#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 1.04 -2.39 0.00 0.00 -1.26 -4.95 120.51 112.95 1xck n ALA 3 Ca 0.00 0.41 -0.21 0.00 0.00 0.00 0.00 53.44 53.64 1xck n ALA 3 Cb 0.00 -2.26 -0.04 0.00 0.00 0.00 0.00 19.45 17.15 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 -0.43 2.59 -0.20 0.00 -0.14 -1.26 -3.18 119.74 117.11 1xck s LYS 4 Ca 0.68 -1.44 0.00 0.00 -1.36 0.00 0.00 55.97 53.86 1xck s LYS 4 Cb -0.66 -2.39 0.02 0.00 -1.68 0.00 0.00 37.83 33.13 1xck s LYS 4 CO 0.50 -0.03 -0.15 0.34 -0.76 0.00 0.00 175.35 175.25 1xck s ASP 5 N -4.03 3.60 -0.15 2.83 2.15 0.16 -4.75 116.67 116.48 1xck s ASP 5 Ca 0.43 -0.76 -0.02 0.00 0.43 0.00 0.00 52.55 52.64 1xck s ASP 5 Cb -0.04 -1.54 -0.02 0.00 -0.30 0.00 0.00 42.92 41.02 1xck s ASP 5 CO 0.26 -0.05 -0.08 -0.69 -0.17 0.00 0.00 175.17 174.44 1xck s VAL 6 N 1.29 3.40 0.08 1.11 1.01 -1.26 -1.95 120.40 124.07 1xck s VAL 6 Ca 0.02 -0.53 0.10 0.00 0.00 0.00 0.00 61.98 61.57 1xck s VAL 6 Cb -0.15 -2.47 -0.03 0.00 0.00 0.00 0.00 36.38 33.73 1xck s VAL 6 CO -0.10 0.50 -0.26 -0.54 0.00 0.00 0.00 175.10 174.70 1xck s LYS 7 N 0.50 1.61 0.32 2.72 1.02 -0.32 -4.98 119.74 120.60 1xck s LYS 7 Ca -0.06 -1.20 0.09 0.00 0.02 0.00 0.00 55.97 54.81 1xck s LYS 7 Cb -0.15 -1.91 -0.06 0.00 -0.52 0.00 0.00 37.83 35.19 1xck s LYS 7 CO 0.04 0.48 -0.09 -0.06 -0.92 0.00 0.00 175.35 174.79 1xck s PHE 8 N -0.92 2.27 0.00 3.18 0.08 -1.26 -0.77 117.98 120.56 1xck s PHE 8 Ca 0.12 -0.54 0.00 0.00 0.12 0.00 0.00 56.93 56.63 1xck s PHE 8 Cb -0.10 -1.28 0.00 0.00 -0.57 0.00 0.00 43.02 41.07 1xck s PHE 8 CO 0.04 0.51 0.00 0.41 -0.10 0.00 0.00 175.22 176.07 1xck n GLY 9 N -0.72 1.07 0.27 4.36 0.00 0.14 -2.14 105.19 108.16 1xck n GLY 9 Ca -0.05 -0.06 0.06 0.00 0.00 0.00 0.00 46.02 45.97 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 0.04 -1.00 1.61 -0.73 -1.93 -0.25 115.58 113.33 1xck h ASN 10 Ca 0.00 0.15 0.12 0.00 1.87 0.00 0.00 56.30 58.43 1xck h ASN 10 Cb 0.00 0.19 -0.08 0.00 0.27 0.00 0.00 38.32 38.70 1xck h ASN 10 CO 0.00 -0.03 0.63 -0.78 -0.37 0.00 0.00 177.43 176.88 1xck h ASP 11 N 0.28 0.92 -0.10 1.15 3.58 -1.89 -1.01 116.42 119.35 1xck h ASP 11 Ca 0.43 0.04 -0.05 0.00 0.42 0.00 0.00 57.03 57.88 1xck h ASP 11 Cb 0.74 -0.14 -0.00 0.00 1.72 0.00 0.00 39.33 41.65 1xck h ASP 11 CO -0.51 0.50 -0.13 0.00 -2.88 0.00 0.00 179.24 176.22 1xck h ALA 12 N 1.54 0.15 -0.53 -0.78 0.00 -0.55 -3.21 119.26 115.88 1xck h ALA 12 Ca 0.49 -0.32 -0.02 0.00 0.00 0.00 0.00 54.91 55.06 1xck h ALA 12 Cb 0.48 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.21 1xck h ALA 12 CO -0.25 0.02 0.26 0.00 0.00 0.00 0.00 179.25 179.28 1xck h ARG 13 N -0.15 0.74 -0.41 0.00 3.08 -0.57 -1.98 114.38 115.09 1xck h ARG 13 Ca 0.01 -0.09 -0.11 0.00 0.07 0.00 0.00 59.98 59.87 1xck h ARG 13 Cb 0.67 -0.15 -0.02 0.00 0.08 0.00 0.00 29.97 30.55 1xck h ARG 13 CO 0.03 0.57 -0.18 -0.39 -1.07 0.00 0.00 179.97 178.94 1xck h VAL 14 N 0.75 1.27 -0.46 2.04 -1.51 -1.28 -1.34 116.25 115.71 1xck h VAL 14 Ca 0.19 -1.27 0.02 0.00 -1.23 0.00 0.00 66.70 64.41 1xck h VAL 14 Cb 0.07 1.14 -0.03 0.00 -2.13 0.00 0.00 31.29 30.34 1xck h VAL 14 CO -0.03 0.43 0.27 0.11 -1.23 0.00 0.00 177.57 177.13 1xck h LYS 15 N 0.69 0.53 0.18 5.19 1.79 -1.40 0.19 116.57 123.74 1xck h LYS 15 Ca 0.10 -0.03 -0.01 0.00 -2.18 0.00 0.00 60.65 58.53 1xck h LYS 15 Cb 0.68 -0.12 0.00 0.00 -1.58 0.00 0.00 32.23 31.21 1xck h LYS 15 CO 0.05 0.35 -0.09 0.52 -1.08 0.00 0.00 179.45 179.21 1xck h MET 16 N 0.55 -0.24 -0.20 3.15 2.86 -1.13 -1.51 114.93 118.41 1xck h MET 16 Ca 0.18 0.02 0.06 0.00 -2.06 0.00 0.00 59.70 57.90 1xck h MET 16 Cb 0.01 0.05 -0.06 0.00 0.06 0.00 0.00 31.60 31.66 1xck h MET 16 CO -0.08 -0.06 -0.24 1.25 1.06 0.00 0.00 176.91 178.84 1xck h LEU 17 N -0.37 -0.76 -0.89 1.22 5.85 -0.98 0.13 115.31 119.51 1xck h LEU 17 Ca -0.03 0.13 0.19 0.00 0.84 0.00 0.00 57.88 59.02 1xck h LEU 17 Cb 0.29 0.35 -0.11 0.00 0.37 0.00 0.00 40.66 41.55 1xck h LEU 17 CO 0.04 -0.28 0.44 -0.09 -0.34 0.00 0.00 178.44 178.21 1xck h ARG 18 N -0.27 0.50 -0.26 1.25 9.65 -0.51 0.20 114.38 124.95 1xck h ARG 18 Ca 0.12 -0.03 -0.10 0.00 -1.10 0.00 0.00 59.98 58.87 1xck h ARG 18 Cb 0.45 -0.11 -0.00 0.00 -1.39 0.00 0.00 29.97 28.92 1xck h ARG 18 CO -0.35 0.33 -0.25 0.78 2.80 0.00 0.00 179.97 183.28 1xck h GLY 19 N 0.52 0.68 2.00 2.80 0.00 0.04 -2.86 103.07 106.25 1xck h GLY 19 Ca 0.53 -0.69 -0.01 0.00 0.00 0.00 0.00 47.33 47.16 1xck h GLY 19 CO -0.45 0.62 -0.05 -0.39 0.00 0.00 0.00 176.54 176.27 1xck h VAL 20 N 0.34 0.12 -0.27 4.60 -1.51 0.53 -2.69 116.25 117.37 1xck h VAL 20 Ca 0.04 -0.70 -0.13 0.00 -1.23 0.00 0.00 66.70 64.68 1xck h VAL 20 Cb 0.81 1.63 -0.01 0.00 -2.13 0.00 0.00 31.29 31.58 1xck h VAL 20 CO 0.06 0.05 -0.38 0.78 -1.23 0.00 0.00 177.57 176.85 1xck h ASN 21 N 0.00 0.66 -0.25 4.19 2.35 -0.49 0.15 115.58 122.19 1xck h ASN 21 Ca -0.00 -0.28 -0.05 0.00 -0.55 0.00 0.00 56.30 55.42 1xck h ASN 21 Cb 0.62 -0.18 -0.01 0.00 0.05 0.00 0.00 38.32 38.80 1xck h ASN 21 CO 0.01 0.97 -0.02 0.58 -1.65 0.00 0.00 177.43 177.31 1xck h VAL 22 N 0.52 1.27 0.39 2.81 2.07 -1.26 0.42 116.25 122.46 1xck h VAL 22 Ca 0.05 -0.97 -0.02 0.00 0.82 0.00 0.00 66.70 66.58 1xck h VAL 22 Cb 0.88 1.40 0.00 0.00 -1.52 0.00 0.00 31.29 32.06 1xck h VAL 22 CO 0.08 0.30 -0.19 0.25 0.02 0.00 0.00 177.57 178.03 1xck h LEU 23 N 0.22 -0.44 -0.27 2.57 5.85 -1.34 -1.74 115.31 120.16 1xck h LEU 23 Ca 0.07 0.02 -0.00 0.00 0.84 0.00 0.00 57.88 58.80 1xck h LEU 23 Cb 0.46 0.11 -0.01 0.00 0.37 0.00 0.00 40.66 41.59 1xck h LEU 23 CO 0.02 -0.32 0.16 0.00 -0.34 0.00 0.00 178.44 177.96 1xck h ALA 24 N 0.10 0.34 -0.75 1.25 0.00 -0.70 -1.74 119.26 117.77 1xck h ALA 24 Ca -0.05 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.80 1xck h ALA 24 Cb 0.40 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 18.05 1xck h ALA 24 CO 0.09 -0.15 0.42 -0.44 0.00 0.00 0.00 179.25 179.17 1xck h ASP 25 N 0.34 0.91 -0.32 0.00 3.32 -0.87 0.37 116.42 120.17 1xck h ASP 25 Ca 0.10 -0.06 -0.14 0.00 0.02 0.00 0.00 57.03 56.94 1xck h ASP 25 Cb 0.02 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 39.33 1xck h ASP 25 CO -0.02 0.72 -0.34 0.00 -1.72 0.00 0.00 179.24 177.89 1xck h ALA 26 N 1.43 0.69 0.23 3.45 0.00 -1.10 -3.32 119.26 120.64 1xck h ALA 26 Ca 0.27 -0.43 -0.30 0.00 0.00 0.00 0.00 54.91 54.45 1xck h ALA 26 Cb -0.00 -0.13 0.03 0.00 0.00 0.00 0.00 17.79 17.69 1xck h ALA 26 CO -0.05 0.67 -1.32 0.28 0.00 0.00 0.00 179.25 178.83 1xck h VAL 27 N 0.71 1.33 0.00 0.00 2.07 -0.86 -3.36 116.25 116.14 1xck h VAL 27 Ca 0.07 -2.65 0.00 0.00 0.82 0.00 0.00 66.70 64.94 1xck h VAL 27 Cb 0.90 3.08 0.00 0.00 -1.52 0.00 0.00 31.29 33.75 1xck h VAL 27 CO 0.08 0.79 0.00 2.29 0.02 0.00 0.00 177.57 180.75 1xck n LYS 28 N -3.82 0.16 0.13 1.57 2.85 0.13 -2.04 118.16 117.13 1xck n LYS 28 Ca -0.16 0.51 0.12 0.00 -1.05 0.00 0.00 58.31 57.73 1xck n LYS 28 Cb 1.03 -1.88 0.48 0.00 -0.65 0.00 0.00 35.03 34.01 1xck n LYS 28 CO 0.00 0.00 0.00 1.33 -0.05 0.00 0.00 177.40 178.68 1xck n VAL 29 N -2.19 0.77 -1.30 0.58 0.24 -1.25 -2.72 118.33 112.47 1xck n VAL 29 Ca 0.01 0.12 -0.28 0.00 -2.04 0.00 0.00 64.34 62.14 1xck n VAL 29 Cb 0.13 -1.05 0.14 0.00 -1.47 0.00 0.00 33.84 31.59 1xck n VAL 29 CO 0.00 0.00 0.00 0.35 -2.14 0.00 0.00 176.83 175.04 1xck n THR 30 N -2.29 3.36 -4.26 3.34 -2.24 -0.86 0.54 114.28 111.86 1xck n THR 30 Ca 0.03 -2.42 -0.34 0.00 -2.27 0.00 0.00 64.05 59.04 1xck n THR 30 Cb 0.28 -0.77 -0.11 0.00 -2.10 0.00 0.00 70.33 67.63 1xck n THR 30 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 1xck s LEU 31 N -3.53 3.52 0.00 3.22 2.96 -1.10 -4.71 118.68 119.04 1xck s LEU 31 Ca 0.60 0.00 0.00 0.00 -0.22 0.00 0.00 54.13 54.51 1xck s LEU 31 Cb 0.49 -1.85 0.00 0.00 0.50 0.00 0.00 46.19 45.33 1xck s LEU 31 CO 0.05 0.22 0.00 0.61 -1.32 0.00 0.00 176.35 175.91 1xck n GLY 32 N 3.22 -0.96 0.33 7.98 0.00 -1.26 -3.82 105.19 110.68 1xck n GLY 32 Ca -0.17 -1.66 0.18 0.00 0.00 0.00 0.00 46.02 44.37 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 -0.53 1.61 0.13 -1.94 -1.80 132.00 129.48 1xck h PRO 33 Ca 0.00 0.00 -0.21 0.00 -0.87 0.00 0.00 66.00 64.92 1xck h PRO 33 Cb 0.00 0.00 -0.12 0.00 0.13 0.00 0.00 31.00 31.01 1xck h PRO 33 CO 0.00 0.00 0.14 1.63 -0.23 0.00 0.00 178.00 179.54 1xck n LYS 34 N -3.54 2.57 -1.72 0.86 4.76 -1.26 -5.02 118.16 114.81 1xck n LYS 34 Ca -0.01 -3.06 -0.37 0.00 -2.87 0.00 0.00 58.31 51.99 1xck n LYS 34 Cb 0.21 -1.97 0.06 0.00 -1.84 0.00 0.00 35.03 31.49 1xck n LYS 34 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1xck n GLY 35 N -0.78 0.50 3.97 0.72 0.00 -0.68 -4.61 105.19 104.31 1xck n GLY 35 Ca 0.37 -0.11 -0.24 0.00 0.00 0.00 0.00 46.02 46.03 1xck n GLY 35 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1xck s ARG 36 N -3.20 1.82 0.02 1.61 1.81 0.19 -4.92 118.95 116.29 1xck s ARG 36 Ca 0.80 -0.78 -0.08 0.00 -1.72 0.00 0.00 55.73 53.95 1xck s ARG 36 Cb -0.39 -2.27 -0.05 0.00 -0.45 0.00 0.00 34.95 31.79 1xck s ARG 36 CO 0.43 -1.39 0.31 -0.80 -0.68 0.00 0.00 175.30 173.17 1xck s ASN 37 N -4.65 6.55 -0.09 0.23 0.02 -1.26 -4.39 114.94 111.35 1xck s ASN 37 Ca 0.64 0.64 0.04 0.00 -1.02 0.00 0.00 52.86 53.17 1xck s ASN 37 Cb -0.07 -2.12 -0.01 0.00 0.02 0.00 0.00 41.25 39.07 1xck s ASN 37 CO 0.44 0.24 -0.23 -0.69 0.02 0.00 0.00 177.10 176.88 1xck s VAL 38 N -1.31 2.15 -0.29 1.60 1.01 0.54 -4.94 120.40 119.17 1xck s VAL 38 Ca 0.29 -1.00 -0.12 0.00 0.00 0.00 0.00 61.98 61.14 1xck s VAL 38 Cb -0.14 -1.81 -0.04 0.00 0.00 0.00 0.00 36.38 34.39 1xck s VAL 38 CO 0.16 0.56 0.21 -0.69 0.00 0.00 0.00 175.10 175.35 1xck s VAL 39 N 0.13 5.30 -0.26 2.92 1.01 -1.26 -1.28 120.40 126.96 1xck s VAL 39 Ca -0.12 0.14 -0.07 0.00 0.00 0.00 0.00 61.98 61.93 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 0.20 0.06 -0.76 0.00 0.00 0.00 175.10 174.67 1xck s LEU 40 N 1.78 3.48 0.20 3.92 1.43 0.11 -4.92 118.68 124.69 1xck s LEU 40 Ca 0.07 -0.33 -0.30 0.00 -1.03 0.00 0.00 54.13 52.55 1xck s LEU 40 Cb -0.16 -1.90 -0.08 0.00 0.03 0.00 0.00 46.19 44.08 1xck s LEU 40 CO 0.11 -0.07 1.04 -0.62 0.23 0.00 0.00 176.35 177.04 1xck s ASP 41 N 1.58 7.40 -0.07 2.29 2.15 -1.26 -0.51 116.67 128.25 1xck s ASP 41 Ca 0.06 2.04 0.05 0.00 0.43 0.00 0.00 52.55 55.13 1xck s ASP 41 Cb -0.15 -2.61 -0.01 0.00 -0.30 0.00 0.00 42.92 39.85 1xck s ASP 41 CO 0.03 -0.08 -0.24 -0.54 -0.17 0.00 0.00 175.17 174.17 1xck s LYS 42 N -0.74 2.72 0.47 4.34 1.02 -1.26 -4.94 119.74 121.34 1xck s LYS 42 Ca 0.46 -0.88 0.23 0.00 0.02 0.00 0.00 55.97 55.80 1xck s LYS 42 Cb -0.28 -2.23 1.25 0.00 -0.52 0.00 0.00 37.83 36.05 1xck s LYS 42 CO 0.35 0.33 1.88 0.66 -0.92 0.00 0.00 175.35 177.64 1xck h SER 43 N 6.23 0.24 -3.65 2.83 4.64 -1.96 -3.38 113.55 118.49 1xck h SER 43 Ca -0.29 0.03 -0.66 0.00 -0.47 0.00 0.00 61.79 60.40 1xck h SER 43 Cb 1.19 -0.02 -0.23 0.00 -0.31 0.00 0.00 62.40 63.04 1xck h SER 43 CO 0.48 0.09 -0.60 -0.36 -0.87 0.00 0.00 176.83 175.56 1xck s PHE 44 N -5.24 3.12 0.00 4.77 0.08 -1.26 -5.03 117.98 114.42 1xck s PHE 44 Ca -0.07 -0.51 0.00 0.00 0.12 0.00 0.00 56.93 56.47 1xck s PHE 44 Cb 0.22 -2.28 0.00 0.00 -0.57 0.00 0.00 43.02 40.39 1xck s PHE 44 CO 0.78 -0.41 0.00 0.41 -0.10 0.00 0.00 175.22 175.90 1xck n GLY 45 N 4.94 -0.10 3.87 4.36 0.00 -1.26 -4.91 105.19 112.08 1xck n GLY 45 Ca -0.15 -1.25 -0.31 0.00 0.00 0.00 0.00 46.02 44.31 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 -1.44 3.40 1.08 4.61 0.00 -1.26 -4.87 121.76 123.28 1xck s ALA 46 Ca 0.00 -0.19 -0.13 0.00 0.00 0.00 0.00 51.96 51.65 1xck s ALA 46 Cb 0.00 -2.64 0.24 0.00 0.00 0.00 0.00 23.12 20.72 1xck s ALA 46 CO 0.00 0.18 1.06 -2.14 0.00 0.00 0.00 175.76 174.86 1xck s PRO 47 N -3.46 -0.26 -0.17 0.00 0.02 -1.26 -4.63 135.00 125.24 1xck s PRO 47 Ca 0.51 0.68 -0.06 0.00 0.02 0.00 0.00 61.00 62.14 1xck s PRO 47 Cb -0.10 -1.64 -0.04 0.00 0.02 0.00 0.00 34.50 32.74 1xck s PRO 47 CO 0.26 -3.24 0.03 0.99 -0.33 0.00 0.00 177.00 174.71 1xck s THR 48 N -2.72 4.46 -0.16 0.99 2.01 0.33 -4.94 115.64 115.62 1xck s THR 48 Ca 0.67 -0.15 -0.05 0.00 0.31 0.00 0.00 61.69 62.47 1xck s THR 48 Cb -0.22 -2.99 -0.03 0.00 0.01 0.00 0.00 72.50 69.27 1xck s THR 48 CO 0.61 0.47 0.00 -0.63 -0.69 0.00 0.00 174.62 174.39 1xck s ILE 49 N 0.36 4.27 0.09 1.82 1.01 -1.26 0.06 121.20 127.54 1xck s ILE 49 Ca 0.00 -0.23 -0.10 0.00 0.00 0.00 0.00 60.65 60.32 1xck s ILE 49 Cb -0.13 -2.88 0.01 0.00 0.01 0.00 0.00 42.46 39.46 1xck s ILE 49 CO 0.01 0.49 0.24 0.28 0.00 0.00 0.00 174.94 175.96 1xck s THR 50 N 0.23 0.12 -0.03 2.92 -1.32 -0.40 -4.96 115.64 112.20 1xck s THR 50 Ca 0.00 -1.00 0.04 0.00 -1.21 0.00 0.00 61.69 59.52 1xck s THR 50 Cb -0.13 -1.24 0.07 0.00 -1.51 0.00 0.00 72.50 69.69 1xck s THR 50 CO 0.02 -0.55 1.01 0.29 -2.21 0.00 0.00 174.62 173.17 1xck n LYS 51 N 0.02 2.36 -3.06 7.08 5.02 -1.26 -0.34 118.16 127.99 1xck n LYS 51 Ca -0.16 -1.68 -0.43 0.00 -2.02 0.00 0.00 58.31 54.02 1xck n LYS 51 Cb 0.62 -1.08 -0.06 0.00 -0.02 0.00 0.00 35.03 34.50 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 -1.38 6.29 0.47 4.39 2.15 -1.26 -4.80 116.67 122.53 1xck s ASP 52 Ca 0.07 -0.59 0.21 0.00 0.43 0.00 0.00 52.55 52.67 1xck s ASP 52 Cb 0.07 -2.34 1.22 0.00 -0.30 0.00 0.00 42.92 41.57 1xck s ASP 52 CO 0.01 -0.94 1.94 1.23 -0.17 0.00 0.00 175.17 177.23 1xck h GLY 53 N 10.03 0.39 1.22 2.66 0.00 -1.86 -1.33 103.07 114.19 1xck h GLY 53 Ca -0.26 -0.10 -0.15 0.00 0.00 0.00 0.00 47.33 46.82 1xck h GLY 53 CO 0.97 0.03 -0.35 -2.08 0.00 0.00 0.00 176.54 175.11 1xck h VAL 54 N 0.22 1.28 -0.20 4.60 2.07 -1.96 -0.89 116.25 121.37 1xck h VAL 54 Ca 0.34 -1.52 -0.03 0.00 0.82 0.00 0.00 66.70 66.31 1xck h VAL 54 Cb 1.03 1.37 -0.01 0.00 -1.52 0.00 0.00 31.29 32.16 1xck h VAL 54 CO -0.07 0.51 0.02 0.28 0.02 0.00 0.00 177.57 178.33 1xck h SER 55 N 0.71 0.32 0.27 0.57 0.02 -1.69 -1.94 113.55 111.82 1xck h SER 55 Ca 0.07 -0.28 -0.00 0.00 -0.84 0.00 0.00 61.79 60.74 1xck h SER 55 Cb 0.92 -0.09 -0.02 0.00 0.14 0.00 0.00 62.40 63.36 1xck h SER 55 CO 0.09 0.52 -0.25 0.58 -1.14 0.00 0.00 176.83 176.63 1xck h VAL 56 N 0.11 0.47 -0.84 2.27 2.07 -1.35 -2.71 116.25 116.29 1xck h VAL 56 Ca 0.06 0.00 0.14 0.00 0.82 0.00 0.00 66.70 67.72 1xck h VAL 56 Cb 0.34 0.47 -0.09 0.00 -1.52 0.00 0.00 31.29 30.50 1xck h VAL 56 CO 0.01 0.00 0.42 0.00 0.02 0.00 0.00 177.57 178.02 1xck h ALA 57 N 0.10 1.25 -1.01 1.67 0.00 -1.11 -0.97 119.26 119.20 1xck h ALA 57 Ca -0.01 0.09 0.17 0.00 0.00 0.00 0.00 54.91 55.16 1xck h ALA 57 Cb 0.49 -0.01 -0.10 0.00 0.00 0.00 0.00 17.79 18.17 1xck h ALA 57 CO -0.04 -0.10 0.62 -0.09 0.00 0.00 0.00 179.25 179.65 1xck h ARG 58 N 0.61 0.80 0.00 0.00 2.43 -1.02 -1.67 114.38 115.53 1xck h ARG 58 Ca 0.46 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.58 1xck h ARG 58 Cb 0.64 -0.18 0.00 0.00 -0.42 0.00 0.00 29.97 30.01 1xck h ARG 58 CO -0.36 0.53 0.00 0.39 -1.51 0.00 0.00 179.97 179.02 1xck n GLU 59 N -4.73 0.14 -2.62 0.20 -0.58 -0.38 -4.84 120.64 107.84 1xck n GLU 59 Ca 0.22 0.21 -0.43 0.00 -0.42 0.00 0.00 57.16 56.74 1xck n GLU 59 Cb 0.52 -1.69 -0.02 0.00 -0.57 0.00 0.00 31.44 29.67 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 -3.11 4.50 -0.13 -3.67 -1.09 -0.63 -4.99 121.20 112.09 1xck s ILE 60 Ca 0.10 1.75 -0.06 0.00 -2.23 0.00 0.00 60.65 60.21 1xck s ILE 60 Cb 0.13 -4.36 0.06 0.00 -1.58 0.00 0.00 42.46 36.70 1xck s ILE 60 CO 0.49 -0.41 0.28 -0.70 -1.23 0.00 0.00 174.94 173.37 1xck s GLU 61 N 3.60 0.22 0.06 2.79 2.12 -1.26 -4.89 118.70 121.34 1xck s GLU 61 Ca 0.46 0.65 0.01 0.00 0.36 0.00 0.00 54.97 56.45 1xck s GLU 61 Cb -0.13 -0.06 -0.04 0.00 0.26 0.00 0.00 34.13 34.15 1xck s GLU 61 CO 0.14 -0.20 0.17 -0.51 -0.54 0.00 0.00 175.26 174.33 1xck s LEU 62 N 1.66 4.21 0.12 2.70 1.43 -1.26 -5.03 118.68 122.51 1xck s LEU 62 Ca -0.06 0.20 -0.13 0.00 -1.03 0.00 0.00 54.13 53.10 1xck s LEU 62 Cb -0.11 -2.83 -0.05 0.00 0.03 0.00 0.00 46.19 43.24 1xck s LEU 62 CO -0.09 0.17 1.48 -0.08 0.23 0.00 0.00 176.35 178.06 1xck h GLU 63 N 3.16 0.80 -6.32 1.70 4.81 -2.00 -3.42 114.58 113.31 1xck h GLU 63 Ca -0.46 -0.37 -0.54 0.00 -0.13 0.00 0.00 59.36 57.86 1xck h GLU 63 Cb 1.16 -0.01 -0.00 0.00 0.63 0.00 0.00 28.75 30.53 1xck h GLU 63 CO 0.73 1.00 1.04 0.34 -0.73 0.00 0.00 179.01 181.39 1xck s ASP 64 N -6.56 6.67 0.22 1.04 -1.08 -1.26 -4.90 116.67 110.81 1xck s ASP 64 Ca -0.12 2.28 -0.07 0.00 -0.52 0.00 0.00 52.55 54.12 1xck s ASP 64 Cb 0.10 -2.54 0.34 0.00 -1.46 0.00 0.00 42.92 39.35 1xck s ASP 64 CO 0.84 -0.89 1.76 0.11 0.52 0.00 0.00 175.17 177.51 1xck h LYS 65 N 9.06 0.50 -0.01 4.34 1.79 -1.94 -0.27 116.57 130.05 1xck h LYS 65 Ca -0.40 -0.03 -0.00 0.00 -2.18 0.00 0.00 60.65 58.04 1xck h LYS 65 Cb 1.18 -0.11 -0.00 0.00 -1.58 0.00 0.00 32.23 31.72 1xck h LYS 65 CO 0.94 0.33 -0.00 0.74 -1.08 0.00 0.00 179.45 180.38 1xck h PHE 66 N 0.52 0.01 -1.00 -1.35 0.04 -1.93 -1.77 116.94 111.46 1xck h PHE 66 Ca 0.35 -0.00 0.08 0.00 2.80 0.00 0.00 57.97 61.19 1xck h PHE 66 Cb 0.41 -0.00 -0.07 0.00 2.20 0.00 0.00 35.95 38.49 1xck h PHE 66 CO -0.13 0.35 0.65 0.93 -0.60 0.00 0.00 178.31 179.50 1xck h GLU 67 N -0.33 1.11 -0.64 1.51 5.08 -1.61 -1.22 114.58 118.47 1xck h GLU 67 Ca 0.00 -0.07 -0.04 0.00 -1.00 0.00 0.00 59.36 58.25 1xck h GLU 67 Cb 0.35 -0.25 -0.03 0.00 0.50 0.00 0.00 28.75 29.32 1xck h GLU 67 CO 0.00 0.73 0.24 -0.97 -1.00 0.00 0.00 179.01 178.01 1xck h ASN 68 N 1.14 0.87 -0.54 1.42 -1.24 -0.85 -1.87 115.58 114.52 1xck h ASN 68 Ca 0.44 -0.13 -0.02 0.00 0.71 0.00 0.00 56.30 57.31 1xck h ASN 68 Cb 0.23 -0.22 -0.03 0.00 0.73 0.00 0.00 38.32 39.03 1xck h ASN 68 CO -0.19 0.79 0.27 0.24 -1.29 0.00 0.00 177.43 177.25 1xck h MET 69 N 0.93 0.80 -0.33 6.67 2.86 -0.32 0.10 114.93 125.63 1xck h MET 69 Ca 0.21 -0.10 -0.05 0.00 -2.06 0.00 0.00 59.70 57.70 1xck h MET 69 Cb 0.21 -0.15 -0.01 0.00 0.06 0.00 0.00 31.60 31.70 1xck h MET 69 CO -0.02 0.63 0.02 0.78 1.06 0.00 0.00 176.91 179.38 1xck h GLY 70 N 0.90 0.62 0.81 8.32 0.00 -0.95 -1.17 103.07 111.60 1xck h GLY 70 Ca 0.20 -0.44 -0.03 0.00 0.00 0.00 0.00 47.33 47.06 1xck h GLY 70 CO -0.03 0.41 0.01 0.00 0.00 0.00 0.00 176.54 176.93 1xck h ALA 71 N 0.87 0.24 -0.31 3.60 0.00 -0.96 -2.96 119.26 119.73 1xck h ALA 71 Ca 0.10 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 54.81 1xck h ALA 71 Cb 0.41 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.12 1xck h ALA 71 CO 0.01 -0.06 0.17 1.96 0.00 0.00 0.00 179.25 181.34 1xck h GLN 72 N 0.07 0.42 0.13 0.00 1.08 -0.76 -0.77 115.11 115.28 1xck h GLN 72 Ca 0.05 -0.04 -0.01 0.00 -1.45 0.00 0.00 58.65 57.21 1xck h GLN 72 Cb 0.37 -0.09 0.00 0.00 -0.05 0.00 0.00 27.48 27.71 1xck h GLN 72 CO 0.01 0.31 -0.06 0.52 -0.95 0.00 0.00 178.83 178.66 1xck h MET 73 N 0.43 -0.17 -0.00 1.46 2.86 -1.05 -1.26 114.93 117.19 1xck h MET 73 Ca 0.11 0.01 -0.16 0.00 -2.06 0.00 0.00 59.70 57.60 1xck h MET 73 Cb 0.01 0.04 -0.02 0.00 0.06 0.00 0.00 31.60 31.69 1xck h MET 73 CO -0.02 0.07 -0.74 -0.39 1.06 0.00 0.00 176.91 176.89 1xck h VAL 74 N -0.40 1.52 -0.61 -2.22 -1.51 -1.43 -2.93 116.25 108.67 1xck h VAL 74 Ca -0.02 -2.50 0.06 0.00 -1.23 0.00 0.00 66.70 63.01 1xck h VAL 74 Cb 0.32 2.35 -0.05 0.00 -2.13 0.00 0.00 31.29 31.78 1xck h VAL 74 CO 0.03 0.72 0.32 0.50 -1.23 0.00 0.00 177.57 177.90 1xck h LYS 75 N 0.02 0.57 -0.37 5.19 3.64 -1.08 0.28 116.57 124.82 1xck h LYS 75 Ca -0.01 -0.03 -0.10 0.00 -1.27 0.00 0.00 60.65 59.23 1xck h LYS 75 Cb 1.31 -0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 33.00 1xck h LYS 75 CO 0.10 0.38 -0.17 1.49 -2.27 0.00 0.00 179.45 178.98 1xck h GLU 76 N 0.59 0.77 -0.16 1.90 4.81 -1.12 -2.33 114.58 119.05 1xck h GLU 76 Ca 0.27 -0.33 -0.17 0.00 -0.13 0.00 0.00 59.36 59.00 1xck h GLU 76 Cb 0.19 -0.02 0.01 0.00 0.63 0.00 0.00 28.75 29.56 1xck h GLU 76 CO -0.19 0.95 -0.57 0.28 -0.73 0.00 0.00 179.01 178.76 1xck h VAL 77 N 0.57 1.32 -0.36 0.32 2.07 -1.31 -3.15 116.25 115.71 1xck h VAL 77 Ca 0.08 -1.82 -0.03 0.00 0.82 0.00 0.00 66.70 65.76 1xck h VAL 77 Cb 0.72 2.01 -0.02 0.00 -1.52 0.00 0.00 31.29 32.47 1xck h VAL 77 CO 0.05 0.56 0.09 0.00 0.02 0.00 0.00 177.57 178.29 1xck h ALA 78 N 0.54 1.48 -0.48 1.67 0.00 -0.48 -1.80 119.26 120.19 1xck h ALA 78 Ca -0.03 -0.15 0.02 0.00 0.00 0.00 0.00 54.91 54.76 1xck h ALA 78 Cb 1.19 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.80 1xck h ALA 78 CO 0.12 0.39 0.32 0.66 0.00 0.00 0.00 179.25 180.73 1xck h SER 79 N 0.52 0.50 -0.10 0.00 4.64 -1.38 -1.24 113.55 116.49 1xck h SER 79 Ca 0.12 -0.01 -0.01 0.00 -0.47 0.00 0.00 61.79 61.42 1xck h SER 79 Cb 0.20 -0.12 -0.01 0.00 -0.31 0.00 0.00 62.40 62.16 1xck h SER 79 CO -0.00 0.36 0.05 0.11 -0.87 0.00 0.00 176.83 176.47 1xck h LYS 80 N 0.59 0.19 -0.23 4.77 1.57 -1.33 -1.85 116.57 120.28 1xck h LYS 80 Ca 0.18 -0.02 -0.00 0.00 -1.87 0.00 0.00 60.65 58.94 1xck h LYS 80 Cb 0.01 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.27 1xck h LYS 80 CO -0.04 0.17 0.13 0.00 -0.57 0.00 0.00 179.45 179.13 1xck h ALA 81 N 1.86 0.29 -0.56 3.86 0.00 -1.26 0.48 119.26 123.94 1xck h ALA 81 Ca 0.05 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 1xck h ALA 81 Cb 0.05 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.73 1xck h ALA 81 CO -0.00 -0.17 0.26 -0.97 0.00 0.00 0.00 179.25 178.36 1xck h ASN 82 N 0.26 0.74 -0.63 0.00 -1.24 -1.43 -0.81 115.58 112.47 1xck h ASN 82 Ca 0.08 -0.14 0.01 0.00 0.71 0.00 0.00 56.30 56.96 1xck h ASN 82 Cb 0.07 -0.19 -0.03 0.00 0.73 0.00 0.00 38.32 38.90 1xck h ASN 82 CO -0.01 0.67 0.42 0.44 -1.29 0.00 0.00 177.43 177.65 1xck h ASP 83 N 0.76 0.72 -0.21 1.15 3.32 -1.07 0.74 116.42 121.83 1xck h ASP 83 Ca 0.19 -0.02 -0.07 0.00 0.02 0.00 0.00 57.03 57.16 1xck h ASP 83 Cb 0.13 -0.18 -0.00 0.00 0.22 0.00 0.00 39.33 39.50 1xck h ASP 83 CO -0.02 0.52 -0.13 0.00 -1.72 0.00 0.00 179.24 177.89 1xck h ALA 84 N 1.23 0.30 0.00 3.45 0.00 -0.58 -3.38 119.26 120.28 1xck h ALA 84 Ca 0.23 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.83 1xck h ALA 84 Cb -0.10 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.62 1xck h ALA 84 CO -0.05 0.16 0.00 0.00 0.00 0.00 0.00 179.25 179.36 1xck n ALA 85 N -2.42 2.05 -1.03 0.00 0.00 -0.34 -5.00 120.51 113.78 1xck n ALA 85 Ca -0.05 -0.78 -0.01 0.00 0.00 0.00 0.00 53.44 52.60 1xck n ALA 85 Cb 0.35 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 19.80 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 -0.29 0.48 3.60 0.00 0.00 0.26 -4.67 105.19 104.56 1xck n GLY 86 Ca 0.00 -0.22 0.02 0.00 0.00 0.00 0.00 46.02 45.82 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 -2.24 -0.04 0.00 1.61 2.15 -1.23 -4.92 116.67 112.00 1xck s ASP 87 Ca 0.00 -0.08 0.00 0.00 0.43 0.00 0.00 52.55 52.90 1xck s ASP 87 Cb 0.00 0.11 0.00 0.00 -0.30 0.00 0.00 42.92 42.73 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 -0.45 0.59 0.12 2.66 0.00 -1.26 -3.76 105.19 103.10 1xck n GLY 88 Ca -0.08 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.81 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 0.87 -0.46 2.61 2.02 -1.89 0.37 112.91 116.43 1xck h THR 89 Ca 0.00 -0.15 0.04 0.00 0.77 0.00 0.00 66.41 67.06 1xck h THR 89 Cb 0.00 0.97 -0.04 0.00 -1.74 0.00 0.00 68.15 67.34 1xck h THR 89 CO 0.00 0.04 0.23 0.74 0.37 0.00 0.00 175.52 176.90 1xck h THR 90 N -0.29 0.97 0.20 3.16 2.02 -1.90 -0.65 112.91 116.42 1xck h THR 90 Ca -0.02 -0.16 0.01 0.00 0.77 0.00 0.00 66.41 67.01 1xck h THR 90 Cb 0.23 0.47 -0.03 0.00 -1.74 0.00 0.00 68.15 67.08 1xck h THR 90 CO 0.04 0.08 -0.28 0.74 0.37 0.00 0.00 175.52 176.47 1xck h THR 91 N 0.46 0.40 -0.92 3.16 2.02 -1.94 0.42 112.91 116.51 1xck h THR 91 Ca 0.20 0.00 0.18 0.00 0.77 0.00 0.00 66.41 67.56 1xck h THR 91 Cb 0.10 0.40 -0.11 0.00 -1.74 0.00 0.00 68.15 66.80 1xck h THR 91 CO -0.14 0.00 0.50 0.00 0.37 0.00 0.00 175.52 176.25 1xck h ALA 92 N 0.11 1.48 0.03 6.16 0.00 -0.60 0.15 119.26 126.58 1xck h ALA 92 Ca 0.01 0.10 -0.00 0.00 0.00 0.00 0.00 54.91 55.02 1xck h ALA 92 Cb 0.53 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.32 1xck h ALA 92 CO -0.11 -0.14 -0.01 1.15 0.00 0.00 0.00 179.25 180.14 1xck h THR 93 N 0.62 1.11 -0.06 0.00 2.02 -0.04 0.17 112.91 116.73 1xck h THR 93 Ca 0.54 -0.43 -0.08 0.00 0.77 0.00 0.00 66.41 67.20 1xck h THR 93 Cb 0.86 1.40 -0.01 0.00 -1.74 0.00 0.00 68.15 68.67 1xck h THR 93 CO -0.41 0.11 -0.35 -0.37 0.37 0.00 0.00 175.52 174.87 1xck h VAL 94 N -0.22 1.27 -0.24 3.16 -1.51 0.09 -1.24 116.25 117.55 1xck h VAL 94 Ca -0.00 -1.29 -0.05 0.00 -1.23 0.00 0.00 66.70 64.13 1xck h VAL 94 Cb 0.21 1.62 -0.01 0.00 -2.13 0.00 0.00 31.29 30.98 1xck h VAL 94 CO 0.01 0.38 -0.02 -0.07 -1.23 0.00 0.00 177.57 176.63 1xck h LEU 95 N 0.09 0.44 -0.76 4.19 3.38 -0.55 -2.06 115.31 120.05 1xck h LEU 95 Ca 0.01 -0.33 0.05 0.00 0.09 0.00 0.00 57.88 57.70 1xck h LEU 95 Cb 0.67 -0.12 -0.05 0.00 0.09 0.00 0.00 40.66 41.25 1xck h LEU 95 CO 0.05 0.67 0.46 0.00 0.09 0.00 0.00 178.44 179.71 1xck h ALA 96 N 0.79 1.03 -0.59 1.53 0.00 -0.22 -0.16 119.26 121.63 1xck h ALA 96 Ca 0.07 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 1xck h ALA 96 Cb 0.46 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 18.02 1xck h ALA 96 CO 0.02 0.20 0.33 0.37 0.00 0.00 0.00 179.25 180.17 1xck h GLN 97 N 0.87 0.82 -0.38 0.00 4.15 -1.07 -0.03 115.11 119.47 1xck h GLN 97 Ca 0.33 -0.09 -0.01 0.00 0.77 0.00 0.00 58.65 59.64 1xck h GLN 97 Cb 0.13 -0.16 -0.02 0.00 0.21 0.00 0.00 27.48 27.64 1xck h GLN 97 CO -0.16 0.61 0.18 0.00 -1.93 0.00 0.00 178.83 177.54 1xck h ALA 98 N 1.16 0.49 -0.19 3.38 0.00 -0.62 -0.46 119.26 123.02 1xck h ALA 98 Ca 0.21 -0.11 -0.05 0.00 0.00 0.00 0.00 54.91 54.96 1xck h ALA 98 Cb 0.03 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 1xck h ALA 98 CO -0.04 0.06 -0.07 0.82 0.00 0.00 0.00 179.25 180.02 1xck h ILE 99 N 0.48 1.30 -0.44 0.00 2.04 -0.85 -2.97 117.51 117.06 1xck h ILE 99 Ca 0.13 -1.09 -0.01 0.00 1.00 0.00 0.00 64.86 64.89 1xck h ILE 99 Cb 0.13 1.61 -0.02 0.00 -0.74 0.00 0.00 36.82 37.80 1xck h ILE 99 CO -0.02 0.33 0.24 0.40 0.00 0.00 0.00 178.15 179.11 1xck h ILE 100 N 0.09 1.16 0.39 -0.67 2.04 -0.92 0.65 117.51 120.25 1xck h ILE 100 Ca 0.05 -0.41 -0.01 0.00 1.00 0.00 0.00 64.86 65.49 1xck h ILE 100 Cb 0.53 0.62 -0.02 0.00 -0.74 0.00 0.00 36.82 37.22 1xck h ILE 100 CO 0.02 0.17 -0.35 0.74 0.00 0.00 0.00 178.15 178.73 1xck h THR 101 N 0.58 0.28 -0.34 -0.27 2.02 -1.10 0.58 112.91 114.66 1xck h THR 101 Ca 0.16 0.00 -0.12 0.00 0.77 0.00 0.00 66.41 67.22 1xck h THR 101 Cb 0.05 0.28 -0.01 0.00 -1.74 0.00 0.00 68.15 66.73 1xck h THR 101 CO -0.03 0.00 -0.28 -0.33 0.37 0.00 0.00 175.52 175.25 1xck h GLU 102 N -0.76 0.70 -0.48 6.66 4.39 -1.52 -2.51 114.58 121.07 1xck h GLU 102 Ca -0.03 -0.30 0.03 0.00 0.34 0.00 0.00 59.36 59.39 1xck h GLU 102 Cb 0.67 -0.02 -0.03 0.00 -0.10 0.00 0.00 28.75 29.26 1xck h GLU 102 CO -0.04 0.90 0.28 0.78 -1.16 0.00 0.00 179.01 179.77 1xck h GLY 103 N 0.98 0.68 1.47 -3.84 0.00 -0.64 -1.40 103.07 100.33 1xck h GLY 103 Ca 0.07 -0.20 -0.09 0.00 0.00 0.00 0.00 47.33 47.11 1xck h GLY 103 CO 0.06 0.16 -0.17 1.41 0.00 0.00 0.00 176.54 178.01 1xck h LEU 104 N 0.55 0.62 -0.29 3.11 3.38 -0.74 -1.87 115.31 120.07 1xck h LEU 104 Ca 0.20 -0.19 0.01 0.00 0.09 0.00 0.00 57.88 57.99 1xck h LEU 104 Cb 0.05 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.61 1xck h LEU 104 CO -0.11 0.80 0.18 0.11 0.09 0.00 0.00 178.44 179.51 1xck h LYS 105 N 0.56 0.35 -0.70 1.13 1.57 -0.98 -0.17 116.57 118.33 1xck h LYS 105 Ca 0.09 -0.02 0.05 0.00 -1.87 0.00 0.00 60.65 58.90 1xck h LYS 105 Cb 0.61 -0.08 -0.05 0.00 0.08 0.00 0.00 32.23 32.79 1xck h LYS 105 CO 0.04 0.23 0.42 0.00 -0.57 0.00 0.00 179.45 179.57 1xck h ALA 106 N 1.12 0.94 -0.63 3.86 0.00 -0.95 -0.34 119.26 123.26 1xck h ALA 106 Ca 0.11 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 1xck h ALA 106 Cb -0.02 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.56 1xck h ALA 106 CO -0.04 0.14 0.34 0.28 0.00 0.00 0.00 179.25 179.97 1xck h VAL 107 N 0.79 1.20 -0.46 0.00 2.07 -0.71 -1.95 116.25 117.18 1xck h VAL 107 Ca 0.30 -0.50 -0.05 0.00 0.82 0.00 0.00 66.70 67.27 1xck h VAL 107 Cb 0.12 0.39 -0.02 0.00 -1.52 0.00 0.00 31.29 30.26 1xck h VAL 107 CO -0.15 0.22 0.08 0.00 0.02 0.00 0.00 177.57 177.74 1xck h ALA 108 N 1.16 1.29 0.00 1.67 0.00 -0.44 -0.37 119.26 122.58 1xck h ALA 108 Ca 0.22 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1xck h ALA 108 Cb 0.04 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.64 1xck h ALA 108 CO -0.04 0.49 0.00 0.00 0.00 0.00 0.00 179.25 179.71 1xck n ALA 109 N -2.47 1.72 0.00 0.00 0.00 -0.19 -4.85 120.51 114.72 1xck n ALA 109 Ca 0.03 -0.06 0.00 0.00 0.00 0.00 0.00 53.44 53.41 1xck n ALA 109 Cb 0.23 -1.22 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 -0.12 0.79 3.81 0.00 0.00 -0.15 -5.08 105.19 104.45 1xck n GLY 110 Ca 0.05 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.74 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 -0.92 3.72 -0.08 1.61 1.00 -0.78 -4.98 119.30 118.86 1xck s MET 111 Ca 0.00 1.17 -0.30 0.00 0.00 0.00 0.00 55.69 56.56 1xck s MET 111 Cb 0.00 -2.09 -0.03 0.00 0.00 0.00 0.00 34.83 32.70 1xck s MET 111 CO 0.00 -0.47 1.33 1.21 0.00 0.00 0.00 175.02 177.09 1xck s ASN 112 N -2.59 6.91 0.20 3.03 3.84 -1.26 -4.43 114.94 120.64 1xck s ASN 112 Ca 0.63 1.90 -0.10 0.00 0.21 0.00 0.00 52.86 55.49 1xck s ASN 112 Cb -0.14 -2.55 0.24 0.00 -0.55 0.00 0.00 41.25 38.26 1xck s ASN 112 CO 0.28 -0.73 1.75 -0.65 -2.79 0.00 0.00 177.10 174.96 1xck h PRO 113 N 8.10 0.40 -0.71 0.43 0.11 -1.94 -0.60 132.00 137.80 1xck h PRO 113 Ca -0.33 -0.02 -0.03 0.00 0.11 0.00 0.00 66.00 65.73 1xck h PRO 113 Cb 1.15 -0.09 -0.03 0.00 0.11 0.00 0.00 31.00 32.13 1xck h PRO 113 CO 0.93 0.26 0.31 0.52 -0.21 0.00 0.00 178.00 179.82 1xck h MET 114 N 0.41 1.03 -0.30 1.05 2.86 -1.92 -1.02 114.93 117.04 1xck h MET 114 Ca 0.29 -0.16 -0.18 0.00 -2.06 0.00 0.00 59.70 57.58 1xck h MET 114 Cb 0.33 -0.18 0.00 0.00 0.06 0.00 0.00 31.60 31.80 1xck h MET 114 CO -0.28 0.81 -0.53 -0.44 1.06 0.00 0.00 176.91 177.54 1xck h ASP 115 N 1.01 0.99 -0.74 1.22 3.32 -1.73 -1.65 116.42 118.84 1xck h ASP 115 Ca 0.24 -0.53 0.04 0.00 0.02 0.00 0.00 57.03 56.81 1xck h ASP 115 Cb 0.15 -0.28 -0.05 0.00 0.22 0.00 0.00 39.33 39.37 1xck h ASP 115 CO -0.03 1.33 0.46 -0.07 -1.72 0.00 0.00 179.24 179.21 1xck h LEU 116 N 0.68 0.73 -0.21 1.55 3.38 -0.82 -0.32 115.31 120.31 1xck h LEU 116 Ca 0.02 0.01 -0.02 0.00 0.09 0.00 0.00 57.88 57.98 1xck h LEU 116 Cb 1.14 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.74 1xck h LEU 116 CO 0.12 0.49 0.05 0.50 0.09 0.00 0.00 178.44 179.69 1xck h LYS 117 N 0.87 0.33 -0.90 1.13 3.64 -1.09 -1.30 116.57 119.25 1xck h LYS 117 Ca 0.31 -0.08 0.06 0.00 -1.27 0.00 0.00 60.65 59.67 1xck h LYS 117 Cb 0.08 -0.04 -0.06 0.00 -0.41 0.00 0.00 32.23 31.80 1xck h LYS 117 CO -0.14 0.46 0.57 -0.09 -2.27 0.00 0.00 179.45 177.98 1xck h ARG 118 N 0.15 1.01 -0.43 1.90 2.43 -0.73 -0.12 114.38 118.58 1xck h ARG 118 Ca 0.06 -0.06 -0.05 0.00 -0.81 0.00 0.00 59.98 59.12 1xck h ARG 118 Cb 0.28 -0.23 -0.02 0.00 -0.42 0.00 0.00 29.97 29.59 1xck h ARG 118 CO 0.00 0.67 0.06 0.78 -1.51 0.00 0.00 179.97 179.97 1xck h GLY 119 N 1.04 0.77 0.86 2.80 0.00 -0.87 -0.33 103.07 107.33 1xck h GLY 119 Ca 0.39 -0.52 0.02 0.00 0.00 0.00 0.00 47.33 47.22 1xck h GLY 119 CO -0.17 0.48 0.23 -2.22 0.00 0.00 0.00 176.54 174.86 1xck h ILE 120 N 0.57 1.02 -0.55 2.60 2.04 -0.54 -0.82 117.51 121.82 1xck h ILE 120 Ca 0.13 -0.16 -0.02 0.00 1.00 0.00 0.00 64.86 65.81 1xck h ILE 120 Cb 0.39 0.51 -0.03 0.00 -0.74 0.00 0.00 36.82 36.95 1xck h ILE 120 CO 0.01 0.09 0.27 0.44 0.00 0.00 0.00 178.15 178.96 1xck h ASP 121 N 0.47 0.72 -0.35 1.72 3.32 -0.83 -0.65 116.42 120.81 1xck h ASP 121 Ca 0.17 -0.12 0.02 0.00 0.02 0.00 0.00 57.03 57.12 1xck h ASP 121 Cb 0.04 -0.18 -0.03 0.00 0.22 0.00 0.00 39.33 39.38 1xck h ASP 121 CO -0.10 0.64 0.19 0.50 -1.72 0.00 0.00 179.24 178.75 1xck h LYS 122 N 0.74 0.37 -0.64 3.56 3.64 -0.57 0.78 116.57 124.45 1xck h LYS 122 Ca 0.19 -0.02 0.03 0.00 -1.27 0.00 0.00 60.65 59.58 1xck h LYS 122 Cb 0.11 -0.08 -0.04 0.00 -0.41 0.00 0.00 32.23 31.80 1xck h LYS 122 CO -0.03 0.25 0.39 0.00 -2.27 0.00 0.00 179.45 177.79 1xck h ALA 123 N 1.17 0.84 -0.67 5.00 0.00 -0.81 -1.60 119.26 123.19 1xck h ALA 123 Ca 0.14 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.97 1xck h ALA 123 Cb 0.04 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.61 1xck h ALA 123 CO -0.09 0.14 0.15 0.28 0.00 0.00 0.00 179.25 179.73 1xck h VAL 124 N 0.77 1.26 -0.76 0.00 2.07 -0.51 0.20 116.25 119.28 1xck h VAL 124 Ca 0.26 -0.98 -0.03 0.00 0.82 0.00 0.00 66.70 66.77 1xck h VAL 124 Cb 0.04 0.61 -0.03 0.00 -1.52 0.00 0.00 31.29 30.38 1xck h VAL 124 CO -0.11 0.37 0.34 0.74 0.02 0.00 0.00 177.57 178.93 1xck h THR 125 N 1.01 1.25 -0.35 2.57 2.02 -0.38 0.70 112.91 119.73 1xck h THR 125 Ca 0.21 -0.74 -0.10 0.00 0.77 0.00 0.00 66.41 66.55 1xck h THR 125 Cb 0.39 0.32 -0.01 0.00 -1.74 0.00 0.00 68.15 67.11 1xck h THR 125 CO 0.01 0.31 -0.18 0.00 0.37 0.00 0.00 175.52 176.02 1xck h ALA 126 N 1.17 0.50 -0.88 6.16 0.00 -1.00 -2.80 119.26 122.41 1xck h ALA 126 Ca 0.26 -0.36 0.05 0.00 0.00 0.00 0.00 54.91 54.86 1xck h ALA 126 Cb 0.16 -0.12 -0.06 0.00 0.00 0.00 0.00 17.79 17.77 1xck h ALA 126 CO -0.03 0.43 0.56 0.00 0.00 0.00 0.00 179.25 180.21 1xck h ALA 127 N 0.78 1.18 -0.42 0.00 0.00 -0.06 -0.49 119.26 120.26 1xck h ALA 127 Ca 0.08 -0.03 -0.07 0.00 0.00 0.00 0.00 54.91 54.89 1xck h ALA 127 Cb 0.73 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 18.22 1xck h ALA 127 CO 0.05 0.36 -0.03 0.28 0.00 0.00 0.00 179.25 179.92 1xck h VAL 128 N 1.05 1.23 -0.27 0.00 2.07 -0.77 0.02 116.25 119.59 1xck h VAL 128 Ca 0.36 -0.98 -0.15 0.00 0.82 0.00 0.00 66.70 66.75 1xck h VAL 128 Cb 0.08 0.95 -0.00 0.00 -1.52 0.00 0.00 31.29 30.80 1xck h VAL 128 CO -0.14 0.34 -0.43 -0.08 0.02 0.00 0.00 177.57 177.28 1xck h GLU 129 N 0.64 0.77 -0.22 1.57 4.57 -1.09 -2.42 114.58 118.41 1xck h GLU 129 Ca 0.13 -0.46 -0.03 0.00 -1.18 0.00 0.00 59.36 57.82 1xck h GLU 129 Cb 0.45 0.04 -0.01 0.00 -0.16 0.00 0.00 28.75 29.07 1xck h GLU 129 CO 0.02 1.09 0.02 1.49 -1.18 0.00 0.00 179.01 180.45 1xck h GLU 130 N 0.52 0.31 -0.42 1.92 4.57 -0.76 -1.78 114.58 118.94 1xck h GLU 130 Ca 0.02 -0.05 -0.10 0.00 -1.18 0.00 0.00 59.36 58.06 1xck h GLU 130 Cb 1.02 -0.06 -0.02 0.00 -0.16 0.00 0.00 28.75 29.54 1xck h GLU 130 CO 0.10 0.33 -0.15 1.25 -1.18 0.00 0.00 179.01 179.36 1xck h LEU 131 N 0.31 0.78 -0.55 1.64 5.85 -0.71 -2.01 115.31 120.63 1xck h LEU 131 Ca 0.07 -0.25 -0.10 0.00 0.84 0.00 0.00 57.88 58.44 1xck h LEU 131 Cb 0.18 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 40.98 1xck h LEU 131 CO 0.00 0.94 -0.06 0.11 -0.34 0.00 0.00 178.44 179.09 1xck h LYS 132 N 0.70 1.01 -0.24 1.25 1.57 -0.85 -2.17 116.57 117.84 1xck h LYS 132 Ca 0.11 -0.35 -0.06 0.00 -1.87 0.00 0.00 60.65 58.48 1xck h LYS 132 Cb 0.64 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.86 1xck h LYS 132 CO 0.04 1.04 -0.09 0.00 -0.57 0.00 0.00 179.45 179.87 1xck h ALA 133 N 0.94 1.40 0.00 3.86 0.00 -1.18 -2.67 119.26 121.61 1xck h ALA 133 Ca 0.15 -0.22 -0.17 0.00 0.00 0.00 0.00 54.91 54.66 1xck h ALA 133 Cb 0.62 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.27 1xck h ALA 133 CO 0.04 0.42 -0.83 1.25 0.00 0.00 0.00 179.25 180.12 1xck h LEU 134 N 0.37 0.00 -9.63 0.00 6.46 -1.18 -3.46 115.31 107.86 1xck h LEU 134 Ca 0.07 0.00 -0.58 0.00 -0.12 0.00 0.00 57.88 57.26 1xck h LEU 134 Cb 0.39 0.00 0.09 0.00 -0.73 0.00 0.00 40.66 40.41 1xck h LEU 134 CO 0.02 0.83 0.61 -0.24 -0.62 0.00 0.00 178.44 179.04 1xck n SER 135 N -3.50 2.83 -4.68 1.25 2.88 -0.83 -4.90 113.62 106.67 1xck n SER 135 Ca -0.00 1.16 -0.35 0.00 -1.33 0.00 0.00 58.87 58.34 1xck n SER 135 Cb 0.81 -1.45 -0.09 0.00 -0.75 0.00 0.00 64.21 62.73 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 -0.26 4.71 0.62 2.46 1.01 -0.08 -4.90 120.40 123.96 1xck s VAL 136 Ca 0.65 -0.07 -0.17 0.00 0.00 0.00 0.00 61.98 62.39 1xck s VAL 136 Cb -0.62 -3.07 -0.02 0.00 0.00 0.00 0.00 36.38 32.66 1xck s VAL 136 CO 0.52 0.53 1.13 -2.84 0.00 0.00 0.00 175.10 174.44 1xck s PRO 137 N -0.18 2.96 -0.38 2.72 0.02 -1.26 -0.98 135.00 137.90 1xck s PRO 137 Ca 0.07 1.54 0.01 0.00 0.02 0.00 0.00 61.00 62.64 1xck s PRO 137 Cb -0.12 -1.96 0.13 0.00 0.02 0.00 0.00 34.50 32.57 1xck s PRO 137 CO 0.01 -1.15 0.20 0.00 -0.33 0.00 0.00 177.00 175.73 1xck n SER 139 N 3.99 0.57 -4.77 0.00 7.64 -1.26 -4.21 113.62 115.58 1xck n SER 139 Ca 0.07 0.00 -0.35 0.00 1.01 0.00 0.00 58.87 59.60 1xck n SER 139 Cb 0.37 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.57 1xck n SER 139 CO 0.00 0.00 0.00 1.51 -3.01 0.00 0.00 175.04 173.54 1xck s ASP 140 N -4.76 5.71 0.00 6.43 -4.77 -1.26 -4.83 116.67 113.19 1xck s ASP 140 Ca 0.00 2.20 0.09 0.00 -3.30 0.00 0.00 52.55 51.53 1xck s ASP 140 Cb 0.00 -2.58 0.43 0.00 -1.09 0.00 0.00 42.92 39.67 1xck s ASP 140 CO 0.00 -1.22 1.15 -1.54 0.70 0.00 0.00 175.17 174.26 1xck n SER 141 N -1.27 0.00 0.03 2.11 3.41 -1.26 -1.59 113.62 115.05 1xck n SER 141 Ca 0.12 0.18 -0.19 0.00 -0.26 0.00 0.00 58.87 58.72 1xck n SER 141 Cb 0.51 -0.30 -0.12 0.00 -0.26 0.00 0.00 64.21 64.04 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 0.50 -0.15 4.33 3.64 -1.99 -2.57 116.57 120.33 1xck h LYS 142 Ca 0.00 -0.59 -0.07 0.00 -1.27 0.00 0.00 60.65 58.72 1xck h LYS 142 Cb 0.08 0.18 -0.00 0.00 -0.41 0.00 0.00 32.23 32.08 1xck h LYS 142 CO 0.00 1.22 -0.17 0.00 -2.27 0.00 0.00 179.45 178.22 1xck h ALA 143 N 0.31 0.22 -0.75 5.00 0.00 -1.66 -2.49 119.26 119.88 1xck h ALA 143 Ca -0.11 -0.34 0.16 0.00 0.00 0.00 0.00 54.91 54.61 1xck h ALA 143 Cb 1.54 -0.04 -0.11 0.00 0.00 0.00 0.00 17.79 19.18 1xck h ALA 143 CO 0.16 0.13 0.22 0.82 0.00 0.00 0.00 179.25 180.58 1xck h ILE 144 N -0.00 0.54 -0.73 0.00 2.04 -1.46 0.12 117.51 118.02 1xck h ILE 144 Ca 0.02 -0.11 -0.05 0.00 1.00 0.00 0.00 64.86 65.72 1xck h ILE 144 Cb 0.72 0.20 -0.03 0.00 -0.74 0.00 0.00 36.82 36.97 1xck h ILE 144 CO 0.04 0.06 0.26 0.00 0.00 0.00 0.00 178.15 178.51 1xck h ALA 145 N 1.60 1.07 -0.35 1.87 0.00 -1.32 -1.48 119.26 120.65 1xck h ALA 145 Ca 0.42 -0.21 -0.05 0.00 0.00 0.00 0.00 54.91 55.08 1xck h ALA 145 Cb 0.72 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 1xck h ALA 145 CO -0.49 0.64 0.04 1.96 0.00 0.00 0.00 179.25 181.40 1xck h GLN 146 N 1.08 0.59 -0.73 0.00 4.20 -0.40 0.18 115.11 120.03 1xck h GLN 146 Ca 0.24 -0.17 -0.05 0.00 0.06 0.00 0.00 58.65 58.73 1xck h GLN 146 Cb 0.26 -0.06 -0.03 0.00 0.30 0.00 0.00 27.48 27.94 1xck h GLN 146 CO -0.01 0.68 0.26 0.28 -0.67 0.00 0.00 178.83 179.37 1xck h VAL 147 N 0.42 1.25 -0.57 -0.54 2.07 -0.82 -1.29 116.25 116.76 1xck h VAL 147 Ca 0.10 -0.84 -0.08 0.00 0.82 0.00 0.00 66.70 66.70 1xck h VAL 147 Cb 0.39 0.41 -0.02 0.00 -1.52 0.00 0.00 31.29 30.55 1xck h VAL 147 CO 0.01 0.34 0.05 1.23 0.02 0.00 0.00 177.57 179.21 1xck h GLY 148 N 1.11 1.06 0.98 2.17 0.00 -1.02 -1.26 103.07 106.12 1xck h GLY 148 Ca 0.24 -0.75 -0.01 0.00 0.00 0.00 0.00 47.33 46.81 1xck h GLY 148 CO -0.01 0.69 0.26 -0.84 0.00 0.00 0.00 176.54 176.63 1xck h THR 149 N 0.88 1.18 -0.57 4.70 2.02 -0.54 -0.33 112.91 120.24 1xck h THR 149 Ca 0.17 -0.47 -0.07 0.00 0.77 0.00 0.00 66.41 66.81 1xck h THR 149 Cb 0.49 0.60 -0.02 0.00 -1.74 0.00 0.00 68.15 67.47 1xck h THR 149 CO 0.02 0.19 0.09 0.40 0.37 0.00 0.00 175.52 176.59 1xck h ILE 150 N 0.64 1.26 0.00 3.11 2.04 -1.11 0.30 117.51 123.75 1xck h ILE 150 Ca 0.17 -0.97 0.00 0.00 1.00 0.00 0.00 64.86 65.06 1xck h ILE 150 Cb 0.07 0.78 0.00 0.00 -0.74 0.00 0.00 36.82 36.94 1xck h ILE 150 CO -0.03 0.36 0.00 -1.20 0.00 0.00 0.00 178.15 177.28 1xck n SER 151 N -4.34 0.55 -1.52 1.72 7.64 -0.49 -2.26 113.62 114.92 1xck n SER 151 Ca 0.02 0.63 -0.04 0.00 1.01 0.00 0.00 58.87 60.49 1xck n SER 151 Cb 0.27 -0.75 0.25 0.00 -1.01 0.00 0.00 64.21 62.98 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 -1.72 4.21 -3.27 -0.43 0.00 -0.16 -4.22 120.51 114.92 1xck n ALA 152 Ca 0.03 -2.60 -0.16 0.00 0.00 0.00 0.00 53.44 50.70 1xck n ALA 152 Cb 0.24 -1.00 0.07 0.00 0.00 0.00 0.00 19.45 18.76 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 -0.60 -3.21 -1.08 0.00 5.15 -0.96 -2.97 115.26 111.59 1xck n ASN 153 Ca 0.36 -0.50 -0.12 0.00 -0.60 0.00 0.00 54.58 53.72 1xck n ASN 153 Cb 1.20 -4.35 -0.04 0.00 -0.53 0.00 0.00 39.78 36.06 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 -2.62 -4.32 -4.43 1.20 7.64 0.10 -4.97 113.62 106.21 1xck n SER 154 Ca -0.16 0.21 -0.44 0.00 1.01 0.00 0.00 58.87 59.49 1xck n SER 154 Cb 0.61 -3.08 -0.04 0.00 -1.01 0.00 0.00 64.21 60.69 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 -2.75 6.30 0.45 6.43 -1.08 -1.10 -4.89 116.67 120.03 1xck s ASP 155 Ca 0.00 -1.39 0.18 0.00 -0.52 0.00 0.00 52.55 50.83 1xck s ASP 155 Cb 0.00 -2.38 1.14 0.00 -1.46 0.00 0.00 42.92 40.22 1xck s ASP 155 CO 0.00 -1.26 1.92 -0.33 0.52 0.00 0.00 175.17 176.02 1xck h GLU 156 N 9.26 0.31 -0.24 4.34 5.08 -1.92 -1.99 114.58 129.43 1xck h GLU 156 Ca -0.17 -0.02 0.05 0.00 -1.00 0.00 0.00 59.36 58.21 1xck h GLU 156 Cb 1.06 -0.07 -0.04 0.00 0.50 0.00 0.00 28.75 30.20 1xck h GLU 156 CO 1.14 0.21 -0.04 1.15 -1.00 0.00 0.00 179.01 180.46 1xck h THR 157 N 0.32 0.78 -0.67 1.13 2.02 -1.97 0.09 112.91 114.61 1xck h THR 157 Ca 0.37 -0.01 -0.01 0.00 0.77 0.00 0.00 66.41 67.53 1xck h THR 157 Cb 0.98 0.76 -0.03 0.00 -1.74 0.00 0.00 68.15 68.11 1xck h THR 157 CO -0.10 0.00 0.37 0.58 0.37 0.00 0.00 175.52 176.74 1xck h VAL 158 N 0.02 1.21 -0.29 3.16 2.07 -1.72 0.64 116.25 121.34 1xck h VAL 158 Ca 0.11 -0.53 0.01 0.00 0.82 0.00 0.00 66.70 67.11 1xck h VAL 158 Cb 0.17 0.34 -0.02 0.00 -1.52 0.00 0.00 31.29 30.25 1xck h VAL 158 CO -0.23 0.23 0.18 1.23 0.02 0.00 0.00 177.57 179.00 1xck h GLY 159 N 0.92 0.40 0.69 2.17 0.00 -1.30 -0.92 103.07 105.04 1xck h GLY 159 Ca 0.24 -0.14 0.04 0.00 0.00 0.00 0.00 47.33 47.47 1xck h GLY 159 CO -0.04 0.13 0.12 1.70 0.00 0.00 0.00 176.54 178.45 1xck h LYS 160 N 0.36 0.25 -0.35 4.80 3.64 -0.62 -0.40 116.57 124.26 1xck h LYS 160 Ca 0.11 -0.02 0.06 0.00 -1.27 0.00 0.00 60.65 59.53 1xck h LYS 160 Cb -0.02 -0.06 -0.05 0.00 -0.41 0.00 0.00 32.23 31.69 1xck h LYS 160 CO -0.04 0.17 0.04 -0.07 -2.27 0.00 0.00 179.45 177.28 1xck h LEU 161 N 0.26 -0.05 -0.40 5.20 3.38 -0.37 -1.12 115.31 122.21 1xck h LEU 161 Ca 0.16 0.07 -0.06 0.00 0.09 0.00 0.00 57.88 58.14 1xck h LEU 161 Cb 0.14 0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.98 1xck h LEU 161 CO -0.17 0.01 0.02 0.40 0.09 0.00 0.00 178.44 178.80 1xck h ILE 162 N 0.15 1.25 -0.63 1.22 2.04 -0.86 -1.97 117.51 118.71 1xck h ILE 162 Ca 0.17 -0.96 0.01 0.00 1.00 0.00 0.00 64.86 65.08 1xck h ILE 162 Cb 0.21 1.09 -0.03 0.00 -0.74 0.00 0.00 36.82 37.35 1xck h ILE 162 CO -0.25 0.33 0.41 0.00 0.00 0.00 0.00 178.15 178.64 1xck h ALA 163 N 0.90 0.81 -0.58 1.87 0.00 -0.81 0.05 119.26 121.50 1xck h ALA 163 Ca 0.12 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.96 1xck h ALA 163 Cb 0.44 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.96 1xck h ALA 163 CO 0.02 0.22 0.27 0.93 0.00 0.00 0.00 179.25 180.68 1xck h GLU 164 N 0.84 0.84 -0.32 0.00 5.08 -1.08 -0.63 114.58 119.31 1xck h GLU 164 Ca 0.24 -0.13 -0.07 0.00 -1.00 0.00 0.00 59.36 58.40 1xck h GLU 164 Cb -0.08 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.02 1xck h GLU 164 CO -0.06 0.69 -0.06 0.00 -1.00 0.00 0.00 179.01 178.57 1xck h ALA 165 N 1.11 0.44 -0.12 3.43 0.00 -1.04 -1.93 119.26 121.15 1xck h ALA 165 Ca 0.20 -0.28 -0.04 0.00 0.00 0.00 0.00 54.91 54.78 1xck h ALA 165 Cb 0.13 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 1xck h ALA 165 CO -0.02 0.26 -0.11 0.52 0.00 0.00 0.00 179.25 179.90 1xck h MET 166 N 0.39 0.19 -0.45 0.00 2.86 -0.82 -1.55 114.93 115.57 1xck h MET 166 Ca 0.08 -0.04 -0.12 0.00 -2.06 0.00 0.00 59.70 57.57 1xck h MET 166 Cb 0.55 -0.03 -0.02 0.00 0.06 0.00 0.00 31.60 32.17 1xck h MET 166 CO 0.03 0.31 -0.19 0.22 1.06 0.00 0.00 176.91 178.34 1xck h ASP 167 N 0.18 0.88 0.55 1.22 3.58 -0.81 0.26 116.42 122.29 1xck h ASP 167 Ca 0.04 -0.31 -0.03 0.00 0.42 0.00 0.00 57.03 57.15 1xck h ASP 167 Cb 0.31 -0.24 0.01 0.00 1.72 0.00 0.00 39.33 41.13 1xck h ASP 167 CO 0.02 1.05 -0.26 0.11 -2.88 0.00 0.00 179.24 177.27 1xck h LYS 168 N 0.76 -0.71 -0.01 0.28 1.79 -0.51 -3.33 116.57 114.84 1xck h LYS 168 Ca 0.11 0.05 0.00 0.00 -2.18 0.00 0.00 60.65 58.63 1xck h LYS 168 Cb 0.72 0.16 0.00 0.00 -1.58 0.00 0.00 32.23 31.53 1xck h LYS 168 CO 0.06 -0.47 -0.04 1.33 -1.08 0.00 0.00 179.45 179.24 1xck n VAL 169 N -4.29 0.00 0.00 0.50 0.24 -0.82 -5.07 118.33 108.90 1xck n VAL 169 Ca -0.09 -0.23 0.00 0.00 -2.04 0.00 0.00 64.34 61.98 1xck n VAL 169 Cb 0.29 0.49 0.00 0.00 -1.47 0.00 0.00 33.84 33.15 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 1.20 -1.19 0.30 7.63 0.00 0.92 -2.96 105.19 111.09 1xck n GLY 170 Ca 0.18 -1.60 0.03 0.00 0.00 0.00 0.00 46.02 44.63 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 0.53 0.00 1.61 1.57 -1.94 -1.34 116.57 117.00 1xck h LYS 171 Ca 0.00 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.73 1xck h LYS 171 Cb 0.00 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 32.20 1xck h LYS 171 CO 0.00 0.40 -0.24 0.39 -0.57 0.00 0.00 179.45 179.43 1xck n GLU 172 N -4.43 0.05 -1.11 3.15 -0.58 -1.26 -4.94 120.64 111.51 1xck n GLU 172 Ca 0.03 0.03 -0.33 0.00 -0.42 0.00 0.00 57.16 56.46 1xck n GLU 172 Cb 0.10 -1.54 0.12 0.00 -0.57 0.00 0.00 31.44 29.55 1xck n GLU 172 CO 0.00 0.00 0.00 0.20 -0.48 0.00 0.00 177.13 176.85 1xck s GLY 173 N -3.11 2.07 -0.15 0.62 0.00 -0.51 -4.99 107.32 101.26 1xck s GLY 173 Ca 0.12 0.76 -0.23 0.00 0.00 0.00 0.00 44.72 45.37 1xck s GLY 173 CO 0.61 1.17 0.73 0.14 0.00 0.00 0.00 173.10 175.76 1xck s VAL 174 N -2.26 4.98 -0.11 1.40 1.01 -1.26 -4.94 120.40 119.21 1xck s VAL 174 Ca 0.71 1.43 0.02 0.00 0.00 0.00 0.00 61.98 64.15 1xck s VAL 174 Cb -0.27 -4.05 0.01 0.00 0.00 0.00 0.00 36.38 32.08 1xck s VAL 174 CO 0.51 0.12 -0.18 -0.63 0.00 0.00 0.00 175.10 174.92 1xck s ILE 175 N 1.65 1.72 0.19 2.22 1.01 -1.26 -0.10 121.20 126.63 1xck s ILE 175 Ca 0.35 -0.79 0.09 0.00 0.00 0.00 0.00 60.65 60.30 1xck s ILE 175 Cb -0.17 -1.54 -0.04 0.00 0.01 0.00 0.00 42.46 40.73 1xck s ILE 175 CO 0.13 0.48 -0.09 -0.89 0.00 0.00 0.00 174.94 174.57 1xck s THR 176 N 0.81 3.18 -0.03 2.92 2.01 0.55 -4.95 115.64 120.13 1xck s THR 176 Ca -0.09 -1.68 0.01 0.00 0.31 0.00 0.00 61.69 60.23 1xck s THR 176 Cb -0.16 -2.58 0.02 0.00 0.01 0.00 0.00 72.50 69.79 1xck s THR 176 CO 0.00 -0.13 -0.02 0.54 -0.69 0.00 0.00 174.62 174.33 1xck s VAL 177 N -1.74 0.32 0.20 3.82 0.11 -1.26 -0.17 120.40 121.68 1xck s VAL 177 Ca 0.25 -0.04 -0.04 0.00 -2.93 0.00 0.00 61.98 59.22 1xck s VAL 177 Cb -0.09 -0.36 -0.03 0.00 -1.53 0.00 0.00 36.38 34.37 1xck s VAL 177 CO 0.15 0.16 0.20 -1.83 -3.33 0.00 0.00 175.10 170.45 1xck s GLU 178 N 0.72 1.24 0.48 1.54 -1.05 -0.14 -4.95 118.70 116.54 1xck s GLU 178 Ca -0.08 -1.52 -0.22 0.00 -0.15 0.00 0.00 54.97 52.99 1xck s GLU 178 Cb -0.11 0.31 -0.09 0.00 -0.44 0.00 0.00 34.13 33.80 1xck s GLU 178 CO -0.01 -0.43 1.01 -0.25 0.95 0.00 0.00 175.26 176.53 1xck n ASP 179 N -0.28 1.19 -4.93 0.83 8.00 -1.26 -2.06 116.55 118.04 1xck n ASP 179 Ca 0.00 0.96 -0.25 0.00 0.71 0.00 0.00 54.79 56.22 1xck n ASP 179 Cb 0.65 -1.38 0.03 0.00 -0.02 0.00 0.00 41.12 40.41 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 -0.88 1.64 0.00 0.44 0.00 -0.59 -4.42 107.32 103.51 1xck s GLY 180 Ca 0.67 -0.89 0.26 0.00 0.00 0.00 0.00 44.72 44.76 1xck s GLY 180 CO 0.54 -0.61 1.60 -1.30 0.00 0.00 0.00 173.10 173.33 1xck n THR 181 N -2.49 0.06 0.00 0.90 -2.24 -1.26 -4.91 114.28 104.34 1xck n THR 181 Ca 0.05 -0.34 0.00 0.00 -2.27 0.00 0.00 64.05 61.49 1xck n THR 181 Cb 0.58 0.70 0.00 0.00 -2.10 0.00 0.00 70.33 69.51 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 1.22 4.42 0.34 3.38 0.00 -1.26 -5.04 105.19 108.24 1xck n GLY 182 Ca 0.18 -0.70 0.00 0.00 0.00 0.00 0.00 46.02 45.49 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 -4.51 117.00 112.22 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 -0.06 0.00 -1.75 1.96 6.02 -1.26 -4.70 117.38 117.60 1xck n GLN 184 Ca 0.00 0.00 -0.31 0.00 -0.01 0.00 0.00 57.00 56.68 1xck n GLN 184 Cb 0.00 0.00 0.03 0.00 1.02 0.00 0.00 30.24 31.29 1xck n GLN 184 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 1xck s ASP 185 N 0.00 5.74 -0.02 1.08 1.01 -1.26 -3.63 116.67 119.59 1xck s ASP 185 Ca 0.00 1.57 -0.01 0.00 0.71 0.00 0.00 52.55 54.82 1xck s ASP 185 Cb 0.00 -2.49 0.01 0.00 1.01 0.00 0.00 42.92 41.45 1xck s ASP 185 CO 0.00 -1.20 0.05 -1.61 0.21 0.00 0.00 175.17 172.62 1xck s GLU 186 N -4.94 0.05 -0.11 8.23 2.02 -0.72 -4.92 118.70 118.31 1xck s GLU 186 Ca 0.58 0.08 -0.00 0.00 0.02 0.00 0.00 54.97 55.65 1xck s GLU 186 Cb -0.13 -0.00 0.02 0.00 0.10 0.00 0.00 34.13 34.12 1xck s GLU 186 CO 0.52 -0.02 -0.08 -1.17 0.02 0.00 0.00 175.26 174.53 1xck s LEU 187 N 0.15 1.18 -0.04 1.80 2.96 -1.26 -0.73 118.68 122.74 1xck s LEU 187 Ca -0.01 -0.29 -0.04 0.00 -0.22 0.00 0.00 54.13 53.57 1xck s LEU 187 Cb -0.02 -0.83 0.01 0.00 0.50 0.00 0.00 46.19 45.86 1xck s LEU 187 CO -0.00 -0.12 0.10 -1.81 -1.32 0.00 0.00 176.35 173.20 1xck s ASP 188 N 1.68 -0.10 -0.18 3.68 1.01 -0.96 -4.97 116.67 116.83 1xck s ASP 188 Ca 0.04 0.19 -0.13 0.00 0.71 0.00 0.00 52.55 53.37 1xck s ASP 188 Cb -0.13 0.21 -0.05 0.00 1.01 0.00 0.00 42.92 43.97 1xck s ASP 188 CO -0.08 -0.05 0.24 -0.69 0.21 0.00 0.00 175.17 174.80 1xck s VAL 189 N -0.00 5.34 0.39 -1.27 1.01 -1.26 -0.48 120.40 124.12 1xck s VAL 189 Ca -0.01 0.43 0.04 0.00 0.00 0.00 0.00 61.98 62.44 1xck s VAL 189 Cb -0.01 -3.58 -0.01 0.00 0.00 0.00 0.00 36.38 32.78 1xck s VAL 189 CO 0.00 0.40 0.13 1.33 0.00 0.00 0.00 175.10 176.97 1xck n VAL 190 N 3.58 0.00 -2.25 2.92 0.24 -0.63 -4.91 118.33 117.29 1xck n VAL 190 Ca -0.13 -2.25 -0.43 0.00 -2.04 0.00 0.00 64.34 59.49 1xck n VAL 190 Cb 0.52 0.79 -0.02 0.00 -1.47 0.00 0.00 33.84 33.66 1xck n VAL 190 CO 0.00 0.00 0.00 -1.61 -2.14 0.00 0.00 176.83 173.08 1xck s GLU 191 N -3.48 4.23 0.17 7.34 0.41 -1.26 -0.96 118.70 125.14 1xck s GLU 191 Ca 0.19 1.89 -0.22 0.00 -0.41 0.00 0.00 54.97 56.42 1xck s GLU 191 Cb 0.01 -3.80 0.08 0.00 -1.78 0.00 0.00 34.13 28.64 1xck s GLU 191 CO 0.13 -0.72 1.06 0.41 -0.49 0.00 0.00 175.26 175.65 1xck n GLY 192 N 3.78 0.57 3.58 -1.39 0.00 -1.26 -0.51 105.19 109.95 1xck n GLY 192 Ca 0.15 -1.15 -0.07 0.00 0.00 0.00 0.00 46.02 44.95 1xck n GLY 192 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1xck s MET 193 N -2.05 0.95 -0.12 1.61 1.75 -0.58 -4.12 119.30 116.73 1xck s MET 193 Ca 0.24 -0.42 -0.08 0.00 -1.25 0.00 0.00 55.69 54.18 1xck s MET 193 Cb -0.03 0.39 0.04 0.00 2.84 0.00 0.00 34.83 38.08 1xck s MET 193 CO 0.05 -0.42 0.30 -1.14 -0.65 0.00 0.00 175.02 173.16 1xck s GLN 194 N -3.19 0.30 0.19 4.11 0.74 -1.26 -0.21 119.66 120.34 1xck s GLN 194 Ca 0.07 0.56 0.06 0.00 0.05 0.00 0.00 55.36 56.10 1xck s GLN 194 Cb -0.01 -0.00 -0.05 0.00 1.10 0.00 0.00 33.01 34.05 1xck s GLN 194 CO -0.06 -0.12 -0.10 -0.59 -0.55 0.00 0.00 175.29 173.87 1xck s PHE 195 N 0.93 1.53 -1.40 1.67 -0.71 -0.31 -5.00 117.98 114.69 1xck s PHE 195 Ca -0.06 -0.70 -0.14 0.00 -1.04 0.00 0.00 56.93 54.99 1xck s PHE 195 Cb -0.07 -0.77 0.07 0.00 -1.21 0.00 0.00 43.02 41.04 1xck s PHE 195 CO -0.07 0.19 2.07 -0.25 -1.34 0.00 0.00 175.22 175.82 1xck n ASP 196 N -0.33 4.28 -3.66 1.98 8.00 -1.26 -1.86 116.55 123.70 1xck n ASP 196 Ca -0.08 -2.90 -0.11 0.00 0.71 0.00 0.00 54.79 52.41 1xck n ASP 196 Cb 0.61 -1.64 -0.11 0.00 -0.02 0.00 0.00 41.12 39.96 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 2.84 0.25 0.00 -1.24 1.81 -1.17 -4.86 118.95 116.57 1xck s ARG 197 Ca 0.47 0.91 0.00 0.00 -1.72 0.00 0.00 55.73 55.39 1xck s ARG 197 Cb 0.11 0.17 0.00 0.00 -0.45 0.00 0.00 34.95 34.79 1xck s ARG 197 CO -0.05 -0.26 0.00 0.41 -0.68 0.00 0.00 175.30 174.72 1xck n GLY 198 N 5.36 1.17 3.75 -3.53 0.00 -1.25 -1.59 105.19 109.10 1xck n GLY 198 Ca -0.08 -2.00 -0.41 0.00 0.00 0.00 0.00 46.02 43.53 1xck n GLY 198 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1xck s TYR 199 N 0.66 3.10 -2.00 1.61 -0.85 -0.44 -4.46 117.35 114.97 1xck s TYR 199 Ca 0.00 1.24 0.06 0.00 -0.52 0.00 0.00 57.07 57.85 1xck s TYR 199 Cb 0.00 -3.70 0.36 0.00 0.38 0.00 0.00 41.96 39.00 1xck s TYR 199 CO 0.00 -2.10 0.91 1.28 -1.52 0.00 0.00 175.55 174.12 1xck n LEU 200 N 1.79 0.00 0.00 -3.49 4.77 -0.28 -4.70 117.00 115.09 1xck n LEU 200 Ca 0.04 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.02 1xck n LEU 200 Cb 0.42 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.51 1xck n LEU 200 CO 0.59 0.00 0.00 -0.24 -1.33 0.00 0.00 177.39 176.41 1xck n SER 201 N -0.65 0.00 -1.69 -1.43 2.88 -1.26 -5.08 113.62 106.39 1xck n SER 201 Ca 0.04 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.58 1xck n SER 201 Cb 0.02 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.48 1xck n SER 201 CO 0.00 0.00 0.00 -2.65 -1.23 0.00 0.00 175.04 171.16 1xck n PRO 202 N -0.11 2.92 0.00 -1.46 -0.02 -1.26 -3.56 135.00 131.51 1xck n PRO 202 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.48 1xck n PRO 202 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.48 1xck n PRO 202 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 1xck n TYR 203 N 0.00 0.00 0.25 6.00 4.01 -1.26 -4.15 117.16 122.00 1xck n TYR 203 Ca 0.00 0.00 0.17 0.00 -0.16 0.00 0.00 57.90 57.91 1xck n TYR 203 Cb 0.00 0.00 0.89 0.00 -0.31 0.00 0.00 39.34 39.92 1xck n TYR 203 CO 0.00 0.00 0.00 0.74 -0.46 0.00 0.00 176.86 177.14 1xck h PHE 204 N 0.00 0.00 -2.40 -0.72 0.04 -1.89 -3.41 116.94 108.56 1xck h PHE 204 Ca 0.00 0.00 -0.56 0.00 2.80 0.00 0.00 57.97 60.21 1xck h PHE 204 Cb 0.00 0.00 0.05 0.00 2.20 0.00 0.00 35.95 38.20 1xck h PHE 204 CO 0.00 0.00 0.99 -0.89 -0.60 0.00 0.00 178.31 177.81 1xck n ILE 205 N -3.63 0.21 -0.52 -0.55 5.41 -1.26 -4.69 119.36 114.33 1xck n ILE 205 Ca 0.00 -0.04 0.02 0.00 1.00 0.00 0.00 62.75 63.73 1xck n ILE 205 Cb 0.26 -1.88 0.02 0.00 -0.71 0.00 0.00 39.64 37.33 1xck n ILE 205 CO 0.00 0.00 0.00 -0.46 0.00 0.00 0.00 176.55 176.09 1xck n ASN 206 N 4.74 1.47 -3.16 4.38 0.23 -1.05 -4.76 115.26 117.11 1xck n ASN 206 Ca 0.18 -1.94 -0.20 0.00 -0.53 0.00 0.00 54.58 52.09 1xck n ASN 206 Cb 0.33 -0.08 -0.04 0.00 -2.08 0.00 0.00 39.78 37.91 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 -0.50 1.28 -0.59 -3.83 4.76 -0.87 -4.93 118.16 113.49 1xck n LYS 207 Ca 0.02 -3.59 0.47 0.00 -2.87 0.00 0.00 58.31 52.34 1xck n LYS 207 Cb 0.40 -1.74 0.77 0.00 -1.84 0.00 0.00 35.03 32.62 1xck n LYS 207 CO 0.00 0.00 0.00 -1.00 -1.37 0.00 0.00 177.40 175.03 1xck h PRO 208 N 3.13 0.02 0.40 1.97 0.13 -1.86 0.85 132.00 136.65 1xck h PRO 208 Ca 0.10 -0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.22 1xck h PRO 208 Cb 0.89 -0.00 -0.03 0.00 0.13 0.00 0.00 31.00 31.99 1xck h PRO 208 CO 0.55 0.01 -0.49 0.93 -0.23 0.00 0.00 178.00 178.77 1xck h GLU 209 N 0.02 -0.88 -0.01 0.86 3.07 -1.95 -2.50 114.58 113.19 1xck h GLU 209 Ca 0.87 0.06 0.00 0.00 -0.50 0.00 0.00 59.36 59.79 1xck h GLU 209 Cb 3.26 0.20 0.00 0.00 -0.84 0.00 0.00 28.75 31.37 1xck h GLU 209 CO -0.14 -0.59 -0.29 0.25 -1.40 0.00 0.00 179.01 176.84 1xck n THR 210 N -5.38 0.00 -2.85 1.13 -2.24 -0.07 -4.94 114.28 99.92 1xck n THR 210 Ca -0.11 -0.11 -0.21 0.00 -2.27 0.00 0.00 64.05 61.35 1xck n THR 210 Cb 0.43 0.38 0.03 0.00 -2.10 0.00 0.00 70.33 69.06 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 1.36 -0.46 3.59 3.38 0.00 0.28 -4.99 105.19 108.34 1xck n GLY 211 Ca 0.11 0.06 -0.25 0.00 0.00 0.00 0.00 46.02 45.95 1xck n GLY 211 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xck s ALA 212 N -3.12 3.07 -0.16 4.61 0.00 -1.14 -4.64 121.76 120.38 1xck s ALA 212 Ca 0.23 -1.95 -0.08 0.00 0.00 0.00 0.00 51.96 50.15 1xck s ALA 212 Cb -0.10 -0.31 -0.04 0.00 0.00 0.00 0.00 23.12 22.66 1xck s ALA 212 CO 0.28 0.12 0.12 0.08 0.00 0.00 0.00 175.76 176.37 1xck s VAL 213 N -2.52 5.37 -0.26 0.00 1.01 -0.27 -2.05 120.40 121.67 1xck s VAL 213 Ca 0.33 0.17 -0.03 0.00 0.00 0.00 0.00 61.98 62.45 1xck s VAL 213 Cb -0.01 -3.39 0.09 0.00 0.00 0.00 0.00 36.38 33.07 1xck s VAL 213 CO 0.18 0.52 0.10 -0.70 0.00 0.00 0.00 175.10 175.20 1xck s GLU 214 N -0.28 0.43 -0.08 2.72 2.12 -1.26 -0.59 118.70 121.76 1xck s GLU 214 Ca 0.11 -0.63 -0.03 0.00 0.36 0.00 0.00 54.97 54.78 1xck s GLU 214 Cb -0.12 -1.69 -0.04 0.00 0.26 0.00 0.00 34.13 32.55 1xck s GLU 214 CO 0.01 -0.89 0.04 -0.51 -0.54 0.00 0.00 175.26 173.37 1xck s LEU 215 N 1.91 3.79 -0.12 2.70 1.43 -0.87 -4.99 118.68 122.53 1xck s LEU 215 Ca 0.06 0.21 -0.00 0.00 -1.03 0.00 0.00 54.13 53.37 1xck s LEU 215 Cb -0.17 -1.93 -0.02 0.00 0.03 0.00 0.00 46.19 44.10 1xck s LEU 215 CO -0.24 0.37 -0.10 -1.61 0.23 0.00 0.00 176.35 175.00 1xck s GLU 216 N -1.04 3.25 -1.47 1.70 2.02 -1.26 -2.04 118.70 119.86 1xck s GLU 216 Ca 0.15 -0.62 -0.06 0.00 0.02 0.00 0.00 54.97 54.46 1xck s GLU 216 Cb -0.12 -2.67 0.05 0.00 0.10 0.00 0.00 34.13 31.49 1xck s GLU 216 CO 0.04 0.34 0.61 0.43 0.02 0.00 0.00 175.26 176.71 1xck n SER 217 N 3.17 -1.66 -4.89 -0.19 7.64 0.47 -4.54 113.62 113.61 1xck n SER 217 Ca -0.18 -0.95 -0.29 0.00 1.01 0.00 0.00 58.87 58.46 1xck n SER 217 Cb 0.53 -3.24 0.04 0.00 -1.01 0.00 0.00 64.21 60.52 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 -6.56 2.89 -0.16 1.43 0.04 -1.21 -4.51 135.00 126.92 1xck s PRO 218 Ca 0.25 0.31 -0.08 0.00 0.04 0.00 0.00 61.00 61.52 1xck s PRO 218 Cb -0.13 -2.10 -0.04 0.00 0.04 0.00 0.00 34.50 32.26 1xck s PRO 218 CO 0.88 -0.92 0.13 -0.06 0.04 0.00 0.00 177.00 177.07 1xck s PHE 219 N -3.24 3.49 -0.27 0.56 0.08 -0.45 -3.40 117.98 114.75 1xck s PHE 219 Ca 0.57 0.41 -0.05 0.00 0.12 0.00 0.00 56.93 57.98 1xck s PHE 219 Cb -0.11 -2.04 0.01 0.00 -0.57 0.00 0.00 43.02 40.31 1xck s PHE 219 CO 0.50 0.51 0.03 0.42 -0.10 0.00 0.00 175.22 176.58 1xck s ILE 220 N -0.36 3.64 -0.29 0.64 1.01 0.46 -0.73 121.20 125.57 1xck s ILE 220 Ca 0.11 -0.72 -0.20 0.00 0.00 0.00 0.00 60.65 59.84 1xck s ILE 220 Cb -0.12 -2.84 -0.01 0.00 0.01 0.00 0.00 42.46 39.51 1xck s ILE 220 CO 0.01 0.17 0.62 -0.22 0.00 0.00 0.00 174.94 175.52 1xck s LEU 221 N 1.46 4.11 -0.41 2.97 2.96 0.14 0.43 118.68 130.33 1xck s LEU 221 Ca 0.03 0.52 -0.10 0.00 -0.22 0.00 0.00 54.13 54.36 1xck s LEU 221 Cb -0.17 -2.81 0.07 0.00 0.50 0.00 0.00 46.19 43.78 1xck s LEU 221 CO 0.00 -0.43 0.26 -0.76 -1.32 0.00 0.00 176.35 174.10 1xck s LEU 222 N 2.55 5.10 -0.20 -0.68 1.43 -1.26 -0.68 118.68 124.95 1xck s LEU 222 Ca 0.25 -1.38 0.01 0.00 -1.03 0.00 0.00 54.13 51.98 1xck s LEU 222 Cb -0.15 -2.01 0.04 0.00 0.03 0.00 0.00 46.19 44.10 1xck s LEU 222 CO 0.10 -0.52 -0.12 0.00 0.23 0.00 0.00 176.35 176.05 1xck s ALA 223 N 1.47 2.09 -1.25 4.21 0.00 -0.68 -0.51 121.76 127.08 1xck s ALA 223 Ca 0.03 -1.24 -0.18 0.00 0.00 0.00 0.00 51.96 50.56 1xck s ALA 223 Cb -0.22 -1.28 0.08 0.00 0.00 0.00 0.00 23.12 21.69 1xck s ALA 223 CO 0.03 -0.77 1.66 0.34 0.00 0.00 0.00 175.76 177.03 1xck s ASP 224 N 1.36 6.83 0.00 0.00 2.15 -1.08 -3.08 116.67 122.85 1xck s ASP 224 Ca -0.01 -2.41 0.00 0.00 0.43 0.00 0.00 52.55 50.56 1xck s ASP 224 Cb -0.16 -2.55 0.00 0.00 -0.30 0.00 0.00 42.92 39.91 1xck s ASP 224 CO -0.09 -1.15 0.00 2.29 -0.17 0.00 0.00 175.17 176.06 1xck n LYS 225 N 8.07 -1.71 -3.74 4.34 2.85 -1.26 -3.83 118.16 122.89 1xck n LYS 225 Ca 0.45 0.00 -0.36 0.00 -1.05 0.00 0.00 58.31 57.36 1xck n LYS 225 Cb 0.46 0.00 -0.09 0.00 -0.65 0.00 0.00 35.03 34.75 1xck n LYS 225 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 177.40 177.50 1xck s LYS 226 N -2.00 4.09 -0.35 -1.58 1.02 -1.26 -0.54 119.74 119.12 1xck s LYS 226 Ca 0.00 -0.27 -0.13 0.00 0.02 0.00 0.00 55.97 55.59 1xck s LYS 226 Cb 0.00 -3.44 -0.01 0.00 -0.52 0.00 0.00 37.83 33.86 1xck s LYS 226 CO 0.00 0.18 0.24 0.42 -0.92 0.00 0.00 175.35 175.27 1xck s ILE 227 N 0.71 5.20 -0.06 2.17 1.01 0.49 -4.91 121.20 125.81 1xck s ILE 227 Ca 0.07 -0.35 0.05 0.00 0.00 0.00 0.00 60.65 60.42 1xck s ILE 227 Cb -0.12 -3.72 -0.07 0.00 0.01 0.00 0.00 42.46 38.55 1xck s ILE 227 CO 0.01 -0.07 0.13 -1.20 0.00 0.00 0.00 174.94 173.81 1xck n SER 228 N 5.10 2.91 -3.90 3.58 7.64 -1.26 -0.20 113.62 127.50 1xck n SER 228 Ca -0.12 -0.16 -0.27 0.00 1.01 0.00 0.00 58.87 59.32 1xck n SER 228 Cb 0.49 1.16 -0.17 0.00 -1.01 0.00 0.00 64.21 64.68 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 -2.26 2.41 0.00 6.43 0.01 -1.26 -1.43 114.94 118.84 1xck s ASN 229 Ca -0.01 -0.43 0.03 0.00 -0.71 0.00 0.00 52.86 51.74 1xck s ASN 229 Cb 0.03 -0.86 0.19 0.00 0.41 0.00 0.00 41.25 41.02 1xck s ASN 229 CO 0.20 -0.14 0.56 0.00 -1.51 0.00 0.00 177.10 176.21 1xck n ILE 230 N 4.92 0.00 -0.09 0.60 3.06 -1.26 -2.39 119.36 124.20 1xck n ILE 230 Ca -0.12 0.00 -0.07 0.00 -2.50 0.00 0.00 62.75 60.06 1xck n ILE 230 Cb 0.49 -0.78 0.11 0.00 0.54 0.00 0.00 39.64 40.00 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 0.77 -0.07 9.51 2.43 -1.99 -2.18 114.38 122.85 1xck h ARG 231 Ca 0.00 -0.28 -0.10 0.00 -0.81 0.00 0.00 59.98 58.79 1xck h ARG 231 Cb 0.00 -0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 29.49 1xck h ARG 231 CO 0.00 0.89 -0.42 0.93 -1.51 0.00 0.00 179.97 179.86 1xck h GLU 232 N 0.68 0.15 0.14 0.20 5.08 -1.88 -3.28 114.58 115.66 1xck h GLU 232 Ca 0.11 -0.07 -0.01 0.00 -1.00 0.00 0.00 59.36 58.39 1xck h GLU 232 Cb 0.66 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.91 1xck h GLU 232 CO 0.05 0.54 -0.06 0.52 -1.00 0.00 0.00 179.01 179.06 1xck h MET 233 N 0.12 -0.17 -0.14 2.33 2.86 -1.61 -3.31 114.93 115.01 1xck h MET 233 Ca 0.01 0.01 0.02 0.00 -2.06 0.00 0.00 59.70 57.68 1xck h MET 233 Cb 0.79 0.04 -0.02 0.00 0.06 0.00 0.00 31.60 32.47 1xck h MET 233 CO 0.06 0.15 -0.07 1.28 1.06 0.00 0.00 176.91 179.39 1xck n LEU 234 N -5.02 -0.12 -0.15 1.22 4.77 -0.87 0.52 117.00 117.34 1xck n LEU 234 Ca -0.09 0.24 -0.04 0.00 -0.03 0.00 0.00 56.01 56.10 1xck n LEU 234 Cb 0.21 -0.04 0.05 0.00 -2.33 0.00 0.00 43.42 41.32 1xck n LEU 234 CO 0.32 -0.21 0.96 1.55 -1.33 0.00 0.00 177.39 178.69 1xck h PRO 235 N 0.00 0.34 -0.23 3.23 0.13 -1.82 -0.33 132.00 133.32 1xck h PRO 235 Ca 0.03 -0.02 -0.16 0.00 -0.87 0.00 0.00 66.00 64.98 1xck h PRO 235 Cb 0.07 -0.08 -0.01 0.00 0.13 0.00 0.00 31.00 31.12 1xck h PRO 235 CO -0.13 0.22 -0.51 0.28 -0.23 0.00 0.00 178.00 177.63 1xck h VAL 236 N 0.35 1.30 -0.06 1.56 2.07 -0.16 -2.81 116.25 118.51 1xck h VAL 236 Ca 0.23 -1.73 -0.05 0.00 0.82 0.00 0.00 66.70 65.96 1xck h VAL 236 Cb 0.23 1.68 -0.01 0.00 -1.52 0.00 0.00 31.29 31.67 1xck h VAL 236 CO -0.23 0.55 -0.21 -0.07 0.02 0.00 0.00 177.57 177.63 1xck h LEU 237 N 0.51 0.10 -0.11 2.57 3.38 -0.52 -2.39 115.31 118.85 1xck h LEU 237 Ca 0.02 -0.02 -0.21 0.00 0.09 0.00 0.00 57.88 57.76 1xck h LEU 237 Cb 1.07 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 41.77 1xck h LEU 237 CO 0.10 0.32 -0.98 -0.33 0.09 0.00 0.00 178.44 177.65 1xck h GLU 238 N 0.10 0.07 -0.01 1.13 5.08 -0.98 -0.90 114.58 119.07 1xck h GLU 238 Ca 0.02 -0.10 -0.10 0.00 -1.00 0.00 0.00 59.36 58.18 1xck h GLU 238 Cb 0.44 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.71 1xck h GLU 238 CO 0.03 0.98 -0.47 0.00 -1.00 0.00 0.00 179.01 178.56 1xck h ALA 239 N 0.98 1.22 0.00 3.43 0.00 -1.22 -2.33 119.26 121.33 1xck h ALA 239 Ca -0.03 -0.43 -0.13 0.00 0.00 0.00 0.00 54.91 54.32 1xck h ALA 239 Cb 1.69 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 19.38 1xck h ALA 239 CO 0.14 0.59 -0.79 0.28 0.00 0.00 0.00 179.25 179.46 1xck h VAL 240 N 0.01 0.84 -0.12 0.00 2.07 -1.36 -3.25 116.25 114.45 1xck h VAL 240 Ca -0.00 -2.26 -0.01 0.00 0.82 0.00 0.00 66.70 65.25 1xck h VAL 240 Cb 0.83 2.35 -0.01 0.00 -1.52 0.00 0.00 31.29 32.95 1xck h VAL 240 CO 0.06 0.48 0.04 0.00 0.02 0.00 0.00 177.57 178.17 1xck h ALA 241 N 1.44 0.15 -3.40 1.67 0.00 -0.70 -3.21 119.26 115.21 1xck h ALA 241 Ca -0.05 -0.11 -0.39 0.00 0.00 0.00 0.00 54.91 54.36 1xck h ALA 241 Cb 1.47 -0.05 0.19 0.00 0.00 0.00 0.00 17.79 19.41 1xck h ALA 241 CO 0.07 -0.24 0.12 1.63 0.00 0.00 0.00 179.25 180.82 1xck n LYS 242 N -4.89 -3.07 0.00 0.00 5.02 -0.92 -2.60 118.16 111.70 1xck n LYS 242 Ca -0.05 -1.73 0.00 0.00 -2.02 0.00 0.00 58.31 54.51 1xck n LYS 242 Cb 0.13 -1.61 0.00 0.00 -0.02 0.00 0.00 35.03 33.53 1xck n LYS 242 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1xck n ALA 243 N -4.82 0.00 -3.73 7.82 0.00 -1.26 -4.12 120.51 114.40 1xck n ALA 243 Ca -0.20 0.00 -0.26 0.00 0.00 0.00 0.00 53.44 52.98 1xck n ALA 243 Cb 0.58 0.00 0.05 0.00 0.00 0.00 0.00 19.45 20.08 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 -0.20 -0.48 3.52 0.00 0.00 -1.07 -5.02 105.19 101.94 1xck n GLY 244 Ca 0.00 0.20 -0.26 0.00 0.00 0.00 0.00 46.02 45.96 1xck n GLY 244 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1xck s LYS 245 N -6.31 1.85 1.02 1.61 1.02 -1.21 -5.09 119.74 112.63 1xck s LYS 245 Ca 0.49 -1.47 -0.15 0.00 0.02 0.00 0.00 55.97 54.86 1xck s LYS 245 Cb -0.23 -1.99 0.20 0.00 -0.52 0.00 0.00 37.83 35.29 1xck s LYS 245 CO 0.78 0.39 1.15 -1.25 -0.92 0.00 0.00 175.35 175.50 1xck s PRO 246 N -3.04 0.24 -0.02 -1.68 0.04 -1.26 -4.77 135.00 124.50 1xck s PRO 246 Ca 0.26 0.14 -0.00 0.00 0.04 0.00 0.00 61.00 61.43 1xck s PRO 246 Cb -0.07 -1.75 0.03 0.00 0.04 0.00 0.00 34.50 32.75 1xck s PRO 246 CO 0.14 -2.77 0.03 -1.17 0.04 0.00 0.00 177.00 173.27 1xck s LEU 247 N -6.36 0.97 -0.25 -3.56 2.96 -0.11 -1.35 118.68 110.98 1xck s LEU 247 Ca 0.67 0.05 -0.08 0.00 -0.22 0.00 0.00 54.13 54.55 1xck s LEU 247 Cb -0.13 -0.07 -0.03 0.00 0.50 0.00 0.00 46.19 46.46 1xck s LEU 247 CO 0.55 -0.14 0.09 -0.22 -1.32 0.00 0.00 176.35 175.31 1xck s LEU 248 N 1.20 3.57 -0.36 -0.68 2.96 0.09 -1.61 118.68 123.84 1xck s LEU 248 Ca -0.07 -0.15 -0.14 0.00 -0.22 0.00 0.00 54.13 53.54 1xck s LEU 248 Cb -0.13 -1.96 -0.01 0.00 0.50 0.00 0.00 46.19 44.59 1xck s LEU 248 CO -0.03 -0.02 0.30 -0.63 -1.32 0.00 0.00 176.35 174.65 1xck s ILE 249 N 1.57 5.23 -0.38 6.68 -1.09 0.75 -0.69 121.20 133.27 1xck s ILE 249 Ca 0.06 -0.24 -0.01 0.00 -2.23 0.00 0.00 60.65 58.23 1xck s ILE 249 Cb -0.15 -3.81 0.10 0.00 -1.58 0.00 0.00 42.46 37.02 1xck s ILE 249 CO 0.05 -0.12 0.15 -0.63 -1.23 0.00 0.00 174.94 173.15 1xck s ILE 250 N 1.83 2.99 0.47 2.92 1.01 0.15 -0.45 121.20 130.11 1xck s ILE 250 Ca 0.08 -2.09 0.02 0.00 0.00 0.00 0.00 60.65 58.66 1xck s ILE 250 Cb -0.17 -3.06 -0.01 0.00 0.01 0.00 0.00 42.46 39.22 1xck s ILE 250 CO 0.11 -0.63 0.07 0.00 0.00 0.00 0.00 174.94 174.50 1xck s ALA 251 N 1.08 3.55 0.43 9.38 0.00 -1.09 -1.68 121.76 133.42 1xck s ALA 251 Ca 0.08 -0.73 0.11 0.00 0.00 0.00 0.00 51.96 51.42 1xck s ALA 251 Cb -0.22 0.41 0.93 0.00 0.00 0.00 0.00 23.12 24.25 1xck s ALA 251 CO -0.05 -0.19 1.99 1.49 0.00 0.00 0.00 175.76 179.00 1xck h GLU 252 N 1.55 0.18 -1.05 0.00 4.81 -0.74 0.80 114.58 120.12 1xck h GLU 252 Ca -0.39 -0.03 0.33 0.00 -0.13 0.00 0.00 59.36 59.14 1xck h GLU 252 Cb 1.30 -0.03 -0.21 0.00 0.63 0.00 0.00 28.75 30.44 1xck h GLU 252 CO 0.64 0.26 0.98 0.34 -0.73 0.00 0.00 179.01 180.50 1xck s ASP 253 N -6.92 -0.01 -0.21 1.04 -1.08 -1.23 -4.41 116.67 103.85 1xck s ASP 253 Ca -0.05 -0.00 -0.02 0.00 -0.52 0.00 0.00 52.55 51.96 1xck s ASP 253 Cb 0.16 0.01 0.06 0.00 -1.46 0.00 0.00 42.92 41.70 1xck s ASP 253 CO 0.71 -0.02 0.02 -0.69 0.52 0.00 0.00 175.17 175.71 1xck s VAL 254 N -2.04 0.75 0.41 1.11 1.01 -1.26 -0.38 120.40 120.01 1xck s VAL 254 Ca 0.12 -0.73 0.07 0.00 0.00 0.00 0.00 61.98 61.44 1xck s VAL 254 Cb -0.01 -1.22 -0.04 0.00 0.00 0.00 0.00 36.38 35.12 1xck s VAL 254 CO -0.02 -0.20 0.27 -1.61 0.00 0.00 0.00 175.10 173.53 1xck s GLU 255 N 1.75 2.36 0.00 2.72 2.02 0.72 -4.59 118.70 123.69 1xck s GLU 255 Ca -0.02 -1.70 0.00 0.00 0.02 0.00 0.00 54.97 53.27 1xck s GLU 255 Cb -0.17 -2.16 0.00 0.00 0.10 0.00 0.00 34.13 31.90 1xck s GLU 255 CO -0.08 -0.15 0.00 0.41 0.02 0.00 0.00 175.26 175.46 1xck n GLY 256 N -1.37 0.07 0.34 -1.39 0.00 -1.26 -1.95 105.19 99.63 1xck n GLY 256 Ca 0.01 0.02 -0.03 0.00 0.00 0.00 0.00 46.02 46.02 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 -0.10 0.15 1.61 4.22 -1.94 0.47 114.58 118.99 1xck h GLU 257 Ca 0.00 0.01 -0.00 0.00 0.08 0.00 0.00 59.36 59.44 1xck h GLU 257 Cb 0.00 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.27 1xck h GLU 257 CO 0.00 -0.07 -0.10 0.00 -2.18 0.00 0.00 179.01 176.66 1xck h ALA 258 N 1.21 -0.23 -0.26 2.92 0.00 -0.75 0.43 119.26 122.59 1xck h ALA 258 Ca 0.28 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 55.15 1xck h ALA 258 Cb 0.56 0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.47 1xck h ALA 258 CO -0.76 -0.64 0.15 1.25 0.00 0.00 0.00 179.25 179.26 1xck h LEU 259 N -0.25 0.31 -0.46 0.00 5.85 -0.71 -1.52 115.31 118.53 1xck h LEU 259 Ca -0.01 -0.06 0.05 0.00 0.84 0.00 0.00 57.88 58.71 1xck h LEU 259 Cb 0.22 -0.08 -0.05 0.00 0.37 0.00 0.00 40.66 41.12 1xck h LEU 259 CO 0.00 0.27 0.18 0.00 -0.34 0.00 0.00 178.44 178.56 1xck h ALA 260 N 1.05 0.57 -0.68 1.25 0.00 0.06 0.38 119.26 121.89 1xck h ALA 260 Ca 0.09 0.05 -0.06 0.00 0.00 0.00 0.00 54.91 54.99 1xck h ALA 260 Cb 0.02 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 17.79 1xck h ALA 260 CO -0.02 -0.20 0.20 1.15 0.00 0.00 0.00 179.25 180.39 1xck h THR 261 N 0.37 1.26 -0.09 0.00 2.02 -0.71 -2.52 112.91 113.24 1xck h THR 261 Ca 0.22 -0.89 -0.01 0.00 0.77 0.00 0.00 66.41 66.49 1xck h THR 261 Cb 0.19 0.54 -0.00 0.00 -1.74 0.00 0.00 68.15 67.14 1xck h THR 261 CO -0.20 0.34 0.00 -0.07 0.37 0.00 0.00 175.52 175.96 1xck h LEU 262 N 1.00 0.15 -1.82 2.58 3.38 -0.88 -0.32 115.31 119.40 1xck h LEU 262 Ca 0.22 -0.31 0.15 0.00 0.09 0.00 0.00 57.88 58.04 1xck h LEU 262 Cb 0.31 -0.04 -0.03 0.00 0.09 0.00 0.00 40.66 40.99 1xck h LEU 262 CO -0.00 0.42 0.44 0.58 0.09 0.00 0.00 178.44 179.97 1xck h VAL 263 N -0.12 0.76 0.07 1.22 2.07 -0.86 -2.00 116.25 117.39 1xck h VAL 263 Ca 0.02 -0.06 -0.00 0.00 0.82 0.00 0.00 66.70 67.48 1xck h VAL 263 Cb 0.34 0.56 0.00 0.00 -1.52 0.00 0.00 31.29 30.67 1xck h VAL 263 CO 0.00 0.03 -0.03 0.58 0.02 0.00 0.00 177.57 178.17 1xck h VAL 264 N 0.18 0.00 -0.68 2.57 2.07 -1.17 -3.17 116.25 116.05 1xck h VAL 264 Ca 0.31 -0.77 0.13 0.00 0.82 0.00 0.00 66.70 67.20 1xck h VAL 264 Cb 0.96 0.00 -0.13 0.00 -1.52 0.00 0.00 31.29 30.60 1xck h VAL 264 CO -0.05 0.00 -0.18 0.78 0.02 0.00 0.00 177.57 178.13 1xck h ASN 265 N -0.86 -0.68 0.46 0.57 -0.26 -0.86 0.32 115.58 114.27 1xck h ASN 265 Ca -0.01 0.21 -0.04 0.00 -0.56 0.00 0.00 56.30 55.90 1xck h ASN 265 Cb 0.07 0.44 -0.01 0.00 -1.06 0.00 0.00 38.32 37.76 1xck h ASN 265 CO 0.02 -0.23 -0.18 0.71 -1.06 0.00 0.00 177.43 176.68 1xck h THR 266 N -0.01 0.70 -0.18 2.81 1.35 -1.42 -1.58 112.91 114.57 1xck h THR 266 Ca 0.32 -0.77 -0.00 0.00 -0.55 0.00 0.00 66.41 65.41 1xck h THR 266 Cb 0.50 1.48 -0.00 0.00 -1.73 0.00 0.00 68.15 68.40 1xck h THR 266 CO -0.70 0.18 0.00 0.80 -0.25 0.00 0.00 175.52 175.55 1xck n MET 267 N -3.69 2.24 -0.39 4.72 0.00 0.11 -3.05 117.12 117.05 1xck n MET 267 Ca -0.01 -1.00 0.00 0.00 -0.00 0.00 0.00 57.70 56.69 1xck n MET 267 Cb 0.30 -1.74 0.00 0.00 0.00 0.00 0.00 33.22 31.78 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 0.20 0.00 -0.63 2.12 1.74 -0.68 -4.98 116.66 114.42 1xck n ARG 268 Ca 0.09 -0.69 0.00 0.00 -0.77 0.00 0.00 57.85 56.48 1xck n ARG 268 Cb 0.55 -0.39 0.00 0.00 -1.02 0.00 0.00 32.46 31.61 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 0.00 0.43 2.59 -0.13 0.00 -1.17 -4.85 105.19 102.05 1xck n GLY 269 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 1xck n GLY 269 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1xck n ILE 270 N -2.00 3.80 -0.63 -0.61 5.41 -0.69 -4.65 119.36 119.99 1xck n ILE 270 Ca 0.00 -2.91 0.00 0.00 1.00 0.00 0.00 62.75 60.84 1xck n ILE 270 Cb 0.00 -2.60 0.00 0.00 -0.71 0.00 0.00 39.64 36.33 1xck n ILE 270 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 176.55 177.07 1xck n VAL 271 N 4.49 -1.75 -2.56 1.39 0.31 -1.26 -4.31 118.33 114.64 1xck n VAL 271 Ca 0.61 0.00 -0.43 0.00 -0.01 0.00 0.00 64.34 64.51 1xck n VAL 271 Cb 0.33 -2.12 -0.02 0.00 -0.91 0.00 0.00 33.84 31.12 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 -2.51 4.24 0.10 5.55 3.01 -1.26 -3.57 119.74 125.29 1xck s LYS 272 Ca 0.00 1.47 0.01 0.00 -1.01 0.00 0.00 55.97 56.45 1xck s LYS 272 Cb 0.00 -3.70 -0.04 0.00 -1.01 0.00 0.00 37.83 33.08 1xck s LYS 272 CO 0.00 -0.67 -0.06 0.08 0.51 0.00 0.00 175.35 175.21 1xck s VAL 273 N 3.35 0.64 -0.22 3.17 1.01 -1.26 -0.93 120.40 126.15 1xck s VAL 273 Ca 0.48 -1.92 -0.16 0.00 0.00 0.00 0.00 61.98 60.38 1xck s VAL 273 Cb -0.18 -1.69 0.06 0.00 0.00 0.00 0.00 36.38 34.58 1xck s VAL 273 CO 0.10 -0.87 0.57 0.00 0.00 0.00 0.00 175.10 174.90 1xck s ALA 274 N -3.66 -1.47 0.02 5.51 0.00 -0.63 -4.87 121.76 116.65 1xck s ALA 274 Ca 0.12 1.85 0.08 0.00 0.00 0.00 0.00 51.96 54.02 1xck s ALA 274 Cb 0.06 -1.09 -0.02 0.00 0.00 0.00 0.00 23.12 22.06 1xck s ALA 274 CO -0.05 -0.30 -0.25 0.00 0.00 0.00 0.00 175.76 175.15 1xck s ALA 275 N 0.99 2.13 -0.00 0.00 0.00 -1.26 -0.18 121.76 123.44 1xck s ALA 275 Ca -0.05 -1.17 -0.07 0.00 0.00 0.00 0.00 51.96 50.66 1xck s ALA 275 Cb -0.05 -0.48 0.00 0.00 0.00 0.00 0.00 23.12 22.59 1xck s ALA 275 CO -0.09 0.51 0.14 0.14 0.00 0.00 0.00 175.76 176.46 1xck s VAL 276 N -0.72 0.08 0.55 0.00 -7.23 0.40 -1.13 120.40 112.35 1xck s VAL 276 Ca 0.10 -0.65 -0.20 0.00 -1.81 0.00 0.00 61.98 59.42 1xck s VAL 276 Cb -0.10 -0.43 -0.05 0.00 0.56 0.00 0.00 36.38 36.37 1xck s VAL 276 CO 0.01 -0.36 1.20 -0.54 -0.31 0.00 0.00 175.10 175.10 1xck s LYS 277 N -1.31 3.26 0.74 4.82 1.02 -1.26 -2.67 119.74 124.34 1xck s LYS 277 Ca -0.14 1.82 -0.13 0.00 0.02 0.00 0.00 55.97 57.54 1xck s LYS 277 Cb -0.07 -2.10 0.04 0.00 -0.52 0.00 0.00 37.83 35.18 1xck s LYS 277 CO 0.02 -0.97 1.12 0.00 -0.92 0.00 0.00 175.35 174.59 1xck s ALA 278 N -1.58 2.25 0.38 5.17 0.00 0.28 -4.78 121.76 123.47 1xck s ALA 278 Ca 0.72 0.48 -0.26 0.00 0.00 0.00 0.00 51.96 52.91 1xck s ALA 278 Cb -0.30 -3.33 -0.09 0.00 0.00 0.00 0.00 23.12 19.40 1xck s ALA 278 CO 0.34 -1.69 1.13 -1.25 0.00 0.00 0.00 175.76 174.29 1xck s PRO 279 N -4.44 4.18 2.38 0.00 0.04 -1.26 -4.87 135.00 131.03 1xck s PRO 279 Ca 0.66 1.76 0.00 0.00 0.04 0.00 0.00 61.00 63.45 1xck s PRO 279 Cb -0.20 -2.73 0.00 0.00 0.04 0.00 0.00 34.50 31.60 1xck s PRO 279 CO 0.49 -0.19 0.00 0.41 0.04 0.00 0.00 177.00 177.75 1xck n GLY 280 N 0.65 -0.45 3.64 0.56 0.00 -1.26 -4.40 105.19 103.93 1xck n GLY 280 Ca 0.04 -1.09 -0.11 0.00 0.00 0.00 0.00 46.02 44.85 1xck n GLY 280 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1xck s PHE 281 N 0.00 0.51 0.00 1.61 -0.71 -1.26 -4.83 117.98 113.29 1xck s PHE 281 Ca 0.00 -0.92 0.00 0.00 -1.04 0.00 0.00 56.93 54.97 1xck s PHE 281 Cb 0.00 0.31 0.00 0.00 -1.21 0.00 0.00 43.02 42.12 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 -0.50 2.39 0.08 1.99 0.00 -1.26 -2.51 105.19 105.39 1xck n GLY 282 Ca -0.03 -0.47 -0.14 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 9.72 0.14 -0.04 1.61 3.32 -2.01 -3.18 116.42 125.97 1xck h ASP 283 Ca 0.00 -0.61 0.01 0.00 0.02 0.00 0.00 57.03 56.45 1xck h ASP 283 Cb 0.00 -0.04 -0.00 0.00 0.22 0.00 0.00 39.33 39.51 1xck h ASP 283 CO 0.00 0.72 0.09 0.08 -1.72 0.00 0.00 179.24 178.41 1xck h ARG 284 N -0.44 0.00 -0.36 3.56 0.11 -1.98 0.21 114.38 115.48 1xck h ARG 284 Ca -0.00 0.00 -0.09 0.00 0.10 0.00 0.00 59.98 59.98 1xck h ARG 284 Cb 0.71 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 31.77 1xck h ARG 284 CO 0.02 0.00 -0.16 -0.09 0.10 0.00 0.00 179.97 179.84 1xck h ARG 285 N 0.00 0.66 -0.11 0.08 2.43 -1.47 -1.94 114.38 114.03 1xck h ARG 285 Ca 0.02 -0.23 -0.17 0.00 -0.81 0.00 0.00 59.98 58.80 1xck h ARG 285 Cb 0.20 -0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 29.69 1xck h ARG 285 CO -0.00 0.79 -0.64 0.87 -1.51 0.00 0.00 179.97 179.47 1xck h LYS 286 N 0.59 0.42 -0.52 0.20 1.57 -0.68 -2.01 116.57 116.13 1xck h LYS 286 Ca 0.10 -0.30 -0.08 0.00 -1.87 0.00 0.00 60.65 58.49 1xck h LYS 286 Cb 0.61 0.05 -0.02 0.00 0.08 0.00 0.00 32.23 32.95 1xck h LYS 286 CO 0.04 0.92 0.01 0.00 -0.57 0.00 0.00 179.45 179.86 1xck h ALA 287 N 1.00 0.70 -0.15 3.86 0.00 -1.14 -2.67 119.26 120.86 1xck h ALA 287 Ca -0.01 -0.28 -0.12 0.00 0.00 0.00 0.00 54.91 54.50 1xck h ALA 287 Cb 1.19 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.78 1xck h ALA 287 CO 0.11 0.51 -0.41 0.52 0.00 0.00 0.00 179.25 179.98 1xck h MET 288 N 0.78 0.34 -0.03 0.00 2.86 -1.32 -0.92 114.93 116.64 1xck h MET 288 Ca 0.15 -0.17 -0.01 0.00 -2.06 0.00 0.00 59.70 57.61 1xck h MET 288 Cb 0.51 -0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.16 1xck h MET 288 CO 0.02 0.70 -0.03 -0.07 1.06 0.00 0.00 176.91 178.59 1xck h LEU 289 N 0.29 0.04 0.01 1.22 3.38 -1.09 -0.22 115.31 118.94 1xck h LEU 289 Ca 0.03 -0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.88 1xck h LEU 289 Cb 0.84 -0.01 0.01 0.00 0.09 0.00 0.00 40.66 41.59 1xck h LEU 289 CO 0.07 0.08 -0.44 -0.61 0.09 0.00 0.00 178.44 177.63 1xck h GLN 290 N 0.05 0.28 -0.58 1.13 5.75 -1.04 -2.40 115.11 118.30 1xck h GLN 290 Ca 0.01 -0.31 0.12 0.00 -0.15 0.00 0.00 58.65 58.31 1xck h GLN 290 Cb 0.09 0.09 -0.11 0.00 1.07 0.00 0.00 27.48 28.62 1xck h GLN 290 CO 0.00 1.03 -0.14 -0.44 -2.65 0.00 0.00 178.83 176.64 1xck h ASP 291 N -0.34 -0.52 -0.82 -0.69 3.32 -0.25 0.23 116.42 117.36 1xck h ASP 291 Ca -0.06 0.17 -0.00 0.00 0.02 0.00 0.00 57.03 57.16 1xck h ASP 291 Cb 1.19 0.35 -0.04 0.00 0.22 0.00 0.00 39.33 41.05 1xck h ASP 291 CO 0.09 -0.19 0.51 0.40 -1.72 0.00 0.00 179.24 178.33 1xck h ILE 292 N 0.01 1.22 0.13 0.35 2.04 -1.11 -1.38 117.51 118.77 1xck h ILE 292 Ca 0.28 -0.47 0.01 0.00 1.00 0.00 0.00 64.86 65.68 1xck h ILE 292 Cb 0.43 0.05 -0.02 0.00 -0.74 0.00 0.00 36.82 36.54 1xck h ILE 292 CO -0.59 0.23 -0.16 0.00 0.00 0.00 0.00 178.15 177.63 1xck h ALA 293 N 1.28 -0.29 0.09 1.87 0.00 -0.15 -0.13 119.26 121.93 1xck h ALA 293 Ca 0.30 -0.04 0.01 0.00 0.00 0.00 0.00 54.91 55.18 1xck h ALA 293 Cb -0.07 0.23 -0.05 0.00 0.00 0.00 0.00 17.79 17.91 1xck h ALA 293 CO -0.06 -0.69 -0.50 1.15 0.00 0.00 0.00 179.25 179.15 1xck h THR 294 N -0.33 0.00 -1.00 0.00 2.02 -0.42 0.45 112.91 113.63 1xck h THR 294 Ca 0.01 0.00 0.22 0.00 0.77 0.00 0.00 66.41 67.41 1xck h THR 294 Cb 0.32 0.00 -0.11 0.00 -1.74 0.00 0.00 68.15 66.63 1xck h THR 294 CO -0.06 0.00 0.61 0.25 0.37 0.00 0.00 175.52 176.69 1xck h LEU 295 N -0.69 0.69 -2.05 2.58 7.12 -1.07 -1.50 115.31 120.39 1xck h LEU 295 Ca -0.00 0.10 0.00 0.00 0.13 0.00 0.00 57.88 58.11 1xck h LEU 295 Cb 0.71 -0.02 0.00 0.00 -0.53 0.00 0.00 40.66 40.82 1xck h LEU 295 CO -0.28 0.20 0.00 0.35 -0.13 0.00 0.00 178.44 178.57 1xck n THR 296 N -4.76 0.20 -3.43 1.05 -2.24 -0.08 -1.61 114.28 103.42 1xck n THR 296 Ca 0.24 -0.59 -0.21 0.00 -2.27 0.00 0.00 64.05 61.22 1xck n THR 296 Cb 0.67 1.26 0.07 0.00 -2.10 0.00 0.00 70.33 70.23 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 1.41 -0.38 3.78 3.38 0.00 0.14 -1.32 105.19 112.19 1xck n GLY 297 Ca 0.16 0.14 -0.30 0.00 0.00 0.00 0.00 46.02 46.03 1xck n GLY 297 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1xck s GLY 298 N -3.24 2.72 -0.09 -0.02 0.00 -0.18 -4.57 107.32 101.95 1xck s GLY 298 Ca 0.50 -1.04 0.05 0.00 0.00 0.00 0.00 44.72 44.23 1xck s GLY 298 CO 0.62 -2.09 -0.24 -1.59 0.00 0.00 0.00 173.10 169.80 1xck s THR 299 N -2.80 2.04 0.04 0.90 2.01 0.64 -4.44 115.64 114.05 1xck s THR 299 Ca 0.20 -1.03 -0.30 0.00 0.31 0.00 0.00 61.69 60.88 1xck s THR 299 Cb 0.02 -1.76 -0.04 0.00 0.01 0.00 0.00 72.50 70.73 1xck s THR 299 CO 0.12 0.56 1.05 -0.69 -0.69 0.00 0.00 174.62 174.96 1xck s VAL 300 N 0.19 4.54 -1.01 3.82 1.01 -1.26 -4.49 120.40 123.20 1xck s VAL 300 Ca -0.14 1.86 -0.11 0.00 0.00 0.00 0.00 61.98 63.59 1xck s VAL 300 Cb -0.17 -4.19 0.25 0.00 0.00 0.00 0.00 36.38 32.27 1xck s VAL 300 CO 0.07 0.17 1.00 -0.63 0.00 0.00 0.00 175.10 175.71 1xck s ILE 301 N 0.86 5.82 -0.07 2.22 1.01 0.33 -4.96 121.20 126.41 1xck s ILE 301 Ca 0.53 -3.03 -0.16 0.00 0.00 0.00 0.00 60.65 58.00 1xck s ILE 301 Cb -0.24 -4.57 -0.05 0.00 0.01 0.00 0.00 42.46 37.61 1xck s ILE 301 CO 0.29 -1.15 0.40 -0.94 0.00 0.00 0.00 174.94 173.55 1xck s SER 302 N 1.70 6.69 0.29 3.58 1.04 -1.26 -2.64 113.70 123.10 1xck s SER 302 Ca 0.26 0.81 0.02 0.00 0.48 0.00 0.00 55.95 57.53 1xck s SER 302 Cb -0.10 -2.25 0.45 0.00 0.10 0.00 0.00 66.02 64.23 1xck s SER 302 CO -0.08 0.17 1.76 -0.33 0.98 0.00 0.00 173.24 175.74 1xck h GLU 303 N 5.78 0.52 -0.33 4.02 5.08 -1.75 -2.41 114.58 125.49 1xck h GLU 303 Ca -0.46 -0.17 0.07 0.00 -1.00 0.00 0.00 59.36 57.80 1xck h GLU 303 Cb 1.19 -0.05 -0.08 0.00 0.50 0.00 0.00 28.75 30.31 1xck h GLU 303 CO 0.69 0.67 -0.35 0.93 -1.00 0.00 0.00 179.01 179.95 1xck h GLU 304 N 0.47 -0.30 0.00 2.33 5.08 -1.90 0.89 114.58 121.15 1xck h GLU 304 Ca 0.08 0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.46 1xck h GLU 304 Cb 0.56 0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.88 1xck h GLU 304 CO 0.04 -0.20 0.00 -0.89 -1.00 0.00 0.00 179.01 176.95 1xck n ILE 305 N -5.42 0.69 -1.11 3.13 5.41 -1.18 -4.83 119.36 116.05 1xck n ILE 305 Ca -0.01 0.17 0.00 0.00 1.00 0.00 0.00 62.75 63.92 1xck n ILE 305 Cb 0.34 -0.99 0.00 0.00 -0.71 0.00 0.00 39.64 38.28 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 -0.36 0.62 3.86 7.39 0.00 0.31 -5.06 105.19 111.95 1xck n GLY 306 Ca 0.05 -0.78 -0.32 0.00 0.00 0.00 0.00 46.02 44.98 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 -2.33 3.90 0.00 1.61 -1.94 -0.92 -5.00 119.30 114.64 1xck s MET 307 Ca 0.00 0.52 0.08 0.00 -1.71 0.00 0.00 55.69 54.58 1xck s MET 307 Cb 0.00 -2.48 -0.02 0.00 2.01 0.00 0.00 34.83 34.34 1xck s MET 307 CO 0.00 0.16 -0.24 -1.21 -0.01 0.00 0.00 175.02 173.72 1xck s GLU 308 N -3.12 1.84 0.52 2.03 2.02 -1.26 -4.29 118.70 116.43 1xck s GLU 308 Ca 0.52 -0.92 0.28 0.00 0.02 0.00 0.00 54.97 54.86 1xck s GLU 308 Cb -0.10 -1.85 1.42 0.00 0.10 0.00 0.00 34.13 33.69 1xck s GLU 308 CO 0.21 0.50 2.05 -0.07 0.02 0.00 0.00 175.26 177.97 1xck h LEU 309 N 5.29 0.00 -0.78 1.80 3.38 -1.92 -2.35 115.31 120.73 1xck h LEU 309 Ca -0.43 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.42 1xck h LEU 309 Cb 1.13 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.87 1xck h LEU 309 CO 0.46 0.12 -0.43 -0.33 0.09 0.00 0.00 178.44 178.36 1xck h GLU 310 N 0.00 0.41 -0.76 1.13 3.07 -1.94 -2.65 114.58 113.84 1xck h GLU 310 Ca -0.00 -0.21 0.00 0.00 -0.50 0.00 0.00 59.36 58.65 1xck h GLU 310 Cb 0.37 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.29 1xck h GLU 310 CO 0.02 0.76 0.00 1.63 -1.40 0.00 0.00 179.01 180.02 1xck n LYS 311 N -4.01 2.33 -3.23 2.33 5.02 -0.89 -4.79 118.16 114.91 1xck n LYS 311 Ca -0.02 -1.15 -0.39 0.00 -2.02 0.00 0.00 58.31 54.74 1xck n LYS 311 Cb 0.51 -1.70 -0.06 0.00 -0.02 0.00 0.00 35.03 33.77 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 3.48 0.29 7.82 0.00 -1.00 -4.95 121.76 125.74 1xck s ALA 312 Ca 0.20 -0.03 0.10 0.00 0.00 0.00 0.00 51.96 52.23 1xck s ALA 312 Cb 0.15 -2.72 -0.05 0.00 0.00 0.00 0.00 23.12 20.50 1xck s ALA 312 CO 0.07 0.11 -0.06 0.95 0.00 0.00 0.00 175.76 176.83 1xck s THR 313 N 0.07 2.99 0.55 0.00 -4.23 -1.26 -4.48 115.64 109.27 1xck s THR 313 Ca 0.30 -2.07 0.21 0.00 -1.18 0.00 0.00 61.69 58.94 1xck s THR 313 Cb -0.17 -2.67 0.21 0.00 1.34 0.00 0.00 72.50 71.20 1xck s THR 313 CO 0.15 -0.35 1.61 -0.07 -0.54 0.00 0.00 174.62 175.42 1xck h LEU 314 N 1.98 0.00 0.00 4.79 3.38 -1.93 0.19 115.31 123.72 1xck h LEU 314 Ca -0.43 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.46 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 0.62 0.00 -0.61 -0.08 0.09 0.00 0.00 178.44 178.45 1xck h GLU 315 N 0.00 0.00 -0.14 1.13 4.81 -2.00 -3.24 114.58 115.15 1xck h GLU 315 Ca 0.00 0.00 -0.13 0.00 -0.13 0.00 0.00 59.36 59.10 1xck h GLU 315 Cb 0.93 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.30 1xck h GLU 315 CO 0.00 0.31 -0.47 -0.44 -0.73 0.00 0.00 179.01 177.69 1xck h ASP 316 N 0.00 0.37 -3.90 1.04 3.32 -0.98 -3.43 116.42 112.84 1xck h ASP 316 Ca -0.03 -0.17 -0.56 0.00 0.02 0.00 0.00 57.03 56.29 1xck h ASP 316 Cb 1.30 -0.10 0.14 0.00 0.22 0.00 0.00 39.33 40.89 1xck h ASP 316 CO 0.04 0.78 0.51 0.18 -1.72 0.00 0.00 179.24 179.04 1xck n LEU 317 N -3.98 5.11 -4.97 1.55 4.32 -1.22 0.24 117.00 118.03 1xck n LEU 317 Ca -0.02 0.96 -0.27 0.00 -0.02 0.00 0.00 56.01 56.67 1xck n LEU 317 Cb 0.53 -1.54 0.15 0.00 -1.62 0.00 0.00 43.42 40.95 1xck n LEU 317 CO 0.44 -0.80 0.71 -0.83 -1.22 0.00 0.00 177.39 175.69 1xck s GLY 318 N -0.94 1.78 -0.28 -0.72 0.00 0.17 -4.30 107.32 103.03 1xck s GLY 318 Ca 0.72 -1.58 -0.25 0.00 0.00 0.00 0.00 44.72 43.61 1xck s GLY 318 CO 0.49 -0.88 0.87 1.62 0.00 0.00 0.00 173.10 175.21 1xck s GLN 319 N -5.52 0.68 0.15 2.90 0.74 -0.44 -0.41 119.66 117.76 1xck s GLN 319 Ca 0.71 0.81 -0.07 0.00 0.05 0.00 0.00 55.36 56.87 1xck s GLN 319 Cb -0.04 0.33 -0.02 0.00 1.10 0.00 0.00 33.01 34.38 1xck s GLN 319 CO 0.49 -0.08 0.21 0.00 -0.55 0.00 0.00 175.29 175.36 1xck s ALA 320 N 0.32 0.24 0.04 1.58 0.00 -1.22 -1.24 121.76 121.48 1xck s ALA 320 Ca 0.01 -1.04 0.19 0.00 0.00 0.00 0.00 51.96 51.12 1xck s ALA 320 Cb -0.05 0.85 0.53 0.00 0.00 0.00 0.00 23.12 24.44 1xck s ALA 320 CO -0.03 -0.60 1.66 0.87 0.00 0.00 0.00 175.76 177.67 1xck h LYS 321 N 2.65 0.00 -1.68 0.00 1.57 -0.82 -3.20 116.57 115.09 1xck h LYS 321 Ca -0.33 0.00 0.04 0.00 -1.87 0.00 0.00 60.65 58.50 1xck h LYS 321 Cb 1.22 0.00 -0.22 0.00 0.08 0.00 0.00 32.23 33.31 1xck h LYS 321 CO 0.52 0.37 0.45 0.50 -0.57 0.00 0.00 179.45 180.71 1xck s ARG 322 N -3.39 0.71 -0.01 3.15 3.52 -0.90 -0.39 118.95 121.64 1xck s ARG 322 Ca 0.02 0.21 -0.00 0.00 -0.13 0.00 0.00 55.73 55.82 1xck s ARG 322 Cb 0.09 0.34 0.01 0.00 -1.56 0.00 0.00 34.95 33.83 1xck s ARG 322 CO 0.69 -0.21 0.02 0.14 -0.81 0.00 0.00 175.30 175.13 1xck s VAL 323 N -1.05 -0.01 -0.07 7.11 -7.23 -0.87 0.28 120.40 118.57 1xck s VAL 323 Ca -0.04 0.04 0.04 0.00 -1.81 0.00 0.00 61.98 60.21 1xck s VAL 323 Cb -0.01 -0.04 0.00 0.00 0.56 0.00 0.00 36.38 36.90 1xck s VAL 323 CO 0.03 0.02 -0.18 -0.69 -0.31 0.00 0.00 175.10 173.97 1xck s VAL 324 N 0.21 1.57 -0.12 1.32 1.01 -0.63 -2.05 120.40 121.71 1xck s VAL 324 Ca -0.02 -0.75 0.02 0.00 0.00 0.00 0.00 61.98 61.23 1xck s VAL 324 Cb -0.03 -1.37 0.01 0.00 0.00 0.00 0.00 36.38 35.00 1xck s VAL 324 CO -0.01 0.45 -0.18 -0.63 0.00 0.00 0.00 175.10 174.73 1xck s ILE 325 N 0.36 1.76 0.00 2.22 1.01 0.24 -0.92 121.20 125.88 1xck s ILE 325 Ca -0.13 -0.80 0.00 0.00 0.00 0.00 0.00 60.65 59.72 1xck s ILE 325 Cb -0.15 -1.58 0.00 0.00 0.01 0.00 0.00 42.46 40.73 1xck s ILE 325 CO 0.05 0.49 0.00 0.59 0.00 0.00 0.00 174.94 176.07 1xck n ASN 326 N 4.14 0.00 0.18 3.58 3.02 0.40 -1.11 115.26 125.47 1xck n ASN 326 Ca -0.19 -0.91 0.04 0.00 -0.03 0.00 0.00 54.58 53.49 1xck n ASN 326 Cb 0.51 0.00 0.31 0.00 -0.61 0.00 0.00 39.78 39.99 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 -1.17 116.57 120.63 1xck h LYS 327 Ca 0.00 0.00 -0.11 0.00 -1.27 0.00 0.00 60.65 59.27 1xck h LYS 327 Cb 0.00 0.00 -0.21 0.00 -0.41 0.00 0.00 32.23 31.61 1xck h LYS 327 CO 0.00 0.41 -0.70 -0.40 -2.27 0.00 0.00 179.45 176.50 1xck n ASP 328 N -3.57 0.36 -3.72 4.20 5.68 -1.26 -3.86 116.55 114.38 1xck n ASP 328 Ca -0.00 -1.92 -0.12 0.00 -0.50 0.00 0.00 54.79 52.24 1xck n ASP 328 Cb 0.53 -0.17 -0.10 0.00 -1.14 0.00 0.00 41.12 40.24 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 -0.01 -0.12 2.12 2.01 -1.20 -3.06 115.64 115.39 1xck s THR 329 Ca 0.17 0.03 0.01 0.00 0.31 0.00 0.00 61.69 62.21 1xck s THR 329 Cb 0.19 -0.59 0.02 0.00 0.01 0.00 0.00 72.50 72.13 1xck s THR 329 CO -0.08 0.01 -0.13 -0.89 -0.69 0.00 0.00 174.62 172.83 1xck s THR 330 N 0.59 1.41 -0.14 -0.82 2.01 -0.62 0.15 115.64 118.22 1xck s THR 330 Ca -0.03 -0.57 0.00 0.00 0.31 0.00 0.00 61.69 61.40 1xck s THR 330 Cb -0.05 -1.31 0.03 0.00 0.01 0.00 0.00 72.50 71.18 1xck s THR 330 CO -0.04 0.43 -0.11 0.28 -0.69 0.00 0.00 174.62 174.49 1xck s THR 331 N 1.20 1.38 -0.35 -0.82 -1.32 -0.10 -1.17 115.64 114.47 1xck s THR 331 Ca -0.02 -0.56 -0.19 0.00 -1.21 0.00 0.00 61.69 59.71 1xck s THR 331 Cb -0.14 -1.35 -0.00 0.00 -1.51 0.00 0.00 72.50 69.49 1xck s THR 331 CO -0.04 0.39 0.55 -0.63 -2.21 0.00 0.00 174.62 172.67 1xck s ILE 332 N 1.56 4.98 -0.32 5.08 1.01 0.71 -1.60 121.20 132.62 1xck s ILE 332 Ca 0.04 0.41 -0.11 0.00 0.00 0.00 0.00 60.65 60.99 1xck s ILE 332 Cb -0.13 -3.99 -0.01 0.00 0.01 0.00 0.00 42.46 38.33 1xck s ILE 332 CO -0.10 -0.24 0.18 -0.63 0.00 0.00 0.00 174.94 174.16 1xck s ILE 333 N 2.47 4.88 -0.36 2.92 1.01 0.14 -1.53 121.20 130.74 1xck s ILE 333 Ca 0.20 -0.30 -0.10 0.00 0.00 0.00 0.00 60.65 60.46 1xck s ILE 333 Cb -0.15 -3.48 0.01 0.00 0.01 0.00 0.00 42.46 38.85 1xck s ILE 333 CO 0.14 0.06 0.46 -0.67 0.00 0.00 0.00 174.94 174.92 1xck n ASP 334 N 5.03 -6.37 -4.86 3.58 2.03 0.33 -2.11 116.55 114.17 1xck n ASP 334 Ca -0.13 0.31 -0.31 0.00 0.52 0.00 0.00 54.79 55.18 1xck n ASP 334 Cb 0.50 -4.23 0.01 0.00 -0.72 0.00 0.00 41.12 36.67 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 -2.29 1.68 0.28 0.27 0.00 -0.65 -1.40 107.32 105.22 1xck s GLY 335 Ca 0.15 -0.06 0.17 0.00 0.00 0.00 0.00 44.72 44.98 1xck s GLY 335 CO 0.56 0.21 1.38 -2.08 0.00 0.00 0.00 173.10 173.17 1xck h VAL 336 N -0.30 0.57 -0.92 1.40 2.07 -1.20 -3.46 116.25 114.42 1xck h VAL 336 Ca -0.44 -1.84 -0.66 0.00 0.82 0.00 0.00 66.70 64.57 1xck h VAL 336 Cb 1.19 2.22 0.08 0.00 -1.52 0.00 0.00 31.29 33.26 1xck h VAL 336 CO 0.62 0.33 -0.24 0.61 0.02 0.00 0.00 177.57 178.90 1xck n GLY 337 N 1.22 -0.98 3.74 2.17 0.00 -0.63 -4.79 105.19 105.90 1xck n GLY 337 Ca 0.01 0.49 -0.41 0.00 0.00 0.00 0.00 46.02 46.10 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 -0.49 4.35 0.38 1.61 0.41 -1.26 -4.85 118.70 118.85 1xck s GLU 338 Ca 0.70 2.11 0.17 0.00 -0.41 0.00 0.00 54.97 57.54 1xck s GLU 338 Cb -0.99 -3.19 1.08 0.00 -1.78 0.00 0.00 34.13 29.25 1xck s GLU 338 CO 0.52 -0.31 1.75 0.93 -0.49 0.00 0.00 175.26 177.65 1xck h GLU 339 N 5.52 0.40 -0.11 1.61 5.08 -1.98 0.21 114.58 125.31 1xck h GLU 339 Ca -0.45 -0.02 0.03 0.00 -1.00 0.00 0.00 59.36 57.92 1xck h GLU 339 Cb 1.21 -0.09 -0.06 0.00 0.50 0.00 0.00 28.75 30.31 1xck h GLU 339 CO 0.79 0.26 -0.50 0.00 -1.00 0.00 0.00 179.01 178.56 1xck h ALA 340 N 1.65 -0.79 0.92 3.43 0.00 -1.98 0.67 119.26 123.16 1xck h ALA 340 Ca 0.62 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 55.45 1xck h ALA 340 Cb 1.52 0.92 0.00 0.00 0.00 0.00 0.00 17.79 20.24 1xck h ALA 340 CO -0.35 -1.03 -0.49 0.00 0.00 0.00 0.00 179.25 177.38 1xck h ALA 341 N -0.15 -1.33 -0.89 0.00 0.00 -1.02 -1.27 119.26 114.60 1xck h ALA 341 Ca 0.05 -0.28 0.16 0.00 0.00 0.00 0.00 54.91 54.84 1xck h ALA 341 Cb 0.67 0.56 -0.10 0.00 0.00 0.00 0.00 17.79 18.92 1xck h ALA 341 CO -0.41 -1.25 0.48 0.82 0.00 0.00 0.00 179.25 178.89 1xck h ILE 342 N -1.29 0.71 -0.04 0.00 2.04 -1.04 0.21 117.51 118.10 1xck h ILE 342 Ca -0.13 -0.22 -0.14 0.00 1.00 0.00 0.00 64.86 65.37 1xck h ILE 342 Cb 1.01 0.00 -0.01 0.00 -0.74 0.00 0.00 36.82 37.07 1xck h ILE 342 CO 0.18 0.12 -0.61 -0.61 0.00 0.00 0.00 178.15 177.23 1xck h GLN 343 N 0.65 0.15 -0.13 2.37 5.75 0.44 -1.98 115.11 122.37 1xck h GLN 343 Ca 0.50 -0.11 -0.16 0.00 -0.15 0.00 0.00 58.65 58.74 1xck h GLN 343 Cb 0.73 0.02 -0.01 0.00 1.07 0.00 0.00 27.48 29.29 1xck h GLN 343 CO -0.38 0.72 -0.58 0.78 -2.65 0.00 0.00 178.83 176.72 1xck h GLY 344 N 1.61 0.44 1.00 2.39 0.00 0.20 -1.41 103.07 107.31 1xck h GLY 344 Ca -0.01 -0.54 -0.07 0.00 0.00 0.00 0.00 47.33 46.72 1xck h GLY 344 CO 0.09 0.48 0.05 -0.09 0.00 0.00 0.00 176.54 177.07 1xck h ARG 345 N 0.31 0.88 -0.72 4.80 9.65 -0.46 -1.02 114.38 127.80 1xck h ARG 345 Ca -0.00 -0.26 -0.06 0.00 -1.10 0.00 0.00 59.98 58.57 1xck h ARG 345 Cb 1.11 -0.09 -0.03 0.00 -1.39 0.00 0.00 29.97 29.57 1xck h ARG 345 CO 0.10 0.88 0.23 0.28 2.80 0.00 0.00 179.97 184.27 1xck h VAL 346 N 0.75 1.26 -0.40 0.20 2.07 -1.23 -2.40 116.25 116.49 1xck h VAL 346 Ca 0.15 -0.88 0.04 0.00 0.82 0.00 0.00 66.70 66.84 1xck h VAL 346 Cb 0.46 0.45 -0.04 0.00 -1.52 0.00 0.00 31.29 30.64 1xck h VAL 346 CO 0.02 0.35 0.16 0.00 0.02 0.00 0.00 177.57 178.11 1xck h ALA 347 N 1.18 0.48 0.46 1.67 0.00 -0.75 0.85 119.26 123.14 1xck h ALA 347 Ca 0.23 0.04 -0.02 0.00 0.00 0.00 0.00 54.91 55.16 1xck h ALA 347 Cb 0.29 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 1xck h ALA 347 CO -0.01 -0.22 -0.32 1.96 0.00 0.00 0.00 179.25 180.66 1xck h GLN 348 N 0.34 -0.71 -0.66 0.00 4.20 -0.74 -1.81 115.11 115.72 1xck h GLN 348 Ca 0.18 0.05 0.13 0.00 0.06 0.00 0.00 58.65 59.07 1xck h GLN 348 Cb 0.13 0.16 -0.10 0.00 0.30 0.00 0.00 27.48 27.98 1xck h GLN 348 CO -0.16 -0.48 0.15 0.82 -0.67 0.00 0.00 178.83 178.49 1xck h ILE 349 N -0.74 0.58 -0.92 2.54 2.04 -1.39 0.48 117.51 120.10 1xck h ILE 349 Ca -0.06 -0.09 0.12 0.00 1.00 0.00 0.00 64.86 65.83 1xck h ILE 349 Cb 0.60 0.30 -0.07 0.00 -0.74 0.00 0.00 36.82 36.91 1xck h ILE 349 CO 0.04 0.05 0.59 -0.09 0.00 0.00 0.00 178.15 178.74 1xck h ARG 350 N 0.26 0.83 -0.09 2.37 2.43 -0.72 -1.06 114.38 118.41 1xck h ARG 350 Ca 0.36 -0.05 -0.22 0.00 -0.81 0.00 0.00 59.98 59.25 1xck h ARG 350 Cb 0.57 -0.19 0.01 0.00 -0.42 0.00 0.00 29.97 29.94 1xck h ARG 350 CO -0.45 0.55 -0.82 0.37 -1.51 0.00 0.00 179.97 178.11 1xck h GLN 351 N 0.85 0.71 -0.31 0.20 4.15 -0.08 -3.11 115.11 117.53 1xck h GLN 351 Ca 0.45 -0.65 0.09 0.00 0.77 0.00 0.00 58.65 59.31 1xck h GLN 351 Cb 0.53 0.16 -0.01 0.00 0.21 0.00 0.00 27.48 28.37 1xck h GLN 351 CO -0.21 1.25 0.23 1.96 -1.93 0.00 0.00 178.83 180.12 1xck h GLN 352 N 0.40 0.00 0.00 1.69 4.20 0.07 0.38 115.11 121.85 1xck h GLN 352 Ca -0.08 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.63 1xck h GLN 352 Cb 1.46 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 29.24 1xck h GLN 352 CO 0.17 0.00 -0.02 0.82 -0.67 0.00 0.00 178.83 179.12 1xck h ILE 353 N 0.00 0.13 0.04 2.54 2.04 -1.21 0.20 117.51 121.25 1xck h ILE 353 Ca 0.15 -0.28 -0.00 0.00 1.00 0.00 0.00 64.86 65.73 1xck h ILE 353 Cb 0.60 1.24 0.00 0.00 -0.74 0.00 0.00 36.82 37.92 1xck h ILE 353 CO -0.00 0.02 -0.02 -0.33 0.00 0.00 0.00 178.15 177.82 1xck h GLU 354 N 0.00 -0.05 0.00 2.37 4.39 -0.36 -3.19 114.58 117.74 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 0.24 0.01 0.00 0.00 -0.10 0.00 0.00 28.75 28.90 1xck h GLU 354 CO 0.00 0.55 0.00 0.39 -1.16 0.00 0.00 179.01 178.79 1xck n GLU 355 N -4.74 0.17 -1.58 2.33 1.02 -0.93 -4.75 120.64 112.16 1xck n GLU 355 Ca -0.07 0.16 -0.46 0.00 -0.02 0.00 0.00 57.16 56.77 1xck n GLU 355 Cb 0.30 -1.50 -0.04 0.00 -0.02 0.00 0.00 31.44 30.18 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 -1.24 1.46 -0.32 0.62 0.00 0.01 -4.84 120.51 116.20 1xck n ALA 356 Ca 0.05 -0.08 0.08 0.00 0.00 0.00 0.00 53.44 53.50 1xck n ALA 356 Cb 0.07 -2.74 0.32 0.00 0.00 0.00 0.00 19.45 17.10 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 7.01 1.57 -3.74 0.00 -2.24 -1.26 -4.90 114.28 110.71 1xck n THR 357 Ca 0.31 -1.02 -0.13 0.00 -2.27 0.00 0.00 64.05 60.94 1xck n THR 357 Cb 0.37 0.09 -0.10 0.00 -2.10 0.00 0.00 70.33 68.58 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 -0.85 -0.40 0.13 3.42 0.15 -1.26 -5.05 113.70 109.85 1xck s SER 358 Ca 0.45 0.76 -0.18 0.00 0.70 0.00 0.00 55.95 57.68 1xck s SER 358 Cb 0.29 0.76 -0.02 0.00 -1.71 0.00 0.00 66.02 65.34 1xck s SER 358 CO 0.22 -0.13 1.77 0.44 1.20 0.00 0.00 173.24 176.73 1xck h ASP 359 N 5.65 0.19 0.19 5.45 3.32 -1.99 0.01 116.42 129.24 1xck h ASP 359 Ca -0.27 0.01 0.01 0.00 0.02 0.00 0.00 57.03 56.80 1xck h ASP 359 Cb 1.18 -0.03 -0.03 0.00 0.22 0.00 0.00 39.33 40.67 1xck h ASP 359 CO 0.27 0.15 -0.31 0.22 -1.72 0.00 0.00 179.24 177.85 1xck h TYR 360 N 0.27 -0.84 -0.95 4.55 3.20 -1.99 -0.60 116.97 120.61 1xck h TYR 360 Ca 0.10 0.01 0.13 0.00 3.14 0.00 0.00 58.73 62.12 1xck h TYR 360 Cb 0.03 0.34 -0.09 0.00 1.54 0.00 0.00 36.73 38.55 1xck h TYR 360 CO -0.09 -0.42 0.57 -0.44 -1.64 0.00 0.00 178.16 176.14 1xck h ASP 361 N -0.57 0.80 0.21 -2.11 5.19 -1.92 -1.25 116.42 116.77 1xck h ASP 361 Ca 0.01 0.06 -0.01 0.00 -0.62 0.00 0.00 57.03 56.48 1xck h ASP 361 Cb 0.57 -0.09 0.00 0.00 0.18 0.00 0.00 39.33 39.99 1xck h ASP 361 CO -0.14 0.39 -0.10 -0.09 -3.12 0.00 0.00 179.24 176.18 1xck h ARG 362 N 0.86 -0.27 -0.73 3.56 2.43 -0.39 -2.37 114.38 117.48 1xck h ARG 362 Ca 0.49 0.02 0.03 0.00 -0.81 0.00 0.00 59.98 59.72 1xck h ARG 362 Cb 0.57 0.06 -0.05 0.00 -0.42 0.00 0.00 29.97 30.14 1xck h ARG 362 CO -0.30 -0.11 0.46 0.93 -1.51 0.00 0.00 179.97 179.43 1xck h GLU 363 N -0.37 0.86 -0.88 0.20 5.08 -0.44 -1.05 114.58 117.99 1xck h GLU 363 Ca -0.03 -0.05 0.04 0.00 -1.00 0.00 0.00 59.36 58.32 1xck h GLU 363 Cb 0.28 -0.19 -0.06 0.00 0.50 0.00 0.00 28.75 29.28 1xck h GLU 363 CO 0.05 0.57 0.56 0.87 -1.00 0.00 0.00 179.01 180.06 1xck h LYS 364 N 0.89 1.04 -0.54 2.33 1.79 -1.14 -0.10 116.57 120.83 1xck h LYS 364 Ca 0.29 -0.06 -0.10 0.00 -2.18 0.00 0.00 60.65 58.60 1xck h LYS 364 Cb 0.03 -0.23 -0.02 0.00 -1.58 0.00 0.00 32.23 30.43 1xck h LYS 364 CO -0.12 0.69 -0.06 -0.07 -1.08 0.00 0.00 179.45 178.81 1xck h LEU 365 N 1.07 0.98 -1.49 2.94 3.38 -0.84 -2.51 115.31 118.84 1xck h LEU 365 Ca 0.36 -0.33 -0.02 0.00 0.09 0.00 0.00 57.88 57.97 1xck h LEU 365 Cb 0.06 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.52 1xck h LEU 365 CO -0.13 1.08 0.07 1.56 0.09 0.00 0.00 178.44 181.12 1xck h GLN 366 N 0.86 0.41 0.48 1.13 4.20 -0.47 -1.37 115.11 120.34 1xck h GLN 366 Ca 0.14 -0.06 -0.02 0.00 0.06 0.00 0.00 58.65 58.78 1xck h GLN 366 Cb 0.62 -0.08 0.00 0.00 0.30 0.00 0.00 27.48 28.32 1xck h GLN 366 CO 0.04 0.38 -0.24 0.93 -0.67 0.00 0.00 178.83 179.27 1xck h GLU 367 N 0.41 -0.63 -0.42 1.46 5.08 -0.62 -1.53 114.58 118.32 1xck h GLU 367 Ca 0.10 0.04 0.04 0.00 -1.00 0.00 0.00 59.36 58.54 1xck h GLU 367 Cb 0.15 0.14 -0.04 0.00 0.50 0.00 0.00 28.75 29.51 1xck h GLU 367 CO -0.00 -0.42 0.20 0.00 -1.00 0.00 0.00 179.01 177.78 1xck h ARG 368 N -0.66 0.39 -0.48 2.33 3.08 -1.04 -1.38 114.38 116.62 1xck h ARG 368 Ca -0.06 -0.02 -0.02 0.00 0.07 0.00 0.00 59.98 59.95 1xck h ARG 368 Cb 0.51 -0.09 -0.02 0.00 0.08 0.00 0.00 29.97 30.45 1xck h ARG 368 CO 0.10 0.26 0.23 -0.39 -1.07 0.00 0.00 179.97 179.10 1xck h VAL 369 N 0.40 1.19 -0.85 2.04 -1.51 -1.26 -1.31 116.25 114.95 1xck h VAL 369 Ca 0.18 -0.53 0.14 0.00 -1.23 0.00 0.00 66.70 65.26 1xck h VAL 369 Cb 0.10 0.65 -0.09 0.00 -2.13 0.00 0.00 31.29 29.82 1xck h VAL 369 CO -0.14 0.21 0.45 0.00 -1.23 0.00 0.00 177.57 176.86 1xck h ALA 370 N 1.08 1.28 0.35 5.19 0.00 -0.81 0.85 119.26 127.20 1xck h ALA 370 Ca 0.17 0.08 -0.02 0.00 0.00 0.00 0.00 54.91 55.13 1xck h ALA 370 Cb 0.11 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.87 1xck h ALA 370 CO -0.02 -0.05 -0.17 0.87 0.00 0.00 0.00 179.25 179.88 1xck h LYS 371 N 0.66 -0.45 0.58 0.00 1.57 -0.76 0.15 116.57 118.33 1xck h LYS 371 Ca 0.46 0.03 -0.02 0.00 -1.87 0.00 0.00 60.65 59.24 1xck h LYS 371 Cb 0.61 0.10 -0.00 0.00 0.08 0.00 0.00 32.23 33.02 1xck h LYS 371 CO -0.34 -0.14 -0.32 1.25 -0.57 0.00 0.00 179.45 179.33 1xck h LEU 372 N -0.78 -0.80 -0.89 2.94 5.85 -0.73 -3.17 115.31 117.73 1xck h LEU 372 Ca -0.05 0.04 -0.06 0.00 0.84 0.00 0.00 57.88 58.65 1xck h LEU 372 Cb 0.52 0.22 -0.03 0.00 0.37 0.00 0.00 40.66 41.74 1xck h LEU 372 CO 0.08 -0.52 0.16 0.00 -0.34 0.00 0.00 178.44 177.82 1xck h ALA 373 N -0.46 1.10 0.00 1.25 0.00 0.62 -3.26 119.26 118.51 1xck h ALA 373 Ca -0.07 -0.22 -0.05 0.00 0.00 0.00 0.00 54.91 54.56 1xck h ALA 373 Cb 0.67 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 1xck h ALA 373 CO 0.09 0.61 -0.26 0.78 0.00 0.00 0.00 179.25 180.47 1xck h GLY 374 N 1.04 0.00 0.00 0.00 0.00 -0.68 -3.49 103.07 99.93 1xck h GLY 374 Ca 0.20 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.53 1xck h GLY 374 CO -0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.15 1xck n GLY 375 N -0.75 -0.41 2.79 4.60 0.00 -1.20 -4.86 105.19 105.36 1xck n GLY 375 Ca -0.02 -1.07 -0.16 0.00 0.00 0.00 0.00 46.02 44.76 1xck n GLY 375 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1xck s VAL 376 N 0.00 -0.10 0.36 1.61 1.01 -0.14 -4.50 120.40 118.65 1xck s VAL 376 Ca 0.00 0.29 -0.27 0.00 0.00 0.00 0.00 61.98 62.00 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 0.12 1.16 0.00 0.00 0.00 0.00 175.10 176.38 1xck s ALA 377 N 1.57 3.25 -0.16 5.51 0.00 0.86 -1.60 121.76 131.20 1xck s ALA 377 Ca -0.03 0.97 -0.01 0.00 0.00 0.00 0.00 51.96 52.89 1xck s ALA 377 Cb -0.12 -3.37 0.04 0.00 0.00 0.00 0.00 23.12 19.67 1xck s ALA 377 CO -0.04 -0.43 -0.05 0.08 0.00 0.00 0.00 175.76 175.32 1xck s VAL 378 N -1.34 1.07 -0.23 0.00 1.01 0.36 -0.33 120.40 120.94 1xck s VAL 378 Ca 0.53 -0.60 -0.12 0.00 0.00 0.00 0.00 61.98 61.80 1xck s VAL 378 Cb -0.31 -1.25 -0.05 0.00 0.00 0.00 0.00 36.38 34.77 1xck s VAL 378 CO 0.40 0.13 0.21 -0.63 0.00 0.00 0.00 175.10 175.21 1xck s ILE 379 N 1.65 5.33 -0.23 2.22 1.01 0.76 -2.26 121.20 129.67 1xck s ILE 379 Ca 0.01 0.28 -0.05 0.00 0.00 0.00 0.00 60.65 60.89 1xck s ILE 379 Cb -0.15 -3.54 -0.02 0.00 0.01 0.00 0.00 42.46 38.76 1xck s ILE 379 CO -0.08 0.33 0.00 -0.54 0.00 0.00 0.00 174.94 174.65 1xck s LYS 380 N 1.11 3.48 -0.38 2.79 1.02 0.10 -0.97 119.74 126.89 1xck s LYS 380 Ca 0.10 -0.57 -0.22 0.00 0.02 0.00 0.00 55.97 55.30 1xck s LYS 380 Cb -0.14 -3.14 0.01 0.00 -0.52 0.00 0.00 37.83 34.05 1xck s LYS 380 CO 0.05 -0.20 0.72 0.08 -0.92 0.00 0.00 175.35 175.08 1xck s VAL 381 N 1.53 4.78 0.49 3.17 1.01 -0.88 -1.75 120.40 128.77 1xck s VAL 381 Ca 0.06 0.64 -0.03 0.00 0.00 0.00 0.00 61.98 62.65 1xck s VAL 381 Cb -0.15 -4.18 -0.01 0.00 0.00 0.00 0.00 36.38 32.05 1xck s VAL 381 CO -0.01 -0.45 0.76 -0.83 0.00 0.00 0.00 175.10 174.57 1xck s GLY 382 N 1.89 1.55 0.00 4.51 0.00 -1.24 -1.55 107.32 112.48 1xck s GLY 382 Ca 0.28 -0.84 0.00 0.00 0.00 0.00 0.00 44.72 44.16 1xck s GLY 382 CO 0.17 -0.64 0.00 0.00 0.00 0.00 0.00 173.10 172.63 1xck n ALA 383 N -2.25 0.00 -1.86 3.20 0.00 -1.26 -4.35 120.51 113.99 1xck n ALA 383 Ca 0.02 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.45 1xck n ALA 383 Cb 0.57 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.02 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 -4.67 120.51 111.21 1xck n ALA 384 Ca 0.00 0.20 0.00 0.00 0.00 0.00 0.00 53.44 53.64 1xck n ALA 384 Cb 0.00 -0.52 0.00 0.00 0.00 0.00 0.00 19.45 18.93 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 0.01 0.00 -0.33 0.00 -2.24 -1.26 -4.78 114.28 105.68 1xck n THR 385 Ca 0.01 0.00 0.17 0.00 -2.27 0.00 0.00 64.05 61.96 1xck n THR 385 Cb 0.04 0.00 0.37 0.00 -2.10 0.00 0.00 70.33 68.63 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 0.47 0.79 -0.78 4.81 -1.99 -2.04 114.58 115.83 1xck h GLU 386 Ca 0.00 -0.03 -0.03 0.00 -0.13 0.00 0.00 59.36 59.17 1xck h GLU 386 Cb 0.00 -0.11 -0.00 0.00 0.63 0.00 0.00 28.75 29.27 1xck h GLU 386 CO 0.00 0.31 -0.49 0.28 -0.73 0.00 0.00 179.01 178.38 1xck h VAL 387 N 0.48 0.02 -0.90 0.32 2.07 -1.99 0.89 116.25 117.15 1xck h VAL 387 Ca 0.62 0.00 0.14 0.00 0.82 0.00 0.00 66.70 68.28 1xck h VAL 387 Cb 1.21 0.02 -0.07 0.00 -1.52 0.00 0.00 31.29 30.93 1xck h VAL 387 CO -0.51 0.00 0.58 -0.33 0.02 0.00 0.00 177.57 177.33 1xck h GLU 388 N -1.20 0.71 0.28 1.57 5.08 -1.76 -0.28 114.58 118.98 1xck h GLU 388 Ca -0.10 -0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 58.20 1xck h GLU 388 Cb 0.96 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 30.05 1xck h GLU 388 CO 0.10 0.47 -0.13 1.98 -1.00 0.00 0.00 179.01 180.43 1xck h MET 389 N 0.73 -0.36 -0.76 2.33 4.05 -0.90 0.28 114.93 120.30 1xck h MET 389 Ca 0.45 0.02 0.00 0.00 -0.28 0.00 0.00 59.70 59.90 1xck h MET 389 Cb 0.67 0.08 -0.04 0.00 -0.80 0.00 0.00 31.60 31.52 1xck h MET 389 CO -0.21 -0.16 0.48 0.87 0.23 0.00 0.00 176.91 178.12 1xck h LYS 390 N -0.49 1.01 0.38 0.39 1.79 -0.15 0.13 116.57 119.63 1xck h LYS 390 Ca -0.04 -0.07 -0.02 0.00 -2.18 0.00 0.00 60.65 58.34 1xck h LYS 390 Cb 0.37 -0.22 0.00 0.00 -1.58 0.00 0.00 32.23 30.80 1xck h LYS 390 CO 0.06 0.69 -0.18 1.49 -1.08 0.00 0.00 179.45 180.43 1xck h GLU 391 N 1.04 -0.49 -0.73 3.15 4.22 -0.88 -2.68 114.58 118.21 1xck h GLU 391 Ca 0.28 0.03 -0.02 0.00 0.08 0.00 0.00 59.36 59.73 1xck h GLU 391 Cb -0.09 0.11 -0.03 0.00 0.50 0.00 0.00 28.75 29.24 1xck h GLU 391 CO -0.06 -0.20 0.36 -0.22 -2.18 0.00 0.00 179.01 176.71 1xck h LYS 392 N -0.75 1.02 -0.73 1.92 3.64 -0.78 -2.08 116.57 118.81 1xck h LYS 392 Ca -0.05 -0.13 0.10 0.00 -1.27 0.00 0.00 60.65 59.30 1xck h LYS 392 Cb 0.51 -0.19 -0.07 0.00 -0.41 0.00 0.00 32.23 32.07 1xck h LYS 392 CO 0.09 0.78 0.36 -0.22 -2.27 0.00 0.00 179.45 178.19 1xck h LYS 393 N 1.02 0.59 0.02 1.90 3.64 -0.92 0.13 116.57 122.95 1xck h LYS 393 Ca 0.25 -0.04 -0.00 0.00 -1.27 0.00 0.00 60.65 59.60 1xck h LYS 393 Cb 0.08 -0.13 0.00 0.00 -0.41 0.00 0.00 32.23 31.76 1xck h LYS 393 CO -0.04 0.39 -0.01 0.00 -2.27 0.00 0.00 179.45 177.53 1xck h ALA 394 N 1.44 -0.02 -0.35 5.00 0.00 -1.04 -0.19 119.26 124.09 1xck h ALA 394 Ca 0.36 -0.04 0.02 0.00 0.00 0.00 0.00 54.91 55.25 1xck h ALA 394 Cb 0.39 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.17 1xck h ALA 394 CO -0.28 -0.48 0.24 0.00 0.00 0.00 0.00 179.25 178.73 1xck h ARG 395 N -0.10 0.39 -0.02 0.00 3.08 -0.78 -1.09 114.38 115.87 1xck h ARG 395 Ca -0.00 -0.02 -0.00 0.00 0.07 0.00 0.00 59.98 60.02 1xck h ARG 395 Cb 0.09 -0.09 -0.00 0.00 0.08 0.00 0.00 29.97 30.05 1xck h ARG 395 CO 0.00 0.26 -0.01 0.28 -1.07 0.00 0.00 179.97 179.43 1xck h VAL 396 N 0.40 1.34 -0.75 2.04 2.07 -0.25 -0.99 116.25 120.12 1xck h VAL 396 Ca 0.14 -1.03 0.10 0.00 0.82 0.00 0.00 66.70 66.72 1xck h VAL 396 Cb 0.06 2.01 -0.07 0.00 -1.52 0.00 0.00 31.29 31.77 1xck h VAL 396 CO -0.03 0.27 0.39 -0.33 0.02 0.00 0.00 177.57 177.89 1xck h GLU 397 N -0.39 0.64 0.34 1.57 5.08 -0.46 0.13 114.58 121.49 1xck h GLU 397 Ca 0.00 -0.04 -0.02 0.00 -1.00 0.00 0.00 59.36 58.31 1xck h GLU 397 Cb 0.45 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.56 1xck h GLU 397 CO 0.00 0.42 -0.16 -0.44 -1.00 0.00 0.00 179.01 177.83 1xck h ASP 398 N 0.66 -0.39 -0.44 1.42 3.32 -1.15 -2.46 116.42 117.39 1xck h ASP 398 Ca 0.37 -0.14 0.06 0.00 0.02 0.00 0.00 57.03 57.34 1xck h ASP 398 Cb 0.38 0.10 -0.02 0.00 0.22 0.00 0.00 39.33 40.01 1xck h ASP 398 CO -0.27 -0.07 0.30 0.00 -1.72 0.00 0.00 179.24 177.48 1xck h ALA 399 N -0.21 1.97 -0.05 3.45 0.00 -0.94 -0.87 119.26 122.61 1xck h ALA 399 Ca -0.05 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.85 1xck h ALA 399 Cb 0.50 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.21 1xck h ALA 399 CO 0.08 -0.05 0.02 1.25 0.00 0.00 0.00 179.25 180.55 1xck h LEU 400 N 0.34 0.07 -1.05 0.00 5.85 -0.60 0.47 115.31 120.39 1xck h LEU 400 Ca 0.19 -0.14 -0.04 0.00 0.84 0.00 0.00 57.88 58.73 1xck h LEU 400 Cb 0.33 -0.02 -0.03 0.00 0.37 0.00 0.00 40.66 41.31 1xck h LEU 400 CO -0.04 0.19 0.20 -0.74 -0.34 0.00 0.00 178.44 177.71 1xck h HIS 401 N -0.06 0.89 0.36 1.25 2.76 -0.88 -0.31 115.15 119.17 1xck h HIS 401 Ca 0.02 -0.06 -0.02 0.00 -2.20 0.00 0.00 60.37 58.11 1xck h HIS 401 Cb 0.14 -0.27 0.00 0.00 1.55 0.00 0.00 27.41 28.84 1xck h HIS 401 CO -0.03 0.71 -0.18 0.00 -1.30 0.00 0.00 177.93 177.14 1xck h ALA 402 N 1.36 -0.49 -1.01 5.26 0.00 -0.95 -2.88 119.26 120.55 1xck h ALA 402 Ca 0.20 -0.18 0.08 0.00 0.00 0.00 0.00 54.91 55.01 1xck h ALA 402 Cb 0.22 0.19 -0.07 0.00 0.00 0.00 0.00 17.79 18.13 1xck h ALA 402 CO -0.01 -0.63 0.65 1.15 0.00 0.00 0.00 179.25 180.41 1xck h THR 403 N -0.78 1.04 -0.22 0.00 2.02 -0.76 0.45 112.91 114.66 1xck h THR 403 Ca -0.05 -0.39 0.06 0.00 0.77 0.00 0.00 66.41 66.80 1xck h THR 403 Cb 0.52 -0.19 -0.06 0.00 -1.74 0.00 0.00 68.15 66.68 1xck h THR 403 CO 0.08 0.21 -0.17 -0.09 0.37 0.00 0.00 175.52 175.91 1xck h ARG 404 N 1.13 -0.17 -0.78 6.66 1.12 -1.03 0.25 114.38 121.56 1xck h ARG 404 Ca 0.45 0.01 -0.05 0.00 -1.11 0.00 0.00 59.98 59.28 1xck h ARG 404 Cb 0.26 0.04 -0.03 0.00 -0.01 0.00 0.00 29.97 30.23 1xck h ARG 404 CO -0.20 -0.11 0.28 0.00 -3.11 0.00 0.00 179.97 176.83 1xck h ALA 405 N 0.94 1.02 -0.63 2.80 0.00 -1.05 -2.41 119.26 119.94 1xck h ALA 405 Ca 0.13 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 54.81 1xck h ALA 405 Cb 0.37 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 17.83 1xck h ALA 405 CO -0.33 0.67 0.34 0.00 0.00 0.00 0.00 179.25 179.93 1xck h ALA 406 N 1.15 0.81 -0.15 0.00 0.00 -0.28 -1.49 119.26 119.29 1xck h ALA 406 Ca 0.26 -0.11 -0.05 0.00 0.00 0.00 0.00 54.91 55.01 1xck h ALA 406 Cb 0.26 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 1xck h ALA 406 CO -0.02 0.33 -0.12 0.28 0.00 0.00 0.00 179.25 179.73 1xck h VAL 407 N 0.86 1.17 0.09 0.00 2.07 -0.71 0.31 116.25 120.04 1xck h VAL 407 Ca 0.22 -0.76 -0.00 0.00 0.82 0.00 0.00 66.70 66.98 1xck h VAL 407 Cb 0.06 1.19 0.00 0.00 -1.52 0.00 0.00 31.29 31.02 1xck h VAL 407 CO -0.03 0.24 -0.04 -0.33 0.02 0.00 0.00 177.57 177.42 1xck h GLU 408 N 0.23 -0.12 0.00 1.57 5.08 -0.85 -3.41 114.58 117.08 1xck h GLU 408 Ca 0.05 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.42 1xck h GLU 408 Cb 0.36 0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.63 1xck h GLU 408 CO 0.02 0.41 -0.04 0.39 -1.00 0.00 0.00 179.01 178.80 1xck n GLU 409 N -4.85 1.88 0.00 2.33 1.02 -0.64 -5.09 120.64 115.29 1xck n GLU 409 Ca -0.08 -1.50 0.00 0.00 -0.02 0.00 0.00 57.16 55.56 1xck n GLU 409 Cb 0.29 -0.97 0.00 0.00 -0.02 0.00 0.00 31.44 30.74 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 -0.56 -2.04 3.26 0.62 0.00 0.11 -4.48 105.19 102.11 1xck n GLY 410 Ca 0.03 -1.45 -0.18 0.00 0.00 0.00 0.00 46.02 44.41 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 1.43 0.18 1.61 -7.23 -0.15 -0.78 120.40 115.46 1xck s VAL 411 Ca 0.00 -1.81 0.01 0.00 -1.81 0.00 0.00 61.98 58.37 1xck s VAL 411 Cb 0.00 -1.64 -0.04 0.00 0.56 0.00 0.00 36.38 35.25 1xck s VAL 411 CO 0.00 -0.43 0.05 0.68 -0.31 0.00 0.00 175.10 175.09 1xck s VAL 412 N -2.25 0.42 0.24 1.32 -7.23 -0.58 -0.90 120.40 111.42 1xck s VAL 412 Ca 0.11 -1.97 -0.31 0.00 -1.81 0.00 0.00 61.98 58.01 1xck s VAL 412 Cb -0.04 -2.24 -0.13 0.00 0.56 0.00 0.00 36.38 34.52 1xck s VAL 412 CO 0.04 -0.33 1.48 0.00 -0.31 0.00 0.00 175.10 175.98 1xck n ALA 413 N -0.25 1.54 -1.57 1.32 0.00 -1.26 -1.30 120.51 119.00 1xck n ALA 413 Ca -0.04 0.40 0.00 0.00 0.00 0.00 0.00 53.44 53.81 1xck n ALA 413 Cb 0.64 -2.34 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 2.33 1.02 2.40 0.00 0.00 0.62 -2.93 105.19 108.63 1xck n GLY 414 Ca 0.11 -1.81 -0.18 0.00 0.00 0.00 0.00 46.02 44.14 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 0.16 2.83 -0.02 0.00 -1.26 -1.81 105.19 110.08 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 -0.76 0.49 0.07 -0.02 0.00 -1.26 -4.46 105.19 99.24 1xck n GLY 416 Ca -0.20 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.73 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 1.68 -0.56 1.61 -1.51 -1.56 -3.13 116.25 112.79 1xck h VAL 417 Ca 0.00 -3.37 0.03 0.00 -1.23 0.00 0.00 66.70 62.13 1xck h VAL 417 Cb 0.18 2.86 -0.04 0.00 -2.13 0.00 0.00 31.29 32.16 1xck h VAL 417 CO 0.00 0.96 0.32 0.00 -1.23 0.00 0.00 177.57 177.63 1xck h ALA 418 N 0.94 0.72 -0.69 5.19 0.00 -1.72 0.30 119.26 124.00 1xck h ALA 418 Ca -0.03 -0.00 -0.05 0.00 0.00 0.00 0.00 54.91 54.83 1xck h ALA 418 Cb 1.80 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 19.42 1xck h ALA 418 CO 0.14 0.02 0.23 -0.07 0.00 0.00 0.00 179.25 179.57 1xck h LEU 419 N 0.63 0.96 -0.38 0.00 3.38 -1.85 -0.13 115.31 117.91 1xck h LEU 419 Ca 0.23 -0.16 -0.19 0.00 0.09 0.00 0.00 57.88 57.86 1xck h LEU 419 Cb 0.07 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.56 1xck h LEU 419 CO -0.12 0.88 -0.78 -0.29 0.09 0.00 0.00 178.44 178.23 1xck h ILE 420 N 1.01 1.42 0.47 1.22 2.10 -1.35 -1.95 117.51 120.42 1xck h ILE 420 Ca 0.23 -2.30 -0.02 0.00 1.08 0.00 0.00 64.86 63.85 1xck h ILE 420 Cb 0.25 2.24 0.00 0.00 -1.09 0.00 0.00 36.82 38.23 1xck h ILE 420 CO -0.01 0.68 -0.23 -0.09 -1.08 0.00 0.00 178.15 177.42 1xck h ARG 421 N 0.20 -0.61 -0.84 2.19 9.65 -0.03 -1.35 114.38 123.59 1xck h ARG 421 Ca -0.04 0.04 0.08 0.00 -1.10 0.00 0.00 59.98 58.96 1xck h ARG 421 Cb 1.36 0.14 -0.06 0.00 -1.39 0.00 0.00 29.97 30.02 1xck h ARG 421 CO 0.13 -0.34 0.55 0.28 2.80 0.00 0.00 179.97 183.39 1xck h VAL 422 N -0.78 1.01 -0.46 0.20 2.07 -1.07 -1.95 116.25 115.27 1xck h VAL 422 Ca -0.06 -0.30 -0.14 0.00 0.82 0.00 0.00 66.70 67.02 1xck h VAL 422 Cb 0.55 0.06 -0.01 0.00 -1.52 0.00 0.00 31.29 30.36 1xck h VAL 422 CO 0.11 0.16 -0.25 0.00 0.02 0.00 0.00 177.57 177.61 1xck h ALA 423 N 1.56 0.68 0.00 1.67 0.00 -1.13 -2.69 119.26 119.34 1xck h ALA 423 Ca 0.37 -0.40 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 1xck h ALA 423 Cb 0.30 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 17.93 1xck h ALA 423 CO -0.14 0.68 -0.04 0.66 0.00 0.00 0.00 179.25 180.40 1xck h SER 424 N 0.84 0.00 1.19 0.00 4.64 -0.46 -1.70 113.55 118.05 1xck h SER 424 Ca 0.10 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.42 1xck h SER 424 Cb 0.83 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.92 1xck h SER 424 CO 0.07 0.04 -0.12 0.29 -0.87 0.00 0.00 176.83 176.24 1xck n LYS 425 N -3.69 0.17 -0.85 4.77 5.02 -1.02 -3.88 118.16 118.68 1xck n LYS 425 Ca -0.03 0.12 0.01 0.00 -2.02 0.00 0.00 58.31 56.40 1xck n LYS 425 Cb 0.13 -1.68 0.32 0.00 -0.02 0.00 0.00 35.03 33.78 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 -1.97 5.40 -0.32 -0.35 4.77 -0.64 -4.71 117.00 119.18 1xck n LEU 426 Ca 0.06 -3.14 0.06 0.00 -0.03 0.00 0.00 56.01 52.96 1xck n LEU 426 Cb 0.40 -0.68 0.22 0.00 -2.33 0.00 0.00 43.42 41.03 1xck n LEU 426 CO 0.30 0.76 1.17 0.00 -1.33 0.00 0.00 177.39 178.29 1xck h ALA 427 N 2.76 1.37 -0.01 -1.18 0.00 -1.69 -1.74 119.26 118.77 1xck h ALA 427 Ca 0.13 0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.08 1xck h ALA 427 Cb 2.00 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 19.66 1xck h ALA 427 CO 0.54 0.09 -0.05 -0.25 0.00 0.00 0.00 179.25 179.57 1xck n ASP 428 N -4.73 0.61 -4.71 0.00 8.00 -1.26 -4.89 116.55 109.56 1xck n ASP 428 Ca 0.17 -0.92 -0.42 0.00 0.71 0.00 0.00 54.79 54.33 1xck n ASP 428 Cb 0.36 -0.03 -0.03 0.00 -0.02 0.00 0.00 41.12 41.40 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 -2.23 4.38 0.24 0.64 2.96 -0.66 -4.99 118.68 119.03 1xck s LEU 429 Ca 0.36 2.85 0.03 0.00 -0.22 0.00 0.00 54.13 57.15 1xck s LEU 429 Cb 0.21 -3.59 -0.05 0.00 0.50 0.00 0.00 46.19 43.25 1xck s LEU 429 CO 0.41 -0.98 0.03 -0.13 -1.32 0.00 0.00 176.35 174.36 1xck s ARG 430 N 1.52 1.37 0.00 1.98 1.81 -1.26 -4.97 118.95 119.40 1xck s ARG 430 Ca 0.76 -1.71 0.00 0.00 -1.72 0.00 0.00 55.73 53.06 1xck s ARG 430 Cb -0.49 -0.52 0.00 0.00 -0.45 0.00 0.00 34.95 33.49 1xck s ARG 430 CO 0.33 -0.16 0.00 0.41 -0.68 0.00 0.00 175.30 175.20 1xck n GLY 431 N -0.45 5.15 0.15 -3.53 0.00 -1.26 -5.01 105.19 100.25 1xck n GLY 431 Ca -0.04 -1.87 0.12 0.00 0.00 0.00 0.00 46.02 44.23 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 0.48 -3.75 1.61 6.02 -1.26 -4.92 117.38 115.56 1xck n GLN 432 Ca 0.00 -0.31 -0.06 0.00 -0.01 0.00 0.00 57.00 56.62 1xck n GLN 432 Cb 0.00 -1.49 -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 -2.73 -0.26 0.45 1.08 2.20 -1.26 -5.02 114.94 109.39 1xck s ASN 433 Ca 0.17 -0.42 0.13 0.00 -0.94 0.00 0.00 52.86 51.80 1xck s ASN 433 Cb 0.18 0.58 1.04 0.00 -2.00 0.00 0.00 41.25 41.05 1xck s ASN 433 CO 0.63 -1.06 2.04 -0.08 -2.94 0.00 0.00 177.10 175.69 1xck h GLU 434 N 2.00 0.35 -0.60 3.55 4.57 -1.99 -0.82 114.58 121.63 1xck h GLU 434 Ca -0.23 -0.02 -0.05 0.00 -1.18 0.00 0.00 59.36 57.88 1xck h GLU 434 Cb 1.25 -0.08 -0.03 0.00 -0.16 0.00 0.00 28.75 29.73 1xck h GLU 434 CO 0.26 0.23 0.19 -0.44 -1.18 0.00 0.00 179.01 178.06 1xck h ASP 435 N 0.36 0.88 0.36 1.04 3.32 -1.96 -1.19 116.42 119.24 1xck h ASP 435 Ca 0.18 -0.21 -0.11 0.00 0.02 0.00 0.00 57.03 56.91 1xck h ASP 435 Cb 0.25 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 39.56 1xck h ASP 435 CO -0.04 0.86 -0.47 1.56 -1.72 0.00 0.00 179.24 179.43 1xck h GLN 436 N 0.86 0.13 -0.37 3.56 4.20 -1.41 -1.73 115.11 120.35 1xck h GLN 436 Ca 0.19 -0.07 -0.08 0.00 0.06 0.00 0.00 58.65 58.76 1xck h GLN 436 Cb 0.29 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.06 1xck h GLN 436 CO -0.01 0.57 -0.12 -0.91 -0.67 0.00 0.00 178.83 177.70 1xck h ASN 437 N 0.10 0.64 -0.24 1.46 2.35 -0.68 -0.69 115.58 118.53 1xck h ASN 437 Ca 0.00 -0.18 -0.09 0.00 -0.55 0.00 0.00 56.30 55.49 1xck h ASN 437 Cb 0.87 -0.17 -0.00 0.00 0.05 0.00 0.00 38.32 39.06 1xck h ASN 437 CO 0.07 0.78 -0.19 0.58 -1.65 0.00 0.00 177.43 177.02 1xck h VAL 438 N 0.59 1.31 -0.82 2.81 2.07 -0.90 -1.84 116.25 119.47 1xck h VAL 438 Ca 0.10 -1.33 0.11 0.00 0.82 0.00 0.00 66.70 66.40 1xck h VAL 438 Cb 0.55 1.65 -0.08 0.00 -1.52 0.00 0.00 31.29 31.89 1xck h VAL 438 CO 0.03 0.41 0.45 1.23 0.02 0.00 0.00 177.57 179.72 1xck h GLY 439 N 0.26 1.28 0.95 2.17 0.00 -0.99 0.38 103.07 107.12 1xck h GLY 439 Ca 0.04 -0.29 -0.02 0.00 0.00 0.00 0.00 47.33 47.07 1xck h GLY 439 CO 0.05 0.08 0.19 -2.22 0.00 0.00 0.00 176.54 174.64 1xck h ILE 440 N 0.72 1.18 -0.27 2.60 2.04 -0.89 -2.17 117.51 120.72 1xck h ILE 440 Ca 0.41 -0.51 -0.08 0.00 1.00 0.00 0.00 64.86 65.67 1xck h ILE 440 Cb 0.44 0.77 -0.01 0.00 -0.74 0.00 0.00 36.82 37.27 1xck h ILE 440 CO -0.28 0.19 -0.18 0.11 0.00 0.00 0.00 178.15 177.99 1xck h LYS 441 N 0.52 0.49 -0.68 2.37 1.79 -0.32 -0.50 116.57 120.23 1xck h LYS 441 Ca 0.14 -0.16 0.01 0.00 -2.18 0.00 0.00 60.65 58.46 1xck h LYS 441 Cb 0.13 -0.04 -0.04 0.00 -1.58 0.00 0.00 32.23 30.70 1xck h LYS 441 CO -0.02 0.65 0.45 0.28 -1.08 0.00 0.00 179.45 179.73 1xck h VAL 442 N 0.44 1.15 -0.22 0.50 2.07 0.05 0.12 116.25 120.36 1xck h VAL 442 Ca 0.07 -0.31 -0.08 0.00 0.82 0.00 0.00 66.70 67.21 1xck h VAL 442 Cb 0.57 0.17 -0.00 0.00 -1.52 0.00 0.00 31.29 30.51 1xck h VAL 442 CO 0.04 0.16 -0.16 0.00 0.02 0.00 0.00 177.57 177.63 1xck h ALA 443 N 1.26 0.31 -0.92 1.67 0.00 -0.92 -1.60 119.26 119.05 1xck h ALA 443 Ca 0.26 -0.33 -0.00 0.00 0.00 0.00 0.00 54.91 54.83 1xck h ALA 443 Cb -0.08 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 17.60 1xck h ALA 443 CO -0.07 0.21 0.56 -0.07 0.00 0.00 0.00 179.25 179.88 1xck h LEU 444 N 0.18 1.11 -0.29 0.00 3.38 -0.81 -1.78 115.31 117.11 1xck h LEU 444 Ca 0.04 -0.07 -0.04 0.00 0.09 0.00 0.00 57.88 57.90 1xck h LEU 444 Cb 0.69 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 41.15 1xck h LEU 444 CO 0.04 0.85 0.01 0.03 0.09 0.00 0.00 178.44 179.46 1xck h ARG 445 N 1.27 0.50 -0.45 1.13 3.08 -0.93 -2.91 114.38 116.07 1xck h ARG 445 Ca 0.33 -0.15 0.08 0.00 0.07 0.00 0.00 59.98 60.31 1xck h ARG 445 Cb -0.06 -0.05 -0.02 0.00 0.08 0.00 0.00 29.97 29.92 1xck h ARG 445 CO -0.06 0.64 0.30 0.00 -1.07 0.00 0.00 179.97 179.78 1xck h ALA 446 N 0.84 2.07 0.00 0.04 0.00 -0.79 -1.18 119.26 120.23 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 0.41 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.15 1xck h ALA 446 CO 0.01 -0.16 0.00 -1.33 0.00 0.00 0.00 179.25 177.77 1xck n MET 447 N -4.47 0.02 0.01 0.00 2.81 -0.71 -0.84 117.12 113.95 1xck n MET 447 Ca 0.06 0.36 0.11 0.00 -1.81 0.00 0.00 57.70 56.42 1xck n MET 447 Cb 0.32 -1.50 0.04 0.00 -0.71 0.00 0.00 33.22 31.37 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 -1.44 0.10 -0.01 0.03 1.02 -0.45 -3.74 120.64 116.17 1xck n GLU 448 Ca 0.02 -0.01 -0.10 0.00 -0.02 0.00 0.00 57.16 57.05 1xck n GLU 448 Cb 0.06 -1.53 -0.03 0.00 -0.02 0.00 0.00 31.44 29.91 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 2.84 -0.30 0.16 0.62 0.00 -1.11 -1.71 119.26 119.76 1xck h ALA 449 Ca 0.00 0.03 0.01 0.00 0.00 0.00 0.00 54.91 54.96 1xck h ALA 449 Cb 0.58 0.56 -0.04 0.00 0.00 0.00 0.00 17.79 18.89 1xck h ALA 449 CO 0.00 -0.76 -0.47 -1.35 0.00 0.00 0.00 179.25 176.68 1xck h PRO 450 N -0.35 -0.70 -0.03 0.00 0.11 -1.79 0.64 132.00 129.87 1xck h PRO 450 Ca 0.10 0.05 0.03 0.00 0.11 0.00 0.00 66.00 66.29 1xck h PRO 450 Cb 0.51 0.16 -0.04 0.00 0.11 0.00 0.00 31.00 31.75 1xck h PRO 450 CO -0.35 -0.47 -0.16 1.25 -0.21 0.00 0.00 178.00 178.06 1xck h LEU 451 N -0.73 -0.48 -0.74 2.35 6.46 -1.72 -0.66 115.31 119.79 1xck h LEU 451 Ca 0.00 0.07 0.12 0.00 -0.12 0.00 0.00 57.88 57.96 1xck h LEU 451 Cb 0.73 0.21 -0.09 0.00 -0.73 0.00 0.00 40.66 40.78 1xck h LEU 451 CO -0.24 -0.22 0.33 0.03 -0.62 0.00 0.00 178.44 177.72 1xck h ARG 452 N -0.25 0.49 -0.31 1.25 3.08 -1.12 0.66 114.38 118.19 1xck h ARG 452 Ca 0.06 -0.03 -0.01 0.00 0.07 0.00 0.00 59.98 60.07 1xck h ARG 452 Cb 0.34 -0.11 -0.01 0.00 0.08 0.00 0.00 29.97 30.26 1xck h ARG 452 CO -0.18 0.33 0.15 0.37 -1.07 0.00 0.00 179.97 179.57 1xck h GLN 453 N 0.51 0.44 0.11 0.04 5.75 -0.16 0.17 115.11 121.96 1xck h GLN 453 Ca 0.39 -0.06 0.02 0.00 -0.15 0.00 0.00 58.65 58.85 1xck h GLN 453 Cb 0.53 -0.08 -0.03 0.00 1.07 0.00 0.00 27.48 28.97 1xck h GLN 453 CO -0.35 0.40 -0.21 0.82 -2.65 0.00 0.00 178.83 176.84 1xck h ILE 454 N 0.36 0.52 -0.98 2.39 2.04 -0.20 0.18 117.51 121.82 1xck h ILE 454 Ca 0.11 0.00 0.07 0.00 1.00 0.00 0.00 64.86 66.04 1xck h ILE 454 Cb 0.10 0.52 -0.07 0.00 -0.74 0.00 0.00 36.82 36.63 1xck h ILE 454 CO -0.01 0.00 0.63 0.58 0.00 0.00 0.00 178.15 179.34 1xck h VAL 455 N -0.40 1.05 -0.23 1.67 2.07 -0.66 -1.68 116.25 118.06 1xck h VAL 455 Ca 0.03 -0.38 -0.00 0.00 0.82 0.00 0.00 66.70 67.16 1xck h VAL 455 Cb 0.42 -0.16 -0.01 0.00 -1.52 0.00 0.00 31.29 30.02 1xck h VAL 455 CO -0.12 0.20 0.14 0.25 0.02 0.00 0.00 177.57 178.05 1xck h LEU 456 N 1.11 0.29 -2.46 2.57 5.85 0.34 -1.39 115.31 121.62 1xck h LEU 456 Ca 0.44 -0.07 0.00 0.00 0.84 0.00 0.00 57.88 59.09 1xck h LEU 456 Cb 0.22 -0.07 -0.00 0.00 0.37 0.00 0.00 40.66 41.18 1xck h LEU 456 CO -0.19 0.27 0.01 0.78 -0.34 0.00 0.00 178.44 178.97 1xck h ASN 457 N 0.28 0.00 0.64 1.25 2.35 0.19 0.59 115.58 120.89 1xck h ASN 457 Ca 0.08 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.83 1xck h ASN 457 Cb 0.04 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.41 1xck h ASN 457 CO -0.01 0.00 -0.11 0.00 -1.65 0.00 0.00 177.43 175.65 1xck n GLY 459 N 1.39 0.37 3.80 0.00 0.00 0.20 -5.06 105.19 105.89 1xck n GLY 459 Ca 0.10 -0.95 -0.23 0.00 0.00 0.00 0.00 46.02 44.95 1xck n GLY 459 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1xck s GLU 460 N -3.28 2.36 -0.50 1.61 0.41 -0.88 -5.04 118.70 113.38 1xck s GLU 460 Ca 0.00 -1.69 -0.26 0.00 -0.41 0.00 0.00 54.97 52.60 1xck s GLU 460 Cb 0.00 -2.16 0.03 0.00 -1.78 0.00 0.00 34.13 30.22 1xck s GLU 460 CO 0.00 -0.13 1.02 -1.21 -0.49 0.00 0.00 175.26 174.45 1xck s GLU 461 N -3.99 3.53 0.17 1.61 2.02 -1.26 -4.34 118.70 116.43 1xck s GLU 461 Ca 0.44 0.17 -0.18 0.00 0.02 0.00 0.00 54.97 55.42 1xck s GLU 461 Cb 0.01 -3.96 0.11 0.00 0.10 0.00 0.00 34.13 30.38 1xck s GLU 461 CO 0.25 -1.39 1.64 -1.35 0.02 0.00 0.00 175.26 174.43 1xck h PRO 462 N 9.25 -0.08 -0.46 0.39 0.11 -1.87 -1.70 132.00 137.64 1xck h PRO 462 Ca -0.24 0.01 0.06 0.00 0.11 0.00 0.00 66.00 65.93 1xck h PRO 462 Cb 1.07 0.02 -0.03 0.00 0.11 0.00 0.00 31.00 32.17 1xck h PRO 462 CO 1.09 -0.05 0.31 0.66 -0.21 0.00 0.00 178.00 179.80 1xck h SER 463 N -0.08 0.32 0.12 -2.05 4.64 -1.94 0.32 113.55 114.87 1xck h SER 463 Ca 0.20 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.52 1xck h SER 463 Cb 0.39 -0.07 0.00 0.00 -0.31 0.00 0.00 62.40 62.41 1xck h SER 463 CO -0.47 0.21 -0.06 0.58 -0.87 0.00 0.00 176.83 176.22 1xck h VAL 464 N 0.36 1.01 -0.14 0.95 2.07 -1.74 -1.41 116.25 117.36 1xck h VAL 464 Ca 0.20 -1.25 0.01 0.00 0.82 0.00 0.00 66.70 66.49 1xck h VAL 464 Cb 0.34 1.71 -0.02 0.00 -1.52 0.00 0.00 31.29 31.81 1xck h VAL 464 CO -0.05 0.27 0.04 0.58 0.02 0.00 0.00 177.57 178.43 1xck h VAL 465 N -0.82 0.96 -0.44 2.57 2.07 -1.15 -1.26 116.25 118.18 1xck h VAL 465 Ca -0.02 -0.04 0.09 0.00 0.82 0.00 0.00 66.70 67.55 1xck h VAL 465 Cb 0.56 0.84 -0.08 0.00 -1.52 0.00 0.00 31.29 31.08 1xck h VAL 465 CO 0.03 0.02 -0.11 0.00 0.02 0.00 0.00 177.57 177.52 1xck h ALA 466 N 1.09 0.28 -0.70 1.67 0.00 -0.45 -0.63 119.26 120.52 1xck h ALA 466 Ca 0.06 0.17 0.04 0.00 0.00 0.00 0.00 54.91 55.18 1xck h ALA 466 Cb 0.04 0.34 -0.05 0.00 0.00 0.00 0.00 17.79 18.13 1xck h ALA 466 CO -0.07 -0.45 0.43 -0.97 0.00 0.00 0.00 179.25 178.19 1xck h ASN 467 N -0.01 0.70 -0.04 0.00 -1.24 -0.85 -1.44 115.58 112.69 1xck h ASN 467 Ca 0.21 0.01 -0.01 0.00 0.71 0.00 0.00 56.30 57.22 1xck h ASN 467 Cb 0.33 -0.14 -0.00 0.00 0.73 0.00 0.00 38.32 39.23 1xck h ASN 467 CO -0.46 0.48 0.00 0.74 -1.29 0.00 0.00 177.43 176.90 1xck h THR 468 N 0.83 1.24 -0.88 -3.57 2.02 -0.42 -2.59 112.91 109.55 1xck h THR 468 Ca 0.29 -0.71 0.08 0.00 0.77 0.00 0.00 66.41 66.84 1xck h THR 468 Cb 0.05 1.63 -0.07 0.00 -1.74 0.00 0.00 68.15 68.03 1xck h THR 468 CO -0.12 0.19 0.53 0.58 0.37 0.00 0.00 175.52 177.08 1xck h VAL 469 N -0.20 0.97 -0.98 3.16 2.07 -0.97 -0.66 116.25 119.64 1xck h VAL 469 Ca 0.01 -0.32 0.01 0.00 0.82 0.00 0.00 66.70 67.23 1xck h VAL 469 Cb 0.31 -0.03 -0.05 0.00 -1.52 0.00 0.00 31.29 30.00 1xck h VAL 469 CO 0.00 0.17 0.65 0.11 0.02 0.00 0.00 177.57 178.52 1xck h LYS 470 N 0.92 1.29 -0.00 1.57 1.57 -1.16 -1.90 116.57 118.86 1xck h LYS 470 Ca 0.41 -0.08 0.00 0.00 -1.87 0.00 0.00 60.65 59.11 1xck h LYS 470 Cb 0.30 -0.29 -0.00 0.00 0.08 0.00 0.00 32.23 32.32 1xck h LYS 470 CO -0.22 0.86 0.01 0.78 -0.57 0.00 0.00 179.45 180.31 1xck h GLY 471 N 1.33 0.00 0.00 3.86 0.00 -0.71 -3.44 103.07 104.12 1xck h GLY 471 Ca 0.36 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.69 1xck h GLY 471 CO -0.08 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.07 1xck n GLY 472 N -1.15 0.08 3.21 4.60 0.00 -0.72 -5.12 105.19 106.09 1xck n GLY 472 Ca -0.03 -1.78 -0.12 0.00 0.00 0.00 0.00 46.02 44.09 1xck n GLY 472 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1xck s ASP 473 N -1.00 0.30 0.42 1.61 1.01 -1.26 -5.02 116.67 112.72 1xck s ASP 473 Ca 0.00 -1.37 0.00 0.00 0.71 0.00 0.00 52.55 51.89 1xck s ASP 473 Cb 0.00 0.34 0.00 0.00 1.01 0.00 0.00 42.92 44.27 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 -0.28 2.77 2.01 0.21 0.00 -1.26 -0.68 105.19 107.95 1xck n GLY 474 Ca 0.01 0.02 -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 1.95 4.32 -4.73 1.61 4.13 -1.26 -4.92 115.26 116.37 1xck n ASN 475 Ca 0.00 -3.32 -0.41 0.00 1.68 0.00 0.00 54.58 52.53 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 -2.70 3.68 0.07 3.10 5.04 0.14 -0.18 117.35 126.51 1xck s TYR 476 Ca 0.46 1.67 -0.07 0.00 -2.44 0.00 0.00 57.07 56.69 1xck s TYR 476 Cb 0.38 -3.17 0.03 0.00 0.35 0.00 0.00 41.96 39.55 1xck s TYR 476 CO 0.07 -0.24 0.35 0.41 -1.34 0.00 0.00 175.55 174.80 1xck n GLY 477 N 2.42 1.14 3.72 8.97 0.00 0.28 -4.71 105.19 116.99 1xck n GLY 477 Ca 0.04 -1.01 -0.36 0.00 0.00 0.00 0.00 46.02 44.69 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 -4.91 3.41 -0.82 1.61 5.04 -1.26 -1.42 117.35 118.99 1xck s TYR 478 Ca 0.08 0.38 -0.17 0.00 -2.44 0.00 0.00 57.07 54.91 1xck s TYR 478 Cb -0.01 -2.22 0.15 0.00 0.35 0.00 0.00 41.96 40.23 1xck s TYR 478 CO 0.02 0.24 0.92 1.21 -1.34 0.00 0.00 175.55 176.61 1xck s ASN 479 N 0.49 6.56 0.45 4.32 3.84 -0.28 -4.90 114.94 125.41 1xck s ASN 479 Ca 0.10 -2.07 0.24 0.00 0.21 0.00 0.00 52.86 51.33 1xck s ASN 479 Cb -0.12 -2.32 1.24 0.00 -0.55 0.00 0.00 41.25 39.50 1xck s ASN 479 CO 0.00 -0.94 1.81 0.00 -2.79 0.00 0.00 177.10 175.19 1xck h ALA 480 N 8.62 2.48 -0.43 1.71 0.00 -1.94 0.52 119.26 130.21 1xck h ALA 480 Ca 0.03 0.02 -0.05 0.00 0.00 0.00 0.00 54.91 54.91 1xck h ALA 480 Cb 1.04 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.85 1xck h ALA 480 CO 1.00 -0.83 0.09 0.00 0.00 0.00 0.00 179.25 179.52 1xck h ALA 481 N 1.57 0.57 -0.01 0.00 0.00 -1.96 -3.29 119.26 116.14 1xck h ALA 481 Ca 0.54 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 55.24 1xck h ALA 481 Cb 1.60 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 19.23 1xck h ALA 481 CO -0.17 0.27 -0.27 0.25 0.00 0.00 0.00 179.25 179.32 1xck n THR 482 N -4.51 0.00 -2.17 0.00 -2.24 -0.61 -4.98 114.28 99.77 1xck n THR 482 Ca 0.00 -0.36 -0.19 0.00 -2.27 0.00 0.00 64.05 61.23 1xck n THR 482 Cb 0.22 1.21 -0.02 0.00 -2.10 0.00 0.00 70.33 69.63 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 0.02 -1.45 -5.06 -0.78 1.02 0.17 -4.99 120.64 109.58 1xck n GLU 483 Ca 0.07 0.96 -0.32 0.00 -0.02 0.00 0.00 57.16 57.85 1xck n GLU 483 Cb 0.34 -5.44 -0.15 0.00 -0.02 0.00 0.00 31.44 26.17 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 -4.63 2.55 0.41 3.49 0.41 -1.19 -4.91 118.70 114.84 1xck s GLU 484 Ca 0.00 -0.80 -0.07 0.00 -0.41 0.00 0.00 54.97 53.70 1xck s GLU 484 Cb 0.00 -2.29 -0.05 0.00 -1.78 0.00 0.00 34.13 30.01 1xck s GLU 484 CO 0.00 0.50 0.72 0.71 -0.49 0.00 0.00 175.26 176.70 1xck s TYR 485 N -0.42 3.51 -4.88 1.61 1.51 -1.26 -1.13 117.35 116.28 1xck s TYR 485 Ca 0.04 0.85 0.00 0.00 -1.01 0.00 0.00 57.07 56.95 1xck s TYR 485 Cb -0.12 -2.30 0.00 0.00 -0.11 0.00 0.00 41.96 39.43 1xck s TYR 485 CO 0.02 -0.11 0.00 0.41 -1.11 0.00 0.00 175.55 174.76 1xck n GLY 486 N -1.61 -0.73 3.60 0.71 0.00 -0.51 -4.94 105.19 101.70 1xck n GLY 486 Ca 0.01 -1.14 -0.43 0.00 0.00 0.00 0.00 46.02 44.46 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 0.29 1.61 3.84 -1.26 -0.56 114.94 121.55 1xck s ASN 487 Ca 0.00 0.57 0.02 0.00 0.21 0.00 0.00 52.86 53.66 1xck s ASN 487 Cb 0.00 -2.50 0.59 0.00 -0.55 0.00 0.00 41.25 38.79 1xck s ASN 487 CO 0.00 -0.99 1.84 0.24 -2.79 0.00 0.00 177.10 175.40 1xck h MET 488 N 8.68 0.93 -0.09 0.43 2.86 -0.87 -0.11 114.93 126.76 1xck h MET 488 Ca -0.23 -0.06 -0.03 0.00 -2.06 0.00 0.00 59.70 57.33 1xck h MET 488 Cb 1.07 -0.21 -0.00 0.00 0.06 0.00 0.00 31.60 32.52 1xck h MET 488 CO 1.03 0.61 -0.04 0.82 1.06 0.00 0.00 176.91 180.39 1xck h ILE 489 N 0.96 1.32 -0.60 -1.22 1.08 -1.76 0.14 117.51 117.43 1xck h ILE 489 Ca 0.49 -1.06 0.08 0.00 -0.39 0.00 0.00 64.86 63.98 1xck h ILE 489 Cb 0.52 1.84 -0.06 0.00 -3.07 0.00 0.00 36.82 36.04 1xck h ILE 489 CO -0.26 0.30 0.26 0.44 -0.69 0.00 0.00 178.15 178.20 1xck h ASP 490 N -0.18 0.31 0.00 1.72 3.32 -1.81 0.28 116.42 120.07 1xck h ASP 490 Ca 0.02 0.06 0.00 0.00 0.02 0.00 0.00 57.03 57.13 1xck h ASP 490 Cb 0.49 0.02 0.00 0.00 0.22 0.00 0.00 39.33 40.06 1xck h ASP 490 CO 0.01 0.19 0.00 0.23 -1.72 0.00 0.00 179.24 177.95 1xck n MET 491 N -4.94 0.59 -2.13 3.56 2.81 -0.10 -4.85 117.12 112.06 1xck n MET 491 Ca 0.08 0.00 -0.11 0.00 -1.81 0.00 0.00 57.70 55.86 1xck n MET 491 Cb 0.23 -1.43 -0.01 0.00 -0.71 0.00 0.00 33.22 31.31 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 0.16 0.04 3.05 3.03 0.00 0.10 -4.99 105.19 106.58 1xck n GLY 492 Ca 0.12 -0.44 -0.34 0.00 0.00 0.00 0.00 46.02 45.36 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 -2.53 3.25 0.28 -0.61 1.01 0.45 -5.01 121.20 118.05 1xck s ILE 493 Ca 0.00 -2.94 0.02 0.00 0.00 0.00 0.00 60.65 57.73 1xck s ILE 493 Cb 0.00 -3.18 -0.04 0.00 0.01 0.00 0.00 42.46 39.25 1xck s ILE 493 CO 0.00 -0.82 0.14 -1.48 0.00 0.00 0.00 174.94 172.78 1xck s LEU 494 N 0.05 1.60 0.00 2.97 0.05 -1.26 -0.28 118.68 121.82 1xck s LEU 494 Ca 0.16 -1.49 0.00 0.00 0.05 0.00 0.00 54.13 52.85 1xck s LEU 494 Cb -0.22 0.17 -0.01 0.00 -2.05 0.00 0.00 46.19 44.09 1xck s LEU 494 CO -0.03 -0.84 -0.01 -1.81 -0.55 0.00 0.00 176.35 173.11 1xck s ASP 495 N -3.33 0.13 0.21 1.48 1.01 -0.42 -4.55 116.67 111.20 1xck s ASP 495 Ca 0.37 -0.12 -0.31 0.00 0.71 0.00 0.00 52.55 53.19 1xck s ASP 495 Cb 0.06 0.01 -0.10 0.00 1.01 0.00 0.00 42.92 43.90 1xck s ASP 495 CO 0.16 -0.06 1.56 -2.84 0.21 0.00 0.00 175.17 174.20 1xck s PRO 496 N -0.35 4.20 0.43 8.23 0.02 -1.26 -1.53 135.00 144.75 1xck s PRO 496 Ca -0.03 2.40 0.23 0.00 0.02 0.00 0.00 61.00 63.62 1xck s PRO 496 Cb -0.02 -3.12 1.21 0.00 0.02 0.00 0.00 34.50 32.59 1xck s PRO 496 CO -0.00 -0.58 1.77 1.15 -0.33 0.00 0.00 177.00 179.01 1xck h THR 497 N 3.80 0.48 -0.96 0.99 2.02 -1.18 0.16 112.91 118.22 1xck h THR 497 Ca -0.44 -0.10 0.03 0.00 0.77 0.00 0.00 66.41 66.67 1xck h THR 497 Cb 1.21 0.16 -0.06 0.00 -1.74 0.00 0.00 68.15 67.73 1xck h THR 497 CO 0.87 0.05 0.63 0.50 0.37 0.00 0.00 175.52 177.95 1xck h LYS 498 N 0.30 1.19 -0.22 6.66 3.64 -1.82 0.80 116.57 127.11 1xck h LYS 498 Ca 0.59 -0.07 -0.18 0.00 -1.27 0.00 0.00 60.65 59.72 1xck h LYS 498 Cb 1.70 -0.27 -0.00 0.00 -0.41 0.00 0.00 32.23 33.25 1xck h LYS 498 CO -0.24 0.79 -0.60 -0.39 -2.27 0.00 0.00 179.45 176.74 1xck h VAL 499 N 1.22 1.30 -0.29 2.00 -1.51 -1.00 -0.27 116.25 117.70 1xck h VAL 499 Ca 0.38 -1.82 -0.05 0.00 -1.23 0.00 0.00 66.70 63.97 1xck h VAL 499 Cb -0.01 1.77 -0.01 0.00 -2.13 0.00 0.00 31.29 30.91 1xck h VAL 499 CO -0.12 0.58 -0.03 0.74 -1.23 0.00 0.00 177.57 177.51 1xck h THR 500 N 0.54 1.27 -0.36 7.19 2.02 -1.34 0.44 112.91 122.66 1xck h THR 500 Ca -0.00 -1.00 0.03 0.00 0.77 0.00 0.00 66.41 66.20 1xck h THR 500 Cb 1.18 1.33 -0.03 0.00 -1.74 0.00 0.00 68.15 68.90 1xck h THR 500 CO 0.12 0.32 0.18 -0.09 0.37 0.00 0.00 175.52 176.42 1xck h ARG 501 N 0.32 0.36 -0.01 6.66 2.43 -0.76 -2.15 114.38 121.22 1xck h ARG 501 Ca 0.08 -0.02 -0.00 0.00 -0.81 0.00 0.00 59.98 59.23 1xck h ARG 501 Cb 0.48 -0.08 -0.00 0.00 -0.42 0.00 0.00 29.97 29.95 1xck h ARG 501 CO 0.02 0.23 0.00 0.77 -1.51 0.00 0.00 179.97 179.49 1xck h SER 502 N 0.37 0.01 -0.70 -3.80 0.02 -0.84 -1.45 113.55 107.16 1xck h SER 502 Ca 0.15 -0.09 0.12 0.00 -0.84 0.00 0.00 61.79 61.13 1xck h SER 502 Cb 0.07 -0.00 -0.08 0.00 0.14 0.00 0.00 62.40 62.52 1xck h SER 502 CO -0.11 0.10 0.29 0.00 -1.14 0.00 0.00 176.83 175.97 1xck h ALA 503 N 0.91 0.96 0.16 3.77 0.00 -0.75 0.19 119.26 124.49 1xck h ALA 503 Ca 0.00 0.09 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 1xck h ALA 503 Cb 0.09 0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.93 1xck h ALA 503 CO -0.00 -0.17 -0.08 1.25 0.00 0.00 0.00 179.25 180.26 1xck h LEU 504 N 0.47 -0.18 -0.65 0.00 5.85 -1.22 -1.68 115.31 117.89 1xck h LEU 504 Ca 0.37 -0.25 0.01 0.00 0.84 0.00 0.00 57.88 58.85 1xck h LEU 504 Cb 0.49 0.05 -0.03 0.00 0.37 0.00 0.00 40.66 41.53 1xck h LEU 504 CO -0.34 0.16 0.43 1.56 -0.34 0.00 0.00 178.44 179.90 1xck h GLN 505 N -0.54 0.84 -0.32 1.25 4.20 -0.92 -0.26 115.11 119.36 1xck h GLN 505 Ca -0.02 -0.05 -0.06 0.00 0.06 0.00 0.00 58.65 58.57 1xck h GLN 505 Cb 0.42 -0.19 -0.01 0.00 0.30 0.00 0.00 27.48 28.00 1xck h GLN 505 CO 0.04 0.55 -0.05 1.88 -0.67 0.00 0.00 178.83 180.58 1xck h TYR 506 N 0.86 0.66 -0.05 2.96 0.05 -1.02 -0.51 116.97 119.92 1xck h TYR 506 Ca 0.24 -0.13 0.02 0.00 0.05 0.00 0.00 58.73 58.91 1xck h TYR 506 Cb -0.08 -0.16 -0.02 0.00 1.01 0.00 0.00 36.73 37.48 1xck h TYR 506 CO -0.03 0.75 -0.06 0.00 -1.05 0.00 0.00 178.16 177.77 1xck h ALA 507 N 0.81 -0.02 -0.44 3.88 0.00 -1.02 -1.88 119.26 120.60 1xck h ALA 507 Ca 0.08 0.02 0.01 0.00 0.00 0.00 0.00 54.91 55.03 1xck h ALA 507 Cb 0.53 0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.42 1xck h ALA 507 CO 0.03 -0.54 0.29 0.00 0.00 0.00 0.00 179.25 179.03 1xck h ALA 508 N 0.95 1.73 0.39 0.00 0.00 -0.97 -0.63 119.26 120.73 1xck h ALA 508 Ca 0.04 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.91 1xck h ALA 508 Cb 0.15 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.78 1xck h ALA 508 CO -0.10 0.24 -0.19 1.03 0.00 0.00 0.00 179.25 180.23 1xck h SER 509 N 0.55 -0.44 0.15 0.00 0.87 -0.29 0.01 113.55 114.41 1xck h SER 509 Ca 0.17 -0.05 -0.12 0.00 -1.23 0.00 0.00 61.79 60.56 1xck h SER 509 Cb -0.01 0.11 -0.01 0.00 -0.44 0.00 0.00 62.40 62.05 1xck h SER 509 CO -0.04 -0.22 -0.42 1.62 -0.53 0.00 0.00 176.83 177.24 1xck h VAL 510 N -0.63 1.31 -0.64 2.23 3.04 -1.22 -2.41 116.25 117.93 1xck h VAL 510 Ca -0.05 -1.56 -0.08 0.00 -1.01 0.00 0.00 66.70 64.00 1xck h VAL 510 Cb 0.46 1.66 -0.03 0.00 -2.01 0.00 0.00 31.29 31.37 1xck h VAL 510 CO 0.09 0.47 0.11 0.00 -1.01 0.00 0.00 177.57 177.23 1xck h ALA 511 N 1.28 0.85 -0.63 3.17 0.00 -1.04 -1.66 119.26 121.24 1xck h ALA 511 Ca 0.02 -0.27 -0.01 0.00 0.00 0.00 0.00 54.91 54.66 1xck h ALA 511 Cb 0.86 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 18.38 1xck h ALA 511 CO 0.07 0.61 0.35 0.78 0.00 0.00 0.00 179.25 181.07 1xck h GLY 512 N 0.98 0.93 0.97 0.00 0.00 -0.72 -1.08 103.07 104.15 1xck h GLY 512 Ca 0.20 -0.41 -0.01 0.00 0.00 0.00 0.00 47.33 47.10 1xck h GLY 512 CO 0.01 0.40 0.23 1.41 0.00 0.00 0.00 176.54 178.59 1xck h LEU 513 N 0.86 0.55 -0.38 3.11 3.38 -1.09 -2.46 115.31 119.28 1xck h LEU 513 Ca 0.22 -0.10 -0.07 0.00 0.09 0.00 0.00 57.88 58.02 1xck h LEU 513 Cb 0.03 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.62 1xck h LEU 513 CO -0.04 0.50 -0.03 0.24 0.09 0.00 0.00 178.44 179.20 1xck h MET 514 N 0.57 0.69 -0.20 1.13 2.86 -1.13 -2.55 114.93 116.30 1xck h MET 514 Ca 0.15 -0.24 0.06 0.00 -2.06 0.00 0.00 59.70 57.61 1xck h MET 514 Cb 0.08 -0.05 -0.01 0.00 0.06 0.00 0.00 31.60 31.68 1xck h MET 514 CO -0.02 0.81 0.17 0.82 1.06 0.00 0.00 176.91 179.74 1xck h ILE 515 N 0.50 0.71 -0.73 -1.22 2.04 -1.06 -1.23 117.51 116.52 1xck h ILE 515 Ca 0.10 0.00 -0.36 0.00 1.00 0.00 0.00 64.86 65.60 1xck h ILE 515 Cb 0.52 0.88 -0.22 0.00 -0.74 0.00 0.00 36.82 37.26 1xck h ILE 515 CO 0.03 0.00 0.34 0.35 0.00 0.00 0.00 178.15 178.87 1xck n THR 516 N -4.19 2.93 -3.79 -0.27 -2.24 -0.94 -4.80 114.28 100.99 1xck n THR 516 Ca 0.02 -2.20 -0.35 0.00 -2.27 0.00 0.00 64.05 59.24 1xck n THR 516 Cb 0.30 -0.40 -0.08 0.00 -2.10 0.00 0.00 70.33 68.05 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 -3.25 5.38 -0.05 4.28 2.01 -0.47 -4.97 115.64 118.58 1xck s THR 517 Ca 0.52 0.18 0.05 0.00 0.31 0.00 0.00 61.69 62.75 1xck s THR 517 Cb 0.45 -3.43 -0.08 0.00 0.01 0.00 0.00 72.50 69.45 1xck s THR 517 CO 0.07 0.48 0.14 -0.62 -0.69 0.00 0.00 174.62 174.00 1xck n GLU 518 N 3.17 1.20 -3.86 4.92 -0.58 -1.26 -4.80 120.64 119.43 1xck n GLU 518 Ca -0.17 -0.04 -0.11 0.00 -0.42 0.00 0.00 57.16 56.42 1xck n GLU 518 Cb 0.53 -1.05 -0.10 0.00 -0.57 0.00 0.00 31.44 30.25 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 -1.08 0.66 -0.09 0.00 -1.94 0.05 -5.00 119.30 111.90 1xck s MET 520 Ca -0.12 -0.11 0.04 0.00 -1.71 0.00 0.00 55.69 53.79 1xck s MET 520 Cb -0.06 -0.68 0.00 0.00 2.01 0.00 0.00 34.83 36.10 1xck s MET 520 CO 0.01 -0.03 -0.21 0.08 -0.01 0.00 0.00 175.02 174.86 1xck s VAL 521 N 0.64 1.83 0.26 -6.03 1.01 -1.26 -1.18 120.40 115.68 1xck s VAL 521 Ca -0.08 -0.89 -0.11 0.00 0.00 0.00 0.00 61.98 60.90 1xck s VAL 521 Cb -0.11 -1.59 -0.00 0.00 0.00 0.00 0.00 36.38 34.67 1xck s VAL 521 CO -0.00 0.51 0.48 0.28 0.00 0.00 0.00 175.10 176.36 1xck s THR 522 N 0.40 0.00 0.63 3.92 -1.32 -0.83 -4.97 115.64 113.47 1xck s THR 522 Ca -0.17 -1.44 -0.15 0.00 -1.21 0.00 0.00 61.69 58.71 1xck s THR 522 Cb -0.17 -2.31 -0.01 0.00 -1.51 0.00 0.00 72.50 68.49 1xck s THR 522 CO 0.07 0.00 1.09 -1.81 -2.21 0.00 0.00 174.62 171.76 1xck s ASP 523 N -3.06 5.39 0.16 8.08 1.01 -1.26 0.36 116.67 127.35 1xck s ASP 523 Ca 0.24 1.91 -0.30 0.00 0.71 0.00 0.00 52.55 55.11 1xck s ASP 523 Cb -0.00 -2.54 -0.07 0.00 1.01 0.00 0.00 42.92 41.31 1xck s ASP 523 CO 0.11 -1.44 1.15 -0.22 0.21 0.00 0.00 175.17 174.98 1xck s LEU 524 N -4.76 4.46 0.00 1.23 2.96 -1.19 -4.51 118.68 116.86 1xck s LEU 524 Ca 0.65 2.13 0.00 0.00 -0.22 0.00 0.00 54.13 56.69 1xck s LEU 524 Cb -0.18 -3.60 0.00 0.00 0.50 0.00 0.00 46.19 42.91 1xck s LEU 524 CO 0.40 -0.31 0.40 -0.81 -1.32 0.00 0.00 176.35 174.71