.00 57.07 56.70 3mbe s TYR 150 Cb -0.16 -2.11 0.12 0.00 -0.11 0.00 0.00 41.96 39.70 3mbe s TYR 150 CO -0.10 0.36 0.34 -1.17 -1.11 0.00 0.00 175.55 173.87 3mbe s LEU 151 N -2.77 -0.51 0.37 -1.29 2.96 -0.05 -2.45 118.68 114.94 3mbe s LEU 151 Ca 0.44 0.26 -0.25 0.00 -0.22 0.00 0.00 54.13 54.36 3mbe s LEU 151 Cb -0.12 0.98 -0.09 0.00 0.50 0.00 0.00 46.19 47.46 3mbe s LEU 151 CO 0.24 -0.29 1.08 0.42 -1.32 0.00 0.00 176.35 176.47 3mbe s THR 152 N 2.50 3.59 0.33 3.68 -4.23 -1.24 0.22 115.64 120.50 3mbe s THR 152 Ca 0.09 1.31 -0.14 0.00 -1.18 0.00 0.00 61.69 61.77 3mbe s THR 152 Cb -0.15 -3.72 0.05 0.00 1.34 0.00 0.00 72.50 70.02 3mbe s THR 152 CO -0.14 0.10 0.73 2.22 -0.54 0.00 0.00 174.62 176.98 3mbe n PHE 153 N 0.21 -2.13 -4.15 3.99 -1.74 -0.74 -4.87 117.46 108.04 3mbe n PHE 153 Ca 0.04 -1.60 -0.33 0.00 -0.56 0.00 0.00 57.45 54.99 3mbe n PHE 153 Cb 0.48 0.80 -0.16 0.00 1.52 0.00 0.00 39.48 42.12 3mbe n PHE 153 CO 0.00 0.00 0.00 0.42 -0.56 0.00 0.00 176.76 176.62 3mbe s ILE 154 N -2.19 2.19 -0.55 1.97 -1.09 -1.26 -1.20 121.20 119.07 3mbe s ILE 154 Ca 0.15 -0.90 -0.31 0.00 -2.23 0.00 0.00 60.65 57.35 3mbe s ILE 154 Cb -0.04 -1.92 -0.13 0.00 -1.58 0.00 0.00 42.46 38.79 3mbe s ILE 154 CO 0.10 0.53 2.39 -2.65 -1.23 0.00 0.00 174.94 174.08 3mbe n PRO 155 N 4.59 0.79 -4.91 2.79 -0.02 -1.26 -4.80 135.00 132.19 3mbe n PRO 155 Ca -0.21 0.13 -0.27 0.00 -2.02 0.00 0.00 63.50 61.13 3mbe n PRO 155 Cb 0.50 -2.52 -0.16 0.00 -0.02 0.00 0.00 33.50 31.30 3mbe n PRO 155 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 3mbe s SER 156 N 9.23 2.29 0.00 2.55 0.15 -1.26 -2.14 113.70 124.52 3mbe s SER 156 Ca 1.13 -0.37 0.30 0.00 0.70 0.00 0.00 55.95 57.70 3mbe s SER 156 Cb -0.75 -0.59 1.41 0.00 -1.71 0.00 0.00 66.02 64.38 3mbe s SER 156 CO 0.42 0.18 1.96 0.47 1.20 0.00 0.00 173.24 177.47 3mbe n ASP 157 N 3.05 0.43 0.06 5.45 9.92 -1.26 -3.54 116.55 130.66 3mbe n ASP 157 Ca -0.18 -0.76 -0.04 0.00 -0.53 0.00 0.00 54.79 53.29 3mbe n ASP 157 Cb 0.53 -0.07 -0.08 0.00 -0.64 0.00 0.00 41.12 40.86 3mbe n ASP 157 CO 0.00 0.00 0.00 0.44 0.13 0.00 0.00 177.20 177.77 3mbe h ASP 158 N 0.59 0.00 -2.91 -2.24 3.32 -1.99 -3.43 116.42 109.76 3mbe h ASP 158 Ca 0.00 0.00 -0.62 0.00 0.02 0.00 0.00 57.03 56.43 3mbe h ASP 158 Cb 0.28 0.00 -0.05 0.00 0.22 0.00 0.00 39.33 39.78 3mbe h ASP 158 CO 0.00 0.82 -0.44 -1.81 -1.72 0.00 0.00 179.24 176.08 3mbe s ASP 159 N -6.43 6.41 -0.19 6.45 1.01 -1.23 -5.08 116.67 117.61 3mbe s ASP 159 Ca 0.00 0.41 -0.01 0.00 0.71 0.00 0.00 52.55 53.67 3mbe s ASP 159 Cb 0.09 -2.02 0.01 0.00 1.01 0.00 0.00 42.92 42.00 3mbe s ASP 159 CO 0.80 0.20 -0.14 -0.63 0.21 0.00 0.00 175.17 175.61 3mbe s ILE 160 N -1.42 2.56 -0.15 0.77 -1.09 -1.26 -4.65 121.20 115.95 3mbe s ILE 160 Ca 0.32 -0.77 -0.08 0.00 -2.23 0.00 0.00 60.65 57.88 3mbe s ILE 160 Cb -0.13 -2.11 -0.04 0.00 -1.58 0.00 0.00 42.46 38.60 3mbe s ILE 160 CO 0.22 0.50 0.12 -0.31 -1.23 0.00 0.00 174.94 174.23 3mbe s TYR 161 N 1.30 3.46 0.04 3.97 2.02 0.04 -0.24 117.35 127.94 3mbe s TYR 161 Ca 0.04 0.38 0.07 0.00 -0.37 0.00 0.00 57.07 57.19 3mbe s TYR 161 Cb -0.14 -2.02 -0.02 0.00 -0.40 0.00 0.00 41.96 39.38 3mbe s TYR 161 CO -0.08 0.50 -0.20 -0.51 -1.57 0.00 0.00 175.55 173.68 3mbe s ASP 162 N -0.37 2.37 -0.45 2.29 1.01 0.64 0.12 116.67 122.27 3mbe s ASP 162 Ca 0.11 -0.50 -0.09 0.00 0.71 0.00 0.00 52.55 52.78 3mbe s ASP 162 Cb -0.12 -0.20 0.10 0.00 1.01 0.00 0.00 42.92 43.72 3mbe s ASP 162 CO 0.01 0.15 0.31 0.00 0.21 0.00 0.00 175.17 175.86 3mbe s LYS 164 N 1.38 4.39 -0.18 0.00 2.20 0.15 -3.12 119.74 124.57 3mbe s LYS 164 Ca 0.05 1.46 0.01 0.00 -0.36 0.00 0.00 55.97 57.13 3mbe s LYS 164 Cb -0.25 -3.55 0.03 0.00 -1.51 0.00 0.00 37.83 32.54 3mbe s LYS 164 CO 0.00 -0.37 -0.17 0.08 -0.36 0.00 0.00 175.35 174.53 3mbe s VAL 165 N 2.16 1.87 -0.14 4.02 1.01 -1.07 -0.62 120.40 127.63 3mbe s VAL 165 Ca 0.50 -0.89 0.01 0.00 0.00 0.00 0.00 61.98 61.60 3mbe s VAL 165 Cb -0.20 -1.75 -0.00 0.00 0.00 0.00 0.00 36.38 34.43 3mbe s VAL 165 CO 0.18 0.45 -0.18 -1.61 0.00 0.00 0.00 175.10 173.94 3mbe s GLU 166 N 1.35 3.17 0.30 2.72 2.02 -0.94 -2.07 118.70 125.25 3mbe s GLU 166 Ca 0.04 -0.78 0.04 0.00 0.02 0.00 0.00 54.97 54.29 3mbe s GLU 166 Cb -0.14 -2.54 -0.03 0.00 0.10 0.00 0.00 34.13 31.53 3mbe s GLU 166 CO -0.11 0.06 0.27 -1.58 0.02 0.00 0.00 175.26 173.92 3mbe s HIS 167 N 0.68 1.55 -0.01 1.61 2.46 -1.26 -1.86 115.29 118.45 3mbe s HIS 167 Ca -0.09 -1.56 0.12 0.00 0.47 0.00 0.00 55.06 54.00 3mbe s HIS 167 Cb -0.16 -0.61 -0.20 0.00 -0.13 0.00 0.00 32.58 31.48 3mbe s HIS 167 CO 0.02 -0.85 0.89 -1.49 -2.47 0.00 0.00 174.74 170.84 3mbe h TRP 168 N 2.23 0.00 -0.03 3.88 6.55 -1.94 -3.27 115.95 123.37 3mbe h TRP 168 Ca -0.27 0.00 0.00 0.00 0.95 0.00 0.00 58.89 59.57 3mbe h TRP 168 Cb 1.24 0.00 0.00 0.00 -0.86 0.00 0.00 29.16 29.54 3mbe h TRP 168 CO 1.40 0.92 0.00 0.41 -1.05 0.00 0.00 178.44 180.13 3mbe n GLY 169 N 1.46 1.02 2.92 1.49 0.00 -1.26 -4.64 105.19 106.17 3mbe n GLY 169 Ca -0.10 -0.04 -0.21 0.00 0.00 0.00 0.00 46.02 45.66 3mbe n GLY 169 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3mbe s LEU 170 N -0.32 1.35 0.26 0.99 1.43 -1.24 -4.33 118.68 116.84 3mbe s LEU 170 Ca 0.02 -0.17 0.10 0.00 -1.03 0.00 0.00 54.13 53.05 3mbe s LEU 170 Cb 0.02 -0.55 0.33 0.00 0.03 0.00 0.00 46.19 46.01 3mbe s LEU 170 CO 0.01 -0.05 1.59 -0.08 0.23 0.00 0.00 176.35 178.06 3mbe h GLU 171 N 7.24 0.00 -2.67 1.70 4.81 -1.85 -3.43 114.58 120.38 3mbe h GLU 171 Ca -0.35 0.00 -0.10 0.00 -0.13 0.00 0.00 59.36 58.78 3mbe h GLU 171 Cb 1.16 0.00 -0.20 0.00 0.63 0.00 0.00 28.75 30.34 3mbe h GLU 171 CO 0.46 0.64 -0.12 -1.83 -0.73 0.00 0.00 179.01 177.42 3mbe s GLU 172 N -3.56 0.77 0.81 1.92 -1.05 -1.26 -5.12 118.70 111.21 3mbe s GLU 172 Ca -0.01 0.05 -0.17 0.00 -0.15 0.00 0.00 54.97 54.69 3mbe s GLU 172 Cb 0.12 0.35 -0.15 0.00 -0.44 0.00 0.00 34.13 34.02 3mbe s GLU 172 CO 0.77 -0.21 -0.55 -2.30 0.95 0.00 0.00 175.26 173.91 3mbe n PRO 173 N 1.36 0.00 -3.88 -4.83 -0.02 -1.26 -4.99 135.00 121.37 3mbe n PRO 173 Ca -0.20 0.00 -0.30 0.00 -2.02 0.00 0.00 63.50 60.98 3mbe n PRO 173 Cb 0.56 -0.98 -0.15 0.00 -0.02 0.00 0.00 33.50 32.91 3mbe n PRO 173 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3mbe s VAL 174 N -1.96 1.43 -0.35 -1.45 1.01 -0.88 -4.94 120.40 113.25 3mbe s VAL 174 Ca 0.45 -1.45 -0.17 0.00 0.00 0.00 0.00 61.98 60.81 3mbe s VAL 174 Cb -0.29 -1.88 -0.00 0.00 0.00 0.00 0.00 36.38 34.20 3mbe s VAL 174 CO 0.76 -0.37 0.47 -0.76 0.00 0.00 0.00 175.10 175.20 3mbe s LEU 175 N 1.39 4.40 -0.55 3.92 1.02 -1.26 -2.61 118.68 124.99 3mbe s LEU 175 Ca 0.02 -0.12 -0.21 0.00 0.02 0.00 0.00 54.13 53.84 3mbe s LEU 175 Cb -0.18 -2.51 0.06 0.00 0.02 0.00 0.00 46.19 43.58 3mbe s LEU 175 CO -0.12 -0.45 0.78 -0.54 0.02 0.00 0.00 176.35 176.04 3mbe s LYS 176 N 2.28 3.18 0.36 1.70 -0.14 -1.18 -4.83 119.74 121.11 3mbe s LYS 176 Ca 0.16 -0.72 -0.28 0.00 -1.36 0.00 0.00 55.97 53.78 3mbe s LYS 176 Cb -0.16 -4.11 -0.10 0.00 -1.68 0.00 0.00 37.83 31.78 3mbe s LYS 176 CO 0.13 -1.41 1.30 -1.58 -0.76 0.00 0.00 175.35 173.03 3mbe s HIS 177 N 3.24 2.97 -0.11 3.18 5.65 -1.26 -2.85 115.29 126.10 3mbe s HIS 177 Ca 0.21 1.42 -0.08 0.00 0.25 0.00 0.00 55.06 56.85 3mbe s HIS 177 Cb -0.17 -3.67 0.04 0.00 -1.18 0.00 0.00 32.58 27.60 3mbe s HIS 177 CO 0.14 -1.91 0.29 -0.46 -0.65 0.00 0.00 174.74 172.14 3mbe s TRP 178 N -1.19 -0.35 0.00 3.88 -0.00 0.33 -4.97 118.94 116.64 3mbe s TRP 178 Ca 0.52 0.83 -0.20 0.00 -0.00 0.00 0.00 56.10 57.25 3mbe s TRP 178 Cb -0.39 0.11 0.04 0.00 -0.00 0.00 0.00 33.47 33.23 3mbe s TRP 178 CO 0.51 -0.20 0.45 0.45 -0.00 0.00 0.00 176.95 178.16 3mbe s SER 179 N 0.64 -0.35 0.00 5.86 0.15 -1.26 -0.78 113.70 117.96 3mbe s SER 179 Ca -0.04 0.20 0.22 0.00 0.70 0.00 0.00 55.95 57.04 3mbe s SER 179 Cb -0.05 0.42 1.02 0.00 -1.71 0.00 0.00 66.02 65.70 3mbe s SER 179 CO -0.04 -0.59 1.72 -0.24 1.20 0.00 0.00 173.24 175.30 3mbe n SER 180 N 0.84 0.00 0.00 5.45 2.88 -1.26 -4.00 113.62 117.53 3mbe n SER 180 Ca -0.20 0.28 0.00 0.00 -1.33 0.00 0.00 58.87 57.63 3mbe n SER 180 Cb 0.58 -0.41 0.00 0.00 -0.75 0.00 0.00 64.21 63.63 3mbe n SER 180 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3mbe n ALA 181 N -1.41 0.00 -0.18 -1.46 0.00 -1.26 -4.96 120.51 111.24 3mbe n ALA 181 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.51 3mbe n ALA 181 Cb 0.23 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.68 3mbe n ALA 181 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10