#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dwo n GLY 2 N 0.00 2.02 0.48 0.00 0.00 -1.26 -0.88 105.19 105.55 3dwo n GLY 2 Ca 0.00 0.47 0.07 0.00 0.00 0.00 0.00 46.02 46.56 3dwo n GLY 2 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 3dwo n PHE 3 N 4.17 0.34 -3.62 1.61 -1.74 -1.26 -4.96 117.46 112.01 3dwo n PHE 3 Ca 0.00 -1.13 -0.36 0.00 -0.56 0.00 0.00 57.45 55.40 3dwo n PHE 3 Cb 0.00 -0.25 -0.06 0.00 1.52 0.00 0.00 39.48 40.70 3dwo n PHE 3 CO 0.00 0.00 0.00 -1.64 -0.56 0.00 0.00 176.76 174.56 3dwo s MET 4 N -2.98 3.74 0.04 3.97 -1.94 -0.06 -0.82 119.30 121.26 3dwo s MET 4 Ca 0.37 0.18 0.09 0.00 -1.71 0.00 0.00 55.69 54.61 3dwo s MET 4 Cb 0.32 -3.11 -0.03 0.00 2.01 0.00 0.00 34.83 34.03 3dwo s MET 4 CO 0.02 0.65 -0.25 0.08 -0.01 0.00 0.00 175.02 175.51 3dwo s VAL 5 N -1.23 2.23 0.21 -6.03 1.01 0.85 -4.83 120.40 112.60 3dwo s VAL 5 Ca 0.27 -1.33 -0.31 0.00 0.00 0.00 0.00 61.98 60.60 3dwo s VAL 5 Cb -0.14 -1.87 -0.11 0.00 0.00 0.00 0.00 36.38 34.26 3dwo s VAL 5 CO 0.14 0.39 1.60 -2.84 0.00 0.00 0.00 175.10 174.39 3dwo s PRO 6 N -1.20 4.18 -0.98 2.72 0.02 -1.26 -4.65 135.00 133.83 3dwo s PRO 6 Ca 0.12 2.46 -0.03 0.00 0.02 0.00 0.00 61.00 63.57 3dwo s PRO 6 Cb -0.10 -3.11 0.28 0.00 0.02 0.00 0.00 34.50 31.59 3dwo s PRO 6 CO 0.02 -0.63 1.17 0.25 -0.33 0.00 0.00 177.00 177.48 3dwo n THR 7 N 3.54 4.30 -4.22 0.99 -2.24 -1.26 -4.94 114.28 110.46 3dwo n THR 7 Ca 0.13 -5.58 -0.11 0.00 -2.27 0.00 0.00 64.05 56.22 3dwo n THR 7 Cb 0.37 -2.22 -0.03 0.00 -2.10 0.00 0.00 70.33 66.35 3dwo n THR 7 CO 0.00 0.00 0.00 0.41 -0.57 0.00 0.00 175.07 174.91 3dwo n THR 8 N 1.64 0.00 -3.72 4.28 -1.04 -1.26 -4.79 114.28 109.39 3dwo n THR 8 Ca 0.26 -1.04 -0.23 0.00 -2.04 0.00 0.00 64.05 60.99 3dwo n THR 8 Cb 0.36 0.38 0.01 0.00 -1.82 0.00 0.00 70.33 69.26 3dwo n THR 8 CO 0.00 0.00 0.00 -0.46 -0.64 0.00 0.00 175.07 173.97 3dwo n ASN 9 N -1.84 2.48 -0.33 8.00 0.23 -1.26 -4.95 115.26 117.59 3dwo n ASN 9 Ca -0.02 -2.66 0.01 0.00 -0.53 0.00 0.00 54.58 51.38 3dwo n ASN 9 Cb 0.27 -0.09 0.18 0.00 -2.08 0.00 0.00 39.78 38.06 3dwo n ASN 9 CO 0.00 0.00 0.00 0.71 -0.93 0.00 0.00 177.26 177.04 3dwo h THR 10 N 0.56 1.15 -0.41 5.53 1.35 -1.93 -1.16 112.91 118.00 3dwo h THR 10 Ca -0.30 -0.40 0.01 0.00 -0.55 0.00 0.00 66.41 65.17 3dwo h THR 10 Cb 1.15 -0.12 -0.02 0.00 -1.73 0.00 0.00 68.15 67.42 3dwo h THR 10 CO 0.47 0.21 0.25 0.00 -0.25 0.00 0.00 175.52 176.20 3dwo h ALA 11 N 1.46 0.51 -0.42 6.62 0.00 -1.93 0.07 119.26 125.57 3dwo h ALA 11 Ca 0.38 -0.01 0.03 0.00 0.00 0.00 0.00 54.91 55.30 3dwo h ALA 11 Cb 0.03 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.66 3dwo h ALA 11 CO -0.12 -0.07 0.23 0.78 0.00 0.00 0.00 179.25 180.06 3dwo h GLY 12 N 0.50 0.57 1.34 0.00 0.00 -1.67 -1.78 103.07 102.04 3dwo h GLY 12 Ca 0.16 -0.16 0.02 0.00 0.00 0.00 0.00 47.33 47.34 3dwo h GLY 12 CO -0.06 0.13 0.41 1.49 0.00 0.00 0.00 176.54 178.51 3dwo h TRP 13 N 0.46 0.74 0.00 5.60 4.06 -0.68 0.34 115.95 126.47 3dwo h TRP 13 Ca 0.17 0.02 -0.02 0.00 2.06 0.00 0.00 58.89 61.12 3dwo h TRP 13 Cb 0.05 -0.25 -0.00 0.00 -1.00 0.00 0.00 29.16 27.95 3dwo h TRP 13 CO -0.09 0.45 -0.08 0.78 -3.56 0.00 0.00 178.44 175.95 3dwo h GLY 14 N 0.79 0.00 -1.39 1.49 0.00 -0.09 -2.68 103.07 101.18 3dwo h GLY 14 Ca 0.24 0.00 -0.08 0.00 0.00 0.00 0.00 47.33 47.49 3dwo h GLY 14 CO -0.06 0.00 -0.26 -0.96 0.00 0.00 0.00 176.54 175.26 3dwo n ARG 15 N -3.95 1.73 -3.27 4.80 1.85 -0.75 -2.87 116.66 114.20 3dwo n ARG 15 Ca -0.02 -3.19 -0.23 0.00 -1.00 0.00 0.00 57.85 53.41 3dwo n ARG 15 Cb 0.17 -1.70 0.01 0.00 -1.05 0.00 0.00 32.46 29.89 3dwo n ARG 15 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 3dwo n ALA 16 N -1.12 -1.05 -1.05 2.89 0.00 -1.01 -1.37 120.51 117.80 3dwo n ALA 16 Ca 0.25 0.17 -0.02 0.00 0.00 0.00 0.00 53.44 53.84 3dwo n ALA 16 Cb 0.84 -3.33 -0.01 0.00 0.00 0.00 0.00 19.45 16.96 3dwo n ALA 16 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 3dwo n MET 17 N -3.91 -1.49 -1.98 0.00 0.00 0.11 -4.73 117.12 105.12 3dwo n MET 17 Ca -0.05 0.46 -0.42 0.00 0.00 0.00 0.00 57.70 57.69 3dwo n MET 17 Cb 0.57 -4.61 -0.03 0.00 0.00 0.00 0.00 33.22 29.15 3dwo n MET 17 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 3dwo s ALA 18 N -1.38 3.70 0.00 3.04 0.00 -0.47 -1.87 121.76 124.78 3dwo s ALA 18 Ca 0.00 1.34 0.00 0.00 0.00 0.00 0.00 51.96 53.30 3dwo s ALA 18 Cb 0.00 -3.59 0.00 0.00 0.00 0.00 0.00 23.12 19.53 3dwo s ALA 18 CO 0.00 -0.75 0.00 0.41 0.00 0.00 0.00 175.76 175.42 3dwo n GLY 19 N 3.09 1.13 7.00 0.00 0.00 -1.23 -4.68 105.19 110.50 3dwo n GLY 19 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.13 3dwo n GLY 19 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3dwo n GLY 20 N -2.00 3.53 1.18 -0.02 0.00 -0.78 -1.91 105.19 105.19 3dwo n GLY 20 Ca 0.00 -0.07 -0.01 0.00 0.00 0.00 0.00 46.02 45.94 3dwo n GLY 20 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3dwo n SER 21 N 4.73 3.24 -0.13 1.61 3.41 -1.26 -4.63 113.62 120.59 3dwo n SER 21 Ca 0.00 -3.44 0.14 0.00 -0.26 0.00 0.00 58.87 55.31 3dwo n SER 21 Cb 0.00 -0.62 0.56 0.00 -0.26 0.00 0.00 64.21 63.89 3dwo n SER 21 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3dwo n LEU 22 N -0.84 0.55 -4.77 1.04 4.77 -0.80 -4.61 117.00 112.33 3dwo n LEU 22 Ca 0.31 -0.02 -0.36 0.00 -0.03 0.00 0.00 56.01 55.91 3dwo n LEU 22 Cb 1.05 -0.19 0.00 0.00 -2.33 0.00 0.00 43.42 41.96 3dwo n LEU 22 CO 0.22 0.10 0.82 -0.36 -1.33 0.00 0.00 177.39 176.84 3dwo s PHE 23 N -2.51 2.70 -0.27 -1.77 0.08 -1.26 -4.88 117.98 110.07 3dwo s PHE 23 Ca 0.27 1.53 -0.43 0.00 0.12 0.00 0.00 56.93 58.42 3dwo s PHE 23 Cb 0.20 -3.37 -0.19 0.00 -0.57 0.00 0.00 43.02 39.09 3dwo s PHE 23 CO 0.49 -1.68 1.48 -2.30 -0.10 0.00 0.00 175.22 173.11 3dwo n PRO 24 N -1.01 0.40 -3.84 0.24 -0.02 -1.26 -2.92 135.00 126.58 3dwo n PRO 24 Ca 0.10 0.15 -0.28 0.00 -2.02 0.00 0.00 63.50 61.45 3dwo n PRO 24 Cb 0.49 -1.70 0.01 0.00 -0.02 0.00 0.00 33.50 32.28 3dwo n PRO 24 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 3dwo n ASN 25 N 3.58 -2.16 -4.35 2.55 3.02 -1.26 -4.95 115.26 111.68 3dwo n ASN 25 Ca 0.26 -1.00 -0.43 0.00 -0.03 0.00 0.00 54.58 53.37 3dwo n ASN 25 Cb 0.04 -3.20 -0.08 0.00 -0.61 0.00 0.00 39.78 35.93 3dwo n ASN 25 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 3dwo s ASP 26 N -4.05 6.02 0.57 6.41 2.15 -1.15 -4.96 116.67 121.67 3dwo s ASP 26 Ca 0.17 -1.40 0.31 0.00 0.43 0.00 0.00 52.55 52.07 3dwo s ASP 26 Cb -0.07 -2.14 1.67 0.00 -0.30 0.00 0.00 42.92 42.09 3dwo s ASP 26 CO 0.88 -0.63 1.93 1.55 -0.17 0.00 0.00 175.17 178.72 3dwo h PRO 27 N 8.67 0.00 0.00 4.34 0.13 -1.92 -1.65 132.00 141.57 3dwo h PRO 27 Ca -0.27 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.86 3dwo h PRO 27 Cb 1.10 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.23 3dwo h PRO 27 CO 0.86 0.00 0.00 -1.13 -0.23 0.00 0.00 178.00 177.50 3dwo n SER 28 N -2.74 0.22 0.28 1.44 3.41 -1.26 -1.63 113.62 113.35 3dwo n SER 28 Ca -0.02 0.58 0.15 0.00 -0.26 0.00 0.00 58.87 59.33 3dwo n SER 28 Cb 0.24 -0.62 0.82 0.00 -0.26 0.00 0.00 64.21 64.39 3dwo n SER 28 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3dwo h ALA 29 N 2.15 1.23 -0.40 7.33 0.00 -1.55 -2.39 119.26 125.63 3dwo h ALA 29 Ca 0.00 -0.07 0.12 0.00 0.00 0.00 0.00 54.91 54.96 3dwo h ALA 29 Cb 0.11 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 3dwo h ALA 29 CO 0.00 0.09 0.45 0.00 0.00 0.00 0.00 179.25 179.79 3dwo h ALA 30 N 1.93 2.09 0.00 0.00 0.00 -1.56 -1.52 119.26 120.20 3dwo h ALA 30 Ca -0.00 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 3dwo h ALA 30 Cb 0.27 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.09 3dwo h ALA 30 CO 0.01 -0.66 -0.79 0.34 0.00 0.00 0.00 179.25 178.15 3dwo n PHE 31 N -3.67 0.00 -0.15 0.00 7.35 -0.97 -4.54 117.46 115.48 3dwo n PHE 31 Ca 0.07 0.00 -0.05 0.00 -0.76 0.00 0.00 57.45 56.71 3dwo n PHE 31 Cb 0.62 -0.04 0.04 0.00 0.35 0.00 0.00 39.48 40.45 3dwo n PHE 31 CO 0.00 0.00 0.00 -0.91 -0.76 0.00 0.00 176.76 175.09 3dwo h ASN 32 N -0.04 0.39 -1.44 -2.13 2.35 -1.52 -3.39 115.58 109.81 3dwo h ASN 32 Ca -0.02 0.02 -0.22 0.00 -0.55 0.00 0.00 56.30 55.53 3dwo h ASN 32 Cb 0.76 -0.06 -0.24 0.00 0.05 0.00 0.00 38.32 38.83 3dwo h ASN 32 CO -0.01 0.28 -0.57 0.21 -1.65 0.00 0.00 177.43 175.68 3dwo s ASN 33 N -5.51 -0.32 0.55 5.81 3.84 -1.11 -4.81 114.94 113.38 3dwo s ASN 33 Ca -0.13 -1.31 0.27 0.00 0.21 0.00 0.00 52.86 51.90 3dwo s ASN 33 Cb 0.13 1.29 1.45 0.00 -0.55 0.00 0.00 41.25 43.57 3dwo s ASN 33 CO 0.73 -0.19 1.97 1.55 -2.79 0.00 0.00 177.10 178.37 3dwo h PRO 34 N 6.74 0.00 -0.82 0.43 0.13 -1.48 -2.13 132.00 134.88 3dwo h PRO 34 Ca 0.06 0.00 0.03 0.00 -0.87 0.00 0.00 66.00 65.23 3dwo h PRO 34 Cb 1.11 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.19 3dwo h PRO 34 CO 0.14 0.00 0.54 0.00 -0.23 0.00 0.00 178.00 178.45 3dwo h ALA 35 N 1.66 1.50 0.00 -0.56 0.00 -1.78 -1.14 119.26 118.94 3dwo h ALA 35 Ca 0.26 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.13 3dwo h ALA 35 Cb 1.10 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 18.60 3dwo h ALA 35 CO -0.00 0.42 0.00 0.00 0.00 0.00 0.00 179.25 179.67 3dwo n ALA 36 N -2.41 1.19 0.25 0.00 0.00 -0.80 -1.57 120.51 117.17 3dwo n ALA 36 Ca 0.11 0.18 0.11 0.00 0.00 0.00 0.00 53.44 53.84 3dwo n ALA 36 Cb 0.11 -1.34 0.67 0.00 0.00 0.00 0.00 19.45 18.89 3dwo n ALA 36 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 177.50 179.48 3dwo h MET 37 N 0.00 0.00 0.00 0.00 -1.53 -1.35 -2.43 114.93 109.61 3dwo h MET 37 Ca 0.00 0.00 0.00 0.00 -3.44 0.00 0.00 59.70 56.26 3dwo h MET 37 Cb 0.09 0.00 0.00 0.00 -0.55 0.00 0.00 31.60 31.14 3dwo h MET 37 CO 0.00 0.14 0.00 0.00 0.14 0.00 0.00 176.91 177.19 3dwo n ALA 38 N -2.31 1.53 -0.19 0.39 0.00 -0.61 -2.04 120.51 117.29 3dwo n ALA 38 Ca -0.02 -0.04 0.04 0.00 0.00 0.00 0.00 53.44 53.42 3dwo n ALA 38 Cb 0.26 -1.16 0.10 0.00 0.00 0.00 0.00 19.45 18.64 3dwo n ALA 38 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 3dwo n PHE 39 N -1.42 0.28 -3.27 0.00 3.72 -0.92 -4.90 117.46 110.95 3dwo n PHE 39 Ca 0.03 -0.54 -0.43 0.00 -0.05 0.00 0.00 57.45 56.46 3dwo n PHE 39 Cb 0.10 -0.06 -0.08 0.00 -0.94 0.00 0.00 39.48 38.50 3dwo n PHE 39 CO 0.00 0.00 0.00 0.42 -0.05 0.00 0.00 176.76 177.13 3dwo s ILE 40 N -1.18 5.03 -2.00 4.37 1.01 -0.86 -4.73 121.20 122.84 3dwo s ILE 40 Ca 0.15 -0.22 0.21 0.00 0.00 0.00 0.00 60.65 60.79 3dwo s ILE 40 Cb 0.09 -4.07 0.60 0.00 0.01 0.00 0.00 42.46 39.09 3dwo s ILE 40 CO 0.09 -0.45 1.66 -0.90 0.00 0.00 0.00 174.94 175.33 3dwo n ASP 41 N 5.75 0.00 -3.49 3.58 3.85 -1.26 -4.77 116.55 120.20 3dwo n ASP 41 Ca -0.06 -0.83 -0.09 0.00 -0.71 0.00 0.00 54.79 53.10 3dwo n ASP 41 Cb 0.48 0.00 -0.01 0.00 -1.35 0.00 0.00 41.12 40.23 3dwo n ASP 41 CO 0.00 0.00 0.00 -1.59 -1.01 0.00 0.00 177.20 174.60 3dwo s LYS 42 N -2.00 1.91 0.06 0.11 0.00 -1.26 -5.01 119.74 113.55 3dwo s LYS 42 Ca 0.31 -1.29 -0.31 0.00 0.00 0.00 0.00 55.97 54.69 3dwo s LYS 42 Cb 0.14 0.57 -0.06 0.00 0.00 0.00 0.00 37.83 38.48 3dwo s LYS 42 CO 0.24 -0.86 1.25 1.03 0.00 0.00 0.00 175.35 177.02 3dwo s ARG 43 N -3.28 4.39 -0.03 1.78 0.52 -1.26 -4.59 118.95 116.48 3dwo s ARG 43 Ca 0.17 1.84 0.01 0.00 -0.52 0.00 0.00 55.73 57.23 3dwo s ARG 43 Cb -0.04 -3.35 0.02 0.00 0.52 0.00 0.00 34.95 32.10 3dwo s ARG 43 CO 0.11 -0.32 -0.01 0.42 0.02 0.00 0.00 175.30 175.51 3dwo s ILE 44 N 1.22 0.25 -0.07 1.52 1.01 -0.59 -3.48 121.20 121.07 3dwo s ILE 44 Ca 0.60 0.00 0.05 0.00 0.00 0.00 0.00 60.65 61.31 3dwo s ILE 44 Cb -0.31 -0.31 -0.01 0.00 0.01 0.00 0.00 42.46 41.85 3dwo s ILE 44 CO 0.29 0.14 -0.24 0.00 0.00 0.00 0.00 174.94 175.13 3dwo s ALA 45 N 0.76 2.11 -0.07 9.38 0.00 -0.79 -0.98 121.76 132.18 3dwo s ALA 45 Ca -0.08 -1.00 -0.06 0.00 0.00 0.00 0.00 51.96 50.82 3dwo s ALA 45 Cb -0.11 -0.69 0.02 0.00 0.00 0.00 0.00 23.12 22.34 3dwo s ALA 45 CO -0.01 0.37 0.18 -1.14 0.00 0.00 0.00 175.76 175.16 3dwo s GLN 46 N -0.02 0.20 -0.07 0.00 0.74 0.37 -0.17 119.66 120.70 3dwo s GLN 46 Ca -0.07 0.28 0.03 0.00 0.05 0.00 0.00 55.36 55.65 3dwo s GLN 46 Cb -0.15 0.06 0.01 0.00 1.10 0.00 0.00 33.01 34.03 3dwo s GLN 46 CO 0.05 -0.05 -0.17 -1.17 -0.55 0.00 0.00 175.29 173.40 3dwo s LEU 47 N 0.30 1.82 0.01 3.68 2.96 -0.77 -1.17 118.68 125.51 3dwo s LEU 47 Ca -0.02 -0.38 0.07 0.00 -0.22 0.00 0.00 54.13 53.58 3dwo s LEU 47 Cb -0.03 -1.02 -0.02 0.00 0.50 0.00 0.00 46.19 45.62 3dwo s LEU 47 CO -0.01 0.09 -0.22 -0.89 -1.32 0.00 0.00 176.35 174.00 3dwo s THR 48 N 0.45 1.76 -0.11 3.68 2.01 0.86 -1.44 115.64 122.86 3dwo s THR 48 Ca -0.14 -1.08 -0.02 0.00 0.31 0.00 0.00 61.69 60.76 3dwo s THR 48 Cb -0.16 -1.49 0.04 0.00 0.01 0.00 0.00 72.50 70.90 3dwo s THR 48 CO 0.05 0.38 0.02 0.54 -0.69 0.00 0.00 174.62 174.92 3dwo s VAL 49 N -0.64 0.38 0.18 3.82 0.11 -0.36 -0.88 120.40 123.00 3dwo s VAL 49 Ca 0.09 -0.07 0.08 0.00 -2.93 0.00 0.00 61.98 59.14 3dwo s VAL 49 Cb -0.09 -0.66 -0.04 0.00 -1.53 0.00 0.00 36.38 34.06 3dwo s VAL 49 CO 0.00 0.10 -0.02 0.20 -3.33 0.00 0.00 175.10 172.05 3dwo s ASN 50 N 1.96 4.66 -0.16 3.54 0.01 -0.64 -2.32 114.94 121.98 3dwo s ASN 50 Ca 0.03 -0.44 -0.00 0.00 -0.71 0.00 0.00 52.86 51.74 3dwo s ASN 50 Cb -0.14 -0.95 0.04 0.00 0.41 0.00 0.00 41.25 40.61 3dwo s ASN 50 CO -0.06 0.09 -0.06 -0.47 -1.51 0.00 0.00 177.10 175.09 3dwo s TYR 51 N -1.74 1.70 -0.22 2.20 6.14 -0.15 -0.72 117.35 124.56 3dwo s TYR 51 Ca 0.27 -1.04 -0.08 0.00 0.64 0.00 0.00 57.07 56.85 3dwo s TYR 51 Cb -0.09 -1.32 -0.04 0.00 0.42 0.00 0.00 41.96 40.93 3dwo s TYR 51 CO 0.18 -0.60 0.10 0.00 0.64 0.00 0.00 175.55 175.86 3dwo s ALA 52 N 1.63 3.41 -0.32 3.97 0.00 -0.18 -1.63 121.76 128.65 3dwo s ALA 52 Ca 0.02 -0.89 -0.04 0.00 0.00 0.00 0.00 51.96 51.04 3dwo s ALA 52 Cb -0.15 -2.10 0.04 0.00 0.00 0.00 0.00 23.12 20.92 3dwo s ALA 52 CO -0.08 -0.12 0.05 0.34 0.00 0.00 0.00 175.76 175.96 3dwo s ASP 53 N 0.92 5.09 -0.13 0.00 2.15 0.28 -1.35 116.67 123.64 3dwo s ASP 53 Ca 0.05 -1.13 0.01 0.00 0.43 0.00 0.00 52.55 51.91 3dwo s ASP 53 Cb -0.14 -1.80 -0.01 0.00 -0.30 0.00 0.00 42.92 40.68 3dwo s ASP 53 CO 0.03 -0.28 -0.17 -0.63 -0.17 0.00 0.00 175.17 173.95 3dwo s ILE 54 N 1.35 2.68 -0.17 4.11 -1.09 -0.12 -1.30 121.20 126.66 3dwo s ILE 54 Ca -0.03 -0.79 -0.04 0.00 -2.23 0.00 0.00 60.65 57.56 3dwo s ILE 54 Cb -0.19 -2.10 -0.03 0.00 -1.58 0.00 0.00 42.46 38.56 3dwo s ILE 54 CO 0.01 0.53 -0.02 -0.62 -1.23 0.00 0.00 174.94 173.62 3dwo s ASP 55 N 0.47 4.87 -0.04 3.58 2.15 0.92 -1.27 116.67 127.35 3dwo s ASP 55 Ca -0.12 -0.14 0.01 0.00 0.43 0.00 0.00 52.55 52.73 3dwo s ASP 55 Cb -0.16 -1.81 0.02 0.00 -0.30 0.00 0.00 42.92 40.67 3dwo s ASP 55 CO 0.05 0.13 -0.04 -0.63 -0.17 0.00 0.00 175.17 174.52 3dwo s ILE 56 N 0.60 0.46 0.05 4.11 1.01 -1.26 -1.13 121.20 125.04 3dwo s ILE 56 Ca -0.01 -0.08 -0.05 0.00 0.00 0.00 0.00 60.65 60.50 3dwo s ILE 56 Cb -0.14 -0.50 -0.01 0.00 0.01 0.00 0.00 42.46 41.82 3dwo s ILE 56 CO 0.02 0.21 0.10 -0.54 0.00 0.00 0.00 174.94 174.73 3dwo s LYS 57 N 0.93 0.64 0.03 2.79 1.02 -0.30 -1.46 119.74 123.40 3dwo s LYS 57 Ca -0.11 -0.87 0.07 0.00 0.02 0.00 0.00 55.97 55.08 3dwo s LYS 57 Cb -0.14 0.25 -0.02 0.00 -0.52 0.00 0.00 37.83 37.40 3dwo s LYS 57 CO -0.00 -0.17 -0.20 -0.47 -0.92 0.00 0.00 175.35 173.59 3dwo s TYR 58 N -3.07 1.78 -0.07 3.18 6.14 -1.26 -0.90 117.35 123.15 3dwo s TYR 58 Ca -0.01 -0.37 -0.03 0.00 0.64 0.00 0.00 57.07 57.31 3dwo s TYR 58 Cb 0.02 -1.07 0.04 0.00 0.42 0.00 0.00 41.96 41.36 3dwo s TYR 58 CO -0.07 0.07 0.09 1.21 0.64 0.00 0.00 175.55 177.50 3dwo s ASN 59 N -1.07 1.14 0.00 4.32 2.47 -0.70 -4.89 114.94 116.20 3dwo s ASN 59 Ca 0.07 0.09 0.00 0.00 0.42 0.00 0.00 52.86 53.44 3dwo s ASN 59 Cb -0.09 -0.02 0.00 0.00 -1.45 0.00 0.00 41.25 39.69 3dwo s ASN 59 CO 0.01 -0.26 0.00 0.61 -3.72 0.00 0.00 177.10 173.74 3dwo n GLY 60 N 5.31 -0.37 3.64 1.21 0.00 -1.26 -1.34 105.19 112.37 3dwo n GLY 60 Ca -0.04 -1.18 -0.27 0.00 0.00 0.00 0.00 46.02 44.53 3dwo n GLY 60 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3dwo s ASP 61 N -4.00 4.00 -0.09 1.61 1.01 -0.07 -4.96 116.67 114.18 3dwo s ASP 61 Ca 0.00 -1.26 -0.11 0.00 0.71 0.00 0.00 52.55 51.88 3dwo s ASP 61 Cb 0.00 -0.42 0.03 0.00 1.01 0.00 0.00 42.92 43.54 3dwo s ASP 61 CO 0.00 -0.43 0.30 0.00 0.21 0.00 0.00 175.17 175.25 3dwo s ALA 62 N -2.66 -0.74 0.10 5.23 0.00 -1.26 -1.58 121.76 120.84 3dwo s ALA 62 Ca 0.36 0.70 0.04 0.00 0.00 0.00 0.00 51.96 53.06 3dwo s ALA 62 Cb 0.07 -0.35 -0.03 0.00 0.00 0.00 0.00 23.12 22.81 3dwo s ALA 62 CO 0.19 -0.17 -0.11 0.71 0.00 0.00 0.00 175.76 176.37 3dwo s TYR 63 N -0.24 1.14 0.86 0.00 1.51 -0.11 -1.36 117.35 119.16 3dwo s TYR 63 Ca -0.04 -0.60 -0.08 0.00 -1.01 0.00 0.00 57.07 55.35 3dwo s TYR 63 Cb -0.03 -0.62 0.18 0.00 -0.11 0.00 0.00 41.96 41.38 3dwo s TYR 63 CO 0.01 0.04 1.18 0.16 -1.11 0.00 0.00 175.55 175.83 3dwo s ASP 64 N -2.30 3.54 0.40 2.29 1.47 -0.14 -1.92 116.67 120.01 3dwo s ASP 64 Ca 0.04 -0.19 0.27 0.00 1.18 0.00 0.00 52.55 53.85 3dwo s ASP 64 Cb -0.05 0.07 1.42 0.00 -0.34 0.00 0.00 42.92 44.03 3dwo s ASP 64 CO 0.01 -2.42 1.83 0.10 0.68 0.00 0.00 175.17 175.37 3dwo h TYR 65 N -1.15 0.00 -0.38 2.11 -0.00 -1.68 -1.71 116.97 114.16 3dwo h TYR 65 Ca -0.39 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.34 3dwo h TYR 65 Cb 1.24 0.00 0.00 0.00 0.00 0.00 0.00 36.73 37.97 3dwo h TYR 65 CO -0.84 0.00 0.00 1.04 -0.00 0.00 0.00 178.16 178.36 3dwo n GLN 66 N -2.47 2.40 -0.64 0.10 6.02 -1.26 -4.93 117.38 116.60 3dwo n GLN 66 Ca -0.01 -2.12 0.00 0.00 -0.01 0.00 0.00 57.00 54.86 3dwo n GLN 66 Cb 0.08 -1.50 0.00 0.00 1.02 0.00 0.00 30.24 29.85 3dwo n GLN 66 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3dwo n GLY 67 N 1.46 0.77 3.81 1.08 0.00 -0.64 -5.05 105.19 106.61 3dwo n GLY 67 Ca 0.19 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.85 3dwo n GLY 67 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3dwo s ASN 68 N -2.63 7.12 0.45 1.61 0.01 -1.26 -4.79 114.94 115.44 3dwo s ASN 68 Ca 0.00 1.60 -0.25 0.00 -0.71 0.00 0.00 52.86 53.50 3dwo s ASN 68 Cb 0.00 -2.49 -0.08 0.00 0.41 0.00 0.00 41.25 39.08 3dwo s ASN 68 CO 0.00 -0.09 1.43 -2.84 -1.51 0.00 0.00 177.10 174.09 3dwo s PRO 69 N -2.29 3.70 0.60 -0.60 0.02 -1.26 -0.97 135.00 134.20 3dwo s PRO 69 Ca 0.50 2.42 -0.18 0.00 0.02 0.00 0.00 61.00 63.76 3dwo s PRO 69 Cb -0.16 -2.67 -0.03 0.00 0.02 0.00 0.00 34.50 31.66 3dwo s PRO 69 CO 0.21 -0.81 1.16 -1.64 -0.33 0.00 0.00 177.00 175.59 3dwo s MET 70 N -2.44 3.01 0.42 5.54 -1.94 -0.46 -4.70 119.30 118.73 3dwo s MET 70 Ca 0.61 1.67 0.00 0.00 -1.71 0.00 0.00 55.69 56.26 3dwo s MET 70 Cb -0.44 -1.95 -0.00 0.00 2.01 0.00 0.00 34.83 34.45 3dwo s MET 70 CO 0.57 -1.14 0.01 0.25 -0.01 0.00 0.00 175.02 174.70 3dwo n THR 71 N -1.71 0.00 1.08 2.05 -2.24 -1.26 -4.98 114.28 107.22 3dwo n THR 71 Ca 0.12 -2.01 0.10 0.00 -2.27 0.00 0.00 64.05 59.99 3dwo n THR 71 Cb 0.50 0.43 0.33 0.00 -2.10 0.00 0.00 70.33 69.50 3dwo n THR 71 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3dwo n GLY 72 N -0.11 0.49 7.00 3.38 0.00 -1.19 -4.78 105.19 109.98 3dwo n GLY 72 Ca -0.17 -0.45 0.00 0.00 0.00 0.00 0.00 46.02 45.40 3dwo n GLY 72 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3dwo n GLY 73 N 1.17 1.20 3.40 -0.02 0.00 -1.26 -4.45 105.19 105.24 3dwo n GLY 73 Ca 0.16 -0.70 -0.23 0.00 0.00 0.00 0.00 46.02 45.25 3dwo n GLY 73 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3dwo s TYR 74 N 0.00 2.08 0.14 1.61 2.02 -1.25 -1.13 117.35 120.81 3dwo s TYR 74 Ca 0.00 -0.41 -0.20 0.00 -0.37 0.00 0.00 57.07 56.09 3dwo s TYR 74 Cb 0.00 -0.98 0.01 0.00 -0.40 0.00 0.00 41.96 40.58 3dwo s TYR 74 CO 0.00 0.50 1.68 0.37 -1.57 0.00 0.00 175.55 176.53 3dwo h GLN 75 N 2.83 -0.10 -0.52 -0.62 5.75 -1.40 -3.36 115.11 117.71 3dwo h GLN 75 Ca -0.42 0.01 -0.28 0.00 -0.15 0.00 0.00 58.65 57.81 3dwo h GLN 75 Cb 1.23 0.02 -0.30 0.00 1.07 0.00 0.00 27.48 29.49 3dwo h GLN 75 CO 0.54 -0.06 -0.85 -3.47 -2.65 0.00 0.00 178.83 172.34 3dwo n ASP 76 N -5.28 0.21 0.00 -0.69 4.64 -1.26 -4.89 116.55 109.28 3dwo n ASP 76 Ca -0.02 -2.47 0.00 0.00 -1.38 0.00 0.00 54.79 50.92 3dwo n ASP 76 Cb 0.20 0.04 0.00 0.00 -1.04 0.00 0.00 41.12 40.32 3dwo n ASP 76 CO 0.00 0.00 0.00 0.61 -0.82 0.00 0.00 177.20 176.99 3dwo n GLY 77 N -0.46 0.32 3.54 0.27 0.00 -1.26 -2.60 105.19 105.00 3dwo n GLY 77 Ca 0.02 -1.90 -0.44 0.00 0.00 0.00 0.00 46.02 43.71 3dwo n GLY 77 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3dwo n PRO 78 N 0.49 0.99 0.00 1.61 -0.02 -1.26 -2.20 135.00 134.61 3dwo n PRO 78 Ca 0.00 0.35 0.00 0.00 -2.02 0.00 0.00 63.50 61.83 3dwo n PRO 78 Cb 0.00 -1.68 0.00 0.00 -0.02 0.00 0.00 33.50 31.80 3dwo n PRO 78 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3dwo n GLY 79 N 1.45 3.23 3.97 -1.23 0.00 -1.26 -5.04 105.19 106.32 3dwo n GLY 79 Ca 0.11 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.92 3dwo n GLY 79 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3dwo s THR 80 N -2.28 2.89 0.39 2.61 -4.23 -0.93 -5.04 115.64 109.05 3dwo s THR 80 Ca 0.00 -0.67 -0.27 0.00 -1.18 0.00 0.00 61.69 59.57 3dwo s THR 80 Cb 0.00 -3.07 -0.11 0.00 1.34 0.00 0.00 72.50 70.66 3dwo s THR 80 CO 0.00 -0.05 1.37 -0.81 -0.54 0.00 0.00 174.62 174.59 3dwo n PRO 81 N -2.26 2.27 -2.49 3.99 -0.04 -1.26 -4.64 135.00 130.57 3dwo n PRO 81 Ca 0.07 0.80 -0.40 0.00 -0.04 0.00 0.00 63.50 63.93 3dwo n PRO 81 Cb 0.59 -2.50 -0.04 0.00 -0.04 0.00 0.00 33.50 31.51 3dwo n PRO 81 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 3dwo s GLU 82 N -2.14 4.55 0.19 0.54 2.02 -1.26 -1.15 118.70 121.45 3dwo s GLU 82 Ca 0.57 1.75 0.05 0.00 0.02 0.00 0.00 54.97 57.36 3dwo s GLU 82 Cb -0.50 -3.07 -0.04 0.00 0.10 0.00 0.00 34.13 30.62 3dwo s GLU 82 CO 0.61 0.15 0.16 -0.51 0.02 0.00 0.00 175.26 175.69 3dwo s LEU 83 N -1.66 3.83 0.48 1.80 1.43 -0.29 -4.85 118.68 119.42 3dwo s LEU 83 Ca 0.47 -0.15 0.02 0.00 -1.03 0.00 0.00 54.13 53.44 3dwo s LEU 83 Cb -0.30 -2.42 0.01 0.00 0.03 0.00 0.00 46.19 43.52 3dwo s LEU 83 CO 0.38 0.04 0.69 -0.83 0.23 0.00 0.00 176.35 176.87 3dwo s GLY 84 N -3.30 1.71 0.12 -3.19 0.00 -1.26 -3.15 107.32 98.25 3dwo s GLY 84 Ca 0.32 -1.25 0.00 0.00 0.00 0.00 0.00 44.72 43.79 3dwo s GLY 84 CO 0.24 -1.03 0.03 -0.37 0.00 0.00 0.00 173.10 171.96 3dwo n THR 85 N -2.14 0.00 -3.77 0.90 5.66 -1.26 -4.35 114.28 109.31 3dwo n THR 85 Ca 0.05 -0.55 -0.07 0.00 -3.05 0.00 0.00 64.05 60.42 3dwo n THR 85 Cb 0.59 -0.03 0.03 0.00 -1.55 0.00 0.00 70.33 69.36 3dwo n THR 85 CO 0.00 0.00 0.00 -0.46 -3.05 0.00 0.00 175.07 171.56 3dwo n ASN 86 N -1.34 -2.05 -0.16 1.09 0.23 -1.26 -4.93 115.26 106.84 3dwo n ASN 86 Ca -0.04 -2.36 0.06 0.00 -0.53 0.00 0.00 54.58 51.71 3dwo n ASN 86 Cb 0.15 3.41 0.29 0.00 -2.08 0.00 0.00 39.78 41.55 3dwo n ASN 86 CO 0.00 0.00 0.00 -0.90 -0.93 0.00 0.00 177.26 175.43 3dwo n ASP 87 N -1.45 0.47 0.00 0.53 3.85 -1.26 -1.27 116.55 117.42 3dwo n ASP 87 Ca -0.07 -1.73 0.00 0.00 -0.71 0.00 0.00 54.79 52.28 3dwo n ASP 87 Cb 0.56 -0.04 0.00 0.00 -1.35 0.00 0.00 41.12 40.28 3dwo n ASP 87 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 3dwo n GLY 88 N 0.77 3.28 7.00 6.12 0.00 -1.26 -4.40 105.19 116.70 3dwo n GLY 88 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.11 3dwo n GLY 88 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3dwo n GLY 89 N -1.47 -0.56 3.57 -0.02 0.00 -1.26 -1.82 105.19 103.63 3dwo n GLY 89 Ca 0.00 -1.12 -0.43 0.00 0.00 0.00 0.00 46.02 44.47 3dwo n GLY 89 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3dwo s GLN 90 N 0.00 3.54 0.00 1.61 2.00 -1.26 -4.58 119.66 120.97 3dwo s GLN 90 Ca 0.00 0.19 0.23 0.00 -2.00 0.00 0.00 55.36 53.78 3dwo s GLN 90 Cb 0.00 -3.93 0.60 0.00 0.80 0.00 0.00 33.01 30.48 3dwo s GLN 90 CO 0.00 -1.24 1.49 0.00 -0.50 0.00 0.00 175.29 175.03 3dwo n ALA 91 N 7.23 2.49 -1.15 1.58 0.00 -0.54 -4.88 120.51 125.25 3dwo n ALA 91 Ca 0.07 -0.68 -0.08 0.00 0.00 0.00 0.00 53.44 52.75 3dwo n ALA 91 Cb 0.49 -0.99 0.09 0.00 0.00 0.00 0.00 19.45 19.04 3dwo n ALA 91 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3dwo n GLY 92 N 1.29 -2.07 3.69 0.00 0.00 -1.25 -1.85 105.19 105.00 3dwo n GLY 92 Ca 0.17 -1.55 -0.11 0.00 0.00 0.00 0.00 46.02 44.53 3dwo n GLY 92 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3dwo s PHE 93 N -1.88 0.49 -0.03 1.61 -0.71 -0.39 -4.76 117.98 112.31 3dwo s PHE 93 Ca 0.27 -1.01 0.01 0.00 -1.04 0.00 0.00 56.93 55.17 3dwo s PHE 93 Cb -0.02 0.51 0.01 0.00 -1.21 0.00 0.00 43.02 42.31 3dwo s PHE 93 CO 0.20 -1.43 -0.05 0.20 -1.34 0.00 0.00 175.22 172.80 3dwo s GLY 94 N -3.14 0.38 0.02 1.99 0.00 -1.26 -0.94 107.32 104.38 3dwo s GLY 94 Ca 0.21 -0.10 -0.10 0.00 0.00 0.00 0.00 44.72 44.74 3dwo s GLY 94 CO 0.15 0.24 0.20 0.00 0.00 0.00 0.00 173.10 173.69 3dwo s ALA 95 N 0.58 -0.42 -0.12 3.20 0.00 -0.45 -4.98 121.76 119.57 3dwo s ALA 95 Ca -0.07 -0.15 -0.08 0.00 0.00 0.00 0.00 51.96 51.66 3dwo s ALA 95 Cb -0.11 0.21 -0.04 0.00 0.00 0.00 0.00 23.12 23.18 3dwo s ALA 95 CO -0.00 -0.31 0.16 -1.58 0.00 0.00 0.00 175.76 174.04 3dwo s TRP 96 N -2.07 3.58 -0.25 0.00 0.52 -1.26 -1.01 118.94 118.45 3dwo s TRP 96 Ca -0.09 0.54 -0.02 0.00 0.02 0.00 0.00 56.10 56.55 3dwo s TRP 96 Cb -0.03 -2.00 0.08 0.00 -1.15 0.00 0.00 33.47 30.37 3dwo s TRP 96 CO -0.01 0.67 0.08 -0.51 0.02 0.00 0.00 176.95 177.20 3dwo s LEU 97 N -0.83 1.36 0.51 2.99 1.02 0.10 -4.98 118.68 118.85 3dwo s LEU 97 Ca 0.15 -1.19 -0.11 0.00 0.02 0.00 0.00 54.13 53.00 3dwo s LEU 97 Cb -0.12 -0.62 -0.06 0.00 0.02 0.00 0.00 46.19 45.41 3dwo s LEU 97 CO 0.04 -0.37 0.91 -2.16 0.02 0.00 0.00 176.35 174.79 3dwo s PRO 98 N 1.84 3.73 -0.21 1.29 0.04 -1.26 -1.62 135.00 138.81 3dwo s PRO 98 Ca 0.05 0.64 -0.15 0.00 0.04 0.00 0.00 61.00 61.58 3dwo s PRO 98 Cb -0.17 -2.22 0.06 0.00 0.04 0.00 0.00 34.50 32.21 3dwo s PRO 98 CO -0.20 -0.29 0.53 0.99 0.04 0.00 0.00 177.00 178.07 3dwo s THR 99 N -2.75 -0.01 -0.01 1.26 2.01 -0.06 -4.62 115.64 111.47 3dwo s THR 99 Ca 0.54 0.03 0.03 0.00 0.31 0.00 0.00 61.69 62.60 3dwo s THR 99 Cb -0.10 -0.76 -0.01 0.00 0.01 0.00 0.00 72.50 71.63 3dwo s THR 99 CO 0.40 0.01 -0.11 -0.83 -0.69 0.00 0.00 174.62 173.40 3dwo s GLY 100 N 0.96 0.56 -0.01 4.40 0.00 -0.44 -0.09 107.32 112.70 3dwo s GLY 100 Ca -0.05 -0.50 0.02 0.00 0.00 0.00 0.00 44.72 44.18 3dwo s GLY 100 CO -0.08 -0.42 -0.05 -1.36 0.00 0.00 0.00 173.10 171.18 3dwo s PHE 101 N -0.30 0.47 -0.03 1.90 0.08 -0.32 -0.76 117.98 119.03 3dwo s PHE 101 Ca 0.04 -0.09 -0.01 0.00 0.12 0.00 0.00 56.93 56.99 3dwo s PHE 101 Cb -0.05 -0.31 0.03 0.00 -0.57 0.00 0.00 43.02 42.12 3dwo s PHE 101 CO -0.00 -0.01 0.04 -1.17 -0.10 0.00 0.00 175.22 173.97 3dwo s LEU 102 N -0.09 0.79 -0.10 -0.37 2.96 0.54 -0.48 118.68 121.93 3dwo s LEU 102 Ca 0.02 0.05 0.02 0.00 -0.22 0.00 0.00 54.13 54.00 3dwo s LEU 102 Cb -0.02 -0.09 0.01 0.00 0.50 0.00 0.00 46.19 46.59 3dwo s LEU 102 CO -0.00 -0.17 -0.16 -0.69 -1.32 0.00 0.00 176.35 174.01 3dwo s VAL 103 N 1.41 1.55 -0.30 1.68 1.01 -0.15 -0.83 120.40 124.76 3dwo s VAL 103 Ca -0.05 -0.68 -0.00 0.00 0.00 0.00 0.00 61.98 61.25 3dwo s VAL 103 Cb -0.13 -1.40 0.10 0.00 0.00 0.00 0.00 36.38 34.95 3dwo s VAL 103 CO -0.03 0.45 0.08 -0.69 0.00 0.00 0.00 175.10 174.91 3dwo s VAL 104 N 0.86 1.04 0.21 2.92 1.01 0.24 -1.54 120.40 125.14 3dwo s VAL 104 Ca -0.09 -1.44 -0.31 0.00 0.00 0.00 0.00 61.98 60.15 3dwo s VAL 104 Cb -0.15 -1.74 -0.10 0.00 0.00 0.00 0.00 36.38 34.38 3dwo s VAL 104 CO 0.00 -0.61 1.52 -2.16 0.00 0.00 0.00 175.10 173.86 3dwo s PRO 105 N 1.54 4.22 -0.09 2.72 0.04 -1.26 -0.70 135.00 141.48 3dwo s PRO 105 Ca 0.08 2.36 -0.06 0.00 0.04 0.00 0.00 61.00 63.42 3dwo s PRO 105 Cb -0.17 -3.12 -0.02 0.00 0.04 0.00 0.00 34.50 31.22 3dwo s PRO 105 CO -0.21 -0.54 -0.12 -0.89 0.04 0.00 0.00 177.00 175.28 3dwo n ILE 106 N 3.14 0.82 -4.37 0.56 5.41 0.29 -4.88 119.36 120.33 3dwo n ILE 106 Ca 0.10 0.33 -0.16 0.00 1.00 0.00 0.00 62.75 64.02 3dwo n ILE 106 Cb 0.39 -2.01 -0.04 0.00 -0.71 0.00 0.00 39.64 37.28 3dwo n ILE 106 CO 0.00 0.00 0.00 0.59 0.00 0.00 0.00 176.55 177.14 3dwo n ASN 107 N -3.61 2.45 -0.14 4.38 3.02 -0.47 -4.94 115.26 115.95 3dwo n ASN 107 Ca -0.05 -2.16 0.00 0.00 -0.03 0.00 0.00 54.58 52.34 3dwo n ASN 107 Cb 0.18 0.25 0.01 0.00 -0.61 0.00 0.00 39.78 39.61 3dwo n ASN 107 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 3dwo n ASP 108 N -1.27 0.32 0.00 6.41 2.03 -1.26 -3.02 116.55 119.76 3dwo n ASP 108 Ca -0.10 -2.00 0.00 0.00 0.52 0.00 0.00 54.79 53.21 3dwo n ASP 108 Cb 0.33 -0.12 0.00 0.00 -0.72 0.00 0.00 41.12 40.61 3dwo n ASP 108 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 3dwo n ARG 109 N -0.35 3.93 -4.67 -0.67 5.12 -1.26 -4.88 116.66 113.88 3dwo n ARG 109 Ca 0.01 0.00 -0.25 0.00 -1.93 0.00 0.00 57.85 55.67 3dwo n ARG 109 Cb 0.07 -0.65 -0.14 0.00 -1.16 0.00 0.00 32.46 30.58 3dwo n ARG 109 CO 0.00 0.00 0.00 -0.06 -1.93 0.00 0.00 177.63 175.64 3dwo s PHE 110 N -0.67 1.79 0.03 -1.55 0.08 -1.17 -1.30 117.98 115.20 3dwo s PHE 110 Ca 0.00 -0.37 0.01 0.00 0.12 0.00 0.00 56.93 56.69 3dwo s PHE 110 Cb 0.00 -1.08 -0.02 0.00 -0.57 0.00 0.00 43.02 41.35 3dwo s PHE 110 CO 0.00 0.07 -0.05 0.00 -0.10 0.00 0.00 175.22 175.14 3dwo s ALA 111 N -0.76 0.34 -0.04 5.36 0.00 -1.13 0.10 121.76 125.63 3dwo s ALA 111 Ca 0.07 -0.69 0.05 0.00 0.00 0.00 0.00 51.96 51.40 3dwo s ALA 111 Cb -0.09 0.11 -0.02 0.00 0.00 0.00 0.00 23.12 23.12 3dwo s ALA 111 CO 0.01 -0.10 -0.20 0.12 0.00 0.00 0.00 175.76 175.59 3dwo s PHE 112 N -1.50 2.54 -0.02 0.00 5.36 0.12 -1.94 117.98 122.54 3dwo s PHE 112 Ca -0.13 -0.36 0.05 0.00 -0.96 0.00 0.00 56.93 55.53 3dwo s PHE 112 Cb -0.09 -1.59 -0.01 0.00 -0.34 0.00 0.00 43.02 40.98 3dwo s PHE 112 CO -0.01 0.03 -0.16 0.20 -1.46 0.00 0.00 175.22 173.82 3dwo s GLY 113 N -0.55 0.82 0.01 13.12 0.00 0.17 -0.60 107.32 120.30 3dwo s GLY 113 Ca 0.08 -0.68 0.03 0.00 0.00 0.00 0.00 44.72 44.15 3dwo s GLY 113 CO 0.01 -0.50 -0.11 1.08 0.00 0.00 0.00 173.10 173.58 3dwo s LEU 114 N -0.24 2.10 0.02 0.66 1.02 -0.01 0.05 118.68 122.27 3dwo s LEU 114 Ca 0.03 -0.31 -0.28 0.00 0.02 0.00 0.00 54.13 53.60 3dwo s LEU 114 Cb -0.08 -0.49 0.08 0.00 0.02 0.00 0.00 46.19 45.73 3dwo s LEU 114 CO 0.00 0.05 0.74 -0.94 0.02 0.00 0.00 176.35 176.22 3dwo s SER 115 N -0.69 -0.53 -0.18 2.29 1.04 -1.00 -0.34 113.70 114.30 3dwo s SER 115 Ca 0.01 0.27 0.01 0.00 0.48 0.00 0.00 55.95 56.72 3dwo s SER 115 Cb -0.06 0.50 0.01 0.00 0.10 0.00 0.00 66.02 66.57 3dwo s SER 115 CO 0.00 -0.71 -0.18 -1.58 0.98 0.00 0.00 173.24 171.75 3dwo s GLN 116 N -2.50 3.05 0.24 4.02 -0.44 0.06 -0.07 119.66 124.01 3dwo s GLN 116 Ca -0.02 -0.81 0.04 0.00 -2.50 0.00 0.00 55.36 52.07 3dwo s GLN 116 Cb -0.01 -2.59 -0.05 0.00 -1.64 0.00 0.00 33.01 28.72 3dwo s GLN 116 CO -0.03 -0.16 -0.02 0.08 0.50 0.00 0.00 175.29 175.66 3dwo s VAL 117 N 1.20 1.15 -0.53 1.34 1.01 0.36 -1.32 120.40 123.60 3dwo s VAL 117 Ca 0.02 -2.05 0.04 0.00 0.00 0.00 0.00 61.98 59.99 3dwo s VAL 117 Cb -0.14 -2.36 0.16 0.00 0.00 0.00 0.00 36.38 34.05 3dwo s VAL 117 CO -0.09 -0.33 0.36 -0.69 0.00 0.00 0.00 175.10 174.35 3dwo s VAL 118 N -3.34 1.64 0.31 2.92 1.01 -1.26 -0.17 120.40 121.50 3dwo s VAL 118 Ca 0.28 -3.23 0.03 0.00 0.00 0.00 0.00 61.98 59.06 3dwo s VAL 118 Cb 0.05 -2.11 0.12 0.00 0.00 0.00 0.00 36.38 34.44 3dwo s VAL 118 CO 0.09 -1.04 1.80 -0.65 0.00 0.00 0.00 175.10 175.30 3dwo h PRO 119 N 5.90 0.55 -5.23 2.72 0.11 -1.79 -3.41 132.00 130.84 3dwo h PRO 119 Ca 0.13 -0.15 -0.45 0.00 0.11 0.00 0.00 66.00 65.64 3dwo h PRO 119 Cb 0.86 -0.06 -0.27 0.00 0.11 0.00 0.00 31.00 31.64 3dwo h PRO 119 CO 0.54 0.64 -0.80 1.41 -0.21 0.00 0.00 178.00 179.58 3dwo s MET 120 N -4.81 0.98 -0.30 1.05 1.75 -1.24 -0.11 119.30 116.62 3dwo s MET 120 Ca -0.08 -0.62 -0.16 0.00 -1.25 0.00 0.00 55.69 53.58 3dwo s MET 120 Cb 0.15 -0.96 0.21 0.00 2.84 0.00 0.00 34.83 37.06 3dwo s MET 120 CO 0.78 0.25 1.25 0.20 -0.65 0.00 0.00 175.02 176.85 3dwo s GLY 121 N -0.77 0.59 0.03 2.11 0.00 -0.00 -0.27 107.32 109.01 3dwo s GLY 121 Ca 0.03 3.81 -0.27 0.00 0.00 0.00 0.00 44.72 48.28 3dwo s GLY 121 CO 0.00 2.78 0.76 -0.29 0.00 0.00 0.00 173.10 176.36 3dwo s MET 122 N 1.09 1.01 -0.27 2.90 1.75 -0.28 -4.63 119.30 120.87 3dwo s MET 122 Ca -0.08 -0.21 -0.23 0.00 -1.25 0.00 0.00 55.69 53.92 3dwo s MET 122 Cb -0.02 0.47 0.07 0.00 2.84 0.00 0.00 34.83 38.19 3dwo s MET 122 CO -0.10 -0.41 0.72 0.50 -0.65 0.00 0.00 175.02 175.08 3dwo s ARG 123 N -2.77 0.81 -0.19 4.11 3.52 -1.26 -1.45 118.95 121.73 3dwo s ARG 123 Ca -0.00 1.04 -0.10 0.00 -0.13 0.00 0.00 55.73 56.54 3dwo s ARG 123 Cb -0.01 0.36 0.07 0.00 -1.56 0.00 0.00 34.95 33.81 3dwo s ARG 123 CO -0.06 -0.11 0.45 -1.54 -0.81 0.00 0.00 175.30 173.23 3dwo s SER 124 N 0.61 -0.53 -0.25 -2.12 1.04 -0.27 -4.74 113.70 107.44 3dwo s SER 124 Ca -0.02 0.99 -0.01 0.00 0.48 0.00 0.00 55.95 57.39 3dwo s SER 124 Cb -0.05 0.95 0.08 0.00 0.10 0.00 0.00 66.02 67.09 3dwo s SER 124 CO -0.03 -0.20 0.04 0.42 0.98 0.00 0.00 173.24 174.44 3dwo s THR 125 N 1.63 0.90 0.18 2.02 -4.23 -0.77 -0.53 115.64 114.85 3dwo s THR 125 Ca -0.08 -1.05 -0.07 0.00 -1.18 0.00 0.00 61.69 59.31 3dwo s THR 125 Cb -0.09 -1.46 -0.06 0.00 1.34 0.00 0.00 72.50 72.23 3dwo s THR 125 CO -0.14 -0.37 0.45 0.26 -0.54 0.00 0.00 174.62 174.29 3dwo s TRP 126 N 1.65 3.45 0.14 3.99 0.52 0.69 -4.14 118.94 125.24 3dwo s TRP 126 Ca 0.02 0.70 -0.35 0.00 0.02 0.00 0.00 56.10 56.50 3dwo s TRP 126 Cb -0.18 -2.12 -0.15 0.00 -1.15 0.00 0.00 33.47 29.87 3dwo s TRP 126 CO -0.14 0.36 1.48 -3.47 0.02 0.00 0.00 176.95 175.20 3dwo n ASP 127 N 0.01 2.52 -0.28 2.95 -0.08 -0.75 -4.70 116.55 116.21 3dwo n ASP 127 Ca -0.01 1.10 0.31 0.00 -1.51 0.00 0.00 54.79 54.68 3dwo n ASP 127 Cb 0.52 -1.34 0.70 0.00 2.34 0.00 0.00 41.12 43.35 3dwo n ASP 127 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 3dwo h PRO 128 N 5.31 0.07 -0.42 -0.67 0.11 -1.93 -1.27 132.00 133.20 3dwo h PRO 128 Ca -0.46 -0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.64 3dwo h PRO 128 Cb 1.29 -0.01 -0.00 0.00 0.11 0.00 0.00 31.00 32.38 3dwo h PRO 128 CO 0.84 0.04 0.01 -1.71 -0.21 0.00 0.00 178.00 176.97 3dwo n ASN 129 N -4.28 4.76 -4.76 -2.05 5.15 -1.26 -4.82 115.26 108.00 3dwo n ASN 129 Ca 0.24 -3.00 -0.31 0.00 -0.60 0.00 0.00 54.58 50.91 3dwo n ASN 129 Cb 1.11 -0.62 0.10 0.00 -0.53 0.00 0.00 39.78 39.84 3dwo n ASN 129 CO 0.00 0.00 0.00 -1.66 1.40 0.00 0.00 177.26 177.00 3dwo s TRP 130 N -2.82 2.58 0.64 1.20 1.48 -0.48 -4.02 118.94 117.52 3dwo s TRP 130 Ca 0.48 1.44 0.38 0.00 -1.06 0.00 0.00 56.10 57.34 3dwo s TRP 130 Cb 0.38 -3.06 2.11 0.00 -1.16 0.00 0.00 33.47 31.73 3dwo s TRP 130 CO 0.12 -1.90 2.26 1.57 -4.06 0.00 0.00 176.95 174.94 3dwo h LYS 131 N -1.20 0.00 -0.52 3.25 2.10 -1.52 -1.36 116.57 117.32 3dwo h LYS 131 Ca -0.45 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.20 3dwo h LYS 131 Cb 1.24 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.57 3dwo h LYS 131 CO 0.53 0.00 0.00 0.41 -2.00 0.00 0.00 179.45 178.39 3dwo n GLY 132 N -1.19 3.18 0.32 0.07 0.00 -1.26 -4.63 105.19 101.67 3dwo n GLY 132 Ca -0.02 -0.93 0.17 0.00 0.00 0.00 0.00 46.02 45.23 3dwo n GLY 132 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 3dwo h ARG 133 N 3.53 0.00 0.00 1.61 0.11 -1.40 -0.27 114.38 117.95 3dwo h ARG 133 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 3dwo h ARG 133 Cb 1.78 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.86 3dwo h ARG 133 CO 0.39 0.00 0.00 -0.25 0.10 0.00 0.00 179.97 180.21 3dwo n ASP 134 N -3.66 0.04 -0.06 0.08 8.00 -1.26 -1.02 116.55 118.67 3dwo n ASP 134 Ca -0.02 0.51 -0.06 0.00 0.71 0.00 0.00 54.79 55.93 3dwo n ASP 134 Cb 0.15 -0.52 -0.08 0.00 -0.02 0.00 0.00 41.12 40.65 3dwo n ASP 134 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 3dwo n PHE 135 N -1.55 0.00 -3.62 1.24 3.01 -0.16 -4.64 117.46 111.74 3dwo n PHE 135 Ca 0.05 0.00 -0.06 0.00 1.01 0.00 0.00 57.45 58.45 3dwo n PHE 135 Cb 0.23 -0.54 -0.05 0.00 -0.01 0.00 0.00 39.48 39.11 3dwo n PHE 135 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3dwo s ALA 136 N -2.27 -2.07 0.00 4.37 0.00 -0.94 -4.86 121.76 115.99 3dwo s ALA 136 Ca -0.08 1.76 0.00 0.00 0.00 0.00 0.00 51.96 53.64 3dwo s ALA 136 Cb 0.04 -1.34 0.00 0.00 0.00 0.00 0.00 23.12 21.82 3dwo s ALA 136 CO 0.42 -0.23 0.00 0.28 0.00 0.00 0.00 175.76 176.23 3dwo n VAL 137 N 1.04 0.00 -4.72 0.00 0.31 -0.96 -4.16 118.33 109.83 3dwo n VAL 137 Ca -0.07 0.00 -0.32 0.00 -0.01 0.00 0.00 64.34 63.94 3dwo n VAL 137 Cb 0.58 -0.46 -0.12 0.00 -0.91 0.00 0.00 33.84 32.92 3dwo n VAL 137 CO 0.00 0.00 0.00 -1.81 -1.32 0.00 0.00 176.83 173.70 3dwo s ASP 138 N -0.53 4.07 -0.05 4.52 1.01 -1.21 -0.23 116.67 124.25 3dwo s ASP 138 Ca 0.00 -0.27 -0.02 0.00 0.71 0.00 0.00 52.55 52.97 3dwo s ASP 138 Cb 0.00 -0.81 0.04 0.00 1.01 0.00 0.00 42.92 43.16 3dwo s ASP 138 CO 0.00 0.30 0.09 -0.89 0.21 0.00 0.00 175.17 174.88 3dwo s THR 139 N -0.85 -0.13 -0.04 -1.27 2.01 0.31 -1.26 115.64 114.40 3dwo s THR 139 Ca 0.14 0.34 -0.01 0.00 0.31 0.00 0.00 61.69 62.46 3dwo s THR 139 Cb -0.11 -0.19 0.03 0.00 0.01 0.00 0.00 72.50 72.25 3dwo s THR 139 CO 0.04 0.14 0.06 -0.75 -0.69 0.00 0.00 174.62 173.42 3dwo s LYS 140 N 1.86 -0.04 -0.02 4.92 2.47 -0.28 -1.12 119.74 127.53 3dwo s LYS 140 Ca -0.00 0.32 0.00 0.00 -1.56 0.00 0.00 55.97 54.73 3dwo s LYS 140 Cb -0.12 -0.36 0.03 0.00 -1.46 0.00 0.00 37.83 35.91 3dwo s LYS 140 CO -0.04 -0.25 0.02 0.42 0.16 0.00 0.00 175.35 175.66 3dwo s ILE 141 N 1.68 -0.01 -0.14 5.43 1.09 -0.53 -0.30 121.20 128.42 3dwo s ILE 141 Ca -0.02 0.16 -0.10 0.00 -1.10 0.00 0.00 60.65 59.59 3dwo s ILE 141 Cb -0.12 -0.11 0.05 0.00 -1.06 0.00 0.00 42.46 41.22 3dwo s ILE 141 CO -0.03 0.09 0.36 -0.70 -0.10 0.00 0.00 174.94 174.56 3dwo s GLU 142 N 0.92 0.38 -0.11 2.79 2.12 -0.91 -1.13 118.70 122.76 3dwo s GLU 142 Ca -0.08 0.62 0.01 0.00 0.36 0.00 0.00 54.97 55.88 3dwo s GLU 142 Cb -0.11 0.07 0.02 0.00 0.26 0.00 0.00 34.13 34.36 3dwo s GLU 142 CO -0.02 -0.11 -0.14 0.99 -0.54 0.00 0.00 175.26 175.44 3dwo s THR 143 N 0.81 1.44 -0.05 -1.70 2.01 0.63 -1.46 115.64 117.31 3dwo s THR 143 Ca -0.05 -0.60 0.05 0.00 0.31 0.00 0.00 61.69 61.40 3dwo s THR 143 Cb -0.06 -1.33 -0.01 0.00 0.01 0.00 0.00 72.50 71.12 3dwo s THR 143 CO -0.06 0.43 -0.22 -0.63 -0.69 0.00 0.00 174.62 173.45 3dwo s ILE 144 N 1.07 1.83 0.07 1.82 1.01 -0.43 -2.88 121.20 123.70 3dwo s ILE 144 Ca -0.05 -0.94 0.05 0.00 0.00 0.00 0.00 60.65 59.71 3dwo s ILE 144 Cb -0.15 -1.56 -0.03 0.00 0.01 0.00 0.00 42.46 40.74 3dwo s ILE 144 CO -0.03 0.51 -0.15 -0.83 0.00 0.00 0.00 174.94 174.45 3dwo s GLY 145 N -0.07 0.87 -0.13 6.18 0.00 0.76 -1.27 107.32 113.65 3dwo s GLY 145 Ca -0.04 -0.98 -0.02 0.00 0.00 0.00 0.00 44.72 43.67 3dwo s GLY 145 CO 0.03 -1.00 -0.06 1.08 0.00 0.00 0.00 173.10 173.15 3dwo s LEU 146 N -1.65 3.13 0.16 0.66 1.43 -0.47 -0.49 118.68 121.44 3dwo s LEU 146 Ca -0.01 -0.14 0.09 0.00 -1.03 0.00 0.00 54.13 53.04 3dwo s LEU 146 Cb -0.10 -1.73 -0.04 0.00 0.03 0.00 0.00 46.19 44.35 3dwo s LEU 146 CO 0.02 0.21 -0.20 -0.89 0.23 0.00 0.00 176.35 175.72 3dwo s THR 147 N 0.09 1.92 -0.03 5.49 2.01 0.89 -0.58 115.64 125.44 3dwo s THR 147 Ca -0.02 -1.87 -0.00 0.00 0.31 0.00 0.00 61.69 60.11 3dwo s THR 147 Cb -0.14 -1.86 0.03 0.00 0.01 0.00 0.00 72.50 70.55 3dwo s THR 147 CO 0.03 -0.22 0.03 -0.83 -0.69 0.00 0.00 174.62 172.94 3dwo s GLY 148 N -2.52 0.15 0.13 4.40 0.00 -0.79 -2.36 107.32 106.32 3dwo s GLY 148 Ca 0.15 0.26 -0.01 0.00 0.00 0.00 0.00 44.72 45.11 3dwo s GLY 148 CO 0.07 0.80 0.06 -1.35 0.00 0.00 0.00 173.10 172.67 3dwo s SER 149 N 1.25 0.31 0.00 1.64 1.04 0.11 -1.04 113.70 117.02 3dwo s SER 149 Ca -0.07 -1.19 0.00 0.00 0.48 0.00 0.00 55.95 55.18 3dwo s SER 149 Cb -0.13 0.29 -0.00 0.00 0.10 0.00 0.00 66.02 66.28 3dwo s SER 149 CO -0.03 -0.73 -0.02 -0.22 0.98 0.00 0.00 173.24 173.23 3dwo s LEU 150 N -3.04 2.04 0.07 2.42 2.96 0.54 -0.65 118.68 123.02 3dwo s LEU 150 Ca 0.23 -0.11 0.09 0.00 -0.22 0.00 0.00 54.13 54.12 3dwo s LEU 150 Cb 0.07 -0.04 -0.03 0.00 0.50 0.00 0.00 46.19 46.69 3dwo s LEU 150 CO 0.01 -0.04 -0.23 -0.94 -1.32 0.00 0.00 176.35 173.83 3dwo s SER 151 N -0.28 2.83 -0.11 3.68 1.04 -0.82 -1.19 113.70 118.85 3dwo s SER 151 Ca -0.02 -0.61 -0.01 0.00 0.48 0.00 0.00 55.95 55.79 3dwo s SER 151 Cb -0.02 -0.22 0.03 0.00 0.10 0.00 0.00 66.02 65.91 3dwo s SER 151 CO -0.00 0.17 -0.06 0.12 0.98 0.00 0.00 173.24 174.45 3dwo s PHE 152 N -0.91 1.33 -0.28 5.02 2.19 0.08 -2.82 117.98 122.59 3dwo s PHE 152 Ca 0.10 -0.64 -0.26 0.00 0.33 0.00 0.00 56.93 56.45 3dwo s PHE 152 Cb -0.10 -1.15 0.01 0.00 -1.31 0.00 0.00 43.02 40.47 3dwo s PHE 152 CO 0.03 -0.48 0.92 0.21 1.83 0.00 0.00 175.22 177.73 3dwo s LYS 153 N 1.76 4.10 -0.15 10.12 2.20 -0.42 -1.23 119.74 136.11 3dwo s LYS 153 Ca 0.05 0.95 -0.21 0.00 -0.36 0.00 0.00 55.97 56.40 3dwo s LYS 153 Cb -0.13 -3.69 -0.24 0.00 -1.51 0.00 0.00 37.83 32.26 3dwo s LYS 153 CO -0.08 -0.69 0.47 0.28 -0.36 0.00 0.00 175.35 174.98 3dwo h VAL 154 N 5.57 1.17 -3.72 4.02 2.07 -1.58 -3.47 116.25 120.31 3dwo h VAL 154 Ca -0.22 -2.30 -0.28 0.00 0.82 0.00 0.00 66.70 64.72 3dwo h VAL 154 Cb 1.08 2.69 -0.07 0.00 -1.52 0.00 0.00 31.29 33.47 3dwo h VAL 154 CO 0.94 0.53 -0.25 0.59 0.02 0.00 0.00 177.57 179.39 3dwo n ASN 155 N -4.29 0.17 -0.49 0.57 3.02 -0.43 -4.98 115.26 108.83 3dwo n ASN 155 Ca -0.24 -2.19 0.10 0.00 -0.03 0.00 0.00 54.58 52.22 3dwo n ASN 155 Cb 0.71 0.78 0.39 0.00 -0.61 0.00 0.00 39.78 41.05 3dwo n ASN 155 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 3dwo n ASP 156 N -2.09 1.46 0.00 6.41 8.00 -1.26 -3.44 116.55 125.63 3dwo n ASP 156 Ca 0.01 -1.68 0.00 0.00 0.71 0.00 0.00 54.79 53.84 3dwo n ASP 156 Cb 0.33 -0.09 0.00 0.00 -0.02 0.00 0.00 41.12 41.34 3dwo n ASP 156 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 3dwo n ASN 157 N 0.19 0.65 -3.67 -2.24 3.02 -1.26 -4.85 115.26 107.09 3dwo n ASN 157 Ca 0.16 -1.06 -0.14 0.00 -0.03 0.00 0.00 54.58 53.51 3dwo n ASN 157 Cb 0.30 0.00 -0.08 0.00 -0.61 0.00 0.00 39.78 39.38 3dwo n ASN 157 CO 0.00 0.00 0.00 0.12 -2.62 0.00 0.00 177.26 174.76 3dwo s PHE 158 N -0.06 -0.57 0.15 3.10 5.36 -1.22 -0.62 117.98 124.12 3dwo s PHE 158 Ca 0.00 1.31 -0.14 0.00 -0.96 0.00 0.00 56.93 57.14 3dwo s PHE 158 Cb 0.00 0.22 0.02 0.00 -0.34 0.00 0.00 43.02 42.92 3dwo s PHE 158 CO 0.00 -0.34 0.40 -1.54 -1.46 0.00 0.00 175.22 172.28 3dwo s SER 159 N -0.05 -0.15 0.24 6.13 1.04 -0.75 -1.32 113.70 118.84 3dwo s SER 159 Ca -0.03 -0.53 0.07 0.00 0.48 0.00 0.00 55.95 55.94 3dwo s SER 159 Cb -0.03 0.49 -0.05 0.00 0.10 0.00 0.00 66.02 66.52 3dwo s SER 159 CO 0.02 -0.92 -0.10 -0.76 0.98 0.00 0.00 173.24 172.47 3dwo s LEU 160 N -2.87 2.50 0.00 2.42 1.43 -0.37 -1.77 118.68 120.03 3dwo s LEU 160 Ca 0.08 -1.11 -0.18 0.00 -1.03 0.00 0.00 54.13 51.90 3dwo s LEU 160 Cb 0.01 -0.62 0.03 0.00 0.03 0.00 0.00 46.19 45.64 3dwo s LEU 160 CO -0.06 -0.27 0.39 -0.83 0.23 0.00 0.00 176.35 175.80 3dwo s GLY 161 N -3.37 -0.24 -0.03 -3.19 0.00 0.16 -0.75 107.32 99.91 3dwo s GLY 161 Ca 0.26 0.41 -0.18 0.00 0.00 0.00 0.00 44.72 45.21 3dwo s GLY 161 CO 0.09 0.17 0.39 0.00 0.00 0.00 0.00 173.10 173.74 3dwo s ALA 162 N -1.77 -0.98 0.26 3.20 0.00 -0.33 -1.11 121.76 121.02 3dwo s ALA 162 Ca -0.10 0.56 -0.20 0.00 0.00 0.00 0.00 51.96 52.22 3dwo s ALA 162 Cb -0.03 0.02 0.02 0.00 0.00 0.00 0.00 23.12 23.14 3dwo s ALA 162 CO 0.02 -0.28 0.66 0.20 0.00 0.00 0.00 175.76 176.37 3dwo s GLY 163 N -1.22 -0.09 -0.01 0.00 0.00 -0.36 -0.34 107.32 105.30 3dwo s GLY 163 Ca -0.12 -0.27 0.05 0.00 0.00 0.00 0.00 44.72 44.38 3dwo s GLY 163 CO 0.05 -0.13 -0.17 0.54 0.00 0.00 0.00 173.10 173.39 3dwo s VAL 164 N -3.91 1.36 -0.10 1.40 0.11 -0.21 -2.23 120.40 116.82 3dwo s VAL 164 Ca 0.11 -0.77 0.04 0.00 -2.93 0.00 0.00 61.98 58.43 3dwo s VAL 164 Cb -0.04 -1.13 0.00 0.00 -1.53 0.00 0.00 36.38 33.67 3dwo s VAL 164 CO 0.04 0.36 -0.22 -0.51 -3.33 0.00 0.00 175.10 171.44 3dwo s ILE 165 N -0.44 1.95 -0.38 7.04 2.07 0.70 -1.89 121.20 130.25 3dwo s ILE 165 Ca 0.06 -0.95 -0.14 0.00 -1.41 0.00 0.00 60.65 58.22 3dwo s ILE 165 Cb -0.07 -1.70 0.01 0.00 0.13 0.00 0.00 42.46 40.83 3dwo s ILE 165 CO -0.00 0.53 0.27 -0.63 -1.91 0.00 0.00 174.94 173.20 3dwo s ILE 166 N 0.45 5.22 -0.06 2.00 -1.09 0.25 -0.03 121.20 127.93 3dwo s ILE 166 Ca -0.17 -0.49 -0.01 0.00 -2.23 0.00 0.00 60.65 57.75 3dwo s ILE 166 Cb -0.17 -3.81 -0.03 0.00 -1.58 0.00 0.00 42.46 36.86 3dwo s ILE 166 CO 0.07 -0.18 0.03 -1.58 -1.23 0.00 0.00 174.94 172.05 3dwo s GLN 167 N 1.69 3.00 -0.13 2.79 -0.44 -0.07 -1.37 119.66 125.13 3dwo s GLN 167 Ca 0.05 -0.43 0.00 0.00 -2.50 0.00 0.00 55.36 52.48 3dwo s GLN 167 Cb -0.18 -2.82 0.02 0.00 -1.64 0.00 0.00 33.01 28.39 3dwo s GLN 167 CO 0.10 0.69 -0.12 0.50 0.50 0.00 0.00 175.29 176.96 3dwo s ARG 168 N -1.15 1.99 -0.07 1.67 6.06 -0.40 -0.91 118.95 126.15 3dwo s ARG 168 Ca 0.16 -0.44 0.05 0.00 -2.50 0.00 0.00 55.73 53.00 3dwo s ARG 168 Cb -0.12 -1.90 -0.02 0.00 0.06 0.00 0.00 34.95 32.98 3dwo s ARG 168 CO 0.06 -0.25 -0.20 0.99 -2.50 0.00 0.00 175.30 173.40 3dwo s THR 169 N 1.57 2.48 -0.02 4.11 2.01 0.83 -1.31 115.64 125.32 3dwo s THR 169 Ca 0.05 -0.91 0.07 0.00 0.31 0.00 0.00 61.69 61.20 3dwo s THR 169 Cb -0.13 -1.95 -0.02 0.00 0.01 0.00 0.00 72.50 70.42 3dwo s THR 169 CO -0.10 0.57 -0.22 -0.94 -0.69 0.00 0.00 174.62 173.24 3dwo s SER 170 N -0.25 2.58 0.01 3.53 1.04 -0.53 -0.83 113.70 119.24 3dwo s SER 170 Ca -0.00 -0.40 -0.02 0.00 0.48 0.00 0.00 55.95 56.01 3dwo s SER 170 Cb -0.13 -0.29 -0.01 0.00 0.10 0.00 0.00 66.02 65.69 3dwo s SER 170 CO 0.03 0.27 0.03 -0.83 0.98 0.00 0.00 173.24 173.72 3dwo s GLY 171 N -0.51 0.12 -0.05 7.32 0.00 0.72 -2.15 107.32 112.77 3dwo s GLY 171 Ca 0.08 -0.29 -0.04 0.00 0.00 0.00 0.00 44.72 44.48 3dwo s GLY 171 CO -0.01 -0.36 0.12 -0.12 0.00 0.00 0.00 173.10 172.73 3dwo s PHE 172 N -1.06 -0.14 -0.06 1.90 5.36 0.58 -1.30 117.98 123.27 3dwo s PHE 172 Ca -0.12 0.36 -0.03 0.00 -0.96 0.00 0.00 56.93 56.18 3dwo s PHE 172 Cb -0.07 0.01 0.03 0.00 -0.34 0.00 0.00 43.02 42.65 3dwo s PHE 172 CO -0.00 -0.09 0.13 0.08 -1.46 0.00 0.00 175.22 173.88 3dwo s VAL 173 N 0.35 -0.04 0.09 3.12 1.01 -0.35 -1.13 120.40 123.44 3dwo s VAL 173 Ca -0.02 0.15 0.06 0.00 0.00 0.00 0.00 61.98 62.17 3dwo s VAL 173 Cb -0.04 -0.21 -0.03 0.00 0.00 0.00 0.00 36.38 36.10 3dwo s VAL 173 CO -0.01 0.06 -0.17 -0.94 0.00 0.00 0.00 175.10 174.04 3dwo s SER 174 N 0.98 2.03 -0.18 3.32 1.04 -0.39 0.06 113.70 120.56 3dwo s SER 174 Ca -0.08 -0.65 -0.29 0.00 0.48 0.00 0.00 55.95 55.42 3dwo s SER 174 Cb -0.10 -0.09 0.11 0.00 0.10 0.00 0.00 66.02 66.04 3dwo s SER 174 CO -0.05 -0.03 0.91 -1.58 0.98 0.00 0.00 173.24 173.48 3dwo s GLN 175 N -1.84 0.70 0.29 4.02 0.74 -0.29 -2.27 119.66 121.01 3dwo s GLN 175 Ca 0.02 0.37 -0.28 0.00 0.05 0.00 0.00 55.36 55.52 3dwo s GLN 175 Cb -0.10 0.33 -0.09 0.00 1.10 0.00 0.00 33.01 34.25 3dwo s GLN 175 CO 0.03 -0.18 0.97 1.21 -0.55 0.00 0.00 175.29 176.78 3dwo s ASN 176 N -0.64 7.40 -0.05 6.67 2.47 -0.19 0.05 114.94 130.65 3dwo s ASN 176 Ca -0.02 1.95 0.06 0.00 0.42 0.00 0.00 52.86 55.27 3dwo s ASN 176 Cb -0.02 -2.60 -0.01 0.00 -1.45 0.00 0.00 41.25 37.17 3dwo s ASN 176 CO 0.01 -0.03 -0.24 -0.76 -3.72 0.00 0.00 177.10 172.37 3dwo s LEU 177 N -1.70 2.04 -0.54 3.21 1.43 0.29 -4.48 118.68 118.94 3dwo s LEU 177 Ca 0.47 -0.47 0.03 0.00 -1.03 0.00 0.00 54.13 53.13 3dwo s LEU 177 Cb -0.23 -1.29 0.13 0.00 0.03 0.00 0.00 46.19 44.83 3dwo s LEU 177 CO 0.29 0.25 0.29 -0.62 0.23 0.00 0.00 176.35 176.79 3dwo s ASP 178 N -0.24 4.42 0.28 2.29 -1.08 -1.26 -2.00 116.67 119.08 3dwo s ASP 178 Ca -0.00 -3.04 0.02 0.00 -0.52 0.00 0.00 52.55 49.00 3dwo s ASP 178 Cb -0.12 -1.66 0.60 0.00 -1.46 0.00 0.00 42.92 40.28 3dwo s ASP 178 CO 0.02 -0.24 1.79 -0.07 0.52 0.00 0.00 175.17 177.19 3dwo h LEU 179 N 6.49 0.73 -0.68 -1.34 3.38 -1.95 -0.79 115.31 121.15 3dwo h LEU 179 Ca -0.06 0.08 -0.05 0.00 0.09 0.00 0.00 57.88 57.93 3dwo h LEU 179 Cb 0.89 -0.05 -0.03 0.00 0.09 0.00 0.00 40.66 41.56 3dwo h LEU 179 CO 0.69 0.32 0.21 1.88 0.09 0.00 0.00 178.44 181.63 3dwo h TYR 180 N 0.77 1.09 -0.64 1.13 0.05 -1.91 -0.12 116.97 117.34 3dwo h TYR 180 Ca 0.51 -0.11 -0.08 0.00 0.05 0.00 0.00 58.73 59.10 3dwo h TYR 180 Cb 0.68 -0.32 -0.03 0.00 1.01 0.00 0.00 36.73 38.08 3dwo h TYR 180 CO -0.04 0.88 0.08 0.00 -1.05 0.00 0.00 178.16 178.03 3dwo h ALA 181 N 1.09 0.93 -0.60 3.88 0.00 -1.59 -1.45 119.26 121.51 3dwo h ALA 181 Ca 0.22 -0.28 -0.07 0.00 0.00 0.00 0.00 54.91 54.79 3dwo h ALA 181 Cb 0.30 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 3dwo h ALA 181 CO -0.01 0.66 0.12 0.77 0.00 0.00 0.00 179.25 180.79 3dwo h SER 182 N 1.00 0.94 -0.22 0.00 0.02 -0.86 -3.08 113.55 111.36 3dwo h SER 182 Ca 0.19 -0.25 -0.01 0.00 -0.84 0.00 0.00 61.79 60.89 3dwo h SER 182 Cb 0.46 -0.25 -0.01 0.00 0.14 0.00 0.00 62.40 62.74 3dwo h SER 182 CO 0.02 0.95 0.11 0.00 -1.14 0.00 0.00 176.83 176.76 3dwo h ALA 183 N 1.03 0.28 -0.82 3.77 0.00 -0.74 -2.13 119.26 120.65 3dwo h ALA 183 Ca 0.19 -0.08 0.21 0.00 0.00 0.00 0.00 54.91 55.23 3dwo h ALA 183 Cb 0.39 -0.09 -0.05 0.00 0.00 0.00 0.00 17.79 18.05 3dwo h ALA 183 CO 0.01 -0.17 0.57 0.00 0.00 0.00 0.00 179.25 179.65 3dwo h ALA 184 N 0.98 2.47 -0.03 0.00 0.00 -1.19 0.01 119.26 121.51 3dwo h ALA 184 Ca 0.08 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.98 3dwo h ALA 184 Cb 0.10 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.90 3dwo h ALA 184 CO -0.01 -0.71 -0.07 0.09 0.00 0.00 0.00 179.25 178.55 3dwo n ASN 185 N -4.40 2.65 -4.82 0.00 3.02 -1.06 -4.29 115.26 106.36 3dwo n ASN 185 Ca 0.17 -1.85 -0.32 0.00 -0.03 0.00 0.00 54.58 52.55 3dwo n ASN 185 Cb 0.76 0.06 0.03 0.00 -0.61 0.00 0.00 39.78 40.02 3dwo n ASN 185 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 3dwo s SER 186 N -2.07 5.66 0.00 6.41 1.04 -0.02 -4.88 113.70 119.84 3dwo s SER 186 Ca 0.28 1.68 0.29 0.00 0.48 0.00 0.00 55.95 58.68 3dwo s SER 186 Cb 0.20 -2.51 1.32 0.00 0.10 0.00 0.00 66.02 65.13 3dwo s SER 186 CO 0.34 -1.25 1.96 -0.81 0.98 0.00 0.00 173.24 174.46 3dwo n PRO 187 N -2.60 0.15 0.00 4.02 -0.04 -1.19 -3.16 135.00 132.19 3dwo n PRO 187 Ca 0.08 -0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.53 3dwo n PRO 187 Cb 0.53 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.49 3dwo n PRO 187 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3dwo n GLY 188 N 1.43 0.52 0.19 0.55 0.00 -0.71 -4.79 105.19 102.39 3dwo n GLY 188 Ca 0.09 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.15 3dwo n GLY 188 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 3dwo n MET 189 N -1.22 0.93 -0.90 1.61 2.81 -1.25 -4.70 117.12 114.40 3dwo n MET 189 Ca 0.00 -1.60 -0.16 0.00 -1.81 0.00 0.00 57.70 54.13 3dwo n MET 189 Cb 0.00 -0.95 0.12 0.00 -0.71 0.00 0.00 33.22 31.68 3dwo n MET 189 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3dwo n GLY 190 N -0.61 -1.74 0.00 3.03 0.00 -1.17 -4.39 105.19 100.32 3dwo n GLY 190 Ca 0.06 -1.62 0.00 0.00 0.00 0.00 0.00 46.02 44.46 3dwo n GLY 190 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3dwo n GLY 191 N -0.33 3.17 3.45 -0.02 0.00 -1.26 -5.01 105.19 105.19 3dwo n GLY 191 Ca 0.09 -1.00 -0.37 0.00 0.00 0.00 0.00 46.02 44.74 3dwo n GLY 191 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3dwo s ILE 192 N -0.19 4.39 -0.94 -0.61 1.01 -1.26 -5.01 121.20 118.58 3dwo s ILE 192 Ca 0.00 -0.17 -0.21 0.00 0.00 0.00 0.00 60.65 60.27 3dwo s ILE 192 Cb 0.00 -3.07 -0.12 0.00 0.01 0.00 0.00 42.46 39.29 3dwo s ILE 192 CO 0.00 0.31 1.95 -0.81 0.00 0.00 0.00 174.94 176.39 3dwo n PRO 193 N 4.94 1.72 -1.69 2.79 -0.04 -1.26 -4.63 135.00 136.82 3dwo n PRO 193 Ca -0.16 -2.11 -0.43 0.00 -0.04 0.00 0.00 63.50 60.76 3dwo n PRO 193 Cb 0.51 -3.15 -0.01 0.00 -0.04 0.00 0.00 33.50 30.81 3dwo n PRO 193 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 3dwo n PHE 194 N 8.89 2.19 -2.27 0.54 3.72 -1.26 -4.92 117.46 124.34 3dwo n PHE 194 Ca 0.49 0.56 -0.36 0.00 -0.05 0.00 0.00 57.45 58.09 3dwo n PHE 194 Cb 0.42 -2.40 -0.01 0.00 -0.94 0.00 0.00 39.48 36.55 3dwo n PHE 194 CO 0.00 0.00 0.00 -1.25 -0.05 0.00 0.00 176.76 175.46 3dwo s PRO 195 N -1.88 3.61 0.60 -1.08 0.04 -1.26 -4.78 135.00 130.25 3dwo s PRO 195 Ca 0.56 1.70 -0.11 0.00 0.04 0.00 0.00 61.00 63.19 3dwo s PRO 195 Cb -0.57 -2.24 -0.04 0.00 0.04 0.00 0.00 34.50 31.68 3dwo s PRO 195 CO 0.62 -0.66 1.00 0.00 0.04 0.00 0.00 177.00 178.00 3dwo s ALA 196 N -1.65 3.13 -1.86 8.56 0.00 -1.26 -4.18 121.76 124.50 3dwo s ALA 196 Ca 0.67 -0.11 0.00 0.00 0.00 0.00 0.00 51.96 52.52 3dwo s ALA 196 Cb -0.26 -3.04 0.00 0.00 0.00 0.00 0.00 23.12 19.82 3dwo s ALA 196 CO 0.31 -0.63 0.00 0.43 0.00 0.00 0.00 175.76 175.87 3dwo n SER 197 N -2.63 -5.24 -0.11 0.00 7.64 -1.26 -4.86 113.62 107.17 3dwo n SER 197 Ca 0.06 0.34 -0.24 0.00 1.01 0.00 0.00 58.87 60.04 3dwo n SER 197 Cb 0.54 -4.34 -0.11 0.00 -1.01 0.00 0.00 64.21 59.29 3dwo n SER 197 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 3dwo n ASN 198 N -1.09 1.88 -4.84 6.43 4.13 -1.26 -3.93 115.26 116.59 3dwo n ASN 198 Ca -0.19 0.40 -0.36 0.00 1.68 0.00 0.00 54.58 56.11 3dwo n ASN 198 Cb 0.62 -0.93 -0.06 0.00 -1.54 0.00 0.00 39.78 37.87 3dwo n ASN 198 CO 0.00 0.00 0.00 -0.94 0.28 0.00 0.00 177.26 176.60 3dwo s SER 199 N -7.02 6.84 -0.28 6.41 1.04 -1.26 -4.33 113.70 115.09 3dwo s SER 199 Ca -0.31 1.05 -0.19 0.00 0.48 0.00 0.00 55.95 56.98 3dwo s SER 199 Cb 0.08 -2.28 0.12 0.00 0.10 0.00 0.00 66.02 64.04 3dwo s SER 199 CO 0.57 0.18 0.91 -0.94 0.98 0.00 0.00 173.24 174.93 3dwo s SER 200 N -1.51 -0.61 -0.06 7.02 1.04 -1.26 -4.52 113.70 113.80 3dwo s SER 200 Ca 0.33 1.03 -0.11 0.00 0.48 0.00 0.00 55.95 57.68 3dwo s SER 200 Cb -0.16 1.19 0.02 0.00 0.10 0.00 0.00 66.02 67.18 3dwo s SER 200 CO 0.18 -0.17 0.27 0.00 0.98 0.00 0.00 173.24 174.50 3dwo s ALA 201 N 1.11 -0.67 -0.34 5.32 0.00 -0.85 -2.63 121.76 123.70 3dwo s ALA 201 Ca -0.06 0.52 -0.21 0.00 0.00 0.00 0.00 51.96 52.21 3dwo s ALA 201 Cb -0.04 -0.21 -0.00 0.00 0.00 0.00 0.00 23.12 22.86 3dwo s ALA 201 CO -0.13 -0.18 0.64 -1.17 0.00 0.00 0.00 175.76 174.92 3dwo s LEU 202 N -0.53 4.21 0.04 0.00 2.96 0.07 -0.55 118.68 124.89 3dwo s LEU 202 Ca -0.06 0.25 -0.28 0.00 -0.22 0.00 0.00 54.13 53.81 3dwo s LEU 202 Cb -0.04 -2.81 -0.05 0.00 0.50 0.00 0.00 46.19 43.80 3dwo s LEU 202 CO 0.02 -0.56 0.90 -0.32 -1.32 0.00 0.00 176.35 175.06 3dwo s MET 203 N 2.70 4.58 -0.08 1.98 -2.45 0.11 0.01 119.30 126.15 3dwo s MET 203 Ca 0.25 1.29 0.01 0.00 -1.25 0.00 0.00 55.69 55.99 3dwo s MET 203 Cb -0.15 -3.41 0.02 0.00 1.25 0.00 0.00 34.83 32.55 3dwo s MET 203 CO 0.14 0.13 -0.09 1.03 1.05 0.00 0.00 175.02 177.28 3dwo s ARG 204 N 0.40 1.41 -0.13 4.11 0.52 0.14 -1.14 118.95 124.26 3dwo s ARG 204 Ca 0.46 -0.27 0.02 0.00 -0.52 0.00 0.00 55.73 55.41 3dwo s ARG 204 Cb -0.21 -1.32 0.01 0.00 0.52 0.00 0.00 34.95 33.95 3dwo s ARG 204 CO 0.26 -0.10 -0.19 0.08 0.02 0.00 0.00 175.30 175.38 3dwo s VAL 205 N 1.09 1.79 -0.17 3.52 1.01 0.11 -1.30 120.40 126.45 3dwo s VAL 205 Ca -0.07 -0.81 0.00 0.00 0.00 0.00 0.00 61.98 61.10 3dwo s VAL 205 Cb -0.14 -1.61 0.04 0.00 0.00 0.00 0.00 36.38 34.67 3dwo s VAL 205 CO -0.01 0.50 -0.08 -0.75 0.00 0.00 0.00 175.10 174.76 3dwo s LYS 206 N 0.95 1.73 0.07 2.72 2.47 -0.50 -1.22 119.74 125.96 3dwo s LYS 206 Ca -0.06 -0.60 0.01 0.00 -1.56 0.00 0.00 55.97 53.76 3dwo s LYS 206 Cb -0.15 -2.11 -0.04 0.00 -1.46 0.00 0.00 37.83 34.07 3dwo s LYS 206 CO -0.03 -0.39 -0.05 0.14 0.16 0.00 0.00 175.35 175.18 3dwo s VAL 207 N 1.55 0.46 0.13 4.02 -7.23 -0.42 -1.57 120.40 117.34 3dwo s VAL 207 Ca 0.01 -1.80 -0.13 0.00 -1.81 0.00 0.00 61.98 58.25 3dwo s VAL 207 Cb -0.15 -1.50 0.02 0.00 0.56 0.00 0.00 36.38 35.30 3dwo s VAL 207 CO -0.08 -0.89 0.33 -1.81 -0.31 0.00 0.00 175.10 172.34 3dwo s ASP 208 N -2.86 -0.08 -0.18 4.85 1.01 0.17 -0.20 116.67 119.39 3dwo s ASP 208 Ca 0.08 -0.53 -0.29 0.00 0.71 0.00 0.00 52.55 52.51 3dwo s ASP 208 Cb 0.05 0.44 0.12 0.00 1.01 0.00 0.00 42.92 44.54 3dwo s ASP 208 CO -0.07 -0.84 0.98 0.21 0.21 0.00 0.00 175.17 175.66 3dwo s ASN 209 N -2.86 -0.41 -0.10 0.27 2.47 -0.01 -1.17 114.94 113.13 3dwo s ASN 209 Ca 0.07 0.54 0.02 0.00 0.42 0.00 0.00 52.86 53.90 3dwo s ASN 209 Cb 0.03 0.46 0.02 0.00 -1.45 0.00 0.00 41.25 40.30 3dwo s ASN 209 CO -0.09 -0.32 -0.13 -0.89 -3.72 0.00 0.00 177.10 171.95 3dwo s THR 210 N -0.79 1.34 0.13 -5.21 2.01 -1.26 -0.12 115.64 111.74 3dwo s THR 210 Ca -0.01 -0.55 -0.16 0.00 0.31 0.00 0.00 61.69 61.28 3dwo s THR 210 Cb -0.02 -1.24 0.03 0.00 0.01 0.00 0.00 72.50 71.29 3dwo s THR 210 CO 0.00 0.41 0.39 -0.94 -0.69 0.00 0.00 174.62 173.80 3dwo s SER 211 N 1.01 -0.22 0.28 3.53 1.04 -0.09 -4.98 113.70 114.27 3dwo s SER 211 Ca -0.07 -0.34 -0.13 0.00 0.48 0.00 0.00 55.95 55.89 3dwo s SER 211 Cb -0.15 0.47 -0.08 0.00 0.10 0.00 0.00 66.02 66.36 3dwo s SER 211 CO -0.01 -0.86 0.65 -2.84 0.98 0.00 0.00 173.24 171.16 3dwo s PRO 212 N -3.81 3.91 0.07 4.02 0.02 -1.26 -0.89 135.00 137.07 3dwo s PRO 212 Ca 0.03 0.49 0.01 0.00 0.02 0.00 0.00 61.00 61.56 3dwo s PRO 212 Cb 0.02 -2.54 -0.04 0.00 0.02 0.00 0.00 34.50 31.96 3dwo s PRO 212 CO -0.12 0.24 -0.06 0.20 -0.33 0.00 0.00 177.00 176.93 3dwo s GLY 213 N -2.30 0.61 0.07 0.52 0.00 0.96 -4.69 107.32 102.49 3dwo s GLY 213 Ca 0.51 -1.12 0.07 0.00 0.00 0.00 0.00 44.72 44.18 3dwo s GLY 213 CO 0.19 -1.20 -0.18 -1.36 0.00 0.00 0.00 173.10 170.55 3dwo s PHE 214 N -2.90 1.52 0.10 1.90 0.08 -1.26 -0.22 117.98 117.20 3dwo s PHE 214 Ca 0.03 -0.41 -0.11 0.00 0.12 0.00 0.00 56.93 56.56 3dwo s PHE 214 Cb 0.00 -0.86 0.01 0.00 -0.57 0.00 0.00 43.02 41.60 3dwo s PHE 214 CO -0.04 0.12 0.25 -0.59 -0.10 0.00 0.00 175.22 174.86 3dwo s PHE 215 N -1.10 0.06 0.22 0.36 -0.71 -0.95 -1.70 117.98 114.17 3dwo s PHE 215 Ca 0.03 -0.46 -0.13 0.00 -1.04 0.00 0.00 56.93 55.33 3dwo s PHE 215 Cb -0.09 0.03 0.00 0.00 -1.21 0.00 0.00 43.02 41.75 3dwo s PHE 215 CO 0.03 -0.59 0.45 0.00 -1.34 0.00 0.00 175.22 173.76 3dwo s ALA 216 N -3.85 -0.36 0.23 1.99 0.00 -0.10 -1.23 121.76 118.45 3dwo s ALA 216 Ca 0.05 -0.73 -0.22 0.00 0.00 0.00 0.00 51.96 51.06 3dwo s ALA 216 Cb 0.04 0.97 0.04 0.00 0.00 0.00 0.00 23.12 24.17 3dwo s ALA 216 CO -0.11 -0.80 0.75 0.20 0.00 0.00 0.00 175.76 175.80 3dwo s GLY 217 N -2.97 -0.20 -0.03 0.00 0.00 -0.26 -0.71 107.32 103.14 3dwo s GLY 217 Ca 0.18 -0.09 -0.06 0.00 0.00 0.00 0.00 44.72 44.76 3dwo s GLY 217 CO 0.04 -0.03 0.14 0.00 0.00 0.00 0.00 173.10 173.26 3dwo s ALA 218 N -3.77 -0.34 -0.01 3.20 0.00 0.14 -0.66 121.76 120.32 3dwo s ALA 218 Ca 0.10 0.18 0.04 0.00 0.00 0.00 0.00 51.96 52.28 3dwo s ALA 218 Cb -0.04 -0.10 -0.01 0.00 0.00 0.00 0.00 23.12 22.97 3dwo s ALA 218 CO 0.03 -0.13 -0.14 0.08 0.00 0.00 0.00 175.76 175.61 3dwo s VAL 219 N -0.52 1.07 -0.11 0.00 1.01 -0.73 -1.15 120.40 119.98 3dwo s VAL 219 Ca -0.06 -0.58 -0.01 0.00 0.00 0.00 0.00 61.98 61.33 3dwo s VAL 219 Cb -0.04 -0.90 0.03 0.00 0.00 0.00 0.00 36.38 35.48 3dwo s VAL 219 CO 0.01 0.30 -0.01 0.86 0.00 0.00 0.00 175.10 176.27 3dwo s TRP 220 N -0.30 0.91 -0.74 5.22 -0.00 0.02 -1.81 118.94 122.24 3dwo s TRP 220 Ca 0.05 -0.43 -0.07 0.00 -0.00 0.00 0.00 56.10 55.65 3dwo s TRP 220 Cb -0.05 -0.93 0.19 0.00 -0.00 0.00 0.00 33.47 32.67 3dwo s TRP 220 CO -0.00 -0.42 0.61 0.15 -0.00 0.00 0.00 176.95 177.28 3dwo s LYS 221 N 1.90 3.06 0.09 5.86 1.02 0.21 -0.71 119.74 131.16 3dwo s LYS 221 Ca 0.04 -2.61 -0.19 0.00 0.02 0.00 0.00 55.97 53.22 3dwo s LYS 221 Cb -0.13 -4.03 -0.08 0.00 -0.52 0.00 0.00 37.83 33.07 3dwo s LYS 221 CO -0.06 -1.23 1.60 -1.35 -0.92 0.00 0.00 175.35 173.39 3dwo h PRO 222 N 7.17 0.37 -0.02 -1.68 0.11 -1.81 -3.38 132.00 132.76 3dwo h PRO 222 Ca 0.05 -0.08 -0.07 0.00 0.11 0.00 0.00 66.00 66.01 3dwo h PRO 222 Cb 0.97 -0.05 -0.13 0.00 0.11 0.00 0.00 31.00 31.90 3dwo h PRO 222 CO 0.75 0.46 -0.67 0.25 -0.21 0.00 0.00 178.00 178.57 3dwo n THR 223 N -4.75 1.55 0.00 -1.15 -2.24 -1.26 -4.96 114.28 101.47 3dwo n THR 223 Ca -0.03 -2.60 0.00 0.00 -2.27 0.00 0.00 64.05 59.15 3dwo n THR 223 Cb 0.16 0.13 0.00 0.00 -2.10 0.00 0.00 70.33 68.52 3dwo n THR 223 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 3dwo n ASP 224 N -0.62 0.00 -0.09 3.42 9.92 -1.26 -4.25 116.55 123.67 3dwo n ASP 224 Ca 0.16 0.00 -0.08 0.00 -0.53 0.00 0.00 54.79 54.34 3dwo n ASP 224 Cb 0.83 -0.57 -0.14 0.00 -0.64 0.00 0.00 41.12 40.60 3dwo n ASP 224 CO 0.00 0.00 0.00 0.54 0.13 0.00 0.00 177.20 177.87 3dwo n ARG 225 N -1.10 1.00 -4.70 -1.24 5.12 -1.26 -4.95 116.66 109.53 3dwo n ARG 225 Ca 0.00 -0.02 -0.33 0.00 -1.93 0.00 0.00 57.85 55.57 3dwo n ARG 225 Cb 0.00 -1.47 -0.13 0.00 -1.16 0.00 0.00 32.46 29.70 3dwo n ARG 225 CO 0.00 0.00 0.00 -0.51 -1.93 0.00 0.00 177.63 175.19 3dwo s ASP 226 N -5.19 4.32 -0.17 0.55 1.01 -1.26 -1.56 116.67 114.37 3dwo s ASP 226 Ca -0.09 -0.18 -0.00 0.00 0.71 0.00 0.00 52.55 52.99 3dwo s ASP 226 Cb 0.06 -1.35 0.04 0.00 1.01 0.00 0.00 42.92 42.68 3dwo s ASP 226 CO 0.75 0.26 -0.08 -0.89 0.21 0.00 0.00 175.17 175.42 3dwo s THR 227 N -0.20 1.31 0.03 -1.27 2.01 -0.51 -3.37 115.64 113.63 3dwo s THR 227 Ca 0.02 -0.71 0.02 0.00 0.31 0.00 0.00 61.69 61.33 3dwo s THR 227 Cb -0.13 -1.41 -0.04 0.00 0.01 0.00 0.00 72.50 70.93 3dwo s THR 227 CO 0.03 0.20 0.02 -0.76 -0.69 0.00 0.00 174.62 173.41 3dwo s LEU 228 N 1.55 3.57 -0.06 4.42 1.43 0.11 -1.12 118.68 128.58 3dwo s LEU 228 Ca 0.01 -0.04 -0.09 0.00 -1.03 0.00 0.00 54.13 52.99 3dwo s LEU 228 Cb -0.15 -2.14 0.02 0.00 0.03 0.00 0.00 46.19 43.95 3dwo s LEU 228 CO -0.08 0.24 0.22 -0.83 0.23 0.00 0.00 176.35 176.13 3dwo s GLY 229 N -1.86 -0.13 -0.09 -3.19 0.00 0.12 -0.80 107.32 101.37 3dwo s GLY 229 Ca 0.23 0.48 0.02 0.00 0.00 0.00 0.00 44.72 45.45 3dwo s GLY 229 CO 0.14 0.37 -0.14 -0.12 0.00 0.00 0.00 173.10 173.36 3dwo s PHE 230 N -0.29 1.74 -0.01 1.90 5.36 -0.30 -0.25 117.98 126.13 3dwo s PHE 230 Ca -0.04 -0.76 0.04 0.00 -0.96 0.00 0.00 56.93 55.21 3dwo s PHE 230 Cb -0.03 -1.28 -0.01 0.00 -0.34 0.00 0.00 43.02 41.36 3dwo s PHE 230 CO 0.01 -0.40 -0.14 0.00 -1.46 0.00 0.00 175.22 173.23 3dwo s ALA 231 N 0.92 1.15 -0.06 11.12 0.00 -0.50 -0.69 121.76 133.71 3dwo s ALA 231 Ca -0.09 -0.61 0.01 0.00 0.00 0.00 0.00 51.96 51.27 3dwo s ALA 231 Cb -0.15 -0.29 0.02 0.00 0.00 0.00 0.00 23.12 22.70 3dwo s ALA 231 CO 0.00 0.28 -0.08 -0.47 0.00 0.00 0.00 175.76 175.49 3dwo s TYR 232 N -0.35 1.11 -0.24 0.00 5.04 0.11 -1.22 117.35 121.79 3dwo s TYR 232 Ca 0.05 -0.40 -0.01 0.00 -2.44 0.00 0.00 57.07 54.27 3dwo s TYR 232 Cb -0.05 -0.90 0.03 0.00 0.35 0.00 0.00 41.96 41.38 3dwo s TYR 232 CO -0.00 -0.27 -0.08 -1.01 -1.34 0.00 0.00 175.55 172.85 3dwo s HIS 233 N 0.98 3.05 0.65 4.97 3.76 -0.01 -0.93 115.29 127.77 3dwo s HIS 233 Ca -0.10 -1.61 -0.15 0.00 -0.15 0.00 0.00 55.06 53.06 3dwo s HIS 233 Cb -0.15 -2.04 -0.01 0.00 1.11 0.00 0.00 32.58 31.50 3dwo s HIS 233 CO 0.00 -0.75 1.09 0.00 -0.85 0.00 0.00 174.74 174.24 3dwo s ALA 234 N 1.31 2.55 0.45 -1.40 0.00 -0.69 -1.25 121.76 122.73 3dwo s ALA 234 Ca -0.00 0.45 -0.25 0.00 0.00 0.00 0.00 51.96 52.16 3dwo s ALA 234 Cb -0.17 -3.28 -0.08 0.00 0.00 0.00 0.00 23.12 19.59 3dwo s ALA 234 CO -0.05 -1.16 1.39 0.21 0.00 0.00 0.00 175.76 176.15 3dwo s LYS 235 N -4.19 3.71 -0.34 0.00 2.20 -1.26 -4.56 119.74 115.30 3dwo s LYS 235 Ca 0.65 2.33 -0.07 0.00 -0.36 0.00 0.00 55.97 58.52 3dwo s LYS 235 Cb -0.18 -2.64 0.03 0.00 -1.51 0.00 0.00 37.83 33.53 3dwo s LYS 235 CO 0.42 -0.77 0.11 0.42 -0.36 0.00 0.00 175.35 175.17 3dwo s ILE 236 N -1.23 3.92 0.16 5.43 1.01 0.20 -4.84 121.20 125.85 3dwo s ILE 236 Ca 0.61 -1.02 -0.32 0.00 0.00 0.00 0.00 60.65 59.91 3dwo s ILE 236 Cb -0.42 -3.18 -0.12 0.00 0.01 0.00 0.00 42.46 38.75 3dwo s ILE 236 CO 0.54 -0.14 1.73 0.54 0.00 0.00 0.00 174.94 177.60 3dwo n ARG 237 N 4.85 2.63 -3.37 2.79 5.12 -1.26 -1.29 116.66 126.12 3dwo n ARG 237 Ca -0.13 0.95 -0.17 0.00 -1.93 0.00 0.00 57.85 56.57 3dwo n ARG 237 Cb 0.45 -2.80 -0.08 0.00 -1.16 0.00 0.00 32.46 28.88 3dwo n ARG 237 CO 0.00 0.00 0.00 1.21 -1.93 0.00 0.00 177.63 176.91 3dwo s ASN 238 N 1.67 1.24 -0.50 0.55 2.47 -1.26 -4.83 114.94 114.29 3dwo s ASN 238 Ca 0.79 -1.51 -0.19 0.00 0.42 0.00 0.00 52.86 52.37 3dwo s ASN 238 Cb -0.54 0.54 0.05 0.00 -1.45 0.00 0.00 41.25 39.85 3dwo s ASN 238 CO 0.36 -0.27 0.62 -0.75 -3.72 0.00 0.00 177.10 173.33 3dwo s LYS 239 N 1.52 3.14 0.25 0.43 2.20 -1.26 -0.41 119.74 125.61 3dwo s LYS 239 Ca 0.16 -0.82 -0.30 0.00 -0.36 0.00 0.00 55.97 54.65 3dwo s LYS 239 Cb -0.15 -4.08 -0.09 0.00 -1.51 0.00 0.00 37.83 32.00 3dwo s LYS 239 CO -0.06 -1.19 1.10 -0.51 -0.36 0.00 0.00 175.35 174.33 3dwo s LEU 240 N 2.64 4.53 0.04 5.43 1.02 -0.04 -4.74 118.68 127.56 3dwo s LEU 240 Ca 0.16 2.22 0.04 0.00 0.02 0.00 0.00 54.13 56.58 3dwo s LEU 240 Cb -0.18 -3.62 -0.02 0.00 0.02 0.00 0.00 46.19 42.38 3dwo s LEU 240 CO 0.13 -0.17 -0.13 -0.54 0.02 0.00 0.00 176.35 175.66 3dwo s LYS 241 N -1.12 0.85 0.00 1.70 1.02 -0.32 -0.97 119.74 120.90 3dwo s LYS 241 Ca 0.46 -0.73 0.00 0.00 0.02 0.00 0.00 55.97 55.72 3dwo s LYS 241 Cb -0.31 -0.84 0.00 0.00 -0.52 0.00 0.00 37.83 36.16 3dwo s LYS 241 CO 0.39 0.20 0.00 0.41 -0.92 0.00 0.00 175.35 175.44 3dwo n GLY 242 N 1.89 -0.47 3.46 -3.33 0.00 0.04 -0.66 105.19 106.12 3dwo n GLY 242 Ca -0.18 0.27 -0.10 0.00 0.00 0.00 0.00 46.02 46.00 3dwo n GLY 242 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3dwo s HIS 243 N 0.00 0.65 0.02 1.61 3.76 -0.61 -0.62 115.29 120.10 3dwo s HIS 243 Ca 0.00 -0.96 -0.02 0.00 -0.15 0.00 0.00 55.06 53.93 3dwo s HIS 243 Cb 0.00 -0.07 -0.01 0.00 1.11 0.00 0.00 32.58 33.61 3dwo s HIS 243 CO 0.00 -0.88 0.01 1.52 -0.85 0.00 0.00 174.74 174.54 3dwo s TYR 244 N -4.04 0.21 0.06 1.40 -0.85 -0.38 -1.41 117.35 112.34 3dwo s TYR 244 Ca 0.28 -0.43 -0.14 0.00 -0.52 0.00 0.00 57.07 56.26 3dwo s TYR 244 Cb 0.02 -0.16 0.02 0.00 0.38 0.00 0.00 41.96 42.22 3dwo s TYR 244 CO 0.10 -0.21 0.31 0.54 -1.52 0.00 0.00 175.55 174.77 3dwo s ASN 245 N -1.44 -0.12 -0.17 -0.18 2.20 -0.42 -1.51 114.94 113.29 3dwo s ASN 245 Ca -0.16 -0.26 -0.02 0.00 -0.94 0.00 0.00 52.86 51.49 3dwo s ASN 245 Cb -0.09 0.38 -0.01 0.00 -2.00 0.00 0.00 41.25 39.53 3dwo s ASN 245 CO -0.00 -0.67 -0.10 -0.76 -2.94 0.00 0.00 177.10 172.62 3dwo s LEU 246 N -2.28 2.73 -0.65 3.54 1.02 -0.22 -0.69 118.68 122.13 3dwo s LEU 246 Ca -0.02 -0.39 -0.15 0.00 0.02 0.00 0.00 54.13 53.59 3dwo s LEU 246 Cb 0.00 -1.65 0.17 0.00 0.02 0.00 0.00 46.19 44.73 3dwo s LEU 246 CO -0.06 0.07 0.60 -0.47 0.02 0.00 0.00 176.35 176.52 3dwo s TYR 247 N 0.91 3.46 0.23 0.29 5.04 0.10 -4.89 117.35 122.50 3dwo s TYR 247 Ca -0.02 -1.59 -0.30 0.00 -2.44 0.00 0.00 57.07 52.72 3dwo s TYR 247 Cb -0.15 -3.80 -0.09 0.00 0.35 0.00 0.00 41.96 38.28 3dwo s TYR 247 CO -0.00 -1.01 0.97 0.16 -1.34 0.00 0.00 175.55 174.33 3dwo s ASP 248 N 3.00 7.58 -0.36 4.32 3.84 -1.26 -0.75 116.67 133.03 3dwo s ASP 248 Ca 0.09 1.98 0.13 0.00 -0.00 0.00 0.00 52.55 54.75 3dwo s ASP 248 Cb -0.22 -2.61 0.38 0.00 -1.38 0.00 0.00 42.92 39.09 3dwo s ASP 248 CO -0.02 0.09 0.84 0.00 -0.00 0.00 0.00 175.17 176.09 3dwo n HIS 249 N 1.60 0.12 0.29 2.11 1.44 -1.08 -4.88 115.22 114.83 3dwo n HIS 249 Ca -0.01 -3.34 0.03 0.00 -2.01 0.00 0.00 57.72 52.39 3dwo n HIS 249 Cb 0.47 -0.18 -0.01 0.00 0.12 0.00 0.00 29.99 30.39 3dwo n HIS 249 CO 0.00 0.00 0.00 -3.47 -2.81 0.00 0.00 176.34 170.06 3dwo n ASP 250 N 0.16 0.80 -0.09 4.39 4.64 -1.23 -3.97 116.55 121.25 3dwo n ASP 250 Ca 0.18 -0.90 -0.01 0.00 -1.38 0.00 0.00 54.79 52.68 3dwo n ASP 250 Cb 0.71 0.60 -0.00 0.00 -1.04 0.00 0.00 41.12 41.39 3dwo n ASP 250 CO 0.00 0.00 0.00 0.61 -0.82 0.00 0.00 177.20 176.99 3dwo n GLY 251 N 0.84 0.45 0.72 0.27 0.00 -1.07 -3.45 105.19 102.95 3dwo n GLY 251 Ca 0.02 -1.02 0.00 0.00 0.00 0.00 0.00 46.02 45.02 3dwo n GLY 251 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3dwo n GLY 252 N -2.68 0.66 0.26 -0.02 0.00 -1.26 -4.99 105.19 97.16 3dwo n GLY 252 Ca -0.01 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.86 3dwo n GLY 252 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3dwo h LEU 253 N 0.00 -0.54 -0.05 0.99 3.38 -1.96 -0.71 115.31 116.42 3dwo h LEU 253 Ca 0.00 0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.01 3dwo h LEU 253 Cb 0.00 0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.90 3dwo h LEU 253 CO 0.00 -0.35 0.01 0.74 0.09 0.00 0.00 178.44 178.93 3dwo h THR 254 N -0.56 0.98 -0.58 0.22 2.02 -1.90 -1.64 112.91 111.46 3dwo h THR 254 Ca -0.04 -0.01 -0.07 0.00 0.77 0.00 0.00 66.41 67.06 3dwo h THR 254 Cb 0.46 0.95 -0.02 0.00 -1.74 0.00 0.00 68.15 67.79 3dwo h THR 254 CO 0.05 0.01 0.09 -0.08 0.37 0.00 0.00 175.52 175.96 3dwo h GLU 255 N 0.03 0.92 -0.73 6.66 4.81 -1.99 -1.05 114.58 123.25 3dwo h GLU 255 Ca 0.02 -0.22 0.00 0.00 -0.13 0.00 0.00 59.36 59.03 3dwo h GLU 255 Cb 0.01 -0.12 -0.04 0.00 0.63 0.00 0.00 28.75 29.24 3dwo h GLU 255 CO -0.02 0.86 0.45 0.78 -0.73 0.00 0.00 179.01 180.35 3dwo h GLY 256 N 1.01 1.04 0.74 1.92 0.00 -0.88 0.21 103.07 107.12 3dwo h GLY 256 Ca 0.18 -0.42 -0.01 0.00 0.00 0.00 0.00 47.33 47.08 3dwo h GLY 256 CO 0.01 0.41 0.00 0.00 0.00 0.00 0.00 176.54 176.96 3dwo h ALA 257 N 1.24 0.10 -0.08 3.60 0.00 -0.91 -0.19 119.26 123.02 3dwo h ALA 257 Ca 0.26 -0.17 -0.00 0.00 0.00 0.00 0.00 54.91 55.00 3dwo h ALA 257 Cb -0.06 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 17.69 3dwo h ALA 257 CO -0.05 -0.23 0.04 0.82 0.00 0.00 0.00 179.25 179.83 3dwo h ILE 258 N -0.15 1.09 0.00 0.00 2.04 -0.98 -0.91 117.51 118.60 3dwo h ILE 258 Ca 0.02 -0.24 -0.02 0.00 1.00 0.00 0.00 64.86 65.61 3dwo h ILE 258 Cb 0.33 1.10 -0.00 0.00 -0.74 0.00 0.00 36.82 37.51 3dwo h ILE 258 CO 0.00 0.07 -0.11 -0.33 0.00 0.00 0.00 178.15 177.78 3dwo h GLU 259 N 0.03 0.00 -0.00 2.37 4.39 -0.60 -0.45 114.58 120.32 3dwo h GLU 259 Ca 0.03 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.73 3dwo h GLU 259 Cb 0.08 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.73 3dwo h GLU 259 CO -0.00 0.11 -0.07 0.41 -1.16 0.00 0.00 179.01 178.30 3dwo n GLY 260 N -0.71 -1.27 2.31 -3.84 0.00 -0.09 -4.92 105.19 96.69 3dwo n GLY 260 Ca -0.02 -0.18 -0.10 0.00 0.00 0.00 0.00 46.02 45.73 3dwo n GLY 260 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3dwo n GLY 261 N 1.36 1.12 0.17 -0.02 0.00 -0.18 -4.93 105.19 102.72 3dwo n GLY 261 Ca 0.12 -0.52 -0.01 0.00 0.00 0.00 0.00 46.02 45.61 3dwo n GLY 261 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 3dwo h THR 262 N 0.00 1.35 -0.95 2.61 1.35 -1.60 -3.22 112.91 112.45 3dwo h THR 262 Ca -0.20 -1.67 0.06 0.00 -0.55 0.00 0.00 66.41 64.05 3dwo h THR 262 Cb 0.66 1.86 -0.06 0.00 -1.73 0.00 0.00 68.15 68.88 3dwo h THR 262 CO 0.29 0.48 0.62 -0.65 -0.25 0.00 0.00 175.52 176.01 3dwo h PRO 263 N 0.07 1.09 0.00 4.72 0.11 -1.90 -1.05 132.00 135.04 3dwo h PRO 263 Ca 0.00 -0.07 -0.02 0.00 0.11 0.00 0.00 66.00 66.03 3dwo h PRO 263 Cb 0.88 -0.25 -0.00 0.00 0.11 0.00 0.00 31.00 31.74 3dwo h PRO 263 CO 0.07 0.72 -0.08 0.78 -0.21 0.00 0.00 178.00 179.28 3dwo h GLY 264 N 1.12 0.00 1.51 -0.55 0.00 -1.69 -0.70 103.07 102.75 3dwo h GLY 264 Ca 0.40 0.00 -0.29 0.00 0.00 0.00 0.00 47.33 47.44 3dwo h GLY 264 CO -0.14 0.00 -1.33 1.41 0.00 0.00 0.00 176.54 176.48 3dwo h LEU 265 N 0.00 0.46 -0.12 3.11 3.38 -1.32 -2.98 115.31 117.84 3dwo h LEU 265 Ca -0.00 -0.52 -0.05 0.00 0.09 0.00 0.00 57.88 57.39 3dwo h LEU 265 Cb 0.55 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 41.15 3dwo h LEU 265 CO 0.01 1.41 -0.14 0.00 0.09 0.00 0.00 178.44 179.82 3dwo h ALA 266 N 0.52 0.18 -3.14 1.53 0.00 -0.90 -3.38 119.26 114.06 3dwo h ALA 266 Ca -0.17 -0.32 -0.62 0.00 0.00 0.00 0.00 54.91 53.79 3dwo h ALA 266 Cb 2.00 -0.04 -0.41 0.00 0.00 0.00 0.00 17.79 19.35 3dwo h ALA 266 CO 0.20 0.06 -0.67 0.71 0.00 0.00 0.00 179.25 179.55 3dwo s TYR 267 N -4.25 2.81 0.26 0.00 2.02 -0.31 -1.74 117.35 116.15 3dwo s TYR 267 Ca -0.14 -2.95 -0.29 0.00 -0.37 0.00 0.00 57.07 53.31 3dwo s TYR 267 Cb 0.05 -2.42 -0.14 0.00 -0.40 0.00 0.00 41.96 39.04 3dwo s TYR 267 CO 0.74 -0.71 1.06 -2.30 -1.57 0.00 0.00 175.55 172.78 3dwo n PRO 268 N 2.95 1.35 -0.10 -1.71 -0.02 -1.13 -0.95 135.00 135.40 3dwo n PRO 268 Ca 0.11 0.48 0.00 0.00 -2.02 0.00 0.00 63.50 62.06 3dwo n PRO 268 Cb 0.34 -1.89 0.00 0.00 -0.02 0.00 0.00 33.50 31.93 3dwo n PRO 268 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3dwo n GLY 269 N 1.45 0.91 3.71 -1.23 0.00 -1.26 -5.04 105.19 103.73 3dwo n GLY 269 Ca 0.11 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.76 3dwo n GLY 269 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3dwo s LEU 270 N 0.00 4.22 -0.70 0.99 2.96 -0.13 -4.90 118.68 121.12 3dwo s LEU 270 Ca 0.00 0.47 0.05 0.00 -0.22 0.00 0.00 54.13 54.43 3dwo s LEU 270 Cb 0.00 -2.36 0.17 0.00 0.50 0.00 0.00 46.19 44.50 3dwo s LEU 270 CO 0.00 0.07 0.49 -0.62 -1.32 0.00 0.00 176.35 174.98 3dwo s ASP 271 N 0.59 4.71 -0.06 3.68 2.15 -1.26 -4.05 116.67 122.43 3dwo s ASP 271 Ca 0.16 -3.84 -0.15 0.00 0.43 0.00 0.00 52.55 49.15 3dwo s ASP 271 Cb -0.13 -1.59 -0.05 0.00 -0.30 0.00 0.00 42.92 40.85 3dwo s ASP 271 CO 0.04 -0.08 0.38 -0.22 -0.17 0.00 0.00 175.17 175.12 3dwo s LEU 272 N -1.42 4.39 0.40 -1.34 2.96 -1.26 -5.04 118.68 117.36 3dwo s LEU 272 Ca 0.25 0.81 0.04 0.00 -0.22 0.00 0.00 54.13 55.01 3dwo s LEU 272 Cb -0.04 -2.53 -0.03 0.00 0.50 0.00 0.00 46.19 44.10 3dwo s LEU 272 CO -0.17 0.23 0.14 -0.13 -1.32 0.00 0.00 176.35 175.09 3dwo s ARG 273 N -0.45 1.90 0.29 1.98 0.52 -1.26 -4.96 118.95 116.97 3dwo s ARG 273 Ca 0.22 -2.15 0.26 0.00 -0.52 0.00 0.00 55.73 53.54 3dwo s ARG 273 Cb -0.15 -0.55 0.93 0.00 0.52 0.00 0.00 34.95 35.70 3dwo s ARG 273 CO 0.10 -0.48 1.76 0.52 0.02 0.00 0.00 175.30 177.22 3dwo h MET 274 N 1.83 0.00 -1.18 3.54 2.86 -1.95 -3.44 114.93 116.60 3dwo h MET 274 Ca -0.35 0.00 0.19 0.00 -2.06 0.00 0.00 59.70 57.48 3dwo h MET 274 Cb 1.27 0.00 -0.28 0.00 0.06 0.00 0.00 31.60 32.65 3dwo h MET 274 CO 0.56 0.00 0.84 0.20 1.06 0.00 0.00 176.91 179.56 3dwo s GLY 275 N -3.69 0.10 0.07 8.32 0.00 -1.26 -1.05 107.32 109.81 3dwo s GLY 275 Ca 0.06 2.91 -0.27 0.00 0.00 0.00 0.00 44.72 47.41 3dwo s GLY 275 CO 0.50 1.39 1.12 0.00 0.00 0.00 0.00 173.10 176.11 3dwo s ALA 276 N -0.63 -1.93 0.82 3.20 0.00 -0.57 -5.00 121.76 117.64 3dwo s ALA 276 Ca 0.06 0.37 -0.11 0.00 0.00 0.00 0.00 51.96 52.28 3dwo s ALA 276 Cb -0.02 0.52 0.08 0.00 0.00 0.00 0.00 23.12 23.69 3dwo s ALA 276 CO -0.09 -1.05 1.09 -1.54 0.00 0.00 0.00 175.76 174.17 3dwo s SER 277 N -2.98 4.22 0.24 0.00 1.04 -1.26 -1.24 113.70 113.71 3dwo s SER 277 Ca 0.14 1.56 -0.22 0.00 0.48 0.00 0.00 55.95 57.91 3dwo s SER 277 Cb 0.01 -2.28 0.04 0.00 0.10 0.00 0.00 66.02 63.89 3dwo s SER 277 CO -0.00 -2.17 0.68 0.00 0.98 0.00 0.00 173.24 172.72 3dwo s ALA 278 N -2.99 -1.34 0.14 5.32 0.00 0.20 -4.43 121.76 118.67 3dwo s ALA 278 Ca 0.62 -0.05 -0.10 0.00 0.00 0.00 0.00 51.96 52.43 3dwo s ALA 278 Cb -0.16 0.86 0.00 0.00 0.00 0.00 0.00 23.12 23.82 3dwo s ALA 278 CO 0.56 -0.95 0.29 -1.54 0.00 0.00 0.00 175.76 174.12 3dwo s SER 279 N -2.86 0.02 -0.30 0.00 1.04 -0.36 -0.78 113.70 110.45 3dwo s SER 279 Ca 0.08 -0.73 -0.14 0.00 0.48 0.00 0.00 55.95 55.64 3dwo s SER 279 Cb -0.04 0.42 0.14 0.00 0.10 0.00 0.00 66.02 66.65 3dwo s SER 279 CO 0.00 -0.86 0.86 0.00 0.98 0.00 0.00 173.24 174.23 3dwo s ALA 280 N -3.92 -2.37 0.31 5.32 0.00 -0.14 -1.19 121.76 119.77 3dwo s ALA 280 Ca 0.12 2.20 -0.28 0.00 0.00 0.00 0.00 51.96 54.00 3dwo s ALA 280 Cb 0.03 -1.86 -0.09 0.00 0.00 0.00 0.00 23.12 21.20 3dwo s ALA 280 CO -0.04 -0.80 1.11 1.03 0.00 0.00 0.00 175.76 177.06 3dwo s ARG 281 N 2.33 4.49 -0.45 0.00 0.52 -1.26 -0.86 118.95 123.72 3dwo s ARG 281 Ca -0.05 1.79 0.07 0.00 -0.52 0.00 0.00 55.73 57.02 3dwo s ARG 281 Cb -0.07 -3.03 0.28 0.00 0.52 0.00 0.00 34.95 32.65 3dwo s ARG 281 CO -0.18 0.08 0.87 -0.11 0.02 0.00 0.00 175.30 175.98 3dwo n LEU 282 N 0.86 -1.66 -4.76 2.53 -0.00 0.46 -4.71 117.00 109.72 3dwo n LEU 282 Ca 0.00 -3.92 -0.41 0.00 -0.00 0.00 0.00 56.01 51.68 3dwo n LEU 282 Cb 0.45 0.82 -0.01 0.00 -0.00 0.00 0.00 43.42 44.68 3dwo n LEU 282 CO 0.53 2.08 1.18 -1.81 -0.00 0.00 0.00 177.39 179.36 3dwo s ASP 283 N -1.58 6.38 -0.26 1.96 1.01 -1.25 -4.55 116.67 118.39 3dwo s ASP 283 Ca 0.31 2.98 -0.29 0.00 0.71 0.00 0.00 52.55 56.26 3dwo s ASP 283 Cb 0.25 -2.65 0.01 0.00 1.01 0.00 0.00 42.92 41.54 3dwo s ASP 283 CO -0.14 -0.88 1.14 -0.63 0.21 0.00 0.00 175.17 174.87 3dwo s ILE 284 N -0.55 4.45 0.49 0.77 1.01 -0.41 -4.88 121.20 122.07 3dwo s ILE 284 Ca 0.58 1.71 -0.23 0.00 0.00 0.00 0.00 60.65 62.70 3dwo s ILE 284 Cb -0.47 -4.26 -0.08 0.00 0.01 0.00 0.00 42.46 37.67 3dwo s ILE 284 CO 0.55 -0.32 1.17 -0.81 0.00 0.00 0.00 174.94 175.53 3dwo n PRO 285 N 6.74 1.54 -2.37 2.79 -0.04 -1.26 -0.63 135.00 141.77 3dwo n PRO 285 Ca 0.13 0.56 -0.33 0.00 -0.04 0.00 0.00 63.50 63.82 3dwo n PRO 285 Cb 0.46 -2.31 -0.03 0.00 -0.04 0.00 0.00 33.50 31.58 3dwo n PRO 285 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3dwo s ALA 286 N -1.30 2.94 0.07 0.55 0.00 -1.26 -4.63 121.76 118.13 3dwo s ALA 286 Ca 0.67 0.33 -0.22 0.00 0.00 0.00 0.00 51.96 52.73 3dwo s ALA 286 Cb -0.48 -3.17 0.05 0.00 0.00 0.00 0.00 23.12 19.52 3dwo s ALA 286 CO 0.53 -0.37 0.53 1.52 0.00 0.00 0.00 175.76 177.98 3dwo s TYR 287 N -2.43 -0.44 0.01 0.00 1.13 -0.38 -0.18 117.35 115.06 3dwo s TYR 287 Ca 0.62 0.42 0.03 0.00 -1.41 0.00 0.00 57.07 56.73 3dwo s TYR 287 Cb -0.12 0.38 -0.01 0.00 -1.10 0.00 0.00 41.96 41.10 3dwo s TYR 287 CO 0.29 -0.69 -0.08 0.00 -2.51 0.00 0.00 175.55 172.56 3dwo s ALA 288 N -2.75 0.69 -0.00 9.51 0.00 -0.36 -0.83 121.76 128.01 3dwo s ALA 288 Ca -0.04 -0.49 0.02 0.00 0.00 0.00 0.00 51.96 51.46 3dwo s ALA 288 Cb -0.00 -0.12 -0.01 0.00 0.00 0.00 0.00 23.12 22.99 3dwo s ALA 288 CO -0.04 0.12 -0.08 -1.54 0.00 0.00 0.00 175.76 174.22 3dwo s SER 289 N -0.62 0.93 -0.21 0.00 1.04 -0.36 -0.25 113.70 114.24 3dwo s SER 289 Ca -0.00 -0.16 -0.04 0.00 0.48 0.00 0.00 55.95 56.23 3dwo s SER 289 Cb -0.05 -0.10 -0.01 0.00 0.10 0.00 0.00 66.02 65.96 3dwo s SER 289 CO 0.00 0.09 -0.04 -0.22 0.98 0.00 0.00 173.24 174.05 3dwo s LEU 290 N -0.25 2.96 0.05 2.42 1.98 -0.10 -1.41 118.68 124.34 3dwo s LEU 290 Ca 0.03 -0.34 0.09 0.00 -2.89 0.00 0.00 54.13 51.01 3dwo s LEU 290 Cb -0.03 -1.75 -0.03 0.00 0.66 0.00 0.00 46.19 45.04 3dwo s LEU 290 CO -0.00 0.01 -0.26 -1.81 -1.89 0.00 0.00 176.35 172.40 3dwo s ASP 291 N 1.30 3.23 -0.05 3.68 1.01 0.65 -1.73 116.67 124.76 3dwo s ASP 291 Ca 0.04 -0.59 -0.02 0.00 0.71 0.00 0.00 52.55 52.69 3dwo s ASP 291 Cb -0.14 -0.31 0.03 0.00 1.01 0.00 0.00 42.92 43.51 3dwo s ASP 291 CO -0.01 0.25 0.08 0.86 0.21 0.00 0.00 175.17 176.56 3dwo s TRP 292 N -0.83 -0.03 -0.15 4.23 -0.00 -0.73 0.14 118.94 121.58 3dwo s TRP 292 Ca 0.12 0.32 0.01 0.00 -0.00 0.00 0.00 56.10 56.55 3dwo s TRP 292 Cb -0.10 -0.32 0.02 0.00 -0.00 0.00 0.00 33.47 33.07 3dwo s TRP 292 CO 0.03 -0.18 -0.16 0.08 -0.00 0.00 0.00 176.95 176.72 3dwo s VAL 293 N 1.77 1.68 -0.14 5.86 1.01 -0.28 -1.17 120.40 129.12 3dwo s VAL 293 Ca -0.01 -0.71 0.00 0.00 0.00 0.00 0.00 61.98 61.27 3dwo s VAL 293 Cb -0.12 -1.55 -0.01 0.00 0.00 0.00 0.00 36.38 34.70 3dwo s VAL 293 CO -0.04 0.48 -0.15 -2.28 0.00 0.00 0.00 175.10 173.10 3dwo s HIS 294 N 1.34 2.77 -0.42 5.22 2.46 -0.17 -1.43 115.29 125.07 3dwo s HIS 294 Ca 0.03 -0.93 -0.18 0.00 0.47 0.00 0.00 55.06 54.45 3dwo s HIS 294 Cb -0.13 -1.87 0.02 0.00 -0.13 0.00 0.00 32.58 30.47 3dwo s HIS 294 CO -0.09 -0.40 0.48 -0.65 -2.47 0.00 0.00 174.74 171.61 3dwo s GLN 295 N 0.66 3.15 0.09 2.88 -0.21 -0.60 -1.46 119.66 124.17 3dwo s GLN 295 Ca -0.08 -0.66 -0.13 0.00 0.02 0.00 0.00 55.36 54.51 3dwo s GLN 295 Cb -0.16 -3.96 -0.18 0.00 1.00 0.00 0.00 33.01 29.71 3dwo s GLN 295 CO 0.02 -0.87 1.26 0.74 -2.12 0.00 0.00 175.29 174.33 3dwo h PHE 296 N 8.75 1.06 -2.30 0.91 0.04 -1.39 -3.47 116.94 120.54 3dwo h PHE 296 Ca -0.26 -0.50 -0.02 0.00 2.80 0.00 0.00 57.97 59.98 3dwo h PHE 296 Cb 1.11 -0.15 -0.00 0.00 2.20 0.00 0.00 35.95 39.11 3dwo h PHE 296 CO 0.65 1.34 0.04 0.27 -0.60 0.00 0.00 178.31 180.01 3dwo n ASN 297 N -3.92 -0.50 0.00 2.17 0.23 -1.15 -4.98 115.26 107.10 3dwo n ASN 297 Ca -0.09 -1.40 0.07 0.00 -0.53 0.00 0.00 54.58 52.63 3dwo n ASN 297 Cb 0.79 0.85 0.40 0.00 -2.08 0.00 0.00 39.78 39.74 3dwo n ASN 297 CO 0.00 0.00 0.00 -0.90 -0.93 0.00 0.00 177.26 175.43 3dwo n ASP 298 N -1.35 0.00 0.00 0.53 5.75 -1.26 -3.30 116.55 116.93 3dwo n ASP 298 Ca -0.02 -0.63 0.00 0.00 -0.01 0.00 0.00 54.79 54.14 3dwo n ASP 298 Cb 0.14 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.23 3dwo n ASP 298 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 3dwo n ARG 299 N -0.91 3.25 -4.15 0.11 1.74 -1.26 -4.87 116.66 110.56 3dwo n ARG 299 Ca 0.10 0.00 -0.30 0.00 -0.77 0.00 0.00 57.85 56.89 3dwo n ARG 299 Cb 0.05 -0.45 -0.17 0.00 -1.02 0.00 0.00 32.46 30.87 3dwo n ARG 299 CO 0.00 0.00 0.00 -1.17 -1.52 0.00 0.00 177.63 174.94 3dwo s LEU 300 N -0.90 1.69 -0.06 0.55 1.98 -1.21 -0.88 118.68 119.86 3dwo s LEU 300 Ca 0.00 -0.47 0.02 0.00 -2.89 0.00 0.00 54.13 50.79 3dwo s LEU 300 Cb 0.00 -1.16 0.01 0.00 0.66 0.00 0.00 46.19 45.71 3dwo s LEU 300 CO 0.00 -0.03 -0.12 -0.44 -1.89 0.00 0.00 176.35 173.87 3dwo s SER 301 N 1.34 1.67 0.12 3.68 0.01 -0.67 -0.95 113.70 118.90 3dwo s SER 301 Ca 0.02 -0.28 0.09 0.00 1.31 0.00 0.00 55.95 57.09 3dwo s SER 301 Cb -0.13 -0.75 -0.04 0.00 0.21 0.00 0.00 66.02 65.31 3dwo s SER 301 CO -0.08 0.03 -0.20 -0.76 0.41 0.00 0.00 173.24 172.64 3dwo s LEU 302 N 0.63 2.62 0.05 2.44 1.43 -0.54 -0.71 118.68 124.59 3dwo s LEU 302 Ca -0.13 -0.60 0.03 0.00 -1.03 0.00 0.00 54.13 52.40 3dwo s LEU 302 Cb -0.15 -1.47 -0.02 0.00 0.03 0.00 0.00 46.19 44.57 3dwo s LEU 302 CO 0.03 0.18 -0.09 -0.83 0.23 0.00 0.00 176.35 175.87 3dwo s GLY 303 N -2.11 0.58 0.04 -3.19 0.00 0.29 -1.00 107.32 101.94 3dwo s GLY 303 Ca 0.17 -0.79 0.05 0.00 0.00 0.00 0.00 44.72 44.15 3dwo s GLY 303 CO 0.09 -0.83 -0.13 0.00 0.00 0.00 0.00 173.10 172.23 3dwo s ALA 304 N -1.26 1.10 -0.10 3.20 0.00 -0.32 -1.36 121.76 123.03 3dwo s ALA 304 Ca -0.07 -0.83 -0.11 0.00 0.00 0.00 0.00 51.96 50.95 3dwo s ALA 304 Cb -0.09 -0.15 0.03 0.00 0.00 0.00 0.00 23.12 22.90 3dwo s ALA 304 CO 0.01 0.19 0.31 0.45 0.00 0.00 0.00 175.76 176.72 3dwo s SER 305 N -1.23 -0.29 -0.12 0.00 0.15 -0.02 -1.77 113.70 110.42 3dwo s SER 305 Ca 0.00 0.52 -0.01 0.00 0.70 0.00 0.00 55.95 57.16 3dwo s SER 305 Cb -0.08 0.58 0.04 0.00 -1.71 0.00 0.00 66.02 64.84 3dwo s SER 305 CO 0.01 -0.17 -0.01 0.00 1.20 0.00 0.00 173.24 174.27 3dwo s ALA 306 N -0.12 0.97 -0.15 5.45 0.00 -0.70 -1.07 121.76 126.14 3dwo s ALA 306 Ca -0.03 -0.40 0.00 0.00 0.00 0.00 0.00 51.96 51.53 3dwo s ALA 306 Cb -0.03 -0.91 -0.00 0.00 0.00 0.00 0.00 23.12 22.18 3dwo s ALA 306 CO 0.01 -0.64 -0.15 0.99 0.00 0.00 0.00 175.76 175.97 3dwo s THR 307 N 1.86 2.66 -0.32 0.00 2.01 -0.17 -0.92 115.64 120.75 3dwo s THR 307 Ca 0.03 -0.78 -0.10 0.00 0.31 0.00 0.00 61.69 61.15 3dwo s THR 307 Cb -0.14 -2.12 -0.01 0.00 0.01 0.00 0.00 72.50 70.25 3dwo s THR 307 CO -0.07 0.52 0.18 0.86 -0.69 0.00 0.00 174.62 175.42 3dwo s TRP 308 N 0.78 3.19 -0.20 4.92 -0.00 0.66 -1.29 118.94 127.00 3dwo s TRP 308 Ca -0.06 -0.52 -0.07 0.00 -0.00 0.00 0.00 56.10 55.46 3dwo s TRP 308 Cb -0.15 -2.39 -0.04 0.00 -0.00 0.00 0.00 33.47 30.89 3dwo s TRP 308 CO 0.00 -0.45 0.06 0.99 -0.00 0.00 0.00 176.95 177.55 3dwo s THR 309 N 1.63 4.54 -1.54 5.86 2.01 0.01 -1.23 115.64 126.94 3dwo s THR 309 Ca 0.05 -0.11 -0.09 0.00 0.31 0.00 0.00 61.69 61.84 3dwo s THR 309 Cb -0.17 -3.07 -0.03 0.00 0.01 0.00 0.00 72.50 69.24 3dwo s THR 309 CO 0.07 0.42 2.74 1.21 -0.69 0.00 0.00 174.62 178.38 3dwo n GLU 310 N 3.99 3.83 0.04 4.92 2.13 0.74 -0.95 120.64 135.33 3dwo n GLU 310 Ca -0.16 -2.55 0.06 0.00 0.66 0.00 0.00 57.16 55.16 3dwo n GLU 310 Cb 0.52 -2.81 0.26 0.00 0.27 0.00 0.00 31.44 29.68 3dwo n GLU 310 CO 0.00 0.00 0.00 0.91 -0.41 0.00 0.00 177.13 177.63 3dwo n TRP 311 N 3.41 0.20 0.23 4.31 7.02 -1.26 -2.82 117.44 128.52 3dwo n TRP 311 Ca 0.72 0.09 0.16 0.00 -1.02 0.00 0.00 57.50 57.44 3dwo n TRP 311 Cb 0.25 -0.64 0.84 0.00 -2.42 0.00 0.00 31.31 29.34 3dwo n TRP 311 CO 0.00 0.00 0.00 1.03 -2.02 0.00 0.00 177.69 176.70 3dwo h SER 312 N 0.00 0.00 0.99 -0.99 0.87 -1.74 -0.49 113.55 112.20 3dwo h SER 312 Ca 0.00 0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.55 3dwo h SER 312 Cb 0.15 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 62.11 3dwo h SER 312 CO 0.00 0.00 -0.06 0.77 -0.53 0.00 0.00 176.83 177.01 3dwo h SER 313 N 0.00 0.00 -1.64 6.23 4.64 -1.81 -3.35 113.55 117.61 3dwo h SER 313 Ca 0.00 0.00 -0.70 0.00 -0.47 0.00 0.00 61.79 60.62 3dwo h SER 313 Cb 0.00 0.00 -0.14 0.00 -0.31 0.00 0.00 62.40 61.96 3dwo h SER 313 CO 0.00 0.06 1.63 0.12 -0.87 0.00 0.00 176.83 177.77 3dwo s PHE 314 N -3.67 3.15 -0.02 4.77 5.36 -0.19 -4.70 117.98 122.67 3dwo s PHE 314 Ca 0.01 -1.81 0.00 0.00 -0.96 0.00 0.00 56.93 54.17 3dwo s PHE 314 Cb 0.09 -4.50 -0.26 0.00 -0.34 0.00 0.00 43.02 38.01 3dwo s PHE 314 CO 0.57 -1.59 0.76 1.96 -1.46 0.00 0.00 175.22 175.46 3dwo h GLN 315 N 7.61 0.18 -2.98 10.12 1.08 -1.84 -1.62 115.11 127.66 3dwo h GLN 315 Ca 0.34 -0.31 0.03 0.00 -1.45 0.00 0.00 58.65 57.26 3dwo h GLN 315 Cb 0.89 0.12 -0.09 0.00 -0.05 0.00 0.00 27.48 28.35 3dwo h GLN 315 CO 1.32 0.98 0.23 0.16 -0.95 0.00 0.00 178.83 180.58 3dwo s ASP 316 N -6.78 -0.41 -0.27 1.46 -4.77 -1.26 -0.77 116.67 103.88 3dwo s ASP 316 Ca -0.10 -0.31 -0.00 0.00 -3.30 0.00 0.00 52.55 48.84 3dwo s ASP 316 Cb 0.07 0.66 0.04 0.00 -1.09 0.00 0.00 42.92 42.61 3dwo s ASP 316 CO 0.83 -1.15 -0.05 -0.22 0.70 0.00 0.00 175.17 175.27 3dwo s LEU 317 N -2.83 3.49 -0.21 2.11 0.20 0.63 -4.90 118.68 117.16 3dwo s LEU 317 Ca 0.06 -1.15 -0.00 0.00 0.69 0.00 0.00 54.13 53.73 3dwo s LEU 317 Cb -0.03 -1.65 0.02 0.00 -0.43 0.00 0.00 46.19 44.10 3dwo s LEU 317 CO -0.03 -0.19 -0.13 -0.89 -0.29 0.00 0.00 176.35 174.82 3dwo s THR 318 N 1.24 2.50 -0.11 3.68 2.01 -1.26 -0.58 115.64 123.12 3dwo s THR 318 Ca -0.04 -0.91 -0.24 0.00 0.31 0.00 0.00 61.69 60.81 3dwo s THR 318 Cb -0.19 -2.15 -0.03 0.00 0.01 0.00 0.00 72.50 70.15 3dwo s THR 318 CO -0.04 0.41 0.73 -0.22 -0.69 0.00 0.00 174.62 174.82 3dwo s LEU 319 N 1.32 4.26 0.18 4.42 2.96 -0.06 -4.31 118.68 127.46 3dwo s LEU 319 Ca 0.03 1.16 0.09 0.00 -0.22 0.00 0.00 54.13 55.19 3dwo s LEU 319 Cb -0.14 -3.11 -0.04 0.00 0.50 0.00 0.00 46.19 43.39 3dwo s LEU 319 CO -0.09 -0.21 -0.19 -0.54 -1.32 0.00 0.00 176.35 174.00 3dwo s LYS 320 N 1.28 1.35 -0.09 1.98 1.02 -0.33 -0.32 119.74 124.63 3dwo s LYS 320 Ca 0.37 -1.46 -0.03 0.00 0.02 0.00 0.00 55.97 54.87 3dwo s LYS 320 Cb -0.17 -1.44 0.05 0.00 -0.52 0.00 0.00 37.83 35.75 3dwo s LYS 320 CO 0.16 0.29 0.15 0.45 -0.92 0.00 0.00 175.35 175.48 3dwo s SER 321 N -2.76 0.91 -1.35 2.83 0.15 0.16 -1.23 113.70 112.41 3dwo s SER 321 Ca 0.18 0.23 -0.07 0.00 0.70 0.00 0.00 55.95 56.98 3dwo s SER 321 Cb -0.06 0.21 0.02 0.00 -1.71 0.00 0.00 66.02 64.48 3dwo s SER 321 CO 0.08 -0.26 1.10 1.41 1.20 0.00 0.00 173.24 176.77 3dwo n HIS 322 N 5.32 -2.62 0.00 3.44 8.25 -1.26 -1.67 115.22 126.67 3dwo n HIS 322 Ca -0.05 0.98 0.00 0.00 -0.26 0.00 0.00 57.72 58.39 3dwo n HIS 322 Cb 0.50 -4.87 0.00 0.00 1.12 0.00 0.00 29.99 26.74 3dwo n HIS 322 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3dwo n GLY 323 N -1.77 2.50 3.80 -1.41 0.00 -1.26 -4.99 105.19 102.06 3dwo n GLY 323 Ca -0.06 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.62 3dwo n GLY 323 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3dwo s ASN 324 N -3.46 5.84 0.10 1.61 -0.87 -0.67 -5.05 114.94 112.45 3dwo s ASN 324 Ca 0.00 0.23 -0.31 0.00 -1.57 0.00 0.00 52.86 51.21 3dwo s ASN 324 Cb 0.00 -1.74 -0.07 0.00 -0.02 0.00 0.00 41.25 39.42 3dwo s ASN 324 CO 0.00 0.31 1.31 -0.89 -2.57 0.00 0.00 177.10 175.26 3dwo s THR 325 N -1.14 3.56 -0.22 1.60 2.01 -1.26 0.37 115.64 120.56 3dwo s THR 325 Ca 0.21 1.14 -0.19 0.00 0.31 0.00 0.00 61.69 63.16 3dwo s THR 325 Cb -0.12 -3.73 -0.16 0.00 0.01 0.00 0.00 72.50 68.50 3dwo s THR 325 CO 0.11 0.10 0.04 -0.38 -0.69 0.00 0.00 174.62 173.80 3dwo n ILE 326 N 3.80 1.52 -3.66 1.82 2.08 0.56 -4.79 119.36 120.69 3dwo n ILE 326 Ca 0.10 -0.08 -0.14 0.00 0.56 0.00 0.00 62.75 63.19 3dwo n ILE 326 Cb 0.44 -2.05 -0.08 0.00 -0.75 0.00 0.00 39.64 37.20 3dwo n ILE 326 CO 0.00 0.00 0.00 0.54 0.56 0.00 0.00 176.55 177.65 3dwo s VAL 327 N -2.40 0.00 -0.16 1.39 0.11 -1.17 -5.01 120.40 113.17 3dwo s VAL 327 Ca -0.30 -0.01 0.02 0.00 -2.93 0.00 0.00 61.98 58.76 3dwo s VAL 327 Cb 0.07 -0.86 0.01 0.00 -1.53 0.00 0.00 36.38 34.08 3dwo s VAL 327 CO 0.53 -0.01 -0.21 -0.55 -3.33 0.00 0.00 175.10 171.54 3dwo s SER 328 N 0.21 3.17 -0.27 3.54 0.15 -1.26 -0.88 113.70 118.36 3dwo s SER 328 Ca -0.01 -0.61 -0.04 0.00 0.70 0.00 0.00 55.95 55.99 3dwo s SER 328 Cb -0.04 -1.47 0.01 0.00 -1.71 0.00 0.00 66.02 62.81 3dwo s SER 328 CO 0.01 0.05 0.01 -0.63 1.20 0.00 0.00 173.24 173.88 3dwo s ILE 329 N 1.00 3.49 0.32 6.45 1.01 0.26 -4.96 121.20 128.77 3dwo s ILE 329 Ca -0.02 -0.77 -0.28 0.00 0.00 0.00 0.00 60.65 59.58 3dwo s ILE 329 Cb -0.15 -2.76 -0.09 0.00 0.01 0.00 0.00 42.46 39.47 3dwo s ILE 329 CO -0.06 0.18 1.11 -2.84 0.00 0.00 0.00 174.94 173.33 3dwo s PRO 330 N 1.44 4.47 0.00 2.79 0.02 -1.26 -0.27 135.00 142.18 3dwo s PRO 330 Ca 0.02 1.78 0.00 0.00 0.02 0.00 0.00 61.00 62.82 3dwo s PRO 330 Cb -0.16 -3.00 0.00 0.00 0.02 0.00 0.00 34.50 31.35 3dwo s PRO 330 CO -0.01 0.06 0.00 0.66 -0.33 0.00 0.00 177.00 177.38 3dwo n TYR 331 N 0.80 0.00 -4.04 6.54 4.01 0.05 -4.90 117.16 119.62 3dwo n TYR 331 Ca 0.01 0.00 -0.37 0.00 -0.16 0.00 0.00 57.90 57.38 3dwo n TYR 331 Cb 0.46 0.00 -0.01 0.00 -0.31 0.00 0.00 39.34 39.48 3dwo n TYR 331 CO 0.00 0.00 0.00 0.25 -0.46 0.00 0.00 176.86 176.65 3dwo n THR 332 N -1.24 -1.84 -1.37 -0.72 -2.24 0.03 -4.76 114.28 102.13 3dwo n THR 332 Ca 0.00 -0.48 -0.35 0.00 -2.27 0.00 0.00 64.05 60.95 3dwo n THR 332 Cb 0.24 -1.60 0.10 0.00 -2.10 0.00 0.00 70.33 66.98 3dwo n THR 332 CO 0.00 0.00 0.00 -1.22 -0.57 0.00 0.00 175.07 173.28 3dwo n TYR 333 N -4.35 1.44 -4.05 4.78 4.02 -0.61 -4.86 117.16 113.53 3dwo n TYR 333 Ca -0.14 0.41 -0.28 0.00 -0.01 0.00 0.00 57.90 57.88 3dwo n TYR 333 Cb 0.50 -2.16 -0.06 0.00 -0.02 0.00 0.00 39.34 37.60 3dwo n TYR 333 CO 0.00 0.00 0.00 -0.98 -1.01 0.00 0.00 176.86 174.87 3dwo s ARG 334 N -3.73 2.96 0.78 -0.72 1.70 -0.24 -3.94 118.95 115.75 3dwo s ARG 334 Ca 0.77 -0.76 -0.13 0.00 -0.47 0.00 0.00 55.73 55.14 3dwo s ARG 334 Cb -0.33 -2.72 0.07 0.00 -0.57 0.00 0.00 34.95 31.39 3dwo s ARG 334 CO 0.47 0.53 1.18 -0.80 -1.08 0.00 0.00 175.30 175.59 3dwo s ASN 335 N -2.80 3.95 0.15 -2.89 0.01 -1.26 -4.23 114.94 107.86 3dwo s ASN 335 Ca 0.31 2.25 0.01 0.00 -0.71 0.00 0.00 52.86 54.72 3dwo s ASN 335 Cb -0.11 -2.58 -0.04 0.00 0.41 0.00 0.00 41.25 38.93 3dwo s ASN 335 CO 0.23 -2.42 0.02 0.28 -1.51 0.00 0.00 177.10 173.70 3dwo s THR 336 N -2.25 0.45 0.08 1.60 -1.32 -0.13 -4.90 115.64 109.17 3dwo s THR 336 Ca 0.71 -1.95 0.07 0.00 -1.21 0.00 0.00 61.69 59.31 3dwo s THR 336 Cb -0.26 -2.07 -0.03 0.00 -1.51 0.00 0.00 72.50 68.62 3dwo s THR 336 CO 0.49 -0.49 -0.19 0.26 -2.21 0.00 0.00 174.62 172.48 3dwo s TRP 337 N -3.81 1.67 -0.12 9.09 0.52 -1.26 -0.81 118.94 124.22 3dwo s TRP 337 Ca 0.23 -0.41 -0.04 0.00 0.02 0.00 0.00 56.10 55.91 3dwo s TRP 337 Cb 0.07 -0.94 0.05 0.00 -1.15 0.00 0.00 33.47 31.50 3dwo s TRP 337 CO 0.03 0.15 0.12 -0.08 0.02 0.00 0.00 176.95 177.19 3dwo s THR 338 N -1.07 -0.18 -0.09 2.01 -1.32 -0.41 -1.90 115.64 112.67 3dwo s THR 338 Ca 0.05 0.14 0.00 0.00 -1.21 0.00 0.00 61.69 60.68 3dwo s THR 338 Cb -0.10 -0.40 -0.03 0.00 -1.51 0.00 0.00 72.50 70.46 3dwo s THR 338 CO 0.03 -0.03 -0.08 -0.76 -2.21 0.00 0.00 174.62 171.57 3dwo s LEU 339 N 2.22 3.06 0.03 9.08 1.43 0.23 -1.00 118.68 133.73 3dwo s LEU 339 Ca 0.04 -0.11 0.00 0.00 -1.03 0.00 0.00 54.13 53.03 3dwo s LEU 339 Cb -0.14 -1.68 -0.02 0.00 0.03 0.00 0.00 46.19 44.38 3dwo s LEU 339 CO -0.07 0.30 -0.04 0.00 0.23 0.00 0.00 176.35 176.77 3dwo s ALA 340 N -0.43 0.22 -0.12 4.21 0.00 -0.23 0.64 121.76 126.04 3dwo s ALA 340 Ca 0.06 -0.67 -0.09 0.00 0.00 0.00 0.00 51.96 51.26 3dwo s ALA 340 Cb -0.12 0.15 0.04 0.00 0.00 0.00 0.00 23.12 23.18 3dwo s ALA 340 CO 0.02 -0.16 0.30 0.54 0.00 0.00 0.00 175.76 176.46 3dwo s VAL 341 N -1.66 -0.02 -0.04 0.00 0.11 -0.64 -0.84 120.40 117.32 3dwo s VAL 341 Ca -0.13 0.06 0.00 0.00 -2.93 0.00 0.00 61.98 58.98 3dwo s VAL 341 Cb -0.08 -0.44 0.00 0.00 -1.53 0.00 0.00 36.38 34.33 3dwo s VAL 341 CO -0.02 0.02 0.00 0.61 -3.33 0.00 0.00 175.10 172.39 3dwo n GLY 342 N 3.52 -1.14 3.92 6.54 0.00 -0.47 -1.77 105.19 115.80 3dwo n GLY 342 Ca -0.18 -0.94 -0.01 0.00 0.00 0.00 0.00 46.02 44.89 3dwo n GLY 342 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3dwo s GLY 343 N 0.00 0.02 0.00 -0.02 0.00 -0.80 0.11 107.32 106.63 3dwo s GLY 343 Ca 0.00 -0.19 0.06 0.00 0.00 0.00 0.00 44.72 44.58 3dwo s GLY 343 CO 0.00 3.68 -0.16 0.99 0.00 0.00 0.00 173.10 177.61 3dwo s ASP 344 N -3.56 3.89 -0.12 1.64 1.11 0.11 -2.86 116.67 116.88 3dwo s ASP 344 Ca 0.25 -0.32 -0.01 0.00 0.18 0.00 0.00 52.55 52.64 3dwo s ASP 344 Cb -0.02 -0.71 0.04 0.00 1.07 0.00 0.00 42.92 43.29 3dwo s ASP 344 CO 0.03 0.30 -0.02 -0.47 1.18 0.00 0.00 175.17 176.18 3dwo s TYR 345 N -0.84 1.14 -0.41 4.23 5.04 0.85 -1.68 117.35 125.69 3dwo s TYR 345 Ca 0.13 -0.62 -0.29 0.00 -2.44 0.00 0.00 57.07 53.86 3dwo s TYR 345 Cb -0.11 -1.05 0.02 0.00 0.35 0.00 0.00 41.96 41.18 3dwo s TYR 345 CO 0.03 -0.48 1.09 0.15 -1.34 0.00 0.00 175.55 175.00 3dwo s LYS 346 N 1.82 3.85 -0.01 4.97 1.02 -0.06 0.01 119.74 131.34 3dwo s LYS 346 Ca 0.03 0.74 -0.20 0.00 0.02 0.00 0.00 55.97 56.56 3dwo s LYS 346 Cb -0.14 -3.84 -0.27 0.00 -0.52 0.00 0.00 37.83 33.06 3dwo s LYS 346 CO -0.07 -1.17 1.02 0.28 -0.92 0.00 0.00 175.35 174.49 3dwo h VAL 347 N 6.02 1.45 -1.72 3.17 2.07 -1.57 -3.46 116.25 122.19 3dwo h VAL 347 Ca -0.22 -2.30 0.00 0.00 0.82 0.00 0.00 66.70 65.00 3dwo h VAL 347 Cb 1.06 2.85 0.00 0.00 -1.52 0.00 0.00 31.29 33.68 3dwo h VAL 347 CO 1.08 0.67 0.00 0.35 0.02 0.00 0.00 177.57 179.69 3dwo n THR 348 N -4.14 0.00 0.47 2.57 -2.24 -0.95 -4.98 114.28 105.00 3dwo n THR 348 Ca -0.12 0.00 0.13 0.00 -2.27 0.00 0.00 64.05 61.79 3dwo n THR 348 Cb 0.77 0.00 0.31 0.00 -2.10 0.00 0.00 70.33 69.31 3dwo n THR 348 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 3dwo h ASP 349 N 0.00 0.00 0.00 3.42 3.32 -2.00 -3.35 116.42 117.81 3dwo h ASP 349 Ca 0.00 0.00 -0.28 0.00 0.02 0.00 0.00 57.03 56.77 3dwo h ASP 349 Cb 0.00 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 39.51 3dwo h ASP 349 CO 0.00 0.00 -1.90 0.00 -1.72 0.00 0.00 179.24 175.62 3dwo n GLN 350 N -2.60 0.56 -3.20 3.56 1.13 -1.26 -4.79 117.38 110.79 3dwo n GLN 350 Ca 0.05 0.26 -0.36 0.00 -1.94 0.00 0.00 57.00 55.01 3dwo n GLN 350 Cb 0.47 -1.48 -0.06 0.00 0.11 0.00 0.00 30.24 29.28 3dwo n GLN 350 CO 0.00 0.00 0.00 -1.58 -1.44 0.00 0.00 177.06 174.04 3dwo s TRP 351 N -2.64 3.63 -0.04 1.08 0.52 -1.26 -2.26 118.94 117.98 3dwo s TRP 351 Ca -0.34 1.27 -0.04 0.00 0.02 0.00 0.00 56.10 57.01 3dwo s TRP 351 Cb 0.10 -2.53 0.01 0.00 -1.15 0.00 0.00 33.47 29.91 3dwo s TRP 351 CO 0.47 0.37 0.11 -0.08 0.02 0.00 0.00 176.95 177.84 3dwo s THR 352 N -1.50 -0.00 0.02 2.01 -1.32 -0.65 -1.42 115.64 112.78 3dwo s THR 352 Ca 0.41 0.02 0.06 0.00 -1.21 0.00 0.00 61.69 60.96 3dwo s THR 352 Cb -0.16 -0.16 -0.03 0.00 -1.51 0.00 0.00 72.50 70.63 3dwo s THR 352 CO 0.20 0.01 -0.15 -0.04 -2.21 0.00 0.00 174.62 172.43 3dwo s MET 353 N 0.15 2.24 0.12 7.08 -1.94 0.10 -0.85 119.30 126.20 3dwo s MET 353 Ca -0.01 -0.89 0.05 0.00 -1.71 0.00 0.00 55.69 53.13 3dwo s MET 353 Cb -0.02 -2.28 -0.04 0.00 2.01 0.00 0.00 34.83 34.50 3dwo s MET 353 CO -0.00 0.56 -0.11 1.03 -0.01 0.00 0.00 175.02 176.49 3dwo s ARG 354 N -1.33 0.95 0.07 2.03 0.52 0.19 -0.11 118.95 121.28 3dwo s ARG 354 Ca 0.15 -1.26 -0.26 0.00 -0.52 0.00 0.00 55.73 53.84 3dwo s ARG 354 Cb -0.11 -0.66 0.08 0.00 0.52 0.00 0.00 34.95 34.79 3dwo s ARG 354 CO 0.05 0.11 0.73 0.00 0.02 0.00 0.00 175.30 176.21 3dwo s ALA 355 N -2.59 -1.71 0.00 2.13 0.00 -1.13 -0.43 121.76 118.03 3dwo s ALA 355 Ca 0.09 0.77 0.00 0.00 0.00 0.00 0.00 51.96 52.82 3dwo s ALA 355 Cb -0.02 0.62 0.00 0.00 0.00 0.00 0.00 23.12 23.72 3dwo s ALA 355 CO 0.01 -0.71 0.00 0.41 0.00 0.00 0.00 175.76 175.47 3dwo n GLY 356 N -0.24 0.63 3.13 0.00 0.00 -0.75 -1.90 105.19 106.06 3dwo n GLY 356 Ca -0.14 -0.80 -0.10 0.00 0.00 0.00 0.00 46.02 44.98 3dwo n GLY 356 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3dwo s VAL 357 N -2.00 0.12 0.04 1.61 -7.23 -0.73 -0.66 120.40 111.56 3dwo s VAL 357 Ca 0.00 -0.97 -0.11 0.00 -1.81 0.00 0.00 61.98 59.09 3dwo s VAL 357 Cb 0.00 -0.83 0.01 0.00 0.56 0.00 0.00 36.38 36.12 3dwo s VAL 357 CO 0.00 -0.53 0.23 0.00 -0.31 0.00 0.00 175.10 174.49 3dwo s ALA 358 N -2.40 -0.46 -0.15 1.32 0.00 -0.05 -1.61 121.76 118.40 3dwo s ALA 358 Ca -0.07 -0.20 0.01 0.00 0.00 0.00 0.00 51.96 51.70 3dwo s ALA 358 Cb -0.02 0.31 0.00 0.00 0.00 0.00 0.00 23.12 23.41 3dwo s ALA 358 CO -0.03 -0.39 -0.17 -0.47 0.00 0.00 0.00 175.76 174.70 3dwo s TYR 359 N -2.63 2.76 -0.19 0.00 6.14 0.21 -0.33 117.35 123.31 3dwo s TYR 359 Ca -0.04 -1.16 -0.00 0.00 0.64 0.00 0.00 57.07 56.51 3dwo s TYR 359 Cb -0.01 -1.88 0.05 0.00 0.42 0.00 0.00 41.96 40.54 3dwo s TYR 359 CO -0.04 -0.53 -0.06 0.34 0.64 0.00 0.00 175.55 175.90 3dwo s ASP 360 N 0.87 3.13 0.26 4.32 2.15 -0.22 -0.60 116.67 126.59 3dwo s ASP 360 Ca -0.05 -0.81 -0.30 0.00 0.43 0.00 0.00 52.55 51.83 3dwo s ASP 360 Cb -0.15 -1.00 -0.09 0.00 -0.30 0.00 0.00 42.92 41.37 3dwo s ASP 360 CO -0.02 -0.19 1.03 -1.10 -0.17 0.00 0.00 175.17 174.72 3dwo s GLN 361 N 1.56 4.74 0.22 4.34 -0.21 -0.80 -0.36 119.66 129.14 3dwo s GLN 361 Ca -0.01 1.66 -0.23 0.00 0.02 0.00 0.00 55.36 56.80 3dwo s GLN 361 Cb -0.16 -3.23 -0.08 0.00 1.00 0.00 0.00 33.01 30.53 3dwo s GLN 361 CO -0.08 0.35 0.79 -0.08 -2.12 0.00 0.00 175.29 174.15 3dwo s THR 362 N -1.15 4.41 -1.17 -0.19 -1.32 -1.26 -3.22 115.64 111.74 3dwo s THR 362 Ca 0.43 1.57 0.27 0.00 -1.21 0.00 0.00 61.69 62.75 3dwo s THR 362 Cb -0.29 -4.01 0.19 0.00 -1.51 0.00 0.00 72.50 66.88 3dwo s THR 362 CO 0.37 0.33 1.69 -0.81 -2.21 0.00 0.00 174.62 173.99 3dwo n PRO 363 N 1.07 0.18 -1.65 7.08 -0.04 -1.26 -4.88 135.00 135.50 3dwo n PRO 363 Ca -0.03 -0.07 -0.31 0.00 -0.04 0.00 0.00 63.50 63.05 3dwo n PRO 363 Cb 0.50 -1.50 0.05 0.00 -0.04 0.00 0.00 33.50 32.51 3dwo n PRO 363 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 3dwo s THR 364 N -2.87 4.02 0.02 0.52 -4.23 -1.26 -1.08 115.64 110.75 3dwo s THR 364 Ca 0.16 0.65 -0.06 0.00 -1.18 0.00 0.00 61.69 61.26 3dwo s THR 364 Cb 0.19 -3.47 -0.00 0.00 1.34 0.00 0.00 72.50 70.56 3dwo s THR 364 CO 0.59 -0.86 0.12 -1.38 -0.54 0.00 0.00 174.62 172.55 3dwo s HIS 365 N -3.11 0.10 0.31 3.99 -3.43 -1.26 -4.84 115.29 107.05 3dwo s HIS 365 Ca 0.58 -0.28 0.03 0.00 -0.80 0.00 0.00 55.06 54.58 3dwo s HIS 365 Cb -0.13 -0.08 0.79 0.00 -1.43 0.00 0.00 32.58 31.73 3dwo s HIS 365 CO 0.54 -0.32 1.57 -0.91 -2.00 0.00 0.00 174.74 173.63 3dwo h ASN 366 N 4.04 -0.45 0.19 7.38 4.21 -1.95 -0.23 115.58 128.78 3dwo h ASN 366 Ca -0.31 0.28 -0.04 0.00 1.21 0.00 0.00 56.30 57.44 3dwo h ASN 366 Cb 1.19 0.48 -0.01 0.00 -1.12 0.00 0.00 38.32 38.87 3dwo h ASN 366 CO 0.44 -0.37 -0.17 0.00 -1.29 0.00 0.00 177.43 176.04 3dwo h ALA 367 N 1.99 1.65 0.00 -0.83 0.00 -1.96 -3.33 119.26 116.79 3dwo h ALA 367 Ca 0.62 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 55.37 3dwo h ALA 367 Cb 1.30 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.06 3dwo h ALA 367 CO -0.92 0.21 -0.24 0.25 0.00 0.00 0.00 179.25 178.54 3dwo n THR 368 N -4.24 0.00 -1.72 0.00 -2.24 -0.62 -4.75 114.28 100.71 3dwo n THR 368 Ca -0.02 -0.39 -0.43 0.00 -2.27 0.00 0.00 64.05 60.94 3dwo n THR 368 Cb 0.24 0.91 -0.02 0.00 -2.10 0.00 0.00 70.33 69.36 3dwo n THR 368 CO 0.00 0.00 0.00 -1.14 -0.57 0.00 0.00 175.07 173.36 3dwo n ARG 369 N -1.13 2.39 -4.21 -0.78 0.63 -0.19 -4.94 116.66 108.44 3dwo n ARG 369 Ca 0.00 0.85 -0.22 0.00 -0.92 0.00 0.00 57.85 57.56 3dwo n ARG 369 Cb 0.03 -2.55 -0.07 0.00 0.45 0.00 0.00 32.46 30.32 3dwo n ARG 369 CO 0.00 0.00 0.00 -0.40 -2.51 0.00 0.00 177.63 174.72 3dwo n ASP 370 N 1.79 0.68 0.30 6.15 5.68 -1.26 -4.20 116.55 125.68 3dwo n ASP 370 Ca 0.08 -3.04 0.20 0.00 -0.50 0.00 0.00 54.79 51.53 3dwo n ASP 370 Cb 0.35 1.14 0.95 0.00 -1.14 0.00 0.00 41.12 42.42 3dwo n ASP 370 CO 0.00 0.00 0.00 -0.65 -1.33 0.00 0.00 177.20 175.22 3dwo h PRO 371 N 0.00 0.00 0.06 0.11 0.11 -1.94 -3.05 132.00 127.30 3dwo h PRO 371 Ca -0.28 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.83 3dwo h PRO 371 Cb 1.14 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.25 3dwo h PRO 371 CO 0.43 0.00 -0.03 0.00 -0.21 0.00 0.00 178.00 178.19 3dwo h ARG 372 N 0.00 -0.08 -2.45 1.05 3.08 -1.96 -3.37 114.38 110.66 3dwo h ARG 372 Ca 0.00 0.01 -0.59 0.00 0.07 0.00 0.00 59.98 59.46 3dwo h ARG 372 Cb 0.22 0.02 -0.39 0.00 0.08 0.00 0.00 29.97 29.89 3dwo h ARG 372 CO 0.00 0.05 -0.87 -0.89 -1.07 0.00 0.00 179.97 177.19 3dwo n ILE 373 N -5.07 -0.14 -1.98 2.04 2.08 -1.21 -4.59 119.36 110.48 3dwo n ILE 373 Ca -0.08 -4.03 -0.40 0.00 0.56 0.00 0.00 62.75 58.80 3dwo n ILE 373 Cb 0.11 -1.87 -0.00 0.00 -0.75 0.00 0.00 39.64 37.12 3dwo n ILE 373 CO 0.00 0.00 0.00 -0.81 0.56 0.00 0.00 176.55 176.30 3dwo n PRO 374 N 2.19 4.52 -3.19 0.38 -0.04 -1.15 -4.51 135.00 133.20 3dwo n PRO 374 Ca 0.26 -3.42 -0.19 0.00 -0.04 0.00 0.00 63.50 60.11 3dwo n PRO 374 Cb 0.45 -2.65 0.01 0.00 -0.04 0.00 0.00 33.50 31.26 3dwo n PRO 374 CO 0.00 0.00 0.00 0.16 -0.04 0.00 0.00 175.50 175.62 3dwo s ASP 375 N 0.46 5.39 0.27 3.54 -4.77 -1.26 -4.86 116.67 115.45 3dwo s ASP 375 Ca 0.54 -0.59 0.04 0.00 -3.30 0.00 0.00 52.55 49.24 3dwo s ASP 375 Cb 0.18 -0.47 -0.01 0.00 -1.09 0.00 0.00 42.92 41.53 3dwo s ASP 375 CO -0.09 -0.82 0.28 0.61 0.70 0.00 0.00 175.17 175.85 3dwo n GLY 376 N -1.82 2.89 3.65 2.12 0.00 -1.26 -4.83 105.19 105.93 3dwo n GLY 376 Ca 0.08 -1.77 -0.41 0.00 0.00 0.00 0.00 46.02 43.92 3dwo n GLY 376 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3dwo n ASP 377 N -1.88 1.71 -4.34 1.61 8.00 -1.26 -4.35 116.55 116.04 3dwo n ASP 377 Ca 0.05 1.04 -0.25 0.00 0.71 0.00 0.00 54.79 56.34 3dwo n ASP 377 Cb 0.48 -1.41 -0.12 0.00 -0.02 0.00 0.00 41.12 40.05 3dwo n ASP 377 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 3dwo s ARG 378 N -2.18 1.27 -0.13 -1.24 3.00 0.51 -2.21 118.95 117.98 3dwo s ARG 378 Ca 0.64 -1.32 0.01 0.00 0.00 0.00 0.00 55.73 55.06 3dwo s ARG 378 Cb -0.52 -1.54 -0.01 0.00 0.00 0.00 0.00 34.95 32.88 3dwo s ARG 378 CO 0.56 0.34 -0.15 0.71 0.00 0.00 0.00 175.30 176.76 3dwo s TYR 379 N -1.45 2.77 -0.14 -0.53 2.02 0.03 -1.05 117.35 119.00 3dwo s TYR 379 Ca 0.12 -0.80 -0.03 0.00 -0.37 0.00 0.00 57.07 55.99 3dwo s TYR 379 Cb -0.09 -1.84 -0.03 0.00 -0.40 0.00 0.00 41.96 39.61 3dwo s TYR 379 CO 0.06 -0.31 -0.02 -0.06 -1.57 0.00 0.00 175.55 173.65 3dwo s PHE 380 N 0.48 3.07 -0.15 2.71 2.99 0.55 -0.73 117.98 126.89 3dwo s PHE 380 Ca -0.11 -0.14 0.00 0.00 0.00 0.00 0.00 56.93 56.68 3dwo s PHE 380 Cb -0.16 -1.92 0.03 0.00 0.00 0.00 0.00 43.02 40.97 3dwo s PHE 380 CO 0.05 0.10 -0.10 0.00 -0.00 0.00 0.00 175.22 175.27 3dwo s ALA 381 N 0.05 1.70 0.11 5.36 0.00 -0.49 -0.87 121.76 127.62 3dwo s ALA 381 Ca 0.01 -0.86 0.08 0.00 0.00 0.00 0.00 51.96 51.18 3dwo s ALA 381 Cb -0.13 -1.08 -0.04 0.00 0.00 0.00 0.00 23.12 21.88 3dwo s ALA 381 CO 0.02 -0.54 -0.19 -1.12 0.00 0.00 0.00 175.76 173.94 3dwo s SER 382 N 1.55 2.36 -0.01 0.00 0.01 0.17 -1.17 113.70 116.61 3dwo s SER 382 Ca 0.03 -0.71 0.02 0.00 1.31 0.00 0.00 55.95 56.60 3dwo s SER 382 Cb -0.14 -0.12 -0.00 0.00 0.21 0.00 0.00 66.02 65.97 3dwo s SER 382 CO -0.09 0.00 -0.07 -0.76 0.41 0.00 0.00 173.24 172.74 3dwo s LEU 383 N -2.03 2.01 0.14 2.44 1.43 -0.66 -1.82 118.68 120.19 3dwo s LEU 383 Ca 0.06 -0.12 -0.10 0.00 -1.03 0.00 0.00 54.13 52.94 3dwo s LEU 383 Cb -0.09 -0.34 0.00 0.00 0.03 0.00 0.00 46.19 45.79 3dwo s LEU 383 CO 0.04 0.08 0.29 -0.83 0.23 0.00 0.00 176.35 176.16 3dwo s GLY 384 N -0.15 0.20 -0.02 -3.19 0.00 0.42 -1.43 107.32 103.16 3dwo s GLY 384 Ca 0.02 -0.63 -0.13 0.00 0.00 0.00 0.00 44.72 43.98 3dwo s GLY 384 CO -0.00 -0.71 0.27 0.00 0.00 0.00 0.00 173.10 172.66 3dwo s ALA 385 N -3.90 -0.69 0.01 3.20 0.00 -0.66 0.55 121.76 120.27 3dwo s ALA 385 Ca 0.10 0.26 0.02 0.00 0.00 0.00 0.00 51.96 52.34 3dwo s ALA 385 Cb 0.03 0.05 -0.01 0.00 0.00 0.00 0.00 23.12 23.20 3dwo s ALA 385 CO -0.06 -0.24 -0.06 0.20 0.00 0.00 0.00 175.76 175.60 3dwo s GLY 386 N -1.26 0.35 -0.08 0.00 0.00 -0.03 -1.17 107.32 105.14 3dwo s GLY 386 Ca -0.13 -0.40 -0.01 0.00 0.00 0.00 0.00 44.72 44.18 3dwo s GLY 386 CO 0.03 -0.38 -0.02 -0.47 0.00 0.00 0.00 173.10 172.27 3dwo s TYR 387 N -0.48 0.88 -0.18 1.90 5.04 0.56 -1.64 117.35 123.43 3dwo s TYR 387 Ca -0.01 -0.31 -0.12 0.00 -2.44 0.00 0.00 57.07 54.19 3dwo s TYR 387 Cb -0.04 -0.91 -0.05 0.00 0.35 0.00 0.00 41.96 41.31 3dwo s TYR 387 CO -0.00 -0.37 0.22 -0.98 -1.34 0.00 0.00 175.55 173.08 3dwo s ARG 388 N 1.87 4.21 0.26 4.97 1.70 -0.96 -0.95 118.95 130.04 3dwo s ARG 388 Ca 0.04 -0.04 -0.30 0.00 -0.47 0.00 0.00 55.73 54.96 3dwo s ARG 388 Cb -0.12 -3.42 -0.10 0.00 -0.57 0.00 0.00 34.95 30.74 3dwo s ARG 388 CO -0.06 0.28 1.35 -0.06 -1.08 0.00 0.00 175.30 175.73 3dwo s PHE 389 N 0.38 3.12 0.01 5.89 0.08 -0.90 -4.74 117.98 121.82 3dwo s PHE 389 Ca 0.13 1.22 -0.21 0.00 0.12 0.00 0.00 56.93 58.19 3dwo s PHE 389 Cb -0.12 -3.70 -0.12 0.00 -0.57 0.00 0.00 43.02 38.52 3dwo s PHE 389 CO 0.01 -2.13 1.04 -0.56 -0.10 0.00 0.00 175.22 173.49 3dwo h GLN 390 N 4.62 -0.73 -0.95 0.44 -0.00 -1.97 -3.29 115.11 113.24 3dwo h GLN 390 Ca -0.46 0.05 -0.29 0.00 -0.00 0.00 0.00 58.65 57.95 3dwo h GLN 390 Cb 1.22 0.17 -0.17 0.00 -0.00 0.00 0.00 27.48 28.69 3dwo h GLN 390 CO 0.74 -0.49 0.36 -1.13 -0.00 0.00 0.00 178.83 178.31 3dwo n SER 391 N -4.62 3.63 -4.46 0.06 3.41 -1.26 -4.93 113.62 105.45 3dwo n SER 391 Ca -0.09 -3.00 -0.32 0.00 -0.26 0.00 0.00 58.87 55.20 3dwo n SER 391 Cb 0.30 -0.71 -0.13 0.00 -0.26 0.00 0.00 64.21 63.41 3dwo n SER 391 CO 0.00 0.00 0.00 -0.32 -0.16 0.00 0.00 175.04 174.56 3dwo s MET 392 N -2.21 2.32 0.00 4.33 0.00 -1.24 -4.97 119.30 117.53 3dwo s MET 392 Ca 0.38 -0.82 0.00 0.00 0.00 0.00 0.00 55.69 55.25 3dwo s MET 392 Cb 0.31 -2.29 0.00 0.00 0.00 0.00 0.00 34.83 32.85 3dwo s MET 392 CO 0.08 0.59 0.25 -2.30 0.00 0.00 0.00 175.02 173.64 3dwo n PRO 393 N 2.01 0.26 -0.81 4.11 -0.02 -1.26 -4.52 135.00 134.76 3dwo n PRO 393 Ca -0.17 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.31 3dwo n PRO 393 Cb 0.52 -1.36 0.00 0.00 -0.02 0.00 0.00 33.50 32.64 3dwo n PRO 393 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 3dwo n GLU 394 N 0.84 0.00 -3.66 -0.52 -0.58 -1.26 -4.69 120.64 110.77 3dwo n GLU 394 Ca 0.00 0.27 -0.21 0.00 -0.42 0.00 0.00 57.16 56.81 3dwo n GLU 394 Cb 0.13 -0.64 -0.18 0.00 -0.57 0.00 0.00 31.44 30.18 3dwo n GLU 394 CO 0.00 0.00 0.00 -1.17 -0.48 0.00 0.00 177.13 175.48 3dwo s LEU 395 N -0.19 0.15 0.05 -4.62 1.98 -1.26 -2.29 118.68 112.50 3dwo s LEU 395 Ca 0.00 0.01 0.07 0.00 -2.89 0.00 0.00 54.13 51.32 3dwo s LEU 395 Cb 0.00 -0.12 -0.03 0.00 0.66 0.00 0.00 46.19 46.69 3dwo s LEU 395 CO 0.00 -0.26 -0.15 -0.94 -1.89 0.00 0.00 176.35 173.11 3dwo s SER 396 N 2.17 4.02 -0.03 3.68 1.04 -0.14 -2.11 113.70 122.33 3dwo s SER 396 Ca 0.05 -0.39 0.07 0.00 0.48 0.00 0.00 55.95 56.15 3dwo s SER 396 Cb -0.13 -0.71 -0.02 0.00 0.10 0.00 0.00 66.02 65.27 3dwo s SER 396 CO -0.04 0.24 -0.25 -0.63 0.98 0.00 0.00 173.24 173.54 3dwo s ILE 397 N -1.00 2.16 0.05 -1.02 -1.09 -0.13 -0.86 121.20 119.31 3dwo s ILE 397 Ca 0.16 -1.06 0.04 0.00 -2.23 0.00 0.00 60.65 57.56 3dwo s ILE 397 Cb -0.11 -1.76 -0.02 0.00 -1.58 0.00 0.00 42.46 38.99 3dwo s ILE 397 CO 0.07 0.58 -0.12 -1.81 -1.23 0.00 0.00 174.94 172.43 3dwo s ASP 398 N -0.53 1.44 0.09 3.58 -0.00 -0.72 -0.33 116.67 120.21 3dwo s ASP 398 Ca 0.07 -0.52 0.04 0.00 -0.00 0.00 0.00 52.55 52.14 3dwo s ASP 398 Cb -0.11 -0.05 -0.03 0.00 -0.00 0.00 0.00 42.92 42.73 3dwo s ASP 398 CO 0.00 -0.06 -0.11 0.00 -0.00 0.00 0.00 175.17 175.00 3dwo s ALA 399 N -1.09 1.13 -0.02 5.23 0.00 -0.31 -1.68 121.76 125.02 3dwo s ALA 399 Ca -0.02 -1.15 -0.28 0.00 0.00 0.00 0.00 51.96 50.50 3dwo s ALA 399 Cb -0.09 0.00 0.06 0.00 0.00 0.00 0.00 23.12 23.10 3dwo s ALA 399 CO 0.01 0.00 0.63 0.00 0.00 0.00 0.00 175.76 176.41 3dwo s ALA 400 N -2.20 -1.64 -0.02 0.00 0.00 -0.51 -1.65 121.76 115.73 3dwo s ALA 400 Ca 0.04 1.10 0.02 0.00 0.00 0.00 0.00 51.96 53.11 3dwo s ALA 400 Cb -0.04 0.13 0.01 0.00 0.00 0.00 0.00 23.12 23.21 3dwo s ALA 400 CO 0.01 -0.42 -0.06 -0.47 0.00 0.00 0.00 175.76 174.82 3dwo s TYR 401 N -1.57 0.66 -0.03 0.00 5.04 -0.51 -1.06 117.35 119.87 3dwo s TYR 401 Ca -0.09 -0.14 -0.00 0.00 -2.44 0.00 0.00 57.07 54.39 3dwo s TYR 401 Cb -0.01 -0.50 0.03 0.00 0.35 0.00 0.00 41.96 41.84 3dwo s TYR 401 CO 0.06 -0.08 0.05 0.45 -1.34 0.00 0.00 175.55 174.69 3dwo s SER 402 N 0.27 0.04 -0.09 4.32 0.15 -0.25 -1.64 113.70 116.49 3dwo s SER 402 Ca -0.03 0.08 0.00 0.00 0.70 0.00 0.00 55.95 56.70 3dwo s SER 402 Cb -0.07 -0.03 -0.03 0.00 -1.71 0.00 0.00 66.02 64.18 3dwo s SER 402 CO -0.00 -0.13 -0.08 -0.60 1.20 0.00 0.00 173.24 173.62 3dwo s ARG 403 N 1.08 3.02 -0.24 5.44 6.06 -0.31 -0.07 118.95 133.93 3dwo s ARG 403 Ca -0.09 -0.59 -0.01 0.00 -2.50 0.00 0.00 55.73 52.54 3dwo s ARG 403 Cb -0.13 -2.64 0.02 0.00 0.06 0.00 0.00 34.95 32.27 3dwo s ARG 403 CO -0.03 0.49 -0.08 -0.65 -2.50 0.00 0.00 175.30 172.52 3dwo s GLN 404 N -0.35 2.87 -0.37 5.12 1.11 0.94 -1.39 119.66 127.59 3dwo s GLN 404 Ca 0.05 -0.94 -0.17 0.00 0.01 0.00 0.00 55.36 54.31 3dwo s GLN 404 Cb -0.12 -2.92 0.00 0.00 -1.01 0.00 0.00 33.01 28.96 3dwo s GLN 404 CO 0.02 -0.36 0.43 -0.06 0.01 0.00 0.00 175.29 175.33 3dwo s PHE 405 N 1.32 3.18 -0.15 0.91 0.40 0.09 -2.46 117.98 121.28 3dwo s PHE 405 Ca 0.01 -0.10 -0.07 0.00 -0.60 0.00 0.00 56.93 56.17 3dwo s PHE 405 Cb -0.16 -2.82 -0.04 0.00 0.51 0.00 0.00 43.02 40.51 3dwo s PHE 405 CO -0.06 -0.56 0.07 0.08 0.70 0.00 0.00 175.22 175.45 3dwo s VAL 406 N 2.17 4.91 0.46 -0.44 1.01 -1.26 -0.79 120.40 126.47 3dwo s VAL 406 Ca 0.14 -0.00 -0.22 0.00 0.00 0.00 0.00 61.98 61.90 3dwo s VAL 406 Cb -0.16 -3.17 -0.08 0.00 0.00 0.00 0.00 36.38 32.96 3dwo s VAL 406 CO 0.13 0.52 1.09 -1.59 0.00 0.00 0.00 175.10 175.25 3dwo s LYS 407 N -0.15 3.81 0.10 2.72 -2.85 -0.94 -4.66 119.74 117.78 3dwo s LYS 407 Ca 0.08 1.56 -0.31 0.00 -1.00 0.00 0.00 55.97 56.29 3dwo s LYS 407 Cb -0.12 -2.29 -0.08 0.00 -2.06 0.00 0.00 37.83 33.28 3dwo s LYS 407 CO 0.01 -0.45 1.46 -2.00 0.10 0.00 0.00 175.35 174.46 3dwo s GLU 408 N -2.89 4.28 0.20 1.78 2.12 -1.26 -4.44 118.70 118.49 3dwo s GLU 408 Ca 0.65 2.14 0.11 0.00 0.36 0.00 0.00 54.97 58.23 3dwo s GLU 408 Cb -0.22 -3.33 -0.04 0.00 0.26 0.00 0.00 34.13 30.79 3dwo s GLU 408 CO 0.27 -0.53 -0.23 0.14 -0.54 0.00 0.00 175.26 174.37 3dwo s VAL 409 N 1.54 2.36 0.36 3.70 -7.23 -1.01 -4.98 120.40 115.14 3dwo s VAL 409 Ca 0.67 -2.08 -0.12 0.00 -1.81 0.00 0.00 61.98 58.64 3dwo s VAL 409 Cb -0.37 -2.14 -0.08 0.00 0.56 0.00 0.00 36.38 34.35 3dwo s VAL 409 CO 0.30 -0.15 0.74 -2.16 -0.31 0.00 0.00 175.10 173.52 3dwo s PRO 410 N -2.77 3.88 -0.18 4.82 0.04 -1.26 -0.76 135.00 138.76 3dwo s PRO 410 Ca 0.22 0.54 0.00 0.00 0.04 0.00 0.00 61.00 61.80 3dwo s PRO 410 Cb -0.08 -2.43 0.04 0.00 0.04 0.00 0.00 34.50 32.08 3dwo s PRO 410 CO 0.10 0.07 -0.10 -0.51 0.04 0.00 0.00 177.00 176.61 3dwo s LEU 411 N -3.41 2.04 -0.15 -3.56 1.02 0.11 -4.84 118.68 109.89 3dwo s LEU 411 Ca 0.52 -0.78 0.14 0.00 0.02 0.00 0.00 54.13 54.03 3dwo s LEU 411 Cb -0.10 -1.15 0.38 0.00 0.02 0.00 0.00 46.19 45.34 3dwo s LEU 411 CO 0.25 -0.14 1.19 0.29 0.02 0.00 0.00 176.35 177.95 3dwo n LYS 412 N 4.74 1.18 -1.62 1.70 4.76 -1.26 -1.75 118.16 125.91 3dwo n LYS 412 Ca -0.14 -2.84 -0.49 0.00 -2.87 0.00 0.00 58.31 51.97 3dwo n LYS 412 Cb 0.47 -1.26 -0.05 0.00 -1.84 0.00 0.00 35.03 32.36 3dwo n LYS 412 CO 0.00 0.00 0.00 2.41 -1.37 0.00 0.00 177.40 178.44 3dwo n THR 413 N -0.83 0.27 -5.09 -0.18 -1.04 -1.25 -4.61 114.28 101.55 3dwo n THR 413 Ca 0.15 -0.07 -0.30 0.00 -2.04 0.00 0.00 64.05 61.80 3dwo n THR 413 Cb 0.76 -1.13 -0.17 0.00 -1.82 0.00 0.00 70.33 67.98 3dwo n THR 413 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 3dwo s VAL 414 N 0.44 1.85 0.03 12.58 1.01 -1.26 0.41 120.40 135.44 3dwo s VAL 414 Ca 0.79 -0.91 -0.19 0.00 0.00 0.00 0.00 61.98 61.67 3dwo s VAL 414 Cb -0.81 -1.60 -0.06 0.00 0.00 0.00 0.00 36.38 33.91 3dwo s VAL 414 CO 0.45 0.51 0.54 0.20 0.00 0.00 0.00 175.10 176.81 3dwo s ASN 415 N 0.27 6.97 1.10 3.32 0.01 0.36 -4.99 114.94 121.98 3dwo s ASN 415 Ca -0.14 1.16 -0.13 0.00 -0.71 0.00 0.00 52.86 53.04 3dwo s ASN 415 Cb -0.16 -2.34 0.25 0.00 0.41 0.00 0.00 41.25 39.41 3dwo s ASN 415 CO 0.07 0.22 1.06 0.00 -1.51 0.00 0.00 177.10 176.93 3dwo s GLN 416 N -0.76 -0.42 0.14 -0.60 -2.07 -1.26 -3.50 119.66 111.20 3dwo s GLN 416 Ca 0.28 0.64 -0.28 0.00 -1.82 0.00 0.00 55.36 54.18 3dwo s GLN 416 Cb -0.18 -1.63 -0.02 0.00 -1.09 0.00 0.00 33.01 30.09 3dwo s GLN 416 CO 0.17 -3.33 1.58 -0.44 -1.32 0.00 0.00 175.29 171.95 3dwo h ASP 417 N -2.33 -1.34 0.24 12.60 3.32 -1.95 -1.63 116.42 125.33 3dwo h ASP 417 Ca -0.59 0.19 0.00 0.00 0.02 0.00 0.00 57.03 56.65 3dwo h ASP 417 Cb 1.34 0.57 0.00 0.00 0.22 0.00 0.00 39.33 41.46 3dwo h ASP 417 CO 0.54 -0.39 0.00 -2.11 -1.72 0.00 0.00 179.24 175.56 3dwo n ARG 418 N -5.42 0.04 -0.46 3.56 1.85 -1.26 -1.62 116.66 113.34 3dwo n ARG 418 Ca -0.02 0.43 0.11 0.00 -1.00 0.00 0.00 57.85 57.36 3dwo n ARG 418 Cb 0.35 -1.60 0.33 0.00 -1.05 0.00 0.00 32.46 30.49 3dwo n ARG 418 CO 0.00 0.00 0.00 1.28 -0.01 0.00 0.00 177.63 178.90 3dwo n LEU 419 N -1.68 4.22 0.00 2.89 4.77 -0.64 -4.73 117.00 121.83 3dwo n LEU 419 Ca 0.01 -2.18 0.00 0.00 -0.03 0.00 0.00 56.01 53.81 3dwo n LEU 419 Cb 0.08 -0.51 0.00 0.00 -2.33 0.00 0.00 43.42 40.66 3dwo n LEU 419 CO 0.08 0.91 0.00 0.61 -1.33 0.00 0.00 177.39 177.66 3dwo n GLY 420 N 1.37 1.17 2.55 -0.72 0.00 -0.64 -4.65 105.19 104.28 3dwo n GLY 420 Ca 0.24 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.18 3dwo n GLY 420 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3dwo n GLY 421 N -1.54 0.93 3.67 -0.02 0.00 -1.03 -3.94 105.19 103.26 3dwo n GLY 421 Ca 0.00 -0.19 -0.28 0.00 0.00 0.00 0.00 46.02 45.56 3dwo n GLY 421 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3dwo n GLY 422 N -0.74 -1.40 3.40 -0.02 0.00 -1.26 -3.89 105.19 101.28 3dwo n GLY 422 Ca -0.08 -1.72 -0.15 0.00 0.00 0.00 0.00 46.02 44.07 3dwo n GLY 422 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3dwo s ARG 423 N -5.73 1.01 0.16 1.61 1.70 -0.81 -0.49 118.95 116.40 3dwo s ARG 423 Ca 0.71 -0.14 0.06 0.00 -0.47 0.00 0.00 55.73 55.90 3dwo s ARG 423 Cb -0.02 0.46 -0.04 0.00 -0.57 0.00 0.00 34.95 34.79 3dwo s ARG 423 CO 0.50 -0.35 0.06 -0.51 -1.08 0.00 0.00 175.30 173.92 3dwo s LEU 424 N -1.77 3.57 -0.37 -1.89 1.43 0.16 -0.93 118.68 118.87 3dwo s LEU 424 Ca -0.07 -0.24 0.04 0.00 -1.03 0.00 0.00 54.13 52.82 3dwo s LEU 424 Cb -0.01 -2.21 0.16 0.00 0.03 0.00 0.00 46.19 44.16 3dwo s LEU 424 CO 0.01 0.09 0.40 -0.62 0.23 0.00 0.00 176.35 176.46 3dwo s ASP 425 N -2.93 0.92 0.00 2.29 3.68 -0.61 -3.81 116.67 116.21 3dwo s ASP 425 Ca 0.29 -1.51 0.00 0.00 2.13 0.00 0.00 52.55 53.46 3dwo s ASP 425 Cb -0.10 0.69 0.00 0.00 -1.45 0.00 0.00 42.92 42.06 3dwo s ASP 425 CO 0.21 -0.25 0.00 0.61 0.13 0.00 0.00 175.17 175.87 3dwo n GLY 426 N 4.26 1.83 3.18 2.66 0.00 -0.72 -0.90 105.19 115.50 3dwo n GLY 426 Ca 0.11 -0.59 -0.12 0.00 0.00 0.00 0.00 46.02 45.42 3dwo n GLY 426 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3dwo s ARG 427 N 1.24 0.59 -0.09 1.61 1.70 -0.45 0.04 118.95 123.59 3dwo s ARG 427 Ca 0.00 -0.29 -0.02 0.00 -0.47 0.00 0.00 55.73 54.95 3dwo s ARG 427 Cb 0.00 0.25 -0.03 0.00 -0.57 0.00 0.00 34.95 34.60 3dwo s ARG 427 CO 0.00 -0.15 0.02 0.00 -1.08 0.00 0.00 175.30 174.08 3dwo s ALA 428 N -1.35 3.34 -0.13 7.88 0.00 0.06 -1.73 121.76 129.83 3dwo s ALA 428 Ca -0.14 -0.79 0.03 0.00 0.00 0.00 0.00 51.96 51.06 3dwo s ALA 428 Cb -0.06 -1.54 0.01 0.00 0.00 0.00 0.00 23.12 21.53 3dwo s ALA 428 CO 0.03 0.58 -0.22 0.99 0.00 0.00 0.00 175.76 177.14 3dwo s THR 429 N -0.86 2.02 0.13 0.00 2.01 -0.08 -2.40 115.64 116.47 3dwo s THR 429 Ca 0.13 -0.96 0.06 0.00 0.31 0.00 0.00 61.69 61.22 3dwo s THR 429 Cb -0.11 -1.78 -0.04 0.00 0.01 0.00 0.00 72.50 70.57 3dwo s THR 429 CO 0.02 0.54 -0.14 -0.44 -0.69 0.00 0.00 174.62 173.92 3dwo s SER 430 N 0.76 1.99 -0.05 3.53 0.01 -1.26 -1.15 113.70 117.53 3dwo s SER 430 Ca -0.09 -0.84 -0.11 0.00 1.31 0.00 0.00 55.95 56.22 3dwo s SER 430 Cb -0.16 -0.06 0.02 0.00 0.21 0.00 0.00 66.02 66.03 3dwo s SER 430 CO -0.00 -0.17 0.26 -0.54 0.41 0.00 0.00 173.24 173.19 3dwo s LYS 431 N -2.83 0.48 0.00 12.44 1.02 -0.29 -4.12 119.74 126.45 3dwo s LYS 431 Ca 0.10 0.01 -0.05 0.00 0.02 0.00 0.00 55.97 56.05 3dwo s LYS 431 Cb -0.04 0.21 -0.00 0.00 -0.52 0.00 0.00 37.83 37.48 3dwo s LYS 431 CO 0.03 -0.11 0.09 0.20 -0.92 0.00 0.00 175.35 174.64 3dwo s GLY 432 N -0.70 0.08 -0.10 -3.33 0.00 -1.03 -0.06 107.32 102.18 3dwo s GLY 432 Ca -0.08 -0.20 -0.15 0.00 0.00 0.00 0.00 44.72 44.29 3dwo s GLY 432 CO 0.02 -0.30 0.39 -0.86 0.00 0.00 0.00 173.10 172.35 3dwo s GLN 433 N -1.20 0.57 -0.02 2.90 -2.07 -0.42 -0.04 119.66 119.38 3dwo s GLN 433 Ca -0.13 0.31 0.04 0.00 -1.82 0.00 0.00 55.36 53.75 3dwo s GLN 433 Cb -0.07 0.27 -0.00 0.00 -1.09 0.00 0.00 33.01 32.11 3dwo s GLN 433 CO 0.01 -0.11 -0.13 0.08 -1.32 0.00 0.00 175.29 173.81 3dwo s VAL 434 N -0.36 1.06 -0.14 3.63 1.01 0.90 -0.56 120.40 125.95 3dwo s VAL 434 Ca -0.05 -0.54 -0.01 0.00 0.00 0.00 0.00 61.98 61.38 3dwo s VAL 434 Cb -0.03 -0.91 -0.01 0.00 0.00 0.00 0.00 36.38 35.42 3dwo s VAL 434 CO 0.02 0.31 -0.11 -0.36 0.00 0.00 0.00 175.10 174.96 3dwo s PHE 435 N -0.05 2.85 0.03 5.22 0.40 -0.64 -1.09 117.98 124.69 3dwo s PHE 435 Ca 0.00 -0.67 0.06 0.00 -0.60 0.00 0.00 56.93 55.72 3dwo s PHE 435 Cb -0.08 -1.88 -0.02 0.00 0.51 0.00 0.00 43.02 41.55 3dwo s PHE 435 CO 0.00 -0.25 -0.17 0.45 0.70 0.00 0.00 175.22 175.96 3dwo s SER 436 N 0.49 2.04 -0.14 1.36 0.15 -0.22 -0.98 113.70 116.40 3dwo s SER 436 Ca -0.08 -0.46 -0.09 0.00 0.70 0.00 0.00 55.95 56.03 3dwo s SER 436 Cb -0.16 -0.16 0.05 0.00 -1.71 0.00 0.00 66.02 64.04 3dwo s SER 436 CO 0.04 0.11 0.34 -0.22 1.20 0.00 0.00 173.24 174.71 3dwo s LEU 437 N -1.03 0.29 0.05 3.45 2.96 -0.98 -1.43 118.68 122.00 3dwo s LEU 437 Ca 0.05 0.71 -0.02 0.00 -0.22 0.00 0.00 54.13 54.65 3dwo s LEU 437 Cb -0.08 1.09 -0.03 0.00 0.50 0.00 0.00 46.19 47.67 3dwo s LEU 437 CO 0.01 -0.16 -0.00 -0.94 -1.32 0.00 0.00 176.35 173.94 3dwo s SER 438 N 1.03 0.41 -0.11 3.68 1.04 -0.68 -1.23 113.70 117.85 3dwo s SER 438 Ca -0.07 -0.89 0.01 0.00 0.48 0.00 0.00 55.95 55.48 3dwo s SER 438 Cb -0.07 0.21 0.02 0.00 0.10 0.00 0.00 66.02 66.27 3dwo s SER 438 CO -0.08 -0.58 -0.11 0.00 0.98 0.00 0.00 173.24 173.45 3dwo s ALA 439 N -3.58 1.49 -0.16 5.32 0.00 -0.52 -1.76 121.76 122.55 3dwo s ALA 439 Ca 0.04 -0.63 -0.01 0.00 0.00 0.00 0.00 51.96 51.37 3dwo s ALA 439 Cb 0.05 -0.86 -0.01 0.00 0.00 0.00 0.00 23.12 22.31 3dwo s ALA 439 CO -0.09 -0.24 -0.13 0.99 0.00 0.00 0.00 175.76 176.29 3dwo s THR 440 N 1.32 2.91 -0.30 0.00 2.01 -0.04 -1.85 115.64 119.70 3dwo s THR 440 Ca -0.01 -0.69 -0.04 0.00 0.31 0.00 0.00 61.69 61.26 3dwo s THR 440 Cb -0.14 -2.24 0.04 0.00 0.01 0.00 0.00 72.50 70.17 3dwo s THR 440 CO -0.05 0.50 0.03 -0.47 -0.69 0.00 0.00 174.62 173.95 3dwo s TYR 441 N 0.76 3.21 -1.24 4.92 5.04 0.76 -0.96 117.35 129.84 3dwo s TYR 441 Ca -0.05 -1.56 -0.05 0.00 -2.44 0.00 0.00 57.07 52.97 3dwo s TYR 441 Cb -0.15 -2.17 0.14 0.00 0.35 0.00 0.00 41.96 40.12 3dwo s TYR 441 CO 0.01 -0.74 2.35 -3.47 -1.34 0.00 0.00 175.55 172.37 3dwo n ASP 442 N 4.72 7.89 -4.56 4.32 2.03 -0.97 -1.89 116.55 128.10 3dwo n ASP 442 Ca -0.14 -3.21 -0.34 0.00 0.52 0.00 0.00 54.79 51.63 3dwo n ASP 442 Cb 0.45 -1.33 -0.04 0.00 -0.72 0.00 0.00 41.12 39.48 3dwo n ASP 442 CO 0.00 0.00 0.00 0.72 -1.92 0.00 0.00 177.20 176.00 3dwo s PHE 443 N -1.53 1.83 0.00 -0.67 -0.00 -1.23 -4.83 117.98 111.54 3dwo s PHE 443 Ca 0.53 0.55 0.00 0.00 -0.00 0.00 0.00 56.93 58.01 3dwo s PHE 443 Cb 0.20 -4.15 0.00 0.00 -0.00 0.00 0.00 43.02 39.07 3dwo s PHE 443 CO -0.11 -2.02 0.00 1.58 -0.00 0.00 0.00 175.22 174.67