#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xck n ALA 3 N 0.00 1.36 -2.24 0.00 0.00 -1.26 -4.95 120.51 113.41 1xck n ALA 3 Ca 0.00 0.42 -0.18 0.00 0.00 0.00 0.00 53.44 53.68 1xck n ALA 3 Cb 0.00 -2.38 0.00 0.00 0.00 0.00 0.00 19.45 17.07 1xck n ALA 3 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1xck s LYS 4 N 1.39 2.98 -0.23 0.00 -0.14 -1.26 -3.14 119.74 119.33 1xck s LYS 4 Ca 0.81 -1.12 0.02 0.00 -1.36 0.00 0.00 55.97 54.31 1xck s LYS 4 Cb -0.67 -2.79 0.04 0.00 -1.68 0.00 0.00 37.83 32.73 1xck s LYS 4 CO 0.40 -0.10 -0.13 0.34 -0.76 0.00 0.00 175.35 175.09 1xck s ASP 5 N -4.26 4.01 -0.19 2.83 -1.08 0.23 -4.77 116.67 113.43 1xck s ASP 5 Ca 0.50 -1.11 -0.05 0.00 -0.52 0.00 0.00 52.55 51.37 1xck s ASP 5 Cb -0.10 -1.54 -0.03 0.00 -1.46 0.00 0.00 42.92 39.80 1xck s ASP 5 CO 0.32 -0.12 -0.00 -0.69 0.52 0.00 0.00 175.17 175.20 1xck s VAL 6 N 1.18 4.00 0.07 1.11 1.01 -1.26 -2.24 120.40 124.28 1xck s VAL 6 Ca -0.04 -0.30 0.08 0.00 0.00 0.00 0.00 61.98 61.72 1xck s VAL 6 Cb -0.17 -2.80 -0.04 0.00 0.00 0.00 0.00 36.38 33.37 1xck s VAL 6 CO -0.08 0.44 -0.19 -0.54 0.00 0.00 0.00 175.10 174.73 1xck s LYS 7 N 0.89 1.92 0.37 2.72 1.02 -0.40 -4.98 119.74 121.28 1xck s LYS 7 Ca 0.01 -1.08 0.08 0.00 0.02 0.00 0.00 55.97 55.01 1xck s LYS 7 Cb -0.14 -2.14 -0.07 0.00 -0.52 0.00 0.00 37.83 34.96 1xck s LYS 7 CO 0.02 0.51 -0.04 -0.06 -0.92 0.00 0.00 175.35 174.86 1xck s PHE 8 N -1.01 2.47 0.00 3.18 0.08 -1.26 -1.34 117.98 120.10 1xck s PHE 8 Ca 0.16 -0.56 0.00 0.00 0.12 0.00 0.00 56.93 56.64 1xck s PHE 8 Cb -0.10 -1.56 0.00 0.00 -0.57 0.00 0.00 43.02 40.78 1xck s PHE 8 CO 0.07 0.51 0.00 0.41 -0.10 0.00 0.00 175.22 176.11 1xck n GLY 9 N -0.89 0.74 0.35 4.36 0.00 0.90 -1.59 105.19 109.07 1xck n GLY 9 Ca -0.05 0.07 0.02 0.00 0.00 0.00 0.00 46.02 46.07 1xck n GLY 9 CO 0.00 0.00 0.00 -0.57 0.00 0.00 0.00 173.32 172.75 1xck h ASN 10 N 0.00 0.92 -0.72 1.61 -0.73 -1.93 -1.21 115.58 113.52 1xck h ASN 10 Ca 0.00 0.02 0.06 0.00 1.87 0.00 0.00 56.30 58.25 1xck h ASN 10 Cb 0.00 -0.17 -0.06 0.00 0.27 0.00 0.00 38.32 38.36 1xck h ASN 10 CO 0.00 0.57 0.42 -0.78 -0.37 0.00 0.00 177.43 177.28 1xck h ASP 11 N 1.05 0.65 -0.31 1.15 -0.00 -1.80 -1.48 116.42 115.68 1xck h ASP 11 Ca 0.42 0.02 -0.07 0.00 -0.00 0.00 0.00 57.03 57.40 1xck h ASP 11 Cb 0.22 -0.11 -0.01 0.00 -0.00 0.00 0.00 39.33 39.43 1xck h ASP 11 CO -0.19 0.42 -0.07 0.00 -0.00 0.00 0.00 179.24 179.40 1xck h ALA 12 N 1.36 0.42 -0.40 -0.78 0.00 -0.46 -3.12 119.26 116.28 1xck h ALA 12 Ca 0.32 -0.29 -0.07 0.00 0.00 0.00 0.00 54.91 54.87 1xck h ALA 12 Cb 0.17 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 1xck h ALA 12 CO -0.17 0.25 -0.05 0.00 0.00 0.00 0.00 179.25 179.28 1xck h ARG 13 N 0.36 0.66 -0.29 0.00 3.08 -0.69 -2.25 114.38 115.25 1xck h ARG 13 Ca 0.08 -0.18 -0.12 0.00 0.07 0.00 0.00 59.98 59.83 1xck h ARG 13 Cb 0.56 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 30.52 1xck h ARG 13 CO 0.03 0.71 -0.31 -0.39 -1.07 0.00 0.00 179.97 178.94 1xck h VAL 14 N 0.61 1.28 -0.10 2.04 -1.51 -1.33 -0.82 116.25 116.43 1xck h VAL 14 Ca 0.12 -1.42 0.01 0.00 -1.23 0.00 0.00 66.70 64.18 1xck h VAL 14 Cb 0.46 1.40 -0.01 0.00 -2.13 0.00 0.00 31.29 31.00 1xck h VAL 14 CO 0.02 0.46 0.03 0.11 -1.23 0.00 0.00 177.57 176.96 1xck h LYS 15 N 0.52 0.08 -0.40 5.19 1.79 -1.42 0.16 116.57 122.50 1xck h LYS 15 Ca 0.06 -0.00 0.01 0.00 -2.18 0.00 0.00 60.65 58.53 1xck h LYS 15 Cb 0.79 -0.02 -0.02 0.00 -1.58 0.00 0.00 32.23 31.40 1xck h LYS 15 CO 0.06 0.05 0.26 0.52 -1.08 0.00 0.00 179.45 179.27 1xck h MET 16 N 0.08 0.51 0.21 3.15 2.86 -1.15 -0.83 114.93 119.76 1xck h MET 16 Ca 0.04 -0.03 -0.00 0.00 -2.06 0.00 0.00 59.70 57.65 1xck h MET 16 Cb 0.02 -0.11 -0.01 0.00 0.06 0.00 0.00 31.60 31.56 1xck h MET 16 CO -0.04 0.34 -0.16 1.25 1.06 0.00 0.00 176.91 179.35 1xck h LEU 17 N 0.52 -0.42 -1.14 1.22 5.85 -0.82 0.25 115.31 120.77 1xck h LEU 17 Ca 0.15 0.03 0.21 0.00 0.84 0.00 0.00 57.88 59.11 1xck h LEU 17 Cb -0.05 0.14 -0.10 0.00 0.37 0.00 0.00 40.66 41.02 1xck h LEU 17 CO -0.04 -0.25 0.62 -0.09 -0.34 0.00 0.00 178.44 178.33 1xck h ARG 18 N -0.38 0.62 -0.00 1.25 9.65 -0.45 0.16 114.38 125.23 1xck h ARG 18 Ca -0.01 -0.04 -0.00 0.00 -1.10 0.00 0.00 59.98 58.83 1xck h ARG 18 Cb 0.34 -0.14 -0.00 0.00 -1.39 0.00 0.00 29.97 28.78 1xck h ARG 18 CO -0.01 0.41 -0.00 0.78 2.80 0.00 0.00 179.97 183.95 1xck h GLY 19 N 0.64 0.01 2.00 2.80 0.00 -0.35 -3.00 103.07 105.17 1xck h GLY 19 Ca 0.57 -0.01 0.00 0.00 0.00 0.00 0.00 47.33 47.89 1xck h GLY 19 CO -0.34 0.01 0.00 -0.39 0.00 0.00 0.00 176.54 175.82 1xck h VAL 20 N -0.50 0.00 -0.39 4.60 -1.51 0.13 -2.36 116.25 116.23 1xck h VAL 20 Ca 0.00 -0.37 -0.12 0.00 -1.23 0.00 0.00 66.70 64.97 1xck h VAL 20 Cb 0.52 1.36 -0.01 0.00 -2.13 0.00 0.00 31.29 31.03 1xck h VAL 20 CO 0.00 0.00 -0.23 0.78 -1.23 0.00 0.00 177.57 176.89 1xck h ASN 21 N 0.00 0.88 -0.00 4.19 2.35 -0.66 0.19 115.58 122.52 1xck h ASN 21 Ca 0.00 -0.42 -0.00 0.00 -0.55 0.00 0.00 56.30 55.33 1xck h ASN 21 Cb 0.38 -0.24 -0.00 0.00 0.05 0.00 0.00 38.32 38.50 1xck h ASN 21 CO 0.00 1.11 0.00 0.58 -1.65 0.00 0.00 177.43 177.47 1xck h VAL 22 N 0.65 1.03 0.52 2.81 2.07 -1.29 0.13 116.25 122.17 1xck h VAL 22 Ca 0.08 -0.08 -0.01 0.00 0.82 0.00 0.00 66.70 67.50 1xck h VAL 22 Cb 0.80 1.08 -0.02 0.00 -1.52 0.00 0.00 31.29 31.63 1xck h VAL 22 CO 0.07 0.02 -0.42 0.25 0.02 0.00 0.00 177.57 177.51 1xck h LEU 23 N -0.03 -1.10 -0.13 2.57 5.85 -1.41 -2.17 115.31 118.89 1xck h LEU 23 Ca 0.00 0.08 0.03 0.00 0.84 0.00 0.00 57.88 58.83 1xck h LEU 23 Cb 0.03 0.35 -0.03 0.00 0.37 0.00 0.00 40.66 41.39 1xck h LEU 23 CO -0.00 -0.60 -0.05 0.00 -0.34 0.00 0.00 178.44 177.45 1xck h ALA 24 N -0.62 0.07 -0.22 1.25 0.00 -0.53 -1.95 119.26 117.25 1xck h ALA 24 Ca -0.06 0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 1xck h ALA 24 Cb 0.78 0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.69 1xck h ALA 24 CO -0.00 -0.50 0.08 -0.44 0.00 0.00 0.00 179.25 178.39 1xck h ASP 25 N -0.03 0.27 0.13 0.00 3.32 -0.72 0.16 116.42 119.55 1xck h ASP 25 Ca 0.07 -0.02 -0.19 0.00 0.02 0.00 0.00 57.03 56.90 1xck h ASP 25 Cb 0.13 -0.07 -0.00 0.00 0.22 0.00 0.00 39.33 39.61 1xck h ASP 25 CO -0.15 0.26 -0.74 0.00 -1.72 0.00 0.00 179.24 176.89 1xck h ALA 26 N 1.79 0.51 0.15 3.45 0.00 -1.09 -3.33 119.26 120.74 1xck h ALA 26 Ca 0.08 -0.60 -0.21 0.00 0.00 0.00 0.00 54.91 54.17 1xck h ALA 26 Cb 0.08 -0.05 0.02 0.00 0.00 0.00 0.00 17.79 17.84 1xck h ALA 26 CO -0.01 0.74 -0.97 0.28 0.00 0.00 0.00 179.25 179.29 1xck h VAL 27 N 0.36 1.42 0.00 0.00 2.07 -0.74 -3.37 116.25 115.99 1xck h VAL 27 Ca -0.04 -2.53 0.00 0.00 0.82 0.00 0.00 66.70 64.95 1xck h VAL 27 Cb 1.33 3.12 0.00 0.00 -1.52 0.00 0.00 31.29 34.21 1xck h VAL 27 CO 0.13 0.72 0.00 0.07 0.02 0.00 0.00 177.57 178.52 1xck h LYS 28 N -0.32 0.00 0.00 1.57 2.10 -0.83 -2.55 116.57 116.54 1xck h LYS 28 Ca -0.18 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.47 1xck h LYS 28 Cb 1.71 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 33.04 1xck h LYS 28 CO 0.15 0.00 0.00 1.33 -2.00 0.00 0.00 179.45 178.93 1xck n VAL 29 N -2.64 0.00 -0.93 0.07 0.24 -1.25 -2.35 118.33 111.47 1xck n VAL 29 Ca -0.00 0.00 0.09 0.00 -2.04 0.00 0.00 64.34 62.38 1xck n VAL 29 Cb 0.16 -0.48 0.20 0.00 -1.47 0.00 0.00 33.84 32.26 1xck n VAL 29 CO 0.00 0.00 0.00 0.35 -2.14 0.00 0.00 176.83 175.04 1xck n THR 30 N -0.86 2.02 -3.31 3.34 -2.24 -0.96 0.12 114.28 112.39 1xck n THR 30 Ca 0.13 -1.92 -0.38 0.00 -2.27 0.00 0.00 64.05 59.60 1xck n THR 30 Cb 0.06 -0.17 -0.06 0.00 -2.10 0.00 0.00 70.33 68.06 1xck n THR 30 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 1xck s LEU 31 N -2.66 4.30 0.00 3.22 2.96 -0.99 -4.68 118.68 120.83 1xck s LEU 31 Ca 0.36 0.86 0.00 0.00 -0.22 0.00 0.00 54.13 55.13 1xck s LEU 31 Cb 0.29 -2.71 0.00 0.00 0.50 0.00 0.00 46.19 44.27 1xck s LEU 31 CO 0.07 0.03 0.00 0.61 -1.32 0.00 0.00 176.35 175.74 1xck n GLY 32 N 3.08 -2.19 0.65 7.98 0.00 -1.26 -4.00 105.19 109.45 1xck n GLY 32 Ca -0.07 -1.46 0.49 0.00 0.00 0.00 0.00 46.02 44.97 1xck n GLY 32 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1xck h PRO 33 N 0.00 0.01 -0.80 1.61 0.13 -1.93 0.64 132.00 131.66 1xck h PRO 33 Ca 0.00 -0.00 -0.30 0.00 -0.87 0.00 0.00 66.00 64.83 1xck h PRO 33 Cb 0.00 -0.00 -0.18 0.00 0.13 0.00 0.00 31.00 30.95 1xck h PRO 33 CO 0.00 0.01 0.37 1.63 -0.23 0.00 0.00 178.00 179.78 1xck n LYS 34 N -4.10 3.22 -1.74 0.86 4.76 -1.26 -4.99 118.16 114.91 1xck n LYS 34 Ca 0.42 -3.07 -0.38 0.00 -2.87 0.00 0.00 58.31 52.40 1xck n LYS 34 Cb 1.85 -2.19 0.05 0.00 -1.84 0.00 0.00 35.03 32.90 1xck n LYS 34 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1xck n GLY 35 N -0.49 0.69 3.97 0.72 0.00 0.22 -4.59 105.19 105.72 1xck n GLY 35 Ca 0.46 -0.02 -0.23 0.00 0.00 0.00 0.00 46.02 46.24 1xck n GLY 35 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1xck s ARG 36 N -2.97 2.06 0.06 1.61 1.81 0.12 -4.93 118.95 116.71 1xck s ARG 36 Ca 0.74 -0.85 -0.08 0.00 -1.72 0.00 0.00 55.73 53.81 1xck s ARG 36 Cb -0.41 -2.36 -0.05 0.00 -0.45 0.00 0.00 34.95 31.68 1xck s ARG 36 CO 0.47 -1.16 0.35 -0.80 -0.68 0.00 0.00 175.30 173.49 1xck s ASN 37 N -4.59 6.57 -0.06 0.23 0.02 -1.26 -4.43 114.94 111.42 1xck s ASN 37 Ca 0.62 0.69 0.06 0.00 -1.02 0.00 0.00 52.86 53.21 1xck s ASN 37 Cb -0.08 -2.14 -0.01 0.00 0.02 0.00 0.00 41.25 39.04 1xck s ASN 37 CO 0.42 0.19 -0.24 -0.69 0.02 0.00 0.00 177.10 176.80 1xck s VAL 38 N -1.38 2.01 -0.28 1.60 1.01 0.26 -4.94 120.40 118.67 1xck s VAL 38 Ca 0.32 -1.04 -0.10 0.00 0.00 0.00 0.00 61.98 61.16 1xck s VAL 38 Cb -0.14 -1.70 -0.03 0.00 0.00 0.00 0.00 36.38 34.51 1xck s VAL 38 CO 0.18 0.56 0.16 -0.69 0.00 0.00 0.00 175.10 175.30 1xck s VAL 39 N -0.12 4.92 -0.30 2.92 1.01 -1.26 -1.06 120.40 126.51 1xck s VAL 39 Ca -0.04 -0.05 -0.09 0.00 0.00 0.00 0.00 61.98 61.80 1xck s VAL 39 Cb -0.14 -3.37 -0.01 0.00 0.00 0.00 0.00 36.38 32.86 1xck s VAL 39 CO 0.04 0.22 0.12 -0.76 0.00 0.00 0.00 175.10 174.73 1xck s LEU 40 N 1.69 3.94 0.46 3.92 1.43 0.19 -4.91 118.68 125.40 1xck s LEU 40 Ca 0.06 -0.49 -0.22 0.00 -1.03 0.00 0.00 54.13 52.45 1xck s LEU 40 Cb -0.16 -1.97 -0.08 0.00 0.03 0.00 0.00 46.19 44.01 1xck s LEU 40 CO 0.08 -0.16 1.09 -0.62 0.23 0.00 0.00 176.35 176.96 1xck s ASP 41 N 1.60 6.33 -0.06 2.29 2.15 -1.26 0.23 116.67 127.95 1xck s ASP 41 Ca 0.05 2.09 0.02 0.00 0.43 0.00 0.00 52.55 55.13 1xck s ASP 41 Cb -0.17 -2.58 0.01 0.00 -0.30 0.00 0.00 42.92 39.89 1xck s ASP 41 CO 0.05 -0.79 -0.11 -0.54 -0.17 0.00 0.00 175.17 173.61 1xck s LYS 42 N -2.89 1.60 0.31 4.34 1.02 -1.26 -4.87 119.74 117.99 1xck s LYS 42 Ca 0.64 -0.38 0.07 0.00 0.02 0.00 0.00 55.97 56.33 1xck s LYS 42 Cb -0.22 -1.34 0.87 0.00 -0.52 0.00 0.00 37.83 36.62 1xck s LYS 42 CO 0.27 0.01 1.63 0.66 -0.92 0.00 0.00 175.35 177.01 1xck h SER 43 N 7.00 0.10 -3.56 2.83 4.64 -1.97 -3.37 113.55 119.23 1xck h SER 43 Ca -0.32 0.21 -0.66 0.00 -0.47 0.00 0.00 61.79 60.55 1xck h SER 43 Cb 1.18 0.26 -0.26 0.00 -0.31 0.00 0.00 62.40 63.28 1xck h SER 43 CO 0.47 -0.20 -0.65 -0.36 -0.87 0.00 0.00 176.83 175.22 1xck s PHE 44 N -5.84 3.08 0.00 4.77 0.08 -1.26 -5.03 117.98 113.78 1xck s PHE 44 Ca -0.11 -0.83 0.00 0.00 0.12 0.00 0.00 56.93 56.10 1xck s PHE 44 Cb 0.28 -2.20 0.00 0.00 -0.57 0.00 0.00 43.02 40.53 1xck s PHE 44 CO 0.78 -0.51 0.00 0.41 -0.10 0.00 0.00 175.22 175.79 1xck n GLY 45 N 4.86 -1.49 3.84 4.36 0.00 -1.26 -4.96 105.19 110.53 1xck n GLY 45 Ca -0.16 -1.82 -0.32 0.00 0.00 0.00 0.00 46.02 43.71 1xck n GLY 45 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xck s ALA 46 N -1.79 3.17 0.92 4.61 0.00 -1.26 -4.80 121.76 122.61 1xck s ALA 46 Ca 0.00 0.19 -0.11 0.00 0.00 0.00 0.00 51.96 52.04 1xck s ALA 46 Cb 0.00 -2.97 0.14 0.00 0.00 0.00 0.00 23.12 20.30 1xck s ALA 46 CO 0.00 0.14 1.10 -2.14 0.00 0.00 0.00 175.76 174.87 1xck s PRO 47 N -3.29 1.06 -0.19 0.00 0.02 -1.26 -4.63 135.00 126.70 1xck s PRO 47 Ca 0.58 1.18 -0.11 0.00 0.02 0.00 0.00 61.00 62.67 1xck s PRO 47 Cb -0.10 -1.76 -0.05 0.00 0.02 0.00 0.00 34.50 32.62 1xck s PRO 47 CO 0.19 -2.49 0.17 0.99 -0.33 0.00 0.00 177.00 175.53 1xck s THR 48 N -2.75 5.39 -0.20 0.99 2.01 0.14 -4.91 115.64 116.30 1xck s THR 48 Ca 0.65 0.28 -0.06 0.00 0.31 0.00 0.00 61.69 62.87 1xck s THR 48 Cb -0.21 -3.51 -0.03 0.00 0.01 0.00 0.00 72.50 68.76 1xck s THR 48 CO 0.58 0.43 0.03 -0.63 -0.69 0.00 0.00 174.62 174.34 1xck s ILE 49 N 0.38 4.25 0.10 1.82 1.01 -1.26 0.55 121.20 128.04 1xck s ILE 49 Ca 0.10 -0.21 -0.05 0.00 0.00 0.00 0.00 60.65 60.49 1xck s ILE 49 Cb -0.11 -2.93 -0.02 0.00 0.01 0.00 0.00 42.46 39.40 1xck s ILE 49 CO -0.01 0.42 0.11 0.28 0.00 0.00 0.00 174.94 175.74 1xck s THR 50 N 0.92 0.15 0.00 2.92 -1.32 -0.22 -4.95 115.64 113.13 1xck s THR 50 Ca 0.02 -1.56 0.00 0.00 -1.21 0.00 0.00 61.69 58.94 1xck s THR 50 Cb -0.14 -1.61 0.00 0.00 -1.51 0.00 0.00 72.50 69.23 1xck s THR 50 CO 0.02 -0.67 0.90 0.29 -2.21 0.00 0.00 174.62 172.95 1xck n LYS 51 N -0.04 2.33 -2.95 7.08 5.02 -1.26 -0.58 118.16 127.77 1xck n LYS 51 Ca -0.12 -1.30 -0.43 0.00 -2.02 0.00 0.00 58.31 54.44 1xck n LYS 51 Cb 0.62 -0.94 -0.05 0.00 -0.02 0.00 0.00 35.03 34.64 1xck n LYS 51 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 1xck s ASP 52 N -0.80 6.34 0.55 4.39 2.15 -1.26 -4.84 116.67 123.21 1xck s ASP 52 Ca 0.00 -0.36 0.24 0.00 0.43 0.00 0.00 52.55 52.86 1xck s ASP 52 Cb 0.00 -2.39 1.50 0.00 -0.30 0.00 0.00 42.92 41.73 1xck s ASP 52 CO 0.00 -1.04 2.10 1.23 -0.17 0.00 0.00 175.17 177.29 1xck h GLY 53 N 10.39 0.00 1.40 2.66 0.00 -1.87 -1.26 103.07 114.38 1xck h GLY 53 Ca -0.26 0.00 -0.19 0.00 0.00 0.00 0.00 47.33 46.88 1xck h GLY 53 CO 1.01 0.00 -0.67 -2.08 0.00 0.00 0.00 176.54 174.80 1xck h VAL 54 N 0.00 1.32 -0.09 4.60 2.07 -1.96 -1.25 116.25 120.93 1xck h VAL 54 Ca 0.10 -1.95 -0.01 0.00 0.82 0.00 0.00 66.70 65.66 1xck h VAL 54 Cb 0.46 1.92 -0.00 0.00 -1.52 0.00 0.00 31.29 32.14 1xck h VAL 54 CO -0.00 0.61 0.03 0.28 0.02 0.00 0.00 177.57 178.51 1xck h SER 55 N 0.44 0.14 0.22 0.57 0.02 -1.67 -2.39 113.55 110.88 1xck h SER 55 Ca -0.02 -0.19 0.00 0.00 -0.84 0.00 0.00 61.79 60.74 1xck h SER 55 Cb 1.26 -0.04 -0.01 0.00 0.14 0.00 0.00 62.40 63.75 1xck h SER 55 CO 0.13 0.29 -0.20 0.58 -1.14 0.00 0.00 176.83 176.49 1xck h VAL 56 N -0.03 0.56 -0.99 2.27 2.07 -1.39 -2.67 116.25 116.08 1xck h VAL 56 Ca 0.03 0.00 0.17 0.00 0.82 0.00 0.00 66.70 67.72 1xck h VAL 56 Cb 0.20 0.56 -0.10 0.00 -1.52 0.00 0.00 31.29 30.44 1xck h VAL 56 CO -0.00 0.00 0.60 0.00 0.02 0.00 0.00 177.57 178.19 1xck h ALA 57 N 0.27 1.59 -0.91 1.67 0.00 -1.20 -0.34 119.26 120.34 1xck h ALA 57 Ca -0.01 0.07 0.12 0.00 0.00 0.00 0.00 54.91 55.09 1xck h ALA 57 Cb 0.41 -0.11 -0.07 0.00 0.00 0.00 0.00 17.79 18.02 1xck h ALA 57 CO -0.03 0.02 0.59 -0.09 0.00 0.00 0.00 179.25 179.73 1xck h ARG 58 N 0.81 0.81 0.00 0.00 2.43 -1.07 -1.73 114.38 115.63 1xck h ARG 58 Ca 0.55 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.67 1xck h ARG 58 Cb 0.77 -0.18 0.00 0.00 -0.42 0.00 0.00 29.97 30.14 1xck h ARG 58 CO -0.35 0.54 0.00 0.93 -1.51 0.00 0.00 179.97 179.57 1xck h GLU 59 N 0.83 0.00 -6.15 0.20 4.39 -0.97 -3.46 114.58 109.43 1xck h GLU 59 Ca 0.44 0.00 -0.57 0.00 0.34 0.00 0.00 59.36 59.58 1xck h GLU 59 Cb 0.54 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 29.15 1xck h GLU 59 CO -0.21 0.00 0.91 0.42 -1.16 0.00 0.00 179.01 178.97 1xck s ILE 60 N -3.14 4.27 -0.19 3.13 -1.09 -0.65 -4.99 121.20 118.55 1xck s ILE 60 Ca 0.10 1.54 -0.08 0.00 -2.23 0.00 0.00 60.65 59.98 1xck s ILE 60 Cb 0.11 -3.99 0.08 0.00 -1.58 0.00 0.00 42.46 37.07 1xck s ILE 60 CO 0.60 -0.14 0.42 -0.70 -1.23 0.00 0.00 174.94 173.89 1xck s GLU 61 N 3.50 0.35 0.11 2.79 2.12 -1.26 -4.91 118.70 121.41 1xck s GLU 61 Ca 0.55 0.96 -0.01 0.00 0.36 0.00 0.00 54.97 56.82 1xck s GLU 61 Cb -0.22 0.21 -0.04 0.00 0.26 0.00 0.00 34.13 34.33 1xck s GLU 61 CO 0.15 -0.22 0.29 -0.51 -0.54 0.00 0.00 175.26 174.43 1xck s LEU 62 N 2.18 4.31 0.11 2.70 1.43 -1.26 -5.03 118.68 123.12 1xck s LEU 62 Ca -0.05 0.36 -0.15 0.00 -1.03 0.00 0.00 54.13 53.27 1xck s LEU 62 Cb -0.11 -3.08 -0.06 0.00 0.03 0.00 0.00 46.19 42.98 1xck s LEU 62 CO -0.13 0.09 1.48 -0.08 0.23 0.00 0.00 176.35 177.94 1xck h GLU 63 N 2.73 0.72 -6.25 1.70 4.81 -2.00 -3.42 114.58 112.86 1xck h GLU 63 Ca -0.46 -0.32 -0.56 0.00 -0.13 0.00 0.00 59.36 57.89 1xck h GLU 63 Cb 1.17 -0.02 -0.02 0.00 0.63 0.00 0.00 28.75 30.51 1xck h GLU 63 CO 0.73 0.92 1.09 0.34 -0.73 0.00 0.00 179.01 181.36 1xck s ASP 64 N -6.43 6.56 0.29 1.04 -1.08 -1.26 -4.90 116.67 110.89 1xck s ASP 64 Ca -0.13 1.90 0.03 0.00 -0.52 0.00 0.00 52.55 53.84 1xck s ASP 64 Cb 0.09 -2.53 0.67 0.00 -1.46 0.00 0.00 42.92 39.69 1xck s ASP 64 CO 0.82 -1.06 1.77 0.11 0.52 0.00 0.00 175.17 177.32 1xck h LYS 65 N 9.98 0.68 -0.10 4.34 1.79 -1.94 0.35 116.57 131.68 1xck h LYS 65 Ca -0.35 -0.04 -0.05 0.00 -2.18 0.00 0.00 60.65 58.02 1xck h LYS 65 Cb 1.16 -0.15 -0.00 0.00 -1.58 0.00 0.00 32.23 31.65 1xck h LYS 65 CO 0.98 0.45 -0.15 0.74 -1.08 0.00 0.00 179.45 180.39 1xck h PHE 66 N 0.71 0.34 -0.96 -1.35 0.04 -1.94 -2.13 116.94 111.65 1xck h PHE 66 Ca 0.54 -0.11 0.03 0.00 2.80 0.00 0.00 57.97 61.22 1xck h PHE 66 Cb 0.82 -0.07 -0.05 0.00 2.20 0.00 0.00 35.95 38.85 1xck h PHE 66 CO -0.04 0.74 0.63 0.93 -0.60 0.00 0.00 178.31 179.97 1xck h GLU 67 N -0.17 1.21 -0.62 1.51 5.08 -1.58 -2.42 114.58 117.58 1xck h GLU 67 Ca 0.01 -0.07 -0.01 0.00 -1.00 0.00 0.00 59.36 58.28 1xck h GLU 67 Cb 0.71 -0.27 -0.03 0.00 0.50 0.00 0.00 28.75 29.66 1xck h GLU 67 CO 0.03 0.80 0.35 -0.97 -1.00 0.00 0.00 179.01 178.22 1xck h ASN 68 N 1.24 0.78 -1.00 1.42 -1.24 -0.87 -1.85 115.58 114.05 1xck h ASN 68 Ca 0.37 -0.09 0.05 0.00 0.71 0.00 0.00 56.30 57.34 1xck h ASN 68 Cb -0.05 -0.20 -0.06 0.00 0.73 0.00 0.00 38.32 38.74 1xck h ASN 68 CO -0.11 0.64 0.65 0.24 -1.29 0.00 0.00 177.43 177.57 1xck h MET 69 N 0.85 1.18 0.27 6.67 2.86 -0.92 0.32 114.93 126.16 1xck h MET 69 Ca 0.22 -0.07 -0.01 0.00 -2.06 0.00 0.00 59.70 57.78 1xck h MET 69 Cb 0.04 -0.27 0.00 0.00 0.06 0.00 0.00 31.60 31.43 1xck h MET 69 CO -0.04 0.78 -0.13 0.78 1.06 0.00 0.00 176.91 179.36 1xck h GLY 70 N 1.22 -0.38 0.87 8.32 0.00 -0.98 -0.24 103.07 111.89 1xck h GLY 70 Ca 0.42 0.14 0.02 0.00 0.00 0.00 0.00 47.33 47.90 1xck h GLY 70 CO -0.15 -0.14 0.08 0.00 0.00 0.00 0.00 176.54 176.33 1xck h ALA 71 N 0.35 0.22 -0.59 3.60 0.00 -0.65 -2.59 119.26 119.59 1xck h ALA 71 Ca -0.04 0.01 0.02 0.00 0.00 0.00 0.00 54.91 54.91 1xck h ALA 71 Cb 0.29 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.04 1xck h ALA 71 CO 0.06 -0.35 0.39 1.96 0.00 0.00 0.00 179.25 181.31 1xck h GLN 72 N 0.17 0.71 0.37 0.00 1.08 -0.25 -0.04 115.11 117.15 1xck h GLN 72 Ca 0.08 -0.04 -0.02 0.00 -1.45 0.00 0.00 58.65 57.22 1xck h GLN 72 Cb 0.04 -0.16 0.00 0.00 -0.05 0.00 0.00 27.48 27.31 1xck h GLN 72 CO -0.07 0.47 -0.18 0.52 -0.95 0.00 0.00 178.83 178.62 1xck h MET 73 N 0.73 -0.48 -0.06 1.46 2.86 -0.64 -0.52 114.93 118.29 1xck h MET 73 Ca 0.23 0.03 -0.14 0.00 -2.06 0.00 0.00 59.70 57.76 1xck h MET 73 Cb 0.03 0.11 -0.01 0.00 0.06 0.00 0.00 31.60 31.78 1xck h MET 73 CO -0.06 -0.24 -0.61 -0.39 1.06 0.00 0.00 176.91 176.68 1xck h VAL 74 N -0.62 1.40 -0.89 -2.22 -1.51 -1.37 -2.64 116.25 108.39 1xck h VAL 74 Ca -0.05 -2.00 0.11 0.00 -1.23 0.00 0.00 66.70 63.53 1xck h VAL 74 Cb 0.45 2.03 -0.08 0.00 -2.13 0.00 0.00 31.29 31.56 1xck h VAL 74 CO 0.08 0.59 0.52 0.50 -1.23 0.00 0.00 177.57 178.03 1xck h LYS 75 N 0.14 0.82 0.45 5.19 3.64 -0.89 0.10 116.57 126.03 1xck h LYS 75 Ca -0.01 -0.05 -0.02 0.00 -1.27 0.00 0.00 60.65 59.30 1xck h LYS 75 Cb 1.10 -0.18 0.00 0.00 -0.41 0.00 0.00 32.23 32.74 1xck h LYS 75 CO 0.09 0.54 -0.22 1.49 -2.27 0.00 0.00 179.45 179.08 1xck h GLU 76 N 0.84 -0.59 0.00 1.90 4.81 -0.72 -2.80 114.58 118.02 1xck h GLU 76 Ca 0.44 0.04 -0.07 0.00 -0.13 0.00 0.00 59.36 59.63 1xck h GLU 76 Cb 0.44 0.13 -0.01 0.00 0.63 0.00 0.00 28.75 29.94 1xck h GLU 76 CO -0.27 -0.28 -0.35 -0.39 -0.73 0.00 0.00 179.01 176.99 1xck h VAL 77 N -0.99 1.04 -0.67 0.32 -1.51 -1.41 -2.63 116.25 110.40 1xck h VAL 77 Ca -0.06 -1.31 -0.06 0.00 -1.23 0.00 0.00 66.70 64.03 1xck h VAL 77 Cb 0.57 1.75 -0.03 0.00 -2.13 0.00 0.00 31.29 31.46 1xck h VAL 77 CO 0.10 0.35 0.17 0.00 -1.23 0.00 0.00 177.57 176.96 1xck h ALA 78 N 1.65 1.03 -0.46 5.19 0.00 -0.84 -2.42 119.26 123.40 1xck h ALA 78 Ca -0.00 -0.24 -0.03 0.00 0.00 0.00 0.00 54.91 54.64 1xck h ALA 78 Cb 0.72 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.23 1xck h ALA 78 CO 0.05 0.64 0.14 0.66 0.00 0.00 0.00 179.25 180.74 1xck h SER 79 N 1.01 0.61 -0.58 0.00 4.64 -1.19 -1.35 113.55 116.69 1xck h SER 79 Ca 0.21 -0.08 0.17 0.00 -0.47 0.00 0.00 61.79 61.62 1xck h SER 79 Cb 0.35 -0.16 -0.02 0.00 -0.31 0.00 0.00 62.40 62.25 1xck h SER 79 CO -0.00 0.59 0.43 0.11 -0.87 0.00 0.00 176.83 177.09 1xck h LYS 80 N 0.66 0.00 -0.29 4.77 1.57 -1.34 0.13 116.57 122.08 1xck h LYS 80 Ca 0.15 0.00 -0.05 0.00 -1.87 0.00 0.00 60.65 58.89 1xck h LYS 80 Cb 0.20 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.50 1xck h LYS 80 CO -0.01 0.00 -0.01 0.00 -0.57 0.00 0.00 179.45 178.86 1xck h ALA 81 N 1.69 0.39 -0.67 3.86 0.00 -1.25 -1.35 119.26 121.93 1xck h ALA 81 Ca 0.28 -0.24 -0.06 0.00 0.00 0.00 0.00 54.91 54.89 1xck h ALA 81 Cb 1.13 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.79 1xck h ALA 81 CO -0.00 0.14 0.20 -0.97 0.00 0.00 0.00 179.25 178.62 1xck h ASN 82 N 0.30 0.98 -0.80 0.00 -1.24 -0.84 -1.09 115.58 112.88 1xck h ASN 82 Ca 0.08 -0.18 -0.04 0.00 0.71 0.00 0.00 56.30 56.87 1xck h ASN 82 Cb 0.45 -0.26 -0.04 0.00 0.73 0.00 0.00 38.32 39.21 1xck h ASN 82 CO 0.02 0.92 0.35 0.44 -1.29 0.00 0.00 177.43 177.87 1xck h ASP 83 N 1.00 1.08 0.38 1.15 3.32 -0.98 0.48 116.42 122.85 1xck h ASP 83 Ca 0.22 -0.15 -0.25 0.00 0.02 0.00 0.00 57.03 56.87 1xck h ASP 83 Cb 0.31 -0.28 0.01 0.00 0.22 0.00 0.00 39.33 39.58 1xck h ASP 83 CO -0.01 0.94 -1.07 0.00 -1.72 0.00 0.00 179.24 177.38 1xck h ALA 84 N 1.22 0.23 0.00 3.45 0.00 -0.80 -3.39 119.26 119.97 1xck h ALA 84 Ca 0.27 -0.77 0.00 0.00 0.00 0.00 0.00 54.91 54.42 1xck h ALA 84 Cb 0.17 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.97 1xck h ALA 84 CO -0.03 0.83 0.00 0.00 0.00 0.00 0.00 179.25 180.06 1xck n ALA 85 N -2.56 1.75 -1.01 0.00 0.00 -0.45 -5.00 120.51 113.24 1xck n ALA 85 Ca -0.08 -0.55 -0.00 0.00 0.00 0.00 0.00 53.44 52.81 1xck n ALA 85 Cb 0.91 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 20.36 1xck n ALA 85 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1xck n GLY 86 N -0.14 0.36 3.62 0.00 0.00 0.17 -4.61 105.19 104.59 1xck n GLY 86 Ca 0.00 -0.02 -0.02 0.00 0.00 0.00 0.00 46.02 45.98 1xck n GLY 86 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1xck s ASP 87 N -2.03 -0.11 0.00 1.61 2.15 -1.24 -4.96 116.67 112.09 1xck s ASP 87 Ca 0.00 -0.11 0.00 0.00 0.43 0.00 0.00 52.55 52.87 1xck s ASP 87 Cb 0.00 0.20 0.00 0.00 -0.30 0.00 0.00 42.92 42.82 1xck s ASP 87 CO 0.00 -0.35 0.00 0.61 -0.17 0.00 0.00 175.17 175.26 1xck n GLY 88 N -0.33 0.88 0.22 2.66 0.00 -1.26 -4.02 105.19 103.34 1xck n GLY 88 Ca -0.05 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.85 1xck n GLY 88 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1xck h THR 89 N 0.00 1.28 -0.37 2.61 2.02 -1.89 -0.19 112.91 116.37 1xck h THR 89 Ca 0.00 -1.19 -0.08 0.00 0.77 0.00 0.00 66.41 65.91 1xck h THR 89 Cb 0.00 1.29 -0.01 0.00 -1.74 0.00 0.00 68.15 67.69 1xck h THR 89 CO 0.00 0.39 -0.09 0.74 0.37 0.00 0.00 175.52 176.94 1xck h THR 90 N 0.51 1.28 -0.19 3.16 2.02 -1.90 -1.86 112.91 115.92 1xck h THR 90 Ca 0.09 -1.16 0.03 0.00 0.77 0.00 0.00 66.41 66.14 1xck h THR 90 Cb 0.63 1.27 -0.02 0.00 -1.74 0.00 0.00 68.15 68.28 1xck h THR 90 CO 0.04 0.38 0.03 0.74 0.37 0.00 0.00 175.52 177.08 1xck h THR 91 N 0.51 0.91 -0.90 3.16 2.02 -1.96 -0.73 112.91 115.93 1xck h THR 91 Ca 0.09 -0.04 0.09 0.00 0.77 0.00 0.00 66.41 67.33 1xck h THR 91 Cb 0.60 0.79 -0.06 0.00 -1.74 0.00 0.00 68.15 67.74 1xck h THR 91 CO 0.04 0.02 0.58 0.00 0.37 0.00 0.00 175.52 176.52 1xck h ALA 92 N 1.14 1.61 0.09 6.16 0.00 -0.92 0.25 119.26 127.60 1xck h ALA 92 Ca 0.09 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.98 1xck h ALA 92 Cb 0.08 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.66 1xck h ALA 92 CO -0.12 0.21 -0.04 1.15 0.00 0.00 0.00 179.25 180.45 1xck h THR 93 N 0.91 1.09 -0.32 0.00 2.02 -0.40 0.17 112.91 116.38 1xck h THR 93 Ca 0.41 -0.68 -0.05 0.00 0.77 0.00 0.00 66.41 66.85 1xck h THR 93 Cb 0.37 1.52 -0.02 0.00 -1.74 0.00 0.00 68.15 68.29 1xck h THR 93 CO -0.17 0.17 -0.03 -0.37 0.37 0.00 0.00 175.52 175.48 1xck h VAL 94 N -0.44 1.20 -0.43 3.16 -1.51 -0.79 -0.76 116.25 116.68 1xck h VAL 94 Ca -0.01 -0.83 -0.02 0.00 -1.23 0.00 0.00 66.70 64.61 1xck h VAL 94 Cb 0.37 0.99 -0.02 0.00 -2.13 0.00 0.00 31.29 30.50 1xck h VAL 94 CO 0.02 0.28 0.18 -0.07 -1.23 0.00 0.00 177.57 176.75 1xck h LEU 95 N 0.48 0.58 -0.63 4.19 3.38 -0.82 -1.65 115.31 120.84 1xck h LEU 95 Ca 0.10 -0.15 -0.01 0.00 0.09 0.00 0.00 57.88 57.90 1xck h LEU 95 Cb 0.36 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 40.93 1xck h LEU 95 CO 0.01 0.57 0.34 0.00 0.09 0.00 0.00 178.44 179.46 1xck h ALA 96 N 1.03 0.81 -0.31 1.53 0.00 -0.31 -1.32 119.26 120.69 1xck h ALA 96 Ca 0.14 -0.11 0.02 0.00 0.00 0.00 0.00 54.91 54.97 1xck h ALA 96 Cb 0.17 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.67 1xck h ALA 96 CO -0.01 0.34 0.14 0.37 0.00 0.00 0.00 179.25 180.09 1xck h GLN 97 N 0.87 0.30 0.23 0.00 4.15 -0.89 0.18 115.11 119.94 1xck h GLN 97 Ca 0.22 -0.02 -0.00 0.00 0.77 0.00 0.00 58.65 59.62 1xck h GLN 97 Cb 0.05 -0.07 -0.01 0.00 0.21 0.00 0.00 27.48 27.67 1xck h GLN 97 CO -0.03 0.20 -0.17 0.00 -1.93 0.00 0.00 178.83 176.89 1xck h ALA 98 N 1.17 -0.39 -0.16 3.38 0.00 -1.00 0.38 119.26 122.64 1xck h ALA 98 Ca 0.13 -0.07 -0.00 0.00 0.00 0.00 0.00 54.91 54.97 1xck h ALA 98 Cb 0.06 0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 1xck h ALA 98 CO -0.10 -0.74 0.08 0.82 0.00 0.00 0.00 179.25 179.32 1xck h ILE 99 N -0.41 1.11 -0.59 0.00 2.04 -1.06 -2.73 117.51 115.86 1xck h ILE 99 Ca -0.01 -0.29 0.04 0.00 1.00 0.00 0.00 64.86 65.59 1xck h ILE 99 Cb 0.36 1.01 -0.04 0.00 -0.74 0.00 0.00 36.82 37.41 1xck h ILE 99 CO -0.00 0.10 0.34 0.40 0.00 0.00 0.00 178.15 178.99 1xck h ILE 100 N 0.15 1.01 0.64 -0.67 2.04 -0.48 0.20 117.51 120.41 1xck h ILE 100 Ca 0.06 -0.23 -0.03 0.00 1.00 0.00 0.00 64.86 65.66 1xck h ILE 100 Cb 0.08 0.30 0.00 0.00 -0.74 0.00 0.00 36.82 36.47 1xck h ILE 100 CO -0.01 0.12 -0.33 0.74 0.00 0.00 0.00 178.15 178.67 1xck h THR 101 N 0.66 0.33 -0.48 -0.27 2.02 -0.81 -0.44 112.91 113.91 1xck h THR 101 Ca 0.25 0.00 -0.07 0.00 0.77 0.00 0.00 66.41 67.36 1xck h THR 101 Cb 0.09 0.33 -0.02 0.00 -1.74 0.00 0.00 68.15 66.81 1xck h THR 101 CO -0.14 0.00 0.01 -0.33 0.37 0.00 0.00 175.52 175.43 1xck h GLU 102 N -0.89 0.80 -0.34 6.66 4.39 -1.43 -2.05 114.58 121.71 1xck h GLU 102 Ca -0.09 -0.21 -0.00 0.00 0.34 0.00 0.00 59.36 59.40 1xck h GLU 102 Cb 0.69 -0.09 -0.02 0.00 -0.10 0.00 0.00 28.75 29.23 1xck h GLU 102 CO 0.13 0.80 0.21 0.78 -1.16 0.00 0.00 179.01 179.77 1xck h GLY 103 N 0.97 0.50 1.70 -3.84 0.00 -0.84 -1.40 103.07 100.16 1xck h GLY 103 Ca 0.15 -0.20 -0.06 0.00 0.00 0.00 0.00 47.33 47.21 1xck h GLY 103 CO 0.02 0.20 -0.14 1.41 0.00 0.00 0.00 176.54 178.02 1xck h LEU 104 N 0.45 0.35 -0.04 3.11 3.38 -0.90 -0.37 115.31 121.30 1xck h LEU 104 Ca 0.12 -0.09 0.00 0.00 0.09 0.00 0.00 57.88 58.01 1xck h LEU 104 Cb 0.00 -0.09 -0.00 0.00 0.09 0.00 0.00 40.66 40.66 1xck h LEU 104 CO -0.02 0.52 0.02 0.11 0.09 0.00 0.00 178.44 179.17 1xck h LYS 105 N 0.34 0.05 -0.47 1.13 1.57 -0.81 -0.36 116.57 118.03 1xck h LYS 105 Ca 0.06 -0.00 0.05 0.00 -1.87 0.00 0.00 60.65 58.89 1xck h LYS 105 Cb 0.46 -0.01 -0.04 0.00 0.08 0.00 0.00 32.23 32.71 1xck h LYS 105 CO 0.03 0.04 0.21 0.00 -0.57 0.00 0.00 179.45 179.16 1xck h ALA 106 N 1.01 0.58 -0.88 3.86 0.00 -0.62 -0.01 119.26 123.21 1xck h ALA 106 Ca 0.01 0.03 0.04 0.00 0.00 0.00 0.00 54.91 54.99 1xck h ALA 106 Cb 0.00 -0.03 -0.05 0.00 0.00 0.00 0.00 17.79 17.71 1xck h ALA 106 CO -0.00 -0.16 0.56 0.28 0.00 0.00 0.00 179.25 179.94 1xck h VAL 107 N 0.42 1.13 -0.16 0.00 2.07 -0.66 -1.14 116.25 117.92 1xck h VAL 107 Ca 0.21 -0.37 -0.08 0.00 0.82 0.00 0.00 66.70 67.27 1xck h VAL 107 Cb 0.15 -0.05 -0.01 0.00 -1.52 0.00 0.00 31.29 29.86 1xck h VAL 107 CO -0.17 0.20 -0.27 0.00 0.02 0.00 0.00 177.57 177.35 1xck h ALA 108 N 1.37 1.26 0.00 1.67 0.00 -0.16 -0.61 119.26 122.78 1xck h ALA 108 Ca 0.35 -0.32 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1xck h ALA 108 Cb 0.02 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.72 1xck h ALA 108 CO -0.12 0.50 0.00 0.00 0.00 0.00 0.00 179.25 179.62 1xck n ALA 109 N -2.48 2.21 -0.37 0.00 0.00 -0.10 -4.84 120.51 114.92 1xck n ALA 109 Ca -0.01 -0.12 0.00 0.00 0.00 0.00 0.00 53.44 53.31 1xck n ALA 109 Cb 0.38 -1.33 0.00 0.00 0.00 0.00 0.00 19.45 18.51 1xck n ALA 109 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1xck n GLY 110 N 0.29 0.80 3.84 0.00 0.00 -0.24 -5.07 105.19 104.82 1xck n GLY 110 Ca 0.14 -0.09 -0.32 0.00 0.00 0.00 0.00 46.02 45.75 1xck n GLY 110 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1xck s MET 111 N -0.65 3.99 -0.08 1.61 -1.94 -0.75 -4.99 119.30 116.49 1xck s MET 111 Ca 0.00 0.93 -0.30 0.00 -1.71 0.00 0.00 55.69 54.61 1xck s MET 111 Cb 0.00 -2.18 -0.04 0.00 2.01 0.00 0.00 34.83 34.62 1xck s MET 111 CO 0.00 -0.19 1.45 1.21 -0.01 0.00 0.00 175.02 177.48 1xck s ASN 112 N -2.88 6.82 0.15 3.03 3.84 -1.26 -4.43 114.94 120.20 1xck s ASN 112 Ca 0.59 2.01 -0.19 0.00 0.21 0.00 0.00 52.86 55.48 1xck s ASN 112 Cb -0.10 -2.54 0.03 0.00 -0.55 0.00 0.00 41.25 38.09 1xck s ASN 112 CO 0.27 -0.81 1.68 -0.65 -2.79 0.00 0.00 177.10 174.81 1xck h PRO 113 N 8.60 -0.02 -0.65 0.43 0.11 -1.94 -0.70 132.00 137.84 1xck h PRO 113 Ca -0.34 0.00 0.02 0.00 0.11 0.00 0.00 66.00 65.78 1xck h PRO 113 Cb 1.15 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.23 1xck h PRO 113 CO 0.94 -0.01 0.43 0.52 -0.21 0.00 0.00 178.00 179.67 1xck h MET 114 N -0.02 0.82 -0.16 1.05 2.86 -1.92 -0.86 114.93 116.70 1xck h MET 114 Ca 0.14 -0.05 -0.22 0.00 -2.06 0.00 0.00 59.70 57.52 1xck h MET 114 Cb 0.24 -0.18 0.01 0.00 0.06 0.00 0.00 31.60 31.72 1xck h MET 114 CO -0.31 0.54 -0.76 -0.44 1.06 0.00 0.00 176.91 177.00 1xck h ASP 115 N 0.84 0.90 -0.96 1.22 3.32 -1.77 -1.64 116.42 118.33 1xck h ASP 115 Ca 0.24 -0.58 0.01 0.00 0.02 0.00 0.00 57.03 56.73 1xck h ASP 115 Cb -0.04 -0.26 -0.05 0.00 0.22 0.00 0.00 39.33 39.19 1xck h ASP 115 CO -0.06 1.37 0.64 -0.07 -1.72 0.00 0.00 179.24 179.40 1xck h LEU 116 N 0.52 1.10 -0.06 1.55 3.38 -0.57 -0.16 115.31 121.08 1xck h LEU 116 Ca -0.05 -0.03 -0.01 0.00 0.09 0.00 0.00 57.88 57.89 1xck h LEU 116 Cb 1.38 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 41.86 1xck h LEU 116 CO 0.15 0.79 0.01 0.50 0.09 0.00 0.00 178.44 179.99 1xck h LYS 117 N 1.30 0.09 -0.89 1.13 3.64 -1.07 -1.20 116.57 119.57 1xck h LYS 117 Ca 0.36 -0.02 0.07 0.00 -1.27 0.00 0.00 60.65 59.79 1xck h LYS 117 Cb -0.13 -0.01 -0.07 0.00 -0.41 0.00 0.00 32.23 31.61 1xck h LYS 117 CO -0.08 0.31 0.55 -0.09 -2.27 0.00 0.00 179.45 177.88 1xck h ARG 118 N -0.15 0.96 -0.66 1.90 2.43 -0.83 0.12 114.38 118.15 1xck h ARG 118 Ca 0.02 -0.06 -0.09 0.00 -0.81 0.00 0.00 59.98 59.04 1xck h ARG 118 Cb 0.27 -0.22 -0.03 0.00 -0.42 0.00 0.00 29.97 29.58 1xck h ARG 118 CO 0.00 0.63 0.07 0.78 -1.51 0.00 0.00 179.97 179.95 1xck h GLY 119 N 0.99 1.20 0.91 2.80 0.00 -0.89 -0.07 103.07 108.01 1xck h GLY 119 Ca 0.40 -0.83 -0.02 0.00 0.00 0.00 0.00 47.33 46.89 1xck h GLY 119 CO -0.19 0.76 0.11 -2.22 0.00 0.00 0.00 176.54 175.00 1xck h ILE 120 N 1.03 1.18 -0.68 2.60 2.04 -0.15 -1.78 117.51 121.75 1xck h ILE 120 Ca 0.20 -0.57 0.01 0.00 1.00 0.00 0.00 64.86 65.49 1xck h ILE 120 Cb 0.48 1.01 -0.03 0.00 -0.74 0.00 0.00 36.82 37.54 1xck h ILE 120 CO 0.02 0.19 0.44 0.44 0.00 0.00 0.00 178.15 179.25 1xck h ASP 121 N 0.32 0.78 -0.22 1.72 3.32 -0.59 -0.38 116.42 121.37 1xck h ASP 121 Ca 0.10 -0.03 0.00 0.00 0.02 0.00 0.00 57.03 57.12 1xck h ASP 121 Cb 0.20 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 39.54 1xck h ASP 121 CO -0.01 0.57 0.15 0.50 -1.72 0.00 0.00 179.24 178.73 1xck h LYS 122 N 0.92 0.29 -0.39 3.56 3.64 -0.80 0.04 116.57 123.83 1xck h LYS 122 Ca 0.25 -0.02 0.05 0.00 -1.27 0.00 0.00 60.65 59.66 1xck h LYS 122 Cb -0.10 -0.07 -0.05 0.00 -0.41 0.00 0.00 32.23 31.61 1xck h LYS 122 CO -0.05 0.19 0.12 0.00 -2.27 0.00 0.00 179.45 177.44 1xck h ALA 123 N 1.08 0.45 -0.27 5.00 0.00 -0.90 -1.06 119.26 123.55 1xck h ALA 123 Ca 0.08 0.05 -0.00 0.00 0.00 0.00 0.00 54.91 55.04 1xck h ALA 123 Cb -0.03 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 1xck h ALA 123 CO -0.02 -0.27 0.16 0.28 0.00 0.00 0.00 179.25 179.40 1xck h VAL 124 N 0.27 1.10 -0.32 0.00 2.07 -0.71 0.33 116.25 119.00 1xck h VAL 124 Ca 0.18 -0.25 0.05 0.00 0.82 0.00 0.00 66.70 67.50 1xck h VAL 124 Cb 0.18 0.78 -0.04 0.00 -1.52 0.00 0.00 31.29 30.68 1xck h VAL 124 CO -0.20 0.10 0.04 0.74 0.02 0.00 0.00 177.57 178.27 1xck h THR 125 N 0.34 0.82 -0.67 2.57 2.02 -0.63 0.11 112.91 117.47 1xck h THR 125 Ca 0.10 -0.05 -0.00 0.00 0.77 0.00 0.00 66.41 67.23 1xck h THR 125 Cb 0.02 0.66 -0.03 0.00 -1.74 0.00 0.00 68.15 67.06 1xck h THR 125 CO -0.02 0.03 0.41 0.00 0.37 0.00 0.00 175.52 176.31 1xck h ALA 126 N 1.25 0.85 -0.58 6.16 0.00 -0.91 -2.51 119.26 123.53 1xck h ALA 126 Ca 0.15 -0.08 -0.02 0.00 0.00 0.00 0.00 54.91 54.97 1xck h ALA 126 Cb 0.18 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 17.67 1xck h ALA 126 CO -0.22 0.32 0.29 0.00 0.00 0.00 0.00 179.25 179.64 1xck h ALA 127 N 1.21 1.41 -0.28 0.00 0.00 0.78 -1.44 119.26 120.95 1xck h ALA 127 Ca 0.24 -0.11 -0.10 0.00 0.00 0.00 0.00 54.91 54.94 1xck h ALA 127 Cb -0.04 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.50 1xck h ALA 127 CO -0.05 0.47 -0.25 0.28 0.00 0.00 0.00 179.25 179.70 1xck h VAL 128 N 0.82 1.27 -0.11 0.00 2.07 -0.41 -0.25 116.25 119.64 1xck h VAL 128 Ca 0.20 -1.29 -0.05 0.00 0.82 0.00 0.00 66.70 66.38 1xck h VAL 128 Cb 0.08 1.33 -0.00 0.00 -1.52 0.00 0.00 31.29 31.18 1xck h VAL 128 CO -0.03 0.41 -0.14 -0.33 0.02 0.00 0.00 177.57 177.51 1xck h GLU 129 N 0.47 0.29 -0.20 1.57 4.39 -1.12 -2.16 114.58 117.82 1xck h GLU 129 Ca 0.07 -0.16 0.06 0.00 0.34 0.00 0.00 59.36 59.66 1xck h GLU 129 Cb 0.69 0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 29.34 1xck h GLU 129 CO 0.05 0.72 0.17 1.49 -1.16 0.00 0.00 179.01 180.29 1xck h GLU 130 N -0.12 0.00 -0.06 2.33 4.57 -1.12 -0.53 114.58 119.65 1xck h GLU 130 Ca 0.01 0.00 -0.20 0.00 -1.18 0.00 0.00 59.36 57.99 1xck h GLU 130 Cb 0.68 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 29.27 1xck h GLU 130 CO 0.03 0.00 -0.81 1.25 -1.18 0.00 0.00 179.01 178.30 1xck h LEU 131 N 0.00 0.54 -0.62 1.64 5.85 -0.59 -2.10 115.31 120.02 1xck h LEU 131 Ca 0.10 -0.38 -0.14 0.00 0.84 0.00 0.00 57.88 58.30 1xck h LEU 131 Cb 0.44 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 41.30 1xck h LEU 131 CO -0.00 1.14 -0.40 0.11 -0.34 0.00 0.00 178.44 178.96 1xck h LYS 132 N 0.28 0.63 -0.28 1.25 1.57 -0.49 -1.58 116.57 117.95 1xck h LYS 132 Ca -0.05 -0.32 -0.04 0.00 -1.87 0.00 0.00 60.65 58.37 1xck h LYS 132 Cb 1.41 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 33.72 1xck h LYS 132 CO 0.14 0.92 0.01 0.00 -0.57 0.00 0.00 179.45 179.96 1xck h ALA 133 N 1.04 0.38 0.00 3.86 0.00 -1.34 -2.61 119.26 120.59 1xck h ALA 133 Ca 0.04 -0.22 -0.03 0.00 0.00 0.00 0.00 54.91 54.71 1xck h ALA 133 Cb 0.92 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.60 1xck h ALA 133 CO 0.08 0.10 -0.14 1.25 0.00 0.00 0.00 179.25 180.54 1xck h LEU 134 N 0.29 0.00 -9.83 0.00 7.12 -1.27 -3.44 115.31 108.18 1xck h LEU 134 Ca 0.08 0.00 -0.55 0.00 0.13 0.00 0.00 57.88 57.54 1xck h LEU 134 Cb 0.40 0.00 0.10 0.00 -0.53 0.00 0.00 40.66 40.63 1xck h LEU 134 CO 0.01 0.14 0.75 -0.24 -0.13 0.00 0.00 178.44 178.97 1xck n SER 135 N -4.16 3.54 -4.48 1.25 2.88 -0.61 -4.87 113.62 107.18 1xck n SER 135 Ca -0.02 1.19 -0.33 0.00 -1.33 0.00 0.00 58.87 58.37 1xck n SER 135 Cb 0.22 -1.57 -0.13 0.00 -0.75 0.00 0.00 64.21 61.98 1xck n SER 135 CO 0.00 0.00 0.00 -0.69 -1.23 0.00 0.00 175.04 173.12 1xck s VAL 136 N -0.65 3.60 0.65 2.46 1.01 0.27 -4.92 120.40 122.81 1xck s VAL 136 Ca 0.58 -0.47 -0.17 0.00 0.00 0.00 0.00 61.98 61.92 1xck s VAL 136 Cb -0.51 -2.54 -0.01 0.00 0.00 0.00 0.00 36.38 33.32 1xck s VAL 136 CO 0.57 0.52 1.20 -2.84 0.00 0.00 0.00 175.10 174.55 1xck s PRO 137 N 0.11 2.68 -0.40 2.72 0.02 -1.26 -0.59 135.00 138.28 1xck s PRO 137 Ca -0.03 1.76 0.02 0.00 0.02 0.00 0.00 61.00 62.77 1xck s PRO 137 Cb -0.14 -1.90 0.15 0.00 0.02 0.00 0.00 34.50 32.63 1xck s PRO 137 CO 0.03 -1.42 0.26 0.00 -0.33 0.00 0.00 177.00 175.55 1xck n SER 139 N 3.53 0.82 -4.76 0.00 7.64 -1.26 -4.20 113.62 115.39 1xck n SER 139 Ca 0.16 0.11 -0.39 0.00 1.01 0.00 0.00 58.87 59.76 1xck n SER 139 Cb 0.39 -0.27 0.02 0.00 -1.01 0.00 0.00 64.21 63.34 1xck n SER 139 CO 0.00 0.00 0.00 1.51 -3.01 0.00 0.00 175.04 173.54 1xck s ASP 140 N -5.71 5.87 0.13 6.43 -4.77 -1.26 -4.76 116.67 112.60 1xck s ASP 140 Ca -0.03 2.83 0.09 0.00 -3.30 0.00 0.00 52.55 52.14 1xck s ASP 140 Cb 0.01 -2.65 0.48 0.00 -1.09 0.00 0.00 42.92 39.67 1xck s ASP 140 CO 0.04 -1.17 1.27 -1.54 0.70 0.00 0.00 175.17 174.47 1xck n SER 141 N -0.27 0.23 -0.01 2.11 3.41 -1.26 -0.69 113.62 117.14 1xck n SER 141 Ca 0.06 0.61 -0.13 0.00 -0.26 0.00 0.00 58.87 59.14 1xck n SER 141 Cb 0.43 -0.64 -0.01 0.00 -0.26 0.00 0.00 64.21 63.73 1xck n SER 141 CO 0.00 0.00 0.00 0.50 -0.16 0.00 0.00 175.04 175.38 1xck h LYS 142 N 0.00 0.66 -0.06 4.33 3.64 -2.00 -1.84 116.57 121.30 1xck h LYS 142 Ca 0.00 -0.48 -0.13 0.00 -1.27 0.00 0.00 60.65 58.77 1xck h LYS 142 Cb 0.00 0.08 0.01 0.00 -0.41 0.00 0.00 32.23 31.91 1xck h LYS 142 CO 0.00 1.10 -0.45 0.00 -2.27 0.00 0.00 179.45 177.83 1xck h ALA 143 N 0.77 0.14 -0.91 5.00 0.00 -1.26 -2.86 119.26 120.14 1xck h ALA 143 Ca -0.02 -0.50 0.16 0.00 0.00 0.00 0.00 54.91 54.55 1xck h ALA 143 Cb 1.26 0.00 -0.08 0.00 0.00 0.00 0.00 17.79 18.97 1xck h ALA 143 CO 0.13 0.30 0.59 0.82 0.00 0.00 0.00 179.25 181.08 1xck h ILE 144 N -0.06 0.80 -0.11 0.00 2.04 -1.30 -0.60 117.51 118.28 1xck h ILE 144 Ca -0.04 -0.23 -0.03 0.00 1.00 0.00 0.00 64.86 65.56 1xck h ILE 144 Cb 1.12 0.06 -0.00 0.00 -0.74 0.00 0.00 36.82 37.26 1xck h ILE 144 CO 0.09 0.12 -0.04 0.00 0.00 0.00 0.00 178.15 178.33 1xck h ALA 145 N 1.60 0.16 -0.25 1.87 0.00 -1.30 -1.90 119.26 119.43 1xck h ALA 145 Ca 0.47 -0.23 0.03 0.00 0.00 0.00 0.00 54.91 55.18 1xck h ALA 145 Cb 0.79 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.52 1xck h ALA 145 CO -0.23 -0.09 0.08 1.96 0.00 0.00 0.00 179.25 180.97 1xck h GLN 146 N -0.11 0.18 0.17 0.00 4.20 -0.98 0.19 115.11 118.77 1xck h GLN 146 Ca 0.03 -0.01 -0.00 0.00 0.06 0.00 0.00 58.65 58.72 1xck h GLN 146 Cb 0.47 -0.04 -0.01 0.00 0.30 0.00 0.00 27.48 28.20 1xck h GLN 146 CO 0.01 0.12 -0.12 0.28 -0.67 0.00 0.00 178.83 178.45 1xck h VAL 147 N 0.19 0.73 -0.86 -0.54 2.07 -1.20 0.18 116.25 116.83 1xck h VAL 147 Ca 0.11 0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.71 1xck h VAL 147 Cb 0.09 0.73 -0.06 0.00 -1.52 0.00 0.00 31.29 30.53 1xck h VAL 147 CO -0.12 0.00 0.56 1.23 0.02 0.00 0.00 177.57 179.25 1xck h GLY 148 N -0.30 1.22 1.09 2.17 0.00 -1.04 -0.02 103.07 106.20 1xck h GLY 148 Ca -0.01 -0.37 -0.13 0.00 0.00 0.00 0.00 47.33 46.82 1xck h GLY 148 CO -0.00 0.25 -0.19 -0.84 0.00 0.00 0.00 176.54 175.76 1xck h THR 149 N 0.91 1.27 -0.50 4.70 2.02 0.09 0.82 112.91 122.22 1xck h THR 149 Ca 0.38 -1.35 -0.11 0.00 0.77 0.00 0.00 66.41 66.10 1xck h THR 149 Cb 0.28 1.12 -0.02 0.00 -1.74 0.00 0.00 68.15 67.80 1xck h THR 149 CO -0.14 0.47 -0.12 0.40 0.37 0.00 0.00 175.52 176.50 1xck h ILE 150 N 0.83 1.27 -0.09 3.11 2.04 0.16 0.63 117.51 125.46 1xck h ILE 150 Ca 0.11 -1.26 -0.10 0.00 1.00 0.00 0.00 64.86 64.61 1xck h ILE 150 Cb 0.77 1.04 -0.01 0.00 -0.74 0.00 0.00 36.82 37.88 1xck h ILE 150 CO 0.06 0.44 -0.42 0.28 0.00 0.00 0.00 178.15 178.52 1xck h SER 151 N 0.83 0.21 -0.01 1.72 0.02 -0.92 -2.33 113.55 113.07 1xck h SER 151 Ca 0.13 -0.09 0.00 0.00 -0.84 0.00 0.00 61.79 60.99 1xck h SER 151 Cb 0.68 -0.06 0.00 0.00 0.14 0.00 0.00 62.40 63.16 1xck h SER 151 CO 0.05 0.61 0.00 0.00 -1.14 0.00 0.00 176.83 176.35 1xck n ALA 152 N -2.47 2.50 -2.91 3.77 0.00 0.27 -4.54 120.51 117.12 1xck n ALA 152 Ca -0.02 -0.01 -0.09 0.00 0.00 0.00 0.00 53.44 53.32 1xck n ALA 152 Cb 0.48 -1.00 0.03 0.00 0.00 0.00 0.00 19.45 18.96 1xck n ALA 152 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1xck n ASN 153 N -0.41 -3.65 -0.52 0.00 5.15 -0.88 -3.56 115.26 111.39 1xck n ASN 153 Ca 0.00 -0.21 -0.06 0.00 -0.60 0.00 0.00 54.58 53.71 1xck n ASN 153 Cb 0.04 -2.29 -0.02 0.00 -0.53 0.00 0.00 39.78 36.98 1xck n ASN 153 CO 0.00 0.00 0.00 -1.20 1.40 0.00 0.00 177.26 177.46 1xck n SER 154 N -0.36 -3.14 -4.38 1.20 7.64 0.22 -5.00 113.62 109.79 1xck n SER 154 Ca -0.00 0.08 -0.45 0.00 1.01 0.00 0.00 58.87 59.51 1xck n SER 154 Cb 0.53 -1.69 -0.04 0.00 -1.01 0.00 0.00 64.21 61.99 1xck n SER 154 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1xck s ASP 155 N -2.86 6.20 0.53 6.43 -1.08 -1.12 -4.90 116.67 119.87 1xck s ASP 155 Ca 0.00 -1.44 0.23 0.00 -0.52 0.00 0.00 52.55 50.81 1xck s ASP 155 Cb 0.00 -2.31 1.37 0.00 -1.46 0.00 0.00 42.92 40.52 1xck s ASP 155 CO 0.00 -1.13 2.04 -0.33 0.52 0.00 0.00 175.17 176.27 1xck h GLU 156 N 9.18 0.00 -0.19 4.34 5.08 -1.94 -2.24 114.58 128.82 1xck h GLU 156 Ca -0.28 0.00 0.02 0.00 -1.00 0.00 0.00 59.36 58.10 1xck h GLU 156 Cb 1.08 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.31 1xck h GLU 156 CO 1.10 0.00 0.05 1.15 -1.00 0.00 0.00 179.01 180.31 1xck h THR 157 N 0.00 0.93 -0.67 1.13 2.02 -1.98 -0.14 112.91 114.20 1xck h THR 157 Ca 0.18 -0.05 -0.03 0.00 0.77 0.00 0.00 66.41 67.28 1xck h THR 157 Cb 0.72 0.79 -0.03 0.00 -1.74 0.00 0.00 68.15 67.89 1xck h THR 157 CO -0.00 0.02 0.29 0.58 0.37 0.00 0.00 175.52 176.78 1xck h VAL 158 N 0.13 1.24 -0.36 3.16 2.07 -1.76 0.13 116.25 120.86 1xck h VAL 158 Ca 0.08 -0.72 0.03 0.00 0.82 0.00 0.00 66.70 66.92 1xck h VAL 158 Cb 0.07 0.45 -0.03 0.00 -1.52 0.00 0.00 31.29 30.26 1xck h VAL 158 CO -0.10 0.29 0.16 1.23 0.02 0.00 0.00 177.57 179.17 1xck h GLY 159 N 0.95 0.47 0.83 2.17 0.00 -1.26 -0.56 103.07 105.66 1xck h GLY 159 Ca 0.23 -0.10 -0.03 0.00 0.00 0.00 0.00 47.33 47.42 1xck h GLY 159 CO -0.02 0.07 -0.43 1.70 0.00 0.00 0.00 176.54 177.86 1xck h LYS 160 N 0.33 -1.01 -0.72 4.80 3.64 -0.62 -0.63 116.57 122.36 1xck h LYS 160 Ca 0.16 0.07 0.08 0.00 -1.27 0.00 0.00 60.65 59.68 1xck h LYS 160 Cb 0.09 0.23 -0.11 0.00 -0.41 0.00 0.00 32.23 32.04 1xck h LYS 160 CO -0.13 -0.68 -0.54 -0.07 -2.27 0.00 0.00 179.45 175.77 1xck h LEU 161 N -1.05 -1.90 -0.93 5.20 3.38 -0.43 0.24 115.31 119.82 1xck h LEU 161 Ca -0.09 0.29 0.04 0.00 0.09 0.00 0.00 57.88 58.21 1xck h LEU 161 Cb 0.85 0.83 -0.06 0.00 0.09 0.00 0.00 40.66 42.37 1xck h LEU 161 CO 0.09 -0.31 0.60 0.40 0.09 0.00 0.00 178.44 179.30 1xck h ILE 162 N -0.18 1.14 -0.02 1.22 2.04 -1.02 0.03 117.51 120.72 1xck h ILE 162 Ca 0.15 -0.39 -0.00 0.00 1.00 0.00 0.00 64.86 65.61 1xck h ILE 162 Cb 0.51 -0.11 -0.00 0.00 -0.74 0.00 0.00 36.82 36.48 1xck h ILE 162 CO -0.78 0.21 0.01 0.00 0.00 0.00 0.00 178.15 177.59 1xck h ALA 163 N 1.39 0.03 -0.64 1.87 0.00 0.56 -0.48 119.26 121.99 1xck h ALA 163 Ca 0.38 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 55.23 1xck h ALA 163 Cb 0.03 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 17.78 1xck h ALA 163 CO -0.13 -0.42 0.38 0.93 0.00 0.00 0.00 179.25 180.01 1xck h GLU 164 N -0.06 0.87 -0.63 0.00 5.08 -0.23 -1.28 114.58 118.32 1xck h GLU 164 Ca 0.01 -0.08 -0.03 0.00 -1.00 0.00 0.00 59.36 58.25 1xck h GLU 164 Cb 0.10 -0.18 -0.03 0.00 0.50 0.00 0.00 28.75 29.14 1xck h GLU 164 CO -0.00 0.62 0.26 0.00 -1.00 0.00 0.00 179.01 178.89 1xck h ALA 165 N 1.20 0.82 0.00 3.43 0.00 -0.82 -1.90 119.26 121.99 1xck h ALA 165 Ca 0.23 -0.17 -0.06 0.00 0.00 0.00 0.00 54.91 54.91 1xck h ALA 165 Cb -0.02 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.51 1xck h ALA 165 CO -0.04 0.43 -0.31 0.52 0.00 0.00 0.00 179.25 179.85 1xck h MET 166 N 0.89 0.00 -0.30 0.00 2.86 -0.80 -2.24 114.93 115.33 1xck h MET 166 Ca 0.21 0.00 -0.14 0.00 -2.06 0.00 0.00 59.70 57.71 1xck h MET 166 Cb 0.19 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.84 1xck h MET 166 CO -0.02 0.31 -0.37 0.22 1.06 0.00 0.00 176.91 178.11 1xck h ASP 167 N 0.00 0.74 0.28 1.22 3.58 -0.66 0.33 116.42 121.90 1xck h ASP 167 Ca -0.00 -0.32 -0.01 0.00 0.42 0.00 0.00 57.03 57.11 1xck h ASP 167 Cb 0.68 -0.21 0.00 0.00 1.72 0.00 0.00 39.33 41.53 1xck h ASP 167 CO 0.04 1.03 -0.13 0.11 -2.88 0.00 0.00 179.24 177.41 1xck h LYS 168 N 0.58 -0.36 -0.00 0.28 1.79 -0.78 -3.34 116.57 114.74 1xck h LYS 168 Ca 0.05 0.02 0.00 0.00 -2.18 0.00 0.00 60.65 58.55 1xck h LYS 168 Cb 0.90 0.08 0.00 0.00 -1.58 0.00 0.00 32.23 31.64 1xck h LYS 168 CO 0.08 -0.05 -0.79 1.33 -1.08 0.00 0.00 179.45 178.94 1xck n VAL 169 N -5.12 0.00 0.00 0.50 0.24 -1.01 -5.09 118.33 107.84 1xck n VAL 169 Ca -0.09 -0.08 0.00 0.00 -2.04 0.00 0.00 64.34 62.13 1xck n VAL 169 Cb 0.25 0.99 0.00 0.00 -1.47 0.00 0.00 33.84 33.61 1xck n VAL 169 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1xck n GLY 170 N 1.47 0.40 0.31 7.63 0.00 0.12 -3.31 105.19 111.80 1xck n GLY 170 Ca 0.06 -1.86 -0.00 0.00 0.00 0.00 0.00 46.02 44.22 1xck n GLY 170 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1xck h LYS 171 N 0.00 0.90 -0.01 1.61 1.79 -1.95 -1.82 116.57 117.09 1xck h LYS 171 Ca 0.00 -0.05 0.00 0.00 -2.18 0.00 0.00 60.65 58.42 1xck h LYS 171 Cb 0.00 -0.20 0.00 0.00 -1.58 0.00 0.00 32.23 30.45 1xck h LYS 171 CO 0.00 0.60 -0.02 0.39 -1.08 0.00 0.00 179.45 179.34 1xck n GLU 172 N -4.64 1.38 -0.86 3.15 -0.58 -1.26 -4.96 120.64 112.87 1xck n GLU 172 Ca 0.11 -0.63 -0.28 0.00 -0.42 0.00 0.00 57.16 55.94 1xck n GLU 172 Cb 0.16 -1.49 0.21 0.00 -0.57 0.00 0.00 31.44 29.76 1xck n GLU 172 CO 0.00 0.00 0.00 0.20 -0.48 0.00 0.00 177.13 176.85 1xck s GLY 173 N -2.05 1.55 -0.27 0.62 0.00 -0.68 -5.01 107.32 101.48 1xck s GLY 173 Ca 0.40 -0.25 -0.11 0.00 0.00 0.00 0.00 44.72 44.76 1xck s GLY 173 CO 0.36 0.42 0.17 0.14 0.00 0.00 0.00 173.10 174.19 1xck s VAL 174 N -2.72 5.23 -0.10 1.40 1.01 -1.26 -4.96 120.40 119.00 1xck s VAL 174 Ca 0.67 0.14 0.02 0.00 0.00 0.00 0.00 61.98 62.81 1xck s VAL 174 Cb -0.22 -3.48 -0.01 0.00 0.00 0.00 0.00 36.38 32.67 1xck s VAL 174 CO 0.61 0.28 -0.17 -0.63 0.00 0.00 0.00 175.10 175.19 1xck s ILE 175 N 1.61 2.77 0.22 2.22 1.01 -1.26 -0.34 121.20 127.42 1xck s ILE 175 Ca 0.07 -0.78 0.11 0.00 0.00 0.00 0.00 60.65 60.05 1xck s ILE 175 Cb -0.15 -2.11 -0.05 0.00 0.01 0.00 0.00 42.46 40.15 1xck s ILE 175 CO 0.09 0.55 -0.22 -0.89 0.00 0.00 0.00 174.94 174.47 1xck s THR 176 N 0.06 2.45 -0.05 2.92 2.01 -0.06 -4.96 115.64 118.00 1xck s THR 176 Ca -0.07 -2.14 0.02 0.00 0.31 0.00 0.00 61.69 59.81 1xck s THR 176 Cb -0.15 -2.21 0.01 0.00 0.01 0.00 0.00 72.50 70.16 1xck s THR 176 CO 0.05 -0.22 -0.09 -0.69 -0.69 0.00 0.00 174.62 172.98 1xck s VAL 177 N -1.97 0.88 0.21 3.82 1.01 -1.26 -0.47 120.40 122.62 1xck s VAL 177 Ca 0.24 -0.34 0.01 0.00 0.00 0.00 0.00 61.98 61.88 1xck s VAL 177 Cb -0.07 -0.82 -0.05 0.00 0.00 0.00 0.00 36.38 35.44 1xck s VAL 177 CO 0.12 0.29 0.08 -1.61 0.00 0.00 0.00 175.10 173.99 1xck s GLU 178 N 0.65 1.25 0.59 2.72 2.02 0.14 -4.95 118.70 121.12 1xck s GLU 178 Ca -0.12 -1.65 -0.19 0.00 0.02 0.00 0.00 54.97 53.03 1xck s GLU 178 Cb -0.14 -0.07 -0.03 0.00 0.10 0.00 0.00 34.13 33.98 1xck s GLU 178 CO 0.02 -0.29 1.26 -0.51 0.02 0.00 0.00 175.26 175.76 1xck s ASP 179 N -3.22 5.10 0.46 -0.19 1.01 -1.26 -2.00 116.67 116.57 1xck s ASP 179 Ca 0.34 2.52 -0.10 0.00 0.71 0.00 0.00 52.55 56.03 1xck s ASP 179 Cb 0.07 -2.61 -0.06 0.00 1.01 0.00 0.00 42.92 41.34 1xck s ASP 179 CO 0.10 -1.66 0.83 -0.83 0.21 0.00 0.00 175.17 173.82 1xck s GLY 180 N -1.40 1.81 0.38 0.21 0.00 -0.38 -4.44 107.32 103.49 1xck s GLY 180 Ca 0.77 -0.23 0.21 0.00 0.00 0.00 0.00 44.72 45.47 1xck s GLY 180 CO 0.38 -0.03 1.62 -0.91 0.00 0.00 0.00 173.10 174.16 1xck h THR 181 N 0.68 0.52 0.00 0.90 1.35 -1.87 -3.48 112.91 111.00 1xck h THR 181 Ca -0.47 -1.51 0.00 0.00 -0.55 0.00 0.00 66.41 63.88 1xck h THR 181 Cb 1.19 2.08 0.00 0.00 -1.73 0.00 0.00 68.15 69.69 1xck h THR 181 CO 0.63 0.27 0.00 0.61 -0.25 0.00 0.00 175.52 176.77 1xck n GLY 182 N 0.82 1.33 3.77 5.82 0.00 -1.26 -5.12 105.19 110.55 1xck n GLY 182 Ca 0.02 -0.23 -0.38 0.00 0.00 0.00 0.00 46.02 45.43 1xck n GLY 182 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1xck s LEU 183 N 0.00 4.40 0.00 0.99 1.98 -1.13 -2.49 118.68 122.43 1xck s LEU 183 Ca 0.00 1.96 0.00 0.00 -2.89 0.00 0.00 54.13 53.20 1xck s LEU 183 Cb 0.00 -3.91 0.00 0.00 0.66 0.00 0.00 46.19 42.94 1xck s LEU 183 CO 0.00 -0.11 0.00 0.00 -1.89 0.00 0.00 176.35 174.35 1xck n GLN 184 N 0.72 0.00 -1.13 1.98 6.02 -1.26 -4.77 117.38 118.93 1xck n GLN 184 Ca 0.01 0.14 -0.29 0.00 -0.01 0.00 0.00 57.00 56.86 1xck n GLN 184 Cb 0.49 0.00 0.18 0.00 1.02 0.00 0.00 30.24 31.93 1xck n GLN 184 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 1xck s ASP 185 N -0.13 2.49 -0.07 1.08 1.01 -1.26 -4.12 116.67 115.67 1xck s ASP 185 Ca 0.00 1.20 -0.09 0.00 0.71 0.00 0.00 52.55 54.37 1xck s ASP 185 Cb 0.00 -1.87 0.02 0.00 1.01 0.00 0.00 42.92 42.08 1xck s ASP 185 CO 0.00 -3.22 0.23 -1.61 0.21 0.00 0.00 175.17 170.78 1xck s GLU 186 N -4.94 0.35 -0.01 8.23 2.02 -0.25 -4.89 118.70 119.21 1xck s GLU 186 Ca 0.66 0.17 0.01 0.00 0.02 0.00 0.00 54.97 55.82 1xck s GLU 186 Cb -0.19 0.16 0.01 0.00 0.10 0.00 0.00 34.13 34.21 1xck s GLU 186 CO 0.58 -0.06 -0.03 -1.17 0.02 0.00 0.00 175.26 174.60 1xck s LEU 187 N -0.25 1.75 -0.29 1.80 2.96 -1.26 -0.46 118.68 122.94 1xck s LEU 187 Ca -0.04 -0.06 -0.19 0.00 -0.22 0.00 0.00 54.13 53.62 1xck s LEU 187 Cb -0.03 -0.22 0.15 0.00 0.50 0.00 0.00 46.19 46.58 1xck s LEU 187 CO 0.01 0.00 1.05 1.51 -1.32 0.00 0.00 176.35 177.60 1xck s ASP 188 N 0.26 -0.42 -0.16 3.68 -4.77 -1.10 -4.98 116.67 109.18 1xck s ASP 188 Ca -0.02 0.72 -0.24 0.00 -3.30 0.00 0.00 52.55 49.70 1xck s ASP 188 Cb -0.06 1.01 -0.02 0.00 -1.09 0.00 0.00 42.92 42.77 1xck s ASP 188 CO -0.00 -0.12 0.79 -0.69 0.70 0.00 0.00 175.17 175.85 1xck s VAL 189 N 0.90 4.92 0.37 2.11 1.01 -1.26 -1.79 120.40 126.65 1xck s VAL 189 Ca -0.04 1.55 0.09 0.00 0.00 0.00 0.00 61.98 63.58 1xck s VAL 189 Cb -0.04 -4.10 -0.07 0.00 0.00 0.00 0.00 36.38 32.17 1xck s VAL 189 CO -0.12 0.07 -0.06 0.68 0.00 0.00 0.00 175.10 175.67 1xck s VAL 190 N 1.93 2.16 0.18 2.92 -7.23 -0.45 -4.89 120.40 115.02 1xck s VAL 190 Ca 0.37 -2.13 -0.32 0.00 -1.81 0.00 0.00 61.98 58.09 1xck s VAL 190 Cb -0.17 -2.77 -0.11 0.00 0.56 0.00 0.00 36.38 33.89 1xck s VAL 190 CO 0.13 -0.13 1.74 -1.61 -0.31 0.00 0.00 175.10 174.92 1xck s GLU 191 N -3.65 4.14 0.02 4.82 0.41 -1.26 -0.90 118.70 122.29 1xck s GLU 191 Ca 0.33 2.58 -0.29 0.00 -0.41 0.00 0.00 54.97 57.19 1xck s GLU 191 Cb 0.05 -3.25 0.11 0.00 -1.78 0.00 0.00 34.13 29.26 1xck s GLU 191 CO 0.17 -0.77 1.22 0.20 -0.49 0.00 0.00 175.26 175.59 1xck s GLY 192 N 1.66 -0.32 0.23 -1.39 0.00 -1.26 0.50 107.32 106.75 1xck s GLY 192 Ca 0.76 0.45 -0.21 0.00 0.00 0.00 0.00 44.72 45.72 1xck s GLY 192 CO 0.33 0.96 0.66 -0.29 0.00 0.00 0.00 173.10 174.76 1xck s MET 193 N -2.49 1.58 -0.17 2.90 1.75 -0.48 -3.96 119.30 118.44 1xck s MET 193 Ca 0.16 -0.81 -0.09 0.00 -1.25 0.00 0.00 55.69 53.70 1xck s MET 193 Cb 0.03 0.59 0.06 0.00 2.84 0.00 0.00 34.83 38.35 1xck s MET 193 CO -0.02 -0.71 0.41 -1.14 -0.65 0.00 0.00 175.02 172.91 1xck s GLN 194 N -3.86 0.37 0.25 4.11 0.74 -1.26 -0.20 119.66 119.81 1xck s GLN 194 Ca 0.08 0.82 0.10 0.00 0.05 0.00 0.00 55.36 56.41 1xck s GLN 194 Cb -0.04 0.02 -0.05 0.00 1.10 0.00 0.00 33.01 34.05 1xck s GLN 194 CO -0.00 -0.17 -0.18 -0.59 -0.55 0.00 0.00 175.29 173.80 1xck s PHE 195 N 1.59 2.07 -1.41 1.67 -0.71 -0.01 -4.99 117.98 116.18 1xck s PHE 195 Ca -0.08 -0.43 -0.15 0.00 -1.04 0.00 0.00 56.93 55.23 1xck s PHE 195 Cb -0.09 -0.92 0.05 0.00 -1.21 0.00 0.00 43.02 40.85 1xck s PHE 195 CO -0.13 0.58 2.10 -0.25 -1.34 0.00 0.00 175.22 176.18 1xck n ASP 196 N -0.53 4.17 -3.74 1.98 8.00 -1.26 -1.57 116.55 123.60 1xck n ASP 196 Ca -0.06 -2.87 -0.13 0.00 0.71 0.00 0.00 54.79 52.44 1xck n ASP 196 Cb 0.60 -1.67 -0.13 0.00 -0.02 0.00 0.00 41.12 39.90 1xck n ASP 196 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 1xck s ARG 197 N 3.24 0.19 0.10 -1.24 1.81 -0.91 -4.85 118.95 117.29 1xck s ARG 197 Ca 0.48 0.48 0.02 0.00 -1.72 0.00 0.00 55.73 54.98 1xck s ARG 197 Cb 0.11 -0.10 0.02 0.00 -0.45 0.00 0.00 34.95 34.53 1xck s ARG 197 CO -0.05 -0.15 0.13 0.41 -0.68 0.00 0.00 175.30 174.96 1xck n GLY 198 N 4.08 2.00 3.76 -3.53 0.00 -1.25 -0.67 105.19 109.56 1xck n GLY 198 Ca -0.24 -2.15 -0.41 0.00 0.00 0.00 0.00 46.02 43.22 1xck n GLY 198 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1xck s TYR 199 N 0.34 3.12 -1.90 1.61 -0.85 -0.39 -4.53 117.35 114.75 1xck s TYR 199 Ca 0.10 1.29 0.00 0.00 -0.52 0.00 0.00 57.07 57.94 1xck s TYR 199 Cb -0.01 -3.67 0.00 0.00 0.38 0.00 0.00 41.96 38.66 1xck s TYR 199 CO 0.06 -1.98 0.56 1.28 -1.52 0.00 0.00 175.55 173.95 1xck n LEU 200 N 1.62 0.06 0.00 -3.49 4.77 -0.05 -4.71 117.00 115.19 1xck n LEU 200 Ca 0.03 -0.03 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 1xck n LEU 200 Cb 0.42 -0.03 0.00 0.00 -2.33 0.00 0.00 43.42 41.48 1xck n LEU 200 CO 0.59 0.01 0.00 -0.24 -1.33 0.00 0.00 177.39 176.42 1xck n SER 201 N -0.43 0.00 -2.97 -1.43 2.88 -1.26 -5.07 113.62 105.33 1xck n SER 201 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1xck n SER 201 Cb 0.01 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.47 1xck n SER 201 CO 0.00 0.00 0.00 -2.65 -1.23 0.00 0.00 175.04 171.16 1xck n PRO 202 N -0.52 2.49 0.00 -1.46 -0.02 -1.26 -3.76 135.00 130.47 1xck n PRO 202 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.48 1xck n PRO 202 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.48 1xck n PRO 202 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 1xck n TYR 203 N 0.00 0.00 0.27 6.00 4.01 -1.26 -4.30 117.16 121.87 1xck n TYR 203 Ca 0.00 0.00 0.15 0.00 -0.16 0.00 0.00 57.90 57.89 1xck n TYR 203 Cb 0.00 0.00 0.72 0.00 -0.31 0.00 0.00 39.34 39.75 1xck n TYR 203 CO 0.00 0.00 0.00 0.74 -0.46 0.00 0.00 176.86 177.14 1xck h PHE 204 N 0.00 0.00 -2.54 -0.72 0.04 -1.90 -3.42 116.94 108.40 1xck h PHE 204 Ca 0.00 0.00 -0.54 0.00 2.80 0.00 0.00 57.97 60.23 1xck h PHE 204 Cb 0.00 0.00 0.01 0.00 2.20 0.00 0.00 35.95 38.16 1xck h PHE 204 CO 0.00 0.00 1.12 0.42 -0.60 0.00 0.00 178.31 179.25 1xck s ILE 205 N -3.64 3.11 -0.35 -0.55 1.01 -1.26 -4.65 121.20 114.87 1xck s ILE 205 Ca -0.01 0.33 0.04 0.00 0.00 0.00 0.00 60.65 61.01 1xck s ILE 205 Cb 0.09 -3.22 -0.01 0.00 0.01 0.00 0.00 42.46 39.34 1xck s ILE 205 CO 0.32 -0.02 0.38 -0.46 0.00 0.00 0.00 174.94 175.17 1xck n ASN 206 N 6.68 0.73 -3.42 3.58 0.23 -1.02 -4.72 115.26 117.32 1xck n ASN 206 Ca 0.18 -0.86 -0.27 0.00 -0.53 0.00 0.00 54.58 53.10 1xck n ASN 206 Cb 0.41 0.54 -0.08 0.00 -2.08 0.00 0.00 39.78 38.57 1xck n ASN 206 CO 0.00 0.00 0.00 0.29 -0.93 0.00 0.00 177.26 176.62 1xck n LYS 207 N -0.47 2.39 0.07 -3.83 4.76 -0.76 -4.94 118.16 115.37 1xck n LYS 207 Ca 0.02 -4.57 0.21 0.00 -2.87 0.00 0.00 58.31 51.09 1xck n LYS 207 Cb 0.08 -2.19 0.68 0.00 -1.84 0.00 0.00 35.03 31.77 1xck n LYS 207 CO 0.00 0.00 0.00 -1.00 -1.37 0.00 0.00 177.40 175.03 1xck h PRO 208 N 4.20 0.00 -0.02 1.97 0.13 -1.84 1.45 132.00 137.88 1xck h PRO 208 Ca 0.19 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.31 1xck h PRO 208 Cb 0.68 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.81 1xck h PRO 208 CO 0.81 0.00 -0.02 0.93 -0.23 0.00 0.00 178.00 179.49 1xck h GLU 209 N 0.00 0.05 0.00 0.86 3.07 -1.94 -3.03 114.58 113.59 1xck h GLU 209 Ca 0.22 -0.03 -0.02 0.00 -0.50 0.00 0.00 59.36 59.03 1xck h GLU 209 Cb 1.40 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 29.31 1xck h GLU 209 CO -0.00 0.52 -0.22 1.15 -1.40 0.00 0.00 179.01 179.06 1xck h THR 210 N -0.41 0.17 -1.29 1.13 2.02 -1.49 -3.47 112.91 109.56 1xck h THR 210 Ca 0.00 -1.24 -0.26 0.00 0.77 0.00 0.00 66.41 65.68 1xck h THR 210 Cb 0.51 2.03 -0.05 0.00 -1.74 0.00 0.00 68.15 68.90 1xck h THR 210 CO 0.01 0.10 -0.29 0.61 0.37 0.00 0.00 175.52 176.31 1xck n GLY 211 N 1.14 0.50 3.67 2.16 0.00 0.48 -4.99 105.19 108.15 1xck n GLY 211 Ca 0.03 -0.39 -0.30 0.00 0.00 0.00 0.00 46.02 45.37 1xck n GLY 211 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xck s ALA 212 N -2.57 3.52 -0.07 4.61 0.00 -0.98 -4.69 121.76 121.58 1xck s ALA 212 Ca 0.00 -1.48 -0.03 0.00 0.00 0.00 0.00 51.96 50.45 1xck s ALA 212 Cb 0.00 0.14 -0.04 0.00 0.00 0.00 0.00 23.12 23.23 1xck s ALA 212 CO 0.00 -0.09 0.09 0.08 0.00 0.00 0.00 175.76 175.84 1xck s VAL 213 N -2.81 4.93 -0.20 0.00 1.01 -0.30 -1.83 120.40 121.19 1xck s VAL 213 Ca 0.23 -0.13 -0.04 0.00 0.00 0.00 0.00 61.98 62.03 1xck s VAL 213 Cb 0.06 -3.17 0.08 0.00 0.00 0.00 0.00 36.38 33.35 1xck s VAL 213 CO 0.12 0.51 0.14 -0.70 0.00 0.00 0.00 175.10 175.17 1xck s GLU 214 N -1.27 0.13 -0.10 2.72 2.12 -1.26 -1.65 118.70 119.38 1xck s GLU 214 Ca 0.18 -0.08 0.01 0.00 0.36 0.00 0.00 54.97 55.44 1xck s GLU 214 Cb -0.12 -1.52 -0.02 0.00 0.26 0.00 0.00 34.13 32.74 1xck s GLU 214 CO 0.08 -0.74 -0.15 -0.51 -0.54 0.00 0.00 175.26 173.40 1xck s LEU 215 N 2.19 2.65 -0.12 2.70 1.43 -0.91 -4.97 118.68 121.65 1xck s LEU 215 Ca 0.05 -0.31 -0.04 0.00 -1.03 0.00 0.00 54.13 52.79 1xck s LEU 215 Cb -0.16 -1.57 -0.04 0.00 0.03 0.00 0.00 46.19 44.46 1xck s LEU 215 CO -0.15 0.22 0.03 -1.61 0.23 0.00 0.00 176.35 175.07 1xck s GLU 216 N 0.02 3.40 -1.64 1.70 2.02 -1.26 -1.79 118.70 121.15 1xck s GLU 216 Ca -0.05 -0.36 -0.14 0.00 0.02 0.00 0.00 54.97 54.44 1xck s GLU 216 Cb -0.14 -2.98 0.12 0.00 0.10 0.00 0.00 34.13 31.23 1xck s GLU 216 CO 0.04 0.54 0.69 0.43 0.02 0.00 0.00 175.26 176.99 1xck n SER 217 N 2.66 -2.60 -4.85 -0.19 7.64 0.10 -4.58 113.62 111.80 1xck n SER 217 Ca -0.18 -1.02 -0.30 0.00 1.01 0.00 0.00 58.87 58.38 1xck n SER 217 Cb 0.53 -2.77 0.08 0.00 -1.01 0.00 0.00 64.21 61.04 1xck n SER 217 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 1xck s PRO 218 N -6.88 2.14 -0.06 1.43 0.04 -1.14 -4.65 135.00 125.89 1xck s PRO 218 Ca 0.58 0.40 -0.07 0.00 0.04 0.00 0.00 61.00 61.95 1xck s PRO 218 Cb -0.31 -1.95 -0.04 0.00 0.04 0.00 0.00 34.50 32.24 1xck s PRO 218 CO 0.92 -1.53 0.20 -0.06 0.04 0.00 0.00 177.00 176.58 1xck s PHE 219 N -3.34 3.60 -0.17 0.56 0.08 -0.53 -3.28 117.98 114.89 1xck s PHE 219 Ca 0.61 0.55 -0.00 0.00 0.12 0.00 0.00 56.93 58.20 1xck s PHE 219 Cb -0.13 -1.96 0.00 0.00 -0.57 0.00 0.00 43.02 40.36 1xck s PHE 219 CO 0.52 0.68 -0.15 0.42 -0.10 0.00 0.00 175.22 176.60 1xck s ILE 220 N -1.15 2.66 -0.28 0.64 1.01 0.10 -0.38 121.20 123.79 1xck s ILE 220 Ca 0.21 -0.76 -0.14 0.00 0.00 0.00 0.00 60.65 59.95 1xck s ILE 220 Cb -0.13 -2.13 -0.04 0.00 0.01 0.00 0.00 42.46 40.17 1xck s ILE 220 CO 0.11 0.51 0.35 -0.22 0.00 0.00 0.00 174.94 175.68 1xck s LEU 221 N 0.97 4.06 -0.49 2.97 2.96 0.13 -0.04 118.68 129.24 1xck s LEU 221 Ca -0.02 0.21 -0.07 0.00 -0.22 0.00 0.00 54.13 54.03 1xck s LEU 221 Cb -0.15 -2.38 0.13 0.00 0.50 0.00 0.00 46.19 44.29 1xck s LEU 221 CO -0.03 -0.18 0.34 -0.76 -1.32 0.00 0.00 176.35 174.41 1xck s LEU 222 N 2.03 5.56 -0.22 -0.68 1.43 -1.26 -0.20 118.68 125.33 1xck s LEU 222 Ca 0.14 -2.13 0.00 0.00 -1.03 0.00 0.00 54.13 51.11 1xck s LEU 222 Cb -0.16 -1.94 0.03 0.00 0.03 0.00 0.00 46.19 44.15 1xck s LEU 222 CO 0.10 -0.60 -0.12 0.00 0.23 0.00 0.00 176.35 175.96 1xck s ALA 223 N 1.02 2.54 -1.13 4.21 0.00 -0.94 0.13 121.76 127.59 1xck s ALA 223 Ca 0.09 -1.41 -0.19 0.00 0.00 0.00 0.00 51.96 50.46 1xck s ALA 223 Cb -0.23 -1.47 0.10 0.00 0.00 0.00 0.00 23.12 21.51 1xck s ALA 223 CO -0.03 -0.68 1.47 0.34 0.00 0.00 0.00 175.76 176.86 1xck s ASP 224 N 1.28 6.76 0.00 0.00 2.15 -0.43 -3.03 116.67 123.39 1xck s ASP 224 Ca 0.01 -2.23 0.00 0.00 0.43 0.00 0.00 52.55 50.76 1xck s ASP 224 Cb -0.16 -2.50 0.00 0.00 -0.30 0.00 0.00 42.92 39.96 1xck s ASP 224 CO -0.08 -1.14 0.00 2.29 -0.17 0.00 0.00 175.17 176.07 1xck n LYS 225 N 7.52 0.00 -2.62 4.34 -0.00 -1.26 -3.87 118.16 122.26 1xck n LYS 225 Ca 0.37 0.00 -0.36 0.00 -0.00 0.00 0.00 58.31 58.32 1xck n LYS 225 Cb 0.47 0.00 -0.05 0.00 -0.00 0.00 0.00 35.03 35.45 1xck n LYS 225 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.40 177.55 1xck s LYS 226 N -2.13 4.24 -0.23 -1.58 1.02 -1.26 -2.69 119.74 117.11 1xck s LYS 226 Ca 0.00 1.43 0.02 0.00 0.02 0.00 0.00 55.97 57.44 1xck s LYS 226 Cb 0.00 -2.54 0.05 0.00 -0.52 0.00 0.00 37.83 34.82 1xck s LYS 226 CO 0.00 -0.06 -0.13 0.42 -0.92 0.00 0.00 175.35 174.67 1xck s ILE 227 N -1.72 2.05 -0.07 2.17 1.01 0.20 -4.93 121.20 119.91 1xck s ILE 227 Ca 0.57 -1.40 0.04 0.00 0.00 0.00 0.00 60.65 59.86 1xck s ILE 227 Cb -0.20 -2.10 -0.06 0.00 0.01 0.00 0.00 42.46 40.11 1xck s ILE 227 CO 0.25 0.11 0.12 -1.20 0.00 0.00 0.00 174.94 174.22 1xck n SER 228 N 4.51 2.69 -4.06 3.58 7.64 -1.26 0.51 113.62 127.23 1xck n SER 228 Ca -0.15 -0.21 -0.30 0.00 1.01 0.00 0.00 58.87 59.22 1xck n SER 228 Cb 0.44 1.13 -0.16 0.00 -1.01 0.00 0.00 64.21 64.61 1xck n SER 228 CO 0.00 0.00 0.00 0.20 -3.01 0.00 0.00 175.04 172.23 1xck s ASN 229 N -2.12 2.71 0.00 6.43 0.01 -1.26 -0.89 114.94 119.82 1xck s ASN 229 Ca -0.00 -0.50 0.00 0.00 -0.71 0.00 0.00 52.86 51.65 1xck s ASN 229 Cb 0.03 -1.21 0.00 0.00 0.41 0.00 0.00 41.25 40.47 1xck s ASN 229 CO 0.18 -0.02 0.40 0.00 -1.51 0.00 0.00 177.10 176.15 1xck n ILE 230 N 4.53 0.00 0.10 0.60 3.06 -1.26 -3.24 119.36 123.15 1xck n ILE 230 Ca -0.18 0.00 -0.17 0.00 -2.50 0.00 0.00 62.75 59.90 1xck n ILE 230 Cb 0.50 -0.36 -0.14 0.00 0.54 0.00 0.00 39.64 40.18 1xck n ILE 230 CO 0.00 0.00 0.00 -0.09 -2.50 0.00 0.00 176.55 173.96 1xck h ARG 231 N 0.24 0.30 0.00 9.51 2.43 -1.98 -3.15 114.38 121.72 1xck h ARG 231 Ca 0.00 -0.51 -0.03 0.00 -0.81 0.00 0.00 59.98 58.63 1xck h ARG 231 Cb 0.35 0.19 -0.00 0.00 -0.42 0.00 0.00 29.97 30.09 1xck h ARG 231 CO 0.00 1.23 -0.12 0.93 -1.51 0.00 0.00 179.97 180.50 1xck h GLU 232 N 0.08 0.00 -0.14 0.20 5.08 -1.94 -3.27 114.58 114.58 1xck h GLU 232 Ca -0.17 0.00 -0.22 0.00 -1.00 0.00 0.00 59.36 57.97 1xck h GLU 232 Cb 2.00 0.00 0.01 0.00 0.50 0.00 0.00 28.75 31.26 1xck h GLU 232 CO 0.20 0.12 -0.76 0.52 -1.00 0.00 0.00 179.01 178.09 1xck h MET 233 N 0.00 0.76 -0.40 2.33 2.86 -1.75 -3.26 114.93 115.47 1xck h MET 233 Ca -0.00 -0.63 0.04 0.00 -2.06 0.00 0.00 59.70 57.04 1xck h MET 233 Cb 0.87 0.14 -0.05 0.00 0.06 0.00 0.00 31.60 32.62 1xck h MET 233 CO 0.02 1.24 -0.23 1.28 1.06 0.00 0.00 176.91 180.27 1xck n LEU 234 N -3.97 -0.42 -0.32 1.22 4.77 -1.19 0.11 117.00 117.20 1xck n LEU 234 Ca -0.08 1.09 0.26 0.00 -0.03 0.00 0.00 56.01 57.26 1xck n LEU 234 Cb 0.74 -0.28 0.58 0.00 -2.33 0.00 0.00 43.42 42.13 1xck n LEU 234 CO 0.52 -0.77 1.25 1.55 -1.33 0.00 0.00 177.39 178.61 1xck h PRO 235 N 0.00 0.26 0.03 3.23 0.13 -1.82 0.61 132.00 134.43 1xck h PRO 235 Ca 0.06 -0.02 -0.31 0.00 -0.87 0.00 0.00 66.00 64.87 1xck h PRO 235 Cb 0.16 -0.06 -0.04 0.00 0.13 0.00 0.00 31.00 31.19 1xck h PRO 235 CO -0.37 0.17 -1.81 0.28 -0.23 0.00 0.00 178.00 176.04 1xck n VAL 236 N -4.50 1.63 0.19 1.56 0.31 0.20 -3.27 118.33 114.45 1xck n VAL 236 Ca 0.25 -0.77 0.03 0.00 -0.01 0.00 0.00 64.34 63.84 1xck n VAL 236 Cb 0.98 -1.16 0.36 0.00 -0.91 0.00 0.00 33.84 33.11 1xck n VAL 236 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 1xck h LEU 237 N 0.01 0.00 0.24 7.52 3.38 0.24 -2.51 115.31 124.19 1xck h LEU 237 Ca -0.33 0.00 -0.33 0.00 0.09 0.00 0.00 57.88 57.31 1xck h LEU 237 Cb 2.03 0.00 0.03 0.00 0.09 0.00 0.00 40.66 42.81 1xck h LEU 237 CO 0.08 0.38 -1.48 -0.33 0.09 0.00 0.00 178.44 177.17 1xck h GLU 238 N 0.00 0.50 0.00 1.13 5.08 -1.10 -1.93 114.58 118.26 1xck h GLU 238 Ca -0.00 -0.86 -0.00 0.00 -1.00 0.00 0.00 59.36 57.49 1xck h GLU 238 Cb 0.67 0.32 -0.00 0.00 0.50 0.00 0.00 28.75 30.24 1xck h GLU 238 CO 0.05 1.41 -0.01 0.00 -1.00 0.00 0.00 179.01 179.46 1xck h ALA 239 N 0.20 1.34 0.00 3.43 0.00 -1.50 0.46 119.26 123.19 1xck h ALA 239 Ca -0.25 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.65 1xck h ALA 239 Cb 2.15 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.94 1xck h ALA 239 CO 0.26 0.01 -1.18 0.28 0.00 0.00 0.00 179.25 178.63 1xck n VAL 240 N -3.59 0.51 0.12 0.00 0.31 -0.96 -3.59 118.33 111.13 1xck n VAL 240 Ca -0.03 -0.53 -0.02 0.00 -0.01 0.00 0.00 64.34 63.74 1xck n VAL 240 Cb 0.09 -0.27 0.16 0.00 -0.91 0.00 0.00 33.84 32.91 1xck n VAL 240 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1xck h ALA 241 N 2.01 0.95 -2.12 3.52 0.00 -0.12 -3.18 119.26 120.32 1xck h ALA 241 Ca 0.00 -0.55 -0.45 0.00 0.00 0.00 0.00 54.91 53.91 1xck h ALA 241 Cb 0.99 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.68 1xck h ALA 241 CO 0.00 0.75 0.32 0.15 0.00 0.00 0.00 179.25 180.47 1xck s LYS 242 N -3.68 4.13 0.00 0.00 1.02 -0.67 -2.90 119.74 117.64 1xck s LYS 242 Ca -0.02 1.02 0.00 0.00 0.02 0.00 0.00 55.97 56.99 1xck s LYS 242 Cb 0.12 -2.19 0.00 0.00 -0.52 0.00 0.00 37.83 35.24 1xck s LYS 242 CO 0.77 -0.08 0.00 0.00 -0.92 0.00 0.00 175.35 175.12 1xck n ALA 243 N -0.89 0.00 -4.09 5.17 0.00 -1.26 -4.24 120.51 115.20 1xck n ALA 243 Ca 0.06 0.00 -0.32 0.00 0.00 0.00 0.00 53.44 53.19 1xck n ALA 243 Cb 0.54 -0.16 -0.06 0.00 0.00 0.00 0.00 19.45 19.77 1xck n ALA 243 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1xck n GLY 244 N -2.00 -0.29 3.45 0.00 0.00 -1.14 -4.96 105.19 100.25 1xck n GLY 244 Ca 0.00 0.20 -0.28 0.00 0.00 0.00 0.00 46.02 45.94 1xck n GLY 244 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1xck s LYS 245 N -6.99 1.64 0.95 1.61 1.02 -1.20 -5.09 119.74 111.67 1xck s LYS 245 Ca 0.13 -1.40 -0.13 0.00 0.02 0.00 0.00 55.97 54.59 1xck s LYS 245 Cb -0.07 -1.95 0.16 0.00 -0.52 0.00 0.00 37.83 35.45 1xck s LYS 245 CO 0.88 0.43 1.13 -1.25 -0.92 0.00 0.00 175.35 175.62 1xck s PRO 246 N -2.52 0.84 -0.02 -1.68 0.04 -1.26 -4.71 135.00 125.67 1xck s PRO 246 Ca 0.20 0.30 -0.01 0.00 0.04 0.00 0.00 61.00 61.53 1xck s PRO 246 Cb -0.09 -1.80 0.03 0.00 0.04 0.00 0.00 34.50 32.68 1xck s PRO 246 CO 0.10 -2.41 0.05 -1.17 0.04 0.00 0.00 177.00 173.61 1xck s LEU 247 N -6.17 1.18 -0.19 -3.56 2.96 0.32 -1.45 118.68 111.76 1xck s LEU 247 Ca 0.65 0.08 -0.06 0.00 -0.22 0.00 0.00 54.13 54.58 1xck s LEU 247 Cb -0.15 0.02 -0.03 0.00 0.50 0.00 0.00 46.19 46.53 1xck s LEU 247 CO 0.54 -0.11 0.03 -0.22 -1.32 0.00 0.00 176.35 175.28 1xck s LEU 248 N 0.89 3.55 -0.37 -0.68 2.96 0.48 -1.40 118.68 124.11 1xck s LEU 248 Ca -0.07 -0.05 -0.11 0.00 -0.22 0.00 0.00 54.13 53.67 1xck s LEU 248 Cb -0.10 -1.90 0.03 0.00 0.50 0.00 0.00 46.19 44.72 1xck s LEU 248 CO -0.03 0.12 0.21 -0.63 -1.32 0.00 0.00 176.35 174.70 1xck s ILE 249 N 0.66 4.59 -0.63 6.68 -1.09 0.14 0.22 121.20 131.76 1xck s ILE 249 Ca 0.01 -0.84 -0.02 0.00 -2.23 0.00 0.00 60.65 57.58 1xck s ILE 249 Cb -0.14 -3.55 0.16 0.00 -1.58 0.00 0.00 42.46 37.35 1xck s ILE 249 CO 0.02 -0.22 0.44 -0.63 -1.23 0.00 0.00 174.94 173.31 1xck s ILE 250 N 1.56 3.62 0.44 2.92 1.01 0.72 -0.91 121.20 130.55 1xck s ILE 250 Ca 0.02 -3.07 0.04 0.00 0.00 0.00 0.00 60.65 57.63 1xck s ILE 250 Cb -0.19 -3.36 -0.04 0.00 0.01 0.00 0.00 42.46 38.88 1xck s ILE 250 CO 0.07 -0.88 0.04 0.00 0.00 0.00 0.00 174.94 174.16 1xck s ALA 251 N -0.19 3.39 0.28 9.38 0.00 -1.15 -2.21 121.76 131.26 1xck s ALA 251 Ca 0.18 -1.29 0.02 0.00 0.00 0.00 0.00 51.96 50.87 1xck s ALA 251 Cb -0.20 0.29 0.59 0.00 0.00 0.00 0.00 23.12 23.80 1xck s ALA 251 CO -0.03 -0.15 1.82 1.49 0.00 0.00 0.00 175.76 178.89 1xck h GLU 252 N 1.65 0.89 -1.32 0.00 4.81 -1.42 0.13 114.58 119.33 1xck h GLU 252 Ca -0.42 -0.05 0.25 0.00 -0.13 0.00 0.00 59.36 59.01 1xck h GLU 252 Cb 1.28 -0.20 -0.21 0.00 0.63 0.00 0.00 28.75 30.24 1xck h GLU 252 CO 0.72 0.59 0.85 0.34 -0.73 0.00 0.00 179.01 180.78 1xck s ASP 253 N -5.61 -0.11 -0.19 1.04 2.15 -1.26 -4.29 116.67 108.40 1xck s ASP 253 Ca -0.12 0.04 -0.00 0.00 0.43 0.00 0.00 52.55 52.90 1xck s ASP 253 Cb 0.23 0.11 0.05 0.00 -0.30 0.00 0.00 42.92 43.00 1xck s ASP 253 CO 0.80 -0.16 -0.06 -0.69 -0.17 0.00 0.00 175.17 174.90 1xck s VAL 254 N -1.93 1.24 0.20 1.11 1.01 -1.26 0.61 120.40 121.38 1xck s VAL 254 Ca 0.09 -0.80 0.07 0.00 0.00 0.00 0.00 61.98 61.34 1xck s VAL 254 Cb -0.01 -1.44 -0.04 0.00 0.00 0.00 0.00 36.38 34.89 1xck s VAL 254 CO -0.04 0.07 0.05 -1.61 0.00 0.00 0.00 175.10 173.56 1xck s GLU 255 N 1.56 2.54 0.00 2.72 2.02 0.18 -4.64 118.70 123.08 1xck s GLU 255 Ca -0.01 -1.11 0.00 0.00 0.02 0.00 0.00 54.97 53.87 1xck s GLU 255 Cb -0.16 -2.40 0.00 0.00 0.10 0.00 0.00 34.13 31.67 1xck s GLU 255 CO -0.08 0.44 0.00 0.41 0.02 0.00 0.00 175.26 176.05 1xck n GLY 256 N -0.42 0.00 0.26 -1.39 0.00 -1.26 -2.09 105.19 100.29 1xck n GLY 256 Ca -0.09 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.87 1xck n GLY 256 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1xck n GLU 257 N 0.00 -0.27 -0.04 1.61 0.00 -1.19 0.10 120.64 120.85 1xck n GLU 257 Ca 0.00 1.31 -0.11 0.00 0.00 0.00 0.00 57.16 58.36 1xck n GLU 257 Cb 0.00 -1.94 -0.05 0.00 0.00 0.00 0.00 31.44 29.45 1xck n GLU 257 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1xck h ALA 258 N -0.07 0.21 -0.28 4.31 0.00 -0.45 -2.23 119.26 120.76 1xck h ALA 258 Ca 0.10 -0.09 0.01 0.00 0.00 0.00 0.00 54.91 54.93 1xck h ALA 258 Cb 0.25 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 1xck h ALA 258 CO -0.58 -0.22 0.16 1.25 0.00 0.00 0.00 179.25 179.87 1xck h LEU 259 N 0.13 0.26 -0.82 0.00 5.85 -1.05 -1.33 115.31 118.35 1xck h LEU 259 Ca 0.06 0.00 -0.04 0.00 0.84 0.00 0.00 57.88 58.74 1xck h LEU 259 Cb 0.14 -0.05 -0.04 0.00 0.37 0.00 0.00 40.66 41.08 1xck h LEU 259 CO -0.01 0.19 0.36 0.00 -0.34 0.00 0.00 178.44 178.64 1xck h ALA 260 N 1.12 1.06 -0.57 1.25 0.00 0.67 -0.47 119.26 122.32 1xck h ALA 260 Ca 0.11 -0.18 -0.06 0.00 0.00 0.00 0.00 54.91 54.78 1xck h ALA 260 Cb -0.00 -0.32 -0.03 0.00 0.00 0.00 0.00 17.79 17.44 1xck h ALA 260 CO -0.05 0.66 0.12 1.15 0.00 0.00 0.00 179.25 181.12 1xck h THR 261 N 1.18 1.24 -0.08 0.00 2.02 -1.11 -2.05 112.91 114.10 1xck h THR 261 Ca 0.28 -0.89 -0.05 0.00 0.77 0.00 0.00 66.41 66.52 1xck h THR 261 Cb 0.17 0.68 -0.00 0.00 -1.74 0.00 0.00 68.15 67.26 1xck h THR 261 CO -0.03 0.33 -0.14 -0.07 0.37 0.00 0.00 175.52 175.98 1xck h LEU 262 N 0.85 0.26 -2.13 2.58 3.38 -0.95 -1.34 115.31 117.96 1xck h LEU 262 Ca 0.18 -0.55 0.07 0.00 0.09 0.00 0.00 57.88 57.68 1xck h LEU 262 Cb 0.34 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.01 1xck h LEU 262 CO 0.00 0.76 0.24 0.58 0.09 0.00 0.00 178.44 180.11 1xck h VAL 263 N -0.23 0.58 0.00 1.22 2.07 -0.92 -2.19 116.25 116.77 1xck h VAL 263 Ca 0.01 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.53 1xck h VAL 263 Cb 0.71 0.82 0.00 0.00 -1.52 0.00 0.00 31.29 31.30 1xck h VAL 263 CO 0.03 0.00 -0.06 0.58 0.02 0.00 0.00 177.57 178.14 1xck h VAL 264 N 0.00 0.00 -0.94 2.57 2.07 -1.26 -3.20 116.25 115.50 1xck h VAL 264 Ca 0.12 -0.24 0.29 0.00 0.82 0.00 0.00 66.70 67.69 1xck h VAL 264 Cb 0.60 0.00 -0.16 0.00 -1.52 0.00 0.00 31.29 30.21 1xck h VAL 264 CO -0.00 0.00 0.31 0.78 0.02 0.00 0.00 177.57 178.68 1xck h ASN 265 N -0.24 0.06 0.27 0.57 -0.26 -1.21 0.25 115.58 115.03 1xck h ASN 265 Ca 0.00 0.22 -0.19 0.00 -0.56 0.00 0.00 56.30 55.77 1xck h ASN 265 Cb 0.06 0.28 -0.00 0.00 -1.06 0.00 0.00 38.32 37.60 1xck h ASN 265 CO 0.00 -0.23 -0.75 0.71 -1.06 0.00 0.00 177.43 176.10 1xck h THR 266 N 0.16 1.38 0.00 2.81 1.35 -1.48 0.92 112.91 118.06 1xck h THR 266 Ca 0.64 -2.18 0.00 0.00 -0.55 0.00 0.00 66.41 64.32 1xck h THR 266 Cb 1.42 2.15 0.00 0.00 -1.73 0.00 0.00 68.15 69.99 1xck h THR 266 CO -0.71 0.65 0.00 0.80 -0.25 0.00 0.00 175.52 176.01 1xck n MET 267 N -3.82 0.75 -0.01 4.72 0.00 0.77 -1.73 117.12 117.80 1xck n MET 267 Ca -0.04 0.00 0.00 0.00 -0.00 0.00 0.00 57.70 57.66 1xck n MET 267 Cb 0.72 -1.41 0.01 0.00 0.00 0.00 0.00 33.22 32.54 1xck n MET 267 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 175.97 176.51 1xck n ARG 268 N -0.91 1.32 -0.88 2.12 1.74 -0.62 -4.98 116.66 114.45 1xck n ARG 268 Ca 0.15 -1.11 0.00 0.00 -0.77 0.00 0.00 57.85 56.11 1xck n ARG 268 Cb 0.07 -1.02 0.00 0.00 -1.02 0.00 0.00 32.46 30.49 1xck n ARG 268 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1xck n GLY 269 N -0.22 0.99 2.49 -0.13 0.00 -0.70 -4.91 105.19 102.70 1xck n GLY 269 Ca 0.01 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 1xck n GLY 269 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1xck n ILE 270 N -2.00 3.95 -0.26 -0.61 5.41 0.30 -4.67 119.36 121.48 1xck n ILE 270 Ca 0.00 -2.76 0.00 0.00 1.00 0.00 0.00 62.75 60.99 1xck n ILE 270 Cb 0.00 -2.61 0.00 0.00 -0.71 0.00 0.00 39.64 36.32 1xck n ILE 270 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 176.55 177.07 1xck n VAL 271 N 4.22 -1.28 -2.55 1.39 0.31 -1.26 -4.35 118.33 114.82 1xck n VAL 271 Ca 0.68 0.00 -0.43 0.00 -0.01 0.00 0.00 64.34 64.58 1xck n VAL 271 Cb 0.30 -1.28 -0.02 0.00 -0.91 0.00 0.00 33.84 31.93 1xck n VAL 271 CO 0.00 0.00 0.00 -0.54 -1.32 0.00 0.00 176.83 174.97 1xck s LYS 272 N -3.38 4.24 0.05 5.55 3.01 -1.26 -3.74 119.74 124.20 1xck s LYS 272 Ca 0.00 1.49 0.02 0.00 -1.01 0.00 0.00 55.97 56.46 1xck s LYS 272 Cb 0.00 -3.70 -0.03 0.00 -1.01 0.00 0.00 37.83 33.09 1xck s LYS 272 CO 0.00 -0.68 -0.06 0.08 0.51 0.00 0.00 175.35 175.19 1xck s VAL 273 N 3.37 0.49 -0.12 3.17 1.01 -1.26 -0.53 120.40 126.53 1xck s VAL 273 Ca 0.49 -1.33 -0.11 0.00 0.00 0.00 0.00 61.98 61.03 1xck s VAL 273 Cb -0.18 -0.90 0.03 0.00 0.00 0.00 0.00 36.38 35.33 1xck s VAL 273 CO 0.10 -0.57 0.33 0.00 0.00 0.00 0.00 175.10 174.97 1xck s ALA 274 N -2.15 -0.82 0.07 5.51 0.00 -0.49 -4.87 121.76 119.01 1xck s ALA 274 Ca -0.04 0.95 0.08 0.00 0.00 0.00 0.00 51.96 52.94 1xck s ALA 274 Cb -0.05 -0.55 -0.03 0.00 0.00 0.00 0.00 23.12 22.49 1xck s ALA 274 CO -0.02 -0.16 -0.20 0.00 0.00 0.00 0.00 175.76 175.38 1xck s ALA 275 N 0.23 1.74 -0.02 0.00 0.00 -1.26 0.24 121.76 122.69 1xck s ALA 275 Ca -0.00 -1.13 -0.17 0.00 0.00 0.00 0.00 51.96 50.66 1xck s ALA 275 Cb -0.03 -0.29 0.03 0.00 0.00 0.00 0.00 23.12 22.83 1xck s ALA 275 CO -0.00 0.37 0.35 0.14 0.00 0.00 0.00 175.76 176.62 1xck s VAL 276 N -0.96 0.05 0.54 0.00 -7.23 -0.09 -0.87 120.40 111.84 1xck s VAL 276 Ca 0.07 -0.41 -0.19 0.00 -1.81 0.00 0.00 61.98 59.64 1xck s VAL 276 Cb -0.09 -0.65 -0.06 0.00 0.56 0.00 0.00 36.38 36.13 1xck s VAL 276 CO 0.03 -0.22 1.09 -0.54 -0.31 0.00 0.00 175.10 175.15 1xck s LYS 277 N -1.27 3.44 0.51 4.82 1.02 -1.26 -2.95 119.74 124.04 1xck s LYS 277 Ca -0.13 1.48 -0.22 0.00 0.02 0.00 0.00 55.97 57.12 1xck s LYS 277 Cb -0.05 -2.03 -0.06 0.00 -0.52 0.00 0.00 37.83 35.17 1xck s LYS 277 CO 0.05 -0.75 1.21 0.00 -0.92 0.00 0.00 175.35 174.94 1xck s ALA 278 N -1.95 2.85 0.45 5.17 0.00 0.46 -4.81 121.76 123.93 1xck s ALA 278 Ca 0.70 1.03 -0.25 0.00 0.00 0.00 0.00 51.96 53.44 1xck s ALA 278 Cb -0.21 -3.43 -0.08 0.00 0.00 0.00 0.00 23.12 19.40 1xck s ALA 278 CO 0.27 -0.91 1.37 -1.25 0.00 0.00 0.00 175.76 175.24 1xck s PRO 279 N -2.89 3.68 1.90 0.00 0.04 -1.26 -4.82 135.00 131.65 1xck s PRO 279 Ca 0.68 2.29 0.00 0.00 0.04 0.00 0.00 61.00 64.01 1xck s PRO 279 Cb -0.31 -2.61 0.00 0.00 0.04 0.00 0.00 34.50 31.62 1xck s PRO 279 CO 0.37 -0.78 0.00 0.41 0.04 0.00 0.00 177.00 177.04 1xck n GLY 280 N 0.62 -0.98 3.25 0.56 0.00 -1.26 -4.37 105.19 103.01 1xck n GLY 280 Ca 0.06 -1.12 -0.11 0.00 0.00 0.00 0.00 46.02 44.85 1xck n GLY 280 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1xck s PHE 281 N 0.00 0.94 0.00 1.61 -0.71 -1.26 -4.77 117.98 113.79 1xck s PHE 281 Ca 0.00 -1.22 0.00 0.00 -1.04 0.00 0.00 56.93 54.67 1xck s PHE 281 Cb 0.00 -0.41 0.00 0.00 -1.21 0.00 0.00 43.02 41.40 1xck s PHE 281 CO 0.00 -0.67 0.00 0.41 -1.34 0.00 0.00 175.22 173.62 1xck n GLY 282 N -0.25 3.08 0.15 1.99 0.00 -1.26 -2.63 105.19 106.27 1xck n GLY 282 Ca -0.01 -0.29 -0.13 0.00 0.00 0.00 0.00 46.02 45.60 1xck n GLY 282 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1xck h ASP 283 N 5.63 -0.23 -0.05 1.61 3.32 -2.01 -2.90 116.42 121.80 1xck h ASP 283 Ca 0.00 -0.25 0.01 0.00 0.02 0.00 0.00 57.03 56.82 1xck h ASP 283 Cb 0.00 0.06 -0.00 0.00 0.22 0.00 0.00 39.33 39.61 1xck h ASP 283 CO 0.00 0.15 0.24 0.08 -1.72 0.00 0.00 179.24 177.98 1xck h ARG 284 N -0.64 0.00 -0.29 3.56 0.11 -1.97 0.25 114.38 115.39 1xck h ARG 284 Ca -0.03 0.00 -0.16 0.00 0.10 0.00 0.00 59.98 59.89 1xck h ARG 284 Cb 0.46 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 31.54 1xck h ARG 284 CO 0.05 0.00 -0.44 -0.09 0.10 0.00 0.00 179.97 179.59 1xck h ARG 285 N 0.00 0.82 -0.26 0.08 2.43 -1.29 -1.89 114.38 114.26 1xck h ARG 285 Ca 0.02 -0.48 -0.07 0.00 -0.81 0.00 0.00 59.98 58.64 1xck h ARG 285 Cb 0.50 0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 30.08 1xck h ARG 285 CO -0.00 1.12 -0.12 0.87 -1.51 0.00 0.00 179.97 180.33 1xck h LYS 286 N 0.58 0.54 -0.44 0.20 1.57 -0.51 -1.74 116.57 116.78 1xck h LYS 286 Ca 0.03 -0.23 0.05 0.00 -1.87 0.00 0.00 60.65 58.63 1xck h LYS 286 Cb 1.04 -0.02 -0.05 0.00 0.08 0.00 0.00 32.23 33.28 1xck h LYS 286 CO 0.10 0.79 0.17 0.00 -0.57 0.00 0.00 179.45 179.94 1xck h ALA 287 N 0.74 0.53 -0.30 3.86 0.00 -1.34 -2.00 119.26 120.75 1xck h ALA 287 Ca 0.06 0.04 -0.07 0.00 0.00 0.00 0.00 54.91 54.95 1xck h ALA 287 Cb 0.62 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.40 1xck h ALA 287 CO 0.04 -0.21 -0.10 0.52 0.00 0.00 0.00 179.25 179.50 1xck h MET 288 N 0.35 0.49 -0.25 0.00 2.86 -1.25 -1.60 114.93 115.53 1xck h MET 288 Ca 0.20 -0.13 -0.03 0.00 -2.06 0.00 0.00 59.70 57.68 1xck h MET 288 Cb 0.17 -0.06 -0.01 0.00 0.06 0.00 0.00 31.60 31.76 1xck h MET 288 CO -0.19 0.59 0.02 -0.07 1.06 0.00 0.00 176.91 178.33 1xck h LEU 289 N 0.46 0.34 -0.12 1.22 3.38 -0.61 -1.13 115.31 118.85 1xck h LEU 289 Ca 0.09 -0.04 -0.05 0.00 0.09 0.00 0.00 57.88 57.97 1xck h LEU 289 Cb 0.45 -0.09 -0.00 0.00 0.09 0.00 0.00 40.66 41.11 1xck h LEU 289 CO 0.02 0.38 -0.11 -0.61 0.09 0.00 0.00 178.44 178.21 1xck h GLN 290 N 0.36 0.29 -0.70 1.13 5.75 -0.82 -1.74 115.11 119.38 1xck h GLN 290 Ca 0.09 -0.15 0.15 0.00 -0.15 0.00 0.00 58.65 58.58 1xck h GLN 290 Cb 0.21 0.00 -0.11 0.00 1.07 0.00 0.00 27.48 28.65 1xck h GLN 290 CO 0.00 0.69 0.13 -0.44 -2.65 0.00 0.00 178.83 176.56 1xck h ASP 291 N -0.09 -0.06 -0.63 -0.69 5.19 -0.45 0.17 116.42 119.86 1xck h ASP 291 Ca 0.02 0.15 -0.03 0.00 -0.62 0.00 0.00 57.03 56.55 1xck h ASP 291 Cb 0.63 0.21 -0.03 0.00 0.18 0.00 0.00 39.33 40.32 1xck h ASP 291 CO 0.03 -0.05 0.29 0.40 -3.12 0.00 0.00 179.24 176.78 1xck h ILE 292 N 0.23 1.22 0.46 0.35 2.04 -1.12 -1.34 117.51 119.36 1xck h ILE 292 Ca 0.39 -0.65 -0.01 0.00 1.00 0.00 0.00 64.86 65.58 1xck h ILE 292 Cb 0.65 0.48 -0.02 0.00 -0.74 0.00 0.00 36.82 37.20 1xck h ILE 292 CO -0.51 0.26 -0.37 0.00 0.00 0.00 0.00 178.15 177.54 1xck h ALA 293 N 1.12 -0.85 -0.47 1.87 0.00 0.15 0.11 119.26 121.19 1xck h ALA 293 Ca 0.22 -0.15 0.09 0.00 0.00 0.00 0.00 54.91 55.07 1xck h ALA 293 Cb 0.15 0.50 -0.08 0.00 0.00 0.00 0.00 17.79 18.35 1xck h ALA 293 CO -0.02 -1.01 -0.06 1.15 0.00 0.00 0.00 179.25 179.31 1xck h THR 294 N -0.82 0.58 -0.24 0.00 2.02 -0.77 0.60 112.91 114.28 1xck h THR 294 Ca -0.05 -0.02 0.02 0.00 0.77 0.00 0.00 66.41 67.14 1xck h THR 294 Cb 0.71 0.52 -0.02 0.00 -1.74 0.00 0.00 68.15 67.61 1xck h THR 294 CO -0.01 0.01 0.08 0.25 0.37 0.00 0.00 175.52 176.23 1xck h LEU 295 N 0.06 0.10 -1.00 2.58 7.12 -0.95 -2.83 115.31 120.37 1xck h LEU 295 Ca 0.23 0.02 0.00 0.00 0.13 0.00 0.00 57.88 58.27 1xck h LEU 295 Cb 0.36 0.01 0.00 0.00 -0.53 0.00 0.00 40.66 40.50 1xck h LEU 295 CO -0.44 0.09 0.00 0.35 -0.13 0.00 0.00 178.44 178.31 1xck n THR 296 N -5.03 0.13 -3.34 1.05 -2.24 0.35 -0.57 114.28 104.63 1xck n THR 296 Ca -0.02 -0.30 -0.16 0.00 -2.27 0.00 0.00 64.05 61.30 1xck n THR 296 Cb 0.08 0.38 0.08 0.00 -2.10 0.00 0.00 70.33 68.78 1xck n THR 296 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1xck n GLY 297 N 1.13 -0.31 1.46 3.38 0.00 0.20 -0.16 105.19 110.90 1xck n GLY 297 Ca 0.17 0.07 -0.12 0.00 0.00 0.00 0.00 46.02 46.14 1xck n GLY 297 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xck n GLY 298 N -1.17 3.81 3.17 -0.02 0.00 -0.54 -4.48 105.19 105.95 1xck n GLY 298 Ca -0.25 -2.10 -0.29 0.00 0.00 0.00 0.00 46.02 43.38 1xck n GLY 298 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1xck s THR 299 N -2.04 1.72 -0.12 2.61 2.01 0.31 -4.55 115.64 115.59 1xck s THR 299 Ca 0.06 -0.85 -0.28 0.00 0.31 0.00 0.00 61.69 60.92 1xck s THR 299 Cb 0.00 -1.49 -0.01 0.00 0.01 0.00 0.00 72.50 71.01 1xck s THR 299 CO 0.04 0.49 0.95 -0.69 -0.69 0.00 0.00 174.62 174.71 1xck s VAL 300 N 0.19 4.82 -0.72 3.82 1.01 -1.26 -4.50 120.40 123.76 1xck s VAL 300 Ca -0.10 1.91 -0.18 0.00 0.00 0.00 0.00 61.98 63.60 1xck s VAL 300 Cb -0.15 -4.26 0.13 0.00 0.00 0.00 0.00 36.38 32.10 1xck s VAL 300 CO 0.05 0.03 0.84 -0.63 0.00 0.00 0.00 175.10 175.39 1xck s ILE 301 N 1.95 4.88 -0.13 2.22 1.01 0.12 -4.95 121.20 126.31 1xck s ILE 301 Ca 0.45 -1.32 -0.04 0.00 0.00 0.00 0.00 60.65 59.74 1xck s ILE 301 Cb -0.18 -4.58 -0.03 0.00 0.01 0.00 0.00 42.46 37.68 1xck s ILE 301 CO 0.17 -1.24 0.02 -0.94 0.00 0.00 0.00 174.94 172.95 1xck s SER 302 N 3.40 5.29 0.47 3.58 1.04 -1.26 -1.32 113.70 124.90 1xck s SER 302 Ca 0.19 0.08 0.18 0.00 0.48 0.00 0.00 55.95 56.88 1xck s SER 302 Cb -0.16 -1.71 1.14 0.00 0.10 0.00 0.00 66.02 65.38 1xck s SER 302 CO 0.00 0.28 2.02 -0.33 0.98 0.00 0.00 173.24 176.19 1xck h GLU 303 N 5.92 0.00 0.09 4.02 5.08 -1.77 -2.54 114.58 125.39 1xck h GLU 303 Ca -0.43 0.00 0.01 0.00 -1.00 0.00 0.00 59.36 57.94 1xck h GLU 303 Cb 1.19 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.41 1xck h GLU 303 CO 0.61 0.16 -0.31 0.93 -1.00 0.00 0.00 179.01 179.40 1xck h GLU 304 N 0.00 -0.44 0.00 2.33 5.08 -1.91 0.23 114.58 119.88 1xck h GLU 304 Ca -0.00 0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.39 1xck h GLU 304 Cb 0.31 0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.66 1xck h GLU 304 CO 0.02 -0.29 0.00 -0.89 -1.00 0.00 0.00 179.01 176.85 1xck n ILE 305 N -4.19 0.99 -1.95 3.13 5.41 -1.18 -4.80 119.36 116.78 1xck n ILE 305 Ca -0.05 0.25 0.00 0.00 1.00 0.00 0.00 62.75 63.95 1xck n ILE 305 Cb 0.24 -1.19 0.00 0.00 -0.71 0.00 0.00 39.64 37.98 1xck n ILE 305 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1xck n GLY 306 N -0.99 0.53 3.82 7.39 0.00 0.83 -5.09 105.19 111.68 1xck n GLY 306 Ca 0.02 -0.48 -0.22 0.00 0.00 0.00 0.00 46.02 45.33 1xck n GLY 306 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1xck s MET 307 N -3.84 2.92 -0.01 1.61 -1.94 -0.96 -5.01 119.30 112.07 1xck s MET 307 Ca 0.00 -1.03 0.03 0.00 -1.71 0.00 0.00 55.69 52.97 1xck s MET 307 Cb 0.00 -2.57 -0.01 0.00 2.01 0.00 0.00 34.83 34.26 1xck s MET 307 CO 0.00 0.41 -0.09 -1.21 -0.01 0.00 0.00 175.02 174.12 1xck s GLU 308 N -3.75 0.75 0.55 2.03 2.02 -1.26 -4.42 118.70 114.62 1xck s GLU 308 Ca 0.33 -0.35 0.33 0.00 0.02 0.00 0.00 54.97 55.30 1xck s GLU 308 Cb -0.08 -0.72 1.55 0.00 0.10 0.00 0.00 34.13 34.98 1xck s GLU 308 CO 0.25 0.20 2.07 -0.07 0.02 0.00 0.00 175.26 177.72 1xck h LEU 309 N 5.87 0.00 -0.50 1.80 3.38 -1.95 -1.70 115.31 122.21 1xck h LEU 309 Ca -0.31 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.63 1xck h LEU 309 Cb 1.18 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.92 1xck h LEU 309 CO 0.49 0.06 -0.13 -0.33 0.09 0.00 0.00 178.44 178.63 1xck h GLU 310 N 0.00 0.00 -0.55 1.13 3.07 -1.94 -3.00 114.58 113.29 1xck h GLU 310 Ca -0.00 0.00 -0.05 0.00 -0.50 0.00 0.00 59.36 58.81 1xck h GLU 310 Cb 0.39 0.00 -0.03 0.00 -0.84 0.00 0.00 28.75 28.27 1xck h GLU 310 CO 0.01 0.13 0.06 1.63 -1.40 0.00 0.00 179.01 179.44 1xck n LYS 311 N -3.17 4.25 -3.63 2.33 5.02 -0.65 -4.82 118.16 117.50 1xck n LYS 311 Ca 0.02 -3.10 -0.37 0.00 -2.02 0.00 0.00 58.31 52.84 1xck n LYS 311 Cb 0.50 -2.18 -0.10 0.00 -0.02 0.00 0.00 35.03 33.23 1xck n LYS 311 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1xck s ALA 312 N -2.85 3.58 0.50 7.82 0.00 -1.13 -4.93 121.76 124.76 1xck s ALA 312 Ca 0.53 -0.96 0.09 0.00 0.00 0.00 0.00 51.96 51.61 1xck s ALA 312 Cb 0.41 -2.38 0.05 0.00 0.00 0.00 0.00 23.12 21.19 1xck s ALA 312 CO 0.14 -0.33 0.66 0.95 0.00 0.00 0.00 175.76 177.18 1xck s THR 313 N 1.32 2.46 0.50 0.00 -4.23 -1.26 -4.34 115.64 110.09 1xck s THR 313 Ca 0.07 -1.06 0.21 0.00 -1.18 0.00 0.00 61.69 59.74 1xck s THR 313 Cb -0.14 -2.52 0.27 0.00 1.34 0.00 0.00 72.50 71.45 1xck s THR 313 CO 0.07 0.00 2.12 -0.07 -0.54 0.00 0.00 174.62 176.20 1xck h LEU 314 N 0.45 0.00 -1.73 4.79 3.38 -1.94 -2.33 115.31 117.94 1xck h LEU 314 Ca -0.35 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.62 1xck h LEU 314 Cb 1.28 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.02 1xck h LEU 314 CO 0.45 0.08 0.19 -0.08 0.09 0.00 0.00 178.44 179.16 1xck h GLU 315 N 0.00 0.37 0.00 1.13 4.81 -2.00 -2.34 114.58 116.54 1xck h GLU 315 Ca -0.00 -0.02 -0.16 0.00 -0.13 0.00 0.00 59.36 59.04 1xck h GLU 315 Cb 0.16 -0.08 -0.02 0.00 0.63 0.00 0.00 28.75 29.43 1xck h GLU 315 CO 0.01 0.24 -0.78 -0.44 -0.73 0.00 0.00 179.01 177.31 1xck h ASP 316 N 0.38 0.00 -4.12 1.04 3.32 -1.79 -3.44 116.42 111.80 1xck h ASP 316 Ca 0.10 0.00 -0.55 0.00 0.02 0.00 0.00 57.03 56.60 1xck h ASP 316 Cb -0.04 0.00 0.15 0.00 0.22 0.00 0.00 39.33 39.66 1xck h ASP 316 CO -0.02 0.78 0.48 -0.76 -1.72 0.00 0.00 179.24 178.00 1xck s LEU 317 N -6.92 3.53 0.77 1.55 1.02 -0.88 0.11 118.68 117.87 1xck s LEU 317 Ca 0.01 2.54 -0.03 0.00 0.02 0.00 0.00 54.13 56.66 1xck s LEU 317 Cb 0.10 -4.61 0.15 0.00 0.02 0.00 0.00 46.19 41.85 1xck s LEU 317 CO 0.78 -2.00 1.06 -0.83 0.02 0.00 0.00 176.35 175.38 1xck s GLY 318 N -1.55 1.76 -0.14 -3.19 0.00 0.94 -4.28 107.32 100.86 1xck s GLY 318 Ca 0.80 -1.72 -0.25 0.00 0.00 0.00 0.00 44.72 43.55 1xck s GLY 318 CO 0.40 -1.09 0.61 1.62 0.00 0.00 0.00 173.10 174.64 1xck s GLN 319 N -5.28 0.86 0.08 2.90 0.74 0.77 -0.72 119.66 119.00 1xck s GLN 319 Ca 0.68 0.52 -0.17 0.00 0.05 0.00 0.00 55.36 56.44 1xck s GLN 319 Cb -0.04 0.41 0.04 0.00 1.10 0.00 0.00 33.01 34.51 1xck s GLN 319 CO 0.46 -0.19 0.40 0.00 -0.55 0.00 0.00 175.29 175.41 1xck s ALA 320 N -0.45 -0.96 0.35 1.58 0.00 -1.21 -0.07 121.76 121.00 1xck s ALA 320 Ca -0.06 0.14 0.18 0.00 0.00 0.00 0.00 51.96 52.22 1xck s ALA 320 Cb -0.03 0.50 0.93 0.00 0.00 0.00 0.00 23.12 24.52 1xck s ALA 320 CO 0.05 -0.54 1.88 0.87 0.00 0.00 0.00 175.76 178.02 1xck h LYS 321 N 2.71 0.00 -1.51 0.00 1.57 -1.07 -3.00 116.57 115.27 1xck h LYS 321 Ca -0.33 0.00 0.09 0.00 -1.87 0.00 0.00 60.65 58.54 1xck h LYS 321 Cb 1.23 0.00 -0.26 0.00 0.08 0.00 0.00 32.23 33.28 1xck h LYS 321 CO 0.45 0.29 0.55 0.50 -0.57 0.00 0.00 179.45 180.67 1xck s ARG 322 N -4.11 0.46 -0.01 3.15 3.52 -1.07 0.02 118.95 120.91 1xck s ARG 322 Ca -0.02 0.39 0.02 0.00 -0.13 0.00 0.00 55.73 55.98 1xck s ARG 322 Cb 0.13 0.22 -0.00 0.00 -1.56 0.00 0.00 34.95 33.74 1xck s ARG 322 CO 0.68 -0.09 -0.06 0.14 -0.81 0.00 0.00 175.30 175.15 1xck s VAL 323 N -0.22 0.52 -0.09 7.11 -7.23 -0.74 -0.08 120.40 119.66 1xck s VAL 323 Ca 0.02 -0.27 0.02 0.00 -1.81 0.00 0.00 61.98 59.94 1xck s VAL 323 Cb -0.04 -0.44 0.01 0.00 0.56 0.00 0.00 36.38 36.47 1xck s VAL 323 CO -0.05 0.15 -0.15 -0.69 -0.31 0.00 0.00 175.10 174.05 1xck s VAL 324 N -0.11 1.43 -0.10 1.32 1.01 0.18 -2.14 120.40 121.99 1xck s VAL 324 Ca 0.02 -0.62 0.02 0.00 0.00 0.00 0.00 61.98 61.40 1xck s VAL 324 Cb -0.03 -1.30 -0.01 0.00 0.00 0.00 0.00 36.38 35.04 1xck s VAL 324 CO -0.00 0.42 -0.18 -0.63 0.00 0.00 0.00 175.10 174.72 1xck s ILE 325 N 0.83 2.67 0.00 2.22 1.01 -0.66 -0.80 121.20 126.46 1xck s ILE 325 Ca -0.10 -0.82 0.00 0.00 0.00 0.00 0.00 60.65 59.73 1xck s ILE 325 Cb -0.15 -2.07 0.00 0.00 0.01 0.00 0.00 42.46 40.25 1xck s ILE 325 CO 0.01 0.55 0.00 0.59 0.00 0.00 0.00 174.94 176.09 1xck n ASN 326 N 3.27 0.47 0.20 3.58 3.02 0.34 -1.15 115.26 124.98 1xck n ASN 326 Ca -0.18 -0.61 0.05 0.00 -0.03 0.00 0.00 54.58 53.81 1xck n ASN 326 Cb 0.53 0.00 0.41 0.00 -0.61 0.00 0.00 39.78 40.11 1xck n ASN 326 CO 0.00 0.00 0.00 0.50 -2.62 0.00 0.00 177.26 175.14 1xck h LYS 327 N 0.00 0.00 0.00 3.52 3.64 -1.93 -1.03 116.57 120.78 1xck h LYS 327 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1xck h LYS 327 Cb 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.82 1xck h LYS 327 CO 0.00 0.34 -0.32 -0.40 -2.27 0.00 0.00 179.45 176.80 1xck n ASP 328 N -3.82 0.00 -3.77 4.20 5.68 -1.26 -3.90 116.55 113.67 1xck n ASP 328 Ca -0.01 -1.64 -0.14 0.00 -0.50 0.00 0.00 54.79 52.50 1xck n ASP 328 Cb 0.42 -0.13 -0.15 0.00 -1.14 0.00 0.00 41.12 40.12 1xck n ASP 328 CO 0.00 0.00 0.00 -0.89 -1.33 0.00 0.00 177.20 174.98 1xck s THR 329 N 0.00 -0.04 -0.15 2.12 2.01 -0.98 -2.13 115.64 116.46 1xck s THR 329 Ca 0.00 0.16 0.02 0.00 0.31 0.00 0.00 61.69 62.18 1xck s THR 329 Cb 0.00 -0.16 0.01 0.00 0.01 0.00 0.00 72.50 72.36 1xck s THR 329 CO 0.00 0.07 -0.20 -0.89 -0.69 0.00 0.00 174.62 172.90 1xck s THR 330 N 0.93 2.17 -0.10 -0.82 2.01 0.15 0.13 115.64 120.10 1xck s THR 330 Ca -0.07 -0.93 0.00 0.00 0.31 0.00 0.00 61.69 61.00 1xck s THR 330 Cb -0.10 -1.88 0.02 0.00 0.01 0.00 0.00 72.50 70.55 1xck s THR 330 CO -0.04 0.54 -0.10 0.28 -0.69 0.00 0.00 174.62 174.62 1xck s THR 331 N 0.92 1.10 -0.34 -0.82 -1.32 0.02 -0.83 115.64 114.37 1xck s THR 331 Ca -0.04 -0.37 -0.15 0.00 -1.21 0.00 0.00 61.69 59.92 1xck s THR 331 Cb -0.15 -1.07 -0.01 0.00 -1.51 0.00 0.00 72.50 69.76 1xck s THR 331 CO -0.04 0.37 0.33 -0.63 -2.21 0.00 0.00 174.62 172.44 1xck s ILE 332 N 1.35 5.20 -0.27 5.08 1.01 0.72 -0.64 121.20 133.64 1xck s ILE 332 Ca -0.01 -0.01 -0.08 0.00 0.00 0.00 0.00 60.65 60.55 1xck s ILE 332 Cb -0.14 -3.79 -0.02 0.00 0.01 0.00 0.00 42.46 38.53 1xck s ILE 332 CO -0.05 -0.06 0.10 -0.63 0.00 0.00 0.00 174.94 174.30 1xck s ILE 333 N 1.94 4.41 -0.34 2.92 1.01 0.88 -1.38 121.20 130.64 1xck s ILE 333 Ca 0.10 -0.29 -0.13 0.00 0.00 0.00 0.00 60.65 60.34 1xck s ILE 333 Cb -0.17 -3.15 0.02 0.00 0.01 0.00 0.00 42.46 39.17 1xck s ILE 333 CO 0.11 0.22 0.48 -0.67 0.00 0.00 0.00 174.94 175.08 1xck n ASP 334 N 4.94 -6.73 -4.80 3.58 2.03 0.18 -2.61 116.55 113.14 1xck n ASP 334 Ca -0.15 0.42 -0.37 0.00 0.52 0.00 0.00 54.79 55.21 1xck n ASP 334 Cb 0.50 -4.50 -0.06 0.00 -0.72 0.00 0.00 41.12 36.35 1xck n ASP 334 CO 0.00 0.00 0.00 -0.83 -1.92 0.00 0.00 177.20 174.45 1xck s GLY 335 N -2.28 2.72 0.00 0.27 0.00 -0.90 -1.59 107.32 105.54 1xck s GLY 335 Ca 0.20 0.23 0.06 0.00 0.00 0.00 0.00 44.72 45.21 1xck s GLY 335 CO 0.61 0.64 1.00 -0.62 0.00 0.00 0.00 173.10 174.73 1xck n VAL 336 N 1.03 0.84 -1.50 1.40 0.31 0.91 -4.81 118.33 116.50 1xck n VAL 336 Ca -0.04 0.21 -0.43 0.00 -0.01 0.00 0.00 64.34 64.08 1xck n VAL 336 Cb 0.50 -1.12 -0.00 0.00 -0.91 0.00 0.00 33.84 32.31 1xck n VAL 336 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1xck n GLY 337 N -0.80 -1.03 3.73 2.92 0.00 0.26 -4.70 105.19 105.57 1xck n GLY 337 Ca 0.03 0.15 -0.41 0.00 0.00 0.00 0.00 46.02 45.79 1xck n GLY 337 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1xck s GLU 338 N -1.60 4.59 0.60 1.61 0.41 -1.26 -4.91 118.70 118.15 1xck s GLU 338 Ca 0.62 1.60 0.28 0.00 -0.41 0.00 0.00 54.97 57.07 1xck s GLU 338 Cb -0.65 -3.35 1.47 0.00 -1.78 0.00 0.00 34.13 29.82 1xck s GLU 338 CO 0.58 0.03 1.87 0.93 -0.49 0.00 0.00 175.26 178.18 1xck h GLU 339 N 5.87 0.00 0.16 1.61 4.39 -1.97 0.52 114.58 125.16 1xck h GLU 339 Ca -0.43 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.26 1xck h GLU 339 Cb 1.21 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.86 1xck h GLU 339 CO 0.74 0.00 -0.08 0.00 -1.16 0.00 0.00 179.01 178.52 1xck h ALA 340 N 1.39 -0.22 0.33 3.43 0.00 -1.98 -1.99 119.26 120.23 1xck h ALA 340 Ca 0.18 -0.22 -0.00 0.00 0.00 0.00 0.00 54.91 54.87 1xck h ALA 340 Cb 1.15 0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.99 1xck h ALA 340 CO -0.00 -0.28 -0.48 0.00 0.00 0.00 0.00 179.25 178.49 1xck h ALA 341 N -0.41 -1.00 0.19 0.00 0.00 -1.37 0.11 119.26 116.78 1xck h ALA 341 Ca -0.02 -0.14 0.01 0.00 0.00 0.00 0.00 54.91 54.76 1xck h ALA 341 Cb 0.50 0.75 -0.04 0.00 0.00 0.00 0.00 17.79 19.00 1xck h ALA 341 CO 0.04 -1.11 -0.40 0.82 0.00 0.00 0.00 179.25 178.60 1xck h ILE 342 N -0.86 0.19 -0.02 0.00 2.04 -1.18 0.74 117.51 118.43 1xck h ILE 342 Ca -0.03 0.00 0.01 0.00 1.00 0.00 0.00 64.86 65.84 1xck h ILE 342 Cb 0.80 0.19 -0.00 0.00 -0.74 0.00 0.00 36.82 37.07 1xck h ILE 342 CO -0.15 0.00 0.02 -0.61 0.00 0.00 0.00 178.15 177.41 1xck h GLN 343 N -0.68 0.00 -0.18 2.37 5.75 -1.30 -1.15 115.11 119.92 1xck h GLN 343 Ca 0.01 0.00 -0.21 0.00 -0.15 0.00 0.00 58.65 58.30 1xck h GLN 343 Cb 0.67 0.00 0.01 0.00 1.07 0.00 0.00 27.48 29.23 1xck h GLN 343 CO -0.19 0.00 -0.72 0.78 -2.65 0.00 0.00 178.83 176.05 1xck h GLY 344 N 0.00 0.89 1.20 2.39 0.00 0.09 -2.74 103.07 104.89 1xck h GLY 344 Ca 0.01 -1.21 -0.04 0.00 0.00 0.00 0.00 47.33 46.09 1xck h GLY 344 CO -0.00 1.08 0.27 -0.09 0.00 0.00 0.00 176.54 177.80 1xck h ARG 345 N 0.55 1.02 0.00 4.80 9.65 0.08 -1.10 114.38 129.38 1xck h ARG 345 Ca -0.04 -0.18 -0.02 0.00 -1.10 0.00 0.00 59.98 58.65 1xck h ARG 345 Cb 1.35 -0.17 -0.00 0.00 -1.39 0.00 0.00 29.97 29.76 1xck h ARG 345 CO 0.15 0.84 -0.09 0.28 2.80 0.00 0.00 179.97 183.95 1xck h VAL 346 N 1.00 1.02 0.57 0.20 2.07 -1.16 -2.56 116.25 117.40 1xck h VAL 346 Ca 0.23 -0.30 -0.03 0.00 0.82 0.00 0.00 66.70 67.43 1xck h VAL 346 Cb 0.20 1.16 0.01 0.00 -1.52 0.00 0.00 31.29 31.14 1xck h VAL 346 CO -0.02 0.08 -0.27 0.00 0.02 0.00 0.00 177.57 177.38 1xck h ALA 347 N 1.91 -0.76 -0.01 1.67 0.00 -0.90 -0.91 119.26 120.26 1xck h ALA 347 Ca -0.00 -0.20 0.03 0.00 0.00 0.00 0.00 54.91 54.73 1xck h ALA 347 Cb 0.16 0.30 -0.06 0.00 0.00 0.00 0.00 17.79 18.18 1xck h ALA 347 CO 0.01 -0.79 -0.50 1.96 0.00 0.00 0.00 179.25 179.92 1xck h GLN 348 N -1.04 -0.62 -0.80 0.00 4.20 -1.27 0.19 115.11 115.78 1xck h GLN 348 Ca -0.08 0.04 0.17 0.00 0.06 0.00 0.00 58.65 58.85 1xck h GLN 348 Cb 0.65 0.14 -0.05 0.00 0.30 0.00 0.00 27.48 28.52 1xck h GLN 348 CO 0.13 -0.41 0.54 0.82 -0.67 0.00 0.00 178.83 179.23 1xck h ILE 349 N -0.64 0.74 0.00 2.54 2.04 -1.53 0.89 117.51 121.55 1xck h ILE 349 Ca 0.03 -0.13 -0.00 0.00 1.00 0.00 0.00 64.86 65.75 1xck h ILE 349 Cb 0.71 0.33 -0.00 0.00 -0.74 0.00 0.00 36.82 37.12 1xck h ILE 349 CO -0.35 0.07 -0.02 -0.09 0.00 0.00 0.00 178.15 177.76 1xck h ARG 350 N 0.38 0.00 0.19 2.37 2.43 0.31 -2.86 114.38 117.20 1xck h ARG 350 Ca 0.40 0.00 -0.27 0.00 -0.81 0.00 0.00 59.98 59.30 1xck h ARG 350 Cb 1.00 0.00 0.03 0.00 -0.42 0.00 0.00 29.97 30.57 1xck h ARG 350 CO -0.13 0.02 -1.21 1.96 -1.51 0.00 0.00 179.97 179.11 1xck h GLN 351 N 0.00 0.41 -0.85 0.20 1.08 0.36 -3.28 115.11 113.02 1xck h GLN 351 Ca -0.00 -0.69 0.13 0.00 -1.45 0.00 0.00 58.65 56.64 1xck h GLN 351 Cb 0.89 0.26 -0.09 0.00 -0.05 0.00 0.00 27.48 28.49 1xck h GLN 351 CO 0.00 1.33 0.46 1.96 -0.95 0.00 0.00 178.83 181.63 1xck h GLN 352 N -0.12 0.67 -0.39 1.46 1.08 -0.29 0.14 115.11 117.66 1xck h GLN 352 Ca -0.22 -0.04 0.11 0.00 -1.45 0.00 0.00 58.65 57.06 1xck h GLN 352 Cb 1.91 -0.15 -0.02 0.00 -0.05 0.00 0.00 27.48 29.17 1xck h GLN 352 CO 0.20 0.44 0.31 0.82 -0.95 0.00 0.00 178.83 179.66 1xck h ILE 353 N 0.69 0.66 0.10 2.54 2.04 -1.56 -0.98 117.51 120.99 1xck h ILE 353 Ca 0.45 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 66.30 1xck h ILE 353 Cb 0.57 0.77 0.00 0.00 -0.74 0.00 0.00 36.82 37.42 1xck h ILE 353 CO -0.32 0.00 -0.05 -0.33 0.00 0.00 0.00 178.15 177.45 1xck h GLU 354 N 0.00 -0.12 -0.40 2.37 4.39 -0.84 -3.21 114.58 116.76 1xck h GLU 354 Ca 0.19 0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.89 1xck h GLU 354 Cb 0.81 0.03 0.00 0.00 -0.10 0.00 0.00 28.75 29.49 1xck h GLU 354 CO -0.00 0.35 0.00 0.39 -1.16 0.00 0.00 179.01 178.59 1xck n GLU 355 N -4.82 0.58 -2.68 2.33 1.02 -0.73 -4.75 120.64 111.58 1xck n GLU 355 Ca -0.07 0.00 -0.43 0.00 -0.02 0.00 0.00 57.16 56.64 1xck n GLU 355 Cb 0.26 -1.20 -0.03 0.00 -0.02 0.00 0.00 31.44 30.45 1xck n GLU 355 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1xck s ALA 356 N -1.30 3.36 -1.26 0.62 0.00 -0.45 -4.90 121.76 117.82 1xck s ALA 356 Ca 0.00 -0.32 0.28 0.00 0.00 0.00 0.00 51.96 51.92 1xck s ALA 356 Cb 0.00 -3.70 1.06 0.00 0.00 0.00 0.00 23.12 20.48 1xck s ALA 356 CO 0.00 -1.77 1.78 0.25 0.00 0.00 0.00 175.76 176.01 1xck n THR 357 N 6.21 0.00 -4.25 0.00 -2.24 -1.26 -4.90 114.28 107.85 1xck n THR 357 Ca 0.10 -0.02 -0.14 0.00 -2.27 0.00 0.00 64.05 61.72 1xck n THR 357 Cb 0.48 -0.16 -0.10 0.00 -2.10 0.00 0.00 70.33 68.45 1xck n THR 357 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1xck s SER 358 N -2.79 0.79 -0.10 3.42 0.15 -1.26 -5.08 113.70 108.83 1xck s SER 358 Ca 0.19 -1.31 -0.20 0.00 0.70 0.00 0.00 55.95 55.33 1xck s SER 358 Cb 0.19 0.23 -0.17 0.00 -1.71 0.00 0.00 66.02 64.56 1xck s SER 358 CO 0.55 -0.72 0.62 0.44 1.20 0.00 0.00 173.24 175.33 1xck h ASP 359 N 2.58 -0.05 -0.73 5.45 3.32 -1.99 -3.07 116.42 121.94 1xck h ASP 359 Ca -0.37 -0.56 0.16 0.00 0.02 0.00 0.00 57.03 56.28 1xck h ASP 359 Cb 1.23 0.01 -0.13 0.00 0.22 0.00 0.00 39.33 40.66 1xck h ASP 359 CO 0.59 0.69 -0.06 0.22 -1.72 0.00 0.00 179.24 178.96 1xck h TYR 360 N -0.94 -0.16 0.00 4.55 3.20 -1.99 0.93 116.97 122.56 1xck h TYR 360 Ca -0.01 0.06 -0.02 0.00 3.14 0.00 0.00 58.73 61.90 1xck h TYR 360 Cb 0.61 0.18 -0.00 0.00 1.54 0.00 0.00 36.73 39.06 1xck h TYR 360 CO 0.15 -0.26 -0.08 -0.44 -1.64 0.00 0.00 178.16 175.89 1xck h ASP 361 N 0.07 0.00 0.15 -2.11 5.19 -2.00 -1.13 116.42 116.59 1xck h ASP 361 Ca 0.38 0.00 -0.21 0.00 -0.62 0.00 0.00 57.03 56.58 1xck h ASP 361 Cb 0.64 0.00 0.02 0.00 0.18 0.00 0.00 39.33 40.17 1xck h ASP 361 CO -0.67 0.08 -0.96 -0.09 -3.12 0.00 0.00 179.24 174.48 1xck h ARG 362 N 0.00 0.32 0.38 3.56 2.43 0.78 -3.01 114.38 118.83 1xck h ARG 362 Ca -0.00 -0.55 -0.01 0.00 -0.81 0.00 0.00 59.98 58.61 1xck h ARG 362 Cb 0.25 0.20 -0.01 0.00 -0.42 0.00 0.00 29.97 30.00 1xck h ARG 362 CO 0.01 1.26 -0.26 0.93 -1.51 0.00 0.00 179.97 180.40 1xck h GLU 363 N -0.31 -0.61 -0.98 0.20 4.39 0.10 -1.10 114.58 116.27 1xck h GLU 363 Ca -0.17 0.04 0.13 0.00 0.34 0.00 0.00 59.36 59.70 1xck h GLU 363 Cb 1.71 0.14 -0.08 0.00 -0.10 0.00 0.00 28.75 30.42 1xck h GLU 363 CO 0.16 -0.40 0.62 0.87 -1.16 0.00 0.00 179.01 179.09 1xck h LYS 364 N -0.63 0.88 -0.30 2.33 1.79 -1.36 -0.89 116.57 118.39 1xck h LYS 364 Ca -0.04 -0.05 -0.08 0.00 -2.18 0.00 0.00 60.65 58.30 1xck h LYS 364 Cb 0.53 -0.20 -0.01 0.00 -1.58 0.00 0.00 32.23 30.98 1xck h LYS 364 CO 0.02 0.58 -0.14 -0.07 -1.08 0.00 0.00 179.45 178.76 1xck h LEU 365 N 0.90 0.63 -1.18 2.94 3.38 -1.35 -2.88 115.31 117.76 1xck h LEU 365 Ca 0.49 -0.40 0.06 0.00 0.09 0.00 0.00 57.88 58.12 1xck h LEU 365 Cb 0.59 -0.17 -0.06 0.00 0.09 0.00 0.00 40.66 41.11 1xck h LEU 365 CO -0.26 0.90 0.57 1.56 0.09 0.00 0.00 178.44 181.29 1xck h GLN 366 N 0.37 0.97 -0.54 1.13 1.08 -0.17 -1.81 115.11 116.13 1xck h GLN 366 Ca 0.07 -0.06 0.03 0.00 -1.45 0.00 0.00 58.65 57.24 1xck h GLN 366 Cb 0.65 -0.22 -0.04 0.00 -0.05 0.00 0.00 27.48 27.83 1xck h GLN 366 CO 0.04 0.64 0.32 0.93 -0.95 0.00 0.00 178.83 179.82 1xck h GLU 367 N 1.00 0.62 -0.48 1.46 5.08 -1.00 -1.45 114.58 119.81 1xck h GLU 367 Ca 0.37 -0.04 -0.07 0.00 -1.00 0.00 0.00 59.36 58.62 1xck h GLU 367 Cb 0.18 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.27 1xck h GLU 367 CO -0.13 0.41 0.03 0.00 -1.00 0.00 0.00 179.01 178.31 1xck h ARG 368 N 0.64 0.83 -0.42 2.33 3.08 -1.16 -2.01 114.38 117.67 1xck h ARG 368 Ca 0.22 -0.25 -0.11 0.00 0.07 0.00 0.00 59.98 59.91 1xck h ARG 368 Cb 0.04 -0.08 -0.02 0.00 0.08 0.00 0.00 29.97 29.99 1xck h ARG 368 CO -0.10 0.86 -0.17 -0.39 -1.07 0.00 0.00 179.97 179.10 1xck h VAL 369 N 0.69 1.27 -0.29 2.04 -1.51 -1.31 -1.47 116.25 115.66 1xck h VAL 369 Ca 0.14 -1.27 0.05 0.00 -1.23 0.00 0.00 66.70 64.39 1xck h VAL 369 Cb 0.47 1.13 -0.05 0.00 -2.13 0.00 0.00 31.29 30.71 1xck h VAL 369 CO 0.02 0.43 0.01 0.00 -1.23 0.00 0.00 177.57 176.80 1xck h ALA 370 N 1.10 0.27 0.11 5.19 0.00 -1.09 0.69 119.26 125.53 1xck h ALA 370 Ca 0.11 0.08 -0.01 0.00 0.00 0.00 0.00 54.91 55.09 1xck h ALA 370 Cb 0.67 0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.60 1xck h ALA 370 CO 0.05 -0.40 -0.05 0.87 0.00 0.00 0.00 179.25 179.71 1xck h LYS 371 N 0.10 -0.14 0.37 0.00 1.57 -1.09 0.18 116.57 117.55 1xck h LYS 371 Ca 0.14 0.01 -0.02 0.00 -1.87 0.00 0.00 60.65 58.91 1xck h LYS 371 Cb 0.18 0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.53 1xck h LYS 371 CO -0.23 -0.06 -0.18 1.25 -0.57 0.00 0.00 179.45 179.66 1xck h LEU 372 N -0.18 -0.42 -1.82 2.94 5.85 -0.88 -3.23 115.31 117.56 1xck h LEU 372 Ca -0.02 0.01 -0.03 0.00 0.84 0.00 0.00 57.88 58.69 1xck h LEU 372 Cb 0.14 0.11 -0.00 0.00 0.37 0.00 0.00 40.66 41.28 1xck h LEU 372 CO 0.02 -0.25 -0.13 0.00 -0.34 0.00 0.00 178.44 177.74 1xck h ALA 373 N -1.67 1.63 -0.50 1.25 0.00 0.28 -3.21 119.26 117.04 1xck h ALA 373 Ca -0.05 -0.12 -0.09 0.00 0.00 0.00 0.00 54.91 54.65 1xck h ALA 373 Cb 0.38 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.13 1xck h ALA 373 CO 0.08 0.16 -0.07 0.78 0.00 0.00 0.00 179.25 180.21 1xck h GLY 374 N 0.49 0.97 0.00 0.00 0.00 -0.71 -3.50 103.07 100.32 1xck h GLY 374 Ca -0.00 -0.72 0.00 0.00 0.00 0.00 0.00 47.33 46.61 1xck h GLY 374 CO 0.02 0.66 0.00 0.61 0.00 0.00 0.00 176.54 177.83 1xck n GLY 375 N -0.44 -1.68 2.88 4.60 0.00 -1.21 -4.91 105.19 104.43 1xck n GLY 375 Ca 0.02 -1.36 -0.16 0.00 0.00 0.00 0.00 46.02 44.52 1xck n GLY 375 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1xck s VAL 376 N 0.00 -0.23 0.30 1.61 1.01 -0.07 -4.51 120.40 118.50 1xck s VAL 376 Ca 0.00 0.31 -0.29 0.00 0.00 0.00 0.00 61.98 62.00 1xck s VAL 376 Cb 0.00 -0.30 -0.09 0.00 0.00 0.00 0.00 36.38 35.98 1xck s VAL 376 CO 0.00 0.13 1.07 0.00 0.00 0.00 0.00 175.10 176.30 1xck s ALA 377 N 2.05 3.34 -0.20 5.51 0.00 0.54 -1.34 121.76 131.65 1xck s ALA 377 Ca -0.00 0.83 0.01 0.00 0.00 0.00 0.00 51.96 52.79 1xck s ALA 377 Cb -0.12 -3.30 0.05 0.00 0.00 0.00 0.00 23.12 19.75 1xck s ALA 377 CO -0.06 -0.12 -0.08 0.08 0.00 0.00 0.00 175.76 175.57 1xck s VAL 378 N -1.26 1.50 -0.33 0.00 1.01 -0.74 -0.88 120.40 119.70 1xck s VAL 378 Ca 0.46 -0.98 -0.14 0.00 0.00 0.00 0.00 61.98 61.32 1xck s VAL 378 Cb -0.29 -1.64 -0.02 0.00 0.00 0.00 0.00 36.38 34.42 1xck s VAL 378 CO 0.37 0.10 0.32 -0.63 0.00 0.00 0.00 175.10 175.27 1xck s ILE 379 N 1.45 5.20 -0.29 2.22 1.01 0.38 -2.69 121.20 128.48 1xck s ILE 379 Ca -0.02 0.04 -0.10 0.00 0.00 0.00 0.00 60.65 60.57 1xck s ILE 379 Cb -0.17 -3.77 -0.03 0.00 0.01 0.00 0.00 42.46 38.51 1xck s ILE 379 CO -0.08 -0.03 0.16 -0.54 0.00 0.00 0.00 174.94 174.45 1xck s LYS 380 N 1.94 3.64 -0.13 2.79 1.02 0.40 -0.68 119.74 128.71 1xck s LYS 380 Ca 0.10 -0.52 -0.27 0.00 0.02 0.00 0.00 55.97 55.31 1xck s LYS 380 Cb -0.17 -3.57 -0.01 0.00 -0.52 0.00 0.00 37.83 33.56 1xck s LYS 380 CO 0.11 -0.28 0.90 0.08 -0.92 0.00 0.00 175.35 175.23 1xck s VAL 381 N 1.68 4.85 0.27 3.17 1.01 -0.85 -1.09 120.40 129.45 1xck s VAL 381 Ca 0.06 1.79 0.05 0.00 0.00 0.00 0.00 61.98 63.88 1xck s VAL 381 Cb -0.16 -4.21 -0.03 0.00 0.00 0.00 0.00 36.38 31.99 1xck s VAL 381 CO 0.08 0.03 0.41 -0.83 0.00 0.00 0.00 175.10 174.79 1xck s GLY 382 N 1.10 1.30 0.11 4.51 0.00 -1.26 -1.24 107.32 111.84 1xck s GLY 382 Ca 0.42 -1.23 -0.26 0.00 0.00 0.00 0.00 44.72 43.65 1xck s GLY 382 CO 0.15 -1.22 1.09 0.00 0.00 0.00 0.00 173.10 173.12 1xck s ALA 383 N -2.07 -1.85 0.06 3.20 0.00 -1.04 -4.55 121.76 115.52 1xck s ALA 383 Ca 0.37 0.17 -0.00 0.00 0.00 0.00 0.00 51.96 52.50 1xck s ALA 383 Cb -0.09 0.60 -0.26 0.00 0.00 0.00 0.00 23.12 23.37 1xck s ALA 383 CO 0.30 -1.06 1.08 0.00 0.00 0.00 0.00 175.76 176.09 1xck h ALA 384 N 2.00 0.24 -2.40 0.00 0.00 -1.95 -2.99 119.26 114.16 1xck h ALA 384 Ca -0.26 -0.98 -0.37 0.00 0.00 0.00 0.00 54.91 53.30 1xck h ALA 384 Cb 1.22 0.06 -0.16 0.00 0.00 0.00 0.00 17.79 18.91 1xck h ALA 384 CO 0.29 1.12 -0.73 0.95 0.00 0.00 0.00 179.25 180.88 1xck s THR 385 N -2.66 1.29 0.28 0.00 -4.23 -1.26 -4.95 115.64 104.11 1xck s THR 385 Ca -0.04 -1.99 -0.03 0.00 -1.18 0.00 0.00 61.69 58.45 1xck s THR 385 Cb 0.08 -1.78 0.25 0.00 1.34 0.00 0.00 72.50 72.38 1xck s THR 385 CO 0.86 -0.64 1.94 -0.08 -0.54 0.00 0.00 174.62 176.16 1xck h GLU 386 N 2.95 1.15 0.31 3.99 4.81 -1.99 -0.70 114.58 125.10 1xck h GLU 386 Ca -0.38 -0.09 -0.01 0.00 -0.13 0.00 0.00 59.36 58.76 1xck h GLU 386 Cb 1.20 -0.25 -0.01 0.00 0.63 0.00 0.00 28.75 30.32 1xck h GLU 386 CO 0.60 0.78 -0.23 0.28 -0.73 0.00 0.00 179.01 179.71 1xck h VAL 387 N 1.17 0.52 -0.64 0.32 2.07 -1.99 0.37 116.25 118.07 1xck h VAL 387 Ca 0.31 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.85 1xck h VAL 387 Cb -0.09 0.52 -0.04 0.00 -1.52 0.00 0.00 31.29 30.16 1xck h VAL 387 CO -0.06 0.00 0.41 -0.33 0.02 0.00 0.00 177.57 177.61 1xck h GLU 388 N -0.54 0.81 0.33 1.57 5.08 -1.90 -1.24 114.58 118.69 1xck h GLU 388 Ca -0.02 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.29 1xck h GLU 388 Cb 0.47 -0.18 -0.03 0.00 0.50 0.00 0.00 28.75 29.51 1xck h GLU 388 CO 0.00 0.53 -0.39 1.98 -1.00 0.00 0.00 179.01 180.13 1xck h MET 389 N 0.83 -0.74 -0.84 2.33 4.05 -0.81 0.15 114.93 119.92 1xck h MET 389 Ca 0.25 0.05 0.09 0.00 -0.28 0.00 0.00 59.70 59.81 1xck h MET 389 Cb -0.05 0.17 -0.06 0.00 -0.80 0.00 0.00 31.60 30.86 1xck h MET 389 CO -0.07 -0.49 0.54 0.87 0.23 0.00 0.00 176.91 177.99 1xck h LYS 390 N -0.76 0.79 0.33 0.39 1.79 -0.73 0.55 116.57 118.93 1xck h LYS 390 Ca -0.02 -0.05 -0.02 0.00 -2.18 0.00 0.00 60.65 58.39 1xck h LYS 390 Cb 0.70 -0.18 0.00 0.00 -1.58 0.00 0.00 32.23 31.18 1xck h LYS 390 CO -0.10 0.52 -0.16 1.49 -1.08 0.00 0.00 179.45 180.12 1xck h GLU 391 N 0.82 -0.43 -0.58 3.15 4.22 -0.55 -2.75 114.58 118.45 1xck h GLU 391 Ca 0.38 0.03 0.02 0.00 0.08 0.00 0.00 59.36 59.87 1xck h GLU 391 Cb 0.40 0.10 -0.03 0.00 0.50 0.00 0.00 28.75 29.71 1xck h GLU 391 CO -0.15 -0.14 0.38 -0.22 -2.18 0.00 0.00 179.01 176.71 1xck h LYS 392 N -0.72 0.70 -0.80 1.92 3.64 -0.31 -1.18 116.57 119.82 1xck h LYS 392 Ca -0.05 -0.04 0.06 0.00 -1.27 0.00 0.00 60.65 59.35 1xck h LYS 392 Cb 0.49 -0.16 -0.06 0.00 -0.41 0.00 0.00 32.23 32.10 1xck h LYS 392 CO 0.08 0.46 0.49 -0.22 -2.27 0.00 0.00 179.45 177.99 1xck h LYS 393 N 0.72 0.86 -0.38 1.90 3.64 -0.78 0.15 116.57 122.68 1xck h LYS 393 Ca 0.22 -0.05 -0.05 0.00 -1.27 0.00 0.00 60.65 59.51 1xck h LYS 393 Cb 0.01 -0.19 -0.01 0.00 -0.41 0.00 0.00 32.23 31.62 1xck h LYS 393 CO -0.06 0.57 0.06 0.00 -2.27 0.00 0.00 179.45 177.76 1xck h ALA 394 N 1.39 0.51 -0.05 5.00 0.00 -0.94 -0.55 119.26 124.61 1xck h ALA 394 Ca 0.35 -0.21 -0.06 0.00 0.00 0.00 0.00 54.91 54.99 1xck h ALA 394 Cb 0.17 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 1xck h ALA 394 CO -0.17 0.22 -0.25 0.00 0.00 0.00 0.00 179.25 179.05 1xck h ARG 395 N 0.48 0.09 -0.05 0.00 3.08 -0.75 -1.46 114.38 115.78 1xck h ARG 395 Ca 0.12 -0.03 -0.02 0.00 0.07 0.00 0.00 59.98 60.12 1xck h ARG 395 Cb 0.37 -0.01 -0.00 0.00 0.08 0.00 0.00 29.97 30.41 1xck h ARG 395 CO 0.01 0.34 -0.06 0.28 -1.07 0.00 0.00 179.97 179.46 1xck h VAL 396 N 0.09 1.40 -0.79 2.04 2.07 -0.39 -1.27 116.25 119.40 1xck h VAL 396 Ca 0.01 -1.30 0.11 0.00 0.82 0.00 0.00 66.70 66.34 1xck h VAL 396 Cb 0.49 2.17 -0.08 0.00 -1.52 0.00 0.00 31.29 32.35 1xck h VAL 396 CO 0.03 0.35 0.42 -0.33 0.02 0.00 0.00 177.57 178.07 1xck h GLU 397 N -0.36 0.66 0.48 1.57 5.08 -0.79 0.10 114.58 121.33 1xck h GLU 397 Ca 0.00 -0.04 -0.02 0.00 -1.00 0.00 0.00 59.36 58.30 1xck h GLU 397 Cb 0.60 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 29.71 1xck h GLU 397 CO 0.02 0.44 -0.23 -0.44 -1.00 0.00 0.00 179.01 177.79 1xck h ASP 398 N 0.68 -0.55 -0.78 1.42 3.32 -1.26 -2.80 116.42 116.46 1xck h ASP 398 Ca 0.40 -0.08 0.23 0.00 0.02 0.00 0.00 57.03 57.60 1xck h ASP 398 Cb 0.44 0.14 -0.03 0.00 0.22 0.00 0.00 39.33 40.10 1xck h ASP 398 CO -0.28 -0.16 0.59 0.00 -1.72 0.00 0.00 179.24 177.66 1xck h ALA 399 N -0.76 2.70 0.32 3.45 0.00 -0.95 -0.94 119.26 123.10 1xck h ALA 399 Ca -0.07 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.80 1xck h ALA 399 Cb 0.59 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.44 1xck h ALA 399 CO 0.11 -0.99 -0.16 1.25 0.00 0.00 0.00 179.25 179.47 1xck h LEU 400 N 0.00 -0.37 -0.57 0.00 5.85 -0.64 -1.08 115.31 118.50 1xck h LEU 400 Ca 0.37 -0.16 0.08 0.00 0.84 0.00 0.00 57.88 59.00 1xck h LEU 400 Cb 1.54 0.10 -0.06 0.00 0.37 0.00 0.00 40.66 42.60 1xck h LEU 400 CO -0.00 -0.00 0.24 0.45 -0.34 0.00 0.00 178.44 178.78 1xck h HIS 401 N -0.78 0.43 0.37 1.25 3.86 -0.95 0.13 115.15 119.46 1xck h HIS 401 Ca -0.04 0.03 -0.01 0.00 -1.16 0.00 0.00 60.37 59.19 1xck h HIS 401 Cb 0.51 -0.11 -0.03 0.00 1.06 0.00 0.00 27.41 28.85 1xck h HIS 401 CO 0.02 0.15 -0.49 0.00 0.86 0.00 0.00 177.93 178.47 1xck h ALA 402 N 1.37 -1.09 -0.89 2.45 0.00 -1.30 -1.10 119.26 118.69 1xck h ALA 402 Ca 0.28 -0.16 0.10 0.00 0.00 0.00 0.00 54.91 55.12 1xck h ALA 402 Cb 0.29 0.77 -0.06 0.00 0.00 0.00 0.00 17.79 18.78 1xck h ALA 402 CO -0.25 -1.15 0.57 1.15 0.00 0.00 0.00 179.25 179.57 1xck h THR 403 N -0.89 0.97 -0.62 0.00 2.02 -0.80 0.47 112.91 114.06 1xck h THR 403 Ca -0.04 -0.30 0.03 0.00 0.77 0.00 0.00 66.41 66.86 1xck h THR 403 Cb 0.80 0.01 -0.04 0.00 -1.74 0.00 0.00 68.15 67.19 1xck h THR 403 CO -0.13 0.16 0.38 -0.09 0.37 0.00 0.00 175.52 176.21 1xck h ARG 404 N 0.87 0.74 -0.05 6.66 1.12 -0.31 0.80 114.38 124.21 1xck h ARG 404 Ca 0.41 -0.04 -0.17 0.00 -1.11 0.00 0.00 59.98 59.07 1xck h ARG 404 Cb 0.41 -0.17 -0.01 0.00 -0.01 0.00 0.00 29.97 30.20 1xck h ARG 404 CO -0.17 0.49 -0.70 0.00 -3.11 0.00 0.00 179.97 176.47 1xck h ALA 405 N 1.26 0.70 -0.36 2.80 0.00 0.09 -2.83 119.26 120.93 1xck h ALA 405 Ca 0.25 -0.60 -0.09 0.00 0.00 0.00 0.00 54.91 54.47 1xck h ALA 405 Cb 0.01 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 1xck h ALA 405 CO -0.10 0.78 -0.11 0.00 0.00 0.00 0.00 179.25 179.82 1xck h ALA 406 N 1.07 0.49 -0.36 0.00 0.00 -0.41 -1.57 119.26 118.49 1xck h ALA 406 Ca -0.02 -0.32 -0.01 0.00 0.00 0.00 0.00 54.91 54.56 1xck h ALA 406 Cb 1.25 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.90 1xck h ALA 406 CO 0.11 0.37 0.19 0.28 0.00 0.00 0.00 179.25 180.20 1xck h VAL 407 N 0.49 1.12 -0.05 0.00 2.07 -0.82 1.22 116.25 120.28 1xck h VAL 407 Ca 0.09 -0.30 -0.16 0.00 0.82 0.00 0.00 66.70 67.15 1xck h VAL 407 Cb 0.63 0.64 0.01 0.00 -1.52 0.00 0.00 31.29 31.05 1xck h VAL 407 CO 0.04 0.13 -0.59 -0.33 0.02 0.00 0.00 177.57 176.84 1xck h GLU 408 N 0.50 0.49 0.00 1.57 5.08 -1.24 -3.41 114.58 117.57 1xck h GLU 408 Ca 0.13 -0.46 0.00 0.00 -1.00 0.00 0.00 59.36 58.03 1xck h GLU 408 Cb 0.02 0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.38 1xck h GLU 408 CO -0.02 1.10 -0.05 0.39 -1.00 0.00 0.00 179.01 179.43 1xck n GLU 409 N -4.20 0.82 0.00 2.33 1.02 -0.61 -5.08 120.64 114.92 1xck n GLU 409 Ca -0.09 -0.88 0.00 0.00 -0.02 0.00 0.00 57.16 56.17 1xck n GLU 409 Cb 0.65 -0.67 0.00 0.00 -0.02 0.00 0.00 31.44 31.41 1xck n GLU 409 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1xck n GLY 410 N -0.18 -1.92 3.24 0.62 0.00 0.42 -4.43 105.19 102.93 1xck n GLY 410 Ca 0.01 -1.39 -0.15 0.00 0.00 0.00 0.00 46.02 44.49 1xck n GLY 410 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1xck s VAL 411 N 0.00 1.17 0.23 1.61 -7.23 0.24 -0.53 120.40 115.89 1xck s VAL 411 Ca 0.00 -1.99 0.01 0.00 -1.81 0.00 0.00 61.98 58.19 1xck s VAL 411 Cb 0.00 -1.77 -0.04 0.00 0.56 0.00 0.00 36.38 35.13 1xck s VAL 411 CO 0.00 -0.70 0.17 0.68 -0.31 0.00 0.00 175.10 174.93 1xck s VAL 412 N -3.14 0.01 0.28 1.32 -7.23 -0.59 -0.56 120.40 110.49 1xck s VAL 412 Ca 0.15 -2.00 -0.30 0.00 -1.81 0.00 0.00 61.98 58.02 1xck s VAL 412 Cb 0.01 -2.50 -0.11 0.00 0.56 0.00 0.00 36.38 34.34 1xck s VAL 412 CO 0.01 0.00 1.61 0.00 -0.31 0.00 0.00 175.10 176.41 1xck s ALA 413 N -3.98 3.77 0.42 1.32 0.00 -1.26 -1.51 121.76 120.52 1xck s ALA 413 Ca 0.39 1.57 0.00 0.00 0.00 0.00 0.00 51.96 53.92 1xck s ALA 413 Cb 0.06 -3.65 0.00 0.00 0.00 0.00 0.00 23.12 19.53 1xck s ALA 413 CO 0.16 -0.97 0.00 0.41 0.00 0.00 0.00 175.76 175.35 1xck n GLY 414 N 2.39 1.12 2.74 0.00 0.00 -0.00 -2.92 105.19 108.52 1xck n GLY 414 Ca 0.09 -1.80 -0.08 0.00 0.00 0.00 0.00 46.02 44.22 1xck n GLY 414 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xck n GLY 415 N 5.00 0.85 2.22 -0.02 0.00 -1.26 -1.83 105.19 110.15 1xck n GLY 415 Ca 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 46.02 45.97 1xck n GLY 415 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xck n GLY 416 N 0.01 0.40 0.13 -0.02 0.00 -1.26 -4.43 105.19 100.02 1xck n GLY 416 Ca -0.08 0.00 0.02 0.00 0.00 0.00 0.00 46.02 45.96 1xck n GLY 416 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 1xck h VAL 417 N 0.00 0.74 -0.36 1.61 -1.51 -1.56 -3.24 116.25 111.94 1xck h VAL 417 Ca 0.00 -2.11 0.02 0.00 -1.23 0.00 0.00 66.70 63.37 1xck h VAL 417 Cb 0.21 2.30 -0.02 0.00 -2.13 0.00 0.00 31.29 31.64 1xck h VAL 417 CO 0.00 0.42 0.21 0.00 -1.23 0.00 0.00 177.57 176.97 1xck h ALA 418 N 1.50 0.45 -0.72 5.19 0.00 -1.71 0.89 119.26 124.86 1xck h ALA 418 Ca -0.04 -0.00 -0.06 0.00 0.00 0.00 0.00 54.91 54.81 1xck h ALA 418 Cb 1.42 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 19.08 1xck h ALA 418 CO 0.06 -0.15 0.23 -0.07 0.00 0.00 0.00 179.25 179.32 1xck h LEU 419 N 0.42 1.04 -0.63 0.00 3.38 -1.85 -0.82 115.31 116.85 1xck h LEU 419 Ca 0.14 -0.19 -0.14 0.00 0.09 0.00 0.00 57.88 57.78 1xck h LEU 419 Cb 0.01 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.48 1xck h LEU 419 CO -0.07 0.97 -0.42 -0.29 0.09 0.00 0.00 178.44 178.72 1xck h ILE 420 N 1.07 1.30 0.06 1.22 2.10 -1.49 -1.66 117.51 120.11 1xck h ILE 420 Ca 0.23 -1.59 -0.00 0.00 1.08 0.00 0.00 64.86 64.58 1xck h ILE 420 Cb 0.30 1.56 0.00 0.00 -1.09 0.00 0.00 36.82 37.59 1xck h ILE 420 CO -0.01 0.50 -0.03 -0.09 -1.08 0.00 0.00 178.15 177.45 1xck h ARG 421 N 0.49 -0.08 -0.89 2.19 9.65 -0.48 -1.27 114.38 123.99 1xck h ARG 421 Ca 0.04 0.01 0.04 0.00 -1.10 0.00 0.00 59.98 58.96 1xck h ARG 421 Cb 0.93 0.02 -0.05 0.00 -1.39 0.00 0.00 29.97 29.47 1xck h ARG 421 CO 0.08 0.07 0.57 0.28 2.80 0.00 0.00 179.97 183.77 1xck h VAL 422 N -0.21 1.13 -0.52 0.20 2.07 -1.09 -2.41 116.25 115.41 1xck h VAL 422 Ca -0.01 -0.38 -0.06 0.00 0.82 0.00 0.00 66.70 67.08 1xck h VAL 422 Cb 0.18 -0.06 -0.02 0.00 -1.52 0.00 0.00 31.29 29.87 1xck h VAL 422 CO 0.01 0.20 0.09 0.00 0.02 0.00 0.00 177.57 177.89 1xck h ALA 423 N 1.38 0.69 -0.05 1.67 0.00 -1.09 -2.56 119.26 119.29 1xck h ALA 423 Ca 0.36 -0.24 0.02 0.00 0.00 0.00 0.00 54.91 55.05 1xck h ALA 423 Cb 0.04 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 17.63 1xck h ALA 423 CO -0.13 0.42 0.06 0.66 0.00 0.00 0.00 179.25 180.26 1xck h SER 424 N 0.74 0.00 1.58 0.00 4.64 -0.74 -0.89 113.55 118.89 1xck h SER 424 Ca 0.16 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.48 1xck h SER 424 Cb 0.39 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.48 1xck h SER 424 CO 0.01 0.00 -0.13 0.11 -0.87 0.00 0.00 176.83 175.95 1xck h LYS 425 N 0.00 0.00 -0.69 4.77 1.57 -1.18 -3.32 116.57 117.72 1xck h LYS 425 Ca 0.03 0.00 -0.13 0.00 -1.87 0.00 0.00 60.65 58.68 1xck h LYS 425 Cb 0.14 0.00 -0.08 0.00 0.08 0.00 0.00 32.23 32.38 1xck h LYS 425 CO -0.00 0.00 0.16 1.28 -0.57 0.00 0.00 179.45 180.32 1xck n LEU 426 N -2.60 5.98 -0.20 2.94 4.77 -0.34 -4.63 117.00 122.92 1xck n LEU 426 Ca 0.04 -3.08 0.11 0.00 -0.03 0.00 0.00 56.01 53.05 1xck n LEU 426 Cb 0.48 -0.73 0.40 0.00 -2.33 0.00 0.00 43.42 41.25 1xck n LEU 426 CO 0.33 0.73 1.21 0.00 -1.33 0.00 0.00 177.39 178.33 1xck h ALA 427 N 3.25 1.86 -0.19 -1.18 0.00 -1.67 -1.84 119.26 119.50 1xck h ALA 427 Ca 0.16 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.07 1xck h ALA 427 Cb 2.20 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 19.86 1xck h ALA 427 CO 0.65 -0.04 0.00 -0.25 0.00 0.00 0.00 179.25 179.61 1xck n ASP 428 N -4.51 1.97 -4.73 0.00 8.00 -1.26 -4.92 116.55 111.10 1xck n ASP 428 Ca 0.14 -1.75 -0.42 0.00 0.71 0.00 0.00 54.79 53.47 1xck n ASP 428 Cb 0.39 -0.12 -0.03 0.00 -0.02 0.00 0.00 41.12 41.34 1xck n ASP 428 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 1xck s LEU 429 N -1.59 4.38 0.15 0.64 2.96 -0.69 -5.01 118.68 119.52 1xck s LEU 429 Ca 0.33 2.56 0.02 0.00 -0.22 0.00 0.00 54.13 56.82 1xck s LEU 429 Cb 0.18 -3.61 -0.04 0.00 0.50 0.00 0.00 46.19 43.22 1xck s LEU 429 CO 0.27 -0.71 -0.02 -0.13 -1.32 0.00 0.00 176.35 174.44 1xck s ARG 430 N 0.36 1.01 0.00 1.98 1.81 -1.26 -4.96 118.95 117.89 1xck s ARG 430 Ca 0.63 -1.46 0.00 0.00 -1.72 0.00 0.00 55.73 53.18 1xck s ARG 430 Cb -0.41 -0.24 0.00 0.00 -0.45 0.00 0.00 34.95 33.85 1xck s ARG 430 CO 0.37 -0.09 0.00 0.41 -0.68 0.00 0.00 175.30 175.31 1xck n GLY 431 N -0.17 5.85 0.18 -3.53 0.00 -1.26 -5.01 105.19 101.25 1xck n GLY 431 Ca -0.08 -2.05 0.07 0.00 0.00 0.00 0.00 46.02 43.96 1xck n GLY 431 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 1xck h GLN 432 N 0.00 0.00 -4.00 1.61 4.20 -1.99 -3.47 115.11 111.46 1xck h GLN 432 Ca 0.00 0.00 -0.22 0.00 0.06 0.00 0.00 58.65 58.49 1xck h GLN 432 Cb 0.00 0.00 -0.08 0.00 0.30 0.00 0.00 27.48 27.70 1xck h GLN 432 CO 0.00 0.29 -0.17 0.54 -0.67 0.00 0.00 178.83 178.82 1xck s ASN 433 N -6.31 0.66 0.23 1.46 2.20 -1.26 -5.05 114.94 106.86 1xck s ASN 433 Ca 0.04 -1.37 -0.07 0.00 -0.94 0.00 0.00 52.86 50.53 1xck s ASN 433 Cb 0.07 0.65 0.21 0.00 -2.00 0.00 0.00 41.25 40.18 1xck s ASN 433 CO 0.70 -1.27 1.82 -0.08 -2.94 0.00 0.00 177.10 175.32 1xck h GLU 434 N 2.15 1.19 -0.54 3.55 4.57 -1.99 -1.25 114.58 122.27 1xck h GLU 434 Ca -0.28 -0.19 0.02 0.00 -1.18 0.00 0.00 59.36 57.73 1xck h GLU 434 Cb 1.24 -0.21 -0.03 0.00 -0.16 0.00 0.00 28.75 29.59 1xck h GLU 434 CO 0.39 0.93 0.33 -0.44 -1.18 0.00 0.00 179.01 179.03 1xck h ASP 435 N 1.18 0.53 -0.50 1.04 3.32 -1.95 -0.24 116.42 119.79 1xck h ASP 435 Ca 0.28 0.00 -0.05 0.00 0.02 0.00 0.00 57.03 57.28 1xck h ASP 435 Cb 0.15 -0.11 -0.03 0.00 0.22 0.00 0.00 39.33 39.56 1xck h ASP 435 CO -0.03 0.37 0.15 1.56 -1.72 0.00 0.00 179.24 179.57 1xck h GLN 436 N 0.65 0.85 -0.76 3.56 4.20 -1.60 -0.64 115.11 121.35 1xck h GLN 436 Ca 0.21 -0.17 0.01 0.00 0.06 0.00 0.00 58.65 58.76 1xck h GLN 436 Cb 0.01 -0.13 -0.04 0.00 0.30 0.00 0.00 27.48 27.63 1xck h GLN 436 CO -0.09 0.75 0.51 -0.91 -0.67 0.00 0.00 178.83 178.42 1xck h ASN 437 N 0.82 0.88 -0.64 1.46 2.35 -0.11 0.28 115.58 120.62 1xck h ASN 437 Ca 0.18 -0.02 -0.01 0.00 -0.55 0.00 0.00 56.30 55.89 1xck h ASN 437 Cb 0.28 -0.22 -0.03 0.00 0.05 0.00 0.00 38.32 38.40 1xck h ASN 437 CO -0.00 0.64 0.34 0.58 -1.65 0.00 0.00 177.43 177.33 1xck h VAL 438 N 1.04 1.21 -0.48 2.81 2.07 -0.50 -1.80 116.25 120.59 1xck h VAL 438 Ca 0.28 -0.53 0.05 0.00 0.82 0.00 0.00 66.70 67.32 1xck h VAL 438 Cb -0.12 0.39 -0.05 0.00 -1.52 0.00 0.00 31.29 30.00 1xck h VAL 438 CO -0.06 0.23 0.21 1.23 0.02 0.00 0.00 177.57 179.20 1xck h GLY 439 N 0.87 0.66 0.95 2.17 0.00 -0.06 0.21 103.07 107.86 1xck h GLY 439 Ca 0.22 -0.14 0.02 0.00 0.00 0.00 0.00 47.33 47.43 1xck h GLY 439 CO -0.03 0.06 0.44 -2.22 0.00 0.00 0.00 176.54 174.79 1xck h ILE 440 N 0.42 1.14 -0.28 2.60 2.04 -0.61 -1.90 117.51 120.92 1xck h ILE 440 Ca 0.22 -0.30 -0.09 0.00 1.00 0.00 0.00 64.86 65.68 1xck h ILE 440 Cb 0.18 0.18 -0.01 0.00 -0.74 0.00 0.00 36.82 36.42 1xck h ILE 440 CO -0.19 0.16 -0.22 0.11 0.00 0.00 0.00 178.15 178.01 1xck h LYS 441 N 0.88 0.52 -0.48 2.37 1.79 -0.42 -1.06 116.57 120.18 1xck h LYS 441 Ca 0.26 -0.19 0.00 0.00 -2.18 0.00 0.00 60.65 58.54 1xck h LYS 441 Cb -0.05 -0.04 -0.02 0.00 -1.58 0.00 0.00 32.23 30.54 1xck h LYS 441 CO -0.08 0.71 0.31 0.28 -1.08 0.00 0.00 179.45 179.59 1xck h VAL 442 N 0.47 1.14 -0.16 0.50 2.07 -0.04 -0.48 116.25 119.75 1xck h VAL 442 Ca 0.07 -0.29 -0.03 0.00 0.82 0.00 0.00 66.70 67.27 1xck h VAL 442 Cb 0.64 0.46 -0.00 0.00 -1.52 0.00 0.00 31.29 30.87 1xck h VAL 442 CO 0.05 0.14 -0.03 0.00 0.02 0.00 0.00 177.57 177.74 1xck h ALA 443 N 1.16 0.22 -0.53 1.67 0.00 -1.02 -1.57 119.26 119.18 1xck h ALA 443 Ca 0.18 -0.23 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 1xck h ALA 443 Cb -0.04 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 17.67 1xck h ALA 443 CO -0.04 -0.03 0.27 -0.07 0.00 0.00 0.00 179.25 179.38 1xck h LEU 444 N 0.01 0.65 -0.42 0.00 3.38 -1.08 -1.74 115.31 116.10 1xck h LEU 444 Ca 0.04 -0.05 -0.10 0.00 0.09 0.00 0.00 57.88 57.86 1xck h LEU 444 Cb 0.46 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.03 1xck h LEU 444 CO 0.01 0.54 -0.11 -0.09 0.09 0.00 0.00 178.44 178.88 1xck h ARG 445 N 0.73 0.81 -0.20 1.13 2.43 -0.99 -2.97 114.38 115.32 1xck h ARG 445 Ca 0.19 -0.32 -0.04 0.00 -0.81 0.00 0.00 59.98 59.00 1xck h ARG 445 Cb 0.05 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 29.54 1xck h ARG 445 CO -0.03 0.94 -0.03 0.00 -1.51 0.00 0.00 179.97 179.34 1xck h ALA 446 N 0.85 1.57 0.00 2.80 0.00 -0.60 -2.18 119.26 121.70 1xck h ALA 446 Ca 0.10 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1xck h ALA 446 Cb 0.65 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.34 1xck h ALA 446 CO 0.04 0.31 0.00 -1.33 0.00 0.00 0.00 179.25 178.28 1xck n MET 447 N -4.34 0.01 0.03 0.00 2.81 -0.72 -0.12 117.12 114.80 1xck n MET 447 Ca -0.00 0.47 0.12 0.00 -1.81 0.00 0.00 57.70 56.47 1xck n MET 447 Cb 0.21 -1.53 0.12 0.00 -0.71 0.00 0.00 33.22 31.31 1xck n MET 447 CO 0.00 0.00 0.00 0.39 1.51 0.00 0.00 175.97 177.87 1xck n GLU 448 N -1.54 0.19 0.03 0.03 1.02 -0.82 -3.74 120.64 115.81 1xck n GLU 448 Ca 0.01 0.02 -0.13 0.00 -0.02 0.00 0.00 57.16 57.04 1xck n GLU 448 Cb 0.03 -1.59 -0.06 0.00 -0.02 0.00 0.00 31.44 29.80 1xck n GLU 448 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1xck h ALA 449 N 2.69 -0.62 -0.09 0.62 0.00 -0.65 -1.98 119.26 119.23 1xck h ALA 449 Ca 0.00 -0.02 0.03 0.00 0.00 0.00 0.00 54.91 54.91 1xck h ALA 449 Cb 0.66 0.76 -0.06 0.00 0.00 0.00 0.00 17.79 19.14 1xck h ALA 449 CO 0.00 -0.93 -0.53 -1.35 0.00 0.00 0.00 179.25 176.44 1xck h PRO 450 N -0.53 -0.58 -0.11 0.00 0.11 -1.78 0.25 132.00 129.35 1xck h PRO 450 Ca 0.06 0.04 0.04 0.00 0.11 0.00 0.00 66.00 66.25 1xck h PRO 450 Cb 0.63 0.13 -0.05 0.00 0.11 0.00 0.00 31.00 31.83 1xck h PRO 450 CO -0.36 -0.39 -0.17 1.25 -0.21 0.00 0.00 178.00 178.13 1xck h LEU 451 N -0.61 -0.51 -0.51 2.35 6.46 -1.70 -0.21 115.31 120.58 1xck h LEU 451 Ca 0.03 0.09 0.09 0.00 -0.12 0.00 0.00 57.88 57.97 1xck h LEU 451 Cb 0.69 0.24 -0.07 0.00 -0.73 0.00 0.00 40.66 40.79 1xck h LEU 451 CO -0.41 -0.22 0.10 0.03 -0.62 0.00 0.00 178.44 177.33 1xck h ARG 452 N -0.22 0.23 -0.24 1.25 3.08 -0.94 0.04 114.38 117.58 1xck h ARG 452 Ca 0.09 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.13 1xck h ARG 452 Cb 0.35 -0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.33 1xck h ARG 452 CO -0.24 0.15 0.16 0.37 -1.07 0.00 0.00 179.97 179.34 1xck h GLN 453 N 0.24 0.32 -0.40 0.04 5.75 0.07 0.85 115.11 121.98 1xck h GLN 453 Ca 0.26 -0.02 0.07 0.00 -0.15 0.00 0.00 58.65 58.81 1xck h GLN 453 Cb 0.35 -0.07 -0.07 0.00 1.07 0.00 0.00 27.48 28.76 1xck h GLN 453 CO -0.33 0.22 -0.01 0.82 -2.65 0.00 0.00 178.83 176.87 1xck h ILE 454 N 0.32 0.69 -0.68 2.39 2.04 -0.05 0.69 117.51 122.92 1xck h ILE 454 Ca 0.09 -0.03 -0.05 0.00 1.00 0.00 0.00 64.86 65.87 1xck h ILE 454 Cb -0.03 0.59 -0.03 0.00 -0.74 0.00 0.00 36.82 36.61 1xck h ILE 454 CO -0.02 0.02 0.24 0.58 0.00 0.00 0.00 178.15 178.96 1xck h VAL 455 N 0.09 1.24 -0.68 1.67 2.07 -0.70 -2.14 116.25 117.80 1xck h VAL 455 Ca 0.20 -0.80 -0.03 0.00 0.82 0.00 0.00 66.70 66.88 1xck h VAL 455 Cb 0.28 0.47 -0.03 0.00 -1.52 0.00 0.00 31.29 30.49 1xck h VAL 455 CO -0.34 0.32 0.31 0.25 0.02 0.00 0.00 177.57 178.13 1xck h LEU 456 N 0.99 0.92 -1.54 2.57 5.85 0.27 -1.61 115.31 122.76 1xck h LEU 456 Ca 0.22 -0.15 -0.05 0.00 0.84 0.00 0.00 57.88 58.75 1xck h LEU 456 Cb 0.24 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 41.03 1xck h LEU 456 CO -0.01 0.81 -0.23 0.78 -0.34 0.00 0.00 178.44 179.44 1xck h ASN 457 N 0.96 0.00 0.81 1.25 2.35 -0.53 -1.37 115.58 119.05 1xck h ASN 457 Ca 0.23 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.98 1xck h ASN 457 Cb 0.16 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.53 1xck h ASN 457 CO -0.03 0.23 0.00 0.00 -1.65 0.00 0.00 177.43 175.99 1xck n GLY 459 N 1.13 0.37 3.74 0.00 0.00 -0.51 -5.06 105.19 104.86 1xck n GLY 459 Ca 0.08 -0.92 -0.26 0.00 0.00 0.00 0.00 46.02 44.91 1xck n GLY 459 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1xck s GLU 460 N -3.70 2.19 -0.55 1.61 0.41 -0.69 -5.04 118.70 112.94 1xck s GLU 460 Ca 0.00 -1.95 -0.25 0.00 -0.41 0.00 0.00 54.97 52.36 1xck s GLU 460 Cb 0.00 -1.90 0.04 0.00 -1.78 0.00 0.00 34.13 30.48 1xck s GLU 460 CO 0.00 -0.18 1.00 -1.21 -0.49 0.00 0.00 175.26 174.38 1xck s GLU 461 N -3.91 3.41 0.21 1.61 2.02 -1.26 -4.28 118.70 116.50 1xck s GLU 461 Ca 0.36 -0.07 -0.11 0.00 0.02 0.00 0.00 54.97 55.17 1xck s GLU 461 Cb 0.04 -4.03 0.29 0.00 0.10 0.00 0.00 34.13 30.53 1xck s GLU 461 CO 0.20 -1.50 1.65 -1.35 0.02 0.00 0.00 175.26 174.28 1xck h PRO 462 N 9.34 0.08 -0.51 0.39 0.11 -1.87 -2.01 132.00 137.53 1xck h PRO 462 Ca -0.26 -0.00 0.06 0.00 0.11 0.00 0.00 66.00 65.91 1xck h PRO 462 Cb 1.07 -0.02 -0.05 0.00 0.11 0.00 0.00 31.00 32.11 1xck h PRO 462 CO 1.11 0.05 0.23 0.77 -0.21 0.00 0.00 178.00 179.95 1xck h SER 463 N 0.08 0.29 0.15 -2.05 0.02 -1.95 0.31 113.55 110.41 1xck h SER 463 Ca 0.32 0.04 -0.01 0.00 -0.84 0.00 0.00 61.79 61.31 1xck h SER 463 Cb 0.52 -0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.06 1xck h SER 463 CO -0.57 0.20 -0.07 0.58 -1.14 0.00 0.00 176.83 175.83 1xck h VAL 464 N 0.44 0.94 -0.46 2.27 2.07 -1.81 -0.16 116.25 119.55 1xck h VAL 464 Ca 0.24 -0.39 -0.03 0.00 0.82 0.00 0.00 66.70 67.34 1xck h VAL 464 Cb 0.20 1.19 -0.02 0.00 -1.52 0.00 0.00 31.29 31.14 1xck h VAL 464 CO -0.20 0.09 0.18 0.58 0.02 0.00 0.00 177.57 178.25 1xck h VAL 465 N -0.39 1.20 -0.81 2.57 2.07 -1.20 -0.31 116.25 119.38 1xck h VAL 465 Ca -0.02 -0.63 0.03 0.00 0.82 0.00 0.00 66.70 66.91 1xck h VAL 465 Cb 0.31 0.77 -0.05 0.00 -1.52 0.00 0.00 31.29 30.79 1xck h VAL 465 CO 0.03 0.23 0.52 0.00 0.02 0.00 0.00 177.57 178.38 1xck h ALA 466 N 1.03 1.07 0.10 1.67 0.00 -0.37 0.08 119.26 122.84 1xck h ALA 466 Ca 0.15 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 55.03 1xck h ALA 466 Cb 0.19 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 17.71 1xck h ALA 466 CO -0.01 0.33 -0.05 -0.97 0.00 0.00 0.00 179.25 178.55 1xck h ASN 467 N 1.00 -0.11 -0.50 0.00 -1.24 -0.58 -1.29 115.58 112.86 1xck h ASN 467 Ca 0.33 -0.11 0.01 0.00 0.71 0.00 0.00 56.30 57.23 1xck h ASN 467 Cb 0.02 0.03 -0.03 0.00 0.73 0.00 0.00 38.32 39.07 1xck h ASN 467 CO -0.12 0.05 0.32 0.74 -1.29 0.00 0.00 177.43 177.13 1xck h THR 468 N -0.26 1.11 -0.67 -3.57 2.02 -0.75 -2.30 112.91 108.48 1xck h THR 468 Ca -0.01 -0.22 -0.00 0.00 0.77 0.00 0.00 66.41 66.94 1xck h THR 468 Cb 0.22 0.40 -0.03 0.00 -1.74 0.00 0.00 68.15 67.00 1xck h THR 468 CO 0.02 0.12 0.40 0.58 0.37 0.00 0.00 175.52 177.01 1xck h VAL 469 N 0.65 1.20 -0.14 3.16 2.07 -0.89 -2.04 116.25 120.25 1xck h VAL 469 Ca 0.19 -0.44 -0.01 0.00 0.82 0.00 0.00 66.70 67.26 1xck h VAL 469 Cb -0.05 0.27 -0.01 0.00 -1.52 0.00 0.00 31.29 29.99 1xck h VAL 469 CO -0.05 0.20 0.05 0.11 0.02 0.00 0.00 177.57 177.90 1xck h LYS 470 N 0.91 0.20 -0.22 1.57 1.57 -0.88 -2.25 116.57 117.47 1xck h LYS 470 Ca 0.24 -0.02 -0.08 0.00 -1.87 0.00 0.00 60.65 58.92 1xck h LYS 470 Cb -0.02 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.23 1xck h LYS 470 CO -0.04 0.17 -0.21 0.78 -0.57 0.00 0.00 179.45 179.58 1xck h GLY 471 N 0.31 0.43 0.00 3.86 0.00 -0.82 -3.45 103.07 103.41 1xck h GLY 471 Ca 0.05 -0.33 0.00 0.00 0.00 0.00 0.00 47.33 47.06 1xck h GLY 471 CO -0.00 0.30 0.00 0.61 0.00 0.00 0.00 176.54 177.44 1xck n GLY 472 N -0.53 -1.82 3.21 4.60 0.00 -0.85 -5.11 105.19 104.69 1xck n GLY 472 Ca -0.00 -1.50 -0.12 0.00 0.00 0.00 0.00 46.02 44.39 1xck n GLY 472 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1xck s ASP 473 N -1.33 0.25 0.44 1.61 1.01 -1.26 -5.02 116.67 112.36 1xck s ASP 473 Ca 0.00 -1.39 0.00 0.00 0.71 0.00 0.00 52.55 51.87 1xck s ASP 473 Cb 0.00 0.36 0.00 0.00 1.01 0.00 0.00 42.92 44.29 1xck s ASP 473 CO 0.00 -0.83 0.00 0.61 0.21 0.00 0.00 175.17 175.16 1xck n GLY 474 N -0.29 2.10 1.34 0.21 0.00 -1.26 -1.32 105.19 105.97 1xck n GLY 474 Ca 0.02 -0.25 -0.06 0.00 0.00 0.00 0.00 46.02 45.73 1xck n GLY 474 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1xck n ASN 475 N -0.17 3.15 -4.69 1.61 4.13 -1.26 -4.87 115.26 113.14 1xck n ASN 475 Ca 0.00 -2.53 -0.42 0.00 1.68 0.00 0.00 54.58 53.31 1xck n ASN 475 Cb 0.00 -0.61 -0.03 0.00 -1.54 0.00 0.00 39.78 37.60 1xck n ASN 475 CO 0.00 0.00 0.00 -0.47 0.28 0.00 0.00 177.26 177.07 1xck s TYR 476 N -1.30 3.42 0.00 3.10 5.04 -0.44 -0.25 117.35 126.93 1xck s TYR 476 Ca 0.20 1.46 0.00 0.00 -2.44 0.00 0.00 57.07 56.30 1xck s TYR 476 Cb 0.17 -3.27 0.00 0.00 0.35 0.00 0.00 41.96 39.20 1xck s TYR 476 CO 0.04 -0.64 0.00 0.41 -1.34 0.00 0.00 175.55 174.02 1xck n GLY 477 N 3.16 3.99 3.27 8.97 0.00 0.76 -4.69 105.19 120.66 1xck n GLY 477 Ca 0.09 -1.04 -0.34 0.00 0.00 0.00 0.00 46.02 44.73 1xck n GLY 477 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1xck s TYR 478 N -2.04 2.88 -0.87 1.61 5.04 -1.26 -1.77 117.35 120.94 1xck s TYR 478 Ca 0.00 -1.08 -0.23 0.00 -2.44 0.00 0.00 57.07 53.32 1xck s TYR 478 Cb 0.00 -2.00 0.07 0.00 0.35 0.00 0.00 41.96 40.38 1xck s TYR 478 CO 0.00 -0.56 1.24 1.21 -1.34 0.00 0.00 175.55 176.10 1xck s ASN 479 N 1.21 6.39 0.44 4.32 3.84 0.22 -4.84 114.94 126.52 1xck s ASN 479 Ca 0.02 -1.28 0.18 0.00 0.21 0.00 0.00 52.86 52.00 1xck s ASN 479 Cb -0.14 -2.50 1.12 0.00 -0.55 0.00 0.00 41.25 39.18 1xck s ASN 479 CO -0.04 -1.47 1.90 0.00 -2.79 0.00 0.00 177.10 174.70 1xck h ALA 480 N 9.58 2.23 -0.34 1.71 0.00 -1.94 0.43 119.26 130.93 1xck h ALA 480 Ca -0.01 0.00 -0.08 0.00 0.00 0.00 0.00 54.91 54.82 1xck h ALA 480 Cb 1.03 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.78 1xck h ALA 480 CO 1.27 -0.46 -0.12 0.00 0.00 0.00 0.00 179.25 179.94 1xck h ALA 481 N 1.63 1.17 -0.00 0.00 0.00 -1.96 -3.29 119.26 116.81 1xck h ALA 481 Ca 0.41 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 55.03 1xck h ALA 481 Cb 1.04 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.69 1xck h ALA 481 CO -0.13 0.53 0.00 0.25 0.00 0.00 0.00 179.25 179.90 1xck n THR 482 N -4.19 0.00 -2.05 0.00 -2.24 -0.54 -4.99 114.28 100.27 1xck n THR 482 Ca 0.01 -0.50 -0.21 0.00 -2.27 0.00 0.00 64.05 61.08 1xck n THR 482 Cb 0.33 1.08 -0.04 0.00 -2.10 0.00 0.00 70.33 69.60 1xck n THR 482 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1xck n GLU 483 N 0.21 -1.55 -4.56 -0.78 1.02 0.14 -4.98 120.64 110.14 1xck n GLU 483 Ca 0.02 1.10 -0.34 0.00 -0.02 0.00 0.00 57.16 57.92 1xck n GLU 483 Cb 0.10 -5.63 -0.12 0.00 -0.02 0.00 0.00 31.44 25.77 1xck n GLU 483 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 1xck s GLU 484 N -4.48 3.05 0.18 3.49 0.41 -1.19 -4.90 118.70 115.26 1xck s GLU 484 Ca 0.00 -0.54 -0.07 0.00 -0.41 0.00 0.00 54.97 53.95 1xck s GLU 484 Cb 0.00 -2.69 -0.06 0.00 -1.78 0.00 0.00 34.13 29.60 1xck s GLU 484 CO 0.00 0.53 0.45 0.71 -0.49 0.00 0.00 175.26 176.45 1xck s TYR 485 N -0.43 3.46 -2.95 1.61 1.51 -1.26 -0.61 117.35 118.68 1xck s TYR 485 Ca 0.06 0.69 0.00 0.00 -1.01 0.00 0.00 57.07 56.81 1xck s TYR 485 Cb -0.12 -2.11 0.00 0.00 -0.11 0.00 0.00 41.96 39.62 1xck s TYR 485 CO 0.02 0.37 0.00 0.41 -1.11 0.00 0.00 175.55 175.24 1xck n GLY 486 N 0.02 -0.86 3.63 0.71 0.00 -0.73 -4.96 105.19 103.01 1xck n GLY 486 Ca -0.01 -0.97 -0.43 0.00 0.00 0.00 0.00 46.02 44.61 1xck n GLY 486 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1xck s ASN 487 N -4.00 6.88 0.20 1.61 3.84 -1.26 -0.17 114.94 122.04 1xck s ASN 487 Ca 0.00 0.95 -0.11 0.00 0.21 0.00 0.00 52.86 53.92 1xck s ASN 487 Cb 0.00 -2.54 0.24 0.00 -0.55 0.00 0.00 41.25 38.40 1xck s ASN 487 CO 0.00 -0.93 1.74 0.24 -2.79 0.00 0.00 177.10 175.36 1xck h MET 488 N 8.26 0.35 -0.52 0.43 2.86 -0.93 -1.27 114.93 124.13 1xck h MET 488 Ca -0.21 -0.02 -0.01 0.00 -2.06 0.00 0.00 59.70 57.40 1xck h MET 488 Cb 1.06 -0.08 -0.02 0.00 0.06 0.00 0.00 31.60 32.62 1xck h MET 488 CO 1.05 0.23 0.29 0.82 1.06 0.00 0.00 176.91 180.36 1xck h ILE 489 N 0.36 1.17 -0.73 -1.22 1.08 -1.76 -0.58 117.51 115.83 1xck h ILE 489 Ca 0.28 -0.41 -0.02 0.00 -0.39 0.00 0.00 64.86 64.32 1xck h ILE 489 Cb 0.35 0.51 -0.03 0.00 -3.07 0.00 0.00 36.82 34.57 1xck h ILE 489 CO -0.30 0.18 0.37 0.44 -0.69 0.00 0.00 178.15 178.15 1xck h ASP 490 N 0.69 0.93 0.00 1.72 3.32 -1.80 -0.34 116.42 120.94 1xck h ASP 490 Ca 0.18 -0.09 0.00 0.00 0.02 0.00 0.00 57.03 57.14 1xck h ASP 490 Cb 0.03 -0.24 0.00 0.00 0.22 0.00 0.00 39.33 39.34 1xck h ASP 490 CO -0.03 0.77 0.00 0.23 -1.72 0.00 0.00 179.24 178.49 1xck n MET 491 N -4.34 0.92 -1.95 3.56 2.81 -0.53 -4.87 117.12 112.71 1xck n MET 491 Ca 0.07 0.00 -0.13 0.00 -1.81 0.00 0.00 57.70 55.83 1xck n MET 491 Cb 0.12 -1.17 -0.02 0.00 -0.71 0.00 0.00 33.22 31.44 1xck n MET 491 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1xck n GLY 492 N 0.56 0.35 3.06 3.03 0.00 -0.14 -4.98 105.19 107.08 1xck n GLY 492 Ca 0.07 -0.37 -0.35 0.00 0.00 0.00 0.00 46.02 45.38 1xck n GLY 492 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1xck s ILE 493 N -2.59 3.35 0.26 -0.61 1.01 -0.27 -5.01 121.20 117.35 1xck s ILE 493 Ca 0.00 -2.92 0.02 0.00 0.00 0.00 0.00 60.65 57.74 1xck s ILE 493 Cb 0.00 -3.23 -0.04 0.00 0.01 0.00 0.00 42.46 39.20 1xck s ILE 493 CO 0.00 -0.83 0.13 -1.48 0.00 0.00 0.00 174.94 172.76 1xck s LEU 494 N 0.05 1.54 0.01 2.97 0.05 -1.26 -0.82 118.68 121.22 1xck s LEU 494 Ca 0.16 -1.45 0.00 0.00 0.05 0.00 0.00 54.13 52.89 1xck s LEU 494 Cb -0.22 0.17 -0.01 0.00 -2.05 0.00 0.00 46.19 44.09 1xck s LEU 494 CO -0.03 -0.82 -0.02 -1.81 -0.55 0.00 0.00 176.35 173.12 1xck s ASP 495 N -3.30 0.22 0.16 1.48 1.01 -0.57 -4.52 116.67 111.15 1xck s ASP 495 Ca 0.37 -0.21 -0.32 0.00 0.71 0.00 0.00 52.55 53.11 1xck s ASP 495 Cb 0.07 0.02 -0.10 0.00 1.01 0.00 0.00 42.92 43.92 1xck s ASP 495 CO 0.15 -0.10 1.64 -2.84 0.21 0.00 0.00 175.17 174.23 1xck s PRO 496 N -0.58 4.18 0.49 8.23 0.02 -1.26 -1.54 135.00 144.54 1xck s PRO 496 Ca -0.05 2.45 0.31 0.00 0.02 0.00 0.00 61.00 63.73 1xck s PRO 496 Cb -0.04 -3.21 1.42 0.00 0.02 0.00 0.00 34.50 32.69 1xck s PRO 496 CO -0.00 -0.68 1.77 1.15 -0.33 0.00 0.00 177.00 178.91 1xck h THR 497 N 4.09 0.40 -0.78 0.99 2.02 -1.02 0.20 112.91 118.81 1xck h THR 497 Ca -0.43 -0.04 -0.03 0.00 0.77 0.00 0.00 66.41 66.67 1xck h THR 497 Cb 1.20 0.27 -0.04 0.00 -1.74 0.00 0.00 68.15 67.85 1xck h THR 497 CO 0.93 0.02 0.35 0.50 0.37 0.00 0.00 175.52 177.69 1xck h LYS 498 N 0.12 1.13 -0.32 6.66 3.64 -1.80 -1.26 116.57 124.74 1xck h LYS 498 Ca 0.61 -0.18 -0.14 0.00 -1.27 0.00 0.00 60.65 59.67 1xck h LYS 498 Cb 2.12 -0.20 -0.00 0.00 -0.41 0.00 0.00 32.23 33.74 1xck h LYS 498 CO -0.12 0.89 -0.34 -0.39 -2.27 0.00 0.00 179.45 177.22 1xck h VAL 499 N 1.12 1.29 -0.08 2.00 -1.51 -0.92 -0.71 116.25 117.44 1xck h VAL 499 Ca 0.27 -1.51 -0.01 0.00 -1.23 0.00 0.00 66.70 64.21 1xck h VAL 499 Cb 0.15 1.52 -0.00 0.00 -2.13 0.00 0.00 31.29 30.82 1xck h VAL 499 CO -0.03 0.49 0.02 0.74 -1.23 0.00 0.00 177.57 177.56 1xck h THR 500 N 0.57 1.19 -0.38 7.19 2.02 -1.43 0.45 112.91 122.52 1xck h THR 500 Ca 0.05 -0.58 0.05 0.00 0.77 0.00 0.00 66.41 66.70 1xck h THR 500 Cb 0.92 1.44 -0.05 0.00 -1.74 0.00 0.00 68.15 68.73 1xck h THR 500 CO 0.08 0.16 0.11 -0.09 0.37 0.00 0.00 175.52 176.16 1xck h ARG 501 N -0.09 0.25 0.27 6.66 2.43 -1.21 -1.59 114.38 121.09 1xck h ARG 501 Ca 0.02 -0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 59.17 1xck h ARG 501 Cb 0.24 -0.06 0.00 0.00 -0.42 0.00 0.00 29.97 29.74 1xck h ARG 501 CO 0.00 0.16 -0.13 0.77 -1.51 0.00 0.00 179.97 179.26 1xck h SER 502 N 0.25 -0.31 -0.54 -3.80 0.02 -0.99 -0.78 113.55 107.42 1xck h SER 502 Ca 0.18 -0.00 0.11 0.00 -0.84 0.00 0.00 61.79 61.23 1xck h SER 502 Cb 0.18 0.08 -0.09 0.00 0.14 0.00 0.00 62.40 62.71 1xck h SER 502 CO -0.20 -0.21 -0.01 0.00 -1.14 0.00 0.00 176.83 175.28 1xck h ALA 503 N 0.34 0.51 0.38 3.77 0.00 -0.70 0.83 119.26 124.38 1xck h ALA 503 Ca -0.04 0.16 -0.02 0.00 0.00 0.00 0.00 54.91 55.02 1xck h ALA 503 Cb 0.29 0.28 0.00 0.00 0.00 0.00 0.00 17.79 18.37 1xck h ALA 503 CO 0.06 -0.39 -0.18 1.25 0.00 0.00 0.00 179.25 179.99 1xck h LEU 504 N 0.11 -0.43 -0.75 0.00 5.85 -1.14 -1.24 115.31 117.72 1xck h LEU 504 Ca 0.27 -0.09 0.07 0.00 0.84 0.00 0.00 57.88 58.97 1xck h LEU 504 Cb 0.42 0.11 -0.06 0.00 0.37 0.00 0.00 40.66 41.50 1xck h LEU 504 CO -0.46 -0.16 0.43 1.56 -0.34 0.00 0.00 178.44 179.48 1xck h GLN 505 N -0.69 0.76 -0.44 1.25 4.20 -0.73 0.60 115.11 120.07 1xck h GLN 505 Ca -0.05 -0.05 -0.09 0.00 0.06 0.00 0.00 58.65 58.52 1xck h GLN 505 Cb 0.49 -0.17 -0.01 0.00 0.30 0.00 0.00 27.48 28.08 1xck h GLN 505 CO 0.08 0.50 -0.08 1.88 -0.67 0.00 0.00 178.83 180.55 1xck h TYR 506 N 0.78 0.92 0.50 2.96 0.05 -0.84 -1.03 116.97 120.31 1xck h TYR 506 Ca 0.34 -0.19 -0.02 0.00 0.05 0.00 0.00 58.73 58.90 1xck h TYR 506 Cb 0.21 -0.23 0.00 0.00 1.01 0.00 0.00 36.73 37.73 1xck h TYR 506 CO -0.06 0.92 -0.24 0.00 -1.05 0.00 0.00 178.16 177.73 1xck h ALA 507 N 0.87 -0.67 -0.55 3.88 0.00 -0.63 -2.22 119.26 119.95 1xck h ALA 507 Ca 0.11 -0.15 0.12 0.00 0.00 0.00 0.00 54.91 55.00 1xck h ALA 507 Cb 0.61 0.26 -0.03 0.00 0.00 0.00 0.00 17.79 18.63 1xck h ALA 507 CO 0.04 -0.86 0.38 0.00 0.00 0.00 0.00 179.25 178.81 1xck h ALA 508 N -0.19 2.25 0.64 0.00 0.00 -0.87 -0.71 119.26 120.38 1xck h ALA 508 Ca -0.07 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.80 1xck h ALA 508 Cb 0.52 -0.02 0.01 0.00 0.00 0.00 0.00 17.79 18.30 1xck h ALA 508 CO 0.11 -0.39 -0.31 1.03 0.00 0.00 0.00 179.25 179.69 1xck h SER 509 N 0.20 -0.73 -0.28 0.00 0.87 -0.59 -0.49 113.55 112.53 1xck h SER 509 Ca 0.26 -0.02 -0.09 0.00 -1.23 0.00 0.00 61.79 60.71 1xck h SER 509 Cb 0.76 0.19 -0.02 0.00 -0.44 0.00 0.00 62.40 62.90 1xck h SER 509 CO -0.05 -0.40 -0.14 1.62 -0.53 0.00 0.00 176.83 177.33 1xck h VAL 510 N -1.04 1.26 -0.74 2.23 3.04 -1.17 -2.18 116.25 117.64 1xck h VAL 510 Ca -0.09 -1.19 -0.03 0.00 -1.01 0.00 0.00 66.70 64.38 1xck h VAL 510 Cb 0.70 1.11 -0.03 0.00 -2.01 0.00 0.00 31.29 31.06 1xck h VAL 510 CO 0.14 0.40 0.33 0.00 -1.01 0.00 0.00 177.57 177.43 1xck h ALA 511 N 1.20 0.96 -0.83 3.17 0.00 -1.14 -1.66 119.26 120.96 1xck h ALA 511 Ca 0.11 -0.17 -0.04 0.00 0.00 0.00 0.00 54.91 54.81 1xck h ALA 511 Cb 0.61 -0.29 -0.04 0.00 0.00 0.00 0.00 17.79 18.07 1xck h ALA 511 CO 0.04 0.55 0.38 0.78 0.00 0.00 0.00 179.25 181.00 1xck h GLY 512 N 1.05 1.30 0.94 0.00 0.00 -0.77 -1.79 103.07 103.81 1xck h GLY 512 Ca 0.25 -0.67 -0.02 0.00 0.00 0.00 0.00 47.33 46.89 1xck h GLY 512 CO -0.03 0.63 0.16 1.41 0.00 0.00 0.00 176.54 178.71 1xck h LEU 513 N 1.20 0.52 -0.43 3.11 3.38 -0.76 -2.68 115.31 119.64 1xck h LEU 513 Ca 0.28 -0.16 -0.05 0.00 0.09 0.00 0.00 57.88 58.05 1xck h LEU 513 Cb 0.15 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 40.75 1xck h LEU 513 CO -0.03 0.54 0.08 0.24 0.09 0.00 0.00 178.44 179.36 1xck h MET 514 N 0.47 0.70 -0.34 1.13 2.86 -1.15 -2.40 114.93 116.20 1xck h MET 514 Ca 0.13 -0.18 0.07 0.00 -2.06 0.00 0.00 59.70 57.65 1xck h MET 514 Cb 0.18 -0.09 -0.02 0.00 0.06 0.00 0.00 31.60 31.73 1xck h MET 514 CO -0.01 0.73 0.24 0.82 1.06 0.00 0.00 176.91 179.74 1xck h ILE 515 N 0.56 0.91 -0.91 -1.22 2.04 -1.26 -1.26 117.51 116.37 1xck h ILE 515 Ca 0.13 -0.06 -0.44 0.00 1.00 0.00 0.00 64.86 65.50 1xck h ILE 515 Cb 0.36 0.74 -0.26 0.00 -0.74 0.00 0.00 36.82 36.91 1xck h ILE 515 CO 0.01 0.03 0.54 0.35 0.00 0.00 0.00 178.15 179.08 1xck n THR 516 N -4.47 3.12 -3.96 -0.27 -2.24 -0.92 -4.83 114.28 100.71 1xck n THR 516 Ca 0.04 -1.90 -0.35 0.00 -2.27 0.00 0.00 64.05 59.58 1xck n THR 516 Cb 0.30 -0.44 -0.10 0.00 -2.10 0.00 0.00 70.33 68.00 1xck n THR 516 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 1xck s THR 517 N -3.23 4.86 -0.06 4.28 2.01 -0.48 -4.97 115.64 118.05 1xck s THR 517 Ca 0.56 -0.01 0.09 0.00 0.31 0.00 0.00 61.69 62.64 1xck s THR 517 Cb 0.47 -3.20 -0.13 0.00 0.01 0.00 0.00 72.50 69.65 1xck s THR 517 CO 0.11 0.45 0.21 -0.62 -0.69 0.00 0.00 174.62 174.08 1xck n GLU 518 N 3.61 0.71 -3.84 4.92 -0.58 -1.26 -4.80 120.64 119.39 1xck n GLU 518 Ca -0.16 -0.07 -0.12 0.00 -0.42 0.00 0.00 57.16 56.39 1xck n GLU 518 Cb 0.52 -1.18 -0.11 0.00 -0.57 0.00 0.00 31.44 30.10 1xck n GLU 518 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1xck s MET 520 N -0.52 1.04 -0.12 0.00 -1.94 -0.45 -5.00 119.30 112.31 1xck s MET 520 Ca -0.06 -0.24 0.02 0.00 -1.71 0.00 0.00 55.69 53.70 1xck s MET 520 Cb -0.04 -0.95 0.01 0.00 2.01 0.00 0.00 34.83 35.86 1xck s MET 520 CO 0.01 0.02 -0.19 0.08 -0.01 0.00 0.00 175.02 174.93 1xck s VAL 521 N 0.56 1.79 0.24 -6.03 1.01 -1.26 -1.27 120.40 115.44 1xck s VAL 521 Ca -0.09 -0.82 -0.02 0.00 0.00 0.00 0.00 61.98 61.06 1xck s VAL 521 Cb -0.12 -1.60 -0.03 0.00 0.00 0.00 0.00 36.38 34.63 1xck s VAL 521 CO 0.01 0.50 0.24 0.28 0.00 0.00 0.00 175.10 176.13 1xck s THR 522 N 0.86 0.00 0.72 3.92 -1.32 -0.95 -4.99 115.64 113.89 1xck s THR 522 Ca -0.08 -1.87 -0.11 0.00 -1.21 0.00 0.00 61.69 58.42 1xck s THR 522 Cb -0.15 -2.47 0.02 0.00 -1.51 0.00 0.00 72.50 68.39 1xck s THR 522 CO -0.01 0.00 1.07 -1.81 -2.21 0.00 0.00 174.62 171.66 1xck s ASP 523 N -3.18 5.19 0.05 8.08 1.11 -1.26 -0.60 116.67 126.05 1xck s ASP 523 Ca 0.36 1.46 -0.30 0.00 0.18 0.00 0.00 52.55 54.25 1xck s ASP 523 Cb 0.04 -2.30 -0.04 0.00 1.07 0.00 0.00 42.92 41.69 1xck s ASP 523 CO 0.15 -1.55 1.02 -0.22 1.18 0.00 0.00 175.17 175.75 1xck s LEU 524 N -5.57 4.41 0.00 1.23 2.96 -1.19 -4.47 118.68 116.05 1xck s LEU 524 Ca 0.59 1.78 0.00 0.00 -0.22 0.00 0.00 54.13 56.27 1xck s LEU 524 Cb -0.14 -3.58 0.00 0.00 0.50 0.00 0.00 46.19 42.98 1xck s LEU 524 CO 0.54 -0.25 0.22 -0.81 -1.32 0.00 0.00 176.35 174.73