#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 0.16 -2.35 0.00 0.00 -1.26 -4.93 120.51 112.12 1xck n ALA 3 Ca 0.00 0.43 -0.21 0.00 0.00 0.00 0.00 53.44 53.65 1xck n ALA 3 Cb 0.00 -2.14 -0.04 0.00 0.00 0.00 0.00 19.45 17.28 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 -0.64 2.56 -0.20 0.00 -0.14 -1.26 -3.18 119.74 116.88 1xck s LYS 4 Ca 0.68 -1.47 0.01 0.00 -1.36 0.00 0.00 55.97 53.82 1xck s LYS 4 Cb -0.73 -2.37 0.03 0.00 -1.68 0.00 0.00 37.83 33.07 1xck s LYS 4 CO 0.53 -0.07 -0.16 0.34 -0.76 0.00 0.00 175.35 175.23 1xck s ASP 5 N -4.05 3.55 -0.13 2.83 -1.08 0.16 -4.75 116.67 113.20 1xck s ASP 5 Ca 0.44 -0.79 -0.01 0.00 -0.52 0.00 0.00 52.55 51.68 1xck s ASP 5 Cb -0.04 -1.53 -0.02 0.00 -1.46 0.00 0.00 42.92 39.88 1xck s ASP 5 CO 0.27 -0.05 -0.09 -0.69 0.52 0.00 0.00 175.17 175.12 1xck s VAL 6 N 1.27 3.39 0.06 1.11 1.01 -1.26 -1.88 120.40 124.10 1xck s VAL 6 Ca 0.02 -0.55 0.09 0.00 0.00 0.00 0.00 61.98 61.54 1xck s VAL 6 Cb -0.15 -2.44 -0.03 0.00 0.00 0.00 0.00 36.38 33.77 1xck s VAL 6 CO -0.10 0.52 -0.24 -0.54 0.00 0.00 0.00 175.10 174.74 1xck s LYS 7 N 0.20 1.54 0.33 2.72 1.02 -0.35 -4.98 119.74 120.22 1xck s LYS 7 Ca -0.06 -1.09 0.10 0.00 0.02 0.00 0.00 55.97 54.94 1xck s LYS 7 Cb -0.15 -1.75 -0.06 0.00 -0.52 0.00 0.00 37.83 35.35 1xck s LYS 7 CO 0.04 0.44 -0.11 -0.06 -0.92 0.00 0.00 175.35 174.74 1xck s PHE 8 N -0.87 2.35 0.00 3.18 0.08 -1.26 -0.93 117.98 120.52 1xck s PHE 8 Ca 0.10 -0.48 0.00 0.00 0.12 0.00 0.00 56.93 56.67 1xck s PHE 8 Cb -0.10 -1.29 0.00 0.00 -0.57 0.00 0.00 43.02 41.07 1xck s PHE 8 CO 0.03 0.59 0.00 0.41 -0.10 0.00 0.00 175.22 176.15 1xck n GLY 9 N -0.74 0.96 0.28 4.36 0.00 0.17 -2.02 105.19 108.20 1xck n GLY 9 Ca -0.05 -0.04 0.07 0.00 0.00 0.00 0.00 46.02 46.00 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 -0.14 -0.99 1.61 -0.73 -1.93 0.50 115.58 113.91 1xck h ASN 10 Ca 0.00 0.18 0.11 0.00 1.87 0.00 0.00 56.30 58.46 1xck h ASN 10 Cb 0.00 0.27 -0.08 0.00 0.27 0.00 0.00 38.32 38.78 1xck h ASN 10 CO 0.00 -0.12 0.63 -0.78 -0.37 0.00 0.00 177.43 176.79 1xck h ASP 11 N 0.19 0.93 -0.13 1.15 3.58 -1.89 -0.91 116.42 119.33 1xck h ASP 11 Ca 0.44 0.04 -0.09 0.00 0.42 0.00 0.00 57.03 57.84 1xck h ASP 11 Cb 0.80 -0.15 0.00 0.00 1.72 0.00 0.00 39.33 41.71 1xck h ASP 11 CO -0.60 0.51 -0.28 0.00 -2.88 0.00 0.00 179.24 175.98 1xck h ALA 12 N 1.53 0.22 -0.71 -0.78 0.00 -0.32 -3.20 119.26 116.00 1xck h ALA 12 Ca 0.48 -0.41 -0.03 0.00 0.00 0.00 0.00 54.91 54.96 1xck h ALA 12 Cb 0.45 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.18 1xck h ALA 12 CO -0.25 0.23 0.33 0.00 0.00 0.00 0.00 179.25 179.56 1xck h ARG 13 N 0.03 1.01 -0.53 0.00 3.08 -0.48 -1.86 114.38 115.63 1xck h ARG 13 Ca 0.00 -0.14 -0.07 0.00 0.07 0.00 0.00 59.98 59.84 1xck h ARG 13 Cb 0.88 -0.19 -0.02 0.00 0.08 0.00 0.00 29.97 30.72 1xck h ARG 13 CO 0.06 0.79 0.04 -0.39 -1.07 0.00 0.00 179.97 179.40 1xck h VAL 14 N 1.00 1.25 -0.35 2.04 -1.51 -1.27 -0.78 116.25 116.62 1xck h VAL 14 Ca 0.24 -1.00 0.02 0.00 -1.23 0.00 0.00 66.70 64.74 1xck h VAL 14 Cb 0.11 0.80 -0.03 0.00 -2.13 0.00 0.00 31.29 30.05 1xck h VAL 14 CO -0.03 0.36 0.19 0.11 -1.23 0.00 0.00 177.57 176.97 1xck h LYS 15 N 0.82 0.38 0.30 5.19 1.79 -1.41 0.93 116.57 124.57 1xck h LYS 15 Ca 0.16 -0.02 -0.01 0.00 -2.18 0.00 0.00 60.65 58.59 1xck h LYS 15 Cb 0.44 -0.09 0.00 0.00 -1.58 0.00 0.00 32.23 31.00 1xck h LYS 15 CO 0.02 0.25 -0.14 0.52 -1.08 0.00 0.00 179.45 179.02 1xck h MET 16 N 0.39 -0.38 -0.31 3.15 2.86 -0.92 -1.43 114.93 118.29 1xck h MET 16 Ca 0.14 0.03 0.07 0.00 -2.06 0.00 0.00 59.70 57.88 1xck h MET 16 Cb 0.03 0.09 -0.07 0.00 0.06 0.00 0.00 31.60 31.71 1xck h MET 16 CO -0.08 -0.22 -0.15 1.25 1.06 0.00 0.00 176.91 178.77 1xck h LEU 17 N -0.45 -0.49 -0.79 1.22 5.85 -0.96 0.39 115.31 120.08 1xck h LEU 17 Ca -0.04 0.12 0.17 0.00 0.84 0.00 0.00 57.88 58.97 1xck h LEU 17 Cb 0.34 0.27 -0.11 0.00 0.37 0.00 0.00 40.66 41.53 1xck h LEU 17 CO 0.07 -0.18 0.28 -0.09 -0.34 0.00 0.00 178.44 178.17 1xck h ARG 18 N -0.10 0.35 -0.41 1.25 9.65 -0.67 0.19 114.38 124.64 1xck h ARG 18 Ca 0.16 -0.02 -0.11 0.00 -1.10 0.00 0.00 59.98 58.90 1xck h ARG 18 Cb 0.34 -0.08 -0.01 0.00 -1.39 0.00 0.00 29.97 28.83 1xck h ARG 18 CO -0.37 0.23 -0.18 0.78 2.80 0.00 0.00 179.97 183.23 1xck h GLY 19 N 0.36 0.92 2.00 2.80 0.00 0.09 -2.83 103.07 106.42 1xck h GLY 19 Ca 0.45 -0.82 -0.01 0.00 0.00 0.00 0.00 47.33 46.95 1xck h GLY 19 CO -0.48 0.74 -0.06 -0.39 0.00 0.00 0.00 176.54 176.36 1xck h VAL 20 N 0.66 0.12 -0.27 4.60 -1.51 0.21 -2.84 116.25 117.21 1xck h VAL 20 Ca 0.09 -0.83 -0.12 0.00 -1.23 0.00 0.00 66.70 64.61 1xck h VAL 20 Cb 0.74 1.75 -0.01 0.00 -2.13 0.00 0.00 31.29 31.63 1xck h VAL 20 CO 0.06 0.05 -0.33 0.78 -1.23 0.00 0.00 177.57 176.90 1xck h ASN 21 N 0.00 0.61 -0.02 4.19 2.35 -0.45 0.28 115.58 122.54 1xck h ASN 21 Ca -0.00 -0.25 -0.00 0.00 -0.55 0.00 0.00 56.30 55.50 1xck h ASN 21 Cb 0.74 -0.17 -0.00 0.00 0.05 0.00 0.00 38.32 38.94 1xck h ASN 21 CO 0.01 0.90 0.00 0.58 -1.65 0.00 0.00 177.43 177.27 1xck h VAL 22 N 0.50 1.25 0.06 2.81 2.07 -1.33 0.37 116.25 121.97 1xck h VAL 22 Ca 0.06 -0.74 0.02 0.00 0.82 0.00 0.00 66.70 66.85 1xck h VAL 22 Cb 0.82 1.70 -0.02 0.00 -1.52 0.00 0.00 31.29 32.27 1xck h VAL 22 CO 0.07 0.20 -0.15 0.25 0.02 0.00 0.00 177.57 177.96 1xck h LEU 23 N -0.26 -0.41 -0.42 2.57 5.85 -1.34 -1.43 115.31 119.86 1xck h LEU 23 Ca 0.01 0.05 -0.03 0.00 0.84 0.00 0.00 57.88 58.75 1xck h LEU 23 Cb 0.32 0.16 -0.02 0.00 0.37 0.00 0.00 40.66 41.49 1xck h LEU 23 CO 0.00 -0.21 0.15 0.00 -0.34 0.00 0.00 178.44 178.04 1xck h ALA 24 N 0.62 0.55 -0.51 1.25 0.00 -0.42 -1.97 119.26 118.78 1xck h ALA 24 Ca 0.03 -0.16 -0.04 0.00 0.00 0.00 0.00 54.91 54.74 1xck h ALA 24 Cb 0.31 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 1xck h ALA 24 CO -0.10 0.19 0.15 -0.44 0.00 0.00 0.00 179.25 179.05 1xck h ASP 25 N 0.54 0.69 -0.10 0.00 3.32 -0.79 0.31 116.42 120.40 1xck h ASP 25 Ca 0.14 -0.10 -0.17 0.00 0.02 0.00 0.00 57.03 56.92 1xck h ASP 25 Cb 0.24 -0.18 -0.00 0.00 0.22 0.00 0.00 39.33 39.60 1xck h ASP 25 CO -0.01 0.66 -0.52 0.00 -1.72 0.00 0.00 179.24 177.66 1xck h ALA 26 N 1.43 0.64 0.20 3.45 0.00 -1.10 -3.33 119.26 120.55 1xck h ALA 26 Ca 0.17 -0.50 -0.32 0.00 0.00 0.00 0.00 54.91 54.26 1xck h ALA 26 Cb 0.23 -0.09 0.02 0.00 0.00 0.00 0.00 17.79 17.95 1xck h ALA 26 CO -0.01 0.68 -1.52 0.28 0.00 0.00 0.00 179.25 178.68 1xck h VAL 27 N 0.53 1.13 0.00 0.00 2.07 -0.94 -3.37 116.25 115.67 1xck h VAL 27 Ca 0.02 -2.56 0.00 0.00 0.82 0.00 0.00 66.70 64.97 1xck h VAL 27 Cb 1.08 2.90 0.00 0.00 -1.52 0.00 0.00 31.29 33.76 1xck h VAL 27 CO 0.11 0.81 0.00 0.07 0.02 0.00 0.00 177.57 178.57 1xck h LYS 28 N 0.02 0.00 0.00 1.57 2.10 -0.51 -2.38 116.57 117.36 1xck h LYS 28 Ca -0.29 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.36 1xck h LYS 28 Cb 2.03 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 33.36 1xck h LYS 28 CO 0.19 0.00 0.00 1.33 -2.00 0.00 0.00 179.45 178.97 1xck n VAL 29 N -2.36 0.88 0.85 0.07 0.24 -1.25 -2.19 118.33 114.56 1xck n VAL 29 Ca -0.00 0.22 0.12 0.00 -2.04 0.00 0.00 64.34 62.64 1xck n VAL 29 Cb 0.13 -1.08 0.22 0.00 -1.47 0.00 0.00 33.84 31.64 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 -1.94 0.20 -2.74 3.34 -2.24 -0.90 0.46 114.28 110.46 1xck n THR 30 Ca 0.03 -0.54 -0.40 0.00 -2.27 0.00 0.00 64.05 60.86 1xck n THR 30 Cb 0.21 1.08 -0.05 0.00 -2.10 0.00 0.00 70.33 69.47 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 -1.78 4.58 0.00 3.22 2.96 -0.93 -4.49 118.68 122.24 1xck s LEU 31 Ca 0.33 1.87 0.00 0.00 -0.22 0.00 0.00 54.13 56.12 1xck s LEU 31 Cb 0.21 -3.60 0.00 0.00 0.50 0.00 0.00 46.19 43.30 1xck s LEU 31 CO 0.31 0.06 0.00 0.61 -1.32 0.00 0.00 176.35 176.01 1xck n GLY 32 N 1.83 -2.65 0.18 7.98 0.00 -1.26 -3.97 105.19 107.31 1xck n GLY 32 Ca -0.00 -1.78 0.07 0.00 0.00 0.00 0.00 46.02 44.30 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 0.00 -0.74 1.61 0.13 -1.91 -3.18 132.00 127.90 1xck h PRO 33 Ca 0.00 0.00 -0.34 0.00 -0.87 0.00 0.00 66.00 64.79 1xck h PRO 33 Cb 0.00 0.00 -0.20 0.00 0.13 0.00 0.00 31.00 30.93 1xck h PRO 33 CO 0.00 0.33 0.35 1.63 -0.23 0.00 0.00 178.00 180.08 1xck n LYS 34 N -3.27 2.48 -1.73 0.86 4.76 -1.26 -5.00 118.16 114.99 1xck n LYS 34 Ca 0.02 -3.07 -0.38 0.00 -2.87 0.00 0.00 58.31 52.01 1xck n LYS 34 Cb 0.59 -2.08 0.06 0.00 -1.84 0.00 0.00 35.03 31.76 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 -0.91 0.62 3.96 0.72 0.00 -1.21 -4.62 105.19 103.76 1xck n GLY 35 Ca 0.47 -0.09 -0.24 0.00 0.00 0.00 0.00 46.02 46.16 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 -3.19 1.95 0.02 1.61 1.81 0.17 -4.92 118.95 116.41 1xck s ARG 36 Ca 0.79 -0.72 -0.08 0.00 -1.72 0.00 0.00 55.73 53.99 1xck s ARG 36 Cb -0.39 -2.28 -0.05 0.00 -0.45 0.00 0.00 34.95 31.77 1xck s ARG 36 CO 0.43 -1.29 0.32 -0.80 -0.68 0.00 0.00 175.30 173.28 1xck s ASN 37 N -4.61 6.57 -0.09 0.23 0.02 -1.26 -4.37 114.94 111.43 1xck s ASN 37 Ca 0.63 0.67 0.04 0.00 -1.02 0.00 0.00 52.86 53.18 1xck s ASN 37 Cb -0.08 -2.13 -0.01 0.00 0.02 0.00 0.00 41.25 39.05 1xck s ASN 37 CO 0.44 0.25 -0.23 -0.69 0.02 0.00 0.00 177.10 176.88 1xck s VAL 38 N -1.29 2.20 -0.28 1.60 1.01 0.58 -4.93 120.40 119.29 1xck s VAL 38 Ca 0.28 -0.99 -0.11 0.00 0.00 0.00 0.00 61.98 61.16 1xck s VAL 38 Cb -0.14 -1.84 -0.05 0.00 0.00 0.00 0.00 36.38 34.36 1xck s VAL 38 CO 0.16 0.56 0.19 -0.69 0.00 0.00 0.00 175.10 175.32 1xck s VAL 39 N 0.16 5.30 -0.26 2.92 1.01 -1.26 -1.15 120.40 127.12 1xck s VAL 39 Ca -0.13 0.15 -0.07 0.00 0.00 0.00 0.00 61.98 61.93 1xck s VAL 39 Cb -0.16 -3.53 -0.02 0.00 0.00 0.00 0.00 36.38 32.67 1xck s VAL 39 CO 0.07 0.24 0.08 -0.76 0.00 0.00 0.00 175.10 174.73 1xck s LEU 40 N 1.76 3.58 0.23 3.92 1.43 0.12 -4.93 118.68 124.79 1xck s LEU 40 Ca 0.07 -0.34 -0.30 0.00 -1.03 0.00 0.00 54.13 52.54 1xck s LEU 40 Cb -0.16 -1.92 -0.09 0.00 0.03 0.00 0.00 46.19 44.05 1xck s LEU 40 CO 0.11 -0.08 0.99 -0.62 0.23 0.00 0.00 176.35 176.98 1xck s ASP 41 N 1.59 7.51 -0.07 2.29 2.15 -1.26 -0.35 116.67 128.53 1xck s ASP 41 Ca 0.06 2.01 0.05 0.00 0.43 0.00 0.00 52.55 55.10 1xck s ASP 41 Cb -0.16 -2.61 -0.01 0.00 -0.30 0.00 0.00 42.92 39.84 1xck s ASP 41 CO 0.04 0.03 -0.24 -0.54 -0.17 0.00 0.00 175.17 174.29 1xck s LYS 42 N -1.02 2.67 0.50 4.34 1.02 -1.26 -4.93 119.74 121.06 1xck s LYS 42 Ca 0.43 -0.89 0.25 0.00 0.02 0.00 0.00 55.97 55.78 1xck s LYS 42 Cb -0.27 -2.21 1.33 0.00 -0.52 0.00 0.00 37.83 36.16 1xck s LYS 42 CO 0.34 0.35 1.93 0.66 -0.92 0.00 0.00 175.35 177.71 1xck h SER 43 N 6.18 0.12 -3.57 2.83 4.64 -1.96 -3.39 113.55 118.39 1xck h SER 43 Ca -0.30 0.01 -0.65 0.00 -0.47 0.00 0.00 61.79 60.38 1xck h SER 43 Cb 1.19 -0.01 -0.23 0.00 -0.31 0.00 0.00 62.40 63.03 1xck h SER 43 CO 0.47 0.05 -0.64 -0.36 -0.87 0.00 0.00 176.83 175.48 1xck s PHE 44 N -5.12 3.06 0.00 4.77 0.08 -1.26 -5.03 117.98 114.49 1xck s PHE 44 Ca -0.06 -0.49 0.00 0.00 0.12 0.00 0.00 56.93 56.50 1xck s PHE 44 Cb 0.21 -2.19 0.00 0.00 -0.57 0.00 0.00 43.02 40.46 1xck s PHE 44 CO 0.76 -0.36 0.00 0.41 -0.10 0.00 0.00 175.22 175.93 1xck n GLY 45 N 4.79 -0.20 3.88 4.36 0.00 -1.26 -4.90 105.19 111.85 1xck n GLY 45 Ca -0.17 -1.19 -0.30 0.00 0.00 0.00 0.00 46.02 44.36 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 -1.32 3.39 0.97 4.61 0.00 -1.26 -4.86 121.76 123.29 1xck s ALA 46 Ca 0.00 -0.24 -0.12 0.00 0.00 0.00 0.00 51.96 51.60 1xck s ALA 46 Cb 0.00 -2.65 0.17 0.00 0.00 0.00 0.00 23.12 20.65 1xck s ALA 46 CO 0.00 0.05 1.08 -2.14 0.00 0.00 0.00 175.76 174.75 1xck s PRO 47 N -3.76 0.61 -0.19 0.00 0.02 -1.26 -4.61 135.00 125.82 1xck s PRO 47 Ca 0.50 0.78 -0.08 0.00 0.02 0.00 0.00 61.00 62.22 1xck s PRO 47 Cb -0.10 -1.74 -0.04 0.00 0.02 0.00 0.00 34.50 32.64 1xck s PRO 47 CO 0.30 -2.67 0.08 0.99 -0.33 0.00 0.00 177.00 175.37 1xck s THR 48 N -2.84 4.93 -0.15 0.99 2.01 0.52 -4.93 115.64 116.16 1xck s THR 48 Ca 0.65 0.01 -0.05 0.00 0.31 0.00 0.00 61.69 62.61 1xck s THR 48 Cb -0.20 -3.23 -0.04 0.00 0.01 0.00 0.00 72.50 69.05 1xck s THR 48 CO 0.58 0.46 0.03 -0.63 -0.69 0.00 0.00 174.62 174.37 1xck s ILE 49 N 0.35 4.49 0.10 1.82 1.01 -1.26 0.13 121.20 127.84 1xck s ILE 49 Ca 0.04 -0.15 -0.13 0.00 0.00 0.00 0.00 60.65 60.41 1xck s ILE 49 Cb -0.12 -2.97 0.02 0.00 0.01 0.00 0.00 42.46 39.40 1xck s ILE 49 CO -0.00 0.51 0.31 0.28 0.00 0.00 0.00 174.94 176.04 1xck s THR 50 N -0.03 0.10 -0.03 2.92 -1.32 -0.30 -4.96 115.64 112.03 1xck s THR 50 Ca 0.04 -0.82 0.04 0.00 -1.21 0.00 0.00 61.69 59.75 1xck s THR 50 Cb -0.13 -1.19 0.07 0.00 -1.51 0.00 0.00 72.50 69.75 1xck s THR 50 CO 0.02 -0.45 1.00 0.29 -2.21 0.00 0.00 174.62 173.26 1xck n LYS 51 N -0.01 2.31 -3.04 7.08 5.02 -1.26 -0.31 118.16 127.96 1xck n LYS 51 Ca -0.16 -1.67 -0.43 0.00 -2.02 0.00 0.00 58.31 54.03 1xck n LYS 51 Cb 0.62 -1.07 -0.06 0.00 -0.02 0.00 0.00 35.03 34.51 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 -1.37 6.28 0.44 4.39 2.15 -1.26 -4.82 116.67 122.48 1xck s ASP 52 Ca 0.07 -0.62 0.18 0.00 0.43 0.00 0.00 52.55 52.61 1xck s ASP 52 Cb 0.07 -2.35 1.11 0.00 -0.30 0.00 0.00 42.92 41.45 1xck s ASP 52 CO 0.01 -0.98 1.91 1.23 -0.17 0.00 0.00 175.17 177.16 1xck h GLY 53 N 10.13 0.65 1.27 2.66 0.00 -1.90 -0.99 103.07 114.89 1xck h GLY 53 Ca -0.27 -0.16 -0.12 0.00 0.00 0.00 0.00 47.33 46.79 1xck h GLY 53 CO 0.99 0.04 -0.22 -2.08 0.00 0.00 0.00 176.54 175.28 1xck h VAL 54 N 0.36 1.27 -0.01 4.60 2.07 -1.96 -0.21 116.25 122.37 1xck h VAL 54 Ca 0.39 -1.34 -0.00 0.00 0.82 0.00 0.00 66.70 66.56 1xck h VAL 54 Cb 0.98 1.18 -0.00 0.00 -1.52 0.00 0.00 31.29 31.92 1xck h VAL 54 CO -0.12 0.45 0.00 0.28 0.02 0.00 0.00 177.57 178.21 1xck h SER 55 N 0.73 0.02 -0.15 0.57 0.02 -1.62 -1.95 113.55 111.16 1xck h SER 55 Ca 0.10 -0.29 0.04 0.00 -0.84 0.00 0.00 61.79 60.80 1xck h SER 55 Cb 0.75 -0.01 -0.04 0.00 0.14 0.00 0.00 62.40 63.24 1xck h SER 55 CO 0.06 0.31 -0.11 0.58 -1.14 0.00 0.00 176.83 176.53 1xck h VAL 56 N -0.27 0.69 -0.93 2.27 2.07 -1.31 -2.46 116.25 116.31 1xck h VAL 56 Ca 0.00 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.62 1xck h VAL 56 Cb 0.30 0.69 -0.07 0.00 -1.52 0.00 0.00 31.29 30.68 1xck h VAL 56 CO 0.00 0.00 0.57 0.00 0.02 0.00 0.00 177.57 178.16 1xck h ALA 57 N 1.00 1.33 -0.94 1.67 0.00 -0.95 -1.65 119.26 119.73 1xck h ALA 57 Ca 0.09 0.01 0.14 0.00 0.00 0.00 0.00 54.91 55.15 1xck h ALA 57 Cb 0.25 -0.21 -0.08 0.00 0.00 0.00 0.00 17.79 17.75 1xck h ALA 57 CO -0.22 0.24 0.60 -0.09 0.00 0.00 0.00 179.25 179.78 1xck h ARG 58 N 0.97 0.77 0.00 0.00 2.43 -0.87 -2.02 114.38 115.67 1xck h ARG 58 Ca 0.43 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.56 1xck h ARG 58 Cb 0.33 -0.17 0.00 0.00 -0.42 0.00 0.00 29.97 29.71 1xck h ARG 58 CO -0.23 0.51 0.00 0.39 -1.51 0.00 0.00 179.97 179.14 1xck n GLU 59 N -4.59 0.06 -2.66 0.20 -0.58 -0.63 -4.85 120.64 107.59 1xck n GLU 59 Ca 0.18 0.09 -0.43 0.00 -0.42 0.00 0.00 57.16 56.58 1xck n GLU 59 Cb 0.44 -1.58 -0.02 0.00 -0.57 0.00 0.00 31.44 29.71 1xck n GLU 59 CO 0.00 0.00 0.00 0.42 -0.48 0.00 0.00 177.13 177.07 1xck s ILE 60 N -3.03 4.53 -0.13 -3.67 -1.09 -0.76 -4.99 121.20 112.06 1xck s ILE 60 Ca 0.12 1.70 -0.06 0.00 -2.23 0.00 0.00 60.65 60.18 1xck s ILE 60 Cb 0.16 -4.39 0.06 0.00 -1.58 0.00 0.00 42.46 36.70 1xck s ILE 60 CO 0.51 -0.46 0.30 -0.70 -1.23 0.00 0.00 174.94 173.36 1xck s GLU 61 N 3.59 0.25 0.08 2.79 2.12 -1.26 -4.89 118.70 121.37 1xck s GLU 61 Ca 0.44 0.68 0.01 0.00 0.36 0.00 0.00 54.97 56.46 1xck s GLU 61 Cb -0.12 -0.05 -0.04 0.00 0.26 0.00 0.00 34.13 34.18 1xck s GLU 61 CO 0.15 -0.19 0.20 -0.51 -0.54 0.00 0.00 175.26 174.36 1xck s LEU 62 N 1.63 4.27 0.08 2.70 1.43 -1.26 -5.04 118.68 122.49 1xck s LEU 62 Ca -0.07 0.21 -0.16 0.00 -1.03 0.00 0.00 54.13 53.08 1xck s LEU 62 Cb -0.10 -2.87 -0.11 0.00 0.03 0.00 0.00 46.19 43.13 1xck s LEU 62 CO -0.10 0.15 1.38 -0.08 0.23 0.00 0.00 176.35 177.93 1xck h GLU 63 N 2.98 0.61 -6.38 1.70 4.81 -2.00 -3.42 114.58 112.88 1xck h GLU 63 Ca -0.46 -0.34 -0.54 0.00 -0.13 0.00 0.00 59.36 57.89 1xck h GLU 63 Cb 1.17 0.02 0.01 0.00 0.63 0.00 0.00 28.75 30.58 1xck h GLU 63 CO 0.73 0.95 1.02 0.34 -0.73 0.00 0.00 179.01 181.33 1xck s ASP 64 N -6.49 6.64 0.23 1.04 -1.08 -1.26 -4.89 116.67 110.85 1xck s ASP 64 Ca -0.13 2.38 -0.07 0.00 -0.52 0.00 0.00 52.55 54.21 1xck s ASP 64 Cb 0.08 -2.55 0.33 0.00 -1.46 0.00 0.00 42.92 39.31 1xck s ASP 64 CO 0.81 -0.89 1.79 0.11 0.52 0.00 0.00 175.17 177.51 1xck h LYS 65 N 8.78 0.62 0.03 4.34 1.79 -1.94 -0.27 116.57 129.91 1xck h LYS 65 Ca -0.41 -0.04 -0.00 0.00 -2.18 0.00 0.00 60.65 58.02 1xck h LYS 65 Cb 1.19 -0.14 0.00 0.00 -1.58 0.00 0.00 32.23 31.70 1xck h LYS 65 CO 0.93 0.41 -0.01 0.74 -1.08 0.00 0.00 179.45 180.44 1xck h PHE 66 N 0.64 -0.03 -0.99 -1.35 0.04 -1.93 -1.96 116.94 111.35 1xck h PHE 66 Ca 0.35 -0.00 0.09 0.00 2.80 0.00 0.00 57.97 61.20 1xck h PHE 66 Cb 0.33 0.01 -0.07 0.00 2.20 0.00 0.00 35.95 38.42 1xck h PHE 66 CO -0.10 0.38 0.64 0.93 -0.60 0.00 0.00 178.31 179.56 1xck h GLU 67 N -0.45 1.05 -0.81 1.51 5.08 -1.63 -1.36 114.58 117.97 1xck h GLU 67 Ca -0.00 -0.06 -0.04 0.00 -1.00 0.00 0.00 59.36 58.25 1xck h GLU 67 Cb 0.43 -0.24 -0.04 0.00 0.50 0.00 0.00 28.75 29.40 1xck h GLU 67 CO 0.01 0.69 0.34 -0.97 -1.00 0.00 0.00 179.01 178.08 1xck h ASN 68 N 1.08 1.10 -0.77 1.42 -1.24 -0.91 -2.07 115.58 114.20 1xck h ASN 68 Ca 0.46 -0.16 0.00 0.00 0.71 0.00 0.00 56.30 57.31 1xck h ASN 68 Cb 0.31 -0.29 -0.04 0.00 0.73 0.00 0.00 38.32 39.04 1xck h ASN 68 CO -0.21 0.96 0.49 0.24 -1.29 0.00 0.00 177.43 177.62 1xck h MET 69 N 1.17 1.03 -0.22 6.67 2.86 -0.46 0.11 114.93 126.09 1xck h MET 69 Ca 0.27 -0.08 -0.02 0.00 -2.06 0.00 0.00 59.70 57.82 1xck h MET 69 Cb 0.19 -0.22 -0.01 0.00 0.06 0.00 0.00 31.60 31.61 1xck h MET 69 CO -0.03 0.70 0.06 0.78 1.06 0.00 0.00 176.91 179.48 1xck h GLY 70 N 1.06 0.37 0.88 8.32 0.00 -0.94 -1.15 103.07 111.60 1xck h GLY 70 Ca 0.28 -0.22 -0.02 0.00 0.00 0.00 0.00 47.33 47.37 1xck h GLY 70 CO -0.06 0.21 0.07 0.00 0.00 0.00 0.00 176.54 176.76 1xck h ALA 71 N 0.88 0.31 -0.10 3.60 0.00 -0.87 -2.82 119.26 120.26 1xck h ALA 71 Ca 0.07 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 1xck h ALA 71 Cb 0.25 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 1xck h ALA 71 CO -0.00 -0.05 0.02 1.96 0.00 0.00 0.00 179.25 181.17 1xck h GLN 72 N 0.21 0.13 0.06 0.00 1.08 -0.73 -0.63 115.11 115.23 1xck h GLN 72 Ca 0.08 -0.01 -0.00 0.00 -1.45 0.00 0.00 58.65 57.26 1xck h GLN 72 Cb 0.25 -0.03 0.00 0.00 -0.05 0.00 0.00 27.48 27.65 1xck h GLN 72 CO -0.00 0.13 -0.03 0.52 -0.95 0.00 0.00 178.83 178.50 1xck h MET 73 N 0.14 -0.07 -0.01 1.46 2.86 -0.95 -1.22 114.93 117.12 1xck h MET 73 Ca 0.03 0.01 -0.15 0.00 -2.06 0.00 0.00 59.70 57.53 1xck h MET 73 Cb 0.07 0.02 -0.02 0.00 0.06 0.00 0.00 31.60 31.72 1xck h MET 73 CO -0.00 0.30 -0.68 -0.39 1.06 0.00 0.00 176.91 177.19 1xck h VAL 74 N -0.46 1.47 -0.57 -2.22 -1.51 -1.42 -2.92 116.25 108.62 1xck h VAL 74 Ca -0.01 -2.28 0.05 0.00 -1.23 0.00 0.00 66.70 63.23 1xck h VAL 74 Cb 0.41 2.22 -0.05 0.00 -2.13 0.00 0.00 31.29 31.74 1xck h VAL 74 CO 0.01 0.66 0.30 0.50 -1.23 0.00 0.00 177.57 177.81 1xck h LYS 75 N 0.05 0.56 -0.47 5.19 3.64 -1.07 0.19 116.57 124.66 1xck h LYS 75 Ca -0.01 -0.03 -0.10 0.00 -1.27 0.00 0.00 60.65 59.23 1xck h LYS 75 Cb 1.21 -0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 32.89 1xck h LYS 75 CO 0.09 0.37 -0.12 1.49 -2.27 0.00 0.00 179.45 179.02 1xck h GLU 76 N 0.58 0.90 -0.13 1.90 4.81 -1.08 -2.08 114.58 119.48 1xck h GLU 76 Ca 0.25 -0.35 -0.18 0.00 -0.13 0.00 0.00 59.36 58.95 1xck h GLU 76 Cb 0.14 -0.05 0.01 0.00 0.63 0.00 0.00 28.75 29.48 1xck h GLU 76 CO -0.16 1.00 -0.64 0.28 -0.73 0.00 0.00 179.01 178.76 1xck h VAL 77 N 0.75 1.32 -0.34 0.32 2.07 -1.31 -3.16 116.25 115.90 1xck h VAL 77 Ca 0.12 -1.89 -0.03 0.00 0.82 0.00 0.00 66.70 65.72 1xck h VAL 77 Cb 0.67 2.07 -0.02 0.00 -1.52 0.00 0.00 31.29 32.49 1xck h VAL 77 CO 0.05 0.59 0.09 0.00 0.02 0.00 0.00 177.57 178.31 1xck h ALA 78 N 0.52 1.52 -0.39 1.67 0.00 -0.62 -1.52 119.26 120.43 1xck h ALA 78 Ca -0.04 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.73 1xck h ALA 78 Cb 1.27 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.90 1xck h ALA 78 CO 0.13 0.36 0.21 0.66 0.00 0.00 0.00 179.25 180.61 1xck h SER 79 N 0.49 0.46 -0.40 0.00 4.64 -1.34 -1.72 113.55 115.69 1xck h SER 79 Ca 0.12 -0.03 -0.00 0.00 -0.47 0.00 0.00 61.79 61.41 1xck h SER 79 Cb 0.18 -0.12 -0.02 0.00 -0.31 0.00 0.00 62.40 62.13 1xck h SER 79 CO -0.00 0.38 0.24 0.11 -0.87 0.00 0.00 176.83 176.68 1xck h LYS 80 N 0.53 0.56 -0.47 4.77 1.57 -1.29 -1.83 116.57 120.41 1xck h LYS 80 Ca 0.14 -0.05 0.02 0.00 -1.87 0.00 0.00 60.65 58.89 1xck h LYS 80 Cb 0.02 -0.12 -0.03 0.00 0.08 0.00 0.00 32.23 32.18 1xck h LYS 80 CO -0.02 0.40 0.28 0.00 -0.57 0.00 0.00 179.45 179.54 1xck h ALA 81 N 1.69 0.60 -0.57 3.86 0.00 -1.33 0.94 119.26 124.45 1xck h ALA 81 Ca 0.15 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 55.01 1xck h ALA 81 Cb -0.01 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 1xck h ALA 81 CO -0.03 -0.03 0.19 -0.97 0.00 0.00 0.00 179.25 178.41 1xck h ASN 82 N 0.56 0.82 -0.58 0.00 -1.24 -1.42 -0.97 115.58 112.75 1xck h ASN 82 Ca 0.19 -0.20 0.00 0.00 0.71 0.00 0.00 56.30 57.00 1xck h ASN 82 Cb 0.01 -0.22 -0.03 0.00 0.73 0.00 0.00 38.32 38.82 1xck h ASN 82 CO -0.08 0.80 0.36 0.44 -1.29 0.00 0.00 177.43 177.66 1xck h ASP 83 N 0.80 0.68 -0.20 1.15 3.32 -0.81 0.67 116.42 122.03 1xck h ASP 83 Ca 0.19 -0.04 -0.05 0.00 0.02 0.00 0.00 57.03 57.14 1xck h ASP 83 Cb 0.27 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 39.64 1xck h ASP 83 CO -0.01 0.52 -0.08 0.00 -1.72 0.00 0.00 179.24 177.95 1xck h ALA 84 N 1.19 0.28 0.00 3.45 0.00 -0.54 -3.38 119.26 120.27 1xck h ALA 84 Ca 0.21 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1xck h ALA 84 Cb -0.05 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.67 1xck h ALA 84 CO -0.04 0.09 0.00 0.00 0.00 0.00 0.00 179.25 179.30 1xck n ALA 85 N -2.39 2.36 -1.02 0.00 0.00 -0.40 -5.00 120.51 114.07 1xck n ALA 85 Ca -0.05 -0.64 -0.01 0.00 0.00 0.00 0.00 53.44 52.74 1xck n ALA 85 Cb 0.31 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 19.75 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 0.48 3.62 0.00 0.00 0.23 -4.65 105.19 104.73 1xck n GLY 86 Ca 0.00 -0.38 0.03 0.00 0.00 0.00 0.00 46.02 45.67 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 -2.37 -0.02 0.00 1.61 2.15 -1.23 -4.91 116.67 111.90 1xck s ASP 87 Ca 0.00 -0.06 0.00 0.00 0.43 0.00 0.00 52.55 52.92 1xck s ASP 87 Cb 0.00 0.06 0.00 0.00 -0.30 0.00 0.00 42.92 42.68 1xck s ASP 87 CO 0.00 -0.12 0.00 0.61 -0.17 0.00 0.00 175.17 175.49 1xck n GLY 88 N -0.54 0.61 0.23 2.66 0.00 -1.26 -3.69 105.19 103.20 1xck n GLY 88 Ca -0.08 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.79 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 0.63 -0.35 2.61 2.02 -1.89 0.63 112.91 116.56 1xck h THR 89 Ca 0.00 -0.08 0.05 0.00 0.77 0.00 0.00 66.41 67.15 1xck h THR 89 Cb 0.00 0.68 -0.04 0.00 -1.74 0.00 0.00 68.15 67.04 1xck h THR 89 CO 0.00 0.02 0.09 0.74 0.37 0.00 0.00 175.52 176.73 1xck h THR 90 N -0.55 0.85 -0.02 3.16 2.02 -1.90 -0.55 112.91 115.91 1xck h THR 90 Ca -0.05 -0.07 0.03 0.00 0.77 0.00 0.00 66.41 67.09 1xck h THR 90 Cb 0.42 0.61 -0.05 0.00 -1.74 0.00 0.00 68.15 67.39 1xck h THR 90 CO 0.09 0.04 -0.25 0.74 0.37 0.00 0.00 175.52 176.51 1xck h THR 91 N 0.22 0.43 -0.97 3.16 2.02 -1.94 0.11 112.91 115.94 1xck h THR 91 Ca 0.17 0.00 0.15 0.00 0.77 0.00 0.00 66.41 67.50 1xck h THR 91 Cb 0.17 0.43 -0.10 0.00 -1.74 0.00 0.00 68.15 66.92 1xck h THR 91 CO -0.20 0.00 0.58 0.00 0.37 0.00 0.00 175.52 176.27 1xck h ALA 92 N 0.48 1.52 0.04 6.16 0.00 -0.47 0.91 119.26 127.90 1xck h ALA 92 Ca 0.07 0.06 -0.00 0.00 0.00 0.00 0.00 54.91 55.03 1xck h ALA 92 Cb 0.47 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.14 1xck h ALA 92 CO -0.23 0.05 -0.02 1.15 0.00 0.00 0.00 179.25 180.19 1xck h THR 93 N 0.82 1.13 -0.11 0.00 2.02 0.51 0.12 112.91 117.40 1xck h THR 93 Ca 0.52 -0.56 -0.07 0.00 0.77 0.00 0.00 66.41 67.08 1xck h THR 93 Cb 0.69 1.50 -0.01 0.00 -1.74 0.00 0.00 68.15 68.58 1xck h THR 93 CO -0.33 0.14 -0.23 -0.37 0.37 0.00 0.00 175.52 175.09 1xck h VAL 94 N -0.30 1.22 -0.27 3.16 -1.51 -0.07 -1.21 116.25 117.27 1xck h VAL 94 Ca -0.01 -1.02 -0.04 0.00 -1.23 0.00 0.00 66.70 64.40 1xck h VAL 94 Cb 0.28 1.40 -0.01 0.00 -2.13 0.00 0.00 31.29 30.82 1xck h VAL 94 CO 0.01 0.31 0.01 -0.07 -1.23 0.00 0.00 177.57 176.60 1xck h LEU 95 N 0.18 0.45 -0.69 4.19 3.38 -0.68 -1.95 115.31 120.19 1xck h LEU 95 Ca 0.03 -0.29 0.06 0.00 0.09 0.00 0.00 57.88 57.76 1xck h LEU 95 Cb 0.52 -0.12 -0.05 0.00 0.09 0.00 0.00 40.66 41.09 1xck h LEU 95 CO 0.04 0.63 0.39 0.00 0.09 0.00 0.00 178.44 179.59 1xck h ALA 96 N 0.83 0.93 -0.50 1.53 0.00 -0.27 -0.09 119.26 121.69 1xck h ALA 96 Ca 0.08 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 1xck h ALA 96 Cb 0.39 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 1xck h ALA 96 CO 0.01 0.09 0.28 0.37 0.00 0.00 0.00 179.25 179.99 1xck h GLN 97 N 0.73 0.70 -0.15 0.00 4.15 -1.05 -0.31 115.11 119.18 1xck h GLN 97 Ca 0.30 -0.08 -0.00 0.00 0.77 0.00 0.00 58.65 59.64 1xck h GLN 97 Cb 0.17 -0.14 -0.01 0.00 0.21 0.00 0.00 27.48 27.71 1xck h GLN 97 CO -0.17 0.54 0.09 0.00 -1.93 0.00 0.00 178.83 177.36 1xck h ALA 98 N 1.12 0.19 -0.22 3.38 0.00 -0.61 -0.33 119.26 122.79 1xck h ALA 98 Ca 0.18 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 55.01 1xck h ALA 98 Cb 0.05 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 1xck h ALA 98 CO -0.03 -0.28 0.04 0.82 0.00 0.00 0.00 179.25 179.81 1xck h ILE 99 N 0.16 1.22 -0.59 0.00 2.04 -0.89 -2.91 117.51 116.53 1xck h ILE 99 Ca 0.05 -0.72 -0.00 0.00 1.00 0.00 0.00 64.86 65.19 1xck h ILE 99 Cb 0.06 1.27 -0.03 0.00 -0.74 0.00 0.00 36.82 37.37 1xck h ILE 99 CO -0.01 0.23 0.35 0.40 0.00 0.00 0.00 178.15 179.12 1xck h ILE 100 N 0.17 1.18 0.47 -0.67 2.04 -0.94 0.99 117.51 120.75 1xck h ILE 100 Ca 0.07 -0.40 -0.02 0.00 1.00 0.00 0.00 64.86 65.51 1xck h ILE 100 Cb 0.30 0.38 -0.00 0.00 -0.74 0.00 0.00 36.82 36.75 1xck h ILE 100 CO 0.00 0.18 -0.27 0.74 0.00 0.00 0.00 178.15 178.81 1xck h THR 101 N 0.80 0.44 -0.39 -0.27 2.02 -1.02 0.36 112.91 114.86 1xck h THR 101 Ca 0.21 0.00 -0.12 0.00 0.77 0.00 0.00 66.41 67.27 1xck h THR 101 Cb -0.01 0.44 -0.01 0.00 -1.74 0.00 0.00 68.15 66.83 1xck h THR 101 CO -0.04 0.00 -0.26 -0.33 0.37 0.00 0.00 175.52 175.26 1xck h GLU 102 N -0.70 0.80 -0.36 6.66 4.39 -1.50 -2.47 114.58 121.42 1xck h GLU 102 Ca -0.06 -0.35 0.04 0.00 0.34 0.00 0.00 59.36 59.33 1xck h GLU 102 Cb 0.56 -0.03 -0.04 0.00 -0.10 0.00 0.00 28.75 29.15 1xck h GLU 102 CO 0.07 0.97 0.14 0.78 -1.16 0.00 0.00 179.01 179.82 1xck h GLY 103 N 0.94 0.47 1.47 -3.84 0.00 -0.63 -1.24 103.07 100.23 1xck h GLY 103 Ca 0.09 -0.09 -0.06 0.00 0.00 0.00 0.00 47.33 47.26 1xck h GLY 103 CO 0.07 0.05 -0.01 1.41 0.00 0.00 0.00 176.54 178.06 1xck h LEU 104 N 0.30 0.62 -0.22 3.11 3.38 -0.82 -1.60 115.31 120.09 1xck h LEU 104 Ca 0.16 -0.14 0.01 0.00 0.09 0.00 0.00 57.88 58.00 1xck h LEU 104 Cb 0.12 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.69 1xck h LEU 104 CO -0.15 0.70 0.14 0.11 0.09 0.00 0.00 178.44 179.33 1xck h LYS 105 N 0.62 0.27 -0.58 1.13 1.57 -0.91 -0.09 116.57 118.58 1xck h LYS 105 Ca 0.13 -0.02 0.05 0.00 -1.87 0.00 0.00 60.65 58.94 1xck h LYS 105 Cb 0.40 -0.06 -0.05 0.00 0.08 0.00 0.00 32.23 32.60 1xck h LYS 105 CO 0.02 0.18 0.30 0.00 -0.57 0.00 0.00 179.45 179.38 1xck h ALA 106 N 1.09 0.75 -0.73 3.86 0.00 -0.82 -0.52 119.26 122.90 1xck h ALA 106 Ca 0.09 0.02 0.02 0.00 0.00 0.00 0.00 54.91 55.04 1xck h ALA 106 Cb -0.01 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 17.65 1xck h ALA 106 CO -0.03 -0.04 0.47 0.28 0.00 0.00 0.00 179.25 179.93 1xck h VAL 107 N 0.57 1.15 -0.03 0.00 2.07 -0.61 -1.55 116.25 117.86 1xck h VAL 107 Ca 0.26 -0.32 -0.08 0.00 0.82 0.00 0.00 66.70 67.38 1xck h VAL 107 Cb 0.16 0.12 -0.01 0.00 -1.52 0.00 0.00 31.29 30.04 1xck h VAL 107 CO -0.17 0.17 -0.34 0.00 0.02 0.00 0.00 177.57 177.25 1xck h ALA 108 N 1.29 1.38 0.00 1.67 0.00 -0.25 -0.89 119.26 122.46 1xck h ALA 108 Ca 0.28 -0.32 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1xck h ALA 108 Cb -0.05 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.68 1xck h ALA 108 CO -0.08 0.46 0.00 0.00 0.00 0.00 0.00 179.25 179.62 1xck n ALA 109 N -2.47 1.92 0.00 0.00 0.00 -0.28 -4.86 120.51 114.82 1xck n ALA 109 Ca -0.02 -0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.35 1xck n ALA 109 Cb 0.39 -1.30 0.00 0.00 0.00 0.00 0.00 19.45 18.54 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 0.36 0.88 3.82 0.00 0.00 -0.34 -5.09 105.19 104.83 1xck n GLY 110 Ca 0.07 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.76 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 -0.86 3.63 -0.10 1.61 1.00 -0.88 -4.98 119.30 118.72 1xck s MET 111 Ca 0.00 1.09 -0.30 0.00 0.00 0.00 0.00 55.69 56.48 1xck s MET 111 Cb 0.00 -2.08 -0.03 0.00 0.00 0.00 0.00 34.83 32.72 1xck s MET 111 CO 0.00 -0.55 1.27 1.21 0.00 0.00 0.00 175.02 176.96 1xck s ASN 112 N -2.91 6.96 0.23 3.03 3.84 -1.26 -4.47 114.94 120.36 1xck s ASN 112 Ca 0.61 1.82 -0.07 0.00 0.21 0.00 0.00 52.86 55.44 1xck s ASN 112 Cb -0.13 -2.55 0.35 0.00 -0.55 0.00 0.00 41.25 38.37 1xck s ASN 112 CO 0.34 -0.69 1.77 -0.65 -2.79 0.00 0.00 177.10 175.08 1xck h PRO 113 N 7.93 0.56 -0.47 0.43 0.11 -1.94 -0.66 132.00 137.96 1xck h PRO 113 Ca -0.32 -0.03 -0.06 0.00 0.11 0.00 0.00 66.00 65.70 1xck h PRO 113 Cb 1.14 -0.13 -0.02 0.00 0.11 0.00 0.00 31.00 32.10 1xck h PRO 113 CO 0.93 0.37 0.06 0.52 -0.21 0.00 0.00 178.00 179.67 1xck h MET 114 N 0.58 0.74 -0.11 1.05 2.86 -1.92 -1.13 114.93 117.00 1xck h MET 114 Ca 0.36 -0.17 -0.22 0.00 -2.06 0.00 0.00 59.70 57.61 1xck h MET 114 Cb 0.40 -0.10 0.01 0.00 0.06 0.00 0.00 31.60 31.96 1xck h MET 114 CO -0.28 0.71 -0.80 -0.44 1.06 0.00 0.00 176.91 177.16 1xck h ASP 115 N 0.71 0.80 -0.51 1.22 3.32 -1.71 -1.68 116.42 118.57 1xck h ASP 115 Ca 0.15 -0.54 0.01 0.00 0.02 0.00 0.00 57.03 56.67 1xck h ASP 115 Cb 0.35 -0.24 -0.03 0.00 0.22 0.00 0.00 39.33 39.63 1xck h ASP 115 CO 0.01 1.32 0.33 -0.07 -1.72 0.00 0.00 179.24 179.11 1xck h LEU 116 N 0.44 0.55 -0.26 1.55 3.38 -0.91 -0.37 115.31 119.69 1xck h LEU 116 Ca -0.06 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 57.89 1xck h LEU 116 Cb 1.42 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 42.03 1xck h LEU 116 CO 0.16 0.40 0.12 0.50 0.09 0.00 0.00 178.44 179.70 1xck h LYS 117 N 0.66 0.39 -0.98 1.13 3.64 -1.17 -0.61 116.57 119.64 1xck h LYS 117 Ca 0.19 -0.06 0.05 0.00 -1.27 0.00 0.00 60.65 59.56 1xck h LYS 117 Cb -0.04 -0.07 -0.06 0.00 -0.41 0.00 0.00 32.23 31.65 1xck h LYS 117 CO -0.06 0.40 0.63 -0.09 -2.27 0.00 0.00 179.45 178.07 1xck h ARG 118 N 0.28 1.16 -0.41 1.90 2.43 -0.89 -0.08 114.38 118.78 1xck h ARG 118 Ca 0.09 -0.07 -0.07 0.00 -0.81 0.00 0.00 59.98 59.12 1xck h ARG 118 Cb 0.15 -0.26 -0.01 0.00 -0.42 0.00 0.00 29.97 29.43 1xck h ARG 118 CO -0.01 0.77 -0.01 0.78 -1.51 0.00 0.00 179.97 179.99 1xck h GLY 119 N 1.20 0.78 0.78 2.80 0.00 -0.76 -0.35 103.07 107.51 1xck h GLY 119 Ca 0.40 -0.58 0.03 0.00 0.00 0.00 0.00 47.33 47.18 1xck h GLY 119 CO -0.14 0.53 0.15 -2.22 0.00 0.00 0.00 176.54 174.86 1xck h ILE 120 N 0.55 0.95 -0.53 2.60 2.04 -0.45 -1.16 117.51 121.51 1xck h ILE 120 Ca 0.11 -0.11 -0.00 0.00 1.00 0.00 0.00 64.86 65.86 1xck h ILE 120 Cb 0.49 0.61 -0.03 0.00 -0.74 0.00 0.00 36.82 37.15 1xck h ILE 120 CO 0.02 0.06 0.31 0.44 0.00 0.00 0.00 178.15 178.98 1xck h ASP 121 N 0.31 0.64 -0.44 1.72 3.32 -0.83 -0.53 116.42 120.60 1xck h ASP 121 Ca 0.15 -0.06 0.02 0.00 0.02 0.00 0.00 57.03 57.15 1xck h ASP 121 Cb 0.09 -0.16 -0.03 0.00 0.22 0.00 0.00 39.33 39.45 1xck h ASP 121 CO -0.13 0.51 0.27 0.50 -1.72 0.00 0.00 179.24 178.67 1xck h LYS 122 N 0.71 0.52 -0.61 3.56 3.64 -0.69 0.62 116.57 124.32 1xck h LYS 122 Ca 0.19 -0.03 0.01 0.00 -1.27 0.00 0.00 60.65 59.55 1xck h LYS 122 Cb -0.00 -0.12 -0.03 0.00 -0.41 0.00 0.00 32.23 31.67 1xck h LYS 122 CO -0.03 0.35 0.40 0.00 -2.27 0.00 0.00 179.45 177.89 1xck h ALA 123 N 1.19 0.78 -0.55 5.00 0.00 -0.83 -1.50 119.26 123.35 1xck h ALA 123 Ca 0.17 -0.04 -0.05 0.00 0.00 0.00 0.00 54.91 55.00 1xck h ALA 123 Cb -0.00 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.53 1xck h ALA 123 CO -0.07 0.19 0.15 0.28 0.00 0.00 0.00 179.25 179.79 1xck h VAL 124 N 0.81 1.24 -1.00 0.00 2.07 -0.62 0.18 116.25 118.93 1xck h VAL 124 Ca 0.23 -0.85 0.02 0.00 0.82 0.00 0.00 66.70 66.92 1xck h VAL 124 Cb -0.07 0.75 -0.05 0.00 -1.52 0.00 0.00 31.29 30.40 1xck h VAL 124 CO -0.06 0.31 0.66 0.74 0.02 0.00 0.00 177.57 179.25 1xck h THR 125 N 0.77 1.22 -0.35 2.57 2.02 -0.47 0.20 112.91 118.88 1xck h THR 125 Ca 0.17 -0.45 -0.10 0.00 0.77 0.00 0.00 66.41 66.80 1xck h THR 125 Cb 0.32 -0.21 -0.01 0.00 -1.74 0.00 0.00 68.15 66.51 1xck h THR 125 CO -0.00 0.24 -0.19 0.00 0.37 0.00 0.00 175.52 175.94 1xck h ALA 126 N 1.39 0.49 -0.87 6.16 0.00 -0.95 -2.83 119.26 122.65 1xck h ALA 126 Ca 0.38 -0.36 0.02 0.00 0.00 0.00 0.00 54.91 54.95 1xck h ALA 126 Cb -0.09 -0.12 -0.05 0.00 0.00 0.00 0.00 17.79 17.54 1xck h ALA 126 CO -0.10 0.43 0.57 0.00 0.00 0.00 0.00 179.25 180.15 1xck h ALA 127 N 0.78 1.12 -0.46 0.00 0.00 0.38 -0.54 119.26 120.53 1xck h ALA 127 Ca 0.07 -0.05 -0.08 0.00 0.00 0.00 0.00 54.91 54.86 1xck h ALA 127 Cb 0.73 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 18.17 1xck h ALA 127 CO 0.05 0.47 -0.02 0.28 0.00 0.00 0.00 179.25 180.03 1xck h VAL 128 N 1.14 1.24 -0.27 0.00 2.07 -0.57 -0.26 116.25 119.61 1xck h VAL 128 Ca 0.33 -1.02 -0.17 0.00 0.82 0.00 0.00 66.70 66.65 1xck h VAL 128 Cb -0.08 0.92 -0.00 0.00 -1.52 0.00 0.00 31.29 30.61 1xck h VAL 128 CO -0.09 0.36 -0.52 -0.08 0.02 0.00 0.00 177.57 177.26 1xck h GLU 129 N 0.71 0.78 -0.11 1.57 4.57 -1.16 -2.41 114.58 118.54 1xck h GLU 129 Ca 0.14 -0.48 -0.06 0.00 -1.18 0.00 0.00 59.36 57.78 1xck h GLU 129 Cb 0.47 0.05 -0.01 0.00 -0.16 0.00 0.00 28.75 29.10 1xck h GLU 129 CO 0.02 1.11 -0.22 1.49 -1.18 0.00 0.00 179.01 180.23 1xck h GLU 130 N 0.60 0.18 -0.29 1.92 4.57 -0.84 -2.28 114.58 118.45 1xck h GLU 130 Ca 0.02 -0.05 -0.11 0.00 -1.18 0.00 0.00 59.36 58.04 1xck h GLU 130 Cb 1.11 -0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 29.66 1xck h GLU 130 CO 0.11 0.40 -0.27 1.25 -1.18 0.00 0.00 179.01 179.32 1xck h LEU 131 N 0.17 0.58 -0.57 1.64 5.85 -0.74 -1.76 115.31 120.48 1xck h LEU 131 Ca 0.03 -0.21 -0.13 0.00 0.84 0.00 0.00 57.88 58.41 1xck h LEU 131 Cb 0.49 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 41.35 1xck h LEU 131 CO 0.03 0.83 -0.25 0.11 -0.34 0.00 0.00 178.44 178.82 1xck h LYS 132 N 0.50 0.88 -0.36 1.25 1.57 -0.93 -2.33 116.57 117.14 1xck h LYS 132 Ca 0.07 -0.38 -0.09 0.00 -1.87 0.00 0.00 60.65 58.38 1xck h LYS 132 Cb 0.72 -0.03 -0.02 0.00 0.08 0.00 0.00 32.23 32.99 1xck h LYS 132 CO 0.06 1.03 -0.15 0.00 -0.57 0.00 0.00 179.45 179.81 1xck h ALA 133 N 0.96 1.06 -0.01 3.86 0.00 -1.14 -2.97 119.26 121.02 1xck h ALA 133 Ca 0.09 -0.32 -0.15 0.00 0.00 0.00 0.00 54.91 54.54 1xck h ALA 133 Cb 0.80 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.42 1xck h ALA 133 CO 0.07 0.57 -0.69 1.25 0.00 0.00 0.00 179.25 180.44 1xck h LEU 134 N 0.59 0.07 -9.67 0.00 6.46 -1.21 -3.46 115.31 108.09 1xck h LEU 134 Ca 0.10 -0.05 -0.57 0.00 -0.12 0.00 0.00 57.88 57.24 1xck h LEU 134 Cb 0.60 -0.02 0.09 0.00 -0.73 0.00 0.00 40.66 40.60 1xck h LEU 134 CO 0.04 0.74 0.58 -0.24 -0.62 0.00 0.00 178.44 178.95 1xck n SER 135 N -3.74 2.83 -4.67 1.25 2.88 -0.89 -4.90 113.62 106.39 1xck n SER 135 Ca -0.01 1.17 -0.35 0.00 -1.33 0.00 0.00 58.87 58.35 1xck n SER 135 Cb 0.68 -1.46 -0.09 0.00 -0.75 0.00 0.00 64.21 62.58 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 -0.49 4.59 0.56 2.46 1.01 0.39 -4.90 120.40 124.02 1xck s VAL 136 Ca 0.62 -0.12 -0.19 0.00 0.00 0.00 0.00 61.98 62.29 1xck s VAL 136 Cb -0.60 -3.00 -0.05 0.00 0.00 0.00 0.00 36.38 32.73 1xck s VAL 136 CO 0.55 0.54 1.14 -2.84 0.00 0.00 0.00 175.10 174.49 1xck s PRO 137 N -0.28 3.22 -0.43 2.72 0.02 -1.26 -0.71 135.00 138.28 1xck s PRO 137 Ca 0.07 1.63 0.02 0.00 0.02 0.00 0.00 61.00 62.75 1xck s PRO 137 Cb -0.12 -1.98 0.14 0.00 0.02 0.00 0.00 34.50 32.56 1xck s PRO 137 CO 0.02 -0.96 0.26 0.00 -0.33 0.00 0.00 177.00 175.99 1xck n SER 139 N 3.46 0.85 -4.77 0.00 7.64 -1.26 -4.24 113.62 115.29 1xck n SER 139 Ca 0.13 0.00 -0.36 0.00 1.01 0.00 0.00 58.87 59.65 1xck n SER 139 Cb 0.37 0.00 -0.00 0.00 -1.01 0.00 0.00 64.21 63.57 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 -4.77 5.91 0.00 6.43 -4.77 -1.26 -4.84 116.67 113.37 1xck s ASP 140 Ca 0.00 2.23 0.09 0.00 -3.30 0.00 0.00 52.55 51.58 1xck s ASP 140 Cb 0.00 -2.59 0.48 0.00 -1.09 0.00 0.00 42.92 39.72 1xck s ASP 140 CO 0.00 -1.09 1.18 -1.54 0.70 0.00 0.00 175.17 174.42 1xck n SER 141 N -0.95 0.00 0.00 2.11 3.41 -1.26 -1.42 113.62 115.51 1xck n SER 141 Ca 0.10 0.13 -0.17 0.00 -0.26 0.00 0.00 58.87 58.66 1xck n SER 141 Cb 0.50 -0.27 -0.11 0.00 -0.26 0.00 0.00 64.21 64.07 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 0.40 -0.19 4.33 3.64 -1.99 -2.61 116.57 120.15 1xck h LYS 142 Ca 0.00 -0.43 -0.02 0.00 -1.27 0.00 0.00 60.65 58.92 1xck h LYS 142 Cb 0.08 0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 32.02 1xck h LYS 142 CO 0.00 1.10 0.03 0.00 -2.27 0.00 0.00 179.45 178.31 1xck h ALA 143 N 0.31 0.25 -0.68 5.00 0.00 -1.61 -2.37 119.26 120.17 1xck h ALA 143 Ca -0.07 -0.17 0.13 0.00 0.00 0.00 0.00 54.91 54.79 1xck h ALA 143 Cb 1.31 -0.07 -0.09 0.00 0.00 0.00 0.00 17.79 18.93 1xck h ALA 143 CO 0.12 -0.08 0.19 0.82 0.00 0.00 0.00 179.25 180.30 1xck h ILE 144 N 0.10 0.61 -0.45 0.00 2.04 -1.49 0.70 117.51 119.02 1xck h ILE 144 Ca 0.06 -0.11 -0.06 0.00 1.00 0.00 0.00 64.86 65.75 1xck h ILE 144 Cb 0.32 0.27 -0.02 0.00 -0.74 0.00 0.00 36.82 36.66 1xck h ILE 144 CO 0.00 0.06 0.05 0.00 0.00 0.00 0.00 178.15 178.26 1xck h ALA 145 N 1.53 1.24 -0.22 1.87 0.00 -1.26 -1.39 119.26 121.03 1xck h ALA 145 Ca 0.37 -0.22 -0.04 0.00 0.00 0.00 0.00 54.91 55.02 1xck h ALA 145 Cb 0.57 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 1xck h ALA 145 CO -0.43 0.51 -0.00 1.96 0.00 0.00 0.00 179.25 181.29 1xck h GLN 146 N 0.68 0.38 -0.41 0.00 4.20 -0.42 -0.88 115.11 118.67 1xck h GLN 146 Ca 0.14 -0.12 -0.04 0.00 0.06 0.00 0.00 58.65 58.69 1xck h GLN 146 Cb 0.35 -0.03 -0.02 0.00 0.30 0.00 0.00 27.48 28.07 1xck h GLN 146 CO 0.01 0.58 0.08 0.28 -0.67 0.00 0.00 178.83 179.10 1xck h VAL 147 N 0.15 1.19 -0.14 -0.54 2.07 -0.89 -0.74 116.25 117.35 1xck h VAL 147 Ca 0.06 -0.71 -0.16 0.00 0.82 0.00 0.00 66.70 66.70 1xck h VAL 147 Cb 0.41 0.80 -0.01 0.00 -1.52 0.00 0.00 31.29 30.97 1xck h VAL 147 CO 0.01 0.26 -0.60 1.23 0.02 0.00 0.00 177.57 178.49 1xck h GLY 148 N 0.84 0.52 0.80 2.17 0.00 -1.12 -1.51 103.07 104.78 1xck h GLY 148 Ca 0.13 -0.64 -0.03 0.00 0.00 0.00 0.00 47.33 46.79 1xck h GLY 148 CO 0.00 0.57 -0.01 -0.84 0.00 0.00 0.00 176.54 176.26 1xck h THR 149 N 0.36 1.27 -0.73 4.70 2.02 -0.56 -1.50 112.91 118.45 1xck h THR 149 Ca -0.00 -0.91 -0.03 0.00 0.77 0.00 0.00 66.41 66.23 1xck h THR 149 Cb 1.14 1.51 -0.03 0.00 -1.74 0.00 0.00 68.15 69.03 1xck h THR 149 CO 0.11 0.27 0.33 0.40 0.37 0.00 0.00 175.52 177.00 1xck h ILE 150 N 0.06 1.24 0.00 3.11 2.04 -1.15 0.17 117.51 122.99 1xck h ILE 150 Ca 0.05 -0.72 0.00 0.00 1.00 0.00 0.00 64.86 65.19 1xck h ILE 150 Cb 0.42 0.35 0.00 0.00 -0.74 0.00 0.00 36.82 36.85 1xck h ILE 150 CO 0.01 0.30 0.00 -1.20 0.00 0.00 0.00 178.15 177.26 1xck n SER 151 N -4.38 0.62 -1.48 1.72 7.64 -0.57 -2.37 113.62 114.80 1xck n SER 151 Ca 0.06 0.64 0.02 0.00 1.01 0.00 0.00 58.87 60.61 1xck n SER 151 Cb 0.15 -0.78 0.30 0.00 -1.01 0.00 0.00 64.21 62.87 1xck n SER 151 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1xck n ALA 152 N -1.75 3.83 -3.13 -0.43 0.00 -0.58 -4.25 120.51 114.20 1xck n ALA 152 Ca 0.03 -2.34 -0.14 0.00 0.00 0.00 0.00 53.44 50.99 1xck n ALA 152 Cb 0.24 -0.97 0.07 0.00 0.00 0.00 0.00 19.45 18.79 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 -0.24 -2.42 -1.59 0.00 5.15 -1.00 -3.15 115.26 112.01 1xck n ASN 153 Ca 0.30 -0.51 -0.17 0.00 -0.60 0.00 0.00 54.58 53.61 1xck n ASN 153 Cb 1.13 -4.24 -0.04 0.00 -0.53 0.00 0.00 39.78 36.10 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 -2.73 -5.03 -4.42 1.20 7.64 0.52 -4.95 113.62 105.84 1xck n SER 154 Ca -0.22 0.22 -0.44 0.00 1.01 0.00 0.00 58.87 59.45 1xck n SER 154 Cb 0.63 -4.08 -0.04 0.00 -1.01 0.00 0.00 64.21 59.72 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 -2.55 6.28 0.45 6.43 -1.08 -1.12 -4.89 116.67 120.19 1xck s ASP 155 Ca 0.00 -1.39 0.18 0.00 -0.52 0.00 0.00 52.55 50.82 1xck s ASP 155 Cb 0.00 -2.37 1.14 0.00 -1.46 0.00 0.00 42.92 40.23 1xck s ASP 155 CO 0.00 -1.24 1.92 -0.33 0.52 0.00 0.00 175.17 176.05 1xck h GLU 156 N 9.25 0.31 -0.28 4.34 5.08 -1.92 -2.22 114.58 129.13 1xck h GLU 156 Ca -0.19 -0.02 0.06 0.00 -1.00 0.00 0.00 59.36 58.21 1xck h GLU 156 Cb 1.07 -0.07 -0.06 0.00 0.50 0.00 0.00 28.75 30.19 1xck h GLU 156 CO 1.13 0.20 -0.08 1.15 -1.00 0.00 0.00 179.01 180.41 1xck h THR 157 N 0.32 0.69 -0.59 1.13 2.02 -1.97 -0.46 112.91 114.05 1xck h THR 157 Ca 0.36 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.54 1xck h THR 157 Cb 0.96 0.69 -0.03 0.00 -1.74 0.00 0.00 68.15 68.03 1xck h THR 157 CO -0.10 0.00 0.35 0.58 0.37 0.00 0.00 175.52 176.72 1xck h VAL 158 N -0.02 1.17 -0.71 3.16 2.07 -1.75 0.69 116.25 120.86 1xck h VAL 158 Ca 0.14 -0.39 0.01 0.00 0.82 0.00 0.00 66.70 67.27 1xck h VAL 158 Cb 0.23 0.38 -0.04 0.00 -1.52 0.00 0.00 31.29 30.34 1xck h VAL 158 CO -0.30 0.18 0.47 1.23 0.02 0.00 0.00 177.57 179.17 1xck h GLY 159 N 0.79 1.01 0.94 2.17 0.00 -1.35 -1.15 103.07 105.48 1xck h GLY 159 Ca 0.21 -0.38 -0.00 0.00 0.00 0.00 0.00 47.33 47.16 1xck h GLY 159 CO -0.04 0.37 0.07 1.70 0.00 0.00 0.00 176.54 178.64 1xck h LYS 160 N 0.97 0.18 -0.13 4.80 3.64 -0.58 -1.08 116.57 124.37 1xck h LYS 160 Ca 0.26 -0.02 0.05 0.00 -1.27 0.00 0.00 60.65 59.67 1xck h LYS 160 Cb -0.11 -0.04 -0.06 0.00 -0.41 0.00 0.00 32.23 31.62 1xck h LYS 160 CO -0.06 0.20 -0.23 -0.07 -2.27 0.00 0.00 179.45 177.03 1xck h LEU 161 N 0.11 -0.70 -0.78 5.20 3.38 -0.47 -0.42 115.31 121.63 1xck h LEU 161 Ca 0.05 0.12 -0.01 0.00 0.09 0.00 0.00 57.88 58.12 1xck h LEU 161 Cb 0.07 0.32 -0.04 0.00 0.09 0.00 0.00 40.66 41.10 1xck h LEU 161 CO -0.01 -0.28 0.43 0.40 0.09 0.00 0.00 178.44 179.08 1xck h ILE 162 N -0.29 1.23 -0.64 1.22 2.04 -1.10 -0.84 117.51 119.14 1xck h ILE 162 Ca 0.10 -0.57 -0.04 0.00 1.00 0.00 0.00 64.86 65.35 1xck h ILE 162 Cb 0.44 0.19 -0.03 0.00 -0.74 0.00 0.00 36.82 36.68 1xck h ILE 162 CO -0.30 0.25 0.23 0.00 0.00 0.00 0.00 178.15 178.34 1xck h ALA 163 N 1.23 0.83 -0.30 1.87 0.00 -0.84 -0.33 119.26 121.72 1xck h ALA 163 Ca 0.27 -0.19 -0.02 0.00 0.00 0.00 0.00 54.91 54.98 1xck h ALA 163 Cb 0.02 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 1xck h ALA 163 CO -0.05 0.47 0.13 0.93 0.00 0.00 0.00 179.25 180.73 1xck h GLU 164 N 0.91 0.44 -0.22 0.00 5.08 -0.68 -1.36 114.58 118.74 1xck h GLU 164 Ca 0.21 -0.07 -0.01 0.00 -1.00 0.00 0.00 59.36 58.49 1xck h GLU 164 Cb 0.24 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.41 1xck h GLU 164 CO -0.01 0.44 0.11 0.00 -1.00 0.00 0.00 179.01 178.55 1xck h ALA 165 N 0.97 0.29 -0.09 3.43 0.00 -0.94 -1.94 119.26 120.97 1xck h ALA 165 Ca 0.10 -0.08 -0.03 0.00 0.00 0.00 0.00 54.91 54.90 1xck h ALA 165 Cb 0.16 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 1xck h ALA 165 CO -0.01 -0.16 -0.09 0.52 0.00 0.00 0.00 179.25 179.51 1xck h MET 166 N 0.23 0.13 -0.26 0.00 2.86 -0.99 -1.42 114.93 115.49 1xck h MET 166 Ca 0.08 -0.02 -0.12 0.00 -2.06 0.00 0.00 59.70 57.58 1xck h MET 166 Cb 0.11 -0.02 -0.01 0.00 0.06 0.00 0.00 31.60 31.74 1xck h MET 166 CO -0.01 0.24 -0.33 0.22 1.06 0.00 0.00 176.91 178.09 1xck h ASP 167 N 0.13 0.56 0.63 1.22 3.58 -0.83 0.28 116.42 121.98 1xck h ASP 167 Ca 0.03 -0.22 -0.03 0.00 0.42 0.00 0.00 57.03 57.23 1xck h ASP 167 Cb 0.25 -0.16 0.01 0.00 1.72 0.00 0.00 39.33 41.15 1xck h ASP 167 CO 0.01 0.86 -0.30 0.11 -2.88 0.00 0.00 179.24 177.04 1xck h LYS 168 N 0.47 -0.81 -0.02 0.28 1.79 -0.51 -3.34 116.57 114.42 1xck h LYS 168 Ca 0.05 0.06 0.00 0.00 -2.18 0.00 0.00 60.65 58.58 1xck h LYS 168 Cb 0.80 0.18 0.00 0.00 -1.58 0.00 0.00 32.23 31.63 1xck h LYS 168 CO 0.06 -0.54 -0.02 1.33 -1.08 0.00 0.00 179.45 179.20 1xck n VAL 169 N -5.25 0.00 0.00 0.50 0.24 -0.84 -5.07 118.33 107.92 1xck n VAL 169 Ca -0.10 -0.30 0.00 0.00 -2.04 0.00 0.00 64.34 61.89 1xck n VAL 169 Cb 0.33 0.75 0.00 0.00 -1.47 0.00 0.00 33.84 33.45 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 1.23 -1.08 0.24 7.63 0.00 0.97 -2.90 105.19 111.29 1xck n GLY 170 Ca 0.17 -1.60 0.07 0.00 0.00 0.00 0.00 46.02 44.66 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 0.00 0.00 1.61 1.57 -1.95 -1.30 116.57 116.51 1xck h LYS 171 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1xck h LYS 171 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.31 1xck h LYS 171 CO 0.00 0.09 -0.47 0.39 -0.57 0.00 0.00 179.45 178.89 1xck n GLU 172 N -4.39 0.15 -0.69 3.15 -0.58 -1.26 -4.96 120.64 112.06 1xck n GLU 172 Ca -0.03 0.05 -0.31 0.00 -0.42 0.00 0.00 57.16 56.45 1xck n GLU 172 Cb 0.17 -1.60 0.16 0.00 -0.57 0.00 0.00 31.44 29.60 1xck n GLU 172 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1xck n GLY 173 N 1.41 -0.87 3.66 0.62 0.00 -0.49 -4.98 105.19 104.54 1xck n GLY 173 Ca 0.05 -0.75 -0.39 0.00 0.00 0.00 0.00 46.02 44.92 1xck n GLY 173 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1xck s VAL 174 N -2.57 5.09 -0.15 1.61 1.01 -1.26 -4.95 120.40 119.18 1xck s VAL 174 Ca 0.64 0.98 0.02 0.00 0.00 0.00 0.00 61.98 63.62 1xck s VAL 174 Cb -0.23 -3.86 0.02 0.00 0.00 0.00 0.00 36.38 32.32 1xck s VAL 174 CO 0.61 0.16 -0.20 -0.63 0.00 0.00 0.00 175.10 175.05 1xck s ILE 175 N 1.69 1.95 0.16 2.22 1.01 -1.26 -0.09 121.20 126.88 1xck s ILE 175 Ca 0.25 -0.89 0.08 0.00 0.00 0.00 0.00 60.65 60.08 1xck s ILE 175 Cb -0.15 -1.75 -0.04 0.00 0.01 0.00 0.00 42.46 40.52 1xck s ILE 175 CO 0.10 0.52 -0.05 -0.89 0.00 0.00 0.00 174.94 174.62 1xck s THR 176 N 1.11 3.50 -0.02 2.92 2.01 0.17 -4.96 115.64 120.36 1xck s THR 176 Ca -0.01 -1.45 0.01 0.00 0.31 0.00 0.00 61.69 60.56 1xck s THR 176 Cb -0.14 -2.72 0.01 0.00 0.01 0.00 0.00 72.50 69.66 1xck s THR 176 CO -0.08 -0.06 -0.03 0.54 -0.69 0.00 0.00 174.62 174.30 1xck s VAL 177 N -1.60 0.38 0.20 3.82 0.11 -1.26 -0.45 120.40 121.59 1xck s VAL 177 Ca 0.25 -0.10 -0.05 0.00 -2.93 0.00 0.00 61.98 59.15 1xck s VAL 177 Cb -0.10 -0.39 -0.03 0.00 -1.53 0.00 0.00 36.38 34.34 1xck s VAL 177 CO 0.17 0.16 0.24 -1.83 -3.33 0.00 0.00 175.10 170.50 1xck s GLU 178 N 0.53 1.25 0.41 1.54 -1.05 -0.01 -4.95 118.70 116.42 1xck s GLU 178 Ca -0.06 -1.43 -0.24 0.00 -0.15 0.00 0.00 54.97 53.09 1xck s GLU 178 Cb -0.09 0.34 -0.11 0.00 -0.44 0.00 0.00 34.13 33.82 1xck s GLU 178 CO -0.00 -0.45 0.89 -0.25 0.95 0.00 0.00 175.26 176.40 1xck n ASP 179 N -0.27 0.71 -4.93 0.83 8.00 -1.26 -2.01 116.55 117.62 1xck n ASP 179 Ca -0.02 1.02 -0.25 0.00 0.71 0.00 0.00 54.79 56.25 1xck n ASP 179 Cb 0.64 -1.28 0.04 0.00 -0.02 0.00 0.00 41.12 40.50 1xck n ASP 179 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 1xck s GLY 180 N -0.79 1.67 0.00 0.44 0.00 -0.54 -4.42 107.32 103.68 1xck s GLY 180 Ca 0.63 -0.92 0.25 0.00 0.00 0.00 0.00 44.72 44.68 1xck s GLY 180 CO 0.57 -0.61 1.50 -1.30 0.00 0.00 0.00 173.10 173.26 1xck n THR 181 N -2.61 0.08 0.00 0.90 -2.24 -1.26 -4.90 114.28 104.25 1xck n THR 181 Ca 0.06 -0.41 0.00 0.00 -2.27 0.00 0.00 64.05 61.43 1xck n THR 181 Cb 0.59 0.91 0.00 0.00 -2.10 0.00 0.00 70.33 69.73 1xck n THR 181 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1xck n GLY 182 N 1.27 3.92 0.89 3.38 0.00 -1.26 -5.04 105.19 108.35 1xck n GLY 182 Ca 0.17 -0.53 0.00 0.00 0.00 0.00 0.00 46.02 45.66 1xck n GLY 182 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1xck n LEU 183 N 0.00 0.00 0.00 0.99 -0.00 -1.26 -4.57 117.00 112.16 1xck n LEU 183 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.01 1xck n LEU 183 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.42 1xck n LEU 183 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 177.39 177.39 1xck n GLN 184 N -0.17 0.00 -1.70 1.96 6.02 -1.26 -4.70 117.38 117.53 1xck n GLN 184 Ca 0.00 0.00 -0.31 0.00 -0.01 0.00 0.00 57.00 56.68 1xck n GLN 184 Cb 0.00 0.00 0.03 0.00 1.02 0.00 0.00 30.24 31.29 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 0.00 5.72 -0.04 1.08 1.01 -1.26 -3.54 116.67 119.63 1xck s ASP 185 Ca 0.00 1.52 -0.03 0.00 0.71 0.00 0.00 52.55 54.75 1xck s ASP 185 Cb 0.00 -2.46 0.02 0.00 1.01 0.00 0.00 42.92 41.49 1xck s ASP 185 CO 0.00 -1.21 0.10 -1.61 0.21 0.00 0.00 175.17 172.66 1xck s GLU 186 N -5.11 0.10 -0.12 8.23 2.02 -0.82 -4.92 118.70 118.08 1xck s GLU 186 Ca 0.57 0.19 0.01 0.00 0.02 0.00 0.00 54.97 55.76 1xck s GLU 186 Cb -0.13 -0.02 0.02 0.00 0.10 0.00 0.00 34.13 34.11 1xck s GLU 186 CO 0.54 -0.06 -0.12 -1.17 0.02 0.00 0.00 175.26 174.48 1xck s LEU 187 N 0.37 1.51 -0.04 1.80 2.96 -1.26 -0.96 118.68 123.07 1xck s LEU 187 Ca -0.03 -0.38 -0.06 0.00 -0.22 0.00 0.00 54.13 53.44 1xck s LEU 187 Cb -0.04 -1.00 0.01 0.00 0.50 0.00 0.00 46.19 45.67 1xck s LEU 187 CO -0.01 -0.05 0.15 -1.81 -1.32 0.00 0.00 176.35 173.31 1xck s ASP 188 N 1.34 -0.09 -0.19 3.68 1.01 -0.85 -4.96 116.67 116.60 1xck s ASP 188 Ca -0.00 0.12 -0.09 0.00 0.71 0.00 0.00 52.55 53.28 1xck s ASP 188 Cb -0.14 0.28 -0.05 0.00 1.01 0.00 0.00 42.92 44.03 1xck s ASP 188 CO -0.06 -0.17 0.12 -0.69 0.21 0.00 0.00 175.17 174.57 1xck s VAL 189 N -0.47 5.28 0.33 -1.27 1.01 -1.26 0.03 120.40 124.04 1xck s VAL 189 Ca -0.06 0.14 0.03 0.00 0.00 0.00 0.00 61.98 62.10 1xck s VAL 189 Cb -0.04 -3.40 -0.05 0.00 0.00 0.00 0.00 36.38 32.89 1xck s VAL 189 CO 0.01 0.45 0.08 0.68 0.00 0.00 0.00 175.10 176.32 1xck s VAL 190 N 0.31 0.95 -0.01 2.92 -7.23 -0.44 -4.91 120.40 112.00 1xck s VAL 190 Ca 0.07 -2.00 -0.30 0.00 -1.81 0.00 0.00 61.98 57.94 1xck s VAL 190 Cb -0.11 -2.68 -0.07 0.00 0.56 0.00 0.00 36.38 34.08 1xck s VAL 190 CO -0.01 0.00 1.73 -1.61 -0.31 0.00 0.00 175.10 174.89 1xck s GLU 191 N -3.89 4.18 0.22 4.82 0.41 -1.26 -0.89 118.70 122.29 1xck s GLU 191 Ca 0.34 2.32 -0.21 0.00 -0.41 0.00 0.00 54.97 57.01 1xck s GLU 191 Cb 0.07 -3.94 0.07 0.00 -1.78 0.00 0.00 34.13 28.55 1xck s GLU 191 CO 0.15 -0.85 1.00 0.20 -0.49 0.00 0.00 175.26 175.27 1xck s GLY 192 N 3.39 0.19 0.01 -1.39 0.00 -1.26 -0.47 107.32 107.78 1xck s GLY 192 Ca 0.77 -0.45 -0.28 0.00 0.00 0.00 0.00 44.72 44.76 1xck s GLY 192 CO 0.33 2.15 0.88 -0.29 0.00 0.00 0.00 173.10 176.16 1xck s MET 193 N -2.11 0.85 -0.10 2.90 1.75 -0.62 -4.13 119.30 117.84 1xck s MET 193 Ca 0.21 -0.32 -0.05 0.00 -1.25 0.00 0.00 55.69 54.29 1xck s MET 193 Cb -0.03 0.39 0.05 0.00 2.84 0.00 0.00 34.83 38.07 1xck s MET 193 CO 0.07 -0.37 0.23 -1.14 -0.65 0.00 0.00 175.02 173.15 1xck s GLN 194 N -3.15 0.18 0.34 4.11 0.74 -1.26 -0.04 119.66 120.57 1xck s GLN 194 Ca 0.05 0.51 0.06 0.00 0.05 0.00 0.00 55.36 56.02 1xck s GLN 194 Cb -0.01 -0.13 -0.07 0.00 1.10 0.00 0.00 33.01 33.90 1xck s GLN 194 CO -0.09 -0.17 0.01 -0.59 -0.55 0.00 0.00 175.29 173.90 1xck s PHE 195 N 1.28 2.14 -1.23 1.67 -0.71 -0.37 -5.00 117.98 115.75 1xck s PHE 195 Ca -0.09 -0.79 -0.12 0.00 -1.04 0.00 0.00 56.93 54.89 1xck s PHE 195 Cb -0.11 -1.38 0.18 0.00 -1.21 0.00 0.00 43.02 40.50 1xck s PHE 195 CO -0.08 0.23 1.56 -0.25 -1.34 0.00 0.00 175.22 175.34 1xck n ASP 196 N -0.74 5.24 -3.68 1.98 8.00 -1.26 -2.03 116.55 124.05 1xck n ASP 196 Ca -0.04 -3.04 -0.10 0.00 0.71 0.00 0.00 54.79 52.33 1xck n ASP 196 Cb 0.66 -1.52 -0.10 0.00 -0.02 0.00 0.00 41.12 40.14 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 0.89 0.47 0.32 -1.24 1.81 -1.02 -4.87 118.95 115.32 1xck s ARG 197 Ca 0.41 0.89 0.04 0.00 -1.72 0.00 0.00 55.73 55.34 1xck s ARG 197 Cb 0.01 0.03 0.04 0.00 -0.45 0.00 0.00 34.95 34.57 1xck s ARG 197 CO 0.00 -0.15 0.32 0.41 -0.68 0.00 0.00 175.30 175.20 1xck n GLY 198 N 4.22 2.52 3.70 -3.53 0.00 -1.25 -0.89 105.19 109.95 1xck n GLY 198 Ca -0.22 -2.22 -0.41 0.00 0.00 0.00 0.00 46.02 43.17 1xck n GLY 198 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90 1xck n TYR 199 N -1.41 2.15 1.90 1.61 0.18 -0.84 -4.43 117.16 116.30 1xck n TYR 199 Ca 0.03 0.51 0.02 0.00 1.88 0.00 0.00 57.90 60.33 1xck n TYR 199 Cb 0.35 -2.38 0.10 0.00 -0.38 0.00 0.00 39.34 37.02 1xck n TYR 199 CO 0.00 0.00 0.00 1.28 -2.08 0.00 0.00 176.86 176.06 1xck n LEU 200 N 0.28 0.18 0.00 -3.48 4.77 -0.49 -4.78 117.00 113.48 1xck n LEU 200 Ca 0.06 -0.09 0.00 0.00 -0.03 0.00 0.00 56.01 55.95 1xck n LEU 200 Cb 0.39 -0.02 0.00 0.00 -2.33 0.00 0.00 43.42 41.46 1xck n LEU 200 CO 0.59 0.04 0.00 -0.24 -1.33 0.00 0.00 177.39 176.46 1xck n SER 201 N -0.44 0.00 -2.46 -1.43 2.88 -1.26 -5.09 113.62 105.82 1xck n SER 201 Ca 0.03 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.57 1xck n SER 201 Cb 0.04 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.50 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 -0.05 2.60 0.00 -1.46 -0.02 -1.26 -3.40 135.00 131.41 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 0.31 6.00 4.01 -1.26 -4.17 117.16 122.05 1xck n TYR 203 Ca 0.00 0.00 0.18 0.00 -0.16 0.00 0.00 57.90 57.92 1xck n TYR 203 Cb 0.00 0.00 1.00 0.00 -0.31 0.00 0.00 39.34 40.03 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 -2.40 -0.72 0.04 -1.90 -3.42 116.94 108.54 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 0.03 0.00 2.20 0.00 0.00 35.95 38.18 1xck h PHE 204 CO 0.00 0.02 1.14 -0.89 -0.60 0.00 0.00 178.31 177.98 1xck n ILE 205 N -3.38 0.50 -0.24 -0.55 5.41 -1.26 -4.69 119.36 115.15 1xck n ILE 205 Ca -0.02 -0.09 0.02 0.00 1.00 0.00 0.00 62.75 63.65 1xck n ILE 205 Cb 0.13 -2.15 0.02 0.00 -0.71 0.00 0.00 39.64 36.94 1xck n ILE 205 CO 0.00 0.00 0.00 -0.46 0.00 0.00 0.00 176.55 176.09 1xck n ASN 206 N 6.25 1.94 -3.17 4.38 0.23 -0.99 -4.74 115.26 119.15 1xck n ASN 206 Ca 0.19 -2.12 -0.21 0.00 -0.53 0.00 0.00 54.58 51.90 1xck n ASN 206 Cb 0.37 -0.07 -0.05 0.00 -2.08 0.00 0.00 39.78 37.96 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 -0.62 1.24 -0.05 -3.83 4.76 -0.93 -4.92 118.16 113.82 1xck n LYS 207 Ca 0.03 -3.58 0.23 0.00 -2.87 0.00 0.00 58.31 52.11 1xck n LYS 207 Cb 0.33 -1.66 0.49 0.00 -1.84 0.00 0.00 35.03 32.35 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 3.34 0.00 0.60 1.97 0.13 -1.85 0.45 132.00 136.65 1xck h PRO 208 Ca 0.10 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 65.20 1xck h PRO 208 Cb 0.87 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.01 1xck h PRO 208 CO 0.54 0.00 -0.29 0.93 -0.23 0.00 0.00 178.00 178.95 1xck h GLU 209 N 0.00 -0.78 -0.01 0.86 3.07 -1.95 -3.17 114.58 112.60 1xck h GLU 209 Ca 0.34 0.05 0.00 0.00 -0.50 0.00 0.00 59.36 59.25 1xck h GLU 209 Cb 2.24 0.18 0.00 0.00 -0.84 0.00 0.00 28.75 30.33 1xck h GLU 209 CO -0.00 -0.52 -0.10 0.25 -1.40 0.00 0.00 179.01 177.23 1xck n THR 210 N -4.31 0.00 -2.68 1.13 -2.24 -0.24 -4.94 114.28 101.00 1xck n THR 210 Ca -0.10 -0.11 -0.21 0.00 -2.27 0.00 0.00 64.05 61.36 1xck n THR 210 Cb 0.32 0.10 0.01 0.00 -2.10 0.00 0.00 70.33 68.66 1xck n THR 210 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1xck n GLY 211 N 1.24 -0.48 3.60 3.38 0.00 0.14 -4.99 105.19 108.08 1xck n GLY 211 Ca 0.16 0.04 -0.27 0.00 0.00 0.00 0.00 46.02 45.95 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 -3.09 3.12 -0.17 4.61 0.00 -1.18 -4.63 121.76 120.43 1xck s ALA 212 Ca 0.14 -2.17 -0.06 0.00 0.00 0.00 0.00 51.96 49.88 1xck s ALA 212 Cb -0.06 -0.02 -0.04 0.00 0.00 0.00 0.00 23.12 23.00 1xck s ALA 212 CO 0.18 -0.02 0.02 0.08 0.00 0.00 0.00 175.76 176.01 1xck s VAL 213 N -2.64 4.42 -0.16 0.00 1.01 0.20 -2.18 120.40 121.06 1xck s VAL 213 Ca 0.34 -0.17 -0.01 0.00 0.00 0.00 0.00 61.98 62.14 1xck s VAL 213 Cb 0.05 -2.97 0.04 0.00 0.00 0.00 0.00 36.38 33.51 1xck s VAL 213 CO 0.18 0.48 -0.02 -0.70 0.00 0.00 0.00 175.10 175.04 1xck s GLU 214 N 0.29 1.10 -0.04 2.72 2.12 -1.26 -0.63 118.70 123.01 1xck s GLU 214 Ca 0.01 -0.39 0.05 0.00 0.36 0.00 0.00 54.97 54.99 1xck s GLU 214 Cb -0.13 -1.86 -0.03 0.00 0.26 0.00 0.00 34.13 32.38 1xck s GLU 214 CO 0.01 -0.46 -0.17 -0.51 -0.54 0.00 0.00 175.26 173.59 1xck s LEU 215 N 1.74 2.61 -0.12 2.70 1.43 -0.89 -4.95 118.68 121.20 1xck s LEU 215 Ca 0.01 -0.26 -0.01 0.00 -1.03 0.00 0.00 54.13 52.83 1xck s LEU 215 Cb -0.15 -1.52 -0.03 0.00 0.03 0.00 0.00 46.19 44.53 1xck s LEU 215 CO -0.07 0.33 -0.07 -1.61 0.23 0.00 0.00 176.35 175.16 1xck s GLU 216 N -0.78 3.27 -1.48 1.70 2.02 -1.26 -2.19 118.70 119.99 1xck s GLU 216 Ca 0.12 -0.56 -0.02 0.00 0.02 0.00 0.00 54.97 54.52 1xck s GLU 216 Cb -0.10 -2.73 0.02 0.00 0.10 0.00 0.00 34.13 31.41 1xck s GLU 216 CO 0.01 0.40 0.34 0.43 0.02 0.00 0.00 175.26 176.45 1xck n SER 217 N 3.03 -0.22 -4.90 -0.19 7.64 0.81 -4.52 113.62 115.28 1xck n SER 217 Ca -0.18 -1.09 -0.29 0.00 1.01 0.00 0.00 58.87 58.33 1xck n SER 217 Cb 0.53 -2.61 0.04 0.00 -1.01 0.00 0.00 64.21 61.16 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 -6.82 2.91 0.10 1.43 0.04 -1.19 -4.54 135.00 126.93 1xck s PRO 218 Ca 0.07 0.28 -0.02 0.00 0.04 0.00 0.00 61.00 61.37 1xck s PRO 218 Cb -0.04 -2.13 -0.05 0.00 0.04 0.00 0.00 34.50 32.33 1xck s PRO 218 CO 0.92 -0.88 0.28 -0.06 0.04 0.00 0.00 177.00 177.31 1xck s PHE 219 N -3.20 3.50 -0.15 0.56 0.08 -0.38 -3.35 117.98 115.04 1xck s PHE 219 Ca 0.56 0.37 0.01 0.00 0.12 0.00 0.00 56.93 57.99 1xck s PHE 219 Cb -0.11 -1.86 0.02 0.00 -0.57 0.00 0.00 43.02 40.50 1xck s PHE 219 CO 0.49 0.52 -0.16 0.42 -0.10 0.00 0.00 175.22 176.39 1xck s ILE 220 N -1.58 1.69 -0.21 0.64 1.01 -0.26 -0.43 121.20 122.05 1xck s ILE 220 Ca 0.38 -0.71 -0.15 0.00 0.00 0.00 0.00 60.65 60.16 1xck s ILE 220 Cb -0.13 -1.56 -0.04 0.00 0.01 0.00 0.00 42.46 40.75 1xck s ILE 220 CO 0.27 0.48 0.38 -0.22 0.00 0.00 0.00 174.94 175.84 1xck s LEU 221 N 1.36 4.14 -0.38 2.97 2.96 0.49 -0.18 118.68 130.03 1xck s LEU 221 Ca 0.03 0.46 -0.05 0.00 -0.22 0.00 0.00 54.13 54.35 1xck s LEU 221 Cb -0.13 -2.48 0.08 0.00 0.50 0.00 0.00 46.19 44.16 1xck s LEU 221 CO -0.10 -0.08 0.17 -0.76 -1.32 0.00 0.00 176.35 174.26 1xck s LEU 222 N 1.39 4.85 -0.23 -0.68 1.43 -1.26 -0.67 118.68 123.51 1xck s LEU 222 Ca 0.18 -1.60 0.02 0.00 -1.03 0.00 0.00 54.13 51.70 1xck s LEU 222 Cb -0.15 -1.86 0.04 0.00 0.03 0.00 0.00 46.19 44.25 1xck s LEU 222 CO 0.08 -0.46 -0.14 0.00 0.23 0.00 0.00 176.35 176.05 1xck s ALA 223 N 1.29 2.48 -1.29 4.21 0.00 -0.61 -0.44 121.76 127.41 1xck s ALA 223 Ca 0.03 -1.56 -0.16 0.00 0.00 0.00 0.00 51.96 50.26 1xck s ALA 223 Cb -0.22 -1.44 0.10 0.00 0.00 0.00 0.00 23.12 21.56 1xck s ALA 223 CO -0.01 -0.88 1.70 -3.47 0.00 0.00 0.00 175.76 173.10 1xck n ASP 224 N 4.50 4.94 0.00 0.00 2.03 -1.07 -2.95 116.55 124.01 1xck n ASP 224 Ca -0.17 -2.93 0.00 0.00 0.52 0.00 0.00 54.79 52.21 1xck n ASP 224 Cb 0.45 -1.69 0.00 0.00 -0.72 0.00 0.00 41.12 39.16 1xck n ASP 224 CO 0.00 0.00 0.00 2.29 -1.92 0.00 0.00 177.20 177.57 1xck n LYS 225 N 7.46 -0.83 -3.60 -0.67 2.85 -1.26 -3.95 118.16 118.17 1xck n LYS 225 Ca 0.46 0.00 -0.36 0.00 -1.05 0.00 0.00 58.31 57.36 1xck n LYS 225 Cb 0.44 0.00 -0.08 0.00 -0.65 0.00 0.00 35.03 34.74 1xck n LYS 225 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 177.40 177.50 1xck s LYS 226 N -2.00 4.18 -0.34 -1.58 1.02 -1.26 -0.87 119.74 118.88 1xck s LYS 226 Ca 0.00 -0.07 -0.12 0.00 0.02 0.00 0.00 55.97 55.80 1xck s LYS 226 Cb 0.00 -3.47 -0.01 0.00 -0.52 0.00 0.00 37.83 33.83 1xck s LYS 226 CO 0.00 0.16 0.22 0.42 -0.92 0.00 0.00 175.35 175.23 1xck s ILE 227 N 0.73 5.02 -0.17 2.17 1.01 -0.18 -4.92 121.20 124.86 1xck s ILE 227 Ca 0.12 -0.39 0.05 0.00 0.00 0.00 0.00 60.65 60.43 1xck s ILE 227 Cb -0.13 -3.62 -0.06 0.00 0.01 0.00 0.00 42.46 38.66 1xck s ILE 227 CO 0.03 -0.05 0.18 -1.20 0.00 0.00 0.00 174.94 173.90 1xck n SER 228 N 5.07 1.09 -3.93 3.58 7.64 -1.26 -1.08 113.62 124.72 1xck n SER 228 Ca -0.13 -0.47 -0.21 0.00 1.01 0.00 0.00 58.87 59.08 1xck n SER 228 Cb 0.49 1.05 -0.16 0.00 -1.01 0.00 0.00 64.21 64.58 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 -1.72 1.13 0.00 6.43 0.01 -1.26 -2.19 114.94 117.35 1xck s ASN 229 Ca 0.01 -0.17 0.05 0.00 -0.71 0.00 0.00 52.86 52.04 1xck s ASN 229 Cb 0.03 -0.52 0.30 0.00 0.41 0.00 0.00 41.25 41.47 1xck s ASN 229 CO 0.20 -0.02 0.87 0.00 -1.51 0.00 0.00 177.10 176.63 1xck n ILE 230 N 3.90 0.00 -0.11 0.60 3.06 -1.26 -3.45 119.36 122.09 1xck n ILE 230 Ca -0.24 0.00 -0.12 0.00 -2.50 0.00 0.00 62.75 59.89 1xck n ILE 230 Cb 0.51 -0.31 -0.03 0.00 0.54 0.00 0.00 39.64 40.35 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 0.00 0.71 -0.12 9.51 2.43 -1.98 -2.72 114.38 122.21 1xck h ARG 231 Ca 0.00 -0.32 -0.05 0.00 -0.81 0.00 0.00 59.98 58.80 1xck h ARG 231 Cb 0.00 -0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 29.52 1xck h ARG 231 CO 0.00 0.92 -0.17 0.93 -1.51 0.00 0.00 179.97 180.14 1xck h GLU 232 N 0.48 0.19 -0.39 0.20 5.08 -1.97 -3.12 114.58 115.06 1xck h GLU 232 Ca 0.07 -0.05 -0.12 0.00 -1.00 0.00 0.00 59.36 58.26 1xck h GLU 232 Cb 0.71 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.93 1xck h GLU 232 CO 0.05 0.37 -0.24 0.52 -1.00 0.00 0.00 179.01 178.70 1xck h MET 233 N 0.18 0.85 -0.55 2.33 2.86 -1.72 -3.31 114.93 115.57 1xck h MET 233 Ca 0.04 -0.40 0.08 0.00 -2.06 0.00 0.00 59.70 57.36 1xck h MET 233 Cb 0.41 -0.01 -0.08 0.00 0.06 0.00 0.00 31.60 31.98 1xck h MET 233 CO 0.03 1.04 -0.24 1.28 1.06 0.00 0.00 176.91 180.08 1xck n LEU 234 N -4.20 -0.40 -0.24 1.22 4.77 -1.04 -0.01 117.00 117.11 1xck n LEU 234 Ca -0.02 0.96 -0.03 0.00 -0.03 0.00 0.00 56.01 56.89 1xck n LEU 234 Cb 0.46 -0.20 0.08 0.00 -2.33 0.00 0.00 43.42 41.42 1xck n LEU 234 CO 0.46 -0.85 1.12 1.55 -1.33 0.00 0.00 177.39 178.34 1xck h PRO 235 N 0.00 0.77 -0.16 3.23 0.13 -1.81 -1.44 132.00 132.73 1xck h PRO 235 Ca 0.17 -0.05 -0.19 0.00 -0.87 0.00 0.00 66.00 65.06 1xck h PRO 235 Cb 0.31 -0.17 0.00 0.00 0.13 0.00 0.00 31.00 31.26 1xck h PRO 235 CO -0.54 0.51 -0.68 0.28 -0.23 0.00 0.00 178.00 177.34 1xck h VAL 236 N 0.80 1.32 -0.33 1.56 2.07 -0.66 -2.99 116.25 118.02 1xck h VAL 236 Ca 0.27 -1.95 -0.06 0.00 0.82 0.00 0.00 66.70 65.78 1xck h VAL 236 Cb 0.05 1.93 -0.02 0.00 -1.52 0.00 0.00 31.29 31.73 1xck h VAL 236 CO -0.12 0.61 -0.06 -0.07 0.02 0.00 0.00 177.57 177.95 1xck h LEU 237 N 0.45 0.50 -0.64 2.57 3.38 -0.56 -2.25 115.31 118.77 1xck h LEU 237 Ca -0.02 -0.11 -0.14 0.00 0.09 0.00 0.00 57.88 57.69 1xck h LEU 237 Cb 1.27 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 41.87 1xck h LEU 237 CO 0.13 0.62 -0.68 -0.33 0.09 0.00 0.00 178.44 178.27 1xck h GLU 238 N 0.50 0.01 -0.15 1.13 5.08 -1.26 0.56 114.58 120.45 1xck h GLU 238 Ca 0.10 -0.01 -0.12 0.00 -1.00 0.00 0.00 59.36 58.34 1xck h GLU 238 Cb 0.42 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.66 1xck h GLU 238 CO 0.02 0.68 -0.41 0.00 -1.00 0.00 0.00 179.01 178.30 1xck h ALA 239 N 1.31 1.02 0.00 3.43 0.00 -1.31 -2.17 119.26 121.55 1xck h ALA 239 Ca -0.01 -0.42 -0.06 0.00 0.00 0.00 0.00 54.91 54.42 1xck h ALA 239 Cb 1.21 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.89 1xck h ALA 239 CO 0.09 0.61 -0.30 0.28 0.00 0.00 0.00 179.25 179.93 1xck h VAL 240 N 0.28 0.45 -0.15 0.00 2.07 -1.12 -3.19 116.25 114.59 1xck h VAL 240 Ca 0.03 -1.64 -0.02 0.00 0.82 0.00 0.00 66.70 65.88 1xck h VAL 240 Cb 0.85 2.21 -0.01 0.00 -1.52 0.00 0.00 31.29 32.82 1xck h VAL 240 CO 0.07 0.26 -0.00 0.00 0.02 0.00 0.00 177.57 177.91 1xck h ALA 241 N 1.73 0.20 -2.01 1.67 0.00 -0.29 -3.25 119.26 117.31 1xck h ALA 241 Ca -0.01 -0.20 -0.42 0.00 0.00 0.00 0.00 54.91 54.28 1xck h ALA 241 Cb 1.21 -0.05 0.18 0.00 0.00 0.00 0.00 17.79 19.13 1xck h ALA 241 CO 0.03 -0.10 0.22 0.15 0.00 0.00 0.00 179.25 179.56 1xck s LYS 242 N -4.95 -0.69 0.00 0.00 1.02 -0.90 -2.75 119.74 111.46 1xck s LYS 242 Ca -0.14 -0.19 0.00 0.00 0.02 0.00 0.00 55.97 55.66 1xck s LYS 242 Cb 0.06 -1.67 0.00 0.00 -0.52 0.00 0.00 37.83 35.70 1xck s LYS 242 CO 0.72 -3.34 0.00 0.00 -0.92 0.00 0.00 175.35 171.81 1xck n ALA 243 N -4.47 0.00 -3.65 5.17 0.00 -1.26 -4.23 120.51 112.07 1xck n ALA 243 Ca 0.14 0.00 -0.23 0.00 0.00 0.00 0.00 53.44 53.35 1xck n ALA 243 Cb 0.59 0.00 0.06 0.00 0.00 0.00 0.00 19.45 20.11 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 0.00 -0.45 3.40 0.00 0.00 -1.11 -5.02 105.19 102.01 1xck n GLY 244 Ca 0.00 0.18 -0.27 0.00 0.00 0.00 0.00 46.02 45.93 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 -6.10 1.44 1.07 1.61 1.02 -1.23 -5.09 119.74 112.45 1xck s LYS 245 Ca 0.36 -1.43 -0.13 0.00 0.02 0.00 0.00 55.97 54.79 1xck s LYS 245 Cb -0.17 -1.82 0.22 0.00 -0.52 0.00 0.00 37.83 35.55 1xck s LYS 245 CO 0.77 0.41 1.08 -1.25 -0.92 0.00 0.00 175.35 175.44 1xck s PRO 246 N -2.39 -0.11 -0.01 -1.68 0.04 -1.26 -4.80 135.00 124.79 1xck s PRO 246 Ca 0.17 0.50 0.01 0.00 0.04 0.00 0.00 61.00 61.72 1xck s PRO 246 Cb -0.09 -1.68 0.00 0.00 0.04 0.00 0.00 34.50 32.78 1xck s PRO 246 CO 0.08 -3.09 -0.03 -1.17 0.04 0.00 0.00 177.00 172.82 1xck s LEU 247 N -6.70 1.84 -0.19 -3.56 2.96 0.01 -1.24 118.68 111.79 1xck s LEU 247 Ca 0.67 -0.07 -0.02 0.00 -0.22 0.00 0.00 54.13 54.49 1xck s LEU 247 Cb -0.19 -0.22 0.00 0.00 0.50 0.00 0.00 46.19 46.28 1xck s LEU 247 CO 0.59 0.02 -0.11 -0.22 -1.32 0.00 0.00 176.35 175.31 1xck s LEU 248 N 0.14 2.58 -0.28 -0.68 2.96 0.42 -1.28 118.68 122.54 1xck s LEU 248 Ca -0.01 -0.48 -0.12 0.00 -0.22 0.00 0.00 54.13 53.30 1xck s LEU 248 Cb -0.04 -1.63 -0.05 0.00 0.50 0.00 0.00 46.19 44.98 1xck s LEU 248 CO -0.00 0.01 0.22 -0.63 -1.32 0.00 0.00 176.35 174.62 1xck s ILE 249 N 1.28 5.29 -0.33 6.68 -1.09 0.10 -0.38 121.20 132.76 1xck s ILE 249 Ca 0.03 0.19 0.00 0.00 -2.23 0.00 0.00 60.65 58.65 1xck s ILE 249 Cb -0.14 -3.56 0.08 0.00 -1.58 0.00 0.00 42.46 37.25 1xck s ILE 249 CO -0.06 0.22 0.04 -0.63 -1.23 0.00 0.00 174.94 173.28 1xck s ILE 250 N 1.80 2.70 0.42 2.92 1.01 0.15 -0.93 121.20 129.27 1xck s ILE 250 Ca 0.08 -1.85 0.04 0.00 0.00 0.00 0.00 60.65 58.92 1xck s ILE 250 Cb -0.16 -2.74 -0.02 0.00 0.01 0.00 0.00 42.46 39.55 1xck s ILE 250 CO 0.11 -0.36 0.15 0.00 0.00 0.00 0.00 174.94 174.84 1xck s ALA 251 N 1.10 3.00 0.46 9.38 0.00 -1.12 -1.57 121.76 133.02 1xck s ALA 251 Ca 0.01 -1.15 0.12 0.00 0.00 0.00 0.00 51.96 50.95 1xck s ALA 251 Cb -0.20 0.79 1.06 0.00 0.00 0.00 0.00 23.12 24.77 1xck s ALA 251 CO -0.04 -0.35 2.08 1.49 0.00 0.00 0.00 175.76 178.93 1xck h GLU 252 N 1.73 0.18 -1.01 0.00 4.81 -0.89 0.29 114.58 119.70 1xck h GLU 252 Ca -0.34 -0.02 0.33 0.00 -0.13 0.00 0.00 59.36 59.20 1xck h GLU 252 Cb 1.28 -0.04 -0.22 0.00 0.63 0.00 0.00 28.75 30.40 1xck h GLU 252 CO 0.53 0.17 1.00 0.34 -0.73 0.00 0.00 179.01 180.32 1xck s ASP 253 N -6.93 -0.00 -0.20 1.04 -1.08 -1.24 -4.43 116.67 103.82 1xck s ASP 253 Ca -0.06 0.00 -0.02 0.00 -0.52 0.00 0.00 52.55 51.95 1xck s ASP 253 Cb 0.17 0.00 0.06 0.00 -1.46 0.00 0.00 42.92 41.69 1xck s ASP 253 CO 0.70 -0.00 0.02 -0.69 0.52 0.00 0.00 175.17 175.71 1xck s VAL 254 N -1.85 0.74 0.55 1.11 1.01 -1.26 -1.01 120.40 119.69 1xck s VAL 254 Ca 0.12 -0.71 0.03 0.00 0.00 0.00 0.00 61.98 61.41 1xck s VAL 254 Cb -0.01 -1.20 0.02 0.00 0.00 0.00 0.00 36.38 35.19 1xck s VAL 254 CO -0.03 -0.19 0.22 -1.61 0.00 0.00 0.00 175.10 173.49 1xck s GLU 255 N 1.76 2.23 0.00 2.72 2.02 -0.24 -4.62 118.70 122.57 1xck s GLU 255 Ca -0.02 -2.25 0.00 0.00 0.02 0.00 0.00 54.97 52.72 1xck s GLU 255 Cb -0.17 -1.82 0.00 0.00 0.10 0.00 0.00 34.13 32.24 1xck s GLU 255 CO -0.08 -0.55 0.00 0.41 0.02 0.00 0.00 175.26 175.06 1xck n GLY 256 N -1.58 0.00 0.33 -1.39 0.00 -1.26 -1.59 105.19 99.69 1xck n GLY 256 Ca -0.11 0.00 0.20 0.00 0.00 0.00 0.00 46.02 46.11 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 -0.07 0.31 1.61 0.00 -1.20 -0.26 120.64 121.03 1xck n GLU 257 Ca 0.00 1.41 -0.16 0.00 0.00 0.00 0.00 57.16 58.42 1xck n GLU 257 Cb 0.00 -2.34 -0.08 0.00 0.00 0.00 0.00 31.44 29.02 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 1.94 -0.79 -0.46 4.31 0.00 -1.03 -0.30 119.26 122.92 1xck h ALA 258 Ca 0.66 -0.20 0.03 0.00 0.00 0.00 0.00 54.91 55.40 1xck h ALA 258 Cb 1.52 0.30 -0.03 0.00 0.00 0.00 0.00 17.79 19.59 1xck h ALA 258 CO -0.86 -0.84 0.26 1.25 0.00 0.00 0.00 179.25 179.06 1xck h LEU 259 N -0.98 0.40 -0.16 0.00 5.85 -0.21 -0.86 115.31 119.35 1xck h LEU 259 Ca -0.08 0.01 0.04 0.00 0.84 0.00 0.00 57.88 58.70 1xck h LEU 259 Cb 0.66 -0.07 -0.05 0.00 0.37 0.00 0.00 40.66 41.57 1xck h LEU 259 CO 0.13 0.29 -0.13 0.00 -0.34 0.00 0.00 178.44 178.39 1xck h ALA 260 N 1.22 -0.00 -0.93 1.25 0.00 -0.59 0.80 119.26 121.00 1xck h ALA 260 Ca 0.19 0.06 -0.00 0.00 0.00 0.00 0.00 54.91 55.16 1xck h ALA 260 Cb 0.05 0.28 -0.05 0.00 0.00 0.00 0.00 17.79 18.07 1xck h ALA 260 CO -0.11 -0.57 0.57 1.15 0.00 0.00 0.00 179.25 180.30 1xck h THR 261 N -0.14 1.25 0.03 0.00 2.02 -0.57 -1.89 112.91 113.61 1xck h THR 261 Ca 0.10 -0.53 -0.00 0.00 0.77 0.00 0.00 66.41 66.75 1xck h THR 261 Cb 0.29 -0.07 0.00 0.00 -1.74 0.00 0.00 68.15 66.62 1xck h THR 261 CO -0.25 0.26 -0.02 -0.07 0.37 0.00 0.00 175.52 175.82 1xck h LEU 262 N 1.28 -0.04 -0.88 2.58 3.38 -0.46 -0.81 115.31 120.36 1xck h LEU 262 Ca 0.34 -0.24 0.17 0.00 0.09 0.00 0.00 57.88 58.24 1xck h LEU 262 Cb -0.08 0.01 -0.10 0.00 0.09 0.00 0.00 40.66 40.58 1xck h LEU 262 CO -0.07 0.22 0.45 0.58 0.09 0.00 0.00 178.44 179.71 1xck h VAL 263 N -0.29 0.66 0.04 1.22 2.07 -0.61 -1.80 116.25 117.54 1xck h VAL 263 Ca -0.00 -0.20 -0.00 0.00 0.82 0.00 0.00 66.70 67.31 1xck h VAL 263 Cb 0.27 0.02 0.00 0.00 -1.52 0.00 0.00 31.29 30.07 1xck h VAL 263 CO 0.01 0.11 -0.02 0.58 0.02 0.00 0.00 177.57 178.26 1xck h VAL 264 N 0.59 0.00 -0.95 2.57 2.07 -1.11 -2.97 116.25 116.45 1xck h VAL 264 Ca 0.50 -0.03 0.19 0.00 0.82 0.00 0.00 66.70 68.18 1xck h VAL 264 Cb 0.79 0.00 -0.18 0.00 -1.52 0.00 0.00 31.29 30.38 1xck h VAL 264 CO -0.41 0.00 -0.23 0.78 0.02 0.00 0.00 177.57 177.73 1xck h ASN 265 N -0.09 -0.88 0.64 0.57 -0.26 -1.03 0.80 115.58 115.34 1xck h ASN 265 Ca -0.01 0.28 -0.02 0.00 -0.56 0.00 0.00 56.30 56.00 1xck h ASN 265 Cb 0.04 0.59 -0.00 0.00 -1.06 0.00 0.00 38.32 37.89 1xck h ASN 265 CO 0.01 -0.31 -0.09 0.71 -1.06 0.00 0.00 177.43 176.69 1xck h THR 266 N 0.00 0.30 -0.24 2.81 1.35 -1.39 -0.59 112.91 115.15 1xck h THR 266 Ca 0.46 -0.57 0.00 0.00 -0.55 0.00 0.00 66.41 65.75 1xck h THR 266 Cb 0.70 1.43 0.00 0.00 -1.73 0.00 0.00 68.15 68.55 1xck h THR 266 CO -0.97 0.08 0.00 0.80 -0.25 0.00 0.00 175.52 175.18 1xck n MET 267 N -3.33 1.55 -0.82 4.72 0.00 0.27 -3.28 117.12 116.23 1xck n MET 267 Ca -0.01 -0.85 0.03 0.00 0.00 0.00 0.00 57.70 56.87 1xck n MET 267 Cb 0.27 -1.19 0.04 0.00 0.00 0.00 0.00 33.22 32.35 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 0.19 0.26 -0.95 2.12 1.74 -0.31 -4.98 116.66 114.73 1xck n ARG 268 Ca 0.08 -1.71 0.00 0.00 -0.77 0.00 0.00 57.85 55.45 1xck n ARG 268 Cb 0.20 -0.51 0.00 0.00 -1.02 0.00 0.00 32.46 31.13 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 -0.06 0.00 2.81 -0.13 0.00 -1.18 -4.84 105.19 101.79 1xck n GLY 269 Ca 0.05 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.65 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 -1.99 4.64 -0.48 -0.61 5.41 -0.72 -4.77 119.36 120.83 1xck n ILE 270 Ca 0.00 -4.58 0.00 0.00 1.00 0.00 0.00 62.75 59.17 1xck n ILE 270 Cb 0.45 -2.27 0.00 0.00 -0.71 0.00 0.00 39.64 37.12 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 2.77 -1.66 -2.68 1.39 0.31 -1.26 -4.30 118.33 112.90 1xck n VAL 271 Ca 0.42 0.00 -0.43 0.00 -0.01 0.00 0.00 64.34 64.32 1xck n VAL 271 Cb 0.34 -1.80 -0.02 0.00 -0.91 0.00 0.00 33.84 31.45 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 -2.81 4.01 0.20 5.55 3.01 -1.26 -3.62 119.74 124.82 1xck s LYS 272 Ca 0.00 0.94 0.04 0.00 -1.01 0.00 0.00 55.97 55.94 1xck s LYS 272 Cb 0.00 -3.76 -0.05 0.00 -1.01 0.00 0.00 37.83 33.01 1xck s LYS 272 CO 0.00 -0.93 -0.03 0.08 0.51 0.00 0.00 175.35 174.98 1xck s VAL 273 N 3.65 1.05 -0.26 3.17 1.01 -1.26 -0.81 120.40 126.95 1xck s VAL 273 Ca 0.44 -2.04 -0.21 0.00 0.00 0.00 0.00 61.98 60.17 1xck s VAL 273 Cb -0.12 -2.19 0.07 0.00 0.00 0.00 0.00 36.38 34.14 1xck s VAL 273 CO 0.17 -0.45 0.67 0.00 0.00 0.00 0.00 175.10 175.48 1xck s ALA 274 N -3.41 -1.69 0.04 5.51 0.00 -0.40 -4.90 121.76 116.91 1xck s ALA 274 Ca 0.25 2.00 0.06 0.00 0.00 0.00 0.00 51.96 54.27 1xck s ALA 274 Cb 0.05 -1.17 -0.02 0.00 0.00 0.00 0.00 23.12 21.97 1xck s ALA 274 CO 0.06 -0.33 -0.18 0.00 0.00 0.00 0.00 175.76 175.31 1xck s ALA 275 N 0.67 1.48 0.04 0.00 0.00 -1.26 0.02 121.76 122.71 1xck s ALA 275 Ca -0.03 -0.94 -0.08 0.00 0.00 0.00 0.00 51.96 50.91 1xck s ALA 275 Cb -0.05 -0.27 -0.00 0.00 0.00 0.00 0.00 23.12 22.80 1xck s ALA 275 CO -0.04 0.31 0.16 0.14 0.00 0.00 0.00 175.76 176.33 1xck s VAL 276 N -0.81 0.11 0.53 0.00 -7.23 -0.11 -1.39 120.40 111.50 1xck s VAL 276 Ca 0.05 -0.95 -0.20 0.00 -1.81 0.00 0.00 61.98 59.07 1xck s VAL 276 Cb -0.08 -0.87 -0.06 0.00 0.56 0.00 0.00 36.38 35.93 1xck s VAL 276 CO 0.01 -0.52 1.13 -0.54 -0.31 0.00 0.00 175.10 174.87 1xck s LYS 277 N -2.48 3.45 0.62 4.82 1.02 -1.26 -2.81 119.74 123.11 1xck s LYS 277 Ca -0.06 1.62 -0.16 0.00 0.02 0.00 0.00 55.97 57.38 1xck s LYS 277 Cb -0.02 -2.07 -0.02 0.00 -0.52 0.00 0.00 37.83 35.20 1xck s LYS 277 CO -0.04 -0.77 1.12 0.00 -0.92 0.00 0.00 175.35 174.74 1xck s ALA 278 N -1.75 2.55 0.57 5.17 0.00 0.10 -4.78 121.76 123.62 1xck s ALA 278 Ca 0.71 0.64 -0.19 0.00 0.00 0.00 0.00 51.96 53.12 1xck s ALA 278 Cb -0.24 -3.33 -0.04 0.00 0.00 0.00 0.00 23.12 19.51 1xck s ALA 278 CO 0.27 -1.10 1.13 -1.25 0.00 0.00 0.00 175.76 174.82 1xck s PRO 279 N -3.83 3.21 2.05 0.00 0.04 -1.26 -4.86 135.00 130.35 1xck s PRO 279 Ca 0.69 1.59 0.00 0.00 0.04 0.00 0.00 61.00 63.32 1xck s PRO 279 Cb -0.22 -1.99 0.00 0.00 0.04 0.00 0.00 34.50 32.34 1xck s PRO 279 CO 0.37 -0.96 0.00 0.41 0.04 0.00 0.00 177.00 176.85 1xck n GLY 280 N 0.07 -0.75 3.46 0.56 0.00 -1.26 -4.45 105.19 102.83 1xck n GLY 280 Ca 0.12 -1.05 -0.16 0.00 0.00 0.00 0.00 46.02 44.92 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 1.22 0.00 1.61 -0.71 -1.26 -4.81 117.98 114.03 1xck s PHE 281 Ca 0.00 -1.39 0.00 0.00 -1.04 0.00 0.00 56.93 54.50 1xck s PHE 281 Cb 0.00 -0.19 0.00 0.00 -1.21 0.00 0.00 43.02 41.62 1xck s PHE 281 CO 0.00 -1.12 0.00 0.41 -1.34 0.00 0.00 175.22 173.17 1xck n GLY 282 N -0.60 1.42 0.24 1.99 0.00 -1.26 -2.27 105.19 104.71 1xck n GLY 282 Ca 0.02 -0.54 -0.10 0.00 0.00 0.00 0.00 46.02 45.40 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 7.57 0.79 0.37 1.61 3.32 -2.01 -2.64 116.42 125.43 1xck h ASP 283 Ca 0.00 -0.31 0.00 0.00 0.02 0.00 0.00 57.03 56.74 1xck h ASP 283 Cb 0.00 -0.21 0.00 0.00 0.22 0.00 0.00 39.33 39.34 1xck h ASP 283 CO 0.00 0.91 0.00 0.08 -1.72 0.00 0.00 179.24 178.51 1xck h ARG 284 N 0.65 0.00 -0.12 3.56 0.11 -1.97 -0.92 114.38 115.69 1xck h ARG 284 Ca 0.13 0.00 -0.18 0.00 0.10 0.00 0.00 59.98 60.03 1xck h ARG 284 Cb 0.51 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 31.59 1xck h ARG 284 CO 0.03 0.00 -0.68 -0.09 0.10 0.00 0.00 179.97 179.33 1xck h ARG 285 N 0.00 0.51 -0.05 0.08 2.43 -1.07 -2.41 114.38 113.88 1xck h ARG 285 Ca 0.00 -0.38 -0.13 0.00 -0.81 0.00 0.00 59.98 58.66 1xck h ARG 285 Cb 0.19 0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 29.79 1xck h ARG 285 CO 0.00 1.00 -0.56 0.87 -1.51 0.00 0.00 179.97 179.78 1xck h LYS 286 N 0.36 0.14 -0.35 0.20 1.57 -1.22 -2.08 116.57 115.19 1xck h LYS 286 Ca -0.02 -0.09 -0.12 0.00 -1.87 0.00 0.00 60.65 58.55 1xck h LYS 286 Cb 1.25 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 33.56 1xck h LYS 286 CO 0.12 0.66 -0.26 0.00 -0.57 0.00 0.00 179.45 179.40 1xck h ALA 287 N 1.32 0.50 -0.04 3.86 0.00 -1.36 -2.97 119.26 120.57 1xck h ALA 287 Ca -0.00 -0.39 -0.12 0.00 0.00 0.00 0.00 54.91 54.40 1xck h ALA 287 Cb 1.02 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.68 1xck h ALA 287 CO 0.08 0.50 -0.51 0.52 0.00 0.00 0.00 179.25 179.84 1xck h MET 288 N 0.57 0.12 -0.37 0.00 2.86 -1.31 -0.97 114.93 115.83 1xck h MET 288 Ca 0.07 -0.07 -0.03 0.00 -2.06 0.00 0.00 59.70 57.60 1xck h MET 288 Cb 0.83 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.47 1xck h MET 288 CO 0.07 0.60 0.08 -0.07 1.06 0.00 0.00 176.91 178.66 1xck h LEU 289 N 0.09 0.50 -0.18 1.22 3.38 -1.29 -0.39 115.31 118.65 1xck h LEU 289 Ca 0.00 -0.07 -0.12 0.00 0.09 0.00 0.00 57.88 57.78 1xck h LEU 289 Cb 0.93 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.56 1xck h LEU 289 CO 0.07 0.51 -0.38 -0.61 0.09 0.00 0.00 178.44 178.12 1xck h GLN 290 N 0.53 0.57 -0.30 1.13 5.75 -1.24 -1.51 115.11 120.04 1xck h GLN 290 Ca 0.12 -0.37 0.07 0.00 -0.15 0.00 0.00 58.65 58.32 1xck h GLN 290 Cb 0.21 0.05 -0.07 0.00 1.07 0.00 0.00 27.48 28.75 1xck h GLN 290 CO -0.00 0.99 -0.14 -0.44 -2.65 0.00 0.00 178.83 176.59 1xck h ASP 291 N 0.22 -0.47 -0.56 -0.69 3.32 -0.41 0.48 116.42 118.30 1xck h ASP 291 Ca 0.00 0.11 0.03 0.00 0.02 0.00 0.00 57.03 57.20 1xck h ASP 291 Cb 0.98 0.26 -0.04 0.00 0.22 0.00 0.00 39.33 40.75 1xck h ASP 291 CO 0.08 -0.17 0.33 0.40 -1.72 0.00 0.00 179.24 178.16 1xck h ILE 292 N -0.09 1.04 0.01 0.35 2.04 -1.04 -1.87 117.51 117.94 1xck h ILE 292 Ca 0.15 -0.22 0.03 0.00 1.00 0.00 0.00 64.86 65.82 1xck h ILE 292 Cb 0.33 0.33 -0.05 0.00 -0.74 0.00 0.00 36.82 36.69 1xck h ILE 292 CO -0.36 0.12 -0.34 0.00 0.00 0.00 0.00 178.15 177.57 1xck h ALA 293 N 1.26 -0.51 -0.27 1.87 0.00 -0.13 -0.87 119.26 120.61 1xck h ALA 293 Ca 0.23 -0.02 0.06 0.00 0.00 0.00 0.00 54.91 55.18 1xck h ALA 293 Cb 0.05 0.60 -0.07 0.00 0.00 0.00 0.00 17.79 18.38 1xck h ALA 293 CO -0.11 -0.86 -0.19 1.15 0.00 0.00 0.00 179.25 179.23 1xck h THR 294 N -0.50 0.47 -0.37 0.00 2.02 -0.59 0.26 112.91 114.20 1xck h THR 294 Ca 0.06 0.00 0.05 0.00 0.77 0.00 0.00 66.41 67.29 1xck h THR 294 Cb 0.58 0.47 -0.02 0.00 -1.74 0.00 0.00 68.15 67.44 1xck h THR 294 CO -0.27 0.00 0.25 0.25 0.37 0.00 0.00 175.52 176.12 1xck h LEU 295 N -0.18 0.25 -2.37 2.58 7.12 -0.99 -2.45 115.31 119.27 1xck h LEU 295 Ca 0.15 -0.00 0.00 0.00 0.13 0.00 0.00 57.88 58.16 1xck h LEU 295 Cb 0.40 -0.06 0.00 0.00 -0.53 0.00 0.00 40.66 40.48 1xck h LEU 295 CO -0.38 0.17 0.00 0.35 -0.13 0.00 0.00 178.44 178.45 1xck n THR 296 N -4.48 0.61 -3.28 1.05 -2.24 -0.36 -1.80 114.28 103.77 1xck n THR 296 Ca 0.04 -0.80 -0.23 0.00 -2.27 0.00 0.00 64.05 60.79 1xck n THR 296 Cb 0.23 0.84 0.06 0.00 -2.10 0.00 0.00 70.33 69.35 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 1.04 -0.49 3.82 3.38 0.00 0.72 -0.56 105.19 113.10 1xck n GLY 297 Ca 0.15 0.17 -0.28 0.00 0.00 0.00 0.00 46.02 46.06 1xck n GLY 297 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1xck s GLY 298 N -3.02 2.56 -0.12 -0.02 0.00 -0.06 -4.56 107.32 102.11 1xck s GLY 298 Ca 0.43 -1.19 0.03 0.00 0.00 0.00 0.00 44.72 43.99 1xck s GLY 298 CO 0.54 -2.01 -0.19 -1.59 0.00 0.00 0.00 173.10 169.84 1xck s THR 299 N -2.76 1.81 0.22 0.90 2.01 0.27 -4.44 115.64 113.64 1xck s THR 299 Ca 0.27 -0.84 -0.30 0.00 0.31 0.00 0.00 61.69 61.13 1xck s THR 299 Cb 0.00 -1.60 -0.09 0.00 0.01 0.00 0.00 72.50 70.82 1xck s THR 299 CO 0.16 0.50 1.21 -0.69 -0.69 0.00 0.00 174.62 175.11 1xck s VAL 300 N 0.76 3.40 -0.88 3.82 1.01 -1.26 -4.56 120.40 122.70 1xck s VAL 300 Ca -0.10 1.23 -0.08 0.00 0.00 0.00 0.00 61.98 63.04 1xck s VAL 300 Cb -0.16 -3.79 0.22 0.00 0.00 0.00 0.00 36.38 32.66 1xck s VAL 300 CO 0.01 0.22 0.79 -0.63 0.00 0.00 0.00 175.10 175.49 1xck s ILE 301 N -0.33 5.05 -0.11 2.22 1.01 0.42 -4.98 121.20 124.48 1xck s ILE 301 Ca 0.52 -3.14 -0.12 0.00 0.00 0.00 0.00 60.65 57.91 1xck s ILE 301 Cb -0.34 -4.12 -0.05 0.00 0.01 0.00 0.00 42.46 37.96 1xck s ILE 301 CO 0.39 -1.05 0.27 -0.94 0.00 0.00 0.00 174.94 173.61 1xck s SER 302 N 1.11 6.51 0.22 3.58 1.04 -1.26 -2.58 113.70 122.32 1xck s SER 302 Ca 0.23 0.61 -0.07 0.00 0.48 0.00 0.00 55.95 57.20 1xck s SER 302 Cb -0.11 -2.16 0.18 0.00 0.10 0.00 0.00 66.02 64.02 1xck s SER 302 CO -0.08 0.26 1.75 -0.33 0.98 0.00 0.00 173.24 175.81 1xck h GLU 303 N 5.62 1.09 -0.70 4.02 5.08 -1.74 -2.49 114.58 125.46 1xck h GLU 303 Ca -0.48 -0.25 0.07 0.00 -1.00 0.00 0.00 59.36 57.70 1xck h GLU 303 Cb 1.20 -0.15 -0.09 0.00 0.50 0.00 0.00 28.75 30.20 1xck h GLU 303 CO 0.66 0.95 -0.51 0.93 -1.00 0.00 0.00 179.01 180.05 1xck h GLU 304 N 1.04 -0.12 0.00 2.33 5.08 -1.90 1.74 114.58 122.76 1xck h GLU 304 Ca 0.22 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.59 1xck h GLU 304 Cb 0.34 0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.62 1xck h GLU 304 CO -0.00 -0.08 0.00 -0.89 -1.00 0.00 0.00 179.01 177.04 1xck n ILE 305 N -5.00 1.47 -0.76 3.13 5.41 -1.19 -4.79 119.36 117.63 1xck n ILE 305 Ca 0.00 0.37 0.00 0.00 1.00 0.00 0.00 62.75 64.12 1xck n ILE 305 Cb 0.25 -1.33 0.00 0.00 -0.71 0.00 0.00 39.64 37.85 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 -1.21 0.89 3.86 7.39 0.00 0.59 -5.08 105.19 111.64 1xck n GLY 306 Ca 0.01 -0.53 -0.32 0.00 0.00 0.00 0.00 46.02 45.18 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 -1.73 3.91 0.00 1.61 -1.94 -0.94 -4.99 119.30 115.22 1xck s MET 307 Ca 0.00 0.50 0.08 0.00 -1.71 0.00 0.00 55.69 54.56 1xck s MET 307 Cb 0.00 -2.52 -0.02 0.00 2.01 0.00 0.00 34.83 34.30 1xck s MET 307 CO 0.00 0.22 -0.24 -1.21 -0.01 0.00 0.00 175.02 173.77 1xck s GLU 308 N -2.95 1.86 0.50 2.03 2.02 -1.26 -4.26 118.70 116.64 1xck s GLU 308 Ca 0.51 -0.94 0.25 0.00 0.02 0.00 0.00 54.97 54.82 1xck s GLU 308 Cb -0.11 -1.88 1.31 0.00 0.10 0.00 0.00 34.13 33.55 1xck s GLU 308 CO 0.19 0.50 2.01 -0.07 0.02 0.00 0.00 175.26 177.92 1xck h LEU 309 N 5.27 0.00 -1.39 1.80 3.38 -1.93 -2.10 115.31 120.35 1xck h LEU 309 Ca -0.43 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.49 1xck h LEU 309 Cb 1.13 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.88 1xck h LEU 309 CO 0.46 0.15 -0.23 -0.33 0.09 0.00 0.00 178.44 178.58 1xck h GLU 310 N 0.00 0.00 -0.63 1.13 3.07 -1.94 -2.37 114.58 113.84 1xck h GLU 310 Ca -0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 1xck h GLU 310 Cb 0.42 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.33 1xck h GLU 310 CO 0.02 0.23 0.00 1.63 -1.40 0.00 0.00 179.01 179.50 1xck n LYS 311 N -3.59 4.21 -3.06 2.33 5.02 -0.79 -4.82 118.16 117.46 1xck n LYS 311 Ca -0.01 -2.78 -0.40 0.00 -2.02 0.00 0.00 58.31 53.10 1xck n LYS 311 Cb 0.37 -2.09 -0.05 0.00 -0.02 0.00 0.00 35.03 33.25 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 -2.35 3.36 0.22 7.82 0.00 -0.89 -4.97 121.76 124.94 1xck s ALA 312 Ca 0.49 0.10 0.08 0.00 0.00 0.00 0.00 51.96 52.62 1xck s ALA 312 Cb 0.35 -2.95 -0.04 0.00 0.00 0.00 0.00 23.12 20.49 1xck s ALA 312 CO 0.17 -0.13 0.05 0.95 0.00 0.00 0.00 175.76 176.80 1xck s THR 313 N 0.87 3.84 0.59 0.00 -4.23 -1.26 -4.49 115.64 110.96 1xck s THR 313 Ca 0.37 -1.56 0.31 0.00 -1.18 0.00 0.00 61.69 59.63 1xck s THR 313 Cb -0.17 -3.01 0.44 0.00 1.34 0.00 0.00 72.50 71.10 1xck s THR 313 CO 0.17 -0.25 1.58 -0.07 -0.54 0.00 0.00 174.62 175.51 1xck h LEU 314 N 2.15 0.00 -0.46 4.79 3.38 -1.94 0.51 115.31 123.74 1xck h LEU 314 Ca -0.46 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.38 1xck h LEU 314 Cb 1.23 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.96 1xck h LEU 314 CO 0.60 0.00 -0.58 -0.08 0.09 0.00 0.00 178.44 178.47 1xck h GLU 315 N 0.00 0.00 0.00 1.13 4.81 -1.99 -2.86 114.58 115.66 1xck h GLU 315 Ca 0.45 0.00 -0.03 0.00 -0.13 0.00 0.00 59.36 59.65 1xck h GLU 315 Cb 2.37 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 31.74 1xck h GLU 315 CO -0.00 0.58 -0.15 -0.44 -0.73 0.00 0.00 179.01 178.26 1xck h ASP 316 N 0.00 0.00 -3.92 1.04 3.32 -0.33 -3.43 116.42 113.10 1xck h ASP 316 Ca -0.01 0.00 -0.51 0.00 0.02 0.00 0.00 57.03 56.53 1xck h ASP 316 Cb 1.24 0.00 0.06 0.00 0.22 0.00 0.00 39.33 40.85 1xck h ASP 316 CO 0.07 0.15 0.55 -0.76 -1.72 0.00 0.00 179.24 177.54 1xck s LEU 317 N -6.64 4.27 0.85 1.55 1.02 -1.08 0.94 118.68 119.59 1xck s LEU 317 Ca 0.01 2.47 -0.09 0.00 0.02 0.00 0.00 54.13 56.54 1xck s LEU 317 Cb 0.10 -3.89 0.17 0.00 0.02 0.00 0.00 46.19 42.58 1xck s LEU 317 CO 0.61 -0.65 1.18 -0.83 0.02 0.00 0.00 176.35 176.68 1xck s GLY 318 N -0.90 1.77 -0.14 -3.19 0.00 0.74 -4.38 107.32 101.23 1xck s GLY 318 Ca 0.54 -1.42 -0.23 0.00 0.00 0.00 0.00 44.72 43.62 1xck s GLY 318 CO 0.44 -0.74 0.58 1.62 0.00 0.00 0.00 173.10 175.00 1xck s GLN 319 N -5.56 0.81 0.06 2.90 0.74 0.27 -1.10 119.66 117.78 1xck s GLN 319 Ca 0.70 0.50 -0.18 0.00 0.05 0.00 0.00 55.36 56.43 1xck s GLN 319 Cb -0.05 0.39 0.04 0.00 1.10 0.00 0.00 33.01 34.49 1xck s GLN 319 CO 0.49 -0.18 0.42 0.00 -0.55 0.00 0.00 175.29 175.47 1xck s ALA 320 N -0.41 -1.03 0.34 1.58 0.00 -1.21 -1.57 121.76 119.46 1xck s ALA 320 Ca -0.06 0.28 0.07 0.00 0.00 0.00 0.00 51.96 52.25 1xck s ALA 320 Cb -0.03 0.40 0.62 0.00 0.00 0.00 0.00 23.12 24.11 1xck s ALA 320 CO 0.04 -0.49 1.83 0.87 0.00 0.00 0.00 175.76 178.01 1xck h LYS 321 N 2.89 0.33 -1.89 0.00 1.57 -0.78 -3.14 116.57 115.54 1xck h LYS 321 Ca -0.32 -0.10 -0.02 0.00 -1.87 0.00 0.00 60.65 58.35 1xck h LYS 321 Cb 1.21 -0.03 -0.21 0.00 0.08 0.00 0.00 32.23 33.28 1xck h LYS 321 CO 0.44 0.51 0.25 0.50 -0.57 0.00 0.00 179.45 180.58 1xck s ARG 322 N -4.60 0.86 -0.00 3.15 3.52 -0.80 -0.13 118.95 120.95 1xck s ARG 322 Ca -0.06 0.50 0.02 0.00 -0.13 0.00 0.00 55.73 56.06 1xck s ARG 322 Cb 0.15 0.41 -0.01 0.00 -1.56 0.00 0.00 34.95 33.94 1xck s ARG 322 CO 0.76 -0.21 -0.07 0.14 -0.81 0.00 0.00 175.30 175.11 1xck s VAL 323 N -0.56 0.53 -0.06 7.11 -7.23 -0.93 0.57 120.40 119.83 1xck s VAL 323 Ca -0.05 -0.36 0.03 0.00 -1.81 0.00 0.00 61.98 59.80 1xck s VAL 323 Cb -0.02 -0.46 0.00 0.00 0.56 0.00 0.00 36.38 36.46 1xck s VAL 323 CO 0.04 0.10 -0.15 -0.69 -0.31 0.00 0.00 175.10 174.09 1xck s VAL 324 N -0.26 1.34 -0.11 1.32 1.01 -0.42 -2.10 120.40 121.17 1xck s VAL 324 Ca 0.02 -0.64 0.01 0.00 0.00 0.00 0.00 61.98 61.37 1xck s VAL 324 Cb -0.03 -1.18 0.02 0.00 0.00 0.00 0.00 36.38 35.19 1xck s VAL 324 CO -0.00 0.39 -0.13 -0.63 0.00 0.00 0.00 175.10 174.73 1xck s ILE 325 N 0.30 1.40 0.00 2.22 1.01 0.20 -0.72 121.20 125.62 1xck s ILE 325 Ca -0.09 -0.57 0.00 0.00 0.00 0.00 0.00 60.65 59.99 1xck s ILE 325 Cb -0.13 -1.31 0.00 0.00 0.01 0.00 0.00 42.46 41.03 1xck s ILE 325 CO 0.03 0.42 0.00 0.59 0.00 0.00 0.00 174.94 175.99 1xck n ASN 326 N 4.40 0.00 0.12 3.58 3.02 0.24 -0.63 115.26 125.99 1xck n ASN 326 Ca -0.18 0.00 0.04 0.00 -0.03 0.00 0.00 54.58 54.41 1xck n ASN 326 Cb 0.51 0.00 0.01 0.00 -0.61 0.00 0.00 39.78 39.69 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 -2.24 116.57 119.55 1xck h LYS 327 Ca 0.00 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.37 1xck h LYS 327 Cb 0.00 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 31.80 1xck h LYS 327 CO 0.00 0.34 -0.35 -0.40 -2.27 0.00 0.00 179.45 176.77 1xck n ASP 328 N -3.07 0.02 -3.72 4.20 5.68 -1.26 -3.95 116.55 114.45 1xck n ASP 328 Ca -0.01 -1.66 -0.14 0.00 -0.50 0.00 0.00 54.79 52.48 1xck n ASP 328 Cb 0.72 -0.12 -0.14 0.00 -1.14 0.00 0.00 41.12 40.44 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 -0.11 -0.15 2.12 2.01 -1.14 -2.42 115.64 115.94 1xck s THR 329 Ca 0.02 0.21 -0.00 0.00 0.31 0.00 0.00 61.69 62.22 1xck s THR 329 Cb 0.02 -0.31 -0.00 0.00 0.01 0.00 0.00 72.50 72.22 1xck s THR 329 CO -0.01 0.08 -0.14 -0.89 -0.69 0.00 0.00 174.62 172.97 1xck s THR 330 N 1.47 2.78 -0.14 -0.82 2.01 -0.07 0.79 115.64 121.66 1xck s THR 330 Ca -0.07 -0.73 -0.00 0.00 0.31 0.00 0.00 61.69 61.20 1xck s THR 330 Cb -0.11 -2.18 0.03 0.00 0.01 0.00 0.00 72.50 70.25 1xck s THR 330 CO -0.07 0.51 -0.08 0.28 -0.69 0.00 0.00 174.62 174.57 1xck s THR 331 N 0.76 1.17 -0.25 -0.82 -1.32 0.11 -1.24 115.64 114.05 1xck s THR 331 Ca -0.06 -0.47 -0.18 0.00 -1.21 0.00 0.00 61.69 59.77 1xck s THR 331 Cb -0.15 -1.21 -0.03 0.00 -1.51 0.00 0.00 72.50 69.59 1xck s THR 331 CO 0.01 0.31 0.50 -0.63 -2.21 0.00 0.00 174.62 172.60 1xck s ILE 332 N 1.64 5.08 -0.24 5.08 1.01 0.94 -1.30 121.20 133.41 1xck s ILE 332 Ca 0.03 0.87 -0.05 0.00 0.00 0.00 0.00 60.65 61.50 1xck s ILE 332 Cb -0.14 -3.82 -0.01 0.00 0.01 0.00 0.00 42.46 38.50 1xck s ILE 332 CO -0.08 0.10 0.02 -0.63 0.00 0.00 0.00 174.94 174.35 1xck s ILE 333 N 2.20 3.79 -0.33 2.92 1.01 0.19 -1.58 121.20 129.41 1xck s ILE 333 Ca 0.21 -0.41 -0.11 0.00 0.00 0.00 0.00 60.65 60.34 1xck s ILE 333 Cb -0.16 -2.79 0.01 0.00 0.01 0.00 0.00 42.46 39.54 1xck s ILE 333 CO 0.09 0.34 0.41 -0.67 0.00 0.00 0.00 174.94 175.11 1xck n ASP 334 N 4.85 -6.71 -4.85 3.58 2.03 0.38 -1.91 116.55 113.92 1xck n ASP 334 Ca -0.17 0.52 -0.32 0.00 0.52 0.00 0.00 54.79 55.35 1xck n ASP 334 Cb 0.51 -4.47 -0.03 0.00 -0.72 0.00 0.00 41.12 36.41 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 -2.14 1.98 0.36 0.27 0.00 -0.07 -1.29 107.32 106.43 1xck s GLY 335 Ca 0.17 0.06 0.23 0.00 0.00 0.00 0.00 44.72 45.17 1xck s GLY 335 CO 0.61 0.31 1.43 -2.08 0.00 0.00 0.00 173.10 173.37 1xck h VAL 336 N 0.80 0.03 -1.23 1.40 2.07 -1.23 -3.45 116.25 114.63 1xck h VAL 336 Ca -0.47 -1.04 -0.71 0.00 0.82 0.00 0.00 66.70 65.31 1xck h VAL 336 Cb 1.19 1.87 0.08 0.00 -1.52 0.00 0.00 31.29 32.90 1xck h VAL 336 CO 0.62 0.02 -0.14 0.61 0.02 0.00 0.00 177.57 178.70 1xck n GLY 337 N 1.13 -0.82 3.77 2.17 0.00 -0.74 -4.75 105.19 105.94 1xck n GLY 337 Ca 0.03 0.53 -0.41 0.00 0.00 0.00 0.00 46.02 46.17 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 -0.54 4.32 0.37 1.61 0.41 -1.26 -4.82 118.70 118.80 1xck s GLU 338 Ca 0.75 2.26 0.12 0.00 -0.41 0.00 0.00 54.97 57.70 1xck s GLU 338 Cb -1.03 -3.06 0.93 0.00 -1.78 0.00 0.00 34.13 29.19 1xck s GLU 338 CO 0.56 -0.24 1.83 0.93 -0.49 0.00 0.00 175.26 177.85 1xck h GLU 339 N 3.48 0.56 -0.13 1.61 5.08 -1.97 0.79 114.58 124.00 1xck h GLU 339 Ca -0.49 -0.03 0.05 0.00 -1.00 0.00 0.00 59.36 57.88 1xck h GLU 339 Cb 1.23 -0.13 -0.06 0.00 0.50 0.00 0.00 28.75 30.29 1xck h GLU 339 CO 0.66 0.37 -0.26 0.00 -1.00 0.00 0.00 179.01 178.78 1xck h ALA 340 N 1.61 -0.26 0.77 3.43 0.00 -1.98 0.32 119.26 123.16 1xck h ALA 340 Ca 0.50 0.03 -0.04 0.00 0.00 0.00 0.00 54.91 55.41 1xck h ALA 340 Cb 1.01 0.50 0.01 0.00 0.00 0.00 0.00 17.79 19.30 1xck h ALA 340 CO -0.24 -0.72 -0.37 0.00 0.00 0.00 0.00 179.25 177.91 1xck h ALA 341 N 0.59 -1.05 -0.96 0.00 0.00 -1.27 -2.23 119.26 114.34 1xck h ALA 341 Ca 0.10 -0.23 0.20 0.00 0.00 0.00 0.00 54.91 54.99 1xck h ALA 341 Cb 0.48 0.40 -0.11 0.00 0.00 0.00 0.00 17.79 18.56 1xck h ALA 341 CO -0.31 -0.97 0.54 0.82 0.00 0.00 0.00 179.25 179.33 1xck h ILE 342 N -1.27 0.62 0.00 0.00 2.04 -1.14 -0.24 117.51 117.52 1xck h ILE 342 Ca -0.11 -0.22 -0.13 0.00 1.00 0.00 0.00 64.86 65.41 1xck h ILE 342 Cb 0.80 -0.06 -0.02 0.00 -0.74 0.00 0.00 36.82 36.79 1xck h ILE 342 CO 0.17 0.11 -0.61 -0.61 0.00 0.00 0.00 178.15 177.22 1xck h GLN 343 N 0.63 0.00 0.01 2.37 5.75 -0.36 -2.33 115.11 121.17 1xck h GLN 343 Ca 0.58 0.00 -0.19 0.00 -0.15 0.00 0.00 58.65 58.89 1xck h GLN 343 Cb 0.98 0.00 -0.02 0.00 1.07 0.00 0.00 27.48 29.51 1xck h GLN 343 CO -0.43 0.61 -0.89 0.78 -2.65 0.00 0.00 178.83 176.25 1xck h GLY 344 N 2.03 0.04 0.74 2.39 0.00 -0.47 -1.94 103.07 105.85 1xck h GLY 344 Ca -0.01 -0.08 -0.00 0.00 0.00 0.00 0.00 47.33 47.25 1xck h GLY 344 CO 0.08 0.07 -0.02 -0.09 0.00 0.00 0.00 176.54 176.58 1xck h ARG 345 N 0.02 -0.06 -0.98 4.80 9.65 -0.99 -0.17 114.38 126.66 1xck h ARG 345 Ca -0.02 0.00 0.09 0.00 -1.10 0.00 0.00 59.98 58.96 1xck h ARG 345 Cb 1.57 0.01 -0.07 0.00 -1.39 0.00 0.00 29.97 30.09 1xck h ARG 345 CO 0.12 0.21 0.62 0.28 2.80 0.00 0.00 179.97 184.00 1xck h VAL 346 N -0.32 1.00 -0.10 0.20 2.07 -1.41 -0.70 116.25 116.98 1xck h VAL 346 Ca -0.01 -0.36 0.02 0.00 0.82 0.00 0.00 66.70 67.18 1xck h VAL 346 Cb 0.29 -0.13 -0.02 0.00 -1.52 0.00 0.00 31.29 29.91 1xck h VAL 346 CO 0.01 0.19 -0.04 0.00 0.02 0.00 0.00 177.57 177.75 1xck h ALA 347 N 1.51 0.05 0.13 1.67 0.00 -0.75 0.14 119.26 122.01 1xck h ALA 347 Ca 0.45 0.04 -0.00 0.00 0.00 0.00 0.00 54.91 55.40 1xck h ALA 347 Cb 0.35 0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 1xck h ALA 347 CO -0.21 -0.50 -0.13 1.96 0.00 0.00 0.00 179.25 180.37 1xck h GLN 348 N -0.03 -0.25 -0.76 0.00 4.20 0.40 -1.58 115.11 117.08 1xck h GLN 348 Ca 0.06 0.02 0.17 0.00 0.06 0.00 0.00 58.65 58.96 1xck h GLN 348 Cb 0.11 0.06 -0.13 0.00 0.30 0.00 0.00 27.48 27.82 1xck h GLN 348 CO -0.12 -0.17 0.00 0.82 -0.67 0.00 0.00 178.83 178.69 1xck h ILE 349 N -0.26 0.33 -0.84 2.54 2.04 -1.27 0.30 117.51 120.34 1xck h ILE 349 Ca -0.02 -0.03 0.13 0.00 1.00 0.00 0.00 64.86 65.94 1xck h ILE 349 Cb 0.23 0.22 -0.06 0.00 -0.74 0.00 0.00 36.82 36.47 1xck h ILE 349 CO -0.01 0.02 0.55 -0.09 0.00 0.00 0.00 178.15 178.61 1xck h ARG 350 N 0.10 0.62 0.07 2.37 2.43 -0.49 -0.26 114.38 119.23 1xck h ARG 350 Ca 0.42 -0.04 -0.25 0.00 -0.81 0.00 0.00 59.98 59.30 1xck h ARG 350 Cb 0.74 -0.14 -0.01 0.00 -0.42 0.00 0.00 29.97 30.14 1xck h ARG 350 CO -0.67 0.41 -1.12 0.37 -1.51 0.00 0.00 179.97 177.45 1xck h GLN 351 N 0.64 0.19 0.00 0.20 4.15 0.54 -3.12 115.11 117.71 1xck h GLN 351 Ca 0.41 -0.31 -0.00 0.00 0.77 0.00 0.00 58.65 59.52 1xck h GLN 351 Cb 0.69 0.11 -0.00 0.00 0.21 0.00 0.00 27.48 28.49 1xck h GLN 351 CO -0.17 1.12 -0.01 1.96 -1.93 0.00 0.00 178.83 179.80 1xck h GLN 352 N 0.06 0.00 0.00 1.69 4.20 0.38 0.18 115.11 121.63 1xck h GLN 352 Ca -0.09 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.62 1xck h GLN 352 Cb 1.84 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 29.62 1xck h GLN 352 CO 0.17 0.01 -0.01 0.82 -0.67 0.00 0.00 178.83 179.15 1xck h ILE 353 N 0.00 0.09 0.08 2.54 2.04 -1.24 -0.15 117.51 120.86 1xck h ILE 353 Ca -0.00 -0.22 -0.00 0.00 1.00 0.00 0.00 64.86 65.64 1xck h ILE 353 Cb 0.02 1.19 0.00 0.00 -0.74 0.00 0.00 36.82 37.30 1xck h ILE 353 CO 0.00 0.01 -0.04 -0.33 0.00 0.00 0.00 178.15 177.80 1xck h GLU 354 N 0.00 -0.10 0.00 2.37 4.39 -0.76 -3.22 114.58 117.26 1xck h GLU 354 Ca -0.00 0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.71 1xck h GLU 354 Cb 0.19 0.02 0.00 0.00 -0.10 0.00 0.00 28.75 28.87 1xck h GLU 354 CO 0.00 -0.07 0.05 0.39 -1.16 0.00 0.00 179.01 178.22 1xck n GLU 355 N -3.95 0.00 -1.68 2.33 1.02 -1.05 -4.68 120.64 112.62 1xck n GLU 355 Ca -0.01 0.24 -0.48 0.00 -0.02 0.00 0.00 57.16 56.89 1xck n GLU 355 Cb 0.04 -1.55 -0.05 0.00 -0.02 0.00 0.00 31.44 29.87 1xck n GLU 355 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1xck n ALA 356 N -1.21 0.96 -1.13 0.62 0.00 -0.10 -4.85 120.51 114.81 1xck n ALA 356 Ca 0.00 0.32 0.00 0.00 0.00 0.00 0.00 53.44 53.76 1xck n ALA 356 Cb 0.05 -2.47 0.26 0.00 0.00 0.00 0.00 19.45 17.29 1xck n ALA 356 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1xck n THR 357 N 4.81 2.60 -3.64 0.00 -2.24 -1.26 -4.95 114.28 109.59 1xck n THR 357 Ca 0.22 -2.00 -0.15 0.00 -2.27 0.00 0.00 64.05 59.85 1xck n THR 357 Cb 0.29 -0.31 -0.08 0.00 -2.10 0.00 0.00 70.33 68.14 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 -1.75 -0.59 0.15 3.42 0.15 -1.26 -5.05 113.70 108.77 1xck s SER 358 Ca 0.48 0.98 -0.12 0.00 0.70 0.00 0.00 55.95 57.98 1xck s SER 358 Cb 0.39 0.97 0.03 0.00 -1.71 0.00 0.00 66.02 65.70 1xck s SER 358 CO 0.08 -0.33 1.62 0.44 1.20 0.00 0.00 173.24 176.25 1xck h ASP 359 N 4.51 0.84 0.34 5.45 3.32 -1.99 -1.60 116.42 127.29 1xck h ASP 359 Ca -0.28 -0.29 -0.01 0.00 0.02 0.00 0.00 57.03 56.47 1xck h ASP 359 Cb 1.16 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 40.48 1xck h ASP 359 CO 0.22 0.92 -0.22 0.22 -1.72 0.00 0.00 179.24 178.66 1xck h TYR 360 N 0.74 -0.57 -0.42 4.55 3.20 -1.99 -0.95 116.97 121.53 1xck h TYR 360 Ca 0.15 -0.01 0.03 0.00 3.14 0.00 0.00 58.73 62.04 1xck h TYR 360 Cb 0.46 0.20 -0.02 0.00 1.54 0.00 0.00 36.73 38.91 1xck h TYR 360 CO 0.03 -0.34 0.28 -0.44 -1.64 0.00 0.00 178.16 176.06 1xck h ASP 361 N -0.54 0.39 -0.22 -2.11 5.19 -1.96 -0.89 116.42 116.27 1xck h ASP 361 Ca -0.03 -0.00 -0.16 0.00 -0.62 0.00 0.00 57.03 56.21 1xck h ASP 361 Cb 0.45 -0.09 0.00 0.00 0.18 0.00 0.00 39.33 39.87 1xck h ASP 361 CO 0.03 0.27 -0.48 -0.09 -3.12 0.00 0.00 179.24 175.85 1xck h ARG 362 N 0.45 0.72 -0.46 3.56 2.43 -0.97 -2.45 114.38 117.65 1xck h ARG 362 Ca 0.17 -0.48 -0.07 0.00 -0.81 0.00 0.00 59.98 58.80 1xck h ARG 362 Cb 0.13 0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 29.72 1xck h ARG 362 CO -0.04 1.10 0.03 0.93 -1.51 0.00 0.00 179.97 180.48 1xck h GLU 363 N 0.43 0.80 -0.65 0.20 5.08 -0.48 -1.50 114.58 118.46 1xck h GLU 363 Ca 0.00 -0.24 0.01 0.00 -1.00 0.00 0.00 59.36 58.13 1xck h GLU 363 Cb 1.09 -0.08 -0.03 0.00 0.50 0.00 0.00 28.75 30.23 1xck h GLU 363 CO 0.11 0.84 0.43 0.87 -1.00 0.00 0.00 179.01 180.25 1xck h LYS 364 N 0.66 0.86 -0.39 2.33 1.79 -1.20 -0.73 116.57 119.88 1xck h LYS 364 Ca 0.14 -0.05 -0.02 0.00 -2.18 0.00 0.00 60.65 58.53 1xck h LYS 364 Cb 0.45 -0.19 -0.02 0.00 -1.58 0.00 0.00 32.23 30.89 1xck h LYS 364 CO 0.02 0.57 0.16 -0.07 -1.08 0.00 0.00 179.45 179.05 1xck h LEU 365 N 0.88 0.53 -1.72 2.94 3.38 -1.28 -2.28 115.31 117.76 1xck h LEU 365 Ca 0.24 -0.16 0.02 0.00 0.09 0.00 0.00 57.88 58.07 1xck h LEU 365 Cb -0.10 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.49 1xck h LEU 365 CO -0.05 0.54 0.22 1.56 0.09 0.00 0.00 178.44 180.80 1xck h GLN 366 N 0.48 0.37 0.09 1.13 4.20 -0.90 -1.65 115.11 118.82 1xck h GLN 366 Ca 0.13 -0.02 -0.00 0.00 0.06 0.00 0.00 58.65 58.81 1xck h GLN 366 Cb 0.18 -0.08 0.00 0.00 0.30 0.00 0.00 27.48 27.87 1xck h GLN 366 CO -0.01 0.24 -0.04 0.93 -0.67 0.00 0.00 178.83 179.28 1xck h GLU 367 N 0.38 -0.12 -0.02 1.46 5.08 -0.57 -1.99 114.58 118.80 1xck h GLU 367 Ca 0.13 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.50 1xck h GLU 367 Cb 0.05 0.03 -0.00 0.00 0.50 0.00 0.00 28.75 29.32 1xck h GLU 367 CO -0.03 -0.05 0.01 0.00 -1.00 0.00 0.00 179.01 177.94 1xck h ARG 368 N -0.15 0.03 -0.81 2.33 3.08 -1.02 -2.02 114.38 115.82 1xck h ARG 368 Ca -0.01 -0.00 0.03 0.00 0.07 0.00 0.00 59.98 60.07 1xck h ARG 368 Cb 0.12 -0.01 -0.05 0.00 0.08 0.00 0.00 29.97 30.11 1xck h ARG 368 CO 0.02 0.02 0.52 -0.39 -1.07 0.00 0.00 179.97 179.07 1xck h VAL 369 N 0.03 1.12 -0.59 2.04 -1.51 -1.35 -1.39 116.25 114.59 1xck h VAL 369 Ca 0.01 -0.34 0.10 0.00 -1.23 0.00 0.00 66.70 65.23 1xck h VAL 369 Cb 0.00 0.03 -0.07 0.00 -2.13 0.00 0.00 31.29 29.11 1xck h VAL 369 CO -0.00 0.18 0.18 0.00 -1.23 0.00 0.00 177.57 176.71 1xck h ALA 370 N 1.34 0.73 0.22 5.19 0.00 -0.99 0.79 119.26 126.54 1xck h ALA 370 Ca 0.33 0.10 -0.01 0.00 0.00 0.00 0.00 54.91 55.32 1xck h ALA 370 Cb 0.02 0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.91 1xck h ALA 370 CO -0.12 -0.24 -0.10 0.87 0.00 0.00 0.00 179.25 179.66 1xck h LYS 371 N 0.34 -0.28 0.35 0.00 1.57 -0.67 0.20 116.57 118.08 1xck h LYS 371 Ca 0.30 0.02 -0.02 0.00 -1.87 0.00 0.00 60.65 59.08 1xck h LYS 371 Cb 0.39 0.06 0.00 0.00 0.08 0.00 0.00 32.23 32.77 1xck h LYS 371 CO -0.33 -0.03 -0.17 1.25 -0.57 0.00 0.00 179.45 179.60 1xck h LEU 372 N -0.51 -0.40 -0.57 2.94 5.85 -0.84 -3.05 115.31 118.73 1xck h LEU 372 Ca -0.03 0.01 -0.15 0.00 0.84 0.00 0.00 57.88 58.55 1xck h LEU 372 Cb 0.38 0.10 -0.01 0.00 0.37 0.00 0.00 40.66 41.51 1xck h LEU 372 CO 0.05 -0.28 -0.56 0.00 -0.34 0.00 0.00 178.44 177.31 1xck h ALA 373 N 0.18 0.75 -0.62 1.25 0.00 0.51 -3.31 119.26 118.01 1xck h ALA 373 Ca -0.05 -0.51 -0.00 0.00 0.00 0.00 0.00 54.91 54.35 1xck h ALA 373 Cb 0.37 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.04 1xck h ALA 373 CO 0.08 0.69 0.39 0.78 0.00 0.00 0.00 179.25 181.19 1xck h GLY 374 N 1.17 0.89 0.00 0.00 0.00 -0.58 -3.49 103.07 101.06 1xck h GLY 374 Ca 0.00 -0.36 0.00 0.00 0.00 0.00 0.00 47.33 46.97 1xck h GLY 374 CO 0.10 0.35 0.00 0.61 0.00 0.00 0.00 176.54 177.60 1xck n GLY 375 N -1.18 -1.43 2.92 4.60 0.00 -1.15 -4.90 105.19 104.04 1xck n GLY 375 Ca 0.05 -1.31 -0.14 0.00 0.00 0.00 0.00 46.02 44.61 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 -0.10 0.34 1.61 1.01 -0.07 -4.50 120.40 118.69 1xck s VAL 376 Ca 0.00 0.21 -0.27 0.00 0.00 0.00 0.00 61.98 61.92 1xck s VAL 376 Cb 0.00 -0.27 -0.09 0.00 0.00 0.00 0.00 36.38 36.02 1xck s VAL 376 CO 0.00 0.09 1.09 0.00 0.00 0.00 0.00 175.10 176.27 1xck s ALA 377 N 1.42 3.26 -0.15 5.51 0.00 0.88 -1.33 121.76 131.36 1xck s ALA 377 Ca -0.07 0.83 -0.01 0.00 0.00 0.00 0.00 51.96 52.72 1xck s ALA 377 Cb -0.12 -3.31 0.04 0.00 0.00 0.00 0.00 23.12 19.73 1xck s ALA 377 CO -0.06 -0.21 -0.05 0.08 0.00 0.00 0.00 175.76 175.51 1xck s VAL 378 N -1.37 1.04 -0.27 0.00 1.01 0.10 -0.66 120.40 120.26 1xck s VAL 378 Ca 0.51 -0.50 -0.10 0.00 0.00 0.00 0.00 61.98 61.88 1xck s VAL 378 Cb -0.28 -1.18 -0.05 0.00 0.00 0.00 0.00 36.38 34.87 1xck s VAL 378 CO 0.36 0.19 0.17 -0.63 0.00 0.00 0.00 175.10 175.19 1xck s ILE 379 N 1.67 5.21 -0.29 2.22 1.01 0.40 -2.01 121.20 129.42 1xck s ILE 379 Ca 0.02 0.14 -0.07 0.00 0.00 0.00 0.00 60.65 60.74 1xck s ILE 379 Cb -0.14 -3.47 0.01 0.00 0.01 0.00 0.00 42.46 38.87 1xck s ILE 379 CO -0.08 0.28 0.08 -0.54 0.00 0.00 0.00 174.94 174.69 1xck s LYS 380 N 1.57 3.12 -0.40 2.79 1.02 -0.13 -0.83 119.74 126.88 1xck s LYS 380 Ca 0.07 -0.84 -0.26 0.00 0.02 0.00 0.00 55.97 54.96 1xck s LYS 380 Cb -0.15 -3.37 0.02 0.00 -0.52 0.00 0.00 37.83 33.80 1xck s LYS 380 CO 0.09 -0.43 0.95 0.08 -0.92 0.00 0.00 175.35 175.12 1xck s VAL 381 N 1.51 4.51 0.46 3.17 1.01 -0.85 -1.94 120.40 128.26 1xck s VAL 381 Ca 0.03 1.09 -0.02 0.00 0.00 0.00 0.00 61.98 63.08 1xck s VAL 381 Cb -0.17 -4.40 -0.02 0.00 0.00 0.00 0.00 36.38 31.80 1xck s VAL 381 CO 0.03 -0.67 0.71 -0.83 0.00 0.00 0.00 175.10 174.34 1xck s GLY 382 N 2.04 1.50 0.00 4.51 0.00 -1.23 -1.47 107.32 112.67 1xck s GLY 382 Ca 0.39 -0.81 0.00 0.00 0.00 0.00 0.00 44.72 44.30 1xck s GLY 382 CO 0.22 -0.65 0.00 0.00 0.00 0.00 0.00 173.10 172.67 1xck n ALA 383 N -2.14 0.00 -1.89 3.20 0.00 -1.26 -4.31 120.51 114.10 1xck n ALA 383 Ca 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 53.44 53.44 1xck n ALA 383 Cb 0.57 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 20.01 1xck n ALA 383 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1xck n ALA 384 N -0.23 -3.17 0.00 0.00 0.00 -1.26 -4.69 120.51 111.17 1xck n ALA 384 Ca 0.00 0.21 0.00 0.00 0.00 0.00 0.00 53.44 53.65 1xck n ALA 384 Cb 0.00 -0.42 0.00 0.00 0.00 0.00 0.00 19.45 19.03 1xck n ALA 384 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1xck n THR 385 N 0.25 0.00 -0.34 0.00 -2.24 -1.26 -4.75 114.28 105.94 1xck n THR 385 Ca -0.01 0.00 0.12 0.00 -2.27 0.00 0.00 64.05 61.89 1xck n THR 385 Cb 0.02 0.00 0.30 0.00 -2.10 0.00 0.00 70.33 68.55 1xck n THR 385 CO 0.00 0.00 0.00 -0.08 -0.57 0.00 0.00 175.07 174.42 1xck h GLU 386 N 0.00 0.72 0.71 -0.78 4.81 -1.99 -2.43 114.58 115.62 1xck h GLU 386 Ca 0.00 -0.04 -0.03 0.00 -0.13 0.00 0.00 59.36 59.16 1xck h GLU 386 Cb 0.00 -0.16 -0.00 0.00 0.63 0.00 0.00 28.75 29.22 1xck h GLU 386 CO 0.00 0.47 -0.42 0.28 -0.73 0.00 0.00 179.01 178.62 1xck h VAL 387 N 0.74 0.16 -0.91 0.32 2.07 -1.99 0.92 116.25 117.56 1xck h VAL 387 Ca 0.56 0.00 0.10 0.00 0.82 0.00 0.00 66.70 68.18 1xck h VAL 387 Cb 0.85 0.16 -0.07 0.00 -1.52 0.00 0.00 31.29 30.72 1xck h VAL 387 CO -0.38 0.00 0.58 -0.33 0.02 0.00 0.00 177.57 177.46 1xck h GLU 388 N -1.05 0.87 0.03 1.57 5.08 -1.81 -0.27 114.58 119.00 1xck h GLU 388 Ca -0.09 -0.05 -0.00 0.00 -1.00 0.00 0.00 59.36 58.21 1xck h GLU 388 Cb 0.84 -0.20 0.00 0.00 0.50 0.00 0.00 28.75 29.90 1xck h GLU 388 CO 0.11 0.57 -0.01 1.98 -1.00 0.00 0.00 179.01 180.66 1xck h MET 389 N 0.89 -0.04 -0.64 2.33 4.05 -1.08 0.04 114.93 120.48 1xck h MET 389 Ca 0.43 0.00 -0.03 0.00 -0.28 0.00 0.00 59.70 59.81 1xck h MET 389 Cb 0.43 0.01 -0.03 0.00 -0.80 0.00 0.00 31.60 31.21 1xck h MET 389 CO -0.19 0.09 0.26 0.87 0.23 0.00 0.00 176.91 178.17 1xck h LYS 390 N -0.16 0.93 0.29 0.39 1.79 -0.25 -0.19 116.57 119.36 1xck h LYS 390 Ca -0.00 -0.15 -0.01 0.00 -2.18 0.00 0.00 60.65 58.31 1xck h LYS 390 Cb 0.15 -0.16 0.00 0.00 -1.58 0.00 0.00 32.23 30.64 1xck h LYS 390 CO 0.01 0.75 -0.14 1.49 -1.08 0.00 0.00 179.45 180.48 1xck h GLU 391 N 0.91 -0.38 -0.76 3.15 4.22 -0.85 -2.64 114.58 118.24 1xck h GLU 391 Ca 0.22 0.03 -0.01 0.00 0.08 0.00 0.00 59.36 59.67 1xck h GLU 391 Cb 0.17 0.09 -0.04 0.00 0.50 0.00 0.00 28.75 29.47 1xck h GLU 391 CO -0.02 -0.09 0.42 -0.22 -2.18 0.00 0.00 179.01 176.92 1xck h LYS 392 N -0.67 1.04 -0.88 1.92 3.64 -0.89 -1.87 116.57 118.87 1xck h LYS 392 Ca -0.04 -0.11 0.08 0.00 -1.27 0.00 0.00 60.65 59.31 1xck h LYS 392 Cb 0.47 -0.21 -0.07 0.00 -0.41 0.00 0.00 32.23 32.01 1xck h LYS 392 CO 0.07 0.76 0.53 -0.22 -2.27 0.00 0.00 179.45 178.32 1xck h LYS 393 N 1.05 0.91 -0.05 1.90 3.64 -0.97 0.91 116.57 123.97 1xck h LYS 393 Ca 0.27 -0.05 -0.00 0.00 -1.27 0.00 0.00 60.65 59.59 1xck h LYS 393 Cb 0.02 -0.21 -0.00 0.00 -0.41 0.00 0.00 32.23 31.63 1xck h LYS 393 CO -0.04 0.60 0.01 0.00 -2.27 0.00 0.00 179.45 177.75 1xck h ALA 394 N 1.44 0.07 -0.70 5.00 0.00 -0.98 -1.46 119.26 122.62 1xck h ALA 394 Ca 0.40 -0.12 0.07 0.00 0.00 0.00 0.00 54.91 55.26 1xck h ALA 394 Cb 0.26 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 17.99 1xck h ALA 394 CO -0.20 -0.32 0.46 0.00 0.00 0.00 0.00 179.25 179.19 1xck h ARG 395 N -0.12 0.68 -0.20 0.00 3.08 -0.77 -1.26 114.38 115.79 1xck h ARG 395 Ca 0.02 -0.04 -0.04 0.00 0.07 0.00 0.00 59.98 59.99 1xck h ARG 395 Cb 0.22 -0.15 -0.01 0.00 0.08 0.00 0.00 29.97 30.11 1xck h ARG 395 CO -0.00 0.45 -0.02 0.28 -1.07 0.00 0.00 179.97 179.61 1xck h VAL 396 N 0.70 1.27 -0.81 2.04 2.07 -0.54 -0.62 116.25 120.35 1xck h VAL 396 Ca 0.31 -0.93 0.06 0.00 0.82 0.00 0.00 66.70 66.96 1xck h VAL 396 Cb 0.30 1.48 -0.06 0.00 -1.52 0.00 0.00 31.29 31.50 1xck h VAL 396 CO -0.10 0.28 0.49 -0.33 0.02 0.00 0.00 177.57 177.93 1xck h GLU 397 N 0.11 0.87 0.47 1.57 5.08 -0.42 0.11 114.58 122.37 1xck h GLU 397 Ca 0.05 -0.05 -0.02 0.00 -1.00 0.00 0.00 59.36 58.34 1xck h GLU 397 Cb 0.43 -0.20 0.00 0.00 0.50 0.00 0.00 28.75 29.49 1xck h GLU 397 CO 0.01 0.58 -0.23 -0.44 -1.00 0.00 0.00 179.01 177.93 1xck h ASP 398 N 0.90 -0.54 -0.89 1.42 3.32 -1.15 -2.53 116.42 116.95 1xck h ASP 398 Ca 0.35 -0.08 0.16 0.00 0.02 0.00 0.00 57.03 57.48 1xck h ASP 398 Cb 0.17 0.14 -0.07 0.00 0.22 0.00 0.00 39.33 39.79 1xck h ASP 398 CO -0.17 -0.17 0.58 0.00 -1.72 0.00 0.00 179.24 177.75 1xck h ALA 399 N -0.65 1.95 0.05 3.45 0.00 -0.90 -0.65 119.26 122.51 1xck h ALA 399 Ca -0.07 0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.86 1xck h ALA 399 Cb 0.59 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.29 1xck h ALA 399 CO 0.11 -0.21 -0.02 1.25 0.00 0.00 0.00 179.25 180.38 1xck h LEU 400 N 0.60 -0.06 -1.02 0.00 5.85 -0.71 0.10 115.31 120.07 1xck h LEU 400 Ca 0.46 -0.10 -0.01 0.00 0.84 0.00 0.00 57.88 59.07 1xck h LEU 400 Cb 0.87 0.02 -0.04 0.00 0.37 0.00 0.00 40.66 41.87 1xck h LEU 400 CO -0.20 0.06 0.46 -0.74 -0.34 0.00 0.00 178.44 177.67 1xck h HIS 401 N -0.17 1.12 -0.02 1.25 2.76 -0.83 0.82 115.15 120.07 1xck h HIS 401 Ca -0.01 -0.02 -0.00 0.00 -2.20 0.00 0.00 60.37 58.14 1xck h HIS 401 Cb 0.15 -0.36 -0.00 0.00 1.55 0.00 0.00 27.41 28.75 1xck h HIS 401 CO -0.04 0.77 -0.00 0.00 -1.30 0.00 0.00 177.93 177.36 1xck h ALA 402 N 1.35 0.03 -0.80 5.26 0.00 -0.96 -2.67 119.26 121.47 1xck h ALA 402 Ca 0.29 -0.17 -0.02 0.00 0.00 0.00 0.00 54.91 55.01 1xck h ALA 402 Cb 0.02 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 17.76 1xck h ALA 402 CO -0.05 -0.30 0.41 1.15 0.00 0.00 0.00 179.25 180.46 1xck h THR 403 N -0.29 1.24 -0.34 0.00 2.02 -0.55 -0.32 112.91 114.67 1xck h THR 403 Ca 0.01 -0.64 0.07 0.00 0.77 0.00 0.00 66.41 66.61 1xck h THR 403 Cb 0.34 0.19 -0.06 0.00 -1.74 0.00 0.00 68.15 66.88 1xck h THR 403 CO 0.00 0.28 -0.07 -0.09 0.37 0.00 0.00 175.52 176.02 1xck h ARG 404 N 1.12 0.02 -0.54 6.66 1.12 -0.76 0.59 114.38 122.59 1xck h ARG 404 Ca 0.28 -0.00 -0.06 0.00 -1.11 0.00 0.00 59.98 59.09 1xck h ARG 404 Cb 0.07 -0.00 -0.02 0.00 -0.01 0.00 0.00 29.97 30.01 1xck h ARG 404 CO -0.04 0.01 0.11 0.00 -3.11 0.00 0.00 179.97 176.94 1xck h ALA 405 N 1.33 0.72 -0.59 2.80 0.00 -1.07 -2.68 119.26 119.77 1xck h ALA 405 Ca 0.16 -0.23 0.01 0.00 0.00 0.00 0.00 54.91 54.85 1xck h ALA 405 Cb 0.24 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.80 1xck h ALA 405 CO -0.33 0.44 0.39 0.00 0.00 0.00 0.00 179.25 179.75 1xck h ALA 406 N 1.00 0.76 -0.05 0.00 0.00 -0.33 -1.58 119.26 119.06 1xck h ALA 406 Ca 0.17 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 55.02 1xck h ALA 406 Cb 0.38 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 1xck h ALA 406 CO 0.01 0.17 -0.07 0.28 0.00 0.00 0.00 179.25 179.65 1xck h VAL 407 N 0.79 1.08 0.13 0.00 2.07 -0.73 0.28 116.25 119.88 1xck h VAL 407 Ca 0.22 -0.35 -0.01 0.00 0.82 0.00 0.00 66.70 67.38 1xck h VAL 407 Cb -0.08 1.12 0.00 0.00 -1.52 0.00 0.00 31.29 30.81 1xck h VAL 407 CO -0.06 0.11 -0.06 -0.33 0.02 0.00 0.00 177.57 177.25 1xck h GLU 408 N 0.07 -0.17 0.00 1.57 5.08 -0.97 -3.41 114.58 116.74 1xck h GLU 408 Ca 0.02 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.39 1xck h GLU 408 Cb 0.17 0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.46 1xck h GLU 408 CO 0.01 0.19 -0.03 0.39 -1.00 0.00 0.00 179.01 178.58 1xck n GLU 409 N -4.87 1.82 -0.00 2.33 1.02 -0.85 -5.09 120.64 115.00 1xck n GLU 409 Ca -0.06 -2.00 0.00 0.00 -0.02 0.00 0.00 57.16 55.09 1xck n GLU 409 Cb 0.22 -1.21 -0.00 0.00 -0.02 0.00 0.00 31.44 30.43 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 -0.94 -1.99 3.27 0.62 0.00 1.00 -4.43 105.19 102.72 1xck n GLY 410 Ca 0.08 -1.39 -0.20 0.00 0.00 0.00 0.00 46.02 44.52 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 -0.03 1.52 0.18 1.61 -7.23 0.11 -0.52 120.40 116.04 1xck s VAL 411 Ca 0.00 -1.77 0.00 0.00 -1.81 0.00 0.00 61.98 58.41 1xck s VAL 411 Cb 0.00 -1.63 -0.04 0.00 0.56 0.00 0.00 36.38 35.27 1xck s VAL 411 CO 0.00 -0.35 0.06 0.68 -0.31 0.00 0.00 175.10 175.18 1xck s VAL 412 N -2.02 0.34 0.29 1.32 -7.23 -0.60 -0.46 120.40 112.03 1xck s VAL 412 Ca 0.11 -1.96 -0.30 0.00 -1.81 0.00 0.00 61.98 58.02 1xck s VAL 412 Cb -0.06 -2.25 -0.13 0.00 0.56 0.00 0.00 36.38 34.50 1xck s VAL 412 CO 0.04 -0.30 1.31 0.00 -0.31 0.00 0.00 175.10 175.84 1xck n ALA 413 N -0.24 1.01 -1.75 1.32 0.00 -1.26 -1.16 120.51 118.43 1xck n ALA 413 Ca -0.03 0.39 0.00 0.00 0.00 0.00 0.00 53.44 53.79 1xck n ALA 413 Cb 0.64 -2.23 0.00 0.00 0.00 0.00 0.00 19.45 17.86 1xck n ALA 413 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1xck n GLY 414 N 1.47 1.43 2.39 0.00 0.00 0.22 -3.13 105.19 107.56 1xck n GLY 414 Ca 0.08 -1.88 -0.15 0.00 0.00 0.00 0.00 46.02 44.08 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 -0.21 3.00 -0.02 0.00 -1.26 -1.47 105.19 110.23 1xck n GLY 415 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 -0.78 0.56 0.09 -0.02 0.00 -1.26 -4.45 105.19 99.32 1xck n GLY 416 Ca -0.17 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.77 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 1.60 -0.49 1.61 -1.51 -1.47 -3.02 116.25 112.97 1xck h VAL 417 Ca 0.00 -2.98 0.04 0.00 -1.23 0.00 0.00 66.70 62.53 1xck h VAL 417 Cb 0.11 2.65 -0.04 0.00 -2.13 0.00 0.00 31.29 31.88 1xck h VAL 417 CO 0.00 0.86 0.24 0.00 -1.23 0.00 0.00 177.57 177.44 1xck h ALA 418 N 1.00 0.62 -0.72 5.19 0.00 -1.72 0.33 119.26 123.95 1xck h ALA 418 Ca -0.03 0.02 -0.05 0.00 0.00 0.00 0.00 54.91 54.85 1xck h ALA 418 Cb 1.62 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 19.32 1xck h ALA 418 CO 0.13 -0.11 0.27 -0.07 0.00 0.00 0.00 179.25 179.47 1xck h LEU 419 N 0.47 1.00 -0.38 0.00 3.38 -1.84 0.06 115.31 118.00 1xck h LEU 419 Ca 0.21 -0.16 -0.19 0.00 0.09 0.00 0.00 57.88 57.84 1xck h LEU 419 Cb 0.13 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 40.62 1xck h LEU 419 CO -0.15 0.90 -0.73 -0.29 0.09 0.00 0.00 178.44 178.26 1xck h ILE 420 N 1.05 1.36 0.40 1.22 2.10 -1.29 -1.83 117.51 120.52 1xck h ILE 420 Ca 0.24 -2.10 -0.02 0.00 1.08 0.00 0.00 64.86 64.06 1xck h ILE 420 Cb 0.23 2.08 0.00 0.00 -1.09 0.00 0.00 36.82 38.04 1xck h ILE 420 CO -0.02 0.64 -0.19 -0.09 -1.08 0.00 0.00 178.15 177.41 1xck h ARG 421 N 0.32 -0.52 -0.81 2.19 9.65 0.11 -1.23 114.38 124.09 1xck h ARG 421 Ca -0.03 0.04 0.06 0.00 -1.10 0.00 0.00 59.98 58.94 1xck h ARG 421 Cb 1.31 0.12 -0.05 0.00 -1.39 0.00 0.00 29.97 29.96 1xck h ARG 421 CO 0.13 -0.31 0.53 0.28 2.80 0.00 0.00 179.97 183.40 1xck h VAL 422 N -0.61 1.07 -0.49 0.20 2.07 -1.03 -2.06 116.25 115.41 1xck h VAL 422 Ca -0.06 -0.32 -0.11 0.00 0.82 0.00 0.00 66.70 67.04 1xck h VAL 422 Cb 0.46 0.06 -0.02 0.00 -1.52 0.00 0.00 31.29 30.28 1xck h VAL 422 CO 0.09 0.17 -0.12 0.00 0.02 0.00 0.00 177.57 177.73 1xck h ALA 423 N 1.55 0.67 0.00 1.67 0.00 -1.02 -2.58 119.26 119.55 1xck h ALA 423 Ca 0.34 -0.35 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 1xck h ALA 423 Cb 0.17 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 17.79 1xck h ALA 423 CO -0.12 0.58 -0.03 0.66 0.00 0.00 0.00 179.25 180.35 1xck h SER 424 N 0.80 0.00 0.95 0.00 4.64 -0.51 -1.68 113.55 117.74 1xck h SER 424 Ca 0.12 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.44 1xck h SER 424 Cb 0.68 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.77 1xck h SER 424 CO 0.05 0.03 -0.16 0.29 -0.87 0.00 0.00 176.83 176.17 1xck n LYS 425 N -3.50 0.06 -0.81 4.77 5.02 -0.98 -3.89 118.16 118.84 1xck n LYS 425 Ca -0.02 0.04 -0.02 0.00 -2.02 0.00 0.00 58.31 56.28 1xck n LYS 425 Cb 0.13 -1.56 0.26 0.00 -0.02 0.00 0.00 35.03 33.84 1xck n LYS 425 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1xck n LEU 426 N -1.66 5.00 -0.29 -0.35 4.77 -0.63 -4.73 117.00 119.11 1xck n LEU 426 Ca 0.06 -3.32 0.08 0.00 -0.03 0.00 0.00 56.01 52.80 1xck n LEU 426 Cb 0.36 -0.66 0.30 0.00 -2.33 0.00 0.00 43.42 41.09 1xck n LEU 426 CO 0.30 0.89 1.23 0.00 -1.33 0.00 0.00 177.39 178.49 1xck h ALA 427 N 1.91 1.65 -0.00 -1.18 0.00 -1.69 -2.14 119.26 117.81 1xck h ALA 427 Ca 0.20 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.11 1xck h ALA 427 Cb 1.94 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 19.53 1xck h ALA 427 CO 0.52 0.15 -0.18 -0.25 0.00 0.00 0.00 179.25 179.49 1xck n ASP 428 N -4.54 0.65 -4.69 0.00 8.00 -1.26 -4.91 116.55 109.81 1xck n ASP 428 Ca 0.16 -0.63 -0.44 0.00 0.71 0.00 0.00 54.79 54.59 1xck n ASP 428 Cb 0.33 0.00 -0.04 0.00 -0.02 0.00 0.00 41.12 41.40 1xck n ASP 428 CO 0.00 0.00 0.00 -0.11 -0.39 0.00 0.00 177.20 176.70 1xck n LEU 429 N -0.90 3.51 -4.30 0.64 7.94 -0.81 -4.98 117.00 118.10 1xck n LEU 429 Ca 0.13 1.06 -0.16 0.00 -1.11 0.00 0.00 56.01 55.93 1xck n LEU 429 Cb 0.31 -1.49 -0.10 0.00 0.53 0.00 0.00 43.42 42.67 1xck n LEU 429 CO 0.25 -0.07 -0.33 -0.13 -1.11 0.00 0.00 177.39 176.00 1xck s ARG 430 N 1.34 1.26 0.00 1.96 1.81 -1.26 -4.97 118.95 119.09 1xck s ARG 430 Ca 0.79 -1.63 0.00 0.00 -1.72 0.00 0.00 55.73 53.17 1xck s ARG 430 Cb -0.60 -0.49 0.00 0.00 -0.45 0.00 0.00 34.95 33.41 1xck s ARG 430 CO 0.37 -0.11 0.00 0.41 -0.68 0.00 0.00 175.30 175.29 1xck n GLY 431 N -0.36 5.62 0.11 -3.53 0.00 -1.26 -5.01 105.19 100.75 1xck n GLY 431 Ca -0.05 -1.95 0.13 0.00 0.00 0.00 0.00 46.02 44.14 1xck n GLY 431 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1xck n GLN 432 N 0.00 0.40 -3.80 1.61 6.02 -1.26 -4.90 117.38 115.45 1xck n GLN 432 Ca 0.00 -0.22 -0.06 0.00 -0.01 0.00 0.00 57.00 56.71 1xck n GLN 432 Cb 0.00 -1.50 -0.02 0.00 1.02 0.00 0.00 30.24 29.75 1xck n GLN 432 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 1xck s ASN 433 N -2.75 -0.25 0.45 1.08 2.20 -1.26 -5.02 114.94 109.39 1xck s ASN 433 Ca 0.18 -0.50 0.13 0.00 -0.94 0.00 0.00 52.86 51.73 1xck s ASN 433 Cb 0.18 0.63 1.05 0.00 -2.00 0.00 0.00 41.25 41.12 1xck s ASN 433 CO 0.60 -1.16 2.04 -0.08 -2.94 0.00 0.00 177.10 175.56 1xck h GLU 434 N 2.00 0.34 -0.55 3.55 4.57 -1.99 -0.67 114.58 121.83 1xck h GLU 434 Ca -0.21 -0.02 -0.04 0.00 -1.18 0.00 0.00 59.36 57.90 1xck h GLU 434 Cb 1.25 -0.08 -0.02 0.00 -0.16 0.00 0.00 28.75 29.74 1xck h GLU 434 CO 0.25 0.22 0.18 -0.44 -1.18 0.00 0.00 179.01 178.04 1xck h ASP 435 N 0.35 0.80 0.31 1.04 3.32 -1.96 -1.30 116.42 118.99 1xck h ASP 435 Ca 0.18 -0.20 -0.11 0.00 0.02 0.00 0.00 57.03 56.92 1xck h ASP 435 Cb 0.27 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 39.60 1xck h ASP 435 CO -0.04 0.79 -0.45 1.56 -1.72 0.00 0.00 179.24 179.38 1xck h GLN 436 N 0.77 0.17 -0.34 3.56 4.20 -1.41 -1.61 115.11 120.44 1xck h GLN 436 Ca 0.18 -0.09 -0.08 0.00 0.06 0.00 0.00 58.65 58.72 1xck h GLN 436 Cb 0.27 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.04 1xck h GLN 436 CO -0.01 0.59 -0.11 -0.91 -0.67 0.00 0.00 178.83 177.73 1xck h ASN 437 N 0.14 0.57 -0.25 1.46 2.35 -0.71 -0.60 115.58 118.55 1xck h ASN 437 Ca 0.01 -0.15 -0.11 0.00 -0.55 0.00 0.00 56.30 55.50 1xck h ASN 437 Cb 0.85 -0.15 -0.00 0.00 0.05 0.00 0.00 38.32 39.07 1xck h ASN 437 CO 0.07 0.72 -0.26 0.58 -1.65 0.00 0.00 177.43 176.88 1xck h VAL 438 N 0.54 1.31 -0.65 2.81 2.07 -0.90 -2.04 116.25 119.39 1xck h VAL 438 Ca 0.10 -1.43 0.07 0.00 0.82 0.00 0.00 66.70 66.26 1xck h VAL 438 Cb 0.52 1.67 -0.06 0.00 -1.52 0.00 0.00 31.29 31.89 1xck h VAL 438 CO 0.03 0.45 0.33 1.23 0.02 0.00 0.00 177.57 179.63 1xck h GLY 439 N 0.33 0.95 0.94 2.17 0.00 -0.95 0.27 103.07 106.78 1xck h GLY 439 Ca 0.04 -0.21 0.01 0.00 0.00 0.00 0.00 47.33 47.17 1xck h GLY 439 CO 0.06 0.09 0.27 -2.22 0.00 0.00 0.00 176.54 174.75 1xck h ILE 440 N 0.59 1.08 -0.38 2.60 2.04 -0.91 -1.69 117.51 120.83 1xck h ILE 440 Ca 0.31 -0.19 -0.08 0.00 1.00 0.00 0.00 64.86 65.90 1xck h ILE 440 Cb 0.27 0.47 -0.02 0.00 -0.74 0.00 0.00 36.82 36.81 1xck h ILE 440 CO -0.23 0.10 -0.09 0.11 0.00 0.00 0.00 178.15 178.05 1xck h LYS 441 N 0.55 0.65 -0.47 2.37 1.79 -0.55 -0.76 116.57 120.14 1xck h LYS 441 Ca 0.17 -0.19 0.03 0.00 -2.18 0.00 0.00 60.65 58.48 1xck h LYS 441 Cb -0.02 -0.07 -0.04 0.00 -1.58 0.00 0.00 32.23 30.52 1xck h LYS 441 CO -0.06 0.73 0.26 0.28 -1.08 0.00 0.00 179.45 179.58 1xck h VAL 442 N 0.60 1.01 -0.23 0.50 2.07 0.10 0.16 116.25 120.46 1xck h VAL 442 Ca 0.11 -0.18 -0.04 0.00 0.82 0.00 0.00 66.70 67.41 1xck h VAL 442 Cb 0.50 0.44 -0.01 0.00 -1.52 0.00 0.00 31.29 30.71 1xck h VAL 442 CO 0.03 0.10 0.00 0.00 0.02 0.00 0.00 177.57 177.72 1xck h ALA 443 N 1.23 0.31 -1.00 1.67 0.00 -0.86 -1.34 119.26 119.26 1xck h ALA 443 Ca 0.20 -0.21 0.01 0.00 0.00 0.00 0.00 54.91 54.90 1xck h ALA 443 Cb 0.06 -0.08 -0.05 0.00 0.00 0.00 0.00 17.79 17.71 1xck h ALA 443 CO -0.11 0.03 0.66 -0.07 0.00 0.00 0.00 179.25 179.76 1xck h LEU 444 N 0.17 1.16 -0.29 0.00 3.38 -0.84 -1.62 115.31 117.27 1xck h LEU 444 Ca 0.06 -0.03 -0.04 0.00 0.09 0.00 0.00 57.88 57.96 1xck h LEU 444 Cb 0.40 -0.29 -0.01 0.00 0.09 0.00 0.00 40.66 40.85 1xck h LEU 444 CO 0.01 0.84 0.00 0.03 0.09 0.00 0.00 178.44 179.42 1xck h ARG 445 N 1.36 0.50 -0.49 1.13 3.08 -0.88 -2.80 114.38 116.28 1xck h ARG 445 Ca 0.37 -0.16 0.09 0.00 0.07 0.00 0.00 59.98 60.35 1xck h ARG 445 Cb -0.15 -0.05 -0.03 0.00 0.08 0.00 0.00 29.97 29.83 1xck h ARG 445 CO -0.08 0.65 0.34 0.00 -1.07 0.00 0.00 179.97 179.81 1xck h ALA 446 N 0.83 2.08 0.00 0.04 0.00 -0.72 -1.09 119.26 120.40 1xck h ALA 446 Ca 0.08 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1xck h ALA 446 Cb 0.42 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.15 1xck h ALA 446 CO 0.01 -0.19 0.00 -1.33 0.00 0.00 0.00 179.25 177.75 1xck n MET 447 N -4.46 0.01 0.01 0.00 2.81 -0.66 -0.91 117.12 113.92 1xck n MET 447 Ca 0.08 0.40 0.11 0.00 -1.81 0.00 0.00 57.70 56.47 1xck n MET 447 Cb 0.35 -1.50 0.07 0.00 -0.71 0.00 0.00 33.22 31.43 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 -1.48 0.11 0.03 0.03 1.02 -0.41 -3.80 120.64 116.14 1xck n GLU 448 Ca 0.01 -0.00 -0.13 0.00 -0.02 0.00 0.00 57.16 57.02 1xck n GLU 448 Cb 0.06 -1.54 -0.06 0.00 -0.02 0.00 0.00 31.44 29.88 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 2.83 -0.62 -0.07 0.62 0.00 -1.14 -1.75 119.26 119.12 1xck h ALA 449 Ca 0.00 -0.03 0.02 0.00 0.00 0.00 0.00 54.91 54.91 1xck h ALA 449 Cb 0.59 0.75 -0.06 0.00 0.00 0.00 0.00 17.79 19.07 1xck h ALA 449 CO 0.00 -0.94 -0.51 -1.35 0.00 0.00 0.00 179.25 176.45 1xck h PRO 450 N -0.53 -0.57 0.01 0.00 0.11 -1.78 0.71 132.00 129.95 1xck h PRO 450 Ca 0.06 0.04 0.03 0.00 0.11 0.00 0.00 66.00 66.24 1xck h PRO 450 Cb 0.64 0.13 -0.04 0.00 0.11 0.00 0.00 31.00 31.83 1xck h PRO 450 CO -0.35 -0.38 -0.24 1.25 -0.21 0.00 0.00 178.00 178.07 1xck h LEU 451 N -0.59 -0.72 -0.89 2.35 6.46 -1.73 -0.76 115.31 119.43 1xck h LEU 451 Ca 0.02 0.10 0.17 0.00 -0.12 0.00 0.00 57.88 58.05 1xck h LEU 451 Cb 0.66 0.29 -0.10 0.00 -0.73 0.00 0.00 40.66 40.78 1xck h LEU 451 CO -0.38 -0.31 0.47 0.03 -0.62 0.00 0.00 178.44 177.62 1xck h ARG 452 N -0.39 0.59 -0.18 1.25 3.08 -1.03 0.10 114.38 117.80 1xck h ARG 452 Ca 0.06 -0.04 -0.02 0.00 0.07 0.00 0.00 59.98 60.05 1xck h ARG 452 Cb 0.46 -0.13 -0.01 0.00 0.08 0.00 0.00 29.97 30.37 1xck h ARG 452 CO -0.21 0.39 0.04 0.37 -1.07 0.00 0.00 179.97 179.49 1xck h GLN 453 N 0.61 0.29 -0.02 0.04 5.75 0.00 0.11 115.11 121.88 1xck h GLN 453 Ca 0.51 -0.07 0.03 0.00 -0.15 0.00 0.00 58.65 58.97 1xck h GLN 453 Cb 0.80 -0.04 -0.04 0.00 1.07 0.00 0.00 27.48 29.27 1xck h GLN 453 CO -0.40 0.43 -0.20 0.82 -2.65 0.00 0.00 178.83 176.84 1xck h ILE 454 N 0.09 0.53 -0.94 2.39 2.04 0.04 0.21 117.51 121.88 1xck h ILE 454 Ca 0.06 0.00 0.06 0.00 1.00 0.00 0.00 64.86 65.97 1xck h ILE 454 Cb 0.28 0.53 -0.06 0.00 -0.74 0.00 0.00 36.82 36.83 1xck h ILE 454 CO 0.00 0.00 0.61 0.58 0.00 0.00 0.00 178.15 179.34 1xck h VAL 455 N -0.30 1.09 -0.09 1.67 2.07 -0.70 -1.95 116.25 118.03 1xck h VAL 455 Ca 0.06 -0.38 -0.00 0.00 0.82 0.00 0.00 66.70 67.20 1xck h VAL 455 Cb 0.39 -0.10 -0.00 0.00 -1.52 0.00 0.00 31.29 30.05 1xck h VAL 455 CO -0.20 0.20 0.05 0.25 0.02 0.00 0.00 177.57 177.89 1xck h LEU 456 N 1.10 0.11 -2.42 2.57 5.85 0.48 -1.62 115.31 121.38 1xck h LEU 456 Ca 0.40 -0.10 0.02 0.00 0.84 0.00 0.00 57.88 59.04 1xck h LEU 456 Cb 0.15 -0.03 -0.00 0.00 0.37 0.00 0.00 40.66 41.15 1xck h LEU 456 CO -0.14 0.18 0.09 0.78 -0.34 0.00 0.00 178.44 179.00 1xck h ASN 457 N 0.04 0.00 0.80 1.25 2.35 0.07 0.12 115.58 120.21 1xck h ASN 457 Ca 0.03 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.78 1xck h ASN 457 Cb 0.09 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.46 1xck h ASN 457 CO -0.00 0.00 -0.14 0.00 -1.65 0.00 0.00 177.43 175.63 1xck n GLY 459 N 1.47 0.44 3.78 0.00 0.00 0.43 -5.06 105.19 106.26 1xck n GLY 459 Ca 0.07 -0.92 -0.23 0.00 0.00 0.00 0.00 46.02 44.94 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 -2.99 2.40 -0.56 1.61 0.41 -0.82 -5.04 118.70 113.71 1xck s GLU 460 Ca 0.00 -1.61 -0.27 0.00 -0.41 0.00 0.00 54.97 52.68 1xck s GLU 460 Cb 0.00 -2.20 0.03 0.00 -1.78 0.00 0.00 34.13 30.18 1xck s GLU 460 CO 0.00 -0.04 1.11 -1.21 -0.49 0.00 0.00 175.26 174.63 1xck s GLU 461 N -3.96 3.49 0.18 1.61 2.02 -1.26 -4.29 118.70 116.49 1xck s GLU 461 Ca 0.42 0.14 -0.18 0.00 0.02 0.00 0.00 54.97 55.37 1xck s GLU 461 Cb -0.01 -4.01 0.13 0.00 0.10 0.00 0.00 34.13 30.34 1xck s GLU 461 CO 0.24 -1.59 1.62 -1.35 0.02 0.00 0.00 175.26 174.21 1xck h PRO 462 N 9.44 -0.11 -0.51 0.39 0.11 -1.86 -1.57 132.00 137.89 1xck h PRO 462 Ca -0.25 0.01 0.06 0.00 0.11 0.00 0.00 66.00 65.93 1xck h PRO 462 Cb 1.06 0.03 -0.03 0.00 0.11 0.00 0.00 31.00 32.17 1xck h PRO 462 CO 1.15 -0.08 0.34 0.66 -0.21 0.00 0.00 178.00 179.86 1xck h SER 463 N -0.12 0.40 0.02 -2.05 4.64 -1.94 0.43 113.55 114.93 1xck h SER 463 Ca 0.22 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.54 1xck h SER 463 Cb 0.47 -0.09 0.00 0.00 -0.31 0.00 0.00 62.40 62.47 1xck h SER 463 CO -0.56 0.26 -0.01 0.58 -0.87 0.00 0.00 176.83 176.24 1xck h VAL 464 N 0.45 1.41 -0.28 0.95 2.07 -1.72 -1.20 116.25 117.94 1xck h VAL 464 Ca 0.22 -1.39 -0.01 0.00 0.82 0.00 0.00 66.70 66.34 1xck h VAL 464 Cb 0.29 2.33 -0.01 0.00 -1.52 0.00 0.00 31.29 32.38 1xck h VAL 464 CO -0.06 0.35 0.12 0.58 0.02 0.00 0.00 177.57 178.58 1xck h VAL 465 N -0.64 1.17 -0.24 2.57 2.07 -1.05 -1.53 116.25 118.60 1xck h VAL 465 Ca -0.00 -0.49 0.06 0.00 0.82 0.00 0.00 66.70 67.08 1xck h VAL 465 Cb 0.60 0.98 -0.06 0.00 -1.52 0.00 0.00 31.29 31.29 1xck h VAL 465 CO 0.00 0.17 -0.14 0.00 0.02 0.00 0.00 177.57 177.63 1xck h ALA 466 N 0.97 0.05 -0.65 1.67 0.00 -0.21 -0.59 119.26 120.50 1xck h ALA 466 Ca 0.09 0.09 0.07 0.00 0.00 0.00 0.00 54.91 55.17 1xck h ALA 466 Cb 0.16 0.32 -0.06 0.00 0.00 0.00 0.00 17.79 18.21 1xck h ALA 466 CO -0.01 -0.55 0.33 -0.97 0.00 0.00 0.00 179.25 178.05 1xck h ASN 467 N -0.12 0.46 -0.01 0.00 -1.24 -0.97 -1.38 115.58 112.32 1xck h ASN 467 Ca 0.13 0.05 -0.00 0.00 0.71 0.00 0.00 56.30 57.19 1xck h ASN 467 Cb 0.32 -0.04 -0.00 0.00 0.73 0.00 0.00 38.32 39.33 1xck h ASN 467 CO -0.32 0.28 0.00 0.74 -1.29 0.00 0.00 177.43 176.85 1xck h THR 468 N 0.60 1.22 -0.98 -3.57 2.02 -0.68 -2.66 112.91 108.87 1xck h THR 468 Ca 0.31 -0.66 0.09 0.00 0.77 0.00 0.00 66.41 66.91 1xck h THR 468 Cb 0.26 1.65 -0.07 0.00 -1.74 0.00 0.00 68.15 68.25 1xck h THR 468 CO -0.22 0.17 0.63 0.58 0.37 0.00 0.00 175.52 177.05 1xck h VAL 469 N -0.26 1.02 -0.80 3.16 2.07 -0.86 -0.14 116.25 120.43 1xck h VAL 469 Ca 0.00 -0.37 -0.03 0.00 0.82 0.00 0.00 66.70 67.13 1xck h VAL 469 Cb 0.28 -0.14 -0.04 0.00 -1.52 0.00 0.00 31.29 29.87 1xck h VAL 469 CO 0.00 0.20 0.40 0.11 0.02 0.00 0.00 177.57 178.29 1xck h LYS 470 N 1.07 1.15 0.00 1.57 1.57 -1.17 -2.20 116.57 118.56 1xck h LYS 470 Ca 0.45 -0.16 -0.00 0.00 -1.87 0.00 0.00 60.65 59.07 1xck h LYS 470 Cb 0.30 -0.21 -0.00 0.00 0.08 0.00 0.00 32.23 32.40 1xck h LYS 470 CO -0.20 0.87 -0.00 0.78 -0.57 0.00 0.00 179.45 180.34 1xck h GLY 471 N 1.17 0.00 0.00 3.86 0.00 -0.66 -3.44 103.07 104.00 1xck h GLY 471 Ca 0.28 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.61 1xck h GLY 471 CO -0.04 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.11 1xck n GLY 472 N -1.03 0.09 3.21 4.60 0.00 -0.83 -5.12 105.19 106.12 1xck n GLY 472 Ca -0.03 -1.77 -0.13 0.00 0.00 0.00 0.00 46.02 44.09 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 -1.00 0.32 0.23 1.61 1.01 -1.26 -5.02 116.67 112.55 1xck s ASP 473 Ca 0.00 -1.42 0.00 0.00 0.71 0.00 0.00 52.55 51.84 1xck s ASP 473 Cb 0.00 0.38 0.00 0.00 1.01 0.00 0.00 42.92 44.31 1xck s ASP 473 CO 0.00 -0.85 0.00 0.61 0.21 0.00 0.00 175.17 175.14 1xck n GLY 474 N -0.31 2.58 1.98 0.21 0.00 -1.26 -0.61 105.19 107.79 1xck n GLY 474 Ca 0.02 -0.02 -0.20 0.00 0.00 0.00 0.00 46.02 45.82 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 1.22 4.56 -4.72 1.61 4.13 -1.26 -4.90 115.26 115.89 1xck n ASN 475 Ca 0.00 -3.28 -0.41 0.00 1.68 0.00 0.00 54.58 52.57 1xck n ASN 475 Cb 0.00 -0.83 -0.04 0.00 -1.54 0.00 0.00 39.78 37.37 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 -2.59 3.70 0.04 3.10 5.04 0.22 -0.33 117.35 126.52 1xck s TYR 476 Ca 0.45 1.70 -0.03 0.00 -2.44 0.00 0.00 57.07 56.74 1xck s TYR 476 Cb 0.37 -3.14 0.01 0.00 0.35 0.00 0.00 41.96 39.55 1xck s TYR 476 CO 0.06 -0.12 0.14 0.41 -1.34 0.00 0.00 175.55 174.70 1xck n GLY 477 N 2.47 1.41 3.72 8.97 0.00 0.36 -4.71 105.19 117.41 1xck n GLY 477 Ca 0.04 -0.98 -0.36 0.00 0.00 0.00 0.00 46.02 44.72 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 -6.28 3.40 -0.76 1.61 5.04 -1.26 -1.40 117.35 117.70 1xck s TYR 478 Ca 0.03 0.36 -0.18 0.00 -2.44 0.00 0.00 57.07 54.84 1xck s TYR 478 Cb -0.01 -2.22 0.14 0.00 0.35 0.00 0.00 41.96 40.23 1xck s TYR 478 CO 0.01 0.23 0.86 1.21 -1.34 0.00 0.00 175.55 176.53 1xck s ASN 479 N 0.52 6.46 0.44 4.32 3.84 0.07 -4.90 114.94 125.70 1xck s ASN 479 Ca 0.10 -1.92 0.21 0.00 0.21 0.00 0.00 52.86 51.45 1xck s ASN 479 Cb -0.12 -2.31 1.17 0.00 -0.55 0.00 0.00 41.25 39.44 1xck s ASN 479 CO 0.00 -0.98 1.85 0.00 -2.79 0.00 0.00 177.10 175.18 1xck h ALA 480 N 8.74 2.34 -0.44 1.71 0.00 -1.94 0.54 119.26 130.21 1xck h ALA 480 Ca -0.05 0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.83 1xck h ALA 480 Cb 1.06 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.83 1xck h ALA 480 CO 1.02 -0.64 0.12 0.00 0.00 0.00 0.00 179.25 179.75 1xck h ALA 481 N 1.60 0.57 -0.02 0.00 0.00 -1.96 -3.29 119.26 116.17 1xck h ALA 481 Ca 0.48 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 55.20 1xck h ALA 481 Cb 1.33 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.96 1xck h ALA 481 CO -0.16 0.24 -0.08 0.25 0.00 0.00 0.00 179.25 179.50 1xck n THR 482 N -4.54 0.00 -2.22 0.00 -2.24 -0.71 -4.98 114.28 99.59 1xck n THR 482 Ca 0.00 -0.46 -0.21 0.00 -2.27 0.00 0.00 64.05 61.12 1xck n THR 482 Cb 0.20 1.28 -0.03 0.00 -2.10 0.00 0.00 70.33 69.68 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 0.58 -1.64 -5.00 -0.78 1.02 0.18 -4.98 120.64 110.02 1xck n GLU 483 Ca 0.08 1.06 -0.32 0.00 -0.02 0.00 0.00 57.16 57.96 1xck n GLU 483 Cb 0.36 -5.67 -0.14 0.00 -0.02 0.00 0.00 31.44 25.97 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 -4.76 2.56 0.44 3.49 0.41 -1.18 -4.90 118.70 114.76 1xck s GLU 484 Ca 0.00 -0.76 -0.04 0.00 -0.41 0.00 0.00 54.97 53.75 1xck s GLU 484 Cb 0.00 -2.32 -0.04 0.00 -1.78 0.00 0.00 34.13 29.99 1xck s GLU 484 CO 0.00 0.52 0.72 0.71 -0.49 0.00 0.00 175.26 176.73 1xck s TYR 485 N -0.49 3.54 -5.00 1.61 1.51 -1.26 -0.75 117.35 116.51 1xck s TYR 485 Ca 0.06 0.72 0.00 0.00 -1.01 0.00 0.00 57.07 56.84 1xck s TYR 485 Cb -0.12 -2.21 0.00 0.00 -0.11 0.00 0.00 41.96 39.52 1xck s TYR 485 CO 0.01 -0.16 0.00 0.41 -1.11 0.00 0.00 175.55 174.70 1xck n GLY 486 N -2.04 -0.49 3.61 0.71 0.00 -0.50 -4.93 105.19 101.55 1xck n GLY 486 Ca -0.01 -1.27 -0.43 0.00 0.00 0.00 0.00 46.02 44.32 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 6.70 0.27 1.61 3.84 -1.26 -0.49 114.94 121.61 1xck s ASN 487 Ca 0.00 0.59 -0.01 0.00 0.21 0.00 0.00 52.86 53.66 1xck s ASN 487 Cb 0.00 -2.52 0.51 0.00 -0.55 0.00 0.00 41.25 38.69 1xck s ASN 487 CO 0.00 -1.07 1.81 0.24 -2.79 0.00 0.00 177.10 175.29 1xck h MET 488 N 8.80 0.84 -0.11 0.43 2.86 -0.98 0.85 114.93 127.61 1xck h MET 488 Ca -0.22 -0.05 -0.02 0.00 -2.06 0.00 0.00 59.70 57.34 1xck h MET 488 Cb 1.06 -0.19 -0.00 0.00 0.06 0.00 0.00 31.60 32.53 1xck h MET 488 CO 1.07 0.56 -0.01 0.82 1.06 0.00 0.00 176.91 180.40 1xck h ILE 489 N 0.87 1.27 -0.70 -1.22 1.08 -1.76 0.15 117.51 117.19 1xck h ILE 489 Ca 0.47 -0.88 0.06 0.00 -0.39 0.00 0.00 64.86 64.12 1xck h ILE 489 Cb 0.50 1.63 -0.06 0.00 -3.07 0.00 0.00 36.82 35.82 1xck h ILE 489 CO -0.28 0.25 0.40 0.44 -0.69 0.00 0.00 178.15 178.27 1xck h ASP 490 N -0.09 0.60 0.00 1.72 3.32 -1.78 0.27 116.42 120.45 1xck h ASP 490 Ca 0.03 0.03 0.00 0.00 0.02 0.00 0.00 57.03 57.11 1xck h ASP 490 Cb 0.39 -0.09 0.00 0.00 0.22 0.00 0.00 39.33 39.85 1xck h ASP 490 CO 0.01 0.38 0.00 0.23 -1.72 0.00 0.00 179.24 178.14 1xck n MET 491 N -4.76 0.64 -2.32 3.56 2.81 0.24 -4.86 117.12 112.42 1xck n MET 491 Ca 0.09 0.00 -0.10 0.00 -1.81 0.00 0.00 57.70 55.88 1xck n MET 491 Cb 0.17 -1.46 0.00 0.00 -0.71 0.00 0.00 33.22 31.22 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 0.26 -0.01 3.01 3.03 0.00 0.93 -4.99 105.19 107.43 1xck n GLY 492 Ca 0.14 -0.42 -0.32 0.00 0.00 0.00 0.00 46.02 45.42 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 -2.61 2.85 0.31 -0.61 1.01 0.45 -5.02 121.20 117.58 1xck s ILE 493 Ca 0.04 -2.99 0.03 0.00 0.00 0.00 0.00 60.65 57.73 1xck s ILE 493 Cb -0.02 -2.96 -0.04 0.00 0.01 0.00 0.00 42.46 39.45 1xck s ILE 493 CO 0.05 -0.78 0.14 -1.48 0.00 0.00 0.00 174.94 172.88 1xck s LEU 494 N 0.05 1.72 -0.01 2.97 0.05 -1.26 -0.61 118.68 121.59 1xck s LEU 494 Ca 0.15 -1.53 -0.01 0.00 0.05 0.00 0.00 54.13 52.79 1xck s LEU 494 Cb -0.23 0.11 -0.00 0.00 -2.05 0.00 0.00 46.19 44.02 1xck s LEU 494 CO -0.02 -0.85 0.03 -1.81 -0.55 0.00 0.00 176.35 173.14 1xck s ASP 495 N -3.39 0.02 0.22 1.48 1.01 -0.31 -4.52 116.67 111.18 1xck s ASP 495 Ca 0.35 -0.05 -0.31 0.00 0.71 0.00 0.00 52.55 53.26 1xck s ASP 495 Cb 0.05 0.08 -0.10 0.00 1.01 0.00 0.00 42.92 43.96 1xck s ASP 495 CO 0.16 -0.08 1.52 -2.84 0.21 0.00 0.00 175.17 174.15 1xck s PRO 496 N -0.30 4.22 0.46 8.23 0.02 -1.26 -1.56 135.00 144.80 1xck s PRO 496 Ca -0.03 2.38 0.25 0.00 0.02 0.00 0.00 61.00 63.61 1xck s PRO 496 Cb -0.02 -3.11 1.27 0.00 0.02 0.00 0.00 34.50 32.66 1xck s PRO 496 CO -0.00 -0.54 1.80 1.15 -0.33 0.00 0.00 177.00 179.08 1xck h THR 497 N 3.70 0.50 -0.92 0.99 2.02 -1.02 0.16 112.91 118.34 1xck h THR 497 Ca -0.45 -0.08 0.02 0.00 0.77 0.00 0.00 66.41 66.67 1xck h THR 497 Cb 1.21 0.24 -0.05 0.00 -1.74 0.00 0.00 68.15 67.81 1xck h THR 497 CO 0.84 0.04 0.60 0.50 0.37 0.00 0.00 175.52 177.87 1xck h LYS 498 N 0.24 1.17 -0.15 6.66 3.64 -1.81 0.18 116.57 126.49 1xck h LYS 498 Ca 0.56 -0.07 -0.18 0.00 -1.27 0.00 0.00 60.65 59.69 1xck h LYS 498 Cb 1.73 -0.26 -0.00 0.00 -0.41 0.00 0.00 32.23 33.29 1xck h LYS 498 CO -0.18 0.77 -0.64 -0.39 -2.27 0.00 0.00 179.45 176.75 1xck h VAL 499 N 1.20 1.33 -0.31 2.00 -1.51 -1.01 -0.72 116.25 117.24 1xck h VAL 499 Ca 0.35 -1.93 -0.12 0.00 -1.23 0.00 0.00 66.70 63.77 1xck h VAL 499 Cb -0.08 1.90 -0.01 0.00 -2.13 0.00 0.00 31.29 30.97 1xck h VAL 499 CO -0.09 0.59 -0.29 0.74 -1.23 0.00 0.00 177.57 177.29 1xck h THR 500 N 0.41 1.29 -0.35 7.19 2.02 -1.31 -0.62 112.91 121.54 1xck h THR 500 Ca -0.01 -1.45 -0.00 0.00 0.77 0.00 0.00 66.41 65.72 1xck h THR 500 Cb 1.21 1.52 -0.02 0.00 -1.74 0.00 0.00 68.15 69.12 1xck h THR 500 CO 0.12 0.47 0.22 -0.09 0.37 0.00 0.00 175.52 176.61 1xck h ARG 501 N 0.51 0.48 -0.30 6.66 2.43 -0.88 -2.09 114.38 121.18 1xck h ARG 501 Ca 0.05 -0.04 -0.01 0.00 -0.81 0.00 0.00 59.98 59.17 1xck h ARG 501 Cb 0.86 -0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 30.29 1xck h ARG 501 CO 0.07 0.35 0.13 0.77 -1.51 0.00 0.00 179.97 179.79 1xck h SER 502 N 0.47 0.40 -0.62 -3.80 0.02 -1.06 -0.75 113.55 108.21 1xck h SER 502 Ca 0.13 -0.14 0.07 0.00 -0.84 0.00 0.00 61.79 61.01 1xck h SER 502 Cb -0.01 -0.10 -0.06 0.00 0.14 0.00 0.00 62.40 62.37 1xck h SER 502 CO -0.02 0.43 0.30 0.00 -1.14 0.00 0.00 176.83 176.39 1xck h ALA 503 N 0.98 0.82 0.14 3.77 0.00 -0.98 -0.37 119.26 123.63 1xck h ALA 503 Ca 0.10 0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.05 1xck h ALA 503 Cb 0.15 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.90 1xck h ALA 503 CO -0.01 -0.08 -0.07 1.25 0.00 0.00 0.00 179.25 180.34 1xck h LEU 504 N 0.53 -0.16 -0.67 0.00 5.85 -1.13 -1.88 115.31 117.85 1xck h LEU 504 Ca 0.30 -0.25 0.02 0.00 0.84 0.00 0.00 57.88 58.79 1xck h LEU 504 Cb 0.28 0.04 -0.04 0.00 0.37 0.00 0.00 40.66 41.31 1xck h LEU 504 CO -0.24 0.17 0.42 1.56 -0.34 0.00 0.00 178.44 180.02 1xck h GLN 505 N -0.51 0.81 -0.28 1.25 4.20 -0.90 -0.60 115.11 119.09 1xck h GLN 505 Ca -0.02 -0.05 -0.05 0.00 0.06 0.00 0.00 58.65 58.59 1xck h GLN 505 Cb 0.40 -0.18 -0.01 0.00 0.30 0.00 0.00 27.48 27.99 1xck h GLN 505 CO 0.03 0.54 -0.04 1.88 -0.67 0.00 0.00 178.83 180.57 1xck h TYR 506 N 0.83 0.57 0.06 2.96 0.05 -1.11 -0.66 116.97 119.68 1xck h TYR 506 Ca 0.26 -0.11 0.02 0.00 0.05 0.00 0.00 58.73 58.95 1xck h TYR 506 Cb -0.00 -0.14 -0.03 0.00 1.01 0.00 0.00 36.73 37.56 1xck h TYR 506 CO -0.04 0.69 -0.20 0.00 -1.05 0.00 0.00 178.16 177.56 1xck h ALA 507 N 0.80 -0.30 -0.95 3.88 0.00 -1.09 -1.52 119.26 120.08 1xck h ALA 507 Ca 0.07 -0.02 0.10 0.00 0.00 0.00 0.00 54.91 55.07 1xck h ALA 507 Cb 0.49 0.33 -0.07 0.00 0.00 0.00 0.00 17.79 18.54 1xck h ALA 507 CO 0.02 -0.72 0.61 0.00 0.00 0.00 0.00 179.25 179.17 1xck h ALA 508 N 0.49 1.57 0.45 0.00 0.00 -1.05 -0.35 119.26 120.36 1xck h ALA 508 Ca 0.04 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 1xck h ALA 508 Cb 0.40 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.97 1xck h ALA 508 CO -0.14 0.23 -0.24 1.03 0.00 0.00 0.00 179.25 180.13 1xck h SER 509 N 0.96 -0.57 0.31 0.00 0.87 -0.11 0.68 113.55 115.68 1xck h SER 509 Ca 0.45 0.03 -0.10 0.00 -1.23 0.00 0.00 61.79 60.93 1xck h SER 509 Cb 0.42 0.16 -0.01 0.00 -0.44 0.00 0.00 62.40 62.52 1xck h SER 509 CO -0.21 -0.39 -0.43 1.62 -0.53 0.00 0.00 176.83 176.89 1xck h VAL 510 N -0.64 1.32 -0.51 2.23 3.04 -1.12 -2.57 116.25 118.00 1xck h VAL 510 Ca -0.06 -1.54 -0.08 0.00 -1.01 0.00 0.00 66.70 64.02 1xck h VAL 510 Cb 0.50 1.74 -0.02 0.00 -2.01 0.00 0.00 31.29 31.50 1xck h VAL 510 CO 0.08 0.45 0.00 0.00 -1.01 0.00 0.00 177.57 177.10 1xck h ALA 511 N 1.43 0.68 -0.70 3.17 0.00 -0.84 -1.67 119.26 121.33 1xck h ALA 511 Ca 0.01 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.64 1xck h ALA 511 Cb 0.81 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 18.38 1xck h ALA 511 CO 0.06 0.49 0.45 0.78 0.00 0.00 0.00 179.25 181.03 1xck h GLY 512 N 0.76 1.00 0.99 0.00 0.00 -0.65 -0.46 103.07 104.71 1xck h GLY 512 Ca 0.14 -0.39 -0.03 0.00 0.00 0.00 0.00 47.33 47.06 1xck h GLY 512 CO 0.03 0.38 0.28 1.41 0.00 0.00 0.00 176.54 178.63 1xck h LEU 513 N 0.95 0.80 -0.31 3.11 3.38 -1.19 -2.42 115.31 119.64 1xck h LEU 513 Ca 0.25 -0.14 -0.12 0.00 0.09 0.00 0.00 57.88 57.97 1xck h LEU 513 Cb -0.08 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.46 1xck h LEU 513 CO -0.05 0.72 -0.26 0.24 0.09 0.00 0.00 178.44 179.17 1xck h MET 514 N 0.83 0.72 -0.09 1.13 2.86 -1.02 -2.83 114.93 116.52 1xck h MET 514 Ca 0.20 -0.37 0.03 0.00 -2.06 0.00 0.00 59.70 57.51 1xck h MET 514 Cb 0.14 0.01 -0.00 0.00 0.06 0.00 0.00 31.60 31.81 1xck h MET 514 CO -0.02 0.98 0.07 0.82 1.06 0.00 0.00 176.91 179.82 1xck h ILE 515 N 0.48 0.89 -0.87 -1.22 2.04 -0.96 -1.78 117.51 116.08 1xck h ILE 515 Ca 0.05 0.00 -0.45 0.00 1.00 0.00 0.00 64.86 65.47 1xck h ILE 515 Cb 0.83 0.95 -0.27 0.00 -0.74 0.00 0.00 36.82 37.59 1xck h ILE 515 CO 0.07 0.00 0.50 0.35 0.00 0.00 0.00 178.15 179.07 1xck n THR 516 N -4.41 3.08 -3.87 -0.27 -2.24 -0.92 -4.81 114.28 100.83 1xck n THR 516 Ca -0.01 -2.08 -0.35 0.00 -2.27 0.00 0.00 64.05 59.35 1xck n THR 516 Cb 0.18 -0.44 -0.08 0.00 -2.10 0.00 0.00 70.33 67.89 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 -3.28 5.15 -0.01 4.28 2.01 -0.67 -4.96 115.64 118.15 1xck s THR 517 Ca 0.55 0.09 0.05 0.00 0.31 0.00 0.00 61.69 62.68 1xck s THR 517 Cb 0.46 -3.32 -0.07 0.00 0.01 0.00 0.00 72.50 69.58 1xck s THR 517 CO 0.09 0.47 0.10 -0.62 -0.69 0.00 0.00 174.62 173.97 1xck n GLU 518 N 3.31 0.32 -3.88 4.92 -0.58 -1.26 -4.80 120.64 118.67 1xck n GLU 518 Ca -0.17 -0.04 -0.11 0.00 -0.42 0.00 0.00 57.16 56.42 1xck n GLU 518 Cb 0.52 -1.11 -0.12 0.00 -0.57 0.00 0.00 31.44 30.17 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 -0.75 0.97 -0.08 0.00 -1.94 -0.11 -5.00 119.30 112.40 1xck s MET 520 Ca -0.08 -0.20 0.04 0.00 -1.71 0.00 0.00 55.69 53.74 1xck s MET 520 Cb -0.05 -0.91 0.00 0.00 2.01 0.00 0.00 34.83 35.88 1xck s MET 520 CO 0.00 -0.01 -0.22 0.08 -0.01 0.00 0.00 175.02 174.86 1xck s VAL 521 N 0.66 1.88 0.27 -6.03 1.01 -1.26 -1.20 120.40 115.72 1xck s VAL 521 Ca -0.10 -0.92 -0.12 0.00 0.00 0.00 0.00 61.98 60.84 1xck s VAL 521 Cb -0.13 -1.62 0.00 0.00 0.00 0.00 0.00 36.38 34.63 1xck s VAL 521 CO 0.01 0.52 0.51 0.28 0.00 0.00 0.00 175.10 176.42 1xck s THR 522 N 0.30 0.00 0.68 3.92 -1.32 -0.79 -4.98 115.64 113.45 1xck s THR 522 Ca -0.15 -1.38 -0.13 0.00 -1.21 0.00 0.00 61.69 58.81 1xck s THR 522 Cb -0.17 -2.30 0.01 0.00 -1.51 0.00 0.00 72.50 68.53 1xck s THR 522 CO 0.07 0.00 1.09 -1.81 -2.21 0.00 0.00 174.62 171.76 1xck s ASP 523 N -3.05 5.14 0.17 8.08 1.01 -1.26 0.35 116.67 127.11 1xck s ASP 523 Ca 0.22 1.86 -0.30 0.00 0.71 0.00 0.00 52.55 55.05 1xck s ASP 523 Cb -0.01 -2.53 -0.07 0.00 1.01 0.00 0.00 42.92 41.31 1xck s ASP 523 CO 0.11 -1.61 1.09 -0.76 0.21 0.00 0.00 175.17 174.22 1xck s LEU 524 N -5.14 4.48 0.00 1.23 1.02 -1.19 -4.48 118.68 114.60 1xck s LEU 524 Ca 0.64 2.06 0.00 0.00 0.02 0.00 0.00 54.13 56.85 1xck s LEU 524 Cb -0.18 -3.60 0.00 0.00 0.02 0.00 0.00 46.19 42.43 1xck s LEU 524 CO 0.46 -0.22 0.39 -0.81 0.02 0.00 0.00 176.35 176.18