#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xck n ALA 3 N 0.00 1.33 -2.32 0.00 0.00 -1.26 -4.95 120.51 113.31 1xck n ALA 3 Ca 0.00 0.41 -0.21 0.00 0.00 0.00 0.00 53.44 53.65 1xck n ALA 3 Cb 0.00 -2.31 -0.03 0.00 0.00 0.00 0.00 19.45 17.11 1xck n ALA 3 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1xck s LYS 4 N -0.20 2.65 -0.20 0.00 -0.14 -1.26 -3.10 119.74 117.49 1xck s LYS 4 Ca 0.69 -1.40 0.00 0.00 -1.36 0.00 0.00 55.97 53.90 1xck s LYS 4 Cb -0.63 -2.46 0.02 0.00 -1.68 0.00 0.00 37.83 33.08 1xck s LYS 4 CO 0.47 -0.08 -0.16 0.34 -0.76 0.00 0.00 175.35 175.17 1xck s ASP 5 N -4.10 3.55 -0.13 2.83 -1.08 0.21 -4.73 116.67 113.22 1xck s ASP 5 Ca 0.46 -0.73 -0.01 0.00 -0.52 0.00 0.00 52.55 51.75 1xck s ASP 5 Cb -0.05 -1.54 -0.02 0.00 -1.46 0.00 0.00 42.92 39.86 1xck s ASP 5 CO 0.28 -0.04 -0.11 -0.69 0.52 0.00 0.00 175.17 175.13 1xck s VAL 6 N 1.29 3.20 0.08 1.11 1.01 -1.26 -1.88 120.40 123.95 1xck s VAL 6 Ca 0.03 -0.61 0.09 0.00 0.00 0.00 0.00 61.98 61.49 1xck s VAL 6 Cb -0.14 -2.35 -0.03 0.00 0.00 0.00 0.00 36.38 33.85 1xck s VAL 6 CO -0.10 0.52 -0.24 -0.54 0.00 0.00 0.00 175.10 174.74 1xck s LYS 7 N 0.30 1.45 0.35 2.72 1.02 -0.33 -4.98 119.74 120.27 1xck s LYS 7 Ca -0.09 -1.15 0.08 0.00 0.02 0.00 0.00 55.97 54.83 1xck s LYS 7 Cb -0.15 -1.73 -0.07 0.00 -0.52 0.00 0.00 37.83 35.36 1xck s LYS 7 CO 0.05 0.43 -0.06 -0.06 -0.92 0.00 0.00 175.35 174.79 1xck s PHE 8 N -0.95 2.33 0.00 3.18 0.08 -1.26 -0.85 117.98 120.50 1xck s PHE 8 Ca 0.10 -0.59 0.00 0.00 0.12 0.00 0.00 56.93 56.56 1xck s PHE 8 Cb -0.10 -1.42 0.00 0.00 -0.57 0.00 0.00 43.02 40.94 1xck s PHE 8 CO 0.04 0.47 0.00 0.41 -0.10 0.00 0.00 175.22 176.04 1xck n GLY 9 N -0.79 1.00 0.32 4.36 0.00 0.10 -2.00 105.19 108.19 1xck n GLY 9 Ca -0.05 -0.04 0.13 0.00 0.00 0.00 0.00 46.02 46.06 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 0.51 -0.97 1.61 -0.73 -1.93 -0.03 115.58 114.04 1xck h ASN 10 Ca 0.00 0.13 0.05 0.00 1.87 0.00 0.00 56.30 58.34 1xck h ASN 10 Cb 0.00 0.06 -0.06 0.00 0.27 0.00 0.00 38.32 38.59 1xck h ASN 10 CO 0.00 0.11 0.63 -0.78 -0.37 0.00 0.00 177.43 177.02 1xck h ASP 11 N 0.54 1.03 -0.08 1.15 3.58 -1.86 -1.24 116.42 119.54 1xck h ASP 11 Ca 0.56 -0.00 -0.04 0.00 0.42 0.00 0.00 57.03 57.97 1xck h ASP 11 Cb 0.98 -0.23 -0.00 0.00 1.72 0.00 0.00 39.33 41.80 1xck h ASP 11 CO -0.46 0.69 -0.11 0.00 -2.88 0.00 0.00 179.24 176.49 1xck h ALA 12 N 1.45 0.12 -0.95 -0.78 0.00 -0.40 -3.20 119.26 115.49 1xck h ALA 12 Ca 0.39 -0.31 0.02 0.00 0.00 0.00 0.00 54.91 55.01 1xck h ALA 12 Cb 0.06 -0.02 -0.05 0.00 0.00 0.00 0.00 17.79 17.78 1xck h ALA 12 CO -0.13 -0.03 0.63 0.00 0.00 0.00 0.00 179.25 179.72 1xck h ARG 13 N -0.24 1.21 -0.55 0.00 3.08 -0.85 -1.88 114.38 115.16 1xck h ARG 13 Ca 0.01 -0.07 -0.07 0.00 0.07 0.00 0.00 59.98 59.92 1xck h ARG 13 Cb 0.65 -0.27 -0.02 0.00 0.08 0.00 0.00 29.97 30.40 1xck h ARG 13 CO 0.02 0.80 0.07 -0.39 -1.07 0.00 0.00 179.97 179.41 1xck h VAL 14 N 1.25 1.24 -0.37 2.04 -1.51 -1.31 -0.94 116.25 116.65 1xck h VAL 14 Ca 0.36 -0.95 0.00 0.00 -1.23 0.00 0.00 66.70 64.89 1xck h VAL 14 Cb -0.08 0.74 -0.02 0.00 -2.13 0.00 0.00 31.29 29.80 1xck h VAL 14 CO -0.09 0.35 0.24 0.11 -1.23 0.00 0.00 177.57 176.95 1xck h LYS 15 N 0.83 0.49 0.25 5.19 1.79 -1.38 0.82 116.57 124.56 1xck h LYS 15 Ca 0.17 -0.03 -0.01 0.00 -2.18 0.00 0.00 60.65 58.60 1xck h LYS 15 Cb 0.39 -0.11 0.00 0.00 -1.58 0.00 0.00 32.23 30.93 1xck h LYS 15 CO 0.01 0.33 -0.12 0.52 -1.08 0.00 0.00 179.45 179.11 1xck h MET 16 N 0.50 -0.32 -0.22 3.15 2.86 -1.01 -1.67 114.93 118.22 1xck h MET 16 Ca 0.14 0.02 0.06 0.00 -2.06 0.00 0.00 59.70 57.85 1xck h MET 16 Cb -0.05 0.07 -0.06 0.00 0.06 0.00 0.00 31.60 31.62 1xck h MET 16 CO -0.03 -0.19 -0.19 1.25 1.06 0.00 0.00 176.91 178.82 1xck h LEU 17 N -0.38 -0.61 -0.88 1.22 5.85 -0.97 0.55 115.31 120.11 1xck h LEU 17 Ca -0.03 0.12 0.20 0.00 0.84 0.00 0.00 57.88 59.00 1xck h LEU 17 Cb 0.29 0.30 -0.12 0.00 0.37 0.00 0.00 40.66 41.50 1xck h LEU 17 CO 0.06 -0.23 0.39 -0.09 -0.34 0.00 0.00 178.44 178.23 1xck h ARG 18 N -0.20 0.43 -0.27 1.25 9.65 -0.71 0.17 114.38 124.72 1xck h ARG 18 Ca 0.13 -0.03 -0.11 0.00 -1.10 0.00 0.00 59.98 58.87 1xck h ARG 18 Cb 0.39 -0.10 -0.00 0.00 -1.39 0.00 0.00 29.97 28.87 1xck h ARG 18 CO -0.34 0.29 -0.27 0.78 2.80 0.00 0.00 179.97 183.23 1xck h GLY 19 N 0.45 0.71 2.00 2.80 0.00 -0.06 -2.89 103.07 106.07 1xck h GLY 19 Ca 0.53 -0.73 -0.04 0.00 0.00 0.00 0.00 47.33 47.10 1xck h GLY 19 CO -0.49 0.66 -0.17 -0.39 0.00 0.00 0.00 176.54 176.15 1xck h VAL 20 N 0.38 0.42 -0.37 4.60 -1.51 0.23 -2.81 116.25 117.19 1xck h VAL 20 Ca 0.04 -0.97 -0.11 0.00 -1.23 0.00 0.00 66.70 64.43 1xck h VAL 20 Cb 0.83 1.70 -0.01 0.00 -2.13 0.00 0.00 31.29 31.68 1xck h VAL 20 CO 0.07 0.17 -0.23 0.78 -1.23 0.00 0.00 177.57 177.12 1xck h ASN 21 N 0.00 0.75 0.01 4.19 2.35 -0.53 0.31 115.58 122.66 1xck h ASN 21 Ca -0.00 -0.27 -0.00 0.00 -0.55 0.00 0.00 56.30 55.48 1xck h ASN 21 Cb 0.69 -0.20 0.00 0.00 0.05 0.00 0.00 38.32 38.86 1xck h ASN 21 CO 0.02 0.96 -0.01 0.58 -1.65 0.00 0.00 177.43 177.33 1xck h VAL 22 N 0.64 1.17 0.17 2.81 2.07 -1.30 0.12 116.25 121.94 1xck h VAL 22 Ca 0.09 -0.56 0.01 0.00 0.82 0.00 0.00 66.70 67.06 1xck h VAL 22 Cb 0.73 1.55 -0.02 0.00 -1.52 0.00 0.00 31.29 32.03 1xck h VAL 22 CO 0.06 0.14 -0.22 0.25 0.02 0.00 0.00 177.57 177.83 1xck h LEU 23 N -0.26 -0.59 -0.38 2.57 5.85 -1.30 -1.46 115.31 119.74 1xck h LEU 23 Ca -0.00 0.06 -0.01 0.00 0.84 0.00 0.00 57.88 58.77 1xck h LEU 23 Cb 0.25 0.21 -0.02 0.00 0.37 0.00 0.00 40.66 41.47 1xck h LEU 23 CO 0.00 -0.31 0.21 0.00 -0.34 0.00 0.00 178.44 178.00 1xck h ALA 24 N 0.31 0.49 -0.49 1.25 0.00 -0.36 -1.83 119.26 118.62 1xck h ALA 24 Ca 0.01 -0.08 -0.03 0.00 0.00 0.00 0.00 54.91 54.81 1xck h ALA 24 Cb 0.43 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.04 1xck h ALA 24 CO -0.08 0.02 0.17 -0.44 0.00 0.00 0.00 179.25 178.92 1xck h ASP 25 N 0.49 0.65 -0.26 0.00 3.32 -0.63 0.17 116.42 120.15 1xck h ASP 25 Ca 0.13 -0.08 -0.19 0.00 0.02 0.00 0.00 57.03 56.92 1xck h ASP 25 Cb 0.07 -0.17 0.00 0.00 0.22 0.00 0.00 39.33 39.45 1xck h ASP 25 CO -0.02 0.60 -0.55 0.00 -1.72 0.00 0.00 179.24 177.55 1xck h ALA 26 N 1.49 0.48 0.18 3.45 0.00 -1.08 -3.33 119.26 120.46 1xck h ALA 26 Ca 0.17 -0.52 -0.26 0.00 0.00 0.00 0.00 54.91 54.30 1xck h ALA 26 Cb 0.18 -0.08 0.03 0.00 0.00 0.00 0.00 17.79 17.92 1xck h ALA 26 CO -0.01 0.68 -1.13 0.28 0.00 0.00 0.00 179.25 179.07 1xck h VAL 27 N 0.66 1.39 0.00 0.00 2.07 -0.95 -3.36 116.25 116.05 1xck h VAL 27 Ca 0.01 -2.57 0.00 0.00 0.82 0.00 0.00 66.70 64.96 1xck h VAL 27 Cb 1.16 3.05 0.00 0.00 -1.52 0.00 0.00 31.29 33.98 1xck h VAL 27 CO 0.12 0.75 0.00 0.07 0.02 0.00 0.00 177.57 178.53 1xck h LYS 28 N -0.07 0.00 0.00 1.57 2.10 -0.80 -2.51 116.57 116.86 1xck h LYS 28 Ca -0.19 0.00 -0.03 0.00 -2.00 0.00 0.00 60.65 58.43 1xck h LYS 28 Cb 1.87 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 33.20 1xck h LYS 28 CO 0.21 0.00 -0.15 -0.39 -2.00 0.00 0.00 179.45 177.12 1xck h VAL 29 N 0.00 0.70 0.00 0.07 -1.51 -1.71 -2.30 116.25 111.50 1xck h VAL 29 Ca 0.00 -0.61 -0.16 0.00 -1.23 0.00 0.00 66.70 64.70 1xck h VAL 29 Cb 0.22 1.37 -0.02 0.00 -2.13 0.00 0.00 31.29 30.72 1xck h VAL 29 CO 0.00 0.14 -0.78 0.71 -1.23 0.00 0.00 177.57 176.42 1xck h THR 30 N 0.00 1.34 -2.11 7.19 1.35 -1.63 -0.18 112.91 118.87 1xck h THR 30 Ca -0.00 -2.88 -0.63 0.00 -0.55 0.00 0.00 66.41 62.35 1xck h THR 30 Cb 0.36 2.65 0.10 0.00 -1.73 0.00 0.00 68.15 69.53 1xck h THR 30 CO 0.02 0.76 0.08 -0.11 -0.25 0.00 0.00 175.52 176.02 1xck n LEU 31 N -3.30 1.30 0.00 3.87 7.94 -0.87 -4.00 117.00 121.94 1xck n LEU 31 Ca 0.01 1.16 0.00 0.00 -1.11 0.00 0.00 56.01 56.07 1xck n LEU 31 Cb 0.84 -1.22 0.00 0.00 0.53 0.00 0.00 43.42 43.57 1xck n LEU 31 CO 0.44 -1.59 0.00 0.61 -1.11 0.00 0.00 177.39 175.75 1xck n GLY 32 N 1.56 0.14 0.23 -3.96 0.00 -1.26 -4.00 105.19 97.90 1xck n GLY 32 Ca 0.12 -1.81 0.14 0.00 0.00 0.00 0.00 46.02 44.48 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 -0.71 1.61 0.13 -1.91 -2.82 132.00 128.30 1xck h PRO 33 Ca 0.00 0.00 -0.28 0.00 -0.87 0.00 0.00 66.00 64.85 1xck h PRO 33 Cb 0.00 0.00 -0.16 0.00 0.13 0.00 0.00 31.00 30.97 1xck h PRO 33 CO 0.00 0.00 0.30 1.63 -0.23 0.00 0.00 178.00 179.70 1xck n LYS 34 N -3.05 2.94 -1.71 0.86 4.76 -1.26 -5.00 118.16 115.70 1xck n LYS 34 Ca 0.03 -3.07 -0.37 0.00 -2.87 0.00 0.00 58.31 52.03 1xck n LYS 34 Cb 0.44 -2.11 0.06 0.00 -1.84 0.00 0.00 35.03 31.59 1xck n LYS 34 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1xck n GLY 35 N -0.62 0.44 3.97 0.72 0.00 -1.07 -4.64 105.19 103.99 1xck n GLY 35 Ca 0.43 -0.13 -0.23 0.00 0.00 0.00 0.00 46.02 46.09 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 -3.23 2.19 0.05 1.61 1.81 -0.08 -4.92 118.95 116.39 1xck s ARG 36 Ca 0.81 -0.75 -0.10 0.00 -1.72 0.00 0.00 55.73 53.97 1xck s ARG 36 Cb -0.39 -2.36 -0.06 0.00 -0.45 0.00 0.00 34.95 31.69 1xck s ARG 36 CO 0.42 -1.06 0.38 -0.80 -0.68 0.00 0.00 175.30 173.56 1xck s ASN 37 N -4.54 6.65 -0.10 0.23 0.02 -1.26 -4.30 114.94 111.64 1xck s ASN 37 Ca 0.61 0.79 0.04 0.00 -1.02 0.00 0.00 52.86 53.28 1xck s ASN 37 Cb -0.09 -2.18 -0.00 0.00 0.02 0.00 0.00 41.25 39.00 1xck s ASN 37 CO 0.42 0.21 -0.23 -0.69 0.02 0.00 0.00 177.10 176.83 1xck s VAL 38 N -1.33 2.20 -0.29 1.60 1.01 0.95 -4.93 120.40 119.61 1xck s VAL 38 Ca 0.30 -0.98 -0.13 0.00 0.00 0.00 0.00 61.98 61.18 1xck s VAL 38 Cb -0.14 -1.84 -0.04 0.00 0.00 0.00 0.00 36.38 34.35 1xck s VAL 38 CO 0.17 0.56 0.28 -0.69 0.00 0.00 0.00 175.10 175.41 1xck s VAL 39 N 0.28 5.24 -0.29 2.92 1.01 -1.26 -1.35 120.40 126.95 1xck s VAL 39 Ca -0.16 0.29 -0.08 0.00 0.00 0.00 0.00 61.98 62.03 1xck s VAL 39 Cb -0.17 -3.63 -0.01 0.00 0.00 0.00 0.00 36.38 32.57 1xck s VAL 39 CO 0.08 0.17 0.11 -0.76 0.00 0.00 0.00 175.10 174.69 1xck s LEU 40 N 1.90 3.83 0.23 3.92 1.43 0.80 -4.93 118.68 125.86 1xck s LEU 40 Ca 0.10 -0.49 -0.30 0.00 -1.03 0.00 0.00 54.13 52.42 1xck s LEU 40 Cb -0.16 -1.94 -0.09 0.00 0.03 0.00 0.00 46.19 44.03 1xck s LEU 40 CO 0.11 -0.15 1.07 -0.62 0.23 0.00 0.00 176.35 176.99 1xck s ASP 41 N 1.58 7.33 -0.07 2.29 2.15 -1.26 -0.41 116.67 128.28 1xck s ASP 41 Ca 0.04 2.13 0.05 0.00 0.43 0.00 0.00 52.55 55.20 1xck s ASP 41 Cb -0.16 -2.61 -0.01 0.00 -0.30 0.00 0.00 42.92 39.83 1xck s ASP 41 CO 0.04 -0.12 -0.23 -0.54 -0.17 0.00 0.00 175.17 174.15 1xck s LYS 42 N -0.91 2.70 0.46 4.34 1.02 -1.26 -4.94 119.74 121.15 1xck s LYS 42 Ca 0.46 -0.86 0.22 0.00 0.02 0.00 0.00 55.97 55.81 1xck s LYS 42 Cb -0.30 -2.25 1.22 0.00 -0.52 0.00 0.00 37.83 35.98 1xck s LYS 42 CO 0.37 0.36 1.88 0.66 -0.92 0.00 0.00 175.35 177.69 1xck h SER 43 N 6.15 0.26 -3.60 2.83 4.64 -1.96 -3.39 113.55 118.48 1xck h SER 43 Ca -0.31 0.03 -0.65 0.00 -0.47 0.00 0.00 61.79 60.39 1xck h SER 43 Cb 1.19 -0.02 -0.22 0.00 -0.31 0.00 0.00 62.40 63.04 1xck h SER 43 CO 0.48 0.11 -0.62 -0.36 -0.87 0.00 0.00 176.83 175.57 1xck s PHE 44 N -5.27 3.09 0.00 4.77 0.08 -1.26 -5.03 117.98 114.37 1xck s PHE 44 Ca -0.07 -0.38 0.00 0.00 0.12 0.00 0.00 56.93 56.60 1xck s PHE 44 Cb 0.22 -2.21 0.00 0.00 -0.57 0.00 0.00 43.02 40.46 1xck s PHE 44 CO 0.78 -0.30 0.00 0.41 -0.10 0.00 0.00 175.22 176.00 1xck n GLY 45 N 4.74 -0.25 3.87 4.36 0.00 -1.26 -4.90 105.19 111.74 1xck n GLY 45 Ca -0.16 -1.17 -0.31 0.00 0.00 0.00 0.00 46.02 44.37 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 -1.25 3.40 1.02 4.61 0.00 -1.26 -4.86 121.76 123.42 1xck s ALA 46 Ca 0.00 -0.15 -0.12 0.00 0.00 0.00 0.00 51.96 51.69 1xck s ALA 46 Cb 0.00 -2.65 0.20 0.00 0.00 0.00 0.00 23.12 20.67 1xck s ALA 46 CO 0.00 0.23 1.08 -2.14 0.00 0.00 0.00 175.76 174.93 1xck s PRO 47 N -3.31 0.21 -0.19 0.00 0.02 -1.26 -4.63 135.00 125.84 1xck s PRO 47 Ca 0.51 0.93 -0.08 0.00 0.02 0.00 0.00 61.00 62.39 1xck s PRO 47 Cb -0.10 -1.68 -0.04 0.00 0.02 0.00 0.00 34.50 32.70 1xck s PRO 47 CO 0.24 -2.99 0.07 0.99 -0.33 0.00 0.00 177.00 174.98 1xck s THR 48 N -2.69 4.78 -0.18 0.99 2.01 0.45 -4.94 115.64 116.07 1xck s THR 48 Ca 0.66 -0.03 -0.07 0.00 0.31 0.00 0.00 61.69 62.56 1xck s THR 48 Cb -0.22 -3.16 -0.04 0.00 0.01 0.00 0.00 72.50 69.09 1xck s THR 48 CO 0.60 0.45 0.04 -0.63 -0.69 0.00 0.00 174.62 174.39 1xck s ILE 49 N 0.46 4.59 0.09 1.82 1.01 -1.26 -0.14 121.20 127.77 1xck s ILE 49 Ca 0.03 -0.10 -0.10 0.00 0.00 0.00 0.00 60.65 60.48 1xck s ILE 49 Cb -0.13 -3.06 0.01 0.00 0.01 0.00 0.00 42.46 39.29 1xck s ILE 49 CO 0.01 0.46 0.23 0.28 0.00 0.00 0.00 174.94 175.92 1xck s THR 50 N 0.39 0.13 -0.06 2.92 -1.32 -0.46 -4.95 115.64 112.29 1xck s THR 50 Ca 0.02 -1.04 0.09 0.00 -1.21 0.00 0.00 61.69 59.55 1xck s THR 50 Cb -0.13 -1.27 0.14 0.00 -1.51 0.00 0.00 72.50 69.73 1xck s THR 50 CO 0.01 -0.57 1.03 0.29 -2.21 0.00 0.00 174.62 173.17 1xck n LYS 51 N -0.03 1.61 -3.16 7.08 5.02 -1.26 -0.04 118.16 127.39 1xck n LYS 51 Ca -0.16 -1.87 -0.43 0.00 -2.02 0.00 0.00 58.31 53.83 1xck n LYS 51 Cb 0.62 -1.14 -0.07 0.00 -0.02 0.00 0.00 35.03 34.43 1xck n LYS 51 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 1xck s ASP 52 N -1.80 6.25 0.41 4.39 2.15 -1.26 -4.83 116.67 121.97 1xck s ASP 52 Ca 0.15 -0.70 0.14 0.00 0.43 0.00 0.00 52.55 52.57 1xck s ASP 52 Cb 0.13 -2.29 1.00 0.00 -0.30 0.00 0.00 42.92 41.46 1xck s ASP 52 CO 0.01 -0.82 1.91 1.23 -0.17 0.00 0.00 175.17 177.33 1xck h GLY 53 N 9.64 0.81 1.04 2.66 0.00 -1.94 -1.51 103.07 113.78 1xck h GLY 53 Ca -0.27 -0.21 -0.08 0.00 0.00 0.00 0.00 47.33 46.78 1xck h GLY 53 CO 0.92 0.07 0.05 -2.08 0.00 0.00 0.00 176.54 175.50 1xck h VAL 54 N 0.48 1.26 -0.25 4.60 2.07 -1.96 -0.39 116.25 122.06 1xck h VAL 54 Ca 0.38 -1.06 -0.02 0.00 0.82 0.00 0.00 66.70 66.82 1xck h VAL 54 Cb 0.80 0.81 -0.01 0.00 -1.52 0.00 0.00 31.29 31.37 1xck h VAL 54 CO -0.13 0.39 0.08 0.28 0.02 0.00 0.00 177.57 178.20 1xck h SER 55 N 0.89 0.35 -0.15 0.57 0.02 -1.72 -1.90 113.55 111.61 1xck h SER 55 Ca 0.17 -0.19 0.01 0.00 -0.84 0.00 0.00 61.79 60.93 1xck h SER 55 Cb 0.48 -0.09 -0.01 0.00 0.14 0.00 0.00 62.40 62.92 1xck h SER 55 CO 0.02 0.45 0.08 0.58 -1.14 0.00 0.00 176.83 176.83 1xck h VAL 56 N 0.24 1.01 -0.90 2.27 2.07 -1.29 -2.71 116.25 116.94 1xck h VAL 56 Ca 0.08 -0.06 0.06 0.00 0.82 0.00 0.00 66.70 67.60 1xck h VAL 56 Cb 0.22 0.82 -0.06 0.00 -1.52 0.00 0.00 31.29 30.75 1xck h VAL 56 CO -0.00 0.03 0.57 0.00 0.02 0.00 0.00 177.57 178.18 1xck h ALA 57 N 1.07 1.23 -0.98 1.67 0.00 -0.94 -1.87 119.26 119.45 1xck h ALA 57 Ca 0.06 -0.02 0.15 0.00 0.00 0.00 0.00 54.91 55.10 1xck h ALA 57 Cb 0.00 -0.26 -0.09 0.00 0.00 0.00 0.00 17.79 17.44 1xck h ALA 57 CO -0.03 0.34 0.59 -0.09 0.00 0.00 0.00 179.25 180.05 1xck h ARG 58 N 1.04 0.83 0.00 0.00 2.43 -1.02 -1.52 114.38 116.14 1xck h ARG 58 Ca 0.39 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.51 1xck h ARG 58 Cb 0.15 -0.19 0.00 0.00 -0.42 0.00 0.00 29.97 29.51 1xck h ARG 58 CO -0.17 0.55 0.00 0.39 -1.51 0.00 0.00 179.97 179.23 1xck n GLU 59 N -4.71 0.17 -2.58 0.20 -0.58 -0.71 -4.83 120.64 107.59 1xck n GLU 59 Ca 0.20 0.24 -0.43 0.00 -0.42 0.00 0.00 57.16 56.75 1xck n GLU 59 Cb 0.44 -1.73 -0.02 0.00 -0.57 0.00 0.00 31.44 29.56 1xck n GLU 59 CO 0.00 0.00 0.00 0.42 -0.48 0.00 0.00 177.13 177.07 1xck s ILE 60 N -3.13 4.47 -0.14 -3.67 -1.09 -0.58 -4.99 121.20 112.07 1xck s ILE 60 Ca 0.09 1.73 -0.06 0.00 -2.23 0.00 0.00 60.65 60.17 1xck s ILE 60 Cb 0.12 -4.28 0.06 0.00 -1.58 0.00 0.00 42.46 36.79 1xck s ILE 60 CO 0.49 -0.33 0.32 -0.70 -1.23 0.00 0.00 174.94 173.49 1xck s GLU 61 N 3.57 0.26 0.05 2.79 2.12 -1.26 -4.90 118.70 121.33 1xck s GLU 61 Ca 0.48 0.72 0.00 0.00 0.36 0.00 0.00 54.97 56.53 1xck s GLU 61 Cb -0.15 -0.02 -0.04 0.00 0.26 0.00 0.00 34.13 34.18 1xck s GLU 61 CO 0.14 -0.20 0.18 -0.51 -0.54 0.00 0.00 175.26 174.32 1xck s LEU 62 N 1.73 4.25 0.13 2.70 1.43 -1.26 -5.03 118.68 122.63 1xck s LEU 62 Ca -0.06 0.23 -0.12 0.00 -1.03 0.00 0.00 54.13 53.15 1xck s LEU 62 Cb -0.10 -2.80 -0.05 0.00 0.03 0.00 0.00 46.19 43.27 1xck s LEU 62 CO -0.10 0.19 1.47 -0.08 0.23 0.00 0.00 176.35 178.06 1xck h GLU 63 N 3.28 0.85 -6.35 1.70 4.81 -2.00 -3.42 114.58 113.46 1xck h GLU 63 Ca -0.46 -0.42 -0.54 0.00 -0.13 0.00 0.00 59.36 57.80 1xck h GLU 63 Cb 1.17 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.55 1xck h GLU 63 CO 0.73 1.06 0.97 0.34 -0.73 0.00 0.00 179.01 181.38 1xck s ASP 64 N -6.67 6.72 0.22 1.04 -1.08 -1.26 -4.90 116.67 110.74 1xck s ASP 64 Ca -0.12 2.24 -0.07 0.00 -0.52 0.00 0.00 52.55 54.08 1xck s ASP 64 Cb 0.10 -2.55 0.31 0.00 -1.46 0.00 0.00 42.92 39.33 1xck s ASP 64 CO 0.86 -0.84 1.78 0.11 0.52 0.00 0.00 175.17 177.60 1xck h LYS 65 N 8.58 0.60 0.02 4.34 1.79 -1.94 0.37 116.57 130.33 1xck h LYS 65 Ca -0.39 -0.04 -0.00 0.00 -2.18 0.00 0.00 60.65 58.04 1xck h LYS 65 Cb 1.18 -0.13 0.00 0.00 -1.58 0.00 0.00 32.23 31.70 1xck h LYS 65 CO 0.93 0.40 -0.01 0.74 -1.08 0.00 0.00 179.45 180.43 1xck h PHE 66 N 0.62 -0.03 -0.95 -1.35 0.04 -1.93 -2.06 116.94 111.28 1xck h PHE 66 Ca 0.34 -0.00 0.09 0.00 2.80 0.00 0.00 57.97 61.20 1xck h PHE 66 Cb 0.33 0.01 -0.07 0.00 2.20 0.00 0.00 35.95 38.42 1xck h PHE 66 CO -0.10 0.39 0.61 0.93 -0.60 0.00 0.00 178.31 179.54 1xck h GLU 67 N -0.45 0.98 -0.45 1.51 5.08 -1.62 -0.85 114.58 118.77 1xck h GLU 67 Ca -0.00 -0.06 -0.06 0.00 -1.00 0.00 0.00 59.36 58.24 1xck h GLU 67 Cb 0.43 -0.22 -0.02 0.00 0.50 0.00 0.00 28.75 29.44 1xck h GLU 67 CO 0.00 0.65 0.05 -0.97 -1.00 0.00 0.00 179.01 177.74 1xck h ASN 68 N 1.01 0.67 -0.61 1.42 -1.24 -0.79 -2.17 115.58 113.87 1xck h ASN 68 Ca 0.44 -0.14 -0.03 0.00 0.71 0.00 0.00 56.30 57.28 1xck h ASN 68 Cb 0.35 -0.18 -0.03 0.00 0.73 0.00 0.00 38.32 39.19 1xck h ASN 68 CO -0.19 0.71 0.27 0.24 -1.29 0.00 0.00 177.43 177.17 1xck h MET 69 N 0.68 0.93 -0.25 6.67 2.86 -0.43 0.91 114.93 126.30 1xck h MET 69 Ca 0.14 -0.14 -0.03 0.00 -2.06 0.00 0.00 59.70 57.62 1xck h MET 69 Cb 0.35 -0.17 -0.01 0.00 0.06 0.00 0.00 31.60 31.84 1xck h MET 69 CO 0.01 0.74 0.05 0.78 1.06 0.00 0.00 176.91 179.56 1xck h GLY 70 N 1.01 0.43 0.88 8.32 0.00 -1.00 -0.76 103.07 111.95 1xck h GLY 70 Ca 0.22 -0.28 -0.02 0.00 0.00 0.00 0.00 47.33 47.25 1xck h GLY 70 CO -0.02 0.26 0.07 0.00 0.00 0.00 0.00 176.54 176.85 1xck h ALA 71 N 0.87 0.32 -0.30 3.60 0.00 -1.03 -2.83 119.26 119.89 1xck h ALA 71 Ca 0.08 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 1xck h ALA 71 Cb 0.29 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 1xck h ALA 71 CO 0.00 -0.05 0.13 1.96 0.00 0.00 0.00 179.25 181.29 1xck h GLN 72 N 0.23 0.41 0.18 0.00 1.08 -0.73 -0.97 115.11 115.31 1xck h GLN 72 Ca 0.08 -0.04 -0.01 0.00 -1.45 0.00 0.00 58.65 57.23 1xck h GLN 72 Cb 0.24 -0.08 0.00 0.00 -0.05 0.00 0.00 27.48 27.59 1xck h GLN 72 CO -0.00 0.34 -0.09 0.52 -0.95 0.00 0.00 178.83 178.65 1xck h MET 73 N 0.42 -0.23 -0.03 1.46 2.86 -0.89 -1.23 114.93 117.29 1xck h MET 73 Ca 0.11 0.02 -0.15 0.00 -2.06 0.00 0.00 59.70 57.61 1xck h MET 73 Cb 0.07 0.05 -0.02 0.00 0.06 0.00 0.00 31.60 31.77 1xck h MET 73 CO -0.01 0.02 -0.68 -0.39 1.06 0.00 0.00 176.91 176.91 1xck h VAL 74 N -0.46 1.44 -0.60 -2.22 -1.51 -1.44 -2.90 116.25 108.55 1xck h VAL 74 Ca -0.02 -2.22 0.06 0.00 -1.23 0.00 0.00 66.70 63.29 1xck h VAL 74 Cb 0.36 2.18 -0.06 0.00 -2.13 0.00 0.00 31.29 31.64 1xck h VAL 74 CO 0.04 0.64 0.30 0.50 -1.23 0.00 0.00 177.57 177.83 1xck h LYS 75 N 0.09 0.55 -0.26 5.19 3.64 -1.10 0.28 116.57 124.95 1xck h LYS 75 Ca -0.01 -0.03 -0.06 0.00 -1.27 0.00 0.00 60.65 59.27 1xck h LYS 75 Cb 1.20 -0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 32.89 1xck h LYS 75 CO 0.10 0.36 -0.09 1.49 -2.27 0.00 0.00 179.45 179.04 1xck h GLU 76 N 0.56 0.52 -0.25 1.90 4.81 -1.11 -2.30 114.58 118.72 1xck h GLU 76 Ca 0.28 -0.21 -0.12 0.00 -0.13 0.00 0.00 59.36 59.17 1xck h GLU 76 Cb 0.22 -0.02 -0.00 0.00 0.63 0.00 0.00 28.75 29.57 1xck h GLU 76 CO -0.20 0.75 -0.32 0.28 -0.73 0.00 0.00 179.01 178.79 1xck h VAL 77 N 0.27 1.31 -0.41 0.32 2.07 -1.29 -3.04 116.25 115.47 1xck h VAL 77 Ca 0.06 -1.51 -0.00 0.00 0.82 0.00 0.00 66.70 66.07 1xck h VAL 77 Cb 0.57 1.70 -0.02 0.00 -1.52 0.00 0.00 31.29 32.02 1xck h VAL 77 CO 0.03 0.48 0.25 0.00 0.02 0.00 0.00 177.57 178.35 1xck h ALA 78 N 0.66 1.68 -0.24 1.67 0.00 -0.46 -1.48 119.26 121.09 1xck h ALA 78 Ca 0.03 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 1xck h ALA 78 Cb 0.90 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.51 1xck h ALA 78 CO 0.08 0.29 0.06 0.66 0.00 0.00 0.00 179.25 180.33 1xck h SER 79 N 0.56 0.30 -0.10 0.00 4.64 -1.29 -1.82 113.55 115.83 1xck h SER 79 Ca 0.15 -0.03 -0.04 0.00 -0.47 0.00 0.00 61.79 61.40 1xck h SER 79 Cb -0.03 -0.08 -0.01 0.00 -0.31 0.00 0.00 62.40 61.97 1xck h SER 79 CO -0.03 0.31 -0.02 0.11 -0.87 0.00 0.00 176.83 176.33 1xck h LYS 80 N 0.34 0.32 -0.49 4.77 1.57 -1.25 -2.01 116.57 119.83 1xck h LYS 80 Ca 0.08 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.81 1xck h LYS 80 Cb 0.13 -0.05 -0.02 0.00 0.08 0.00 0.00 32.23 32.36 1xck h LYS 80 CO -0.00 0.37 0.32 0.00 -0.57 0.00 0.00 179.45 179.57 1xck h ALA 81 N 1.67 0.62 -0.56 3.86 0.00 -1.36 0.63 119.26 124.12 1xck h ALA 81 Ca 0.07 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 54.90 1xck h ALA 81 Cb 0.26 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 1xck h ALA 81 CO 0.01 0.07 0.18 -0.97 0.00 0.00 0.00 179.25 178.54 1xck h ASN 82 N 0.66 0.80 -0.50 0.00 -1.24 -1.44 -1.33 115.58 112.53 1xck h ASN 82 Ca 0.18 -0.20 0.00 0.00 0.71 0.00 0.00 56.30 56.99 1xck h ASN 82 Cb -0.07 -0.21 -0.02 0.00 0.73 0.00 0.00 38.32 38.74 1xck h ASN 82 CO -0.04 0.79 0.32 0.44 -1.29 0.00 0.00 177.43 177.65 1xck h ASP 83 N 0.77 0.59 -0.26 1.15 3.32 -0.91 0.75 116.42 121.83 1xck h ASP 83 Ca 0.18 -0.03 -0.05 0.00 0.02 0.00 0.00 57.03 57.14 1xck h ASP 83 Cb 0.27 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 39.66 1xck h ASP 83 CO -0.01 0.45 -0.05 0.00 -1.72 0.00 0.00 179.24 177.91 1xck h ALA 84 N 1.17 0.35 0.00 3.45 0.00 -0.63 -3.37 119.26 120.22 1xck h ALA 84 Ca 0.18 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.83 1xck h ALA 84 Cb -0.05 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.65 1xck h ALA 84 CO -0.04 0.14 0.00 0.00 0.00 0.00 0.00 179.25 179.35 1xck n ALA 85 N -2.38 2.19 -1.01 0.00 0.00 -0.52 -5.00 120.51 113.79 1xck n ALA 85 Ca -0.04 -0.65 -0.00 0.00 0.00 0.00 0.00 53.44 52.76 1xck n ALA 85 Cb 0.29 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 19.74 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 -0.17 0.47 3.64 0.00 0.00 0.26 -4.67 105.19 104.72 1xck n GLY 86 Ca 0.00 -0.12 0.01 0.00 0.00 0.00 0.00 46.02 45.91 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 -2.12 -0.06 0.00 1.61 2.15 -1.23 -4.96 116.67 112.07 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 0.17 0.00 0.00 -0.30 0.00 0.00 42.92 42.79 1xck s ASP 87 CO 0.00 -0.32 0.00 0.61 -0.17 0.00 0.00 175.17 175.29 1xck n GLY 88 N -0.52 0.43 0.17 2.66 0.00 -1.26 -3.73 105.19 102.95 1xck n GLY 88 Ca -0.08 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.81 1xck n GLY 88 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1xck h THR 89 N 0.00 0.71 -0.48 2.61 2.02 -1.89 0.53 112.91 116.42 1xck h THR 89 Ca 0.00 0.00 0.04 0.00 0.77 0.00 0.00 66.41 67.22 1xck h THR 89 Cb 0.00 0.71 -0.04 0.00 -1.74 0.00 0.00 68.15 67.08 1xck h THR 89 CO 0.00 0.00 0.25 0.74 0.37 0.00 0.00 175.52 176.88 1xck h THR 90 N -0.31 0.98 0.17 3.16 2.02 -1.91 -1.02 112.91 116.00 1xck h THR 90 Ca -0.01 -0.17 0.01 0.00 0.77 0.00 0.00 66.41 67.01 1xck h THR 90 Cb 0.28 0.44 -0.03 0.00 -1.74 0.00 0.00 68.15 67.10 1xck h THR 90 CO -0.01 0.09 -0.25 0.74 0.37 0.00 0.00 175.52 176.46 1xck h THR 91 N 0.50 0.46 -1.00 3.16 2.02 -1.92 0.10 112.91 116.23 1xck h THR 91 Ca 0.21 0.00 0.16 0.00 0.77 0.00 0.00 66.41 67.55 1xck h THR 91 Cb 0.09 0.46 -0.10 0.00 -1.74 0.00 0.00 68.15 66.86 1xck h THR 91 CO -0.13 0.00 0.61 0.00 0.37 0.00 0.00 175.52 176.37 1xck h ALA 92 N 0.24 1.60 0.08 6.16 0.00 -0.63 0.89 119.26 127.59 1xck h ALA 92 Ca 0.02 0.06 -0.00 0.00 0.00 0.00 0.00 54.91 54.98 1xck h ALA 92 Cb 0.48 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.14 1xck h ALA 92 CO -0.11 0.05 -0.04 1.15 0.00 0.00 0.00 179.25 180.30 1xck h THR 93 N 0.85 1.08 -0.09 0.00 2.02 -0.24 0.13 112.91 116.66 1xck h THR 93 Ca 0.55 -0.59 -0.06 0.00 0.77 0.00 0.00 66.41 67.08 1xck h THR 93 Cb 0.74 1.46 -0.01 0.00 -1.74 0.00 0.00 68.15 68.60 1xck h THR 93 CO -0.34 0.14 -0.22 -0.37 0.37 0.00 0.00 175.52 175.11 1xck h VAL 94 N -0.37 1.20 -0.10 3.16 -1.51 -0.24 -0.73 116.25 117.65 1xck h VAL 94 Ca -0.01 -0.93 -0.01 0.00 -1.23 0.00 0.00 66.70 64.52 1xck h VAL 94 Cb 0.32 1.38 -0.00 0.00 -2.13 0.00 0.00 31.29 30.86 1xck h VAL 94 CO 0.02 0.28 0.01 -0.07 -1.23 0.00 0.00 177.57 176.58 1xck h LEU 95 N 0.13 0.17 -0.86 4.19 3.38 -0.71 -1.88 115.31 119.74 1xck h LEU 95 Ca 0.02 -0.28 0.07 0.00 0.09 0.00 0.00 57.88 57.78 1xck h LEU 95 Cb 0.47 -0.05 -0.06 0.00 0.09 0.00 0.00 40.66 41.11 1xck h LEU 95 CO 0.03 0.41 0.53 0.00 0.09 0.00 0.00 178.44 179.50 1xck h ALA 96 N 0.77 1.19 -0.35 1.53 0.00 -0.15 0.43 119.26 122.68 1xck h ALA 96 Ca 0.03 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 1xck h ALA 96 Cb 0.31 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 1xck h ALA 96 CO 0.00 0.26 0.19 0.37 0.00 0.00 0.00 179.25 180.07 1xck h GLN 97 N 0.95 0.49 -0.05 0.00 4.15 -0.98 0.26 115.11 119.93 1xck h GLN 97 Ca 0.38 -0.06 0.01 0.00 0.77 0.00 0.00 58.65 59.75 1xck h GLN 97 Cb 0.20 -0.09 -0.01 0.00 0.21 0.00 0.00 27.48 27.79 1xck h GLN 97 CO -0.18 0.41 -0.01 0.00 -1.93 0.00 0.00 178.83 177.12 1xck h ALA 98 N 1.05 0.04 -0.12 3.38 0.00 -0.48 -0.31 119.26 122.81 1xck h ALA 98 Ca 0.12 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.04 1xck h ALA 98 Cb 0.07 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 1xck h ALA 98 CO -0.02 -0.49 0.05 0.82 0.00 0.00 0.00 179.25 179.61 1xck h ILE 99 N 0.01 1.15 -0.76 0.00 2.04 -0.76 -2.89 117.51 116.29 1xck h ILE 99 Ca 0.02 -0.45 0.00 0.00 1.00 0.00 0.00 64.86 65.44 1xck h ILE 99 Cb 0.03 1.23 -0.04 0.00 -0.74 0.00 0.00 36.82 37.31 1xck h ILE 99 CO -0.05 0.14 0.49 0.40 0.00 0.00 0.00 178.15 179.13 1xck h ILE 100 N 0.03 1.20 0.58 -0.67 2.04 -0.82 0.46 117.51 120.34 1xck h ILE 100 Ca 0.04 -0.39 -0.03 0.00 1.00 0.00 0.00 64.86 65.48 1xck h ILE 100 Cb 0.17 0.10 0.00 0.00 -0.74 0.00 0.00 36.82 36.36 1xck h ILE 100 CO -0.00 0.20 -0.29 0.74 0.00 0.00 0.00 178.15 178.80 1xck h THR 101 N 1.04 0.41 -0.42 -0.27 2.02 -1.00 -0.51 112.91 114.19 1xck h THR 101 Ca 0.28 0.00 -0.13 0.00 0.77 0.00 0.00 66.41 67.33 1xck h THR 101 Cb -0.09 0.41 -0.01 0.00 -1.74 0.00 0.00 68.15 66.72 1xck h THR 101 CO -0.06 0.00 -0.26 -0.33 0.37 0.00 0.00 175.52 175.24 1xck h GLU 102 N -0.79 0.87 -0.55 6.66 4.39 -1.48 -2.51 114.58 121.17 1xck h GLU 102 Ca -0.08 -0.38 0.05 0.00 0.34 0.00 0.00 59.36 59.29 1xck h GLU 102 Cb 0.61 -0.02 -0.05 0.00 -0.10 0.00 0.00 28.75 29.19 1xck h GLU 102 CO 0.12 1.03 0.27 0.78 -1.16 0.00 0.00 179.01 180.05 1xck h GLY 103 N 0.91 0.78 1.31 -3.84 0.00 -0.81 -1.32 103.07 100.09 1xck h GLY 103 Ca 0.09 -0.18 -0.09 0.00 0.00 0.00 0.00 47.33 47.15 1xck h GLY 103 CO 0.07 0.10 -0.09 1.41 0.00 0.00 0.00 176.54 178.02 1xck h LEU 104 N 0.52 0.81 -0.45 3.11 3.38 -0.94 -1.49 115.31 120.24 1xck h LEU 104 Ca 0.25 -0.24 0.04 0.00 0.09 0.00 0.00 57.88 58.02 1xck h LEU 104 Cb 0.18 -0.22 -0.04 0.00 0.09 0.00 0.00 40.66 40.68 1xck h LEU 104 CO -0.19 0.93 0.23 0.11 0.09 0.00 0.00 178.44 179.61 1xck h LYS 105 N 0.74 0.45 -0.75 1.13 1.57 -0.95 0.67 116.57 119.42 1xck h LYS 105 Ca 0.13 -0.03 0.02 0.00 -1.87 0.00 0.00 60.65 58.90 1xck h LYS 105 Cb 0.58 -0.10 -0.04 0.00 0.08 0.00 0.00 32.23 32.75 1xck h LYS 105 CO 0.04 0.29 0.49 0.00 -0.57 0.00 0.00 179.45 179.70 1xck h ALA 106 N 1.24 0.97 -0.77 3.86 0.00 -0.86 -0.69 119.26 123.02 1xck h ALA 106 Ca 0.20 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 55.05 1xck h ALA 106 Cb 0.10 -0.27 -0.04 0.00 0.00 0.00 0.00 17.79 17.58 1xck h ALA 106 CO -0.13 0.31 0.41 0.28 0.00 0.00 0.00 179.25 180.12 1xck h VAL 107 N 0.97 1.23 -0.20 0.00 2.07 -0.22 -1.95 116.25 118.16 1xck h VAL 107 Ca 0.29 -0.60 -0.08 0.00 0.82 0.00 0.00 66.70 67.12 1xck h VAL 107 Cb -0.04 0.22 -0.01 0.00 -1.52 0.00 0.00 31.29 29.94 1xck h VAL 107 CO -0.09 0.26 -0.25 0.00 0.02 0.00 0.00 177.57 177.52 1xck h ALA 108 N 1.21 1.21 0.00 1.67 0.00 -0.30 -1.10 119.26 121.96 1xck h ALA 108 Ca 0.27 -0.32 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1xck h ALA 108 Cb 0.05 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.73 1xck h ALA 108 CO -0.04 0.51 0.00 0.00 0.00 0.00 0.00 179.25 179.72 1xck n ALA 109 N -2.48 1.75 0.00 0.00 0.00 -0.32 -4.85 120.51 114.60 1xck n ALA 109 Ca -0.01 -0.06 0.00 0.00 0.00 0.00 0.00 53.44 53.38 1xck n ALA 109 Cb 0.38 -1.25 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 0.07 0.91 3.82 0.00 0.00 -0.41 -5.09 105.19 104.49 1xck n GLY 110 Ca 0.05 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.74 1xck n GLY 110 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1xck s MET 111 N -0.84 3.85 -0.08 1.61 -1.94 -0.79 -4.98 119.30 116.14 1xck s MET 111 Ca 0.00 1.12 -0.30 0.00 -1.71 0.00 0.00 55.69 54.81 1xck s MET 111 Cb 0.00 -2.12 -0.04 0.00 2.01 0.00 0.00 34.83 34.69 1xck s MET 111 CO 0.00 -0.36 1.36 1.21 -0.01 0.00 0.00 175.02 177.22 1xck s ASN 112 N -2.60 6.89 0.19 3.03 3.84 -1.26 -4.45 114.94 120.58 1xck s ASN 112 Ca 0.62 1.94 -0.12 0.00 0.21 0.00 0.00 52.86 55.51 1xck s ASN 112 Cb -0.12 -2.55 0.20 0.00 -0.55 0.00 0.00 41.25 38.23 1xck s ASN 112 CO 0.26 -0.75 1.73 -0.65 -2.79 0.00 0.00 177.10 174.90 1xck h PRO 113 N 8.19 0.27 -0.65 0.43 0.11 -1.94 -0.66 132.00 137.75 1xck h PRO 113 Ca -0.34 -0.02 -0.02 0.00 0.11 0.00 0.00 66.00 65.74 1xck h PRO 113 Cb 1.15 -0.06 -0.03 0.00 0.11 0.00 0.00 31.00 32.17 1xck h PRO 113 CO 0.93 0.18 0.33 0.52 -0.21 0.00 0.00 178.00 179.75 1xck h MET 114 N 0.28 0.91 -0.23 1.05 2.86 -1.92 -0.72 114.93 117.17 1xck h MET 114 Ca 0.25 -0.11 -0.18 0.00 -2.06 0.00 0.00 59.70 57.60 1xck h MET 114 Cb 0.32 -0.18 0.00 0.00 0.06 0.00 0.00 31.60 31.81 1xck h MET 114 CO -0.30 0.69 -0.57 -0.44 1.06 0.00 0.00 176.91 177.35 1xck h ASP 115 N 0.92 0.90 -0.68 1.22 3.32 -1.75 -1.79 116.42 118.55 1xck h ASP 115 Ca 0.23 -0.57 0.05 0.00 0.02 0.00 0.00 57.03 56.76 1xck h ASP 115 Cb 0.07 -0.26 -0.05 0.00 0.22 0.00 0.00 39.33 39.31 1xck h ASP 115 CO -0.03 1.31 0.40 -0.07 -1.72 0.00 0.00 179.24 179.12 1xck h LEU 116 N 0.54 0.62 -0.20 1.55 3.38 -0.72 -0.34 115.31 120.14 1xck h LEU 116 Ca -0.01 0.02 -0.01 0.00 0.09 0.00 0.00 57.88 57.97 1xck h LEU 116 Cb 1.19 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.82 1xck h LEU 116 CO 0.12 0.42 0.07 0.50 0.09 0.00 0.00 178.44 179.64 1xck h LYS 117 N 0.76 0.31 -0.99 1.13 3.64 -1.08 -1.27 116.57 119.07 1xck h LYS 117 Ca 0.29 -0.06 0.05 0.00 -1.27 0.00 0.00 60.65 59.66 1xck h LYS 117 Cb 0.12 -0.05 -0.06 0.00 -0.41 0.00 0.00 32.23 31.83 1xck h LYS 117 CO -0.15 0.40 0.65 -0.09 -2.27 0.00 0.00 179.45 177.99 1xck h ARG 118 N 0.16 1.18 -0.32 1.90 2.43 -0.71 0.13 114.38 119.16 1xck h ARG 118 Ca 0.07 -0.07 -0.05 0.00 -0.81 0.00 0.00 59.98 59.11 1xck h ARG 118 Cb 0.21 -0.27 -0.01 0.00 -0.42 0.00 0.00 29.97 29.49 1xck h ARG 118 CO -0.00 0.78 -0.01 0.78 -1.51 0.00 0.00 179.97 180.01 1xck h GLY 119 N 1.22 0.61 0.73 2.80 0.00 -0.87 -0.57 103.07 106.99 1xck h GLY 119 Ca 0.41 -0.46 0.05 0.00 0.00 0.00 0.00 47.33 47.33 1xck h GLY 119 CO -0.14 0.42 0.37 -2.22 0.00 0.00 0.00 176.54 174.97 1xck h ILE 120 N 0.36 1.00 -0.50 2.60 2.04 -0.48 -0.85 117.51 121.68 1xck h ILE 120 Ca 0.09 -0.24 -0.05 0.00 1.00 0.00 0.00 64.86 65.65 1xck h ILE 120 Cb 0.46 0.23 -0.02 0.00 -0.74 0.00 0.00 36.82 36.75 1xck h ILE 120 CO 0.02 0.13 0.10 0.44 0.00 0.00 0.00 178.15 178.84 1xck h ASP 121 N 0.70 0.78 -0.25 1.72 3.32 -0.82 -0.82 116.42 121.06 1xck h ASP 121 Ca 0.29 -0.25 0.01 0.00 0.02 0.00 0.00 57.03 57.10 1xck h ASP 121 Cb 0.14 -0.21 -0.02 0.00 0.22 0.00 0.00 39.33 39.47 1xck h ASP 121 CO -0.16 0.83 0.13 0.50 -1.72 0.00 0.00 179.24 178.82 1xck h LYS 122 N 0.70 0.26 -0.55 3.56 3.64 -0.56 0.80 116.57 124.43 1xck h LYS 122 Ca 0.16 -0.02 0.04 0.00 -1.27 0.00 0.00 60.65 59.56 1xck h LYS 122 Cb 0.36 -0.06 -0.05 0.00 -0.41 0.00 0.00 32.23 32.08 1xck h LYS 122 CO 0.01 0.18 0.30 0.00 -2.27 0.00 0.00 179.45 177.66 1xck h ALA 123 N 1.12 0.71 -0.56 5.00 0.00 -0.99 -1.56 119.26 122.99 1xck h ALA 123 Ca 0.10 0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.98 1xck h ALA 123 Cb 0.01 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 1xck h ALA 123 CO -0.06 -0.03 0.19 0.28 0.00 0.00 0.00 179.25 179.63 1xck h VAL 124 N 0.57 1.23 -0.89 0.00 2.07 -0.65 0.16 116.25 118.75 1xck h VAL 124 Ca 0.24 -0.77 0.01 0.00 0.82 0.00 0.00 66.70 67.00 1xck h VAL 124 Cb 0.13 0.68 -0.05 0.00 -1.52 0.00 0.00 31.29 30.53 1xck h VAL 124 CO -0.15 0.29 0.58 0.74 0.02 0.00 0.00 177.57 179.05 1xck h THR 125 N 0.77 1.21 -0.25 2.57 2.02 -0.41 0.94 112.91 119.76 1xck h THR 125 Ca 0.18 -0.41 -0.07 0.00 0.77 0.00 0.00 66.41 66.89 1xck h THR 125 Cb 0.26 -0.08 -0.01 0.00 -1.74 0.00 0.00 68.15 66.59 1xck h THR 125 CO -0.01 0.22 -0.11 0.00 0.37 0.00 0.00 175.52 175.98 1xck h ALA 126 N 1.33 0.35 -1.00 6.16 0.00 -1.03 -2.74 119.26 122.34 1xck h ALA 126 Ca 0.33 -0.30 0.06 0.00 0.00 0.00 0.00 54.91 55.00 1xck h ALA 126 Cb -0.11 -0.09 -0.07 0.00 0.00 0.00 0.00 17.79 17.52 1xck h ALA 126 CO -0.08 0.21 0.65 0.00 0.00 0.00 0.00 179.25 180.03 1xck h ALA 127 N 0.73 1.39 -0.34 0.00 0.00 -0.03 -0.41 119.26 120.60 1xck h ALA 127 Ca 0.06 -0.02 -0.08 0.00 0.00 0.00 0.00 54.91 54.86 1xck h ALA 127 Cb 0.62 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 18.08 1xck h ALA 127 CO 0.04 0.44 -0.13 0.28 0.00 0.00 0.00 179.25 179.88 1xck h VAL 128 N 1.18 1.24 -0.16 0.00 2.07 -0.73 -0.02 116.25 119.83 1xck h VAL 128 Ca 0.43 -1.09 -0.19 0.00 0.82 0.00 0.00 66.70 66.67 1xck h VAL 128 Cb 0.16 1.12 0.00 0.00 -1.52 0.00 0.00 31.29 31.05 1xck h VAL 128 CO -0.17 0.36 -0.68 -0.08 0.02 0.00 0.00 177.57 177.02 1xck h GLU 129 N 0.55 0.65 -0.08 1.57 4.57 -1.00 -2.52 114.58 118.31 1xck h GLU 129 Ca 0.10 -0.48 -0.06 0.00 -1.18 0.00 0.00 59.36 57.73 1xck h GLU 129 Cb 0.54 0.09 -0.01 0.00 -0.16 0.00 0.00 28.75 29.20 1xck h GLU 129 CO 0.03 1.10 -0.23 1.49 -1.18 0.00 0.00 179.01 180.23 1xck h GLU 130 N 0.47 0.14 -0.40 1.92 4.57 -0.73 -2.16 114.58 118.38 1xck h GLU 130 Ca -0.02 -0.04 -0.12 0.00 -1.18 0.00 0.00 59.36 58.00 1xck h GLU 130 Cb 1.27 -0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 29.83 1xck h GLU 130 CO 0.13 0.37 -0.22 1.25 -1.18 0.00 0.00 179.01 179.37 1xck h LEU 131 N 0.13 0.81 -0.55 1.64 5.85 -0.73 -0.89 115.31 121.58 1xck h LEU 131 Ca 0.02 -0.29 -0.09 0.00 0.84 0.00 0.00 57.88 58.36 1xck h LEU 131 Cb 0.49 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 41.28 1xck h LEU 131 CO 0.03 1.01 -0.01 0.11 -0.34 0.00 0.00 178.44 179.23 1xck h LYS 132 N 0.70 0.98 -0.20 1.25 1.57 -0.98 -0.60 116.57 119.28 1xck h LYS 132 Ca 0.10 -0.32 -0.08 0.00 -1.87 0.00 0.00 60.65 58.47 1xck h LYS 132 Cb 0.74 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.95 1xck h LYS 132 CO 0.06 0.99 -0.24 0.00 -0.57 0.00 0.00 179.45 179.68 1xck h ALA 133 N 0.95 1.21 -0.04 3.86 0.00 -1.20 -2.62 119.26 121.43 1xck h ALA 133 Ca 0.15 -0.32 -0.16 0.00 0.00 0.00 0.00 54.91 54.58 1xck h ALA 133 Cb 0.56 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 1xck h ALA 133 CO 0.03 0.51 -0.71 1.25 0.00 0.00 0.00 179.25 180.34 1xck h LEU 134 N 0.34 0.24 -9.58 0.00 6.46 -0.84 -3.46 115.31 108.46 1xck h LEU 134 Ca 0.05 -0.16 -0.58 0.00 -0.12 0.00 0.00 57.88 57.07 1xck h LEU 134 Cb 0.61 -0.07 0.08 0.00 -0.73 0.00 0.00 40.66 40.55 1xck h LEU 134 CO 0.04 0.87 0.67 -0.24 -0.62 0.00 0.00 178.44 179.17 1xck n SER 135 N -3.78 2.91 -4.67 1.25 2.88 -0.26 -4.89 113.62 107.05 1xck n SER 135 Ca -0.03 1.13 -0.35 0.00 -1.33 0.00 0.00 58.87 58.30 1xck n SER 135 Cb 0.69 -1.44 -0.09 0.00 -0.75 0.00 0.00 64.21 62.62 1xck n SER 135 CO 0.00 0.00 0.00 -0.69 -1.23 0.00 0.00 175.04 173.12 1xck s VAL 136 N 0.16 4.89 0.45 2.46 1.01 0.44 -4.90 120.40 124.91 1xck s VAL 136 Ca 0.70 -0.00 -0.24 0.00 0.00 0.00 0.00 61.98 62.44 1xck s VAL 136 Cb -0.64 -3.19 -0.07 0.00 0.00 0.00 0.00 36.38 32.47 1xck s VAL 136 CO 0.47 0.49 1.20 -2.84 0.00 0.00 0.00 175.10 174.41 1xck s PRO 137 N 0.14 3.78 -0.47 2.72 0.02 -1.26 -0.66 135.00 139.26 1xck s PRO 137 Ca 0.05 1.86 0.03 0.00 0.02 0.00 0.00 61.00 62.96 1xck s PRO 137 Cb -0.12 -2.48 0.14 0.00 0.02 0.00 0.00 34.50 32.06 1xck s PRO 137 CO 0.00 -0.56 0.26 0.00 -0.33 0.00 0.00 177.00 176.38 1xck n SER 139 N 3.33 1.11 -4.77 0.00 7.64 -1.26 -4.25 113.62 115.42 1xck n SER 139 Ca 0.09 0.00 -0.35 0.00 1.01 0.00 0.00 58.87 59.62 1xck n SER 139 Cb 0.34 0.00 0.01 0.00 -1.01 0.00 0.00 64.21 63.56 1xck n SER 139 CO 0.00 0.00 0.00 1.51 -3.01 0.00 0.00 175.04 173.54 1xck s ASP 140 N -4.65 5.52 0.00 6.43 -4.77 -1.26 -4.84 116.67 113.10 1xck s ASP 140 Ca 0.00 2.23 0.11 0.00 -3.30 0.00 0.00 52.55 51.58 1xck s ASP 140 Cb 0.00 -2.58 0.58 0.00 -1.09 0.00 0.00 42.92 39.82 1xck s ASP 140 CO 0.00 -1.36 1.20 -1.54 0.70 0.00 0.00 175.17 174.17 1xck n SER 141 N -1.46 0.00 0.06 2.11 3.41 -1.26 -1.76 113.62 114.72 1xck n SER 141 Ca 0.12 -0.01 -0.21 0.00 -0.26 0.00 0.00 58.87 58.51 1xck n SER 141 Cb 0.51 -0.20 -0.12 0.00 -0.26 0.00 0.00 64.21 64.13 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 0.61 -0.21 4.33 3.64 -2.00 -2.72 116.57 120.22 1xck h LYS 142 Ca 0.00 -0.75 -0.15 0.00 -1.27 0.00 0.00 60.65 58.48 1xck h LYS 142 Cb 0.07 0.24 0.00 0.00 -0.41 0.00 0.00 32.23 32.13 1xck h LYS 142 CO 0.00 1.33 -0.45 0.00 -2.27 0.00 0.00 179.45 178.06 1xck h ALA 143 N 0.31 0.34 -0.63 5.00 0.00 -1.71 -2.61 119.26 119.96 1xck h ALA 143 Ca -0.16 -0.47 0.10 0.00 0.00 0.00 0.00 54.91 54.38 1xck h ALA 143 Cb 1.76 -0.05 -0.08 0.00 0.00 0.00 0.00 17.79 19.42 1xck h ALA 143 CO 0.21 0.48 0.24 0.82 0.00 0.00 0.00 179.25 180.99 1xck h ILE 144 N 0.38 0.75 -0.51 0.00 2.04 -1.50 0.42 117.51 119.08 1xck h ILE 144 Ca 0.00 -0.14 -0.07 0.00 1.00 0.00 0.00 64.86 65.65 1xck h ILE 144 Cb 1.05 0.30 -0.02 0.00 -0.74 0.00 0.00 36.82 37.41 1xck h ILE 144 CO 0.10 0.08 0.02 0.00 0.00 0.00 0.00 178.15 178.34 1xck h ALA 145 N 1.44 1.07 -0.21 1.87 0.00 -1.44 -1.63 119.26 120.36 1xck h ALA 145 Ca 0.32 -0.26 -0.03 0.00 0.00 0.00 0.00 54.91 54.94 1xck h ALA 145 Cb 0.42 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 1xck h ALA 145 CO -0.32 0.59 0.02 1.96 0.00 0.00 0.00 179.25 181.50 1xck h GLN 146 N 0.79 0.36 -0.62 0.00 4.20 -0.72 -0.22 115.11 118.91 1xck h GLN 146 Ca 0.15 -0.10 -0.05 0.00 0.06 0.00 0.00 58.65 58.71 1xck h GLN 146 Cb 0.45 -0.04 -0.03 0.00 0.30 0.00 0.00 27.48 28.16 1xck h GLN 146 CO 0.02 0.52 0.19 0.28 -0.67 0.00 0.00 178.83 179.17 1xck h VAL 147 N 0.15 1.24 -0.23 -0.54 2.07 -0.92 -1.56 116.25 116.47 1xck h VAL 147 Ca 0.06 -0.81 -0.11 0.00 0.82 0.00 0.00 66.70 66.66 1xck h VAL 147 Cb 0.34 0.56 -0.01 0.00 -1.52 0.00 0.00 31.29 30.66 1xck h VAL 147 CO 0.01 0.31 -0.34 1.23 0.02 0.00 0.00 177.57 178.80 1xck h GLY 148 N 1.02 0.52 0.94 2.17 0.00 -1.06 -1.08 103.07 105.60 1xck h GLY 148 Ca 0.20 -0.48 -0.07 0.00 0.00 0.00 0.00 47.33 46.99 1xck h GLY 148 CO -0.01 0.43 -0.04 -0.84 0.00 0.00 0.00 176.54 176.08 1xck h THR 149 N 0.41 1.27 -0.45 4.70 2.02 -0.56 -1.47 112.91 118.83 1xck h THR 149 Ca 0.05 -1.08 -0.05 0.00 0.77 0.00 0.00 66.41 66.10 1xck h THR 149 Cb 0.79 1.21 -0.02 0.00 -1.74 0.00 0.00 68.15 68.40 1xck h THR 149 CO 0.06 0.36 0.09 0.40 0.37 0.00 0.00 175.52 176.80 1xck h ILE 150 N 0.50 1.24 0.00 3.11 2.04 -1.18 0.32 117.51 123.55 1xck h ILE 150 Ca 0.10 -0.87 0.00 0.00 1.00 0.00 0.00 64.86 65.09 1xck h ILE 150 Cb 0.53 0.94 0.00 0.00 -0.74 0.00 0.00 36.82 37.56 1xck h ILE 150 CO 0.03 0.31 0.00 0.28 0.00 0.00 0.00 178.15 178.76 1xck h SER 151 N 0.60 0.00 -0.59 1.72 0.02 -1.10 -2.37 113.55 111.83 1xck h SER 151 Ca 0.14 0.00 -0.17 0.00 -0.84 0.00 0.00 61.79 60.92 1xck h SER 151 Cb 0.36 0.00 -0.10 0.00 0.14 0.00 0.00 62.40 62.80 1xck h SER 151 CO 0.01 0.00 0.17 0.00 -1.14 0.00 0.00 176.83 175.87 1xck n ALA 152 N -1.92 4.23 -3.22 3.77 0.00 -0.56 -4.31 120.51 118.50 1xck n ALA 152 Ca 0.01 -2.47 -0.15 0.00 0.00 0.00 0.00 53.44 50.83 1xck n ALA 152 Cb 0.23 -1.06 0.07 0.00 0.00 0.00 0.00 19.45 18.68 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 -0.39 -2.74 -1.31 0.00 5.15 -0.89 -3.16 115.26 111.92 1xck n ASN 153 Ca 0.36 -0.50 -0.14 0.00 -0.60 0.00 0.00 54.58 53.70 1xck n ASN 153 Cb 1.24 -4.30 -0.03 0.00 -0.53 0.00 0.00 39.78 36.16 1xck n ASN 153 CO 0.00 0.00 0.00 -1.20 1.40 0.00 0.00 177.26 177.46 1xck n SER 154 N -2.65 -4.48 -4.41 1.20 7.64 0.11 -4.97 113.62 106.06 1xck n SER 154 Ca -0.19 0.17 -0.44 0.00 1.01 0.00 0.00 58.87 59.42 1xck n SER 154 Cb 0.62 -3.42 -0.03 0.00 -1.01 0.00 0.00 64.21 60.37 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 -2.62 6.37 0.42 6.43 -1.08 -1.07 -4.89 116.67 120.23 1xck s ASP 155 Ca 0.00 -1.63 0.17 0.00 -0.52 0.00 0.00 52.55 50.57 1xck s ASP 155 Cb 0.00 -2.35 1.08 0.00 -1.46 0.00 0.00 42.92 40.18 1xck s ASP 155 CO 0.00 -1.13 1.86 -0.33 0.52 0.00 0.00 175.17 176.08 1xck h GLU 156 N 9.04 0.40 -0.27 4.34 5.08 -1.92 -1.80 114.58 129.44 1xck h GLU 156 Ca -0.11 -0.02 0.06 0.00 -1.00 0.00 0.00 59.36 58.28 1xck h GLU 156 Cb 1.06 -0.09 -0.06 0.00 0.50 0.00 0.00 28.75 30.16 1xck h GLU 156 CO 1.09 0.27 -0.14 1.15 -1.00 0.00 0.00 179.01 180.38 1xck h THR 157 N 0.41 0.58 -0.58 1.13 2.02 -1.97 0.02 112.91 114.53 1xck h THR 157 Ca 0.47 0.00 0.01 0.00 0.77 0.00 0.00 66.41 67.66 1xck h THR 157 Cb 1.15 0.58 -0.03 0.00 -1.74 0.00 0.00 68.15 68.11 1xck h THR 157 CO -0.18 0.00 0.38 0.58 0.37 0.00 0.00 175.52 176.67 1xck h VAL 158 N -0.10 1.13 -0.40 3.16 2.07 -1.67 0.37 116.25 120.82 1xck h VAL 158 Ca 0.14 -0.26 0.03 0.00 0.82 0.00 0.00 66.70 67.43 1xck h VAL 158 Cb 0.32 0.30 -0.03 0.00 -1.52 0.00 0.00 31.29 30.36 1xck h VAL 158 CO -0.34 0.14 0.21 1.23 0.02 0.00 0.00 177.57 178.83 1xck h GLY 159 N 0.77 0.55 0.93 2.17 0.00 -1.30 -0.40 103.07 105.78 1xck h GLY 159 Ca 0.21 -0.15 0.01 0.00 0.00 0.00 0.00 47.33 47.41 1xck h GLY 159 CO -0.05 0.11 0.21 1.70 0.00 0.00 0.00 176.54 178.51 1xck h LYS 160 N 0.42 0.42 -0.07 4.80 3.64 -0.56 -0.77 116.57 124.46 1xck h LYS 160 Ca 0.17 -0.03 0.03 0.00 -1.27 0.00 0.00 60.65 59.55 1xck h LYS 160 Cb 0.06 -0.10 -0.03 0.00 -0.41 0.00 0.00 32.23 31.75 1xck h LYS 160 CO -0.11 0.28 -0.10 -0.07 -2.27 0.00 0.00 179.45 177.18 1xck h LEU 161 N 0.43 -0.30 -0.65 5.20 3.38 -0.42 -0.95 115.31 122.00 1xck h LEU 161 Ca 0.14 0.06 -0.05 0.00 0.09 0.00 0.00 57.88 58.12 1xck h LEU 161 Cb -0.01 0.14 -0.03 0.00 0.09 0.00 0.00 40.66 40.86 1xck h LEU 161 CO -0.06 -0.14 0.23 0.40 0.09 0.00 0.00 178.44 178.96 1xck h ILE 162 N -0.14 1.24 -0.49 1.22 2.04 -0.88 -1.40 117.51 119.11 1xck h ILE 162 Ca 0.06 -0.81 -0.00 0.00 1.00 0.00 0.00 64.86 65.11 1xck h ILE 162 Cb 0.23 0.55 -0.02 0.00 -0.74 0.00 0.00 36.82 36.83 1xck h ILE 162 CO -0.15 0.31 0.29 0.00 0.00 0.00 0.00 178.15 178.60 1xck h ALA 163 N 1.09 0.62 -0.36 1.87 0.00 -0.89 0.14 119.26 121.74 1xck h ALA 163 Ca 0.21 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.06 1xck h ALA 163 Cb 0.26 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 1xck h ALA 163 CO -0.01 0.11 0.23 0.93 0.00 0.00 0.00 179.25 180.51 1xck h GLU 164 N 0.65 0.47 -0.06 0.00 5.08 -0.94 -0.66 114.58 119.12 1xck h GLU 164 Ca 0.18 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.51 1xck h GLU 164 Cb -0.01 -0.11 -0.00 0.00 0.50 0.00 0.00 28.75 29.14 1xck h GLU 164 CO -0.03 0.32 0.04 0.00 -1.00 0.00 0.00 179.01 178.33 1xck h ALA 165 N 1.13 0.08 -0.04 3.43 0.00 -0.87 -1.61 119.26 121.38 1xck h ALA 165 Ca 0.13 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.00 1xck h ALA 165 Cb -0.05 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 1xck h ALA 165 CO -0.03 -0.41 -0.08 0.52 0.00 0.00 0.00 179.25 179.25 1xck h MET 166 N 0.07 0.06 -0.43 0.00 2.86 -0.77 -1.65 114.93 115.07 1xck h MET 166 Ca 0.02 -0.01 -0.13 0.00 -2.06 0.00 0.00 59.70 57.52 1xck h MET 166 Cb 0.01 -0.01 -0.01 0.00 0.06 0.00 0.00 31.60 31.65 1xck h MET 166 CO -0.00 0.15 -0.25 0.22 1.06 0.00 0.00 176.91 178.08 1xck h ASP 167 N 0.06 0.93 0.56 1.22 3.58 -0.59 0.37 116.42 122.56 1xck h ASP 167 Ca 0.01 -0.36 -0.03 0.00 0.42 0.00 0.00 57.03 57.08 1xck h ASP 167 Cb 0.18 -0.26 0.01 0.00 1.72 0.00 0.00 39.33 40.98 1xck h ASP 167 CO 0.01 1.13 -0.27 0.11 -2.88 0.00 0.00 179.24 177.34 1xck h LYS 168 N 0.77 -0.73 -0.01 0.28 1.79 -0.39 -3.33 116.57 114.95 1xck h LYS 168 Ca 0.10 0.05 0.00 0.00 -2.18 0.00 0.00 60.65 58.62 1xck h LYS 168 Cb 0.81 0.17 0.00 0.00 -1.58 0.00 0.00 32.23 31.62 1xck h LYS 168 CO 0.07 -0.48 -0.08 1.33 -1.08 0.00 0.00 179.45 179.21 1xck n VAL 169 N -4.41 0.00 0.00 0.50 0.24 -0.86 -5.06 118.33 108.74 1xck n VAL 169 Ca -0.09 -0.20 0.00 0.00 -2.04 0.00 0.00 64.34 62.00 1xck n VAL 169 Cb 0.30 0.43 0.00 0.00 -1.47 0.00 0.00 33.84 33.10 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 1.22 -1.09 0.28 7.63 0.00 0.13 -3.01 105.19 110.36 1xck n GLY 170 Ca 0.17 -1.60 0.08 0.00 0.00 0.00 0.00 46.02 44.67 1xck n GLY 170 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1xck h LYS 171 N 0.00 0.17 0.00 1.61 1.57 -1.94 -1.21 116.57 116.76 1xck h LYS 171 Ca 0.00 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 1xck h LYS 171 Cb 0.00 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.27 1xck h LYS 171 CO 0.00 0.11 -0.55 0.93 -0.57 0.00 0.00 179.45 179.37 1xck h GLU 172 N 0.17 0.00 -6.63 3.15 4.39 -1.92 -3.48 114.58 110.26 1xck h GLU 172 Ca 0.07 0.00 -0.52 0.00 0.34 0.00 0.00 59.36 59.25 1xck h GLU 172 Cb 0.06 0.00 0.22 0.00 -0.10 0.00 0.00 28.75 28.94 1xck h GLU 172 CO -0.01 0.00 -0.94 0.41 -1.16 0.00 0.00 179.01 177.31 1xck n GLY 173 N 1.25 -2.50 3.67 -3.84 0.00 -0.46 -4.96 105.19 98.35 1xck n GLY 173 Ca 0.03 -0.74 -0.38 0.00 0.00 0.00 0.00 46.02 44.93 1xck n GLY 173 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1xck s VAL 174 N -2.30 5.22 -0.12 1.61 1.01 -1.26 -4.96 120.40 119.60 1xck s VAL 174 Ca 0.54 0.64 0.02 0.00 0.00 0.00 0.00 61.98 63.17 1xck s VAL 174 Cb -0.17 -3.70 0.01 0.00 0.00 0.00 0.00 36.38 32.52 1xck s VAL 174 CO 0.69 0.27 -0.18 -0.63 0.00 0.00 0.00 175.10 175.25 1xck s ILE 175 N 1.24 1.73 0.16 2.22 1.01 -1.26 -0.37 121.20 125.93 1xck s ILE 175 Ca 0.18 -0.78 0.08 0.00 0.00 0.00 0.00 60.65 60.13 1xck s ILE 175 Cb -0.14 -1.56 -0.04 0.00 0.01 0.00 0.00 42.46 40.72 1xck s ILE 175 CO 0.07 0.49 -0.07 -0.89 0.00 0.00 0.00 174.94 174.54 1xck s THR 176 N 0.95 3.35 -0.03 2.92 2.01 0.69 -4.95 115.64 120.59 1xck s THR 176 Ca -0.06 -1.52 0.01 0.00 0.31 0.00 0.00 61.69 60.43 1xck s THR 176 Cb -0.15 -2.65 0.02 0.00 0.01 0.00 0.00 72.50 69.73 1xck s THR 176 CO -0.02 -0.06 -0.03 0.54 -0.69 0.00 0.00 174.62 174.35 1xck s VAL 177 N -1.61 0.40 0.21 3.82 0.11 -1.26 -0.38 120.40 121.68 1xck s VAL 177 Ca 0.25 -0.08 -0.02 0.00 -2.93 0.00 0.00 61.98 59.20 1xck s VAL 177 Cb -0.09 -0.43 -0.04 0.00 -1.53 0.00 0.00 36.38 34.29 1xck s VAL 177 CO 0.16 0.18 0.17 -1.83 -3.33 0.00 0.00 175.10 170.45 1xck s GLU 178 N 0.72 1.26 0.47 1.54 -1.05 -0.05 -4.95 118.70 116.63 1xck s GLU 178 Ca -0.09 -1.60 -0.23 0.00 -0.15 0.00 0.00 54.97 52.91 1xck s GLU 178 Cb -0.12 0.29 -0.09 0.00 -0.44 0.00 0.00 34.13 33.77 1xck s GLU 178 CO -0.00 -0.43 0.98 -0.25 0.95 0.00 0.00 175.26 176.51 1xck n ASP 179 N -0.33 1.06 -4.93 0.83 8.00 -1.26 -2.12 116.55 117.80 1xck n ASP 179 Ca 0.02 0.97 -0.25 0.00 0.71 0.00 0.00 54.79 56.24 1xck n ASP 179 Cb 0.65 -1.35 0.02 0.00 -0.02 0.00 0.00 41.12 40.42 1xck n ASP 179 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 1xck s GLY 180 N -0.86 1.58 0.00 0.44 0.00 -0.55 -4.44 107.32 103.49 1xck s GLY 180 Ca 0.66 -0.84 0.19 0.00 0.00 0.00 0.00 44.72 44.73 1xck s GLY 180 CO 0.55 -0.62 1.47 -1.30 0.00 0.00 0.00 173.10 173.21 1xck n THR 181 N -2.33 0.31 0.00 0.90 -2.24 -1.26 -4.91 114.28 104.75 1xck n THR 181 Ca 0.03 -0.43 0.00 0.00 -2.27 0.00 0.00 64.05 61.38 1xck n THR 181 Cb 0.57 0.41 0.00 0.00 -2.10 0.00 0.00 70.33 69.22 1xck n THR 181 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1xck n GLY 182 N 1.17 4.00 1.16 3.38 0.00 -1.26 -5.04 105.19 108.60 1xck n GLY 182 Ca 0.16 -0.81 0.00 0.00 0.00 0.00 0.00 46.02 45.37 1xck n GLY 182 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1xck n LEU 183 N 0.00 0.00 0.00 0.99 -0.00 -1.26 -4.58 117.00 112.15 1xck n LEU 183 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.01 1xck n LEU 183 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.42 1xck n LEU 183 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 177.39 177.39 1xck n GLN 184 N -0.21 0.00 -1.96 1.96 6.02 -1.26 -4.70 117.38 117.23 1xck n GLN 184 Ca 0.00 0.00 -0.32 0.00 -0.01 0.00 0.00 57.00 56.67 1xck n GLN 184 Cb 0.00 0.00 0.01 0.00 1.02 0.00 0.00 30.24 31.27 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 6.06 0.01 1.08 1.01 -1.26 -3.56 116.67 120.00 1xck s ASP 185 Ca 0.00 1.57 0.00 0.00 0.71 0.00 0.00 52.55 54.83 1xck s ASP 185 Cb 0.00 -2.50 -0.01 0.00 1.01 0.00 0.00 42.92 41.43 1xck s ASP 185 CO 0.00 -0.98 -0.02 -1.61 0.21 0.00 0.00 175.17 172.76 1xck s GLU 186 N -4.68 0.20 -0.09 8.23 2.02 -0.77 -4.92 118.70 118.69 1xck s GLU 186 Ca 0.58 -0.28 -0.01 0.00 0.02 0.00 0.00 54.97 55.29 1xck s GLU 186 Cb -0.12 -0.05 0.03 0.00 0.10 0.00 0.00 34.13 34.08 1xck s GLU 186 CO 0.46 0.01 -0.05 -1.17 0.02 0.00 0.00 175.26 174.53 1xck s LEU 187 N -0.59 0.96 0.01 1.80 2.96 -1.26 -1.04 118.68 121.52 1xck s LEU 187 Ca -0.05 -0.21 -0.02 0.00 -0.22 0.00 0.00 54.13 53.63 1xck s LEU 187 Cb -0.04 -0.67 -0.01 0.00 0.50 0.00 0.00 46.19 45.97 1xck s LEU 187 CO -0.00 -0.14 0.02 -1.81 -1.32 0.00 0.00 176.35 173.10 1xck s ASP 188 N 1.76 0.15 -0.18 3.68 1.01 -0.92 -4.97 116.67 117.20 1xck s ASP 188 Ca 0.04 -0.35 -0.05 0.00 0.71 0.00 0.00 52.55 52.89 1xck s ASP 188 Cb -0.13 0.13 -0.03 0.00 1.01 0.00 0.00 42.92 43.90 1xck s ASP 188 CO -0.06 -0.28 0.01 -0.69 0.21 0.00 0.00 175.17 174.36 1xck s VAL 189 N -1.25 4.22 0.29 -1.27 1.01 -1.26 0.28 120.40 122.43 1xck s VAL 189 Ca -0.14 -0.23 0.06 0.00 0.00 0.00 0.00 61.98 61.67 1xck s VAL 189 Cb -0.08 -2.89 -0.06 0.00 0.00 0.00 0.00 36.38 33.35 1xck s VAL 189 CO -0.00 0.45 -0.03 0.68 0.00 0.00 0.00 175.10 176.21 1xck s VAL 190 N 0.62 1.54 -0.07 2.92 -7.23 -0.27 -4.90 120.40 113.00 1xck s VAL 190 Ca 0.00 -2.09 -0.29 0.00 -1.81 0.00 0.00 61.98 57.79 1xck s VAL 190 Cb -0.14 -2.55 -0.07 0.00 0.56 0.00 0.00 36.38 34.19 1xck s VAL 190 CO 0.02 -0.22 1.90 -1.61 -0.31 0.00 0.00 175.10 174.88 1xck s GLU 191 N -3.77 3.91 0.33 4.82 0.41 -1.26 -0.74 118.70 122.40 1xck s GLU 191 Ca 0.31 2.28 -0.12 0.00 -0.41 0.00 0.00 54.97 57.04 1xck s GLU 191 Cb 0.05 -4.15 0.05 0.00 -1.78 0.00 0.00 34.13 28.30 1xck s GLU 191 CO 0.13 -1.20 0.65 0.41 -0.49 0.00 0.00 175.26 174.75 1xck n GLY 192 N 4.71 1.24 3.60 -1.39 0.00 -1.26 -0.88 105.19 111.20 1xck n GLY 192 Ca 0.21 -1.25 -0.06 0.00 0.00 0.00 0.00 46.02 44.92 1xck n GLY 192 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1xck s MET 193 N -2.13 0.88 -0.14 1.61 1.75 -0.75 -3.97 119.30 116.54 1xck s MET 193 Ca 0.15 -0.40 -0.09 0.00 -1.25 0.00 0.00 55.69 54.10 1xck s MET 193 Cb -0.04 0.36 0.05 0.00 2.84 0.00 0.00 34.83 38.04 1xck s MET 193 CO 0.11 -0.39 0.36 -1.14 -0.65 0.00 0.00 175.02 173.30 1xck s GLN 194 N -3.08 0.36 0.24 4.11 0.74 -1.26 -0.53 119.66 120.23 1xck s GLN 194 Ca 0.08 0.64 0.06 0.00 0.05 0.00 0.00 55.36 56.19 1xck s GLN 194 Cb -0.01 0.02 -0.05 0.00 1.10 0.00 0.00 33.01 34.07 1xck s GLN 194 CO -0.05 -0.13 -0.06 -0.59 -0.55 0.00 0.00 175.29 173.91 1xck s PHE 195 N 1.00 1.74 -1.42 1.67 -0.71 -0.26 -5.00 117.98 115.01 1xck s PHE 195 Ca -0.07 -0.74 -0.11 0.00 -1.04 0.00 0.00 56.93 54.97 1xck s PHE 195 Cb -0.07 -0.95 0.07 0.00 -1.21 0.00 0.00 43.02 40.85 1xck s PHE 195 CO -0.08 0.19 2.22 -0.25 -1.34 0.00 0.00 175.22 175.97 1xck n ASP 196 N -0.47 5.12 -3.72 1.98 8.00 -1.26 -1.73 116.55 124.47 1xck n ASP 196 Ca -0.06 -2.91 -0.12 0.00 0.71 0.00 0.00 54.79 52.40 1xck n ASP 196 Cb 0.63 -1.57 -0.13 0.00 -0.02 0.00 0.00 41.12 40.03 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 1.91 0.21 0.18 -1.24 1.81 -1.19 -4.85 118.95 115.79 1xck s ARG 197 Ca 0.48 0.56 0.02 0.00 -1.72 0.00 0.00 55.73 55.07 1xck s ARG 197 Cb 0.13 -0.11 0.02 0.00 -0.45 0.00 0.00 34.95 34.55 1xck s ARG 197 CO -0.06 -0.17 0.20 0.41 -0.68 0.00 0.00 175.30 175.00 1xck n GLY 198 N 4.30 2.43 3.77 -3.53 0.00 -1.26 -1.12 105.19 109.78 1xck n GLY 198 Ca -0.24 -2.19 -0.41 0.00 0.00 0.00 0.00 46.02 43.18 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 -0.51 2.63 -2.00 1.61 -0.85 -0.67 -4.44 117.35 113.11 1xck s TYR 199 Ca 0.15 1.07 0.06 0.00 -0.52 0.00 0.00 57.07 57.84 1xck s TYR 199 Cb -0.01 -4.03 0.38 0.00 0.38 0.00 0.00 41.96 38.67 1xck s TYR 199 CO 0.10 -3.13 1.03 1.28 -1.52 0.00 0.00 175.55 173.30 1xck n LEU 200 N 0.88 0.00 0.00 -3.49 4.77 -0.11 -4.73 117.00 114.32 1xck n LEU 200 Ca 0.03 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.01 1xck n LEU 200 Cb 0.39 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.48 1xck n LEU 200 CO 0.64 0.00 0.00 -0.24 -1.33 0.00 0.00 177.39 176.46 1xck n SER 201 N -0.63 0.00 -2.96 -1.43 2.88 -1.26 -5.09 113.62 105.13 1xck n SER 201 Ca 0.05 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.59 1xck n SER 201 Cb 0.02 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.48 1xck n SER 201 CO 0.00 0.00 0.00 -2.65 -1.23 0.00 0.00 175.04 171.16 1xck n PRO 202 N -0.12 2.44 0.00 -1.46 -0.02 -1.26 -3.57 135.00 131.01 1xck n PRO 202 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.48 1xck n PRO 202 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.48 1xck n PRO 202 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 1xck n TYR 203 N 0.00 0.00 0.31 6.00 4.01 -1.26 -4.18 117.16 122.04 1xck n TYR 203 Ca 0.00 0.00 0.19 0.00 -0.16 0.00 0.00 57.90 57.93 1xck n TYR 203 Cb 0.00 0.00 1.03 0.00 -0.31 0.00 0.00 39.34 40.06 1xck n TYR 203 CO 0.00 0.00 0.00 0.74 -0.46 0.00 0.00 176.86 177.14 1xck h PHE 204 N 0.00 0.00 -2.34 -0.72 0.04 -1.90 -3.42 116.94 108.60 1xck h PHE 204 Ca 0.00 0.00 -0.57 0.00 2.80 0.00 0.00 57.97 60.20 1xck h PHE 204 Cb 0.00 0.00 0.05 0.00 2.20 0.00 0.00 35.95 38.20 1xck h PHE 204 CO 0.00 0.02 0.96 -0.89 -0.60 0.00 0.00 178.31 177.80 1xck n ILE 205 N -3.35 0.20 -0.98 -0.55 5.41 -1.26 -4.67 119.36 114.16 1xck n ILE 205 Ca -0.02 -0.04 0.04 0.00 1.00 0.00 0.00 62.75 63.73 1xck n ILE 205 Cb 0.12 -1.81 0.06 0.00 -0.71 0.00 0.00 39.64 37.30 1xck n ILE 205 CO 0.00 0.00 0.00 -0.46 0.00 0.00 0.00 176.55 176.09 1xck n ASN 206 N 4.63 1.47 -3.16 4.38 0.23 -0.89 -4.76 115.26 117.16 1xck n ASN 206 Ca 0.18 -2.31 -0.18 0.00 -0.53 0.00 0.00 54.58 51.74 1xck n ASN 206 Cb 0.32 -0.22 -0.02 0.00 -2.08 0.00 0.00 39.78 37.78 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 -0.71 0.96 -0.38 -3.83 4.76 -0.82 -4.90 118.16 113.23 1xck n LYS 207 Ca 0.07 -3.26 0.33 0.00 -2.87 0.00 0.00 58.31 52.58 1xck n LYS 207 Cb 0.54 -1.63 0.57 0.00 -1.84 0.00 0.00 35.03 32.67 1xck n LYS 207 CO 0.00 0.00 0.00 -0.35 -1.37 0.00 0.00 177.40 175.68 1xck n PRO 208 N 0.36 -0.04 -0.01 1.97 -0.04 -1.26 -0.31 135.00 135.67 1xck n PRO 208 Ca 0.23 1.14 -0.08 0.00 -0.04 0.00 0.00 63.50 64.75 1xck n PRO 208 Cb 0.65 -2.18 -0.05 0.00 -0.04 0.00 0.00 33.50 31.89 1xck n PRO 208 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 1xck h GLU 209 N 0.00 -0.27 -0.01 0.54 3.07 -1.95 -1.91 114.58 114.05 1xck h GLU 209 Ca 0.77 0.02 0.00 0.00 -0.50 0.00 0.00 59.36 59.65 1xck h GLU 209 Cb 2.35 0.06 0.00 0.00 -0.84 0.00 0.00 28.75 30.32 1xck h GLU 209 CO -0.49 -0.18 -0.04 0.25 -1.40 0.00 0.00 179.01 177.16 1xck n THR 210 N -4.00 0.00 -3.56 1.13 -2.24 -0.22 -4.93 114.28 100.46 1xck n THR 210 Ca -0.03 -0.17 -0.25 0.00 -2.27 0.00 0.00 64.05 61.33 1xck n THR 210 Cb 0.19 0.24 0.05 0.00 -2.10 0.00 0.00 70.33 68.71 1xck n THR 210 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1xck n GLY 211 N 1.17 -0.53 3.45 3.38 0.00 0.57 -4.99 105.19 108.24 1xck n GLY 211 Ca 0.19 0.21 -0.22 0.00 0.00 0.00 0.00 46.02 46.20 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 -3.27 2.43 -0.13 4.61 0.00 -1.17 -4.63 121.76 119.58 1xck s ALA 212 Ca 0.55 -1.95 -0.06 0.00 0.00 0.00 0.00 51.96 50.49 1xck s ALA 212 Cb -0.25 0.23 -0.04 0.00 0.00 0.00 0.00 23.12 23.06 1xck s ALA 212 CO 0.68 -0.09 0.09 0.08 0.00 0.00 0.00 175.76 176.52 1xck s VAL 213 N -3.01 5.08 -0.24 0.00 1.01 -0.44 -1.95 120.40 120.85 1xck s VAL 213 Ca 0.31 0.05 -0.04 0.00 0.00 0.00 0.00 61.98 62.30 1xck s VAL 213 Cb 0.05 -3.23 0.08 0.00 0.00 0.00 0.00 36.38 33.28 1xck s VAL 213 CO 0.13 0.56 0.11 -0.70 0.00 0.00 0.00 175.10 175.20 1xck s GLU 214 N -0.55 0.18 -0.04 2.72 2.12 -1.26 -1.08 118.70 120.78 1xck s GLU 214 Ca 0.11 -0.37 -0.02 0.00 0.36 0.00 0.00 54.97 55.06 1xck s GLU 214 Cb -0.12 -1.50 -0.04 0.00 0.26 0.00 0.00 34.13 32.73 1xck s GLU 214 CO 0.02 -0.86 0.07 -0.51 -0.54 0.00 0.00 175.26 173.44 1xck s LEU 215 N 2.08 3.89 -0.10 2.70 1.43 -0.89 -4.99 118.68 122.80 1xck s LEU 215 Ca 0.06 0.19 0.01 0.00 -1.03 0.00 0.00 54.13 53.36 1xck s LEU 215 Cb -0.16 -2.12 -0.02 0.00 0.03 0.00 0.00 46.19 43.92 1xck s LEU 215 CO -0.24 0.32 -0.13 -1.61 0.23 0.00 0.00 176.35 174.92 1xck s GLU 216 N -1.41 3.08 -1.50 1.70 2.02 -1.26 -2.14 118.70 119.19 1xck s GLU 216 Ca 0.19 -0.68 -0.07 0.00 0.02 0.00 0.00 54.97 54.43 1xck s GLU 216 Cb -0.12 -2.55 0.06 0.00 0.10 0.00 0.00 34.13 31.62 1xck s GLU 216 CO 0.09 0.36 0.61 0.43 0.02 0.00 0.00 175.26 176.78 1xck n SER 217 N 3.08 -1.79 -4.89 -0.19 7.64 0.45 -4.55 113.62 113.36 1xck n SER 217 Ca -0.18 -0.96 -0.29 0.00 1.01 0.00 0.00 58.87 58.44 1xck n SER 217 Cb 0.53 -3.15 0.04 0.00 -1.01 0.00 0.00 64.21 60.61 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 -6.63 2.95 0.19 1.43 0.04 -1.17 -4.53 135.00 127.28 1xck s PRO 218 Ca 0.29 0.39 0.01 0.00 0.04 0.00 0.00 61.00 61.73 1xck s PRO 218 Cb -0.16 -2.09 -0.04 0.00 0.04 0.00 0.00 34.50 32.26 1xck s PRO 218 CO 0.89 -0.91 0.35 -0.06 0.04 0.00 0.00 177.00 177.31 1xck s PHE 219 N -3.25 3.48 -0.17 0.56 0.08 -0.46 -3.26 117.98 114.96 1xck s PHE 219 Ca 0.57 0.22 0.00 0.00 0.12 0.00 0.00 56.93 57.84 1xck s PHE 219 Cb -0.11 -1.76 0.04 0.00 -0.57 0.00 0.00 43.02 40.62 1xck s PHE 219 CO 0.50 0.43 -0.08 0.42 -0.10 0.00 0.00 175.22 176.40 1xck s ILE 220 N -1.84 1.32 -0.23 0.64 1.01 -0.15 -0.54 121.20 121.41 1xck s ILE 220 Ca 0.37 -0.73 -0.18 0.00 0.00 0.00 0.00 60.65 60.11 1xck s ILE 220 Cb -0.11 -1.43 -0.03 0.00 0.01 0.00 0.00 42.46 40.91 1xck s ILE 220 CO 0.29 0.19 0.52 -0.22 0.00 0.00 0.00 174.94 175.72 1xck s LEU 221 N 1.55 4.10 -0.37 2.97 2.96 0.11 -0.57 118.68 129.44 1xck s LEU 221 Ca 0.01 0.62 -0.07 0.00 -0.22 0.00 0.00 54.13 54.46 1xck s LEU 221 Cb -0.15 -2.70 0.05 0.00 0.50 0.00 0.00 46.19 43.89 1xck s LEU 221 CO -0.08 -0.23 0.16 -0.76 -1.32 0.00 0.00 176.35 174.12 1xck s LEU 222 N 1.94 4.62 -0.18 -0.68 1.43 -1.26 -0.84 118.68 123.71 1xck s LEU 222 Ca 0.23 -1.27 0.01 0.00 -1.03 0.00 0.00 54.13 52.07 1xck s LEU 222 Cb -0.15 -1.91 0.03 0.00 0.03 0.00 0.00 46.19 44.18 1xck s LEU 222 CO 0.09 -0.40 -0.14 0.00 0.23 0.00 0.00 176.35 176.13 1xck s ALA 223 N 1.41 2.08 -1.35 4.21 0.00 -0.47 -0.61 121.76 127.03 1xck s ALA 223 Ca 0.00 -1.14 -0.13 0.00 0.00 0.00 0.00 51.96 50.69 1xck s ALA 223 Cb -0.20 -1.19 0.10 0.00 0.00 0.00 0.00 23.12 21.82 1xck s ALA 223 CO 0.03 -0.56 1.94 -3.47 0.00 0.00 0.00 175.76 173.69 1xck n ASP 224 N 4.68 4.59 0.00 0.00 2.03 -1.00 -3.00 116.55 123.85 1xck n ASP 224 Ca -0.17 -2.95 0.00 0.00 0.52 0.00 0.00 54.79 52.19 1xck n ASP 224 Cb 0.48 -1.61 0.00 0.00 -0.72 0.00 0.00 41.12 39.27 1xck n ASP 224 CO 0.00 0.00 0.00 2.29 -1.92 0.00 0.00 177.20 177.57 1xck n LYS 225 N 5.85 -1.61 -3.72 -0.67 2.85 -1.26 -4.07 118.16 115.52 1xck n LYS 225 Ca 0.46 0.00 -0.36 0.00 -1.05 0.00 0.00 58.31 57.37 1xck n LYS 225 Cb 0.40 0.00 -0.09 0.00 -0.65 0.00 0.00 35.03 34.69 1xck n LYS 225 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 177.40 177.50 1xck s LYS 226 N -2.00 4.12 -0.34 -1.58 1.02 -1.26 -0.76 119.74 118.94 1xck s LYS 226 Ca 0.00 -0.25 -0.12 0.00 0.02 0.00 0.00 55.97 55.62 1xck s LYS 226 Cb 0.00 -3.45 -0.01 0.00 -0.52 0.00 0.00 37.83 33.86 1xck s LYS 226 CO 0.00 0.20 0.22 0.42 -0.92 0.00 0.00 175.35 175.27 1xck s ILE 227 N 0.64 5.02 -0.05 2.17 1.01 -0.40 -4.92 121.20 124.67 1xck s ILE 227 Ca 0.07 -0.39 0.09 0.00 0.00 0.00 0.00 60.65 60.42 1xck s ILE 227 Cb -0.12 -3.62 -0.13 0.00 0.01 0.00 0.00 42.46 38.60 1xck s ILE 227 CO 0.01 -0.05 0.21 -1.20 0.00 0.00 0.00 174.94 173.90 1xck n SER 228 N 5.07 2.76 -3.99 3.58 7.64 -1.26 -0.52 113.62 126.89 1xck n SER 228 Ca -0.13 -0.07 -0.25 0.00 1.01 0.00 0.00 58.87 59.44 1xck n SER 228 Cb 0.49 1.36 -0.17 0.00 -1.01 0.00 0.00 64.21 64.88 1xck n SER 228 CO 0.00 0.00 0.00 0.20 -3.01 0.00 0.00 175.04 172.23 1xck s ASN 229 N -2.88 1.81 0.00 6.43 0.01 -1.26 -1.50 114.94 117.56 1xck s ASN 229 Ca -0.03 -0.29 0.01 0.00 -0.71 0.00 0.00 52.86 51.85 1xck s ASN 229 Cb 0.06 -0.81 0.07 0.00 0.41 0.00 0.00 41.25 40.98 1xck s ASN 229 CO 0.36 -0.01 0.51 0.00 -1.51 0.00 0.00 177.10 176.45 1xck n ILE 230 N 4.08 0.00 -0.11 0.60 3.06 -1.26 -3.08 119.36 122.66 1xck n ILE 230 Ca -0.21 0.00 -0.11 0.00 -2.50 0.00 0.00 62.75 59.93 1xck n ILE 230 Cb 0.51 -0.32 0.02 0.00 0.54 0.00 0.00 39.64 40.38 1xck n ILE 230 CO 0.00 0.00 0.00 -0.09 -2.50 0.00 0.00 176.55 173.96 1xck h ARG 231 N 0.00 0.88 0.00 9.51 2.43 -1.99 -2.79 114.38 122.42 1xck h ARG 231 Ca 0.00 -0.43 -0.09 0.00 -0.81 0.00 0.00 59.98 58.65 1xck h ARG 231 Cb 0.00 -0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.53 1xck h ARG 231 CO 0.00 1.08 -0.45 0.93 -1.51 0.00 0.00 179.97 180.02 1xck h GLU 232 N 0.74 0.00 -0.07 0.20 5.08 -1.95 -3.29 114.58 115.28 1xck h GLU 232 Ca 0.07 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.41 1xck h GLU 232 Cb 0.90 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.15 1xck h GLU 232 CO 0.08 0.45 -0.06 0.52 -1.00 0.00 0.00 179.01 179.00 1xck h MET 233 N 0.00 0.17 -0.22 2.33 2.86 -1.71 -3.32 114.93 115.04 1xck h MET 233 Ca -0.00 -0.09 0.02 0.00 -2.06 0.00 0.00 59.70 57.57 1xck h MET 233 Cb 0.96 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 32.59 1xck h MET 233 CO 0.06 0.59 -0.13 1.28 1.06 0.00 0.00 176.91 179.77 1xck n LEU 234 N -4.72 -0.23 -0.15 1.22 4.77 -1.07 -0.22 117.00 116.60 1xck n LEU 234 Ca -0.07 0.43 -0.03 0.00 -0.03 0.00 0.00 56.01 56.31 1xck n LEU 234 Cb 0.29 -0.07 0.05 0.00 -2.33 0.00 0.00 43.42 41.36 1xck n LEU 234 CO 0.36 -0.34 0.82 1.55 -1.33 0.00 0.00 177.39 178.45 1xck h PRO 235 N 0.00 0.07 -0.14 3.23 0.13 -1.83 -0.56 132.00 132.89 1xck h PRO 235 Ca 0.04 -0.00 -0.17 0.00 -0.87 0.00 0.00 66.00 65.00 1xck h PRO 235 Cb 0.09 -0.01 -0.01 0.00 0.13 0.00 0.00 31.00 31.20 1xck h PRO 235 CO -0.21 0.04 -0.60 0.28 -0.23 0.00 0.00 178.00 177.28 1xck h VAL 236 N 0.07 1.34 -0.03 1.56 2.07 -0.81 -2.92 116.25 117.53 1xck h VAL 236 Ca 0.24 -1.90 -0.06 0.00 0.82 0.00 0.00 66.70 65.80 1xck h VAL 236 Cb 0.36 1.88 -0.01 0.00 -1.52 0.00 0.00 31.29 32.00 1xck h VAL 236 CO -0.43 0.58 -0.27 -0.07 0.02 0.00 0.00 177.57 177.39 1xck h LEU 237 N 0.37 0.04 -0.03 2.57 3.38 -0.31 -2.34 115.31 118.99 1xck h LEU 237 Ca -0.00 -0.01 -0.26 0.00 0.09 0.00 0.00 57.88 57.70 1xck h LEU 237 Cb 1.15 -0.01 0.01 0.00 0.09 0.00 0.00 40.66 41.90 1xck h LEU 237 CO 0.11 0.32 -1.08 -0.33 0.09 0.00 0.00 178.44 177.55 1xck h GLU 238 N 0.04 0.48 -0.02 1.13 5.08 -1.07 -0.65 114.58 119.56 1xck h GLU 238 Ca 0.00 -0.58 -0.06 0.00 -1.00 0.00 0.00 59.36 57.72 1xck h GLU 238 Cb 0.51 0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.94 1xck h GLU 238 CO 0.04 1.22 -0.25 0.00 -1.00 0.00 0.00 179.01 179.02 1xck h ALA 239 N 0.56 1.54 0.00 3.43 0.00 -1.33 -0.78 119.26 122.68 1xck h ALA 239 Ca -0.12 -0.24 -0.10 0.00 0.00 0.00 0.00 54.91 54.45 1xck h ALA 239 Cb 1.74 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 19.47 1xck h ALA 239 CO 0.19 0.34 -0.47 0.28 0.00 0.00 0.00 179.25 179.60 1xck h VAL 240 N 0.04 0.81 -0.09 0.00 2.07 -1.30 -3.19 116.25 114.59 1xck h VAL 240 Ca 0.00 -2.11 -0.01 0.00 0.82 0.00 0.00 66.70 65.40 1xck h VAL 240 Cb 0.46 2.38 -0.00 0.00 -1.52 0.00 0.00 31.29 32.61 1xck h VAL 240 CO 0.03 0.46 0.03 0.00 0.02 0.00 0.00 177.57 178.11 1xck h ALA 241 N 1.53 0.12 -1.94 1.67 0.00 0.32 -3.25 119.26 117.72 1xck h ALA 241 Ca -0.00 -0.12 -0.41 0.00 0.00 0.00 0.00 54.91 54.37 1xck h ALA 241 Cb 1.34 -0.04 0.19 0.00 0.00 0.00 0.00 17.79 19.29 1xck h ALA 241 CO 0.06 -0.26 0.18 0.15 0.00 0.00 0.00 179.25 179.38 1xck s LYS 242 N -5.35 -1.16 0.00 0.00 1.02 -0.78 -2.73 119.74 110.74 1xck s LYS 242 Ca -0.14 -0.24 0.00 0.00 0.02 0.00 0.00 55.97 55.61 1xck s LYS 242 Cb 0.05 -1.62 0.00 0.00 -0.52 0.00 0.00 37.83 35.75 1xck s LYS 242 CO 0.69 -3.64 0.00 0.00 -0.92 0.00 0.00 175.35 171.48 1xck n ALA 243 N -4.67 0.00 -3.55 5.17 0.00 -1.26 -4.19 120.51 112.01 1xck n ALA 243 Ca 0.15 0.00 -0.22 0.00 0.00 0.00 0.00 53.44 53.38 1xck n ALA 243 Cb 0.60 0.00 0.08 0.00 0.00 0.00 0.00 19.45 20.13 1xck n ALA 243 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1xck n GLY 244 N 0.00 -0.48 3.47 0.00 0.00 -1.10 -5.03 105.19 102.05 1xck n GLY 244 Ca 0.00 0.20 -0.25 0.00 0.00 0.00 0.00 46.02 45.97 1xck n GLY 244 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1xck s LYS 245 N -5.98 1.67 0.96 1.61 1.02 -1.23 -5.10 119.74 112.70 1xck s LYS 245 Ca 0.37 -1.71 -0.15 0.00 0.02 0.00 0.00 55.97 54.51 1xck s LYS 245 Cb -0.17 -1.80 0.17 0.00 -0.52 0.00 0.00 37.83 35.52 1xck s LYS 245 CO 0.73 0.34 1.20 -1.25 -0.92 0.00 0.00 175.35 175.46 1xck s PRO 246 N -3.36 0.73 -0.01 -1.68 0.04 -1.26 -4.74 135.00 124.72 1xck s PRO 246 Ca 0.28 -0.02 0.00 0.00 0.04 0.00 0.00 61.00 61.31 1xck s PRO 246 Cb -0.06 -1.82 0.00 0.00 0.04 0.00 0.00 34.50 32.67 1xck s PRO 246 CO 0.14 -2.41 -0.01 -1.17 0.04 0.00 0.00 177.00 173.59 1xck s LEU 247 N -6.06 1.84 -0.18 -3.56 2.96 0.23 -1.35 118.68 112.56 1xck s LEU 247 Ca 0.68 -0.03 -0.02 0.00 -0.22 0.00 0.00 54.13 54.54 1xck s LEU 247 Cb -0.10 -0.10 -0.01 0.00 0.50 0.00 0.00 46.19 46.48 1xck s LEU 247 CO 0.53 -0.00 -0.08 -0.22 -1.32 0.00 0.00 176.35 175.25 1xck s LEU 248 N 0.16 2.82 -0.30 -0.68 2.96 0.30 -1.37 118.68 122.57 1xck s LEU 248 Ca -0.01 -0.36 -0.10 0.00 -0.22 0.00 0.00 54.13 53.45 1xck s LEU 248 Cb -0.03 -1.68 -0.01 0.00 0.50 0.00 0.00 46.19 44.96 1xck s LEU 248 CO -0.00 0.07 0.15 -0.63 -1.32 0.00 0.00 176.35 174.61 1xck s ILE 249 N 0.94 4.65 -0.31 6.68 -1.09 0.44 0.05 121.20 132.57 1xck s ILE 249 Ca -0.01 -0.33 0.01 0.00 -2.23 0.00 0.00 60.65 58.08 1xck s ILE 249 Cb -0.15 -3.33 0.07 0.00 -1.58 0.00 0.00 42.46 37.47 1xck s ILE 249 CO -0.00 0.11 -0.01 -0.63 -1.23 0.00 0.00 174.94 173.18 1xck s ILE 250 N 1.63 2.60 0.39 2.92 1.01 -0.02 -0.78 121.20 128.95 1xck s ILE 250 Ca 0.05 -1.73 0.05 0.00 0.00 0.00 0.00 60.65 59.02 1xck s ILE 250 Cb -0.17 -2.62 -0.02 0.00 0.01 0.00 0.00 42.46 39.66 1xck s ILE 250 CO 0.06 -0.24 0.17 0.00 0.00 0.00 0.00 174.94 174.94 1xck s ALA 251 N 1.12 2.66 0.40 9.38 0.00 -1.12 -1.37 121.76 132.84 1xck s ALA 251 Ca -0.02 -1.42 0.07 0.00 0.00 0.00 0.00 51.96 50.58 1xck s ALA 251 Cb -0.20 0.96 0.83 0.00 0.00 0.00 0.00 23.12 24.71 1xck s ALA 251 CO -0.04 -0.43 2.04 1.49 0.00 0.00 0.00 175.76 178.82 1xck h GLU 252 N 1.87 0.59 -1.39 0.00 4.81 -0.85 0.53 114.58 120.14 1xck h GLU 252 Ca -0.32 -0.04 0.27 0.00 -0.13 0.00 0.00 59.36 59.15 1xck h GLU 252 Cb 1.26 -0.13 -0.19 0.00 0.63 0.00 0.00 28.75 30.32 1xck h GLU 252 CO 0.50 0.39 0.85 0.34 -0.73 0.00 0.00 179.01 180.36 1xck s ASP 253 N -6.58 -0.11 -0.18 1.04 -1.08 -1.23 -4.31 116.67 104.21 1xck s ASP 253 Ca -0.09 -0.00 -0.02 0.00 -0.52 0.00 0.00 52.55 51.92 1xck s ASP 253 Cb 0.18 0.12 0.05 0.00 -1.46 0.00 0.00 42.92 41.81 1xck s ASP 253 CO 0.74 -0.19 -0.00 -0.69 0.52 0.00 0.00 175.17 175.55 1xck s VAL 254 N -2.34 0.79 0.45 1.11 1.01 -1.26 -1.27 120.40 118.90 1xck s VAL 254 Ca 0.10 -0.61 0.07 0.00 0.00 0.00 0.00 61.98 61.54 1xck s VAL 254 Cb -0.01 -1.15 -0.02 0.00 0.00 0.00 0.00 36.38 35.20 1xck s VAL 254 CO -0.04 -0.07 0.30 -1.61 0.00 0.00 0.00 175.10 173.67 1xck s GLU 255 N 1.75 2.33 0.00 2.72 2.02 0.32 -4.67 118.70 123.17 1xck s GLU 255 Ca -0.01 -1.82 0.00 0.00 0.02 0.00 0.00 54.97 53.17 1xck s GLU 255 Cb -0.16 -2.12 0.00 0.00 0.10 0.00 0.00 34.13 31.95 1xck s GLU 255 CO -0.07 -0.28 0.00 0.41 0.02 0.00 0.00 175.26 175.33 1xck n GLY 256 N -1.48 0.00 0.38 -1.39 0.00 -1.26 -1.68 105.19 99.77 1xck n GLY 256 Ca -0.00 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.97 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 -0.07 -0.03 1.61 4.22 -1.94 0.34 114.58 118.70 1xck h GLU 257 Ca 0.00 0.01 0.02 0.00 0.08 0.00 0.00 59.36 59.47 1xck h GLU 257 Cb 0.00 0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.24 1xck h GLU 257 CO 0.00 -0.05 -0.10 0.00 -2.18 0.00 0.00 179.01 176.68 1xck h ALA 258 N 1.06 -0.08 -0.03 2.92 0.00 -0.90 0.11 119.26 122.33 1xck h ALA 258 Ca 0.27 0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.20 1xck h ALA 258 Cb 0.56 0.18 -0.00 0.00 0.00 0.00 0.00 17.79 18.53 1xck h ALA 258 CO -0.87 -0.58 0.02 1.25 0.00 0.00 0.00 179.25 179.07 1xck h LEU 259 N -0.15 0.04 -0.19 0.00 5.85 -0.39 -0.79 115.31 119.67 1xck h LEU 259 Ca 0.05 -0.07 0.05 0.00 0.84 0.00 0.00 57.88 58.76 1xck h LEU 259 Cb 0.22 -0.01 -0.07 0.00 0.37 0.00 0.00 40.66 41.17 1xck h LEU 259 CO -0.12 0.10 -0.31 0.00 -0.34 0.00 0.00 178.44 177.76 1xck h ALA 260 N 0.95 -0.30 -0.66 1.25 0.00 -0.17 0.30 119.26 120.63 1xck h ALA 260 Ca 0.01 0.04 0.09 0.00 0.00 0.00 0.00 54.91 55.05 1xck h ALA 260 Cb 0.06 0.60 -0.07 0.00 0.00 0.00 0.00 17.79 18.39 1xck h ALA 260 CO -0.00 -0.76 0.31 1.15 0.00 0.00 0.00 179.25 179.94 1xck h THR 261 N -0.35 0.84 -0.25 0.00 2.02 -0.57 -1.64 112.91 112.96 1xck h THR 261 Ca 0.11 -0.18 -0.02 0.00 0.77 0.00 0.00 66.41 67.09 1xck h THR 261 Cb 0.53 0.26 -0.01 0.00 -1.74 0.00 0.00 68.15 67.18 1xck h THR 261 CO -0.39 0.10 0.08 -0.07 0.37 0.00 0.00 175.52 175.61 1xck h LEU 262 N 0.53 0.36 -1.01 2.58 3.38 -0.15 -1.06 115.31 119.94 1xck h LEU 262 Ca 0.32 -0.20 0.13 0.00 0.09 0.00 0.00 57.88 58.22 1xck h LEU 262 Cb 0.34 -0.09 -0.09 0.00 0.09 0.00 0.00 40.66 40.91 1xck h LEU 262 CO -0.27 0.47 0.63 0.58 0.09 0.00 0.00 178.44 179.94 1xck h VAL 263 N 0.24 0.89 0.01 1.22 2.07 0.15 -2.16 116.25 118.67 1xck h VAL 263 Ca 0.08 -0.33 -0.00 0.00 0.82 0.00 0.00 66.70 67.27 1xck h VAL 263 Cb 0.24 -0.16 0.00 0.00 -1.52 0.00 0.00 31.29 29.85 1xck h VAL 263 CO -0.00 0.18 -0.01 0.58 0.02 0.00 0.00 177.57 178.34 1xck h VAL 264 N 0.96 0.00 -0.95 2.57 2.07 -1.08 -3.05 116.25 116.78 1xck h VAL 264 Ca 0.51 -0.02 0.24 0.00 0.82 0.00 0.00 66.70 68.25 1xck h VAL 264 Cb 0.56 0.00 -0.17 0.00 -1.52 0.00 0.00 31.29 30.15 1xck h VAL 264 CO -0.28 0.00 -0.02 0.78 0.02 0.00 0.00 177.57 178.07 1xck h ASN 265 N -0.03 -0.53 0.59 0.57 -0.26 -1.17 1.03 115.58 115.78 1xck h ASN 265 Ca -0.00 0.27 -0.04 0.00 -0.56 0.00 0.00 56.30 55.96 1xck h ASN 265 Cb 0.01 0.48 -0.01 0.00 -1.06 0.00 0.00 38.32 37.75 1xck h ASN 265 CO 0.00 -0.32 -0.20 0.71 -1.06 0.00 0.00 177.43 176.57 1xck h THR 266 N 0.03 0.65 -0.26 2.81 1.35 -1.46 -1.52 112.91 114.50 1xck h THR 266 Ca 0.54 -0.88 0.00 0.00 -0.55 0.00 0.00 66.41 65.52 1xck h THR 266 Cb 1.05 1.57 0.00 0.00 -1.73 0.00 0.00 68.15 69.04 1xck h THR 266 CO -0.89 0.20 0.00 0.80 -0.25 0.00 0.00 175.52 175.38 1xck n MET 267 N -3.58 2.63 -1.00 4.72 0.00 0.35 -3.28 117.12 116.97 1xck n MET 267 Ca -0.01 -1.37 0.01 0.00 -0.00 0.00 0.00 57.70 56.33 1xck n MET 267 Cb 0.34 -1.78 0.01 0.00 0.00 0.00 0.00 33.22 31.79 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 0.30 0.00 -0.60 2.12 1.74 -0.66 -4.98 116.66 114.58 1xck n ARG 268 Ca 0.12 -1.41 0.00 0.00 -0.77 0.00 0.00 57.85 55.79 1xck n ARG 268 Cb 0.63 -0.18 0.00 0.00 -1.02 0.00 0.00 32.46 31.89 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 0.23 0.00 2.84 -0.13 0.00 -1.20 -4.81 105.19 102.11 1xck n GLY 269 Ca 0.01 0.00 -0.42 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 -1.69 3.85 -0.60 -0.61 5.41 -0.68 -4.72 119.36 120.32 1xck n ILE 270 Ca 0.00 -3.66 0.00 0.00 1.00 0.00 0.00 62.75 60.09 1xck n ILE 270 Cb 0.15 -2.49 0.00 0.00 -0.71 0.00 0.00 39.64 36.59 1xck n ILE 270 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 176.55 177.07 1xck n VAL 271 N 4.44 -3.18 -2.83 1.39 0.31 -1.26 -4.23 118.33 112.96 1xck n VAL 271 Ca 0.47 0.50 -0.42 0.00 -0.01 0.00 0.00 64.34 64.87 1xck n VAL 271 Cb 0.38 -2.19 -0.04 0.00 -0.91 0.00 0.00 33.84 31.08 1xck n VAL 271 CO 0.00 0.00 0.00 -0.54 -1.32 0.00 0.00 176.83 174.97 1xck s LYS 272 N -2.97 3.97 0.07 5.55 3.01 -1.26 -3.69 119.74 124.42 1xck s LYS 272 Ca 0.00 0.73 0.03 0.00 -1.01 0.00 0.00 55.97 55.71 1xck s LYS 272 Cb 0.00 -3.74 -0.03 0.00 -1.01 0.00 0.00 37.83 33.04 1xck s LYS 272 CO 0.00 -0.79 -0.09 0.08 0.51 0.00 0.00 175.35 175.07 1xck s VAL 273 N 3.24 0.72 -0.11 3.17 1.01 -1.26 -0.60 120.40 126.57 1xck s VAL 273 Ca 0.37 -1.45 -0.09 0.00 0.00 0.00 0.00 61.98 60.81 1xck s VAL 273 Cb -0.13 -1.10 0.03 0.00 0.00 0.00 0.00 36.38 35.18 1xck s VAL 273 CO 0.14 -0.54 0.28 0.00 0.00 0.00 0.00 175.10 174.99 1xck s ALA 274 N -2.20 -0.69 0.02 5.51 0.00 -0.47 -4.88 121.76 119.04 1xck s ALA 274 Ca -0.00 0.85 0.08 0.00 0.00 0.00 0.00 51.96 52.88 1xck s ALA 274 Cb -0.04 -0.50 -0.02 0.00 0.00 0.00 0.00 23.12 22.55 1xck s ALA 274 CO -0.01 -0.15 -0.23 0.00 0.00 0.00 0.00 175.76 175.38 1xck s ALA 275 N 0.34 1.91 0.01 0.00 0.00 -1.26 -0.42 121.76 122.34 1xck s ALA 275 Ca -0.02 -1.08 -0.06 0.00 0.00 0.00 0.00 51.96 50.81 1xck s ALA 275 Cb -0.03 -0.42 -0.00 0.00 0.00 0.00 0.00 23.12 22.66 1xck s ALA 275 CO -0.01 0.45 0.11 0.14 0.00 0.00 0.00 175.76 176.45 1xck s VAL 276 N -0.70 0.10 0.50 0.00 -7.23 0.04 -0.93 120.40 112.18 1xck s VAL 276 Ca 0.09 -0.80 -0.21 0.00 -1.81 0.00 0.00 61.98 59.25 1xck s VAL 276 Cb -0.09 -0.50 -0.06 0.00 0.56 0.00 0.00 36.38 36.28 1xck s VAL 276 CO 0.01 -0.44 1.15 -0.54 -0.31 0.00 0.00 175.10 174.97 1xck s LYS 277 N -1.65 3.53 0.59 4.82 1.02 -1.26 -2.77 119.74 124.02 1xck s LYS 277 Ca -0.13 1.71 -0.18 0.00 0.02 0.00 0.00 55.97 57.39 1xck s LYS 277 Cb -0.07 -2.20 -0.04 0.00 -0.52 0.00 0.00 37.83 35.01 1xck s LYS 277 CO 0.00 -0.73 1.17 0.00 -0.92 0.00 0.00 175.35 174.87 1xck s ALA 278 N -1.64 2.56 0.50 5.17 0.00 0.18 -4.78 121.76 123.75 1xck s ALA 278 Ca 0.68 0.87 -0.21 0.00 0.00 0.00 0.00 51.96 53.31 1xck s ALA 278 Cb -0.27 -3.40 -0.07 0.00 0.00 0.00 0.00 23.12 19.38 1xck s ALA 278 CO 0.31 -1.07 1.14 -1.25 0.00 0.00 0.00 175.76 174.89 1xck s PRO 279 N -3.45 3.57 2.18 0.00 0.04 -1.26 -4.87 135.00 131.22 1xck s PRO 279 Ca 0.74 1.67 0.00 0.00 0.04 0.00 0.00 61.00 63.45 1xck s PRO 279 Cb -0.27 -2.20 0.00 0.00 0.04 0.00 0.00 34.50 32.08 1xck s PRO 279 CO 0.33 -0.68 0.00 0.41 0.04 0.00 0.00 177.00 177.10 1xck n GLY 280 N 0.27 -0.66 3.64 0.56 0.00 -1.26 -4.47 105.19 103.28 1xck n GLY 280 Ca 0.09 -1.11 -0.12 0.00 0.00 0.00 0.00 46.02 44.88 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 0.63 0.00 1.61 -0.71 -1.26 -4.84 117.98 113.41 1xck s PHE 281 Ca 0.00 -1.08 0.00 0.00 -1.04 0.00 0.00 56.93 54.81 1xck s PHE 281 Cb 0.00 0.37 0.00 0.00 -1.21 0.00 0.00 43.02 42.18 1xck s PHE 281 CO 0.00 -1.36 0.00 0.41 -1.34 0.00 0.00 175.22 172.93 1xck n GLY 282 N -0.56 2.46 0.09 1.99 0.00 -1.26 -2.67 105.19 105.25 1xck n GLY 282 Ca -0.04 -0.45 -0.14 0.00 0.00 0.00 0.00 46.02 45.40 1xck n GLY 282 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1xck h ASP 283 N 9.74 0.18 0.00 1.61 3.32 -2.01 -3.20 116.42 126.05 1xck h ASP 283 Ca 0.00 -0.63 0.00 0.00 0.02 0.00 0.00 57.03 56.42 1xck h ASP 283 Cb 0.00 -0.05 0.00 0.00 0.22 0.00 0.00 39.33 39.50 1xck h ASP 283 CO 0.00 0.77 0.10 0.08 -1.72 0.00 0.00 179.24 178.47 1xck h ARG 284 N -0.41 0.00 -0.20 3.56 0.11 -1.98 0.16 114.38 115.63 1xck h ARG 284 Ca -0.01 0.00 -0.21 0.00 0.10 0.00 0.00 59.98 59.87 1xck h ARG 284 Cb 0.76 0.00 0.01 0.00 1.11 0.00 0.00 29.97 31.85 1xck h ARG 284 CO 0.03 0.00 -0.69 -0.09 0.10 0.00 0.00 179.97 179.31 1xck h ARG 285 N 0.00 0.81 0.00 0.08 2.43 -1.50 -2.14 114.38 114.06 1xck h ARG 285 Ca 0.00 -0.60 -0.08 0.00 -0.81 0.00 0.00 59.98 58.48 1xck h ARG 285 Cb 0.20 0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 29.84 1xck h ARG 285 CO 0.00 1.22 -0.40 0.87 -1.51 0.00 0.00 179.97 180.16 1xck h LYS 286 N 0.58 0.00 0.04 0.20 1.57 -0.80 -1.79 116.57 116.37 1xck h LYS 286 Ca -0.03 0.00 -0.27 0.00 -1.87 0.00 0.00 60.65 58.49 1xck h LYS 286 Cb 1.31 0.00 0.02 0.00 0.08 0.00 0.00 32.23 33.64 1xck h LYS 286 CO 0.15 0.40 -1.08 0.00 -0.57 0.00 0.00 179.45 178.34 1xck h ALA 287 N 1.60 0.15 -0.16 3.86 0.00 -1.38 -3.09 119.26 120.24 1xck h ALA 287 Ca -0.00 -0.73 -0.14 0.00 0.00 0.00 0.00 54.91 54.04 1xck h ALA 287 Cb 0.79 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.63 1xck h ALA 287 CO 0.05 0.73 -0.49 0.52 0.00 0.00 0.00 179.25 180.05 1xck h MET 288 N 0.32 0.44 -0.68 0.00 2.86 -1.24 -1.76 114.93 114.86 1xck h MET 288 Ca -0.13 -0.25 0.02 0.00 -2.06 0.00 0.00 59.70 57.27 1xck h MET 288 Cb 1.74 0.02 -0.04 0.00 0.06 0.00 0.00 31.60 33.38 1xck h MET 288 CO 0.20 0.84 0.44 -0.07 1.06 0.00 0.00 176.91 179.38 1xck h LEU 289 N 0.35 0.73 -0.94 1.22 3.38 -1.36 -1.19 115.31 117.49 1xck h LEU 289 Ca 0.02 -0.01 -0.06 0.00 0.09 0.00 0.00 57.88 57.92 1xck h LEU 289 Cb 0.99 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 41.55 1xck h LEU 289 CO 0.09 0.51 0.15 -0.61 0.09 0.00 0.00 178.44 178.67 1xck h GLN 290 N 0.87 0.92 -0.55 1.13 5.75 -1.39 -0.81 115.11 121.02 1xck h GLN 290 Ca 0.27 -0.20 0.05 0.00 -0.15 0.00 0.00 58.65 58.62 1xck h GLN 290 Cb -0.02 -0.13 -0.05 0.00 1.07 0.00 0.00 27.48 28.34 1xck h GLN 290 CO -0.09 0.82 0.27 -0.44 -2.65 0.00 0.00 178.83 176.74 1xck h ASP 291 N 0.88 0.38 -0.68 -0.69 3.32 -0.37 0.13 116.42 119.39 1xck h ASP 291 Ca 0.19 0.04 -0.06 0.00 0.02 0.00 0.00 57.03 57.21 1xck h ASP 291 Cb 0.32 -0.03 -0.03 0.00 0.22 0.00 0.00 39.33 39.80 1xck h ASP 291 CO -0.00 0.26 0.18 0.40 -1.72 0.00 0.00 179.24 178.35 1xck h ILE 292 N 0.52 1.26 0.20 0.35 2.04 -0.77 -1.30 117.51 119.81 1xck h ILE 292 Ca 0.25 -0.94 0.00 0.00 1.00 0.00 0.00 64.86 65.17 1xck h ILE 292 Cb 0.17 0.53 -0.02 0.00 -0.74 0.00 0.00 36.82 36.77 1xck h ILE 292 CO -0.18 0.36 -0.20 0.00 0.00 0.00 0.00 178.15 178.13 1xck h ALA 293 N 1.15 -0.41 0.10 1.87 0.00 0.04 -0.52 119.26 121.48 1xck h ALA 293 Ca 0.22 -0.06 0.02 0.00 0.00 0.00 0.00 54.91 55.09 1xck h ALA 293 Cb 0.35 0.29 -0.05 0.00 0.00 0.00 0.00 17.79 18.38 1xck h ALA 293 CO -0.00 -0.76 -0.46 1.15 0.00 0.00 0.00 179.25 179.18 1xck h THR 294 N -0.44 0.09 -0.94 0.00 2.02 -0.48 0.38 112.91 113.54 1xck h THR 294 Ca 0.00 0.00 0.20 0.00 0.77 0.00 0.00 66.41 67.38 1xck h THR 294 Cb 0.41 0.09 -0.08 0.00 -1.74 0.00 0.00 68.15 66.84 1xck h THR 294 CO -0.05 0.00 0.61 0.25 0.37 0.00 0.00 175.52 176.70 1xck h LEU 295 N -0.68 0.52 -2.00 2.58 7.12 -1.06 -1.86 115.31 119.93 1xck h LEU 295 Ca 0.02 0.06 0.00 0.00 0.13 0.00 0.00 57.88 58.08 1xck h LEU 295 Cb 0.71 -0.04 0.00 0.00 -0.53 0.00 0.00 40.66 40.80 1xck h LEU 295 CO -0.28 0.20 0.00 0.35 -0.13 0.00 0.00 178.44 178.58 1xck n THR 296 N -4.58 0.19 -2.96 1.05 -2.24 -0.22 -1.81 114.28 103.72 1xck n THR 296 Ca 0.21 -0.60 -0.19 0.00 -2.27 0.00 0.00 64.05 61.21 1xck n THR 296 Cb 0.67 1.26 0.04 0.00 -2.10 0.00 0.00 70.33 70.19 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 1.23 -0.30 3.83 3.38 0.00 0.11 -0.49 105.19 112.95 1xck n GLY 297 Ca 0.14 -0.02 -0.25 0.00 0.00 0.00 0.00 46.02 45.89 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 -2.84 2.39 -0.08 -0.02 0.00 -0.04 -4.49 107.32 102.24 1xck s GLY 298 Ca 0.29 -1.57 0.05 0.00 0.00 0.00 0.00 44.72 43.48 1xck s GLY 298 CO 0.35 -1.92 -0.24 -1.59 0.00 0.00 0.00 173.10 169.71 1xck s THR 299 N -2.68 2.10 0.03 0.90 2.01 0.21 -4.41 115.64 113.81 1xck s THR 299 Ca 0.36 -1.02 -0.30 0.00 0.31 0.00 0.00 61.69 61.04 1xck s THR 299 Cb 0.00 -1.79 -0.04 0.00 0.01 0.00 0.00 72.50 70.68 1xck s THR 299 CO 0.21 0.56 1.08 -0.69 -0.69 0.00 0.00 174.62 175.09 1xck s VAL 300 N 0.14 4.48 -0.86 3.82 1.01 -1.26 -4.44 120.40 123.30 1xck s VAL 300 Ca -0.13 1.79 -0.12 0.00 0.00 0.00 0.00 61.98 63.52 1xck s VAL 300 Cb -0.16 -4.15 0.22 0.00 0.00 0.00 0.00 36.38 32.29 1xck s VAL 300 CO 0.07 0.14 0.80 -0.63 0.00 0.00 0.00 175.10 175.48 1xck s ILE 301 N 1.00 5.51 -0.11 2.22 1.01 0.22 -4.96 121.20 126.10 1xck s ILE 301 Ca 0.55 -2.68 -0.09 0.00 0.00 0.00 0.00 60.65 58.43 1xck s ILE 301 Cb -0.25 -4.40 -0.04 0.00 0.01 0.00 0.00 42.46 37.78 1xck s ILE 301 CO 0.29 -1.04 0.20 -0.94 0.00 0.00 0.00 174.94 173.44 1xck s SER 302 N 1.88 6.44 0.19 3.58 1.04 -1.26 -2.36 113.70 123.21 1xck s SER 302 Ca 0.20 0.53 -0.09 0.00 0.48 0.00 0.00 55.95 57.07 1xck s SER 302 Cb -0.11 -2.11 0.09 0.00 0.10 0.00 0.00 66.02 63.99 1xck s SER 302 CO -0.08 0.34 1.68 -0.33 0.98 0.00 0.00 173.24 175.83 1xck h GLU 303 N 5.28 1.10 -0.44 4.02 5.08 -1.74 -2.25 114.58 125.64 1xck h GLU 303 Ca -0.52 -0.30 0.04 0.00 -1.00 0.00 0.00 59.36 57.59 1xck h GLU 303 Cb 1.21 -0.13 -0.05 0.00 0.50 0.00 0.00 28.75 30.28 1xck h GLU 303 CO 0.62 1.01 -0.26 0.39 -1.00 0.00 0.00 179.01 179.77 1xck n GLU 304 N -4.22 -0.19 0.00 2.33 1.02 -1.26 0.27 120.64 118.58 1xck n GLU 304 Ca 0.04 1.21 0.00 0.00 -0.02 0.00 0.00 57.16 58.39 1xck n GLU 304 Cb 0.29 -1.79 0.00 0.00 -0.02 0.00 0.00 31.44 29.93 1xck n GLU 304 CO 0.00 0.00 0.00 -0.89 1.18 0.00 0.00 177.13 177.42 1xck n ILE 305 N -3.99 1.11 -1.60 -3.67 5.41 -1.22 -4.77 119.36 110.64 1xck n ILE 305 Ca 0.01 0.29 0.00 0.00 1.00 0.00 0.00 62.75 64.05 1xck n ILE 305 Cb 0.11 -1.29 0.00 0.00 -0.71 0.00 0.00 39.64 37.75 1xck n ILE 305 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1xck n GLY 306 N -1.27 0.77 3.86 7.39 0.00 0.77 -5.06 105.19 111.65 1xck n GLY 306 Ca 0.00 -0.67 -0.35 0.00 0.00 0.00 0.00 46.02 45.00 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 -3.39 3.84 -0.02 1.61 -1.94 -0.85 -5.00 119.30 113.56 1xck s MET 307 Ca 0.00 0.30 0.06 0.00 -1.71 0.00 0.00 55.69 54.33 1xck s MET 307 Cb 0.00 -2.98 -0.02 0.00 2.01 0.00 0.00 34.83 33.83 1xck s MET 307 CO 0.00 0.54 -0.19 -1.21 -0.01 0.00 0.00 175.02 174.14 1xck s GLU 308 N -1.90 2.28 0.47 2.03 2.02 -1.26 -4.25 118.70 118.09 1xck s GLU 308 Ca 0.34 -0.83 0.21 0.00 0.02 0.00 0.00 54.97 54.72 1xck s GLU 308 Cb -0.14 -2.22 1.16 0.00 0.10 0.00 0.00 34.13 33.03 1xck s GLU 308 CO 0.18 0.59 1.98 -0.07 0.02 0.00 0.00 175.26 177.96 1xck h LEU 309 N 5.27 0.00 -0.84 1.80 3.38 -1.93 -2.31 115.31 120.68 1xck h LEU 309 Ca -0.45 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.43 1xck h LEU 309 Cb 1.14 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.87 1xck h LEU 309 CO 0.49 0.20 -0.05 -0.33 0.09 0.00 0.00 178.44 178.83 1xck h GLU 310 N 0.00 0.81 -0.11 1.13 3.07 -1.94 -2.08 114.58 115.46 1xck h GLU 310 Ca -0.00 -0.25 0.00 0.00 -0.50 0.00 0.00 59.36 58.61 1xck h GLU 310 Cb 0.44 -0.08 0.00 0.00 -0.84 0.00 0.00 28.75 28.27 1xck h GLU 310 CO 0.03 0.85 0.00 1.63 -1.40 0.00 0.00 179.01 180.12 1xck n LYS 311 N -4.19 1.29 -2.62 2.33 5.02 -0.88 -4.77 118.16 114.34 1xck n LYS 311 Ca 0.02 -0.44 -0.42 0.00 -2.02 0.00 0.00 58.31 55.45 1xck n LYS 311 Cb 0.33 -1.15 -0.03 0.00 -0.02 0.00 0.00 35.03 34.17 1xck n LYS 311 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1xck s ALA 312 N -1.85 3.25 0.23 7.82 0.00 -0.78 -4.99 121.76 125.44 1xck s ALA 312 Ca 0.13 0.61 0.08 0.00 0.00 0.00 0.00 51.96 52.78 1xck s ALA 312 Cb 0.06 -3.38 -0.04 0.00 0.00 0.00 0.00 23.12 19.76 1xck s ALA 312 CO 0.09 -0.34 0.04 0.95 0.00 0.00 0.00 175.76 176.51 1xck s THR 313 N 1.16 3.77 0.58 0.00 -4.23 -1.26 -4.45 115.64 111.22 1xck s THR 313 Ca 0.54 -1.63 0.31 0.00 -1.18 0.00 0.00 61.69 59.73 1xck s THR 313 Cb -0.23 -2.98 0.43 0.00 1.34 0.00 0.00 72.50 71.06 1xck s THR 313 CO 0.27 -0.28 1.72 -0.07 -0.54 0.00 0.00 174.62 175.73 1xck h LEU 314 N 2.08 0.00 -0.56 4.79 3.38 -1.95 0.51 115.31 123.57 1xck h LEU 314 Ca -0.46 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.41 1xck h LEU 314 Cb 1.23 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.97 1xck h LEU 314 CO 0.60 0.00 -0.49 -0.08 0.09 0.00 0.00 178.44 178.56 1xck h GLU 315 N 0.00 0.00 0.00 1.13 4.81 -1.99 -2.79 114.58 115.74 1xck h GLU 315 Ca 0.37 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.60 1xck h GLU 315 Cb 1.91 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 31.29 1xck h GLU 315 CO -0.00 0.49 -0.04 -0.44 -0.73 0.00 0.00 179.01 178.28 1xck h ASP 316 N 0.00 0.00 -3.87 1.04 3.32 -0.34 -3.43 116.42 113.14 1xck h ASP 316 Ca -0.00 0.00 -0.51 0.00 0.02 0.00 0.00 57.03 56.54 1xck h ASP 316 Cb 1.14 0.00 0.04 0.00 0.22 0.00 0.00 39.33 40.73 1xck h ASP 316 CO 0.06 0.04 0.52 -0.76 -1.72 0.00 0.00 179.24 177.38 1xck s LEU 317 N -6.31 4.39 0.88 1.55 1.02 -1.05 0.67 118.68 119.83 1xck s LEU 317 Ca 0.01 2.40 -0.11 0.00 0.02 0.00 0.00 54.13 56.44 1xck s LEU 317 Cb 0.09 -3.78 0.17 0.00 0.02 0.00 0.00 46.19 42.69 1xck s LEU 317 CO 0.55 -0.42 1.22 -0.83 0.02 0.00 0.00 176.35 176.89 1xck s GLY 318 N -0.88 1.76 -0.22 -3.19 0.00 0.27 -4.34 107.32 100.71 1xck s GLY 318 Ca 0.50 -1.28 -0.25 0.00 0.00 0.00 0.00 44.72 43.68 1xck s GLY 318 CO 0.43 -0.60 0.69 1.62 0.00 0.00 0.00 173.10 175.24 1xck s GLN 319 N -5.65 0.85 -0.00 2.90 0.74 0.36 -0.98 119.66 117.88 1xck s GLN 319 Ca 0.71 0.84 -0.18 0.00 0.05 0.00 0.00 55.36 56.77 1xck s GLN 319 Cb -0.05 0.41 0.03 0.00 1.10 0.00 0.00 33.01 34.51 1xck s GLN 319 CO 0.50 -0.14 0.40 0.00 -0.55 0.00 0.00 175.29 175.50 1xck s ALA 320 N 0.09 -1.00 0.49 1.58 0.00 -1.20 -1.57 121.76 120.15 1xck s ALA 320 Ca -0.02 0.47 0.15 0.00 0.00 0.00 0.00 51.96 52.57 1xck s ALA 320 Cb -0.04 0.14 1.19 0.00 0.00 0.00 0.00 23.12 24.41 1xck s ALA 320 CO 0.03 -0.33 2.09 0.87 0.00 0.00 0.00 175.76 178.42 1xck h LYS 321 N 3.47 0.14 -2.04 0.00 1.57 -1.11 -3.10 116.57 115.49 1xck h LYS 321 Ca -0.30 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.48 1xck h LYS 321 Cb 1.18 -0.03 -0.19 0.00 0.08 0.00 0.00 32.23 33.27 1xck h LYS 321 CO 0.41 0.09 0.32 0.50 -0.57 0.00 0.00 179.45 180.20 1xck s ARG 322 N -5.17 0.94 -0.04 3.15 3.52 -0.87 -0.41 118.95 120.07 1xck s ARG 322 Ca -0.06 0.08 -0.03 0.00 -0.13 0.00 0.00 55.73 55.59 1xck s ARG 322 Cb 0.18 0.44 0.02 0.00 -1.56 0.00 0.00 34.95 34.02 1xck s ARG 322 CO 0.70 -0.32 0.10 0.14 -0.81 0.00 0.00 175.30 175.10 1xck s VAL 323 N -1.70 -0.01 -0.04 7.11 -7.23 -0.91 0.19 120.40 117.80 1xck s VAL 323 Ca -0.05 0.04 0.05 0.00 -1.81 0.00 0.00 61.98 60.21 1xck s VAL 323 Cb -0.00 -0.15 -0.01 0.00 0.56 0.00 0.00 36.38 36.78 1xck s VAL 323 CO 0.03 0.02 -0.19 -0.69 -0.31 0.00 0.00 175.10 173.96 1xck s VAL 324 N 0.29 1.55 -0.10 1.32 1.01 -0.57 -2.10 120.40 121.81 1xck s VAL 324 Ca -0.02 -0.79 0.01 0.00 0.00 0.00 0.00 61.98 61.18 1xck s VAL 324 Cb -0.03 -1.33 0.02 0.00 0.00 0.00 0.00 36.38 35.04 1xck s VAL 324 CO -0.01 0.44 -0.10 -0.63 0.00 0.00 0.00 175.10 174.81 1xck s ILE 325 N -0.02 1.10 0.00 2.22 1.01 -0.24 -0.78 121.20 124.49 1xck s ILE 325 Ca -0.03 -0.38 0.00 0.00 0.00 0.00 0.00 60.65 60.24 1xck s ILE 325 Cb -0.12 -1.08 0.00 0.00 0.01 0.00 0.00 42.46 41.28 1xck s ILE 325 CO 0.02 0.37 0.00 0.59 0.00 0.00 0.00 174.94 175.92 1xck n ASN 326 N 4.56 0.00 0.19 3.58 3.02 0.24 -1.33 115.26 125.52 1xck n ASN 326 Ca -0.16 -0.30 0.08 0.00 -0.03 0.00 0.00 54.58 54.17 1xck n ASN 326 Cb 0.51 0.00 0.18 0.00 -0.61 0.00 0.00 39.78 39.86 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 -0.14 0.00 -1.27 0.00 0.00 60.65 59.24 1xck h LYS 327 Cb 0.00 0.00 -0.21 0.00 -0.41 0.00 0.00 32.23 31.61 1xck h LYS 327 CO 0.00 0.24 -0.54 -0.40 -2.27 0.00 0.00 179.45 176.49 1xck n ASP 328 N -3.20 -0.29 -3.71 4.20 5.68 -1.26 -4.03 116.55 113.95 1xck n ASP 328 Ca 0.02 -1.97 -0.11 0.00 -0.50 0.00 0.00 54.79 52.23 1xck n ASP 328 Cb 0.59 0.08 -0.11 0.00 -1.14 0.00 0.00 41.12 40.54 1xck n ASP 328 CO 0.00 0.00 0.00 -0.89 -1.33 0.00 0.00 177.20 174.98 1xck s THR 329 N 0.00 -0.02 -0.10 2.12 2.01 -1.13 -3.18 115.64 115.34 1xck s THR 329 Ca 0.11 0.09 0.04 0.00 0.31 0.00 0.00 61.69 62.24 1xck s THR 329 Cb 0.13 -0.57 0.00 0.00 0.01 0.00 0.00 72.50 72.07 1xck s THR 329 CO -0.06 0.04 -0.22 -0.89 -0.69 0.00 0.00 174.62 172.79 1xck s THR 330 N 1.22 1.96 -0.09 -0.82 2.01 -0.28 0.82 115.64 120.46 1xck s THR 330 Ca -0.08 -0.96 -0.01 0.00 0.31 0.00 0.00 61.69 60.96 1xck s THR 330 Cb -0.08 -1.70 0.03 0.00 0.01 0.00 0.00 72.50 70.75 1xck s THR 330 CO -0.10 0.54 -0.05 0.28 -0.69 0.00 0.00 174.62 174.60 1xck s THR 331 N 0.43 0.76 -0.27 -0.82 -1.32 0.04 -1.10 115.64 113.37 1xck s THR 331 Ca -0.17 -0.13 -0.18 0.00 -1.21 0.00 0.00 61.69 60.00 1xck s THR 331 Cb -0.17 -0.83 -0.03 0.00 -1.51 0.00 0.00 72.50 69.96 1xck s THR 331 CO 0.07 0.32 0.51 -0.63 -2.21 0.00 0.00 174.62 172.68 1xck s ILE 332 N 1.77 5.07 -0.28 5.08 1.01 0.31 -1.52 121.20 132.64 1xck s ILE 332 Ca 0.04 0.83 -0.06 0.00 0.00 0.00 0.00 60.65 61.46 1xck s ILE 332 Cb -0.13 -3.83 0.01 0.00 0.01 0.00 0.00 42.46 38.52 1xck s ILE 332 CO -0.07 0.07 0.06 -0.63 0.00 0.00 0.00 174.94 174.37 1xck s ILE 333 N 2.31 3.85 -0.29 2.92 1.01 0.13 -1.81 121.20 129.31 1xck s ILE 333 Ca 0.21 -0.66 -0.08 0.00 0.00 0.00 0.00 60.65 60.12 1xck s ILE 333 Cb -0.16 -2.95 0.01 0.00 0.01 0.00 0.00 42.46 39.38 1xck s ILE 333 CO 0.09 0.14 0.38 -0.67 0.00 0.00 0.00 174.94 174.89 1xck n ASP 334 N 4.85 -5.68 -4.86 3.58 2.03 -0.06 -2.05 116.55 114.36 1xck n ASP 334 Ca -0.15 0.28 -0.31 0.00 0.52 0.00 0.00 54.79 55.13 1xck n ASP 334 Cb 0.48 -3.72 0.03 0.00 -0.72 0.00 0.00 41.12 37.19 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 -2.09 1.65 0.09 0.27 0.00 -0.09 -1.50 107.32 105.66 1xck s GLY 335 Ca 0.13 -0.10 0.24 0.00 0.00 0.00 0.00 44.72 45.00 1xck s GLY 335 CO 0.47 0.21 1.28 -0.62 0.00 0.00 0.00 173.10 174.44 1xck n VAL 336 N -2.91 0.27 -1.45 1.40 0.31 -0.61 -4.79 118.33 110.55 1xck n VAL 336 Ca 0.07 -0.23 -0.49 0.00 -0.01 0.00 0.00 64.34 63.67 1xck n VAL 336 Cb 0.54 -0.02 -0.04 0.00 -0.91 0.00 0.00 33.84 33.42 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 1.36 -1.22 3.74 2.92 0.00 -0.75 -4.78 105.19 106.47 1xck n GLY 337 Ca 0.03 0.41 -0.41 0.00 0.00 0.00 0.00 46.02 46.05 1xck n GLY 337 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1xck s GLU 338 N -0.89 4.46 0.36 1.61 0.41 -1.26 -4.85 118.70 118.53 1xck s GLU 338 Ca 0.68 1.95 0.14 0.00 -0.41 0.00 0.00 54.97 57.33 1xck s GLU 338 Cb -0.94 -3.21 1.02 0.00 -1.78 0.00 0.00 34.13 29.21 1xck s GLU 338 CO 0.56 -0.14 1.73 0.93 -0.49 0.00 0.00 175.26 177.86 1xck h GLU 339 N 5.13 0.45 -0.19 1.61 5.08 -1.98 0.39 114.58 125.08 1xck h GLU 339 Ca -0.45 -0.03 0.05 0.00 -1.00 0.00 0.00 59.36 57.94 1xck h GLU 339 Cb 1.21 -0.10 -0.06 0.00 0.50 0.00 0.00 28.75 30.30 1xck h GLU 339 CO 0.75 0.30 -0.21 0.00 -1.00 0.00 0.00 179.01 178.84 1xck h ALA 340 N 1.70 -0.12 0.69 3.43 0.00 -1.98 0.34 119.26 123.31 1xck h ALA 340 Ca 0.65 0.06 -0.03 0.00 0.00 0.00 0.00 54.91 55.58 1xck h ALA 340 Cb 1.45 0.44 0.01 0.00 0.00 0.00 0.00 17.79 19.68 1xck h ALA 340 CO -0.42 -0.65 -0.33 0.00 0.00 0.00 0.00 179.25 177.85 1xck h ALA 341 N 0.79 -1.17 -0.71 0.00 0.00 -0.63 -2.21 119.26 115.33 1xck h ALA 341 Ca 0.12 -0.20 0.15 0.00 0.00 0.00 0.00 54.91 54.98 1xck h ALA 341 Cb 0.42 0.36 -0.11 0.00 0.00 0.00 0.00 17.79 18.46 1xck h ALA 341 CO -0.33 -1.10 0.16 0.82 0.00 0.00 0.00 179.25 178.80 1xck h ILE 342 N -0.99 0.52 0.00 0.00 2.04 -1.16 0.43 117.51 118.36 1xck h ILE 342 Ca -0.09 -0.09 -0.04 0.00 1.00 0.00 0.00 64.86 65.64 1xck h ILE 342 Cb 0.71 0.25 -0.01 0.00 -0.74 0.00 0.00 36.82 37.03 1xck h ILE 342 CO 0.16 0.05 -0.17 -0.61 0.00 0.00 0.00 178.15 177.57 1xck h GLN 343 N 0.25 0.00 0.00 2.37 5.75 -0.34 -1.70 115.11 121.44 1xck h GLN 343 Ca 0.40 0.00 -0.22 0.00 -0.15 0.00 0.00 58.65 58.68 1xck h GLN 343 Cb 0.67 0.00 -0.03 0.00 1.07 0.00 0.00 27.48 29.19 1xck h GLN 343 CO -0.50 0.17 -1.13 0.78 -2.65 0.00 0.00 178.83 175.50 1xck h GLY 344 N 1.92 0.00 0.77 2.39 0.00 -0.32 -2.10 103.07 105.72 1xck h GLY 344 Ca -0.00 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 47.29 1xck h GLY 344 CO 0.02 0.00 -0.04 -0.09 0.00 0.00 0.00 176.54 176.43 1xck h ARG 345 N 0.00 0.31 -0.84 4.80 9.65 -0.83 -1.01 114.38 126.47 1xck h ARG 345 Ca -0.07 -0.12 0.06 0.00 -1.10 0.00 0.00 59.98 58.74 1xck h ARG 345 Cb 1.79 -0.02 -0.06 0.00 -1.39 0.00 0.00 29.97 30.30 1xck h ARG 345 CO 0.11 0.60 0.52 0.28 2.80 0.00 0.00 179.97 184.28 1xck h VAL 346 N 0.01 1.05 -0.13 0.20 2.07 -1.33 -1.62 116.25 116.49 1xck h VAL 346 Ca 0.04 -0.33 0.04 0.00 0.82 0.00 0.00 66.70 67.27 1xck h VAL 346 Cb 0.48 0.01 -0.04 0.00 -1.52 0.00 0.00 31.29 30.22 1xck h VAL 346 CO 0.02 0.17 -0.11 0.00 0.02 0.00 0.00 177.57 177.67 1xck h ALA 347 N 1.39 -0.01 0.38 1.67 0.00 -0.96 0.97 119.26 122.70 1xck h ALA 347 Ca 0.36 0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.31 1xck h ALA 347 Cb 0.15 0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.16 1xck h ALA 347 CO -0.16 -0.56 -0.39 1.96 0.00 0.00 0.00 179.25 180.10 1xck h GLN 348 N -0.13 -0.74 -0.65 0.00 4.20 -0.36 -1.28 115.11 116.14 1xck h GLN 348 Ca 0.09 0.05 0.13 0.00 0.06 0.00 0.00 58.65 58.98 1xck h GLN 348 Cb 0.26 0.17 -0.10 0.00 0.30 0.00 0.00 27.48 28.11 1xck h GLN 348 CO -0.21 -0.49 0.14 0.82 -0.67 0.00 0.00 178.83 178.42 1xck h ILE 349 N -0.77 0.59 -0.94 2.54 2.04 -1.25 0.45 117.51 120.16 1xck h ILE 349 Ca -0.05 -0.09 0.08 0.00 1.00 0.00 0.00 64.86 65.80 1xck h ILE 349 Cb 0.67 0.30 -0.07 0.00 -0.74 0.00 0.00 36.82 36.98 1xck h ILE 349 CO -0.05 0.05 0.61 -0.09 0.00 0.00 0.00 178.15 178.67 1xck h ARG 350 N 0.26 1.00 -0.11 2.37 2.43 -0.57 -1.51 114.38 118.26 1xck h ARG 350 Ca 0.35 -0.06 -0.21 0.00 -0.81 0.00 0.00 59.98 59.25 1xck h ARG 350 Cb 0.55 -0.23 0.01 0.00 -0.42 0.00 0.00 29.97 29.88 1xck h ARG 350 CO -0.45 0.66 -0.80 0.37 -1.51 0.00 0.00 179.97 178.25 1xck h GLN 351 N 1.03 0.63 -0.08 0.20 4.15 0.22 -2.94 115.11 118.32 1xck h GLN 351 Ca 0.42 -0.54 0.02 0.00 0.77 0.00 0.00 58.65 59.33 1xck h GLN 351 Cb 0.28 0.12 -0.00 0.00 0.21 0.00 0.00 27.48 28.08 1xck h GLN 351 CO -0.18 1.16 0.09 1.96 -1.93 0.00 0.00 178.83 179.93 1xck h GLN 352 N 0.42 0.00 0.00 1.69 4.20 -0.10 0.37 115.11 121.69 1xck h GLN 352 Ca -0.05 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.66 1xck h GLN 352 Cb 1.41 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.19 1xck h GLN 352 CO 0.15 0.00 0.00 0.82 -0.67 0.00 0.00 178.83 179.13 1xck h ILE 353 N 0.00 0.00 0.04 2.54 2.04 -1.16 -0.78 117.51 120.19 1xck h ILE 353 Ca 0.04 -0.39 -0.00 0.00 1.00 0.00 0.00 64.86 65.51 1xck h ILE 353 Cb 0.22 1.34 0.00 0.00 -0.74 0.00 0.00 36.82 37.64 1xck h ILE 353 CO -0.00 0.00 -0.02 -0.33 0.00 0.00 0.00 178.15 177.80 1xck h GLU 354 N 0.00 -0.05 0.00 2.37 4.39 -0.37 -3.27 114.58 117.65 1xck h GLU 354 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1xck h GLU 354 Cb 0.41 0.01 0.00 0.00 -0.10 0.00 0.00 28.75 29.07 1xck h GLU 354 CO 0.00 0.17 0.00 0.39 -1.16 0.00 0.00 179.01 178.41 1xck n GLU 355 N -4.78 0.03 -1.66 2.33 1.02 -1.11 -4.76 120.64 111.70 1xck n GLU 355 Ca -0.03 0.47 -0.53 0.00 -0.02 0.00 0.00 57.16 57.06 1xck n GLU 355 Cb 0.12 -1.57 -0.06 0.00 -0.02 0.00 0.00 31.44 29.90 1xck n GLU 355 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1xck n ALA 356 N -1.55 0.44 -0.60 0.62 0.00 -0.32 -4.84 120.51 114.27 1xck n ALA 356 Ca 0.00 0.27 0.09 0.00 0.00 0.00 0.00 53.44 53.81 1xck n ALA 356 Cb 0.04 -2.39 0.34 0.00 0.00 0.00 0.00 19.45 17.44 1xck n ALA 356 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1xck n THR 357 N 5.27 1.76 -3.73 0.00 -2.24 -1.26 -4.91 114.28 109.18 1xck n THR 357 Ca 0.28 -1.22 -0.12 0.00 -2.27 0.00 0.00 64.05 60.71 1xck n THR 357 Cb 0.21 0.15 -0.12 0.00 -2.10 0.00 0.00 70.33 68.47 1xck n THR 357 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1xck s SER 358 N -1.00 -0.35 0.29 3.42 0.15 -1.26 -5.03 113.70 109.93 1xck s SER 358 Ca 0.48 0.65 0.01 0.00 0.70 0.00 0.00 55.95 57.79 1xck s SER 358 Cb 0.31 0.56 0.52 0.00 -1.71 0.00 0.00 66.02 65.71 1xck s SER 358 CO 0.23 -0.16 1.88 0.44 1.20 0.00 0.00 173.24 176.84 1xck h ASP 359 N 6.74 0.93 -0.20 5.45 3.32 -1.99 0.61 116.42 131.29 1xck h ASP 359 Ca -0.36 0.02 -0.01 0.00 0.02 0.00 0.00 57.03 56.70 1xck h ASP 359 Cb 1.17 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 40.54 1xck h ASP 359 CO 0.34 0.57 0.07 0.22 -1.72 0.00 0.00 179.24 178.72 1xck h TYR 360 N 1.04 0.31 -0.44 4.55 3.20 -2.00 -1.82 116.97 121.82 1xck h TYR 360 Ca 0.43 -0.03 -0.06 0.00 3.14 0.00 0.00 58.73 62.22 1xck h TYR 360 Cb 0.30 -0.09 -0.02 0.00 1.54 0.00 0.00 36.73 38.46 1xck h TYR 360 CO -0.00 0.37 0.02 -0.44 -1.64 0.00 0.00 178.16 176.47 1xck h ASP 361 N 0.16 0.65 -0.41 -2.11 5.19 -1.75 -2.15 116.42 116.01 1xck h ASP 361 Ca 0.07 -0.14 -0.05 0.00 -0.62 0.00 0.00 57.03 56.29 1xck h ASP 361 Cb 0.20 -0.17 -0.02 0.00 0.18 0.00 0.00 39.33 39.52 1xck h ASP 361 CO -0.00 0.71 0.05 -0.09 -3.12 0.00 0.00 179.24 176.78 1xck h ARG 362 N 0.66 0.68 -0.23 3.56 2.43 -0.72 -2.42 114.38 118.35 1xck h ARG 362 Ca 0.14 -0.19 -0.01 0.00 -0.81 0.00 0.00 59.98 59.10 1xck h ARG 362 Cb 0.37 -0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 29.84 1xck h ARG 362 CO 0.01 0.74 0.11 0.93 -1.51 0.00 0.00 179.97 180.25 1xck h GLU 363 N 0.53 0.33 -0.73 0.20 5.08 -1.10 -0.70 114.58 118.20 1xck h GLU 363 Ca 0.12 -0.05 0.06 0.00 -1.00 0.00 0.00 59.36 58.49 1xck h GLU 363 Cb 0.40 -0.06 -0.06 0.00 0.50 0.00 0.00 28.75 29.53 1xck h GLU 363 CO 0.01 0.35 0.43 0.87 -1.00 0.00 0.00 179.01 179.67 1xck h LYS 364 N 0.23 0.76 -0.50 2.33 1.79 -1.36 0.42 116.57 120.24 1xck h LYS 364 Ca 0.08 -0.05 -0.05 0.00 -2.18 0.00 0.00 60.65 58.46 1xck h LYS 364 Cb 0.13 -0.17 -0.02 0.00 -1.58 0.00 0.00 32.23 30.59 1xck h LYS 364 CO -0.01 0.50 0.14 -0.07 -1.08 0.00 0.00 179.45 178.93 1xck h LEU 365 N 0.78 0.75 -1.34 2.94 3.38 -1.19 -2.37 115.31 118.26 1xck h LEU 365 Ca 0.32 -0.22 0.03 0.00 0.09 0.00 0.00 57.88 58.11 1xck h LEU 365 Cb 0.18 -0.20 -0.04 0.00 0.09 0.00 0.00 40.66 40.69 1xck h LEU 365 CO -0.18 0.78 0.47 1.56 0.09 0.00 0.00 178.44 181.16 1xck h GLN 366 N 0.69 0.83 0.11 1.13 4.20 -0.10 -1.69 115.11 120.28 1xck h GLN 366 Ca 0.16 -0.05 0.00 0.00 0.06 0.00 0.00 58.65 58.82 1xck h GLN 366 Cb 0.31 -0.19 -0.01 0.00 0.30 0.00 0.00 27.48 27.89 1xck h GLN 366 CO -0.00 0.55 -0.11 0.93 -0.67 0.00 0.00 178.83 179.52 1xck h GLU 367 N 0.85 -0.24 -0.45 1.46 5.08 -0.46 -2.12 114.58 118.70 1xck h GLU 367 Ca 0.28 0.02 0.02 0.00 -1.00 0.00 0.00 59.36 58.68 1xck h GLU 367 Cb 0.07 0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.34 1xck h GLU 367 CO -0.08 -0.16 0.26 0.00 -1.00 0.00 0.00 179.01 178.03 1xck h ARG 368 N -0.25 0.51 -0.69 2.33 3.08 -0.92 -1.62 114.38 116.83 1xck h ARG 368 Ca 0.01 -0.03 -0.07 0.00 0.07 0.00 0.00 59.98 59.96 1xck h ARG 368 Cb 0.24 -0.12 -0.03 0.00 0.08 0.00 0.00 29.97 30.15 1xck h ARG 368 CO -0.03 0.34 0.16 -0.39 -1.07 0.00 0.00 179.97 178.98 1xck h VAL 369 N 0.53 1.26 -0.41 2.04 -1.51 -1.32 -1.92 116.25 114.93 1xck h VAL 369 Ca 0.18 -0.97 0.08 0.00 -1.23 0.00 0.00 66.70 64.76 1xck h VAL 369 Cb 0.03 0.57 -0.08 0.00 -2.13 0.00 0.00 31.29 29.68 1xck h VAL 369 CO -0.09 0.37 -0.10 0.00 -1.23 0.00 0.00 177.57 176.52 1xck h ALA 370 N 1.07 0.27 0.19 5.19 0.00 -0.94 0.55 119.26 125.59 1xck h ALA 370 Ca 0.21 0.16 -0.01 0.00 0.00 0.00 0.00 54.91 55.28 1xck h ALA 370 Cb 0.38 0.31 -0.00 0.00 0.00 0.00 0.00 17.79 18.48 1xck h ALA 370 CO 0.00 -0.45 -0.10 0.87 0.00 0.00 0.00 179.25 179.57 1xck h LYS 371 N -0.00 -0.26 0.86 0.00 1.57 -1.01 0.34 116.57 118.07 1xck h LYS 371 Ca 0.20 0.02 -0.04 0.00 -1.87 0.00 0.00 60.65 58.95 1xck h LYS 371 Cb 0.30 0.06 0.01 0.00 0.08 0.00 0.00 32.23 32.68 1xck h LYS 371 CO -0.42 -0.18 -0.41 1.25 -0.57 0.00 0.00 179.45 179.12 1xck h LEU 372 N -0.27 -0.98 -1.22 2.94 5.85 -0.66 -3.10 115.31 117.85 1xck h LEU 372 Ca -0.02 0.03 -0.08 0.00 0.84 0.00 0.00 57.88 58.65 1xck h LEU 372 Cb 0.22 0.25 -0.01 0.00 0.37 0.00 0.00 40.66 41.49 1xck h LEU 372 CO 0.03 -0.68 -0.34 0.00 -0.34 0.00 0.00 178.44 177.12 1xck h ALA 373 N -1.10 1.36 -0.19 1.25 0.00 0.02 -3.28 119.26 117.31 1xck h ALA 373 Ca -0.12 -0.33 0.01 0.00 0.00 0.00 0.00 54.91 54.48 1xck h ALA 373 Cb 0.89 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.60 1xck h ALA 373 CO 0.19 0.47 0.08 0.78 0.00 0.00 0.00 179.25 180.77 1xck h GLY 374 N 1.06 0.25 0.00 0.00 0.00 -0.27 -3.49 103.07 100.62 1xck h GLY 374 Ca 0.01 -0.06 0.00 0.00 0.00 0.00 0.00 47.33 47.28 1xck h GLY 374 CO 0.05 0.05 0.00 0.61 0.00 0.00 0.00 176.54 177.24 1xck n GLY 375 N -1.16 -1.61 2.99 4.60 0.00 -1.18 -4.92 105.19 103.91 1xck n GLY 375 Ca -0.03 -1.42 -0.13 0.00 0.00 0.00 0.00 46.02 44.44 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 -0.04 0.20 1.61 1.01 0.08 -4.53 120.40 118.73 1xck s VAL 376 Ca 0.00 0.13 -0.27 0.00 0.00 0.00 0.00 61.98 61.84 1xck s VAL 376 Cb 0.00 -0.28 -0.08 0.00 0.00 0.00 0.00 36.38 36.01 1xck s VAL 376 CO 0.00 0.05 0.84 0.00 0.00 0.00 0.00 175.10 176.00 1xck s ALA 377 N 0.96 3.40 -0.17 5.51 0.00 0.50 -1.11 121.76 130.85 1xck s ALA 377 Ca -0.07 0.47 0.00 0.00 0.00 0.00 0.00 51.96 52.36 1xck s ALA 377 Cb -0.09 -3.06 0.04 0.00 0.00 0.00 0.00 23.12 20.01 1xck s ALA 377 CO -0.05 0.26 -0.09 0.08 0.00 0.00 0.00 175.76 175.95 1xck s VAL 378 N -1.16 1.43 -0.26 0.00 1.01 0.14 -0.22 120.40 121.34 1xck s VAL 378 Ca 0.38 -0.77 -0.10 0.00 0.00 0.00 0.00 61.98 61.48 1xck s VAL 378 Cb -0.24 -1.50 -0.05 0.00 0.00 0.00 0.00 36.38 34.59 1xck s VAL 378 CO 0.29 0.23 0.16 -0.63 0.00 0.00 0.00 175.10 175.14 1xck s ILE 379 N 1.50 5.17 -0.27 2.22 1.01 0.48 -2.16 121.20 129.15 1xck s ILE 379 Ca 0.01 0.12 -0.07 0.00 0.00 0.00 0.00 60.65 60.71 1xck s ILE 379 Cb -0.15 -3.43 -0.01 0.00 0.01 0.00 0.00 42.46 38.88 1xck s ILE 379 CO -0.09 0.30 0.08 -0.54 0.00 0.00 0.00 174.94 174.69 1xck s LYS 380 N 1.45 3.35 -0.37 2.79 1.02 -0.21 -0.88 119.74 126.90 1xck s LYS 380 Ca 0.07 -0.68 -0.25 0.00 0.02 0.00 0.00 55.97 55.12 1xck s LYS 380 Cb -0.15 -3.35 0.01 0.00 -0.52 0.00 0.00 37.83 33.82 1xck s LYS 380 CO 0.07 -0.33 0.89 0.08 -0.92 0.00 0.00 175.35 175.14 1xck s VAL 381 N 1.55 4.63 0.44 3.17 1.01 -0.90 -1.84 120.40 128.46 1xck s VAL 381 Ca 0.04 1.11 -0.02 0.00 0.00 0.00 0.00 61.98 63.11 1xck s VAL 381 Cb -0.16 -4.30 -0.03 0.00 0.00 0.00 0.00 36.38 31.89 1xck s VAL 381 CO 0.03 -0.50 0.69 -0.83 0.00 0.00 0.00 175.10 174.48 1xck s GLY 382 N 1.86 1.46 0.00 4.51 0.00 -1.23 -1.48 107.32 112.44 1xck s GLY 382 Ca 0.36 -0.76 0.00 0.00 0.00 0.00 0.00 44.72 44.32 1xck s GLY 382 CO 0.18 -0.62 0.00 0.00 0.00 0.00 0.00 173.10 172.66 1xck n ALA 383 N -2.08 0.00 -2.00 3.20 0.00 -1.26 -4.32 120.51 114.04 1xck n ALA 383 Ca -0.01 0.00 -0.00 0.00 0.00 0.00 0.00 53.44 53.43 1xck n ALA 383 Cb 0.56 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 20.01 1xck n ALA 383 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1xck n ALA 384 N -0.22 -3.22 0.00 0.00 0.00 -1.26 -4.69 120.51 111.12 1xck n ALA 384 Ca 0.00 0.32 0.00 0.00 0.00 0.00 0.00 53.44 53.76 1xck n ALA 384 Cb 0.00 -0.63 0.00 0.00 0.00 0.00 0.00 19.45 18.82 1xck n ALA 384 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1xck n THR 385 N 0.35 0.00 -0.32 0.00 -2.24 -1.26 -4.75 114.28 106.06 1xck n THR 385 Ca -0.02 0.00 0.18 0.00 -2.27 0.00 0.00 64.05 61.93 1xck n THR 385 Cb 0.04 0.00 0.38 0.00 -2.10 0.00 0.00 70.33 68.64 1xck n THR 385 CO 0.00 0.00 0.00 -0.08 -0.57 0.00 0.00 175.07 174.42 1xck h GLU 386 N 0.00 0.31 0.44 -0.78 4.81 -1.99 -2.28 114.58 115.09 1xck h GLU 386 Ca 0.00 -0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 59.20 1xck h GLU 386 Cb 0.00 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.30 1xck h GLU 386 CO 0.00 0.20 -0.32 0.28 -0.73 0.00 0.00 179.01 178.44 1xck h VAL 387 N 0.31 0.34 -0.80 0.32 2.07 -1.99 0.17 116.25 116.67 1xck h VAL 387 Ca 0.64 0.00 0.06 0.00 0.82 0.00 0.00 66.70 68.21 1xck h VAL 387 Cb 1.34 0.34 -0.05 0.00 -1.52 0.00 0.00 31.29 31.40 1xck h VAL 387 CO -0.60 0.00 0.53 -0.33 0.02 0.00 0.00 177.57 177.18 1xck h GLU 388 N -0.75 0.88 0.09 1.57 5.08 -1.72 -0.60 114.58 119.13 1xck h GLU 388 Ca -0.04 -0.05 -0.00 0.00 -1.00 0.00 0.00 59.36 58.26 1xck h GLU 388 Cb 0.64 -0.20 0.00 0.00 0.50 0.00 0.00 28.75 29.69 1xck h GLU 388 CO 0.01 0.58 -0.04 1.98 -1.00 0.00 0.00 179.01 180.54 1xck h MET 389 N 0.90 -0.12 -0.45 2.33 4.05 -0.97 0.01 114.93 120.69 1xck h MET 389 Ca 0.34 0.01 -0.02 0.00 -0.28 0.00 0.00 59.70 59.74 1xck h MET 389 Cb 0.18 0.03 -0.02 0.00 -0.80 0.00 0.00 31.60 30.99 1xck h MET 389 CO -0.12 0.07 0.17 0.87 0.23 0.00 0.00 176.91 178.13 1xck h LYS 390 N -0.29 0.64 0.13 0.39 1.79 -0.21 -0.02 116.57 118.99 1xck h LYS 390 Ca -0.01 -0.09 -0.01 0.00 -2.18 0.00 0.00 60.65 58.36 1xck h LYS 390 Cb 0.24 -0.12 0.00 0.00 -1.58 0.00 0.00 32.23 30.78 1xck h LYS 390 CO 0.02 0.53 -0.06 1.49 -1.08 0.00 0.00 179.45 180.35 1xck h GLU 391 N 0.63 -0.16 -0.69 3.15 4.22 -0.90 -2.69 114.58 118.13 1xck h GLU 391 Ca 0.15 0.01 -0.01 0.00 0.08 0.00 0.00 59.36 59.59 1xck h GLU 391 Cb 0.14 0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.39 1xck h GLU 391 CO -0.01 0.19 0.38 -0.22 -2.18 0.00 0.00 179.01 177.17 1xck h LYS 392 N -0.55 0.96 -0.78 1.92 3.64 -0.84 -2.06 116.57 118.86 1xck h LYS 392 Ca -0.02 -0.11 0.13 0.00 -1.27 0.00 0.00 60.65 59.38 1xck h LYS 392 Cb 0.43 -0.19 -0.09 0.00 -0.41 0.00 0.00 32.23 31.98 1xck h LYS 392 CO 0.03 0.72 0.38 -0.22 -2.27 0.00 0.00 179.45 178.09 1xck h LYS 393 N 0.95 0.56 -0.34 1.90 3.64 -0.99 0.23 116.57 122.52 1xck h LYS 393 Ca 0.24 -0.03 -0.02 0.00 -1.27 0.00 0.00 60.65 59.57 1xck h LYS 393 Cb 0.03 -0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 31.71 1xck h LYS 393 CO -0.04 0.37 0.12 0.00 -2.27 0.00 0.00 179.45 177.63 1xck h ALA 394 N 1.52 0.44 -0.46 5.00 0.00 -1.06 -1.08 119.26 123.62 1xck h ALA 394 Ca 0.42 -0.15 -0.03 0.00 0.00 0.00 0.00 54.91 55.15 1xck h ALA 394 Cb 0.55 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.19 1xck h ALA 394 CO -0.34 0.06 0.16 0.00 0.00 0.00 0.00 179.25 179.13 1xck h ARG 395 N 0.40 0.67 -0.14 0.00 3.08 -0.55 -1.89 114.38 115.94 1xck h ARG 395 Ca 0.11 -0.10 -0.02 0.00 0.07 0.00 0.00 59.98 60.04 1xck h ARG 395 Cb 0.22 -0.12 -0.01 0.00 0.08 0.00 0.00 29.97 30.15 1xck h ARG 395 CO -0.01 0.57 0.01 0.28 -1.07 0.00 0.00 179.97 179.76 1xck h VAL 396 N 0.66 1.23 -0.63 2.04 2.07 -0.22 -1.05 116.25 120.35 1xck h VAL 396 Ca 0.16 -0.75 0.07 0.00 0.82 0.00 0.00 66.70 66.99 1xck h VAL 396 Cb 0.18 1.47 -0.06 0.00 -1.52 0.00 0.00 31.29 31.36 1xck h VAL 396 CO -0.01 0.22 0.31 -0.33 0.02 0.00 0.00 177.57 177.78 1xck h GLU 397 N -0.01 0.55 0.69 1.57 5.08 -0.91 0.89 114.58 122.44 1xck h GLU 397 Ca 0.04 -0.03 -0.03 0.00 -1.00 0.00 0.00 59.36 58.33 1xck h GLU 397 Cb 0.33 -0.13 0.01 0.00 0.50 0.00 0.00 28.75 29.46 1xck h GLU 397 CO 0.00 0.37 -0.33 -0.44 -1.00 0.00 0.00 179.01 177.61 1xck h ASP 398 N 0.57 -0.78 -0.96 1.42 3.32 -1.25 -2.33 116.42 116.41 1xck h ASP 398 Ca 0.29 -0.00 0.20 0.00 0.02 0.00 0.00 57.03 57.53 1xck h ASP 398 Cb 0.25 0.20 -0.09 0.00 0.22 0.00 0.00 39.33 39.91 1xck h ASP 398 CO -0.22 -0.45 0.61 0.00 -1.72 0.00 0.00 179.24 177.46 1xck h ALA 399 N -0.95 1.95 -0.17 3.45 0.00 -1.04 0.17 119.26 122.68 1xck h ALA 399 Ca -0.09 0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.86 1xck h ALA 399 Cb 0.74 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.47 1xck h ALA 399 CO 0.16 -0.28 0.09 1.25 0.00 0.00 0.00 179.25 180.47 1xck h LEU 400 N 0.59 0.21 -0.86 0.00 5.85 -0.67 0.61 115.31 121.02 1xck h LEU 400 Ca 0.52 -0.09 -0.04 0.00 0.84 0.00 0.00 57.88 59.11 1xck h LEU 400 Cb 1.04 -0.05 -0.03 0.00 0.37 0.00 0.00 40.66 41.98 1xck h LEU 400 CO -0.27 0.23 0.31 -0.74 -0.34 0.00 0.00 178.44 177.64 1xck h HIS 401 N 0.17 1.16 0.04 1.25 2.76 -0.49 -0.21 115.15 119.83 1xck h HIS 401 Ca 0.06 -0.08 -0.00 0.00 -2.20 0.00 0.00 60.37 58.15 1xck h HIS 401 Cb 0.07 -0.35 0.00 0.00 1.55 0.00 0.00 27.41 28.68 1xck h HIS 401 CO -0.04 0.88 -0.02 0.00 -1.30 0.00 0.00 177.93 177.45 1xck h ALA 402 N 1.22 -0.05 -0.44 5.26 0.00 -0.80 -2.76 119.26 121.69 1xck h ALA 402 Ca 0.26 -0.13 -0.03 0.00 0.00 0.00 0.00 54.91 55.00 1xck h ALA 402 Cb 0.20 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 1xck h ALA 402 CO -0.02 -0.40 0.14 1.15 0.00 0.00 0.00 179.25 180.12 1xck h THR 403 N -0.31 1.18 -0.20 0.00 2.02 -0.72 -0.18 112.91 114.70 1xck h THR 403 Ca -0.00 -0.61 0.03 0.00 0.77 0.00 0.00 66.41 66.59 1xck h THR 403 Cb 0.28 0.70 -0.03 0.00 -1.74 0.00 0.00 68.15 67.37 1xck h THR 403 CO 0.01 0.23 0.01 -0.09 0.37 0.00 0.00 175.52 176.05 1xck h ARG 404 N 0.63 0.08 -0.44 6.66 1.12 -0.95 -0.05 114.38 121.44 1xck h ARG 404 Ca 0.15 -0.00 -0.10 0.00 -1.11 0.00 0.00 59.98 58.92 1xck h ARG 404 Cb 0.19 -0.02 -0.02 0.00 -0.01 0.00 0.00 29.97 30.11 1xck h ARG 404 CO -0.01 0.05 -0.12 0.00 -3.11 0.00 0.00 179.97 176.78 1xck h ALA 405 N 1.16 0.96 -0.38 2.80 0.00 -1.11 -2.60 119.26 120.09 1xck h ALA 405 Ca 0.09 -0.33 -0.03 0.00 0.00 0.00 0.00 54.91 54.64 1xck h ALA 405 Cb 0.10 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 1xck h ALA 405 CO -0.14 0.61 0.11 0.00 0.00 0.00 0.00 179.25 179.83 1xck h ALA 406 N 1.14 0.50 -0.14 0.00 0.00 -0.58 -1.85 119.26 118.34 1xck h ALA 406 Ca 0.12 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 1xck h ALA 406 Cb 0.61 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 1xck h ALA 406 CO 0.04 0.15 0.04 0.28 0.00 0.00 0.00 179.25 179.76 1xck h VAL 407 N 0.47 1.07 0.06 0.00 2.07 -0.88 0.53 116.25 119.57 1xck h VAL 407 Ca 0.12 -0.21 -0.00 0.00 0.82 0.00 0.00 66.70 67.43 1xck h VAL 407 Cb 0.26 0.91 0.00 0.00 -1.52 0.00 0.00 31.29 30.95 1xck h VAL 407 CO -0.00 0.08 -0.03 -0.33 0.02 0.00 0.00 177.57 177.31 1xck h GLU 408 N 0.19 -0.07 0.00 1.57 5.08 -1.06 -3.41 114.58 116.88 1xck h GLU 408 Ca 0.05 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.41 1xck h GLU 408 Cb 0.06 0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.33 1xck h GLU 408 CO -0.00 0.53 -0.08 0.39 -1.00 0.00 0.00 179.01 178.85 1xck n GLU 409 N -4.80 1.49 -0.01 2.33 1.02 -0.73 -5.10 120.64 114.85 1xck n GLU 409 Ca -0.08 -1.65 0.00 0.00 -0.02 0.00 0.00 57.16 55.41 1xck n GLU 409 Cb 0.31 -1.02 -0.00 0.00 -0.02 0.00 0.00 31.44 30.71 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 -0.68 -1.99 3.25 0.62 0.00 0.19 -4.41 105.19 102.16 1xck n GLY 410 Ca 0.06 -1.39 -0.19 0.00 0.00 0.00 0.00 46.02 44.50 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 -0.04 1.40 0.23 1.61 -7.23 0.16 -0.81 120.40 115.72 1xck s VAL 411 Ca 0.00 -1.70 0.01 0.00 -1.81 0.00 0.00 61.98 58.48 1xck s VAL 411 Cb 0.00 -1.54 -0.05 0.00 0.56 0.00 0.00 36.38 35.35 1xck s VAL 411 CO 0.00 -0.36 0.08 0.68 -0.31 0.00 0.00 175.10 175.18 1xck s VAL 412 N -1.99 0.52 0.28 1.32 -7.23 -0.51 -0.42 120.40 112.38 1xck s VAL 412 Ca 0.09 -1.99 -0.30 0.00 -1.81 0.00 0.00 61.98 57.96 1xck s VAL 412 Cb -0.06 -2.49 -0.12 0.00 0.56 0.00 0.00 36.38 34.27 1xck s VAL 412 CO 0.03 -0.12 1.54 0.00 -0.31 0.00 0.00 175.10 176.25 1xck n ALA 413 N -0.39 2.18 -1.62 1.32 0.00 -1.26 -1.32 120.51 119.42 1xck n ALA 413 Ca -0.01 0.38 0.00 0.00 0.00 0.00 0.00 53.44 53.81 1xck n ALA 413 Cb 0.65 -2.41 0.00 0.00 0.00 0.00 0.00 19.45 17.69 1xck n ALA 413 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1xck n GLY 414 N 2.10 1.16 2.51 0.00 0.00 0.38 -2.96 105.19 108.38 1xck n GLY 414 Ca 0.09 -1.82 -0.21 0.00 0.00 0.00 0.00 46.02 44.08 1xck n GLY 414 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xck n GLY 415 N 5.00 0.91 3.12 -0.02 0.00 -1.26 -1.74 105.19 111.19 1xck n GLY 415 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1xck n GLY 415 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xck n GLY 416 N -0.65 0.76 0.11 -0.02 0.00 -1.26 -4.43 105.19 99.69 1xck n GLY 416 Ca -0.22 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.71 1xck n GLY 416 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 1xck h VAL 417 N 0.00 1.54 -0.28 1.61 -1.51 -1.54 -3.05 116.25 113.02 1xck h VAL 417 Ca 0.00 -2.80 0.04 0.00 -1.23 0.00 0.00 66.70 62.71 1xck h VAL 417 Cb 0.02 2.58 -0.04 0.00 -2.13 0.00 0.00 31.29 31.72 1xck h VAL 417 CO 0.00 0.81 0.04 0.00 -1.23 0.00 0.00 177.57 177.19 1xck h ALA 418 N 0.95 0.28 -0.96 5.19 0.00 -1.72 0.34 119.26 123.35 1xck h ALA 418 Ca -0.05 0.06 0.02 0.00 0.00 0.00 0.00 54.91 54.94 1xck h ALA 418 Cb 1.59 0.09 -0.05 0.00 0.00 0.00 0.00 17.79 19.42 1xck h ALA 418 CO 0.14 -0.38 0.63 -0.07 0.00 0.00 0.00 179.25 179.57 1xck h LEU 419 N 0.13 1.08 -0.50 0.00 3.38 -1.85 0.62 115.31 118.17 1xck h LEU 419 Ca 0.13 -0.02 -0.17 0.00 0.09 0.00 0.00 57.88 57.91 1xck h LEU 419 Cb 0.15 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.63 1xck h LEU 419 CO -0.19 0.77 -0.69 -0.29 0.09 0.00 0.00 178.44 178.13 1xck h ILE 420 N 1.27 1.40 0.27 1.22 2.10 -1.29 -1.89 117.51 120.59 1xck h ILE 420 Ca 0.36 -2.14 -0.01 0.00 1.08 0.00 0.00 64.86 64.15 1xck h ILE 420 Cb -0.11 2.11 0.00 0.00 -1.09 0.00 0.00 36.82 37.73 1xck h ILE 420 CO -0.09 0.63 -0.13 -0.09 -1.08 0.00 0.00 178.15 177.40 1xck h ARG 421 N 0.21 -0.35 -0.85 2.19 9.65 0.31 -1.76 114.38 123.78 1xck h ARG 421 Ca -0.02 0.02 0.05 0.00 -1.10 0.00 0.00 59.98 58.93 1xck h ARG 421 Cb 1.24 0.08 -0.05 0.00 -1.39 0.00 0.00 29.97 29.85 1xck h ARG 421 CO 0.11 -0.10 0.56 0.28 2.80 0.00 0.00 179.97 183.62 1xck h VAL 422 N -0.55 1.09 -0.46 0.20 2.07 -0.90 -2.28 116.25 115.42 1xck h VAL 422 Ca -0.04 -0.34 -0.10 0.00 0.82 0.00 0.00 66.70 67.04 1xck h VAL 422 Cb 0.41 0.01 -0.01 0.00 -1.52 0.00 0.00 31.29 30.17 1xck h VAL 422 CO 0.06 0.18 -0.09 0.00 0.02 0.00 0.00 177.57 177.75 1xck h ALA 423 N 1.52 0.63 0.00 1.67 0.00 -1.21 -2.77 119.26 119.09 1xck h ALA 423 Ca 0.35 -0.32 -0.00 0.00 0.00 0.00 0.00 54.91 54.94 1xck h ALA 423 Cb 0.13 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 17.76 1xck h ALA 423 CO -0.12 0.50 -0.01 0.66 0.00 0.00 0.00 179.25 180.28 1xck h SER 424 N 0.70 0.00 1.08 0.00 4.64 -0.74 -1.57 113.55 117.66 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 0.62 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.71 1xck h SER 424 CO 0.04 0.01 -0.18 0.29 -0.87 0.00 0.00 176.83 176.13 1xck n LYS 425 N -3.57 0.15 -0.81 4.77 5.02 -1.05 -3.94 118.16 118.74 1xck n LYS 425 Ca -0.03 0.09 0.00 0.00 -2.02 0.00 0.00 58.31 56.35 1xck n LYS 425 Cb 0.10 -1.64 0.29 0.00 -0.02 0.00 0.00 35.03 33.76 1xck n LYS 425 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1xck n LEU 426 N -1.88 5.13 -0.28 -0.35 4.77 -0.59 -4.71 117.00 119.09 1xck n LEU 426 Ca 0.06 -3.21 0.08 0.00 -0.03 0.00 0.00 56.01 52.90 1xck n LEU 426 Cb 0.39 -0.66 0.31 0.00 -2.33 0.00 0.00 43.42 41.12 1xck n LEU 426 CO 0.31 0.81 1.23 0.00 -1.33 0.00 0.00 177.39 178.41 1xck h ALA 427 N 2.31 1.66 -0.01 -1.18 0.00 -1.68 -1.86 119.26 118.49 1xck h ALA 427 Ca 0.15 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.06 1xck h ALA 427 Cb 1.94 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 19.53 1xck h ALA 427 CO 0.51 0.16 -0.05 -0.25 0.00 0.00 0.00 179.25 179.62 1xck n ASP 428 N -4.53 1.08 -4.71 0.00 8.00 -1.26 -4.91 116.55 110.22 1xck n ASP 428 Ca 0.15 -1.23 -0.42 0.00 0.71 0.00 0.00 54.79 54.00 1xck n ASP 428 Cb 0.32 0.01 -0.03 0.00 -0.02 0.00 0.00 41.12 41.40 1xck n ASP 428 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 1xck s LEU 429 N -2.13 4.37 0.19 0.64 2.96 -0.70 -4.99 118.68 119.03 1xck s LEU 429 Ca 0.36 2.76 0.03 0.00 -0.22 0.00 0.00 54.13 57.06 1xck s LEU 429 Cb 0.21 -3.59 -0.05 0.00 0.50 0.00 0.00 46.19 43.26 1xck s LEU 429 CO 0.38 -0.94 -0.01 -0.13 -1.32 0.00 0.00 176.35 174.34 1xck s ARG 430 N 1.54 1.19 0.00 1.98 1.81 -1.26 -4.96 118.95 119.24 1xck s ARG 430 Ca 0.75 -1.58 0.00 0.00 -1.72 0.00 0.00 55.73 53.18 1xck s ARG 430 Cb -0.47 -0.44 0.00 0.00 -0.45 0.00 0.00 34.95 33.59 1xck s ARG 430 CO 0.33 -0.09 0.00 0.41 -0.68 0.00 0.00 175.30 175.26 1xck n GLY 431 N -0.30 5.35 0.02 -3.53 0.00 -1.26 -5.02 105.19 100.45 1xck n GLY 431 Ca -0.06 -1.94 0.12 0.00 0.00 0.00 0.00 46.02 44.14 1xck n GLY 431 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1xck n GLN 432 N 0.00 0.08 -3.85 1.61 6.02 -1.26 -4.91 117.38 115.07 1xck n GLN 432 Ca 0.00 0.03 -0.07 0.00 -0.01 0.00 0.00 57.00 56.95 1xck n GLN 432 Cb 0.00 -1.56 -0.02 0.00 1.02 0.00 0.00 30.24 29.68 1xck n GLN 432 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 1xck s ASN 433 N -3.36 -0.25 0.50 1.08 2.20 -1.26 -5.03 114.94 108.82 1xck s ASN 433 Ca 0.10 -0.60 0.16 0.00 -0.94 0.00 0.00 52.86 51.58 1xck s ASN 433 Cb 0.17 0.71 1.21 0.00 -2.00 0.00 0.00 41.25 41.34 1xck s ASN 433 CO 0.66 -1.32 2.10 -0.08 -2.94 0.00 0.00 177.10 175.52 1xck h GLU 434 N 2.00 0.11 -0.35 3.55 4.57 -1.99 -1.11 114.58 121.36 1xck h GLU 434 Ca -0.19 -0.01 -0.06 0.00 -1.18 0.00 0.00 59.36 57.92 1xck h GLU 434 Cb 1.25 -0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 29.80 1xck h GLU 434 CO 0.23 0.07 -0.01 -0.44 -1.18 0.00 0.00 179.01 177.69 1xck h ASP 435 N 0.11 0.61 0.29 1.04 3.32 -1.96 -1.40 116.42 118.43 1xck h ASP 435 Ca 0.08 -0.31 -0.08 0.00 0.02 0.00 0.00 57.03 56.74 1xck h ASP 435 Cb 0.18 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 39.56 1xck h ASP 435 CO -0.01 0.77 -0.34 1.56 -1.72 0.00 0.00 179.24 179.50 1xck h GLN 436 N 0.43 0.08 -0.36 3.56 4.20 -1.44 -1.45 115.11 120.14 1xck h GLN 436 Ca 0.10 -0.03 -0.10 0.00 0.06 0.00 0.00 58.65 58.68 1xck h GLN 436 Cb 0.46 -0.01 -0.02 0.00 0.30 0.00 0.00 27.48 28.22 1xck h GLN 436 CO 0.02 0.42 -0.20 -0.91 -0.67 0.00 0.00 178.83 177.50 1xck h ASN 437 N 0.08 0.67 -0.35 1.46 2.35 -0.88 -0.56 115.58 118.34 1xck h ASN 437 Ca 0.01 -0.22 -0.14 0.00 -0.55 0.00 0.00 56.30 55.40 1xck h ASN 437 Cb 0.65 -0.18 -0.01 0.00 0.05 0.00 0.00 38.32 38.83 1xck h ASN 437 CO 0.05 0.87 -0.31 0.58 -1.65 0.00 0.00 177.43 176.97 1xck h VAL 438 N 0.60 1.28 -0.92 2.81 2.07 -0.87 -1.74 116.25 119.49 1xck h VAL 438 Ca 0.09 -1.48 0.07 0.00 0.82 0.00 0.00 66.70 66.21 1xck h VAL 438 Cb 0.66 1.44 -0.07 0.00 -1.52 0.00 0.00 31.29 31.80 1xck h VAL 438 CO 0.05 0.49 0.57 1.23 0.02 0.00 0.00 177.57 179.93 1xck h GLY 439 N 0.62 1.41 0.90 2.17 0.00 -0.83 0.27 103.07 107.61 1xck h GLY 439 Ca 0.06 -0.41 -0.03 0.00 0.00 0.00 0.00 47.33 46.96 1xck h GLY 439 CO 0.08 0.26 0.09 -2.22 0.00 0.00 0.00 176.54 174.75 1xck h ILE 440 N 1.01 1.21 -0.40 2.60 2.04 -0.81 -2.19 117.51 120.97 1xck h ILE 440 Ca 0.41 -0.67 -0.07 0.00 1.00 0.00 0.00 64.86 65.53 1xck h ILE 440 Cb 0.23 1.06 -0.02 0.00 -0.74 0.00 0.00 36.82 37.35 1xck h ILE 440 CO -0.19 0.23 -0.04 0.11 0.00 0.00 0.00 178.15 178.25 1xck h LYS 441 N 0.34 0.66 -0.57 2.37 1.79 -0.41 -0.73 116.57 120.03 1xck h LYS 441 Ca 0.10 -0.18 0.03 0.00 -2.18 0.00 0.00 60.65 58.42 1xck h LYS 441 Cb 0.25 -0.08 -0.04 0.00 -1.58 0.00 0.00 32.23 30.79 1xck h LYS 441 CO -0.00 0.71 0.33 0.28 -1.08 0.00 0.00 179.45 179.69 1xck h VAL 442 N 0.62 1.04 -0.26 0.50 2.07 -0.17 -0.14 116.25 119.92 1xck h VAL 442 Ca 0.12 -0.23 -0.06 0.00 0.82 0.00 0.00 66.70 67.36 1xck h VAL 442 Cb 0.44 0.33 -0.01 0.00 -1.52 0.00 0.00 31.29 30.53 1xck h VAL 442 CO 0.02 0.12 -0.05 0.00 0.02 0.00 0.00 177.57 177.68 1xck h ALA 443 N 1.26 0.36 -0.86 1.67 0.00 -0.95 -1.50 119.26 119.24 1xck h ALA 443 Ca 0.23 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1xck h ALA 443 Cb 0.05 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 17.70 1xck h ALA 443 CO -0.11 0.16 0.54 -0.07 0.00 0.00 0.00 179.25 179.76 1xck h LEU 444 N 0.25 1.01 -0.17 0.00 3.38 -0.84 -1.89 115.31 117.05 1xck h LEU 444 Ca 0.07 -0.05 -0.01 0.00 0.09 0.00 0.00 57.88 57.97 1xck h LEU 444 Cb 0.52 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 41.00 1xck h LEU 444 CO 0.02 0.76 0.05 0.03 0.09 0.00 0.00 178.44 179.39 1xck h ARG 445 N 1.17 0.27 -0.61 1.13 3.08 -0.96 -2.84 114.38 115.62 1xck h ARG 445 Ca 0.31 -0.06 0.13 0.00 0.07 0.00 0.00 59.98 60.43 1xck h ARG 445 Cb -0.08 -0.04 -0.03 0.00 0.08 0.00 0.00 29.97 29.90 1xck h ARG 445 CO -0.06 0.40 0.41 0.00 -1.07 0.00 0.00 179.97 179.65 1xck h ALA 446 N 0.86 2.19 0.00 0.04 0.00 -0.85 -0.34 119.26 121.17 1xck h ALA 446 Ca 0.05 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1xck h ALA 446 Cb 0.24 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.00 1xck h ALA 446 CO -0.00 -0.35 0.00 -1.33 0.00 0.00 0.00 179.25 177.57 1xck n MET 447 N -4.45 0.01 0.01 0.00 2.81 -0.75 -0.75 117.12 114.01 1xck n MET 447 Ca 0.11 0.42 0.11 0.00 -1.81 0.00 0.00 57.70 56.53 1xck n MET 447 Cb 0.48 -1.53 0.10 0.00 -0.71 0.00 0.00 33.22 31.57 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 -1.55 0.12 0.03 0.03 1.02 -0.14 -3.83 120.64 116.32 1xck n GLU 448 Ca 0.01 0.00 -0.14 0.00 -0.02 0.00 0.00 57.16 57.02 1xck n GLU 448 Cb 0.06 -1.54 -0.07 0.00 -0.02 0.00 0.00 31.44 29.86 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 2.81 -0.71 -0.08 0.62 0.00 -1.05 -1.53 119.26 119.32 1xck h ALA 449 Ca 0.00 -0.04 0.03 0.00 0.00 0.00 0.00 54.91 54.90 1xck h ALA 449 Cb 0.59 0.83 -0.06 0.00 0.00 0.00 0.00 17.79 19.15 1xck h ALA 449 CO 0.00 -0.99 -0.48 -1.35 0.00 0.00 0.00 179.25 176.43 1xck h PRO 450 N -0.56 -0.56 -0.11 0.00 0.11 -1.78 0.98 132.00 130.07 1xck h PRO 450 Ca 0.05 0.04 0.03 0.00 0.11 0.00 0.00 66.00 66.23 1xck h PRO 450 Cb 0.66 0.13 -0.03 0.00 0.11 0.00 0.00 31.00 31.87 1xck h PRO 450 CO -0.37 -0.37 -0.07 1.25 -0.21 0.00 0.00 178.00 178.23 1xck h LEU 451 N -0.58 -0.22 -0.72 2.35 6.46 -1.73 -0.90 115.31 119.98 1xck h LEU 451 Ca 0.05 0.05 0.10 0.00 -0.12 0.00 0.00 57.88 57.95 1xck h LEU 451 Cb 0.67 0.12 -0.07 0.00 -0.73 0.00 0.00 40.66 40.65 1xck h LEU 451 CO -0.39 -0.09 0.35 0.03 -0.62 0.00 0.00 178.44 177.72 1xck h ARG 452 N -0.07 0.57 -0.36 1.25 3.08 -0.98 0.84 114.38 118.71 1xck h ARG 452 Ca 0.07 -0.03 -0.01 0.00 0.07 0.00 0.00 59.98 60.07 1xck h ARG 452 Cb 0.16 -0.13 -0.02 0.00 0.08 0.00 0.00 29.97 30.07 1xck h ARG 452 CO -0.15 0.38 0.17 0.37 -1.07 0.00 0.00 179.97 179.66 1xck h GLN 453 N 0.59 0.52 0.14 0.04 5.75 -0.25 0.77 115.11 122.68 1xck h GLN 453 Ca 0.36 -0.08 0.01 0.00 -0.15 0.00 0.00 58.65 58.79 1xck h GLN 453 Cb 0.39 -0.09 -0.03 0.00 1.07 0.00 0.00 27.48 28.83 1xck h GLN 453 CO -0.28 0.48 -0.23 0.82 -2.65 0.00 0.00 178.83 176.96 1xck h ILE 454 N 0.44 0.49 -0.99 2.39 2.04 -0.29 0.96 117.51 122.55 1xck h ILE 454 Ca 0.12 0.00 0.09 0.00 1.00 0.00 0.00 64.86 66.07 1xck h ILE 454 Cb 0.13 0.49 -0.07 0.00 -0.74 0.00 0.00 36.82 36.63 1xck h ILE 454 CO -0.01 0.00 0.63 0.58 0.00 0.00 0.00 178.15 179.35 1xck h VAL 455 N -0.45 1.01 -0.29 1.67 2.07 -0.67 -1.63 116.25 117.97 1xck h VAL 455 Ca 0.02 -0.37 -0.01 0.00 0.82 0.00 0.00 66.70 67.16 1xck h VAL 455 Cb 0.45 -0.15 -0.01 0.00 -1.52 0.00 0.00 31.29 30.06 1xck h VAL 455 CO -0.11 0.19 0.14 0.25 0.02 0.00 0.00 177.57 178.07 1xck h LEU 456 N 1.07 0.38 -2.44 2.57 5.85 -0.06 -1.56 115.31 121.12 1xck h LEU 456 Ca 0.45 -0.12 -0.01 0.00 0.84 0.00 0.00 57.88 59.05 1xck h LEU 456 Cb 0.32 -0.10 -0.00 0.00 0.37 0.00 0.00 40.66 41.25 1xck h LEU 456 CO -0.21 0.39 -0.03 0.78 -0.34 0.00 0.00 178.44 179.04 1xck h ASN 457 N 0.34 0.00 0.69 1.25 2.35 0.07 0.12 115.58 120.40 1xck h ASN 457 Ca 0.10 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.85 1xck h ASN 457 Cb 0.11 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.48 1xck h ASN 457 CO -0.01 0.03 -0.18 0.00 -1.65 0.00 0.00 177.43 175.62 1xck n GLY 459 N 1.44 0.45 3.81 0.00 0.00 0.03 -5.06 105.19 105.86 1xck n GLY 459 Ca 0.08 -0.95 -0.22 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 -2.56 2.45 -0.51 1.61 0.41 -0.80 -5.04 118.70 114.27 1xck s GLU 460 Ca 0.00 -1.59 -0.28 0.00 -0.41 0.00 0.00 54.97 52.69 1xck s GLU 460 Cb 0.00 -2.25 0.03 0.00 -1.78 0.00 0.00 34.13 30.13 1xck s GLU 460 CO 0.00 -0.08 1.10 -1.21 -0.49 0.00 0.00 175.26 174.58 1xck s GLU 461 N -4.00 3.60 0.17 1.61 2.02 -1.26 -4.27 118.70 116.56 1xck s GLU 461 Ca 0.43 0.34 -0.20 0.00 0.02 0.00 0.00 54.97 55.57 1xck s GLU 461 Cb -0.02 -3.95 0.09 0.00 0.10 0.00 0.00 34.13 30.35 1xck s GLU 461 CO 0.25 -1.45 1.63 -1.35 0.02 0.00 0.00 175.26 174.36 1xck h PRO 462 N 9.30 -0.16 -0.38 0.39 0.11 -1.87 -1.79 132.00 137.60 1xck h PRO 462 Ca -0.24 0.01 0.04 0.00 0.11 0.00 0.00 66.00 65.93 1xck h PRO 462 Cb 1.06 0.04 -0.02 0.00 0.11 0.00 0.00 31.00 32.19 1xck h PRO 462 CO 1.13 -0.11 0.26 0.66 -0.21 0.00 0.00 178.00 179.72 1xck h SER 463 N -0.17 0.29 0.10 -2.05 4.64 -1.94 0.34 113.55 114.76 1xck h SER 463 Ca 0.19 -0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.50 1xck h SER 463 Cb 0.46 -0.06 0.00 0.00 -0.31 0.00 0.00 62.40 62.48 1xck h SER 463 CO -0.48 0.19 -0.05 0.58 -0.87 0.00 0.00 176.83 176.20 1xck h VAL 464 N 0.33 1.10 -0.16 0.95 2.07 -1.75 -1.26 116.25 117.53 1xck h VAL 464 Ca 0.16 -1.26 0.01 0.00 0.82 0.00 0.00 66.70 66.44 1xck h VAL 464 Cb 0.23 1.84 -0.02 0.00 -1.52 0.00 0.00 31.29 31.82 1xck h VAL 464 CO -0.04 0.28 0.07 0.58 0.02 0.00 0.00 177.57 178.48 1xck h VAL 465 N -0.77 0.98 -0.38 2.57 2.07 -1.18 -0.95 116.25 118.60 1xck h VAL 465 Ca -0.01 -0.05 0.07 0.00 0.82 0.00 0.00 66.70 67.53 1xck h VAL 465 Cb 0.57 0.81 -0.07 0.00 -1.52 0.00 0.00 31.29 31.08 1xck h VAL 465 CO 0.02 0.03 -0.07 0.00 0.02 0.00 0.00 177.57 177.57 1xck h ALA 466 N 1.09 0.28 -0.50 1.67 0.00 -0.39 -0.68 119.26 120.73 1xck h ALA 466 Ca 0.07 0.14 0.05 0.00 0.00 0.00 0.00 54.91 55.16 1xck h ALA 466 Cb 0.03 0.26 -0.04 0.00 0.00 0.00 0.00 17.79 18.03 1xck h ALA 466 CO -0.06 -0.44 0.25 -0.97 0.00 0.00 0.00 179.25 178.02 1xck h ASN 467 N 0.03 0.35 0.14 0.00 -1.24 -0.79 -1.45 115.58 112.61 1xck h ASN 467 Ca 0.18 0.03 -0.01 0.00 0.71 0.00 0.00 56.30 57.22 1xck h ASN 467 Cb 0.27 -0.03 0.00 0.00 0.73 0.00 0.00 38.32 39.29 1xck h ASN 467 CO -0.37 0.24 -0.07 0.74 -1.29 0.00 0.00 177.43 176.68 1xck h THR 468 N 0.48 0.94 -0.90 -3.57 2.02 -0.54 -2.56 112.91 108.77 1xck h THR 468 Ca 0.22 -0.33 0.11 0.00 0.77 0.00 0.00 66.41 67.18 1xck h THR 468 Cb 0.14 1.15 -0.08 0.00 -1.74 0.00 0.00 68.15 67.62 1xck h THR 468 CO -0.16 0.08 0.54 0.58 0.37 0.00 0.00 175.52 176.92 1xck h VAL 469 N -0.35 0.91 -0.83 3.16 2.07 -0.97 0.31 116.25 120.56 1xck h VAL 469 Ca -0.02 -0.30 0.00 0.00 0.82 0.00 0.00 66.70 67.21 1xck h VAL 469 Cb 0.28 -0.04 -0.04 0.00 -1.52 0.00 0.00 31.29 29.96 1xck h VAL 469 CO 0.03 0.16 0.54 0.11 0.02 0.00 0.00 177.57 178.43 1xck h LYS 470 N 0.87 1.10 0.00 1.57 1.57 -1.13 -1.99 116.57 118.57 1xck h LYS 470 Ca 0.44 -0.07 -0.00 0.00 -1.87 0.00 0.00 60.65 59.14 1xck h LYS 470 Cb 0.42 -0.24 -0.00 0.00 0.08 0.00 0.00 32.23 32.48 1xck h LYS 470 CO -0.26 0.74 -0.01 0.78 -0.57 0.00 0.00 179.45 180.13 1xck h GLY 471 N 1.14 0.00 0.00 3.86 0.00 -0.51 -3.44 103.07 104.12 1xck h GLY 471 Ca 0.30 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.63 1xck h GLY 471 CO -0.06 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.09 1xck n GLY 472 N -0.99 -0.02 3.21 4.60 0.00 -0.75 -5.12 105.19 106.12 1xck n GLY 472 Ca -0.03 -1.75 -0.12 0.00 0.00 0.00 0.00 46.02 44.13 1xck n GLY 472 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1xck s ASP 473 N -1.00 0.16 0.42 1.61 1.01 -1.26 -5.02 116.67 112.58 1xck s ASP 473 Ca 0.00 -1.35 0.00 0.00 0.71 0.00 0.00 52.55 51.91 1xck s ASP 473 Cb 0.00 0.38 0.00 0.00 1.01 0.00 0.00 42.92 44.31 1xck s ASP 473 CO 0.00 -0.84 0.00 0.61 0.21 0.00 0.00 175.17 175.15 1xck n GLY 474 N -0.25 2.77 2.08 0.21 0.00 -1.26 -0.89 105.19 107.85 1xck n GLY 474 Ca 0.01 0.01 -0.24 0.00 0.00 0.00 0.00 46.02 45.81 1xck n GLY 474 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1xck n ASN 475 N 1.94 5.29 -4.73 1.61 4.13 -1.26 -4.92 115.26 117.32 1xck n ASN 475 Ca 0.00 -3.41 -0.41 0.00 1.68 0.00 0.00 54.58 52.44 1xck n ASN 475 Cb 0.00 -0.88 -0.04 0.00 -1.54 0.00 0.00 39.78 37.32 1xck n ASN 475 CO 0.00 0.00 0.00 -0.47 0.28 0.00 0.00 177.26 177.07 1xck s TYR 476 N -2.88 3.75 0.11 3.10 5.04 -0.07 -0.11 117.35 126.29 1xck s TYR 476 Ca 0.49 1.69 -0.08 0.00 -2.44 0.00 0.00 57.07 56.73 1xck s TYR 476 Cb 0.40 -3.01 0.03 0.00 0.35 0.00 0.00 41.96 39.73 1xck s TYR 476 CO 0.04 0.16 0.39 0.41 -1.34 0.00 0.00 175.55 175.21 1xck n GLY 477 N 2.48 1.23 3.71 8.97 0.00 0.37 -4.72 105.19 117.23 1xck n GLY 477 Ca 0.02 -1.05 -0.36 0.00 0.00 0.00 0.00 46.02 44.63 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 -5.09 3.42 -0.82 1.61 5.04 -1.26 -1.45 117.35 118.80 1xck s TYR 478 Ca 0.08 0.49 -0.18 0.00 -2.44 0.00 0.00 57.07 55.03 1xck s TYR 478 Cb -0.01 -2.31 0.15 0.00 0.35 0.00 0.00 41.96 40.13 1xck s TYR 478 CO 0.03 0.20 0.94 1.21 -1.34 0.00 0.00 175.55 176.59 1xck s ASN 479 N 0.58 6.56 0.42 4.32 3.84 0.10 -4.90 114.94 125.86 1xck s ASN 479 Ca 0.14 -2.05 0.21 0.00 0.21 0.00 0.00 52.86 51.36 1xck s ASN 479 Cb -0.13 -2.33 1.17 0.00 -0.55 0.00 0.00 41.25 39.41 1xck s ASN 479 CO 0.03 -0.96 1.77 0.00 -2.79 0.00 0.00 177.10 175.15 1xck h ALA 480 N 8.65 2.34 -0.44 1.71 0.00 -1.94 0.57 119.26 130.15 1xck h ALA 480 Ca 0.03 0.05 -0.04 0.00 0.00 0.00 0.00 54.91 54.96 1xck h ALA 480 Cb 1.04 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.86 1xck h ALA 480 CO 1.01 -0.75 0.14 0.00 0.00 0.00 0.00 179.25 179.65 1xck h ALA 481 N 1.60 0.58 -0.01 0.00 0.00 -1.96 -3.29 119.26 116.18 1xck h ALA 481 Ca 0.60 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 55.33 1xck h ALA 481 Cb 1.63 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 19.24 1xck h ALA 481 CO -0.27 0.23 -0.28 0.25 0.00 0.00 0.00 179.25 179.18 1xck n THR 482 N -4.55 0.00 -2.04 0.00 -2.24 -0.65 -4.98 114.28 99.82 1xck n THR 482 Ca 0.01 -0.36 -0.18 0.00 -2.27 0.00 0.00 64.05 61.25 1xck n THR 482 Cb 0.19 1.20 -0.03 0.00 -2.10 0.00 0.00 70.33 69.59 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 -0.00 -1.35 -4.99 -0.78 1.02 0.19 -4.99 120.64 109.75 1xck n GLU 483 Ca 0.07 0.95 -0.32 0.00 -0.02 0.00 0.00 57.16 57.84 1xck n GLU 483 Cb 0.34 -5.36 -0.14 0.00 -0.02 0.00 0.00 31.44 26.26 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 -4.39 2.56 0.45 3.49 0.41 -1.19 -4.89 118.70 115.14 1xck s GLU 484 Ca 0.00 -0.76 -0.06 0.00 -0.41 0.00 0.00 54.97 53.74 1xck s GLU 484 Cb 0.00 -2.33 -0.04 0.00 -1.78 0.00 0.00 34.13 29.97 1xck s GLU 484 CO 0.00 0.53 0.77 0.71 -0.49 0.00 0.00 175.26 176.78 1xck s TYR 485 N -0.50 3.53 -5.00 1.61 1.51 -1.26 -0.72 117.35 116.52 1xck s TYR 485 Ca 0.07 0.86 0.00 0.00 -1.01 0.00 0.00 57.07 56.98 1xck s TYR 485 Cb -0.12 -2.32 0.00 0.00 -0.11 0.00 0.00 41.96 39.41 1xck s TYR 485 CO 0.01 -0.20 0.00 0.41 -1.11 0.00 0.00 175.55 174.66 1xck n GLY 486 N -1.94 -0.79 3.61 0.71 0.00 -0.53 -4.93 105.19 101.33 1xck n GLY 486 Ca 0.01 -1.18 -0.43 0.00 0.00 0.00 0.00 46.02 44.42 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 6.72 0.31 1.61 3.84 -1.26 -0.48 114.94 121.68 1xck s ASN 487 Ca 0.00 0.64 0.03 0.00 0.21 0.00 0.00 52.86 53.74 1xck s ASN 487 Cb 0.00 -2.52 0.61 0.00 -0.55 0.00 0.00 41.25 38.78 1xck s ASN 487 CO 0.00 -1.05 1.87 0.24 -2.79 0.00 0.00 177.10 175.37 1xck h MET 488 N 8.72 0.91 -0.10 0.43 2.86 -0.82 0.01 114.93 126.94 1xck h MET 488 Ca -0.22 -0.05 -0.04 0.00 -2.06 0.00 0.00 59.70 57.33 1xck h MET 488 Cb 1.06 -0.21 -0.00 0.00 0.06 0.00 0.00 31.60 32.52 1xck h MET 488 CO 1.06 0.60 -0.08 0.82 1.06 0.00 0.00 176.91 180.38 1xck h ILE 489 N 0.94 1.35 -0.77 -1.22 1.08 -1.76 0.18 117.51 117.31 1xck h ILE 489 Ca 0.45 -1.20 0.07 0.00 -0.39 0.00 0.00 64.86 63.79 1xck h ILE 489 Cb 0.44 1.93 -0.06 0.00 -3.07 0.00 0.00 36.82 36.06 1xck h ILE 489 CO -0.21 0.34 0.45 0.44 -0.69 0.00 0.00 178.15 178.48 1xck h ASP 490 N -0.17 0.68 0.00 1.72 3.32 -1.82 0.16 116.42 120.31 1xck h ASP 490 Ca 0.02 0.03 0.00 0.00 0.02 0.00 0.00 57.03 57.10 1xck h ASP 490 Cb 0.58 -0.11 0.00 0.00 0.22 0.00 0.00 39.33 40.02 1xck h ASP 490 CO 0.02 0.43 0.00 0.23 -1.72 0.00 0.00 179.24 178.20 1xck n MET 491 N -4.72 0.72 -2.16 3.56 2.81 -0.05 -4.86 117.12 112.41 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 0.20 -1.37 -0.01 0.00 -0.71 0.00 0.00 33.22 31.33 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 0.39 -0.02 3.04 3.03 0.00 0.56 -4.99 105.19 107.19 1xck n GLY 492 Ca 0.13 -0.41 -0.33 0.00 0.00 0.00 0.00 46.02 45.40 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 -2.56 3.11 0.31 -0.61 1.01 0.60 -5.01 121.20 118.04 1xck s ILE 493 Ca 0.00 -2.96 0.03 0.00 0.00 0.00 0.00 60.65 57.72 1xck s ILE 493 Cb 0.00 -3.10 -0.04 0.00 0.01 0.00 0.00 42.46 39.33 1xck s ILE 493 CO 0.00 -0.80 0.13 -1.48 0.00 0.00 0.00 174.94 172.78 1xck s LEU 494 N 0.05 1.77 0.01 2.97 0.05 -1.26 -0.47 118.68 121.80 1xck s LEU 494 Ca 0.16 -1.51 0.00 0.00 0.05 0.00 0.00 54.13 52.83 1xck s LEU 494 Cb -0.23 0.03 -0.01 0.00 -2.05 0.00 0.00 46.19 43.94 1xck s LEU 494 CO -0.03 -0.82 -0.01 -1.81 -0.55 0.00 0.00 176.35 173.14 1xck s ASP 495 N -3.41 0.10 0.26 1.48 1.01 -0.44 -4.52 116.67 111.16 1xck s ASP 495 Ca 0.35 -0.17 -0.30 0.00 0.71 0.00 0.00 52.55 53.14 1xck s ASP 495 Cb 0.06 0.03 -0.10 0.00 1.01 0.00 0.00 42.92 43.92 1xck s ASP 495 CO 0.16 -0.10 1.47 -2.84 0.21 0.00 0.00 175.17 174.07 1xck s PRO 496 N -0.50 4.23 0.46 8.23 0.02 -1.26 -1.42 135.00 144.76 1xck s PRO 496 Ca -0.05 2.37 0.22 0.00 0.02 0.00 0.00 61.00 63.56 1xck s PRO 496 Cb -0.03 -3.09 1.22 0.00 0.02 0.00 0.00 34.50 32.62 1xck s PRO 496 CO -0.00 -0.47 1.88 1.15 -0.33 0.00 0.00 177.00 179.23 1xck h THR 497 N 3.48 0.66 -0.94 0.99 2.02 -1.18 -0.32 112.91 117.62 1xck h THR 497 Ca -0.46 -0.09 0.00 0.00 0.77 0.00 0.00 66.41 66.63 1xck h THR 497 Cb 1.22 0.38 -0.05 0.00 -1.74 0.00 0.00 68.15 67.97 1xck h THR 497 CO 0.77 0.05 0.60 0.50 0.37 0.00 0.00 175.52 177.81 1xck h LYS 498 N 0.25 1.25 -0.09 6.66 3.64 -1.82 0.99 116.57 127.45 1xck h LYS 498 Ca 0.43 -0.09 -0.18 0.00 -1.27 0.00 0.00 60.65 59.54 1xck h LYS 498 Cb 1.27 -0.27 -0.01 0.00 -0.41 0.00 0.00 32.23 32.81 1xck h LYS 498 CO -0.11 0.85 -0.69 -0.39 -2.27 0.00 0.00 179.45 176.84 1xck h VAL 499 N 1.28 1.37 -0.25 2.00 -1.51 -1.37 -0.80 116.25 116.98 1xck h VAL 499 Ca 0.34 -2.07 -0.12 0.00 -1.23 0.00 0.00 66.70 63.63 1xck h VAL 499 Cb -0.11 2.05 -0.00 0.00 -2.13 0.00 0.00 31.29 31.09 1xck h VAL 499 CO -0.07 0.62 -0.30 0.74 -1.23 0.00 0.00 177.57 177.33 1xck h THR 500 N 0.29 1.31 -0.16 7.19 2.02 -1.33 -0.92 112.91 121.32 1xck h THR 500 Ca -0.02 -1.48 0.02 0.00 0.77 0.00 0.00 66.41 65.69 1xck h THR 500 Cb 1.25 1.70 -0.02 0.00 -1.74 0.00 0.00 68.15 69.34 1xck h THR 500 CO 0.12 0.47 0.05 -0.09 0.37 0.00 0.00 175.52 176.43 1xck h ARG 501 N 0.35 0.12 -0.12 6.66 2.43 -0.76 -2.24 114.38 120.81 1xck h ARG 501 Ca 0.03 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.20 1xck h ARG 501 Cb 0.87 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 30.39 1xck h ARG 501 CO 0.07 0.08 0.08 0.77 -1.51 0.00 0.00 179.97 179.46 1xck h SER 502 N 0.12 0.14 -0.57 -3.80 0.02 -1.11 -1.10 113.55 107.26 1xck h SER 502 Ca 0.07 -0.01 0.08 0.00 -0.84 0.00 0.00 61.79 61.09 1xck h SER 502 Cb 0.05 -0.03 -0.07 0.00 0.14 0.00 0.00 62.40 62.49 1xck h SER 502 CO -0.08 0.10 0.22 0.00 -1.14 0.00 0.00 176.83 175.93 1xck h ALA 503 N 1.04 0.72 0.12 3.77 0.00 -1.06 0.38 119.26 124.24 1xck h ALA 503 Ca 0.04 0.07 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 1xck h ALA 503 Cb -0.02 0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.81 1xck h ALA 503 CO -0.01 -0.19 -0.06 1.25 0.00 0.00 0.00 179.25 180.25 1xck h LEU 504 N 0.40 -0.14 -0.72 0.00 5.85 -1.21 -1.64 115.31 117.86 1xck h LEU 504 Ca 0.28 -0.26 0.02 0.00 0.84 0.00 0.00 57.88 58.76 1xck h LEU 504 Cb 0.32 0.04 -0.04 0.00 0.37 0.00 0.00 40.66 41.34 1xck h LEU 504 CO -0.28 0.19 0.46 1.56 -0.34 0.00 0.00 178.44 180.04 1xck h GLN 505 N -0.48 0.88 -0.38 1.25 4.20 -0.89 -0.59 115.11 119.11 1xck h GLN 505 Ca -0.02 -0.05 -0.09 0.00 0.06 0.00 0.00 58.65 58.55 1xck h GLN 505 Cb 0.39 -0.20 -0.01 0.00 0.30 0.00 0.00 27.48 27.96 1xck h GLN 505 CO 0.03 0.59 -0.13 1.88 -0.67 0.00 0.00 178.83 180.53 1xck h TYR 506 N 0.91 0.85 -0.23 2.96 0.05 -0.96 -0.57 116.97 119.99 1xck h TYR 506 Ca 0.28 -0.19 0.01 0.00 0.05 0.00 0.00 58.73 58.87 1xck h TYR 506 Cb -0.03 -0.20 -0.01 0.00 1.01 0.00 0.00 36.73 37.50 1xck h TYR 506 CO -0.03 0.91 0.14 0.00 -1.05 0.00 0.00 178.16 178.13 1xck h ALA 507 N 0.82 0.28 -0.43 3.88 0.00 -0.99 -1.76 119.26 121.06 1xck h ALA 507 Ca 0.09 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.96 1xck h ALA 507 Cb 0.66 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.35 1xck h ALA 507 CO 0.04 -0.25 0.12 0.00 0.00 0.00 0.00 179.25 179.16 1xck h ALA 508 N 1.09 1.40 0.61 0.00 0.00 -1.05 -1.55 119.26 119.77 1xck h ALA 508 Ca 0.09 -0.16 -0.03 0.00 0.00 0.00 0.00 54.91 54.81 1xck h ALA 508 Cb -0.02 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.60 1xck h ALA 508 CO -0.03 0.44 -0.31 1.03 0.00 0.00 0.00 179.25 180.38 1xck h SER 509 N 0.62 -0.74 0.10 0.00 0.87 -0.24 0.79 113.55 114.94 1xck h SER 509 Ca 0.15 0.03 -0.09 0.00 -1.23 0.00 0.00 61.79 60.65 1xck h SER 509 Cb 0.21 0.20 -0.01 0.00 -0.44 0.00 0.00 62.40 62.36 1xck h SER 509 CO -0.01 -0.52 -0.29 1.62 -0.53 0.00 0.00 176.83 177.10 1xck h VAL 510 N -0.84 1.26 -0.55 2.23 3.04 -1.32 -2.55 116.25 117.52 1xck h VAL 510 Ca -0.08 -1.26 -0.08 0.00 -1.01 0.00 0.00 66.70 64.26 1xck h VAL 510 Cb 0.66 1.47 -0.02 0.00 -2.01 0.00 0.00 31.29 31.39 1xck h VAL 510 CO 0.13 0.39 0.02 0.00 -1.01 0.00 0.00 177.57 177.09 1xck h ALA 511 N 1.43 0.74 -0.71 3.17 0.00 -1.15 -1.48 119.26 121.25 1xck h ALA 511 Ca 0.04 -0.29 -0.00 0.00 0.00 0.00 0.00 54.91 54.66 1xck h ALA 511 Cb 0.66 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 18.21 1xck h ALA 511 CO 0.05 0.55 0.44 0.78 0.00 0.00 0.00 179.25 181.07 1xck h GLY 512 N 0.84 1.02 0.98 0.00 0.00 -0.57 -0.95 103.07 104.39 1xck h GLY 512 Ca 0.16 -0.41 -0.03 0.00 0.00 0.00 0.00 47.33 47.05 1xck h GLY 512 CO 0.02 0.40 0.22 1.41 0.00 0.00 0.00 176.54 178.59 1xck h LEU 513 N 0.96 0.71 -0.41 3.11 3.38 -1.18 -2.53 115.31 119.36 1xck h LEU 513 Ca 0.26 -0.16 -0.10 0.00 0.09 0.00 0.00 57.88 57.97 1xck h LEU 513 Cb -0.06 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.50 1xck h LEU 513 CO -0.05 0.67 -0.13 0.24 0.09 0.00 0.00 178.44 179.26 1xck h MET 514 N 0.70 0.81 -0.07 1.13 2.86 -1.01 -2.73 114.93 116.62 1xck h MET 514 Ca 0.17 -0.32 0.02 0.00 -2.06 0.00 0.00 59.70 57.51 1xck h MET 514 Cb 0.18 -0.04 -0.00 0.00 0.06 0.00 0.00 31.60 31.79 1xck h MET 514 CO -0.02 0.95 0.05 0.82 1.06 0.00 0.00 176.91 179.77 1xck h ILE 515 N 0.62 0.92 -0.85 -1.22 2.04 -1.07 -2.02 117.51 115.92 1xck h ILE 515 Ca 0.10 0.00 -0.42 0.00 1.00 0.00 0.00 64.86 65.54 1xck h ILE 515 Cb 0.67 0.96 -0.25 0.00 -0.74 0.00 0.00 36.82 37.47 1xck h ILE 515 CO 0.05 0.00 0.48 0.35 0.00 0.00 0.00 178.15 179.02 1xck n THR 516 N -4.45 3.06 -3.91 -0.27 -2.24 -0.96 -4.81 114.28 100.70 1xck n THR 516 Ca -0.01 -2.02 -0.35 0.00 -2.27 0.00 0.00 64.05 59.39 1xck n THR 516 Cb 0.16 -0.43 -0.08 0.00 -2.10 0.00 0.00 70.33 67.88 1xck n THR 516 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 1xck s THR 517 N -3.25 5.13 -0.01 4.28 2.01 -0.76 -4.96 115.64 118.08 1xck s THR 517 Ca 0.55 0.08 0.02 0.00 0.31 0.00 0.00 61.69 62.65 1xck s THR 517 Cb 0.46 -3.29 -0.03 0.00 0.01 0.00 0.00 72.50 69.65 1xck s THR 517 CO 0.09 0.50 0.05 -0.62 -0.69 0.00 0.00 174.62 173.96 1xck n GLU 518 N 3.04 0.88 -3.88 4.92 -0.58 -1.26 -4.82 120.64 118.94 1xck n GLU 518 Ca -0.17 -0.02 -0.11 0.00 -0.42 0.00 0.00 57.16 56.44 1xck n GLU 518 Cb 0.53 -0.99 -0.11 0.00 -0.57 0.00 0.00 31.44 30.30 1xck n GLU 518 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1xck s MET 520 N -1.05 0.71 -0.09 0.00 -1.94 -0.03 -4.99 119.30 111.90 1xck s MET 520 Ca -0.11 -0.11 0.04 0.00 -1.71 0.00 0.00 55.69 53.79 1xck s MET 520 Cb -0.06 -0.72 -0.00 0.00 2.01 0.00 0.00 34.83 36.05 1xck s MET 520 CO 0.01 -0.04 -0.23 0.08 -0.01 0.00 0.00 175.02 174.83 1xck s VAL 521 N 0.68 1.98 0.29 -6.03 1.01 -1.26 -1.18 120.40 115.89 1xck s VAL 521 Ca -0.09 -0.98 -0.10 0.00 0.00 0.00 0.00 61.98 60.81 1xck s VAL 521 Cb -0.12 -1.71 0.00 0.00 0.00 0.00 0.00 36.38 34.56 1xck s VAL 521 CO 0.00 0.54 0.51 0.28 0.00 0.00 0.00 175.10 176.43 1xck s THR 522 N 0.29 0.00 0.63 3.92 -1.32 -0.79 -4.97 115.64 113.39 1xck s THR 522 Ca -0.16 -1.43 -0.15 0.00 -1.21 0.00 0.00 61.69 58.74 1xck s THR 522 Cb -0.17 -2.42 -0.02 0.00 -1.51 0.00 0.00 72.50 68.38 1xck s THR 522 CO 0.08 0.00 1.08 -1.81 -2.21 0.00 0.00 174.62 171.75 1xck s ASP 523 N -3.09 5.50 0.18 8.08 1.01 -1.26 0.67 116.67 127.75 1xck s ASP 523 Ca 0.24 1.87 -0.30 0.00 0.71 0.00 0.00 52.55 55.08 1xck s ASP 523 Cb -0.01 -2.54 -0.08 0.00 1.01 0.00 0.00 42.92 41.30 1xck s ASP 523 CO 0.13 -1.36 1.11 -0.22 0.21 0.00 0.00 175.17 175.04 1xck s LEU 524 N -4.71 4.49 0.00 1.23 2.96 -1.18 -4.49 118.68 116.98 1xck s LEU 524 Ca 0.64 2.12 0.00 0.00 -0.22 0.00 0.00 54.13 56.67 1xck s LEU 524 Cb -0.18 -3.61 0.00 0.00 0.50 0.00 0.00 46.19 42.91 1xck s LEU 524 CO 0.40 -0.23 0.40 -0.81 -1.32 0.00 0.00 176.35 174.78