#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xck n ALA 3 N 0.00 1.15 -2.46 0.00 0.00 -1.26 -4.95 120.51 112.99 1xck n ALA 3 Ca 0.00 0.42 -0.21 0.00 0.00 0.00 0.00 53.44 53.65 1xck n ALA 3 Cb 0.00 -2.29 -0.03 0.00 0.00 0.00 0.00 19.45 17.13 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 -0.19 2.71 -0.22 0.00 -0.14 -1.26 -3.07 119.74 117.56 1xck s LYS 4 Ca 0.70 -1.32 -0.01 0.00 -1.36 0.00 0.00 55.97 53.98 1xck s LYS 4 Cb -0.65 -2.47 0.02 0.00 -1.68 0.00 0.00 37.83 33.04 1xck s LYS 4 CO 0.48 0.05 -0.11 0.34 -0.76 0.00 0.00 175.35 175.35 1xck s ASP 5 N -4.02 3.88 -0.13 2.83 -1.08 0.17 -4.76 116.67 113.57 1xck s ASP 5 Ca 0.42 -0.74 -0.01 0.00 -0.52 0.00 0.00 52.55 51.70 1xck s ASP 5 Cb -0.06 -1.60 -0.02 0.00 -1.46 0.00 0.00 42.92 39.78 1xck s ASP 5 CO 0.27 -0.06 -0.10 -0.69 0.52 0.00 0.00 175.17 175.11 1xck s VAL 6 N 1.32 3.37 0.05 1.11 1.01 -1.26 -1.98 120.40 124.02 1xck s VAL 6 Ca 0.02 -0.55 0.08 0.00 0.00 0.00 0.00 61.98 61.53 1xck s VAL 6 Cb -0.15 -2.43 -0.03 0.00 0.00 0.00 0.00 36.38 33.77 1xck s VAL 6 CO -0.07 0.52 -0.24 -0.54 0.00 0.00 0.00 175.10 174.77 1xck s LYS 7 N 0.21 1.57 0.33 2.72 1.02 -0.39 -4.98 119.74 120.23 1xck s LYS 7 Ca -0.06 -1.04 0.10 0.00 0.02 0.00 0.00 55.97 54.99 1xck s LYS 7 Cb -0.15 -1.74 -0.06 0.00 -0.52 0.00 0.00 37.83 35.36 1xck s LYS 7 CO 0.04 0.44 -0.12 -0.06 -0.92 0.00 0.00 175.35 174.74 1xck s PHE 8 N -0.82 2.38 0.00 3.18 0.08 -1.26 -0.98 117.98 120.57 1xck s PHE 8 Ca 0.10 -0.46 0.00 0.00 0.12 0.00 0.00 56.93 56.68 1xck s PHE 8 Cb -0.09 -1.30 0.00 0.00 -0.57 0.00 0.00 43.02 41.05 1xck s PHE 8 CO 0.02 0.61 0.00 0.41 -0.10 0.00 0.00 175.22 176.16 1xck n GLY 9 N -0.76 1.01 0.29 4.36 0.00 0.18 -2.07 105.19 108.19 1xck n GLY 9 Ca -0.05 -0.04 0.09 0.00 0.00 0.00 0.00 46.02 46.02 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 0.07 -0.89 1.61 -0.73 -1.93 0.41 115.58 114.12 1xck h ASN 10 Ca 0.00 0.16 0.09 0.00 1.87 0.00 0.00 56.30 58.42 1xck h ASN 10 Cb 0.00 0.20 -0.07 0.00 0.27 0.00 0.00 38.32 38.72 1xck h ASN 10 CO 0.00 -0.05 0.54 -0.78 -0.37 0.00 0.00 177.43 176.77 1xck h ASP 11 N 0.29 0.80 -0.13 1.15 3.58 -1.88 -0.94 116.42 119.28 1xck h ASP 11 Ca 0.47 0.04 -0.04 0.00 0.42 0.00 0.00 57.03 57.92 1xck h ASP 11 Cb 0.86 -0.12 -0.00 0.00 1.72 0.00 0.00 39.33 41.78 1xck h ASP 11 CO -0.55 0.46 -0.09 0.00 -2.88 0.00 0.00 179.24 176.19 1xck h ALA 12 N 1.47 0.19 -0.80 -0.78 0.00 -0.38 -3.18 119.26 115.78 1xck h ALA 12 Ca 0.42 -0.28 -0.01 0.00 0.00 0.00 0.00 54.91 55.04 1xck h ALA 12 Cb 0.34 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.05 1xck h ALA 12 CO -0.23 0.01 0.47 0.00 0.00 0.00 0.00 179.25 179.50 1xck h ARG 13 N -0.06 1.09 -0.56 0.00 3.08 -0.60 -2.00 114.38 115.33 1xck h ARG 13 Ca 0.03 -0.10 -0.08 0.00 0.07 0.00 0.00 59.98 59.90 1xck h ARG 13 Cb 0.58 -0.23 -0.02 0.00 0.08 0.00 0.00 29.97 30.38 1xck h ARG 13 CO 0.02 0.78 0.04 -0.39 -1.07 0.00 0.00 179.97 179.35 1xck h VAL 14 N 1.11 1.25 -0.39 2.04 -1.51 -1.26 -0.66 116.25 116.84 1xck h VAL 14 Ca 0.29 -1.03 0.03 0.00 -1.23 0.00 0.00 66.70 64.76 1xck h VAL 14 Cb -0.02 0.78 -0.03 0.00 -2.13 0.00 0.00 31.29 29.88 1xck h VAL 14 CO -0.05 0.37 0.19 0.11 -1.23 0.00 0.00 177.57 176.96 1xck h LYS 15 N 0.87 0.38 0.30 5.19 1.79 -1.40 0.16 116.57 123.85 1xck h LYS 15 Ca 0.17 -0.02 -0.01 0.00 -2.18 0.00 0.00 60.65 58.60 1xck h LYS 15 Cb 0.46 -0.09 0.00 0.00 -1.58 0.00 0.00 32.23 31.02 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 -0.39 -0.30 3.15 2.86 -1.00 -1.60 114.93 118.05 1xck h MET 16 Ca 0.16 0.03 0.07 0.00 -2.06 0.00 0.00 59.70 57.90 1xck h MET 16 Cb 0.07 0.09 -0.07 0.00 0.06 0.00 0.00 31.60 31.76 1xck h MET 16 CO -0.12 -0.23 -0.13 1.25 1.06 0.00 0.00 176.91 178.75 1xck h LEU 17 N -0.45 -0.44 -0.85 1.22 5.85 -0.89 0.22 115.31 119.97 1xck h LEU 17 Ca -0.04 0.11 0.17 0.00 0.84 0.00 0.00 57.88 58.96 1xck h LEU 17 Cb 0.34 0.25 -0.11 0.00 0.37 0.00 0.00 40.66 41.52 1xck h LEU 17 CO 0.07 -0.16 0.39 -0.09 -0.34 0.00 0.00 178.44 178.30 1xck h ARG 18 N -0.08 0.49 -0.19 1.25 9.65 -0.54 0.85 114.38 125.81 1xck h ARG 18 Ca 0.15 -0.03 -0.05 0.00 -1.10 0.00 0.00 59.98 58.95 1xck h ARG 18 Cb 0.31 -0.11 -0.00 0.00 -1.39 0.00 0.00 29.97 28.78 1xck h ARG 18 CO -0.35 0.32 -0.09 0.78 2.80 0.00 0.00 179.97 183.43 1xck h GLY 19 N 0.50 0.43 2.00 2.80 0.00 -0.04 -2.88 103.07 105.88 1xck h GLY 19 Ca 0.49 -0.39 -0.02 0.00 0.00 0.00 0.00 47.33 47.41 1xck h GLY 19 CO -0.43 0.35 -0.08 -0.39 0.00 0.00 0.00 176.54 175.99 1xck h VAL 20 N 0.09 0.25 -0.32 4.60 -1.51 -0.11 -2.45 116.25 116.80 1xck h VAL 20 Ca 0.04 -0.66 -0.12 0.00 -1.23 0.00 0.00 66.70 64.73 1xck h VAL 20 Cb 0.57 1.53 -0.01 0.00 -2.13 0.00 0.00 31.29 31.25 1xck h VAL 20 CO 0.03 0.08 -0.29 0.78 -1.23 0.00 0.00 177.57 176.94 1xck h ASN 21 N 0.00 0.68 -0.07 4.19 2.35 -0.67 0.24 115.58 122.29 1xck h ASN 21 Ca -0.00 -0.26 -0.01 0.00 -0.55 0.00 0.00 56.30 55.48 1xck h ASN 21 Cb 0.52 -0.19 -0.00 0.00 0.05 0.00 0.00 38.32 38.70 1xck h ASN 21 CO 0.01 0.93 0.01 0.58 -1.65 0.00 0.00 177.43 177.31 1xck h VAL 22 N 0.56 1.23 0.41 2.81 2.07 -1.24 0.54 116.25 122.63 1xck h VAL 22 Ca 0.07 -0.70 -0.01 0.00 0.82 0.00 0.00 66.70 66.88 1xck h VAL 22 Cb 0.79 1.55 -0.01 0.00 -1.52 0.00 0.00 31.29 32.10 1xck h VAL 22 CO 0.06 0.19 -0.27 0.25 0.02 0.00 0.00 177.57 177.83 1xck h LEU 23 N -0.13 -0.69 -0.59 2.57 5.85 -1.31 -1.43 115.31 119.58 1xck h LEU 23 Ca 0.02 0.04 0.01 0.00 0.84 0.00 0.00 57.88 58.80 1xck h LEU 23 Cb 0.30 0.21 -0.03 0.00 0.37 0.00 0.00 40.66 41.51 1xck h LEU 23 CO 0.00 -0.42 0.39 0.00 -0.34 0.00 0.00 178.44 178.07 1xck h ALA 24 N -0.12 0.75 -0.51 1.25 0.00 -0.52 -1.32 119.26 118.78 1xck h ALA 24 Ca -0.04 -0.04 -0.05 0.00 0.00 0.00 0.00 54.91 54.78 1xck h ALA 24 Cb 0.55 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.09 1xck h ALA 24 CO 0.03 0.17 0.10 -0.44 0.00 0.00 0.00 179.25 179.11 1xck h ASP 25 N 0.79 0.75 -0.11 0.00 3.32 -0.78 0.22 116.42 120.61 1xck h ASP 25 Ca 0.22 -0.14 -0.15 0.00 0.02 0.00 0.00 57.03 56.98 1xck h ASP 25 Cb -0.07 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 39.27 1xck h ASP 25 CO -0.06 0.76 -0.44 0.00 -1.72 0.00 0.00 179.24 177.77 1xck h ALA 26 N 1.34 0.73 0.20 3.45 0.00 -0.92 -3.32 119.26 120.75 1xck h ALA 26 Ca 0.17 -0.47 -0.33 0.00 0.00 0.00 0.00 54.91 54.28 1xck h ALA 26 Cb 0.32 -0.10 0.02 0.00 0.00 0.00 0.00 17.79 18.03 1xck h ALA 26 CO 0.00 0.67 -1.57 0.28 0.00 0.00 0.00 179.25 178.62 1xck h VAL 27 N 0.53 1.10 0.00 0.00 2.07 -0.91 -3.38 116.25 115.66 1xck h VAL 27 Ca 0.04 -2.57 0.00 0.00 0.82 0.00 0.00 66.70 64.99 1xck h VAL 27 Cb 0.98 2.88 0.00 0.00 -1.52 0.00 0.00 31.29 33.64 1xck h VAL 27 CO 0.09 0.82 0.00 0.07 0.02 0.00 0.00 177.57 178.57 1xck h LYS 28 N 0.05 0.00 0.00 1.57 2.10 -0.67 -2.57 116.57 117.06 1xck h LYS 28 Ca -0.30 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.35 1xck h LYS 28 Cb 2.07 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 33.40 1xck h LYS 28 CO 0.20 0.00 0.00 -0.39 -2.00 0.00 0.00 179.45 177.26 1xck h VAL 29 N 0.00 0.00 0.00 0.07 -1.51 -1.74 -2.40 116.25 110.67 1xck h VAL 29 Ca 0.00 -0.44 0.00 0.00 -1.23 0.00 0.00 66.70 65.03 1xck h VAL 29 Cb 0.21 1.38 0.00 0.00 -2.13 0.00 0.00 31.29 30.74 1xck h VAL 29 CO 0.00 0.00 -0.23 0.35 -1.23 0.00 0.00 177.57 176.46 1xck n THR 30 N -2.89 0.53 -1.71 7.19 -2.24 -0.97 -0.15 114.28 114.03 1xck n THR 30 Ca 0.01 -0.29 -0.43 0.00 -2.27 0.00 0.00 64.05 61.07 1xck n THR 30 Cb 0.28 -0.42 -0.01 0.00 -2.10 0.00 0.00 70.33 68.08 1xck n THR 30 CO 0.00 0.00 0.00 -0.11 -0.57 0.00 0.00 175.07 174.39 1xck n LEU 31 N -2.23 3.76 0.00 3.22 7.94 -0.91 -4.06 117.00 124.72 1xck n LEU 31 Ca 0.05 1.19 0.00 0.00 -1.11 0.00 0.00 56.01 56.13 1xck n LEU 31 Cb 0.44 -1.51 0.00 0.00 0.53 0.00 0.00 43.42 42.88 1xck n LEU 31 CO 0.33 -0.29 0.00 0.61 -1.11 0.00 0.00 177.39 176.93 1xck n GLY 32 N 1.27 -1.21 0.23 -3.96 0.00 -1.26 -3.65 105.19 96.62 1xck n GLY 32 Ca 0.06 -1.59 0.10 0.00 0.00 0.00 0.00 46.02 44.59 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 -0.72 1.61 0.13 -1.91 -2.89 132.00 128.22 1xck h PRO 33 Ca 0.00 0.00 -0.32 0.00 -0.87 0.00 0.00 66.00 64.81 1xck h PRO 33 Cb 0.00 0.00 -0.19 0.00 0.13 0.00 0.00 31.00 30.94 1xck h PRO 33 CO 0.00 0.21 0.33 1.63 -0.23 0.00 0.00 178.00 179.94 1xck n LYS 34 N -3.58 2.60 -1.83 0.86 4.76 -1.26 -5.01 118.16 114.70 1xck n LYS 34 Ca -0.01 -3.07 -0.37 0.00 -2.87 0.00 0.00 58.31 52.00 1xck n LYS 34 Cb 0.35 -2.08 0.06 0.00 -1.84 0.00 0.00 35.03 31.51 1xck n LYS 34 CO 0.00 0.00 0.00 0.20 -1.37 0.00 0.00 177.40 176.23 1xck s GLY 35 N -1.57 2.83 0.71 0.72 0.00 -1.09 -4.62 107.32 104.29 1xck s GLY 35 Ca 0.53 1.16 -0.04 0.00 0.00 0.00 0.00 44.72 46.37 1xck s GLY 35 CO 0.09 1.58 0.99 0.50 0.00 0.00 0.00 173.10 176.26 1xck s ARG 36 N -3.34 1.88 0.01 2.90 1.81 0.79 -4.91 118.95 118.08 1xck s ARG 36 Ca 0.81 -0.73 -0.10 0.00 -1.72 0.00 0.00 55.73 53.98 1xck s ARG 36 Cb -0.35 -2.26 -0.05 0.00 -0.45 0.00 0.00 34.95 31.83 1xck s ARG 36 CO 0.38 -1.35 0.34 -0.80 -0.68 0.00 0.00 175.30 173.19 1xck s ASN 37 N -4.63 6.64 -0.10 0.23 0.02 -1.26 -4.34 114.94 111.50 1xck s ASN 37 Ca 0.64 0.76 0.03 0.00 -1.02 0.00 0.00 52.86 53.27 1xck s ASN 37 Cb -0.08 -2.17 -0.01 0.00 0.02 0.00 0.00 41.25 39.02 1xck s ASN 37 CO 0.44 0.28 -0.20 -0.69 0.02 0.00 0.00 177.10 176.94 1xck s VAL 38 N -1.22 2.41 -0.28 1.60 1.01 0.80 -4.93 120.40 119.80 1xck s VAL 38 Ca 0.26 -0.90 -0.12 0.00 0.00 0.00 0.00 61.98 61.22 1xck s VAL 38 Cb -0.14 -1.95 -0.05 0.00 0.00 0.00 0.00 36.38 34.24 1xck s VAL 38 CO 0.14 0.55 0.23 -0.69 0.00 0.00 0.00 175.10 175.33 1xck s VAL 39 N 0.23 5.28 -0.26 2.92 1.01 -1.26 -1.16 120.40 127.15 1xck s VAL 39 Ca -0.13 0.24 -0.07 0.00 0.00 0.00 0.00 61.98 62.02 1xck s VAL 39 Cb -0.16 -3.57 -0.02 0.00 0.00 0.00 0.00 36.38 32.63 1xck s VAL 39 CO 0.07 0.22 0.07 -0.76 0.00 0.00 0.00 175.10 174.71 1xck s LEU 40 N 1.82 3.54 0.20 3.92 1.43 0.85 -4.93 118.68 125.52 1xck s LEU 40 Ca 0.09 -0.32 -0.30 0.00 -1.03 0.00 0.00 54.13 52.57 1xck s LEU 40 Cb -0.16 -1.92 -0.08 0.00 0.03 0.00 0.00 46.19 44.06 1xck s LEU 40 CO 0.11 -0.07 1.02 -0.62 0.23 0.00 0.00 176.35 177.02 1xck s ASP 41 N 1.59 7.44 -0.07 2.29 2.15 -1.26 -0.60 116.67 128.21 1xck s ASP 41 Ca 0.06 2.02 0.05 0.00 0.43 0.00 0.00 52.55 55.11 1xck s ASP 41 Cb -0.16 -2.61 -0.01 0.00 -0.30 0.00 0.00 42.92 39.85 1xck s ASP 41 CO 0.03 -0.05 -0.23 -0.54 -0.17 0.00 0.00 175.17 174.21 1xck s LYS 42 N -0.77 2.68 0.46 4.34 1.02 -1.26 -4.94 119.74 121.26 1xck s LYS 42 Ca 0.45 -0.86 0.21 0.00 0.02 0.00 0.00 55.97 55.79 1xck s LYS 42 Cb -0.28 -2.24 1.20 0.00 -0.52 0.00 0.00 37.83 35.99 1xck s LYS 42 CO 0.34 0.37 1.89 0.66 -0.92 0.00 0.00 175.35 177.69 1xck h SER 43 N 6.12 0.27 -3.60 2.83 4.64 -1.96 -3.39 113.55 118.46 1xck h SER 43 Ca -0.31 0.03 -0.65 0.00 -0.47 0.00 0.00 61.79 60.38 1xck h SER 43 Cb 1.18 -0.03 -0.23 0.00 -0.31 0.00 0.00 62.40 63.02 1xck h SER 43 CO 0.48 0.12 -0.63 -0.36 -0.87 0.00 0.00 176.83 175.57 1xck s PHE 44 N -5.28 3.08 0.00 4.77 0.08 -1.26 -5.03 117.98 114.34 1xck s PHE 44 Ca -0.07 -0.45 0.00 0.00 0.12 0.00 0.00 56.93 56.53 1xck s PHE 44 Cb 0.22 -2.22 0.00 0.00 -0.57 0.00 0.00 43.02 40.45 1xck s PHE 44 CO 0.77 -0.35 0.00 0.41 -0.10 0.00 0.00 175.22 175.95 1xck n GLY 45 N 4.84 -0.19 3.88 4.36 0.00 -1.26 -4.91 105.19 111.91 1xck n GLY 45 Ca -0.16 -1.23 -0.31 0.00 0.00 0.00 0.00 46.02 44.32 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 -1.35 3.44 1.01 4.61 0.00 -1.26 -4.87 121.76 123.34 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 -2.59 0.20 0.00 0.00 0.00 0.00 23.12 20.73 1xck s ALA 46 CO 0.00 0.20 1.08 -2.14 0.00 0.00 0.00 175.76 174.90 1xck s PRO 47 N -3.43 0.32 -0.19 0.00 0.02 -1.26 -4.64 135.00 125.82 1xck s PRO 47 Ca 0.50 0.89 -0.08 0.00 0.02 0.00 0.00 61.00 62.33 1xck s PRO 47 Cb -0.10 -1.70 -0.04 0.00 0.02 0.00 0.00 34.50 32.68 1xck s PRO 47 CO 0.26 -2.90 0.07 0.99 -0.33 0.00 0.00 177.00 175.10 1xck s THR 48 N -2.73 4.88 -0.16 0.99 2.01 0.23 -4.94 115.64 115.92 1xck s THR 48 Ca 0.66 0.00 -0.06 0.00 0.31 0.00 0.00 61.69 62.60 1xck s THR 48 Cb -0.21 -3.21 -0.04 0.00 0.01 0.00 0.00 72.50 69.05 1xck s THR 48 CO 0.60 0.45 0.04 -0.63 -0.69 0.00 0.00 174.62 174.38 1xck s ILE 49 N 0.42 4.56 0.09 1.82 1.01 -1.26 -0.10 121.20 127.73 1xck s ILE 49 Ca 0.04 -0.12 -0.10 0.00 0.00 0.00 0.00 60.65 60.47 1xck s ILE 49 Cb -0.12 -3.03 0.00 0.00 0.01 0.00 0.00 42.46 39.32 1xck s ILE 49 CO 0.00 0.49 0.22 0.28 0.00 0.00 0.00 174.94 175.92 1xck s THR 50 N 0.21 0.13 -0.02 2.92 -1.32 -0.31 -4.95 115.64 112.30 1xck s THR 50 Ca 0.03 -1.10 0.02 0.00 -1.21 0.00 0.00 61.69 59.43 1xck s THR 50 Cb -0.13 -1.31 0.04 0.00 -1.51 0.00 0.00 72.50 69.59 1xck s THR 50 CO 0.01 -0.61 0.98 0.29 -2.21 0.00 0.00 174.62 173.08 1xck n LYS 51 N -0.06 2.49 -3.02 7.08 5.02 -1.26 -0.14 118.16 128.27 1xck n LYS 51 Ca -0.15 -1.55 -0.43 0.00 -2.02 0.00 0.00 58.31 54.15 1xck n LYS 51 Cb 0.62 -1.02 -0.06 0.00 -0.02 0.00 0.00 35.03 34.56 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 -1.16 6.32 0.42 4.39 2.15 -1.26 -4.81 116.67 122.72 1xck s ASP 52 Ca 0.04 -0.44 0.14 0.00 0.43 0.00 0.00 52.55 52.73 1xck s ASP 52 Cb 0.04 -2.36 1.02 0.00 -0.30 0.00 0.00 42.92 41.32 1xck s ASP 52 CO 0.00 -0.95 1.94 1.23 -0.17 0.00 0.00 175.17 177.22 1xck h GLY 53 N 10.12 0.69 1.06 2.66 0.00 -1.93 -1.96 103.07 113.70 1xck h GLY 53 Ca -0.26 -0.18 -0.08 0.00 0.00 0.00 0.00 47.33 46.80 1xck h GLY 53 CO 0.98 0.08 0.06 -2.08 0.00 0.00 0.00 176.54 175.58 1xck h VAL 54 N 0.44 1.26 -0.12 4.60 2.07 -1.96 -0.10 116.25 122.44 1xck h VAL 54 Ca 0.34 -1.07 -0.01 0.00 0.82 0.00 0.00 66.70 66.78 1xck h VAL 54 Cb 0.72 0.76 -0.00 0.00 -1.52 0.00 0.00 31.29 31.24 1xck h VAL 54 CO -0.11 0.39 0.03 0.28 0.02 0.00 0.00 177.57 178.19 1xck h SER 55 N 0.94 0.17 -0.00 0.57 0.02 -1.80 -2.08 113.55 111.37 1xck h SER 55 Ca 0.18 -0.21 0.02 0.00 -0.84 0.00 0.00 61.79 60.94 1xck h SER 55 Cb 0.48 -0.05 -0.02 0.00 0.14 0.00 0.00 62.40 62.95 1xck h SER 55 CO 0.02 0.34 -0.11 0.58 -1.14 0.00 0.00 176.83 176.52 1xck h VAL 56 N -0.00 0.73 -0.90 2.27 2.07 -1.27 -2.56 116.25 116.59 1xck h VAL 56 Ca 0.04 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.65 1xck h VAL 56 Cb 0.23 0.73 -0.06 0.00 -1.52 0.00 0.00 31.29 30.67 1xck h VAL 56 CO -0.00 0.00 0.58 0.00 0.02 0.00 0.00 177.57 178.17 1xck h ALA 57 N 0.79 1.60 -0.86 1.67 0.00 -0.96 -1.73 119.26 119.78 1xck h ALA 57 Ca 0.04 -0.01 0.10 0.00 0.00 0.00 0.00 54.91 55.04 1xck h ALA 57 Cb 0.23 -0.22 -0.07 0.00 0.00 0.00 0.00 17.79 17.73 1xck h ALA 57 CO -0.11 0.23 0.51 -0.09 0.00 0.00 0.00 179.25 179.78 1xck h ARG 58 N 0.93 0.82 0.00 0.00 2.43 -0.95 -2.07 114.38 115.54 1xck h ARG 58 Ca 0.41 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.53 1xck h ARG 58 Cb 0.36 -0.19 0.00 0.00 -0.42 0.00 0.00 29.97 29.73 1xck h ARG 58 CO -0.17 0.54 0.00 0.39 -1.51 0.00 0.00 179.97 179.22 1xck n GLU 59 N -4.71 0.05 -2.64 0.20 -0.58 -0.66 -4.82 120.64 107.48 1xck n GLU 59 Ca 0.14 0.15 -0.43 0.00 -0.42 0.00 0.00 57.16 56.60 1xck n GLU 59 Cb 0.28 -1.57 -0.02 0.00 -0.57 0.00 0.00 31.44 29.56 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 -3.04 4.49 -0.12 -3.67 -1.09 -0.78 -4.99 121.20 112.00 1xck s ILE 60 Ca 0.10 1.69 -0.05 0.00 -2.23 0.00 0.00 60.65 60.16 1xck s ILE 60 Cb 0.14 -4.43 0.05 0.00 -1.58 0.00 0.00 42.46 36.65 1xck s ILE 60 CO 0.43 -0.52 0.26 -0.70 -1.23 0.00 0.00 174.94 173.18 1xck s GLU 61 N 3.70 0.20 0.04 2.79 2.12 -1.26 -4.90 118.70 121.40 1xck s GLU 61 Ca 0.45 0.61 -0.01 0.00 0.36 0.00 0.00 54.97 56.39 1xck s GLU 61 Cb -0.12 -0.09 -0.04 0.00 0.26 0.00 0.00 34.13 34.14 1xck s GLU 61 CO 0.17 -0.20 0.20 -0.51 -0.54 0.00 0.00 175.26 174.37 1xck s LEU 62 N 1.62 4.34 0.13 2.70 1.43 -1.26 -5.03 118.68 122.60 1xck s LEU 62 Ca -0.06 0.28 -0.13 0.00 -1.03 0.00 0.00 54.13 53.19 1xck s LEU 62 Cb -0.11 -2.86 -0.05 0.00 0.03 0.00 0.00 46.19 43.21 1xck s LEU 62 CO -0.09 0.19 1.48 -0.08 0.23 0.00 0.00 176.35 178.08 1xck h GLU 63 N 3.27 0.84 -6.34 1.70 4.81 -2.00 -3.42 114.58 113.45 1xck h GLU 63 Ca -0.46 -0.41 -0.54 0.00 -0.13 0.00 0.00 59.36 57.82 1xck h GLU 63 Cb 1.17 -0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.54 1xck h GLU 63 CO 0.74 1.05 0.98 0.34 -0.73 0.00 0.00 179.01 181.39 1xck s ASP 64 N -6.64 6.72 0.22 1.04 -1.08 -1.26 -4.91 116.67 110.76 1xck s ASP 64 Ca -0.12 2.24 -0.08 0.00 -0.52 0.00 0.00 52.55 54.07 1xck s ASP 64 Cb 0.10 -2.55 0.31 0.00 -1.46 0.00 0.00 42.92 39.33 1xck s ASP 64 CO 0.85 -0.85 1.77 0.11 0.52 0.00 0.00 175.17 177.58 1xck h LYS 65 N 8.66 0.54 -0.00 4.34 1.79 -1.94 -0.18 116.57 129.78 1xck h LYS 65 Ca -0.39 -0.03 -0.00 0.00 -2.18 0.00 0.00 60.65 58.05 1xck h LYS 65 Cb 1.18 -0.12 -0.00 0.00 -1.58 0.00 0.00 32.23 31.71 1xck h LYS 65 CO 0.93 0.36 -0.00 0.74 -1.08 0.00 0.00 179.45 180.40 1xck h PHE 66 N 0.55 0.00 -0.97 -1.35 0.04 -1.93 -1.80 116.94 111.48 1xck h PHE 66 Ca 0.33 -0.00 0.07 0.00 2.80 0.00 0.00 57.97 61.18 1xck h PHE 66 Cb 0.36 -0.00 -0.07 0.00 2.20 0.00 0.00 35.95 38.44 1xck h PHE 66 CO -0.12 0.37 0.62 0.93 -0.60 0.00 0.00 178.31 179.52 1xck h GLU 67 N -0.37 1.08 -0.62 1.51 5.08 -1.62 -1.41 114.58 118.24 1xck h GLU 67 Ca 0.00 -0.06 -0.05 0.00 -1.00 0.00 0.00 59.36 58.25 1xck h GLU 67 Cb 0.37 -0.24 -0.03 0.00 0.50 0.00 0.00 28.75 29.35 1xck h GLU 67 CO 0.00 0.71 0.19 -0.97 -1.00 0.00 0.00 179.01 177.94 1xck h ASN 68 N 1.11 0.87 -0.85 1.42 -1.24 -0.90 -1.91 115.58 114.08 1xck h ASN 68 Ca 0.43 -0.15 -0.00 0.00 0.71 0.00 0.00 56.30 57.29 1xck h ASN 68 Cb 0.21 -0.23 -0.04 0.00 0.73 0.00 0.00 38.32 38.99 1xck h ASN 68 CO -0.19 0.82 0.52 0.24 -1.29 0.00 0.00 177.43 177.53 1xck h MET 69 N 0.91 1.16 -0.20 6.67 2.86 -0.37 0.12 114.93 126.07 1xck h MET 69 Ca 0.20 -0.10 -0.01 0.00 -2.06 0.00 0.00 59.70 57.73 1xck h MET 69 Cb 0.27 -0.24 -0.01 0.00 0.06 0.00 0.00 31.60 31.67 1xck h MET 69 CO -0.01 0.81 0.10 0.78 1.06 0.00 0.00 176.91 179.65 1xck h GLY 70 N 1.20 0.31 0.89 8.32 0.00 -0.86 -0.99 103.07 111.94 1xck h GLY 70 Ca 0.31 -0.16 -0.01 0.00 0.00 0.00 0.00 47.33 47.47 1xck h GLY 70 CO -0.06 0.15 0.09 0.00 0.00 0.00 0.00 176.54 176.72 1xck h ALA 71 N 0.96 0.30 -0.47 3.60 0.00 -0.96 -2.90 119.26 119.79 1xck h ALA 71 Ca 0.07 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 1xck h ALA 71 Cb 0.12 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 1xck h ALA 71 CO -0.01 -0.10 0.26 1.96 0.00 0.00 0.00 179.25 181.36 1xck h GLN 72 N 0.21 0.63 -0.00 0.00 1.08 -0.66 -0.53 115.11 115.84 1xck h GLN 72 Ca 0.08 -0.06 -0.00 0.00 -1.45 0.00 0.00 58.65 57.22 1xck h GLN 72 Cb 0.19 -0.13 -0.00 0.00 -0.05 0.00 0.00 27.48 27.49 1xck h GLN 72 CO -0.01 0.46 0.00 0.52 -0.95 0.00 0.00 178.83 178.86 1xck h MET 73 N 0.64 0.01 -0.00 1.46 2.86 -0.98 -0.63 114.93 118.28 1xck h MET 73 Ca 0.17 -0.00 -0.17 0.00 -2.06 0.00 0.00 59.70 57.64 1xck h MET 73 Cb 0.01 -0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.65 1xck h MET 73 CO -0.03 0.21 -0.79 -0.39 1.06 0.00 0.00 176.91 176.97 1xck h VAL 74 N -0.20 1.53 -0.64 -2.22 -1.51 -1.39 -2.88 116.25 108.95 1xck h VAL 74 Ca 0.00 -2.61 0.05 0.00 -1.23 0.00 0.00 66.70 62.91 1xck h VAL 74 Cb 0.20 2.42 -0.05 0.00 -2.13 0.00 0.00 31.29 31.73 1xck h VAL 74 CO -0.00 0.75 0.36 0.50 -1.23 0.00 0.00 177.57 177.95 1xck h LYS 75 N 0.04 0.67 -0.27 5.19 3.64 -1.00 0.13 116.57 124.96 1xck h LYS 75 Ca -0.02 -0.04 -0.07 0.00 -1.27 0.00 0.00 60.65 59.25 1xck h LYS 75 Cb 1.39 -0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 33.05 1xck h LYS 75 CO 0.11 0.44 -0.10 1.49 -2.27 0.00 0.00 179.45 179.12 1xck h GLU 76 N 0.69 0.54 -0.28 1.90 4.81 -1.00 -2.48 114.58 118.76 1xck h GLU 76 Ca 0.28 -0.23 -0.09 0.00 -0.13 0.00 0.00 59.36 59.19 1xck h GLU 76 Cb 0.13 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.48 1xck h GLU 76 CO -0.16 0.78 -0.18 0.28 -0.73 0.00 0.00 179.01 179.00 1xck h VAL 77 N 0.28 1.30 -0.30 0.32 2.07 -1.29 -3.09 116.25 115.55 1xck h VAL 77 Ca 0.06 -1.30 -0.02 0.00 0.82 0.00 0.00 66.70 66.26 1xck h VAL 77 Cb 0.60 1.54 -0.02 0.00 -1.52 0.00 0.00 31.29 31.90 1xck h VAL 77 CO 0.03 0.41 0.09 0.00 0.02 0.00 0.00 177.57 178.13 1xck h ALA 78 N 0.73 1.61 -0.37 1.67 0.00 -0.79 -1.39 119.26 120.72 1xck h ALA 78 Ca 0.06 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 1xck h ALA 78 Cb 0.71 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.36 1xck h ALA 78 CO 0.05 0.30 0.20 0.66 0.00 0.00 0.00 179.25 180.46 1xck h SER 79 N 0.42 0.45 -0.11 0.00 4.64 -1.36 -1.50 113.55 116.09 1xck h SER 79 Ca 0.10 -0.03 -0.01 0.00 -0.47 0.00 0.00 61.79 61.38 1xck h SER 79 Cb 0.13 -0.11 -0.01 0.00 -0.31 0.00 0.00 62.40 62.10 1xck h SER 79 CO -0.01 0.37 0.04 0.11 -0.87 0.00 0.00 176.83 176.47 1xck h LYS 80 N 0.52 0.22 -0.27 4.77 1.57 -1.25 -1.90 116.57 120.22 1xck h LYS 80 Ca 0.13 -0.02 -0.00 0.00 -1.87 0.00 0.00 60.65 58.89 1xck h LYS 80 Cb 0.02 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.28 1xck h LYS 80 CO -0.02 0.21 0.15 0.00 -0.57 0.00 0.00 179.45 179.22 1xck h ALA 81 N 1.83 0.35 -0.60 3.86 0.00 -1.30 0.06 119.26 123.46 1xck h ALA 81 Ca 0.06 -0.06 -0.03 0.00 0.00 0.00 0.00 54.91 54.88 1xck h ALA 81 Cb 0.09 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.74 1xck h ALA 81 CO -0.00 -0.12 0.27 -0.97 0.00 0.00 0.00 179.25 178.42 1xck h ASN 82 N 0.33 0.81 -0.43 0.00 -1.24 -1.44 -0.82 115.58 112.80 1xck h ASN 82 Ca 0.10 -0.15 0.00 0.00 0.71 0.00 0.00 56.30 56.96 1xck h ASN 82 Cb 0.05 -0.21 -0.02 0.00 0.73 0.00 0.00 38.32 38.87 1xck h ASN 82 CO -0.02 0.73 0.28 0.44 -1.29 0.00 0.00 177.43 177.58 1xck h ASP 83 N 0.83 0.49 -0.19 1.15 3.32 -1.07 0.71 116.42 121.66 1xck h ASP 83 Ca 0.20 -0.02 -0.04 0.00 0.02 0.00 0.00 57.03 57.20 1xck h ASP 83 Cb 0.16 -0.12 -0.01 0.00 0.22 0.00 0.00 39.33 39.58 1xck h ASP 83 CO -0.02 0.36 -0.03 0.00 -1.72 0.00 0.00 179.24 177.83 1xck h ALA 84 N 1.15 0.25 -0.01 3.45 0.00 -0.69 -3.37 119.26 120.05 1xck h ALA 84 Ca 0.16 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1xck h ALA 84 Cb -0.06 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.66 1xck h ALA 84 CO -0.03 0.00 0.00 0.00 0.00 0.00 0.00 179.25 179.22 1xck n ALA 85 N -2.35 2.27 -1.03 0.00 0.00 -0.34 -5.00 120.51 114.07 1xck n ALA 85 Ca -0.05 -0.74 -0.01 0.00 0.00 0.00 0.00 53.44 52.64 1xck n ALA 85 Cb 0.25 -0.03 -0.00 0.00 0.00 0.00 0.00 19.45 19.67 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 -0.18 0.49 3.64 0.00 0.00 0.25 -4.66 105.19 104.73 1xck n GLY 86 Ca 0.01 -0.28 0.03 0.00 0.00 0.00 0.00 46.02 45.77 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 -2.29 -0.03 0.00 1.61 2.15 -1.23 -4.92 116.67 111.96 1xck s ASP 87 Ca 0.00 -0.09 0.00 0.00 0.43 0.00 0.00 52.55 52.89 1xck s ASP 87 Cb 0.00 0.10 0.00 0.00 -0.30 0.00 0.00 42.92 42.72 1xck s ASP 87 CO 0.00 -0.19 0.00 0.61 -0.17 0.00 0.00 175.17 175.42 1xck n GLY 88 N -0.54 0.58 0.08 2.66 0.00 -1.26 -3.62 105.19 103.09 1xck n GLY 88 Ca -0.08 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.82 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 0.98 -0.32 2.61 2.02 -1.89 0.09 112.91 116.40 1xck h THR 89 Ca 0.00 -0.14 0.02 0.00 0.77 0.00 0.00 66.41 67.06 1xck h THR 89 Cb 0.00 1.07 -0.02 0.00 -1.74 0.00 0.00 68.15 67.46 1xck h THR 89 CO 0.00 0.04 0.16 0.74 0.37 0.00 0.00 175.52 176.83 1xck h THR 90 N -0.16 1.00 -0.03 3.16 2.02 -1.91 -0.70 112.91 116.29 1xck h THR 90 Ca -0.01 -0.12 0.03 0.00 0.77 0.00 0.00 66.41 67.09 1xck h THR 90 Cb 0.13 0.63 -0.04 0.00 -1.74 0.00 0.00 68.15 67.12 1xck h THR 90 CO 0.02 0.06 -0.22 0.74 0.37 0.00 0.00 175.52 176.49 1xck h THR 91 N 0.34 0.48 -0.89 3.16 2.02 -1.95 0.88 112.91 116.96 1xck h THR 91 Ca 0.13 0.00 0.14 0.00 0.77 0.00 0.00 66.41 67.45 1xck h THR 91 Cb 0.03 0.48 -0.09 0.00 -1.74 0.00 0.00 68.15 66.84 1xck h THR 91 CO -0.08 0.00 0.50 0.00 0.37 0.00 0.00 175.52 176.31 1xck h ALA 92 N 0.56 1.35 -0.00 6.16 0.00 -0.69 0.11 119.26 126.75 1xck h ALA 92 Ca 0.07 0.06 -0.00 0.00 0.00 0.00 0.00 54.91 55.04 1xck h ALA 92 Cb 0.43 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.14 1xck h ALA 92 CO -0.22 0.00 0.00 1.15 0.00 0.00 0.00 179.25 180.18 1xck h THR 93 N 0.73 1.13 -0.08 0.00 2.02 0.23 0.19 112.91 117.14 1xck h THR 93 Ca 0.47 -0.39 -0.08 0.00 0.77 0.00 0.00 66.41 67.18 1xck h THR 93 Cb 0.61 1.40 -0.01 0.00 -1.74 0.00 0.00 68.15 68.40 1xck h THR 93 CO -0.33 0.10 -0.30 -0.37 0.37 0.00 0.00 175.52 175.00 1xck h VAL 94 N -0.16 1.24 -0.18 3.16 -1.51 -0.12 -0.87 116.25 117.81 1xck h VAL 94 Ca 0.00 -1.15 -0.03 0.00 -1.23 0.00 0.00 66.70 64.28 1xck h VAL 94 Cb 0.17 1.52 -0.01 0.00 -2.13 0.00 0.00 31.29 30.84 1xck h VAL 94 CO -0.00 0.34 -0.01 -0.07 -1.23 0.00 0.00 177.57 176.60 1xck h LEU 95 N 0.13 0.32 -0.76 4.19 3.38 -0.59 -2.00 115.31 119.98 1xck h LEU 95 Ca 0.02 -0.32 0.04 0.00 0.09 0.00 0.00 57.88 57.71 1xck h LEU 95 Cb 0.60 -0.09 -0.05 0.00 0.09 0.00 0.00 40.66 41.21 1xck h LEU 95 CO 0.04 0.57 0.47 0.00 0.09 0.00 0.00 178.44 179.61 1xck h ALA 96 N 0.77 1.01 -0.39 1.53 0.00 -0.24 -0.15 119.26 121.79 1xck h ALA 96 Ca 0.05 -0.01 0.01 0.00 0.00 0.00 0.00 54.91 54.96 1xck h ALA 96 Cb 0.41 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 1xck h ALA 96 CO 0.01 0.22 0.25 0.37 0.00 0.00 0.00 179.25 180.11 1xck h GLN 97 N 0.89 0.49 -0.08 0.00 4.15 -1.01 -0.15 115.11 119.40 1xck h GLN 97 Ca 0.32 -0.03 0.01 0.00 0.77 0.00 0.00 58.65 59.72 1xck h GLN 97 Cb 0.09 -0.11 -0.01 0.00 0.21 0.00 0.00 27.48 27.66 1xck h GLN 97 CO -0.14 0.33 0.02 0.00 -1.93 0.00 0.00 178.83 177.10 1xck h ALA 98 N 1.15 0.08 -0.11 3.38 0.00 -0.57 -0.12 119.26 123.07 1xck h ALA 98 Ca 0.15 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.06 1xck h ALA 98 Cb -0.04 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 17.76 1xck h ALA 98 CO -0.05 -0.45 0.04 0.82 0.00 0.00 0.00 179.25 179.61 1xck h ILE 99 N 0.05 1.17 -0.69 0.00 2.04 -0.87 -2.84 117.51 116.37 1xck h ILE 99 Ca 0.04 -0.51 0.01 0.00 1.00 0.00 0.00 64.86 65.39 1xck h ILE 99 Cb 0.03 1.31 -0.03 0.00 -0.74 0.00 0.00 36.82 37.38 1xck h ILE 99 CO -0.05 0.15 0.46 0.40 0.00 0.00 0.00 178.15 179.11 1xck h ILE 100 N -0.00 1.18 0.37 -0.67 2.04 -0.88 0.14 117.51 119.69 1xck h ILE 100 Ca 0.04 -0.32 -0.01 0.00 1.00 0.00 0.00 64.86 65.56 1xck h ILE 100 Cb 0.20 0.16 -0.01 0.00 -0.74 0.00 0.00 36.82 36.44 1xck h ILE 100 CO -0.00 0.17 -0.23 0.74 0.00 0.00 0.00 178.15 178.83 1xck h THR 101 N 0.94 0.51 -0.30 -0.27 2.02 -0.98 -0.27 112.91 114.56 1xck h THR 101 Ca 0.25 0.00 -0.15 0.00 0.77 0.00 0.00 66.41 67.28 1xck h THR 101 Cb -0.11 0.51 -0.01 0.00 -1.74 0.00 0.00 68.15 66.81 1xck h THR 101 CO -0.05 0.00 -0.44 -0.33 0.37 0.00 0.00 175.52 175.07 1xck h GLU 102 N -0.58 0.75 -0.44 6.66 4.39 -1.42 -2.63 114.58 121.31 1xck h GLU 102 Ca -0.04 -0.41 0.05 0.00 0.34 0.00 0.00 59.36 59.29 1xck h GLU 102 Cb 0.48 0.02 -0.04 0.00 -0.10 0.00 0.00 28.75 29.11 1xck h GLU 102 CO 0.04 1.04 0.18 0.78 -1.16 0.00 0.00 179.01 179.89 1xck h GLY 103 N 0.90 0.58 1.16 -3.84 0.00 -0.60 -1.44 103.07 99.84 1xck h GLY 103 Ca 0.04 -0.12 -0.07 0.00 0.00 0.00 0.00 47.33 47.19 1xck h GLY 103 CO 0.09 0.06 0.15 1.41 0.00 0.00 0.00 176.54 178.25 1xck h LEU 104 N 0.37 0.98 -0.45 3.11 3.38 -0.98 -1.38 115.31 120.34 1xck h LEU 104 Ca 0.20 -0.20 0.04 0.00 0.09 0.00 0.00 57.88 58.01 1xck h LEU 104 Cb 0.15 -0.26 -0.04 0.00 0.09 0.00 0.00 40.66 40.60 1xck h LEU 104 CO -0.17 0.95 0.20 0.11 0.09 0.00 0.00 178.44 179.62 1xck h LYS 105 N 0.99 0.39 -0.73 1.13 1.57 -1.01 0.11 116.57 119.01 1xck h LYS 105 Ca 0.21 -0.02 0.02 0.00 -1.87 0.00 0.00 60.65 58.98 1xck h LYS 105 Cb 0.36 -0.09 -0.04 0.00 0.08 0.00 0.00 32.23 32.54 1xck h LYS 105 CO 0.00 0.26 0.48 0.00 -0.57 0.00 0.00 179.45 179.62 1xck h ALA 106 N 1.26 0.94 -0.60 3.86 0.00 -0.90 -0.56 119.26 123.27 1xck h ALA 106 Ca 0.20 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.06 1xck h ALA 106 Cb 0.14 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 17.63 1xck h ALA 106 CO -0.16 0.30 0.32 0.28 0.00 0.00 0.00 179.25 179.99 1xck h VAL 107 N 0.95 1.20 -0.15 0.00 2.07 -0.19 -1.82 116.25 118.30 1xck h VAL 107 Ca 0.28 -0.50 -0.06 0.00 0.82 0.00 0.00 66.70 67.25 1xck h VAL 107 Cb -0.05 0.43 -0.01 0.00 -1.52 0.00 0.00 31.29 30.14 1xck h VAL 107 CO -0.08 0.21 -0.16 0.00 0.02 0.00 0.00 177.57 177.56 1xck h ALA 108 N 1.15 1.44 0.00 1.67 0.00 -0.33 -0.05 119.26 123.14 1xck h ALA 108 Ca 0.21 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1xck h ALA 108 Cb 0.05 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.75 1xck h ALA 108 CO -0.03 0.39 0.00 0.00 0.00 0.00 0.00 179.25 179.61 1xck n ALA 109 N -2.49 1.87 0.00 0.00 0.00 -0.26 -4.86 120.51 114.77 1xck n ALA 109 Ca -0.01 -0.07 0.00 0.00 0.00 0.00 0.00 53.44 53.36 1xck n ALA 109 Cb 0.30 -1.29 0.00 0.00 0.00 0.00 0.00 19.45 18.46 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 0.27 0.92 3.83 0.00 0.00 -0.03 -5.08 105.19 105.10 1xck n GLY 110 Ca 0.06 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 -0.93 3.75 -0.12 1.61 1.00 -0.74 -4.99 119.30 118.88 1xck s MET 111 Ca 0.00 1.06 -0.30 0.00 0.00 0.00 0.00 55.69 56.45 1xck s MET 111 Cb 0.00 -2.10 -0.02 0.00 0.00 0.00 0.00 34.83 32.70 1xck s MET 111 CO 0.00 -0.44 1.28 1.21 0.00 0.00 0.00 175.02 177.06 1xck s ASN 112 N -2.91 6.95 0.22 3.03 3.84 -1.26 -4.46 114.94 120.36 1xck s ASN 112 Ca 0.61 1.79 -0.07 0.00 0.21 0.00 0.00 52.86 55.39 1xck s ASN 112 Cb -0.12 -2.54 0.34 0.00 -0.55 0.00 0.00 41.25 38.37 1xck s ASN 112 CO 0.32 -0.72 1.75 -0.65 -2.79 0.00 0.00 177.10 175.02 1xck h PRO 113 N 8.05 0.48 -0.48 0.43 0.11 -1.94 -0.33 132.00 138.32 1xck h PRO 113 Ca -0.30 -0.03 -0.06 0.00 0.11 0.00 0.00 66.00 65.72 1xck h PRO 113 Cb 1.13 -0.11 -0.02 0.00 0.11 0.00 0.00 31.00 32.11 1xck h PRO 113 CO 0.94 0.32 0.07 0.52 -0.21 0.00 0.00 178.00 179.63 1xck h MET 114 N 0.49 0.75 -0.19 1.05 2.86 -1.92 -1.10 114.93 116.87 1xck h MET 114 Ca 0.35 -0.16 -0.21 0.00 -2.06 0.00 0.00 59.70 57.62 1xck h MET 114 Cb 0.43 -0.11 0.01 0.00 0.06 0.00 0.00 31.60 31.99 1xck h MET 114 CO -0.31 0.71 -0.69 -0.44 1.06 0.00 0.00 176.91 177.24 1xck h ASP 115 N 0.71 0.90 -0.61 1.22 3.32 -1.70 -1.63 116.42 118.63 1xck h ASP 115 Ca 0.15 -0.55 0.03 0.00 0.02 0.00 0.00 57.03 56.68 1xck h ASP 115 Cb 0.34 -0.26 -0.04 0.00 0.22 0.00 0.00 39.33 39.59 1xck h ASP 115 CO 0.01 1.34 0.37 -0.07 -1.72 0.00 0.00 179.24 179.17 1xck h LEU 116 N 0.55 0.61 -0.16 1.55 3.38 -0.78 -0.49 115.31 119.97 1xck h LEU 116 Ca -0.03 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.93 1xck h LEU 116 Cb 1.31 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.92 1xck h LEU 116 CO 0.14 0.42 0.06 0.50 0.09 0.00 0.00 178.44 179.65 1xck h LYS 117 N 0.73 0.25 -0.89 1.13 3.64 -1.14 -1.03 116.57 119.26 1xck h LYS 117 Ca 0.24 -0.05 0.07 0.00 -1.27 0.00 0.00 60.65 59.65 1xck h LYS 117 Cb 0.02 -0.04 -0.06 0.00 -0.41 0.00 0.00 32.23 31.75 1xck h LYS 117 CO -0.10 0.35 0.58 -0.09 -2.27 0.00 0.00 179.45 177.91 1xck h ARG 118 N 0.10 0.95 -0.36 1.90 2.43 -0.79 0.29 114.38 118.90 1xck h ARG 118 Ca 0.05 -0.06 -0.10 0.00 -0.81 0.00 0.00 59.98 59.07 1xck h ARG 118 Cb 0.20 -0.21 -0.01 0.00 -0.42 0.00 0.00 29.97 29.52 1xck h ARG 118 CO -0.00 0.63 -0.16 0.78 -1.51 0.00 0.00 179.97 179.70 1xck h GLY 119 N 0.98 0.81 0.96 2.80 0.00 -0.82 -0.90 103.07 106.89 1xck h GLY 119 Ca 0.39 -0.72 0.01 0.00 0.00 0.00 0.00 47.33 47.01 1xck h GLY 119 CO -0.15 0.65 0.36 -2.22 0.00 0.00 0.00 176.54 175.19 1xck h ILE 120 N 0.53 1.12 -0.60 2.60 2.04 -0.31 -1.43 117.51 121.45 1xck h ILE 120 Ca 0.08 -0.25 -0.04 0.00 1.00 0.00 0.00 64.86 65.64 1xck h ILE 120 Cb 0.70 0.32 -0.03 0.00 -0.74 0.00 0.00 36.82 37.07 1xck h ILE 120 CO 0.05 0.13 0.20 0.44 0.00 0.00 0.00 178.15 178.98 1xck h ASP 121 N 0.74 0.86 -0.57 1.72 3.32 -0.79 -0.77 116.42 120.92 1xck h ASP 121 Ca 0.21 -0.20 -0.01 0.00 0.02 0.00 0.00 57.03 57.06 1xck h ASP 121 Cb -0.05 -0.22 -0.03 0.00 0.22 0.00 0.00 39.33 39.25 1xck h ASP 121 CO -0.06 0.83 0.34 0.50 -1.72 0.00 0.00 179.24 179.12 1xck h LYS 122 N 0.84 0.79 -0.48 3.56 3.64 -0.79 0.45 116.57 124.58 1xck h LYS 122 Ca 0.19 -0.08 -0.00 0.00 -1.27 0.00 0.00 60.65 59.49 1xck h LYS 122 Cb 0.26 -0.16 -0.02 0.00 -0.41 0.00 0.00 32.23 31.90 1xck h LYS 122 CO -0.01 0.58 0.29 0.00 -2.27 0.00 0.00 179.45 178.04 1xck h ALA 123 N 1.16 0.62 -0.65 5.00 0.00 -0.99 -1.91 119.26 122.49 1xck h ALA 123 Ca 0.20 -0.06 -0.06 0.00 0.00 0.00 0.00 54.91 54.99 1xck h ALA 123 Cb 0.00 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.57 1xck h ALA 123 CO -0.04 0.10 0.16 0.28 0.00 0.00 0.00 179.25 179.75 1xck h VAL 124 N 0.64 1.26 -0.77 0.00 2.07 -0.74 0.17 116.25 118.88 1xck h VAL 124 Ca 0.17 -0.94 -0.02 0.00 0.82 0.00 0.00 66.70 66.73 1xck h VAL 124 Cb -0.01 0.62 -0.04 0.00 -1.52 0.00 0.00 31.29 30.35 1xck h VAL 124 CO -0.03 0.36 0.42 0.74 0.02 0.00 0.00 177.57 179.07 1xck h THR 125 N 0.97 1.23 -0.22 2.57 2.02 -0.62 0.14 112.91 118.99 1xck h THR 125 Ca 0.20 -0.58 -0.13 0.00 0.77 0.00 0.00 66.41 66.67 1xck h THR 125 Cb 0.37 0.19 -0.00 0.00 -1.74 0.00 0.00 68.15 66.97 1xck h THR 125 CO 0.00 0.26 -0.38 0.00 0.37 0.00 0.00 175.52 175.77 1xck h ALA 126 N 1.38 0.35 -0.92 6.16 0.00 -1.04 -2.89 119.26 122.30 1xck h ALA 126 Ca 0.27 -0.44 0.03 0.00 0.00 0.00 0.00 54.91 54.76 1xck h ALA 126 Cb 0.03 -0.06 -0.05 0.00 0.00 0.00 0.00 17.79 17.71 1xck h ALA 126 CO -0.04 0.44 0.60 0.00 0.00 0.00 0.00 179.25 180.24 1xck h ALA 127 N 0.63 1.20 -0.47 0.00 0.00 0.08 -0.66 119.26 120.04 1xck h ALA 127 Ca 0.02 -0.05 -0.07 0.00 0.00 0.00 0.00 54.91 54.81 1xck h ALA 127 Cb 0.98 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 18.41 1xck h ALA 127 CO 0.09 0.49 0.01 0.28 0.00 0.00 0.00 179.25 180.12 1xck h VAL 128 N 1.18 1.24 -0.18 0.00 2.07 -0.71 -0.33 116.25 119.51 1xck h VAL 128 Ca 0.36 -0.97 -0.17 0.00 0.82 0.00 0.00 66.70 66.74 1xck h VAL 128 Cb -0.04 0.87 -0.00 0.00 -1.52 0.00 0.00 31.29 30.59 1xck h VAL 128 CO -0.11 0.34 -0.58 -0.08 0.02 0.00 0.00 177.57 177.17 1xck h GLU 129 N 0.72 0.59 -0.02 1.57 4.57 -1.19 -2.33 114.58 118.50 1xck h GLU 129 Ca 0.14 -0.39 -0.07 0.00 -1.18 0.00 0.00 59.36 57.86 1xck h GLU 129 Cb 0.43 0.05 -0.01 0.00 -0.16 0.00 0.00 28.75 29.06 1xck h GLU 129 CO 0.02 1.00 -0.33 1.49 -1.18 0.00 0.00 179.01 180.00 1xck h GLU 130 N 0.45 0.04 -0.25 1.92 4.57 -0.79 -2.38 114.58 118.13 1xck h GLU 130 Ca 0.00 -0.01 -0.13 0.00 -1.18 0.00 0.00 59.36 58.03 1xck h GLU 130 Cb 1.14 -0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.71 1xck h GLU 130 CO 0.11 0.37 -0.41 1.25 -1.18 0.00 0.00 179.01 179.15 1xck h LEU 131 N 0.03 0.62 -0.63 1.64 5.85 -0.70 -2.10 115.31 120.03 1xck h LEU 131 Ca 0.00 -0.28 -0.12 0.00 0.84 0.00 0.00 57.88 58.32 1xck h LEU 131 Cb 0.61 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 41.45 1xck h LEU 131 CO 0.04 0.95 -0.25 0.11 -0.34 0.00 0.00 178.44 178.96 1xck h LYS 132 N 0.48 0.81 -0.20 1.25 1.57 -0.94 -2.36 116.57 117.18 1xck h LYS 132 Ca 0.04 -0.35 -0.09 0.00 -1.87 0.00 0.00 60.65 58.38 1xck h LYS 132 Cb 0.91 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 33.18 1xck h LYS 132 CO 0.08 0.97 -0.29 0.00 -0.57 0.00 0.00 179.45 179.65 1xck h ALA 133 N 1.01 1.15 -0.00 3.86 0.00 -1.21 -3.04 119.26 121.03 1xck h ALA 133 Ca 0.09 -0.35 -0.18 0.00 0.00 0.00 0.00 54.91 54.47 1xck h ALA 133 Cb 0.78 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.45 1xck h ALA 133 CO 0.06 0.54 -0.82 1.25 0.00 0.00 0.00 179.25 180.29 1xck h LEU 134 N 0.34 0.18 -9.69 0.00 6.46 -1.27 -3.47 115.31 107.87 1xck h LEU 134 Ca 0.05 -0.14 -0.57 0.00 -0.12 0.00 0.00 57.88 57.09 1xck h LEU 134 Cb 0.68 -0.06 0.10 0.00 -0.73 0.00 0.00 40.66 40.66 1xck h LEU 134 CO 0.05 0.93 0.52 -0.24 -0.62 0.00 0.00 178.44 179.07 1xck n SER 135 N -3.67 2.69 -4.65 1.25 2.88 -0.90 -4.90 113.62 106.33 1xck n SER 135 Ca -0.03 1.19 -0.35 0.00 -1.33 0.00 0.00 58.87 58.35 1xck n SER 135 Cb 0.77 -1.46 -0.10 0.00 -0.75 0.00 0.00 64.21 62.68 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 -0.79 4.56 0.57 2.46 1.01 0.07 -4.89 120.40 123.38 1xck s VAL 136 Ca 0.59 -0.13 -0.19 0.00 0.00 0.00 0.00 61.98 62.25 1xck s VAL 136 Cb -0.60 -3.00 -0.04 0.00 0.00 0.00 0.00 36.38 32.74 1xck s VAL 136 CO 0.58 0.52 1.14 -2.84 0.00 0.00 0.00 175.10 174.51 1xck s PRO 137 N -0.13 3.18 -0.42 2.72 0.02 -1.26 -0.66 135.00 138.46 1xck s PRO 137 Ca 0.06 1.61 0.02 0.00 0.02 0.00 0.00 61.00 62.71 1xck s PRO 137 Cb -0.12 -1.98 0.14 0.00 0.02 0.00 0.00 34.50 32.55 1xck s PRO 137 CO 0.02 -0.99 0.23 0.00 -0.33 0.00 0.00 177.00 175.93 1xck n SER 139 N 3.63 0.05 -4.75 0.00 7.64 -1.26 -4.21 113.62 114.72 1xck n SER 139 Ca 0.09 0.01 -0.34 0.00 1.01 0.00 0.00 58.87 59.64 1xck n SER 139 Cb 0.35 -0.01 0.05 0.00 -1.01 0.00 0.00 64.21 63.58 1xck n SER 139 CO 0.00 0.00 0.00 1.51 -3.01 0.00 0.00 175.04 173.54 1xck s ASP 140 N -5.05 5.01 0.00 6.43 -4.77 -1.26 -4.84 116.67 112.19 1xck s ASP 140 Ca 0.00 2.21 0.14 0.00 -3.30 0.00 0.00 52.55 51.60 1xck s ASP 140 Cb 0.00 -2.58 0.76 0.00 -1.09 0.00 0.00 42.92 40.01 1xck s ASP 140 CO 0.00 -1.71 1.34 -1.54 0.70 0.00 0.00 175.17 173.96 1xck n SER 141 N -2.10 0.00 0.04 2.11 3.41 -1.26 -1.91 113.62 113.91 1xck n SER 141 Ca 0.12 -0.09 -0.19 0.00 -0.26 0.00 0.00 58.87 58.44 1xck n SER 141 Cb 0.51 -0.19 -0.12 0.00 -0.26 0.00 0.00 64.21 64.15 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 0.51 -0.28 4.33 3.64 -2.00 -2.69 116.57 120.08 1xck h LYS 142 Ca 0.00 -0.60 -0.10 0.00 -1.27 0.00 0.00 60.65 58.68 1xck h LYS 142 Cb 0.09 0.18 -0.01 0.00 -0.41 0.00 0.00 32.23 32.08 1xck h LYS 142 CO 0.00 1.23 -0.22 0.00 -2.27 0.00 0.00 179.45 178.19 1xck h ALA 143 N 0.30 0.40 -0.79 5.00 0.00 -1.75 -2.53 119.26 119.90 1xck h ALA 143 Ca -0.12 -0.37 0.12 0.00 0.00 0.00 0.00 54.91 54.54 1xck h ALA 143 Cb 1.56 -0.09 -0.08 0.00 0.00 0.00 0.00 17.79 19.18 1xck h ALA 143 CO 0.17 0.36 0.41 0.82 0.00 0.00 0.00 179.25 181.00 1xck h ILE 144 N 0.38 0.80 -0.65 0.00 2.04 -1.49 -0.11 117.51 118.48 1xck h ILE 144 Ca 0.05 -0.22 -0.08 0.00 1.00 0.00 0.00 64.86 65.61 1xck h ILE 144 Cb 0.77 0.10 -0.03 0.00 -0.74 0.00 0.00 36.82 36.92 1xck h ILE 144 CO 0.06 0.12 0.08 0.00 0.00 0.00 0.00 178.15 178.40 1xck h ALA 145 N 1.49 0.91 -0.24 1.87 0.00 -1.33 -1.65 119.26 120.33 1xck h ALA 145 Ca 0.41 -0.28 -0.02 0.00 0.00 0.00 0.00 54.91 55.02 1xck h ALA 145 Cb 0.49 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 1xck h ALA 145 CO -0.31 0.66 0.08 1.96 0.00 0.00 0.00 179.25 181.65 1xck h GLN 146 N 1.01 0.37 -0.62 0.00 4.20 -0.69 -0.02 115.11 119.36 1xck h GLN 146 Ca 0.19 -0.07 -0.04 0.00 0.06 0.00 0.00 58.65 58.79 1xck h GLN 146 Cb 0.47 -0.06 -0.03 0.00 0.30 0.00 0.00 27.48 28.16 1xck h GLN 146 CO 0.02 0.43 0.22 0.28 -0.67 0.00 0.00 178.83 179.11 1xck h VAL 147 N 0.22 1.23 -0.10 -0.54 2.07 -1.01 -0.81 116.25 117.31 1xck h VAL 147 Ca 0.08 -0.75 -0.12 0.00 0.82 0.00 0.00 66.70 66.72 1xck h VAL 147 Cb 0.22 0.51 -0.01 0.00 -1.52 0.00 0.00 31.29 30.49 1xck h VAL 147 CO -0.00 0.29 -0.49 1.23 0.02 0.00 0.00 177.57 178.62 1xck h GLY 148 N 1.02 0.27 0.92 2.17 0.00 -1.06 -1.26 103.07 105.12 1xck h GLY 148 Ca 0.21 -0.28 -0.07 0.00 0.00 0.00 0.00 47.33 47.18 1xck h GLY 148 CO -0.01 0.25 -0.09 -0.84 0.00 0.00 0.00 176.54 175.85 1xck h THR 149 N 0.20 1.28 -0.54 4.70 2.02 -0.27 -1.84 112.91 118.46 1xck h THR 149 Ca 0.01 -1.14 -0.10 0.00 0.77 0.00 0.00 66.41 65.95 1xck h THR 149 Cb 0.93 1.35 -0.02 0.00 -1.74 0.00 0.00 68.15 68.68 1xck h THR 149 CO 0.08 0.37 -0.04 0.40 0.37 0.00 0.00 175.52 176.70 1xck h ILE 150 N 0.41 1.27 0.00 3.11 2.04 -1.06 0.23 117.51 123.51 1xck h ILE 150 Ca 0.08 -1.17 0.00 0.00 1.00 0.00 0.00 64.86 64.77 1xck h ILE 150 Cb 0.58 0.93 0.00 0.00 -0.74 0.00 0.00 36.82 37.59 1xck h ILE 150 CO 0.03 0.42 0.00 -1.20 0.00 0.00 0.00 178.15 177.40 1xck n SER 151 N -4.22 0.51 -1.42 1.72 7.64 -0.49 -2.35 113.62 115.00 1xck n SER 151 Ca 0.02 0.61 -0.01 0.00 1.01 0.00 0.00 58.87 60.50 1xck n SER 151 Cb 0.36 -0.72 0.26 0.00 -1.01 0.00 0.00 64.21 63.10 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 -1.70 3.99 -3.28 -0.43 0.00 -0.70 -4.21 120.51 114.17 1xck n ALA 152 Ca 0.03 -2.54 -0.17 0.00 0.00 0.00 0.00 53.44 50.77 1xck n ALA 152 Cb 0.25 -0.95 0.07 0.00 0.00 0.00 0.00 19.45 18.82 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 -0.53 -3.65 -1.09 0.00 5.15 -0.99 -3.06 115.26 111.08 1xck n ASN 153 Ca 0.33 -0.48 -0.11 0.00 -0.60 0.00 0.00 54.58 53.72 1xck n ASN 153 Cb 1.14 -4.30 -0.02 0.00 -0.53 0.00 0.00 39.78 36.07 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 -2.53 -3.86 -4.39 1.20 7.64 0.78 -4.98 113.62 107.48 1xck n SER 154 Ca -0.13 0.10 -0.45 0.00 1.01 0.00 0.00 58.87 59.40 1xck n SER 154 Cb 0.60 -2.80 -0.04 0.00 -1.01 0.00 0.00 64.21 60.96 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 -2.65 6.27 0.49 6.43 -1.08 -1.09 -4.90 116.67 120.14 1xck s ASP 155 Ca 0.00 -1.56 0.21 0.00 -0.52 0.00 0.00 52.55 50.69 1xck s ASP 155 Cb 0.00 -2.32 1.27 0.00 -1.46 0.00 0.00 42.92 40.41 1xck s ASP 155 CO 0.00 -1.10 1.99 -0.33 0.52 0.00 0.00 175.17 176.25 1xck h GLU 156 N 9.08 0.14 -0.17 4.34 5.08 -1.92 -2.19 114.58 128.94 1xck h GLU 156 Ca -0.22 -0.01 0.03 0.00 -1.00 0.00 0.00 59.36 58.17 1xck h GLU 156 Cb 1.08 -0.03 -0.03 0.00 0.50 0.00 0.00 28.75 30.26 1xck h GLU 156 CO 1.08 0.09 -0.05 1.15 -1.00 0.00 0.00 179.01 180.29 1xck h THR 157 N 0.15 0.81 -0.69 1.13 2.02 -1.97 -0.70 112.91 113.65 1xck h THR 157 Ca 0.27 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.45 1xck h THR 157 Cb 0.85 0.81 -0.03 0.00 -1.74 0.00 0.00 68.15 68.04 1xck h THR 157 CO -0.04 0.00 0.44 0.58 0.37 0.00 0.00 175.52 176.87 1xck h VAL 158 N -0.01 1.19 -0.69 3.16 2.07 -1.74 0.11 116.25 120.33 1xck h VAL 158 Ca 0.08 -0.39 -0.01 0.00 0.82 0.00 0.00 66.70 67.20 1xck h VAL 158 Cb 0.14 0.20 -0.03 0.00 -1.52 0.00 0.00 31.29 30.08 1xck h VAL 158 CO -0.18 0.19 0.39 1.23 0.02 0.00 0.00 177.57 179.23 1xck h GLY 159 N 0.94 1.01 0.94 2.17 0.00 -1.38 -0.91 103.07 105.85 1xck h GLY 159 Ca 0.25 -0.44 -0.01 0.00 0.00 0.00 0.00 47.33 47.13 1xck h GLY 159 CO -0.05 0.43 0.15 1.70 0.00 0.00 0.00 176.54 178.77 1xck h LYS 160 N 0.94 0.42 -0.02 4.80 3.64 -0.61 -1.20 116.57 124.55 1xck h LYS 160 Ca 0.24 -0.06 0.03 0.00 -1.27 0.00 0.00 60.65 59.59 1xck h LYS 160 Cb 0.01 -0.08 -0.03 0.00 -0.41 0.00 0.00 32.23 31.72 1xck h LYS 160 CO -0.04 0.39 -0.15 -0.07 -2.27 0.00 0.00 179.45 177.31 1xck h LEU 161 N 0.35 -0.43 -0.75 5.20 3.38 -0.41 -1.35 115.31 121.31 1xck h LEU 161 Ca 0.10 0.07 -0.03 0.00 0.09 0.00 0.00 57.88 58.11 1xck h LEU 161 Cb 0.10 0.18 -0.03 0.00 0.09 0.00 0.00 40.66 41.00 1xck h LEU 161 CO -0.01 -0.20 0.35 0.40 0.09 0.00 0.00 178.44 179.07 1xck h ILE 162 N -0.24 1.24 -0.63 1.22 2.04 -1.08 -1.49 117.51 118.58 1xck h ILE 162 Ca 0.05 -0.69 -0.03 0.00 1.00 0.00 0.00 64.86 65.20 1xck h ILE 162 Cb 0.31 0.31 -0.03 0.00 -0.74 0.00 0.00 36.82 36.67 1xck h ILE 162 CO -0.15 0.29 0.28 0.00 0.00 0.00 0.00 178.15 178.57 1xck h ALA 163 N 1.18 0.81 -0.43 1.87 0.00 -0.99 -0.28 119.26 121.42 1xck h ALA 163 Ca 0.26 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 1xck h ALA 163 Cb 0.13 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 1xck h ALA 163 CO -0.03 0.40 0.22 0.93 0.00 0.00 0.00 179.25 180.76 1xck h GLU 164 N 0.87 0.61 -0.13 0.00 5.08 -0.95 -1.33 114.58 118.73 1xck h GLU 164 Ca 0.21 -0.08 -0.01 0.00 -1.00 0.00 0.00 59.36 58.48 1xck h GLU 164 Cb 0.15 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.28 1xck h GLU 164 CO -0.02 0.51 0.05 0.00 -1.00 0.00 0.00 179.01 178.55 1xck h ALA 165 N 1.07 0.17 0.00 3.43 0.00 -1.00 -1.76 119.26 121.16 1xck h ALA 165 Ca 0.15 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 1xck h ALA 165 Cb 0.09 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 17.83 1xck h ALA 165 CO -0.02 -0.24 -0.04 0.52 0.00 0.00 0.00 179.25 179.47 1xck h MET 166 N 0.05 0.00 -0.34 0.00 2.86 -0.94 -1.01 114.93 115.55 1xck h MET 166 Ca 0.04 0.00 -0.17 0.00 -2.06 0.00 0.00 59.70 57.51 1xck h MET 166 Cb 0.17 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 31.83 1xck h MET 166 CO -0.00 0.04 -0.46 0.22 1.06 0.00 0.00 176.91 177.77 1xck h ASP 167 N 0.00 0.97 0.74 1.22 3.58 -0.81 0.21 116.42 122.32 1xck h ASP 167 Ca -0.00 -0.48 -0.04 0.00 0.42 0.00 0.00 57.03 56.94 1xck h ASP 167 Cb 0.07 -0.27 0.01 0.00 1.72 0.00 0.00 39.33 40.85 1xck h ASP 167 CO 0.00 1.27 -0.35 0.11 -2.88 0.00 0.00 179.24 177.39 1xck h LYS 168 N 0.71 -0.95 -0.01 0.28 1.79 -0.33 -3.31 116.57 114.74 1xck h LYS 168 Ca 0.04 0.07 0.00 0.00 -2.18 0.00 0.00 60.65 58.58 1xck h LYS 168 Cb 1.05 0.22 0.00 0.00 -1.58 0.00 0.00 32.23 31.92 1xck h LYS 168 CO 0.11 -0.64 -0.09 1.33 -1.08 0.00 0.00 179.45 179.08 1xck n VAL 169 N -5.05 0.00 0.00 0.50 0.24 -0.83 -5.06 118.33 108.12 1xck n VAL 169 Ca -0.12 -0.22 0.00 0.00 -2.04 0.00 0.00 64.34 61.96 1xck n VAL 169 Cb 0.39 0.52 0.00 0.00 -1.47 0.00 0.00 33.84 33.28 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 1.24 -1.27 0.30 7.63 0.00 0.72 -2.94 105.19 110.87 1xck n GLY 170 Ca 0.16 -1.58 0.10 0.00 0.00 0.00 0.00 46.02 44.70 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 0.13 0.00 1.61 1.57 -1.94 -0.49 116.57 117.45 1xck h LYS 171 Ca 0.00 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 1xck h LYS 171 Cb 0.00 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.28 1xck h LYS 171 CO 0.00 0.08 -0.54 0.39 -0.57 0.00 0.00 179.45 178.82 1xck n GLU 172 N -4.49 0.15 -0.67 3.15 -0.58 -1.26 -4.96 120.64 111.98 1xck n GLU 172 Ca 0.02 0.04 -0.32 0.00 -0.42 0.00 0.00 57.16 56.49 1xck n GLU 172 Cb 0.22 -1.60 0.17 0.00 -0.57 0.00 0.00 31.44 29.66 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 -2.10 3.67 0.62 0.00 -0.19 -4.98 105.19 103.63 1xck n GLY 173 Ca 0.04 -0.84 -0.38 0.00 0.00 0.00 0.00 46.02 44.85 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 -2.35 5.25 -0.12 1.61 1.01 -1.26 -4.97 120.40 119.57 1xck s VAL 174 Ca 0.59 0.57 0.02 0.00 0.00 0.00 0.00 61.98 63.17 1xck s VAL 174 Cb -0.18 -3.67 0.01 0.00 0.00 0.00 0.00 36.38 32.55 1xck s VAL 174 CO 0.66 0.29 -0.19 -0.63 0.00 0.00 0.00 175.10 175.22 1xck s ILE 175 N 1.15 1.81 0.17 2.22 1.01 -1.26 -0.37 121.20 125.93 1xck s ILE 175 Ca 0.16 -0.84 0.10 0.00 0.00 0.00 0.00 60.65 60.07 1xck s ILE 175 Cb -0.14 -1.61 -0.04 0.00 0.01 0.00 0.00 42.46 40.67 1xck s ILE 175 CO 0.07 0.50 -0.16 -0.89 0.00 0.00 0.00 174.94 174.46 1xck s THR 176 N 0.79 2.86 -0.02 2.92 2.01 0.65 -4.95 115.64 119.90 1xck s THR 176 Ca -0.09 -1.72 0.02 0.00 0.31 0.00 0.00 61.69 60.20 1xck s THR 176 Cb -0.16 -2.38 0.01 0.00 0.01 0.00 0.00 72.50 69.98 1xck s THR 176 CO 0.00 -0.05 -0.05 0.54 -0.69 0.00 0.00 174.62 174.37 1xck s VAL 177 N -1.54 0.47 0.17 3.82 0.11 -1.26 0.11 120.40 122.27 1xck s VAL 177 Ca 0.22 -0.19 -0.08 0.00 -2.93 0.00 0.00 61.98 59.00 1xck s VAL 177 Cb -0.09 -0.44 -0.01 0.00 -1.53 0.00 0.00 36.38 34.31 1xck s VAL 177 CO 0.12 0.16 0.26 -1.83 -3.33 0.00 0.00 175.10 170.49 1xck s GLU 178 N 0.24 1.17 0.42 1.54 -1.05 0.11 -4.93 118.70 116.19 1xck s GLU 178 Ca -0.03 -1.25 -0.23 0.00 -0.15 0.00 0.00 54.97 53.31 1xck s GLU 178 Cb -0.07 0.36 -0.11 0.00 -0.44 0.00 0.00 34.13 33.87 1xck s GLU 178 CO -0.00 -0.42 0.82 -0.25 0.95 0.00 0.00 175.26 176.36 1xck n ASP 179 N -0.22 0.37 -4.94 0.83 8.00 -1.26 -2.16 116.55 117.17 1xck n ASP 179 Ca -0.06 0.98 -0.25 0.00 0.71 0.00 0.00 54.79 56.18 1xck n ASP 179 Cb 0.63 -1.25 0.04 0.00 -0.02 0.00 0.00 41.12 40.52 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 -0.84 1.67 0.00 0.44 0.00 -0.58 -4.45 107.32 103.56 1xck s GLY 180 Ca 0.64 -0.96 0.22 0.00 0.00 0.00 0.00 44.72 44.62 1xck s GLY 180 CO 0.57 -0.66 1.50 -1.30 0.00 0.00 0.00 173.10 173.21 1xck n THR 181 N -2.55 0.26 0.00 0.90 -2.24 -1.26 -4.91 114.28 104.47 1xck n THR 181 Ca 0.06 -0.47 0.00 0.00 -2.27 0.00 0.00 64.05 61.37 1xck n THR 181 Cb 0.59 0.66 0.00 0.00 -2.10 0.00 0.00 70.33 69.48 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 1.26 4.37 0.26 3.38 0.00 -1.26 -5.04 105.19 108.16 1xck n GLY 182 Ca 0.17 -0.73 0.00 0.00 0.00 0.00 0.00 46.02 45.46 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 -4.50 117.00 112.23 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 -0.04 0.00 -1.87 1.96 6.02 -1.26 -4.68 117.38 117.51 1xck n GLN 184 Ca 0.00 0.00 -0.32 0.00 -0.01 0.00 0.00 57.00 56.67 1xck n GLN 184 Cb 0.00 0.00 0.02 0.00 1.02 0.00 0.00 30.24 31.28 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 5.84 0.01 1.08 1.01 -1.26 -3.66 116.67 119.69 1xck s ASP 185 Ca 0.00 1.61 0.00 0.00 0.71 0.00 0.00 52.55 54.87 1xck s ASP 185 Cb 0.00 -2.50 -0.01 0.00 1.01 0.00 0.00 42.92 41.42 1xck s ASP 185 CO 0.00 -1.13 -0.01 -1.61 0.21 0.00 0.00 175.17 172.63 1xck s GLU 186 N -4.71 0.12 -0.09 8.23 2.02 -0.73 -4.92 118.70 118.61 1xck s GLU 186 Ca 0.59 -0.17 -0.00 0.00 0.02 0.00 0.00 54.97 55.40 1xck s GLU 186 Cb -0.13 -0.02 0.02 0.00 0.10 0.00 0.00 34.13 34.10 1xck s GLU 186 CO 0.47 0.00 -0.05 -1.17 0.02 0.00 0.00 175.26 174.53 1xck s LEU 187 N -0.37 1.05 -0.01 1.80 2.96 -1.26 -0.84 118.68 122.01 1xck s LEU 187 Ca -0.04 -0.23 -0.04 0.00 -0.22 0.00 0.00 54.13 53.60 1xck s LEU 187 Cb -0.03 -0.70 0.00 0.00 0.50 0.00 0.00 46.19 45.97 1xck s LEU 187 CO -0.00 -0.13 0.09 -1.81 -1.32 0.00 0.00 176.35 173.18 1xck s ASP 188 N 1.68 -0.00 -0.18 3.68 1.01 -0.92 -4.98 116.67 116.96 1xck s ASP 188 Ca 0.03 -0.06 -0.08 0.00 0.71 0.00 0.00 52.55 53.15 1xck s ASP 188 Cb -0.13 0.19 -0.04 0.00 1.01 0.00 0.00 42.92 43.95 1xck s ASP 188 CO -0.06 -0.20 0.08 -0.69 0.21 0.00 0.00 175.17 174.51 1xck s VAL 189 N -0.71 4.98 0.35 -1.27 1.01 -1.26 -0.16 120.40 123.33 1xck s VAL 189 Ca -0.08 0.03 0.03 0.00 0.00 0.00 0.00 61.98 61.97 1xck s VAL 189 Cb -0.05 -3.24 -0.04 0.00 0.00 0.00 0.00 36.38 33.05 1xck s VAL 189 CO 0.00 0.48 0.12 0.68 0.00 0.00 0.00 175.10 176.38 1xck s VAL 190 N 0.19 0.64 0.05 2.92 -7.23 -0.13 -4.91 120.40 111.93 1xck s VAL 190 Ca 0.06 -2.00 -0.30 0.00 -1.81 0.00 0.00 61.98 57.92 1xck s VAL 190 Cb -0.12 -2.52 -0.08 0.00 0.56 0.00 0.00 36.38 34.22 1xck s VAL 190 CO -0.00 0.00 1.66 -1.61 -0.31 0.00 0.00 175.10 174.84 1xck s GLU 191 N -3.81 4.19 -0.00 4.82 0.41 -1.26 -0.87 118.70 122.18 1xck s GLU 191 Ca 0.31 2.31 -0.28 0.00 -0.41 0.00 0.00 54.97 56.90 1xck s GLU 191 Cb 0.05 -3.68 0.10 0.00 -1.78 0.00 0.00 34.13 28.81 1xck s GLU 191 CO 0.16 -0.76 1.27 0.20 -0.49 0.00 0.00 175.26 175.64 1xck s GLY 192 N 2.63 -0.13 0.15 -1.39 0.00 -1.26 -0.37 107.32 106.94 1xck s GLY 192 Ca 0.74 0.07 -0.24 0.00 0.00 0.00 0.00 44.72 45.28 1xck s GLY 192 CO 0.32 4.97 0.80 -0.29 0.00 0.00 0.00 173.10 178.90 1xck s MET 193 N -2.06 1.26 -0.07 2.90 1.75 -0.51 -4.02 119.30 118.54 1xck s MET 193 Ca 0.28 -0.60 -0.05 0.00 -1.25 0.00 0.00 55.69 54.06 1xck s MET 193 Cb -0.00 0.49 0.03 0.00 2.84 0.00 0.00 34.83 38.19 1xck s MET 193 CO -0.01 -0.57 0.18 -1.14 -0.65 0.00 0.00 175.02 172.84 1xck s GLN 194 N -3.51 0.18 0.14 4.11 0.74 -1.26 -0.47 119.66 119.59 1xck s GLN 194 Ca 0.07 0.32 0.03 0.00 0.05 0.00 0.00 55.36 55.84 1xck s GLN 194 Cb -0.02 -0.00 -0.04 0.00 1.10 0.00 0.00 33.01 34.04 1xck s GLN 194 CO -0.03 -0.08 -0.08 -0.59 -0.55 0.00 0.00 175.29 173.96 1xck s PHE 195 N 0.54 1.15 -1.38 1.67 -0.71 -0.31 -5.01 117.98 113.93 1xck s PHE 195 Ca -0.04 -0.84 -0.13 0.00 -1.04 0.00 0.00 56.93 54.89 1xck s PHE 195 Cb -0.05 -0.62 0.09 0.00 -1.21 0.00 0.00 43.02 41.23 1xck s PHE 195 CO -0.03 -0.02 2.06 -0.25 -1.34 0.00 0.00 175.22 175.64 1xck n ASP 196 N -0.16 4.38 -3.71 1.98 8.00 -1.26 -1.72 116.55 124.06 1xck n ASP 196 Ca -0.10 -2.94 -0.12 0.00 0.71 0.00 0.00 54.79 52.34 1xck n ASP 196 Cb 0.61 -1.60 -0.13 0.00 -0.02 0.00 0.00 41.12 39.98 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 2.24 0.24 0.47 -1.24 1.81 -1.19 -4.86 118.95 116.41 1xck s ARG 197 Ca 0.45 0.61 0.06 0.00 -1.72 0.00 0.00 55.73 55.13 1xck s ARG 197 Cb 0.12 -0.09 0.06 0.00 -0.45 0.00 0.00 34.95 34.59 1xck s ARG 197 CO -0.05 -0.18 0.51 0.41 -0.68 0.00 0.00 175.30 175.32 1xck n GLY 198 N 4.37 2.36 3.71 -3.53 0.00 -1.26 -0.76 105.19 110.09 1xck n GLY 198 Ca -0.23 -2.24 -0.42 0.00 0.00 0.00 0.00 46.02 43.12 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 -1.82 2.42 1.47 1.61 0.18 -0.62 -4.51 117.16 115.89 1xck n TYR 199 Ca 0.06 0.51 0.12 0.00 1.88 0.00 0.00 57.90 60.47 1xck n TYR 199 Cb 0.51 -2.45 0.70 0.00 -0.38 0.00 0.00 39.34 37.72 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 0.94 0.00 -3.64 -3.48 4.77 -0.67 -4.75 117.00 110.17 1xck n LEU 200 Ca 0.05 0.00 -0.05 0.00 -0.03 0.00 0.00 56.01 55.98 1xck n LEU 200 Cb 0.36 0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 41.38 1xck n LEU 200 CO 0.63 0.00 1.02 -0.55 -1.33 0.00 0.00 177.39 177.15 1xck s SER 201 N -2.00 -0.18 0.00 -1.43 0.15 -1.26 -5.10 113.70 103.88 1xck s SER 201 Ca 0.35 0.33 0.00 0.00 0.70 0.00 0.00 55.95 57.33 1xck s SER 201 Cb 0.16 0.33 0.00 0.00 -1.71 0.00 0.00 66.02 64.80 1xck s SER 201 CO 0.27 -0.08 0.00 -2.65 1.20 0.00 0.00 173.24 171.98 1xck n PRO 202 N 1.58 2.13 0.00 5.44 -0.02 -1.26 -3.61 135.00 139.26 1xck n PRO 202 Ca -0.10 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.38 1xck n PRO 202 Cb 0.57 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 34.05 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 -0.12 0.00 0.29 6.00 4.01 -1.26 -4.33 117.16 121.75 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 0.86 0.00 -0.31 0.00 0.00 39.34 39.89 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 -2.63 -0.72 0.04 -1.90 -3.42 116.94 108.30 1xck h PHE 204 Ca 0.00 0.00 -0.53 0.00 2.80 0.00 0.00 57.97 60.24 1xck h PHE 204 Cb 0.00 0.00 0.04 0.00 2.20 0.00 0.00 35.95 38.19 1xck h PHE 204 CO 0.00 0.00 1.04 0.42 -0.60 0.00 0.00 178.31 179.17 1xck s ILE 205 N -3.79 2.53 -0.06 -0.55 1.01 -1.26 -4.60 121.20 114.48 1xck s ILE 205 Ca -0.02 0.18 0.09 0.00 0.00 0.00 0.00 60.65 60.90 1xck s ILE 205 Cb 0.10 -3.12 0.13 0.00 0.01 0.00 0.00 42.46 39.58 1xck s ILE 205 CO 0.39 0.00 1.02 -0.46 0.00 0.00 0.00 174.94 175.89 1xck n ASN 206 N 5.06 1.42 -3.12 3.58 0.23 -0.96 -4.75 115.26 116.71 1xck n ASN 206 Ca 0.16 -2.39 -0.17 0.00 -0.53 0.00 0.00 54.58 51.65 1xck n ASN 206 Cb 0.38 -0.25 -0.01 0.00 -2.08 0.00 0.00 39.78 37.82 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 -0.74 0.98 -0.42 -3.83 4.76 -0.88 -4.88 118.16 113.15 1xck n LYS 207 Ca 0.07 -3.23 0.36 0.00 -2.87 0.00 0.00 58.31 52.64 1xck n LYS 207 Cb 0.57 -1.61 0.60 0.00 -1.84 0.00 0.00 35.03 32.75 1xck n LYS 207 CO 0.00 0.00 0.00 -0.35 -1.37 0.00 0.00 177.40 175.68 1xck n PRO 208 N 0.27 -0.03 0.01 1.97 -0.04 -1.26 -0.27 135.00 135.64 1xck n PRO 208 Ca 0.22 1.11 -0.04 0.00 -0.04 0.00 0.00 63.50 64.76 1xck n PRO 208 Cb 0.67 -2.19 -0.02 0.00 -0.04 0.00 0.00 33.50 31.92 1xck n PRO 208 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 1xck h GLU 209 N 0.00 -0.15 -0.01 0.54 3.07 -1.95 -2.31 114.58 113.77 1xck h GLU 209 Ca 0.78 0.01 0.00 0.00 -0.50 0.00 0.00 59.36 59.65 1xck h GLU 209 Cb 2.51 0.03 0.00 0.00 -0.84 0.00 0.00 28.75 30.45 1xck h GLU 209 CO -0.42 -0.10 0.00 0.25 -1.40 0.00 0.00 179.01 177.34 1xck n THR 210 N -3.21 0.01 -3.17 1.13 -2.24 -0.04 -4.92 114.28 101.84 1xck n THR 210 Ca -0.02 -0.11 -0.23 0.00 -2.27 0.00 0.00 64.05 61.42 1xck n THR 210 Cb 0.09 -0.07 0.02 0.00 -2.10 0.00 0.00 70.33 68.28 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 1.06 -0.51 3.46 3.38 0.00 0.62 -4.97 105.19 108.23 1xck n GLY 211 Ca 0.21 0.12 -0.23 0.00 0.00 0.00 0.00 46.02 46.12 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 -3.10 2.64 -0.20 4.61 0.00 -1.19 -4.61 121.76 119.91 1xck s ALA 212 Ca 0.35 -1.90 -0.08 0.00 0.00 0.00 0.00 51.96 50.33 1xck s ALA 212 Cb -0.17 -0.14 -0.04 0.00 0.00 0.00 0.00 23.12 22.77 1xck s ALA 212 CO 0.44 0.17 0.09 0.08 0.00 0.00 0.00 175.76 176.53 1xck s VAL 213 N -2.66 4.95 -0.24 0.00 1.01 -0.42 -2.07 120.40 120.98 1xck s VAL 213 Ca 0.29 0.03 0.00 0.00 0.00 0.00 0.00 61.98 62.31 1xck s VAL 213 Cb -0.02 -3.26 0.07 0.00 0.00 0.00 0.00 36.38 33.17 1xck s VAL 213 CO 0.14 0.43 -0.02 -0.70 0.00 0.00 0.00 175.10 174.94 1xck s GLU 214 N 0.60 1.42 -0.05 2.72 2.12 -1.26 -0.36 118.70 123.89 1xck s GLU 214 Ca 0.05 -0.98 0.00 0.00 0.36 0.00 0.00 54.97 54.40 1xck s GLU 214 Cb -0.13 -2.52 -0.03 0.00 0.26 0.00 0.00 34.13 31.71 1xck s GLU 214 CO 0.01 -0.66 -0.02 -0.51 -0.54 0.00 0.00 175.26 173.54 1xck s LEU 215 N 1.44 3.43 -0.12 2.70 1.43 -0.62 -4.98 118.68 121.95 1xck s LEU 215 Ca -0.03 0.04 -0.00 0.00 -1.03 0.00 0.00 54.13 53.10 1xck s LEU 215 Cb -0.19 -1.85 -0.02 0.00 0.03 0.00 0.00 46.19 44.17 1xck s LEU 215 CO -0.08 0.34 -0.11 -1.61 0.23 0.00 0.00 176.35 175.12 1xck s GLU 216 N -1.11 3.27 -1.59 1.70 2.02 -1.26 -1.82 118.70 119.91 1xck s GLU 216 Ca 0.15 -0.64 -0.11 0.00 0.02 0.00 0.00 54.97 54.39 1xck s GLU 216 Cb -0.11 -2.65 0.09 0.00 0.10 0.00 0.00 34.13 31.57 1xck s GLU 216 CO 0.05 0.31 0.63 0.43 0.02 0.00 0.00 175.26 176.70 1xck n SER 217 N 3.25 -2.10 -4.89 -0.19 7.64 0.99 -4.54 113.62 113.79 1xck n SER 217 Ca -0.18 -1.02 -0.30 0.00 1.01 0.00 0.00 58.87 58.39 1xck n SER 217 Cb 0.53 -2.83 0.04 0.00 -1.01 0.00 0.00 64.21 60.93 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 3.04 0.02 1.43 0.04 -1.20 -4.57 135.00 126.94 1xck s PRO 218 Ca 0.45 0.46 -0.06 0.00 0.04 0.00 0.00 61.00 61.88 1xck s PRO 218 Cb -0.24 -2.07 -0.05 0.00 0.04 0.00 0.00 34.50 32.18 1xck s PRO 218 CO 0.92 -0.88 0.28 -0.06 0.04 0.00 0.00 177.00 177.29 1xck s PHE 219 N -3.26 3.57 -0.21 0.56 0.08 -0.44 -3.28 117.98 115.00 1xck s PHE 219 Ca 0.57 0.57 -0.00 0.00 0.12 0.00 0.00 56.93 58.18 1xck s PHE 219 Cb -0.11 -1.99 0.02 0.00 -0.57 0.00 0.00 43.02 40.37 1xck s PHE 219 CO 0.51 0.60 -0.14 0.42 -0.10 0.00 0.00 175.22 176.51 1xck s ILE 220 N -1.33 2.43 -0.30 0.64 1.01 0.56 -0.28 121.20 123.94 1xck s ILE 220 Ca 0.29 -0.97 -0.17 0.00 0.00 0.00 0.00 60.65 59.80 1xck s ILE 220 Cb -0.13 -2.12 -0.02 0.00 0.01 0.00 0.00 42.46 40.19 1xck s ILE 220 CO 0.17 0.39 0.47 -0.22 0.00 0.00 0.00 174.94 175.75 1xck s LEU 221 N 1.30 4.17 -0.58 2.97 2.96 0.29 0.36 118.68 130.15 1xck s LEU 221 Ca 0.03 0.23 -0.09 0.00 -0.22 0.00 0.00 54.13 54.07 1xck s LEU 221 Cb -0.15 -2.56 0.15 0.00 0.50 0.00 0.00 46.19 44.14 1xck s LEU 221 CO -0.09 -0.33 0.46 -0.76 -1.32 0.00 0.00 176.35 174.31 1xck s LEU 222 N 2.26 5.84 -0.26 -0.68 1.43 -1.26 -0.94 118.68 125.06 1xck s LEU 222 Ca 0.18 -2.25 -0.04 0.00 -1.03 0.00 0.00 54.13 50.99 1xck s LEU 222 Cb -0.16 -2.03 0.01 0.00 0.03 0.00 0.00 46.19 44.05 1xck s LEU 222 CO 0.11 -0.61 -0.00 0.00 0.23 0.00 0.00 176.35 176.07 1xck s ALA 223 N 0.85 2.86 -1.12 4.21 0.00 -0.78 -0.03 121.76 127.75 1xck s ALA 223 Ca 0.10 -1.41 -0.19 0.00 0.00 0.00 0.00 51.96 50.46 1xck s ALA 223 Cb -0.22 -1.87 0.09 0.00 0.00 0.00 0.00 23.12 21.12 1xck s ALA 223 CO -0.03 -0.79 1.47 0.34 0.00 0.00 0.00 175.76 176.75 1xck s ASP 224 N 1.42 6.73 0.00 0.00 2.15 -0.91 -3.10 116.67 122.96 1xck s ASP 224 Ca 0.02 -2.14 0.00 0.00 0.43 0.00 0.00 52.55 50.87 1xck s ASP 224 Cb -0.16 -2.51 0.00 0.00 -0.30 0.00 0.00 42.92 39.95 1xck s ASP 224 CO -0.02 -1.19 0.00 2.29 -0.17 0.00 0.00 175.17 176.09 1xck n LYS 225 N 7.72 -2.78 -3.99 4.34 2.85 -1.26 -3.78 118.16 121.26 1xck n LYS 225 Ca 0.37 0.00 -0.35 0.00 -1.05 0.00 0.00 58.31 57.28 1xck n LYS 225 Cb 0.48 0.00 -0.09 0.00 -0.65 0.00 0.00 35.03 34.76 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 3.91 -0.35 -1.58 1.02 -1.26 -0.16 119.74 119.32 1xck s LYS 226 Ca 0.00 -0.32 -0.12 0.00 0.02 0.00 0.00 55.97 55.56 1xck s LYS 226 Cb 0.00 -3.21 0.01 0.00 -0.52 0.00 0.00 37.83 34.11 1xck s LYS 226 CO 0.00 0.34 0.21 0.42 -0.92 0.00 0.00 175.35 175.40 1xck s ILE 227 N 0.19 4.82 -0.19 2.17 1.01 -0.03 -4.91 121.20 124.27 1xck s ILE 227 Ca 0.05 -0.58 0.07 0.00 0.00 0.00 0.00 60.65 60.19 1xck s ILE 227 Cb -0.12 -3.58 -0.09 0.00 0.01 0.00 0.00 42.46 38.68 1xck s ILE 227 CO 0.00 -0.12 0.23 -1.20 0.00 0.00 0.00 174.94 173.85 1xck n SER 228 N 5.04 1.61 -3.83 3.58 7.64 -1.26 -0.52 113.62 125.88 1xck n SER 228 Ca -0.12 -0.38 -0.23 0.00 1.01 0.00 0.00 58.87 59.14 1xck n SER 228 Cb 0.48 1.13 -0.17 0.00 -1.01 0.00 0.00 64.21 64.64 1xck n SER 228 CO 0.00 0.00 0.00 0.20 -3.01 0.00 0.00 175.04 172.23 1xck s ASN 229 N -2.12 1.53 0.00 6.43 0.01 -1.26 -1.78 114.94 117.76 1xck s ASN 229 Ca 0.00 -0.14 0.04 0.00 -0.71 0.00 0.00 52.86 52.05 1xck s ASN 229 Cb 0.05 -0.53 0.24 0.00 0.41 0.00 0.00 41.25 41.42 1xck s ASN 229 CO 0.28 -0.14 0.61 0.00 -1.51 0.00 0.00 177.10 176.34 1xck n ILE 230 N 4.78 0.00 -0.01 0.60 3.06 -1.26 -2.79 119.36 123.74 1xck n ILE 230 Ca -0.13 0.00 -0.05 0.00 -2.50 0.00 0.00 62.75 60.07 1xck n ILE 230 Cb 0.50 -0.72 0.17 0.00 0.54 0.00 0.00 39.64 40.13 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 0.54 0.00 9.51 2.43 -1.99 -2.64 114.38 122.24 1xck h ARG 231 Ca 0.00 -0.22 -0.11 0.00 -0.81 0.00 0.00 59.98 58.85 1xck h ARG 231 Cb 0.00 -0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 29.51 1xck h ARG 231 CO 0.00 0.76 -0.51 0.93 -1.51 0.00 0.00 179.97 179.64 1xck h GLU 232 N 0.48 0.00 -0.10 0.20 5.08 -1.93 -3.30 114.58 115.00 1xck h GLU 232 Ca 0.07 0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 58.37 1xck h GLU 232 Cb 0.71 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.96 1xck h GLU 232 CO 0.05 0.51 -0.15 0.52 -1.00 0.00 0.00 179.01 178.95 1xck h MET 233 N 0.00 0.29 -0.30 2.33 2.86 -1.69 -3.30 114.93 115.11 1xck h MET 233 Ca -0.01 -0.17 0.03 0.00 -2.06 0.00 0.00 59.70 57.50 1xck h MET 233 Cb 1.04 0.02 -0.04 0.00 0.06 0.00 0.00 31.60 32.67 1xck h MET 233 CO 0.07 0.74 -0.16 1.28 1.06 0.00 0.00 176.91 179.90 1xck n LEU 234 N -4.58 -0.28 -0.16 1.22 4.77 -1.02 0.57 117.00 117.51 1xck n LEU 234 Ca -0.07 0.54 -0.03 0.00 -0.03 0.00 0.00 56.01 56.42 1xck n LEU 234 Cb 0.37 -0.09 0.06 0.00 -2.33 0.00 0.00 43.42 41.44 1xck n LEU 234 CO 0.39 -0.45 0.96 1.55 -1.33 0.00 0.00 177.39 178.51 1xck h PRO 235 N 0.00 0.35 -0.24 3.23 0.13 -1.82 -1.14 132.00 132.50 1xck h PRO 235 Ca 0.07 -0.02 -0.17 0.00 -0.87 0.00 0.00 66.00 65.00 1xck h PRO 235 Cb 0.14 -0.08 -0.00 0.00 0.13 0.00 0.00 31.00 31.19 1xck h PRO 235 CO -0.29 0.23 -0.55 0.28 -0.23 0.00 0.00 178.00 177.44 1xck h VAL 236 N 0.36 1.30 0.00 1.56 2.07 -0.10 -2.90 116.25 118.53 1xck h VAL 236 Ca 0.24 -1.76 -0.03 0.00 0.82 0.00 0.00 66.70 65.96 1xck h VAL 236 Cb 0.25 1.70 -0.00 0.00 -1.52 0.00 0.00 31.29 31.71 1xck h VAL 236 CO -0.24 0.56 -0.16 -0.07 0.02 0.00 0.00 177.57 177.68 1xck h LEU 237 N 0.55 0.00 0.00 2.57 3.38 -0.46 -2.25 115.31 119.10 1xck h LEU 237 Ca 0.01 0.00 -0.19 0.00 0.09 0.00 0.00 57.88 57.79 1xck h LEU 237 Cb 1.13 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.85 1xck h LEU 237 CO 0.11 0.16 -1.10 -0.33 0.09 0.00 0.00 178.44 177.37 1xck h GLU 238 N 0.00 0.00 -0.07 1.13 5.08 -1.14 -2.09 114.58 117.48 1xck h GLU 238 Ca -0.00 0.00 -0.14 0.00 -1.00 0.00 0.00 59.36 58.22 1xck h GLU 238 Cb 0.39 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.63 1xck h GLU 238 CO 0.02 0.63 -0.57 0.00 -1.00 0.00 0.00 179.01 178.10 1xck h ALA 239 N 1.21 0.91 0.00 3.43 0.00 -1.26 -2.45 119.26 121.10 1xck h ALA 239 Ca -0.10 -0.52 -0.14 0.00 0.00 0.00 0.00 54.91 54.16 1xck h ALA 239 Cb 1.69 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 19.37 1xck h ALA 239 CO 0.09 0.70 -0.66 0.28 0.00 0.00 0.00 179.25 179.66 1xck h VAL 240 N 0.17 1.14 -0.64 0.00 2.07 -1.46 -3.18 116.25 114.36 1xck h VAL 240 Ca -0.00 -2.58 -0.07 0.00 0.82 0.00 0.00 66.70 64.87 1xck h VAL 240 Cb 1.05 2.54 -0.03 0.00 -1.52 0.00 0.00 31.29 33.34 1xck h VAL 240 CO 0.09 0.65 0.14 0.00 0.02 0.00 0.00 177.57 178.47 1xck h ALA 241 N 1.34 0.85 -2.32 1.67 0.00 -0.95 -3.22 119.26 116.62 1xck h ALA 241 Ca -0.01 -0.24 -0.46 0.00 0.00 0.00 0.00 54.91 54.20 1xck h ALA 241 Cb 1.49 -0.24 0.14 0.00 0.00 0.00 0.00 17.79 19.17 1xck h ALA 241 CO 0.09 0.57 0.39 0.15 0.00 0.00 0.00 179.25 180.44 1xck s LYS 242 N -5.29 1.13 0.00 0.00 1.02 -0.96 -3.25 119.74 112.39 1xck s LYS 242 Ca -0.12 -0.09 0.00 0.00 0.02 0.00 0.00 55.97 55.77 1xck s LYS 242 Cb 0.14 -1.87 0.00 0.00 -0.52 0.00 0.00 37.83 35.57 1xck s LYS 242 CO 0.83 -2.13 0.00 0.00 -0.92 0.00 0.00 175.35 173.13 1xck n ALA 243 N -3.64 0.00 -3.08 5.17 0.00 -1.26 -4.28 120.51 113.41 1xck n ALA 243 Ca 0.11 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.42 1xck n ALA 243 Cb 0.60 0.00 0.05 0.00 0.00 0.00 0.00 19.45 20.10 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 0.06 3.45 0.00 0.00 -1.20 -5.06 105.19 102.44 1xck n GLY 244 Ca 0.00 -0.14 -0.26 0.00 0.00 0.00 0.00 46.02 45.63 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 -5.59 1.60 0.98 1.61 1.02 -1.22 -5.09 119.74 113.05 1xck s LYS 245 Ca 0.28 -1.62 -0.13 0.00 0.02 0.00 0.00 55.97 54.52 1xck s LYS 245 Cb -0.12 -1.82 0.17 0.00 -0.52 0.00 0.00 37.83 35.54 1xck s LYS 245 CO 0.42 0.37 1.13 -1.25 -0.92 0.00 0.00 175.35 175.10 1xck s PRO 246 N -3.03 0.61 -0.02 -1.68 0.04 -1.26 -4.76 135.00 124.90 1xck s PRO 246 Ca 0.25 0.28 0.01 0.00 0.04 0.00 0.00 61.00 61.58 1xck s PRO 246 Cb -0.07 -1.78 0.01 0.00 0.04 0.00 0.00 34.50 32.71 1xck s PRO 246 CO 0.12 -2.56 -0.02 -1.17 0.04 0.00 0.00 177.00 173.41 1xck s LEU 247 N -6.27 1.64 -0.21 -3.56 2.96 0.07 -1.33 118.68 111.99 1xck s LEU 247 Ca 0.66 -0.06 -0.05 0.00 -0.22 0.00 0.00 54.13 54.45 1xck s LEU 247 Cb -0.15 -0.23 -0.02 0.00 0.50 0.00 0.00 46.19 46.29 1xck s LEU 247 CO 0.55 -0.02 0.01 -0.22 -1.32 0.00 0.00 176.35 175.35 1xck s LEU 248 N 0.40 3.26 -0.28 -0.68 2.96 0.62 -1.40 118.68 123.56 1xck s LEU 248 Ca -0.04 -0.21 -0.10 0.00 -0.22 0.00 0.00 54.13 53.55 1xck s LEU 248 Cb -0.07 -1.83 -0.04 0.00 0.50 0.00 0.00 46.19 44.74 1xck s LEU 248 CO -0.01 0.05 0.17 -0.63 -1.32 0.00 0.00 176.35 174.61 1xck s ILE 249 N 1.11 5.11 -0.44 6.68 -1.09 0.19 -0.55 121.20 132.21 1xck s ILE 249 Ca 0.03 0.08 0.04 0.00 -2.23 0.00 0.00 60.65 58.57 1xck s ILE 249 Cb -0.14 -3.44 0.12 0.00 -1.58 0.00 0.00 42.46 37.42 1xck s ILE 249 CO 0.02 0.26 0.17 -0.63 -1.23 0.00 0.00 174.94 173.52 1xck s ILE 250 N 1.73 2.52 0.47 2.92 1.01 -0.12 0.20 121.20 129.92 1xck s ILE 250 Ca 0.07 -2.85 0.03 0.00 0.00 0.00 0.00 60.65 57.90 1xck s ILE 250 Cb -0.16 -2.79 -0.03 0.00 0.01 0.00 0.00 42.46 39.49 1xck s ILE 250 CO 0.10 -0.71 0.03 0.00 0.00 0.00 0.00 174.94 174.36 1xck s ALA 251 N 0.28 3.64 0.46 9.38 0.00 -1.10 -1.87 121.76 132.55 1xck s ALA 251 Ca 0.14 -0.91 0.11 0.00 0.00 0.00 0.00 51.96 51.31 1xck s ALA 251 Cb -0.23 0.24 1.05 0.00 0.00 0.00 0.00 23.12 24.19 1xck s ALA 251 CO -0.04 -0.12 2.10 1.49 0.00 0.00 0.00 175.76 179.19 1xck h GLU 252 N 1.54 0.29 -1.09 0.00 4.81 -0.49 0.45 114.58 120.09 1xck h GLU 252 Ca -0.42 -0.02 0.32 0.00 -0.13 0.00 0.00 59.36 59.11 1xck h GLU 252 Cb 1.29 -0.07 -0.21 0.00 0.63 0.00 0.00 28.75 30.40 1xck h GLU 252 CO 0.71 0.19 0.96 0.34 -0.73 0.00 0.00 179.01 180.48 1xck s ASP 253 N -6.85 -0.03 -0.18 1.04 -1.08 -1.23 -4.35 116.67 103.99 1xck s ASP 253 Ca -0.07 0.00 -0.01 0.00 -0.52 0.00 0.00 52.55 51.95 1xck s ASP 253 Cb 0.17 0.03 0.05 0.00 -1.46 0.00 0.00 42.92 41.71 1xck s ASP 253 CO 0.70 -0.04 -0.01 -0.69 0.52 0.00 0.00 175.17 175.65 1xck s VAL 254 N -2.01 0.87 0.44 1.11 1.01 -1.26 -0.85 120.40 119.71 1xck s VAL 254 Ca 0.11 -0.64 0.07 0.00 0.00 0.00 0.00 61.98 61.52 1xck s VAL 254 Cb -0.01 -1.20 -0.03 0.00 0.00 0.00 0.00 36.38 35.13 1xck s VAL 254 CO -0.03 -0.05 0.22 -1.61 0.00 0.00 0.00 175.10 173.63 1xck s GLU 255 N 1.72 2.26 0.00 2.72 2.02 0.33 -4.63 118.70 123.11 1xck s GLU 255 Ca -0.01 -1.87 0.00 0.00 0.02 0.00 0.00 54.97 53.11 1xck s GLU 255 Cb -0.16 -2.01 0.00 0.00 0.10 0.00 0.00 34.13 32.05 1xck s GLU 255 CO -0.07 -0.21 0.00 0.41 0.02 0.00 0.00 175.26 175.41 1xck n GLY 256 N -1.34 0.00 0.40 -1.39 0.00 -1.26 -1.94 105.19 99.66 1xck n GLY 256 Ca -0.02 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.93 1xck n GLY 256 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1xck h GLU 257 N 0.00 -0.08 0.13 1.61 4.22 -1.94 0.43 114.58 118.95 1xck h GLU 257 Ca 0.00 0.01 0.01 0.00 0.08 0.00 0.00 59.36 59.46 1xck h GLU 257 Cb 0.00 0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.24 1xck h GLU 257 CO 0.00 -0.05 -0.22 0.00 -2.18 0.00 0.00 179.01 176.56 1xck h ALA 258 N 0.78 -0.39 0.09 2.92 0.00 -0.95 0.11 119.26 121.83 1xck h ALA 258 Ca 0.22 -0.04 0.01 0.00 0.00 0.00 0.00 54.91 55.10 1xck h ALA 258 Cb 0.52 0.35 -0.02 0.00 0.00 0.00 0.00 17.79 18.64 1xck h ALA 258 CO -0.87 -0.76 -0.13 1.25 0.00 0.00 0.00 179.25 178.75 1xck h LEU 259 N -0.43 -0.35 -0.58 0.00 5.85 -0.69 -0.34 115.31 118.78 1xck h LEU 259 Ca 0.02 0.04 0.12 0.00 0.84 0.00 0.00 57.88 58.90 1xck h LEU 259 Cb 0.44 0.13 -0.10 0.00 0.37 0.00 0.00 40.66 41.50 1xck h LEU 259 CO -0.11 -0.19 -0.03 0.00 -0.34 0.00 0.00 178.44 177.77 1xck h ALA 260 N 0.62 0.53 -0.57 1.25 0.00 0.06 0.22 119.26 121.37 1xck h ALA 260 Ca 0.02 0.19 -0.05 0.00 0.00 0.00 0.00 54.91 55.06 1xck h ALA 260 Cb 0.27 0.33 -0.02 0.00 0.00 0.00 0.00 17.79 18.37 1xck h ALA 260 CO -0.06 -0.40 0.17 1.15 0.00 0.00 0.00 179.25 180.11 1xck h THR 261 N 0.09 1.24 -0.10 0.00 2.02 -0.37 -2.34 112.91 113.45 1xck h THR 261 Ca 0.30 -0.83 -0.00 0.00 0.77 0.00 0.00 66.41 66.65 1xck h THR 261 Cb 0.47 0.70 -0.00 0.00 -1.74 0.00 0.00 68.15 67.58 1xck h THR 261 CO -0.51 0.31 0.06 -0.07 0.37 0.00 0.00 175.52 175.67 1xck h LEU 262 N 0.80 0.12 -1.37 2.58 3.38 0.31 -0.43 115.31 120.70 1xck h LEU 262 Ca 0.18 -0.07 0.17 0.00 0.09 0.00 0.00 57.88 58.25 1xck h LEU 262 Cb 0.30 -0.03 -0.07 0.00 0.09 0.00 0.00 40.66 40.95 1xck h LEU 262 CO -0.00 0.16 0.57 0.58 0.09 0.00 0.00 178.44 179.84 1xck h VAL 263 N 0.08 0.77 0.11 1.22 2.07 -0.48 -2.16 116.25 117.86 1xck h VAL 263 Ca 0.04 -0.20 -0.01 0.00 0.82 0.00 0.00 66.70 67.35 1xck h VAL 263 Cb 0.06 0.15 0.00 0.00 -1.52 0.00 0.00 31.29 29.98 1xck h VAL 263 CO -0.01 0.10 -0.05 0.58 0.02 0.00 0.00 177.57 178.21 1xck h VAL 264 N 0.57 0.00 -0.74 2.57 2.07 -0.91 -3.15 116.25 116.67 1xck h VAL 264 Ca 0.45 -0.50 0.15 0.00 0.82 0.00 0.00 66.70 67.62 1xck h VAL 264 Cb 0.89 0.00 -0.14 0.00 -1.52 0.00 0.00 31.29 30.52 1xck h VAL 264 CO -0.20 0.00 -0.19 0.78 0.02 0.00 0.00 177.57 177.98 1xck h ASN 265 N -0.65 -0.72 0.63 0.57 -0.26 -1.01 0.80 115.58 114.95 1xck h ASN 265 Ca -0.02 0.22 0.00 0.00 -0.56 0.00 0.00 56.30 55.95 1xck h ASN 265 Cb 0.12 0.47 0.00 0.00 -1.06 0.00 0.00 38.32 37.85 1xck h ASN 265 CO 0.03 -0.25 0.00 0.35 -1.06 0.00 0.00 177.43 176.50 1xck n THR 266 N -5.49 0.86 -0.27 2.81 -2.24 -0.82 -1.24 114.28 107.89 1xck n THR 266 Ca 0.10 0.29 0.07 0.00 -2.27 0.00 0.00 64.05 62.25 1xck n THR 266 Cb 0.38 -1.23 0.30 0.00 -2.10 0.00 0.00 70.33 67.68 1xck n THR 266 CO 0.00 0.00 0.00 0.80 -0.57 0.00 0.00 175.07 175.30 1xck n MET 267 N -2.23 3.42 -0.68 -0.78 0.00 0.28 -3.72 117.12 113.41 1xck n MET 267 Ca 0.02 -2.38 0.01 0.00 0.00 0.00 0.00 57.70 55.35 1xck n MET 267 Cb 0.20 -1.85 0.00 0.00 0.00 0.00 0.00 33.22 31.58 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 0.81 0.00 -0.83 2.12 1.74 -0.38 -4.99 116.66 115.14 1xck n ARG 268 Ca 0.21 -1.16 0.00 0.00 -0.77 0.00 0.00 57.85 56.13 1xck n ARG 268 Cb 0.81 -0.40 0.00 0.00 -1.02 0.00 0.00 32.46 31.85 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 0.09 0.09 2.58 -0.13 0.00 -1.19 -4.85 105.19 101.78 1xck n GLY 269 Ca 0.01 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.62 1xck n GLY 269 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1xck n ILE 270 N -2.08 4.53 -0.43 -0.61 5.41 -0.81 -4.73 119.36 120.65 1xck n ILE 270 Ca 0.00 -3.74 0.00 0.00 1.00 0.00 0.00 62.75 60.01 1xck n ILE 270 Cb 0.26 -2.36 0.00 0.00 -0.71 0.00 0.00 39.64 36.84 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 3.08 -1.55 -2.61 1.39 0.31 -1.26 -4.39 118.33 113.30 1xck n VAL 271 Ca 0.59 0.00 -0.43 0.00 -0.01 0.00 0.00 64.34 64.49 1xck n VAL 271 Cb 0.29 -1.63 -0.02 0.00 -0.91 0.00 0.00 33.84 31.58 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 -2.87 4.18 0.07 5.55 3.01 -1.26 -3.71 119.74 124.71 1xck s LYS 272 Ca 0.00 1.32 0.02 0.00 -1.01 0.00 0.00 55.97 56.30 1xck s LYS 272 Cb 0.00 -3.70 -0.03 0.00 -1.01 0.00 0.00 37.83 33.09 1xck s LYS 272 CO 0.00 -0.74 -0.07 0.08 0.51 0.00 0.00 175.35 175.13 1xck s VAL 273 N 3.43 0.58 -0.16 3.17 1.01 -1.26 -0.75 120.40 126.42 1xck s VAL 273 Ca 0.47 -1.54 -0.15 0.00 0.00 0.00 0.00 61.98 60.76 1xck s VAL 273 Cb -0.15 -1.18 0.04 0.00 0.00 0.00 0.00 36.38 35.08 1xck s VAL 273 CO 0.11 -0.67 0.43 0.00 0.00 0.00 0.00 175.10 174.97 1xck s ALA 274 N -2.65 -1.06 0.02 5.51 0.00 -0.50 -4.89 121.76 118.20 1xck s ALA 274 Ca 0.02 1.22 0.06 0.00 0.00 0.00 0.00 51.96 53.25 1xck s ALA 274 Cb -0.01 -0.71 -0.02 0.00 0.00 0.00 0.00 23.12 22.38 1xck s ALA 274 CO -0.03 -0.20 -0.17 0.00 0.00 0.00 0.00 175.76 175.36 1xck s ALA 275 N 0.25 1.42 0.00 0.00 0.00 -1.26 0.54 121.76 122.71 1xck s ALA 275 Ca -0.00 -0.86 -0.08 0.00 0.00 0.00 0.00 51.96 51.02 1xck s ALA 275 Cb -0.03 -0.29 0.00 0.00 0.00 0.00 0.00 23.12 22.80 1xck s ALA 275 CO 0.00 0.31 0.15 0.14 0.00 0.00 0.00 175.76 176.37 1xck s VAL 276 N -0.68 0.08 0.62 0.00 -7.23 0.13 -1.67 120.40 111.66 1xck s VAL 276 Ca 0.05 -0.68 -0.18 0.00 -1.81 0.00 0.00 61.98 59.37 1xck s VAL 276 Cb -0.08 -0.45 -0.02 0.00 0.56 0.00 0.00 36.38 36.39 1xck s VAL 276 CO 0.01 -0.37 1.20 -0.54 -0.31 0.00 0.00 175.10 175.08 1xck s LYS 277 N -1.39 2.84 0.64 4.82 1.02 -1.26 -2.71 119.74 123.71 1xck s LYS 277 Ca -0.15 1.77 -0.16 0.00 0.02 0.00 0.00 55.97 57.45 1xck s LYS 277 Cb -0.07 -1.92 -0.01 0.00 -0.52 0.00 0.00 37.83 35.31 1xck s LYS 277 CO 0.02 -1.29 1.14 0.00 -0.92 0.00 0.00 175.35 174.30 1xck s ALA 278 N -1.73 2.46 0.34 5.17 0.00 0.16 -4.77 121.76 123.39 1xck s ALA 278 Ca 0.76 0.71 -0.27 0.00 0.00 0.00 0.00 51.96 53.16 1xck s ALA 278 Cb -0.29 -3.37 -0.09 0.00 0.00 0.00 0.00 23.12 19.37 1xck s ALA 278 CO 0.35 -1.27 1.12 -1.25 0.00 0.00 0.00 175.76 174.72 1xck s PRO 279 N -3.81 4.36 2.14 0.00 0.04 -1.26 -4.87 135.00 131.60 1xck s PRO 279 Ca 0.71 1.79 0.00 0.00 0.04 0.00 0.00 61.00 63.53 1xck s PRO 279 Cb -0.24 -2.91 0.00 0.00 0.04 0.00 0.00 34.50 31.39 1xck s PRO 279 CO 0.38 -0.03 0.00 0.41 0.04 0.00 0.00 177.00 177.80 1xck n GLY 280 N 0.84 -0.86 3.55 0.56 0.00 -1.26 -4.43 105.19 103.58 1xck n GLY 280 Ca 0.02 -1.17 -0.14 0.00 0.00 0.00 0.00 46.02 44.73 1xck n GLY 280 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1xck s PHE 281 N 0.00 0.93 0.00 1.61 -0.71 -1.26 -4.83 117.98 113.72 1xck s PHE 281 Ca 0.00 -1.24 0.00 0.00 -1.04 0.00 0.00 56.93 54.65 1xck s PHE 281 Cb 0.00 0.08 0.00 0.00 -1.21 0.00 0.00 43.02 41.89 1xck s PHE 281 CO 0.00 -1.23 0.00 0.41 -1.34 0.00 0.00 175.22 173.06 1xck n GLY 282 N -0.57 1.69 0.17 1.99 0.00 -1.26 -2.25 105.19 104.96 1xck n GLY 282 Ca -0.01 -0.51 -0.12 0.00 0.00 0.00 0.00 46.02 45.38 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 8.77 0.50 0.12 1.61 3.32 -2.01 -2.86 116.42 125.86 1xck h ASP 283 Ca 0.00 -0.39 0.00 0.00 0.02 0.00 0.00 57.03 56.66 1xck h ASP 283 Cb 0.00 -0.14 0.00 0.00 0.22 0.00 0.00 39.33 39.41 1xck h ASP 283 CO 0.00 0.77 0.00 0.08 -1.72 0.00 0.00 179.24 178.37 1xck h ARG 284 N 0.22 0.00 -0.00 3.56 0.11 -1.97 0.53 114.38 116.83 1xck h ARG 284 Ca 0.06 0.00 -0.14 0.00 0.10 0.00 0.00 59.98 60.00 1xck h ARG 284 Cb 0.57 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 31.63 1xck h ARG 284 CO 0.03 0.00 -0.67 -0.09 0.10 0.00 0.00 179.97 179.34 1xck h ARG 285 N 0.00 0.02 0.00 0.08 2.43 -1.21 -2.05 114.38 113.66 1xck h ARG 285 Ca 0.00 -0.02 -0.15 0.00 -0.81 0.00 0.00 59.98 59.00 1xck h ARG 285 Cb 0.06 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 29.59 1xck h ARG 285 CO 0.00 0.68 -0.71 0.87 -1.51 0.00 0.00 179.97 179.31 1xck h LYS 286 N 0.01 0.00 -0.01 0.20 1.57 -0.96 -2.42 116.57 114.96 1xck h LYS 286 Ca -0.01 0.00 -0.24 0.00 -1.87 0.00 0.00 60.65 58.53 1xck h LYS 286 Cb 1.19 0.00 0.01 0.00 0.08 0.00 0.00 32.23 33.51 1xck h LYS 286 CO 0.09 0.71 -0.96 0.00 -0.57 0.00 0.00 179.45 178.71 1xck h ALA 287 N 1.29 0.29 -0.26 3.86 0.00 -1.30 -3.14 119.26 120.01 1xck h ALA 287 Ca -0.01 -0.70 -0.17 0.00 0.00 0.00 0.00 54.91 54.04 1xck h ALA 287 Cb 1.47 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 19.26 1xck h ALA 287 CO 0.09 0.77 -0.51 0.52 0.00 0.00 0.00 179.25 180.12 1xck h MET 288 N 0.30 0.74 -1.00 0.00 2.86 -1.39 -2.20 114.93 114.23 1xck h MET 288 Ca -0.09 -0.44 0.12 0.00 -2.06 0.00 0.00 59.70 57.22 1xck h MET 288 Cb 1.60 0.04 -0.08 0.00 0.06 0.00 0.00 31.60 33.22 1xck h MET 288 CO 0.18 1.07 0.63 -0.07 1.06 0.00 0.00 176.91 179.78 1xck h LEU 289 N 0.58 0.93 -0.44 1.22 3.38 -1.46 -0.03 115.31 119.49 1xck h LEU 289 Ca 0.02 0.05 -0.10 0.00 0.09 0.00 0.00 57.88 57.94 1xck h LEU 289 Cb 1.08 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.67 1xck h LEU 289 CO 0.11 0.50 -0.11 -0.61 0.09 0.00 0.00 178.44 178.42 1xck h GLN 290 N 1.00 0.85 -0.54 1.13 5.75 -1.45 -1.47 115.11 120.38 1xck h GLN 290 Ca 0.49 -0.33 0.07 0.00 -0.15 0.00 0.00 58.65 58.74 1xck h GLN 290 Cb 0.48 -0.05 -0.06 0.00 1.07 0.00 0.00 27.48 28.92 1xck h GLN 290 CO -0.26 0.96 0.22 -0.44 -2.65 0.00 0.00 178.83 176.66 1xck h ASP 291 N 0.68 0.25 0.01 -0.69 3.32 -0.42 0.20 116.42 119.77 1xck h ASP 291 Ca 0.11 0.06 -0.00 0.00 0.02 0.00 0.00 57.03 57.22 1xck h ASP 291 Cb 0.65 0.03 0.00 0.00 0.22 0.00 0.00 39.33 40.22 1xck h ASP 291 CO 0.04 0.17 -0.00 0.40 -1.72 0.00 0.00 179.24 178.13 1xck h ILE 292 N 0.41 1.00 -0.16 0.35 2.04 -1.05 -0.84 117.51 119.25 1xck h ILE 292 Ca 0.26 -0.01 0.03 0.00 1.00 0.00 0.00 64.86 66.14 1xck h ILE 292 Cb 0.26 1.00 -0.07 0.00 -0.74 0.00 0.00 36.82 37.28 1xck h ILE 292 CO -0.24 0.00 -0.54 0.00 0.00 0.00 0.00 178.15 177.37 1xck h ALA 293 N 0.98 -0.86 -0.54 1.87 0.00 -0.12 0.24 119.26 120.83 1xck h ALA 293 Ca -0.00 -0.05 0.11 0.00 0.00 0.00 0.00 54.91 54.97 1xck h ALA 293 Cb 0.01 1.00 -0.10 0.00 0.00 0.00 0.00 17.79 18.71 1xck h ALA 293 CO 0.00 -1.08 -0.09 1.15 0.00 0.00 0.00 179.25 179.23 1xck h THR 294 N -0.56 0.49 -0.73 0.00 2.02 -0.45 0.63 112.91 114.31 1xck h THR 294 Ca 0.04 -0.01 0.04 0.00 0.77 0.00 0.00 66.41 67.24 1xck h THR 294 Cb 0.67 0.45 -0.04 0.00 -1.74 0.00 0.00 68.15 67.49 1xck h THR 294 CO -0.45 0.01 0.48 0.25 0.37 0.00 0.00 175.52 176.18 1xck h LEU 295 N 0.04 0.76 -2.12 2.58 7.12 0.12 -2.50 115.31 121.31 1xck h LEU 295 Ca 0.27 -0.01 0.00 0.00 0.13 0.00 0.00 57.88 58.27 1xck h LEU 295 Cb 0.42 -0.17 0.00 0.00 -0.53 0.00 0.00 40.66 40.37 1xck h LEU 295 CO -0.53 0.52 0.00 0.35 -0.13 0.00 0.00 178.44 178.65 1xck n THR 296 N -4.46 0.26 -2.72 1.05 -2.24 0.74 -1.70 114.28 105.21 1xck n THR 296 Ca 0.09 -0.63 -0.18 0.00 -2.27 0.00 0.00 64.05 61.06 1xck n THR 296 Cb 0.13 1.22 0.02 0.00 -2.10 0.00 0.00 70.33 69.60 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 1.37 -0.33 1.29 3.38 0.00 0.21 -0.70 105.19 110.41 1xck n GLY 297 Ca 0.16 -0.06 -0.09 0.00 0.00 0.00 0.00 46.02 46.03 1xck n GLY 297 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xck n GLY 298 N -1.28 2.83 2.95 -0.02 0.00 -0.27 -4.61 105.19 104.79 1xck n GLY 298 Ca -0.13 -2.21 -0.23 0.00 0.00 0.00 0.00 46.02 43.46 1xck n GLY 298 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1xck s THR 299 N -0.83 0.84 0.19 2.61 2.01 0.26 -4.50 115.64 116.23 1xck s THR 299 Ca 0.12 -0.30 -0.30 0.00 0.31 0.00 0.00 61.69 61.52 1xck s THR 299 Cb -0.01 -0.81 -0.08 0.00 0.01 0.00 0.00 72.50 71.61 1xck s THR 299 CO 0.07 0.29 1.15 -0.69 -0.69 0.00 0.00 174.62 174.76 1xck s VAL 300 N 0.86 3.70 -0.96 3.82 1.01 -1.26 -4.51 120.40 123.05 1xck s VAL 300 Ca -0.12 1.46 -0.09 0.00 0.00 0.00 0.00 61.98 63.24 1xck s VAL 300 Cb -0.15 -3.93 0.24 0.00 0.00 0.00 0.00 36.38 32.54 1xck s VAL 300 CO 0.01 0.25 0.91 -0.63 0.00 0.00 0.00 175.10 175.64 1xck s ILE 301 N -0.21 5.43 -0.13 2.22 1.01 0.96 -4.96 121.20 125.52 1xck s ILE 301 Ca 0.51 -3.21 -0.14 0.00 0.00 0.00 0.00 60.65 57.80 1xck s ILE 301 Cb -0.31 -4.32 -0.05 0.00 0.01 0.00 0.00 42.46 37.80 1xck s ILE 301 CO 0.36 -1.10 0.32 -0.94 0.00 0.00 0.00 174.94 173.58 1xck s SER 302 N 1.23 6.50 0.30 3.58 1.04 -1.26 -2.13 113.70 122.96 1xck s SER 302 Ca 0.26 0.59 0.01 0.00 0.48 0.00 0.00 55.95 57.29 1xck s SER 302 Cb -0.10 -2.19 0.47 0.00 0.10 0.00 0.00 66.02 64.29 1xck s SER 302 CO -0.09 0.13 1.83 -0.33 0.98 0.00 0.00 173.24 175.76 1xck h GLU 303 N 6.34 0.67 -0.47 4.02 5.08 -1.74 -2.51 114.58 125.97 1xck h GLU 303 Ca -0.43 -0.15 0.08 0.00 -1.00 0.00 0.00 59.36 57.85 1xck h GLU 303 Cb 1.18 -0.09 -0.10 0.00 0.50 0.00 0.00 28.75 30.24 1xck h GLU 303 CO 0.73 0.67 -0.40 0.93 -1.00 0.00 0.00 179.01 179.94 1xck h GLU 304 N 0.64 -0.26 0.00 2.33 5.08 -1.90 1.03 114.58 121.50 1xck h GLU 304 Ca 0.13 0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.51 1xck h GLU 304 Cb 0.36 0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.67 1xck h GLU 304 CO 0.01 -0.17 0.00 -0.89 -1.00 0.00 0.00 179.01 176.96 1xck n ILE 305 N -5.42 0.83 -0.96 3.13 5.41 -1.17 -4.84 119.36 116.35 1xck n ILE 305 Ca 0.01 0.21 0.00 0.00 1.00 0.00 0.00 62.75 63.97 1xck n ILE 305 Cb 0.35 -1.02 0.00 0.00 -0.71 0.00 0.00 39.64 38.26 1xck n ILE 305 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1xck n GLY 306 N -0.33 1.00 3.85 7.39 0.00 0.36 -5.08 105.19 112.37 1xck n GLY 306 Ca 0.05 -0.52 -0.34 0.00 0.00 0.00 0.00 46.02 45.21 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 -2.26 3.96 0.01 1.61 -1.94 -0.95 -4.99 119.30 114.73 1xck s MET 307 Ca 0.00 0.47 0.07 0.00 -1.71 0.00 0.00 55.69 54.53 1xck s MET 307 Cb 0.00 -2.84 -0.03 0.00 2.01 0.00 0.00 34.83 33.97 1xck s MET 307 CO 0.00 0.42 -0.22 -1.21 -0.01 0.00 0.00 175.02 174.00 1xck s GLU 308 N -2.20 2.08 0.42 2.03 2.02 -1.26 -4.24 118.70 117.55 1xck s GLU 308 Ca 0.41 -0.95 0.13 0.00 0.02 0.00 0.00 54.97 54.57 1xck s GLU 308 Cb -0.14 -2.11 0.89 0.00 0.10 0.00 0.00 34.13 32.87 1xck s GLU 308 CO 0.20 0.55 1.94 -0.07 0.02 0.00 0.00 175.26 177.90 1xck h LEU 309 N 5.05 0.06 -1.02 1.80 3.38 -1.93 -2.40 115.31 120.24 1xck h LEU 309 Ca -0.46 -0.01 -0.04 0.00 0.09 0.00 0.00 57.88 57.46 1xck h LEU 309 Cb 1.14 -0.02 -0.03 0.00 0.09 0.00 0.00 40.66 41.84 1xck h LEU 309 CO 0.47 0.27 0.25 -0.33 0.09 0.00 0.00 178.44 179.18 1xck h GLU 310 N 0.06 0.95 -0.85 1.13 3.07 -1.94 -2.06 114.58 114.94 1xck h GLU 310 Ca 0.01 -0.16 -0.02 0.00 -0.50 0.00 0.00 59.36 58.69 1xck h GLU 310 Cb 0.40 -0.16 -0.01 0.00 -0.84 0.00 0.00 28.75 28.14 1xck h GLU 310 CO 0.03 0.78 0.02 1.63 -1.40 0.00 0.00 179.01 180.07 1xck n LYS 311 N -4.30 2.42 -3.25 2.33 5.02 -0.91 -4.78 118.16 114.69 1xck n LYS 311 Ca 0.06 -1.21 -0.39 0.00 -2.02 0.00 0.00 58.31 54.75 1xck n LYS 311 Cb 0.18 -1.77 -0.06 0.00 -0.02 0.00 0.00 35.03 33.36 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 -1.65 3.52 0.30 7.82 0.00 -0.77 -4.95 121.76 126.04 1xck s ALA 312 Ca 0.21 -0.34 0.07 0.00 0.00 0.00 0.00 51.96 51.90 1xck s ALA 312 Cb 0.16 -2.79 -0.03 0.00 0.00 0.00 0.00 23.12 20.46 1xck s ALA 312 CO 0.06 -0.35 0.30 0.95 0.00 0.00 0.00 175.76 176.73 1xck s THR 313 N 1.42 4.03 0.59 0.00 -4.23 -1.26 -4.46 115.64 111.73 1xck s THR 313 Ca 0.25 -1.28 0.29 0.00 -1.18 0.00 0.00 61.69 59.77 1xck s THR 313 Cb -0.15 -3.35 0.39 0.00 1.34 0.00 0.00 72.50 70.73 1xck s THR 313 CO 0.10 -0.23 1.86 -0.07 -0.54 0.00 0.00 174.62 175.74 1xck h LEU 314 N 1.24 0.00 -0.64 4.79 3.38 -1.94 0.17 115.31 122.32 1xck h LEU 314 Ca -0.47 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.45 1xck h LEU 314 Cb 1.25 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.99 1xck h LEU 314 CO 0.58 0.00 -0.24 -0.08 0.09 0.00 0.00 178.44 178.79 1xck h GLU 315 N 0.00 0.00 0.00 1.13 4.81 -2.00 -2.94 114.58 115.58 1xck h GLU 315 Ca 0.24 0.00 -0.10 0.00 -0.13 0.00 0.00 59.36 59.37 1xck h GLU 315 Cb 1.31 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.67 1xck h GLU 315 CO -0.00 0.24 -0.49 -0.44 -0.73 0.00 0.00 179.01 177.58 1xck h ASP 316 N 0.00 0.00 -4.04 1.04 3.32 -1.02 -3.43 116.42 112.29 1xck h ASP 316 Ca -0.00 0.00 -0.52 0.00 0.02 0.00 0.00 57.03 56.52 1xck h ASP 316 Cb 0.95 0.00 0.10 0.00 0.22 0.00 0.00 39.33 40.59 1xck h ASP 316 CO 0.03 0.49 0.52 -0.76 -1.72 0.00 0.00 179.24 177.80 1xck s LEU 317 N -7.27 3.86 0.79 1.55 1.02 -1.11 0.92 118.68 118.45 1xck s LEU 317 Ca -0.00 2.46 -0.03 0.00 0.02 0.00 0.00 54.13 56.57 1xck s LEU 317 Cb 0.12 -4.36 0.16 0.00 0.02 0.00 0.00 46.19 42.13 1xck s LEU 317 CO 0.72 -1.30 1.09 -0.83 0.02 0.00 0.00 176.35 176.05 1xck s GLY 318 N -1.32 1.76 -0.14 -3.19 0.00 0.16 -4.33 107.32 100.25 1xck s GLY 318 Ca 0.70 -1.79 -0.27 0.00 0.00 0.00 0.00 44.72 43.35 1xck s GLY 318 CO 0.38 -1.13 0.67 1.62 0.00 0.00 0.00 173.10 174.64 1xck s GLN 319 N -5.32 0.93 0.03 2.90 0.74 0.13 -0.32 119.66 118.74 1xck s GLN 319 Ca 0.70 0.56 -0.20 0.00 0.05 0.00 0.00 55.36 56.47 1xck s GLN 319 Cb -0.04 0.44 0.04 0.00 1.10 0.00 0.00 33.01 34.56 1xck s GLN 319 CO 0.47 -0.22 0.44 0.00 -0.55 0.00 0.00 175.29 175.43 1xck s ALA 320 N -0.48 -1.10 0.45 1.58 0.00 -1.20 -1.70 121.76 119.31 1xck s ALA 320 Ca -0.06 0.44 0.17 0.00 0.00 0.00 0.00 51.96 52.51 1xck s ALA 320 Cb -0.02 0.30 1.10 0.00 0.00 0.00 0.00 23.12 24.49 1xck s ALA 320 CO 0.06 -0.44 2.02 0.87 0.00 0.00 0.00 175.76 178.27 1xck h LYS 321 N 3.07 0.00 -1.94 0.00 1.57 -1.11 -3.17 116.57 114.99 1xck h LYS 321 Ca -0.31 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.45 1xck h LYS 321 Cb 1.20 0.00 -0.20 0.00 0.08 0.00 0.00 32.23 33.31 1xck h LYS 321 CO 0.42 0.16 0.27 0.50 -0.57 0.00 0.00 179.45 180.24 1xck s ARG 322 N -4.60 0.96 -0.03 3.15 3.52 -0.97 -0.01 118.95 120.98 1xck s ARG 322 Ca -0.04 0.20 -0.02 0.00 -0.13 0.00 0.00 55.73 55.75 1xck s ARG 322 Cb 0.15 0.45 0.02 0.00 -1.56 0.00 0.00 34.95 34.02 1xck s ARG 322 CO 0.68 -0.31 0.07 0.14 -0.81 0.00 0.00 175.30 175.07 1xck s VAL 323 N -1.28 -0.02 -0.09 7.11 -7.23 -0.75 -0.03 120.40 118.11 1xck s VAL 323 Ca -0.08 0.08 0.04 0.00 -1.81 0.00 0.00 61.98 60.21 1xck s VAL 323 Cb -0.00 -0.12 0.00 0.00 0.56 0.00 0.00 36.38 36.81 1xck s VAL 323 CO 0.07 0.03 -0.23 -0.69 -0.31 0.00 0.00 175.10 173.98 1xck s VAL 324 N 0.49 1.95 -0.14 1.32 1.01 -0.58 -1.59 120.40 122.87 1xck s VAL 324 Ca -0.04 -0.96 0.01 0.00 0.00 0.00 0.00 61.98 60.99 1xck s VAL 324 Cb -0.05 -1.69 0.02 0.00 0.00 0.00 0.00 36.38 34.66 1xck s VAL 324 CO -0.02 0.54 -0.17 -0.63 0.00 0.00 0.00 175.10 174.82 1xck s ILE 325 N 0.31 1.74 0.00 2.22 1.01 0.51 -1.10 121.20 125.89 1xck s ILE 325 Ca -0.17 -0.76 0.00 0.00 0.00 0.00 0.00 60.65 59.72 1xck s ILE 325 Cb -0.17 -1.58 0.00 0.00 0.01 0.00 0.00 42.46 40.72 1xck s ILE 325 CO 0.08 0.49 0.00 0.59 0.00 0.00 0.00 174.94 176.09 1xck n ASN 326 N 4.40 0.00 0.13 3.58 3.02 0.28 -1.29 115.26 125.38 1xck n ASN 326 Ca -0.19 -0.49 0.01 0.00 -0.03 0.00 0.00 54.58 53.88 1xck n ASN 326 Cb 0.51 0.00 0.04 0.00 -0.61 0.00 0.00 39.78 39.72 1xck n ASN 326 CO 0.00 0.00 0.00 0.50 -2.62 0.00 0.00 177.26 175.14 1xck h LYS 327 N 0.00 0.00 0.00 3.52 3.64 -1.93 -1.66 116.57 120.14 1xck h LYS 327 Ca 0.00 0.00 -0.10 0.00 -1.27 0.00 0.00 60.65 59.28 1xck h LYS 327 Cb 0.00 0.00 -0.19 0.00 -0.41 0.00 0.00 32.23 31.63 1xck h LYS 327 CO 0.00 0.58 -0.61 -0.40 -2.27 0.00 0.00 179.45 176.75 1xck n ASP 328 N -3.30 0.21 -3.71 4.20 5.68 -1.26 -4.03 116.55 114.34 1xck n ASP 328 Ca 0.01 -1.87 -0.11 0.00 -0.50 0.00 0.00 54.79 52.32 1xck n ASP 328 Cb 0.74 -0.12 -0.11 0.00 -1.14 0.00 0.00 41.12 40.50 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 -0.02 -0.14 2.12 2.01 -1.14 -3.19 115.64 115.28 1xck s THR 329 Ca 0.14 0.08 0.02 0.00 0.31 0.00 0.00 61.69 62.24 1xck s THR 329 Cb 0.16 -0.56 0.01 0.00 0.01 0.00 0.00 72.50 72.12 1xck s THR 329 CO -0.07 0.03 -0.21 -0.89 -0.69 0.00 0.00 174.62 172.79 1xck s THR 330 N 1.13 2.15 -0.12 -0.82 2.01 0.06 0.10 115.64 120.16 1xck s THR 330 Ca -0.08 -0.95 -0.00 0.00 0.31 0.00 0.00 61.69 60.97 1xck s THR 330 Cb -0.08 -1.86 0.02 0.00 0.01 0.00 0.00 72.50 70.59 1xck s THR 330 CO -0.09 0.55 -0.09 0.28 -0.69 0.00 0.00 174.62 174.57 1xck s THR 331 N 0.77 1.11 -0.37 -0.82 -1.32 -0.26 -1.17 115.64 113.60 1xck s THR 331 Ca -0.08 -0.35 -0.19 0.00 -1.21 0.00 0.00 61.69 59.87 1xck s THR 331 Cb -0.16 -1.11 0.00 0.00 -1.51 0.00 0.00 72.50 69.73 1xck s THR 331 CO -0.01 0.38 0.54 -0.63 -2.21 0.00 0.00 174.62 172.69 1xck s ILE 332 N 1.62 4.98 -0.27 5.08 1.01 0.38 -1.52 121.20 132.48 1xck s ILE 332 Ca 0.04 0.29 -0.09 0.00 0.00 0.00 0.00 60.65 60.90 1xck s ILE 332 Cb -0.13 -4.01 -0.03 0.00 0.01 0.00 0.00 42.46 38.30 1xck s ILE 332 CO -0.08 -0.29 0.11 -0.63 0.00 0.00 0.00 174.94 174.06 1xck s ILE 333 N 2.46 4.60 -0.34 2.92 1.01 0.96 -1.43 121.20 131.39 1xck s ILE 333 Ca 0.19 -0.14 -0.11 0.00 0.00 0.00 0.00 60.65 60.59 1xck s ILE 333 Cb -0.15 -3.20 0.01 0.00 0.01 0.00 0.00 42.46 39.13 1xck s ILE 333 CO 0.14 0.26 0.46 -0.67 0.00 0.00 0.00 174.94 175.13 1xck n ASP 334 N 4.97 -6.50 -4.85 3.58 2.03 0.50 -2.28 116.55 113.99 1xck n ASP 334 Ca -0.15 0.39 -0.31 0.00 0.52 0.00 0.00 54.79 55.23 1xck n ASP 334 Cb 0.51 -4.33 -0.00 0.00 -0.72 0.00 0.00 41.12 36.58 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 -2.24 1.83 0.32 0.27 0.00 -0.61 -1.64 107.32 105.25 1xck s GLY 335 Ca 0.18 0.05 0.23 0.00 0.00 0.00 0.00 44.72 45.18 1xck s GLY 335 CO 0.58 0.33 1.43 -2.08 0.00 0.00 0.00 173.10 173.36 1xck h VAL 336 N 0.13 0.00 -1.34 1.40 2.07 -1.29 -3.46 116.25 113.76 1xck h VAL 336 Ca -0.45 -0.91 -0.70 0.00 0.82 0.00 0.00 66.70 65.46 1xck h VAL 336 Cb 1.19 1.72 0.08 0.00 -1.52 0.00 0.00 31.29 32.76 1xck h VAL 336 CO 0.61 0.00 -0.06 0.61 0.02 0.00 0.00 177.57 178.75 1xck n GLY 337 N 1.16 -0.65 3.74 2.17 0.00 -0.69 -4.76 105.19 106.17 1xck n GLY 337 Ca 0.03 0.54 -0.41 0.00 0.00 0.00 0.00 46.02 46.18 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 -0.48 4.35 0.33 1.61 0.41 -1.26 -4.81 118.70 118.85 1xck s GLU 338 Ca 0.76 2.14 0.12 0.00 -0.41 0.00 0.00 54.97 57.57 1xck s GLU 338 Cb -1.01 -3.16 0.97 0.00 -1.78 0.00 0.00 34.13 29.15 1xck s GLU 338 CO 0.55 -0.28 1.70 0.93 -0.49 0.00 0.00 175.26 177.66 1xck h GLU 339 N 5.03 0.44 -0.05 1.61 5.08 -1.97 0.27 114.58 125.00 1xck h GLU 339 Ca -0.46 -0.03 0.03 0.00 -1.00 0.00 0.00 59.36 57.90 1xck h GLU 339 Cb 1.22 -0.10 -0.06 0.00 0.50 0.00 0.00 28.75 30.31 1xck h GLU 339 CO 0.76 0.29 -0.53 0.00 -1.00 0.00 0.00 179.01 178.54 1xck h ALA 340 N 1.79 -0.89 0.76 3.43 0.00 -1.98 0.54 119.26 122.90 1xck h ALA 340 Ca 0.68 -0.07 -0.04 0.00 0.00 0.00 0.00 54.91 55.48 1xck h ALA 340 Cb 1.42 0.95 0.01 0.00 0.00 0.00 0.00 17.79 20.17 1xck h ALA 340 CO -0.54 -1.09 -0.36 0.00 0.00 0.00 0.00 179.25 177.26 1xck h ALA 341 N -0.32 -1.02 -0.51 0.00 0.00 -0.92 -0.37 119.26 116.12 1xck h ALA 341 Ca 0.02 -0.22 0.09 0.00 0.00 0.00 0.00 54.91 54.80 1xck h ALA 341 Cb 0.70 0.39 -0.07 0.00 0.00 0.00 0.00 17.79 18.82 1xck h ALA 341 CO -0.38 -1.07 0.11 0.82 0.00 0.00 0.00 179.25 178.73 1xck h ILE 342 N -1.02 0.72 -0.19 0.00 2.04 -0.94 0.11 117.51 118.23 1xck h ILE 342 Ca -0.10 -0.08 -0.08 0.00 1.00 0.00 0.00 64.86 65.59 1xck h ILE 342 Cb 0.78 0.45 -0.01 0.00 -0.74 0.00 0.00 36.82 37.30 1xck h ILE 342 CO 0.17 0.04 -0.24 -0.61 0.00 0.00 0.00 178.15 177.51 1xck h GLN 343 N 0.25 0.35 -0.25 2.37 5.75 0.14 -1.15 115.11 122.56 1xck h GLN 343 Ca 0.25 -0.12 -0.13 0.00 -0.15 0.00 0.00 58.65 58.51 1xck h GLN 343 Cb 0.34 -0.03 -0.01 0.00 1.07 0.00 0.00 27.48 28.85 1xck h GLN 343 CO -0.33 0.57 -0.38 0.78 -2.65 0.00 0.00 178.83 176.83 1xck h GLY 344 N 0.99 0.63 0.86 2.39 0.00 0.20 -1.06 103.07 107.07 1xck h GLY 344 Ca 0.05 -0.61 -0.01 0.00 0.00 0.00 0.00 47.33 46.77 1xck h GLY 344 CO 0.04 0.55 0.04 -0.09 0.00 0.00 0.00 176.54 177.08 1xck h ARG 345 N 0.48 0.14 -1.01 4.80 9.65 -0.28 -1.38 114.38 126.78 1xck h ARG 345 Ca 0.05 -0.03 0.09 0.00 -1.10 0.00 0.00 59.98 58.99 1xck h ARG 345 Cb 0.87 -0.02 -0.07 0.00 -1.39 0.00 0.00 29.97 29.35 1xck h ARG 345 CO 0.07 0.26 0.64 0.28 2.80 0.00 0.00 179.97 184.03 1xck h VAL 346 N -0.01 1.02 -0.01 0.20 2.07 -1.03 -1.50 116.25 116.98 1xck h VAL 346 Ca 0.03 -0.38 0.02 0.00 0.82 0.00 0.00 66.70 67.19 1xck h VAL 346 Cb 0.18 -0.18 -0.02 0.00 -1.52 0.00 0.00 31.29 29.74 1xck h VAL 346 CO -0.00 0.20 -0.10 0.00 0.02 0.00 0.00 177.57 177.69 1xck h ALA 347 N 1.49 -0.10 0.01 1.67 0.00 -0.58 -0.35 119.26 121.40 1xck h ALA 347 Ca 0.46 0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.38 1xck h ALA 347 Cb 0.30 0.18 -0.00 0.00 0.00 0.00 0.00 17.79 18.27 1xck h ALA 347 CO -0.21 -0.59 -0.03 1.96 0.00 0.00 0.00 179.25 180.37 1xck h GLN 348 N -0.17 -0.05 -0.81 0.00 4.20 -0.25 -1.25 115.11 116.79 1xck h GLN 348 Ca 0.04 0.00 0.19 0.00 0.06 0.00 0.00 58.65 58.95 1xck h GLN 348 Cb 0.22 0.01 -0.14 0.00 0.30 0.00 0.00 27.48 27.87 1xck h GLN 348 CO -0.11 -0.03 0.03 0.82 -0.67 0.00 0.00 178.83 178.87 1xck h ILE 349 N -0.05 0.29 -0.52 2.54 2.04 -1.44 0.32 117.51 120.69 1xck h ILE 349 Ca -0.00 -0.04 0.07 0.00 1.00 0.00 0.00 64.86 65.90 1xck h ILE 349 Cb 0.05 0.18 -0.03 0.00 -0.74 0.00 0.00 36.82 36.28 1xck h ILE 349 CO -0.02 0.02 0.35 -0.09 0.00 0.00 0.00 178.15 178.41 1xck h ARG 350 N 0.10 0.40 0.16 2.37 2.43 -0.76 -1.29 114.38 117.80 1xck h ARG 350 Ca 0.45 -0.02 -0.28 0.00 -0.81 0.00 0.00 59.98 59.32 1xck h ARG 350 Cb 0.83 -0.09 0.03 0.00 -0.42 0.00 0.00 29.97 30.32 1xck h ARG 350 CO -0.71 0.27 -1.19 0.37 -1.51 0.00 0.00 179.97 177.20 1xck h GLN 351 N 0.42 0.52 -0.70 0.20 4.15 0.78 -3.16 115.11 117.31 1xck h GLN 351 Ca 0.23 -0.78 0.20 0.00 0.77 0.00 0.00 58.65 59.08 1xck h GLN 351 Cb 0.38 0.27 -0.03 0.00 0.21 0.00 0.00 27.48 28.31 1xck h GLN 351 CO -0.06 1.36 0.51 1.96 -1.93 0.00 0.00 178.83 180.66 1xck h GLN 352 N 0.07 0.00 0.00 1.69 4.20 0.01 0.54 115.11 121.62 1xck h GLN 352 Ca -0.19 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.51 1xck h GLN 352 Cb 1.90 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 29.68 1xck h GLN 352 CO 0.23 0.00 -0.02 0.82 -0.67 0.00 0.00 178.83 179.18 1xck h ILE 353 N 0.00 0.12 0.03 2.54 2.04 -1.30 -0.57 117.51 120.37 1xck h ILE 353 Ca 0.33 -0.29 -0.00 0.00 1.00 0.00 0.00 64.86 65.90 1xck h ILE 353 Cb 1.34 1.25 0.00 0.00 -0.74 0.00 0.00 36.82 38.67 1xck h ILE 353 CO -0.00 0.02 -0.01 -0.33 0.00 0.00 0.00 178.15 177.83 1xck h GLU 354 N 0.00 -0.04 0.00 2.37 4.39 -0.04 -3.22 114.58 118.04 1xck h GLU 354 Ca -0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1xck h GLU 354 Cb 0.25 0.01 0.00 0.00 -0.10 0.00 0.00 28.75 28.91 1xck h GLU 354 CO 0.00 0.61 0.00 0.39 -1.16 0.00 0.00 179.01 178.86 1xck n GLU 355 N -4.71 0.25 -1.66 2.33 1.02 -0.98 -4.77 120.64 112.12 1xck n GLU 355 Ca -0.07 0.11 -0.44 0.00 -0.02 0.00 0.00 57.16 56.73 1xck n GLU 355 Cb 0.32 -1.50 -0.04 0.00 -0.02 0.00 0.00 31.44 30.21 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 -1.17 1.41 -1.33 0.62 0.00 -0.26 -4.85 120.51 114.93 1xck n ALA 356 Ca 0.07 0.20 -0.18 0.00 0.00 0.00 0.00 53.44 53.53 1xck n ALA 356 Cb 0.07 -2.65 0.18 0.00 0.00 0.00 0.00 19.45 17.05 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 5.58 3.01 -3.64 0.00 -2.24 -1.26 -4.92 114.28 110.80 1xck n THR 357 Ca 0.21 -2.29 -0.05 0.00 -2.27 0.00 0.00 64.05 59.65 1xck n THR 357 Cb 0.38 -0.46 -0.07 0.00 -2.10 0.00 0.00 70.33 68.08 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 -1.77 -0.55 0.17 3.42 0.15 -1.26 -5.03 113.70 108.83 1xck s SER 358 Ca 0.53 0.93 -0.15 0.00 0.70 0.00 0.00 55.95 57.96 1xck s SER 358 Cb 0.46 1.13 0.12 0.00 -1.71 0.00 0.00 66.02 66.02 1xck s SER 358 CO 0.06 -0.15 1.71 0.44 1.20 0.00 0.00 173.24 176.50 1xck h ASP 359 N 5.54 -0.08 0.27 5.45 3.32 -1.99 0.13 116.42 129.06 1xck h ASP 359 Ca -0.28 0.08 0.01 0.00 0.02 0.00 0.00 57.03 56.86 1xck h ASP 359 Cb 1.19 0.13 -0.03 0.00 0.22 0.00 0.00 39.33 40.84 1xck h ASP 359 CO 0.16 -0.01 -0.38 0.22 -1.72 0.00 0.00 179.24 177.52 1xck h TYR 360 N 0.16 -1.03 -0.81 4.55 3.20 -1.99 0.41 116.97 121.46 1xck h TYR 360 Ca 0.20 0.01 0.12 0.00 3.14 0.00 0.00 58.73 62.21 1xck h TYR 360 Cb 0.27 0.42 -0.06 0.00 1.54 0.00 0.00 36.73 38.90 1xck h TYR 360 CO -0.24 -0.51 0.53 -0.44 -1.64 0.00 0.00 178.16 175.86 1xck h ASP 361 N -0.70 0.57 -0.34 -2.11 5.19 -1.84 -1.22 116.42 115.97 1xck h ASP 361 Ca -0.01 0.03 -0.07 0.00 -0.62 0.00 0.00 57.03 56.36 1xck h ASP 361 Cb 0.67 -0.09 -0.01 0.00 0.18 0.00 0.00 39.33 40.08 1xck h ASP 361 CO -0.13 0.31 -0.05 -0.09 -3.12 0.00 0.00 179.24 176.16 1xck h ARG 362 N 0.62 0.64 -0.32 3.56 2.43 0.09 -2.69 114.38 118.71 1xck h ARG 362 Ca 0.39 -0.23 -0.03 0.00 -0.81 0.00 0.00 59.98 59.30 1xck h ARG 362 Cb 0.64 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 30.14 1xck h ARG 362 CO -0.15 0.79 0.09 0.93 -1.51 0.00 0.00 179.97 180.12 1xck h GLU 363 N 0.43 0.50 -0.71 0.20 5.08 0.14 -1.71 114.58 118.51 1xck h GLU 363 Ca 0.09 -0.11 0.04 0.00 -1.00 0.00 0.00 59.36 58.38 1xck h GLU 363 Cb 0.54 -0.07 -0.05 0.00 0.50 0.00 0.00 28.75 29.67 1xck h GLU 363 CO 0.03 0.55 0.43 0.87 -1.00 0.00 0.00 179.01 179.89 1xck h LYS 364 N 0.35 0.81 -0.11 2.33 1.79 -1.28 -0.33 116.57 120.13 1xck h LYS 364 Ca 0.10 -0.05 -0.00 0.00 -2.18 0.00 0.00 60.65 58.52 1xck h LYS 364 Cb 0.27 -0.18 -0.01 0.00 -1.58 0.00 0.00 32.23 30.73 1xck h LYS 364 CO -0.00 0.54 0.05 -0.07 -1.08 0.00 0.00 179.45 178.89 1xck h LEU 365 N 0.83 0.15 -1.28 2.94 3.38 -1.35 -2.24 115.31 117.75 1xck h LEU 365 Ca 0.29 -0.12 0.14 0.00 0.09 0.00 0.00 57.88 58.28 1xck h LEU 365 Cb 0.07 -0.04 -0.07 0.00 0.09 0.00 0.00 40.66 40.71 1xck h LEU 365 CO -0.13 0.23 0.57 1.56 0.09 0.00 0.00 178.44 180.77 1xck h GLN 366 N 0.06 0.68 0.15 1.13 4.20 -0.80 -0.52 115.11 120.02 1xck h GLN 366 Ca 0.04 -0.04 0.01 0.00 0.06 0.00 0.00 58.65 58.71 1xck h GLN 366 Cb 0.12 -0.15 -0.02 0.00 0.30 0.00 0.00 27.48 27.73 1xck h GLN 366 CO -0.00 0.45 -0.17 0.93 -0.67 0.00 0.00 178.83 179.37 1xck h GLU 367 N 0.70 -0.35 -0.36 1.46 5.08 -0.50 -1.38 114.58 119.23 1xck h GLU 367 Ca 0.44 0.02 0.02 0.00 -1.00 0.00 0.00 59.36 58.85 1xck h GLU 367 Cb 0.69 0.08 -0.03 0.00 0.50 0.00 0.00 28.75 29.99 1xck h GLU 367 CO -0.20 -0.23 0.19 0.00 -1.00 0.00 0.00 179.01 177.76 1xck h ARG 368 N -0.36 0.37 -0.68 2.33 3.08 -0.64 -1.59 114.38 116.89 1xck h ARG 368 Ca 0.01 -0.02 -0.01 0.00 0.07 0.00 0.00 59.98 60.02 1xck h ARG 368 Cb 0.35 -0.08 -0.03 0.00 0.08 0.00 0.00 29.97 30.28 1xck h ARG 368 CO -0.05 0.24 0.39 -0.39 -1.07 0.00 0.00 179.97 179.09 1xck h VAL 369 N 0.38 1.21 -0.75 2.04 -1.51 -1.15 -1.70 116.25 114.77 1xck h VAL 369 Ca 0.15 -0.50 0.08 0.00 -1.23 0.00 0.00 66.70 65.20 1xck h VAL 369 Cb 0.05 0.30 -0.07 0.00 -2.13 0.00 0.00 31.29 29.44 1xck h VAL 369 CO -0.10 0.22 0.41 0.00 -1.23 0.00 0.00 177.57 176.88 1xck h ALA 370 N 1.19 1.03 0.77 5.19 0.00 -0.76 0.43 119.26 127.12 1xck h ALA 370 Ca 0.24 0.03 -0.04 0.00 0.00 0.00 0.00 54.91 55.15 1xck h ALA 370 Cb 0.02 -0.11 0.01 0.00 0.00 0.00 0.00 17.79 17.71 1xck h ALA 370 CO -0.04 0.05 -0.37 0.87 0.00 0.00 0.00 179.25 179.76 1xck h LYS 371 N 0.71 -1.00 0.27 0.00 1.57 -0.74 0.70 116.57 118.08 1xck h LYS 371 Ca 0.35 0.07 -0.00 0.00 -1.87 0.00 0.00 60.65 59.20 1xck h LYS 371 Cb 0.30 0.23 -0.02 0.00 0.08 0.00 0.00 32.23 32.81 1xck h LYS 371 CO -0.23 -0.65 -0.38 1.25 -0.57 0.00 0.00 179.45 178.86 1xck h LEU 372 N -1.21 -1.09 -1.40 2.94 5.85 -1.04 -3.02 115.31 116.33 1xck h LEU 372 Ca -0.11 0.10 -0.03 0.00 0.84 0.00 0.00 57.88 58.68 1xck h LEU 372 Cb 0.81 0.38 -0.02 0.00 0.37 0.00 0.00 40.66 42.20 1xck h LEU 372 CO 0.17 -0.47 0.08 0.00 -0.34 0.00 0.00 178.44 177.89 1xck h ALA 373 N -1.01 1.53 -0.29 1.25 0.00 -0.24 -3.21 119.26 117.29 1xck h ALA 373 Ca -0.03 -0.13 -0.09 0.00 0.00 0.00 0.00 54.91 54.65 1xck h ALA 373 Cb 0.62 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 1xck h ALA 373 CO -0.11 0.36 -0.21 0.78 0.00 0.00 0.00 179.25 180.06 1xck h GLY 374 N 0.70 0.58 0.00 0.00 0.00 -0.77 -3.49 103.07 100.09 1xck h GLY 374 Ca 0.11 -0.46 0.00 0.00 0.00 0.00 0.00 47.33 46.99 1xck h GLY 374 CO -0.00 0.42 0.00 0.61 0.00 0.00 0.00 176.54 177.56 1xck n GLY 375 N -0.41 -0.72 2.92 4.60 0.00 -1.15 -4.90 105.19 105.52 1xck n GLY 375 Ca -0.00 -1.15 -0.13 0.00 0.00 0.00 0.00 46.02 44.74 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 -0.03 0.26 1.61 1.01 -0.05 -4.58 120.40 118.63 1xck s VAL 376 Ca 0.00 0.10 -0.27 0.00 0.00 0.00 0.00 61.98 61.81 1xck s VAL 376 Cb 0.00 -0.16 -0.09 0.00 0.00 0.00 0.00 36.38 36.13 1xck s VAL 376 CO 0.00 0.04 0.90 0.00 0.00 0.00 0.00 175.10 176.04 1xck s ALA 377 N 0.59 3.31 -0.16 5.51 0.00 0.50 -0.95 121.76 130.56 1xck s ALA 377 Ca -0.05 0.50 -0.01 0.00 0.00 0.00 0.00 51.96 52.41 1xck s ALA 377 Cb -0.06 -3.13 0.04 0.00 0.00 0.00 0.00 23.12 19.97 1xck s ALA 377 CO -0.02 0.22 -0.06 0.08 0.00 0.00 0.00 175.76 175.98 1xck s VAL 378 N -1.38 1.08 -0.25 0.00 1.01 0.77 -0.25 120.40 121.38 1xck s VAL 378 Ca 0.44 -0.56 -0.12 0.00 0.00 0.00 0.00 61.98 61.74 1xck s VAL 378 Cb -0.22 -1.23 -0.05 0.00 0.00 0.00 0.00 36.38 34.88 1xck s VAL 378 CO 0.27 0.17 0.22 -0.63 0.00 0.00 0.00 175.10 175.13 1xck s ILE 379 N 1.65 5.31 -0.28 2.22 1.01 0.12 -2.17 121.20 129.06 1xck s ILE 379 Ca 0.02 0.28 -0.07 0.00 0.00 0.00 0.00 60.65 60.87 1xck s ILE 379 Cb -0.15 -3.56 -0.00 0.00 0.01 0.00 0.00 42.46 38.76 1xck s ILE 379 CO -0.08 0.28 0.07 -0.54 0.00 0.00 0.00 174.94 174.67 1xck s LYS 380 N 1.44 3.30 -0.37 2.79 1.02 -0.02 -0.72 119.74 127.19 1xck s LYS 380 Ca 0.09 -0.71 -0.24 0.00 0.02 0.00 0.00 55.97 55.13 1xck s LYS 380 Cb -0.15 -3.33 0.01 0.00 -0.52 0.00 0.00 37.83 33.84 1xck s LYS 380 CO 0.08 -0.34 0.84 0.08 -0.92 0.00 0.00 175.35 175.08 1xck s VAL 381 N 1.54 4.67 0.49 3.17 1.01 -0.92 -1.77 120.40 128.60 1xck s VAL 381 Ca 0.04 0.98 -0.01 0.00 0.00 0.00 0.00 61.98 62.99 1xck s VAL 381 Cb -0.16 -4.26 0.00 0.00 0.00 0.00 0.00 36.38 31.96 1xck s VAL 381 CO 0.02 -0.48 0.74 -0.83 0.00 0.00 0.00 175.10 174.55 1xck s GLY 382 N 1.87 1.60 0.00 4.51 0.00 -1.24 -1.53 107.32 112.53 1xck s GLY 382 Ca 0.34 -0.99 0.00 0.00 0.00 0.00 0.00 44.72 44.07 1xck s GLY 382 CO 0.18 -0.78 0.00 0.00 0.00 0.00 0.00 173.10 172.50 1xck n ALA 383 N -2.23 0.00 -1.81 3.20 0.00 -1.26 -4.34 120.51 114.07 1xck n ALA 383 Ca 0.03 0.00 -0.00 0.00 0.00 0.00 0.00 53.44 53.46 1xck n ALA 383 Cb 0.58 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.03 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 -0.26 -3.10 0.00 0.00 0.00 -1.26 -4.67 120.51 111.22 1xck n ALA 384 Ca 0.00 0.16 0.00 0.00 0.00 0.00 0.00 53.44 53.60 1xck n ALA 384 Cb 0.00 -0.40 0.00 0.00 0.00 0.00 0.00 19.45 19.05 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 0.04 0.00 -0.33 0.00 -2.24 -1.26 -4.77 114.28 105.72 1xck n THR 385 Ca 0.01 0.00 0.10 0.00 -2.27 0.00 0.00 64.05 61.89 1xck n THR 385 Cb 0.02 0.00 0.27 0.00 -2.10 0.00 0.00 70.33 68.53 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 0.71 0.51 -0.78 4.81 -1.99 -2.27 114.58 115.57 1xck h GLU 386 Ca 0.00 -0.04 -0.02 0.00 -0.13 0.00 0.00 59.36 59.17 1xck h GLU 386 Cb 0.00 -0.16 -0.01 0.00 0.63 0.00 0.00 28.75 29.21 1xck h GLU 386 CO 0.00 0.47 -0.37 0.28 -0.73 0.00 0.00 179.01 178.66 1xck h VAL 387 N 0.73 0.25 -0.87 0.32 2.07 -1.99 0.82 116.25 117.58 1xck h VAL 387 Ca 0.52 0.00 0.07 0.00 0.82 0.00 0.00 66.70 68.11 1xck h VAL 387 Cb 0.75 0.25 -0.06 0.00 -1.52 0.00 0.00 31.29 30.72 1xck h VAL 387 CO -0.36 0.00 0.57 -0.33 0.02 0.00 0.00 177.57 177.46 1xck h GLU 388 N -0.85 0.93 0.21 1.57 5.08 -1.79 -1.06 114.58 118.67 1xck h GLU 388 Ca -0.06 -0.06 -0.01 0.00 -1.00 0.00 0.00 59.36 58.24 1xck h GLU 388 Cb 0.72 -0.21 0.00 0.00 0.50 0.00 0.00 28.75 29.76 1xck h GLU 388 CO 0.02 0.61 -0.10 1.98 -1.00 0.00 0.00 179.01 180.52 1xck h MET 389 N 0.95 -0.27 -0.64 2.33 4.05 -0.96 0.55 114.93 120.95 1xck h MET 389 Ca 0.38 0.02 0.01 0.00 -0.28 0.00 0.00 59.70 59.83 1xck h MET 389 Cb 0.25 0.06 -0.03 0.00 -0.80 0.00 0.00 31.60 31.08 1xck h MET 389 CO -0.14 -0.09 0.42 0.87 0.23 0.00 0.00 176.91 178.19 1xck h LYS 390 N -0.40 0.83 0.48 0.39 1.79 -0.48 0.13 116.57 119.30 1xck h LYS 390 Ca -0.03 -0.05 -0.02 0.00 -2.18 0.00 0.00 60.65 58.37 1xck h LYS 390 Cb 0.31 -0.19 0.00 0.00 -1.58 0.00 0.00 32.23 30.78 1xck h LYS 390 CO 0.05 0.55 -0.23 1.49 -1.08 0.00 0.00 179.45 180.23 1xck h GLU 391 N 0.86 -0.62 -0.80 3.15 4.22 -0.95 -2.74 114.58 117.69 1xck h GLU 391 Ca 0.23 0.04 0.03 0.00 0.08 0.00 0.00 59.36 59.75 1xck h GLU 391 Cb -0.09 0.14 -0.04 0.00 0.50 0.00 0.00 28.75 29.25 1xck h GLU 391 CO -0.05 -0.31 0.53 -0.22 -2.18 0.00 0.00 179.01 176.77 1xck h LYS 392 N -0.98 0.96 -0.90 1.92 3.64 -0.73 -1.18 116.57 119.30 1xck h LYS 392 Ca -0.07 -0.06 0.06 0.00 -1.27 0.00 0.00 60.65 59.31 1xck h LYS 392 Cb 0.59 -0.22 -0.06 0.00 -0.41 0.00 0.00 32.23 32.14 1xck h LYS 392 CO 0.11 0.64 0.59 -0.22 -2.27 0.00 0.00 179.45 178.29 1xck h LYS 393 N 0.99 1.02 -0.04 1.90 3.64 -0.96 0.11 116.57 123.23 1xck h LYS 393 Ca 0.32 -0.06 -0.01 0.00 -1.27 0.00 0.00 60.65 59.63 1xck h LYS 393 Cb 0.03 -0.23 -0.00 0.00 -0.41 0.00 0.00 32.23 31.62 1xck h LYS 393 CO -0.09 0.67 -0.01 0.00 -2.27 0.00 0.00 179.45 177.75 1xck h ALA 394 N 1.50 0.05 -0.43 5.00 0.00 -0.93 -1.74 119.26 122.72 1xck h ALA 394 Ca 0.38 -0.20 0.06 0.00 0.00 0.00 0.00 54.91 55.15 1xck h ALA 394 Cb 0.15 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 1xck h ALA 394 CO -0.13 -0.25 0.29 0.00 0.00 0.00 0.00 179.25 179.16 1xck h ARG 395 N -0.28 0.33 -0.22 0.00 3.08 -0.62 -1.42 114.38 115.25 1xck h ARG 395 Ca 0.01 -0.02 -0.12 0.00 0.07 0.00 0.00 59.98 59.92 1xck h ARG 395 Cb 0.39 -0.07 -0.00 0.00 0.08 0.00 0.00 29.97 30.37 1xck h ARG 395 CO 0.00 0.22 -0.35 0.28 -1.07 0.00 0.00 179.97 179.05 1xck h VAL 396 N 0.34 1.32 -0.75 2.04 2.07 -0.62 -1.54 116.25 119.10 1xck h VAL 396 Ca 0.19 -1.56 0.02 0.00 0.82 0.00 0.00 66.70 66.16 1xck h VAL 396 Cb 0.32 1.80 -0.04 0.00 -1.52 0.00 0.00 31.29 31.85 1xck h VAL 396 CO -0.04 0.49 0.49 -0.33 0.02 0.00 0.00 177.57 178.19 1xck h GLU 397 N 0.31 0.94 0.29 1.57 5.08 -0.54 0.31 114.58 122.55 1xck h GLU 397 Ca 0.02 -0.06 -0.01 0.00 -1.00 0.00 0.00 59.36 58.31 1xck h GLU 397 Cb 0.94 -0.21 0.00 0.00 0.50 0.00 0.00 28.75 29.98 1xck h GLU 397 CO 0.08 0.62 -0.14 -0.44 -1.00 0.00 0.00 179.01 178.13 1xck h ASP 398 N 0.97 -0.33 -0.53 1.42 3.32 -1.25 -2.28 116.42 117.75 1xck h ASP 398 Ca 0.29 -0.16 0.08 0.00 0.02 0.00 0.00 57.03 57.26 1xck h ASP 398 Cb -0.05 0.09 -0.03 0.00 0.22 0.00 0.00 39.33 39.55 1xck h ASP 398 CO -0.08 -0.01 0.35 0.00 -1.72 0.00 0.00 179.24 177.78 1xck h ALA 399 N -0.07 2.02 0.09 3.45 0.00 -1.16 -0.72 119.26 122.87 1xck h ALA 399 Ca -0.04 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.85 1xck h ALA 399 Cb 0.47 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.19 1xck h ALA 399 CO 0.07 -0.13 -0.04 1.25 0.00 0.00 0.00 179.25 180.39 1xck h LEU 400 N 0.36 -0.10 -1.05 0.00 5.85 -0.78 0.49 115.31 120.08 1xck h LEU 400 Ca 0.24 -0.21 -0.01 0.00 0.84 0.00 0.00 57.88 58.75 1xck h LEU 400 Cb 0.47 0.03 -0.04 0.00 0.37 0.00 0.00 40.66 41.48 1xck h LEU 400 CO -0.06 0.15 0.51 -0.74 -0.34 0.00 0.00 178.44 177.96 1xck h HIS 401 N -0.36 1.13 0.02 1.25 2.76 -0.77 -0.61 115.15 118.57 1xck h HIS 401 Ca -0.01 -0.00 -0.00 0.00 -2.20 0.00 0.00 60.37 58.15 1xck h HIS 401 Cb 0.30 -0.37 0.00 0.00 1.55 0.00 0.00 27.41 28.89 1xck h HIS 401 CO 0.00 0.76 -0.01 0.00 -1.30 0.00 0.00 177.93 177.38 1xck h ALA 402 N 1.38 -0.03 -0.48 5.26 0.00 -1.01 -2.82 119.26 121.56 1xck h ALA 402 Ca 0.31 -0.14 -0.03 0.00 0.00 0.00 0.00 54.91 55.05 1xck h ALA 402 Cb -0.04 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 1xck h ALA 402 CO -0.06 -0.38 0.17 1.15 0.00 0.00 0.00 179.25 180.14 1xck h THR 403 N -0.31 1.19 -0.32 0.00 2.02 -0.71 0.42 112.91 115.20 1xck h THR 403 Ca -0.00 -0.61 0.04 0.00 0.77 0.00 0.00 66.41 66.61 1xck h THR 403 Cb 0.29 0.63 -0.04 0.00 -1.74 0.00 0.00 68.15 67.30 1xck h THR 403 CO 0.01 0.23 0.08 -0.09 0.37 0.00 0.00 175.52 176.12 1xck h ARG 404 N 0.69 0.20 -0.39 6.66 1.12 -1.02 -0.13 114.38 121.51 1xck h ARG 404 Ca 0.16 -0.01 -0.12 0.00 -1.11 0.00 0.00 59.98 58.90 1xck h ARG 404 Cb 0.17 -0.05 -0.01 0.00 -0.01 0.00 0.00 29.97 30.07 1xck h ARG 404 CO -0.01 0.13 -0.24 0.00 -3.11 0.00 0.00 179.97 176.74 1xck h ALA 405 N 1.22 0.86 -0.34 2.80 0.00 -1.12 -2.55 119.26 120.13 1xck h ALA 405 Ca 0.15 -0.38 -0.01 0.00 0.00 0.00 0.00 54.91 54.67 1xck h ALA 405 Cb 0.14 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 1xck h ALA 405 CO -0.17 0.63 0.17 0.00 0.00 0.00 0.00 179.25 179.88 1xck h ALA 406 N 1.06 0.44 -0.12 0.00 0.00 -0.42 -2.20 119.26 118.02 1xck h ALA 406 Ca 0.09 -0.10 -0.03 0.00 0.00 0.00 0.00 54.91 54.88 1xck h ALA 406 Cb 0.75 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.40 1xck h ALA 406 CO 0.06 -0.01 -0.05 0.28 0.00 0.00 0.00 179.25 179.54 1xck h VAL 407 N 0.42 1.11 -0.01 0.00 2.07 -0.89 0.52 116.25 119.46 1xck h VAL 407 Ca 0.12 -0.46 -0.03 0.00 0.82 0.00 0.00 66.70 67.15 1xck h VAL 407 Cb 0.11 1.07 0.00 0.00 -1.52 0.00 0.00 31.29 30.95 1xck h VAL 407 CO -0.02 0.15 -0.13 -0.33 0.02 0.00 0.00 177.57 177.26 1xck h GLU 408 N 0.17 0.10 0.00 1.57 5.08 -1.05 -3.41 114.58 117.04 1xck h GLU 408 Ca 0.04 -0.10 0.00 0.00 -1.00 0.00 0.00 59.36 58.30 1xck h GLU 408 Cb 0.20 0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.47 1xck h GLU 408 CO 0.01 0.82 -0.04 0.39 -1.00 0.00 0.00 179.01 179.19 1xck n GLU 409 N -4.62 1.48 0.00 2.33 1.02 -0.86 -5.08 120.64 114.90 1xck n GLU 409 Ca -0.09 -1.22 0.00 0.00 -0.02 0.00 0.00 57.16 55.83 1xck n GLU 409 Cb 0.43 -0.83 0.00 0.00 -0.02 0.00 0.00 31.44 31.02 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 -0.38 -2.07 3.26 0.62 0.00 0.18 -4.46 105.19 102.34 1xck n GLY 410 Ca 0.02 -1.46 -0.19 0.00 0.00 0.00 0.00 46.02 44.39 1xck n GLY 410 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1xck s VAL 411 N 0.00 1.46 0.20 1.61 -7.23 0.17 -0.72 120.40 115.88 1xck s VAL 411 Ca 0.00 -1.76 0.01 0.00 -1.81 0.00 0.00 61.98 58.42 1xck s VAL 411 Cb 0.00 -1.61 -0.05 0.00 0.56 0.00 0.00 36.38 35.29 1xck s VAL 411 CO 0.00 -0.38 0.06 0.68 -0.31 0.00 0.00 175.10 175.15 1xck s VAL 412 N -2.07 0.44 0.32 1.32 -7.23 -0.52 -0.75 120.40 111.91 1xck s VAL 412 Ca 0.10 -1.98 -0.29 0.00 -1.81 0.00 0.00 61.98 58.01 1xck s VAL 412 Cb -0.05 -2.33 -0.12 0.00 0.56 0.00 0.00 36.38 34.44 1xck s VAL 412 CO 0.04 -0.25 1.41 0.00 -0.31 0.00 0.00 175.10 175.99 1xck n ALA 413 N -0.29 1.71 -1.67 1.32 0.00 -1.26 -1.29 120.51 119.03 1xck n ALA 413 Ca -0.03 0.37 0.00 0.00 0.00 0.00 0.00 53.44 53.78 1xck n ALA 413 Cb 0.65 -2.33 0.00 0.00 0.00 0.00 0.00 19.45 17.76 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 1.29 1.36 2.34 0.00 0.00 0.72 -3.17 105.19 107.74 1xck n GLY 414 Ca 0.06 -1.82 -0.16 0.00 0.00 0.00 0.00 46.02 44.10 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 0.47 3.05 -0.02 0.00 -1.26 -1.56 105.19 110.87 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 -0.62 0.81 0.12 -0.02 0.00 -1.26 -4.45 105.19 99.78 1xck n GLY 416 Ca -0.18 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.75 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 1.51 -0.45 1.61 -1.51 -1.50 -3.08 116.25 112.82 1xck h VAL 417 Ca 0.00 -2.70 0.04 0.00 -1.23 0.00 0.00 66.70 62.81 1xck h VAL 417 Cb 0.01 2.52 -0.04 0.00 -2.13 0.00 0.00 31.29 31.66 1xck h VAL 417 CO 0.00 0.79 0.21 0.00 -1.23 0.00 0.00 177.57 177.33 1xck h ALA 418 N 0.95 0.56 -0.78 5.19 0.00 -1.73 0.38 119.26 123.83 1xck h ALA 418 Ca -0.05 0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.85 1xck h ALA 418 Cb 1.55 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 19.27 1xck h ALA 418 CO 0.14 -0.16 0.33 -0.07 0.00 0.00 0.00 179.25 179.49 1xck h LEU 419 N 0.42 1.06 -0.39 0.00 3.38 -1.85 0.53 115.31 118.46 1xck h LEU 419 Ca 0.20 -0.15 -0.19 0.00 0.09 0.00 0.00 57.88 57.83 1xck h LEU 419 Cb 0.14 -0.28 -0.00 0.00 0.09 0.00 0.00 40.66 40.61 1xck h LEU 419 CO -0.16 0.93 -0.75 -0.29 0.09 0.00 0.00 178.44 178.27 1xck h ILE 420 N 1.13 1.38 0.24 1.22 2.10 -1.34 -1.92 117.51 120.33 1xck h ILE 420 Ca 0.26 -2.17 -0.01 0.00 1.08 0.00 0.00 64.86 64.02 1xck h ILE 420 Cb 0.19 2.14 0.00 0.00 -1.09 0.00 0.00 36.82 38.06 1xck h ILE 420 CO -0.02 0.65 -0.11 -0.09 -1.08 0.00 0.00 178.15 177.49 1xck h ARG 421 N 0.27 -0.31 -0.78 2.19 9.65 0.16 -1.20 114.38 124.36 1xck h ARG 421 Ca -0.03 0.02 0.02 0.00 -1.10 0.00 0.00 59.98 58.89 1xck h ARG 421 Cb 1.33 0.07 -0.04 0.00 -1.39 0.00 0.00 29.97 29.93 1xck h ARG 421 CO 0.13 -0.13 0.51 0.28 2.80 0.00 0.00 179.97 183.56 1xck h VAL 422 N -0.42 1.15 -0.46 0.20 2.07 -0.92 -2.27 116.25 115.59 1xck h VAL 422 Ca -0.03 -0.34 -0.11 0.00 0.82 0.00 0.00 66.70 67.03 1xck h VAL 422 Cb 0.32 0.07 -0.01 0.00 -1.52 0.00 0.00 31.29 30.15 1xck h VAL 422 CO 0.05 0.18 -0.16 0.00 0.02 0.00 0.00 177.57 177.67 1xck h ALA 423 N 1.53 0.64 0.00 1.67 0.00 -1.10 -2.73 119.26 119.28 1xck h ALA 423 Ca 0.30 -0.36 -0.00 0.00 0.00 0.00 0.00 54.91 54.85 1xck h ALA 423 Cb -0.02 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 17.61 1xck h ALA 423 CO -0.08 0.58 -0.01 0.66 0.00 0.00 0.00 179.25 180.40 1xck h SER 424 N 0.77 0.00 1.00 0.00 4.64 -0.63 -1.42 113.55 117.91 1xck h SER 424 Ca 0.11 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.43 1xck h SER 424 Cb 0.72 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.81 1xck h SER 424 CO 0.05 0.01 -0.12 0.29 -0.87 0.00 0.00 176.83 176.20 1xck n LYS 425 N -3.77 0.07 -0.81 4.77 5.02 -1.03 -3.90 118.16 118.51 1xck n LYS 425 Ca -0.03 0.05 -0.02 0.00 -2.02 0.00 0.00 58.31 56.29 1xck n LYS 425 Cb 0.10 -1.57 0.26 0.00 -0.02 0.00 0.00 35.03 33.80 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 -1.68 5.01 -0.31 -0.35 4.77 -0.53 -4.72 117.00 119.18 1xck n LEU 426 Ca 0.06 -3.31 0.04 0.00 -0.03 0.00 0.00 56.01 52.77 1xck n LEU 426 Cb 0.36 -0.66 0.23 0.00 -2.33 0.00 0.00 43.42 41.02 1xck n LEU 426 CO 0.29 0.88 1.25 0.00 -1.33 0.00 0.00 177.39 178.49 1xck h ALA 427 N 1.95 1.50 -0.01 -1.18 0.00 -1.68 -2.24 119.26 117.60 1xck h ALA 427 Ca 0.19 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.08 1xck h ALA 427 Cb 1.94 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 19.46 1xck h ALA 427 CO 0.52 0.36 -0.08 -0.25 0.00 0.00 0.00 179.25 179.80 1xck n ASP 428 N -4.49 0.76 -4.70 0.00 8.00 -1.26 -4.90 116.55 109.96 1xck n ASP 428 Ca 0.14 -0.97 -0.42 0.00 0.71 0.00 0.00 54.79 54.25 1xck n ASP 428 Cb 0.20 -0.01 -0.03 0.00 -0.02 0.00 0.00 41.12 41.26 1xck n ASP 428 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 1xck s LEU 429 N -2.25 4.39 0.25 0.64 2.96 -0.85 -4.99 118.68 118.84 1xck s LEU 429 Ca 0.34 2.79 0.03 0.00 -0.22 0.00 0.00 54.13 57.08 1xck s LEU 429 Cb 0.21 -3.58 -0.05 0.00 0.50 0.00 0.00 46.19 43.26 1xck s LEU 429 CO 0.42 -0.99 0.02 -0.13 -1.32 0.00 0.00 176.35 174.35 1xck s ARG 430 N 2.19 1.42 0.00 1.98 1.81 -1.26 -4.96 118.95 120.13 1xck s ARG 430 Ca 0.79 -1.74 0.00 0.00 -1.72 0.00 0.00 55.73 53.06 1xck s ARG 430 Cb -0.47 -0.65 0.00 0.00 -0.45 0.00 0.00 34.95 33.38 1xck s ARG 430 CO 0.35 -0.13 0.00 0.41 -0.68 0.00 0.00 175.30 175.25 1xck n GLY 431 N -0.48 5.84 0.09 -3.53 0.00 -1.26 -5.01 105.19 100.83 1xck n GLY 431 Ca -0.04 -1.91 0.13 0.00 0.00 0.00 0.00 46.02 44.20 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 0.35 -3.78 1.61 6.02 -1.26 -4.91 117.38 115.42 1xck n GLN 432 Ca 0.00 -0.17 -0.05 0.00 -0.01 0.00 0.00 57.00 56.76 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 -2.77 -0.23 0.43 1.08 2.20 -1.26 -5.03 114.94 109.36 1xck s ASN 433 Ca 0.18 -0.46 0.11 0.00 -0.94 0.00 0.00 52.86 51.75 1xck s ASN 433 Cb 0.19 0.59 0.96 0.00 -2.00 0.00 0.00 41.25 40.98 1xck s ASN 433 CO 0.59 -1.08 2.02 -0.08 -2.94 0.00 0.00 177.10 175.62 1xck h GLU 434 N 2.00 0.45 -0.46 3.55 4.57 -1.99 -0.83 114.58 121.87 1xck h GLU 434 Ca -0.22 -0.03 -0.02 0.00 -1.18 0.00 0.00 59.36 57.91 1xck h GLU 434 Cb 1.24 -0.10 -0.02 0.00 -0.16 0.00 0.00 28.75 29.71 1xck h GLU 434 CO 0.25 0.30 0.20 -0.44 -1.18 0.00 0.00 179.01 178.14 1xck h ASP 435 N 0.46 0.61 0.31 1.04 3.32 -1.96 -0.68 116.42 119.53 1xck h ASP 435 Ca 0.21 -0.15 -0.10 0.00 0.02 0.00 0.00 57.03 57.01 1xck h ASP 435 Cb 0.24 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 39.62 1xck h ASP 435 CO -0.05 0.59 -0.40 1.56 -1.72 0.00 0.00 179.24 179.21 1xck h GLN 436 N 0.59 0.13 -0.41 3.56 4.20 -1.46 -1.74 115.11 119.98 1xck h GLN 436 Ca 0.15 -0.06 -0.09 0.00 0.06 0.00 0.00 58.65 58.72 1xck h GLN 436 Cb 0.15 -0.00 -0.02 0.00 0.30 0.00 0.00 27.48 27.91 1xck h GLN 436 CO -0.02 0.52 -0.11 -0.91 -0.67 0.00 0.00 178.83 177.65 1xck h ASN 437 N 0.11 0.71 -0.37 1.46 2.35 -0.61 -0.51 115.58 118.72 1xck h ASN 437 Ca 0.01 -0.20 -0.11 0.00 -0.55 0.00 0.00 56.30 55.45 1xck h ASN 437 Cb 0.77 -0.19 -0.01 0.00 0.05 0.00 0.00 38.32 38.94 1xck h ASN 437 CO 0.06 0.84 -0.18 0.58 -1.65 0.00 0.00 177.43 177.08 1xck h VAL 438 N 0.66 1.28 -0.90 2.81 2.07 -0.76 -1.97 116.25 119.44 1xck h VAL 438 Ca 0.11 -1.31 0.07 0.00 0.82 0.00 0.00 66.70 66.39 1xck h VAL 438 Cb 0.56 1.35 -0.07 0.00 -1.52 0.00 0.00 31.29 31.61 1xck h VAL 438 CO 0.03 0.43 0.56 1.23 0.02 0.00 0.00 177.57 179.85 1xck h GLY 439 N 0.56 1.38 0.92 2.17 0.00 -0.94 0.38 103.07 107.54 1xck h GLY 439 Ca 0.08 -0.40 -0.01 0.00 0.00 0.00 0.00 47.33 47.00 1xck h GLY 439 CO 0.06 0.26 0.11 -2.22 0.00 0.00 0.00 176.54 174.75 1xck h ILE 440 N 1.01 1.14 -0.46 2.60 2.04 -0.83 -1.97 117.51 121.05 1xck h ILE 440 Ca 0.40 -0.42 -0.05 0.00 1.00 0.00 0.00 64.86 65.80 1xck h ILE 440 Cb 0.21 0.99 -0.02 0.00 -0.74 0.00 0.00 36.82 37.26 1xck h ILE 440 CO -0.19 0.14 0.09 0.11 0.00 0.00 0.00 178.15 178.30 1xck h LYS 441 N 0.25 0.70 -0.46 2.37 1.79 -0.54 -0.27 116.57 120.42 1xck h LYS 441 Ca 0.08 -0.14 0.03 0.00 -2.18 0.00 0.00 60.65 58.44 1xck h LYS 441 Cb 0.13 -0.11 -0.03 0.00 -1.58 0.00 0.00 32.23 30.64 1xck h LYS 441 CO -0.01 0.66 0.25 0.28 -1.08 0.00 0.00 179.45 179.55 1xck h VAL 442 N 0.68 1.02 -0.25 0.50 2.07 0.09 -0.18 116.25 120.17 1xck h VAL 442 Ca 0.15 -0.17 -0.05 0.00 0.82 0.00 0.00 66.70 67.45 1xck h VAL 442 Cb 0.29 0.46 -0.01 0.00 -1.52 0.00 0.00 31.29 30.52 1xck h VAL 442 CO 0.00 0.09 -0.03 0.00 0.02 0.00 0.00 177.57 177.65 1xck h ALA 443 N 1.22 0.35 -0.85 1.67 0.00 -0.75 -1.33 119.26 119.56 1xck h ALA 443 Ca 0.19 -0.25 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 1xck h ALA 443 Cb 0.05 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 17.71 1xck h ALA 443 CO -0.10 0.12 0.49 -0.07 0.00 0.00 0.00 179.25 179.69 1xck h LEU 444 N 0.23 1.04 -0.27 0.00 3.38 -0.82 -1.71 115.31 117.16 1xck h LEU 444 Ca 0.07 -0.07 -0.04 0.00 0.09 0.00 0.00 57.88 57.92 1xck h LEU 444 Cb 0.48 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.96 1xck h LEU 444 CO 0.02 0.81 0.00 0.03 0.09 0.00 0.00 178.44 179.40 1xck h ARG 445 N 1.18 0.48 -0.38 1.13 3.08 -0.94 -2.81 114.38 116.12 1xck h ARG 445 Ca 0.30 -0.15 0.07 0.00 0.07 0.00 0.00 59.98 60.27 1xck h ARG 445 Cb -0.02 -0.04 -0.02 0.00 0.08 0.00 0.00 29.97 29.97 1xck h ARG 445 CO -0.05 0.64 0.26 0.00 -1.07 0.00 0.00 179.97 179.74 1xck h ALA 446 N 0.82 2.08 0.00 0.04 0.00 -0.76 -0.97 119.26 120.47 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 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.17 1xck h ALA 446 CO 0.01 -0.16 0.00 -1.33 0.00 0.00 0.00 179.25 177.78 1xck n MET 447 N -4.47 0.02 0.04 0.00 2.81 -0.69 -0.86 117.12 113.97 1xck n MET 447 Ca 0.05 0.36 0.11 0.00 -1.81 0.00 0.00 57.70 56.42 1xck n MET 447 Cb 0.29 -1.50 0.00 0.00 -0.71 0.00 0.00 33.22 31.31 1xck n MET 447 CO 0.00 0.00 0.00 0.39 1.51 0.00 0.00 175.97 177.87 1xck n GLU 448 N -1.43 0.38 -0.11 0.03 1.02 -0.37 -3.73 120.64 116.43 1xck n GLU 448 Ca 0.01 -0.00 -0.11 0.00 -0.02 0.00 0.00 57.16 57.05 1xck n GLU 448 Cb 0.05 -1.62 -0.05 0.00 -0.02 0.00 0.00 31.44 29.79 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 2.40 -0.49 -0.06 0.62 0.00 -1.11 -1.58 119.26 119.04 1xck h ALA 449 Ca 0.00 0.05 0.02 0.00 0.00 0.00 0.00 54.91 54.98 1xck h ALA 449 Cb 0.80 0.89 -0.05 0.00 0.00 0.00 0.00 17.79 19.43 1xck h ALA 449 CO 0.00 -0.89 -0.50 -1.35 0.00 0.00 0.00 179.25 176.51 1xck h PRO 450 N -0.36 -0.56 0.02 0.00 0.11 -1.79 0.99 132.00 130.41 1xck h PRO 450 Ca 0.12 0.04 0.03 0.00 0.11 0.00 0.00 66.00 66.30 1xck h PRO 450 Cb 0.59 0.13 -0.05 0.00 0.11 0.00 0.00 31.00 31.78 1xck h PRO 450 CO -0.55 -0.37 -0.34 1.25 -0.21 0.00 0.00 178.00 177.78 1xck h LEU 451 N -0.58 -1.01 -0.68 2.35 6.46 -1.72 -0.44 115.31 119.69 1xck h LEU 451 Ca 0.02 0.13 0.15 0.00 -0.12 0.00 0.00 57.88 58.05 1xck h LEU 451 Cb 0.65 0.40 -0.11 0.00 -0.73 0.00 0.00 40.66 40.87 1xck h LEU 451 CO -0.36 -0.40 0.07 0.03 -0.62 0.00 0.00 178.44 177.16 1xck h ARG 452 N -0.50 0.17 -0.27 1.25 3.08 -0.96 0.14 114.38 117.29 1xck h ARG 452 Ca 0.05 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.10 1xck h ARG 452 Cb 0.58 -0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.58 1xck h ARG 452 CO -0.27 0.11 0.17 0.37 -1.07 0.00 0.00 179.97 179.29 1xck h GLN 453 N 0.18 0.36 -0.23 0.04 5.75 0.02 0.18 115.11 121.41 1xck h GLN 453 Ca 0.37 -0.02 0.04 0.00 -0.15 0.00 0.00 58.65 58.89 1xck h GLN 453 Cb 0.62 -0.08 -0.04 0.00 1.07 0.00 0.00 27.48 29.05 1xck h GLN 453 CO -0.53 0.25 -0.03 0.82 -2.65 0.00 0.00 178.83 176.68 1xck h ILE 454 N 0.36 0.80 -0.67 2.39 2.04 0.53 0.11 117.51 123.07 1xck h ILE 454 Ca 0.10 -0.01 -0.02 0.00 1.00 0.00 0.00 64.86 65.93 1xck h ILE 454 Cb -0.03 0.76 -0.03 0.00 -0.74 0.00 0.00 36.82 36.79 1xck h ILE 454 CO -0.02 0.01 0.33 0.58 0.00 0.00 0.00 178.15 179.05 1xck h VAL 455 N 0.03 1.21 -0.28 1.67 2.07 -0.45 -2.23 116.25 118.28 1xck h VAL 455 Ca 0.11 -0.58 -0.02 0.00 0.82 0.00 0.00 66.70 67.03 1xck h VAL 455 Cb 0.16 0.34 -0.01 0.00 -1.52 0.00 0.00 31.29 30.26 1xck h VAL 455 CO -0.22 0.25 0.08 0.25 0.02 0.00 0.00 177.57 177.95 1xck h LEU 456 N 0.94 0.41 -2.40 2.57 5.85 0.22 -1.88 115.31 121.03 1xck h LEU 456 Ca 0.23 -0.22 -0.00 0.00 0.84 0.00 0.00 57.88 58.74 1xck h LEU 456 Cb 0.08 -0.11 -0.00 0.00 0.37 0.00 0.00 40.66 41.00 1xck h LEU 456 CO -0.03 0.52 -0.01 0.78 -0.34 0.00 0.00 178.44 179.36 1xck h ASN 457 N 0.28 0.00 0.60 1.25 2.35 -0.44 0.16 115.58 119.78 1xck h ASN 457 Ca 0.09 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.84 1xck h ASN 457 Cb 0.26 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.63 1xck h ASN 457 CO -0.00 0.01 -0.13 0.00 -1.65 0.00 0.00 177.43 175.66 1xck n GLY 459 N 1.38 0.39 3.84 0.00 0.00 0.04 -5.06 105.19 105.78 1xck n GLY 459 Ca 0.11 -1.00 -0.22 0.00 0.00 0.00 0.00 46.02 44.91 1xck n GLY 459 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1xck s GLU 460 N -2.83 2.44 -0.54 1.61 0.41 -0.76 -5.04 118.70 113.99 1xck s GLU 460 Ca 0.00 -1.63 -0.27 0.00 -0.41 0.00 0.00 54.97 52.66 1xck s GLU 460 Cb 0.00 -2.26 0.03 0.00 -1.78 0.00 0.00 34.13 30.13 1xck s GLU 460 CO 0.00 -0.18 1.08 -1.21 -0.49 0.00 0.00 175.26 174.46 1xck s GLU 461 N -4.07 3.50 0.19 1.61 2.02 -1.26 -4.32 118.70 116.38 1xck s GLU 461 Ca 0.46 0.16 -0.18 0.00 0.02 0.00 0.00 54.97 55.43 1xck s GLU 461 Cb -0.01 -3.99 0.15 0.00 0.10 0.00 0.00 34.13 30.37 1xck s GLU 461 CO 0.26 -1.51 1.62 -1.35 0.02 0.00 0.00 175.26 174.30 1xck h PRO 462 N 9.36 -0.10 -0.39 0.39 0.11 -1.86 -1.52 132.00 138.00 1xck h PRO 462 Ca -0.25 0.01 0.03 0.00 0.11 0.00 0.00 66.00 65.90 1xck h PRO 462 Cb 1.06 0.02 -0.02 0.00 0.11 0.00 0.00 31.00 32.18 1xck h PRO 462 CO 1.13 -0.06 0.26 0.66 -0.21 0.00 0.00 178.00 179.77 1xck h SER 463 N -0.10 0.37 0.06 -2.05 4.64 -1.94 0.24 113.55 114.76 1xck h SER 463 Ca 0.24 -0.01 -0.00 0.00 -0.47 0.00 0.00 61.79 61.55 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 -0.57 0.26 -0.03 0.58 -0.87 0.00 0.00 176.83 176.19 1xck h VAL 464 N 0.43 1.27 -0.12 0.95 2.07 -1.71 -1.44 116.25 117.69 1xck h VAL 464 Ca 0.16 -1.35 0.01 0.00 0.82 0.00 0.00 66.70 66.33 1xck h VAL 464 Cb 0.10 2.12 -0.01 0.00 -1.52 0.00 0.00 31.29 31.98 1xck h VAL 464 CO -0.04 0.32 0.07 0.58 0.02 0.00 0.00 177.57 178.52 1xck h VAL 465 N -0.71 1.01 -0.39 2.57 2.07 -1.19 -1.42 116.25 118.19 1xck h VAL 465 Ca -0.01 -0.05 0.08 0.00 0.82 0.00 0.00 66.70 67.55 1xck h VAL 465 Cb 0.59 0.85 -0.08 0.00 -1.52 0.00 0.00 31.29 31.14 1xck h VAL 465 CO 0.01 0.03 -0.15 0.00 0.02 0.00 0.00 177.57 177.48 1xck h ALA 466 N 1.06 0.17 -0.61 1.67 0.00 -0.60 0.00 119.26 120.94 1xck h ALA 466 Ca 0.05 0.15 0.05 0.00 0.00 0.00 0.00 54.91 55.16 1xck h ALA 466 Cb -0.00 0.40 -0.05 0.00 0.00 0.00 0.00 17.79 18.13 1xck h ALA 466 CO -0.03 -0.51 0.33 -0.97 0.00 0.00 0.00 179.25 178.07 1xck h ASN 467 N -0.07 0.49 0.05 0.00 -1.24 -0.91 -1.50 115.58 112.40 1xck h ASN 467 Ca 0.19 0.03 -0.00 0.00 0.71 0.00 0.00 56.30 57.23 1xck h ASN 467 Cb 0.37 -0.07 0.00 0.00 0.73 0.00 0.00 38.32 39.35 1xck h ASN 467 CO -0.44 0.32 -0.02 0.74 -1.29 0.00 0.00 177.43 176.74 1xck h THR 468 N 0.63 1.13 -0.84 -3.57 2.02 -0.32 -2.66 112.91 109.31 1xck h THR 468 Ca 0.27 -0.60 0.10 0.00 0.77 0.00 0.00 66.41 66.95 1xck h THR 468 Cb 0.17 1.53 -0.08 0.00 -1.74 0.00 0.00 68.15 68.03 1xck h THR 468 CO -0.17 0.15 0.48 0.58 0.37 0.00 0.00 175.52 176.92 1xck h VAL 469 N -0.34 0.88 -0.85 3.16 2.07 -0.82 -0.41 116.25 119.95 1xck h VAL 469 Ca -0.01 -0.27 0.01 0.00 0.82 0.00 0.00 66.70 67.25 1xck h VAL 469 Cb 0.30 0.04 -0.04 0.00 -1.52 0.00 0.00 31.29 30.07 1xck h VAL 469 CO 0.01 0.14 0.56 0.11 0.02 0.00 0.00 177.57 178.41 1xck h LYS 470 N 0.78 1.12 0.00 1.57 1.57 -1.20 -2.12 116.57 118.28 1xck h LYS 470 Ca 0.41 -0.07 -0.00 0.00 -1.87 0.00 0.00 60.65 59.12 1xck h LYS 470 Cb 0.42 -0.25 -0.00 0.00 0.08 0.00 0.00 32.23 32.48 1xck h LYS 470 CO -0.27 0.74 -0.01 0.78 -0.57 0.00 0.00 179.45 180.13 1xck h GLY 471 N 1.15 0.00 0.00 3.86 0.00 -0.71 -3.44 103.07 103.94 1xck h GLY 471 Ca 0.31 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.64 1xck h GLY 471 CO -0.07 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.08 1xck n GLY 472 N -0.84 0.07 3.21 4.60 0.00 -0.80 -5.12 105.19 106.31 1xck n GLY 472 Ca -0.02 -1.76 -0.12 0.00 0.00 0.00 0.00 46.02 44.11 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 0.25 0.51 1.61 1.01 -1.26 -5.03 116.67 112.76 1xck s ASP 473 Ca 0.00 -1.38 0.00 0.00 0.71 0.00 0.00 52.55 51.88 1xck s ASP 473 Cb 0.00 0.36 0.00 0.00 1.01 0.00 0.00 42.92 44.29 1xck s ASP 473 CO 0.00 -0.82 0.00 0.61 0.21 0.00 0.00 175.17 175.17 1xck n GLY 474 N -0.27 2.82 2.02 0.21 0.00 -1.26 -0.94 105.19 107.76 1xck n GLY 474 Ca 0.01 0.01 -0.21 0.00 0.00 0.00 0.00 46.02 45.84 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 2.14 4.27 -4.73 1.61 4.13 -1.26 -4.92 115.26 116.50 1xck n ASN 475 Ca 0.00 -3.33 -0.41 0.00 1.68 0.00 0.00 54.58 52.51 1xck n ASN 475 Cb 0.00 -0.82 -0.04 0.00 -1.54 0.00 0.00 39.78 37.38 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 -2.73 3.75 0.05 3.10 5.04 -0.12 0.16 117.35 126.60 1xck s TYR 476 Ca 0.47 1.74 -0.06 0.00 -2.44 0.00 0.00 57.07 56.78 1xck s TYR 476 Cb 0.39 -3.12 0.02 0.00 0.35 0.00 0.00 41.96 39.60 1xck s TYR 476 CO 0.07 -0.03 0.27 0.41 -1.34 0.00 0.00 175.55 174.93 1xck n GLY 477 N 2.28 1.12 3.73 8.97 0.00 0.48 -4.73 105.19 117.04 1xck n GLY 477 Ca 0.03 -0.98 -0.36 0.00 0.00 0.00 0.00 46.02 44.71 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 -4.99 3.43 -0.85 1.61 5.04 -1.26 -1.46 117.35 118.87 1xck s TYR 478 Ca 0.06 0.47 -0.17 0.00 -2.44 0.00 0.00 57.07 54.99 1xck s TYR 478 Cb -0.01 -2.26 0.16 0.00 0.35 0.00 0.00 41.96 40.20 1xck s TYR 478 CO 0.01 0.25 0.93 1.21 -1.34 0.00 0.00 175.55 176.62 1xck s ASN 479 N 0.45 6.63 0.48 4.32 3.84 -0.18 -4.90 114.94 125.57 1xck s ASN 479 Ca 0.13 -2.23 0.29 0.00 0.21 0.00 0.00 52.86 51.26 1xck s ASN 479 Cb -0.12 -2.31 1.36 0.00 -0.55 0.00 0.00 41.25 39.63 1xck s ASN 479 CO 0.01 -0.87 1.79 0.00 -2.79 0.00 0.00 177.10 175.24 1xck h ALA 480 N 8.45 2.73 -0.42 1.71 0.00 -1.94 0.44 119.26 130.22 1xck h ALA 480 Ca 0.08 0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.92 1xck h ALA 480 Cb 1.04 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.88 1xck h ALA 480 CO 0.96 -1.09 -0.05 0.00 0.00 0.00 0.00 179.25 179.08 1xck h ALA 481 N 1.51 0.57 -0.02 0.00 0.00 -1.96 -3.29 119.26 116.08 1xck h ALA 481 Ca 0.57 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 55.19 1xck h ALA 481 Cb 1.91 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 19.55 1xck h ALA 481 CO -0.14 0.40 -0.02 0.25 0.00 0.00 0.00 179.25 179.75 1xck n THR 482 N -4.37 0.00 -2.02 0.00 -2.24 -0.56 -4.98 114.28 100.12 1xck n THR 482 Ca -0.01 -0.49 -0.20 0.00 -2.27 0.00 0.00 64.05 61.08 1xck n THR 482 Cb 0.33 1.30 -0.05 0.00 -2.10 0.00 0.00 70.33 69.81 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 0.76 -1.60 -4.88 -0.78 1.02 0.14 -4.97 120.64 110.34 1xck n GLU 483 Ca 0.08 1.08 -0.33 0.00 -0.02 0.00 0.00 57.16 57.98 1xck n GLU 483 Cb 0.36 -5.61 -0.14 0.00 -0.02 0.00 0.00 31.44 26.04 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 -4.42 2.73 0.48 3.49 0.41 -1.20 -4.90 118.70 115.29 1xck s GLU 484 Ca 0.00 -0.70 -0.06 0.00 -0.41 0.00 0.00 54.97 53.80 1xck s GLU 484 Cb 0.00 -2.43 -0.04 0.00 -1.78 0.00 0.00 34.13 29.88 1xck s GLU 484 CO 0.00 0.51 0.79 0.71 -0.49 0.00 0.00 175.26 176.78 1xck s TYR 485 N -0.44 3.56 -5.00 1.61 1.51 -1.26 -1.01 117.35 116.32 1xck s TYR 485 Ca 0.05 0.85 0.00 0.00 -1.01 0.00 0.00 57.07 56.96 1xck s TYR 485 Cb -0.12 -2.32 0.00 0.00 -0.11 0.00 0.00 41.96 39.40 1xck s TYR 485 CO 0.02 -0.27 0.00 0.41 -1.11 0.00 0.00 175.55 174.60 1xck n GLY 486 N -2.19 -0.64 3.60 0.71 0.00 -0.54 -4.93 105.19 101.21 1xck n GLY 486 Ca 0.01 -1.21 -0.43 0.00 0.00 0.00 0.00 46.02 44.39 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 6.69 0.28 1.61 3.84 -1.26 -0.39 114.94 121.70 1xck s ASN 487 Ca 0.00 0.56 0.01 0.00 0.21 0.00 0.00 52.86 53.64 1xck s ASN 487 Cb 0.00 -2.52 0.57 0.00 -0.55 0.00 0.00 41.25 38.74 1xck s ASN 487 CO 0.00 -1.09 1.81 0.24 -2.79 0.00 0.00 177.10 175.27 1xck h MET 488 N 8.85 0.84 -0.16 0.43 2.86 -0.58 -0.27 114.93 126.90 1xck h MET 488 Ca -0.23 -0.05 -0.05 0.00 -2.06 0.00 0.00 59.70 57.32 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 -0.08 0.82 1.06 0.00 0.00 176.91 180.34 1xck h ILE 489 N 0.87 1.31 -0.60 -1.22 1.08 -1.76 0.68 117.51 117.87 1xck h ILE 489 Ca 0.50 -1.11 0.05 0.00 -0.39 0.00 0.00 64.86 63.90 1xck h ILE 489 Cb 0.58 1.70 -0.05 0.00 -3.07 0.00 0.00 36.82 35.98 1xck h ILE 489 CO -0.30 0.33 0.32 0.44 -0.69 0.00 0.00 178.15 178.25 1xck h ASP 490 N 0.02 0.48 0.00 1.72 3.32 -1.79 0.91 116.42 121.07 1xck h ASP 490 Ca 0.04 0.03 0.00 0.00 0.02 0.00 0.00 57.03 57.11 1xck h ASP 490 Cb 0.55 -0.07 0.00 0.00 0.22 0.00 0.00 39.33 40.03 1xck h ASP 490 CO 0.02 0.32 0.00 0.23 -1.72 0.00 0.00 179.24 178.09 1xck n MET 491 N -4.82 0.57 -1.93 3.56 2.81 -0.16 -4.85 117.12 112.29 1xck n MET 491 Ca 0.07 0.00 -0.10 0.00 -1.81 0.00 0.00 57.70 55.86 1xck n MET 491 Cb 0.15 -1.41 -0.01 0.00 -0.71 0.00 0.00 33.22 31.23 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 0.13 0.29 3.04 3.03 0.00 0.31 -4.99 105.19 107.00 1xck n GLY 492 Ca 0.11 -0.51 -0.34 0.00 0.00 0.00 0.00 46.02 45.29 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 -2.45 3.15 0.32 -0.61 1.01 0.19 -5.02 121.20 117.79 1xck s ILE 493 Ca 0.00 -2.97 0.03 0.00 0.00 0.00 0.00 60.65 57.71 1xck s ILE 493 Cb 0.00 -3.12 -0.04 0.00 0.01 0.00 0.00 42.46 39.31 1xck s ILE 493 CO 0.00 -0.81 0.14 -1.48 0.00 0.00 0.00 174.94 172.79 1xck s LEU 494 N 0.03 1.76 -0.01 2.97 0.05 -1.26 -0.20 118.68 122.01 1xck s LEU 494 Ca 0.16 -1.54 -0.02 0.00 0.05 0.00 0.00 54.13 52.78 1xck s LEU 494 Cb -0.22 0.09 0.00 0.00 -2.05 0.00 0.00 46.19 44.01 1xck s LEU 494 CO -0.03 -0.86 0.04 -1.81 -0.55 0.00 0.00 176.35 173.15 1xck s ASP 495 N -3.41 -0.01 0.26 1.48 1.01 -0.41 -4.51 116.67 111.07 1xck s ASP 495 Ca 0.34 0.01 -0.30 0.00 0.71 0.00 0.00 52.55 53.31 1xck s ASP 495 Cb 0.05 0.10 -0.11 0.00 1.01 0.00 0.00 42.92 43.98 1xck s ASP 495 CO 0.17 -0.07 1.57 -2.84 0.21 0.00 0.00 175.17 174.21 1xck s PRO 496 N -0.23 4.17 0.47 8.23 0.02 -1.26 -1.44 135.00 144.96 1xck s PRO 496 Ca -0.03 2.49 0.24 0.00 0.02 0.00 0.00 61.00 63.73 1xck s PRO 496 Cb -0.02 -3.06 1.26 0.00 0.02 0.00 0.00 34.50 32.70 1xck s PRO 496 CO 0.00 -0.59 1.85 1.15 -0.33 0.00 0.00 177.00 179.08 1xck h THR 497 N 3.54 0.59 -0.92 0.99 2.02 -1.15 0.10 112.91 118.09 1xck h THR 497 Ca -0.46 -0.08 0.01 0.00 0.77 0.00 0.00 66.41 66.65 1xck h THR 497 Cb 1.22 0.34 -0.05 0.00 -1.74 0.00 0.00 68.15 67.92 1xck h THR 497 CO 0.82 0.04 0.60 0.50 0.37 0.00 0.00 175.52 177.86 1xck h LYS 498 N 0.23 1.21 -0.19 6.66 3.64 -1.81 0.18 116.57 126.49 1xck h LYS 498 Ca 0.48 -0.08 -0.20 0.00 -1.27 0.00 0.00 60.65 59.58 1xck h LYS 498 Cb 1.48 -0.27 0.00 0.00 -0.41 0.00 0.00 32.23 33.03 1xck h LYS 498 CO -0.12 0.81 -0.67 -0.39 -2.27 0.00 0.00 179.45 176.81 1xck h VAL 499 N 1.25 1.30 -0.36 2.00 -1.51 -1.29 -0.82 116.25 116.82 1xck h VAL 499 Ca 0.34 -1.90 -0.06 0.00 -1.23 0.00 0.00 66.70 63.85 1xck h VAL 499 Cb -0.14 1.86 -0.01 0.00 -2.13 0.00 0.00 31.29 30.87 1xck h VAL 499 CO -0.07 0.60 -0.02 0.74 -1.23 0.00 0.00 177.57 177.59 1xck h THR 500 N 0.53 1.26 -0.44 7.19 2.02 -1.33 0.07 112.91 122.21 1xck h THR 500 Ca -0.02 -1.01 0.02 0.00 0.77 0.00 0.00 66.41 66.16 1xck h THR 500 Cb 1.27 1.21 -0.03 0.00 -1.74 0.00 0.00 68.15 68.87 1xck h THR 500 CO 0.14 0.34 0.26 -0.09 0.37 0.00 0.00 175.52 176.53 1xck h ARG 501 N 0.45 0.51 -0.26 6.66 2.43 -0.93 -2.15 114.38 121.08 1xck h ARG 501 Ca 0.10 -0.03 -0.01 0.00 -0.81 0.00 0.00 59.98 59.22 1xck h ARG 501 Cb 0.48 -0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 29.91 1xck h ARG 501 CO 0.02 0.34 0.11 0.77 -1.51 0.00 0.00 179.97 179.70 1xck h SER 502 N 0.52 0.36 -0.65 -3.80 0.02 -0.97 -1.54 113.55 107.49 1xck h SER 502 Ca 0.17 -0.16 0.06 0.00 -0.84 0.00 0.00 61.79 61.02 1xck h SER 502 Cb 0.01 -0.09 -0.05 0.00 0.14 0.00 0.00 62.40 62.40 1xck h SER 502 CO -0.08 0.42 0.36 0.00 -1.14 0.00 0.00 176.83 176.39 1xck h ALA 503 N 0.95 0.87 0.15 3.77 0.00 -0.85 -0.61 119.26 123.54 1xck h ALA 503 Ca 0.09 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 1xck h ALA 503 Cb 0.17 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.84 1xck h ALA 503 CO -0.01 0.03 -0.07 1.25 0.00 0.00 0.00 179.25 180.45 1xck h LEU 504 N 0.66 -0.17 -0.80 0.00 5.85 -1.23 -1.89 115.31 117.74 1xck h LEU 504 Ca 0.29 -0.24 0.01 0.00 0.84 0.00 0.00 57.88 58.78 1xck h LEU 504 Cb 0.18 0.04 -0.04 0.00 0.37 0.00 0.00 40.66 41.22 1xck h LEU 504 CO -0.18 0.16 0.53 1.56 -0.34 0.00 0.00 178.44 180.16 1xck h GLN 505 N -0.52 1.04 -0.31 1.25 4.20 -1.10 -0.25 115.11 119.42 1xck h GLN 505 Ca -0.02 -0.06 -0.10 0.00 0.06 0.00 0.00 58.65 58.52 1xck h GLN 505 Cb 0.40 -0.23 -0.01 0.00 0.30 0.00 0.00 27.48 27.94 1xck h GLN 505 CO 0.03 0.69 -0.22 1.88 -0.67 0.00 0.00 178.83 180.54 1xck h TYR 506 N 1.07 0.81 0.16 2.96 0.05 -1.16 -0.47 116.97 120.39 1xck h TYR 506 Ca 0.30 -0.22 -0.00 0.00 0.05 0.00 0.00 58.73 58.85 1xck h TYR 506 Cb -0.11 -0.18 -0.01 0.00 1.01 0.00 0.00 36.73 37.45 1xck h TYR 506 CO -0.02 0.94 -0.13 0.00 -1.05 0.00 0.00 178.16 177.91 1xck h ALA 507 N 0.74 -0.27 -0.77 3.88 0.00 -1.15 -2.16 119.26 119.52 1xck h ALA 507 Ca 0.06 -0.05 0.06 0.00 0.00 0.00 0.00 54.91 54.98 1xck h ALA 507 Cb 0.77 0.17 -0.05 0.00 0.00 0.00 0.00 17.79 18.68 1xck h ALA 507 CO 0.06 -0.67 0.51 0.00 0.00 0.00 0.00 179.25 179.15 1xck h ALA 508 N 0.53 1.62 0.62 0.00 0.00 -0.99 -1.06 119.26 119.98 1xck h ALA 508 Ca -0.01 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.85 1xck h ALA 508 Cb 0.27 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 17.82 1xck h ALA 508 CO -0.01 0.27 -0.37 1.03 0.00 0.00 0.00 179.25 180.17 1xck h SER 509 N 0.86 -0.92 -0.04 0.00 0.87 -0.47 0.97 113.55 114.82 1xck h SER 509 Ca 0.33 0.05 -0.08 0.00 -1.23 0.00 0.00 61.79 60.86 1xck h SER 509 Cb 0.19 0.27 -0.01 0.00 -0.44 0.00 0.00 62.40 62.40 1xck h SER 509 CO -0.11 -0.58 -0.21 1.62 -0.53 0.00 0.00 176.83 177.02 1xck h VAL 510 N -0.93 1.25 -0.48 2.23 3.04 -1.18 -2.32 116.25 117.85 1xck h VAL 510 Ca -0.08 -1.14 -0.04 0.00 -1.01 0.00 0.00 66.70 64.43 1xck h VAL 510 Cb 0.75 1.29 -0.02 0.00 -2.01 0.00 0.00 31.29 31.31 1xck h VAL 510 CO 0.09 0.36 0.13 0.00 -1.01 0.00 0.00 177.57 177.14 1xck h ALA 511 N 1.41 0.63 -0.92 3.17 0.00 -1.02 -1.33 119.26 121.19 1xck h ALA 511 Ca 0.06 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.78 1xck h ALA 511 Cb 0.58 -0.18 -0.05 0.00 0.00 0.00 0.00 17.79 18.14 1xck h ALA 511 CO 0.04 0.31 0.59 0.78 0.00 0.00 0.00 179.25 180.97 1xck h GLY 512 N 0.65 1.31 0.97 0.00 0.00 -0.53 -0.78 103.07 104.69 1xck h GLY 512 Ca 0.15 -0.51 -0.05 0.00 0.00 0.00 0.00 47.33 46.93 1xck h GLY 512 CO -0.00 0.50 0.12 1.41 0.00 0.00 0.00 176.54 178.56 1xck h LEU 513 N 1.26 0.73 -0.29 3.11 3.38 -1.00 -2.62 115.31 119.87 1xck h LEU 513 Ca 0.34 -0.23 -0.07 0.00 0.09 0.00 0.00 57.88 58.00 1xck h LEU 513 Cb -0.11 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.43 1xck h LEU 513 CO -0.07 0.77 -0.08 0.24 0.09 0.00 0.00 178.44 179.39 1xck h MET 514 N 0.65 0.57 -0.60 1.13 2.86 -1.00 -2.75 114.93 115.79 1xck h MET 514 Ca 0.15 -0.23 0.11 0.00 -2.06 0.00 0.00 59.70 57.68 1xck h MET 514 Cb 0.33 -0.03 -0.04 0.00 0.06 0.00 0.00 31.60 31.92 1xck h MET 514 CO 0.00 0.78 0.40 0.82 1.06 0.00 0.00 176.91 179.97 1xck h ILE 515 N 0.34 0.85 -0.94 -1.22 2.04 -1.08 -0.78 117.51 116.71 1xck h ILE 515 Ca 0.07 -0.11 -0.47 0.00 1.00 0.00 0.00 64.86 65.35 1xck h ILE 515 Cb 0.57 0.50 -0.28 0.00 -0.74 0.00 0.00 36.82 36.87 1xck h ILE 515 CO 0.03 0.06 0.59 0.35 0.00 0.00 0.00 178.15 179.18 1xck n THR 516 N -4.46 3.11 -3.84 -0.27 -2.24 -0.99 -4.82 114.28 100.77 1xck n THR 516 Ca 0.10 -1.83 -0.36 0.00 -2.27 0.00 0.00 64.05 59.70 1xck n THR 516 Cb 0.43 -0.47 -0.08 0.00 -2.10 0.00 0.00 70.33 68.12 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 -3.17 5.31 -0.00 4.28 2.01 -0.30 -4.97 115.64 118.80 1xck s THR 517 Ca 0.55 0.15 0.03 0.00 0.31 0.00 0.00 61.69 62.73 1xck s THR 517 Cb 0.46 -3.38 -0.04 0.00 0.01 0.00 0.00 72.50 69.55 1xck s THR 517 CO 0.11 0.51 0.05 -0.62 -0.69 0.00 0.00 174.62 173.98 1xck n GLU 518 N 2.99 0.17 -3.90 4.92 -0.58 -1.26 -4.81 120.64 118.17 1xck n GLU 518 Ca -0.17 -0.02 -0.11 0.00 -0.42 0.00 0.00 57.16 56.43 1xck n GLU 518 Cb 0.53 -1.06 -0.11 0.00 -0.57 0.00 0.00 31.44 30.23 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 -0.94 0.59 -0.09 0.00 -1.94 -0.15 -5.00 119.30 111.78 1xck s MET 520 Ca -0.10 -0.07 0.03 0.00 -1.71 0.00 0.00 55.69 53.84 1xck s MET 520 Cb -0.06 -0.64 0.00 0.00 2.01 0.00 0.00 34.83 36.14 1xck s MET 520 CO 0.00 -0.06 -0.21 0.08 -0.01 0.00 0.00 175.02 174.83 1xck s VAL 521 N 0.73 1.81 0.27 -6.03 1.01 -1.26 -1.26 120.40 115.67 1xck s VAL 521 Ca -0.09 -0.87 -0.10 0.00 0.00 0.00 0.00 61.98 60.92 1xck s VAL 521 Cb -0.12 -1.58 -0.00 0.00 0.00 0.00 0.00 36.38 34.67 1xck s VAL 521 CO -0.00 0.50 0.47 0.28 0.00 0.00 0.00 175.10 176.35 1xck s THR 522 N 0.47 0.00 0.64 3.92 -1.32 -0.84 -4.97 115.64 113.54 1xck s THR 522 Ca -0.17 -1.46 -0.15 0.00 -1.21 0.00 0.00 61.69 58.71 1xck s THR 522 Cb -0.17 -2.33 -0.01 0.00 -1.51 0.00 0.00 72.50 68.47 1xck s THR 522 CO 0.07 0.00 1.08 -1.81 -2.21 0.00 0.00 174.62 171.75 1xck s ASP 523 N -3.07 5.40 0.19 8.08 1.01 -1.26 0.44 116.67 127.45 1xck s ASP 523 Ca 0.24 1.89 -0.30 0.00 0.71 0.00 0.00 52.55 55.09 1xck s ASP 523 Cb -0.00 -2.54 -0.08 0.00 1.01 0.00 0.00 42.92 41.31 1xck s ASP 523 CO 0.11 -1.43 1.14 -0.22 0.21 0.00 0.00 175.17 174.98 1xck s LEU 524 N -4.79 4.47 0.00 1.23 2.96 -1.18 -4.50 118.68 116.88 1xck s LEU 524 Ca 0.65 2.16 0.00 0.00 -0.22 0.00 0.00 54.13 56.72 1xck s LEU 524 Cb -0.18 -3.61 0.00 0.00 0.50 0.00 0.00 46.19 42.90 1xck s LEU 524 CO 0.41 -0.28 0.40 -0.81 -1.32 0.00 0.00 176.35 174.75