#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dpx h PRO -1 N 0.00 0.06 0.31 -0.67 0.11 -2.07 0.04 132.00 129.78 3dpx h PRO -1 Ca 0.00 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.10 3dpx h PRO -1 Cb 0.00 -0.01 -0.02 0.00 0.11 0.00 0.00 31.00 31.08 3dpx h PRO -1 CO 0.00 0.12 -0.32 1.98 -0.21 0.00 0.00 178.00 179.57 3dpx h MET 0 N 0.06 -0.64 0.00 1.05 1.85 -2.03 -3.17 114.93 112.04 3dpx h MET 0 Ca 0.01 0.04 0.00 0.00 -0.61 0.00 0.00 59.70 59.15 3dpx h MET 0 Cb 0.14 0.15 0.00 0.00 0.43 0.00 0.00 31.60 32.32 3dpx h MET 0 CO 0.01 -0.43 0.00 0.28 -0.40 0.00 0.00 176.91 176.37 3dpx h VAL 1 N -0.67 0.00 0.09 -5.77 2.07 -1.67 -3.24 116.25 107.06 3dpx h VAL 1 Ca -0.01 -0.35 -0.26 0.00 0.82 0.00 0.00 66.70 66.90 3dpx h VAL 1 Cb 0.61 1.31 -0.00 0.00 -1.52 0.00 0.00 31.29 31.69 3dpx h VAL 1 CO -0.07 0.00 -1.18 -1.28 0.02 0.00 0.00 177.57 175.06 3dpx h SER 2 N 0.00 0.31 0.18 0.57 0.87 -1.01 -3.17 113.55 111.30 3dpx h SER 2 Ca 0.00 -0.33 0.01 0.00 -1.23 0.00 0.00 61.79 60.24 3dpx h SER 2 Cb 0.36 -0.10 -0.03 0.00 -0.44 0.00 0.00 62.40 62.19 3dpx h SER 2 CO 0.00 1.26 -0.30 0.50 -0.53 0.00 0.00 176.83 177.76 3dpx h LYS 3 N 0.06 -0.54 -0.10 2.24 3.64 -1.58 0.49 116.57 120.78 3dpx h LYS 3 Ca -0.10 0.04 -0.20 0.00 -1.27 0.00 0.00 60.65 59.12 3dpx h LYS 3 Cb 1.91 0.12 0.00 0.00 -0.41 0.00 0.00 32.23 33.86 3dpx h LYS 3 CO 0.18 -0.36 -0.75 0.78 -2.27 0.00 0.00 179.45 177.03 3dpx h GLY 4 N -0.56 0.60 0.63 5.01 0.00 -1.74 -3.17 103.07 103.85 3dpx h GLY 4 Ca 0.01 -0.85 0.07 0.00 0.00 0.00 0.00 47.33 46.56 3dpx h GLY 4 CO -0.13 0.76 0.35 -2.09 0.00 0.00 0.00 176.54 175.42 3dpx h GLU 5 N 0.37 0.62 -0.23 4.80 4.81 -1.49 -2.32 114.58 121.14 3dpx h GLU 5 Ca -0.04 -0.04 0.04 0.00 -0.13 0.00 0.00 59.36 59.19 3dpx h GLU 5 Cb 1.35 -0.14 -0.01 0.00 0.63 0.00 0.00 28.75 30.58 3dpx h GLU 5 CO 0.14 0.41 0.16 0.93 -0.73 0.00 0.00 179.01 179.92 3dpx h GLU 6 N 0.64 0.13 0.00 1.92 5.08 -0.87 -1.70 114.58 119.78 3dpx h GLU 6 Ca 0.30 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.65 3dpx h GLU 6 Cb 0.22 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.44 3dpx h GLU 6 CO -0.20 0.09 0.00 -0.07 -1.00 0.00 0.00 179.01 177.83 3dpx h LEU 7 N 0.14 0.00 -2.70 1.33 3.38 -1.45 -3.28 115.31 112.72 3dpx h LEU 7 Ca 0.10 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.07 3dpx h LEU 7 Cb 0.23 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.98 3dpx h LEU 7 CO -0.01 0.00 0.00 0.49 0.09 0.00 0.00 178.44 179.01 3dpx n PHE 8 N -2.40 0.28 0.35 1.13 3.01 -0.65 -4.74 117.46 114.44 3dpx n PHE 8 Ca 0.02 -0.43 0.12 0.00 1.01 0.00 0.00 57.45 58.16 3dpx n PHE 8 Cb 0.25 -0.03 0.52 0.00 -0.01 0.00 0.00 39.48 40.21 3dpx n PHE 8 CO 0.00 0.00 0.00 0.25 1.01 0.00 0.00 176.76 178.02 3dpx n THR 9 N 0.25 0.85 -3.97 4.37 -2.24 -1.19 -4.15 114.28 108.21 3dpx n THR 9 Ca 0.08 0.32 0.00 0.00 -2.27 0.00 0.00 64.05 62.18 3dpx n THR 9 Cb 0.35 -1.27 0.00 0.00 -2.10 0.00 0.00 70.33 67.31 3dpx n THR 9 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3dpx n GLY 10 N -0.23 4.24 3.70 3.38 0.00 -1.26 -4.79 105.19 110.22 3dpx n GLY 10 Ca 0.01 -2.06 -0.42 0.00 0.00 0.00 0.00 46.02 43.55 3dpx n GLY 10 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3dpx s VAL 11 N -1.21 4.62 -0.15 1.61 1.01 -1.26 -4.42 120.40 120.60 3dpx s VAL 11 Ca 0.00 1.90 -0.01 0.00 0.00 0.00 0.00 61.98 63.87 3dpx s VAL 11 Cb 0.00 -4.22 -0.01 0.00 0.00 0.00 0.00 36.38 32.15 3dpx s VAL 11 CO 0.00 0.06 -0.11 -0.69 0.00 0.00 0.00 175.10 174.36 3dpx s VAL 12 N 1.66 3.07 0.45 2.92 1.01 0.16 -4.94 120.40 124.73 3dpx s VAL 12 Ca 0.52 -0.64 -0.23 0.00 0.00 0.00 0.00 61.98 61.63 3dpx s VAL 12 Cb -0.21 -2.32 -0.07 0.00 0.00 0.00 0.00 36.38 33.77 3dpx s VAL 12 CO 0.23 0.50 1.19 -2.84 0.00 0.00 0.00 175.10 174.18 3dpx s PRO 13 N 0.66 3.79 -0.03 2.72 0.02 -1.26 -0.49 135.00 140.40 3dpx s PRO 13 Ca -0.06 1.85 0.05 0.00 0.02 0.00 0.00 61.00 62.86 3dpx s PRO 13 Cb -0.15 -2.48 -0.01 0.00 0.02 0.00 0.00 34.50 31.88 3dpx s PRO 13 CO 0.02 -0.55 -0.18 0.42 -0.33 0.00 0.00 177.00 176.39 3dpx s ILE 14 N -1.48 1.45 -0.05 2.83 1.01 -0.07 -0.88 121.20 124.00 3dpx s ILE 14 Ca 0.62 -0.75 0.04 0.00 0.00 0.00 0.00 60.65 60.56 3dpx s ILE 14 Cb -0.31 -1.22 0.00 0.00 0.01 0.00 0.00 42.46 40.94 3dpx s ILE 14 CO 0.38 0.41 -0.16 -0.22 0.00 0.00 0.00 174.94 175.34 3dpx s LEU 15 N -0.17 1.88 -0.04 2.97 2.96 -0.29 -1.93 118.68 124.05 3dpx s LEU 15 Ca 0.01 -0.35 0.05 0.00 -0.22 0.00 0.00 54.13 53.61 3dpx s LEU 15 Cb -0.10 -0.96 -0.01 0.00 0.50 0.00 0.00 46.19 45.63 3dpx s LEU 15 CO 0.01 0.13 -0.18 -0.69 -1.32 0.00 0.00 176.35 174.30 3dpx s VAL 16 N 0.17 1.50 -0.03 1.68 1.01 0.21 -1.38 120.40 123.56 3dpx s VAL 16 Ca -0.07 -0.77 0.02 0.00 0.00 0.00 0.00 61.98 61.17 3dpx s VAL 16 Cb -0.13 -1.28 0.01 0.00 0.00 0.00 0.00 36.38 34.98 3dpx s VAL 16 CO 0.03 0.43 -0.09 -1.61 0.00 0.00 0.00 175.10 173.86 3dpx s GLU 17 N -0.06 1.06 -0.06 2.72 0.41 -0.44 -0.41 118.70 121.92 3dpx s GLU 17 Ca -0.02 -0.29 0.01 0.00 -0.41 0.00 0.00 54.97 54.25 3dpx s GLU 17 Cb -0.11 -0.97 0.02 0.00 -1.78 0.00 0.00 34.13 31.29 3dpx s GLU 17 CO 0.02 0.07 -0.05 -1.17 -0.49 0.00 0.00 175.26 173.64 3dpx s LEU 18 N 0.37 1.27 -0.18 1.80 0.20 0.34 0.24 118.68 122.71 3dpx s LEU 18 Ca -0.06 -0.17 -0.03 0.00 0.69 0.00 0.00 54.13 54.56 3dpx s LEU 18 Cb -0.11 -0.55 -0.02 0.00 -0.43 0.00 0.00 46.19 45.09 3dpx s LEU 18 CO 0.01 -0.06 -0.05 -1.81 -0.29 0.00 0.00 176.35 174.14 3dpx s ASP 19 N 1.09 4.51 0.11 3.68 1.01 -0.69 -1.05 116.67 125.33 3dpx s ASP 19 Ca -0.08 -0.26 0.06 0.00 0.71 0.00 0.00 52.55 52.99 3dpx s ASP 19 Cb -0.14 -1.74 -0.04 0.00 1.01 0.00 0.00 42.92 42.01 3dpx s ASP 19 CO -0.01 0.10 -0.15 -0.83 0.21 0.00 0.00 175.17 174.48 3dpx s GLY 20 N 0.80 1.09 -0.13 0.21 0.00 0.48 -0.93 107.32 108.83 3dpx s GLY 20 Ca -0.02 -1.25 -0.06 0.00 0.00 0.00 0.00 44.72 43.39 3dpx s GLY 20 CO 0.02 -1.30 0.29 -0.35 0.00 0.00 0.00 173.10 171.76 3dpx s ASP 21 N -2.29 -0.19 -0.16 1.64 -1.08 -0.69 -1.48 116.67 112.43 3dpx s ASP 21 Ca 0.07 0.64 0.00 0.00 -0.52 0.00 0.00 52.55 52.75 3dpx s ASP 21 Cb -0.06 0.60 0.03 0.00 -1.46 0.00 0.00 42.92 42.02 3dpx s ASP 21 CO 0.03 -0.19 -0.10 -0.69 0.52 0.00 0.00 175.17 174.74 3dpx s VAL 22 N 1.61 1.42 -1.65 1.11 1.01 -0.59 -0.46 120.40 122.85 3dpx s VAL 22 Ca -0.07 -0.71 -0.15 0.00 0.00 0.00 0.00 61.98 61.05 3dpx s VAL 22 Cb -0.10 -1.46 0.13 0.00 0.00 0.00 0.00 36.38 34.95 3dpx s VAL 22 CO -0.10 0.28 0.75 0.59 0.00 0.00 0.00 175.10 176.62 3dpx n ASN 23 N 4.79 -2.98 0.00 3.32 4.13 -0.21 -1.16 115.26 123.15 3dpx n ASN 23 Ca -0.15 -0.99 0.00 0.00 1.68 0.00 0.00 54.58 55.12 3dpx n ASN 23 Cb 0.48 -2.89 0.00 0.00 -1.54 0.00 0.00 39.78 35.83 3dpx n ASN 23 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3dpx n GLY 24 N -1.52 1.05 3.55 7.41 0.00 -1.26 -4.99 105.19 109.43 3dpx n GLY 24 Ca 0.01 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.61 3dpx n GLY 24 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3dpx s HIS 25 N -3.49 2.64 0.11 1.61 3.76 -0.31 -5.03 115.29 114.59 3dpx s HIS 25 Ca 0.00 0.16 -0.25 0.00 -0.15 0.00 0.00 55.06 54.82 3dpx s HIS 25 Cb 0.00 -4.36 -0.07 0.00 1.11 0.00 0.00 32.58 29.27 3dpx s HIS 25 CO 0.00 -1.56 0.77 0.15 -0.85 0.00 0.00 174.74 173.25 3dpx s LYS 26 N 4.63 4.53 0.06 1.40 1.02 -1.26 -1.54 119.74 128.57 3dpx s LYS 26 Ca 0.36 1.11 -0.19 0.00 0.02 0.00 0.00 55.97 57.28 3dpx s LYS 26 Cb -0.10 -3.31 0.04 0.00 -0.52 0.00 0.00 37.83 33.95 3dpx s LYS 26 CO 0.21 0.45 0.44 -0.59 -0.92 0.00 0.00 175.35 174.94 3dpx s PHE 27 N -0.67 -0.30 0.07 3.18 -0.71 -0.55 -5.00 117.98 114.00 3dpx s PHE 27 Ca 0.37 0.24 0.05 0.00 -1.04 0.00 0.00 56.93 56.55 3dpx s PHE 27 Cb -0.22 0.27 -0.03 0.00 -1.21 0.00 0.00 43.02 41.83 3dpx s PHE 27 CO 0.25 -0.62 -0.15 -1.12 -1.34 0.00 0.00 175.22 172.24 3dpx s SER 28 N -2.14 1.79 -0.01 1.98 0.01 -1.26 -0.39 113.70 113.68 3dpx s SER 28 Ca -0.04 -0.59 0.01 0.00 1.31 0.00 0.00 55.95 56.64 3dpx s SER 28 Cb -0.00 -0.07 0.00 0.00 0.21 0.00 0.00 66.02 66.16 3dpx s SER 28 CO -0.04 -0.04 -0.03 -0.69 0.41 0.00 0.00 173.24 172.86 3dpx s VAL 29 N -1.17 0.24 0.05 3.43 1.01 -0.22 -1.27 120.40 122.47 3dpx s VAL 29 Ca -0.00 -0.10 0.09 0.00 0.00 0.00 0.00 61.98 61.97 3dpx s VAL 29 Cb -0.10 -0.23 -0.03 0.00 0.00 0.00 0.00 36.38 36.02 3dpx s VAL 29 CO 0.02 0.08 -0.24 -0.44 0.00 0.00 0.00 175.10 174.53 3dpx s SER 30 N 0.12 3.38 0.05 3.32 0.01 -0.61 -0.51 113.70 119.47 3dpx s SER 30 Ca -0.01 -0.55 -0.00 0.00 1.31 0.00 0.00 55.95 56.70 3dpx s SER 30 Cb -0.03 -0.39 -0.04 0.00 0.21 0.00 0.00 66.02 65.77 3dpx s SER 30 CO -0.00 0.25 -0.04 -0.83 0.41 0.00 0.00 173.24 173.03 3dpx s GLY 31 N -1.37 0.49 0.04 3.44 0.00 0.45 -0.46 107.32 109.91 3dpx s GLY 31 Ca 0.13 -1.10 -0.21 0.00 0.00 0.00 0.00 44.72 43.54 3dpx s GLY 31 CO 0.03 -1.20 0.47 -0.54 0.00 0.00 0.00 173.10 171.86 3dpx s GLU 32 N -3.33 0.97 0.00 2.90 2.02 -0.19 -0.62 118.70 120.45 3dpx s GLU 32 Ca 0.03 -0.26 0.00 0.00 0.02 0.00 0.00 54.97 54.76 3dpx s GLU 32 Cb 0.03 0.44 0.00 0.00 0.10 0.00 0.00 34.13 34.70 3dpx s GLU 32 CO -0.07 -0.34 0.00 0.41 0.02 0.00 0.00 175.26 175.29 3dpx n GLY 33 N 0.52 -0.74 3.26 -1.39 0.00 -0.81 -1.20 105.19 104.82 3dpx n GLY 33 Ca -0.19 -0.34 -0.10 0.00 0.00 0.00 0.00 46.02 45.39 3dpx n GLY 33 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3dpx s GLU 34 N -0.81 0.93 0.03 1.61 -1.05 -0.54 -0.89 118.70 117.97 3dpx s GLU 34 Ca 0.00 -0.78 0.05 0.00 -0.15 0.00 0.00 54.97 54.09 3dpx s GLU 34 Cb 0.00 0.39 -0.02 0.00 -0.44 0.00 0.00 34.13 34.07 3dpx s GLU 34 CO 0.00 -0.33 -0.14 0.20 0.95 0.00 0.00 175.26 175.95 3dpx s GLY 35 N -2.70 0.76 -0.45 -3.83 0.00 0.35 -1.60 107.32 99.85 3dpx s GLY 35 Ca 0.02 -0.77 0.03 0.00 0.00 0.00 0.00 44.72 44.00 3dpx s GLY 35 CO -0.10 -0.74 0.29 -0.35 0.00 0.00 0.00 173.10 172.21 3dpx s ASP 36 N -0.98 3.06 0.54 1.64 -1.08 0.58 -0.67 116.67 119.75 3dpx s ASP 36 Ca 0.02 -2.81 0.21 0.00 -0.52 0.00 0.00 52.55 49.45 3dpx s ASP 36 Cb -0.07 -0.81 1.44 0.00 -1.46 0.00 0.00 42.92 42.02 3dpx s ASP 36 CO 0.01 -0.23 2.17 0.00 0.52 0.00 0.00 175.17 177.65 3dpx h ALA 37 N 6.33 1.81 -0.49 3.66 0.00 -1.73 -1.40 119.26 127.43 3dpx h ALA 37 Ca 0.10 -0.01 0.06 0.00 0.00 0.00 0.00 54.91 55.06 3dpx h ALA 37 Cb 0.91 -0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.67 3dpx h ALA 37 CO 0.43 0.02 0.33 1.15 0.00 0.00 0.00 179.25 181.18 3dpx h THR 38 N 0.00 0.96 -0.20 0.00 2.02 -1.87 -2.14 112.91 111.69 3dpx h THR 38 Ca -0.00 -0.14 0.00 0.00 0.77 0.00 0.00 66.41 67.04 3dpx h THR 38 Cb 0.03 0.52 0.00 0.00 -1.74 0.00 0.00 68.15 66.96 3dpx h THR 38 CO 0.00 0.07 0.00 -1.22 0.37 0.00 0.00 175.52 174.75 3dpx n TYR 39 N -4.47 0.25 -2.84 3.16 4.01 -0.66 -4.92 117.16 111.68 3dpx n TYR 39 Ca 0.07 -0.22 -0.19 0.00 -0.16 0.00 0.00 57.90 57.40 3dpx n TYR 39 Cb 0.26 -0.01 0.03 0.00 -0.31 0.00 0.00 39.34 39.31 3dpx n TYR 39 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3dpx n GLY 40 N 0.75 -0.34 3.52 2.72 0.00 -0.62 -4.74 105.19 106.49 3dpx n GLY 40 Ca 0.11 -0.02 -0.34 0.00 0.00 0.00 0.00 46.02 45.77 3dpx n GLY 40 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3dpx s LYS 41 N -5.45 3.13 0.03 1.61 2.20 -0.69 -0.71 119.74 119.86 3dpx s LYS 41 Ca 0.23 -0.56 0.03 0.00 -0.36 0.00 0.00 55.97 55.31 3dpx s LYS 41 Cb -0.10 -2.70 -0.02 0.00 -1.51 0.00 0.00 37.83 33.50 3dpx s LYS 41 CO 0.29 0.46 -0.10 -0.51 -0.36 0.00 0.00 175.35 175.13 3dpx s LEU 42 N -0.27 2.16 -0.12 5.43 1.02 -0.53 -0.31 118.68 126.06 3dpx s LEU 42 Ca 0.04 -0.40 -0.01 0.00 0.02 0.00 0.00 54.13 53.77 3dpx s LEU 42 Cb -0.13 -0.37 0.03 0.00 0.02 0.00 0.00 46.19 45.75 3dpx s LEU 42 CO 0.03 -0.04 -0.03 -0.89 0.02 0.00 0.00 176.35 175.44 3dpx s THR 43 N -0.86 0.72 0.01 5.49 2.01 -0.63 -1.31 115.64 121.08 3dpx s THR 43 Ca -0.02 -0.23 -0.00 0.00 0.31 0.00 0.00 61.69 61.74 3dpx s THR 43 Cb -0.07 -0.89 -0.01 0.00 0.01 0.00 0.00 72.50 71.54 3dpx s THR 43 CO 0.01 0.20 -0.01 -0.76 -0.69 0.00 0.00 174.62 173.37 3dpx s LEU 44 N 1.82 2.08 -0.05 4.42 1.43 0.22 -1.47 118.68 127.13 3dpx s LEU 44 Ca 0.03 -0.23 0.03 0.00 -1.03 0.00 0.00 54.13 52.94 3dpx s LEU 44 Cb -0.14 0.08 0.01 0.00 0.03 0.00 0.00 46.19 46.17 3dpx s LEU 44 CO -0.07 -0.15 -0.14 -0.75 0.23 0.00 0.00 176.35 175.47 3dpx s LYS 45 N -0.71 1.62 -0.03 1.70 2.20 -0.34 -0.39 119.74 123.79 3dpx s LYS 45 Ca -0.08 -0.47 0.06 0.00 -0.36 0.00 0.00 55.97 55.12 3dpx s LYS 45 Cb -0.05 -1.38 -0.02 0.00 -1.51 0.00 0.00 37.83 34.87 3dpx s LYS 45 CO -0.00 0.12 -0.21 -0.06 -0.36 0.00 0.00 175.35 174.84 3dpx s PHE 46 N 0.35 2.49 -0.05 4.03 0.08 0.69 -1.02 117.98 124.56 3dpx s PHE 46 Ca -0.09 -0.34 0.04 0.00 0.12 0.00 0.00 56.93 56.67 3dpx s PHE 46 Cb -0.13 -1.56 -0.00 0.00 -0.57 0.00 0.00 43.02 40.76 3dpx s PHE 46 CO 0.03 0.05 -0.18 0.42 -0.10 0.00 0.00 175.22 175.44 3dpx s ILE 47 N -0.64 1.47 -0.27 0.64 1.01 0.39 -0.93 121.20 122.87 3dpx s ILE 47 Ca 0.10 -0.73 -0.28 0.00 0.00 0.00 0.00 60.65 59.74 3dpx s ILE 47 Cb -0.10 -1.26 0.01 0.00 0.01 0.00 0.00 42.46 41.11 3dpx s ILE 47 CO -0.00 0.42 0.99 0.00 0.00 0.00 0.00 174.94 176.35 3dpx n THR 49 N 5.50 0.00 -0.14 0.00 -2.24 -0.40 -3.84 114.28 113.16 3dpx n THR 49 Ca 0.10 -0.34 0.06 0.00 -2.27 0.00 0.00 64.05 61.60 3dpx n THR 49 Cb 0.47 0.95 0.16 0.00 -2.10 0.00 0.00 70.33 69.81 3dpx n THR 49 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 3dpx n THR 50 N 0.53 0.93 0.00 4.28 -2.24 -1.26 -4.98 114.28 111.54 3dpx n THR 50 Ca 0.15 -0.96 0.00 0.00 -2.27 0.00 0.00 64.05 60.97 3dpx n THR 50 Cb 0.46 0.56 0.00 0.00 -2.10 0.00 0.00 70.33 69.25 3dpx n THR 50 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3dpx n GLY 51 N 0.62 0.19 3.72 3.38 0.00 -1.25 -4.99 105.19 106.85 3dpx n GLY 51 Ca 0.12 -1.65 -0.42 0.00 0.00 0.00 0.00 46.02 44.08 3dpx n GLY 51 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3dpx s LYS 52 N 0.00 4.40 0.05 1.61 2.20 -1.26 -4.44 119.74 122.30 3dpx s LYS 52 Ca 0.00 1.89 -0.31 0.00 -0.36 0.00 0.00 55.97 57.19 3dpx s LYS 52 Cb 0.00 -3.29 -0.07 0.00 -1.51 0.00 0.00 37.83 32.96 3dpx s LYS 52 CO 0.00 -0.29 1.39 -1.17 -0.36 0.00 0.00 175.35 174.92 3dpx s LEU 53 N 0.84 4.34 0.00 5.43 2.96 -1.26 -4.89 118.68 126.11 3dpx s LEU 53 Ca 0.60 2.20 0.21 0.00 -0.22 0.00 0.00 54.13 56.91 3dpx s LEU 53 Cb -0.32 -3.57 1.23 0.00 0.50 0.00 0.00 46.19 44.03 3dpx s LEU 53 CO 0.31 -0.68 1.75 -0.81 -1.32 0.00 0.00 176.35 175.60 3dpx n PRO 54 N 4.72 0.93 -4.19 0.98 -0.04 -1.26 -4.79 135.00 131.36 3dpx n PRO 54 Ca 0.12 0.00 -0.11 0.00 -0.04 0.00 0.00 63.50 63.47 3dpx n PRO 54 Cb 0.43 -1.35 -0.10 0.00 -0.04 0.00 0.00 33.50 32.44 3dpx n PRO 54 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 3dpx s VAL 55 N -2.00 0.48 0.16 0.52 -7.23 -1.26 -4.45 120.40 106.62 3dpx s VAL 55 Ca 0.31 -1.94 -0.31 0.00 -1.81 0.00 0.00 61.98 58.24 3dpx s VAL 55 Cb 0.14 -1.97 -0.09 0.00 0.56 0.00 0.00 36.38 35.03 3dpx s VAL 55 CO 0.24 -0.59 1.39 -2.84 -0.31 0.00 0.00 175.10 172.98 3dpx s PRO 56 N -3.94 4.33 0.28 4.82 0.02 -1.25 -4.93 135.00 134.32 3dpx s PRO 56 Ca 0.20 2.12 -0.07 0.00 0.02 0.00 0.00 61.00 63.27 3dpx s PRO 56 Cb 0.06 -3.21 0.50 0.00 0.02 0.00 0.00 34.50 31.87 3dpx s PRO 56 CO 0.00 -0.39 1.57 -1.49 -0.33 0.00 0.00 177.00 176.36 3dpx h TRP 57 N 6.16 -0.41 -0.35 6.54 4.06 -1.97 -1.03 115.95 128.95 3dpx h TRP 57 Ca -0.43 0.08 0.10 0.00 2.06 0.00 0.00 58.89 60.70 3dpx h TRP 57 Cb 1.21 0.33 -0.01 0.00 -1.00 0.00 0.00 29.16 29.69 3dpx h TRP 57 CO 0.64 -0.41 0.30 -1.35 -3.56 0.00 0.00 178.44 174.06 3dpx h PRO 58 N 0.00 0.00 0.00 0.49 0.11 -1.89 -1.38 132.00 129.34 3dpx h PRO 58 Ca 0.49 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.60 3dpx h PRO 58 Cb 0.80 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.91 3dpx h PRO 58 CO -0.97 0.00 0.00 1.79 -0.21 0.00 0.00 178.00 178.61 3dpx h THR 59 N 0.00 0.00 -0.01 -1.15 1.35 -1.56 -2.88 112.91 108.66 3dpx h THR 59 Ca 0.16 -0.43 0.00 0.00 -0.55 0.00 0.00 66.41 65.59 3dpx h THR 59 Cb 0.77 1.31 0.00 0.00 -1.73 0.00 0.00 68.15 68.50 3dpx h THR 59 CO -0.00 0.00 -0.60 0.18 -0.25 0.00 0.00 175.52 174.85 3dpx n LEU 60 N -2.61 1.68 -0.22 3.87 4.77 -0.52 -4.63 117.00 119.33 3dpx n LEU 60 Ca 0.02 -0.65 0.02 0.00 -0.03 0.00 0.00 56.01 55.38 3dpx n LEU 60 Cb 0.31 -0.01 0.14 0.00 -2.33 0.00 0.00 43.42 41.52 3dpx n LEU 60 CO 0.25 0.33 0.94 0.58 -1.33 0.00 0.00 177.39 178.17 3dpx h VAL 61 N 1.70 0.63 0.00 4.08 2.07 -1.48 -0.09 116.25 123.16 3dpx h VAL 61 Ca 0.00 -0.11 -0.07 0.00 0.82 0.00 0.00 66.70 67.35 3dpx h VAL 61 Cb 0.67 0.30 -0.01 0.00 -1.52 0.00 0.00 31.29 30.73 3dpx h VAL 61 CO 0.00 0.06 -0.32 0.71 0.02 0.00 0.00 177.57 178.03 3dpx h THR 62 N 0.31 0.93 -0.07 2.57 1.35 -1.82 -2.86 112.91 113.32 3dpx h THR 62 Ca 0.35 -1.25 -0.15 0.00 -0.55 0.00 0.00 66.41 64.81 3dpx h THR 62 Cb 0.53 1.74 0.01 0.00 -1.73 0.00 0.00 68.15 68.70 3dpx h THR 62 CO -0.41 0.32 -0.55 0.74 -0.25 0.00 0.00 175.52 175.36 3dpx h THR 63 N 0.00 1.38 0.00 6.82 2.02 -1.56 -3.45 112.91 118.12 3dpx h THR 63 Ca -0.00 -1.91 -0.10 0.00 0.77 0.00 0.00 66.41 65.17 3dpx h THR 63 Cb 0.71 2.31 -0.03 0.00 -1.74 0.00 0.00 68.15 69.41 3dpx h THR 63 CO 0.04 0.57 0.31 0.49 0.37 0.00 0.00 175.52 177.30 3dpx n PHE 64 N -4.21 0.08 0.00 3.16 3.72 -0.16 -5.06 117.46 115.00 3dpx n PHE 64 Ca -0.09 -0.70 0.00 0.00 -0.05 0.00 0.00 57.45 56.61 3dpx n PHE 64 Cb 0.63 -0.94 0.00 0.00 -0.94 0.00 0.00 39.48 38.23 3dpx n PHE 64 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 176.76 177.99 3dpx n LEU 68 N 2.93 0.00 0.32 4.37 4.77 -1.26 -5.04 117.00 123.09 3dpx n LEU 68 Ca 0.19 0.00 0.19 0.00 -0.03 0.00 0.00 56.01 56.36 3dpx n LEU 68 Cb 0.36 0.00 1.01 0.00 -2.33 0.00 0.00 43.42 42.46 3dpx n LEU 68 CO 0.23 0.00 1.13 0.24 -1.33 0.00 0.00 177.39 177.66 3dpx h MET 69 N 0.00 0.00 0.00 3.23 2.86 -2.00 -0.98 114.93 118.04 3dpx h MET 69 Ca 0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 3dpx h MET 69 Cb 0.00 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.66 3dpx h MET 69 CO 0.00 0.00 0.00 0.00 1.06 0.00 0.00 176.91 177.97 3dpx n PHE 71 N -2.16 0.23 -1.72 0.00 3.72 -0.37 -4.71 117.46 112.44 3dpx n PHE 71 Ca -0.00 -0.11 -0.42 0.00 -0.05 0.00 0.00 57.45 56.87 3dpx n PHE 71 Cb 0.10 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.64 3dpx n PHE 71 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3dpx n ALA 72 N 0.50 1.60 -2.63 4.37 0.00 -0.80 -4.18 120.51 119.38 3dpx n ALA 72 Ca 0.17 0.33 -0.43 0.00 0.00 0.00 0.00 53.44 53.50 3dpx n ALA 72 Cb 0.38 -2.31 -0.02 0.00 0.00 0.00 0.00 19.45 17.50 3dpx n ALA 72 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 3dpx s ARG 73 N -2.04 4.00 -0.30 0.00 3.52 -0.37 -4.82 118.95 118.94 3dpx s ARG 73 Ca 0.56 0.96 -0.15 0.00 -0.13 0.00 0.00 55.73 56.98 3dpx s ARG 73 Cb -0.52 -3.77 -0.03 0.00 -1.56 0.00 0.00 34.95 29.07 3dpx s ARG 73 CO 0.61 -0.99 0.36 0.71 -0.81 0.00 0.00 175.30 175.19 3dpx s TYR 74 N 3.78 3.23 0.78 5.12 1.51 -1.26 -0.70 117.35 129.81 3dpx s TYR 74 Ca 0.45 0.25 -0.15 0.00 -1.01 0.00 0.00 57.07 56.61 3dpx s TYR 74 Cb -0.11 -2.60 -0.00 0.00 -0.11 0.00 0.00 41.96 39.13 3dpx s TYR 74 CO 0.18 -0.30 0.64 -2.30 -1.11 0.00 0.00 175.55 172.66 3dpx n PRO 75 N 5.35 0.20 -0.25 -1.71 -0.02 -1.26 -4.75 135.00 132.56 3dpx n PRO 75 Ca -0.09 0.12 0.07 0.00 -2.02 0.00 0.00 63.50 61.57 3dpx n PRO 75 Cb 0.50 -1.96 0.31 0.00 -0.02 0.00 0.00 33.50 32.34 3dpx n PRO 75 CO 0.00 0.00 0.00 0.22 1.98 0.00 0.00 175.50 177.70 3dpx h ASP 76 N -0.65 0.77 0.13 2.55 3.58 -2.00 0.45 116.42 121.25 3dpx h ASP 76 Ca -0.45 0.01 0.00 0.00 0.42 0.00 0.00 57.03 57.01 3dpx h ASP 76 Cb 1.33 -0.15 0.00 0.00 1.72 0.00 0.00 39.33 42.23 3dpx h ASP 76 CO 0.42 0.47 0.00 1.12 -2.88 0.00 0.00 179.24 178.37 3dpx h HIS 77 N 0.86 0.00 -0.09 0.28 2.07 -2.01 -2.72 115.15 113.53 3dpx h HIS 77 Ca 0.37 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.89 3dpx h HIS 77 Cb 0.33 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.31 3dpx h HIS 77 CO -0.00 0.00 0.00 -1.33 -3.07 0.00 0.00 177.93 173.53 3dpx n MET 78 N -2.39 2.65 0.28 5.12 2.81 0.11 -4.80 117.12 120.91 3dpx n MET 78 Ca -0.01 -1.92 0.12 0.00 -1.81 0.00 0.00 57.70 54.08 3dpx n MET 78 Cb 0.07 -1.22 0.79 0.00 -0.71 0.00 0.00 33.22 32.16 3dpx n MET 78 CO 0.00 0.00 0.00 0.87 1.51 0.00 0.00 175.97 178.35 3dpx h LYS 79 N 0.57 0.00 0.00 0.03 1.79 -1.13 -0.70 116.57 117.13 3dpx h LYS 79 Ca 0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 3dpx h LYS 79 Cb 0.71 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.36 3dpx h LYS 79 CO 0.02 0.00 0.00 1.04 -1.08 0.00 0.00 179.45 179.43 3dpx n GLN 80 N -4.16 0.44 -0.32 3.15 6.02 -1.26 -3.30 117.38 117.95 3dpx n GLN 80 Ca -0.03 0.06 0.10 0.00 -0.01 0.00 0.00 57.00 57.12 3dpx n GLN 80 Cb 0.10 -1.50 0.27 0.00 1.02 0.00 0.00 30.24 30.13 3dpx n GLN 80 CO 0.00 0.00 0.00 0.72 -1.01 0.00 0.00 177.06 176.77 3dpx n HIS 81 N -1.16 0.84 -3.22 1.08 8.25 -0.27 -4.70 115.22 116.05 3dpx n HIS 81 Ca 0.12 -0.51 -0.45 0.00 -0.26 0.00 0.00 57.72 56.62 3dpx n HIS 81 Cb 0.12 -0.02 -0.01 0.00 1.12 0.00 0.00 29.99 31.19 3dpx n HIS 81 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 3dpx s ASP 82 N -1.01 6.95 0.25 0.41 -1.08 -1.21 -4.66 116.67 116.33 3dpx s ASP 82 Ca 0.41 -2.90 -0.06 0.00 -0.52 0.00 0.00 52.55 49.48 3dpx s ASP 82 Cb 0.22 -2.27 0.26 0.00 -1.46 0.00 0.00 42.92 39.67 3dpx s ASP 82 CO 0.27 -0.59 1.88 0.15 0.52 0.00 0.00 175.17 177.40 3dpx h PHE 83 N 7.54 1.21 -0.25 -5.34 3.57 -1.90 -2.83 116.94 118.94 3dpx h PHE 83 Ca 0.17 -0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.65 3dpx h PHE 83 Cb 0.97 -0.39 -0.01 0.00 2.79 0.00 0.00 35.95 39.30 3dpx h PHE 83 CO 0.98 0.82 0.16 0.74 -2.23 0.00 0.00 178.31 178.78 3dpx h PHE 84 N 1.24 0.32 -0.00 0.41 0.04 -1.91 -1.57 116.94 115.47 3dpx h PHE 84 Ca 0.32 0.00 -0.16 0.00 2.80 0.00 0.00 57.97 60.93 3dpx h PHE 84 Cb -0.01 -0.11 -0.02 0.00 2.20 0.00 0.00 35.95 38.01 3dpx h PHE 84 CO 0.01 0.22 -0.78 0.87 -0.60 0.00 0.00 178.31 178.02 3dpx h LYS 85 N 0.33 0.01 -0.07 1.51 1.57 -1.84 -3.18 116.57 114.90 3dpx h LYS 85 Ca 0.09 -0.01 0.02 0.00 -1.87 0.00 0.00 60.65 58.88 3dpx h LYS 85 Cb -0.02 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.29 3dpx h LYS 85 CO -0.02 0.79 0.05 0.66 -0.57 0.00 0.00 179.45 180.36 3dpx h SER 86 N 0.00 0.00 1.36 0.86 4.64 -1.13 -0.96 113.55 118.32 3dpx h SER 86 Ca -0.01 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.31 3dpx h SER 86 Cb 1.38 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.47 3dpx h SER 86 CO 0.10 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 176.06 3dpx n ALA 87 N -2.49 2.27 -1.98 5.18 0.00 -0.65 -4.78 120.51 118.06 3dpx n ALA 87 Ca -0.01 -0.04 -0.31 0.00 0.00 0.00 0.00 53.44 53.08 3dpx n ALA 87 Cb 0.16 -1.47 -0.03 0.00 0.00 0.00 0.00 19.45 18.11 3dpx n ALA 87 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 3dpx s MET 88 N -3.09 3.83 0.00 0.00 1.00 -0.37 -1.01 119.30 119.67 3dpx s MET 88 Ca 0.11 0.73 0.28 0.00 0.00 0.00 0.00 55.69 56.80 3dpx s MET 88 Cb 0.14 -2.23 1.01 0.00 0.00 0.00 0.00 34.83 33.75 3dpx s MET 88 CO 0.58 -0.22 1.76 -0.35 0.00 0.00 0.00 175.02 176.78 3dpx n PRO 89 N -1.66 0.13 0.12 2.03 -0.04 -1.26 -4.45 135.00 129.87 3dpx n PRO 89 Ca 0.05 -0.04 0.04 0.00 -0.04 0.00 0.00 63.50 63.51 3dpx n PRO 89 Cb 0.54 -1.50 0.45 0.00 -0.04 0.00 0.00 33.50 32.95 3dpx n PRO 89 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 3dpx h GLU 90 N 0.10 0.26 0.00 0.54 3.07 -1.93 -2.69 114.58 113.93 3dpx h GLU 90 Ca 0.00 -0.04 0.00 0.00 -0.50 0.00 0.00 59.36 58.82 3dpx h GLU 90 Cb 0.47 -0.05 0.00 0.00 -0.84 0.00 0.00 28.75 28.33 3dpx h GLU 90 CO 0.00 0.29 0.00 0.41 -1.40 0.00 0.00 179.01 178.31 3dpx n GLY 91 N -1.16 -2.39 3.09 -3.84 0.00 -0.18 -4.66 105.19 96.05 3dpx n GLY 91 Ca -0.00 -2.09 -0.08 0.00 0.00 0.00 0.00 46.02 43.84 3dpx n GLY 91 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3dpx s TYR 92 N -0.32 0.33 -0.15 1.61 -0.85 -0.27 -0.72 117.35 116.98 3dpx s TYR 92 Ca 0.00 -0.74 -0.13 0.00 -0.52 0.00 0.00 57.07 55.68 3dpx s TYR 92 Cb 0.00 -0.24 -0.05 0.00 0.38 0.00 0.00 41.96 42.05 3dpx s TYR 92 CO 0.00 -0.36 0.28 0.08 -1.52 0.00 0.00 175.55 174.04 3dpx s VAL 93 N -3.02 5.30 -0.20 -3.49 1.01 0.08 -0.98 120.40 119.11 3dpx s VAL 93 Ca -0.01 0.53 -0.02 0.00 0.00 0.00 0.00 61.98 62.48 3dpx s VAL 93 Cb 0.01 -3.61 0.00 0.00 0.00 0.00 0.00 36.38 32.78 3dpx s VAL 93 CO -0.07 0.42 -0.11 -1.58 0.00 0.00 0.00 175.10 173.76 3dpx s GLN 94 N 0.25 3.23 -0.00 2.72 0.74 -0.17 -1.62 119.66 124.81 3dpx s GLN 94 Ca 0.16 -0.71 0.07 0.00 0.05 0.00 0.00 55.36 54.94 3dpx s GLN 94 Cb -0.13 -2.81 -0.02 0.00 1.10 0.00 0.00 33.01 31.16 3dpx s GLN 94 CO 0.04 -0.16 -0.22 -1.21 -0.55 0.00 0.00 175.29 173.19 3dpx s GLU 95 N 1.29 1.72 0.06 1.67 2.02 -0.27 -0.53 118.70 124.66 3dpx s GLU 95 Ca 0.04 -0.83 0.01 0.00 0.02 0.00 0.00 54.97 54.21 3dpx s GLU 95 Cb -0.14 -1.71 -0.03 0.00 0.10 0.00 0.00 34.13 32.35 3dpx s GLU 95 CO -0.06 0.46 -0.06 1.03 0.02 0.00 0.00 175.26 176.66 3dpx s ARG 96 N -0.66 0.62 -0.07 1.61 0.52 -0.61 -1.70 118.95 118.66 3dpx s ARG 96 Ca 0.09 -1.03 0.05 0.00 -0.52 0.00 0.00 55.73 54.32 3dpx s ARG 96 Cb -0.09 -0.11 -0.01 0.00 0.52 0.00 0.00 34.95 35.26 3dpx s ARG 96 CO -0.00 -0.02 -0.24 0.99 0.02 0.00 0.00 175.30 176.05 3dpx s THR 97 N -2.66 2.16 -0.18 0.02 2.01 -0.43 -1.15 115.64 115.40 3dpx s THR 97 Ca 0.00 -1.02 0.01 0.00 0.31 0.00 0.00 61.69 60.99 3dpx s THR 97 Cb -0.01 -1.80 0.03 0.00 0.01 0.00 0.00 72.50 70.73 3dpx s THR 97 CO -0.04 0.57 -0.13 -0.63 -0.69 0.00 0.00 174.62 173.70 3dpx s ILE 98 N -0.02 1.70 -0.28 1.82 1.01 0.36 -0.94 121.20 124.85 3dpx s ILE 98 Ca -0.07 -0.92 -0.11 0.00 0.00 0.00 0.00 60.65 59.54 3dpx s ILE 98 Cb -0.15 -1.69 -0.05 0.00 0.01 0.00 0.00 42.46 40.58 3dpx s ILE 98 CO 0.05 0.29 0.20 -0.36 0.00 0.00 0.00 174.94 175.12 3dpx s PHE 99 N 1.39 3.22 -0.28 3.97 0.08 -0.38 -0.76 117.98 125.23 3dpx s PHE 99 Ca 0.01 0.10 -0.23 0.00 0.12 0.00 0.00 56.93 56.93 3dpx s PHE 99 Cb -0.15 -2.39 -0.00 0.00 -0.57 0.00 0.00 43.02 39.90 3dpx s PHE 99 CO -0.09 -0.18 0.76 -0.06 -0.10 0.00 0.00 175.22 175.55 3dpx s PHE 100 N 1.76 3.24 -0.00 0.36 0.40 -0.38 -0.32 117.98 123.05 3dpx s PHE 100 Ca 0.07 0.87 -0.37 0.00 -0.60 0.00 0.00 56.93 56.90 3dpx s PHE 100 Cb -0.16 -3.11 -0.16 0.00 0.51 0.00 0.00 43.02 40.10 3dpx s PHE 100 CO 0.11 -0.48 1.48 1.17 0.70 0.00 0.00 175.22 178.19 3dpx n LYS 101 N 6.06 1.28 -2.35 0.44 3.00 -0.67 -0.90 118.16 125.02 3dpx n LYS 101 Ca 0.03 0.46 -0.21 0.00 -0.00 0.00 0.00 58.31 58.60 3dpx n LYS 101 Cb 0.48 -2.14 -0.01 0.00 0.00 0.00 0.00 35.03 33.36 3dpx n LYS 101 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 3dpx n ASP 102 N 3.44 -5.84 -0.15 3.14 8.00 -1.26 -4.81 116.55 119.07 3dpx n ASP 102 Ca 0.20 0.02 0.00 0.00 0.71 0.00 0.00 54.79 55.72 3dpx n ASP 102 Cb 0.19 -4.88 0.00 0.00 -0.02 0.00 0.00 41.12 36.41 3dpx n ASP 102 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 3dpx n ASP 103 N -1.97 0.00 -2.29 -2.24 -0.08 -0.08 -4.95 116.55 104.94 3dpx n ASP 103 Ca -0.24 -0.15 -0.03 0.00 -1.51 0.00 0.00 54.79 52.86 3dpx n ASP 103 Cb 0.69 0.00 0.02 0.00 2.34 0.00 0.00 41.12 44.17 3dpx n ASP 103 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 3dpx n GLY 104 N 0.00 -1.55 3.13 0.27 0.00 -1.20 -4.56 105.19 101.28 3dpx n GLY 104 Ca 0.00 -1.61 -0.15 0.00 0.00 0.00 0.00 46.02 44.26 3dpx n GLY 104 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3dpx s ASN 105 N -1.52 1.28 -0.01 1.61 2.20 -0.85 -1.25 114.94 116.40 3dpx s ASN 105 Ca 0.06 -0.64 -0.02 0.00 -0.94 0.00 0.00 52.86 51.32 3dpx s ASN 105 Cb -0.00 0.00 -0.04 0.00 -2.00 0.00 0.00 41.25 39.21 3dpx s ASN 105 CO 0.05 -0.18 0.17 -0.31 -2.94 0.00 0.00 177.10 173.89 3dpx s TYR 106 N -1.61 3.51 -0.12 1.54 2.02 0.06 -1.83 117.35 120.92 3dpx s TYR 106 Ca -0.03 0.34 0.01 0.00 -0.37 0.00 0.00 57.07 57.01 3dpx s TYR 106 Cb -0.08 -1.82 0.02 0.00 -0.40 0.00 0.00 41.96 39.68 3dpx s TYR 106 CO 0.01 0.64 -0.13 0.15 -1.57 0.00 0.00 175.55 174.65 3dpx s LYS 107 N -1.88 2.04 0.10 -0.62 1.02 0.60 -0.49 119.74 120.51 3dpx s LYS 107 Ca 0.26 -0.47 0.09 0.00 0.02 0.00 0.00 55.97 55.87 3dpx s LYS 107 Cb -0.12 -1.85 -0.04 0.00 -0.52 0.00 0.00 37.83 35.30 3dpx s LYS 107 CO 0.18 -0.16 -0.22 0.95 -0.92 0.00 0.00 175.35 175.17 3dpx s THR 108 N 1.30 1.85 -0.06 2.17 -4.23 -0.30 -0.76 115.64 115.62 3dpx s THR 108 Ca -0.00 -1.56 -0.02 0.00 -1.18 0.00 0.00 61.69 58.92 3dpx s THR 108 Cb -0.14 -1.66 0.03 0.00 1.34 0.00 0.00 72.50 72.07 3dpx s THR 108 CO -0.06 0.01 0.03 -0.60 -0.54 0.00 0.00 174.62 173.46 3dpx s ARG 109 N -1.87 0.29 0.07 3.99 3.52 -0.68 -1.58 118.95 122.69 3dpx s ARG 109 Ca 0.08 0.22 0.05 0.00 -0.13 0.00 0.00 55.73 55.96 3dpx s ARG 109 Cb -0.10 -0.79 -0.03 0.00 -1.56 0.00 0.00 34.95 32.47 3dpx s ARG 109 CO 0.04 -0.33 -0.15 0.00 -0.81 0.00 0.00 175.30 174.06 3dpx s ALA 110 N 2.06 1.25 -0.13 6.12 0.00 0.31 -1.28 121.76 130.09 3dpx s ALA 110 Ca 0.05 -1.01 0.01 0.00 0.00 0.00 0.00 51.96 51.01 3dpx s ALA 110 Cb -0.12 -0.13 -0.01 0.00 0.00 0.00 0.00 23.12 22.86 3dpx s ALA 110 CO -0.04 0.20 -0.16 -1.21 0.00 0.00 0.00 175.76 174.54 3dpx s GLU 111 N -1.68 3.27 -0.22 0.00 2.02 -0.35 -0.99 118.70 120.75 3dpx s GLU 111 Ca -0.01 -0.75 0.02 0.00 0.02 0.00 0.00 54.97 54.26 3dpx s GLU 111 Cb -0.10 -2.54 0.04 0.00 0.10 0.00 0.00 34.13 31.63 3dpx s GLU 111 CO 0.02 0.18 -0.14 0.08 0.02 0.00 0.00 175.26 175.42 3dpx s VAL 112 N 0.41 2.05 0.20 2.63 1.01 -0.15 -1.25 120.40 125.30 3dpx s VAL 112 Ca -0.12 -1.29 -0.23 0.00 0.00 0.00 0.00 61.98 60.34 3dpx s VAL 112 Cb -0.16 -2.04 0.05 0.00 0.00 0.00 0.00 36.38 34.22 3dpx s VAL 112 CO 0.06 0.20 0.71 -1.59 0.00 0.00 0.00 175.10 174.48 3dpx s LYS 113 N 1.21 1.47 0.23 2.72 -2.85 -0.55 -1.12 119.74 120.85 3dpx s LYS 113 Ca -0.03 -0.71 -0.30 0.00 -1.00 0.00 0.00 55.97 53.94 3dpx s LYS 113 Cb -0.17 0.57 -0.09 0.00 -2.06 0.00 0.00 37.83 36.08 3dpx s LYS 113 CO -0.08 -0.66 1.00 -0.06 0.10 0.00 0.00 175.35 175.64 3dpx s PHE 114 N -3.74 3.83 -0.41 1.78 0.08 -1.02 -0.83 117.98 117.68 3dpx s PHE 114 Ca 0.07 1.82 0.03 0.00 0.12 0.00 0.00 56.93 58.97 3dpx s PHE 114 Cb -0.03 -3.09 0.11 0.00 -0.57 0.00 0.00 43.02 39.44 3dpx s PHE 114 CO -0.02 0.08 0.14 -1.21 -0.10 0.00 0.00 175.22 174.11 3dpx s GLU 115 N -1.00 1.70 6.92 0.44 0.41 0.06 -4.93 118.70 122.30 3dpx s GLU 115 Ca 0.43 -2.14 0.00 0.00 -0.41 0.00 0.00 54.97 52.86 3dpx s GLU 115 Cb -0.27 -3.28 0.00 0.00 -1.78 0.00 0.00 34.13 28.79 3dpx s GLU 115 CO 0.34 -1.01 0.00 0.41 -0.49 0.00 0.00 175.26 174.51 3dpx n GLY 116 N 3.88 2.82 0.00 -1.39 0.00 -1.26 -2.21 105.19 107.04 3dpx n GLY 116 Ca 0.04 -0.30 0.14 0.00 0.00 0.00 0.00 46.02 45.90 3dpx n GLY 116 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3dpx n ASP 117 N 4.03 0.00 -4.79 1.61 8.00 -1.26 -4.84 116.55 119.30 3dpx n ASP 117 Ca 0.00 0.43 -0.38 0.00 0.71 0.00 0.00 54.79 55.55 3dpx n ASP 117 Cb 0.00 -0.48 -0.06 0.00 -0.02 0.00 0.00 41.12 40.56 3dpx n ASP 117 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 3dpx s THR 118 N -2.95 5.14 -0.21 -3.53 2.01 -0.94 -4.30 115.64 110.86 3dpx s THR 118 Ca 0.16 0.78 -0.20 0.00 0.31 0.00 0.00 61.69 62.73 3dpx s THR 118 Cb 0.19 -3.71 -0.02 0.00 0.01 0.00 0.00 72.50 68.97 3dpx s THR 118 CO 0.52 0.48 0.62 -0.22 -0.69 0.00 0.00 174.62 175.33 3dpx s LEU 119 N -0.37 4.12 -0.11 4.42 1.98 -0.06 -0.76 118.68 127.91 3dpx s LEU 119 Ca 0.22 0.78 -0.01 0.00 -2.89 0.00 0.00 54.13 52.23 3dpx s LEU 119 Cb -0.15 -2.86 -0.03 0.00 0.66 0.00 0.00 46.19 43.81 3dpx s LEU 119 CO 0.10 -0.29 -0.05 -0.69 -1.89 0.00 0.00 176.35 173.53 3dpx s VAL 120 N 2.03 3.81 -0.28 1.68 1.01 -0.01 -1.14 120.40 127.50 3dpx s VAL 120 Ca 0.28 -0.41 0.02 0.00 0.00 0.00 0.00 61.98 61.86 3dpx s VAL 120 Cb -0.16 -2.61 0.08 0.00 0.00 0.00 0.00 36.38 33.69 3dpx s VAL 120 CO 0.10 0.56 -0.02 0.21 0.00 0.00 0.00 175.10 175.94 3dpx s ASN 121 N -0.30 4.30 -0.21 3.32 2.47 -0.48 -1.48 114.94 122.56 3dpx s ASN 121 Ca 0.05 -1.58 -0.05 0.00 0.42 0.00 0.00 52.86 51.69 3dpx s ASN 121 Cb -0.13 -1.37 -0.02 0.00 -1.45 0.00 0.00 41.25 38.28 3dpx s ASN 121 CO 0.02 -0.29 0.01 -0.13 -3.72 0.00 0.00 177.10 173.00 3dpx s ARG 122 N 1.20 3.61 0.05 0.43 0.52 -0.38 -1.33 118.95 123.05 3dpx s ARG 122 Ca 0.00 -0.52 0.06 0.00 -0.52 0.00 0.00 55.73 54.76 3dpx s ARG 122 Cb -0.19 -3.12 -0.03 0.00 0.52 0.00 0.00 34.95 32.14 3dpx s ARG 122 CO -0.09 -0.03 -0.18 0.42 0.02 0.00 0.00 175.30 175.44 3dpx s ILE 123 N 1.12 1.44 -0.06 1.52 1.01 0.14 -1.21 121.20 125.15 3dpx s ILE 123 Ca 0.03 -1.18 0.05 0.00 0.00 0.00 0.00 60.65 59.55 3dpx s ILE 123 Cb -0.14 -1.29 -0.01 0.00 0.01 0.00 0.00 42.46 41.03 3dpx s ILE 123 CO 0.02 0.07 -0.22 -1.61 0.00 0.00 0.00 174.94 173.20 3dpx s GLU 124 N -1.29 2.43 -0.03 2.79 2.02 -0.41 -1.71 118.70 122.50 3dpx s GLU 124 Ca 0.05 -0.80 0.03 0.00 0.02 0.00 0.00 54.97 54.27 3dpx s GLU 124 Cb -0.09 -2.00 0.00 0.00 0.10 0.00 0.00 34.13 32.14 3dpx s GLU 124 CO 0.02 0.28 -0.12 -1.17 0.02 0.00 0.00 175.26 174.29 3dpx s LEU 125 N 0.04 1.85 -0.06 1.80 0.20 -0.11 -1.69 118.68 120.71 3dpx s LEU 125 Ca -0.08 -0.24 0.04 0.00 0.69 0.00 0.00 54.13 54.54 3dpx s LEU 125 Cb -0.14 -0.69 0.00 0.00 -0.43 0.00 0.00 46.19 44.92 3dpx s LEU 125 CO 0.04 0.10 -0.17 -0.54 -0.29 0.00 0.00 176.35 175.50 3dpx s LYS 126 N 0.10 1.96 -0.06 1.98 -0.14 0.06 -1.70 119.74 121.94 3dpx s LYS 126 Ca -0.03 -0.60 0.06 0.00 -1.36 0.00 0.00 55.97 54.04 3dpx s LYS 126 Cb -0.09 -1.63 -0.01 0.00 -1.68 0.00 0.00 37.83 34.42 3dpx s LYS 126 CO 0.01 0.17 -0.24 0.20 -0.76 0.00 0.00 175.35 174.73 3dpx s GLY 127 N 0.27 1.25 0.11 -3.33 0.00 0.39 -0.29 107.32 105.71 3dpx s GLY 127 Ca -0.09 -0.98 0.04 0.00 0.00 0.00 0.00 44.72 43.69 3dpx s GLY 127 CO 0.04 -0.55 -0.11 -0.26 0.00 0.00 0.00 173.10 172.21 3dpx s ILE 128 N -0.05 1.05 -1.04 0.90 -4.36 -0.76 -1.05 121.20 115.89 3dpx s ILE 128 Ca -0.06 -1.69 0.00 0.00 -0.26 0.00 0.00 60.65 58.64 3dpx s ILE 128 Cb -0.14 -1.44 0.00 0.00 1.25 0.00 0.00 42.46 42.13 3dpx s ILE 128 CO 0.04 -0.54 0.00 0.47 0.24 0.00 0.00 174.94 175.15 3dpx n ASP 129 N 0.49 -3.96 -4.80 4.36 8.00 -1.26 -2.00 116.55 117.37 3dpx n ASP 129 Ca -0.15 0.14 -0.37 0.00 0.71 0.00 0.00 54.79 55.12 3dpx n ASP 129 Cb 0.58 -2.76 -0.06 0.00 -0.02 0.00 0.00 41.12 38.86 3dpx n ASP 129 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 3dpx s PHE 130 N -2.46 3.70 -0.16 1.24 0.08 -1.26 -3.21 117.98 115.91 3dpx s PHE 130 Ca 0.00 1.47 -0.29 0.00 0.12 0.00 0.00 56.93 58.22 3dpx s PHE 130 Cb 0.00 -2.67 -0.01 0.00 -0.57 0.00 0.00 43.02 39.77 3dpx s PHE 130 CO 0.00 0.36 1.16 0.15 -0.10 0.00 0.00 175.22 176.79 3dpx s LYS 131 N -1.82 4.28 0.41 0.44 1.02 -1.26 -4.91 119.74 117.90 3dpx s LYS 131 Ca 0.42 1.54 0.19 0.00 0.02 0.00 0.00 55.97 58.14 3dpx s LYS 131 Cb -0.18 -3.67 1.12 0.00 -0.52 0.00 0.00 37.83 34.58 3dpx s LYS 131 CO 0.22 -0.60 1.80 0.93 -0.92 0.00 0.00 175.35 176.78 3dpx h GLU 132 N 7.73 0.37 -0.52 1.68 4.39 -1.96 -0.64 114.58 125.63 3dpx h GLU 132 Ca -0.26 -0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.42 3dpx h GLU 132 Cb 1.10 -0.08 0.00 0.00 -0.10 0.00 0.00 28.75 29.67 3dpx h GLU 132 CO 0.95 0.24 0.00 -0.40 -1.16 0.00 0.00 179.01 178.64 3dpx n ASP 133 N -4.56 4.17 -3.21 1.42 5.75 -1.26 -3.49 116.55 115.37 3dpx n ASP 133 Ca 0.23 -2.42 -0.19 0.00 -0.01 0.00 0.00 54.79 52.39 3dpx n ASP 133 Cb 0.83 -0.49 0.15 0.00 -1.03 0.00 0.00 41.12 40.58 3dpx n ASP 133 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3dpx n GLY 134 N 0.73 -2.01 0.25 6.12 0.00 -0.25 -4.67 105.19 105.38 3dpx n GLY 134 Ca 0.22 -1.59 0.14 0.00 0.00 0.00 0.00 46.02 44.79 3dpx n GLY 134 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 3dpx h ASN 135 N -1.62 0.00 0.00 1.61 2.35 -1.93 0.27 115.58 116.25 3dpx h ASN 135 Ca -0.27 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.48 3dpx h ASN 135 Cb 0.79 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.16 3dpx h ASN 135 CO 0.19 0.11 -0.23 0.40 -1.65 0.00 0.00 177.43 176.25 3dpx h ILE 136 N 0.00 0.00 0.00 2.81 5.03 -1.92 -0.97 117.51 122.46 3dpx h ILE 136 Ca -0.00 -0.49 0.00 0.00 -0.12 0.00 0.00 64.86 64.25 3dpx h ILE 136 Cb 0.57 0.00 0.00 0.00 -3.03 0.00 0.00 36.82 34.36 3dpx h ILE 136 CO 0.01 0.00 0.00 -0.07 -0.68 0.00 0.00 178.15 177.41 3dpx h LEU 137 N -0.49 0.00 -0.73 1.44 3.38 -1.75 -2.26 115.31 114.91 3dpx h LEU 137 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3dpx h LEU 137 Cb 0.23 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.98 3dpx h LEU 137 CO 0.00 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.14 3dpx n GLY 138 N 0.30 -0.17 3.61 0.83 0.00 0.95 -4.90 105.19 105.81 3dpx n GLY 138 Ca 0.02 -0.32 -0.23 0.00 0.00 0.00 0.00 46.02 45.49 3dpx n GLY 138 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3dpx n HIS 139 N -0.07 -2.01 0.12 1.61 8.25 -0.85 -4.91 115.22 117.36 3dpx n HIS 139 Ca 0.16 0.75 0.11 0.00 -0.26 0.00 0.00 57.72 58.48 3dpx n HIS 139 Cb 0.24 -4.13 0.21 0.00 1.12 0.00 0.00 29.99 27.43 3dpx n HIS 139 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 3dpx n LYS 140 N -4.07 2.45 -3.70 -0.41 5.02 -0.37 -4.98 118.16 112.09 3dpx n LYS 140 Ca -0.21 -2.25 -0.35 0.00 -2.02 0.00 0.00 58.31 53.48 3dpx n LYS 140 Cb 0.65 -1.47 -0.05 0.00 -0.02 0.00 0.00 35.03 34.13 3dpx n LYS 140 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3dpx s LEU 141 N -1.28 4.38 0.55 -0.35 1.43 -1.26 -3.65 118.68 118.50 3dpx s LEU 141 Ca 0.37 0.65 -0.20 0.00 -1.03 0.00 0.00 54.13 53.91 3dpx s LEU 141 Cb 0.21 -2.68 -0.05 0.00 0.03 0.00 0.00 46.19 43.70 3dpx s LEU 141 CO 0.28 0.26 1.22 -1.61 0.23 0.00 0.00 176.35 176.73 3dpx s GLU 142 N -1.64 3.23 -1.23 1.70 2.02 -0.68 -4.92 118.70 117.18 3dpx s GLU 142 Ca 0.27 1.88 -0.13 0.00 0.02 0.00 0.00 54.97 57.01 3dpx s GLU 142 Cb -0.14 -2.12 0.17 0.00 0.10 0.00 0.00 34.13 32.14 3dpx s GLU 142 CO 0.15 -1.01 1.53 0.98 0.02 0.00 0.00 175.26 176.93 3dpx n TYR 143 N -1.17 4.57 -3.35 1.61 9.36 -1.26 -4.84 117.16 122.07 3dpx n TYR 143 Ca 0.11 -3.25 -0.01 0.00 3.32 0.00 0.00 57.90 58.07 3dpx n TYR 143 Cb 0.48 -2.14 0.01 0.00 -0.63 0.00 0.00 39.34 37.06 3dpx n TYR 143 CO 0.00 0.00 0.00 0.27 0.22 0.00 0.00 176.86 177.35 3dpx n ASN 144 N 5.27 -0.43 -3.64 2.98 0.23 -1.26 -4.92 115.26 113.49 3dpx n ASN 144 Ca 0.37 -1.27 -0.03 0.00 -0.53 0.00 0.00 54.58 53.12 3dpx n ASN 144 Cb 0.41 0.71 -0.07 0.00 -2.08 0.00 0.00 39.78 38.75 3dpx n ASN 144 CO 0.00 0.00 0.00 -0.47 -0.93 0.00 0.00 177.26 175.86 3dpx s TYR 145 N -6.35 -0.64 0.35 -2.53 5.04 -1.26 -4.87 117.35 107.08 3dpx s TYR 145 Ca 0.04 1.29 -0.08 0.00 -2.44 0.00 0.00 57.07 55.89 3dpx s TYR 145 Cb -0.01 0.39 -0.06 0.00 0.35 0.00 0.00 41.96 42.63 3dpx s TYR 145 CO 0.02 -0.32 0.66 -0.80 -1.34 0.00 0.00 175.55 173.78 3dpx s ASN 146 N 1.32 6.48 0.29 4.32 0.01 -1.26 -4.74 114.94 121.36 3dpx s ASN 146 Ca -0.08 0.92 -0.27 0.00 -0.71 0.00 0.00 52.86 52.71 3dpx s ASN 146 Cb -0.04 -2.23 -0.10 0.00 0.41 0.00 0.00 41.25 39.30 3dpx s ASN 146 CO -0.15 -0.30 0.93 -0.44 -1.51 0.00 0.00 177.10 175.63 3dpx s SER 147 N -3.20 7.41 -0.11 -1.22 0.01 -1.26 -4.63 113.70 110.70 3dpx s SER 147 Ca 0.47 1.84 -0.09 0.00 1.31 0.00 0.00 55.95 59.49 3dpx s SER 147 Cb -0.10 -2.58 0.03 0.00 0.21 0.00 0.00 66.02 63.58 3dpx s SER 147 CO 0.31 0.00 0.28 -1.00 0.41 0.00 0.00 173.24 173.25 3dpx s HIS 148 N -1.49 -0.33 0.40 2.43 3.76 -0.95 -5.01 115.29 114.10 3dpx s HIS 148 Ca 0.47 0.80 -0.17 0.00 -0.15 0.00 0.00 55.06 56.01 3dpx s HIS 148 Cb -0.21 0.11 -0.09 0.00 1.11 0.00 0.00 32.58 33.50 3dpx s HIS 148 CO 0.26 -0.18 0.86 -0.80 -0.85 0.00 0.00 174.74 174.03 3dpx s ASN 149 N 0.45 6.79 -0.13 1.40 0.02 -1.26 -1.61 114.94 120.60 3dpx s ASN 149 Ca -0.02 1.47 0.01 0.00 -1.02 0.00 0.00 52.86 53.30 3dpx s ASN 149 Cb -0.04 -2.45 0.02 0.00 0.02 0.00 0.00 41.25 38.79 3dpx s ASN 149 CO -0.02 -0.34 -0.15 -0.69 0.02 0.00 0.00 177.10 175.92 3dpx s VAL 150 N -2.19 1.57 -0.32 1.60 1.01 -0.10 -4.85 120.40 117.11 3dpx s VAL 150 Ca 0.58 -0.65 -0.15 0.00 0.00 0.00 0.00 61.98 61.76 3dpx s VAL 150 Cb -0.10 -1.45 -0.02 0.00 0.00 0.00 0.00 36.38 34.81 3dpx s VAL 150 CO 0.19 0.46 0.36 -0.31 0.00 0.00 0.00 175.10 175.80 3dpx s TYR 151 N 1.28 3.22 -0.20 5.22 2.02 -1.19 -0.90 117.35 126.80 3dpx s TYR 151 Ca 0.00 0.12 -0.10 0.00 -0.37 0.00 0.00 57.07 56.72 3dpx s TYR 151 Cb -0.14 -2.64 -0.05 0.00 -0.40 0.00 0.00 41.96 38.73 3dpx s TYR 151 CO -0.07 -0.36 0.14 0.42 -1.57 0.00 0.00 175.55 174.10 3dpx s ILE 152 N 2.04 5.41 0.09 2.71 1.01 0.61 -3.10 121.20 129.96 3dpx s ILE 152 Ca 0.13 0.21 0.07 0.00 0.00 0.00 0.00 60.65 61.05 3dpx s ILE 152 Cb -0.16 -3.48 -0.03 0.00 0.01 0.00 0.00 42.46 38.80 3dpx s ILE 152 CO 0.11 0.44 -0.17 0.00 0.00 0.00 0.00 174.94 175.32 3dpx s MET 153 N 0.33 0.97 0.57 2.79 0.23 -0.28 -1.94 119.30 121.98 3dpx s MET 153 Ca 0.09 -1.05 -0.20 0.00 -1.03 0.00 0.00 55.69 53.50 3dpx s MET 153 Cb -0.11 -1.10 -0.04 0.00 -1.53 0.00 0.00 34.83 32.05 3dpx s MET 153 CO -0.02 0.25 1.26 0.00 -2.03 0.00 0.00 175.02 174.49 3dpx s ALA 154 N -1.21 2.64 -0.51 3.16 0.00 -1.25 -0.39 121.76 124.20 3dpx s ALA 154 Ca 0.02 1.13 0.05 0.00 0.00 0.00 0.00 51.96 53.16 3dpx s ALA 154 Cb -0.10 -3.50 0.18 0.00 0.00 0.00 0.00 23.12 19.71 3dpx s ALA 154 CO 0.03 -1.24 0.43 -3.47 0.00 0.00 0.00 175.76 171.51 3dpx n ASP 155 N -1.35 0.91 0.06 0.00 -0.08 0.18 -4.58 116.55 111.69 3dpx n ASP 155 Ca 0.12 -2.73 0.04 0.00 -1.51 0.00 0.00 54.79 50.71 3dpx n ASP 155 Cb 0.48 -0.63 0.43 0.00 2.34 0.00 0.00 41.12 43.74 3dpx n ASP 155 CO 0.00 0.00 0.00 0.11 0.12 0.00 0.00 177.20 177.43 3dpx h LYS 156 N 5.28 0.41 0.00 -0.67 1.57 -1.95 -1.51 116.57 119.71 3dpx h LYS 156 Ca 0.21 -0.04 -0.02 0.00 -1.87 0.00 0.00 60.65 58.92 3dpx h LYS 156 Cb 0.84 -0.08 -0.00 0.00 0.08 0.00 0.00 32.23 33.07 3dpx h LYS 156 CO 0.51 0.34 -0.10 1.96 -0.57 0.00 0.00 179.45 181.59 3dpx h GLN 157 N 0.42 0.00 -0.32 3.15 4.20 -1.94 -1.70 115.11 118.93 3dpx h GLN 157 Ca 0.11 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.82 3dpx h GLN 157 Cb 0.06 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.84 3dpx h GLN 157 CO -0.01 0.10 0.00 1.63 -0.67 0.00 0.00 178.83 179.88 3dpx n LYS 158 N -3.64 2.23 -3.72 1.46 4.76 -0.65 -4.97 118.16 113.63 3dpx n LYS 158 Ca -0.02 -1.96 -0.28 0.00 -2.87 0.00 0.00 58.31 53.18 3dpx n LYS 158 Cb 0.22 -1.34 0.04 0.00 -1.84 0.00 0.00 35.03 32.10 3dpx n LYS 158 CO 0.00 0.00 0.00 -1.71 -1.37 0.00 0.00 177.40 174.32 3dpx n ASN 159 N 0.88 -5.20 0.00 4.39 5.15 -0.64 -4.70 115.26 115.15 3dpx n ASN 159 Ca 0.13 -0.65 0.00 0.00 -0.60 0.00 0.00 54.58 53.46 3dpx n ASN 159 Cb 0.45 -4.15 0.00 0.00 -0.53 0.00 0.00 39.78 35.56 3dpx n ASN 159 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3dpx n GLY 160 N -1.70 3.78 3.15 8.20 0.00 -0.72 -4.34 105.19 113.55 3dpx n GLY 160 Ca 0.02 -0.46 -0.09 0.00 0.00 0.00 0.00 46.02 45.49 3dpx n GLY 160 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3dpx s ILE 161 N -0.40 0.46 0.11 -0.61 -4.36 -0.62 -0.64 121.20 115.15 3dpx s ILE 161 Ca 0.00 -1.89 0.08 0.00 -0.26 0.00 0.00 60.65 58.58 3dpx s ILE 161 Cb 0.00 -1.70 -0.04 0.00 1.25 0.00 0.00 42.46 41.97 3dpx s ILE 161 CO 0.00 -0.84 -0.19 -0.54 0.24 0.00 0.00 174.94 173.60 3dpx s LYS 162 N -3.89 1.12 -0.03 0.37 1.02 0.48 -0.81 119.74 117.99 3dpx s LYS 162 Ca 0.12 -1.20 -0.02 0.00 0.02 0.00 0.00 55.97 54.90 3dpx s LYS 162 Cb 0.07 -1.29 0.02 0.00 -0.52 0.00 0.00 37.83 36.10 3dpx s LYS 162 CO -0.05 0.29 0.08 0.08 -0.92 0.00 0.00 175.35 174.82 3dpx s VAL 163 N -1.41 -0.03 -0.02 3.17 1.01 -0.18 -1.12 120.40 121.82 3dpx s VAL 163 Ca 0.08 0.11 0.04 0.00 0.00 0.00 0.00 61.98 62.20 3dpx s VAL 163 Cb -0.09 -0.13 -0.01 0.00 0.00 0.00 0.00 36.38 36.15 3dpx s VAL 163 CO 0.04 0.04 -0.12 0.21 0.00 0.00 0.00 175.10 175.28 3dpx s ASN 164 N 0.61 1.48 -0.17 3.32 3.84 -1.18 -0.32 114.94 122.52 3dpx s ASN 164 Ca -0.05 -0.23 -0.34 0.00 0.21 0.00 0.00 52.86 52.45 3dpx s ASN 164 Cb -0.07 -0.24 0.13 0.00 -0.55 0.00 0.00 41.25 40.53 3dpx s ASN 164 CO -0.02 0.13 1.19 0.72 -2.79 0.00 0.00 177.10 176.33 3dpx s PHE 165 N -0.16 -0.14 -0.06 0.43 -0.71 -0.82 -3.18 117.98 113.35 3dpx s PHE 165 Ca 0.02 0.08 0.05 0.00 -1.04 0.00 0.00 56.93 56.04 3dpx s PHE 165 Cb -0.06 0.52 -0.02 0.00 -1.21 0.00 0.00 43.02 42.25 3dpx s PHE 165 CO -0.00 -0.23 -0.20 0.15 -1.34 0.00 0.00 175.22 173.60 3dpx s LYS 166 N -2.47 2.62 -0.10 1.99 1.02 -1.26 -0.40 119.74 121.14 3dpx s LYS 166 Ca 0.09 -0.81 -0.02 0.00 0.02 0.00 0.00 55.97 55.26 3dpx s LYS 166 Cb -0.01 -2.29 -0.03 0.00 -0.52 0.00 0.00 37.83 34.98 3dpx s LYS 166 CO -0.05 0.45 -0.02 0.42 -0.92 0.00 0.00 175.35 175.23 3dpx s ILE 167 N -0.31 4.12 -0.26 2.17 -1.09 -0.15 -4.99 121.20 120.69 3dpx s ILE 167 Ca 0.02 -0.31 -0.06 0.00 -2.23 0.00 0.00 60.65 58.07 3dpx s ILE 167 Cb -0.13 -2.74 -0.01 0.00 -1.58 0.00 0.00 42.46 38.01 3dpx s ILE 167 CO 0.02 0.58 0.03 -0.13 -1.23 0.00 0.00 174.94 174.21 3dpx s ARG 168 N -0.59 3.31 -0.31 2.79 0.52 -1.26 -0.63 118.95 122.78 3dpx s ARG 168 Ca 0.09 -0.69 -0.13 0.00 -0.52 0.00 0.00 55.73 54.49 3dpx s ARG 168 Cb -0.12 -3.21 -0.03 0.00 0.52 0.00 0.00 34.95 32.11 3dpx s ARG 168 CO 0.02 -0.29 0.25 -1.01 0.02 0.00 0.00 175.30 174.28 3dpx s HIS 169 N 1.51 3.22 0.45 -0.53 3.76 -0.08 -4.56 115.29 119.06 3dpx s HIS 169 Ca 0.04 -0.01 -0.24 0.00 -0.15 0.00 0.00 55.06 54.71 3dpx s HIS 169 Cb -0.16 -2.47 -0.08 0.00 1.11 0.00 0.00 32.58 30.99 3dpx s HIS 169 CO 0.00 -0.28 1.18 -0.80 -0.85 0.00 0.00 174.74 173.99 3dpx s ASN 170 N 1.73 6.24 0.01 1.40 -0.87 -1.26 -0.93 114.94 121.26 3dpx s ASN 170 Ca 0.08 2.34 0.06 0.00 -1.57 0.00 0.00 52.86 53.77 3dpx s ASN 170 Cb -0.17 -2.61 -0.03 0.00 -0.02 0.00 0.00 41.25 38.43 3dpx s ASN 170 CO 0.11 -0.87 -0.17 -0.63 -2.57 0.00 0.00 177.10 172.96 3dpx s ILE 171 N -1.50 2.84 0.00 0.60 1.01 -0.83 -1.68 121.20 121.64 3dpx s ILE 171 Ca 0.62 -1.05 0.00 0.00 0.00 0.00 0.00 60.65 60.22 3dpx s ILE 171 Cb -0.30 -2.16 0.00 0.00 0.01 0.00 0.00 42.46 40.01 3dpx s ILE 171 CO 0.36 0.42 0.00 -1.84 0.00 0.00 0.00 174.94 173.88 3dpx n GLU 172 N 1.79 0.00 0.00 2.79 0.28 -1.24 -1.33 120.64 122.94 3dpx n GLU 172 Ca -0.16 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 56.84 3dpx n GLU 172 Cb 0.52 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.39 3dpx n GLU 172 CO 0.00 0.00 0.00 -0.40 -0.16 0.00 0.00 177.13 176.57 3dpx n ASP 173 N -2.20 1.38 0.00 -1.84 5.68 -1.26 -5.01 116.55 113.29 3dpx n ASP 173 Ca 0.00 -1.50 0.00 0.00 -0.50 0.00 0.00 54.79 52.79 3dpx n ASP 173 Cb 0.00 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 39.98 3dpx n ASP 173 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3dpx n GLY 174 N -0.25 1.49 3.72 6.12 0.00 -0.44 -5.07 105.19 110.77 3dpx n GLY 174 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 3dpx n GLY 174 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3dpx s SER 175 N -1.73 3.34 0.09 1.61 0.15 -1.26 -4.87 113.70 111.03 3dpx s SER 175 Ca 0.00 1.32 0.07 0.00 0.70 0.00 0.00 55.95 58.04 3dpx s SER 175 Cb 0.00 -1.99 -0.03 0.00 -1.71 0.00 0.00 66.02 62.28 3dpx s SER 175 CO 0.00 -2.70 -0.19 0.68 1.20 0.00 0.00 173.24 172.24 3dpx s VAL 176 N -3.01 1.50 -0.33 4.45 -7.23 -1.26 -1.97 120.40 112.55 3dpx s VAL 176 Ca 0.64 -1.46 -0.12 0.00 -1.81 0.00 0.00 61.98 59.23 3dpx s VAL 176 Cb -0.17 -1.39 -0.01 0.00 0.56 0.00 0.00 36.38 35.37 3dpx s VAL 176 CO 0.56 -0.12 0.21 -1.58 -0.31 0.00 0.00 175.10 173.87 3dpx s GLN 177 N -1.84 3.37 0.21 4.82 2.00 -0.11 -4.93 119.66 123.18 3dpx s GLN 177 Ca 0.03 -0.72 -0.28 0.00 -2.00 0.00 0.00 55.36 52.40 3dpx s GLN 177 Cb -0.10 -3.72 -0.09 0.00 0.80 0.00 0.00 33.01 29.91 3dpx s GLN 177 CO 0.04 -0.46 0.86 -0.51 -0.50 0.00 0.00 175.29 174.72 3dpx s LEU 178 N 1.67 4.61 -0.25 3.68 1.43 -1.26 -0.90 118.68 127.65 3dpx s LEU 178 Ca 0.05 1.80 -0.01 0.00 -1.03 0.00 0.00 54.13 54.95 3dpx s LEU 178 Cb -0.17 -3.48 0.08 0.00 0.03 0.00 0.00 46.19 42.64 3dpx s LEU 178 CO 0.09 0.17 0.03 0.00 0.23 0.00 0.00 176.35 176.87 3dpx s ALA 179 N -1.19 1.59 -0.30 4.21 0.00 0.20 -1.68 121.76 124.59 3dpx s ALA 179 Ca 0.39 -1.33 -0.18 0.00 0.00 0.00 0.00 51.96 50.84 3dpx s ALA 179 Cb -0.24 -1.45 -0.02 0.00 0.00 0.00 0.00 23.12 21.41 3dpx s ALA 179 CO 0.29 -1.37 0.52 0.34 0.00 0.00 0.00 175.76 175.53 3dpx s ASP 180 N 1.58 6.38 -0.13 0.00 3.68 0.57 -0.98 116.67 127.76 3dpx s ASP 180 Ca 0.02 0.26 -0.04 0.00 2.13 0.00 0.00 52.55 54.92 3dpx s ASP 180 Cb -0.18 -2.28 -0.03 0.00 -1.45 0.00 0.00 42.92 38.98 3dpx s ASP 180 CO -0.13 -0.38 0.02 -1.00 0.13 0.00 0.00 175.17 173.81 3dpx s HIS 181 N 2.37 3.20 -0.10 -5.34 3.76 0.46 -1.24 115.29 118.40 3dpx s HIS 181 Ca 0.20 0.10 0.03 0.00 -0.15 0.00 0.00 55.06 55.23 3dpx s HIS 181 Cb -0.15 -1.92 0.01 0.00 1.11 0.00 0.00 32.58 31.63 3dpx s HIS 181 CO 0.11 0.31 -0.18 0.71 -0.85 0.00 0.00 174.74 174.84 3dpx s TYR 182 N -0.29 2.09 0.02 1.40 1.51 -0.11 -1.94 117.35 120.02 3dpx s TYR 182 Ca 0.07 -0.89 0.02 0.00 -1.01 0.00 0.00 57.07 55.25 3dpx s TYR 182 Cb -0.12 -1.46 -0.01 0.00 -0.11 0.00 0.00 41.96 40.26 3dpx s TYR 182 CO 0.02 -0.41 -0.06 -1.14 -1.11 0.00 0.00 175.55 172.85 3dpx s GLN 183 N 0.66 0.44 0.01 -0.62 0.74 0.56 -1.32 119.66 120.14 3dpx s GLN 183 Ca -0.13 -0.49 0.00 0.00 0.05 0.00 0.00 55.36 54.79 3dpx s GLN 183 Cb -0.16 -0.29 -0.01 0.00 1.10 0.00 0.00 33.01 33.65 3dpx s GLN 183 CO 0.04 0.06 -0.02 -0.65 -0.55 0.00 0.00 175.29 174.16 3dpx s GLN 184 N -0.93 0.24 -0.01 1.67 -0.21 -0.69 -1.01 119.66 118.72 3dpx s GLN 184 Ca -0.05 -0.43 0.05 0.00 0.02 0.00 0.00 55.36 54.94 3dpx s GLN 184 Cb -0.06 0.04 -0.01 0.00 1.00 0.00 0.00 33.01 33.97 3dpx s GLN 184 CO 0.00 -0.02 -0.15 -0.80 -2.12 0.00 0.00 175.29 172.19 3dpx s ASN 185 N -1.01 1.78 0.02 5.90 -0.87 0.01 -1.12 114.94 119.65 3dpx s ASN 185 Ca -0.10 -0.28 0.00 0.00 -1.57 0.00 0.00 52.86 50.91 3dpx s ASN 185 Cb -0.07 -0.20 -0.02 0.00 -0.02 0.00 0.00 41.25 40.95 3dpx s ASN 185 CO -0.01 0.19 -0.02 0.42 -2.57 0.00 0.00 177.10 175.11 3dpx s THR 186 N -0.36 0.10 0.59 1.60 -4.23 -0.64 -1.59 115.64 111.10 3dpx s THR 186 Ca 0.06 -0.68 -0.18 0.00 -1.18 0.00 0.00 61.69 59.70 3dpx s THR 186 Cb -0.06 -0.21 -0.04 0.00 1.34 0.00 0.00 72.50 73.54 3dpx s THR 186 CO -0.01 -0.37 1.17 -2.84 -0.54 0.00 0.00 174.62 172.04 3dpx s PRO 187 N -1.09 3.05 0.01 3.99 0.02 -1.26 -0.74 135.00 138.98 3dpx s PRO 187 Ca -0.12 1.70 -0.18 0.00 0.02 0.00 0.00 61.00 62.43 3dpx s PRO 187 Cb -0.07 -1.95 -0.30 0.00 0.02 0.00 0.00 34.50 32.19 3dpx s PRO 187 CO -0.01 -1.11 1.02 0.82 -0.33 0.00 0.00 177.00 177.39 3dpx h ILE 188 N 0.85 1.37 -3.41 2.83 2.04 -1.20 -3.44 117.51 116.54 3dpx h ILE 188 Ca -0.50 -2.47 -0.46 0.00 1.00 0.00 0.00 64.86 62.44 3dpx h ILE 188 Cb 1.28 2.89 0.11 0.00 -0.74 0.00 0.00 36.82 40.36 3dpx h ILE 188 CO 0.55 0.73 0.27 -0.83 0.00 0.00 0.00 178.15 178.87 3dpx s GLY 189 N -4.41 1.74 0.00 5.37 0.00 -1.26 -5.02 107.32 103.74 3dpx s GLY 189 Ca -0.11 -1.26 0.20 0.00 0.00 0.00 0.00 44.72 43.56 3dpx s GLY 189 CO 0.89 -0.67 1.12 1.34 0.00 0.00 0.00 173.10 175.78 3dpx n ASP 190 N -3.22 2.53 -2.06 1.64 2.03 -1.26 -5.00 116.55 111.22 3dpx n ASP 190 Ca 0.13 -1.77 -0.00 0.00 0.52 0.00 0.00 54.79 53.67 3dpx n ASP 190 Cb 0.60 0.11 0.00 0.00 -0.72 0.00 0.00 41.12 41.11 3dpx n ASP 190 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3dpx n GLY 191 N 1.20 0.87 3.75 0.27 0.00 -1.26 -5.02 105.19 104.99 3dpx n GLY 191 Ca 0.11 -1.97 -0.41 0.00 0.00 0.00 0.00 46.02 43.75 3dpx n GLY 191 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3dpx s PRO 192 N -2.41 4.20 0.25 1.61 0.02 -1.26 -5.03 135.00 132.38 3dpx s PRO 192 Ca 0.01 2.42 0.04 0.00 0.02 0.00 0.00 61.00 63.50 3dpx s PRO 192 Cb -0.00 -3.07 -0.05 0.00 0.02 0.00 0.00 34.50 31.39 3dpx s PRO 192 CO 0.01 -0.51 -0.00 0.14 -0.33 0.00 0.00 177.00 176.30 3dpx s VAL 193 N 0.01 1.15 0.11 3.83 -7.23 -1.26 -4.85 120.40 112.15 3dpx s VAL 193 Ca 0.61 -2.04 -0.27 0.00 -1.81 0.00 0.00 61.98 58.46 3dpx s VAL 193 Cb -0.44 -2.42 -0.06 0.00 0.56 0.00 0.00 36.38 34.02 3dpx s VAL 193 CO 0.45 -0.28 0.86 -0.76 -0.31 0.00 0.00 175.10 175.06 3dpx s LEU 194 N -3.35 4.51 -0.40 1.32 1.43 -1.26 -5.03 118.68 115.90 3dpx s LEU 194 Ca 0.30 1.66 -0.09 0.00 -1.03 0.00 0.00 54.13 54.97 3dpx s LEU 194 Cb 0.06 -3.42 0.06 0.00 0.03 0.00 0.00 46.19 42.92 3dpx s LEU 194 CO 0.10 0.03 0.23 -0.76 0.23 0.00 0.00 176.35 176.18 3dpx s LEU 195 N -0.32 4.96 0.49 1.79 1.43 -1.26 -4.43 118.68 121.34 3dpx s LEU 195 Ca 0.41 -1.34 -0.14 0.00 -1.03 0.00 0.00 54.13 52.04 3dpx s LEU 195 Cb -0.23 -1.98 -0.07 0.00 0.03 0.00 0.00 46.19 43.94 3dpx s LEU 195 CO 0.27 -0.48 0.92 -2.16 0.23 0.00 0.00 176.35 175.13 3dpx s PRO 196 N 1.45 3.84 0.77 1.29 0.04 -1.26 -4.97 135.00 136.17 3dpx s PRO 196 Ca 0.02 0.75 -0.11 0.00 0.04 0.00 0.00 61.00 61.70 3dpx s PRO 196 Cb -0.22 -2.22 0.05 0.00 0.04 0.00 0.00 34.50 32.16 3dpx s PRO 196 CO 0.03 -0.23 1.09 -0.51 0.04 0.00 0.00 177.00 177.42 3dpx s ASP 197 N -3.26 4.73 0.32 6.66 1.01 -1.26 -3.81 116.67 121.07 3dpx s ASP 197 Ca 0.56 1.41 -0.29 0.00 0.71 0.00 0.00 52.55 54.94 3dpx s ASP 197 Cb -0.10 -2.19 -0.11 0.00 1.01 0.00 0.00 42.92 41.53 3dpx s ASP 197 CO 0.34 -1.83 1.53 0.20 0.21 0.00 0.00 175.17 175.62 3dpx s ASN 198 N -3.85 6.40 0.39 0.27 -0.87 -1.26 -4.81 114.94 111.20 3dpx s ASN 198 Ca 0.60 2.95 -0.14 0.00 -1.57 0.00 0.00 52.86 54.71 3dpx s ASN 198 Cb -0.14 -2.65 0.05 0.00 -0.02 0.00 0.00 41.25 38.49 3dpx s ASN 198 CO 0.55 -0.86 0.76 0.00 -2.57 0.00 0.00 177.10 174.97 3dpx n HIS 199 N 1.50 -2.28 -4.34 2.20 1.44 -0.82 -4.47 115.22 108.44 3dpx n HIS 199 Ca 0.05 -1.88 -0.18 0.00 -2.01 0.00 0.00 57.72 53.71 3dpx n HIS 199 Cb 0.38 0.89 -0.10 0.00 0.12 0.00 0.00 29.99 31.28 3dpx n HIS 199 CO 0.00 0.00 0.00 1.52 -2.81 0.00 0.00 176.34 175.05 3dpx s TYR 200 N -2.32 1.63 -0.07 -1.40 -0.85 -0.09 -0.28 117.35 113.96 3dpx s TYR 200 Ca 0.17 -0.80 0.01 0.00 -0.52 0.00 0.00 57.07 55.93 3dpx s TYR 200 Cb -0.05 -0.91 -0.03 0.00 0.38 0.00 0.00 41.96 41.36 3dpx s TYR 200 CO 0.12 0.10 -0.09 -0.51 -1.52 0.00 0.00 175.55 173.66 3dpx s LEU 201 N -3.32 3.04 -0.23 -3.49 1.43 -0.07 -0.85 118.68 115.19 3dpx s LEU 201 Ca 0.26 -0.09 -0.08 0.00 -1.03 0.00 0.00 54.13 53.18 3dpx s LEU 201 Cb 0.04 -1.66 -0.04 0.00 0.03 0.00 0.00 46.19 44.56 3dpx s LEU 201 CO 0.08 0.33 0.10 -0.44 0.23 0.00 0.00 176.35 176.65 3dpx s SER 202 N -0.62 5.60 -0.07 2.29 0.01 0.11 -0.92 113.70 120.10 3dpx s SER 202 Ca 0.09 -0.02 0.01 0.00 1.31 0.00 0.00 55.95 57.34 3dpx s SER 202 Cb -0.11 -1.99 -0.03 0.00 0.21 0.00 0.00 66.02 64.09 3dpx s SER 202 CO 0.02 0.06 -0.08 -0.31 0.41 0.00 0.00 173.24 173.33 3dpx s TYR 203 N 1.09 2.90 -0.02 2.43 1.51 -0.63 -1.81 117.35 122.82 3dpx s TYR 203 Ca 0.05 -0.03 0.02 0.00 -1.01 0.00 0.00 57.07 56.10 3dpx s TYR 203 Cb -0.14 -1.71 0.01 0.00 -0.11 0.00 0.00 41.96 40.00 3dpx s TYR 203 CO 0.04 0.28 -0.06 -0.65 -1.11 0.00 0.00 175.55 174.05 3dpx s GLN 204 N -0.73 0.68 -0.02 -0.62 -0.21 -0.46 -2.23 119.66 116.08 3dpx s GLN 204 Ca 0.11 -0.19 0.02 0.00 0.02 0.00 0.00 55.36 55.32 3dpx s GLN 204 Cb -0.11 -0.67 0.00 0.00 1.00 0.00 0.00 33.01 33.23 3dpx s GLN 204 CO 0.01 0.05 -0.05 -1.12 -2.12 0.00 0.00 175.29 172.06 3dpx s SER 205 N 0.30 0.76 -0.06 5.90 0.01 -1.26 -1.04 113.70 118.31 3dpx s SER 205 Ca -0.04 -0.11 0.02 0.00 1.31 0.00 0.00 55.95 57.13 3dpx s SER 205 Cb -0.08 -0.18 0.01 0.00 0.21 0.00 0.00 66.02 65.98 3dpx s SER 205 CO -0.00 0.03 -0.11 0.00 0.41 0.00 0.00 173.24 173.57 3dpx s ALA 206 N 0.19 1.18 -0.06 1.44 0.00 0.26 -4.63 121.76 120.13 3dpx s ALA 206 Ca -0.02 -0.38 0.02 0.00 0.00 0.00 0.00 51.96 51.58 3dpx s ALA 206 Cb -0.06 -0.52 -0.03 0.00 0.00 0.00 0.00 23.12 22.51 3dpx s ALA 206 CO -0.00 0.11 -0.11 -0.51 0.00 0.00 0.00 175.76 175.25 3dpx s LEU 207 N 0.61 2.92 0.00 0.00 1.43 -1.26 -1.13 118.68 121.25 3dpx s LEU 207 Ca -0.13 -0.13 -0.05 0.00 -1.03 0.00 0.00 54.13 52.80 3dpx s LEU 207 Cb -0.15 -1.62 0.02 0.00 0.03 0.00 0.00 46.19 44.47 3dpx s LEU 207 CO 0.03 0.34 0.40 -1.54 0.23 0.00 0.00 176.35 175.81 3dpx n SER 208 N 2.36 -1.14 -4.29 2.29 3.41 -0.07 -4.93 113.62 111.26 3dpx n SER 208 Ca -0.18 -2.15 -0.18 0.00 -0.26 0.00 0.00 58.87 56.11 3dpx n SER 208 Cb 0.53 2.01 -0.11 0.00 -0.26 0.00 0.00 64.21 66.38 3dpx n SER 208 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 3dpx s LYS 209 N -2.33 1.16 -0.29 4.33 -0.14 -1.26 -1.55 119.74 119.66 3dpx s LYS 209 Ca 0.15 -1.41 -0.10 0.00 -1.36 0.00 0.00 55.97 53.25 3dpx s LYS 209 Cb -0.02 -0.97 -0.03 0.00 -1.68 0.00 0.00 37.83 35.14 3dpx s LYS 209 CO 0.11 0.17 0.16 0.34 -0.76 0.00 0.00 175.35 175.37 3dpx s ASP 210 N -2.90 5.70 0.60 2.83 -1.08 -1.26 -4.95 116.67 115.61 3dpx s ASP 210 Ca 0.16 -0.29 0.38 0.00 -0.52 0.00 0.00 52.55 52.28 3dpx s ASP 210 Cb -0.02 -2.05 1.91 0.00 -1.46 0.00 0.00 42.92 41.30 3dpx s ASP 210 CO 0.04 -0.13 2.20 1.55 0.52 0.00 0.00 175.17 179.35 3dpx h PRO 211 N 8.36 0.00 -0.01 4.34 0.13 -2.03 -1.59 132.00 141.20 3dpx h PRO 211 Ca -0.34 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.79 3dpx h PRO 211 Cb 1.17 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.30 3dpx h PRO 211 CO 0.59 0.02 -0.20 0.09 -0.23 0.00 0.00 178.00 178.27 3dpx n ASN 212 N -3.20 0.97 -4.61 1.44 3.02 -1.26 -4.85 115.26 106.77 3dpx n ASN 212 Ca -0.02 -0.90 -0.40 0.00 -0.03 0.00 0.00 54.58 53.24 3dpx n ASN 212 Cb 0.17 0.08 -0.08 0.00 -0.61 0.00 0.00 39.78 39.35 3dpx n ASN 212 CO 0.00 0.00 0.00 -0.70 -2.62 0.00 0.00 177.26 173.94 3dpx s GLU 213 N -2.44 3.99 0.08 3.52 2.56 -0.60 -4.94 118.70 120.87 3dpx s GLU 213 Ca 0.27 0.17 0.24 0.00 0.00 0.00 0.00 54.97 55.64 3dpx s GLU 213 Cb 0.20 -3.67 0.25 0.00 2.00 0.00 0.00 34.13 32.91 3dpx s GLU 213 CO 0.49 -0.37 1.22 1.63 -0.56 0.00 0.00 175.26 177.68 3dpx n LYS 214 N 5.50 0.25 -1.60 4.30 4.76 -1.26 -4.89 118.16 125.22 3dpx n LYS 214 Ca -0.06 0.04 -0.31 0.00 -2.87 0.00 0.00 58.31 55.12 3dpx n LYS 214 Cb 0.50 -1.63 0.06 0.00 -1.84 0.00 0.00 35.03 32.12 3dpx n LYS 214 CO 0.00 0.00 0.00 1.03 -1.37 0.00 0.00 177.40 177.06 3dpx s ARG 215 N -3.16 2.80 0.09 1.97 0.52 -1.26 -5.00 118.95 114.92 3dpx s ARG 215 Ca 0.06 0.85 -0.31 0.00 -0.52 0.00 0.00 55.73 55.82 3dpx s ARG 215 Cb 0.14 -1.98 -0.07 0.00 0.52 0.00 0.00 34.95 33.56 3dpx s ARG 215 CO 0.75 -1.17 1.33 0.34 0.02 0.00 0.00 175.30 176.56 3dpx s ASP 216 N -3.87 6.91 0.28 0.23 2.15 -1.26 -4.96 116.67 116.15 3dpx s ASP 216 Ca 0.58 2.21 -0.21 0.00 0.43 0.00 0.00 52.55 55.56 3dpx s ASP 216 Cb -0.14 -2.58 0.02 0.00 -0.30 0.00 0.00 42.92 39.92 3dpx s ASP 216 CO 0.55 -0.59 0.74 -1.38 -0.17 0.00 0.00 175.17 174.31 3dpx s HIS 217 N 1.16 -0.17 -0.11 -5.34 -3.43 -1.26 -0.83 115.29 105.31 3dpx s HIS 217 Ca 0.63 -0.29 -0.05 0.00 -0.80 0.00 0.00 55.06 54.54 3dpx s HIS 217 Cb -0.34 0.71 0.05 0.00 -1.43 0.00 0.00 32.58 31.57 3dpx s HIS 217 CO 0.30 -1.23 0.26 1.41 -2.00 0.00 0.00 174.74 173.47 3dpx s MET 218 N -3.80 0.21 -0.21 -0.38 1.75 -0.10 -4.97 119.30 111.80 3dpx s MET 218 Ca 0.11 0.58 -0.10 0.00 -1.25 0.00 0.00 55.69 55.03 3dpx s MET 218 Cb -0.06 -0.10 -0.05 0.00 2.84 0.00 0.00 34.83 37.46 3dpx s MET 218 CO 0.07 -0.18 0.14 0.08 -0.65 0.00 0.00 175.02 174.48 3dpx s VAL 219 N 1.40 5.36 -0.09 10.11 1.01 -0.59 -0.22 120.40 137.38 3dpx s VAL 219 Ca -0.08 0.17 0.03 0.00 0.00 0.00 0.00 61.98 62.10 3dpx s VAL 219 Cb -0.10 -3.46 0.01 0.00 0.00 0.00 0.00 36.38 32.82 3dpx s VAL 219 CO -0.09 0.41 -0.18 -0.22 0.00 0.00 0.00 175.10 175.02 3dpx s LEU 220 N 0.58 1.88 -0.14 3.92 2.96 0.47 -0.89 118.68 127.47 3dpx s LEU 220 Ca 0.08 -0.45 0.02 0.00 -0.22 0.00 0.00 54.13 53.56 3dpx s LEU 220 Cb -0.12 -1.16 0.01 0.00 0.50 0.00 0.00 46.19 45.42 3dpx s LEU 220 CO 0.00 0.09 -0.21 -0.22 -1.32 0.00 0.00 176.35 174.69 3dpx s LEU 221 N 0.58 2.19 0.04 -0.68 2.96 -0.29 -0.61 118.68 122.88 3dpx s LEU 221 Ca -0.15 -0.57 0.04 0.00 -0.22 0.00 0.00 54.13 53.23 3dpx s LEU 221 Cb -0.17 -1.47 -0.02 0.00 0.50 0.00 0.00 46.19 45.03 3dpx s LEU 221 CO 0.05 0.09 -0.13 -1.61 -1.32 0.00 0.00 176.35 173.43 3dpx s GLU 222 N 0.78 0.85 -0.06 1.98 2.02 -0.42 -0.57 118.70 123.27 3dpx s GLU 222 Ca -0.08 -0.76 0.02 0.00 0.02 0.00 0.00 54.97 54.18 3dpx s GLU 222 Cb -0.16 -0.84 0.01 0.00 0.10 0.00 0.00 34.13 33.25 3dpx s GLU 222 CO -0.01 0.20 -0.11 -0.06 0.02 0.00 0.00 175.26 175.31 3dpx s PHE 223 N -0.93 1.27 -0.03 1.61 0.08 -0.20 -1.45 117.98 118.32 3dpx s PHE 223 Ca -0.00 -0.43 -0.01 0.00 0.12 0.00 0.00 56.93 56.61 3dpx s PHE 223 Cb -0.08 -0.95 0.03 0.00 -0.57 0.00 0.00 43.02 41.45 3dpx s PHE 223 CO 0.01 -0.23 0.06 0.08 -0.10 0.00 0.00 175.22 175.04 3dpx s VAL 224 N 0.63 -0.07 0.01 -0.44 1.01 0.12 -1.35 120.40 120.31 3dpx s VAL 224 Ca -0.12 0.24 0.02 0.00 0.00 0.00 0.00 61.98 62.12 3dpx s VAL 224 Cb -0.15 -0.12 -0.01 0.00 0.00 0.00 0.00 36.38 36.10 3dpx s VAL 224 CO 0.03 0.10 -0.06 -0.89 0.00 0.00 0.00 175.10 174.28 3dpx s THR 225 N 1.27 0.44 0.26 3.92 2.01 -0.75 -1.23 115.64 121.56 3dpx s THR 225 Ca -0.07 -0.56 -0.17 0.00 0.31 0.00 0.00 61.69 61.20 3dpx s THR 225 Cb -0.13 -0.44 -0.08 0.00 0.01 0.00 0.00 72.50 71.86 3dpx s THR 225 CO -0.04 -0.09 0.72 0.00 -0.69 0.00 0.00 174.62 174.52 3dpx s ALA 226 N -0.63 3.39 0.36 7.40 0.00 0.13 0.10 121.76 132.50 3dpx s ALA 226 Ca -0.03 0.09 -0.15 0.00 0.00 0.00 0.00 51.96 51.87 3dpx s ALA 226 Cb -0.05 -2.78 0.04 0.00 0.00 0.00 0.00 23.12 20.33 3dpx s ALA 226 CO 0.00 0.34 0.75 0.00 0.00 0.00 0.00 175.76 176.84 3dpx s ALA 227 N -1.70 -0.66 0.00 0.00 0.00 -0.03 -4.51 121.76 114.87 3dpx s ALA 227 Ca 0.47 -0.76 0.00 0.00 0.00 0.00 0.00 51.96 51.67 3dpx s ALA 227 Cb -0.14 0.75 0.00 0.00 0.00 0.00 0.00 23.12 23.73 3dpx s ALA 227 CO 0.20 -0.97 0.00 0.41 0.00 0.00 0.00 175.76 175.39 3dpx n GLY 228 N -0.52 0.67 3.37 0.00 0.00 -1.26 -0.92 105.19 106.53 3dpx n GLY 228 Ca -0.07 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.55 3dpx n GLY 228 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3dpx s ILE 229 N -2.00 4.50 -2.00 -0.61 1.01 -1.26 -4.77 121.20 116.06 3dpx s ILE 229 Ca 0.00 -0.86 0.30 0.00 0.00 0.00 0.00 60.65 60.09 3dpx s ILE 229 Cb 0.00 -3.50 0.85 0.00 0.01 0.00 0.00 42.46 39.82 3dpx s ILE 229 CO 0.00 -0.21 2.11 0.35 0.00 0.00 0.00 174.94 177.19