#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 5.02 0.12 5.18 1.09 -1.26 -5.05 121.20 126.31 3mbe s ILE 1 Ca 0.00 1.52 -0.18 0.00 -1.10 0.00 0.00 60.65 60.89 3mbe s ILE 1 Cb 0.00 -4.08 -0.07 0.00 -1.06 0.00 0.00 42.46 37.25 3mbe s ILE 1 CO 0.00 0.23 0.59 -0.70 -0.10 0.00 0.00 174.94 174.96 3mbe s GLU 1 N 0.89 4.14 -0.13 2.79 2.12 -1.26 -5.05 118.70 122.20 3mbe s GLU 1 Ca 0.39 0.69 -0.33 0.00 0.36 0.00 0.00 54.97 56.07 3mbe s GLU 1 Cb -0.18 -3.08 0.13 0.00 0.26 0.00 0.00 34.13 31.27 3mbe s GLU 1 CO 0.19 0.54 1.26 0.00 -0.54 0.00 0.00 175.26 176.72 3mbe s ALA 2 N -1.30 -2.16 0.04 6.30 0.00 -1.26 -5.04 121.76 118.34 3mbe s ALA 2 Ca 0.34 1.25 -0.25 0.00 0.00 0.00 0.00 51.96 53.30 3mbe s ALA 2 Cb -0.18 0.06 -0.17 0.00 0.00 0.00 0.00 23.12 22.83 3mbe s ALA 2 CO 0.20 -0.79 1.48 -0.44 0.00 0.00 0.00 175.76 176.21 3mbe h ASP 3 N 2.00 -0.14 -4.99 0.00 5.19 -2.09 -3.46 116.42 112.94 3mbe h ASP 3 Ca -0.18 -0.18 -0.17 0.00 -0.62 0.00 0.00 57.03 55.88 3mbe h ASP 3 Cb 1.18 0.04 -0.18 0.00 0.18 0.00 0.00 39.33 40.54 3mbe h ASP 3 CO 0.25 0.11 -0.70 -1.00 -3.12 0.00 0.00 179.24 174.78 3mbe s HIS 4 N -5.27 0.49 -0.08 4.55 3.76 -1.26 -5.08 115.29 112.40 3mbe s HIS 4 Ca -0.15 -0.77 -0.01 0.00 -0.15 0.00 0.00 55.06 53.99 3mbe s HIS 4 Cb 0.04 -0.33 0.03 0.00 1.11 0.00 0.00 32.58 33.42 3mbe s HIS 4 CO 0.64 -0.24 -0.04 0.08 -0.85 0.00 0.00 174.74 174.33 3mbe s VAL 5 N -2.60 0.65 0.28 -0.90 1.01 -1.26 -5.02 120.40 112.56 3mbe s VAL 5 Ca -0.03 -0.07 -0.09 0.00 0.00 0.00 0.00 61.98 61.78 3mbe s VAL 5 Cb -0.02 -0.74 -0.07 0.00 0.00 0.00 0.00 36.38 35.56 3mbe s VAL 5 CO -0.04 0.30 0.60 -0.83 0.00 0.00 0.00 175.10 175.13 3mbe s GLY 6 N 1.70 2.13 -0.33 4.51 0.00 -1.26 -0.99 107.32 113.08 3mbe s GLY 6 Ca 0.02 -0.30 0.15 0.00 0.00 0.00 0.00 44.72 44.59 3mbe s GLY 6 CO -0.05 -0.16 1.06 0.69 0.00 0.00 0.00 173.10 174.64 3mbe n PHE 7 N -0.54 1.92 -1.44 1.90 3.01 -0.09 -4.97 117.46 117.26 3mbe n PHE 7 Ca 0.01 -2.60 -0.35 0.00 1.01 0.00 0.00 57.45 55.52 3mbe n PHE 7 Cb 0.53 -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 -3.47 2.00 0.00 1.38 2.02 -1.26 -3.20 117.35 114.81 3mbe s TYR 8 Ca 0.35 1.59 0.00 0.00 -0.37 0.00 0.00 57.07 58.64 3mbe s TYR 8 Cb 0.40 -3.53 0.00 0.00 -0.40 0.00 0.00 41.96 38.43 3mbe s TYR 8 CO -0.03 -2.74 0.00 0.41 -1.57 0.00 0.00 175.55 171.62 3mbe n GLY 9 N 0.54 1.26 3.46 0.71 0.00 -1.25 -4.92 105.19 104.98 3mbe n GLY 9 Ca 0.14 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.70 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 0.05 -4.32 2.61 -1.04 -1.20 -4.84 114.28 103.54 3mbe n THR 10 Ca 0.00 -0.26 -0.26 0.00 -2.04 0.00 0.00 64.05 61.48 3mbe n THR 10 Cb 0.00 -1.40 -0.10 0.00 -1.82 0.00 0.00 70.33 67.01 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 8.70 3.03 -0.20 12.58 2.01 -1.26 -1.32 115.64 139.17 3mbe s THR 11 Ca 1.16 -1.76 -0.10 0.00 0.31 0.00 0.00 61.69 61.30 3mbe s THR 11 Cb -0.92 -2.50 0.07 0.00 0.01 0.00 0.00 72.50 69.16 3mbe s THR 11 CO 0.46 -0.13 0.48 -0.69 -0.69 0.00 0.00 174.62 174.05 3mbe s VAL 12 N -1.76 -0.16 0.07 3.82 1.01 -0.31 -4.99 120.40 118.09 3mbe s VAL 12 Ca 0.25 0.08 0.03 0.00 0.00 0.00 0.00 61.98 62.34 3mbe s VAL 12 Cb -0.08 -0.72 -0.03 0.00 0.00 0.00 0.00 36.38 35.55 3mbe s VAL 12 CO 0.14 0.03 -0.10 -0.47 0.00 0.00 0.00 175.10 174.71 3mbe s TYR 13 N 1.71 0.95 0.09 5.22 6.14 -1.26 -0.23 117.35 129.96 3mbe s TYR 13 Ca -0.08 -0.57 -0.13 0.00 0.64 0.00 0.00 57.07 56.93 3mbe s TYR 13 Cb -0.08 -0.54 0.02 0.00 0.42 0.00 0.00 41.96 41.78 3mbe s TYR 13 CO -0.15 -0.02 0.31 1.14 0.64 0.00 0.00 175.55 177.47 3mbe s GLN 14 N -2.16 0.91 0.05 4.97 -2.07 0.00 -4.98 119.66 116.38 3mbe s GLN 14 Ca -0.02 -0.71 0.01 0.00 -1.82 0.00 0.00 55.36 52.82 3mbe s GLN 14 Cb -0.07 0.39 -0.03 0.00 -1.09 0.00 0.00 33.01 32.21 3mbe s GLN 14 CO 0.00 -0.32 -0.05 -1.54 -1.32 0.00 0.00 175.29 172.07 3mbe s SER 15 N -2.56 0.63 1.02 12.60 1.04 -1.26 -2.85 113.70 122.31 3mbe s SER 15 Ca 0.01 -0.75 -0.08 0.00 0.48 0.00 0.00 55.95 55.60 3mbe s SER 15 Cb 0.02 0.11 0.11 0.00 0.10 0.00 0.00 66.02 66.36 3mbe s SER 15 CO -0.09 -0.40 0.60 -2.65 0.98 0.00 0.00 173.24 171.69 3mbe n PRO 16 N 0.82 -0.82 0.00 4.02 -0.02 -1.26 -5.01 135.00 132.73 3mbe n PRO 16 Ca -0.19 -0.94 0.00 0.00 -2.02 0.00 0.00 63.50 60.36 3mbe n PRO 16 Cb 0.58 -0.66 0.00 0.00 -0.02 0.00 0.00 33.50 33.40 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 0.67 0.86 3.69 -1.23 0.00 -1.26 -4.37 105.19 103.54 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 -2.11 -4.50 1.61 9.92 -1.25 -4.94 116.55 115.28 3mbe n ASP 18 Ca 0.00 -0.86 -0.43 0.00 -0.53 0.00 0.00 54.79 52.96 3mbe n ASP 18 Cb 0.00 -3.92 -0.07 0.00 -0.64 0.00 0.00 41.12 36.49 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 4.84 0.34 0.53 1.01 -1.13 -4.97 121.20 118.17 3mbe s ILE 19 Ca 0.11 -0.03 0.05 0.00 0.00 0.00 0.00 60.65 60.78 3mbe s ILE 19 Cb -0.03 -4.22 -0.07 0.00 0.01 0.00 0.00 42.46 38.16 3mbe s ILE 19 CO 0.82 -0.63 0.02 -0.83 0.00 0.00 0.00 174.94 174.32 3mbe s GLY 20 N 2.12 2.13 -0.16 6.18 0.00 -1.26 -0.82 107.32 115.51 3mbe s GLY 20 Ca 0.21 -2.09 -0.24 0.00 0.00 0.00 0.00 44.72 42.60 3mbe s GLY 20 CO 0.17 -1.90 0.62 1.62 0.00 0.00 0.00 173.10 173.62 3mbe s GLN 21 N -3.80 0.83 -0.04 2.90 0.74 0.68 -4.98 119.66 115.98 3mbe s GLN 21 Ca 0.34 0.60 0.00 0.00 0.05 0.00 0.00 55.36 56.36 3mbe s GLN 21 Cb 0.08 0.40 0.03 0.00 1.10 0.00 0.00 33.01 34.61 3mbe s GLN 21 CO 0.15 -0.17 -0.02 -0.47 -0.55 0.00 0.00 175.29 174.24 3mbe s TYR 22 N -0.26 0.55 0.37 1.67 6.14 -1.26 -1.16 117.35 123.39 3mbe s TYR 22 Ca -0.04 -0.11 0.06 0.00 0.64 0.00 0.00 57.07 57.62 3mbe s TYR 22 Cb -0.03 -0.59 -0.03 0.00 0.42 0.00 0.00 41.96 41.74 3mbe s TYR 22 CO 0.04 -0.19 0.23 0.95 0.64 0.00 0.00 175.55 177.22 3mbe s THR 23 N 1.19 0.19 -0.04 4.34 -4.23 -0.43 -2.51 115.64 114.14 3mbe s THR 23 Ca -0.07 -2.00 -0.02 0.00 -1.18 0.00 0.00 61.69 58.42 3mbe s THR 23 Cb -0.14 -2.42 0.02 0.00 1.34 0.00 0.00 72.50 71.31 3mbe s THR 23 CO -0.02 0.00 0.08 -1.00 -0.54 0.00 0.00 174.62 173.15 3mbe s HIS 24 N -3.32 -0.08 0.16 3.99 3.76 -0.97 -3.30 115.29 115.53 3mbe s HIS 24 Ca 0.34 0.25 0.08 0.00 -0.15 0.00 0.00 55.06 55.58 3mbe s HIS 24 Cb 0.02 -0.04 -0.04 0.00 1.11 0.00 0.00 32.58 33.62 3mbe s HIS 24 CO 0.23 -0.08 -0.17 -1.21 -0.85 0.00 0.00 174.74 172.66 3mbe s GLU 25 N 0.48 1.25 -0.12 1.40 2.02 -1.21 0.63 118.70 123.15 3mbe s GLU 25 Ca -0.04 -1.40 -0.04 0.00 0.02 0.00 0.00 54.97 53.51 3mbe s GLU 25 Cb -0.05 -1.25 0.06 0.00 0.10 0.00 0.00 34.13 32.98 3mbe s GLU 25 CO -0.02 0.25 0.14 0.12 0.02 0.00 0.00 175.26 175.77 3mbe s PHE 26 N -2.16 -0.09 -1.31 1.61 5.36 -0.82 -0.91 117.98 119.66 3mbe s PHE 26 Ca 0.15 0.30 -0.08 0.00 -0.96 0.00 0.00 56.93 56.35 3mbe s PHE 26 Cb -0.05 -0.40 0.01 0.00 -0.34 0.00 0.00 43.02 42.24 3mbe s PHE 26 CO 0.06 -0.37 1.14 -0.25 -1.46 0.00 0.00 175.22 174.34 3mbe n ASP 27 N 5.31 -5.97 0.00 6.13 8.00 -0.16 -2.48 116.55 127.38 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 -4.93 0.00 0.00 -0.02 0.00 0.00 41.12 36.67 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 -1.91 0.35 3.39 0.44 0.00 -1.26 -4.97 105.19 101.22 3mbe n GLY 28 Ca -0.01 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.64 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 -2.18 5.06 -0.06 1.61 1.01 -1.04 -5.06 116.67 116.01 3mbe s ASP 29 Ca 0.00 -0.45 -0.36 0.00 0.71 0.00 0.00 52.55 52.45 3mbe s ASP 29 Cb 0.00 -1.89 -0.14 0.00 1.01 0.00 0.00 42.92 41.90 3mbe s ASP 29 CO 0.00 -0.11 1.72 1.21 0.21 0.00 0.00 175.17 178.20 3mbe n GLU 30 N 4.89 1.78 0.08 8.23 2.13 -1.26 -1.94 120.64 134.55 3mbe n GLU 30 Ca -0.16 0.65 -0.04 0.00 0.66 0.00 0.00 57.16 58.27 3mbe n GLU 30 Cb 0.50 -2.41 -0.02 0.00 0.27 0.00 0.00 31.44 29.78 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 7.45 -0.23 -7.96 4.31 5.85 -0.13 -3.43 115.31 121.16 3mbe h LEU 31 Ca -0.47 0.01 0.06 0.00 0.84 0.00 0.00 57.88 58.32 3mbe h LEU 31 Cb 1.29 0.06 -0.04 0.00 0.37 0.00 0.00 40.66 42.34 3mbe h LEU 31 CO 0.92 0.08 0.28 0.72 -0.34 0.00 0.00 178.44 180.09 3mbe s PHE 32 N -2.44 -0.09 0.00 1.25 -0.12 -1.22 -1.48 117.98 113.87 3mbe s PHE 32 Ca -0.04 -0.40 0.00 0.00 -0.05 0.00 0.00 56.93 56.44 3mbe s PHE 32 Cb 0.00 0.74 0.00 0.00 -0.63 0.00 0.00 43.02 43.13 3mbe s PHE 32 CO 0.12 -1.27 0.00 2.48 -0.05 0.00 0.00 175.22 176.50 3mbe n TYR 33 N -0.49 0.00 -3.62 3.49 0.18 -0.70 -2.28 117.16 113.74 3mbe n TYR 33 Ca -0.05 0.00 -0.27 0.00 1.88 0.00 0.00 57.90 59.46 3mbe n TYR 33 Cb 0.59 0.00 -0.16 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 -0.68 0.05 -0.71 -3.48 1.01 -1.05 -2.24 120.40 113.32 3mbe s VAL 34 Ca 0.00 -0.42 -0.26 0.00 0.00 0.00 0.00 61.98 61.30 3mbe s VAL 34 Cb 0.00 -0.79 -0.07 0.00 0.00 0.00 0.00 36.38 35.52 3mbe s VAL 34 CO 0.00 -0.40 2.14 -0.62 0.00 0.00 0.00 175.10 176.23 3mbe s ASP 35 N 2.06 4.70 0.46 3.32 -1.08 0.06 -4.73 116.67 121.46 3mbe s ASP 35 Ca 0.04 0.16 0.17 0.00 -0.52 0.00 0.00 52.55 52.39 3mbe s ASP 35 Cb -0.16 -2.54 1.12 0.00 -1.46 0.00 0.00 42.92 39.89 3mbe s ASP 35 CO -0.16 -2.97 1.98 -0.07 0.52 0.00 0.00 175.17 174.47 3mbe h LEU 36 N 19.08 0.27 -0.00 -1.34 3.38 -1.95 1.72 115.31 136.46 3mbe h LEU 36 Ca -0.09 0.01 -0.18 0.00 0.09 0.00 0.00 57.88 57.70 3mbe h LEU 36 Cb 1.10 -0.05 0.01 0.00 0.09 0.00 0.00 40.66 41.82 3mbe h LEU 36 CO 1.15 0.16 -0.72 0.44 0.09 0.00 0.00 178.44 179.56 3mbe h ASP 37 N 0.30 0.63 0.89 -0.43 3.32 -1.98 -3.17 116.42 115.99 3mbe h ASP 37 Ca 0.27 -0.75 0.00 0.00 0.02 0.00 0.00 57.03 56.57 3mbe h ASP 37 Cb 0.67 -0.19 0.00 0.00 0.22 0.00 0.00 39.33 40.02 3mbe h ASP 37 CO -0.06 1.30 -0.49 0.29 -1.72 0.00 0.00 179.24 178.56 3mbe n LYS 38 N -4.12 0.22 -3.56 3.56 5.02 -0.86 -4.96 118.16 113.46 3mbe n LYS 38 Ca -0.10 0.08 -0.21 0.00 -2.02 0.00 0.00 58.31 56.06 3mbe n LYS 38 Cb 0.73 -1.66 0.08 0.00 -0.02 0.00 0.00 35.03 34.15 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 -2.00 -7.08 -4.89 1.97 5.02 0.58 -5.01 118.16 106.75 3mbe n LYS 39 Ca 0.04 0.81 -0.26 0.00 -2.02 0.00 0.00 58.31 56.88 3mbe n LYS 39 Cb 0.42 -5.81 -0.16 0.00 -0.02 0.00 0.00 35.03 29.46 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 -5.92 1.71 -0.84 1.97 -0.14 -1.06 -4.83 119.74 110.62 3mbe s LYS 40 Ca 0.31 -0.65 -0.25 0.00 -1.36 0.00 0.00 55.97 54.02 3mbe s LYS 40 Cb -0.14 -1.55 -0.04 0.00 -1.68 0.00 0.00 37.83 34.42 3mbe s LYS 40 CO 0.74 0.32 1.92 0.99 -0.76 0.00 0.00 175.35 178.56 3mbe s THR 41 N -0.19 3.44 -0.65 2.17 2.01 -1.26 -0.76 115.64 120.40 3mbe s THR 41 Ca 0.01 -0.26 -0.24 0.00 0.31 0.00 0.00 61.69 61.51 3mbe s THR 41 Cb -0.10 -4.02 0.05 0.00 0.01 0.00 0.00 72.50 68.45 3mbe s THR 41 CO 0.01 -0.96 1.04 -0.69 -0.69 0.00 0.00 174.62 173.33 3mbe s VAL 42 N 9.76 4.19 0.65 3.82 1.01 -0.95 -4.96 120.40 133.92 3mbe s VAL 42 Ca 0.69 -0.00 -0.14 0.00 0.00 0.00 0.00 61.98 62.52 3mbe s VAL 42 Cb -0.08 -4.71 -0.00 0.00 0.00 0.00 0.00 36.38 31.59 3mbe s VAL 42 CO 0.04 -1.48 1.08 0.26 0.00 0.00 0.00 175.10 175.00 3mbe s TRP 43 N 4.46 2.79 -0.07 5.22 0.52 -1.26 -1.72 118.94 128.88 3mbe s TRP 43 Ca 0.28 1.52 -0.25 0.00 0.02 0.00 0.00 56.10 57.67 3mbe s TRP 43 Cb -0.14 -3.07 -0.25 0.00 -1.15 0.00 0.00 33.47 28.86 3mbe s TRP 43 CO 0.14 -1.46 0.95 -0.09 0.02 0.00 0.00 176.95 176.51 3mbe h ARG 44 N -0.06 0.15 -5.58 4.98 9.65 -1.53 -3.45 114.38 118.54 3mbe h ARG 44 Ca -0.46 -0.19 -0.67 0.00 -1.10 0.00 0.00 59.98 57.57 3mbe h ARG 44 Cb 1.23 0.06 -0.26 0.00 -1.39 0.00 0.00 29.97 29.61 3mbe h ARG 44 CO 0.55 0.98 -0.76 -0.51 2.80 0.00 0.00 179.97 183.03 3mbe s LEU 45 N -8.36 2.74 0.07 3.80 1.43 -1.26 -5.05 118.68 112.05 3mbe s LEU 45 Ca -0.16 -0.29 -0.20 0.00 -1.03 0.00 0.00 54.13 52.45 3mbe s LEU 45 Cb -0.00 -1.60 -0.08 0.00 0.03 0.00 0.00 46.19 44.54 3mbe s LEU 45 CO 0.74 0.21 1.33 -0.65 0.23 0.00 0.00 176.35 178.22 3mbe h PRO 46 N 6.34 -0.32 -0.62 1.29 0.11 -1.98 -3.13 132.00 133.69 3mbe h PRO 46 Ca -0.31 0.02 0.14 0.00 0.11 0.00 0.00 66.00 65.96 3mbe h PRO 46 Cb 1.20 0.07 -0.12 0.00 0.11 0.00 0.00 31.00 32.26 3mbe h PRO 46 CO 0.54 -0.22 -0.09 0.39 -0.21 0.00 0.00 178.00 178.42 3mbe n GLU 47 N -4.31 -0.05 0.24 1.05 4.71 -1.26 -2.22 120.64 118.80 3mbe n GLU 47 Ca -0.03 0.95 -0.16 0.00 -0.01 0.00 0.00 57.16 57.91 3mbe n GLU 47 Cb 0.23 -1.45 -0.08 0.00 -1.01 0.00 0.00 31.44 29.13 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 -0.51 0.00 -0.32 -1.00 -1.94 -3.20 116.94 109.97 3mbe h PHE 48 Ca 0.33 -0.01 0.00 0.00 2.81 0.00 0.00 57.97 61.09 3mbe h PHE 48 Cb 0.58 0.17 0.00 0.00 3.61 0.00 0.00 35.95 40.31 3mbe h PHE 48 CO -0.41 -0.31 0.00 0.41 -1.61 0.00 0.00 178.31 176.39 3mbe n GLY 49 N -1.29 1.71 0.09 -1.45 0.00 -0.94 -3.43 105.19 99.88 3mbe n GLY 49 Ca -0.11 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.81 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 0.27 0.53 0.00 1.61 1.13 -1.21 -4.85 117.38 114.87 3mbe n GLN 50 Ca 0.00 0.22 0.00 0.00 -1.94 0.00 0.00 57.00 55.28 3mbe n GLN 50 Cb 0.37 -1.44 0.00 0.00 0.11 0.00 0.00 30.24 29.27 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 -4.83 117.00 107.41 3mbe n LEU 51 Ca -0.17 0.20 -0.25 0.00 -0.03 0.00 0.00 56.01 55.77 3mbe n LEU 51 Cb 0.54 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.62 3mbe n LEU 51 CO 0.19 0.00 0.23 0.27 -1.33 0.00 0.00 177.39 176.76 3mbe s ILE 52 N -0.40 5.06 0.08 -0.08 -5.25 -1.26 -5.11 121.20 114.24 3mbe s ILE 52 Ca 0.00 -0.29 0.02 0.00 -0.99 0.00 0.00 60.65 59.39 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 -0.60 -0.06 -0.22 -1.79 0.00 0.00 174.94 172.26 3mbe s LEU 53 N -4.35 2.46 -0.06 0.37 2.96 -1.26 -4.42 118.68 114.38 3mbe s LEU 53 Ca 0.42 -0.92 0.05 0.00 -0.22 0.00 0.00 54.13 53.46 3mbe s LEU 53 Cb -0.10 -0.06 -0.01 0.00 0.50 0.00 0.00 46.19 46.53 3mbe s LEU 53 CO 0.37 -0.43 -0.22 0.12 -1.32 0.00 0.00 176.35 174.88 3mbe s PHE 54 N -3.25 2.15 -0.38 5.38 5.36 -1.26 -5.11 117.98 120.88 3mbe s PHE 54 Ca 0.07 -0.66 -0.23 0.00 -0.96 0.00 0.00 56.93 55.15 3mbe s PHE 54 Cb 0.03 -1.43 0.01 0.00 -0.34 0.00 0.00 43.02 41.29 3mbe s PHE 54 CO -0.04 -0.22 0.80 -1.21 -1.46 0.00 0.00 175.22 173.08 3mbe s GLU 55 N -0.02 3.71 0.56 10.12 0.41 -1.26 -4.80 118.70 127.42 3mbe s GLU 55 Ca -0.05 0.27 0.38 0.00 -0.41 0.00 0.00 54.97 55.16 3mbe s GLU 55 Cb -0.13 -3.83 1.53 0.00 -1.78 0.00 0.00 34.13 29.92 3mbe s GLU 55 CO 0.04 -0.90 1.72 -1.35 -0.49 0.00 0.00 175.26 174.28 3mbe h PRO 56 N 8.56 0.00 -0.04 0.39 0.11 -1.96 0.05 132.00 139.10 3mbe h PRO 56 Ca -0.25 0.00 -0.12 0.00 0.11 0.00 0.00 66.00 65.75 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 -0.51 1.96 -0.21 0.00 0.00 178.00 180.16 3mbe h GLN 57 N 0.00 0.11 -1.20 1.05 1.08 -1.91 -2.06 115.11 112.18 3mbe h GLN 57 Ca 0.59 -0.06 0.34 0.00 -1.45 0.00 0.00 58.65 58.07 3mbe h GLN 57 Cb 2.51 0.00 -0.06 0.00 -0.05 0.00 0.00 27.48 29.89 3mbe h GLN 57 CO -0.01 0.60 0.85 0.78 -0.95 0.00 0.00 178.83 180.11 3mbe h GLY 58 N 1.46 0.16 0.00 3.46 0.00 -1.39 -1.93 103.07 104.82 3mbe h GLY 58 Ca 0.00 -0.02 -0.08 0.00 0.00 0.00 0.00 47.33 47.23 3mbe h GLY 58 CO 0.07 -0.02 -1.48 0.61 0.00 0.00 0.00 176.54 175.72 3mbe n GLY 59 N -1.74 -0.40 0.31 4.60 0.00 -1.05 -3.79 105.19 103.12 3mbe n GLY 59 Ca 0.26 -0.17 0.21 0.00 0.00 0.00 0.00 46.02 46.32 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 0.08 0.99 3.38 -0.99 -0.57 115.31 118.20 3mbe h LEU 60 Ca -0.11 0.00 -0.23 0.00 0.09 0.00 0.00 57.88 57.63 3mbe h LEU 60 Cb 0.96 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.70 3mbe h LEU 60 CO 0.01 0.00 -1.18 1.56 0.09 0.00 0.00 178.44 178.92 3mbe h GLN 61 N 0.00 0.16 -0.70 1.13 4.20 -1.54 -3.23 115.11 115.13 3mbe h GLN 61 Ca 0.00 -0.28 0.14 0.00 0.06 0.00 0.00 58.65 58.57 3mbe h GLN 61 Cb 0.16 0.10 -0.09 0.00 0.30 0.00 0.00 27.48 27.95 3mbe h GLN 61 CO 0.00 1.13 0.23 -0.91 -0.67 0.00 0.00 178.83 178.61 3mbe h ASN 62 N -0.54 0.15 -0.24 1.46 4.21 -1.55 0.15 115.58 119.22 3mbe h ASN 62 Ca -0.27 0.12 0.06 0.00 1.21 0.00 0.00 56.30 57.42 3mbe h ASN 62 Cb 1.56 0.12 -0.01 0.00 -1.12 0.00 0.00 38.32 38.88 3mbe h ASN 62 CO -0.00 0.05 0.17 0.40 -1.29 0.00 0.00 177.43 176.76 3mbe h ILE 63 N 0.36 0.90 0.06 2.81 1.08 -1.23 -0.87 117.51 120.60 3mbe h ILE 63 Ca 0.38 -0.01 -0.27 0.00 -0.39 0.00 0.00 64.86 64.57 3mbe h ILE 63 Cb 0.59 0.86 0.02 0.00 -3.07 0.00 0.00 36.82 35.21 3mbe h ILE 63 CO -0.42 0.01 -1.11 0.00 -0.69 0.00 0.00 178.15 175.94 3mbe h ALA 64 N 1.88 0.15 -0.23 1.87 0.00 -0.77 -2.68 119.26 119.47 3mbe h ALA 64 Ca 0.11 -0.75 -0.09 0.00 0.00 0.00 0.00 54.91 54.19 3mbe h ALA 64 Cb 0.41 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 3mbe h ALA 64 CO -0.01 0.76 -0.23 0.00 0.00 0.00 0.00 179.25 179.77 3mbe h ALA 65 N 0.48 1.17 0.00 0.00 0.00 -0.34 -2.72 119.26 117.85 3mbe h ALA 65 Ca -0.14 -0.32 0.00 0.00 0.00 0.00 0.00 54.91 54.45 3mbe h ALA 65 Cb 1.77 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 19.44 3mbe h ALA 65 CO 0.20 0.53 0.00 0.93 0.00 0.00 0.00 179.25 180.91 3mbe h GLU 66 N 0.38 0.00 0.00 0.00 4.39 -1.19 0.16 114.58 118.32 3mbe h GLU 66 Ca 0.06 0.00 -0.21 0.00 0.34 0.00 0.00 59.36 59.55 3mbe h GLU 66 Cb 0.62 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 29.24 3mbe h GLU 66 CO 0.04 0.00 -1.04 -0.22 -1.16 0.00 0.00 179.01 176.64 3mbe h LYS 67 N 0.00 0.00 0.06 2.33 3.64 -1.18 -2.76 116.57 118.66 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 0.77 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.59 3mbe h LYS 67 CO 0.00 0.97 -0.03 1.25 -2.27 0.00 0.00 179.45 179.37 3mbe h HIS 68 N 0.00 -0.08 -0.98 1.91 2.76 -1.19 -3.24 115.15 114.33 3mbe h HIS 68 Ca -0.02 -0.00 0.09 0.00 -2.20 0.00 0.00 60.37 58.23 3mbe h HIS 68 Cb 1.78 0.03 -0.07 0.00 1.55 0.00 0.00 27.41 30.70 3mbe h HIS 68 CO 0.00 0.48 0.63 -0.91 -1.30 0.00 0.00 177.93 176.82 3mbe h ASN 69 N -0.91 0.95 0.26 3.26 2.35 -0.81 -2.16 115.58 118.51 3mbe h ASN 69 Ca -0.01 0.02 0.00 0.00 -0.55 0.00 0.00 56.30 55.77 3mbe h ASN 69 Cb 0.59 -0.17 -0.04 0.00 0.05 0.00 0.00 38.32 38.75 3mbe h ASN 69 CO 0.01 0.57 -0.51 0.25 -1.65 0.00 0.00 177.43 176.10 3mbe h LEU 70 N 1.05 -1.48 -1.22 1.61 5.85 -1.59 -2.41 115.31 117.12 3mbe h LEU 70 Ca 0.45 0.14 0.27 0.00 0.84 0.00 0.00 57.88 59.59 3mbe h LEU 70 Cb 0.33 0.53 -0.11 0.00 0.37 0.00 0.00 40.66 41.77 3mbe h LEU 70 CO -0.20 -0.59 0.65 1.23 -0.34 0.00 0.00 178.44 179.19 3mbe h GLY 71 N -0.83 1.51 0.81 3.75 0.00 -1.42 0.11 103.07 106.99 3mbe h GLY 71 Ca -0.02 -0.24 -0.01 0.00 0.00 0.00 0.00 47.33 47.06 3mbe h GLY 71 CO -0.20 -0.21 -0.12 -2.22 0.00 0.00 0.00 176.54 173.78 3mbe h ILE 72 N 0.43 0.79 -0.33 2.60 2.04 -1.21 -3.04 117.51 118.80 3mbe h ILE 72 Ca 0.64 -0.38 -0.16 0.00 1.00 0.00 0.00 64.86 65.96 3mbe h ILE 72 Cb 1.50 1.01 -0.00 0.00 -0.74 0.00 0.00 36.82 38.58 3mbe h ILE 72 CO -0.39 0.08 -0.42 -0.07 0.00 0.00 0.00 178.15 177.35 3mbe h LEU 73 N -0.54 0.95 -0.78 1.44 -0.00 -0.79 -0.89 115.31 114.68 3mbe h LEU 73 Ca -0.04 -0.49 0.18 0.00 -0.00 0.00 0.00 57.88 57.54 3mbe h LEU 73 Cb 0.40 -0.27 -0.13 0.00 -0.00 0.00 0.00 40.66 40.66 3mbe h LEU 73 CO 0.06 1.25 0.05 0.74 -0.00 0.00 0.00 178.44 180.53 3mbe h THR 74 N 0.67 0.33 -0.01 0.22 2.02 -0.90 0.30 112.91 115.54 3mbe h THR 74 Ca 0.04 -0.04 -0.10 0.00 0.77 0.00 0.00 66.41 67.08 3mbe h THR 74 Cb 1.02 0.20 0.01 0.00 -1.74 0.00 0.00 68.15 67.64 3mbe h THR 74 CO 0.10 0.02 -0.40 0.50 0.37 0.00 0.00 175.52 176.11 3mbe h LYS 75 N 0.12 0.29 0.00 6.66 3.64 -1.39 -0.65 116.57 125.24 3mbe h LYS 75 Ca 0.44 -0.30 0.00 0.00 -1.27 0.00 0.00 60.65 59.52 3mbe h LYS 75 Cb 0.80 0.08 0.00 0.00 -0.41 0.00 0.00 32.23 32.70 3mbe h LYS 75 CO -0.67 0.99 0.00 -0.09 -2.27 0.00 0.00 179.45 177.41 3mbe h ARG 76 N -0.29 0.00 -0.85 1.90 2.43 -0.20 -1.27 114.38 116.10 3mbe h ARG 76 Ca -0.05 0.00 -0.58 0.00 -0.81 0.00 0.00 59.98 58.55 3mbe h ARG 76 Cb 1.12 0.00 -0.32 0.00 -0.42 0.00 0.00 29.97 30.35 3mbe h ARG 76 CO 0.08 0.00 0.16 -1.13 -1.51 0.00 0.00 179.97 177.56 3mbe n SER 77 N -2.72 5.98 -0.80 -3.80 3.41 0.00 -4.90 113.62 110.79 3mbe n SER 77 Ca -0.02 -3.77 -0.07 0.00 -0.26 0.00 0.00 58.87 54.76 3mbe n SER 77 Cb 0.10 -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 -0.88 -3.25 -1.71 4.04 3.02 -0.48 -1.45 115.26 114.55 3mbe n ASN 78 Ca 0.53 0.18 -0.03 0.00 -0.03 0.00 0.00 54.58 55.22 3mbe n ASN 78 Cb 0.86 -2.67 0.02 0.00 -0.61 0.00 0.00 39.78 37.38 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 -1.53 -0.50 -2.87 3.10 3.01 -0.25 -5.02 117.46 113.40 3mbe n PHE 79 Ca -0.07 0.19 -0.43 0.00 1.01 0.00 0.00 57.45 58.16 3mbe n PHE 79 Cb 0.35 -2.77 -0.04 0.00 -0.01 0.00 0.00 39.48 37.01 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 -3.08 4.62 0.93 4.37 2.01 -0.53 -5.05 115.64 118.91 3mbe s THR 80 Ca 0.05 0.94 -0.12 0.00 0.31 0.00 0.00 61.69 62.88 3mbe s THR 80 Cb -0.01 -4.31 0.15 0.00 0.01 0.00 0.00 72.50 68.34 3mbe s THR 80 CO 0.16 -0.57 1.09 -2.84 -0.69 0.00 0.00 174.62 171.77 3mbe s PRO 81 N 3.39 1.00 0.42 4.92 0.02 -1.26 -5.03 135.00 138.46 3mbe s PRO 81 Ca 0.35 0.70 -0.10 0.00 0.02 0.00 0.00 61.00 61.97 3mbe s PRO 81 Cb -0.12 -1.79 -0.06 0.00 0.02 0.00 0.00 34.50 32.55 3mbe s PRO 81 CO 0.20 -2.39 0.78 0.00 -0.33 0.00 0.00 177.00 175.26 3mbe s ALA 82 N -2.96 3.34 -0.39 -1.55 0.00 -1.26 -5.06 121.76 113.89 3mbe s ALA 82 Ca 0.64 -0.22 -0.15 0.00 0.00 0.00 0.00 51.96 52.23 3mbe s ALA 82 Cb -0.18 -2.71 0.01 0.00 0.00 0.00 0.00 23.12 20.24 3mbe s ALA 82 CO 0.57 -0.07 0.31 0.99 0.00 0.00 0.00 175.76 177.57 3mbe s THR 83 N -2.43 5.23 0.16 0.00 2.01 -1.26 -4.99 115.64 114.35 3mbe s THR 83 Ca 0.51 -0.45 -0.31 0.00 0.31 0.00 0.00 61.69 61.75 3mbe s THR 83 Cb -0.10 -3.89 -0.11 0.00 0.01 0.00 0.00 72.50 68.41 3mbe s THR 83 CO 0.33 -0.24 1.74 0.20 -0.69 0.00 0.00 174.62 175.97 3mbe s ASN 84 N 1.71 6.44 0.07 3.53 0.01 -1.26 -4.62 114.94 120.83 3mbe s ASN 84 Ca 0.07 2.76 0.07 0.00 -0.71 0.00 0.00 52.86 55.04 3mbe s ASN 84 Cb -0.18 -2.58 -0.04 0.00 0.41 0.00 0.00 41.25 38.86 3mbe s ASN 84 CO 0.11 -0.96 -0.13 -1.61 -1.51 0.00 0.00 177.10 173.00 3mbe s GLU 85 N 1.94 2.13 0.02 -0.60 2.02 0.75 -4.81 118.70 120.15 3mbe s GLU 85 Ca 0.77 -0.98 -0.24 0.00 0.02 0.00 0.00 54.97 54.53 3mbe s GLU 85 Cb -0.47 -2.27 -0.05 0.00 0.10 0.00 0.00 34.13 31.44 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 -1.08 3.38 0.33 5.21 0.00 -1.26 -4.22 121.76 124.11 3mbe s ALA 86 Ca 0.18 0.23 -0.26 0.00 0.00 0.00 0.00 51.96 52.10 3mbe s ALA 86 Cb -0.11 -2.96 -0.10 0.00 0.00 0.00 0.00 23.12 19.96 3mbe s ALA 86 CO 0.09 0.05 0.97 -2.14 0.00 0.00 0.00 175.76 174.74 3mbe s PRO 87 N 0.08 4.54 -0.25 0.00 0.02 -1.14 -4.74 135.00 133.51 3mbe s PRO 87 Ca 0.37 1.41 0.02 0.00 0.02 0.00 0.00 61.00 62.83 3mbe s PRO 87 Cb -0.20 -2.83 0.05 0.00 0.02 0.00 0.00 34.50 31.55 3mbe s PRO 87 CO 0.21 0.22 -0.11 -0.65 -0.33 0.00 0.00 177.00 176.35 3mbe s GLN 88 N -2.01 2.34 0.25 5.54 1.11 0.07 -4.88 119.66 122.09 3mbe s GLN 88 Ca 0.50 -1.28 -0.17 0.00 0.01 0.00 0.00 55.36 54.42 3mbe s GLN 88 Cb -0.21 -2.88 -0.08 0.00 -1.01 0.00 0.00 33.01 28.83 3mbe s GLN 88 CO 0.26 -0.53 0.72 0.00 0.01 0.00 0.00 175.29 175.75 3mbe s ALA 89 N 1.14 3.39 -0.32 6.09 0.00 -1.26 -2.07 121.76 128.72 3mbe s ALA 89 Ca -0.07 0.10 0.01 0.00 0.00 0.00 0.00 51.96 51.99 3mbe s ALA 89 Cb -0.19 -2.78 0.14 0.00 0.00 0.00 0.00 23.12 20.29 3mbe s ALA 89 CO -0.06 0.34 0.30 0.99 0.00 0.00 0.00 175.76 177.34 3mbe s THR 90 N -1.69 -0.31 0.30 0.00 2.01 0.32 -4.98 115.64 111.28 3mbe s THR 90 Ca 0.47 -0.78 -0.21 0.00 0.31 0.00 0.00 61.69 61.48 3mbe s THR 90 Cb -0.14 -0.89 -0.09 0.00 0.01 0.00 0.00 72.50 71.39 3mbe s THR 90 CO 0.20 -0.57 0.82 -0.69 -0.69 0.00 0.00 174.62 173.69 3mbe s VAL 91 N 1.92 4.46 -0.21 3.82 1.01 -1.26 -2.37 120.40 127.76 3mbe s VAL 91 Ca 0.13 1.41 -0.31 0.00 0.00 0.00 0.00 61.98 63.21 3mbe s VAL 91 Cb -0.15 -3.82 0.16 0.00 0.00 0.00 0.00 36.38 32.56 3mbe s VAL 91 CO -0.20 0.05 1.20 0.72 0.00 0.00 0.00 175.10 176.86 3mbe s PHE 92 N -1.72 -0.17 0.58 5.22 -0.12 -0.66 -5.00 117.98 116.11 3mbe s PHE 92 Ca 0.50 0.24 -0.17 0.00 -0.05 0.00 0.00 56.93 57.45 3mbe s PHE 92 Cb -0.15 0.49 -0.04 0.00 -0.63 0.00 0.00 43.02 42.69 3mbe s PHE 92 CO 0.20 -0.19 1.07 -2.14 -0.05 0.00 0.00 175.22 174.11 3mbe s PRO 93 N -1.49 3.32 0.18 1.99 0.02 -1.26 -1.05 135.00 136.71 3mbe s PRO 93 Ca 0.06 1.30 0.19 0.00 0.02 0.00 0.00 61.00 62.56 3mbe s PRO 93 Cb -0.01 -2.03 -0.01 0.00 0.02 0.00 0.00 34.50 32.47 3mbe s PRO 93 CO -0.04 -0.82 1.08 -0.22 -0.33 0.00 0.00 177.00 176.67 3mbe h LYS 94 N 0.63 0.00 -3.64 5.54 3.64 -1.41 -3.46 116.57 117.87 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 -0.12 0.00 -0.41 0.00 0.00 32.23 32.92 3mbe h LYS 94 CO 0.57 0.23 -0.21 -1.54 -2.27 0.00 0.00 179.45 176.23 3mbe s SER 95 N -5.85 -0.06 -0.50 4.20 1.04 -1.26 -5.02 113.70 106.25 3mbe s SER 95 Ca 0.00 -0.62 -0.45 0.00 0.48 0.00 0.00 55.95 55.37 3mbe s SER 95 Cb 0.08 0.45 -0.19 0.00 0.10 0.00 0.00 66.02 66.46 3mbe s SER 95 CO 0.78 -0.88 1.95 -2.65 0.98 0.00 0.00 173.24 173.43 3mbe n PRO 96 N -0.21 0.03 -2.22 4.02 -0.02 -1.26 -4.83 135.00 130.52 3mbe n PRO 96 Ca -0.12 0.01 -0.43 0.00 -2.02 0.00 0.00 63.50 60.94 3mbe n PRO 96 Cb 0.63 -1.52 -0.02 0.00 -0.02 0.00 0.00 33.50 32.56 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 4.98 3.83 -0.06 -1.45 1.01 -1.26 -5.00 120.40 122.45 3mbe s VAL 97 Ca 1.15 0.92 0.05 0.00 0.00 0.00 0.00 61.98 64.09 3mbe s VAL 97 Cb -1.49 -3.89 -0.01 0.00 0.00 0.00 0.00 36.38 31.00 3mbe s VAL 97 CO 0.71 -0.41 -0.22 -0.76 0.00 0.00 0.00 175.10 174.42 3mbe s LEU 98 N 5.14 2.00 0.28 3.92 1.43 -1.26 -5.11 118.68 125.08 3mbe s LEU 98 Ca 0.67 -0.45 -0.30 0.00 -1.03 0.00 0.00 54.13 53.01 3mbe s LEU 98 Cb -0.21 -1.21 -0.13 0.00 0.03 0.00 0.00 46.19 44.67 3mbe s LEU 98 CO 0.28 0.20 1.44 0.18 0.23 0.00 0.00 176.35 178.68 3mbe n LEU 99 N 3.09 3.58 -3.64 1.79 4.77 -1.26 -2.54 117.00 122.79 3mbe n LEU 99 Ca -0.18 1.16 -0.23 0.00 -0.03 0.00 0.00 56.01 56.73 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 -0.29 0.14 0.61 -1.33 0.00 0.00 177.39 176.78 3mbe n GLY 100 N 1.86 -0.46 2.75 -0.72 0.00 -0.94 -4.93 105.19 102.75 3mbe n GLY 100 Ca 0.09 0.19 -0.23 0.00 0.00 0.00 0.00 46.02 46.07 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 -0.31 1.61 -1.52 -1.05 -4.96 119.66 107.82 3mbe s GLN 101 Ca 0.38 0.11 -0.39 0.00 -1.95 0.00 0.00 55.36 53.50 3mbe s GLN 101 Cb -0.18 -1.01 -0.15 0.00 -0.22 0.00 0.00 33.01 31.46 3mbe s GLN 101 CO 0.76 -0.34 1.86 -2.30 -0.25 0.00 0.00 175.29 175.02 3mbe n PRO 102 N 5.17 1.09 -1.63 2.91 -0.02 -1.26 -4.21 135.00 137.05 3mbe n PRO 102 Ca -0.07 0.38 0.00 0.00 -2.02 0.00 0.00 63.50 61.79 3mbe n PRO 102 Cb 0.50 -2.15 0.00 0.00 -0.02 0.00 0.00 33.50 31.83 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 6.42 1.17 -3.81 2.55 2.85 -0.40 -4.98 115.26 119.06 3mbe n ASN 103 Ca 0.31 -0.82 -0.14 0.00 -0.11 0.00 0.00 54.58 53.83 3mbe n ASN 103 Cb 0.14 0.00 -0.15 0.00 1.24 0.00 0.00 39.78 41.01 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 -1.12 -0.03 -0.37 -0.44 2.01 -1.26 -1.86 115.64 112.56 3mbe s THR 104 Ca 0.00 0.12 -0.08 0.00 0.31 0.00 0.00 61.69 62.04 3mbe s THR 104 Cb 0.00 -0.07 0.05 0.00 0.01 0.00 0.00 72.50 72.49 3mbe s THR 104 CO 0.00 0.05 0.17 -0.22 -0.69 0.00 0.00 174.62 173.93 3mbe s LEU 105 N 0.59 4.67 0.21 4.42 0.20 0.65 -0.88 118.68 128.54 3mbe s LEU 105 Ca -0.05 -1.26 -0.17 0.00 0.69 0.00 0.00 54.13 53.34 3mbe s LEU 105 Cb -0.07 -1.93 -0.08 0.00 -0.43 0.00 0.00 46.19 43.68 3mbe s LEU 105 CO -0.02 -0.41 0.66 -0.63 -0.29 0.00 0.00 176.35 175.67 3mbe s ILE 106 N 1.42 4.69 -0.35 6.68 1.01 -0.21 -0.74 121.20 133.70 3mbe s ILE 106 Ca 0.01 1.07 0.00 0.00 0.00 0.00 0.00 60.65 61.73 3mbe s ILE 106 Cb -0.21 -3.78 0.11 0.00 0.01 0.00 0.00 42.46 38.59 3mbe s ILE 106 CO 0.03 0.17 0.13 0.00 0.00 0.00 0.00 174.94 175.28 3mbe s PHE 108 N 1.19 3.39 -0.08 0.00 5.36 -1.00 -2.33 117.98 124.51 3mbe s PHE 108 Ca 0.12 1.13 0.03 0.00 -0.96 0.00 0.00 56.93 57.25 3mbe s PHE 108 Cb -0.20 -2.95 -0.02 0.00 -0.34 0.00 0.00 43.02 39.52 3mbe s PHE 108 CO -0.16 -0.24 -0.16 0.08 -1.46 0.00 0.00 175.22 173.28 3mbe s VAL 109 N 2.16 2.85 0.30 3.12 1.01 -0.33 -0.52 120.40 128.99 3mbe s VAL 109 Ca 0.35 -0.77 0.03 0.00 0.00 0.00 0.00 61.98 61.58 3mbe s VAL 109 Cb -0.16 -2.14 -0.05 0.00 0.00 0.00 0.00 36.38 34.03 3mbe s VAL 109 CO 0.11 0.56 0.09 -0.62 0.00 0.00 0.00 175.10 175.24 3mbe s ASP 110 N -0.17 1.83 -0.74 3.32 -1.08 -0.88 -1.87 116.67 117.07 3mbe s ASP 110 Ca -0.01 -1.43 -0.02 0.00 -0.52 0.00 0.00 52.55 50.57 3mbe s ASP 110 Cb -0.13 0.13 0.00 0.00 -1.46 0.00 0.00 42.92 41.45 3mbe s ASP 110 CO 0.03 -0.72 0.66 -3.20 0.52 0.00 0.00 175.17 172.46 3mbe n ASN 111 N -0.67 -6.69 -4.57 -0.34 5.15 -1.15 -0.75 115.26 106.24 3mbe n ASN 111 Ca -0.01 -0.36 -0.31 0.00 -0.60 0.00 0.00 54.58 53.30 3mbe n ASN 111 Cb 0.66 -3.90 -0.10 0.00 -0.53 0.00 0.00 39.78 35.90 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 -2.92 3.43 0.00 -1.44 1.01 -0.86 -2.89 121.20 117.53 3mbe s ILE 112 Ca 0.03 -1.02 0.00 0.00 0.00 0.00 0.00 60.65 59.65 3mbe s ILE 112 Cb -0.01 -2.53 0.00 0.00 0.01 0.00 0.00 42.46 39.93 3mbe s ILE 112 CO 0.81 0.27 0.00 0.33 0.00 0.00 0.00 174.94 176.35 3mbe n PHE 113 N 1.21 0.00 -1.35 3.97 7.35 -1.26 -2.41 117.46 124.97 3mbe n PHE 113 Ca -0.15 0.00 -0.35 0.00 -0.76 0.00 0.00 57.45 56.20 3mbe n PHE 113 Cb 0.52 0.00 0.11 0.00 0.35 0.00 0.00 39.48 40.46 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 0.54 -0.89 -7.13 -0.02 -1.26 -0.18 135.00 126.07 3mbe n PRO 114 Ca 0.00 0.26 -0.30 0.00 -2.02 0.00 0.00 63.50 61.43 3mbe n PRO 114 Cb 0.00 -2.48 -0.03 0.00 -0.02 0.00 0.00 33.50 30.97 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 -2.77 1.77 -3.51 0.52 -0.02 -1.26 -4.71 135.00 125.02 3mbe n PRO 115 Ca 0.15 -1.59 -0.25 0.00 -2.02 0.00 0.00 63.50 59.79 3mbe n PRO 115 Cb 0.49 -2.63 -0.14 0.00 -0.02 0.00 0.00 33.50 31.21 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 4.14 -0.18 0.03 -1.45 1.01 -1.26 -5.08 120.40 117.61 3mbe s VAL 116 Ca 0.46 -0.59 0.05 0.00 0.00 0.00 0.00 61.98 61.89 3mbe s VAL 116 Cb 0.12 -0.92 -0.02 0.00 0.00 0.00 0.00 36.38 35.55 3mbe s VAL 116 CO 0.03 -0.58 -0.14 -0.51 0.00 0.00 0.00 175.10 173.89 3mbe s ILE 117 N 2.19 1.14 -0.79 2.22 1.10 -1.26 -4.70 121.20 121.09 3mbe s ILE 117 Ca 0.08 -0.94 0.01 0.00 -0.51 0.00 0.00 60.65 59.30 3mbe s ILE 117 Cb -0.15 -1.01 0.19 0.00 0.15 0.00 0.00 42.46 41.63 3mbe s ILE 117 CO -0.32 0.07 0.63 0.20 -2.11 0.00 0.00 174.94 173.41 3mbe s ASN 118 N -0.99 5.43 -0.08 4.50 0.01 -0.77 -5.00 114.94 118.04 3mbe s ASN 118 Ca 0.03 -3.69 -0.26 0.00 -0.71 0.00 0.00 52.86 48.22 3mbe s ASN 118 Cb -0.07 -1.79 -0.03 0.00 0.41 0.00 0.00 41.25 39.77 3mbe s ASN 118 CO 0.01 -0.16 0.82 -0.63 -1.51 0.00 0.00 177.10 175.63 3mbe s ILE 119 N -1.27 4.94 0.00 0.60 1.01 -1.26 -2.20 121.20 123.03 3mbe s ILE 119 Ca 0.25 1.68 -0.00 0.00 0.00 0.00 0.00 60.65 62.58 3mbe s ILE 119 Cb -0.08 -4.15 -0.01 0.00 0.01 0.00 0.00 42.46 38.24 3mbe s ILE 119 CO -0.13 0.15 -0.00 0.42 0.00 0.00 0.00 174.94 175.38 3mbe s THR 120 N 1.32 0.03 0.50 2.92 -4.23 0.23 -5.01 115.64 111.40 3mbe s THR 120 Ca 0.42 -0.28 -0.04 0.00 -1.18 0.00 0.00 61.69 60.61 3mbe s THR 120 Cb -0.18 -0.09 -0.01 0.00 1.34 0.00 0.00 72.50 73.55 3mbe s THR 120 CO 0.19 -0.15 0.78 0.26 -0.54 0.00 0.00 174.62 175.16 3mbe s TRP 121 N -0.45 3.38 -0.23 3.99 0.52 -1.26 0.36 118.94 125.25 3mbe s TRP 121 Ca -0.05 0.59 -0.08 0.00 0.02 0.00 0.00 56.10 56.58 3mbe s TRP 121 Cb -0.03 -2.43 0.10 0.00 -1.15 0.00 0.00 33.47 29.97 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 -4.76 -0.78 -0.18 2.99 2.96 -0.40 -3.33 118.68 115.18 3mbe s LEU 122 Ca 0.49 1.18 -0.01 0.00 -0.22 0.00 0.00 54.13 55.57 3mbe s LEU 122 Cb -0.10 1.68 -0.00 0.00 0.50 0.00 0.00 46.19 48.26 3mbe s LEU 122 CO 0.43 -0.23 -0.11 -0.60 -1.32 0.00 0.00 176.35 174.52 3mbe s ARG 123 N 2.62 3.30 -1.28 1.98 3.52 -0.24 -0.32 118.95 128.53 3mbe s ARG 123 Ca -0.04 -0.69 -0.02 0.00 -0.13 0.00 0.00 55.73 54.85 3mbe s ARG 123 Cb -0.12 -2.77 0.01 0.00 -1.56 0.00 0.00 34.95 30.51 3mbe s ARG 123 CO -0.15 -0.05 0.91 0.09 -0.81 0.00 0.00 175.30 175.29 3mbe n ASN 124 N 4.29 -2.32 0.00 -2.12 3.02 0.65 -1.74 115.26 117.04 3mbe n ASN 124 Ca -0.19 -0.69 0.00 0.00 -0.03 0.00 0.00 54.58 53.67 3mbe n ASN 124 Cb 0.51 -4.66 0.00 0.00 -0.61 0.00 0.00 39.78 35.03 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 -3.07 -2.99 -4.19 6.41 7.64 -1.26 -4.94 113.62 111.21 3mbe n SER 125 Ca -0.24 0.00 -0.26 0.00 1.01 0.00 0.00 58.87 59.38 3mbe n SER 125 Cb 0.65 -2.86 -0.16 0.00 -1.01 0.00 0.00 64.21 60.84 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 -1.43 1.56 1.04 1.43 -2.85 -0.71 -5.12 119.74 113.66 3mbe s LYS 126 Ca 0.00 -0.67 -0.12 0.00 -1.00 0.00 0.00 55.97 54.18 3mbe s LYS 126 Cb 0.00 -1.49 0.21 0.00 -2.06 0.00 0.00 37.83 34.49 3mbe s LYS 126 CO 0.00 0.39 1.07 -1.54 0.10 0.00 0.00 175.35 175.37 3mbe s SER 127 N -0.40 2.06 0.08 0.03 1.04 -1.26 -1.08 113.70 114.16 3mbe s SER 127 Ca 0.06 1.58 0.03 0.00 0.48 0.00 0.00 55.95 58.11 3mbe s SER 127 Cb -0.08 -2.26 -0.03 0.00 0.10 0.00 0.00 66.02 63.75 3mbe s SER 127 CO -0.00 -3.54 -0.10 -0.69 0.98 0.00 0.00 173.24 169.89 3mbe s VAL 128 N -2.66 0.83 0.00 5.02 1.01 -1.21 -4.63 120.40 118.76 3mbe s VAL 128 Ca 0.67 -1.45 0.00 0.00 0.00 0.00 0.00 61.98 61.20 3mbe s VAL 128 Cb -0.22 -1.12 0.00 0.00 0.00 0.00 0.00 36.38 35.04 3mbe s VAL 128 CO 0.61 -0.48 0.00 0.35 0.00 0.00 0.00 175.10 175.58 3mbe n THR 129 N 0.89 0.00 -3.61 3.92 -2.24 -1.26 -4.58 114.28 107.39 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 0.44 -0.07 0.00 -2.10 0.00 0.00 70.33 69.16 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 6.40 0.00 3.42 1.01 -1.26 -4.22 116.67 122.02 3mbe s ASP 130 Ca 0.00 0.46 0.00 0.00 0.71 0.00 0.00 52.55 53.72 3mbe s ASP 130 Cb 0.00 -2.15 0.00 0.00 1.01 0.00 0.00 42.92 41.78 3mbe s ASP 130 CO 0.00 0.16 0.00 0.61 0.21 0.00 0.00 175.17 176.15 3mbe n GLY 131 N 3.20 0.75 3.42 0.21 0.00 -1.26 -4.79 105.19 106.71 3mbe n GLY 131 Ca -0.14 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.44 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 -2.41 4.85 0.55 1.61 1.01 -1.26 -3.65 120.40 121.10 3mbe s VAL 132 Ca 0.00 -0.67 0.01 0.00 0.00 0.00 0.00 61.98 61.32 3mbe s VAL 132 Cb 0.00 -4.37 0.03 0.00 0.00 0.00 0.00 36.38 32.04 3mbe s VAL 132 CO 0.00 -0.93 0.78 -0.47 0.00 0.00 0.00 175.10 174.48 3mbe s TYR 133 N 2.67 2.88 -0.30 5.22 5.04 -1.01 -4.93 117.35 126.92 3mbe s TYR 133 Ca 0.14 0.02 -0.12 0.00 -2.44 0.00 0.00 57.07 54.67 3mbe s TYR 133 Cb -0.21 -2.75 0.14 0.00 0.35 0.00 0.00 41.96 39.49 3mbe s TYR 133 CO 0.10 -0.88 0.76 -2.00 -1.34 0.00 0.00 175.55 172.19 3mbe s GLU 134 N -4.78 0.49 0.53 4.97 2.12 -1.26 -1.70 118.70 119.07 3mbe s GLU 134 Ca 0.57 1.22 -0.16 0.00 0.36 0.00 0.00 54.97 56.95 3mbe s GLU 134 Cb -0.10 0.72 -0.07 0.00 0.26 0.00 0.00 34.13 34.94 3mbe s GLU 134 CO 0.39 -0.17 1.00 0.95 -0.54 0.00 0.00 175.26 176.89 3mbe s THR 135 N 2.72 4.43 1.20 -1.70 -4.23 -0.87 -5.01 115.64 112.17 3mbe s THR 135 Ca -0.05 1.16 -0.16 0.00 -1.18 0.00 0.00 61.69 61.45 3mbe s THR 135 Cb -0.10 -3.67 0.28 0.00 1.34 0.00 0.00 72.50 70.35 3mbe s THR 135 CO -0.19 -0.67 1.04 -0.94 -0.54 0.00 0.00 174.62 173.32 3mbe s SER 136 N -3.06 0.84 -0.32 3.99 1.04 -1.26 -4.45 113.70 110.49 3mbe s SER 136 Ca 0.59 1.10 -0.29 0.00 0.48 0.00 0.00 55.95 57.84 3mbe s SER 136 Cb -0.11 -1.67 -0.02 0.00 0.10 0.00 0.00 66.02 64.32 3mbe s SER 136 CO 0.33 -4.23 1.70 -0.36 0.98 0.00 0.00 173.24 171.66 3mbe s PHE 137 N -2.65 1.96 0.33 5.02 0.08 -1.26 -4.70 117.98 116.76 3mbe s PHE 137 Ca 0.68 0.61 -0.09 0.00 0.12 0.00 0.00 56.93 58.25 3mbe s PHE 137 Cb -0.18 -4.13 -0.06 0.00 -0.57 0.00 0.00 43.02 38.08 3mbe s PHE 137 CO 0.60 -2.82 0.66 -0.51 -0.10 0.00 0.00 175.22 173.05 3mbe s LEU 138 N 6.28 3.98 0.31 -0.37 1.02 -1.06 -4.91 118.68 123.93 3mbe s LEU 138 Ca 0.75 0.96 -0.06 0.00 0.02 0.00 0.00 54.13 55.80 3mbe s LEU 138 Cb -0.22 -3.80 -0.06 0.00 0.02 0.00 0.00 46.19 42.14 3mbe s LEU 138 CO 0.33 -0.26 0.60 0.68 0.02 0.00 0.00 176.35 177.72 3mbe s VAL 139 N -2.15 4.97 0.34 -1.59 -7.23 -1.26 -1.46 120.40 112.01 3mbe s VAL 139 Ca 0.48 0.20 0.08 0.00 -1.81 0.00 0.00 61.98 60.93 3mbe s VAL 139 Cb -0.11 -3.73 -0.04 0.00 0.56 0.00 0.00 36.38 33.06 3mbe s VAL 139 CO 0.28 -0.35 0.12 0.20 -0.31 0.00 0.00 175.10 175.04 3mbe s ASN 140 N -3.12 4.62 0.46 4.85 0.01 -0.05 -4.83 114.94 116.88 3mbe s ASN 140 Ca 0.46 -0.79 0.29 0.00 -0.71 0.00 0.00 52.86 52.10 3mbe s ASN 140 Cb -0.11 -0.71 1.01 0.00 0.41 0.00 0.00 41.25 41.85 3mbe s ASN 140 CO 0.30 -0.28 1.84 -0.09 -1.51 0.00 0.00 177.10 177.36 3mbe h ARG 141 N 1.59 0.00 -0.43 -0.60 2.43 -1.99 -2.69 114.38 112.69 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 0.64 0.00 0.00 -0.40 -1.51 0.00 0.00 179.97 178.70 3mbe n ASP 142 N -2.91 3.23 0.00 -3.80 5.75 -1.26 -4.94 116.55 112.63 3mbe n ASP 142 Ca 0.02 -1.96 0.00 0.00 -0.01 0.00 0.00 54.79 52.84 3mbe n ASP 142 Cb 0.36 -0.28 0.00 0.00 -1.03 0.00 0.00 41.12 40.17 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 1.32 0.00 -3.00 2.11 8.25 -1.01 -5.04 115.22 117.85 3mbe n HIS 143 Ca 0.20 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.66 3mbe n HIS 143 Cb 0.56 -0.40 0.00 0.00 1.12 0.00 0.00 29.99 31.27 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 1.59 0.98 -4.08 0.41 3.41 -1.26 -4.91 113.62 109.76 3mbe n SER 144 Ca 0.00 -0.51 -0.07 0.00 -0.26 0.00 0.00 58.87 58.03 3mbe n SER 144 Cb 0.00 0.00 -0.10 0.00 -0.26 0.00 0.00 64.21 63.85 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 0.75 0.53 -0.04 7.33 0.40 -1.01 -0.87 117.98 125.07 3mbe s PHE 145 Ca 0.00 -1.05 0.00 0.00 -0.60 0.00 0.00 56.93 55.28 3mbe s PHE 145 Cb 0.00 -0.37 0.03 0.00 0.51 0.00 0.00 43.02 43.18 3mbe s PHE 145 CO 0.00 -0.41 -0.01 -3.38 0.70 0.00 0.00 175.22 172.12 3mbe s HIS 146 N -3.93 0.51 0.36 0.36 -3.43 -0.53 -2.03 115.29 106.60 3mbe s HIS 146 Ca 0.09 -0.08 0.08 0.00 -0.80 0.00 0.00 55.06 54.34 3mbe s HIS 146 Cb 0.08 -0.58 -0.03 0.00 -1.43 0.00 0.00 32.58 30.62 3mbe s HIS 146 CO -0.09 -0.20 0.30 0.21 -2.00 0.00 0.00 174.74 172.96 3mbe s LYS 147 N 1.27 2.61 -0.00 -0.38 2.20 -0.78 -2.57 119.74 122.10 3mbe s LYS 147 Ca -0.06 -1.41 0.00 0.00 -0.36 0.00 0.00 55.97 54.15 3mbe s LYS 147 Cb -0.13 -2.40 -0.00 0.00 -1.51 0.00 0.00 37.83 33.79 3mbe s LYS 147 CO -0.02 0.01 -0.01 -0.51 -0.36 0.00 0.00 175.35 174.45 3mbe s LEU 148 N -4.01 2.00 -0.21 5.43 1.02 -1.26 -1.18 118.68 120.46 3mbe s LEU 148 Ca 0.43 -0.03 0.02 0.00 0.02 0.00 0.00 54.13 54.56 3mbe s LEU 148 Cb -0.04 -0.07 0.04 0.00 0.02 0.00 0.00 46.19 46.13 3mbe s LEU 148 CO 0.26 0.02 -0.15 -0.55 0.02 0.00 0.00 176.35 175.95 3mbe s SER 149 N -0.04 3.66 0.20 2.29 0.15 -0.98 -2.06 113.70 116.92 3mbe s SER 149 Ca 0.00 -0.96 -0.06 0.00 0.70 0.00 0.00 55.95 55.63 3mbe s SER 149 Cb -0.01 -1.48 -0.06 0.00 -1.71 0.00 0.00 66.02 62.77 3mbe s SER 149 CO -0.00 -0.09 0.47 -0.31 1.20 0.00 0.00 173.24 174.51 3mbe s TYR 150 N 1.23 3.46 -0.22 3.44 1.51 -0.69 -1.36 117.35 124.73 3mbe s TYR 150 Ca -0.01 0.67 -0.04 0.00 -1.01 0.00 0.00 57.07 56.68 3mbe s TYR 150 Cb -0.16 -2.10 0.12 0.00 -0.11 0.00 0.00 41.96 39.71 3mbe s TYR 150 CO -0.09 0.33 0.34 -1.17 -1.11 0.00 0.00 175.55 173.84 3mbe s LEU 151 N -2.90 -0.49 0.39 -1.29 2.96 0.08 -2.41 118.68 115.02 3mbe s LEU 151 Ca 0.44 0.22 -0.25 0.00 -0.22 0.00 0.00 54.13 54.32 3mbe s LEU 151 Cb -0.11 0.94 -0.09 0.00 0.50 0.00 0.00 46.19 47.43 3mbe s LEU 151 CO 0.25 -0.29 1.08 0.42 -1.32 0.00 0.00 176.35 176.48 3mbe s THR 152 N 2.49 3.58 0.29 3.68 -4.23 -1.24 0.24 115.64 120.45 3mbe s THR 152 Ca 0.09 1.25 -0.13 0.00 -1.18 0.00 0.00 61.69 61.73 3mbe s THR 152 Cb -0.15 -3.67 0.05 0.00 1.34 0.00 0.00 72.50 70.07 3mbe s THR 152 CO -0.14 0.05 0.66 2.22 -0.54 0.00 0.00 174.62 176.87 3mbe n PHE 153 N 0.03 -1.95 -4.15 3.99 -1.74 -0.78 -4.87 117.46 107.99 3mbe n PHE 153 Ca 0.04 -1.40 -0.32 0.00 -0.56 0.00 0.00 57.45 55.21 3mbe n PHE 153 Cb 0.49 0.70 -0.16 0.00 1.52 0.00 0.00 39.48 42.02 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 -2.27 1.98 -0.58 1.97 -1.09 -1.26 -1.27 121.20 118.69 3mbe s ILE 154 Ca 0.13 -0.90 -0.31 0.00 -2.23 0.00 0.00 60.65 57.35 3mbe s ILE 154 Cb -0.04 -1.80 -0.13 0.00 -1.58 0.00 0.00 42.46 38.92 3mbe s ILE 154 CO 0.09 0.53 2.41 -2.65 -1.23 0.00 0.00 174.94 174.08 3mbe n PRO 155 N 4.59 0.75 -4.95 2.79 -0.02 -1.26 -4.80 135.00 132.11 3mbe n PRO 155 Ca -0.20 0.11 -0.27 0.00 -2.02 0.00 0.00 63.50 61.11 3mbe n PRO 155 Cb 0.50 -2.51 -0.16 0.00 -0.02 0.00 0.00 33.50 31.31 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 9.42 2.38 0.00 2.55 0.15 -1.26 -2.20 113.70 124.74 3mbe s SER 156 Ca 1.13 -0.39 0.30 0.00 0.70 0.00 0.00 55.95 57.69 3mbe s SER 156 Cb -0.75 -0.60 1.40 0.00 -1.71 0.00 0.00 66.02 64.36 3mbe s SER 156 CO 0.42 0.19 1.96 0.47 1.20 0.00 0.00 173.24 177.47 3mbe n ASP 157 N 3.02 0.40 0.07 5.45 9.92 -1.26 -3.55 116.55 130.60 3mbe n ASP 157 Ca -0.17 -0.69 -0.04 0.00 -0.53 0.00 0.00 54.79 53.35 3mbe n ASP 157 Cb 0.53 -0.08 -0.08 0.00 -0.64 0.00 0.00 41.12 40.84 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 0.53 0.00 -2.92 -2.24 3.32 -1.99 -3.43 116.42 109.69 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 39.79 3mbe h ASP 158 CO 0.00 0.84 -0.44 -1.81 -1.72 0.00 0.00 179.24 176.10 3mbe s ASP 159 N -6.47 6.41 -0.19 6.45 1.01 -1.23 -5.08 116.67 117.58 3mbe s ASP 159 Ca 0.01 0.41 -0.00 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 42.01 3mbe s ASP 159 CO 0.80 0.20 -0.15 -0.63 0.21 0.00 0.00 175.17 175.60 3mbe s ILE 160 N -1.43 2.52 -0.16 0.77 -1.09 -1.26 -4.64 121.20 115.90 3mbe s ILE 160 Ca 0.32 -0.79 -0.08 0.00 -2.23 0.00 0.00 60.65 57.87 3mbe s ILE 160 Cb -0.13 -2.09 -0.04 0.00 -1.58 0.00 0.00 42.46 38.62 3mbe s ILE 160 CO 0.22 0.50 0.11 -0.31 -1.23 0.00 0.00 174.94 174.23 3mbe s TYR 161 N 1.27 3.43 0.04 3.97 2.02 -0.02 -0.25 117.35 127.80 3mbe s TYR 161 Ca 0.03 0.34 0.07 0.00 -0.37 0.00 0.00 57.07 57.15 3mbe s TYR 161 Cb -0.14 -2.02 -0.02 0.00 -0.40 0.00 0.00 41.96 39.37 3mbe s TYR 161 CO -0.08 0.45 -0.20 -0.51 -1.57 0.00 0.00 175.55 173.64 3mbe s ASP 162 N -0.29 2.40 -0.44 2.29 1.01 0.56 0.11 116.67 122.31 3mbe s ASP 162 Ca 0.10 -0.51 -0.08 0.00 0.71 0.00 0.00 52.55 52.77 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 0.29 0.00 0.21 0.00 0.00 175.17 175.83 3mbe s LYS 164 N 1.35 4.42 -0.16 0.00 2.20 0.16 -3.11 119.74 124.60 3mbe s LYS 164 Ca 0.05 1.42 0.01 0.00 -0.36 0.00 0.00 55.97 57.08 3mbe s LYS 164 Cb -0.24 -3.54 0.02 0.00 -1.51 0.00 0.00 37.83 32.56 3mbe s LYS 164 CO -0.00 -0.31 -0.16 0.08 -0.36 0.00 0.00 175.35 174.60 3mbe s VAL 165 N 1.97 1.77 -0.14 4.02 1.01 -1.06 -0.60 120.40 127.37 3mbe s VAL 165 Ca 0.49 -0.78 0.01 0.00 0.00 0.00 0.00 61.98 61.70 3mbe s VAL 165 Cb -0.19 -1.64 -0.00 0.00 0.00 0.00 0.00 36.38 34.55 3mbe s VAL 165 CO 0.19 0.47 -0.18 -1.61 0.00 0.00 0.00 175.10 173.97 3mbe s GLU 166 N 1.40 3.17 0.29 2.72 2.02 -0.93 -2.02 118.70 125.35 3mbe s GLU 166 Ca 0.04 -0.78 0.03 0.00 0.02 0.00 0.00 54.97 54.28 3mbe s GLU 166 Cb -0.13 -2.53 -0.03 0.00 0.10 0.00 0.00 34.13 31.54 3mbe s GLU 166 CO -0.11 0.07 0.27 -1.58 0.02 0.00 0.00 175.26 173.92 3mbe s HIS 167 N 0.66 1.48 -0.00 1.61 2.46 -1.26 -1.84 115.29 118.40 3mbe s HIS 167 Ca -0.09 -1.52 0.11 0.00 0.47 0.00 0.00 55.06 54.03 3mbe s HIS 167 Cb -0.16 -0.58 -0.20 0.00 -0.13 0.00 0.00 32.58 31.52 3mbe s HIS 167 CO 0.02 -0.85 0.93 -1.49 -2.47 0.00 0.00 174.74 170.88 3mbe h TRP 168 N 2.27 0.00 0.00 3.88 6.55 -1.94 -3.26 115.95 123.44 3mbe h TRP 168 Ca -0.28 0.00 0.00 0.00 0.95 0.00 0.00 58.89 59.56 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 1.29 0.93 0.00 0.41 -1.05 0.00 0.00 178.44 180.02 3mbe n GLY 169 N 1.45 0.75 2.94 1.49 0.00 -1.26 -4.64 105.19 105.92 3mbe n GLY 169 Ca -0.09 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.71 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 -0.30 1.43 0.27 0.99 1.43 -1.23 -4.36 118.68 116.91 3mbe s LEU 170 Ca 0.00 -0.19 0.09 0.00 -1.03 0.00 0.00 54.13 53.00 3mbe s LEU 170 Cb 0.00 -0.59 0.34 0.00 0.03 0.00 0.00 46.19 45.97 3mbe s LEU 170 CO 0.00 -0.03 1.61 -0.08 0.23 0.00 0.00 176.35 178.08 3mbe h GLU 171 N 7.14 0.06 -2.70 1.70 4.81 -1.85 -3.43 114.58 120.31 3mbe h GLU 171 Ca -0.35 -0.04 -0.10 0.00 -0.13 0.00 0.00 59.36 58.74 3mbe h GLU 171 Cb 1.16 0.01 -0.20 0.00 0.63 0.00 0.00 28.75 30.35 3mbe h GLU 171 CO 0.47 0.65 -0.14 -1.83 -0.73 0.00 0.00 179.01 177.43 3mbe s GLU 172 N -3.66 0.76 0.76 1.92 -1.05 -1.26 -5.12 118.70 111.05 3mbe s GLU 172 Ca -0.02 0.04 -0.17 0.00 -0.15 0.00 0.00 54.97 54.67 3mbe s GLU 172 Cb 0.13 0.35 -0.14 0.00 -0.44 0.00 0.00 34.13 34.02 3mbe s GLU 172 CO 0.77 -0.21 -0.51 -2.30 0.95 0.00 0.00 175.26 173.97 3mbe n PRO 173 N 1.39 0.00 -3.89 -4.83 -0.02 -1.26 -4.99 135.00 121.39 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 -0.96 -0.15 0.00 -0.02 0.00 0.00 33.50 32.93 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 -1.92 1.45 -0.36 -1.45 1.01 -0.86 -4.94 120.40 113.33 3mbe s VAL 174 Ca 0.45 -1.42 -0.17 0.00 0.00 0.00 0.00 61.98 60.84 3mbe s VAL 174 Cb -0.30 -1.88 -0.00 0.00 0.00 0.00 0.00 36.38 34.20 3mbe s VAL 174 CO 0.73 -0.33 0.44 -0.76 0.00 0.00 0.00 175.10 175.18 3mbe s LEU 175 N 1.39 4.48 -0.57 3.92 1.02 -1.26 -2.58 118.68 125.08 3mbe s LEU 175 Ca 0.01 -0.24 -0.21 0.00 0.02 0.00 0.00 54.13 53.71 3mbe s LEU 175 Cb -0.18 -2.45 0.06 0.00 0.02 0.00 0.00 46.19 43.64 3mbe s LEU 175 CO -0.11 -0.45 0.80 -0.54 0.02 0.00 0.00 176.35 176.07 3mbe s LYS 176 N 2.21 3.16 0.38 1.70 -0.14 -1.18 -4.83 119.74 121.04 3mbe s LYS 176 Ca 0.15 -0.78 -0.27 0.00 -1.36 0.00 0.00 55.97 53.71 3mbe s LYS 176 Cb -0.16 -4.14 -0.09 0.00 -1.68 0.00 0.00 37.83 31.75 3mbe s LYS 176 CO 0.13 -1.49 1.31 -1.58 -0.76 0.00 0.00 175.35 172.96 3mbe s HIS 177 N 3.33 2.89 -0.13 3.18 5.65 -1.26 -2.90 115.29 126.05 3mbe s HIS 177 Ca 0.20 1.40 -0.09 0.00 0.25 0.00 0.00 55.06 56.83 3mbe s HIS 177 Cb -0.18 -3.68 0.04 0.00 -1.18 0.00 0.00 32.58 27.58 3mbe s HIS 177 CO 0.12 -2.04 0.32 -0.46 -0.65 0.00 0.00 174.74 172.03 3mbe s TRP 178 N -1.22 -0.40 0.00 3.88 -0.00 0.29 -4.97 118.94 116.53 3mbe s TRP 178 Ca 0.54 0.93 -0.20 0.00 -0.00 0.00 0.00 56.10 57.37 3mbe s TRP 178 Cb -0.39 0.13 0.04 0.00 -0.00 0.00 0.00 33.47 33.25 3mbe s TRP 178 CO 0.51 -0.23 0.43 0.45 -0.00 0.00 0.00 176.95 178.11 3mbe s SER 179 N 0.75 -0.33 0.00 5.86 0.15 -1.26 -0.84 113.70 118.03 3mbe s SER 179 Ca -0.05 0.18 0.21 0.00 0.70 0.00 0.00 55.95 56.99 3mbe s SER 179 Cb -0.06 0.41 1.01 0.00 -1.71 0.00 0.00 66.02 65.67 3mbe s SER 179 CO -0.05 -0.58 1.68 -0.24 1.20 0.00 0.00 173.24 175.25 3mbe n SER 180 N 0.86 0.00 0.00 5.45 2.88 -1.26 -4.01 113.62 117.54 3mbe n SER 180 Ca -0.20 0.16 0.00 0.00 -1.33 0.00 0.00 58.87 57.51 3mbe n SER 180 Cb 0.58 -0.36 0.00 0.00 -0.75 0.00 0.00 64.21 63.68 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 -1.36 0.00 -0.17 -1.46 0.00 -1.26 -4.95 120.51 111.30 3mbe n ALA 181 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.52 3mbe n ALA 181 Cb 0.20 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.65 3mbe n ALA 181 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10