#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xck n ALA 3 N 0.00 0.95 -2.06 0.00 0.00 -1.26 -4.94 120.51 113.20 1xck n ALA 3 Ca 0.00 0.45 -0.18 0.00 0.00 0.00 0.00 53.44 53.71 1xck n ALA 3 Cb 0.00 -2.32 0.00 0.00 0.00 0.00 0.00 19.45 17.14 1xck n ALA 3 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1xck s LYS 4 N 1.06 2.75 -0.22 0.00 -0.14 -1.26 -3.10 119.74 118.83 1xck s LYS 4 Ca 0.81 -1.32 0.02 0.00 -1.36 0.00 0.00 55.97 54.11 1xck s LYS 4 Cb -0.73 -2.67 0.04 0.00 -1.68 0.00 0.00 37.83 32.79 1xck s LYS 4 CO 0.40 -0.28 -0.14 0.34 -0.76 0.00 0.00 175.35 174.92 1xck s ASP 5 N -4.32 3.72 -0.18 2.83 -1.08 0.86 -4.74 116.67 113.76 1xck s ASP 5 Ca 0.54 -1.01 -0.04 0.00 -0.52 0.00 0.00 52.55 51.52 1xck s ASP 5 Cb -0.08 -1.45 -0.02 0.00 -1.46 0.00 0.00 42.92 39.91 1xck s ASP 5 CO 0.32 -0.11 -0.03 -0.69 0.52 0.00 0.00 175.17 175.18 1xck s VAL 6 N 1.24 3.79 0.06 1.11 1.01 -1.26 -2.22 120.40 124.14 1xck s VAL 6 Ca -0.02 -0.38 0.07 0.00 0.00 0.00 0.00 61.98 61.66 1xck s VAL 6 Cb -0.17 -2.69 -0.03 0.00 0.00 0.00 0.00 36.38 33.49 1xck s VAL 6 CO -0.09 0.46 -0.17 -0.54 0.00 0.00 0.00 175.10 174.76 1xck s LYS 7 N 0.81 2.01 0.38 2.72 1.02 -0.46 -4.99 119.74 121.24 1xck s LYS 7 Ca -0.01 -1.03 0.08 0.00 0.02 0.00 0.00 55.97 55.03 1xck s LYS 7 Cb -0.14 -2.19 -0.07 0.00 -0.52 0.00 0.00 37.83 34.91 1xck s LYS 7 CO 0.02 0.52 0.00 -0.06 -0.92 0.00 0.00 175.35 174.92 1xck s PHE 8 N -1.00 2.50 0.00 3.18 0.08 -1.26 -1.26 117.98 120.22 1xck s PHE 8 Ca 0.16 -0.58 0.00 0.00 0.12 0.00 0.00 56.93 56.63 1xck s PHE 8 Cb -0.11 -1.66 0.00 0.00 -0.57 0.00 0.00 43.02 40.68 1xck s PHE 8 CO 0.07 0.46 0.00 0.41 -0.10 0.00 0.00 175.22 176.06 1xck n GLY 9 N -0.96 0.44 0.31 4.36 0.00 0.69 -1.29 105.19 108.74 1xck n GLY 9 Ca -0.04 0.06 0.00 0.00 0.00 0.00 0.00 46.02 46.03 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 0.78 -0.68 1.61 -0.73 -1.93 -0.81 115.58 113.83 1xck h ASN 10 Ca 0.00 0.02 0.07 0.00 1.87 0.00 0.00 56.30 58.25 1xck h ASN 10 Cb 0.00 -0.15 -0.06 0.00 0.27 0.00 0.00 38.32 38.39 1xck h ASN 10 CO 0.00 0.51 0.37 -0.78 -0.37 0.00 0.00 177.43 177.15 1xck h ASP 11 N 0.92 0.54 -0.19 1.15 -0.00 -1.83 -1.63 116.42 115.38 1xck h ASP 11 Ca 0.36 0.04 -0.03 0.00 -0.00 0.00 0.00 57.03 57.39 1xck h ASP 11 Cb 0.16 -0.07 -0.01 0.00 -0.00 0.00 0.00 39.33 39.42 1xck h ASP 11 CO -0.17 0.34 0.00 0.00 -0.00 0.00 0.00 179.24 179.41 1xck h ALA 12 N 1.36 0.25 -0.83 -0.78 0.00 -0.41 -3.14 119.26 115.71 1xck h ALA 12 Ca 0.31 -0.20 -0.02 0.00 0.00 0.00 0.00 54.91 55.00 1xck h ALA 12 Cb 0.22 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 17.90 1xck h ALA 12 CO -0.20 -0.04 0.44 0.00 0.00 0.00 0.00 179.25 179.45 1xck h ARG 13 N 0.08 1.16 -0.61 0.00 3.08 -0.74 -2.10 114.38 115.26 1xck h ARG 13 Ca 0.05 -0.14 -0.07 0.00 0.07 0.00 0.00 59.98 59.89 1xck h ARG 13 Cb 0.38 -0.22 -0.03 0.00 0.08 0.00 0.00 29.97 30.18 1xck h ARG 13 CO 0.01 0.86 0.09 -0.39 -1.07 0.00 0.00 179.97 179.47 1xck h VAL 14 N 1.16 1.25 -0.06 2.04 -1.51 -1.35 -0.51 116.25 117.28 1xck h VAL 14 Ca 0.29 -1.00 0.02 0.00 -1.23 0.00 0.00 66.70 64.78 1xck h VAL 14 Cb 0.05 0.69 -0.02 0.00 -2.13 0.00 0.00 31.29 29.88 1xck h VAL 14 CO -0.04 0.37 -0.06 0.11 -1.23 0.00 0.00 177.57 176.72 1xck h LYS 15 N 0.93 -0.08 -0.24 5.19 1.79 -1.43 0.23 116.57 122.96 1xck h LYS 15 Ca 0.19 0.01 0.02 0.00 -2.18 0.00 0.00 60.65 58.68 1xck h LYS 15 Cb 0.42 0.02 -0.02 0.00 -1.58 0.00 0.00 32.23 31.07 1xck h LYS 15 CO 0.01 -0.05 0.11 0.52 -1.08 0.00 0.00 179.45 178.96 1xck h MET 16 N -0.08 0.23 0.05 3.15 2.86 -1.03 -1.05 114.93 119.06 1xck h MET 16 Ca 0.04 -0.01 0.02 0.00 -2.06 0.00 0.00 59.70 57.69 1xck h MET 16 Cb 0.14 -0.05 -0.03 0.00 0.06 0.00 0.00 31.60 31.72 1xck h MET 16 CO -0.10 0.15 -0.16 1.25 1.06 0.00 0.00 176.91 179.11 1xck h LEU 17 N 0.24 -0.46 -1.44 1.22 5.85 -0.68 0.57 115.31 120.61 1xck h LEU 17 Ca 0.10 0.06 0.20 0.00 0.84 0.00 0.00 57.88 59.08 1xck h LEU 17 Cb 0.04 0.18 -0.07 0.00 0.37 0.00 0.00 40.66 41.18 1xck h LEU 17 CO -0.08 -0.23 0.60 -0.09 -0.34 0.00 0.00 178.44 178.30 1xck h ARG 18 N -0.29 0.45 -0.04 1.25 9.65 -0.33 0.10 114.38 125.18 1xck h ARG 18 Ca 0.04 -0.03 -0.04 0.00 -1.10 0.00 0.00 59.98 58.85 1xck h ARG 18 Cb 0.33 -0.10 0.00 0.00 -1.39 0.00 0.00 29.97 28.81 1xck h ARG 18 CO -0.12 0.30 -0.13 0.78 2.80 0.00 0.00 179.97 183.60 1xck h GLY 19 N 0.47 0.18 2.00 2.80 0.00 0.06 -3.01 103.07 105.58 1xck h GLY 19 Ca 0.48 -0.23 -0.02 0.00 0.00 0.00 0.00 47.33 47.56 1xck h GLY 19 CO -0.20 0.21 -0.09 -0.39 0.00 0.00 0.00 176.54 176.07 1xck h VAL 20 N -0.37 0.28 -0.38 4.60 -1.51 0.24 -2.64 116.25 116.46 1xck h VAL 20 Ca -0.00 -0.66 -0.07 0.00 -1.23 0.00 0.00 66.70 64.73 1xck h VAL 20 Cb 0.75 1.52 -0.01 0.00 -2.13 0.00 0.00 31.29 31.41 1xck h VAL 20 CO 0.03 0.09 -0.05 0.78 -1.23 0.00 0.00 177.57 177.19 1xck h ASN 21 N 0.00 0.71 -0.13 4.19 2.35 -0.80 0.23 115.58 122.13 1xck h ASN 21 Ca -0.00 -0.34 0.01 0.00 -0.55 0.00 0.00 56.30 55.43 1xck h ASN 21 Cb 0.51 -0.19 -0.01 0.00 0.05 0.00 0.00 38.32 38.67 1xck h ASN 21 CO 0.01 0.88 0.03 0.58 -1.65 0.00 0.00 177.43 177.28 1xck h VAL 22 N 0.52 0.95 0.40 2.81 2.07 -1.34 0.23 116.25 121.90 1xck h VAL 22 Ca 0.10 -0.03 -0.01 0.00 0.82 0.00 0.00 66.70 67.59 1xck h VAL 22 Cb 0.54 0.86 -0.02 0.00 -1.52 0.00 0.00 31.29 31.15 1xck h VAL 22 CO 0.03 0.02 -0.34 0.25 0.02 0.00 0.00 177.57 177.54 1xck h LEU 23 N 0.09 -0.90 -0.13 2.57 5.85 -1.34 -2.20 115.31 119.24 1xck h LEU 23 Ca 0.06 0.07 0.01 0.00 0.84 0.00 0.00 57.88 58.85 1xck h LEU 23 Cb 0.04 0.30 -0.01 0.00 0.37 0.00 0.00 40.66 41.36 1xck h LEU 23 CO -0.07 -0.49 0.07 0.00 -0.34 0.00 0.00 178.44 177.61 1xck h ALA 24 N -0.29 0.16 -0.34 1.25 0.00 -0.35 -1.91 119.26 117.77 1xck h ALA 24 Ca -0.03 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.86 1xck h ALA 24 Cb 0.65 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.39 1xck h ALA 24 CO -0.03 -0.37 0.14 -0.44 0.00 0.00 0.00 179.25 178.56 1xck h ASP 25 N 0.15 0.42 -0.10 0.00 3.32 -0.55 0.20 116.42 119.86 1xck h ASP 25 Ca 0.05 -0.04 -0.19 0.00 0.02 0.00 0.00 57.03 56.88 1xck h ASP 25 Cb -0.00 -0.11 -0.00 0.00 0.22 0.00 0.00 39.33 39.44 1xck h ASP 25 CO -0.03 0.38 -0.62 0.00 -1.72 0.00 0.00 179.24 177.26 1xck h ALA 26 N 1.69 0.52 0.18 3.45 0.00 -1.14 -3.33 119.26 120.62 1xck h ALA 26 Ca 0.12 -0.54 -0.24 0.00 0.00 0.00 0.00 54.91 54.25 1xck h ALA 26 Cb 0.09 -0.06 0.03 0.00 0.00 0.00 0.00 17.79 17.84 1xck h ALA 26 CO -0.01 0.69 -1.04 0.28 0.00 0.00 0.00 179.25 179.17 1xck h VAL 27 N 0.53 1.43 0.00 0.00 2.07 -0.86 -3.36 116.25 116.06 1xck h VAL 27 Ca -0.01 -2.58 0.00 0.00 0.82 0.00 0.00 66.70 64.93 1xck h VAL 27 Cb 1.21 3.14 0.00 0.00 -1.52 0.00 0.00 31.29 34.11 1xck h VAL 27 CO 0.12 0.75 0.00 2.29 0.02 0.00 0.00 177.57 180.75 1xck n LYS 28 N -3.99 0.08 0.19 1.57 2.85 0.66 -2.50 118.16 117.04 1xck n LYS 28 Ca -0.15 0.42 0.14 0.00 -1.05 0.00 0.00 58.31 57.67 1xck n LYS 28 Cb 0.92 -1.69 0.56 0.00 -0.65 0.00 0.00 35.03 34.16 1xck n LYS 28 CO 0.00 0.00 0.00 -0.39 -0.05 0.00 0.00 177.40 176.96 1xck h VAL 29 N 0.00 0.00 0.00 0.58 -1.51 -1.72 -2.96 116.25 110.64 1xck h VAL 29 Ca 0.00 -0.39 -0.08 0.00 -1.23 0.00 0.00 66.70 65.01 1xck h VAL 29 Cb 0.20 1.25 -0.01 0.00 -2.13 0.00 0.00 31.29 30.60 1xck h VAL 29 CO 0.00 0.00 -1.11 0.71 -1.23 0.00 0.00 177.57 175.94 1xck h THR 30 N 0.00 0.25 -2.03 7.19 1.35 -1.68 0.35 112.91 118.34 1xck h THR 30 Ca 0.00 -1.47 -0.62 0.00 -0.55 0.00 0.00 66.41 63.77 1xck h THR 30 Cb 0.47 1.79 0.03 0.00 -1.73 0.00 0.00 68.15 68.70 1xck h THR 30 CO 0.00 0.14 0.95 -0.11 -0.25 0.00 0.00 175.52 176.25 1xck n LEU 31 N -2.81 3.12 0.00 3.87 7.94 -1.12 -4.02 117.00 123.97 1xck n LEU 31 Ca -0.04 1.03 0.00 0.00 -1.11 0.00 0.00 56.01 55.89 1xck n LEU 31 Cb 0.68 -1.35 0.00 0.00 0.53 0.00 0.00 43.42 43.28 1xck n LEU 31 CO 0.41 -0.23 0.00 0.61 -1.11 0.00 0.00 177.39 177.07 1xck n GLY 32 N 3.96 1.39 0.23 -3.96 0.00 -1.26 -4.31 105.19 101.24 1xck n GLY 32 Ca 0.21 -2.04 0.07 0.00 0.00 0.00 0.00 46.02 44.26 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 -0.73 1.61 0.13 -1.91 -2.60 132.00 128.50 1xck h PRO 33 Ca 0.00 0.00 -0.36 0.00 -0.87 0.00 0.00 66.00 64.77 1xck h PRO 33 Cb 0.00 0.00 -0.22 0.00 0.13 0.00 0.00 31.00 30.91 1xck h PRO 33 CO 0.00 0.21 0.35 1.63 -0.23 0.00 0.00 178.00 179.95 1xck n LYS 34 N -4.05 2.22 -1.73 0.86 4.76 -1.26 -5.02 118.16 113.94 1xck n LYS 34 Ca -0.02 -3.08 -0.37 0.00 -2.87 0.00 0.00 58.31 51.97 1xck n LYS 34 Cb 0.28 -2.04 0.07 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 -1.06 0.57 3.98 0.72 0.00 -0.98 -4.60 105.19 103.82 1xck n GLY 35 Ca 0.48 -0.13 -0.23 0.00 0.00 0.00 0.00 46.02 46.15 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 -3.30 2.10 0.05 1.61 1.81 0.12 -4.91 118.95 116.43 1xck s ARG 36 Ca 0.81 -0.93 -0.08 0.00 -1.72 0.00 0.00 55.73 53.82 1xck s ARG 36 Cb -0.39 -2.39 -0.05 0.00 -0.45 0.00 0.00 34.95 31.67 1xck s ARG 36 CO 0.41 -1.11 0.33 -0.80 -0.68 0.00 0.00 175.30 173.46 1xck s ASN 37 N -4.59 6.56 -0.07 0.23 0.02 -1.26 -4.33 114.94 111.50 1xck s ASN 37 Ca 0.62 0.66 0.05 0.00 -1.02 0.00 0.00 52.86 53.17 1xck s ASN 37 Cb -0.08 -2.13 -0.01 0.00 0.02 0.00 0.00 41.25 39.06 1xck s ASN 37 CO 0.42 0.20 -0.24 -0.69 0.02 0.00 0.00 177.10 176.81 1xck s VAL 38 N -1.37 2.14 -0.27 1.60 1.01 0.73 -4.93 120.40 119.31 1xck s VAL 38 Ca 0.31 -1.02 -0.10 0.00 0.00 0.00 0.00 61.98 61.17 1xck s VAL 38 Cb -0.13 -1.79 -0.05 0.00 0.00 0.00 0.00 36.38 34.41 1xck s VAL 38 CO 0.18 0.57 0.17 -0.69 0.00 0.00 0.00 175.10 175.32 1xck s VAL 39 N -0.00 5.13 -0.30 2.92 1.01 -1.26 -0.97 120.40 126.93 1xck s VAL 39 Ca -0.08 0.11 -0.08 0.00 0.00 0.00 0.00 61.98 61.93 1xck s VAL 39 Cb -0.15 -3.43 0.00 0.00 0.00 0.00 0.00 36.38 32.80 1xck s VAL 39 CO 0.05 0.27 0.10 -0.76 0.00 0.00 0.00 175.10 174.77 1xck s LEU 40 N 1.68 3.93 0.46 3.92 1.43 0.18 -4.92 118.68 125.35 1xck s LEU 40 Ca 0.07 -0.65 -0.22 0.00 -1.03 0.00 0.00 54.13 52.29 1xck s LEU 40 Cb -0.16 -1.92 -0.08 0.00 0.03 0.00 0.00 46.19 44.07 1xck s LEU 40 CO 0.09 -0.19 1.12 -0.62 0.23 0.00 0.00 176.35 176.98 1xck s ASP 41 N 1.53 6.28 -0.06 2.29 2.15 -1.26 -0.06 116.67 127.54 1xck s ASP 41 Ca 0.03 2.18 0.02 0.00 0.43 0.00 0.00 52.55 55.22 1xck s ASP 41 Cb -0.17 -2.59 0.01 0.00 -0.30 0.00 0.00 42.92 39.87 1xck s ASP 41 CO 0.04 -0.83 -0.12 -0.54 -0.17 0.00 0.00 175.17 173.54 1xck s LYS 42 N -2.77 1.67 0.34 4.34 1.02 -1.26 -4.88 119.74 118.20 1xck s LYS 42 Ca 0.64 -0.41 0.14 0.00 0.02 0.00 0.00 55.97 56.35 1xck s LYS 42 Cb -0.25 -1.39 1.07 0.00 -0.52 0.00 0.00 37.83 36.74 1xck s LYS 42 CO 0.30 0.04 1.65 0.66 -0.92 0.00 0.00 175.35 177.08 1xck h SER 43 N 6.92 0.43 -3.51 2.83 4.64 -1.96 -3.37 113.55 119.53 1xck h SER 43 Ca -0.31 0.20 -0.67 0.00 -0.47 0.00 0.00 61.79 60.54 1xck h SER 43 Cb 1.19 0.17 -0.28 0.00 -0.31 0.00 0.00 62.40 63.16 1xck h SER 43 CO 0.47 -0.17 -0.69 -0.36 -0.87 0.00 0.00 176.83 175.22 1xck s PHE 44 N -5.68 3.06 0.00 4.77 0.08 -1.26 -5.04 117.98 113.91 1xck s PHE 44 Ca -0.10 -1.10 0.00 0.00 0.12 0.00 0.00 56.93 55.85 1xck s PHE 44 Cb 0.30 -2.15 0.00 0.00 -0.57 0.00 0.00 43.02 40.60 1xck s PHE 44 CO 0.79 -0.60 0.00 0.41 -0.10 0.00 0.00 175.22 175.72 1xck n GLY 45 N 4.79 -1.38 3.85 4.36 0.00 -1.26 -4.96 105.19 110.59 1xck n GLY 45 Ca -0.16 -1.88 -0.32 0.00 0.00 0.00 0.00 46.02 43.66 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 -1.89 3.25 0.93 4.61 0.00 -1.26 -4.82 121.76 122.59 1xck s ALA 46 Ca 0.00 0.05 -0.11 0.00 0.00 0.00 0.00 51.96 51.90 1xck s ALA 46 Cb 0.00 -2.85 0.15 0.00 0.00 0.00 0.00 23.12 20.42 1xck s ALA 46 CO 0.00 0.14 1.10 -2.14 0.00 0.00 0.00 175.76 174.86 1xck s PRO 47 N -3.38 0.93 -0.19 0.00 0.02 -1.26 -4.63 135.00 126.49 1xck s PRO 47 Ca 0.55 1.13 -0.11 0.00 0.02 0.00 0.00 61.00 62.60 1xck s PRO 47 Cb -0.10 -1.75 -0.05 0.00 0.02 0.00 0.00 34.50 32.62 1xck s PRO 47 CO 0.22 -2.56 0.16 0.99 -0.33 0.00 0.00 177.00 175.48 1xck s THR 48 N -2.74 5.40 -0.17 0.99 2.01 0.91 -4.92 115.64 117.11 1xck s THR 48 Ca 0.65 0.26 -0.06 0.00 0.31 0.00 0.00 61.69 62.85 1xck s THR 48 Cb -0.21 -3.50 -0.03 0.00 0.01 0.00 0.00 72.50 68.77 1xck s THR 48 CO 0.59 0.44 0.01 -0.63 -0.69 0.00 0.00 174.62 174.34 1xck s ILE 49 N 0.29 4.30 0.12 1.82 1.01 -1.26 0.49 121.20 127.98 1xck s ILE 49 Ca 0.10 -0.21 -0.09 0.00 0.00 0.00 0.00 60.65 60.45 1xck s ILE 49 Cb -0.11 -2.92 -0.00 0.00 0.01 0.00 0.00 42.46 39.43 1xck s ILE 49 CO -0.01 0.47 0.24 0.28 0.00 0.00 0.00 174.94 175.92 1xck s THR 50 N 0.46 0.11 0.00 2.92 -1.32 -0.14 -4.95 115.64 112.71 1xck s THR 50 Ca -0.00 -1.24 0.00 0.00 -1.21 0.00 0.00 61.69 59.23 1xck s THR 50 Cb -0.13 -1.55 0.00 0.00 -1.51 0.00 0.00 72.50 69.30 1xck s THR 50 CO 0.02 -0.48 0.88 0.29 -2.21 0.00 0.00 174.62 173.12 1xck n LYS 51 N -0.14 2.26 -2.99 7.08 5.02 -1.26 -0.19 118.16 127.95 1xck n LYS 51 Ca -0.12 -1.28 -0.43 0.00 -2.02 0.00 0.00 58.31 54.47 1xck n LYS 51 Cb 0.63 -0.93 -0.06 0.00 -0.02 0.00 0.00 35.03 34.65 1xck n LYS 51 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 1xck s ASP 52 N -0.78 6.37 0.55 4.39 2.15 -1.26 -4.78 116.67 123.30 1xck s ASP 52 Ca 0.00 -0.25 0.23 0.00 0.43 0.00 0.00 52.55 52.96 1xck s ASP 52 Cb 0.00 -2.37 1.45 0.00 -0.30 0.00 0.00 42.92 41.70 1xck s ASP 52 CO 0.00 -0.93 2.11 1.23 -0.17 0.00 0.00 175.17 177.41 1xck h GLY 53 N 10.12 0.00 1.28 2.66 0.00 -1.94 -1.61 103.07 113.58 1xck h GLY 53 Ca -0.25 0.00 -0.17 0.00 0.00 0.00 0.00 47.33 46.90 1xck h GLY 53 CO 0.96 0.00 -0.53 -2.08 0.00 0.00 0.00 176.54 174.89 1xck h VAL 54 N 0.00 1.29 -0.36 4.60 2.07 -1.96 -0.33 116.25 121.56 1xck h VAL 54 Ca 0.09 -1.73 -0.05 0.00 0.82 0.00 0.00 66.70 65.83 1xck h VAL 54 Cb 0.38 1.65 -0.01 0.00 -1.52 0.00 0.00 31.29 31.79 1xck h VAL 54 CO -0.00 0.56 0.03 0.28 0.02 0.00 0.00 177.57 178.46 1xck h SER 55 N 0.59 0.59 0.53 0.57 0.02 -1.74 -2.23 113.55 111.87 1xck h SER 55 Ca 0.02 -0.28 -0.03 0.00 -0.84 0.00 0.00 61.79 60.66 1xck h SER 55 Cb 1.11 -0.16 0.01 0.00 0.14 0.00 0.00 62.40 63.50 1xck h SER 55 CO 0.11 0.72 -0.25 0.58 -1.14 0.00 0.00 176.83 176.85 1xck h VAL 56 N 0.43 0.48 -0.98 2.27 2.07 -1.31 -2.88 116.25 116.33 1xck h VAL 56 Ca 0.11 -0.08 0.20 0.00 0.82 0.00 0.00 66.70 67.74 1xck h VAL 56 Cb 0.40 0.51 -0.11 0.00 -1.52 0.00 0.00 31.29 30.57 1xck h VAL 56 CO 0.01 0.01 0.57 0.00 0.02 0.00 0.00 177.57 178.19 1xck h ALA 57 N -0.30 1.62 -0.96 1.67 0.00 -1.03 -0.14 119.26 120.13 1xck h ALA 57 Ca -0.07 0.10 0.13 0.00 0.00 0.00 0.00 54.91 55.06 1xck h ALA 57 Cb 0.56 -0.04 -0.08 0.00 0.00 0.00 0.00 17.79 18.24 1xck h ALA 57 CO 0.12 -0.12 0.61 -0.09 0.00 0.00 0.00 179.25 179.77 1xck h ARG 58 N 0.68 0.87 0.00 0.00 2.43 -1.18 -1.96 114.38 115.22 1xck h ARG 58 Ca 0.58 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.69 1xck h ARG 58 Cb 0.94 -0.20 0.00 0.00 -0.42 0.00 0.00 29.97 30.30 1xck h ARG 58 CO -0.41 0.58 0.00 0.93 -1.51 0.00 0.00 179.97 179.56 1xck h GLU 59 N 0.90 0.00 -6.23 0.20 4.39 -0.94 -3.46 114.58 109.44 1xck h GLU 59 Ca 0.48 0.00 -0.56 0.00 0.34 0.00 0.00 59.36 59.62 1xck h GLU 59 Cb 0.55 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 29.17 1xck h GLU 59 CO -0.24 0.00 0.87 0.42 -1.16 0.00 0.00 179.01 178.90 1xck s ILE 60 N -3.24 4.11 -0.23 3.13 -1.09 -0.74 -4.98 121.20 118.16 1xck s ILE 60 Ca 0.07 1.39 -0.10 0.00 -2.23 0.00 0.00 60.65 59.79 1xck s ILE 60 Cb 0.09 -3.90 0.09 0.00 -1.58 0.00 0.00 42.46 37.16 1xck s ILE 60 CO 0.59 -0.08 0.52 -0.70 -1.23 0.00 0.00 174.94 174.04 1xck s GLU 61 N 3.13 0.47 0.07 2.79 2.12 -1.26 -4.92 118.70 121.11 1xck s GLU 61 Ca 0.58 1.11 -0.00 0.00 0.36 0.00 0.00 54.97 57.02 1xck s GLU 61 Cb -0.25 0.34 -0.04 0.00 0.26 0.00 0.00 34.13 34.44 1xck s GLU 61 CO 0.20 -0.20 0.23 -0.51 -0.54 0.00 0.00 175.26 174.44 1xck s LEU 62 N 2.20 4.35 0.11 2.70 1.43 -1.26 -5.03 118.68 123.18 1xck s LEU 62 Ca -0.06 0.29 -0.14 0.00 -1.03 0.00 0.00 54.13 53.19 1xck s LEU 62 Cb -0.10 -2.99 -0.06 0.00 0.03 0.00 0.00 46.19 43.08 1xck s LEU 62 CO -0.16 0.15 1.48 -0.08 0.23 0.00 0.00 176.35 177.97 1xck h GLU 63 N 2.99 0.74 -6.24 1.70 4.81 -2.01 -3.42 114.58 113.15 1xck h GLU 63 Ca -0.45 -0.34 -0.55 0.00 -0.13 0.00 0.00 59.36 57.89 1xck h GLU 63 Cb 1.16 -0.02 -0.02 0.00 0.63 0.00 0.00 28.75 30.51 1xck h GLU 63 CO 0.75 0.95 1.07 0.34 -0.73 0.00 0.00 179.01 181.39 1xck s ASP 64 N -6.47 6.65 0.28 1.04 -1.08 -1.26 -4.90 116.67 110.94 1xck s ASP 64 Ca -0.12 2.04 0.02 0.00 -0.52 0.00 0.00 52.55 53.97 1xck s ASP 64 Cb 0.09 -2.53 0.59 0.00 -1.46 0.00 0.00 42.92 39.61 1xck s ASP 64 CO 0.82 -0.96 1.80 0.11 0.52 0.00 0.00 175.17 177.46 1xck h LYS 65 N 9.57 0.80 -0.10 4.34 1.79 -1.94 -0.21 116.57 130.83 1xck h LYS 65 Ca -0.36 -0.05 -0.04 0.00 -2.18 0.00 0.00 60.65 58.02 1xck h LYS 65 Cb 1.16 -0.18 -0.00 0.00 -1.58 0.00 0.00 32.23 31.63 1xck h LYS 65 CO 0.96 0.53 -0.09 0.74 -1.08 0.00 0.00 179.45 180.52 1xck h PHE 66 N 0.83 0.28 -0.99 -1.35 0.04 -1.94 -2.11 116.94 111.69 1xck h PHE 66 Ca 0.51 -0.08 0.01 0.00 2.80 0.00 0.00 57.97 61.20 1xck h PHE 66 Cb 0.64 -0.06 -0.05 0.00 2.20 0.00 0.00 35.95 38.68 1xck h PHE 66 CO -0.03 0.65 0.65 0.93 -0.60 0.00 0.00 178.31 179.92 1xck h GLU 67 N -0.18 1.31 -0.71 1.51 5.08 -1.60 -2.39 114.58 117.60 1xck h GLU 67 Ca 0.02 -0.08 -0.00 0.00 -1.00 0.00 0.00 59.36 58.29 1xck h GLU 67 Cb 0.60 -0.29 -0.03 0.00 0.50 0.00 0.00 28.75 29.53 1xck h GLU 67 CO 0.02 0.87 0.43 -0.97 -1.00 0.00 0.00 179.01 178.36 1xck h ASN 68 N 1.35 0.85 -0.95 1.42 -1.24 -0.97 -1.67 115.58 114.37 1xck h ASN 68 Ca 0.36 -0.06 0.03 0.00 0.71 0.00 0.00 56.30 57.34 1xck h ASN 68 Cb -0.15 -0.22 -0.05 0.00 0.73 0.00 0.00 38.32 38.63 1xck h ASN 68 CO -0.08 0.66 0.62 0.24 -1.29 0.00 0.00 177.43 177.59 1xck h MET 69 N 0.97 1.18 0.16 6.67 2.86 -0.89 0.37 114.93 126.25 1xck h MET 69 Ca 0.25 -0.07 -0.01 0.00 -2.06 0.00 0.00 59.70 57.82 1xck h MET 69 Cb -0.03 -0.27 0.00 0.00 0.06 0.00 0.00 31.60 31.37 1xck h MET 69 CO -0.05 0.78 -0.08 0.78 1.06 0.00 0.00 176.91 179.40 1xck h GLY 70 N 1.21 -0.23 1.00 8.32 0.00 -0.96 -0.28 103.07 112.12 1xck h GLY 70 Ca 0.37 0.09 0.00 0.00 0.00 0.00 0.00 47.33 47.79 1xck h GLY 70 CO -0.11 -0.08 0.04 0.00 0.00 0.00 0.00 176.54 176.39 1xck h ALA 71 N 0.55 0.07 -0.64 3.60 0.00 -0.74 -2.73 119.26 119.37 1xck h ALA 71 Ca -0.02 -0.00 0.05 0.00 0.00 0.00 0.00 54.91 54.93 1xck h ALA 71 Cb 0.22 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 17.95 1xck h ALA 71 CO 0.04 -0.43 0.42 1.96 0.00 0.00 0.00 179.25 181.24 1xck h GLN 72 N 0.08 0.67 0.29 0.00 1.08 -0.14 -0.59 115.11 116.50 1xck h GLN 72 Ca 0.02 -0.04 -0.01 0.00 -1.45 0.00 0.00 58.65 57.17 1xck h GLN 72 Cb -0.01 -0.15 0.00 0.00 -0.05 0.00 0.00 27.48 27.27 1xck h GLN 72 CO -0.00 0.44 -0.14 0.52 -0.95 0.00 0.00 178.83 178.70 1xck h MET 73 N 0.69 -0.38 -0.03 1.46 2.86 -0.74 -0.64 114.93 118.16 1xck h MET 73 Ca 0.27 0.03 -0.15 0.00 -2.06 0.00 0.00 59.70 57.78 1xck h MET 73 Cb 0.18 0.09 -0.02 0.00 0.06 0.00 0.00 31.60 31.91 1xck h MET 73 CO -0.08 -0.18 -0.67 -0.39 1.06 0.00 0.00 176.91 176.65 1xck h VAL 74 N -0.50 1.44 -0.70 -2.22 -1.51 -1.39 -2.85 116.25 108.53 1xck h VAL 74 Ca -0.04 -2.21 0.07 0.00 -1.23 0.00 0.00 66.70 63.29 1xck h VAL 74 Cb 0.37 2.18 -0.06 0.00 -2.13 0.00 0.00 31.29 31.65 1xck h VAL 74 CO 0.07 0.64 0.38 0.50 -1.23 0.00 0.00 177.57 177.92 1xck h LYS 75 N 0.08 0.66 0.73 5.19 3.64 -0.99 0.11 116.57 125.99 1xck h LYS 75 Ca -0.01 -0.04 -0.04 0.00 -1.27 0.00 0.00 60.65 59.29 1xck h LYS 75 Cb 1.20 -0.15 0.01 0.00 -0.41 0.00 0.00 32.23 32.88 1xck h LYS 75 CO 0.10 0.43 -0.35 1.49 -2.27 0.00 0.00 179.45 178.85 1xck h GLU 76 N 0.67 -0.94 0.00 1.90 4.81 -0.88 -2.68 114.58 117.46 1xck h GLU 76 Ca 0.33 0.06 -0.06 0.00 -0.13 0.00 0.00 59.36 59.56 1xck h GLU 76 Cb 0.26 0.21 -0.01 0.00 0.63 0.00 0.00 28.75 29.84 1xck h GLU 76 CO -0.21 -0.61 -0.27 -0.39 -0.73 0.00 0.00 179.01 176.79 1xck h VAL 77 N -1.22 1.12 -0.68 0.32 -1.51 -1.43 -2.39 116.25 110.46 1xck h VAL 77 Ca -0.10 -0.96 -0.07 0.00 -1.23 0.00 0.00 66.70 64.34 1xck h VAL 77 Cb 0.76 1.53 -0.03 0.00 -2.13 0.00 0.00 31.29 31.42 1xck h VAL 77 CO 0.16 0.27 0.16 0.00 -1.23 0.00 0.00 177.57 176.93 1xck h ALA 78 N 1.73 1.00 -0.55 5.19 0.00 -0.80 -2.43 119.26 123.40 1xck h ALA 78 Ca -0.00 -0.24 -0.02 0.00 0.00 0.00 0.00 54.91 54.65 1xck h ALA 78 Cb 0.51 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 18.01 1xck h ALA 78 CO 0.04 0.65 0.27 0.66 0.00 0.00 0.00 179.25 180.86 1xck h SER 79 N 1.03 0.69 -0.49 0.00 4.64 -1.07 -1.34 113.55 117.00 1xck h SER 79 Ca 0.21 -0.06 0.14 0.00 -0.47 0.00 0.00 61.79 61.61 1xck h SER 79 Cb 0.36 -0.17 -0.02 0.00 -0.31 0.00 0.00 62.40 62.26 1xck h SER 79 CO 0.00 0.58 0.37 0.11 -0.87 0.00 0.00 176.83 177.03 1xck h LYS 80 N 0.77 0.00 -0.19 4.77 1.57 -1.32 0.58 116.57 122.76 1xck h LYS 80 Ca 0.19 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.95 1xck h LYS 80 Cb 0.08 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.38 1xck h LYS 80 CO -0.03 0.00 0.04 0.00 -0.57 0.00 0.00 179.45 178.89 1xck h ALA 81 N 1.72 0.25 -0.80 3.86 0.00 -1.25 -1.36 119.26 121.67 1xck h ALA 81 Ca 0.23 -0.16 -0.04 0.00 0.00 0.00 0.00 54.91 54.94 1xck h ALA 81 Cb 0.97 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.65 1xck h ALA 81 CO -0.00 -0.10 0.32 -0.97 0.00 0.00 0.00 179.25 178.50 1xck h ASN 82 N 0.11 1.09 -0.90 0.00 -1.24 -0.99 -1.02 115.58 112.63 1xck h ASN 82 Ca 0.06 -0.17 -0.02 0.00 0.71 0.00 0.00 56.30 56.88 1xck h ASN 82 Cb 0.28 -0.28 -0.04 0.00 0.73 0.00 0.00 38.32 39.01 1xck h ASN 82 CO 0.00 0.96 0.49 0.44 -1.29 0.00 0.00 177.43 178.03 1xck h ASP 83 N 1.15 1.13 0.22 1.15 3.32 -1.01 0.71 116.42 123.09 1xck h ASP 83 Ca 0.27 -0.10 -0.26 0.00 0.02 0.00 0.00 57.03 56.96 1xck h ASP 83 Cb 0.21 -0.29 0.01 0.00 0.22 0.00 0.00 39.33 39.48 1xck h ASP 83 CO -0.02 0.90 -1.07 0.00 -1.72 0.00 0.00 179.24 177.33 1xck h ALA 84 N 1.28 0.19 0.00 3.45 0.00 -0.80 -3.39 119.26 119.98 1xck h ALA 84 Ca 0.32 -0.74 0.00 0.00 0.00 0.00 0.00 54.91 54.49 1xck h ALA 84 Cb 0.03 0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.86 1xck h ALA 84 CO -0.05 0.76 0.00 0.00 0.00 0.00 0.00 179.25 179.96 1xck n ALA 85 N -2.60 1.80 -0.98 0.00 0.00 -0.43 -5.00 120.51 113.29 1xck n ALA 85 Ca -0.10 -0.53 0.00 0.00 0.00 0.00 0.00 53.44 52.82 1xck n ALA 85 Cb 0.90 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.35 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 -0.12 0.44 3.63 0.00 0.00 0.25 -4.64 105.19 104.75 1xck n GLY 86 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.99 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 -2.11 -0.16 0.00 1.61 2.15 -1.24 -4.97 116.67 111.96 1xck s ASP 87 Ca 0.00 -0.15 0.00 0.00 0.43 0.00 0.00 52.55 52.83 1xck s ASP 87 Cb 0.00 0.27 0.00 0.00 -0.30 0.00 0.00 42.92 42.89 1xck s ASP 87 CO 0.00 -0.48 0.00 0.61 -0.17 0.00 0.00 175.17 175.13 1xck n GLY 88 N -0.35 0.81 0.23 2.66 0.00 -1.26 -3.98 105.19 103.30 1xck n GLY 88 Ca -0.06 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.86 1xck n GLY 88 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1xck h THR 89 N 0.00 1.27 -0.26 2.61 2.02 -1.89 -0.13 112.91 116.53 1xck h THR 89 Ca 0.00 -1.11 -0.06 0.00 0.77 0.00 0.00 66.41 66.01 1xck h THR 89 Cb 0.00 1.14 -0.01 0.00 -1.74 0.00 0.00 68.15 67.54 1xck h THR 89 CO 0.00 0.38 -0.06 0.74 0.37 0.00 0.00 175.52 176.94 1xck h THR 90 N 0.60 1.28 -0.13 3.16 2.02 -1.91 -1.95 112.91 115.99 1xck h THR 90 Ca 0.11 -1.08 0.04 0.00 0.77 0.00 0.00 66.41 66.25 1xck h THR 90 Cb 0.55 1.45 -0.04 0.00 -1.74 0.00 0.00 68.15 68.37 1xck h THR 90 CO 0.03 0.34 -0.11 0.74 0.37 0.00 0.00 175.52 176.89 1xck h THR 91 N 0.26 0.69 -0.97 3.16 2.02 -1.95 -0.53 112.91 115.59 1xck h THR 91 Ca 0.07 0.00 0.13 0.00 0.77 0.00 0.00 66.41 67.38 1xck h THR 91 Cb 0.54 0.69 -0.08 0.00 -1.74 0.00 0.00 68.15 67.55 1xck h THR 91 CO 0.03 0.00 0.61 0.00 0.37 0.00 0.00 175.52 176.53 1xck h ALA 92 N 0.98 1.63 -0.08 6.16 0.00 -0.95 0.13 119.26 127.13 1xck h ALA 92 Ca 0.09 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 1xck h ALA 92 Cb 0.25 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 17.86 1xck h ALA 92 CO -0.21 0.12 0.00 1.15 0.00 0.00 0.00 179.25 180.31 1xck h THR 93 N 0.89 1.25 -0.05 0.00 2.02 -0.36 0.10 112.91 116.76 1xck h THR 93 Ca 0.49 -0.78 -0.07 0.00 0.77 0.00 0.00 66.41 66.82 1xck h THR 93 Cb 0.59 1.61 -0.01 0.00 -1.74 0.00 0.00 68.15 68.61 1xck h THR 93 CO -0.26 0.22 -0.32 -0.37 0.37 0.00 0.00 175.52 175.16 1xck h VAL 94 N -0.14 1.25 -0.10 3.16 -1.51 -0.56 -1.14 116.25 117.20 1xck h VAL 94 Ca 0.02 -1.17 -0.01 0.00 -1.23 0.00 0.00 66.70 64.31 1xck h VAL 94 Cb 0.34 1.57 -0.00 0.00 -2.13 0.00 0.00 31.29 31.06 1xck h VAL 94 CO 0.00 0.34 0.01 -0.07 -1.23 0.00 0.00 177.57 176.62 1xck h LEU 95 N 0.08 0.16 -0.87 4.19 3.38 -0.78 -1.67 115.31 119.80 1xck h LEU 95 Ca 0.01 -0.29 0.04 0.00 0.09 0.00 0.00 57.88 57.72 1xck h LEU 95 Cb 0.60 -0.04 -0.05 0.00 0.09 0.00 0.00 40.66 41.26 1xck h LEU 95 CO 0.04 0.42 0.56 0.00 0.09 0.00 0.00 178.44 179.55 1xck h ALA 96 N 0.75 1.15 -0.49 1.53 0.00 -0.44 -0.92 119.26 120.84 1xck h ALA 96 Ca 0.03 -0.04 0.01 0.00 0.00 0.00 0.00 54.91 54.91 1xck h ALA 96 Cb 0.33 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 1xck h ALA 96 CO 0.00 0.40 0.32 0.37 0.00 0.00 0.00 179.25 180.35 1xck h GLN 97 N 1.09 0.64 0.18 0.00 4.15 -0.99 0.13 115.11 120.31 1xck h GLN 97 Ca 0.35 -0.04 -0.01 0.00 0.77 0.00 0.00 58.65 59.72 1xck h GLN 97 Cb 0.02 -0.15 0.00 0.00 0.21 0.00 0.00 27.48 27.56 1xck h GLN 97 CO -0.12 0.43 -0.09 0.00 -1.93 0.00 0.00 178.83 177.12 1xck h ALA 98 N 1.18 -0.24 0.05 3.38 0.00 -0.64 -0.37 119.26 122.62 1xck h ALA 98 Ca 0.18 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 55.02 1xck h ALA 98 Cb -0.07 0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.81 1xck h ALA 98 CO -0.04 -0.62 -0.03 0.82 0.00 0.00 0.00 179.25 179.38 1xck h ILE 99 N -0.27 0.97 -0.70 0.00 2.04 -0.96 -2.53 117.51 116.07 1xck h ILE 99 Ca -0.02 -0.09 0.06 0.00 1.00 0.00 0.00 64.86 65.81 1xck h ILE 99 Cb 0.21 1.03 -0.06 0.00 -0.74 0.00 0.00 36.82 37.26 1xck h ILE 99 CO 0.04 0.02 0.39 0.40 0.00 0.00 0.00 178.15 179.01 1xck h ILE 100 N -0.11 0.97 0.48 -0.67 2.04 -0.65 0.97 117.51 120.54 1xck h ILE 100 Ca -0.01 -0.25 -0.02 0.00 1.00 0.00 0.00 64.86 65.58 1xck h ILE 100 Cb 0.09 0.19 0.00 0.00 -0.74 0.00 0.00 36.82 36.36 1xck h ILE 100 CO 0.01 0.13 -0.23 0.74 0.00 0.00 0.00 178.15 178.80 1xck h THR 101 N 0.72 0.52 -0.40 -0.27 2.02 -0.91 -0.89 112.91 113.71 1xck h THR 101 Ca 0.31 -0.07 -0.11 0.00 0.77 0.00 0.00 66.41 67.32 1xck h THR 101 Cb 0.19 0.56 -0.02 0.00 -1.74 0.00 0.00 68.15 67.15 1xck h THR 101 CO -0.19 0.01 -0.18 -0.33 0.37 0.00 0.00 175.52 175.21 1xck h GLU 102 N -0.69 0.77 -0.56 6.66 4.39 -1.35 -2.33 114.58 121.47 1xck h GLU 102 Ca -0.07 -0.29 -0.01 0.00 0.34 0.00 0.00 59.36 59.33 1xck h GLU 102 Cb 0.52 -0.05 -0.03 0.00 -0.10 0.00 0.00 28.75 29.09 1xck h GLU 102 CO 0.11 0.89 0.30 0.78 -1.16 0.00 0.00 179.01 179.93 1xck h GLY 103 N 0.97 0.84 1.66 -3.84 0.00 -0.74 -1.88 103.07 100.08 1xck h GLY 103 Ca 0.10 -0.38 -0.08 0.00 0.00 0.00 0.00 47.33 46.97 1xck h GLY 103 CO 0.05 0.37 -0.22 1.41 0.00 0.00 0.00 176.54 178.15 1xck h LEU 104 N 0.75 0.40 -0.11 3.11 3.38 -1.05 -0.56 115.31 121.24 1xck h LEU 104 Ca 0.20 -0.12 0.02 0.00 0.09 0.00 0.00 57.88 58.06 1xck h LEU 104 Cb 0.06 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 40.68 1xck h LEU 104 CO -0.03 0.63 0.01 0.11 0.09 0.00 0.00 178.44 179.25 1xck h LYS 105 N 0.36 0.05 -0.51 1.13 1.57 -0.95 -0.24 116.57 117.98 1xck h LYS 105 Ca 0.06 -0.00 0.02 0.00 -1.87 0.00 0.00 60.65 58.86 1xck h LYS 105 Cb 0.59 -0.01 -0.03 0.00 0.08 0.00 0.00 32.23 32.86 1xck h LYS 105 CO 0.04 0.03 0.31 0.00 -0.57 0.00 0.00 179.45 179.26 1xck h ALA 106 N 1.09 0.65 -0.88 3.86 0.00 -0.88 -0.30 119.26 122.80 1xck h ALA 106 Ca 0.05 -0.01 0.03 0.00 0.00 0.00 0.00 54.91 54.97 1xck h ALA 106 Cb 0.05 -0.16 -0.05 0.00 0.00 0.00 0.00 17.79 17.64 1xck h ALA 106 CO -0.08 0.02 0.57 0.28 0.00 0.00 0.00 179.25 180.04 1xck h VAL 107 N 0.62 1.16 -0.13 0.00 2.07 -0.67 -1.08 116.25 118.22 1xck h VAL 107 Ca 0.20 -0.39 -0.09 0.00 0.82 0.00 0.00 66.70 67.24 1xck h VAL 107 Cb 0.00 -0.06 -0.01 0.00 -1.52 0.00 0.00 31.29 29.70 1xck h VAL 107 CO -0.08 0.21 -0.34 0.00 0.02 0.00 0.00 177.57 177.37 1xck h ALA 108 N 1.36 1.19 0.00 1.67 0.00 -0.47 -0.84 119.26 122.17 1xck h ALA 108 Ca 0.35 -0.36 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1xck h ALA 108 Cb -0.02 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.68 1xck h ALA 108 CO -0.11 0.54 0.00 0.00 0.00 0.00 0.00 179.25 179.68 1xck n ALA 109 N -2.48 2.12 -0.33 0.00 0.00 -0.17 -4.83 120.51 114.82 1xck n ALA 109 Ca -0.01 -0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.32 1xck n ALA 109 Cb 0.43 -1.30 0.00 0.00 0.00 0.00 0.00 19.45 18.58 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 0.17 0.83 3.83 0.00 0.00 -0.32 -5.07 105.19 104.64 1xck n GLY 110 Ca 0.12 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.82 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 -0.67 4.09 -0.12 1.61 1.00 -0.61 -4.98 119.30 119.62 1xck s MET 111 Ca 0.00 1.03 -0.29 0.00 0.00 0.00 0.00 55.69 56.43 1xck s MET 111 Cb 0.00 -2.17 -0.04 0.00 0.00 0.00 0.00 34.83 32.63 1xck s MET 111 CO 0.00 -0.14 1.53 1.21 0.00 0.00 0.00 175.02 177.62 1xck s ASN 112 N -2.60 6.69 0.17 3.03 3.84 -1.26 -4.39 114.94 120.42 1xck s ASN 112 Ca 0.60 1.95 -0.17 0.00 0.21 0.00 0.00 52.86 55.45 1xck s ASN 112 Cb -0.09 -2.53 0.10 0.00 -0.55 0.00 0.00 41.25 38.17 1xck s ASN 112 CO 0.22 -0.94 1.67 -0.65 -2.79 0.00 0.00 177.10 174.61 1xck h PRO 113 N 9.38 0.02 -0.88 0.43 0.11 -1.94 -0.72 132.00 138.40 1xck h PRO 113 Ca -0.34 -0.00 0.01 0.00 0.11 0.00 0.00 66.00 65.77 1xck h PRO 113 Cb 1.15 -0.01 -0.04 0.00 0.11 0.00 0.00 31.00 32.21 1xck h PRO 113 CO 0.97 0.02 0.58 0.52 -0.21 0.00 0.00 178.00 179.87 1xck h MET 114 N 0.02 1.16 -0.30 1.05 2.86 -1.91 -1.05 114.93 116.76 1xck h MET 114 Ca 0.19 -0.07 -0.17 0.00 -2.06 0.00 0.00 59.70 57.60 1xck h MET 114 Cb 0.29 -0.26 -0.00 0.00 0.06 0.00 0.00 31.60 31.69 1xck h MET 114 CO -0.39 0.77 -0.47 -0.44 1.06 0.00 0.00 176.91 177.44 1xck h ASP 115 N 1.19 0.88 -0.94 1.22 3.32 -1.72 -1.67 116.42 118.71 1xck h ASP 115 Ca 0.32 -0.44 -0.00 0.00 0.02 0.00 0.00 57.03 56.93 1xck h ASP 115 Cb -0.13 -0.25 -0.05 0.00 0.22 0.00 0.00 39.33 39.12 1xck h ASP 115 CO -0.07 1.21 0.57 -0.07 -1.72 0.00 0.00 179.24 179.16 1xck h LEU 116 N 0.64 1.12 -0.15 1.55 3.38 -0.69 -0.43 115.31 120.74 1xck h LEU 116 Ca 0.03 -0.06 -0.02 0.00 0.09 0.00 0.00 57.88 57.92 1xck h LEU 116 Cb 1.05 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 41.51 1xck h LEU 116 CO 0.10 0.86 0.01 0.50 0.09 0.00 0.00 178.44 180.00 1xck h LYS 117 N 1.29 0.26 -0.78 1.13 3.64 -1.02 -1.38 116.57 119.71 1xck h LYS 117 Ca 0.34 -0.08 0.02 0.00 -1.27 0.00 0.00 60.65 59.66 1xck h LYS 117 Cb -0.07 -0.03 -0.04 0.00 -0.41 0.00 0.00 32.23 31.69 1xck h LYS 117 CO -0.06 0.47 0.52 -0.09 -2.27 0.00 0.00 179.45 178.01 1xck h ARG 118 N 0.01 0.98 -0.40 1.90 2.43 -0.88 0.38 114.38 118.79 1xck h ARG 118 Ca 0.04 -0.06 -0.09 0.00 -0.81 0.00 0.00 59.98 59.07 1xck h ARG 118 Cb 0.35 -0.22 -0.01 0.00 -0.42 0.00 0.00 29.97 29.67 1xck h ARG 118 CO 0.01 0.65 -0.09 0.78 -1.51 0.00 0.00 179.97 179.80 1xck h GLY 119 N 1.01 0.84 0.98 2.80 0.00 -0.94 -0.63 103.07 107.13 1xck h GLY 119 Ca 0.30 -0.69 -0.00 0.00 0.00 0.00 0.00 47.33 46.94 1xck h GLY 119 CO -0.08 0.63 0.22 -2.22 0.00 0.00 0.00 176.54 175.10 1xck h ILE 120 N 0.59 1.13 -0.71 2.60 2.04 -0.61 -1.23 117.51 121.33 1xck h ILE 120 Ca 0.10 -0.30 -0.01 0.00 1.00 0.00 0.00 64.86 65.65 1xck h ILE 120 Cb 0.62 0.65 -0.03 0.00 -0.74 0.00 0.00 36.82 37.31 1xck h ILE 120 CO 0.04 0.13 0.39 0.44 0.00 0.00 0.00 178.15 179.15 1xck h ASP 121 N 0.49 0.88 -0.02 1.72 3.32 -0.84 -0.50 116.42 121.47 1xck h ASP 121 Ca 0.13 -0.09 0.00 0.00 0.02 0.00 0.00 57.03 57.09 1xck h ASP 121 Cb 0.01 -0.22 -0.00 0.00 0.22 0.00 0.00 39.33 39.34 1xck h ASP 121 CO -0.02 0.72 0.01 0.50 -1.72 0.00 0.00 179.24 178.73 1xck h LYS 122 N 0.97 0.03 -0.44 3.56 3.64 -0.77 -0.06 116.57 123.50 1xck h LYS 122 Ca 0.25 -0.00 0.08 0.00 -1.27 0.00 0.00 60.65 59.70 1xck h LYS 122 Cb 0.03 -0.01 -0.06 0.00 -0.41 0.00 0.00 32.23 31.78 1xck h LYS 122 CO -0.04 0.05 0.05 0.00 -2.27 0.00 0.00 179.45 177.24 1xck h ALA 123 N 0.98 0.45 -0.33 5.00 0.00 -0.91 -0.82 119.26 123.63 1xck h ALA 123 Ca 0.01 0.10 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 1xck h ALA 123 Cb 0.03 0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 1xck h ALA 123 CO -0.00 -0.35 0.19 0.28 0.00 0.00 0.00 179.25 179.37 1xck h VAL 124 N 0.17 1.13 -0.35 0.00 2.07 -0.77 0.35 116.25 118.85 1xck h VAL 124 Ca 0.22 -0.33 0.05 0.00 0.82 0.00 0.00 66.70 67.46 1xck h VAL 124 Cb 0.29 0.75 -0.05 0.00 -1.52 0.00 0.00 31.29 30.76 1xck h VAL 124 CO -0.31 0.13 0.07 0.74 0.02 0.00 0.00 177.57 178.22 1xck h THR 125 N 0.42 0.83 -0.69 2.57 2.02 -0.52 0.11 112.91 117.65 1xck h THR 125 Ca 0.12 -0.06 -0.02 0.00 0.77 0.00 0.00 66.41 67.22 1xck h THR 125 Cb 0.05 0.62 -0.03 0.00 -1.74 0.00 0.00 68.15 67.05 1xck h THR 125 CO -0.02 0.03 0.37 0.00 0.37 0.00 0.00 175.52 176.27 1xck h ALA 126 N 1.26 0.88 -0.73 6.16 0.00 -0.82 -2.56 119.26 123.46 1xck h ALA 126 Ca 0.16 -0.12 -0.02 0.00 0.00 0.00 0.00 54.91 54.94 1xck h ALA 126 Cb 0.18 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 17.67 1xck h ALA 126 CO -0.22 0.41 0.38 0.00 0.00 0.00 0.00 179.25 179.83 1xck h ALA 127 N 1.18 1.30 -0.41 0.00 0.00 0.75 -1.16 119.26 120.91 1xck h ALA 127 Ca 0.24 -0.12 -0.08 0.00 0.00 0.00 0.00 54.91 54.95 1xck h ALA 127 Cb 0.06 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.54 1xck h ALA 127 CO -0.04 0.56 -0.08 0.28 0.00 0.00 0.00 179.25 179.98 1xck h VAL 128 N 1.02 1.25 -0.17 0.00 2.07 -0.44 0.70 116.25 120.69 1xck h VAL 128 Ca 0.26 -1.08 -0.06 0.00 0.82 0.00 0.00 66.70 66.64 1xck h VAL 128 Cb 0.06 1.02 -0.00 0.00 -1.52 0.00 0.00 31.29 30.84 1xck h VAL 128 CO -0.04 0.37 -0.12 -0.33 0.02 0.00 0.00 177.57 177.47 1xck h GLU 129 N 0.65 0.38 -0.18 1.57 4.39 -1.11 -1.97 114.58 118.30 1xck h GLU 129 Ca 0.12 -0.18 0.05 0.00 0.34 0.00 0.00 59.36 59.69 1xck h GLU 129 Cb 0.52 -0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.16 1xck h GLU 129 CO 0.03 0.72 0.15 1.49 -1.16 0.00 0.00 179.01 180.23 1xck h GLU 130 N 0.04 0.00 -0.04 2.33 4.57 -0.91 -0.57 114.58 119.99 1xck h GLU 130 Ca 0.03 0.00 -0.20 0.00 -1.18 0.00 0.00 59.36 58.02 1xck h GLU 130 Cb 0.62 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 29.21 1xck h GLU 130 CO 0.03 0.00 -0.81 1.25 -1.18 0.00 0.00 179.01 178.30 1xck h LEU 131 N 0.00 0.45 -0.59 1.64 5.85 -0.39 -1.88 115.31 120.39 1xck h LEU 131 Ca 0.09 -0.33 -0.15 0.00 0.84 0.00 0.00 57.88 58.33 1xck h LEU 131 Cb 0.38 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 41.27 1xck h LEU 131 CO -0.00 1.09 -0.49 0.11 -0.34 0.00 0.00 178.44 178.81 1xck h LYS 132 N 0.23 0.54 -0.47 1.25 1.57 -0.38 -1.12 116.57 118.20 1xck h LYS 132 Ca -0.05 -0.31 -0.11 0.00 -1.87 0.00 0.00 60.65 58.32 1xck h LYS 132 Cb 1.41 0.02 -0.01 0.00 0.08 0.00 0.00 32.23 33.73 1xck h LYS 132 CO 0.14 0.91 -0.12 0.00 -0.57 0.00 0.00 179.45 179.81 1xck h ALA 133 N 1.04 0.65 -0.04 3.86 0.00 -1.37 -2.51 119.26 120.89 1xck h ALA 133 Ca 0.02 -0.34 -0.06 0.00 0.00 0.00 0.00 54.91 54.53 1xck h ALA 133 Cb 1.01 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.63 1xck h ALA 133 CO 0.09 0.55 -0.24 1.25 0.00 0.00 0.00 179.25 180.91 1xck h LEU 134 N 0.75 0.06 -9.84 0.00 7.12 -1.16 -3.45 115.31 108.80 1xck h LEU 134 Ca 0.12 -0.01 -0.56 0.00 0.13 0.00 0.00 57.88 57.56 1xck h LEU 134 Cb 0.67 -0.02 0.11 0.00 -0.53 0.00 0.00 40.66 40.89 1xck h LEU 134 CO 0.05 0.30 0.62 -0.24 -0.13 0.00 0.00 178.44 179.04 1xck n SER 135 N -4.23 3.16 -4.31 1.25 2.88 -0.44 -4.85 113.62 107.08 1xck n SER 135 Ca -0.02 1.20 -0.33 0.00 -1.33 0.00 0.00 58.87 58.39 1xck n SER 135 Cb 0.31 -1.54 -0.15 0.00 -0.75 0.00 0.00 64.21 62.08 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 -1.12 2.80 0.77 2.46 1.01 0.26 -4.93 120.40 121.65 1xck s VAL 136 Ca 0.55 -0.74 -0.15 0.00 0.00 0.00 0.00 61.98 61.65 1xck s VAL 136 Cb -0.52 -2.17 0.05 0.00 0.00 0.00 0.00 36.38 33.73 1xck s VAL 136 CO 0.62 0.52 1.17 -2.65 0.00 0.00 0.00 175.10 174.76 1xck n PRO 137 N 3.81 0.41 -3.41 2.72 -0.02 -1.26 -0.71 135.00 136.54 1xck n PRO 137 Ca -0.19 0.21 -0.27 0.00 -2.02 0.00 0.00 63.50 61.23 1xck n PRO 137 Cb 0.52 -2.41 -0.10 0.00 -0.02 0.00 0.00 33.50 31.49 1xck n PRO 137 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1xck n SER 139 N 3.14 1.13 -4.74 0.00 7.64 -1.26 -4.21 113.62 115.31 1xck n SER 139 Ca 0.26 0.17 -0.39 0.00 1.01 0.00 0.00 58.87 59.91 1xck n SER 139 Cb 0.45 -0.39 0.04 0.00 -1.01 0.00 0.00 64.21 63.30 1xck n SER 139 CO 0.00 0.00 0.00 -0.90 -3.01 0.00 0.00 175.04 171.13 1xck n ASP 140 N -3.65 2.76 0.04 6.43 5.75 -1.26 -4.75 116.55 121.86 1xck n ASP 140 Ca -0.07 1.00 0.04 0.00 -0.01 0.00 0.00 54.79 55.75 1xck n ASP 140 Cb 0.28 -1.58 0.20 0.00 -1.03 0.00 0.00 41.12 38.99 1xck n ASP 140 CO 0.00 0.00 0.00 -1.54 -0.11 0.00 0.00 177.20 175.55 1xck n SER 141 N -0.86 0.15 -0.08 -1.12 3.41 -1.26 -1.17 113.62 112.69 1xck n SER 141 Ca 0.10 0.56 -0.15 0.00 -0.26 0.00 0.00 58.87 59.12 1xck n SER 141 Cb 0.44 -0.59 -0.04 0.00 -0.26 0.00 0.00 64.21 63.76 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 0.88 -0.10 4.33 3.64 -2.00 -2.15 116.57 121.18 1xck h LYS 142 Ca 0.00 -0.56 -0.08 0.00 -1.27 0.00 0.00 60.65 58.75 1xck h LYS 142 Cb 0.06 0.06 0.00 0.00 -0.41 0.00 0.00 32.23 31.95 1xck h LYS 142 CO 0.00 1.19 -0.25 0.00 -2.27 0.00 0.00 179.45 178.12 1xck h ALA 143 N 0.68 0.16 -0.95 5.00 0.00 -1.49 -2.63 119.26 120.02 1xck h ALA 143 Ca 0.02 -0.40 0.17 0.00 0.00 0.00 0.00 54.91 54.70 1xck h ALA 143 Cb 1.14 -0.02 -0.08 0.00 0.00 0.00 0.00 17.79 18.83 1xck h ALA 143 CO 0.12 0.15 0.60 0.82 0.00 0.00 0.00 179.25 180.94 1xck h ILE 144 N -0.11 0.76 -0.14 0.00 2.04 -1.39 -0.17 117.51 118.50 1xck h ILE 144 Ca -0.00 -0.24 -0.03 0.00 1.00 0.00 0.00 64.86 65.58 1xck h ILE 144 Cb 0.86 0.01 -0.00 0.00 -0.74 0.00 0.00 36.82 36.94 1xck h ILE 144 CO 0.05 0.13 -0.05 0.00 0.00 0.00 0.00 178.15 178.28 1xck h ALA 145 N 1.61 0.19 -0.41 1.87 0.00 -1.30 -1.63 119.26 119.58 1xck h ALA 145 Ca 0.51 -0.25 0.03 0.00 0.00 0.00 0.00 54.91 55.20 1xck h ALA 145 Cb 0.87 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.58 1xck h ALA 145 CO -0.27 -0.04 0.22 1.96 0.00 0.00 0.00 179.25 181.12 1xck h GLN 146 N -0.05 0.44 0.14 0.00 4.20 -0.80 0.32 115.11 119.36 1xck h GLN 146 Ca 0.03 -0.03 -0.01 0.00 0.06 0.00 0.00 58.65 58.71 1xck h GLN 146 Cb 0.50 -0.10 0.00 0.00 0.30 0.00 0.00 27.48 28.18 1xck h GLN 146 CO 0.02 0.29 -0.07 0.28 -0.67 0.00 0.00 178.83 178.68 1xck h VAL 147 N 0.45 0.90 -0.95 -0.54 2.07 -1.10 -0.07 116.25 117.01 1xck h VAL 147 Ca 0.17 -0.14 0.09 0.00 0.82 0.00 0.00 66.70 67.64 1xck h VAL 147 Cb 0.05 0.98 -0.07 0.00 -1.52 0.00 0.00 31.29 30.73 1xck h VAL 147 CO -0.10 0.03 0.59 1.23 0.02 0.00 0.00 177.57 179.34 1xck h GLY 148 N -0.25 1.49 1.05 2.17 0.00 -0.92 -0.07 103.07 106.54 1xck h GLY 148 Ca -0.02 -0.41 -0.08 0.00 0.00 0.00 0.00 47.33 46.82 1xck h GLY 148 CO 0.03 0.22 0.07 -0.84 0.00 0.00 0.00 176.54 176.02 1xck h THR 149 N 1.00 1.26 -0.29 4.70 2.02 0.07 0.37 112.91 122.04 1xck h THR 149 Ca 0.44 -1.04 -0.13 0.00 0.77 0.00 0.00 66.41 66.45 1xck h THR 149 Cb 0.33 0.75 -0.01 0.00 -1.74 0.00 0.00 68.15 67.48 1xck h THR 149 CO -0.22 0.38 -0.34 0.40 0.37 0.00 0.00 175.52 176.11 1xck h ILE 150 N 0.93 1.29 0.00 3.11 2.04 -0.25 0.53 117.51 125.15 1xck h ILE 150 Ca 0.18 -1.48 -0.14 0.00 1.00 0.00 0.00 64.86 64.43 1xck h ILE 150 Cb 0.46 1.42 -0.02 0.00 -0.74 0.00 0.00 36.82 37.95 1xck h ILE 150 CO 0.02 0.48 -0.65 0.28 0.00 0.00 0.00 178.15 178.27 1xck h SER 151 N 0.55 0.00 -0.10 1.72 0.02 -0.86 -2.76 113.55 112.12 1xck h SER 151 Ca 0.06 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.01 1xck h SER 151 Cb 0.84 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.38 1xck h SER 151 CO 0.07 0.65 0.00 0.00 -1.14 0.00 0.00 176.83 176.41 1xck n ALA 152 N -2.39 2.50 -2.78 3.77 0.00 0.10 -4.48 120.51 117.23 1xck n ALA 152 Ca -0.01 -0.18 -0.07 0.00 0.00 0.00 0.00 53.44 53.18 1xck n ALA 152 Cb 0.66 -0.99 0.03 0.00 0.00 0.00 0.00 19.45 19.14 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 -0.19 -3.17 -0.48 0.00 5.15 -1.04 -3.68 115.26 111.85 1xck n ASN 153 Ca 0.03 -0.17 -0.06 0.00 -0.60 0.00 0.00 54.58 53.78 1xck n ASN 153 Cb 0.10 -1.93 -0.02 0.00 -0.53 0.00 0.00 39.78 37.41 1xck n ASN 153 CO 0.00 0.00 0.00 -1.20 1.40 0.00 0.00 177.26 177.46 1xck n SER 154 N -0.19 -3.40 -4.41 1.20 7.64 0.18 -5.00 113.62 109.65 1xck n SER 154 Ca -0.01 0.11 -0.44 0.00 1.01 0.00 0.00 58.87 59.54 1xck n SER 154 Cb 0.52 -1.69 -0.04 0.00 -1.01 0.00 0.00 64.21 62.00 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 -2.90 6.25 0.45 6.43 -1.08 -1.07 -4.90 116.67 119.85 1xck s ASP 155 Ca 0.00 -1.38 0.18 0.00 -0.52 0.00 0.00 52.55 50.82 1xck s ASP 155 Cb 0.00 -2.36 1.12 0.00 -1.46 0.00 0.00 42.92 40.22 1xck s ASP 155 CO 0.00 -1.22 1.94 -0.33 0.52 0.00 0.00 175.17 176.08 1xck h GLU 156 N 9.25 0.32 -0.64 4.34 5.08 -1.94 -1.86 114.58 129.12 1xck h GLU 156 Ca -0.23 -0.02 0.05 0.00 -1.00 0.00 0.00 59.36 58.16 1xck h GLU 156 Cb 1.07 -0.07 -0.05 0.00 0.50 0.00 0.00 28.75 30.20 1xck h GLU 156 CO 1.12 0.21 0.37 1.15 -1.00 0.00 0.00 179.01 180.86 1xck h THR 157 N 0.33 0.99 -0.43 1.13 2.02 -1.97 -0.03 112.91 114.95 1xck h THR 157 Ca 0.34 -0.24 -0.07 0.00 0.77 0.00 0.00 66.41 67.21 1xck h THR 157 Cb 0.87 0.25 -0.01 0.00 -1.74 0.00 0.00 68.15 67.51 1xck h THR 157 CO -0.09 0.13 -0.02 0.58 0.37 0.00 0.00 175.52 176.48 1xck h VAL 158 N 0.69 1.26 -0.33 3.16 2.07 -1.70 0.24 116.25 121.65 1xck h VAL 158 Ca 0.28 -1.08 0.04 0.00 0.82 0.00 0.00 66.70 66.77 1xck h VAL 158 Cb 0.14 1.10 -0.04 0.00 -1.52 0.00 0.00 31.29 30.97 1xck h VAL 158 CO -0.16 0.37 0.10 1.23 0.02 0.00 0.00 177.57 179.13 1xck h GLY 159 N 0.61 0.41 0.84 2.17 0.00 -1.20 -0.42 103.07 105.48 1xck h GLY 159 Ca 0.12 -0.05 -0.02 0.00 0.00 0.00 0.00 47.33 47.38 1xck h GLY 159 CO 0.03 0.01 -0.34 1.70 0.00 0.00 0.00 176.54 177.94 1xck h LYS 160 N 0.24 -0.80 -0.51 4.80 3.64 -0.84 -0.77 116.57 122.32 1xck h LYS 160 Ca 0.15 0.05 0.09 0.00 -1.27 0.00 0.00 60.65 59.67 1xck h LYS 160 Cb 0.14 0.18 -0.10 0.00 -0.41 0.00 0.00 32.23 32.04 1xck h LYS 160 CO -0.17 -0.53 -0.40 -0.07 -2.27 0.00 0.00 179.45 176.01 1xck h LEU 161 N -0.83 -1.34 -0.88 5.20 3.38 -0.61 0.24 115.31 120.48 1xck h LEU 161 Ca -0.06 0.23 -0.00 0.00 0.09 0.00 0.00 57.88 58.13 1xck h LEU 161 Cb 0.68 0.62 -0.04 0.00 0.09 0.00 0.00 40.66 42.00 1xck h LEU 161 CO 0.05 -0.34 0.54 0.40 0.09 0.00 0.00 178.44 179.19 1xck h ILE 162 N -0.24 1.24 -0.29 1.22 2.04 -1.00 -0.16 117.51 120.32 1xck h ILE 162 Ca 0.18 -0.51 -0.02 0.00 1.00 0.00 0.00 64.86 65.51 1xck h ILE 162 Cb 0.56 -0.01 -0.01 0.00 -0.74 0.00 0.00 36.82 36.62 1xck h ILE 162 CO -0.64 0.25 0.11 0.00 0.00 0.00 0.00 178.15 177.87 1xck h ALA 163 N 1.29 0.38 -0.65 1.87 0.00 0.16 -0.61 119.26 121.70 1xck h ALA 163 Ca 0.32 -0.13 -0.05 0.00 0.00 0.00 0.00 54.91 55.05 1xck h ALA 163 Cb -0.07 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.58 1xck h ALA 163 CO -0.06 -0.01 0.22 0.93 0.00 0.00 0.00 179.25 180.33 1xck h GLU 164 N 0.32 0.99 -0.54 0.00 5.08 -0.25 -1.46 114.58 118.72 1xck h GLU 164 Ca 0.10 -0.20 -0.02 0.00 -1.00 0.00 0.00 59.36 58.23 1xck h GLU 164 Cb 0.21 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 29.28 1xck h GLU 164 CO -0.01 0.86 0.25 0.00 -1.00 0.00 0.00 179.01 179.12 1xck h ALA 165 N 1.09 0.70 -0.06 3.43 0.00 -0.81 -2.00 119.26 121.61 1xck h ALA 165 Ca 0.21 -0.13 -0.07 0.00 0.00 0.00 0.00 54.91 54.92 1xck h ALA 165 Cb 0.27 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 1xck h ALA 165 CO -0.01 0.27 -0.31 0.52 0.00 0.00 0.00 179.25 179.72 1xck h MET 166 N 0.73 0.11 -0.13 0.00 2.86 -0.92 -2.30 114.93 115.28 1xck h MET 166 Ca 0.19 -0.04 -0.10 0.00 -2.06 0.00 0.00 59.70 57.69 1xck h MET 166 Cb 0.13 -0.01 -0.01 0.00 0.06 0.00 0.00 31.60 31.77 1xck h MET 166 CO -0.02 0.41 -0.35 0.22 1.06 0.00 0.00 176.91 178.23 1xck h ASP 167 N 0.10 0.28 -0.00 1.22 3.58 -0.70 0.66 116.42 121.56 1xck h ASP 167 Ca 0.01 -0.10 -0.00 0.00 0.42 0.00 0.00 57.03 57.36 1xck h ASP 167 Cb 0.60 -0.08 -0.00 0.00 1.72 0.00 0.00 39.33 41.58 1xck h ASP 167 CO 0.04 0.62 -0.00 0.11 -2.88 0.00 0.00 179.24 177.13 1xck h LYS 168 N 0.23 0.00 -0.00 0.28 1.79 -0.82 -3.36 116.57 114.69 1xck h LYS 168 Ca 0.03 -0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.49 1xck h LYS 168 Cb 0.74 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.39 1xck h LYS 168 CO 0.06 0.50 -0.79 1.33 -1.08 0.00 0.00 179.45 179.46 1xck n VAL 169 N -4.85 0.00 0.00 0.50 0.24 -1.03 -5.10 118.33 108.09 1xck n VAL 169 Ca -0.08 -0.10 0.00 0.00 -2.04 0.00 0.00 64.34 62.11 1xck n VAL 169 Cb 0.25 1.02 0.00 0.00 -1.47 0.00 0.00 33.84 33.65 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 1.40 1.35 0.37 7.63 0.00 0.23 -3.31 105.19 112.87 1xck n GLY 170 Ca 0.04 -1.97 -0.01 0.00 0.00 0.00 0.00 46.02 44.08 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 1.25 -0.01 1.61 1.79 -1.96 -2.13 116.57 117.11 1xck h LYS 171 Ca 0.00 -0.07 0.00 0.00 -2.18 0.00 0.00 60.65 58.40 1xck h LYS 171 Cb 0.00 -0.28 0.00 0.00 -1.58 0.00 0.00 32.23 30.37 1xck h LYS 171 CO 0.00 0.82 -0.14 0.39 -1.08 0.00 0.00 179.45 179.45 1xck n GLU 172 N -4.40 0.95 -0.77 3.15 -0.58 -1.26 -4.97 120.64 112.76 1xck n GLU 172 Ca 0.12 -0.46 -0.29 0.00 -0.42 0.00 0.00 57.16 56.10 1xck n GLU 172 Cb 0.03 -1.49 0.20 0.00 -0.57 0.00 0.00 31.44 29.61 1xck n GLU 172 CO 0.00 0.00 0.00 0.20 -0.48 0.00 0.00 177.13 176.85 1xck s GLY 173 N -2.37 1.59 -0.32 0.62 0.00 -0.80 -5.00 107.32 101.04 1xck s GLY 173 Ca 0.30 0.01 -0.14 0.00 0.00 0.00 0.00 44.72 44.89 1xck s GLY 173 CO 0.46 0.61 0.34 0.14 0.00 0.00 0.00 173.10 174.65 1xck s VAL 174 N -2.64 5.19 -0.09 1.40 1.01 -1.26 -4.95 120.40 119.06 1xck s VAL 174 Ca 0.67 0.14 0.01 0.00 0.00 0.00 0.00 61.98 62.80 1xck s VAL 174 Cb -0.22 -3.76 -0.02 0.00 0.00 0.00 0.00 36.38 32.37 1xck s VAL 174 CO 0.61 -0.00 -0.10 -0.63 0.00 0.00 0.00 175.10 174.98 1xck s ILE 175 N 1.98 3.38 0.17 2.22 1.01 -1.26 -0.57 121.20 128.13 1xck s ILE 175 Ca 0.11 -0.58 0.09 0.00 0.00 0.00 0.00 60.65 60.28 1xck s ILE 175 Cb -0.16 -2.39 -0.04 0.00 0.01 0.00 0.00 42.46 39.88 1xck s ILE 175 CO 0.11 0.57 -0.20 -0.89 0.00 0.00 0.00 174.94 174.53 1xck s THR 176 N -0.37 1.93 -0.07 2.92 2.01 0.07 -4.96 115.64 117.17 1xck s THR 176 Ca 0.05 -1.94 0.02 0.00 0.31 0.00 0.00 61.69 60.13 1xck s THR 176 Cb -0.12 -1.90 0.02 0.00 0.01 0.00 0.00 72.50 70.51 1xck s THR 176 CO 0.02 -0.27 -0.10 -0.69 -0.69 0.00 0.00 174.62 172.89 1xck s VAL 177 N -1.95 1.00 0.21 3.82 1.01 -1.26 -0.48 120.40 122.76 1xck s VAL 177 Ca 0.17 -0.38 0.02 0.00 0.00 0.00 0.00 61.98 61.78 1xck s VAL 177 Cb -0.06 -0.94 -0.05 0.00 0.00 0.00 0.00 36.38 35.33 1xck s VAL 177 CO 0.07 0.33 0.03 -1.61 0.00 0.00 0.00 175.10 173.93 1xck s GLU 178 N 0.83 1.25 0.58 2.72 2.02 0.62 -4.96 118.70 121.76 1xck s GLU 178 Ca -0.12 -1.63 -0.20 0.00 0.02 0.00 0.00 54.97 53.04 1xck s GLU 178 Cb -0.15 -0.32 -0.04 0.00 0.10 0.00 0.00 34.13 33.72 1xck s GLU 178 CO 0.02 -0.18 1.29 -0.51 0.02 0.00 0.00 175.26 175.90 1xck s ASP 179 N -3.24 5.09 0.45 -0.19 1.01 -1.26 -1.61 116.67 116.91 1xck s ASP 179 Ca 0.29 2.61 -0.09 0.00 0.71 0.00 0.00 52.55 56.08 1xck s ASP 179 Cb 0.07 -2.62 -0.05 0.00 1.01 0.00 0.00 42.92 41.32 1xck s ASP 179 CO 0.08 -1.67 0.79 -0.83 0.21 0.00 0.00 175.17 173.75 1xck s GLY 180 N -1.25 1.76 0.43 0.21 0.00 -0.50 -4.43 107.32 103.55 1xck s GLY 180 Ca 0.76 -0.30 0.24 0.00 0.00 0.00 0.00 44.72 45.42 1xck s GLY 180 CO 0.41 -0.12 1.70 -0.91 0.00 0.00 0.00 173.10 174.18 1xck h THR 181 N 0.69 0.26 0.00 0.90 1.35 -1.88 -3.48 112.91 110.75 1xck h THR 181 Ca -0.47 -1.15 0.00 0.00 -0.55 0.00 0.00 66.41 64.25 1xck h THR 181 Cb 1.19 1.93 0.00 0.00 -1.73 0.00 0.00 68.15 69.55 1xck h THR 181 CO 0.63 0.13 0.00 0.61 -0.25 0.00 0.00 175.52 176.64 1xck n GLY 182 N 0.73 1.18 3.76 5.82 0.00 -1.26 -5.12 105.19 110.30 1xck n GLY 182 Ca 0.02 -0.25 -0.39 0.00 0.00 0.00 0.00 46.02 45.41 1xck n GLY 182 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1xck s LEU 183 N 0.00 4.48 0.00 0.99 1.98 -1.15 -2.41 118.68 122.57 1xck s LEU 183 Ca 0.00 1.97 0.00 0.00 -2.89 0.00 0.00 54.13 53.21 1xck s LEU 183 Cb 0.00 -3.80 0.00 0.00 0.66 0.00 0.00 46.19 43.05 1xck s LEU 183 CO 0.00 -0.03 0.00 0.00 -1.89 0.00 0.00 176.35 174.43 1xck n GLN 184 N 0.98 0.00 -0.81 1.98 6.02 -1.26 -4.77 117.38 119.52 1xck n GLN 184 Ca 0.00 0.18 -0.29 0.00 -0.01 0.00 0.00 57.00 56.89 1xck n GLN 184 Cb 0.48 -0.02 0.23 0.00 1.02 0.00 0.00 30.24 31.95 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 1.29 -0.07 1.08 1.01 -1.26 -4.21 116.67 114.51 1xck s ASP 185 Ca 0.00 1.22 -0.10 0.00 0.71 0.00 0.00 52.55 54.38 1xck s ASP 185 Cb 0.00 -1.88 0.02 0.00 1.01 0.00 0.00 42.92 42.07 1xck s ASP 185 CO 0.00 -3.97 0.26 -1.61 0.21 0.00 0.00 175.17 170.06 1xck s GLU 186 N -4.79 0.39 -0.01 8.23 2.02 -0.29 -4.88 118.70 119.36 1xck s GLU 186 Ca 0.68 0.18 0.01 0.00 0.02 0.00 0.00 54.97 55.85 1xck s GLU 186 Cb -0.20 0.18 0.01 0.00 0.10 0.00 0.00 34.13 34.22 1xck s GLU 186 CO 0.61 -0.07 -0.03 -1.17 0.02 0.00 0.00 175.26 174.62 1xck s LEU 187 N -0.30 1.75 -0.29 1.80 2.96 -1.26 -0.57 118.68 122.78 1xck s LEU 187 Ca -0.04 -0.06 -0.22 0.00 -0.22 0.00 0.00 54.13 53.59 1xck s LEU 187 Cb -0.03 -0.21 0.14 0.00 0.50 0.00 0.00 46.19 46.59 1xck s LEU 187 CO 0.01 0.00 1.07 1.51 -1.32 0.00 0.00 176.35 177.62 1xck s ASP 188 N 0.26 -0.41 -0.24 3.68 -4.77 -1.06 -4.98 116.67 109.15 1xck s ASP 188 Ca -0.02 0.74 -0.22 0.00 -3.30 0.00 0.00 52.55 49.74 1xck s ASP 188 Cb -0.05 0.89 -0.01 0.00 -1.09 0.00 0.00 42.92 42.65 1xck s ASP 188 CO -0.01 -0.12 0.72 -0.69 0.70 0.00 0.00 175.17 175.77 1xck s VAL 189 N 0.57 4.92 0.17 2.11 1.01 -1.26 -1.27 120.40 126.66 1xck s VAL 189 Ca -0.00 1.33 0.08 0.00 0.00 0.00 0.00 61.98 63.38 1xck s VAL 189 Cb -0.04 -4.01 -0.04 0.00 0.00 0.00 0.00 36.38 32.28 1xck s VAL 189 CO -0.10 -0.01 -0.04 0.68 0.00 0.00 0.00 175.10 175.63 1xck s VAL 190 N 2.58 3.52 0.16 2.92 -7.23 0.54 -4.86 120.40 118.03 1xck s VAL 190 Ca 0.30 -1.49 -0.34 0.00 -1.81 0.00 0.00 61.98 58.64 1xck s VAL 190 Cb -0.15 -2.76 -0.14 0.00 0.56 0.00 0.00 36.38 33.89 1xck s VAL 190 CO 0.08 -0.10 1.52 -0.62 -0.31 0.00 0.00 175.10 175.68 1xck n GLU 191 N -0.01 1.98 -3.58 4.82 -0.58 -1.26 -0.89 120.64 121.10 1xck n GLU 191 Ca -0.10 0.71 0.03 0.00 -0.42 0.00 0.00 57.16 57.38 1xck n GLU 191 Cb 0.55 -2.45 -0.00 0.00 -0.57 0.00 0.00 31.44 28.97 1xck n GLU 191 CO 0.00 0.00 0.00 0.20 -0.48 0.00 0.00 177.13 176.85 1xck s GLY 192 N 0.78 -0.47 0.21 0.62 0.00 -1.26 0.57 107.32 107.77 1xck s GLY 192 Ca 0.79 0.87 -0.15 0.00 0.00 0.00 0.00 44.72 46.23 1xck s GLY 192 CO 0.40 0.33 0.48 -0.29 0.00 0.00 0.00 173.10 174.03 1xck s MET 193 N -2.13 1.43 -0.14 2.90 1.75 -0.64 -3.70 119.30 118.77 1xck s MET 193 Ca 0.15 -1.06 -0.06 0.00 -1.25 0.00 0.00 55.69 53.47 1xck s MET 193 Cb 0.07 0.49 0.06 0.00 2.84 0.00 0.00 34.83 38.29 1xck s MET 193 CO -0.06 -0.60 0.31 -1.14 -0.65 0.00 0.00 175.02 172.88 1xck s GLN 194 N -3.94 0.24 0.25 4.11 0.74 -1.26 -0.69 119.66 119.11 1xck s GLN 194 Ca 0.15 0.74 0.11 0.00 0.05 0.00 0.00 55.36 56.41 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 0.02 -0.22 -0.20 -0.59 -0.55 0.00 0.00 175.29 173.75 1xck s PHE 195 N 1.90 2.22 -1.38 1.67 -0.71 -0.10 -4.99 117.98 116.58 1xck s PHE 195 Ca -0.05 -0.36 -0.15 0.00 -1.04 0.00 0.00 56.93 55.33 1xck s PHE 195 Cb -0.11 -1.00 0.07 0.00 -1.21 0.00 0.00 43.02 40.77 1xck s PHE 195 CO -0.10 0.63 1.99 -0.25 -1.34 0.00 0.00 175.22 176.15 1xck n ASP 196 N -0.38 4.41 -3.72 1.98 8.00 -1.26 -1.35 116.55 124.22 1xck n ASP 196 Ca -0.07 -2.90 -0.12 0.00 0.71 0.00 0.00 54.79 52.41 1xck n ASP 196 Cb 0.59 -1.67 -0.10 0.00 -0.02 0.00 0.00 41.12 39.92 1xck n ASP 196 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 1xck s ARG 197 N 3.20 0.45 0.01 -1.24 1.81 -0.99 -4.87 118.95 117.33 1xck s ARG 197 Ca 0.48 0.64 0.00 0.00 -1.72 0.00 0.00 55.73 55.14 1xck s ARG 197 Cb 0.09 0.14 0.00 0.00 -0.45 0.00 0.00 34.95 34.74 1xck s ARG 197 CO -0.02 -0.09 0.01 0.41 -0.68 0.00 0.00 175.30 174.93 1xck n GLY 198 N 3.34 2.96 3.74 -3.53 0.00 -1.26 -0.93 105.19 109.51 1xck n GLY 198 Ca -0.17 -2.17 -0.42 0.00 0.00 0.00 0.00 46.02 43.27 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 0.02 2.99 -1.80 1.61 -0.85 -0.67 -4.46 117.35 114.19 1xck s TYR 199 Ca 0.01 0.87 0.00 0.00 -0.52 0.00 0.00 57.07 57.43 1xck s TYR 199 Cb -0.00 -3.89 0.00 0.00 0.38 0.00 0.00 41.96 38.45 1xck s TYR 199 CO 0.01 -3.02 0.54 1.28 -1.52 0.00 0.00 175.55 172.84 1xck n LEU 200 N 2.78 0.12 0.00 -3.49 4.77 -0.41 -4.68 117.00 116.10 1xck n LEU 200 Ca 0.09 -0.06 0.00 0.00 -0.03 0.00 0.00 56.01 56.01 1xck n LEU 200 Cb 0.39 -0.06 0.00 0.00 -2.33 0.00 0.00 43.42 41.42 1xck n LEU 200 CO 0.61 0.03 0.00 -0.24 -1.33 0.00 0.00 177.39 176.46 1xck n SER 201 N -0.36 0.00 -2.12 -1.43 2.88 -1.26 -5.08 113.62 106.25 1xck n SER 201 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1xck n SER 201 Cb 0.03 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.49 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 -0.44 2.60 0.00 -1.46 -0.02 -1.26 -3.63 135.00 130.78 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 0.39 6.00 4.01 -1.26 -4.23 117.16 122.07 1xck n TYR 203 Ca 0.00 0.00 0.11 0.00 -0.16 0.00 0.00 57.90 57.85 1xck n TYR 203 Cb 0.00 0.00 0.46 0.00 -0.31 0.00 0.00 39.34 39.49 1xck n TYR 203 CO 0.00 0.00 0.00 1.19 -0.46 0.00 0.00 176.86 177.59 1xck n PHE 204 N 0.00 0.66 -1.87 -0.72 3.72 -1.24 -4.69 117.46 113.33 1xck n PHE 204 Ca 0.00 0.27 -0.42 0.00 -0.05 0.00 0.00 57.45 57.25 1xck n PHE 204 Cb 0.00 -0.93 -0.03 0.00 -0.94 0.00 0.00 39.48 37.58 1xck n PHE 204 CO 0.00 0.00 0.00 0.42 -0.05 0.00 0.00 176.76 177.13 1xck s ILE 205 N -3.28 3.21 -0.19 4.37 1.01 -1.26 -4.65 121.20 120.42 1xck s ILE 205 Ca 0.04 0.41 0.02 0.00 0.00 0.00 0.00 60.65 61.11 1xck s ILE 205 Cb 0.09 -3.26 0.03 0.00 0.01 0.00 0.00 42.46 39.33 1xck s ILE 205 CO 0.35 -0.02 0.80 -0.46 0.00 0.00 0.00 174.94 175.60 1xck n ASN 206 N 6.75 1.64 -3.33 3.58 0.23 -1.11 -4.74 115.26 118.29 1xck n ASN 206 Ca 0.18 -1.53 -0.26 0.00 -0.53 0.00 0.00 54.58 52.44 1xck n ASN 206 Cb 0.41 -0.02 -0.08 0.00 -2.08 0.00 0.00 39.78 38.01 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 -0.12 1.25 0.20 -3.83 4.76 -0.95 -4.94 118.16 114.53 1xck n LYS 207 Ca 0.01 -3.72 0.18 0.00 -2.87 0.00 0.00 58.31 51.91 1xck n LYS 207 Cb 0.16 -1.65 0.76 0.00 -1.84 0.00 0.00 35.03 32.46 1xck n LYS 207 CO 0.00 0.00 0.00 -1.00 -1.37 0.00 0.00 177.40 175.03 1xck h PRO 208 N 4.35 0.00 -0.11 1.97 0.13 -1.85 1.24 132.00 137.74 1xck h PRO 208 Ca 0.14 0.00 -0.11 0.00 -0.87 0.00 0.00 66.00 65.16 1xck h PRO 208 Cb 0.81 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.95 1xck h PRO 208 CO 0.58 0.00 -0.36 0.93 -0.23 0.00 0.00 178.00 178.91 1xck h GLU 209 N 0.00 0.43 0.00 0.86 3.07 -1.95 -3.15 114.58 113.84 1xck h GLU 209 Ca 0.11 -0.32 0.00 0.00 -0.50 0.00 0.00 59.36 58.65 1xck h GLU 209 Cb 0.94 0.06 0.00 0.00 -0.84 0.00 0.00 28.75 28.91 1xck h GLU 209 CO -0.00 0.95 -0.62 1.15 -1.40 0.00 0.00 179.01 179.09 1xck h THR 210 N 0.00 0.00 -5.01 1.13 2.02 -1.55 -3.47 112.91 106.03 1xck h THR 210 Ca -0.02 -0.55 -0.41 0.00 0.77 0.00 0.00 66.41 66.21 1xck h THR 210 Cb 0.99 1.14 0.09 0.00 -1.74 0.00 0.00 68.15 68.64 1xck h THR 210 CO 0.08 0.00 -0.64 0.61 0.37 0.00 0.00 175.52 175.94 1xck n GLY 211 N 1.32 -0.53 3.33 2.16 0.00 0.41 -4.97 105.19 106.90 1xck n GLY 211 Ca 0.03 0.18 -0.17 0.00 0.00 0.00 0.00 46.02 46.06 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 -3.24 1.80 -0.12 4.61 0.00 -1.04 -4.61 121.76 119.17 1xck s ALA 212 Ca 0.42 -1.86 -0.06 0.00 0.00 0.00 0.00 51.96 50.46 1xck s ALA 212 Cb -0.18 1.04 -0.04 0.00 0.00 0.00 0.00 23.12 23.93 1xck s ALA 212 CO 0.51 -0.45 0.11 0.08 0.00 0.00 0.00 175.76 176.01 1xck s VAL 213 N -3.71 5.27 -0.21 0.00 1.01 0.14 -2.23 120.40 120.68 1xck s VAL 213 Ca 0.37 0.12 -0.04 0.00 0.00 0.00 0.00 61.98 62.44 1xck s VAL 213 Cb 0.07 -3.30 0.07 0.00 0.00 0.00 0.00 36.38 33.23 1xck s VAL 213 CO 0.14 0.60 0.08 -0.70 0.00 0.00 0.00 175.10 175.22 1xck s GLU 214 N -0.86 0.28 -0.09 2.72 2.12 -1.26 -1.21 118.70 120.40 1xck s GLU 214 Ca 0.14 -0.31 0.00 0.00 0.36 0.00 0.00 54.97 55.16 1xck s GLU 214 Cb -0.12 -1.80 -0.02 0.00 0.26 0.00 0.00 34.13 32.45 1xck s GLU 214 CO 0.03 -0.74 -0.10 -0.51 -0.54 0.00 0.00 175.26 173.40 1xck s LEU 215 N 2.03 2.97 -0.15 2.70 1.43 -0.93 -4.97 118.68 121.76 1xck s LEU 215 Ca 0.03 -0.15 -0.04 0.00 -1.03 0.00 0.00 54.13 52.94 1xck s LEU 215 Cb -0.16 -1.66 -0.03 0.00 0.03 0.00 0.00 46.19 44.37 1xck s LEU 215 CO -0.15 0.28 -0.04 -1.61 0.23 0.00 0.00 176.35 175.07 1xck s GLU 216 N -0.31 3.64 -1.44 1.70 2.02 -1.26 -1.65 118.70 121.40 1xck s GLU 216 Ca 0.04 -0.51 -0.03 0.00 0.02 0.00 0.00 54.97 54.48 1xck s GLU 216 Cb -0.13 -2.91 0.03 0.00 0.10 0.00 0.00 34.13 31.22 1xck s GLU 216 CO 0.02 0.27 0.52 0.43 0.02 0.00 0.00 175.26 176.53 1xck n SER 217 N 3.45 -1.04 -4.91 -0.19 7.64 -0.03 -4.59 113.62 113.96 1xck n SER 217 Ca -0.17 -0.98 -0.27 0.00 1.01 0.00 0.00 58.87 58.46 1xck n SER 217 Cb 0.52 -3.16 0.06 0.00 -1.01 0.00 0.00 64.21 60.62 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 -6.55 2.47 0.11 1.43 0.04 -1.10 -4.59 135.00 126.81 1xck s PRO 218 Ca 0.14 -0.02 -0.02 0.00 0.04 0.00 0.00 61.00 61.14 1xck s PRO 218 Cb -0.07 -2.14 -0.05 0.00 0.04 0.00 0.00 34.50 32.28 1xck s PRO 218 CO 0.88 -1.11 0.30 -0.06 0.04 0.00 0.00 177.00 177.06 1xck s PHE 219 N -3.24 3.49 -0.20 0.56 0.08 -0.42 -3.12 117.98 115.13 1xck s PHE 219 Ca 0.58 0.41 0.01 0.00 0.12 0.00 0.00 56.93 58.05 1xck s PHE 219 Cb -0.11 -1.89 0.04 0.00 -0.57 0.00 0.00 43.02 40.50 1xck s PHE 219 CO 0.47 0.50 -0.13 0.42 -0.10 0.00 0.00 175.22 176.38 1xck s ILE 220 N -1.60 1.86 -0.32 0.64 1.01 -0.18 -0.69 121.20 121.93 1xck s ILE 220 Ca 0.38 -1.11 -0.20 0.00 0.00 0.00 0.00 60.65 59.72 1xck s ILE 220 Cb -0.12 -1.87 -0.01 0.00 0.01 0.00 0.00 42.46 40.47 1xck s ILE 220 CO 0.26 0.23 0.63 -0.22 0.00 0.00 0.00 174.94 175.85 1xck s LEU 221 N 1.31 4.17 -0.50 2.97 2.96 0.77 -0.79 118.68 129.57 1xck s LEU 221 Ca -0.01 0.36 -0.09 0.00 -0.22 0.00 0.00 54.13 54.17 1xck s LEU 221 Cb -0.16 -2.81 0.13 0.00 0.50 0.00 0.00 46.19 43.85 1xck s LEU 221 CO -0.09 -0.51 0.38 -0.76 -1.32 0.00 0.00 176.35 174.05 1xck s LEU 222 N 2.63 5.72 -0.26 -0.68 1.43 -1.26 0.02 118.68 126.28 1xck s LEU 222 Ca 0.25 -2.04 -0.01 0.00 -1.03 0.00 0.00 54.13 51.30 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 0.12 -0.66 -0.06 0.00 0.23 0.00 0.00 176.35 175.99 1xck s ALA 223 N 1.17 2.69 -1.27 4.21 0.00 -0.92 -0.20 121.76 127.44 1xck s ALA 223 Ca 0.07 -1.58 -0.18 0.00 0.00 0.00 0.00 51.96 50.27 1xck s ALA 223 Cb -0.25 -1.72 0.07 0.00 0.00 0.00 0.00 23.12 21.23 1xck s ALA 223 CO -0.02 -0.98 1.70 0.34 0.00 0.00 0.00 175.76 176.81 1xck s ASP 224 N 1.27 6.82 0.00 0.00 2.15 -0.76 -3.07 116.67 123.07 1xck s ASP 224 Ca -0.02 -2.38 0.00 0.00 0.43 0.00 0.00 52.55 50.57 1xck s ASP 224 Cb -0.18 -2.57 0.00 0.00 -0.30 0.00 0.00 42.92 39.87 1xck s ASP 224 CO -0.04 -1.18 0.00 2.29 -0.17 0.00 0.00 175.17 176.07 1xck n LYS 225 N 8.34 0.00 -2.39 4.34 -0.00 -1.26 -4.05 118.16 123.15 1xck n LYS 225 Ca 0.47 0.00 -0.40 0.00 -0.00 0.00 0.00 58.31 58.38 1xck n LYS 225 Cb 0.46 0.00 -0.04 0.00 -0.00 0.00 0.00 35.03 35.46 1xck n LYS 225 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.40 177.55 1xck s LYS 226 N -2.00 4.55 -0.28 -1.58 1.02 -1.26 -2.65 119.74 117.54 1xck s LYS 226 Ca 0.00 1.89 0.01 0.00 0.02 0.00 0.00 55.97 57.89 1xck s LYS 226 Cb 0.00 -3.14 0.05 0.00 -0.52 0.00 0.00 37.83 34.22 1xck s LYS 226 CO 0.00 0.10 -0.06 0.42 -0.92 0.00 0.00 175.35 174.89 1xck s ILE 227 N -1.17 2.58 -0.02 2.17 1.01 0.46 -4.94 121.20 121.29 1xck s ILE 227 Ca 0.46 -1.47 0.10 0.00 0.00 0.00 0.00 60.65 59.74 1xck s ILE 227 Cb -0.34 -2.48 -0.15 0.00 0.01 0.00 0.00 42.46 39.50 1xck s ILE 227 CO 0.43 -0.04 0.20 -1.20 0.00 0.00 0.00 174.94 174.34 1xck n SER 228 N 4.54 2.71 -4.06 3.58 7.64 -1.26 -0.48 113.62 126.28 1xck n SER 228 Ca -0.14 0.00 -0.30 0.00 1.01 0.00 0.00 58.87 59.44 1xck n SER 228 Cb 0.43 1.39 -0.17 0.00 -1.01 0.00 0.00 64.21 64.86 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 -3.24 2.69 0.00 6.43 0.01 -1.26 -0.11 114.94 119.46 1xck s ASN 229 Ca -0.04 -0.49 0.00 0.00 -0.71 0.00 0.00 52.86 51.62 1xck s ASN 229 Cb 0.06 -1.21 0.00 0.00 0.41 0.00 0.00 41.25 40.51 1xck s ASN 229 CO 0.41 -0.00 0.47 0.00 -1.51 0.00 0.00 177.10 176.48 1xck n ILE 230 N 4.42 0.25 0.07 0.60 3.06 -1.26 -3.37 119.36 123.14 1xck n ILE 230 Ca -0.19 0.00 -0.18 0.00 -2.50 0.00 0.00 62.75 59.89 1xck n ILE 230 Cb 0.51 -0.53 -0.14 0.00 0.54 0.00 0.00 39.64 40.01 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 0.41 0.28 0.00 9.51 2.43 -1.97 -3.20 114.38 121.84 1xck h ARG 231 Ca 0.00 -0.48 -0.06 0.00 -0.81 0.00 0.00 59.98 58.62 1xck h ARG 231 Cb 0.47 0.18 -0.01 0.00 -0.42 0.00 0.00 29.97 30.19 1xck h ARG 231 CO 0.00 1.16 -0.31 0.93 -1.51 0.00 0.00 179.97 180.25 1xck h GLU 232 N 0.08 0.00 -0.19 0.20 5.08 -1.95 -3.26 114.58 114.54 1xck h GLU 232 Ca -0.24 0.00 -0.10 0.00 -1.00 0.00 0.00 59.36 58.03 1xck h GLU 232 Cb 2.03 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 31.28 1xck h GLU 232 CO 0.18 0.31 -0.26 0.52 -1.00 0.00 0.00 179.01 178.75 1xck h MET 233 N 0.00 0.50 -0.55 2.33 2.86 -1.77 -3.30 114.93 115.01 1xck h MET 233 Ca -0.00 -0.29 0.07 0.00 -2.06 0.00 0.00 59.70 57.42 1xck h MET 233 Cb 0.96 0.02 -0.08 0.00 0.06 0.00 0.00 31.60 32.56 1xck h MET 233 CO 0.04 0.89 -0.26 1.28 1.06 0.00 0.00 176.91 179.92 1xck n LEU 234 N -4.39 -0.45 -0.23 1.22 4.77 -1.21 0.32 117.00 117.03 1xck n LEU 234 Ca -0.06 0.97 0.06 0.00 -0.03 0.00 0.00 56.01 56.96 1xck n LEU 234 Cb 0.45 -0.18 0.32 0.00 -2.33 0.00 0.00 43.42 41.67 1xck n LEU 234 CO 0.42 -0.84 1.23 1.55 -1.33 0.00 0.00 177.39 178.42 1xck h PRO 235 N 0.00 0.80 0.00 3.23 0.13 -1.82 -0.37 132.00 133.98 1xck h PRO 235 Ca 0.15 -0.05 -0.25 0.00 -0.87 0.00 0.00 66.00 64.98 1xck h PRO 235 Cb 0.29 -0.18 -0.04 0.00 0.13 0.00 0.00 31.00 31.20 1xck h PRO 235 CO -0.54 0.53 -1.51 0.28 -0.23 0.00 0.00 178.00 176.53 1xck h VAL 236 N 0.83 0.89 0.00 1.56 2.07 -0.44 -3.12 116.25 118.04 1xck h VAL 236 Ca 0.35 -2.64 -0.11 0.00 0.82 0.00 0.00 66.70 65.12 1xck h VAL 236 Cb 0.29 2.40 -0.02 0.00 -1.52 0.00 0.00 31.29 32.44 1xck h VAL 236 CO -0.13 0.51 -0.51 -0.07 0.02 0.00 0.00 177.57 177.39 1xck h LEU 237 N 0.00 0.00 0.17 2.57 3.38 0.28 -2.73 115.31 118.97 1xck h LEU 237 Ca -0.21 0.00 -0.28 0.00 0.09 0.00 0.00 57.88 57.48 1xck h LEU 237 Cb 1.87 0.00 0.03 0.00 0.09 0.00 0.00 40.66 42.66 1xck h LEU 237 CO 0.08 0.51 -1.20 -0.33 0.09 0.00 0.00 178.44 177.59 1xck h GLU 238 N 0.00 0.52 -0.12 1.13 5.08 -1.19 -1.89 114.58 118.11 1xck h GLU 238 Ca -0.01 -0.78 0.03 0.00 -1.00 0.00 0.00 59.36 57.61 1xck h GLU 238 Cb 0.92 0.27 -0.00 0.00 0.50 0.00 0.00 28.75 30.44 1xck h GLU 238 CO 0.07 1.36 0.12 0.00 -1.00 0.00 0.00 179.01 179.55 1xck h ALA 239 N 0.20 1.80 0.00 3.43 0.00 -1.48 0.04 119.26 123.26 1xck h ALA 239 Ca -0.20 -0.00 -0.22 0.00 0.00 0.00 0.00 54.91 54.49 1xck h ALA 239 Cb 1.91 0.01 -0.04 0.00 0.00 0.00 0.00 17.79 19.67 1xck h ALA 239 CO 0.23 -0.18 -1.37 0.28 0.00 0.00 0.00 179.25 178.21 1xck h VAL 240 N 0.00 0.90 -0.24 0.00 2.07 -1.43 -3.24 116.25 114.31 1xck h VAL 240 Ca 0.06 -2.57 -0.03 0.00 0.82 0.00 0.00 66.70 64.97 1xck h VAL 240 Cb 0.29 2.38 -0.01 0.00 -1.52 0.00 0.00 31.29 32.42 1xck h VAL 240 CO -0.00 0.51 -0.01 0.00 0.02 0.00 0.00 177.57 178.10 1xck h ALA 241 N 1.18 1.56 -2.11 1.67 0.00 -0.16 -3.19 119.26 118.20 1xck h ALA 241 Ca -0.17 -0.15 -0.45 0.00 0.00 0.00 0.00 54.91 54.14 1xck h ALA 241 Cb 1.78 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 19.45 1xck h ALA 241 CO 0.08 0.33 0.35 0.15 0.00 0.00 0.00 179.25 180.15 1xck s LYS 242 N -4.97 4.13 0.00 0.00 1.02 -0.75 -2.64 119.74 116.52 1xck s LYS 242 Ca -0.06 1.10 0.00 0.00 0.02 0.00 0.00 55.97 57.03 1xck s LYS 242 Cb 0.16 -2.16 0.00 0.00 -0.52 0.00 0.00 37.83 35.31 1xck s LYS 242 CO 0.73 -0.12 0.00 0.00 -0.92 0.00 0.00 175.35 175.04 1xck n ALA 243 N -0.88 0.00 -4.03 5.17 0.00 -1.26 -4.29 120.51 115.21 1xck n ALA 243 Ca 0.07 0.00 -0.27 0.00 0.00 0.00 0.00 53.44 53.24 1xck n ALA 243 Cb 0.54 -0.14 -0.08 0.00 0.00 0.00 0.00 19.45 19.77 1xck n ALA 243 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1xck n GLY 244 N -2.00 -0.16 3.45 0.00 0.00 -1.08 -4.95 105.19 100.45 1xck n GLY 244 Ca 0.00 0.16 -0.30 0.00 0.00 0.00 0.00 46.02 45.88 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 -6.74 1.87 1.06 1.61 1.02 -1.21 -5.08 119.74 112.28 1xck s LYS 245 Ca 0.04 -1.10 -0.13 0.00 0.02 0.00 0.00 55.97 54.80 1xck s LYS 245 Cb -0.02 -2.11 0.22 0.00 -0.52 0.00 0.00 37.83 35.41 1xck s LYS 245 CO 0.84 0.51 1.07 -1.25 -0.92 0.00 0.00 175.35 175.60 1xck s PRO 246 N -1.73 -0.09 -0.02 -1.68 0.04 -1.26 -4.74 135.00 125.52 1xck s PRO 246 Ca 0.15 0.56 0.00 0.00 0.04 0.00 0.00 61.00 61.75 1xck s PRO 246 Cb -0.10 -1.67 0.02 0.00 0.04 0.00 0.00 34.50 32.78 1xck s PRO 246 CO 0.07 -3.09 0.00 -1.17 0.04 0.00 0.00 177.00 172.85 1xck s LEU 247 N -6.71 1.43 -0.19 -3.56 2.96 0.57 -1.30 118.68 111.88 1xck s LEU 247 Ca 0.66 -0.01 -0.04 0.00 -0.22 0.00 0.00 54.13 54.52 1xck s LEU 247 Cb -0.20 -0.14 -0.02 0.00 0.50 0.00 0.00 46.19 46.33 1xck s LEU 247 CO 0.60 -0.06 -0.04 -0.22 -1.32 0.00 0.00 176.35 175.30 1xck s LEU 248 N 0.66 3.04 -0.30 -0.68 2.96 0.14 -1.24 118.68 123.25 1xck s LEU 248 Ca -0.06 -0.29 -0.11 0.00 -0.22 0.00 0.00 54.13 53.45 1xck s LEU 248 Cb -0.09 -1.76 -0.03 0.00 0.50 0.00 0.00 46.19 44.81 1xck s LEU 248 CO -0.01 0.06 0.19 -0.63 -1.32 0.00 0.00 176.35 174.63 1xck s ILE 249 N 1.03 5.11 -0.58 6.68 -1.09 0.84 -0.16 121.20 133.03 1xck s ILE 249 Ca 0.01 -0.08 -0.00 0.00 -2.23 0.00 0.00 60.65 58.35 1xck s ILE 249 Cb -0.15 -3.52 0.15 0.00 -1.58 0.00 0.00 42.46 37.36 1xck s ILE 249 CO 0.01 0.14 0.37 -0.63 -1.23 0.00 0.00 174.94 173.60 1xck s ILE 250 N 1.71 3.28 0.45 2.92 1.01 0.10 -1.38 121.20 129.29 1xck s ILE 250 Ca 0.06 -3.09 0.05 0.00 0.00 0.00 0.00 60.65 57.67 1xck s ILE 250 Cb -0.17 -3.18 -0.06 0.00 0.01 0.00 0.00 42.46 39.07 1xck s ILE 250 CO 0.09 -0.84 0.01 0.00 0.00 0.00 0.00 174.94 174.20 1xck s ALA 251 N -0.14 3.51 0.49 9.38 0.00 -1.18 -2.17 121.76 131.65 1xck s ALA 251 Ca 0.17 -1.61 0.21 0.00 0.00 0.00 0.00 51.96 50.73 1xck s ALA 251 Cb -0.22 0.11 1.26 0.00 0.00 0.00 0.00 23.12 24.27 1xck s ALA 251 CO -0.02 -0.08 1.97 1.49 0.00 0.00 0.00 175.76 179.12 1xck h GLU 252 N 1.62 0.16 0.00 0.00 4.81 -1.43 0.79 114.58 120.52 1xck h GLU 252 Ca -0.44 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 58.78 1xck h GLU 252 Cb 1.27 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 30.61 1xck h GLU 252 CO 0.78 0.10 0.00 -3.47 -0.73 0.00 0.00 179.01 175.70 1xck n ASP 253 N -4.42 0.00 -3.86 1.04 2.03 -1.26 -4.41 116.55 105.68 1xck n ASP 253 Ca 0.11 0.00 -0.29 0.00 0.52 0.00 0.00 54.79 55.13 1xck n ASP 253 Cb 0.56 0.00 -0.16 0.00 -0.72 0.00 0.00 41.12 40.80 1xck n ASP 253 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 1xck s VAL 254 N -2.00 1.10 0.22 5.18 1.01 -1.26 -0.40 120.40 124.24 1xck s VAL 254 Ca 0.00 -0.90 0.06 0.00 0.00 0.00 0.00 61.98 61.14 1xck s VAL 254 Cb 0.00 -1.45 -0.04 0.00 0.00 0.00 0.00 36.38 34.90 1xck s VAL 254 CO 0.00 -0.12 0.19 -1.61 0.00 0.00 0.00 175.10 173.56 1xck s GLU 255 N 1.60 2.96 0.00 2.72 2.02 0.37 -4.59 118.70 123.77 1xck s GLU 255 Ca -0.03 -0.96 0.00 0.00 0.02 0.00 0.00 54.97 53.99 1xck s GLU 255 Cb -0.18 -2.62 0.00 0.00 0.10 0.00 0.00 34.13 31.43 1xck s GLU 255 CO -0.07 0.43 0.00 0.41 0.02 0.00 0.00 175.26 176.05 1xck n GLY 256 N -0.89 0.00 0.37 -1.39 0.00 -1.26 -1.64 105.19 100.39 1xck n GLY 256 Ca -0.08 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.89 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 -0.12 -0.04 1.61 4.22 -1.92 1.14 114.58 119.48 1xck h GLU 257 Ca 0.00 0.01 -0.02 0.00 0.08 0.00 0.00 59.36 59.43 1xck h GLU 257 Cb 0.00 0.03 -0.00 0.00 0.50 0.00 0.00 28.75 29.28 1xck h GLU 257 CO 0.00 -0.08 -0.05 0.00 -2.18 0.00 0.00 179.01 176.71 1xck h ALA 258 N 0.99 0.05 -0.76 2.92 0.00 0.45 -2.67 119.26 120.23 1xck h ALA 258 Ca 0.25 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1xck h ALA 258 Cb 0.56 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.30 1xck h ALA 258 CO -0.79 -0.15 0.49 1.25 0.00 0.00 0.00 179.25 180.05 1xck h LEU 259 N -0.39 0.89 -0.70 0.00 5.85 -0.83 -1.31 115.31 118.82 1xck h LEU 259 Ca 0.00 -0.04 -0.08 0.00 0.84 0.00 0.00 57.88 58.61 1xck h LEU 259 Cb 0.58 -0.22 -0.03 0.00 0.37 0.00 0.00 40.66 41.36 1xck h LEU 259 CO 0.01 0.66 0.14 0.00 -0.34 0.00 0.00 178.44 178.91 1xck h ALA 260 N 1.27 0.93 -0.34 1.25 0.00 0.13 -0.75 119.26 121.74 1xck h ALA 260 Ca 0.28 -0.26 -0.08 0.00 0.00 0.00 0.00 54.91 54.84 1xck h ALA 260 Cb -0.09 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.41 1xck h ALA 260 CO -0.06 0.67 -0.14 1.15 0.00 0.00 0.00 179.25 180.87 1xck h THR 261 N 1.07 1.25 -0.05 0.00 2.02 -1.10 -2.32 112.91 113.78 1xck h THR 261 Ca 0.22 -1.13 -0.03 0.00 0.77 0.00 0.00 66.41 66.23 1xck h THR 261 Cb 0.41 1.15 0.00 0.00 -1.74 0.00 0.00 68.15 67.97 1xck h THR 261 CO 0.01 0.37 -0.10 -0.07 0.37 0.00 0.00 175.52 176.10 1xck h LEU 262 N 0.55 0.18 -2.17 2.58 3.38 -0.96 -1.49 115.31 117.37 1xck h LEU 262 Ca 0.09 -0.56 0.06 0.00 0.09 0.00 0.00 57.88 57.56 1xck h LEU 262 Cb 0.56 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.26 1xck h LEU 262 CO 0.04 0.71 0.27 0.58 0.09 0.00 0.00 178.44 180.13 1xck h VAL 263 N -0.34 0.36 0.00 1.22 2.07 -1.01 -2.38 116.25 116.17 1xck h VAL 263 Ca 0.00 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.52 1xck h VAL 263 Cb 0.68 0.77 0.00 0.00 -1.52 0.00 0.00 31.29 31.22 1xck h VAL 263 CO 0.02 0.00 -0.03 0.58 0.02 0.00 0.00 177.57 178.16 1xck h VAL 264 N 0.00 0.00 -0.97 2.57 2.07 -1.25 -3.24 116.25 115.43 1xck h VAL 264 Ca 0.10 -0.11 0.31 0.00 0.82 0.00 0.00 66.70 67.82 1xck h VAL 264 Cb 0.64 0.00 -0.15 0.00 -1.52 0.00 0.00 31.29 30.26 1xck h VAL 264 CO -0.00 0.00 0.46 0.78 0.02 0.00 0.00 177.57 178.83 1xck h ASN 265 N -0.11 0.32 0.17 0.57 -0.26 -1.22 0.36 115.58 115.40 1xck h ASN 265 Ca 0.00 0.21 -0.19 0.00 -0.56 0.00 0.00 56.30 55.75 1xck h ASN 265 Cb 0.03 0.20 -0.00 0.00 -1.06 0.00 0.00 38.32 37.50 1xck h ASN 265 CO 0.00 -0.19 -0.74 0.71 -1.06 0.00 0.00 177.43 176.14 1xck h THR 266 N 0.24 1.36 0.00 2.81 1.35 -1.53 0.14 112.91 117.27 1xck h THR 266 Ca 0.70 -2.11 0.00 0.00 -0.55 0.00 0.00 66.41 64.45 1xck h THR 266 Cb 1.60 2.09 0.00 0.00 -1.73 0.00 0.00 68.15 70.11 1xck h THR 266 CO -0.66 0.64 0.00 0.80 -0.25 0.00 0.00 175.52 176.05 1xck n MET 267 N -3.86 0.64 0.00 4.72 0.00 0.12 -1.52 117.12 117.22 1xck n MET 267 Ca -0.05 0.00 0.00 0.00 -0.00 0.00 0.00 57.70 57.65 1xck n MET 267 Cb 0.72 -1.32 0.00 0.00 0.00 0.00 0.00 33.22 32.62 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 -0.82 1.55 -0.94 2.12 1.74 -0.73 -4.98 116.66 114.60 1xck n ARG 268 Ca 0.10 -1.07 0.00 0.00 -0.77 0.00 0.00 57.85 56.11 1xck n ARG 268 Cb 0.04 -0.91 0.00 0.00 -1.02 0.00 0.00 32.46 30.57 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 -0.30 0.66 2.57 -0.13 0.00 -0.57 -4.90 105.19 102.51 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 -2.29 4.32 -0.31 -0.61 5.41 0.44 -4.75 119.36 121.58 1xck n ILE 270 Ca 0.00 -3.45 0.00 0.00 1.00 0.00 0.00 62.75 60.30 1xck n ILE 270 Cb 0.04 -2.44 0.00 0.00 -0.71 0.00 0.00 39.64 36.52 1xck n ILE 270 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 176.55 177.07 1xck n VAL 271 N 3.50 -1.47 -2.47 1.39 0.31 -1.26 -4.37 118.33 113.96 1xck n VAL 271 Ca 0.60 0.00 -0.43 0.00 -0.01 0.00 0.00 64.34 64.51 1xck n VAL 271 Cb 0.30 -1.47 -0.02 0.00 -0.91 0.00 0.00 33.84 31.74 1xck n VAL 271 CO 0.00 0.00 0.00 -0.54 -1.32 0.00 0.00 176.83 174.97 1xck s LYS 272 N -3.31 4.28 0.02 5.55 3.01 -1.26 -3.85 119.74 124.18 1xck s LYS 272 Ca 0.00 1.62 -0.00 0.00 -1.01 0.00 0.00 55.97 56.58 1xck s LYS 272 Cb 0.00 -3.68 -0.02 0.00 -1.01 0.00 0.00 37.83 33.12 1xck s LYS 272 CO 0.00 -0.60 -0.03 0.08 0.51 0.00 0.00 175.35 175.31 1xck s VAL 273 N 3.01 0.11 -0.10 3.17 1.01 -1.26 -0.32 120.40 126.03 1xck s VAL 273 Ca 0.54 -0.87 -0.08 0.00 0.00 0.00 0.00 61.98 61.56 1xck s VAL 273 Cb -0.22 -0.25 0.03 0.00 0.00 0.00 0.00 36.38 35.94 1xck s VAL 273 CO 0.16 -0.48 0.26 0.00 0.00 0.00 0.00 175.10 175.04 1xck s ALA 274 N -1.41 -0.62 0.04 5.51 0.00 -0.38 -4.88 121.76 120.02 1xck s ALA 274 Ca -0.15 0.79 0.07 0.00 0.00 0.00 0.00 51.96 52.67 1xck s ALA 274 Cb -0.10 -0.47 -0.02 0.00 0.00 0.00 0.00 23.12 22.53 1xck s ALA 274 CO -0.01 -0.14 -0.21 0.00 0.00 0.00 0.00 175.76 175.40 1xck s ALA 275 N 0.38 1.77 0.02 0.00 0.00 -1.26 -0.11 121.76 122.55 1xck s ALA 275 Ca -0.02 -1.05 -0.11 0.00 0.00 0.00 0.00 51.96 50.78 1xck s ALA 275 Cb -0.04 -0.36 0.01 0.00 0.00 0.00 0.00 23.12 22.74 1xck s ALA 275 CO -0.02 0.40 0.23 0.14 0.00 0.00 0.00 175.76 176.51 1xck s VAL 276 N -0.76 0.08 0.64 0.00 -7.23 -0.48 -1.28 120.40 111.37 1xck s VAL 276 Ca 0.08 -0.70 -0.15 0.00 -1.81 0.00 0.00 61.98 59.39 1xck s VAL 276 Cb -0.09 -0.71 -0.01 0.00 0.56 0.00 0.00 36.38 36.13 1xck s VAL 276 CO 0.01 -0.38 1.10 -0.54 -0.31 0.00 0.00 175.10 174.99 1xck s LYS 277 N -1.91 2.92 0.46 4.82 1.02 -1.26 -3.10 119.74 122.69 1xck s LYS 277 Ca -0.10 1.39 -0.22 0.00 0.02 0.00 0.00 55.97 57.05 1xck s LYS 277 Cb -0.04 -1.97 -0.08 0.00 -0.52 0.00 0.00 37.83 35.23 1xck s LYS 277 CO -0.00 -1.15 1.13 0.00 -0.92 0.00 0.00 175.35 174.40 1xck s ALA 278 N -2.30 2.95 0.43 5.17 0.00 0.27 -4.79 121.76 123.49 1xck s ALA 278 Ca 0.67 0.85 -0.26 0.00 0.00 0.00 0.00 51.96 53.22 1xck s ALA 278 Cb -0.20 -3.35 -0.08 0.00 0.00 0.00 0.00 23.12 19.49 1xck s ALA 278 CO 0.39 -0.55 1.37 -1.25 0.00 0.00 0.00 175.76 175.72 1xck s PRO 279 N -2.78 3.81 2.05 0.00 0.04 -1.26 -4.83 135.00 132.03 1xck s PRO 279 Ca 0.64 2.30 0.00 0.00 0.04 0.00 0.00 61.00 63.98 1xck s PRO 279 Cb -0.26 -2.70 0.00 0.00 0.04 0.00 0.00 34.50 31.58 1xck s PRO 279 CO 0.31 -0.67 0.00 0.41 0.04 0.00 0.00 177.00 177.09 1xck n GLY 280 N 0.62 -0.86 3.41 0.56 0.00 -1.26 -4.39 105.19 103.26 1xck n GLY 280 Ca 0.04 -1.15 -0.10 0.00 0.00 0.00 0.00 46.02 44.82 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 0.42 0.00 1.61 -0.71 -1.26 -4.80 117.98 113.23 1xck s PHE 281 Ca 0.00 -0.76 0.00 0.00 -1.04 0.00 0.00 56.93 55.13 1xck s PHE 281 Cb 0.00 0.00 0.00 0.00 -1.21 0.00 0.00 43.02 41.81 1xck s PHE 281 CO 0.00 -0.81 0.00 0.41 -1.34 0.00 0.00 175.22 173.48 1xck n GLY 282 N -0.28 2.36 0.24 1.99 0.00 -1.26 -2.91 105.19 105.33 1xck n GLY 282 Ca -0.05 -0.46 -0.15 0.00 0.00 0.00 0.00 46.02 45.36 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 9.68 -0.46 -0.19 1.61 3.32 -2.01 -2.56 116.42 125.81 1xck h ASP 283 Ca 0.00 0.02 0.05 0.00 0.02 0.00 0.00 57.03 57.12 1xck h ASP 283 Cb 0.00 0.12 -0.01 0.00 0.22 0.00 0.00 39.33 39.66 1xck h ASP 283 CO 0.00 -0.33 0.28 0.08 -1.72 0.00 0.00 179.24 177.56 1xck h ARG 284 N -0.54 0.00 -0.28 3.56 0.11 -1.97 0.26 114.38 115.52 1xck h ARG 284 Ca -0.05 0.00 -0.12 0.00 0.10 0.00 0.00 59.98 59.90 1xck h ARG 284 Cb 0.41 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.48 1xck h ARG 284 CO 0.08 0.00 -0.33 -0.09 0.10 0.00 0.00 179.97 179.73 1xck h ARG 285 N 0.00 0.61 -0.06 0.08 2.43 -1.33 -1.31 114.38 114.81 1xck h ARG 285 Ca 0.09 -0.28 -0.19 0.00 -0.81 0.00 0.00 59.98 58.79 1xck h ARG 285 Cb 0.66 -0.01 -0.00 0.00 -0.42 0.00 0.00 29.97 30.19 1xck h ARG 285 CO -0.00 0.86 -0.79 0.87 -1.51 0.00 0.00 179.97 179.40 1xck h LYS 286 N 0.52 0.40 -0.42 0.20 1.57 -0.49 -2.23 116.57 116.11 1xck h LYS 286 Ca 0.06 -0.35 -0.06 0.00 -1.87 0.00 0.00 60.65 58.43 1xck h LYS 286 Cb 0.83 0.08 -0.02 0.00 0.08 0.00 0.00 32.23 33.20 1xck h LYS 286 CO 0.07 1.00 0.03 0.00 -0.57 0.00 0.00 179.45 179.99 1xck h ALA 287 N 0.89 0.56 -0.03 3.86 0.00 -1.15 -3.01 119.26 120.38 1xck h ALA 287 Ca -0.04 -0.24 -0.11 0.00 0.00 0.00 0.00 54.91 54.52 1xck h ALA 287 Cb 1.38 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 19.00 1xck h ALA 287 CO 0.13 0.31 -0.49 0.52 0.00 0.00 0.00 179.25 179.72 1xck h MET 288 N 0.56 0.08 -0.32 0.00 2.86 -1.23 -2.31 114.93 114.56 1xck h MET 288 Ca 0.12 -0.04 -0.04 0.00 -2.06 0.00 0.00 59.70 57.67 1xck h MET 288 Cb 0.43 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.07 1xck h MET 288 CO 0.01 0.56 0.00 -0.07 1.06 0.00 0.00 176.91 178.48 1xck h LEU 289 N 0.06 0.45 -0.28 1.22 3.38 -1.30 -1.04 115.31 117.82 1xck h LEU 289 Ca -0.00 -0.08 -0.18 0.00 0.09 0.00 0.00 57.88 57.71 1xck h LEU 289 Cb 0.90 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.53 1xck h LEU 289 CO 0.07 0.52 -0.52 -0.61 0.09 0.00 0.00 178.44 177.99 1xck h GLN 290 N 0.47 0.84 -0.42 1.13 5.75 -1.37 -1.66 115.11 119.86 1xck h GLN 290 Ca 0.10 -0.53 0.07 0.00 -0.15 0.00 0.00 58.65 58.14 1xck h GLN 290 Cb 0.30 0.06 -0.06 0.00 1.07 0.00 0.00 27.48 28.86 1xck h GLN 290 CO 0.01 1.17 0.08 -0.44 -2.65 0.00 0.00 178.83 176.99 1xck h ASP 291 N 0.61 -0.00 -0.83 -0.69 5.19 -0.80 0.17 116.42 120.06 1xck h ASP 291 Ca 0.01 0.07 -0.02 0.00 -0.62 0.00 0.00 57.03 56.48 1xck h ASP 291 Cb 1.13 0.10 -0.04 0.00 0.18 0.00 0.00 39.33 40.70 1xck h ASP 291 CO 0.12 0.03 0.44 0.40 -3.12 0.00 0.00 179.24 177.12 1xck h ILE 292 N 0.21 1.25 0.34 0.35 2.04 -1.13 -2.04 117.51 118.53 1xck h ILE 292 Ca 0.20 -0.64 -0.00 0.00 1.00 0.00 0.00 64.86 65.43 1xck h ILE 292 Cb 0.25 0.14 -0.03 0.00 -0.74 0.00 0.00 36.82 36.45 1xck h ILE 292 CO -0.27 0.28 -0.38 0.00 0.00 0.00 0.00 178.15 177.79 1xck h ALA 293 N 1.24 -0.79 -0.78 1.87 0.00 -0.06 -0.05 119.26 120.68 1xck h ALA 293 Ca 0.29 -0.12 0.14 0.00 0.00 0.00 0.00 54.91 55.22 1xck h ALA 293 Cb 0.05 0.55 -0.09 0.00 0.00 0.00 0.00 17.79 18.30 1xck h ALA 293 CO -0.04 -0.99 0.34 1.15 0.00 0.00 0.00 179.25 179.71 1xck h THR 294 N -0.75 0.68 -0.59 0.00 2.02 -0.54 0.36 112.91 114.08 1xck h THR 294 Ca -0.02 -0.17 -0.07 0.00 0.77 0.00 0.00 66.41 66.92 1xck h THR 294 Cb 0.69 0.14 -0.02 0.00 -1.74 0.00 0.00 68.15 67.21 1xck h THR 294 CO -0.09 0.09 0.10 0.25 0.37 0.00 0.00 175.52 176.24 1xck h LEU 295 N 0.50 0.94 -1.39 2.58 7.12 -0.92 -3.08 115.31 121.05 1xck h LEU 295 Ca 0.43 -0.26 0.00 0.00 0.13 0.00 0.00 57.88 58.18 1xck h LEU 295 Cb 0.64 -0.25 0.00 0.00 -0.53 0.00 0.00 40.66 40.52 1xck h LEU 295 CO -0.39 0.96 -0.00 0.35 -0.13 0.00 0.00 178.44 179.22 1xck n THR 296 N -4.31 0.00 -3.23 1.05 -2.24 -0.07 -0.72 114.28 104.76 1xck n THR 296 Ca 0.03 -0.36 -0.16 0.00 -2.27 0.00 0.00 64.05 61.29 1xck n THR 296 Cb 0.27 0.95 0.06 0.00 -2.10 0.00 0.00 70.33 69.52 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 1.26 -0.17 3.76 3.38 0.00 0.11 0.07 105.19 113.60 1xck n GLY 297 Ca 0.17 -0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.85 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 -3.56 3.05 -0.06 -0.02 0.00 -0.45 -4.45 107.32 101.85 1xck s GLY 298 Ca 0.26 -0.26 0.06 0.00 0.00 0.00 0.00 44.72 44.78 1xck s GLY 298 CO 0.55 -2.19 -0.23 -1.59 0.00 0.00 0.00 173.10 169.64 1xck s THR 299 N -2.91 1.91 -0.24 0.90 2.01 0.14 -4.51 115.64 112.93 1xck s THR 299 Ca 0.04 -0.98 -0.26 0.00 0.31 0.00 0.00 61.69 60.80 1xck s THR 299 Cb 0.01 -1.62 0.00 0.00 0.01 0.00 0.00 72.50 70.90 1xck s THR 299 CO 0.02 0.53 0.92 -0.69 -0.69 0.00 0.00 174.62 174.71 1xck s VAL 300 N -0.08 4.77 -0.86 3.82 1.01 -1.26 -4.49 120.40 123.31 1xck s VAL 300 Ca -0.05 1.76 -0.20 0.00 0.00 0.00 0.00 61.98 63.50 1xck s VAL 300 Cb -0.14 -4.20 0.11 0.00 0.00 0.00 0.00 36.38 32.16 1xck s VAL 300 CO 0.04 -0.12 1.10 -0.63 0.00 0.00 0.00 175.10 175.49 1xck s ILE 301 N 2.98 4.58 -0.15 2.22 1.01 0.72 -4.92 121.20 127.64 1xck s ILE 301 Ca 0.39 -1.22 -0.06 0.00 0.00 0.00 0.00 60.65 59.76 1xck s ILE 301 Cb -0.15 -4.77 -0.04 0.00 0.01 0.00 0.00 42.46 37.51 1xck s ILE 301 CO 0.07 -1.51 0.05 -0.94 0.00 0.00 0.00 174.94 172.61 1xck s SER 302 N 3.73 5.57 0.50 3.58 1.04 -1.26 -1.84 113.70 125.03 1xck s SER 302 Ca 0.30 0.13 0.20 0.00 0.48 0.00 0.00 55.95 57.07 1xck s SER 302 Cb -0.08 -1.85 1.28 0.00 0.10 0.00 0.00 66.02 65.48 1xck s SER 302 CO -0.04 0.26 2.09 -0.33 0.98 0.00 0.00 173.24 176.19 1xck h GLU 303 N 6.09 0.00 0.15 4.02 5.08 -1.77 -2.62 114.58 125.53 1xck h GLU 303 Ca -0.42 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.94 1xck h GLU 303 Cb 1.18 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.40 1xck h GLU 303 CO 0.64 0.10 -0.36 0.93 -1.00 0.00 0.00 179.01 179.32 1xck h GLU 304 N 0.00 -0.54 0.00 2.33 5.08 -1.91 0.15 114.58 119.69 1xck h GLU 304 Ca -0.00 0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.40 1xck h GLU 304 Cb 0.20 0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.58 1xck h GLU 304 CO 0.01 -0.36 0.00 -0.89 -1.00 0.00 0.00 179.01 176.77 1xck n ILE 305 N -4.53 0.32 -1.88 3.13 5.41 -1.18 -4.82 119.36 115.82 1xck n ILE 305 Ca -0.06 0.08 -0.01 0.00 1.00 0.00 0.00 62.75 63.76 1xck n ILE 305 Cb 0.29 -0.95 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 -0.53 0.57 3.63 7.39 0.00 0.53 -5.08 105.19 111.70 1xck n GLY 306 Ca 0.05 -0.35 -0.24 0.00 0.00 0.00 0.00 46.02 45.49 1xck n GLY 306 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1xck s MET 307 N -3.64 2.26 0.00 1.61 -1.94 -1.00 -5.02 119.30 111.58 1xck s MET 307 Ca 0.01 -1.37 0.03 0.00 -1.71 0.00 0.00 55.69 52.65 1xck s MET 307 Cb -0.00 -2.17 -0.01 0.00 2.01 0.00 0.00 34.83 34.65 1xck s MET 307 CO 0.04 0.38 -0.11 -1.21 -0.01 0.00 0.00 175.02 174.12 1xck s GLU 308 N -3.49 0.83 0.52 2.03 2.02 -1.26 -4.38 118.70 114.96 1xck s GLU 308 Ca 0.30 -0.45 0.27 0.00 0.02 0.00 0.00 54.97 55.11 1xck s GLU 308 Cb -0.07 -0.80 1.42 0.00 0.10 0.00 0.00 34.13 34.78 1xck s GLU 308 CO 0.19 0.21 2.06 -0.07 0.02 0.00 0.00 175.26 177.68 1xck h LEU 309 N 5.66 0.00 -1.15 1.80 3.38 -1.95 -1.74 115.31 121.31 1xck h LEU 309 Ca -0.33 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.58 1xck h LEU 309 Cb 1.18 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.92 1xck h LEU 309 CO 0.48 0.12 -0.28 -0.33 0.09 0.00 0.00 178.44 178.53 1xck h GLU 310 N 0.00 0.00 -0.56 1.13 3.07 -1.94 -2.74 114.58 113.55 1xck h GLU 310 Ca -0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 1xck h GLU 310 Cb 0.34 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.25 1xck h GLU 310 CO 0.02 0.28 0.00 1.63 -1.40 0.00 0.00 179.01 179.53 1xck n LYS 311 N -3.51 3.78 -3.42 2.33 5.02 -0.67 -4.83 118.16 116.86 1xck n LYS 311 Ca -0.00 -2.87 -0.38 0.00 -2.02 0.00 0.00 58.31 53.04 1xck n LYS 311 Cb 0.43 -1.90 -0.06 0.00 -0.02 0.00 0.00 35.03 33.48 1xck n LYS 311 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1xck s ALA 312 N -2.08 3.57 0.36 7.82 0.00 -1.03 -4.95 121.76 125.45 1xck s ALA 312 Ca 0.48 -0.25 0.08 0.00 0.00 0.00 0.00 51.96 52.27 1xck s ALA 312 Cb 0.33 -2.52 -0.05 0.00 0.00 0.00 0.00 23.12 20.88 1xck s ALA 312 CO 0.20 0.16 0.11 0.95 0.00 0.00 0.00 175.76 177.19 1xck s THR 313 N 0.08 2.68 0.55 0.00 -4.23 -1.26 -4.43 115.64 109.04 1xck s THR 313 Ca 0.23 -1.79 0.33 0.00 -1.18 0.00 0.00 61.69 59.29 1xck s THR 313 Cb -0.15 -2.93 0.49 0.00 1.34 0.00 0.00 72.50 71.25 1xck s THR 313 CO 0.10 -0.13 1.83 -0.07 -0.54 0.00 0.00 174.62 175.81 1xck h LEU 314 N 1.60 0.00 -1.68 4.79 3.38 -1.93 0.25 115.31 121.71 1xck h LEU 314 Ca -0.43 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.54 1xck h LEU 314 Cb 1.25 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.99 1xck h LEU 314 CO 0.66 0.00 0.20 -0.08 0.09 0.00 0.00 178.44 179.31 1xck h GLU 315 N 0.00 0.41 0.00 1.13 4.81 -2.00 -1.79 114.58 117.14 1xck h GLU 315 Ca 0.44 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.64 1xck h GLU 315 Cb 1.87 -0.09 0.00 0.00 0.63 0.00 0.00 28.75 31.16 1xck h GLU 315 CO -0.00 0.28 0.00 -0.44 -0.73 0.00 0.00 179.01 178.11 1xck h ASP 316 N 0.42 0.00 -3.89 1.04 3.32 -0.88 -3.44 116.42 112.99 1xck h ASP 316 Ca 0.11 0.00 -0.51 0.00 0.02 0.00 0.00 57.03 56.65 1xck h ASP 316 Cb -0.03 0.00 0.04 0.00 0.22 0.00 0.00 39.33 39.56 1xck h ASP 316 CO -0.02 0.00 0.52 -0.76 -1.72 0.00 0.00 179.24 177.26 1xck s LEU 317 N -5.89 4.36 0.00 1.55 1.02 -0.67 0.23 118.68 119.28 1xck s LEU 317 Ca 0.08 2.39 -0.12 0.00 0.02 0.00 0.00 54.13 56.50 1xck s LEU 317 Cb 0.06 -3.81 0.19 0.00 0.02 0.00 0.00 46.19 42.66 1xck s LEU 317 CO 0.65 -0.46 1.19 0.61 0.02 0.00 0.00 176.35 178.36 1xck n GLY 318 N 0.84 -0.92 3.43 -3.19 0.00 0.03 -4.41 105.19 100.97 1xck n GLY 318 Ca 0.02 -1.79 -0.16 0.00 0.00 0.00 0.00 46.02 44.08 1xck n GLY 318 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1xck s GLN 319 N -5.57 0.95 0.04 1.61 0.74 0.11 -1.01 119.66 116.52 1xck s GLN 319 Ca 0.70 0.07 -0.28 0.00 0.05 0.00 0.00 55.36 55.91 1xck s GLN 319 Cb -0.02 0.44 0.07 0.00 1.10 0.00 0.00 33.01 34.60 1xck s GLN 319 CO 0.48 -0.29 0.65 0.00 -0.55 0.00 0.00 175.29 175.58 1xck s ALA 320 N -1.38 -1.70 0.31 1.58 0.00 -1.18 -1.33 121.76 118.06 1xck s ALA 320 Ca -0.11 0.97 0.28 0.00 0.00 0.00 0.00 51.96 53.10 1xck s ALA 320 Cb -0.02 0.37 1.36 0.00 0.00 0.00 0.00 23.12 24.84 1xck s ALA 320 CO 0.07 -0.54 2.01 0.87 0.00 0.00 0.00 175.76 178.17 1xck h LYS 321 N 2.57 0.00 -1.21 0.00 1.57 -1.03 -2.91 116.57 115.56 1xck h LYS 321 Ca -0.30 0.00 0.16 0.00 -1.87 0.00 0.00 60.65 58.64 1xck h LYS 321 Cb 1.21 0.00 -0.31 0.00 0.08 0.00 0.00 32.23 33.21 1xck h LYS 321 CO 0.39 0.13 0.74 0.50 -0.57 0.00 0.00 179.45 180.63 1xck s ARG 322 N -3.96 0.17 0.03 3.15 3.52 -1.13 -0.85 118.95 119.88 1xck s ARG 322 Ca -0.01 0.23 0.05 0.00 -0.13 0.00 0.00 55.73 55.86 1xck s ARG 322 Cb 0.12 0.07 -0.02 0.00 -1.56 0.00 0.00 34.95 33.56 1xck s ARG 322 CO 0.58 -0.02 -0.15 0.14 -0.81 0.00 0.00 175.30 175.04 1xck s VAL 323 N 0.32 1.17 -0.08 7.11 -7.23 -0.66 -0.31 120.40 120.72 1xck s VAL 323 Ca 0.03 -0.95 0.01 0.00 -1.81 0.00 0.00 61.98 59.26 1xck s VAL 323 Cb -0.04 -1.04 0.02 0.00 0.56 0.00 0.00 36.38 35.87 1xck s VAL 323 CO -0.13 0.08 -0.10 -0.69 -0.31 0.00 0.00 175.10 173.96 1xck s VAL 324 N -0.75 1.03 -0.11 1.32 1.01 -0.22 -2.18 120.40 120.50 1xck s VAL 324 Ca 0.03 -0.37 0.01 0.00 0.00 0.00 0.00 61.98 61.66 1xck s VAL 324 Cb -0.07 -1.00 -0.01 0.00 0.00 0.00 0.00 36.38 35.30 1xck s VAL 324 CO 0.01 0.35 -0.16 -0.63 0.00 0.00 0.00 175.10 174.66 1xck s ILE 325 N 1.10 2.76 0.00 2.22 1.01 -0.35 -0.73 121.20 127.22 1xck s ILE 325 Ca -0.06 -0.77 0.00 0.00 0.00 0.00 0.00 60.65 59.81 1xck s ILE 325 Cb -0.14 -2.12 0.00 0.00 0.01 0.00 0.00 42.46 40.20 1xck s ILE 325 CO -0.01 0.54 0.00 0.59 0.00 0.00 0.00 174.94 176.06 1xck n ASN 326 N 3.40 0.33 0.16 3.58 3.02 0.34 -0.68 115.26 125.42 1xck n ASN 326 Ca -0.18 -0.54 0.02 0.00 -0.03 0.00 0.00 54.58 53.85 1xck n ASN 326 Cb 0.53 0.00 0.26 0.00 -0.61 0.00 0.00 39.78 39.96 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 -1.79 116.57 120.01 1xck h LYS 327 Ca 0.00 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.37 1xck h LYS 327 Cb 0.00 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 31.79 1xck h LYS 327 CO 0.00 0.49 -0.40 -0.40 -2.27 0.00 0.00 179.45 176.87 1xck n ASP 328 N -3.71 0.04 -3.76 4.20 5.68 -1.26 -3.98 116.55 113.76 1xck n ASP 328 Ca -0.01 -1.74 -0.13 0.00 -0.50 0.00 0.00 54.79 52.41 1xck n ASP 328 Cb 0.55 -0.14 -0.14 0.00 -1.14 0.00 0.00 41.12 40.25 1xck n ASP 328 CO 0.00 0.00 0.00 -0.89 -1.33 0.00 0.00 177.20 174.98 1xck s THR 329 N 0.00 -0.04 -0.14 2.12 2.01 -1.03 -2.35 115.64 116.21 1xck s THR 329 Ca 0.02 0.15 0.01 0.00 0.31 0.00 0.00 61.69 62.18 1xck s THR 329 Cb 0.02 -0.26 -0.00 0.00 0.01 0.00 0.00 72.50 72.27 1xck s THR 329 CO -0.01 0.06 -0.18 -0.89 -0.69 0.00 0.00 174.62 172.91 1xck s THR 330 N 1.00 2.52 -0.12 -0.82 2.01 -0.11 0.13 115.64 120.26 1xck s THR 330 Ca -0.08 -0.83 -0.02 0.00 0.31 0.00 0.00 61.69 61.08 1xck s THR 330 Cb -0.10 -2.04 0.04 0.00 0.01 0.00 0.00 72.50 70.41 1xck s THR 330 CO -0.05 0.53 -0.00 0.28 -0.69 0.00 0.00 174.62 174.69 1xck s THR 331 N 0.63 0.55 -0.22 -0.82 -1.32 0.09 -0.92 115.64 113.63 1xck s THR 331 Ca -0.09 -0.18 -0.20 0.00 -1.21 0.00 0.00 61.69 60.00 1xck s THR 331 Cb -0.16 -0.80 -0.02 0.00 -1.51 0.00 0.00 72.50 70.01 1xck s THR 331 CO 0.03 0.13 0.59 -0.63 -2.21 0.00 0.00 174.62 172.53 1xck s ILE 332 N 1.88 5.03 -0.23 5.08 1.01 0.14 -1.05 121.20 133.06 1xck s ILE 332 Ca 0.03 1.09 -0.05 0.00 0.00 0.00 0.00 60.65 61.72 1xck s ILE 332 Cb -0.14 -3.91 -0.01 0.00 0.01 0.00 0.00 42.46 38.41 1xck s ILE 332 CO -0.07 0.10 -0.01 -0.63 0.00 0.00 0.00 174.94 174.33 1xck s ILE 333 N 2.06 3.60 -0.36 2.92 1.01 0.57 -1.62 121.20 129.38 1xck s ILE 333 Ca 0.26 -0.45 -0.13 0.00 0.00 0.00 0.00 60.65 60.33 1xck s ILE 333 Cb -0.16 -2.67 0.02 0.00 0.01 0.00 0.00 42.46 39.66 1xck s ILE 333 CO 0.10 0.37 0.48 -0.67 0.00 0.00 0.00 174.94 175.22 1xck n ASP 334 N 4.83 -7.14 -4.82 3.58 2.03 0.19 -2.66 116.55 112.56 1xck n ASP 334 Ca -0.17 0.52 -0.36 0.00 0.52 0.00 0.00 54.79 55.30 1xck n ASP 334 Cb 0.51 -4.79 -0.06 0.00 -0.72 0.00 0.00 41.12 36.06 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 -2.32 2.56 0.00 0.27 0.00 -0.93 -1.50 107.32 105.41 1xck s GLY 335 Ca 0.20 0.11 0.13 0.00 0.00 0.00 0.00 44.72 45.17 1xck s GLY 335 CO 0.66 0.44 1.32 -0.62 0.00 0.00 0.00 173.10 174.90 1xck n VAL 336 N 0.60 0.48 -1.48 1.40 0.31 -0.44 -4.83 118.33 114.37 1xck n VAL 336 Ca -0.02 0.12 -0.44 0.00 -0.01 0.00 0.00 64.34 63.99 1xck n VAL 336 Cb 0.51 -0.90 -0.01 0.00 -0.91 0.00 0.00 33.84 32.53 1xck n VAL 336 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1xck n GLY 337 N -0.15 -1.15 3.70 2.92 0.00 0.10 -4.73 105.19 105.88 1xck n GLY 337 Ca 0.07 0.22 -0.42 0.00 0.00 0.00 0.00 46.02 45.89 1xck n GLY 337 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1xck s GLU 338 N -1.41 4.45 0.57 1.61 0.41 -1.26 -4.90 118.70 118.16 1xck s GLU 338 Ca 0.62 1.62 0.37 0.00 -0.41 0.00 0.00 54.97 57.16 1xck s GLU 338 Cb -0.72 -3.44 1.48 0.00 -1.78 0.00 0.00 34.13 29.66 1xck s GLU 338 CO 0.58 -0.24 1.69 0.93 -0.49 0.00 0.00 175.26 177.73 1xck h GLU 339 N 6.96 0.00 0.14 1.61 4.39 -1.97 0.35 114.58 126.07 1xck h GLU 339 Ca -0.39 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.30 1xck h GLU 339 Cb 1.20 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.85 1xck h GLU 339 CO 0.81 0.00 -0.07 0.00 -1.16 0.00 0.00 179.01 178.59 1xck h ALA 340 N 1.19 -0.19 0.12 3.43 0.00 -1.98 -2.12 119.26 119.71 1xck h ALA 340 Ca 0.57 -0.23 0.02 0.00 0.00 0.00 0.00 54.91 55.27 1xck h ALA 340 Cb 2.51 0.07 -0.03 0.00 0.00 0.00 0.00 17.79 20.34 1xck h ALA 340 CO -0.01 -0.26 -0.27 0.00 0.00 0.00 0.00 179.25 178.72 1xck h ALA 341 N -0.35 -0.46 0.54 0.00 0.00 -0.77 0.27 119.26 118.49 1xck h ALA 341 Ca -0.02 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.83 1xck h ALA 341 Cb 0.52 0.43 -0.01 0.00 0.00 0.00 0.00 17.79 18.73 1xck h ALA 341 CO 0.03 -0.81 -0.45 0.82 0.00 0.00 0.00 179.25 178.84 1xck h ILE 342 N -0.48 0.00 -0.27 0.00 2.04 -1.21 0.62 117.51 118.21 1xck h ILE 342 Ca 0.03 0.00 0.08 0.00 1.00 0.00 0.00 64.86 65.97 1xck h ILE 342 Cb 0.51 0.00 -0.01 0.00 -0.74 0.00 0.00 36.82 36.57 1xck h ILE 342 CO -0.15 0.00 0.22 -0.61 0.00 0.00 0.00 178.15 177.60 1xck h GLN 343 N -0.96 0.00 -0.20 2.37 5.75 -1.32 0.18 115.11 120.93 1xck h GLN 343 Ca -0.07 0.00 -0.15 0.00 -0.15 0.00 0.00 58.65 58.28 1xck h GLN 343 Cb 0.81 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 29.36 1xck h GLN 343 CO -0.01 0.00 -0.51 0.78 -2.65 0.00 0.00 178.83 176.44 1xck h GLY 344 N 0.00 0.60 1.05 2.39 0.00 0.27 -2.70 103.07 104.68 1xck h GLY 344 Ca 0.13 -0.67 -0.11 0.00 0.00 0.00 0.00 47.33 46.68 1xck h GLY 344 CO -0.00 0.60 -0.11 -0.09 0.00 0.00 0.00 176.54 176.94 1xck h ARG 345 N 0.43 0.92 0.00 4.80 9.65 0.16 -2.31 114.38 128.04 1xck h ARG 345 Ca 0.02 -0.35 -0.01 0.00 -1.10 0.00 0.00 59.98 58.54 1xck h ARG 345 Cb 1.04 -0.05 -0.00 0.00 -1.39 0.00 0.00 29.97 29.56 1xck h ARG 345 CO 0.10 1.01 -0.04 0.28 2.80 0.00 0.00 179.97 184.12 1xck h VAL 346 N 0.77 0.79 0.40 0.20 2.07 -1.08 -2.50 116.25 116.90 1xck h VAL 346 Ca 0.12 -0.14 -0.02 0.00 0.82 0.00 0.00 66.70 67.48 1xck h VAL 346 Cb 0.67 1.08 0.00 0.00 -1.52 0.00 0.00 31.29 31.52 1xck h VAL 346 CO 0.05 0.04 -0.19 0.00 0.02 0.00 0.00 177.57 177.48 1xck h ALA 347 N 1.96 -0.54 0.11 1.67 0.00 -1.09 -0.51 119.26 120.86 1xck h ALA 347 Ca -0.00 -0.19 0.02 0.00 0.00 0.00 0.00 54.91 54.74 1xck h ALA 347 Cb 0.08 0.21 -0.04 0.00 0.00 0.00 0.00 17.79 18.04 1xck h ALA 347 CO 0.00 -0.63 -0.33 1.96 0.00 0.00 0.00 179.25 180.26 1xck h GLN 348 N -0.89 -0.53 -0.88 0.00 4.20 -1.35 0.13 115.11 115.78 1xck h GLN 348 Ca -0.06 0.04 0.16 0.00 0.06 0.00 0.00 58.65 58.85 1xck h GLN 348 Cb 0.55 0.12 -0.07 0.00 0.30 0.00 0.00 27.48 28.38 1xck h GLN 348 CO 0.09 -0.35 0.57 0.82 -0.67 0.00 0.00 178.83 179.29 1xck h ILE 349 N -0.55 0.78 0.00 2.54 2.04 -1.51 0.72 117.51 121.53 1xck h ILE 349 Ca 0.03 -0.20 0.00 0.00 1.00 0.00 0.00 64.86 65.69 1xck h ILE 349 Cb 0.58 0.14 0.00 0.00 -0.74 0.00 0.00 36.82 36.81 1xck h ILE 349 CO -0.20 0.11 0.00 -0.09 0.00 0.00 0.00 178.15 177.97 1xck h ARG 350 N 0.58 0.00 0.16 2.37 2.43 0.08 -2.83 114.38 117.17 1xck h ARG 350 Ca 0.45 0.00 -0.27 0.00 -0.81 0.00 0.00 59.98 59.36 1xck h ARG 350 Cb 0.87 0.00 0.01 0.00 -0.42 0.00 0.00 29.97 30.44 1xck h ARG 350 CO -0.20 0.00 -1.27 0.37 -1.51 0.00 0.00 179.97 177.36 1xck h GLN 351 N 0.00 0.34 -0.88 0.20 -0.00 0.29 -3.32 115.11 111.74 1xck h GLN 351 Ca 0.00 -0.58 0.13 0.00 -0.00 0.00 0.00 58.65 58.20 1xck h GLN 351 Cb 0.71 0.21 -0.09 0.00 0.00 0.00 0.00 27.48 28.32 1xck h GLN 351 CO 0.00 1.28 0.50 1.96 0.00 0.00 0.00 178.83 182.57 1xck h GLN 352 N -0.19 0.74 -0.35 1.69 1.08 -0.27 -0.08 115.11 117.73 1xck h GLN 352 Ca -0.25 -0.04 0.10 0.00 -1.45 0.00 0.00 58.65 57.01 1xck h GLN 352 Cb 1.84 -0.17 -0.01 0.00 -0.05 0.00 0.00 27.48 29.09 1xck h GLN 352 CO 0.14 0.49 0.25 0.82 -0.95 0.00 0.00 178.83 179.59 1xck h ILE 353 N 0.76 0.80 0.01 2.54 2.04 -1.60 -0.65 117.51 121.42 1xck h ILE 353 Ca 0.46 0.00 -0.05 0.00 1.00 0.00 0.00 64.86 66.26 1xck h ILE 353 Cb 0.54 0.82 0.00 0.00 -0.74 0.00 0.00 36.82 37.45 1xck h ILE 353 CO -0.31 0.00 -0.22 -0.33 0.00 0.00 0.00 178.15 177.30 1xck h GLU 354 N 0.00 0.13 -0.26 2.37 4.39 -1.14 -3.14 114.58 116.93 1xck h GLU 354 Ca 0.16 -0.15 0.00 0.00 0.34 0.00 0.00 59.36 59.71 1xck h GLU 354 Cb 0.67 0.05 0.00 0.00 -0.10 0.00 0.00 28.75 29.37 1xck h GLU 354 CO -0.00 0.94 0.00 0.39 -1.16 0.00 0.00 179.01 179.18 1xck n GLU 355 N -4.52 0.82 -2.45 2.33 1.02 -0.74 -4.79 120.64 112.31 1xck n GLU 355 Ca -0.10 0.00 -0.43 0.00 -0.02 0.00 0.00 57.16 56.61 1xck n GLU 355 Cb 0.51 -1.13 -0.02 0.00 -0.02 0.00 0.00 31.44 30.78 1xck n GLU 355 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1xck s ALA 356 N -1.69 3.66 -1.31 0.62 0.00 -0.33 -4.90 121.76 117.81 1xck s ALA 356 Ca 0.00 0.43 0.25 0.00 0.00 0.00 0.00 51.96 52.65 1xck s ALA 356 Cb 0.00 -3.61 0.56 0.00 0.00 0.00 0.00 23.12 20.07 1xck s ALA 356 CO 0.00 -1.15 1.45 0.25 0.00 0.00 0.00 175.76 176.31 1xck n THR 357 N 5.34 0.00 -4.20 0.00 -2.24 -1.26 -4.93 114.28 106.99 1xck n THR 357 Ca 0.14 -0.05 -0.12 0.00 -2.27 0.00 0.00 64.05 61.74 1xck n THR 357 Cb 0.45 0.36 -0.10 0.00 -2.10 0.00 0.00 70.33 68.94 1xck n THR 357 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1xck s SER 358 N -2.80 0.82 -0.10 3.42 0.15 -1.26 -5.08 113.70 108.85 1xck s SER 358 Ca 0.16 -1.20 -0.27 0.00 0.70 0.00 0.00 55.95 55.34 1xck s SER 358 Cb 0.18 0.20 -0.25 0.00 -1.71 0.00 0.00 66.02 64.44 1xck s SER 358 CO 0.63 -0.65 0.90 0.44 1.20 0.00 0.00 173.24 175.76 1xck h ASP 359 N 2.75 0.07 -0.61 5.45 3.32 -1.99 -2.95 116.42 122.47 1xck h ASP 359 Ca -0.36 -0.88 0.13 0.00 0.02 0.00 0.00 57.03 55.93 1xck h ASP 359 Cb 1.20 -0.02 -0.11 0.00 0.22 0.00 0.00 39.33 40.63 1xck h ASP 359 CO 0.61 0.94 -0.04 0.22 -1.72 0.00 0.00 179.24 179.25 1xck h TYR 360 N -0.80 -0.12 0.00 4.55 3.20 -1.99 0.80 116.97 122.60 1xck h TYR 360 Ca -0.01 0.05 -0.02 0.00 3.14 0.00 0.00 58.73 61.89 1xck h TYR 360 Cb 0.96 0.15 -0.00 0.00 1.54 0.00 0.00 36.73 39.38 1xck h TYR 360 CO 0.23 -0.19 -0.09 -0.44 -1.64 0.00 0.00 178.16 176.03 1xck h ASP 361 N 0.08 0.00 0.04 -2.11 5.19 -1.99 -1.51 116.42 116.10 1xck h ASP 361 Ca 0.31 0.00 -0.09 0.00 -0.62 0.00 0.00 57.03 56.64 1xck h ASP 361 Cb 0.50 0.00 0.01 0.00 0.18 0.00 0.00 39.33 40.02 1xck h ASP 361 CO -0.55 0.09 -0.36 -0.09 -3.12 0.00 0.00 179.24 175.21 1xck h ARG 362 N 0.00 0.18 0.26 3.56 2.43 0.57 -2.96 114.38 118.41 1xck h ARG 362 Ca -0.00 -0.24 0.01 0.00 -0.81 0.00 0.00 59.98 58.94 1xck h ARG 362 Cb 0.20 0.08 -0.03 0.00 -0.42 0.00 0.00 29.97 29.80 1xck h ARG 362 CO 0.01 1.04 -0.31 0.93 -1.51 0.00 0.00 179.97 180.12 1xck h GLU 363 N -0.57 -0.60 -0.89 0.20 4.39 0.06 -1.77 114.58 115.40 1xck h GLU 363 Ca -0.05 0.04 0.15 0.00 0.34 0.00 0.00 59.36 59.84 1xck h GLU 363 Cb 1.19 0.14 -0.07 0.00 -0.10 0.00 0.00 28.75 29.90 1xck h GLU 363 CO 0.07 -0.40 0.58 0.87 -1.16 0.00 0.00 179.01 178.97 1xck h LYS 364 N -0.62 0.63 -0.18 2.33 1.79 -1.41 -1.10 116.57 118.01 1xck h LYS 364 Ca -0.00 -0.04 -0.19 0.00 -2.18 0.00 0.00 60.65 58.24 1xck h LYS 364 Cb 0.59 -0.14 -0.00 0.00 -1.58 0.00 0.00 32.23 31.10 1xck h LYS 364 CO -0.10 0.41 -0.65 -0.07 -1.08 0.00 0.00 179.45 177.97 1xck h LEU 365 N 0.65 0.76 -1.05 2.94 3.38 -1.29 -2.92 115.31 117.78 1xck h LEU 365 Ca 0.45 -0.45 -0.05 0.00 0.09 0.00 0.00 57.88 57.93 1xck h LEU 365 Cb 0.80 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 41.30 1xck h LEU 365 CO -0.21 1.21 0.16 1.56 0.09 0.00 0.00 178.44 181.25 1xck h GLN 366 N 0.48 0.84 -0.77 1.13 1.08 -0.39 -1.96 115.11 115.52 1xck h GLN 366 Ca -0.01 -0.16 0.01 0.00 -1.45 0.00 0.00 58.65 57.04 1xck h GLN 366 Cb 1.23 -0.13 -0.04 0.00 -0.05 0.00 0.00 27.48 28.49 1xck h GLN 366 CO 0.13 0.74 0.50 0.93 -0.95 0.00 0.00 178.83 180.18 1xck h GLU 367 N 0.81 0.99 -0.39 1.46 5.08 -1.12 -0.50 114.58 120.90 1xck h GLU 367 Ca 0.18 -0.06 -0.07 0.00 -1.00 0.00 0.00 59.36 58.41 1xck h GLU 367 Cb 0.26 -0.22 -0.01 0.00 0.50 0.00 0.00 28.75 29.28 1xck h GLU 367 CO -0.01 0.65 -0.03 0.00 -1.00 0.00 0.00 179.01 178.63 1xck h ARG 368 N 1.02 0.71 -0.54 2.33 3.08 -1.21 -2.23 114.38 117.54 1xck h ARG 368 Ca 0.29 -0.24 -0.11 0.00 0.07 0.00 0.00 59.98 59.99 1xck h ARG 368 Cb -0.09 -0.06 -0.02 0.00 0.08 0.00 0.00 29.97 29.89 1xck h ARG 368 CO -0.07 0.82 -0.08 -0.39 -1.07 0.00 0.00 179.97 179.17 1xck h VAL 369 N 0.53 1.27 -0.75 2.04 -1.51 -1.18 -2.39 116.25 114.25 1xck h VAL 369 Ca 0.11 -1.23 0.12 0.00 -1.23 0.00 0.00 66.70 64.46 1xck h VAL 369 Cb 0.52 0.96 -0.08 0.00 -2.13 0.00 0.00 31.29 30.56 1xck h VAL 369 CO 0.03 0.44 0.35 0.00 -1.23 0.00 0.00 177.57 177.15 1xck h ALA 370 N 0.93 1.06 0.15 5.19 0.00 -0.95 0.42 119.26 126.06 1xck h ALA 370 Ca 0.14 0.08 -0.01 0.00 0.00 0.00 0.00 54.91 55.12 1xck h ALA 370 Cb 0.65 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.44 1xck h ALA 370 CO 0.04 -0.11 -0.07 0.87 0.00 0.00 0.00 179.25 179.98 1xck h LYS 371 N 0.55 -0.19 0.82 0.00 1.57 -1.20 -0.06 116.57 118.06 1xck h LYS 371 Ca 0.39 0.01 -0.04 0.00 -1.87 0.00 0.00 60.65 59.14 1xck h LYS 371 Cb 0.50 0.04 0.01 0.00 0.08 0.00 0.00 32.23 32.86 1xck h LYS 371 CO -0.33 0.11 -0.39 1.25 -0.57 0.00 0.00 179.45 179.51 1xck h LEU 372 N -0.49 -0.93 -1.13 2.94 5.85 -0.97 -3.14 115.31 117.45 1xck h LEU 372 Ca -0.02 0.03 -0.09 0.00 0.84 0.00 0.00 57.88 58.64 1xck h LEU 372 Cb 0.38 0.24 -0.01 0.00 0.37 0.00 0.00 40.66 41.64 1xck h LEU 372 CO 0.03 -0.58 -0.42 0.00 -0.34 0.00 0.00 178.44 177.13 1xck h ALA 373 N -1.33 1.23 -0.20 1.25 0.00 -0.31 -3.30 119.26 116.61 1xck h ALA 373 Ca -0.11 -0.38 -0.00 0.00 0.00 0.00 0.00 54.91 54.42 1xck h ALA 373 Cb 0.84 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.55 1xck h ALA 373 CO 0.18 0.52 0.13 0.78 0.00 0.00 0.00 179.25 180.87 1xck h GLY 374 N 1.40 0.29 0.00 0.00 0.00 -1.03 -3.49 103.07 100.24 1xck h GLY 374 Ca -0.00 -0.12 0.00 0.00 0.00 0.00 0.00 47.33 47.21 1xck h GLY 374 CO 0.05 0.11 0.00 0.61 0.00 0.00 0.00 176.54 177.32 1xck n GLY 375 N -1.07 -1.77 2.85 4.60 0.00 -1.19 -4.94 105.19 103.68 1xck n GLY 375 Ca -0.03 -1.58 -0.15 0.00 0.00 0.00 0.00 46.02 44.25 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 -0.13 0.17 1.61 1.01 -0.07 -4.49 120.40 118.50 1xck s VAL 376 Ca 0.00 0.27 -0.28 0.00 0.00 0.00 0.00 61.98 61.97 1xck s VAL 376 Cb 0.00 -0.23 -0.08 0.00 0.00 0.00 0.00 36.38 36.07 1xck s VAL 376 CO 0.00 0.11 0.87 0.00 0.00 0.00 0.00 175.10 176.08 1xck s ALA 377 N 1.64 3.36 -0.19 5.51 0.00 0.27 -0.34 121.76 132.01 1xck s ALA 377 Ca -0.04 0.48 0.01 0.00 0.00 0.00 0.00 51.96 52.41 1xck s ALA 377 Cb -0.12 -3.11 0.04 0.00 0.00 0.00 0.00 23.12 19.93 1xck s ALA 377 CO -0.05 0.17 -0.09 0.08 0.00 0.00 0.00 175.76 175.87 1xck s VAL 378 N -0.80 1.55 -0.31 0.00 1.01 -0.40 -0.75 120.40 120.70 1xck s VAL 378 Ca 0.40 -0.94 -0.13 0.00 0.00 0.00 0.00 61.98 61.31 1xck s VAL 378 Cb -0.24 -1.64 -0.03 0.00 0.00 0.00 0.00 36.38 34.47 1xck s VAL 378 CO 0.28 0.16 0.29 -0.63 0.00 0.00 0.00 175.10 175.21 1xck s ILE 379 N 1.44 5.24 -0.32 2.22 1.01 0.37 -2.57 121.20 128.58 1xck s ILE 379 Ca -0.01 0.11 -0.11 0.00 0.00 0.00 0.00 60.65 60.64 1xck s ILE 379 Cb -0.16 -3.69 -0.01 0.00 0.01 0.00 0.00 42.46 38.60 1xck s ILE 379 CO -0.08 0.07 0.19 -0.54 0.00 0.00 0.00 174.94 174.57 1xck s LYS 380 N 1.88 3.43 -0.20 2.79 1.02 0.27 -0.28 119.74 128.66 1xck s LYS 380 Ca 0.10 -0.67 -0.28 0.00 0.02 0.00 0.00 55.97 55.14 1xck s LYS 380 Cb -0.16 -3.66 0.00 0.00 -0.52 0.00 0.00 37.83 33.49 1xck s LYS 380 CO 0.11 -0.41 0.99 0.08 -0.92 0.00 0.00 175.35 175.20 1xck s VAL 381 N 1.66 4.74 0.32 3.17 1.01 -0.64 -1.14 120.40 129.52 1xck s VAL 381 Ca 0.05 1.96 0.03 0.00 0.00 0.00 0.00 61.98 64.01 1xck s VAL 381 Cb -0.17 -4.28 -0.03 0.00 0.00 0.00 0.00 36.38 31.90 1xck s VAL 381 CO 0.08 -0.11 0.49 -0.83 0.00 0.00 0.00 175.10 174.73 1xck s GLY 382 N 1.18 1.34 0.07 4.51 0.00 -1.26 -1.40 107.32 111.76 1xck s GLY 382 Ca 0.44 -1.08 -0.28 0.00 0.00 0.00 0.00 44.72 43.80 1xck s GLY 382 CO 0.10 -1.04 1.13 0.00 0.00 0.00 0.00 173.10 173.29 1xck s ALA 383 N -2.21 -1.95 0.10 3.20 0.00 -1.01 -4.55 121.76 115.34 1xck s ALA 383 Ca 0.39 0.38 -0.02 0.00 0.00 0.00 0.00 51.96 52.71 1xck s ALA 383 Cb -0.09 0.51 -0.21 0.00 0.00 0.00 0.00 23.12 23.33 1xck s ALA 383 CO 0.33 -1.05 1.21 0.00 0.00 0.00 0.00 175.76 176.25 1xck h ALA 384 N 2.00 0.22 -2.50 0.00 0.00 -1.95 -3.05 119.26 113.97 1xck h ALA 384 Ca -0.27 -0.84 -0.39 0.00 0.00 0.00 0.00 54.91 53.41 1xck h ALA 384 Cb 1.22 -0.03 -0.16 0.00 0.00 0.00 0.00 17.79 18.82 1xck h ALA 384 CO 0.27 0.98 -0.74 0.95 0.00 0.00 0.00 179.25 180.71 1xck s THR 385 N -2.82 1.34 0.30 0.00 -4.23 -1.26 -4.95 115.64 104.03 1xck s THR 385 Ca -0.03 -1.94 -0.01 0.00 -1.18 0.00 0.00 61.69 58.52 1xck s THR 385 Cb 0.08 -1.75 0.27 0.00 1.34 0.00 0.00 72.50 72.44 1xck s THR 385 CO 0.87 -0.58 1.96 -0.08 -0.54 0.00 0.00 174.62 176.24 1xck h GLU 386 N 3.05 1.06 0.53 3.99 4.81 -1.99 -0.87 114.58 125.15 1xck h GLU 386 Ca -0.38 -0.06 -0.02 0.00 -0.13 0.00 0.00 59.36 58.76 1xck h GLU 386 Cb 1.20 -0.24 -0.00 0.00 0.63 0.00 0.00 28.75 30.34 1xck h GLU 386 CO 0.58 0.70 -0.29 0.28 -0.73 0.00 0.00 179.01 179.55 1xck h VAL 387 N 1.09 0.40 -0.60 0.32 2.07 -1.99 0.22 116.25 117.77 1xck h VAL 387 Ca 0.32 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.88 1xck h VAL 387 Cb -0.05 0.40 -0.04 0.00 -1.52 0.00 0.00 31.29 30.08 1xck h VAL 387 CO -0.08 0.00 0.35 -0.33 0.02 0.00 0.00 177.57 177.52 1xck h GLU 388 N -0.76 0.65 0.27 1.57 5.08 -1.91 -1.14 114.58 118.33 1xck h GLU 388 Ca -0.07 -0.04 0.01 0.00 -1.00 0.00 0.00 59.36 58.26 1xck h GLU 388 Cb 0.61 -0.15 -0.03 0.00 0.50 0.00 0.00 28.75 29.68 1xck h GLU 388 CO 0.09 0.43 -0.36 1.98 -1.00 0.00 0.00 179.01 180.15 1xck h MET 389 N 0.67 -0.66 -0.47 2.33 4.05 -0.94 0.12 114.93 120.03 1xck h MET 389 Ca 0.26 0.04 0.05 0.00 -0.28 0.00 0.00 59.70 59.77 1xck h MET 389 Cb 0.10 0.15 -0.03 0.00 -0.80 0.00 0.00 31.60 31.02 1xck h MET 389 CO -0.14 -0.44 0.32 0.87 0.23 0.00 0.00 176.91 177.75 1xck h LYS 390 N -0.68 0.42 0.33 0.39 1.79 -0.70 0.22 116.57 118.33 1xck h LYS 390 Ca -0.01 -0.03 -0.02 0.00 -2.18 0.00 0.00 60.65 58.42 1xck h LYS 390 Cb 0.65 -0.09 0.00 0.00 -1.58 0.00 0.00 32.23 31.21 1xck h LYS 390 CO -0.12 0.28 -0.16 1.49 -1.08 0.00 0.00 179.45 179.86 1xck h GLU 391 N 0.43 -0.43 -0.67 3.15 4.22 -0.46 -2.82 114.58 117.99 1xck h GLU 391 Ca 0.20 0.03 0.08 0.00 0.08 0.00 0.00 59.36 59.75 1xck h GLU 391 Cb 0.26 0.10 -0.04 0.00 0.50 0.00 0.00 28.75 29.57 1xck h GLU 391 CO -0.05 -0.11 0.44 -0.22 -2.18 0.00 0.00 179.01 176.90 1xck h LYS 392 N -0.88 0.61 -0.65 1.92 3.64 -0.48 -0.68 116.57 120.04 1xck h LYS 392 Ca -0.05 -0.04 0.04 0.00 -1.27 0.00 0.00 60.65 59.34 1xck h LYS 392 Cb 0.53 -0.14 -0.05 0.00 -0.41 0.00 0.00 32.23 32.16 1xck h LYS 392 CO 0.08 0.40 0.39 -0.22 -2.27 0.00 0.00 179.45 177.82 1xck h LYS 393 N 0.62 0.73 -0.45 1.90 3.64 -0.91 0.19 116.57 122.29 1xck h LYS 393 Ca 0.30 -0.04 -0.03 0.00 -1.27 0.00 0.00 60.65 59.61 1xck h LYS 393 Cb 0.36 -0.16 -0.02 0.00 -0.41 0.00 0.00 32.23 32.00 1xck h LYS 393 CO -0.10 0.48 0.17 0.00 -2.27 0.00 0.00 179.45 177.73 1xck h ALA 394 N 1.30 0.59 -0.20 5.00 0.00 -0.88 -0.79 119.26 124.27 1xck h ALA 394 Ca 0.27 -0.16 -0.06 0.00 0.00 0.00 0.00 54.91 54.97 1xck h ALA 394 Cb 0.08 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 1xck h ALA 394 CO -0.13 0.21 -0.12 0.00 0.00 0.00 0.00 179.25 179.20 1xck h ARG 395 N 0.58 0.32 -0.21 0.00 3.08 -0.71 -1.49 114.38 115.95 1xck h ARG 395 Ca 0.15 -0.08 -0.09 0.00 0.07 0.00 0.00 59.98 60.03 1xck h ARG 395 Cb 0.22 -0.04 -0.00 0.00 0.08 0.00 0.00 29.97 30.23 1xck h ARG 395 CO -0.01 0.46 -0.22 0.28 -1.07 0.00 0.00 179.97 179.41 1xck h VAL 396 N 0.30 1.33 -1.01 2.04 2.07 -0.30 -1.60 116.25 119.08 1xck h VAL 396 Ca 0.06 -1.39 0.02 0.00 0.82 0.00 0.00 66.70 66.22 1xck h VAL 396 Cb 0.41 1.74 -0.05 0.00 -1.52 0.00 0.00 31.29 31.87 1xck h VAL 396 CO 0.02 0.43 0.66 -0.33 0.02 0.00 0.00 177.57 178.37 1xck h GLU 397 N 0.20 1.28 0.46 1.57 5.08 -0.78 -0.48 114.58 121.91 1xck h GLU 397 Ca 0.03 -0.08 -0.02 0.00 -1.00 0.00 0.00 59.36 58.29 1xck h GLU 397 Cb 0.77 -0.29 0.00 0.00 0.50 0.00 0.00 28.75 29.73 1xck h GLU 397 CO 0.05 0.85 -0.22 -0.44 -1.00 0.00 0.00 179.01 178.25 1xck h ASP 398 N 1.32 -0.52 -0.99 1.42 3.32 -1.25 -2.88 116.42 116.84 1xck h ASP 398 Ca 0.39 -0.06 0.28 0.00 0.02 0.00 0.00 57.03 57.66 1xck h ASP 398 Cb -0.08 0.13 -0.05 0.00 0.22 0.00 0.00 39.33 39.56 1xck h ASP 398 CO -0.10 -0.10 0.70 0.00 -1.72 0.00 0.00 179.24 178.02 1xck h ALA 399 N -0.92 2.84 0.17 3.45 0.00 -1.22 -0.54 119.26 123.04 1xck h ALA 399 Ca -0.06 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 1xck h ALA 399 Cb 0.54 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.40 1xck h ALA 399 CO 0.10 -1.13 -0.08 1.25 0.00 0.00 0.00 179.25 179.39 1xck h LEU 400 N 0.06 -0.20 -0.83 0.00 5.85 -1.03 -0.80 115.31 118.36 1xck h LEU 400 Ca 0.48 -0.25 0.03 0.00 0.84 0.00 0.00 57.88 58.98 1xck h LEU 400 Cb 1.82 0.05 -0.05 0.00 0.37 0.00 0.00 40.66 42.85 1xck h LEU 400 CO -0.04 0.17 0.53 0.45 -0.34 0.00 0.00 178.44 179.21 1xck h HIS 401 N -0.58 1.00 0.42 1.25 3.86 -0.91 0.18 115.15 120.36 1xck h HIS 401 Ca -0.02 0.03 -0.02 0.00 -1.16 0.00 0.00 60.37 59.20 1xck h HIS 401 Cb 0.44 -0.33 -0.00 0.00 1.06 0.00 0.00 27.41 28.57 1xck h HIS 401 CO 0.03 0.57 -0.25 0.00 0.86 0.00 0.00 177.93 179.15 1xck h ALA 402 N 1.35 -0.63 -0.81 2.45 0.00 -1.27 -1.64 119.26 118.71 1xck h ALA 402 Ca 0.33 -0.13 0.01 0.00 0.00 0.00 0.00 54.91 55.12 1xck h ALA 402 Cb 0.02 0.30 -0.04 0.00 0.00 0.00 0.00 17.79 18.07 1xck h ALA 402 CO -0.12 -0.87 0.53 1.15 0.00 0.00 0.00 179.25 179.94 1xck h THR 403 N -0.64 1.21 -0.37 0.00 2.02 -0.86 0.25 112.91 114.53 1xck h THR 403 Ca -0.05 -0.40 0.05 0.00 0.77 0.00 0.00 66.41 66.78 1xck h THR 403 Cb 0.52 0.03 -0.04 0.00 -1.74 0.00 0.00 68.15 66.91 1xck h THR 403 CO 0.06 0.21 0.12 -0.09 0.37 0.00 0.00 175.52 176.18 1xck h ARG 404 N 1.10 0.26 -0.16 6.66 1.12 -0.69 0.16 114.38 122.82 1xck h ARG 404 Ca 0.30 -0.02 -0.12 0.00 -1.11 0.00 0.00 59.98 59.03 1xck h ARG 404 Cb -0.11 -0.06 -0.01 0.00 -0.01 0.00 0.00 29.97 29.78 1xck h ARG 404 CO -0.06 0.17 -0.42 0.00 -3.11 0.00 0.00 179.97 176.54 1xck h ALA 405 N 1.24 0.98 -0.40 2.80 0.00 -0.58 -2.64 119.26 120.65 1xck h ALA 405 Ca 0.17 -0.43 -0.09 0.00 0.00 0.00 0.00 54.91 54.56 1xck h ALA 405 Cb 0.16 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 1xck h ALA 405 CO -0.18 0.62 -0.10 0.00 0.00 0.00 0.00 179.25 179.59 1xck h ALA 406 N 1.24 0.55 -0.15 0.00 0.00 -0.21 -1.67 119.26 119.02 1xck h ALA 406 Ca 0.03 -0.32 -0.02 0.00 0.00 0.00 0.00 54.91 54.60 1xck h ALA 406 Cb 0.88 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.52 1xck h ALA 406 CO 0.07 0.42 0.01 0.28 0.00 0.00 0.00 179.25 180.04 1xck h VAL 407 N 0.58 1.09 -0.02 0.00 2.07 -0.58 0.76 116.25 120.16 1xck h VAL 407 Ca 0.10 -0.34 -0.10 0.00 0.82 0.00 0.00 66.70 67.18 1xck h VAL 407 Cb 0.63 0.97 0.01 0.00 -1.52 0.00 0.00 31.29 31.37 1xck h VAL 407 CO 0.04 0.12 -0.38 -0.33 0.02 0.00 0.00 177.57 177.04 1xck h GLU 408 N 0.21 0.29 0.00 1.57 5.08 -1.10 -3.41 114.58 117.21 1xck h GLU 408 Ca 0.05 -0.29 0.00 0.00 -1.00 0.00 0.00 59.36 58.13 1xck h GLU 408 Cb 0.12 0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.45 1xck h GLU 408 CO 0.00 0.97 -0.07 0.39 -1.00 0.00 0.00 179.01 179.31 1xck n GLU 409 N -4.39 0.92 0.00 2.33 1.02 -0.66 -5.09 120.64 114.76 1xck n GLU 409 Ca -0.10 -1.00 0.00 0.00 -0.02 0.00 0.00 57.16 56.04 1xck n GLU 409 Cb 0.56 -0.71 0.00 0.00 -0.02 0.00 0.00 31.44 31.26 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 -0.25 -1.85 3.24 0.62 0.00 0.26 -4.41 105.19 102.81 1xck n GLY 410 Ca 0.01 -1.36 -0.15 0.00 0.00 0.00 0.00 46.02 44.52 1xck n GLY 410 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1xck s VAL 411 N 0.00 1.21 0.24 1.61 -7.23 0.12 -0.22 120.40 116.12 1xck s VAL 411 Ca 0.00 -1.92 0.01 0.00 -1.81 0.00 0.00 61.98 58.26 1xck s VAL 411 Cb 0.00 -1.71 -0.04 0.00 0.56 0.00 0.00 36.38 35.19 1xck s VAL 411 CO 0.00 -0.63 0.16 0.68 -0.31 0.00 0.00 175.10 175.00 1xck s VAL 412 N -2.88 0.08 0.30 1.32 -7.23 -0.63 -0.58 120.40 110.78 1xck s VAL 412 Ca 0.13 -2.00 -0.30 0.00 -1.81 0.00 0.00 61.98 58.01 1xck s VAL 412 Cb -0.00 -2.51 -0.11 0.00 0.56 0.00 0.00 36.38 34.31 1xck s VAL 412 CO 0.01 0.00 1.58 0.00 -0.31 0.00 0.00 175.10 176.38 1xck s ALA 413 N -3.92 3.72 0.41 1.32 0.00 -1.26 -1.48 121.76 120.54 1xck s ALA 413 Ca 0.39 1.57 0.00 0.00 0.00 0.00 0.00 51.96 53.92 1xck s ALA 413 Cb 0.06 -3.64 0.00 0.00 0.00 0.00 0.00 23.12 19.54 1xck s ALA 413 CO 0.16 -1.00 0.00 0.41 0.00 0.00 0.00 175.76 175.33 1xck n GLY 414 N 1.92 1.18 2.80 0.00 0.00 0.36 -3.04 105.19 108.41 1xck n GLY 414 Ca 0.07 -1.80 -0.08 0.00 0.00 0.00 0.00 46.02 44.21 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 0.79 2.30 -0.02 0.00 -1.26 -1.70 105.19 110.29 1xck n GLY 415 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.00 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 0.25 0.63 0.14 -0.02 0.00 -1.26 -4.42 105.19 100.52 1xck n GLY 416 Ca -0.08 0.00 0.03 0.00 0.00 0.00 0.00 46.02 45.97 1xck n GLY 416 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 1xck h VAL 417 N 0.00 0.69 -0.25 1.61 -1.51 -1.53 -3.22 116.25 112.05 1xck h VAL 417 Ca 0.00 -2.02 -0.00 0.00 -1.23 0.00 0.00 66.70 63.45 1xck h VAL 417 Cb 0.01 2.29 -0.01 0.00 -2.13 0.00 0.00 31.29 31.45 1xck h VAL 417 CO 0.00 0.39 0.15 0.00 -1.23 0.00 0.00 177.57 176.88 1xck h ALA 418 N 1.56 0.31 -0.71 5.19 0.00 -1.72 0.48 119.26 124.38 1xck h ALA 418 Ca -0.03 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 54.80 1xck h ALA 418 Cb 1.36 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 19.02 1xck h ALA 418 CO 0.05 -0.18 0.27 -0.07 0.00 0.00 0.00 179.25 179.32 1xck h LEU 419 N 0.31 0.97 -0.66 0.00 3.38 -1.85 -0.97 115.31 116.50 1xck h LEU 419 Ca 0.09 -0.15 -0.14 0.00 0.09 0.00 0.00 57.88 57.77 1xck h LEU 419 Cb 0.01 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.50 1xck h LEU 419 CO -0.02 0.87 -0.48 -0.29 0.09 0.00 0.00 178.44 178.62 1xck h ILE 420 N 1.03 1.32 0.12 1.22 2.10 -1.50 -1.65 117.51 120.14 1xck h ILE 420 Ca 0.24 -1.69 -0.01 0.00 1.08 0.00 0.00 64.86 64.48 1xck h ILE 420 Cb 0.22 1.70 0.00 0.00 -1.09 0.00 0.00 36.82 37.65 1xck h ILE 420 CO -0.02 0.52 -0.06 -0.09 -1.08 0.00 0.00 178.15 177.43 1xck h ARG 421 N 0.38 -0.16 -1.00 2.19 9.65 -0.56 -1.74 114.38 123.15 1xck h ARG 421 Ca 0.02 0.01 0.05 0.00 -1.10 0.00 0.00 59.98 58.96 1xck h ARG 421 Cb 0.98 0.04 -0.06 0.00 -1.39 0.00 0.00 29.97 29.53 1xck h ARG 421 CO 0.09 0.06 0.65 0.28 2.80 0.00 0.00 179.97 183.84 1xck h VAL 422 N -0.35 1.12 -0.41 0.20 2.07 -1.12 -2.36 116.25 115.40 1xck h VAL 422 Ca -0.02 -0.41 -0.07 0.00 0.82 0.00 0.00 66.70 67.02 1xck h VAL 422 Cb 0.28 -0.19 -0.01 0.00 -1.52 0.00 0.00 31.29 29.85 1xck h VAL 422 CO 0.03 0.22 0.00 0.00 0.02 0.00 0.00 177.57 177.84 1xck h ALA 423 N 1.43 0.56 -0.13 1.67 0.00 -1.16 -2.65 119.26 118.97 1xck h ALA 423 Ca 0.42 -0.26 0.04 0.00 0.00 0.00 0.00 54.91 55.10 1xck h ALA 423 Cb 0.10 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 1xck h ALA 423 CO -0.15 0.34 0.15 0.66 0.00 0.00 0.00 179.25 180.24 1xck h SER 424 N 0.56 0.00 1.68 0.00 4.64 -0.78 -0.29 113.55 119.36 1xck h SER 424 Ca 0.12 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.44 1xck h SER 424 Cb 0.48 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.57 1xck h SER 424 CO 0.02 0.00 -0.16 0.11 -0.87 0.00 0.00 176.83 175.93 1xck h LYS 425 N 0.00 0.00 -0.63 4.77 1.57 -1.23 -3.31 116.57 117.74 1xck h LYS 425 Ca 0.06 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.84 1xck h LYS 425 Cb 0.35 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.66 1xck h LYS 425 CO -0.00 0.00 0.00 1.28 -0.57 0.00 0.00 179.45 180.16 1xck n LEU 426 N -2.79 5.14 -0.28 2.94 4.77 -0.12 -4.62 117.00 122.05 1xck n LEU 426 Ca 0.04 -2.61 0.17 0.00 -0.03 0.00 0.00 56.01 53.58 1xck n LEU 426 Cb 0.50 -0.66 0.44 0.00 -2.33 0.00 0.00 43.42 41.38 1xck n LEU 426 CO 0.34 0.60 1.22 0.00 -1.33 0.00 0.00 177.39 178.21 1xck h ALA 427 N 3.81 2.01 -0.15 -1.18 0.00 -1.66 -1.00 119.26 121.09 1xck h ALA 427 Ca 0.00 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1xck h ALA 427 Cb 1.78 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.51 1xck h ALA 427 CO 0.42 -0.32 0.00 -0.25 0.00 0.00 0.00 179.25 179.10 1xck n ASP 428 N -4.59 1.86 -4.73 0.00 8.00 -1.26 -4.91 116.55 110.92 1xck n ASP 428 Ca 0.20 -1.70 -0.42 0.00 0.71 0.00 0.00 54.79 53.59 1xck n ASP 428 Cb 0.64 -0.09 -0.03 0.00 -0.02 0.00 0.00 41.12 41.62 1xck n ASP 428 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 1xck s LEU 429 N -1.68 4.38 0.17 0.64 2.96 -0.38 -5.00 118.68 119.76 1xck s LEU 429 Ca 0.34 2.56 0.03 0.00 -0.22 0.00 0.00 54.13 56.83 1xck s LEU 429 Cb 0.19 -3.60 -0.05 0.00 0.50 0.00 0.00 46.19 43.23 1xck s LEU 429 CO 0.29 -0.73 -0.03 -0.13 -1.32 0.00 0.00 176.35 174.43 1xck s ARG 430 N 0.56 1.12 0.00 1.98 1.81 -1.26 -4.96 118.95 118.19 1xck s ARG 430 Ca 0.65 -1.52 0.00 0.00 -1.72 0.00 0.00 55.73 53.13 1xck s ARG 430 Cb -0.41 -0.39 0.00 0.00 -0.45 0.00 0.00 34.95 33.70 1xck s ARG 430 CO 0.35 -0.07 0.00 0.41 -0.68 0.00 0.00 175.30 175.31 1xck n GLY 431 N -0.25 5.99 0.20 -3.53 0.00 -1.26 -5.01 105.19 101.33 1xck n GLY 431 Ca -0.07 -2.07 0.08 0.00 0.00 0.00 0.00 46.02 43.96 1xck n GLY 431 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 1xck h GLN 432 N 0.00 0.00 -3.86 1.61 4.20 -1.99 -3.47 115.11 111.60 1xck h GLN 432 Ca 0.00 0.00 -0.18 0.00 0.06 0.00 0.00 58.65 58.53 1xck h GLN 432 Cb 0.00 0.00 -0.07 0.00 0.30 0.00 0.00 27.48 27.71 1xck h GLN 432 CO 0.00 0.26 -0.13 0.54 -0.67 0.00 0.00 178.83 178.84 1xck s ASN 433 N -6.25 0.49 0.28 1.46 2.20 -1.26 -5.05 114.94 106.81 1xck s ASN 433 Ca 0.03 -1.28 -0.03 0.00 -0.94 0.00 0.00 52.86 50.64 1xck s ASN 433 Cb 0.08 0.66 0.38 0.00 -2.00 0.00 0.00 41.25 40.37 1xck s ASN 433 CO 0.67 -1.29 1.87 -0.08 -2.94 0.00 0.00 177.10 175.33 1xck h GLU 434 N 2.15 0.97 -0.45 3.55 4.57 -1.99 -1.71 114.58 121.67 1xck h GLU 434 Ca -0.28 -0.14 0.00 0.00 -1.18 0.00 0.00 59.36 57.75 1xck h GLU 434 Cb 1.24 -0.17 -0.02 0.00 -0.16 0.00 0.00 28.75 29.64 1xck h GLU 434 CO 0.38 0.77 0.29 -0.44 -1.18 0.00 0.00 179.01 178.84 1xck h ASP 435 N 0.96 0.52 -0.27 1.04 3.32 -1.96 -0.45 116.42 119.59 1xck h ASP 435 Ca 0.23 -0.02 -0.04 0.00 0.02 0.00 0.00 57.03 57.22 1xck h ASP 435 Cb 0.14 -0.13 -0.02 0.00 0.22 0.00 0.00 39.33 39.54 1xck h ASP 435 CO -0.03 0.39 0.06 1.56 -1.72 0.00 0.00 179.24 179.50 1xck h GLN 436 N 0.60 0.53 -0.59 3.56 4.20 -1.60 -0.39 115.11 121.43 1xck h GLN 436 Ca 0.16 -0.09 -0.02 0.00 0.06 0.00 0.00 58.65 58.75 1xck h GLN 436 Cb -0.05 -0.09 -0.03 0.00 0.30 0.00 0.00 27.48 27.61 1xck h GLN 436 CO -0.03 0.51 0.27 -0.91 -0.67 0.00 0.00 178.83 178.00 1xck h ASN 437 N 0.52 0.78 -0.57 1.46 2.35 -0.39 -0.08 115.58 119.64 1xck h ASN 437 Ca 0.12 -0.14 -0.02 0.00 -0.55 0.00 0.00 56.30 55.71 1xck h ASN 437 Cb 0.24 -0.20 -0.03 0.00 0.05 0.00 0.00 38.32 38.39 1xck h ASN 437 CO 0.00 0.70 0.30 0.58 -1.65 0.00 0.00 177.43 177.36 1xck h VAL 438 N 0.80 1.20 -0.73 2.81 2.07 -0.39 -1.75 116.25 120.25 1xck h VAL 438 Ca 0.20 -0.52 0.05 0.00 0.82 0.00 0.00 66.70 67.25 1xck h VAL 438 Cb 0.14 0.49 -0.05 0.00 -1.52 0.00 0.00 31.29 30.35 1xck h VAL 438 CO -0.02 0.22 0.44 1.23 0.02 0.00 0.00 177.57 179.45 1xck h GLY 439 N 0.78 1.08 1.01 2.17 0.00 -0.46 0.13 103.07 107.78 1xck h GLY 439 Ca 0.20 -0.32 -0.01 0.00 0.00 0.00 0.00 47.33 47.20 1xck h GLY 439 CO -0.03 0.22 0.42 -2.22 0.00 0.00 0.00 176.54 174.93 1xck h ILE 440 N 0.82 1.22 -0.47 2.60 2.04 -0.49 -2.08 117.51 121.15 1xck h ILE 440 Ca 0.32 -0.52 -0.10 0.00 1.00 0.00 0.00 64.86 65.56 1xck h ILE 440 Cb 0.13 0.23 -0.02 0.00 -0.74 0.00 0.00 36.82 36.42 1xck h ILE 440 CO -0.16 0.23 -0.11 0.11 0.00 0.00 0.00 178.15 178.23 1xck h LYS 441 N 1.01 0.87 -0.51 2.37 1.79 -0.46 -1.37 116.57 120.27 1xck h LYS 441 Ca 0.26 -0.30 0.03 0.00 -2.18 0.00 0.00 60.65 58.47 1xck h LYS 441 Cb 0.01 -0.07 -0.04 0.00 -1.58 0.00 0.00 32.23 30.55 1xck h LYS 441 CO -0.04 0.93 0.28 0.28 -1.08 0.00 0.00 179.45 179.81 1xck h VAL 442 N 0.78 1.00 -0.22 0.50 2.07 -0.37 0.39 116.25 120.41 1xck h VAL 442 Ca 0.13 -0.19 -0.05 0.00 0.82 0.00 0.00 66.70 67.41 1xck h VAL 442 Cb 0.62 0.41 -0.01 0.00 -1.52 0.00 0.00 31.29 30.78 1xck h VAL 442 CO 0.04 0.10 -0.04 0.00 0.02 0.00 0.00 177.57 177.69 1xck h ALA 443 N 1.25 0.30 -0.51 1.67 0.00 -1.12 -1.53 119.26 119.31 1xck h ALA 443 Ca 0.21 -0.25 -0.04 0.00 0.00 0.00 0.00 54.91 54.83 1xck h ALA 443 Cb 0.08 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 1xck h ALA 443 CO -0.12 0.07 0.14 -0.07 0.00 0.00 0.00 179.25 179.27 1xck h LEU 444 N 0.15 0.72 -0.46 0.00 3.38 -1.03 -1.89 115.31 116.18 1xck h LEU 444 Ca 0.06 -0.11 -0.06 0.00 0.09 0.00 0.00 57.88 57.85 1xck h LEU 444 Cb 0.48 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 41.03 1xck h LEU 444 CO 0.02 0.69 0.03 -0.09 0.09 0.00 0.00 178.44 179.18 1xck h ARG 445 N 0.75 0.78 -0.12 1.13 2.43 -0.84 -2.99 114.38 115.53 1xck h ARG 445 Ca 0.17 -0.23 -0.03 0.00 -0.81 0.00 0.00 59.98 59.08 1xck h ARG 445 Cb 0.25 -0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 29.71 1xck h ARG 445 CO -0.01 0.83 -0.06 0.00 -1.51 0.00 0.00 179.97 179.22 1xck h ALA 446 N 0.93 1.68 0.00 2.80 0.00 -0.75 -2.25 119.26 121.67 1xck h ALA 446 Ca 0.13 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1xck h ALA 446 Cb 0.45 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.18 1xck h ALA 446 CO 0.02 0.24 0.00 -1.33 0.00 0.00 0.00 179.25 178.18 1xck n MET 447 N -4.37 0.00 0.06 0.00 2.81 -0.76 -0.72 117.12 114.15 1xck n MET 447 Ca -0.01 0.40 0.12 0.00 -1.81 0.00 0.00 57.70 56.39 1xck n MET 447 Cb 0.20 -1.50 0.06 0.00 -0.71 0.00 0.00 33.22 31.27 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 -1.49 0.38 -0.11 0.03 1.02 -0.84 -3.77 120.64 115.86 1xck n GLU 448 Ca 0.01 0.05 -0.08 0.00 -0.02 0.00 0.00 57.16 57.13 1xck n GLU 448 Cb 0.06 -1.68 -0.02 0.00 -0.02 0.00 0.00 31.44 29.79 1xck n GLU 448 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1xck h ALA 449 N 2.38 -0.19 0.21 0.62 0.00 -1.06 -1.74 119.26 119.48 1xck h ALA 449 Ca 0.00 0.10 0.01 0.00 0.00 0.00 0.00 54.91 55.02 1xck h ALA 449 Cb 0.81 0.69 -0.04 0.00 0.00 0.00 0.00 17.79 19.25 1xck h ALA 449 CO 0.00 -0.73 -0.46 -1.35 0.00 0.00 0.00 179.25 176.71 1xck h PRO 450 N -0.26 -0.73 -0.07 0.00 0.11 -1.78 0.71 132.00 129.99 1xck h PRO 450 Ca 0.17 0.05 0.03 0.00 0.11 0.00 0.00 66.00 66.36 1xck h PRO 450 Cb 0.54 0.17 -0.04 0.00 0.11 0.00 0.00 31.00 31.77 1xck h PRO 450 CO -0.52 -0.49 -0.17 1.25 -0.21 0.00 0.00 178.00 177.87 1xck h LEU 451 N -0.76 -0.51 -0.71 2.35 6.46 -1.70 -0.51 115.31 119.94 1xck h LEU 451 Ca -0.00 0.08 0.12 0.00 -0.12 0.00 0.00 57.88 57.96 1xck h LEU 451 Cb 0.74 0.23 -0.09 0.00 -0.73 0.00 0.00 40.66 40.81 1xck h LEU 451 CO -0.21 -0.22 0.29 0.03 -0.62 0.00 0.00 178.44 177.71 1xck h ARG 452 N -0.24 0.45 -0.40 1.25 3.08 -1.09 0.36 114.38 117.77 1xck h ARG 452 Ca 0.08 -0.03 -0.03 0.00 0.07 0.00 0.00 59.98 60.07 1xck h ARG 452 Cb 0.35 -0.10 -0.02 0.00 0.08 0.00 0.00 29.97 30.28 1xck h ARG 452 CO -0.21 0.30 0.15 0.37 -1.07 0.00 0.00 179.97 179.51 1xck h GLN 453 N 0.46 0.61 -0.26 0.04 5.75 -0.29 0.93 115.11 122.35 1xck h GLN 453 Ca 0.38 -0.12 0.05 0.00 -0.15 0.00 0.00 58.65 58.81 1xck h GLN 453 Cb 0.52 -0.10 -0.05 0.00 1.07 0.00 0.00 27.48 28.93 1xck h GLN 453 CO -0.36 0.58 -0.04 0.82 -2.65 0.00 0.00 178.83 177.19 1xck h ILE 454 N 0.51 0.77 -0.59 2.39 2.04 0.28 0.94 117.51 123.86 1xck h ILE 454 Ca 0.13 -0.01 -0.04 0.00 1.00 0.00 0.00 64.86 65.94 1xck h ILE 454 Cb 0.21 0.74 -0.03 0.00 -0.74 0.00 0.00 36.82 37.00 1xck h ILE 454 CO -0.01 0.01 0.19 0.58 0.00 0.00 0.00 178.15 178.92 1xck h VAL 455 N 0.03 1.22 -0.53 1.67 2.07 -0.72 -2.13 116.25 117.87 1xck h VAL 455 Ca 0.12 -0.75 -0.03 0.00 0.82 0.00 0.00 66.70 66.86 1xck h VAL 455 Cb 0.18 0.56 -0.02 0.00 -1.52 0.00 0.00 31.29 30.49 1xck h VAL 455 CO -0.24 0.29 0.21 0.25 0.02 0.00 0.00 177.57 178.10 1xck h LEU 456 N 0.86 0.74 -1.70 2.57 5.85 0.11 -1.69 115.31 122.04 1xck h LEU 456 Ca 0.20 -0.17 -0.03 0.00 0.84 0.00 0.00 57.88 58.71 1xck h LEU 456 Cb 0.23 -0.19 -0.00 0.00 0.37 0.00 0.00 40.66 41.06 1xck h LEU 456 CO -0.01 0.71 -0.16 0.78 -0.34 0.00 0.00 178.44 179.42 1xck h ASN 457 N 0.72 0.00 0.78 1.25 2.35 -0.40 -0.76 115.58 119.52 1xck h ASN 457 Ca 0.18 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.93 1xck h ASN 457 Cb 0.21 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.58 1xck h ASN 457 CO -0.01 0.16 0.00 0.00 -1.65 0.00 0.00 177.43 175.93 1xck n GLY 459 N 1.15 0.37 3.76 0.00 0.00 -0.29 -5.06 105.19 105.11 1xck n GLY 459 Ca 0.08 -0.91 -0.26 0.00 0.00 0.00 0.00 46.02 44.93 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 -3.68 2.23 -0.54 1.61 0.41 -0.70 -5.04 118.70 112.98 1xck s GLU 460 Ca 0.00 -1.93 -0.25 0.00 -0.41 0.00 0.00 54.97 52.38 1xck s GLU 460 Cb 0.00 -1.95 0.04 0.00 -1.78 0.00 0.00 34.13 30.44 1xck s GLU 460 CO 0.00 -0.21 0.97 -1.21 -0.49 0.00 0.00 175.26 174.32 1xck s GLU 461 N -3.96 3.39 0.22 1.61 2.02 -1.26 -4.30 118.70 116.42 1xck s GLU 461 Ca 0.37 -0.12 -0.11 0.00 0.02 0.00 0.00 54.97 55.12 1xck s GLU 461 Cb 0.03 -4.03 0.30 0.00 0.10 0.00 0.00 34.13 30.53 1xck s GLU 461 CO 0.20 -1.47 1.64 -1.35 0.02 0.00 0.00 175.26 174.30 1xck h PRO 462 N 9.31 0.06 -0.72 0.39 0.11 -1.87 -1.83 132.00 137.45 1xck h PRO 462 Ca -0.26 -0.00 0.04 0.00 0.11 0.00 0.00 66.00 65.89 1xck h PRO 462 Cb 1.07 -0.01 -0.05 0.00 0.11 0.00 0.00 31.00 32.12 1xck h PRO 462 CO 1.09 0.04 0.45 0.77 -0.21 0.00 0.00 178.00 180.13 1xck h SER 463 N 0.06 0.72 0.07 -2.05 0.02 -1.95 0.27 113.55 110.69 1xck h SER 463 Ca 0.34 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 61.29 1xck h SER 463 Cb 0.54 -0.15 0.00 0.00 0.14 0.00 0.00 62.40 62.94 1xck h SER 463 CO -0.62 0.49 -0.03 0.58 -1.14 0.00 0.00 176.83 176.11 1xck h VAL 464 N 0.86 1.08 -0.40 2.27 2.07 -1.77 -0.20 116.25 120.16 1xck h VAL 464 Ca 0.30 -0.53 -0.03 0.00 0.82 0.00 0.00 66.70 67.25 1xck h VAL 464 Cb 0.05 1.43 -0.02 0.00 -1.52 0.00 0.00 31.29 31.24 1xck h VAL 464 CO -0.12 0.13 0.13 0.58 0.02 0.00 0.00 177.57 178.31 1xck h VAL 465 N -0.34 1.21 -0.72 2.57 2.07 -1.26 -0.73 116.25 119.06 1xck h VAL 465 Ca -0.01 -0.69 0.04 0.00 0.82 0.00 0.00 66.70 66.86 1xck h VAL 465 Cb 0.29 0.91 -0.05 0.00 -1.52 0.00 0.00 31.29 30.92 1xck h VAL 465 CO 0.02 0.24 0.44 0.00 0.02 0.00 0.00 177.57 178.30 1xck h ALA 466 N 0.98 0.95 0.32 1.67 0.00 -0.46 0.07 119.26 122.79 1xck h ALA 466 Ca 0.13 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.01 1xck h ALA 466 Cb 0.25 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.83 1xck h ALA 466 CO -0.01 0.20 -0.16 -0.97 0.00 0.00 0.00 179.25 178.32 1xck h ASN 467 N 0.85 -0.37 -0.54 0.00 -1.24 -0.72 -1.06 115.58 112.50 1xck h ASN 467 Ca 0.30 -0.04 0.05 0.00 0.71 0.00 0.00 56.30 57.32 1xck h ASN 467 Cb 0.06 0.10 -0.05 0.00 0.73 0.00 0.00 38.32 39.16 1xck h ASN 467 CO -0.13 -0.20 0.28 0.74 -1.29 0.00 0.00 177.43 176.83 1xck h THR 468 N -0.51 0.95 -0.80 -3.57 2.02 -0.80 -2.04 112.91 108.17 1xck h THR 468 Ca -0.04 -0.18 -0.02 0.00 0.77 0.00 0.00 66.41 66.93 1xck h THR 468 Cb 0.38 0.37 -0.04 0.00 -1.74 0.00 0.00 68.15 67.13 1xck h THR 468 CO 0.07 0.10 0.40 0.58 0.37 0.00 0.00 175.52 177.04 1xck h VAL 469 N 0.53 1.25 -0.16 3.16 2.07 -0.87 -2.13 116.25 120.10 1xck h VAL 469 Ca 0.24 -0.66 -0.02 0.00 0.82 0.00 0.00 66.70 67.08 1xck h VAL 469 Cb 0.15 0.22 -0.01 0.00 -1.52 0.00 0.00 31.29 30.12 1xck h VAL 469 CO -0.17 0.29 0.01 0.11 0.02 0.00 0.00 177.57 177.84 1xck h LYS 470 N 1.12 0.23 -0.23 1.57 1.57 -0.57 -2.44 116.57 117.82 1xck h LYS 470 Ca 0.28 -0.03 -0.07 0.00 -1.87 0.00 0.00 60.65 58.96 1xck h LYS 470 Cb 0.09 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.34 1xck h LYS 470 CO -0.04 0.24 -0.17 0.78 -0.57 0.00 0.00 179.45 179.69 1xck h GLY 471 N 0.45 0.44 0.00 3.86 0.00 -0.71 -3.45 103.07 103.65 1xck h GLY 471 Ca 0.06 -0.31 0.00 0.00 0.00 0.00 0.00 47.33 47.08 1xck h GLY 471 CO 0.00 0.29 0.00 0.61 0.00 0.00 0.00 176.54 177.44 1xck n GLY 472 N -0.61 -1.88 3.17 4.60 0.00 -0.92 -5.11 105.19 104.44 1xck n GLY 472 Ca -0.00 -1.50 -0.10 0.00 0.00 0.00 0.00 46.02 44.41 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 -1.34 0.26 0.73 1.61 1.01 -1.26 -5.02 116.67 112.66 1xck s ASP 473 Ca 0.00 -1.26 0.00 0.00 0.71 0.00 0.00 52.55 52.00 1xck s ASP 473 Cb 0.00 0.32 0.00 0.00 1.01 0.00 0.00 42.92 44.25 1xck s ASP 473 CO 0.00 -0.77 0.00 0.61 0.21 0.00 0.00 175.17 175.22 1xck n GLY 474 N -0.15 2.52 1.40 0.21 0.00 -1.26 -1.52 105.19 106.40 1xck n GLY 474 Ca -0.03 -0.23 -0.06 0.00 0.00 0.00 0.00 46.02 45.70 1xck n GLY 474 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1xck n ASN 475 N 0.86 3.26 -4.70 1.61 4.13 -1.26 -4.88 115.26 114.29 1xck n ASN 475 Ca 0.00 -2.61 -0.42 0.00 1.68 0.00 0.00 54.58 53.22 1xck n ASN 475 Cb 0.00 -0.63 -0.03 0.00 -1.54 0.00 0.00 39.78 37.58 1xck n ASN 475 CO 0.00 0.00 0.00 -0.47 0.28 0.00 0.00 177.26 177.07 1xck s TYR 476 N -1.58 3.44 0.00 3.10 5.04 -0.57 -0.21 117.35 126.56 1xck s TYR 476 Ca 0.25 1.45 0.00 0.00 -2.44 0.00 0.00 57.07 56.33 1xck s TYR 476 Cb 0.20 -3.29 0.00 0.00 0.35 0.00 0.00 41.96 39.23 1xck s TYR 476 CO 0.06 -0.71 0.00 0.41 -1.34 0.00 0.00 175.55 173.96 1xck n GLY 477 N 3.15 3.93 3.19 8.97 0.00 0.83 -4.68 105.19 120.58 1xck n GLY 477 Ca 0.09 -0.91 -0.34 0.00 0.00 0.00 0.00 46.02 44.86 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 -1.61 2.86 -0.91 1.61 5.04 -1.26 -2.02 117.35 121.05 1xck s TYR 478 Ca 0.00 -1.41 -0.23 0.00 -2.44 0.00 0.00 57.07 52.99 1xck s TYR 478 Cb 0.00 -1.99 0.06 0.00 0.35 0.00 0.00 41.96 40.38 1xck s TYR 478 CO 0.00 -0.72 1.33 1.21 -1.34 0.00 0.00 175.55 176.03 1xck s ASN 479 N 1.35 6.42 0.47 4.32 3.84 -0.03 -4.84 114.94 126.46 1xck s ASN 479 Ca 0.05 -1.27 0.21 0.00 0.21 0.00 0.00 52.86 52.06 1xck s ASN 479 Cb -0.14 -2.53 1.22 0.00 -0.55 0.00 0.00 41.25 39.25 1xck s ASN 479 CO -0.09 -1.52 1.92 0.00 -2.79 0.00 0.00 177.10 174.62 1xck h ALA 480 N 9.69 2.35 -0.42 1.71 0.00 -1.94 0.44 119.26 131.09 1xck h ALA 480 Ca 0.05 -0.01 -0.09 0.00 0.00 0.00 0.00 54.91 54.86 1xck h ALA 480 Cb 1.03 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.79 1xck h ALA 480 CO 1.33 -0.56 -0.12 0.00 0.00 0.00 0.00 179.25 179.89 1xck h ALA 481 N 1.65 1.00 -0.01 0.00 0.00 -1.96 -3.30 119.26 116.65 1xck h ALA 481 Ca 0.37 -0.32 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1xck h ALA 481 Cb 1.09 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.72 1xck h ALA 481 CO -0.08 0.60 -0.02 0.25 0.00 0.00 0.00 179.25 180.00 1xck n THR 482 N -4.16 0.00 -2.19 0.00 -2.24 -0.63 -4.99 114.28 100.06 1xck n THR 482 Ca 0.01 -0.49 -0.20 0.00 -2.27 0.00 0.00 64.05 61.10 1xck n THR 482 Cb 0.37 1.11 -0.03 0.00 -2.10 0.00 0.00 70.33 69.68 1xck n THR 482 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1xck n GLU 483 N 0.23 -1.57 -4.66 -0.78 1.02 0.14 -4.98 120.64 110.04 1xck n GLU 483 Ca 0.03 1.04 -0.33 0.00 -0.02 0.00 0.00 57.16 57.88 1xck n GLU 483 Cb 0.14 -5.60 -0.12 0.00 -0.02 0.00 0.00 31.44 25.83 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 -4.70 3.04 0.22 3.49 0.41 -1.19 -4.92 118.70 115.06 1xck s GLU 484 Ca 0.00 -0.60 -0.08 0.00 -0.41 0.00 0.00 54.97 53.88 1xck s GLU 484 Cb 0.00 -2.63 -0.07 0.00 -1.78 0.00 0.00 34.13 29.65 1xck s GLU 484 CO 0.00 0.47 0.52 0.71 -0.49 0.00 0.00 175.26 176.46 1xck s TYR 485 N -0.29 3.44 -3.09 1.61 1.51 -1.26 -0.85 117.35 118.42 1xck s TYR 485 Ca 0.03 0.79 0.00 0.00 -1.01 0.00 0.00 57.07 56.88 1xck s TYR 485 Cb -0.13 -2.19 0.00 0.00 -0.11 0.00 0.00 41.96 39.53 1xck s TYR 485 CO 0.03 0.29 0.00 0.41 -1.11 0.00 0.00 175.55 175.16 1xck n GLY 486 N -0.20 -0.96 3.63 0.71 0.00 -0.85 -4.96 105.19 102.55 1xck n GLY 486 Ca -0.00 -1.00 -0.43 0.00 0.00 0.00 0.00 46.02 44.59 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 6.85 0.20 1.61 3.84 -1.26 -0.12 114.94 122.06 1xck s ASN 487 Ca 0.00 0.92 -0.10 0.00 0.21 0.00 0.00 52.86 53.89 1xck s ASN 487 Cb 0.00 -2.54 0.26 0.00 -0.55 0.00 0.00 41.25 38.42 1xck s ASN 487 CO 0.00 -0.98 1.73 0.24 -2.79 0.00 0.00 177.10 175.30 1xck h MET 488 N 8.42 0.35 -0.40 0.43 2.86 -0.90 -1.05 114.93 124.65 1xck h MET 488 Ca -0.21 -0.02 -0.00 0.00 -2.06 0.00 0.00 59.70 57.40 1xck h MET 488 Cb 1.06 -0.08 -0.02 0.00 0.06 0.00 0.00 31.60 32.62 1xck h MET 488 CO 1.06 0.23 0.24 0.82 1.06 0.00 0.00 176.91 180.32 1xck h ILE 489 N 0.36 1.12 -0.93 -1.22 1.08 -1.76 -0.34 117.51 115.82 1xck h ILE 489 Ca 0.29 -0.27 0.01 0.00 -0.39 0.00 0.00 64.86 64.50 1xck h ILE 489 Cb 0.38 0.59 -0.05 0.00 -3.07 0.00 0.00 36.82 34.67 1xck h ILE 489 CO -0.32 0.12 0.60 0.44 -0.69 0.00 0.00 178.15 178.31 1xck h ASP 490 N 0.52 1.09 0.00 1.72 3.32 -1.79 -0.24 116.42 121.03 1xck h ASP 490 Ca 0.14 -0.04 0.00 0.00 0.02 0.00 0.00 57.03 57.15 1xck h ASP 490 Cb -0.01 -0.27 0.00 0.00 0.22 0.00 0.00 39.33 39.27 1xck h ASP 490 CO -0.03 0.80 0.00 0.23 -1.72 0.00 0.00 179.24 178.52 1xck n MET 491 N -4.42 0.82 -1.89 3.56 2.81 -0.45 -4.86 117.12 112.69 1xck n MET 491 Ca 0.11 0.00 -0.11 0.00 -1.81 0.00 0.00 57.70 55.89 1xck n MET 491 Cb 0.02 -1.25 -0.02 0.00 -0.71 0.00 0.00 33.22 31.26 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 0.48 0.38 3.07 3.03 0.00 -0.10 -4.98 105.19 107.07 1xck n GLY 492 Ca 0.10 -0.47 -0.35 0.00 0.00 0.00 0.00 46.02 45.30 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 -2.49 3.46 0.26 -0.61 1.01 -0.19 -5.01 121.20 117.62 1xck s ILE 493 Ca 0.00 -2.92 0.01 0.00 0.00 0.00 0.00 60.65 57.74 1xck s ILE 493 Cb 0.00 -3.29 -0.05 0.00 0.01 0.00 0.00 42.46 39.14 1xck s ILE 493 CO 0.00 -0.84 0.12 -1.48 0.00 0.00 0.00 174.94 172.74 1xck s LEU 494 N 0.04 1.55 0.01 2.97 0.05 -1.26 -0.49 118.68 121.55 1xck s LEU 494 Ca 0.16 -1.43 0.01 0.00 0.05 0.00 0.00 54.13 52.92 1xck s LEU 494 Cb -0.21 0.14 -0.01 0.00 -2.05 0.00 0.00 46.19 44.06 1xck s LEU 494 CO -0.03 -0.80 -0.04 -1.81 -0.55 0.00 0.00 176.35 173.13 1xck s ASP 495 N -3.30 0.40 0.19 1.48 1.01 -0.55 -4.52 116.67 111.37 1xck s ASP 495 Ca 0.37 -0.19 -0.32 0.00 0.71 0.00 0.00 52.55 53.12 1xck s ASP 495 Cb 0.07 -0.01 -0.11 0.00 1.01 0.00 0.00 42.92 43.89 1xck s ASP 495 CO 0.14 -0.05 1.62 -2.84 0.21 0.00 0.00 175.17 174.25 1xck s PRO 496 N -0.51 4.18 0.54 8.23 0.02 -1.26 -1.60 135.00 144.61 1xck s PRO 496 Ca -0.03 2.45 0.37 0.00 0.02 0.00 0.00 61.00 63.81 1xck s PRO 496 Cb -0.04 -3.12 1.56 0.00 0.02 0.00 0.00 34.50 32.92 1xck s PRO 496 CO -0.00 -0.65 1.80 1.15 -0.33 0.00 0.00 177.00 178.96 1xck h THR 497 N 3.91 0.39 -0.46 0.99 2.02 -0.81 0.19 112.91 119.14 1xck h THR 497 Ca -0.43 -0.00 -0.08 0.00 0.77 0.00 0.00 66.41 66.67 1xck h THR 497 Cb 1.20 0.39 -0.02 0.00 -1.74 0.00 0.00 68.15 67.98 1xck h THR 497 CO 0.92 0.00 -0.03 0.50 0.37 0.00 0.00 175.52 177.28 1xck h LYS 498 N 0.00 0.78 -0.20 6.66 3.64 -1.82 -1.37 116.57 124.26 1xck h LYS 498 Ca 0.58 -0.22 -0.17 0.00 -1.27 0.00 0.00 60.65 59.57 1xck h LYS 498 Cb 2.33 -0.08 0.00 0.00 -0.41 0.00 0.00 32.23 34.07 1xck h LYS 498 CO -0.01 0.80 -0.54 -0.39 -2.27 0.00 0.00 179.45 177.04 1xck h VAL 499 N 0.72 1.31 -0.09 2.00 -1.51 -0.94 -1.09 116.25 116.64 1xck h VAL 499 Ca 0.14 -1.77 -0.01 0.00 -1.23 0.00 0.00 66.70 63.83 1xck h VAL 499 Cb 0.48 1.88 -0.00 0.00 -2.13 0.00 0.00 31.29 31.52 1xck h VAL 499 CO 0.02 0.56 0.03 0.74 -1.23 0.00 0.00 177.57 177.69 1xck h THR 500 N 0.43 1.17 -0.29 7.19 2.02 -1.48 0.67 112.91 122.62 1xck h THR 500 Ca -0.01 -0.50 0.05 0.00 0.77 0.00 0.00 66.41 66.72 1xck h THR 500 Cb 1.16 1.33 -0.05 0.00 -1.74 0.00 0.00 68.15 68.85 1xck h THR 500 CO 0.12 0.15 -0.01 -0.09 0.37 0.00 0.00 175.52 176.05 1xck h ARG 501 N -0.03 0.07 0.38 6.66 2.43 -1.24 -1.43 114.38 121.22 1xck h ARG 501 Ca 0.03 -0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.18 1xck h ARG 501 Cb 0.20 -0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 29.73 1xck h ARG 501 CO -0.00 0.05 -0.24 0.77 -1.51 0.00 0.00 179.97 179.03 1xck h SER 502 N 0.07 -0.62 -0.63 -3.80 0.02 -1.03 -0.73 113.55 106.84 1xck h SER 502 Ca 0.14 0.04 0.13 0.00 -0.84 0.00 0.00 61.79 61.26 1xck h SER 502 Cb 0.19 0.19 -0.11 0.00 0.14 0.00 0.00 62.40 62.81 1xck h SER 502 CO -0.24 -0.38 -0.00 0.00 -1.14 0.00 0.00 176.83 175.06 1xck h ALA 503 N -0.02 0.62 0.16 3.77 0.00 -0.61 0.16 119.26 123.33 1xck h ALA 503 Ca -0.04 0.19 -0.01 0.00 0.00 0.00 0.00 54.91 55.06 1xck h ALA 503 Cb 0.50 0.34 0.00 0.00 0.00 0.00 0.00 17.79 18.63 1xck h ALA 503 CO 0.03 -0.40 -0.08 1.25 0.00 0.00 0.00 179.25 180.06 1xck h LEU 504 N 0.11 -0.18 -0.44 0.00 5.85 -1.07 -1.74 115.31 117.84 1xck h LEU 504 Ca 0.33 -0.19 0.03 0.00 0.84 0.00 0.00 57.88 58.89 1xck h LEU 504 Cb 0.54 0.05 -0.03 0.00 0.37 0.00 0.00 40.66 41.58 1xck h LEU 504 CO -0.54 0.09 0.25 1.56 -0.34 0.00 0.00 178.44 179.45 1xck h GLN 505 N -0.46 0.48 -0.68 1.25 4.20 -0.58 -0.04 115.11 119.28 1xck h GLN 505 Ca -0.02 -0.03 -0.08 0.00 0.06 0.00 0.00 58.65 58.58 1xck h GLN 505 Cb 0.36 -0.11 -0.03 0.00 0.30 0.00 0.00 27.48 28.01 1xck h GLN 505 CO 0.04 0.32 0.13 1.88 -0.67 0.00 0.00 178.83 180.53 1xck h TYR 506 N 0.49 1.18 0.47 2.96 0.05 -0.73 -0.75 116.97 120.65 1xck h TYR 506 Ca 0.18 -0.15 -0.02 0.00 0.05 0.00 0.00 58.73 58.78 1xck h TYR 506 Cb 0.04 -0.33 0.00 0.00 1.01 0.00 0.00 36.73 37.46 1xck h TYR 506 CO -0.08 0.98 -0.22 0.00 -1.05 0.00 0.00 178.16 177.78 1xck h ALA 507 N 1.06 -0.63 -0.53 3.88 0.00 -0.97 -2.45 119.26 119.62 1xck h ALA 507 Ca 0.21 -0.17 0.12 0.00 0.00 0.00 0.00 54.91 55.08 1xck h ALA 507 Cb 0.41 0.24 -0.03 0.00 0.00 0.00 0.00 17.79 18.42 1xck h ALA 507 CO 0.01 -0.80 0.37 0.00 0.00 0.00 0.00 179.25 178.83 1xck h ALA 508 N -0.26 2.25 0.64 0.00 0.00 -0.93 -0.17 119.26 120.80 1xck h ALA 508 Ca -0.06 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.80 1xck h ALA 508 Cb 0.54 -0.02 0.01 0.00 0.00 0.00 0.00 17.79 18.32 1xck h ALA 508 CO 0.11 -0.39 -0.31 1.03 0.00 0.00 0.00 179.25 179.69 1xck h SER 509 N 0.18 -0.72 -0.35 0.00 0.87 -0.69 -0.14 113.55 112.71 1xck h SER 509 Ca 0.25 -0.02 -0.09 0.00 -1.23 0.00 0.00 61.79 60.70 1xck h SER 509 Cb 0.75 0.19 -0.02 0.00 -0.44 0.00 0.00 62.40 62.87 1xck h SER 509 CO -0.04 -0.40 -0.09 1.62 -0.53 0.00 0.00 176.83 177.40 1xck h VAL 510 N -1.06 1.25 -0.69 2.23 3.04 -1.15 -2.27 116.25 117.59 1xck h VAL 510 Ca -0.09 -1.13 -0.02 0.00 -1.01 0.00 0.00 66.70 64.46 1xck h VAL 510 Cb 0.70 1.01 -0.03 0.00 -2.01 0.00 0.00 31.29 30.96 1xck h VAL 510 CO 0.14 0.39 0.37 0.00 -1.01 0.00 0.00 177.57 177.46 1xck h ALA 511 N 1.20 0.89 -0.85 3.17 0.00 -1.02 -1.51 119.26 121.15 1xck h ALA 511 Ca 0.12 -0.12 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 1xck h ALA 511 Cb 0.56 -0.28 -0.04 0.00 0.00 0.00 0.00 17.79 18.03 1xck h ALA 511 CO 0.03 0.41 0.46 0.78 0.00 0.00 0.00 179.25 180.93 1xck h GLY 512 N 0.95 1.27 0.95 0.00 0.00 -0.75 -1.63 103.07 103.86 1xck h GLY 512 Ca 0.24 -0.58 -0.01 0.00 0.00 0.00 0.00 47.33 46.98 1xck h GLY 512 CO -0.04 0.56 0.17 1.41 0.00 0.00 0.00 176.54 178.64 1xck h LEU 513 N 1.18 0.48 -0.35 3.11 3.38 -0.81 -2.65 115.31 119.65 1xck h LEU 513 Ca 0.30 -0.13 -0.04 0.00 0.09 0.00 0.00 57.88 58.10 1xck h LEU 513 Cb 0.04 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.65 1xck h LEU 513 CO -0.05 0.48 0.08 0.24 0.09 0.00 0.00 178.44 179.28 1xck h MET 514 N 0.45 0.56 -0.23 1.13 2.86 -1.11 -2.52 114.93 116.08 1xck h MET 514 Ca 0.12 -0.14 0.07 0.00 -2.06 0.00 0.00 59.70 57.69 1xck h MET 514 Cb 0.13 -0.07 -0.01 0.00 0.06 0.00 0.00 31.60 31.71 1xck h MET 514 CO -0.01 0.62 0.17 0.82 1.06 0.00 0.00 176.91 179.57 1xck h ILE 515 N 0.41 0.81 -0.85 -1.22 2.04 -1.23 -0.68 117.51 116.79 1xck h ILE 515 Ca 0.11 0.00 -0.38 0.00 1.00 0.00 0.00 64.86 65.59 1xck h ILE 515 Cb 0.31 0.88 -0.22 0.00 -0.74 0.00 0.00 36.82 37.04 1xck h ILE 515 CO 0.00 0.00 0.46 0.35 0.00 0.00 0.00 178.15 178.96 1xck n THR 516 N -4.36 3.06 -3.91 -0.27 -2.24 -0.96 -4.82 114.28 100.77 1xck n THR 516 Ca 0.02 -1.86 -0.35 0.00 -2.27 0.00 0.00 64.05 59.59 1xck n THR 516 Cb 0.32 -0.42 -0.09 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 -3.18 5.05 -0.04 4.28 2.01 -0.27 -4.97 115.64 118.53 1xck s THR 517 Ca 0.55 0.06 0.05 0.00 0.31 0.00 0.00 61.69 62.66 1xck s THR 517 Cb 0.46 -3.27 -0.08 0.00 0.01 0.00 0.00 72.50 69.62 1xck s THR 517 CO 0.11 0.47 0.13 -0.62 -0.69 0.00 0.00 174.62 174.03 1xck n GLU 518 N 3.33 0.91 -3.85 4.92 -0.58 -1.26 -4.81 120.64 119.30 1xck n GLU 518 Ca -0.17 -0.04 -0.12 0.00 -0.42 0.00 0.00 57.16 56.41 1xck n GLU 518 Cb 0.52 -1.07 -0.12 0.00 -0.57 0.00 0.00 31.44 30.21 1xck n GLU 518 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1xck s MET 520 N -0.53 0.89 -0.12 0.00 -1.94 -0.39 -5.01 119.30 112.20 1xck s MET 520 Ca -0.06 -0.21 0.03 0.00 -1.71 0.00 0.00 55.69 53.74 1xck s MET 520 Cb -0.04 -0.85 0.01 0.00 2.01 0.00 0.00 34.83 35.96 1xck s MET 520 CO 0.01 0.02 -0.20 0.08 -0.01 0.00 0.00 175.02 174.92 1xck s VAL 521 N 0.52 1.84 0.24 -6.03 1.01 -1.26 -1.35 120.40 115.36 1xck s VAL 521 Ca -0.07 -0.86 -0.05 0.00 0.00 0.00 0.00 61.98 61.00 1xck s VAL 521 Cb -0.11 -1.63 -0.02 0.00 0.00 0.00 0.00 36.38 34.61 1xck s VAL 521 CO 0.01 0.51 0.29 0.28 0.00 0.00 0.00 175.10 176.19 1xck s THR 522 N 0.76 0.00 0.69 3.92 -1.32 -0.94 -4.98 115.64 113.76 1xck s THR 522 Ca -0.10 -1.75 -0.11 0.00 -1.21 0.00 0.00 61.69 58.52 1xck s THR 522 Cb -0.16 -2.41 0.00 0.00 -1.51 0.00 0.00 72.50 68.43 1xck s THR 522 CO 0.01 0.00 1.06 -1.81 -2.21 0.00 0.00 174.62 171.67 1xck s ASP 523 N -3.13 5.39 0.10 8.08 1.11 -1.26 -0.10 116.67 126.87 1xck s ASP 523 Ca 0.32 1.65 -0.30 0.00 0.18 0.00 0.00 52.55 54.40 1xck s ASP 523 Cb 0.03 -2.50 -0.06 0.00 1.07 0.00 0.00 42.92 41.46 1xck s ASP 523 CO 0.13 -1.43 1.09 -0.22 1.18 0.00 0.00 175.17 175.91 1xck s LEU 524 N -5.43 4.43 0.00 1.23 2.96 -1.18 -4.49 118.68 116.21 1xck s LEU 524 Ca 0.59 1.94 0.00 0.00 -0.22 0.00 0.00 54.13 56.44 1xck s LEU 524 Cb -0.14 -3.59 0.00 0.00 0.50 0.00 0.00 46.19 42.96 1xck s LEU 524 CO 0.53 -0.28 0.24 -0.81 -1.32 0.00 0.00 176.35 174.71