#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2duf n LYS 3 N 0.00 3.08 0.04 -1.46 2.85 -1.22 -3.64 118.16 117.82 2duf n LYS 3 Ca 0.00 0.00 0.13 0.00 -1.05 0.00 0.00 58.31 57.39 2duf n LYS 3 Cb 0.00 -0.26 0.41 0.00 -0.65 0.00 0.00 35.03 34.54 2duf n LYS 3 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 2duf n GLY 4 N 0.00 -1.50 0.28 2.58 0.00 0.56 -3.80 105.19 103.31 2duf n GLY 4 Ca 0.00 -0.15 -0.07 0.00 0.00 0.00 0.00 46.02 45.80 2duf n GLY 4 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 2duf n GLU 5 N -1.83 -0.29 0.18 1.61 -0.00 -1.26 0.32 120.64 119.37 2duf n GLU 5 Ca 0.06 1.02 0.06 0.00 -0.00 0.00 0.00 57.16 58.29 2duf n GLU 5 Cb 0.38 -1.50 0.53 0.00 -0.00 0.00 0.00 31.44 30.85 2duf n GLU 5 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.13 178.62 2duf h GLU 6 N 0.00 0.15 0.00 3.44 4.81 -1.95 -2.00 114.58 119.03 2duf h GLU 6 Ca 0.11 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.32 2duf h GLU 6 Cb 0.27 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 29.63 2duf h GLU 6 CO -0.63 0.17 0.00 1.28 -0.73 0.00 0.00 179.01 179.10 2duf n LEU 7 N -4.44 0.59 -0.68 1.64 4.32 0.95 -3.18 117.00 116.20 2duf n LEU 7 Ca -0.01 0.68 0.08 0.00 -0.02 0.00 0.00 56.01 56.74 2duf n LEU 7 Cb 0.15 -0.63 0.22 0.00 -1.62 0.00 0.00 43.42 41.53 2duf n LEU 7 CO 0.35 -0.64 0.67 0.49 -1.22 0.00 0.00 177.39 177.05 2duf n PHE 8 N -2.18 0.69 0.67 -1.77 3.72 -0.75 -4.68 117.46 113.15 2duf n PHE 8 Ca 0.01 -0.87 0.13 0.00 -0.05 0.00 0.00 57.45 56.68 2duf n PHE 8 Cb 0.17 -0.25 0.41 0.00 -0.94 0.00 0.00 39.48 38.87 2duf n PHE 8 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 176.76 176.96 2duf n THR 9 N -0.63 0.51 -3.54 4.37 -2.24 -1.19 -4.33 114.28 107.23 2duf n THR 9 Ca 0.19 -0.25 0.00 0.00 -2.27 0.00 0.00 64.05 61.72 2duf n THR 9 Cb 0.79 -0.54 0.00 0.00 -2.10 0.00 0.00 70.33 68.48 2duf n THR 9 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2duf n GLY 10 N 1.33 5.87 3.70 3.38 0.00 -1.26 -4.81 105.19 113.41 2duf n GLY 10 Ca 0.06 -2.13 -0.42 0.00 0.00 0.00 0.00 46.02 43.53 2duf n GLY 10 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2duf s VAL 11 N -0.08 4.82 -0.13 1.61 1.01 -1.26 -4.50 120.40 121.86 2duf s VAL 11 Ca 0.00 2.04 0.02 0.00 0.00 0.00 0.00 61.98 64.04 2duf s VAL 11 Cb 0.00 -4.31 -0.00 0.00 0.00 0.00 0.00 36.38 32.07 2duf s VAL 11 CO 0.00 0.10 -0.18 -0.69 0.00 0.00 0.00 175.10 174.33 2duf s VAL 12 N 1.40 2.51 0.40 2.92 1.01 -0.19 -4.95 120.40 123.50 2duf s VAL 12 Ca 0.51 -0.84 -0.26 0.00 0.00 0.00 0.00 61.98 61.38 2duf s VAL 12 Cb -0.20 -2.02 -0.09 0.00 0.00 0.00 0.00 36.38 34.07 2duf s VAL 12 CO 0.24 0.53 1.31 -2.16 0.00 0.00 0.00 175.10 175.03 2duf s PRO 13 N 0.55 4.00 0.04 2.72 0.04 -1.26 -0.91 135.00 140.19 2duf s PRO 13 Ca -0.11 2.18 0.08 0.00 0.04 0.00 0.00 61.00 63.18 2duf s PRO 13 Cb -0.16 -2.79 -0.03 0.00 0.04 0.00 0.00 34.50 31.56 2duf s PRO 13 CO 0.04 -0.47 -0.22 0.42 0.04 0.00 0.00 177.00 176.81 2duf s ILE 14 N -1.25 1.77 -0.04 0.56 1.01 0.56 -1.08 121.20 122.73 2duf s ILE 14 Ca 0.56 -1.22 0.02 0.00 0.00 0.00 0.00 60.65 60.02 2duf s ILE 14 Cb -0.39 -1.53 0.01 0.00 0.01 0.00 0.00 42.46 40.57 2duf s ILE 14 CO 0.50 0.26 -0.10 -0.76 0.00 0.00 0.00 174.94 174.84 2duf s LEU 15 N -1.14 1.67 -0.05 2.97 1.43 0.16 -1.92 118.68 121.80 2duf s LEU 15 Ca 0.08 -0.23 0.05 0.00 -1.03 0.00 0.00 54.13 53.00 2duf s LEU 15 Cb -0.09 -0.67 -0.00 0.00 0.03 0.00 0.00 46.19 45.46 2duf s LEU 15 CO 0.02 0.04 -0.19 -0.69 0.23 0.00 0.00 176.35 175.76 2duf s VAL 16 N 0.47 1.61 -0.04 -1.59 1.01 0.22 -0.91 120.40 121.16 2duf s VAL 16 Ca -0.09 -0.81 0.01 0.00 0.00 0.00 0.00 61.98 61.09 2duf s VAL 16 Cb -0.12 -1.38 0.02 0.00 0.00 0.00 0.00 36.38 34.90 2duf s VAL 16 CO 0.02 0.46 -0.04 -1.61 0.00 0.00 0.00 175.10 173.93 2duf s GLU 17 N 0.03 0.68 -0.01 2.72 0.41 -0.18 -0.11 118.70 122.23 2duf s GLU 17 Ca -0.05 -0.08 0.03 0.00 -0.41 0.00 0.00 54.97 54.46 2duf s GLU 17 Cb -0.13 -0.72 -0.01 0.00 -1.78 0.00 0.00 34.13 31.50 2duf s GLU 17 CO 0.03 -0.07 -0.09 -1.17 -0.49 0.00 0.00 175.26 173.47 2duf s LEU 18 N 0.80 1.98 -0.15 1.80 0.20 0.60 -0.76 118.68 123.16 2duf s LEU 18 Ca -0.10 -0.17 0.00 0.00 0.69 0.00 0.00 54.13 54.55 2duf s LEU 18 Cb -0.13 -0.50 -0.00 0.00 -0.43 0.00 0.00 46.19 45.13 2duf s LEU 18 CO -0.00 0.11 -0.15 -1.81 -0.29 0.00 0.00 176.35 174.20 2duf s ASP 19 N -0.15 3.71 0.15 3.68 -0.00 -0.71 -1.13 116.67 122.22 2duf s ASP 19 Ca 0.02 -0.44 0.06 0.00 -0.00 0.00 0.00 52.55 52.19 2duf s ASP 19 Cb -0.04 -1.57 -0.04 0.00 -0.00 0.00 0.00 42.92 41.27 2duf s ASP 19 CO -0.00 0.11 -0.12 -0.83 -0.00 0.00 0.00 175.17 174.32 2duf s GLY 20 N 0.68 1.13 -0.22 0.21 0.00 0.98 -1.32 107.32 108.79 2duf s GLY 20 Ca -0.07 -1.44 -0.04 0.00 0.00 0.00 0.00 44.72 43.17 2duf s GLY 20 CO 0.02 -1.52 0.30 -0.35 0.00 0.00 0.00 173.10 171.54 2duf s ASP 21 N -2.91 0.79 -0.23 1.64 -1.08 -0.90 -0.73 116.67 113.25 2duf s ASP 21 Ca 0.15 0.04 0.02 0.00 -0.52 0.00 0.00 52.55 52.23 2duf s ASP 21 Cb -0.01 0.74 0.04 0.00 -1.46 0.00 0.00 42.92 42.23 2duf s ASP 21 CO 0.03 -0.31 -0.13 -0.69 0.52 0.00 0.00 175.17 174.58 2duf s VAL 22 N 2.43 2.22 -1.47 1.11 1.01 -0.58 0.50 120.40 125.62 2duf s VAL 22 Ca 0.09 -1.33 -0.11 0.00 0.00 0.00 0.00 61.98 60.63 2duf s VAL 22 Cb -0.15 -2.16 0.07 0.00 0.00 0.00 0.00 36.38 34.13 2duf s VAL 22 CO -0.14 0.19 0.83 0.59 0.00 0.00 0.00 175.10 176.57 2duf n ASN 23 N 4.52 -4.93 0.00 3.32 4.13 0.14 -0.80 115.26 121.64 2duf n ASN 23 Ca -0.17 -0.59 0.00 0.00 1.68 0.00 0.00 54.58 55.50 2duf n ASN 23 Cb 0.45 -3.96 0.00 0.00 -1.54 0.00 0.00 39.78 34.73 2duf n ASN 23 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2duf n GLY 24 N -1.57 2.51 3.56 7.41 0.00 -1.26 -4.97 105.19 110.86 2duf n GLY 24 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.60 2duf n GLY 24 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2duf s HIS 25 N -2.98 2.75 0.07 1.61 3.76 0.02 -5.01 115.29 115.51 2duf s HIS 25 Ca 0.00 0.28 -0.22 0.00 -0.15 0.00 0.00 55.06 54.97 2duf s HIS 25 Cb 0.00 -4.24 -0.07 0.00 1.11 0.00 0.00 32.58 29.38 2duf s HIS 25 CO 0.00 -1.38 0.65 0.15 -0.85 0.00 0.00 174.74 173.31 2duf s LYS 26 N 4.31 4.36 0.13 1.40 1.02 -1.26 -1.52 119.74 128.18 2duf s LYS 26 Ca 0.38 0.88 -0.19 0.00 0.02 0.00 0.00 55.97 57.06 2duf s LYS 26 Cb -0.10 -3.28 0.05 0.00 -0.52 0.00 0.00 37.83 33.98 2duf s LYS 26 CO 0.24 0.51 0.48 -0.59 -0.92 0.00 0.00 175.35 175.07 2duf s PHE 27 N -0.77 -0.33 0.04 3.18 -0.71 0.10 -4.98 117.98 114.50 2duf s PHE 27 Ca 0.32 0.07 0.04 0.00 -1.04 0.00 0.00 56.93 56.32 2duf s PHE 27 Cb -0.20 0.37 -0.02 0.00 -1.21 0.00 0.00 43.02 41.96 2duf s PHE 27 CO 0.21 -0.75 -0.11 -1.12 -1.34 0.00 0.00 175.22 172.10 2duf s SER 28 N -2.74 1.33 -0.00 1.98 0.01 -1.26 -0.02 113.70 113.00 2duf s SER 28 Ca 0.02 -0.45 0.01 0.00 1.31 0.00 0.00 55.95 56.84 2duf s SER 28 Cb 0.01 -0.06 -0.00 0.00 0.21 0.00 0.00 66.02 66.17 2duf s SER 28 CO -0.12 -0.03 -0.04 -0.69 0.41 0.00 0.00 173.24 172.77 2duf s VAL 29 N -0.92 0.31 -0.07 3.43 1.01 -0.28 -0.84 120.40 123.04 2duf s VAL 29 Ca -0.02 -0.16 0.05 0.00 0.00 0.00 0.00 61.98 61.85 2duf s VAL 29 Cb -0.08 -0.27 -0.01 0.00 0.00 0.00 0.00 36.38 36.02 2duf s VAL 29 CO 0.01 0.09 -0.22 -0.44 0.00 0.00 0.00 175.10 174.54 2duf s SER 30 N -0.04 3.29 0.05 3.32 0.01 -0.52 -0.29 113.70 119.53 2duf s SER 30 Ca 0.01 -0.46 0.06 0.00 1.31 0.00 0.00 55.95 56.86 2duf s SER 30 Cb -0.02 -1.01 -0.02 0.00 0.21 0.00 0.00 66.02 65.18 2duf s SER 30 CO -0.00 0.24 -0.16 -0.83 0.41 0.00 0.00 173.24 172.90 2duf s GLY 31 N -0.10 0.89 0.05 3.44 0.00 0.84 0.06 107.32 112.50 2duf s GLY 31 Ca -0.05 -0.92 0.01 0.00 0.00 0.00 0.00 44.72 43.76 2duf s GLY 31 CO 0.04 -0.90 -0.05 -0.54 0.00 0.00 0.00 173.10 171.65 2duf s GLU 32 N -1.29 0.57 0.00 2.90 2.02 -0.46 -0.61 118.70 121.83 2duf s GLU 32 Ca 0.02 -0.97 0.00 0.00 0.02 0.00 0.00 54.97 54.04 2duf s GLU 32 Cb -0.08 -0.07 0.00 0.00 0.10 0.00 0.00 34.13 34.08 2duf s GLU 32 CO 0.02 -0.03 0.00 0.41 0.02 0.00 0.00 175.26 175.68 2duf n GLY 33 N 0.81 -0.59 3.38 -1.39 0.00 -0.81 -1.34 105.19 105.25 2duf n GLY 33 Ca -0.18 -0.54 -0.14 0.00 0.00 0.00 0.00 46.02 45.15 2duf n GLY 33 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2duf s GLU 34 N -1.50 0.95 0.09 1.61 -1.05 -0.70 -0.33 118.70 117.77 2duf s GLU 34 Ca 0.00 -0.15 0.09 0.00 -0.15 0.00 0.00 54.97 54.76 2duf s GLU 34 Cb 0.00 0.44 -0.03 0.00 -0.44 0.00 0.00 34.13 34.09 2duf s GLU 34 CO 0.00 -0.32 -0.24 0.20 0.95 0.00 0.00 175.26 175.85 2duf s GLY 35 N -1.70 1.36 -0.41 -3.83 0.00 -0.08 -1.59 107.32 101.06 2duf s GLY 35 Ca -0.08 -1.28 0.02 0.00 0.00 0.00 0.00 44.72 43.38 2duf s GLY 35 CO 0.02 -1.23 0.25 -0.35 0.00 0.00 0.00 173.10 171.78 2duf s ASP 36 N -1.65 3.08 0.55 1.64 -1.08 -0.18 -1.02 116.67 118.01 2duf s ASP 36 Ca 0.10 -2.54 0.24 0.00 -0.52 0.00 0.00 52.55 49.83 2duf s ASP 36 Cb -0.10 -0.69 1.47 0.00 -1.46 0.00 0.00 42.92 42.15 2duf s ASP 36 CO 0.04 -0.26 2.10 0.00 0.52 0.00 0.00 175.17 177.57 2duf h ALA 37 N 6.65 2.04 -0.26 3.66 0.00 -1.76 -1.72 119.26 127.87 2duf h ALA 37 Ca 0.07 -0.01 0.08 0.00 0.00 0.00 0.00 54.91 55.05 2duf h ALA 37 Cb 0.94 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.73 2duf h ALA 37 CO 0.38 -0.27 0.19 1.15 0.00 0.00 0.00 179.25 180.70 2duf h THR 38 N 0.00 0.87 -0.16 0.00 2.02 -1.87 -1.76 112.91 112.00 2duf h THR 38 Ca 0.10 -0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.28 2duf h THR 38 Cb 0.43 0.87 0.00 0.00 -1.74 0.00 0.00 68.15 67.70 2duf h THR 38 CO -0.00 0.00 0.00 -1.22 0.37 0.00 0.00 175.52 174.67 2duf n TYR 39 N -4.46 0.22 -2.06 3.16 4.01 -0.75 -4.96 117.16 112.31 2duf n TYR 39 Ca 0.03 -0.32 -0.20 0.00 -0.16 0.00 0.00 57.90 57.25 2duf n TYR 39 Cb 0.35 -0.02 -0.04 0.00 -0.31 0.00 0.00 39.34 39.31 2duf n TYR 39 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2duf n GLY 40 N 0.31 0.51 3.77 2.72 0.00 -0.66 -4.72 105.19 107.12 2duf n GLY 40 Ca 0.07 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.72 2duf n GLY 40 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2duf s LYS 41 N -4.47 4.07 -0.03 1.61 2.20 -0.81 0.01 119.74 122.32 2duf s LYS 41 Ca 0.00 0.10 0.05 0.00 -0.36 0.00 0.00 55.97 55.76 2duf s LYS 41 Cb 0.00 -3.35 -0.01 0.00 -1.51 0.00 0.00 37.83 32.96 2duf s LYS 41 CO 0.00 0.40 -0.18 -0.51 -0.36 0.00 0.00 175.35 174.70 2duf s LEU 42 N -0.03 1.97 -0.08 5.43 1.43 -0.48 -1.01 118.68 125.92 2duf s LEU 42 Ca 0.17 -0.35 -0.01 0.00 -1.03 0.00 0.00 54.13 52.91 2duf s LEU 42 Cb -0.13 -0.99 0.03 0.00 0.03 0.00 0.00 46.19 45.13 2duf s LEU 42 CO 0.05 0.19 -0.03 -0.89 0.23 0.00 0.00 176.35 175.90 2duf s THR 43 N -0.16 0.63 0.03 5.49 2.01 -0.62 -1.25 115.64 121.77 2duf s THR 43 Ca 0.00 -0.06 -0.09 0.00 0.31 0.00 0.00 61.69 61.86 2duf s THR 43 Cb -0.10 -0.72 0.00 0.00 0.01 0.00 0.00 72.50 71.69 2duf s THR 43 CO 0.01 0.30 0.17 -0.76 -0.69 0.00 0.00 174.62 173.65 2duf s LEU 44 N 1.74 1.46 -0.07 4.42 1.43 -0.14 -1.73 118.68 125.80 2duf s LEU 44 Ca 0.03 -0.37 0.01 0.00 -1.03 0.00 0.00 54.13 52.77 2duf s LEU 44 Cb -0.13 0.86 0.02 0.00 0.03 0.00 0.00 46.19 46.97 2duf s LEU 44 CO -0.05 -0.52 -0.08 -0.75 0.23 0.00 0.00 176.35 175.17 2duf s LYS 45 N -2.41 1.32 -0.02 1.70 2.20 -0.45 -0.78 119.74 121.31 2duf s LYS 45 Ca -0.06 -0.25 0.01 0.00 -0.36 0.00 0.00 55.97 55.31 2duf s LYS 45 Cb -0.02 -1.24 -0.03 0.00 -1.51 0.00 0.00 37.83 35.03 2duf s LYS 45 CO -0.03 -0.09 -0.00 -0.06 -0.36 0.00 0.00 175.35 174.81 2duf s PHE 46 N 1.04 3.08 -0.05 4.03 0.40 0.69 -1.36 117.98 125.81 2duf s PHE 46 Ca -0.08 0.09 0.05 0.00 -0.60 0.00 0.00 56.93 56.39 2duf s PHE 46 Cb -0.14 -1.69 -0.00 0.00 0.51 0.00 0.00 43.02 41.69 2duf s PHE 46 CO -0.00 0.45 -0.19 0.42 0.70 0.00 0.00 175.22 176.59 2duf s ILE 47 N -1.04 1.62 -0.41 0.64 1.01 0.11 -1.25 121.20 121.88 2duf s ILE 47 Ca 0.18 -0.82 -0.28 0.00 0.00 0.00 0.00 60.65 59.74 2duf s ILE 47 Cb -0.11 -1.39 0.02 0.00 0.01 0.00 0.00 42.46 40.99 2duf s ILE 47 CO 0.08 0.46 1.04 0.00 0.00 0.00 0.00 174.94 176.53 2duf n THR 49 N 6.35 0.00 -1.22 0.00 -2.24 -0.02 -3.91 114.28 113.24 2duf n THR 49 Ca 0.10 -0.14 0.04 0.00 -2.27 0.00 0.00 64.05 61.79 2duf n THR 49 Cb 0.48 0.06 0.21 0.00 -2.10 0.00 0.00 70.33 68.99 2duf n THR 49 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 2duf n THR 50 N -0.38 2.29 0.00 4.28 -2.24 -1.25 -4.96 114.28 112.01 2duf n THR 50 Ca 0.20 -2.39 0.00 0.00 -2.27 0.00 0.00 64.05 59.60 2duf n THR 50 Cb 0.25 -0.27 0.00 0.00 -2.10 0.00 0.00 70.33 68.21 2duf n THR 50 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2duf n GLY 51 N -0.97 0.33 3.78 3.38 0.00 -1.25 -4.96 105.19 105.49 2duf n GLY 51 Ca 0.24 -1.79 -0.37 0.00 0.00 0.00 0.00 46.02 44.09 2duf n GLY 51 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2duf s LYS 52 N 0.00 4.54 -0.04 1.61 -0.14 -1.26 -4.55 119.74 119.90 2duf s LYS 52 Ca 0.00 1.41 -0.30 0.00 -1.36 0.00 0.00 55.97 55.72 2duf s LYS 52 Cb 0.00 -2.82 -0.04 0.00 -1.68 0.00 0.00 37.83 33.29 2duf s LYS 52 CO 0.00 0.22 1.23 -1.17 -0.76 0.00 0.00 175.35 174.87 2duf s LEU 53 N -2.04 4.29 0.00 3.17 2.96 -1.26 -4.91 118.68 120.89 2duf s LEU 53 Ca 0.50 1.87 0.29 0.00 -0.22 0.00 0.00 54.13 56.58 2duf s LEU 53 Cb -0.21 -3.56 1.60 0.00 0.50 0.00 0.00 46.19 44.52 2duf s LEU 53 CO 0.26 -0.60 2.05 -0.81 -1.32 0.00 0.00 176.35 175.94 2duf n PRO 54 N 5.15 0.64 -4.37 0.98 -0.04 -1.26 -4.77 135.00 131.33 2duf n PRO 54 Ca 0.11 0.01 -0.19 0.00 -0.04 0.00 0.00 63.50 63.39 2duf n PRO 54 Cb 0.46 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 32.32 2duf n PRO 54 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 2duf s VAL 55 N -2.32 1.46 0.30 0.52 -7.23 -1.26 -4.56 120.40 107.31 2duf s VAL 55 Ca 0.35 -2.11 -0.29 0.00 -1.81 0.00 0.00 61.98 58.12 2duf s VAL 55 Cb 0.20 -2.29 -0.10 0.00 0.56 0.00 0.00 36.38 34.76 2duf s VAL 55 CO 0.40 -0.41 1.14 -2.84 -0.31 0.00 0.00 175.10 173.08 2duf s PRO 56 N -3.75 4.52 0.24 4.82 0.02 -1.26 -4.94 135.00 134.66 2duf s PRO 56 Ca 0.27 1.86 -0.04 0.00 0.02 0.00 0.00 61.00 63.11 2duf s PRO 56 Cb 0.03 -3.10 0.45 0.00 0.02 0.00 0.00 34.50 31.91 2duf s PRO 56 CO 0.09 0.08 1.74 -1.49 -0.33 0.00 0.00 177.00 177.09 2duf h TRP 57 N 3.58 0.55 -0.16 6.54 4.06 -1.95 -1.40 115.95 127.16 2duf h TRP 57 Ca -0.47 0.03 0.05 0.00 2.06 0.00 0.00 58.89 60.56 2duf h TRP 57 Cb 1.22 -0.13 -0.01 0.00 -1.00 0.00 0.00 29.16 29.24 2duf h TRP 57 CO 0.58 0.09 0.12 -1.35 -3.56 0.00 0.00 178.44 174.32 2duf h PRO 58 N 0.48 0.00 0.00 0.49 0.11 -1.89 0.05 132.00 131.23 2duf h PRO 58 Ca 0.41 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.52 2duf h PRO 58 Cb 0.60 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.71 2duf h PRO 58 CO -0.38 0.00 0.00 0.25 -0.21 0.00 0.00 178.00 177.66 2duf n THR 59 N -4.43 1.10 0.81 -1.15 -2.24 -0.53 -2.71 114.28 105.13 2duf n THR 59 Ca 0.01 0.44 0.08 0.00 -2.27 0.00 0.00 64.05 62.31 2duf n THR 59 Cb 0.25 -1.38 -0.09 0.00 -2.10 0.00 0.00 70.33 67.01 2duf n THR 59 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 2duf n LEU 60 N -2.03 0.91 -0.08 3.22 4.77 0.00 -4.65 117.00 119.15 2duf n LEU 60 Ca 0.01 -0.53 -0.07 0.00 -0.03 0.00 0.00 56.01 55.39 2duf n LEU 60 Cb 0.12 0.00 -0.00 0.00 -2.33 0.00 0.00 43.42 41.21 2duf n LEU 60 CO 0.12 0.22 0.79 0.58 -1.33 0.00 0.00 177.39 177.77 2duf h VAL 61 N 0.22 0.63 -0.06 4.08 2.07 -1.53 -0.54 116.25 121.12 2duf h VAL 61 Ca 0.00 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.48 2duf h VAL 61 Cb 0.43 0.63 -0.01 0.00 -1.52 0.00 0.00 31.29 30.82 2duf h VAL 61 CO 0.00 0.00 -0.13 0.71 0.02 0.00 0.00 177.57 178.17 2duf h THR 62 N -0.05 1.13 -0.17 2.57 1.35 -1.82 -2.48 112.91 113.44 2duf h THR 62 Ca 0.15 -0.59 -0.08 0.00 -0.55 0.00 0.00 66.41 65.33 2duf h THR 62 Cb 0.28 1.24 -0.00 0.00 -1.73 0.00 0.00 68.15 67.93 2duf h THR 62 CO -0.34 0.18 -0.22 0.74 -0.25 0.00 0.00 175.52 175.63 2duf h THR 63 N 0.08 1.35 0.00 6.82 2.02 -1.64 -3.45 112.91 118.09 2duf h THR 63 Ca 0.02 -1.42 -0.31 0.00 0.77 0.00 0.00 66.41 65.46 2duf h THR 63 Cb 0.29 1.88 0.02 0.00 -1.74 0.00 0.00 68.15 68.61 2duf h THR 63 CO 0.02 0.43 2.09 0.49 0.37 0.00 0.00 175.52 178.92 2duf n PHE 64 N -4.46 0.99 0.00 3.16 3.72 -0.29 -5.04 117.46 115.55 2duf n PHE 64 Ca -0.06 -1.49 0.00 0.00 -0.05 0.00 0.00 57.45 55.85 2duf n PHE 64 Cb 0.42 -1.35 0.00 0.00 -0.94 0.00 0.00 39.48 37.61 2duf n PHE 64 CO 0.00 0.00 0.00 1.33 -0.05 0.00 0.00 176.76 178.04 2duf n VAL 68 N 4.72 0.00 0.09 -4.37 0.24 -1.26 -5.01 118.33 112.73 2duf n VAL 68 Ca 0.33 0.00 0.01 0.00 -2.04 0.00 0.00 64.34 62.64 2duf n VAL 68 Cb 0.14 0.00 0.05 0.00 -1.47 0.00 0.00 33.84 32.56 2duf n VAL 68 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2duf n GLN 69 N 0.00 0.01 0.07 7.34 6.02 -1.26 -1.74 117.38 127.83 2duf n GLN 69 Ca 0.00 0.40 0.08 0.00 -0.01 0.00 0.00 57.00 57.47 2duf n GLN 69 Cb 0.00 -1.50 0.37 0.00 1.02 0.00 0.00 30.24 30.13 2duf n GLN 69 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2duf n PHE 71 N -1.89 0.45 -1.82 0.00 3.72 -0.71 -4.71 117.46 112.50 2duf n PHE 71 Ca 0.02 -0.22 -0.33 0.00 -0.05 0.00 0.00 57.45 56.86 2duf n PHE 71 Cb 0.14 0.00 0.04 0.00 -0.94 0.00 0.00 39.48 38.72 2duf n PHE 71 CO 0.00 0.00 0.00 -1.12 -0.05 0.00 0.00 176.76 175.59 2duf s SER 72 N -1.31 5.19 -0.37 4.37 0.01 -0.77 -4.21 113.70 116.61 2duf s SER 72 Ca 0.33 2.02 -0.19 0.00 1.31 0.00 0.00 55.95 59.42 2duf s SER 72 Cb 0.18 -2.55 0.00 0.00 0.21 0.00 0.00 66.02 63.86 2duf s SER 72 CO 0.25 -1.58 0.57 -0.60 0.41 0.00 0.00 173.24 172.29 2duf s ARG 73 N -4.00 3.58 -0.26 12.44 3.52 -0.06 -4.74 118.95 129.43 2duf s ARG 73 Ca 0.68 -0.14 -0.10 0.00 -0.13 0.00 0.00 55.73 56.04 2duf s ARG 73 Cb -0.21 -3.83 -0.05 0.00 -1.56 0.00 0.00 34.95 29.30 2duf s ARG 73 CO 0.40 -0.73 0.16 0.71 -0.81 0.00 0.00 175.30 175.03 2duf s TYR 74 N 2.54 3.23 0.72 5.12 1.51 -1.26 -1.15 117.35 128.06 2duf s TYR 74 Ca 0.21 0.08 -0.16 0.00 -1.01 0.00 0.00 57.07 56.19 2duf s TYR 74 Cb -0.15 -2.32 -0.01 0.00 -0.11 0.00 0.00 41.96 39.37 2duf s TYR 74 CO 0.15 -0.11 0.81 -2.30 -1.11 0.00 0.00 175.55 172.99 2duf n PRO 75 N 4.76 0.43 -0.31 -1.71 -0.02 -1.26 -4.72 135.00 132.16 2duf n PRO 75 Ca -0.15 0.20 0.07 0.00 -2.02 0.00 0.00 63.50 61.60 2duf n PRO 75 Cb 0.52 -2.08 0.22 0.00 -0.02 0.00 0.00 33.50 32.14 2duf n PRO 75 CO 0.00 0.00 0.00 0.22 1.98 0.00 0.00 175.50 177.70 2duf h ASP 76 N -0.29 0.66 0.26 2.55 3.58 -2.01 0.50 116.42 121.67 2duf h ASP 76 Ca -0.47 0.07 0.00 0.00 0.42 0.00 0.00 57.03 57.06 2duf h ASP 76 Cb 1.34 -0.04 0.00 0.00 1.72 0.00 0.00 39.33 42.35 2duf h ASP 76 CO 0.45 0.31 0.00 0.00 -2.88 0.00 0.00 179.24 177.13 2duf n HIS 77 N -4.79 0.03 0.14 0.28 1.44 -1.26 -2.29 115.22 108.78 2duf n HIS 77 Ca 0.17 0.01 0.03 0.00 -2.01 0.00 0.00 57.72 55.93 2duf n HIS 77 Cb 0.40 -0.52 0.05 0.00 0.12 0.00 0.00 29.99 30.04 2duf n HIS 77 CO 0.00 0.00 0.00 -1.33 -2.81 0.00 0.00 176.34 172.20 2duf n MET 78 N -1.53 1.07 -0.30 -1.40 2.81 0.14 -4.71 117.12 113.20 2duf n MET 78 Ca 0.02 -1.26 0.21 0.00 -1.81 0.00 0.00 57.70 54.86 2duf n MET 78 Cb 0.09 -1.14 0.51 0.00 -0.71 0.00 0.00 33.22 31.96 2duf n MET 78 CO 0.00 0.00 0.00 0.87 1.51 0.00 0.00 175.97 178.35 2duf h LYS 79 N 1.31 0.40 0.00 0.03 6.56 -1.16 0.12 116.57 123.83 2duf h LYS 79 Ca 0.00 -0.02 0.00 0.00 -1.06 0.00 0.00 60.65 59.57 2duf h LYS 79 Cb 0.42 -0.09 0.00 0.00 -0.57 0.00 0.00 32.23 31.99 2duf h LYS 79 CO 0.00 0.26 0.00 2.89 -2.06 0.00 0.00 179.45 180.54 2duf n ARG 80 N -4.58 0.13 -0.33 3.15 1.85 -1.26 -1.87 116.66 113.76 2duf n ARG 80 Ca 0.23 0.51 0.12 0.00 -1.00 0.00 0.00 57.85 57.71 2duf n ARG 80 Cb 0.81 -1.84 0.30 0.00 -1.05 0.00 0.00 32.46 30.68 2duf n ARG 80 CO 0.00 0.00 0.00 0.72 -0.01 0.00 0.00 177.63 178.34 2duf n HIS 81 N -2.10 0.87 -2.80 2.89 8.25 0.44 -4.59 115.22 118.18 2duf n HIS 81 Ca 0.00 -0.43 -0.43 0.00 -0.26 0.00 0.00 57.72 56.59 2duf n HIS 81 Cb 0.11 0.00 -0.00 0.00 1.12 0.00 0.00 29.99 31.22 2duf n HIS 81 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 2duf s ASP 82 N -1.11 6.93 0.18 0.41 -1.08 -0.78 -4.47 116.67 116.74 2duf s ASP 82 Ca 0.47 -2.65 -0.11 0.00 -0.52 0.00 0.00 52.55 49.74 2duf s ASP 82 Cb 0.25 -2.47 0.08 0.00 -1.46 0.00 0.00 42.92 39.32 2duf s ASP 82 CO 0.33 -0.96 1.72 0.15 0.52 0.00 0.00 175.17 176.93 2duf h PHE 83 N 7.58 0.96 -0.04 -5.34 3.57 -1.88 -2.66 116.94 119.14 2duf h PHE 83 Ca 0.34 -0.09 0.03 0.00 3.53 0.00 0.00 57.97 61.79 2duf h PHE 83 Cb 0.89 -0.28 -0.04 0.00 2.79 0.00 0.00 35.95 39.31 2duf h PHE 83 CO 1.23 0.78 -0.20 0.74 -2.23 0.00 0.00 178.31 178.62 2duf h PHE 84 N 0.87 -0.53 -0.01 0.41 0.04 -1.88 -2.08 116.94 113.75 2duf h PHE 84 Ca 0.20 0.02 -0.12 0.00 2.80 0.00 0.00 57.97 60.88 2duf h PHE 84 Cb 0.25 0.24 -0.02 0.00 2.20 0.00 0.00 35.95 38.63 2duf h PHE 84 CO 0.02 -0.28 -0.54 0.87 -0.60 0.00 0.00 178.31 177.77 2duf h LYS 85 N -0.30 0.03 -0.00 1.51 1.57 -1.84 -3.11 116.57 114.42 2duf h LYS 85 Ca 0.07 -0.02 -0.04 0.00 -1.87 0.00 0.00 60.65 58.80 2duf h LYS 85 Cb 0.40 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.71 2duf h LYS 85 CO -0.22 0.56 -0.17 0.66 -0.57 0.00 0.00 179.45 179.71 2duf h SER 86 N 0.02 0.01 0.42 0.86 4.64 -1.03 0.19 113.55 118.66 2duf h SER 86 Ca -0.00 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.31 2duf h SER 86 Cb 0.96 -0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.05 2duf h SER 86 CO 0.07 0.18 0.00 0.00 -0.87 0.00 0.00 176.83 176.21 2duf n ALA 87 N -2.51 2.16 -2.39 5.18 0.00 -0.84 -4.13 120.51 117.98 2duf n ALA 87 Ca -0.02 -0.11 -0.29 0.00 0.00 0.00 0.00 53.44 53.02 2duf n ALA 87 Cb 0.24 -1.37 -0.03 0.00 0.00 0.00 0.00 19.45 18.29 2duf n ALA 87 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 2duf s MET 88 N -2.57 3.69 0.15 0.00 1.00 -0.61 -0.11 119.30 120.84 2duf s MET 88 Ca 0.21 0.18 0.26 0.00 0.00 0.00 0.00 55.69 56.34 2duf s MET 88 Cb 0.15 -2.55 0.80 0.00 0.00 0.00 0.00 34.83 33.23 2duf s MET 88 CO 0.34 0.12 1.72 -0.35 0.00 0.00 0.00 175.02 176.85 2duf n PRO 89 N -1.07 0.21 -0.21 2.03 -0.04 -1.26 -3.80 135.00 130.86 2duf n PRO 89 Ca -0.00 0.15 0.09 0.00 -0.04 0.00 0.00 63.50 63.69 2duf n PRO 89 Cb 0.54 -1.72 0.37 0.00 -0.04 0.00 0.00 33.50 32.65 2duf n PRO 89 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 2duf h GLU 90 N 0.00 0.69 0.00 0.54 3.07 -1.91 -2.60 114.58 114.37 2duf h GLU 90 Ca 0.00 -0.04 0.00 0.00 -0.50 0.00 0.00 59.36 58.82 2duf h GLU 90 Cb 0.69 -0.16 0.00 0.00 -0.84 0.00 0.00 28.75 28.44 2duf h GLU 90 CO 0.00 0.46 0.00 0.41 -1.40 0.00 0.00 179.01 178.48 2duf n GLY 91 N -1.45 -1.83 3.14 -3.84 0.00 0.84 -4.69 105.19 97.37 2duf n GLY 91 Ca 0.13 -1.97 -0.09 0.00 0.00 0.00 0.00 46.02 44.10 2duf n GLY 91 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2duf s TYR 92 N -0.04 0.27 -0.03 1.61 -0.85 -0.43 -0.85 117.35 117.03 2duf s TYR 92 Ca 0.00 -0.68 -0.16 0.00 -0.52 0.00 0.00 57.07 55.71 2duf s TYR 92 Cb 0.00 -0.18 -0.05 0.00 0.38 0.00 0.00 41.96 42.11 2duf s TYR 92 CO 0.00 -0.43 0.45 0.08 -1.52 0.00 0.00 175.55 174.13 2duf s VAL 93 N -3.38 5.04 -0.15 -3.49 1.01 0.16 -0.92 120.40 118.68 2duf s VAL 93 Ca 0.02 0.92 0.00 0.00 0.00 0.00 0.00 61.98 62.92 2duf s VAL 93 Cb 0.03 -3.77 0.02 0.00 0.00 0.00 0.00 36.38 32.67 2duf s VAL 93 CO -0.08 0.50 -0.14 -1.58 0.00 0.00 0.00 175.10 173.79 2duf s GLN 94 N -0.53 2.30 0.10 2.72 0.74 -0.04 -2.07 119.66 122.88 2duf s GLN 94 Ca 0.25 -0.56 0.09 0.00 0.05 0.00 0.00 55.36 55.19 2duf s GLN 94 Cb -0.17 -2.10 -0.04 0.00 1.10 0.00 0.00 33.01 31.81 2duf s GLN 94 CO 0.13 -0.22 -0.24 -1.21 -0.55 0.00 0.00 175.29 173.20 2duf s GLU 95 N 1.45 1.33 0.08 1.67 2.02 -0.20 -1.13 118.70 123.91 2duf s GLU 95 Ca 0.04 -1.21 -0.05 0.00 0.02 0.00 0.00 54.97 53.78 2duf s GLU 95 Cb -0.13 -1.66 -0.02 0.00 0.10 0.00 0.00 34.13 32.42 2duf s GLU 95 CO -0.10 0.40 0.08 1.03 0.02 0.00 0.00 175.26 176.69 2duf s ARG 96 N -1.83 0.75 -0.08 1.61 0.52 -0.65 -1.37 118.95 117.91 2duf s ARG 96 Ca 0.10 -1.12 0.02 0.00 -0.52 0.00 0.00 55.73 54.21 2duf s ARG 96 Cb -0.10 0.28 0.01 0.00 0.52 0.00 0.00 34.95 35.66 2duf s ARG 96 CO 0.04 -0.20 -0.15 0.99 0.02 0.00 0.00 175.30 176.00 2duf s THR 97 N -3.91 1.38 -0.24 0.02 2.01 -0.53 -1.55 115.64 112.82 2duf s THR 97 Ca 0.08 -0.61 0.02 0.00 0.31 0.00 0.00 61.69 61.49 2duf s THR 97 Cb 0.06 -1.25 0.05 0.00 0.01 0.00 0.00 72.50 71.38 2duf s THR 97 CO -0.09 0.41 -0.11 -0.63 -0.69 0.00 0.00 174.62 173.51 2duf s ILE 98 N 0.66 2.02 -0.33 1.82 1.01 -0.10 -0.89 121.20 125.40 2duf s ILE 98 Ca -0.14 -1.44 -0.16 0.00 0.00 0.00 0.00 60.65 58.92 2duf s ILE 98 Cb -0.16 -2.11 -0.02 0.00 0.01 0.00 0.00 42.46 40.18 2duf s ILE 98 CO 0.04 0.05 0.39 -0.36 0.00 0.00 0.00 174.94 175.06 2duf s PHE 99 N 1.19 3.21 -0.28 3.97 0.40 0.76 -1.31 117.98 125.92 2duf s PHE 99 Ca -0.06 0.11 -0.24 0.00 -0.60 0.00 0.00 56.93 56.14 2duf s PHE 99 Cb -0.19 -2.70 -0.00 0.00 0.51 0.00 0.00 43.02 40.64 2duf s PHE 99 CO -0.06 -0.41 0.79 -0.06 0.70 0.00 0.00 175.22 176.17 2duf s PHE 100 N 2.10 3.25 0.18 0.36 0.40 0.04 -1.13 117.98 123.18 2duf s PHE 100 Ca 0.14 0.93 -0.33 0.00 -0.60 0.00 0.00 56.93 57.06 2duf s PHE 100 Cb -0.16 -3.12 -0.14 0.00 0.51 0.00 0.00 43.02 40.11 2duf s PHE 100 CO 0.12 -0.48 1.51 1.17 0.70 0.00 0.00 175.22 178.24 2duf n LYS 101 N 6.09 2.08 -1.95 0.44 3.00 -0.56 -0.72 118.16 126.54 2duf n LYS 101 Ca 0.04 0.75 -0.18 0.00 -0.00 0.00 0.00 58.31 58.92 2duf n LYS 101 Cb 0.48 -2.47 -0.04 0.00 0.00 0.00 0.00 35.03 33.00 2duf n LYS 101 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 2duf n ASP 102 N 2.96 -5.13 0.00 3.14 8.00 -1.26 -4.81 116.55 119.45 2duf n ASP 102 Ca 0.15 0.19 0.00 0.00 0.71 0.00 0.00 54.79 55.84 2duf n ASP 102 Cb 0.29 -4.19 0.00 0.00 -0.02 0.00 0.00 41.12 37.20 2duf n ASP 102 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 2duf n ASP 103 N -1.11 0.00 -2.17 -2.24 -0.08 0.10 -4.93 116.55 106.13 2duf n ASP 103 Ca -0.19 0.00 -0.02 0.00 -1.51 0.00 0.00 54.79 53.06 2duf n ASP 103 Cb 0.62 0.00 0.02 0.00 2.34 0.00 0.00 41.12 44.10 2duf n ASP 103 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2duf n GLY 104 N 0.00 -0.96 3.02 0.27 0.00 -1.16 -4.59 105.19 101.77 2duf n GLY 104 Ca 0.00 -1.70 -0.13 0.00 0.00 0.00 0.00 46.02 44.18 2duf n GLY 104 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2duf s ASN 105 N -1.40 0.69 -0.03 1.61 2.20 -0.60 -0.78 114.94 116.63 2duf s ASN 105 Ca 0.06 -0.41 -0.01 0.00 -0.94 0.00 0.00 52.86 51.56 2duf s ASN 105 Cb -0.00 0.02 -0.04 0.00 -2.00 0.00 0.00 41.25 39.23 2duf s ASN 105 CO 0.04 -0.14 0.05 -0.31 -2.94 0.00 0.00 177.10 173.80 2duf s TYR 106 N -1.03 3.22 -0.08 1.54 2.02 -0.43 -2.00 117.35 120.59 2duf s TYR 106 Ca -0.07 0.19 0.03 0.00 -0.37 0.00 0.00 57.07 56.85 2duf s TYR 106 Cb -0.08 -1.74 0.01 0.00 -0.40 0.00 0.00 41.96 39.75 2duf s TYR 106 CO 0.00 0.52 -0.17 0.15 -1.57 0.00 0.00 175.55 174.48 2duf s LYS 107 N -1.46 2.21 0.08 -0.62 1.02 0.34 -0.93 119.74 120.38 2duf s LYS 107 Ca 0.19 -0.61 0.05 0.00 0.02 0.00 0.00 55.97 55.63 2duf s LYS 107 Cb -0.12 -1.76 -0.03 0.00 -0.52 0.00 0.00 37.83 35.41 2duf s LYS 107 CO 0.10 0.11 -0.15 0.95 -0.92 0.00 0.00 175.35 175.44 2duf s THR 108 N 0.47 1.17 -0.05 2.17 -4.23 -0.60 -0.24 115.64 114.34 2duf s THR 108 Ca -0.15 -1.37 -0.02 0.00 -1.18 0.00 0.00 61.69 58.97 2duf s THR 108 Cb -0.16 -1.16 0.03 0.00 1.34 0.00 0.00 72.50 72.55 2duf s THR 108 CO 0.06 -0.24 0.04 -0.60 -0.54 0.00 0.00 174.62 173.34 2duf s ARG 109 N -1.87 0.14 0.17 3.99 3.52 -0.21 -1.63 118.95 123.05 2duf s ARG 109 Ca -0.00 0.29 0.05 0.00 -0.13 0.00 0.00 55.73 55.94 2duf s ARG 109 Cb -0.09 -0.67 -0.05 0.00 -1.56 0.00 0.00 34.95 32.58 2duf s ARG 109 CO 0.02 -0.33 -0.11 0.00 -0.81 0.00 0.00 175.30 174.08 2duf s ALA 110 N 2.11 1.63 -0.06 6.12 0.00 -0.29 -0.72 121.76 130.55 2duf s ALA 110 Ca 0.05 -1.56 0.03 0.00 0.00 0.00 0.00 51.96 50.48 2duf s ALA 110 Cb -0.12 0.04 0.01 0.00 0.00 0.00 0.00 23.12 23.05 2duf s ALA 110 CO -0.04 -0.06 -0.13 -1.21 0.00 0.00 0.00 175.76 174.32 2duf s GLU 111 N -3.73 1.76 -0.21 0.00 2.02 -0.11 -0.86 118.70 117.57 2duf s GLU 111 Ca 0.19 -0.46 0.00 0.00 0.02 0.00 0.00 54.97 54.72 2duf s GLU 111 Cb 0.02 -1.46 0.02 0.00 0.10 0.00 0.00 34.13 32.82 2duf s GLU 111 CO 0.03 0.07 -0.13 0.08 0.02 0.00 0.00 175.26 175.33 2duf s VAL 112 N 0.53 2.45 0.28 2.63 1.01 -0.10 -1.59 120.40 125.61 2duf s VAL 112 Ca -0.13 -1.01 -0.21 0.00 0.00 0.00 0.00 61.98 60.64 2duf s VAL 112 Cb -0.15 -2.16 0.02 0.00 0.00 0.00 0.00 36.38 34.10 2duf s VAL 112 CO 0.04 0.36 0.73 -1.59 0.00 0.00 0.00 175.10 174.63 2duf s LYS 113 N 1.30 1.78 0.26 2.72 -2.85 -0.49 -1.32 119.74 121.14 2duf s LYS 113 Ca 0.02 -0.99 -0.21 0.00 -1.00 0.00 0.00 55.97 53.79 2duf s LYS 113 Cb -0.15 0.61 -0.09 0.00 -2.06 0.00 0.00 37.83 36.14 2duf s LYS 113 CO -0.08 -0.82 0.78 -0.06 0.10 0.00 0.00 175.35 175.27 2duf s PHE 114 N -3.89 3.62 -0.49 1.78 0.08 -0.98 -1.19 117.98 116.91 2duf s PHE 114 Ca 0.11 1.46 0.04 0.00 0.12 0.00 0.00 56.93 58.66 2duf s PHE 114 Cb -0.06 -2.68 0.13 0.00 -0.57 0.00 0.00 43.02 39.84 2duf s PHE 114 CO 0.07 0.27 0.23 -1.21 -0.10 0.00 0.00 175.22 174.48 2duf s GLU 115 N -2.12 1.85 6.69 0.44 0.41 -0.08 -4.93 118.70 120.95 2duf s GLU 115 Ca 0.46 -2.46 0.00 0.00 -0.41 0.00 0.00 54.97 52.56 2duf s GLU 115 Cb -0.16 -3.22 0.00 0.00 -1.78 0.00 0.00 34.13 28.97 2duf s GLU 115 CO 0.21 -1.09 0.00 0.41 -0.49 0.00 0.00 175.26 174.30 2duf n GLY 116 N 3.31 1.62 0.08 -1.39 0.00 -1.26 -2.38 105.19 105.17 2duf n GLY 116 Ca 0.05 -0.47 0.13 0.00 0.00 0.00 0.00 46.02 45.73 2duf n GLY 116 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2duf n ASP 117 N 5.99 0.60 -4.75 1.61 8.00 -1.26 -4.91 116.55 121.84 2duf n ASP 117 Ca 0.00 -0.39 -0.37 0.00 0.71 0.00 0.00 54.79 54.73 2duf n ASP 117 Cb 0.00 0.11 -0.06 0.00 -0.02 0.00 0.00 41.12 41.15 2duf n ASP 117 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 2duf s THR 118 N -2.80 5.21 -0.22 -3.53 2.01 -1.00 -4.28 115.64 111.03 2duf s THR 118 Ca 0.17 0.76 -0.18 0.00 0.31 0.00 0.00 61.69 62.75 2duf s THR 118 Cb 0.18 -3.72 -0.03 0.00 0.01 0.00 0.00 72.50 68.95 2duf s THR 118 CO 0.61 0.40 0.52 -0.22 -0.69 0.00 0.00 174.62 175.24 2duf s LEU 119 N 0.26 4.11 -0.09 4.42 1.98 -0.24 -0.91 118.68 128.21 2duf s LEU 119 Ca 0.22 0.63 0.02 0.00 -2.89 0.00 0.00 54.13 52.10 2duf s LEU 119 Cb -0.14 -2.70 -0.02 0.00 0.66 0.00 0.00 46.19 43.99 2duf s LEU 119 CO 0.08 -0.22 -0.14 -0.69 -1.89 0.00 0.00 176.35 173.49 2duf s VAL 120 N 1.88 3.06 -0.27 1.68 1.01 -0.34 -0.67 120.40 126.76 2duf s VAL 120 Ca 0.23 -0.69 0.03 0.00 0.00 0.00 0.00 61.98 61.55 2duf s VAL 120 Cb -0.15 -2.24 0.06 0.00 0.00 0.00 0.00 36.38 34.05 2duf s VAL 120 CO 0.09 0.56 -0.08 0.21 0.00 0.00 0.00 175.10 175.88 2duf s ASN 121 N -0.17 4.39 -0.20 3.32 2.47 -0.09 -1.39 114.94 123.26 2duf s ASN 121 Ca -0.00 -1.45 -0.05 0.00 0.42 0.00 0.00 52.86 51.78 2duf s ASN 121 Cb -0.13 -1.50 -0.02 0.00 -1.45 0.00 0.00 41.25 38.15 2duf s ASN 121 CO 0.03 -0.22 -0.01 -0.13 -3.72 0.00 0.00 177.10 173.05 2duf s ARG 122 N 1.13 3.57 0.05 0.43 0.52 -0.62 -1.01 118.95 123.02 2duf s ARG 122 Ca -0.06 -0.55 0.06 0.00 -0.52 0.00 0.00 55.73 54.66 2duf s ARG 122 Cb -0.20 -3.04 -0.02 0.00 0.52 0.00 0.00 34.95 32.21 2duf s ARG 122 CO -0.06 -0.01 -0.16 0.42 0.02 0.00 0.00 175.30 175.51 2duf s ILE 123 N 1.04 1.30 -0.12 1.52 1.01 0.06 -0.93 121.20 125.08 2duf s ILE 123 Ca 0.02 -1.13 0.02 0.00 0.00 0.00 0.00 60.65 59.56 2duf s ILE 123 Cb -0.14 -1.17 -0.00 0.00 0.01 0.00 0.00 42.46 41.15 2duf s ILE 123 CO 0.01 0.02 -0.20 -1.61 0.00 0.00 0.00 174.94 173.16 2duf s GLU 124 N -1.28 3.13 -0.09 2.79 0.41 0.10 -1.74 118.70 122.01 2duf s GLU 124 Ca 0.03 -0.82 0.04 0.00 -0.41 0.00 0.00 54.97 53.81 2duf s GLU 124 Cb -0.08 -2.44 -0.00 0.00 -1.78 0.00 0.00 34.13 29.83 2duf s GLU 124 CO 0.02 0.12 -0.23 -1.17 -0.49 0.00 0.00 175.26 173.51 2duf s LEU 125 N 0.51 2.05 -0.13 1.80 0.20 -0.43 -1.05 118.68 121.64 2duf s LEU 125 Ca -0.13 -0.53 0.02 0.00 0.69 0.00 0.00 54.13 54.18 2duf s LEU 125 Cb -0.17 -1.35 0.01 0.00 -0.43 0.00 0.00 46.19 44.26 2duf s LEU 125 CO 0.05 0.16 -0.18 -0.75 -0.29 0.00 0.00 176.35 175.34 2duf s LYS 126 N 0.31 2.56 -0.07 1.98 2.47 0.67 -2.11 119.74 125.55 2duf s LYS 126 Ca -0.17 -0.68 0.05 0.00 -1.56 0.00 0.00 55.97 53.61 2duf s LYS 126 Cb -0.17 -2.13 -0.01 0.00 -1.46 0.00 0.00 37.83 34.05 2duf s LYS 126 CO 0.08 -0.06 -0.21 0.20 0.16 0.00 0.00 175.35 175.52 2duf s GLY 127 N 0.96 1.38 0.09 5.54 0.00 0.18 -0.51 107.32 114.96 2duf s GLY 127 Ca -0.06 -1.01 -0.01 0.00 0.00 0.00 0.00 44.72 43.65 2duf s GLY 127 CO -0.03 -0.58 0.01 -0.26 0.00 0.00 0.00 173.10 172.24 2duf s ILE 128 N -0.16 0.20 -1.17 0.90 -4.36 -0.85 0.25 121.20 116.01 2duf s ILE 128 Ca -0.03 -1.87 0.00 0.00 -0.26 0.00 0.00 60.65 58.49 2duf s ILE 128 Cb -0.14 -1.80 0.00 0.00 1.25 0.00 0.00 42.46 41.78 2duf s ILE 128 CO 0.04 -0.72 0.00 0.47 0.24 0.00 0.00 174.94 174.96 2duf n ASP 129 N -0.01 -4.18 -4.82 4.36 8.00 -1.26 -1.56 116.55 117.08 2duf n ASP 129 Ca -0.10 0.16 -0.33 0.00 0.71 0.00 0.00 54.79 55.24 2duf n ASP 129 Cb 0.62 -3.03 -0.07 0.00 -0.02 0.00 0.00 41.12 38.63 2duf n ASP 129 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 2duf s PHE 130 N -2.51 3.32 -0.12 1.24 0.40 -1.26 -3.00 117.98 116.04 2duf s PHE 130 Ca 0.00 1.60 -0.26 0.00 -0.60 0.00 0.00 56.93 57.68 2duf s PHE 130 Cb 0.00 -2.85 -0.02 0.00 0.51 0.00 0.00 43.02 40.66 2duf s PHE 130 CO 0.00 -0.12 0.82 0.15 0.70 0.00 0.00 175.22 176.77 2duf s LYS 131 N -3.21 4.37 0.51 0.44 1.02 -1.26 -4.87 119.74 116.73 2duf s LYS 131 Ca 0.62 1.05 0.24 0.00 0.02 0.00 0.00 55.97 57.90 2duf s LYS 131 Cb -0.09 -3.53 1.33 0.00 -0.52 0.00 0.00 37.83 35.02 2duf s LYS 131 CO 0.14 -0.19 1.95 1.05 -0.92 0.00 0.00 175.35 177.38 2duf h GLU 132 N 7.11 0.10 -0.10 1.68 -0.00 -1.96 -0.23 114.58 121.19 2duf h GLU 132 Ca -0.34 -0.01 -0.02 0.00 -0.00 0.00 0.00 59.36 59.00 2duf h GLU 132 Cb 1.16 -0.02 -0.01 0.00 -0.00 0.00 0.00 28.75 29.88 2duf h GLU 132 CO 0.80 0.07 -0.08 -0.40 -0.00 0.00 0.00 179.01 179.40 2duf n ASP 133 N -4.38 2.62 -2.77 3.06 5.75 -1.26 -3.88 116.55 115.69 2duf n ASP 133 Ca 0.13 -3.27 -0.12 0.00 -0.01 0.00 0.00 54.79 51.53 2duf n ASP 133 Cb 0.68 -0.49 0.08 0.00 -1.03 0.00 0.00 41.12 40.36 2duf n ASP 133 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2duf n GLY 134 N -1.14 -1.50 0.28 6.12 0.00 -0.10 -4.64 105.19 104.21 2duf n GLY 134 Ca 0.19 -1.65 0.15 0.00 0.00 0.00 0.00 46.02 44.72 2duf n GLY 134 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 2duf h ASN 135 N -0.86 0.00 0.00 1.61 2.35 -1.92 -0.49 115.58 116.27 2duf h ASN 135 Ca -0.17 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.58 2duf h ASN 135 Cb 0.47 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.84 2duf h ASN 135 CO 0.12 0.07 -0.02 0.40 -1.65 0.00 0.00 177.43 176.34 2duf h ILE 136 N 0.00 0.00 0.00 2.81 5.03 -1.92 0.15 117.51 123.58 2duf h ILE 136 Ca -0.00 -0.08 -0.02 0.00 -0.12 0.00 0.00 64.86 64.64 2duf h ILE 136 Cb 0.26 0.00 -0.00 0.00 -3.03 0.00 0.00 36.82 34.04 2duf h ILE 136 CO 0.01 0.00 -0.08 -0.07 -0.68 0.00 0.00 178.15 177.33 2duf h LEU 137 N -0.08 0.00 -0.64 1.44 3.38 -1.76 -0.10 115.31 117.54 2duf h LEU 137 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2duf h LEU 137 Cb 0.02 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.77 2duf h LEU 137 CO 0.00 0.08 -0.07 0.61 0.09 0.00 0.00 178.44 179.16 2duf n GLY 138 N -0.57 -0.38 3.67 0.83 0.00 -0.19 -4.89 105.19 103.64 2duf n GLY 138 Ca -0.01 -0.38 -0.29 0.00 0.00 0.00 0.00 46.02 45.33 2duf n GLY 138 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2duf n HIS 139 N -0.30 -1.93 -0.71 1.61 8.25 -0.05 -4.91 115.22 117.17 2duf n HIS 139 Ca 0.18 0.52 0.08 0.00 -0.26 0.00 0.00 57.72 58.23 2duf n HIS 139 Cb 0.31 -3.56 0.27 0.00 1.12 0.00 0.00 29.99 28.13 2duf n HIS 139 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 2duf n LYS 140 N -4.13 3.30 -3.74 -0.41 5.02 0.52 -4.96 118.16 113.76 2duf n LYS 140 Ca -0.12 -2.70 -0.37 0.00 -2.02 0.00 0.00 58.31 53.11 2duf n LYS 140 Cb 0.60 -1.76 -0.07 0.00 -0.02 0.00 0.00 35.03 33.78 2duf n LYS 140 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2duf s LEU 141 N -2.18 4.33 0.60 -0.35 1.43 -1.25 -0.97 118.68 120.28 2duf s LEU 141 Ca 0.41 0.48 -0.19 0.00 -1.03 0.00 0.00 54.13 53.80 2duf s LEU 141 Cb 0.29 -2.19 -0.03 0.00 0.03 0.00 0.00 46.19 44.29 2duf s LEU 141 CO 0.15 0.29 1.20 -1.61 0.23 0.00 0.00 176.35 176.61 2duf s GLU 142 N -0.44 2.95 -1.24 1.70 2.02 -0.32 -4.86 118.70 118.52 2duf s GLU 142 Ca 0.15 1.80 -0.11 0.00 0.02 0.00 0.00 54.97 56.83 2duf s GLU 142 Cb -0.12 -1.93 0.17 0.00 0.10 0.00 0.00 34.13 32.35 2duf s GLU 142 CO 0.04 -1.22 1.67 0.98 0.02 0.00 0.00 175.26 176.75 2duf n TYR 143 N -1.65 3.83 -3.74 1.61 9.36 -1.26 -4.80 117.16 120.51 2duf n TYR 143 Ca 0.13 -3.04 -0.09 0.00 3.32 0.00 0.00 57.90 58.23 2duf n TYR 143 Cb 0.50 -2.03 0.02 0.00 -0.63 0.00 0.00 39.34 37.19 2duf n TYR 143 CO 0.00 0.00 0.00 0.27 0.22 0.00 0.00 176.86 177.35 2duf n ASN 144 N 4.56 -1.89 -3.66 2.98 0.23 -1.26 -4.86 115.26 111.35 2duf n ASN 144 Ca 0.38 -2.44 -0.14 0.00 -0.53 0.00 0.00 54.58 51.85 2duf n ASN 144 Cb 0.39 3.19 -0.08 0.00 -2.08 0.00 0.00 39.78 41.20 2duf n ASN 144 CO 0.00 0.00 0.00 -0.47 -0.93 0.00 0.00 177.26 175.86 2duf s TYR 145 N -3.05 -0.53 0.20 -2.53 5.04 -1.26 -4.87 117.35 110.35 2duf s TYR 145 Ca 0.16 1.16 -0.03 0.00 -2.44 0.00 0.00 57.07 55.92 2duf s TYR 145 Cb -0.04 0.23 -0.05 0.00 0.35 0.00 0.00 41.96 42.46 2duf s TYR 145 CO 0.12 -0.38 0.42 -0.80 -1.34 0.00 0.00 175.55 173.56 2duf s ASN 146 N -0.36 6.42 0.62 4.32 0.01 -1.26 -4.74 114.94 119.95 2duf s ASN 146 Ca -0.05 0.51 -0.12 0.00 -0.71 0.00 0.00 52.86 52.49 2duf s ASN 146 Cb -0.03 -2.05 -0.03 0.00 0.41 0.00 0.00 41.25 39.54 2duf s ASN 146 CO 0.04 -0.05 1.03 -0.44 -1.51 0.00 0.00 177.10 176.17 2duf s SER 147 N -2.98 6.05 0.36 -1.22 0.01 -1.26 -4.69 113.70 109.97 2duf s SER 147 Ca 0.40 1.51 -0.17 0.00 1.31 0.00 0.00 55.95 59.00 2duf s SER 147 Cb -0.11 -2.48 0.05 0.00 0.21 0.00 0.00 66.02 63.69 2duf s SER 147 CO 0.28 -0.99 0.80 1.51 0.41 0.00 0.00 173.24 175.25 2duf s ASP 148 N -3.88 -0.02 -0.07 2.44 1.47 -0.53 -5.00 116.67 111.08 2duf s ASP 148 Ca 0.57 -1.06 0.00 0.00 1.18 0.00 0.00 52.55 53.24 2duf s ASP 148 Cb -0.12 0.82 0.02 0.00 -0.34 0.00 0.00 42.92 43.30 2duf s ASP 148 CO 0.51 -1.61 -0.05 0.20 0.68 0.00 0.00 175.17 174.89 2duf s ASN 149 N -3.07 1.57 0.02 2.11 0.01 -1.26 -0.80 114.94 113.52 2duf s ASN 149 Ca 0.15 -0.19 0.07 0.00 -0.71 0.00 0.00 52.86 52.18 2duf s ASN 149 Cb -0.05 -0.61 -0.03 0.00 0.41 0.00 0.00 41.25 40.97 2duf s ASN 149 CO 0.11 -0.09 -0.18 0.68 -1.51 0.00 0.00 177.10 176.10 2duf s VAL 150 N 1.37 2.76 -0.43 1.60 -7.23 -0.11 -4.91 120.40 113.45 2duf s VAL 150 Ca -0.03 -1.10 -0.17 0.00 -1.81 0.00 0.00 61.98 58.88 2duf s VAL 150 Cb -0.14 -2.13 0.03 0.00 0.56 0.00 0.00 36.38 34.71 2duf s VAL 150 CO -0.03 0.41 0.42 -0.72 -0.31 0.00 0.00 175.10 174.87 2duf s TYR 151 N -0.86 3.18 -0.01 2.82 1.13 -1.26 -0.60 117.35 121.76 2duf s TYR 151 Ca 0.14 -0.51 -0.26 0.00 -1.41 0.00 0.00 57.07 55.02 2duf s TYR 151 Cb -0.10 -2.93 -0.04 0.00 -1.10 0.00 0.00 41.96 37.78 2duf s TYR 151 CO 0.04 -0.72 0.83 0.42 -2.51 0.00 0.00 175.55 173.60 2duf s ILE 152 N 2.03 4.88 0.07 -3.49 -1.09 -0.11 -4.37 121.20 119.12 2duf s ILE 152 Ca 0.10 1.74 0.07 0.00 -2.23 0.00 0.00 60.65 60.33 2duf s ILE 152 Cb -0.19 -4.17 -0.03 0.00 -1.58 0.00 0.00 42.46 36.49 2duf s ILE 152 CO 0.12 0.25 -0.19 -0.04 -1.23 0.00 0.00 174.94 173.85 2duf s MET 153 N 0.64 1.13 0.48 2.79 -1.94 -0.62 -2.79 119.30 119.00 2duf s MET 153 Ca 0.43 -0.99 -0.21 0.00 -1.71 0.00 0.00 55.69 53.22 2duf s MET 153 Cb -0.20 -1.27 -0.08 0.00 2.01 0.00 0.00 34.83 35.29 2duf s MET 153 CO 0.23 0.31 1.06 0.00 -0.01 0.00 0.00 175.02 176.62 2duf s ALA 154 N -1.00 2.87 -0.61 3.03 0.00 -1.25 -0.75 121.76 124.05 2duf s ALA 154 Ca 0.05 0.68 0.04 0.00 0.00 0.00 0.00 51.96 52.73 2duf s ALA 154 Cb -0.09 -3.28 0.15 0.00 0.00 0.00 0.00 23.12 19.89 2duf s ALA 154 CO 0.03 -0.41 0.37 0.34 0.00 0.00 0.00 175.76 176.09 2duf s ASP 155 N -1.86 4.58 0.39 0.00 2.15 -0.12 -4.63 116.67 117.18 2duf s ASP 155 Ca 0.67 -3.42 0.09 0.00 0.43 0.00 0.00 52.55 50.33 2duf s ASP 155 Cb -0.19 -1.64 0.87 0.00 -0.30 0.00 0.00 42.92 41.65 2duf s ASP 155 CO 0.23 -0.16 1.96 0.07 -0.17 0.00 0.00 175.17 177.10 2duf h LYS 156 N 5.98 0.59 -0.36 4.34 2.10 -1.94 -1.30 116.57 125.98 2duf h LYS 156 Ca 0.03 -0.04 0.07 0.00 -2.00 0.00 0.00 60.65 58.72 2duf h LYS 156 Cb 0.83 -0.13 -0.07 0.00 -0.90 0.00 0.00 32.23 31.95 2duf h LYS 156 CO 0.70 0.39 -0.10 -0.56 -2.00 0.00 0.00 179.45 177.88 2duf h GLN 157 N 0.61 -0.02 -0.08 0.07 -0.00 -1.94 -2.08 115.11 111.67 2duf h GLN 157 Ca 0.30 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.95 2duf h GLN 157 Cb 0.39 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 27.88 2duf h GLN 157 CO -0.10 -0.01 0.00 1.63 -0.00 0.00 0.00 178.83 180.35 2duf n LYS 158 N -5.30 2.14 -3.39 0.06 4.01 -1.09 -4.95 118.16 109.64 2duf n LYS 158 Ca 0.01 -1.66 -0.18 0.00 -0.51 0.00 0.00 58.31 55.97 2duf n LYS 158 Cb 0.21 -1.47 0.08 0.00 -0.51 0.00 0.00 35.03 33.34 2duf n LYS 158 CO 0.00 0.00 0.00 -1.71 -1.11 0.00 0.00 177.40 174.58 2duf n ASN 159 N 0.99 -3.97 0.00 4.39 5.15 -0.54 -4.78 115.26 116.50 2duf n ASN 159 Ca 0.16 -0.52 0.00 0.00 -0.60 0.00 0.00 54.58 53.62 2duf n ASN 159 Cb 0.52 -4.62 0.00 0.00 -0.53 0.00 0.00 39.78 35.15 2duf n ASN 159 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2duf n GLY 160 N -1.49 5.41 3.33 8.20 0.00 -0.92 -4.37 105.19 115.35 2duf n GLY 160 Ca -0.13 -1.12 -0.17 0.00 0.00 0.00 0.00 46.02 44.61 2duf n GLY 160 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2duf s ILE 161 N 1.00 0.66 0.02 -0.61 -5.25 -0.49 -0.95 121.20 115.58 2duf s ILE 161 Ca 0.00 -2.00 -0.01 0.00 -0.99 0.00 0.00 60.65 57.65 2duf s ILE 161 Cb 0.00 -2.61 -0.02 0.00 2.95 0.00 0.00 42.46 42.79 2duf s ILE 161 CO 0.00 -0.05 -0.00 -1.59 -1.79 0.00 0.00 174.94 171.51 2duf s LYS 162 N -4.00 0.32 -0.02 0.37 -2.85 0.07 -1.57 119.74 112.06 2duf s LYS 162 Ca 0.36 -0.54 -0.03 0.00 -1.00 0.00 0.00 55.97 54.76 2duf s LYS 162 Cb 0.08 0.12 0.00 0.00 -2.06 0.00 0.00 37.83 35.97 2duf s LYS 162 CO 0.13 -0.06 0.08 0.08 0.10 0.00 0.00 175.35 175.68 2duf s VAL 163 N -1.37 0.03 -0.08 1.79 1.01 0.41 -1.58 120.40 120.61 2duf s VAL 163 Ca -0.15 -0.26 -0.01 0.00 0.00 0.00 0.00 61.98 61.56 2duf s VAL 163 Cb -0.09 -0.21 0.03 0.00 0.00 0.00 0.00 36.38 36.11 2duf s VAL 163 CO -0.01 -0.14 0.00 0.21 0.00 0.00 0.00 175.10 175.16 2duf s ASN 164 N -0.44 1.65 0.11 3.32 3.04 -1.26 0.32 114.94 121.68 2duf s ASN 164 Ca -0.05 -0.12 -0.13 0.00 0.04 0.00 0.00 52.86 52.61 2duf s ASN 164 Cb -0.03 -0.45 0.02 0.00 -1.54 0.00 0.00 41.25 39.24 2duf s ASN 164 CO 0.00 -0.20 0.30 0.72 -3.04 0.00 0.00 177.10 174.88 2duf s PHE 165 N 1.97 -0.04 -0.07 0.43 -0.71 -0.64 -4.62 117.98 114.30 2duf s PHE 165 Ca 0.05 -0.33 0.02 0.00 -1.04 0.00 0.00 56.93 55.62 2duf s PHE 165 Cb -0.12 0.11 -0.03 0.00 -1.21 0.00 0.00 43.02 41.76 2duf s PHE 165 CO -0.05 -0.62 -0.10 0.15 -1.34 0.00 0.00 175.22 173.26 2duf s LYS 166 N -3.80 2.70 -0.04 1.99 1.02 -1.26 -0.41 119.74 119.95 2duf s LYS 166 Ca 0.04 -0.60 0.07 0.00 0.02 0.00 0.00 55.97 55.49 2duf s LYS 166 Cb 0.03 -2.52 -0.01 0.00 -0.52 0.00 0.00 37.83 34.80 2duf s LYS 166 CO -0.11 0.63 -0.24 0.42 -0.92 0.00 0.00 175.35 175.13 2duf s ILE 167 N -0.73 1.89 -0.20 2.17 -1.09 -0.57 -4.98 121.20 117.70 2duf s ILE 167 Ca 0.11 -1.00 -0.04 0.00 -2.23 0.00 0.00 60.65 57.49 2duf s ILE 167 Cb -0.11 -1.59 -0.01 0.00 -1.58 0.00 0.00 42.46 39.17 2duf s ILE 167 CO 0.01 0.53 -0.05 -0.13 -1.23 0.00 0.00 174.94 174.08 2duf s ARG 168 N -0.35 3.44 -0.15 2.79 0.52 -1.26 -0.23 118.95 123.71 2duf s ARG 168 Ca 0.03 -0.61 -0.07 0.00 -0.52 0.00 0.00 55.73 54.56 2duf s ARG 168 Cb -0.11 -2.97 -0.04 0.00 0.52 0.00 0.00 34.95 32.35 2duf s ARG 168 CO 0.01 -0.08 0.10 -1.01 0.02 0.00 0.00 175.30 174.34 2duf s HIS 169 N 1.19 3.40 0.08 -0.53 3.76 -0.34 -4.57 115.29 118.27 2duf s HIS 169 Ca 0.02 0.31 -0.31 0.00 -0.15 0.00 0.00 55.06 54.94 2duf s HIS 169 Cb -0.14 -2.01 -0.06 0.00 1.11 0.00 0.00 32.58 31.48 2duf s HIS 169 CO -0.01 0.44 1.21 -0.80 -0.85 0.00 0.00 174.74 174.73 2duf s ASN 170 N -0.30 7.07 0.18 1.40 0.02 -1.26 -0.26 114.94 121.79 2duf s ASN 170 Ca 0.10 2.06 -0.07 0.00 -1.02 0.00 0.00 52.86 53.92 2duf s ASN 170 Cb -0.12 -2.58 -0.06 0.00 0.02 0.00 0.00 41.25 38.51 2duf s ASN 170 CO 0.01 -0.47 0.45 -0.63 0.02 0.00 0.00 177.10 176.49 2duf s ILE 171 N 0.95 5.06 0.57 0.60 1.01 -0.02 -1.17 121.20 128.19 2duf s ILE 171 Ca 0.58 0.26 0.26 0.00 0.00 0.00 0.00 60.65 61.75 2duf s ILE 171 Cb -0.30 -3.62 0.34 0.00 0.01 0.00 0.00 42.46 38.89 2duf s ILE 171 CO 0.30 0.01 2.14 -0.33 0.00 0.00 0.00 174.94 177.06 2duf h GLU 172 N 2.77 0.00 -0.02 2.79 5.08 -1.37 -1.03 114.58 122.80 2duf h GLU 172 Ca -0.47 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.89 2duf h GLU 172 Cb 1.17 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.42 2duf h GLU 172 CO 0.71 0.00 0.00 -0.40 -1.00 0.00 0.00 179.01 178.32 2duf n ASP 173 N -4.03 0.15 0.00 1.42 5.75 -1.26 -4.87 116.55 113.71 2duf n ASP 173 Ca 0.00 -1.73 0.00 0.00 -0.01 0.00 0.00 54.79 53.05 2duf n ASP 173 Cb 0.24 -0.01 0.00 0.00 -1.03 0.00 0.00 41.12 40.31 2duf n ASP 173 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2duf n GLY 174 N 0.68 3.07 1.94 6.12 0.00 -0.39 -5.06 105.19 111.54 2duf n GLY 174 Ca 0.07 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.95 2duf n GLY 174 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2duf n SER 175 N 0.00 0.11 -4.12 1.61 2.88 -1.25 -4.82 113.62 108.04 2duf n SER 175 Ca 0.00 -1.27 -0.22 0.00 -1.33 0.00 0.00 58.87 56.05 2duf n SER 175 Cb 0.00 -0.49 -0.15 0.00 -0.75 0.00 0.00 64.21 62.82 2duf n SER 175 CO 0.00 0.00 0.00 0.68 -1.23 0.00 0.00 175.04 174.49 2duf s VAL 176 N -2.37 1.12 -0.41 2.46 -7.23 -1.26 -0.84 120.40 111.87 2duf s VAL 176 Ca 0.38 -0.69 -0.09 0.00 -1.81 0.00 0.00 61.98 59.77 2duf s VAL 176 Cb -0.01 -0.95 0.07 0.00 0.56 0.00 0.00 36.38 36.06 2duf s VAL 176 CO 0.26 0.25 0.24 -1.58 -0.31 0.00 0.00 175.10 173.96 2duf s GLN 177 N -0.51 2.59 0.31 4.82 2.00 0.65 -4.90 119.66 124.61 2duf s GLN 177 Ca 0.05 -1.44 -0.28 0.00 -2.00 0.00 0.00 55.36 51.69 2duf s GLN 177 Cb -0.06 -3.74 -0.09 0.00 0.80 0.00 0.00 33.01 29.92 2duf s GLN 177 CO -0.00 -0.92 1.04 -1.17 -0.50 0.00 0.00 175.29 173.74 2duf s LEU 178 N 1.42 4.45 -0.25 3.68 2.96 -1.26 -1.19 118.68 128.47 2duf s LEU 178 Ca 0.03 2.11 -0.01 0.00 -0.22 0.00 0.00 54.13 56.05 2duf s LEU 178 Cb -0.23 -3.80 0.07 0.00 0.50 0.00 0.00 46.19 42.74 2duf s LEU 178 CO 0.02 -0.17 0.03 0.00 -1.32 0.00 0.00 176.35 174.91 2duf s ALA 179 N -1.33 1.61 -0.23 5.97 0.00 0.68 -1.49 121.76 126.97 2duf s ALA 179 Ca 0.48 -1.34 -0.21 0.00 0.00 0.00 0.00 51.96 50.89 2duf s ALA 179 Cb -0.27 -1.45 -0.02 0.00 0.00 0.00 0.00 23.12 21.38 2duf s ALA 179 CO 0.34 -1.37 0.64 0.34 0.00 0.00 0.00 175.76 175.72 2duf s ASP 180 N 1.57 6.63 -0.14 0.00 -1.08 -0.29 -1.50 116.67 121.86 2duf s ASP 180 Ca 0.01 0.77 -0.06 0.00 -0.52 0.00 0.00 52.55 52.76 2duf s ASP 180 Cb -0.18 -2.35 -0.04 0.00 -1.46 0.00 0.00 42.92 38.90 2duf s ASP 180 CO -0.13 -0.34 0.08 -1.00 0.52 0.00 0.00 175.17 174.30 2duf s HIS 181 N 2.28 3.35 -0.13 -5.34 3.76 0.46 -0.17 115.29 119.50 2duf s HIS 181 Ca 0.28 0.27 0.01 0.00 -0.15 0.00 0.00 55.06 55.46 2duf s HIS 181 Cb -0.16 -1.96 0.02 0.00 1.11 0.00 0.00 32.58 31.59 2duf s HIS 181 CO 0.09 0.44 -0.14 0.71 -0.85 0.00 0.00 174.74 174.99 2duf s TYR 182 N -0.42 2.02 0.08 1.40 2.02 -0.07 -1.63 117.35 120.75 2duf s TYR 182 Ca 0.10 -1.07 0.07 0.00 -0.37 0.00 0.00 57.07 55.80 2duf s TYR 182 Cb -0.12 -1.50 -0.03 0.00 -0.40 0.00 0.00 41.96 39.92 2duf s TYR 182 CO 0.02 -0.59 -0.17 -1.14 -1.57 0.00 0.00 175.55 172.09 2duf s GLN 183 N 1.37 1.01 -0.05 -0.62 0.74 0.15 -1.46 119.66 120.81 2duf s GLN 183 Ca 0.02 -1.01 -0.04 0.00 0.05 0.00 0.00 55.36 54.38 2duf s GLN 183 Cb -0.13 -1.13 0.02 0.00 1.10 0.00 0.00 33.01 32.87 2duf s GLN 183 CO -0.08 0.26 0.13 1.14 -0.55 0.00 0.00 175.29 176.19 2duf s GLN 184 N -1.67 0.12 -0.02 1.67 0.00 -0.47 -0.44 119.66 118.85 2duf s GLN 184 Ca 0.03 0.23 0.05 0.00 -0.00 0.00 0.00 55.36 55.67 2duf s GLN 184 Cb -0.10 -0.01 -0.01 0.00 0.00 0.00 0.00 33.01 32.89 2duf s GLN 184 CO 0.03 -0.06 -0.18 -0.80 0.00 0.00 0.00 175.29 174.28 2duf s ASN 185 N 0.41 2.08 0.02 12.60 -0.87 -0.61 -1.03 114.94 127.54 2duf s ASN 185 Ca -0.03 -0.32 -0.00 0.00 -1.57 0.00 0.00 52.86 50.94 2duf s ASN 185 Cb -0.04 -0.28 -0.02 0.00 -0.02 0.00 0.00 41.25 40.89 2duf s ASN 185 CO -0.02 0.21 -0.03 0.42 -2.57 0.00 0.00 177.10 175.12 2duf s THR 186 N -0.36 0.09 0.52 1.60 -4.23 -0.88 -1.39 115.64 111.00 2duf s THR 186 Ca 0.05 -0.78 -0.21 0.00 -1.18 0.00 0.00 61.69 59.57 2duf s THR 186 Cb -0.07 -0.22 -0.06 0.00 1.34 0.00 0.00 72.50 73.49 2duf s THR 186 CO -0.00 -0.43 1.24 -2.84 -0.54 0.00 0.00 174.62 172.05 2duf s PRO 187 N -1.25 3.35 -0.12 3.99 0.02 -1.26 0.36 135.00 140.09 2duf s PRO 187 Ca -0.14 1.94 -0.22 0.00 0.02 0.00 0.00 61.00 62.60 2duf s PRO 187 Cb -0.09 -2.23 -0.27 0.00 0.02 0.00 0.00 34.50 31.93 2duf s PRO 187 CO -0.01 -0.93 0.65 0.82 -0.33 0.00 0.00 177.00 177.20 2duf h ILE 188 N 1.48 1.37 -0.71 2.83 2.04 -1.29 -3.43 117.51 119.80 2duf h ILE 188 Ca -0.50 -2.38 0.00 0.00 1.00 0.00 0.00 64.86 62.97 2duf h ILE 188 Cb 1.28 2.97 0.00 0.00 -0.74 0.00 0.00 36.82 40.33 2duf h ILE 188 CO 0.58 0.61 0.00 0.61 0.00 0.00 0.00 178.15 179.95 2duf n GLY 189 N 1.63 -3.16 0.03 5.37 0.00 -1.26 -4.86 105.19 102.93 2duf n GLY 189 Ca -0.19 -1.05 0.01 0.00 0.00 0.00 0.00 46.02 44.79 2duf n GLY 189 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2duf n ASP 190 N -2.13 0.66 -4.40 1.61 5.75 -1.26 -5.02 116.55 111.76 2duf n ASP 190 Ca 0.00 -0.83 -0.32 0.00 -0.01 0.00 0.00 54.79 53.63 2duf n ASP 190 Cb 0.00 0.42 0.15 0.00 -1.03 0.00 0.00 41.12 40.65 2duf n ASP 190 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2duf n GLY 191 N 0.46 -2.02 3.88 6.12 0.00 -1.26 -4.97 105.19 107.41 2duf n GLY 191 Ca 0.00 -0.78 -0.30 0.00 0.00 0.00 0.00 46.02 44.95 2duf n GLY 191 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2duf s PRO 192 N -3.70 3.63 0.16 1.61 0.04 -1.26 -5.06 135.00 130.43 2duf s PRO 192 Ca 0.58 0.58 -0.03 0.00 0.04 0.00 0.00 61.00 62.17 2duf s PRO 192 Cb -0.19 -2.20 -0.03 0.00 0.04 0.00 0.00 34.50 32.11 2duf s PRO 192 CO 0.66 -0.38 0.13 0.14 0.04 0.00 0.00 177.00 177.59 2duf s VAL 193 N -2.92 0.06 -0.25 -0.36 -7.23 -1.26 -4.72 120.40 103.73 2duf s VAL 193 Ca 0.53 -1.85 -0.12 0.00 -1.81 0.00 0.00 61.98 58.73 2duf s VAL 193 Cb -0.11 -2.16 -0.05 0.00 0.56 0.00 0.00 36.38 34.63 2duf s VAL 193 CO 0.47 -0.29 0.23 -0.76 -0.31 0.00 0.00 175.10 174.44 2duf s LEU 194 N -3.07 4.09 -0.14 1.32 1.43 -1.26 -5.07 118.68 115.98 2duf s LEU 194 Ca 0.27 0.16 -0.17 0.00 -1.03 0.00 0.00 54.13 53.36 2duf s LEU 194 Cb 0.06 -2.21 -0.04 0.00 0.03 0.00 0.00 46.19 44.03 2duf s LEU 194 CO 0.05 -0.02 0.45 -0.76 0.23 0.00 0.00 176.35 176.30 2duf s LEU 195 N 1.42 4.25 0.32 1.79 1.02 -1.26 -3.76 118.68 122.46 2duf s LEU 195 Ca 0.10 0.73 -0.04 0.00 0.02 0.00 0.00 54.13 54.94 2duf s LEU 195 Cb -0.15 -2.64 -0.05 0.00 0.02 0.00 0.00 46.19 43.38 2duf s LEU 195 CO 0.07 -0.01 0.58 -2.16 0.02 0.00 0.00 176.35 174.85 2duf s PRO 196 N 0.76 3.60 0.82 1.29 0.04 -1.26 -4.84 135.00 135.40 2duf s PRO 196 Ca 0.24 -0.03 -0.12 0.00 0.04 0.00 0.00 61.00 61.13 2duf s PRO 196 Cb -0.15 -2.62 0.08 0.00 0.04 0.00 0.00 34.50 31.86 2duf s PRO 196 CO 0.09 0.16 1.16 -0.51 0.04 0.00 0.00 177.00 177.93 2duf s ASP 197 N -3.41 4.42 0.32 6.66 1.01 -1.26 -3.74 116.67 120.67 2duf s ASP 197 Ca 0.44 0.89 -0.29 0.00 0.71 0.00 0.00 52.55 54.30 2duf s ASP 197 Cb -0.10 -1.45 -0.10 0.00 1.01 0.00 0.00 42.92 42.27 2duf s ASP 197 CO 0.32 -1.97 1.38 0.20 0.21 0.00 0.00 175.17 175.32 2duf s ASN 198 N -4.40 6.65 0.31 0.27 0.02 -1.26 -4.78 114.94 111.75 2duf s ASN 198 Ca 0.62 2.75 -0.18 0.00 -1.02 0.00 0.00 52.86 55.03 2duf s ASN 198 Cb -0.12 -2.65 0.06 0.00 0.02 0.00 0.00 41.25 38.57 2duf s ASN 198 CO 0.51 -0.65 0.89 -1.38 0.02 0.00 0.00 177.10 176.49 2duf s HIS 199 N -0.79 0.11 0.18 2.20 -3.43 -1.12 -4.83 115.29 107.61 2duf s HIS 199 Ca 0.53 -0.68 0.10 0.00 -0.80 0.00 0.00 55.06 54.21 2duf s HIS 199 Cb -0.42 0.79 -0.04 0.00 -1.43 0.00 0.00 32.58 31.48 2duf s HIS 199 CO 0.52 -1.32 -0.21 0.71 -2.00 0.00 0.00 174.74 172.45 2duf s TYR 200 N -2.21 2.02 -0.13 0.38 1.51 -0.48 -0.93 117.35 117.51 2duf s TYR 200 Ca 0.18 -0.42 -0.01 0.00 -1.01 0.00 0.00 57.07 55.82 2duf s TYR 200 Cb -0.04 -1.00 -0.02 0.00 -0.11 0.00 0.00 41.96 40.79 2duf s TYR 200 CO 0.09 0.41 -0.11 -0.51 -1.11 0.00 0.00 175.55 174.32 2duf s LEU 201 N -2.69 2.82 -0.23 -1.29 1.43 0.23 -0.83 118.68 118.13 2duf s LEU 201 Ca 0.18 -0.28 -0.07 0.00 -1.03 0.00 0.00 54.13 52.94 2duf s LEU 201 Cb -0.07 -1.64 -0.03 0.00 0.03 0.00 0.00 46.19 44.49 2duf s LEU 201 CO 0.08 0.18 0.05 -0.44 0.23 0.00 0.00 176.35 176.45 2duf s SER 202 N 0.27 5.05 0.11 2.29 0.01 0.44 -0.93 113.70 120.93 2duf s SER 202 Ca -0.08 -0.19 0.10 0.00 1.31 0.00 0.00 55.95 57.09 2duf s SER 202 Cb -0.15 -1.89 -0.04 0.00 0.21 0.00 0.00 66.02 64.15 2duf s SER 202 CO 0.05 0.01 -0.26 -0.89 0.41 0.00 0.00 173.24 172.56 2duf s THR 203 N 1.36 2.16 0.00 1.44 2.01 0.02 -1.62 115.64 121.01 2duf s THR 203 Ca 0.05 -1.64 0.04 0.00 0.31 0.00 0.00 61.69 60.45 2duf s THR 203 Cb -0.15 -1.90 -0.01 0.00 0.01 0.00 0.00 72.50 70.45 2duf s THR 203 CO 0.03 0.14 -0.12 0.00 -0.69 0.00 0.00 174.62 173.97 2duf s GLN 204 N -1.84 0.95 -0.03 4.92 -2.07 -0.73 -1.45 119.66 119.41 2duf s GLN 204 Ca 0.13 -0.51 0.01 0.00 -1.82 0.00 0.00 55.36 53.16 2duf s GLN 204 Cb -0.10 -0.92 0.02 0.00 -1.09 0.00 0.00 33.01 30.92 2duf s GLN 204 CO 0.05 0.25 -0.03 -1.12 -1.32 0.00 0.00 175.29 173.12 2duf s SER 205 N -0.51 0.66 -0.14 12.60 0.01 -1.26 -1.90 113.70 123.15 2duf s SER 205 Ca 0.04 -0.08 0.01 0.00 1.31 0.00 0.00 55.95 57.22 2duf s SER 205 Cb -0.05 -0.31 -0.00 0.00 0.21 0.00 0.00 66.02 65.86 2duf s SER 205 CO -0.00 -0.06 -0.16 0.00 0.41 0.00 0.00 173.24 173.43 2duf s ALA 206 N 0.85 2.49 0.03 1.44 0.00 0.47 -4.51 121.76 122.53 2duf s ALA 206 Ca -0.10 -1.00 0.00 0.00 0.00 0.00 0.00 51.96 50.86 2duf s ALA 206 Cb -0.13 -1.18 -0.04 0.00 0.00 0.00 0.00 23.12 21.77 2duf s ALA 206 CO -0.01 0.06 0.13 -0.51 0.00 0.00 0.00 175.76 175.44 2duf s LEU 207 N 0.66 4.07 0.36 0.00 1.43 -1.26 -1.40 118.68 122.54 2duf s LEU 207 Ca -0.08 0.17 -0.11 0.00 -1.03 0.00 0.00 54.13 53.09 2duf s LEU 207 Cb -0.16 -2.54 0.03 0.00 0.03 0.00 0.00 46.19 43.55 2duf s LEU 207 CO 0.02 0.22 0.66 -0.94 0.23 0.00 0.00 176.35 176.54 2duf s SER 208 N -2.11 0.35 0.12 2.29 1.04 0.18 -4.97 113.70 110.60 2duf s SER 208 Ca 0.28 -1.25 0.09 0.00 0.48 0.00 0.00 55.95 55.54 2duf s SER 208 Cb -0.12 0.77 -0.04 0.00 0.10 0.00 0.00 66.02 66.73 2duf s SER 208 CO 0.20 -1.51 -0.21 -0.54 0.98 0.00 0.00 173.24 172.15 2duf s LYS 209 N -2.70 1.19 -0.51 4.02 -0.14 -1.26 -1.24 119.74 119.09 2duf s LYS 209 Ca 0.21 -1.23 -0.20 0.00 -1.36 0.00 0.00 55.97 53.39 2duf s LYS 209 Cb -0.03 -1.45 0.06 0.00 -1.68 0.00 0.00 37.83 34.72 2duf s LYS 209 CO 0.15 0.33 0.66 0.34 -0.76 0.00 0.00 175.35 176.07 2duf s ASP 210 N -2.06 6.24 0.57 2.83 -1.08 -1.26 -4.93 116.67 116.98 2duf s ASP 210 Ca 0.09 -0.86 0.33 0.00 -0.52 0.00 0.00 52.55 51.59 2duf s ASP 210 Cb -0.09 -2.31 1.41 0.00 -1.46 0.00 0.00 42.92 40.47 2duf s ASP 210 CO 0.05 -0.94 1.71 1.55 0.52 0.00 0.00 175.17 178.07 2duf h PRO 211 N 9.04 0.00 -0.52 4.34 0.13 -2.04 0.13 132.00 143.07 2duf h PRO 211 Ca -0.27 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.86 2duf h PRO 211 Cb 1.09 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.22 2duf h PRO 211 CO 0.98 0.00 0.00 0.09 -0.23 0.00 0.00 178.00 178.84 2duf n ASN 212 N -3.80 2.89 -4.49 1.44 5.03 -1.26 -4.91 115.26 110.16 2duf n ASN 212 Ca 0.21 -1.99 -0.36 0.00 0.87 0.00 0.00 54.58 53.31 2duf n ASN 212 Cb 1.17 -0.35 -0.12 0.00 -1.02 0.00 0.00 39.78 39.46 2duf n ASN 212 CO 0.00 0.00 0.00 -0.70 -1.83 0.00 0.00 177.26 174.73 2duf s GLU 213 N -1.30 3.72 0.03 3.52 2.56 0.45 -4.94 118.70 122.74 2duf s GLU 213 Ca 0.36 -0.45 0.23 0.00 0.00 0.00 0.00 54.97 55.12 2duf s GLU 213 Cb 0.19 -3.30 0.18 0.00 2.00 0.00 0.00 34.13 33.20 2duf s GLU 213 CO 0.25 -0.09 1.16 1.63 -0.56 0.00 0.00 175.26 177.65 2duf n LYS 214 N 4.63 0.16 -1.92 4.30 4.01 -1.26 -4.89 118.16 123.18 2duf n LYS 214 Ca -0.16 0.01 -0.30 0.00 -0.51 0.00 0.00 58.31 57.34 2duf n LYS 214 Cb 0.52 -1.56 0.02 0.00 -0.51 0.00 0.00 35.03 33.50 2duf n LYS 214 CO 0.00 0.00 0.00 1.03 -1.11 0.00 0.00 177.40 177.32 2duf s ARG 215 N -3.11 3.29 0.04 1.97 0.52 -1.26 -5.00 118.95 115.41 2duf s ARG 215 Ca 0.07 0.59 -0.31 0.00 -0.52 0.00 0.00 55.73 55.57 2duf s ARG 215 Cb 0.15 -2.07 -0.06 0.00 0.52 0.00 0.00 34.95 33.49 2duf s ARG 215 CO 0.77 -0.74 1.33 0.34 0.02 0.00 0.00 175.30 177.02 2duf s ASP 216 N -4.25 6.92 0.38 0.23 2.15 -1.26 -4.95 116.67 115.88 2duf s ASP 216 Ca 0.56 2.12 -0.10 0.00 0.43 0.00 0.00 52.55 55.56 2duf s ASP 216 Cb -0.11 -2.57 0.04 0.00 -0.30 0.00 0.00 42.92 39.98 2duf s ASP 216 CO 0.52 -0.63 0.69 0.00 -0.17 0.00 0.00 175.17 175.58 2duf n HIS 217 N 4.61 -2.05 -3.69 -5.34 1.44 -1.26 -0.42 115.22 108.51 2duf n HIS 217 Ca 0.11 -2.08 -0.11 0.00 -2.01 0.00 0.00 57.72 53.64 2duf n HIS 217 Cb 0.44 0.80 -0.10 0.00 0.12 0.00 0.00 29.99 31.25 2duf n HIS 217 CO 0.00 0.00 0.00 1.41 -2.81 0.00 0.00 176.34 174.94 2duf s MET 218 N -2.36 0.44 -0.20 -1.40 1.75 -0.38 -4.97 119.30 112.18 2duf s MET 218 Ca 0.21 0.80 -0.08 0.00 -1.25 0.00 0.00 55.69 55.37 2duf s MET 218 Cb -0.04 0.04 -0.04 0.00 2.84 0.00 0.00 34.83 37.63 2duf s MET 218 CO 0.15 -0.14 0.09 0.08 -0.65 0.00 0.00 175.02 174.56 2duf s VAL 219 N 1.23 4.97 -0.05 10.11 1.01 -0.38 -0.22 120.40 137.07 2duf s VAL 219 Ca -0.08 0.04 0.02 0.00 0.00 0.00 0.00 61.98 61.96 2duf s VAL 219 Cb -0.07 -3.27 0.01 0.00 0.00 0.00 0.00 36.38 33.05 2duf s VAL 219 CO -0.11 0.43 -0.10 -0.22 0.00 0.00 0.00 175.10 175.09 2duf s LEU 220 N 0.59 1.63 -0.07 3.92 2.96 0.04 -0.65 118.68 127.10 2duf s LEU 220 Ca 0.05 -0.25 0.02 0.00 -0.22 0.00 0.00 54.13 53.73 2duf s LEU 220 Cb -0.13 -0.71 0.02 0.00 0.50 0.00 0.00 46.19 45.87 2duf s LEU 220 CO 0.01 0.03 -0.11 -0.22 -1.32 0.00 0.00 176.35 174.74 2duf s LEU 221 N 0.58 1.56 0.09 -0.68 0.20 -0.50 -0.97 118.68 118.97 2duf s LEU 221 Ca -0.11 -0.29 0.02 0.00 0.69 0.00 0.00 54.13 54.43 2duf s LEU 221 Cb -0.14 -0.82 -0.04 0.00 -0.43 0.00 0.00 46.19 44.77 2duf s LEU 221 CO 0.02 0.00 -0.07 -1.61 -0.29 0.00 0.00 176.35 174.40 2duf s GLU 222 N 0.85 0.77 -0.05 1.98 2.02 -0.38 -0.39 118.70 123.49 2duf s GLU 222 Ca -0.11 -1.18 0.01 0.00 0.02 0.00 0.00 54.97 53.72 2duf s GLU 222 Cb -0.15 -0.28 0.02 0.00 0.10 0.00 0.00 34.13 33.82 2duf s GLU 222 CO 0.02 0.01 -0.07 -0.06 0.02 0.00 0.00 175.26 175.18 2duf s PHE 223 N -2.93 0.91 -0.02 1.61 0.08 -0.80 -1.38 117.98 115.45 2duf s PHE 223 Ca 0.06 -0.28 0.01 0.00 0.12 0.00 0.00 56.93 56.84 2duf s PHE 223 Cb 0.01 -0.74 0.01 0.00 -0.57 0.00 0.00 43.02 41.72 2duf s PHE 223 CO -0.03 -0.20 -0.03 0.08 -0.10 0.00 0.00 175.22 174.94 2duf s VAL 224 N 0.77 0.36 -0.01 -0.44 1.01 0.10 -1.77 120.40 120.42 2duf s VAL 224 Ca -0.12 -0.10 0.03 0.00 0.00 0.00 0.00 61.98 61.80 2duf s VAL 224 Cb -0.14 -0.37 -0.01 0.00 0.00 0.00 0.00 36.38 35.87 2duf s VAL 224 CO 0.01 0.15 -0.11 -0.89 0.00 0.00 0.00 175.10 174.26 2duf s THR 225 N 0.47 0.87 0.32 3.92 2.01 -0.64 -0.88 115.64 121.72 2duf s THR 225 Ca -0.05 -0.46 -0.12 0.00 0.31 0.00 0.00 61.69 61.37 2duf s THR 225 Cb -0.09 -0.73 -0.07 0.00 0.01 0.00 0.00 72.50 71.62 2duf s THR 225 CO -0.01 0.25 0.69 0.00 -0.69 0.00 0.00 174.62 174.86 2duf s ALA 226 N -0.19 3.41 0.03 7.40 0.00 -0.30 -0.42 121.76 131.68 2duf s ALA 226 Ca 0.03 -0.15 -0.01 0.00 0.00 0.00 0.00 51.96 51.82 2duf s ALA 226 Cb -0.05 -2.63 0.01 0.00 0.00 0.00 0.00 23.12 20.44 2duf s ALA 226 CO -0.00 0.27 0.07 0.00 0.00 0.00 0.00 175.76 176.10 2duf n ALA 227 N -0.63 -0.18 -0.10 0.00 0.00 -0.01 -4.58 120.51 115.02 2duf n ALA 227 Ca 0.02 -0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.36 2duf n ALA 227 Cb 0.53 0.08 0.00 0.00 0.00 0.00 0.00 19.45 20.06 2duf n ALA 227 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2duf n GLY 228 N -0.05 0.95 0.00 0.00 0.00 -1.26 -1.38 105.19 103.45 2duf n GLY 228 Ca -0.01 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 45.99 2duf n GLY 228 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71