#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kxw n LEU 1 N 0.00 1.58 -4.77 1.04 0.00 -1.26 -4.81 117.00 108.78 3kxw n LEU 1 Ca 0.00 0.25 -0.39 0.00 0.00 0.00 0.00 56.01 55.86 3kxw n LEU 1 Cb 0.00 -0.22 -0.01 0.00 0.00 0.00 0.00 43.42 43.19 3kxw n LEU 1 CO 0.00 -0.22 0.94 -0.54 0.00 0.00 0.00 177.39 177.57 3kxw s LYS 2 N -0.52 4.03 0.25 1.96 -0.14 -1.26 -4.87 119.74 119.20 3kxw s LYS 2 Ca 0.00 2.10 -0.05 0.00 -1.36 0.00 0.00 55.97 56.67 3kxw s LYS 2 Cb 0.00 -2.78 0.28 0.00 -1.68 0.00 0.00 37.83 33.64 3kxw s LYS 2 CO 0.00 -0.42 1.83 0.87 -0.76 0.00 0.00 175.35 176.87 3kxw h LYS 3 N 2.76 1.09 -0.79 1.68 1.79 -2.00 -2.08 116.57 119.03 3kxw h LYS 3 Ca -0.49 -0.17 0.07 0.00 -2.18 0.00 0.00 60.65 57.87 3kxw h LYS 3 Cb 1.24 -0.19 -0.05 0.00 -1.58 0.00 0.00 32.23 31.65 3kxw h LYS 3 CO 0.63 0.86 0.52 1.49 -1.08 0.00 0.00 179.45 181.87 3kxw h GLU 4 N 1.07 0.81 -0.05 3.15 4.81 -2.00 -1.81 114.58 120.56 3kxw h GLU 4 Ca 0.25 -0.05 -0.21 0.00 -0.13 0.00 0.00 59.36 59.22 3kxw h GLU 4 Cb 0.17 -0.18 0.00 0.00 0.63 0.00 0.00 28.75 29.36 3kxw h GLU 4 CO -0.03 0.54 -0.83 1.88 -0.73 0.00 0.00 179.01 179.84 3kxw h TYR 5 N 0.84 0.67 0.00 0.92 0.05 -1.76 -3.10 116.97 114.58 3kxw h TYR 5 Ca 0.34 -0.32 -0.01 0.00 0.05 0.00 0.00 58.73 58.79 3kxw h TYR 5 Cb 0.26 -0.09 -0.00 0.00 1.01 0.00 0.00 36.73 37.91 3kxw h TYR 5 CO -0.00 1.12 -0.04 -0.07 -1.05 0.00 0.00 178.16 178.12 3kxw h LEU 6 N 0.30 0.00 0.00 3.88 3.38 -0.96 -2.36 115.31 119.55 3kxw h LEU 6 Ca -0.06 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.91 3kxw h LEU 6 Cb 1.44 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.19 3kxw h LEU 6 CO 0.15 0.04 -0.09 1.56 0.09 0.00 0.00 178.44 180.19 3kxw h GLN 7 N 0.00 0.00 -7.00 1.13 4.20 -1.30 -3.46 115.11 108.68 3kxw h GLN 7 Ca -0.00 0.00 -0.52 0.00 0.06 0.00 0.00 58.65 58.19 3kxw h GLN 7 Cb 0.09 0.00 0.08 0.00 0.30 0.00 0.00 27.48 27.96 3kxw h GLN 7 CO 0.01 0.00 0.53 0.00 -0.67 0.00 0.00 178.83 178.69 3kxw n GLN 9 N -0.54 0.03 -3.96 0.00 1.13 -1.26 -4.94 117.38 107.84 3kxw n GLN 9 Ca 0.08 -0.01 -0.09 0.00 -1.94 0.00 0.00 57.00 55.04 3kxw n GLN 9 Cb 0.47 -1.50 -0.08 0.00 0.11 0.00 0.00 30.24 29.24 3kxw n GLN 9 CO 0.00 0.00 0.00 -1.54 -1.44 0.00 0.00 177.06 174.08 3kxw s SER 10 N -3.06 0.12 0.50 1.08 1.04 -1.26 -4.66 113.70 107.45 3kxw s SER 10 Ca 0.08 -0.86 0.17 0.00 0.48 0.00 0.00 55.95 55.82 3kxw s SER 10 Cb 0.16 0.38 1.22 0.00 0.10 0.00 0.00 66.02 67.88 3kxw s SER 10 CO 0.85 -0.81 2.09 0.25 0.98 0.00 0.00 173.24 176.60 3kxw h LEU 11 N 2.67 0.00 -0.32 2.42 5.85 -1.92 -2.37 115.31 121.64 3kxw h LEU 11 Ca -0.33 0.00 0.06 0.00 0.84 0.00 0.00 57.88 58.46 3kxw h LEU 11 Cb 1.21 0.00 -0.06 0.00 0.37 0.00 0.00 40.66 42.18 3kxw h LEU 11 CO 0.53 0.08 -0.08 0.58 -0.34 0.00 0.00 178.44 179.20 3kxw h VAL 12 N 0.00 0.67 0.00 1.05 2.07 -1.95 -1.06 116.25 117.04 3kxw h VAL 12 Ca -0.00 0.00 -0.12 0.00 0.82 0.00 0.00 66.70 67.40 3kxw h VAL 12 Cb 0.15 0.67 -0.02 0.00 -1.52 0.00 0.00 31.29 30.57 3kxw h VAL 12 CO 0.01 0.00 -0.57 0.44 0.02 0.00 0.00 177.57 177.47 3kxw h ASP 13 N -0.01 0.00 -0.22 0.57 3.32 -1.85 -1.17 116.42 117.06 3kxw h ASP 13 Ca 0.15 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.20 3kxw h ASP 13 Cb 0.24 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.78 3kxw h ASP 13 CO -0.33 0.57 0.12 0.58 -1.72 0.00 0.00 179.24 178.46 3kxw h VAL 14 N 0.00 1.12 -0.39 -1.35 2.07 -1.18 -1.12 116.25 115.40 3kxw h VAL 14 Ca -0.01 -0.34 -0.04 0.00 0.82 0.00 0.00 66.70 67.14 3kxw h VAL 14 Cb 1.03 0.94 -0.02 0.00 -1.52 0.00 0.00 31.29 31.73 3kxw h VAL 14 CO 0.07 0.12 0.10 0.58 0.02 0.00 0.00 177.57 178.46 3kxw h VAL 15 N 0.24 1.23 -0.60 2.57 2.07 -0.96 -0.90 116.25 119.90 3kxw h VAL 15 Ca 0.08 -0.77 0.08 0.00 0.82 0.00 0.00 66.70 66.91 3kxw h VAL 15 Cb 0.09 0.98 -0.06 0.00 -1.52 0.00 0.00 31.29 30.77 3kxw h VAL 15 CO -0.01 0.27 0.27 0.03 0.02 0.00 0.00 177.57 178.14 3kxw h ARG 16 N 0.49 0.48 -0.19 1.57 3.08 -1.14 -1.05 114.38 117.62 3kxw h ARG 16 Ca 0.12 -0.03 -0.12 0.00 0.07 0.00 0.00 59.98 60.02 3kxw h ARG 16 Cb 0.30 -0.11 0.00 0.00 0.08 0.00 0.00 29.97 30.24 3kxw h ARG 16 CO 0.00 0.31 -0.36 1.25 -1.07 0.00 0.00 179.97 180.11 3kxw h LEU 17 N 0.49 0.65 -1.01 3.04 5.85 -1.02 -2.83 115.31 120.48 3kxw h LEU 17 Ca 0.29 -0.54 0.07 0.00 0.84 0.00 0.00 57.88 58.54 3kxw h LEU 17 Cb 0.29 -0.19 -0.07 0.00 0.37 0.00 0.00 40.66 41.07 3kxw h LEU 17 CO -0.25 1.07 0.65 0.03 -0.34 0.00 0.00 178.44 179.60 3kxw h ARG 18 N 0.25 1.13 0.00 1.25 3.08 -1.00 -0.76 114.38 118.33 3kxw h ARG 18 Ca 0.01 -0.07 -0.01 0.00 0.07 0.00 0.00 59.98 59.98 3kxw h ARG 18 Cb 0.95 -0.25 -0.00 0.00 0.08 0.00 0.00 29.97 30.75 3kxw h ARG 18 CO 0.08 0.75 -0.06 0.00 -1.07 0.00 0.00 179.97 179.67 3kxw h ALA 19 N 1.47 1.15 0.18 0.04 0.00 -1.03 0.17 119.26 121.24 3kxw h ALA 19 Ca 0.44 -0.05 -0.34 0.00 0.00 0.00 0.00 54.91 54.96 3kxw h ALA 19 Cb 0.20 -0.01 0.01 0.00 0.00 0.00 0.00 17.79 17.99 3kxw h ALA 19 CO -0.18 0.07 -1.69 -0.07 0.00 0.00 0.00 179.25 177.39 3kxw h LEU 20 N 0.00 0.61 -0.19 0.00 3.38 -1.04 -3.16 115.31 114.91 3kxw h LEU 20 Ca -0.00 -0.93 -0.22 0.00 0.09 0.00 0.00 57.88 56.82 3kxw h LEU 20 Cb 0.28 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 40.84 3kxw h LEU 20 CO 0.01 1.76 -0.92 0.45 0.09 0.00 0.00 178.44 179.83 3kxw h HIS 21 N 0.05 0.63 -1.30 1.13 3.86 -0.98 -3.40 115.15 115.13 3kxw h HIS 21 Ca -0.33 -0.34 -0.43 0.00 -1.16 0.00 0.00 60.37 58.11 3kxw h HIS 21 Cb 2.06 -0.07 -0.31 0.00 1.06 0.00 0.00 27.41 30.15 3kxw h HIS 21 CO 0.11 1.15 -0.90 -1.13 0.86 0.00 0.00 177.93 178.02 3kxw n SER 22 N -3.76 -0.73 -0.33 2.45 3.41 0.56 -4.99 113.62 110.24 3kxw n SER 22 Ca -0.07 -3.00 0.05 0.00 -0.26 0.00 0.00 58.87 55.59 3kxw n SER 22 Cb 0.82 0.24 0.24 0.00 -0.26 0.00 0.00 64.21 65.26 3kxw n SER 22 CO 0.00 0.00 0.00 1.55 -0.16 0.00 0.00 175.04 176.43 3kxw h PRO 23 N 3.72 0.99 -0.16 4.33 0.13 -1.67 -2.32 132.00 137.01 3kxw h PRO 23 Ca 0.00 -0.06 0.00 0.00 -0.87 0.00 0.00 66.00 65.07 3kxw h PRO 23 Cb 0.96 -0.22 0.00 0.00 0.13 0.00 0.00 31.00 31.86 3kxw h PRO 23 CO 0.40 0.65 0.00 0.09 -0.23 0.00 0.00 178.00 178.91 3kxw n ASN 24 N -4.53 2.09 -4.70 1.44 3.02 -1.26 -1.24 115.26 110.08 3kxw n ASN 24 Ca 0.16 -1.75 -0.42 0.00 -0.03 0.00 0.00 54.58 52.54 3kxw n ASN 24 Cb 0.26 -0.10 -0.03 0.00 -0.61 0.00 0.00 39.78 39.30 3kxw n ASN 24 CO 0.00 0.00 0.00 -0.75 -2.62 0.00 0.00 177.26 173.89 3kxw s LYS 25 N -1.80 4.21 0.25 3.52 2.20 -0.87 -4.86 119.74 122.39 3kxw s LYS 25 Ca 0.34 2.32 -0.31 0.00 -0.36 0.00 0.00 55.97 57.96 3kxw s LYS 25 Cb 0.19 -3.44 -0.11 0.00 -1.51 0.00 0.00 37.83 32.97 3kxw s LYS 25 CO 0.29 -0.67 1.58 0.15 -0.36 0.00 0.00 175.35 176.33 3kxw s LYS 26 N 2.07 4.17 -0.02 4.03 1.02 -1.26 -1.79 119.74 127.97 3kxw s LYS 26 Ca 0.72 2.48 -0.04 0.00 0.02 0.00 0.00 55.97 59.15 3kxw s LYS 26 Cb -0.41 -3.07 -0.01 0.00 -0.52 0.00 0.00 37.83 33.82 3kxw s LYS 26 CO 0.32 -0.60 -0.08 0.45 -0.92 0.00 0.00 175.35 174.51 3kxw n SER 27 N 2.81 0.77 -4.21 2.83 2.88 -1.26 -4.50 113.62 112.94 3kxw n SER 27 Ca 0.10 0.12 -0.30 0.00 -1.33 0.00 0.00 58.87 57.46 3kxw n SER 27 Cb 0.38 -0.38 -0.17 0.00 -0.75 0.00 0.00 64.21 63.29 3kxw n SER 27 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3kxw s THR 29 N 0.09 1.49 -0.06 0.00 2.01 0.06 -4.24 115.64 114.99 3kxw s THR 29 Ca -0.09 -0.68 0.04 0.00 0.31 0.00 0.00 61.69 61.27 3kxw s THR 29 Cb -0.15 -1.33 -0.02 0.00 0.01 0.00 0.00 72.50 71.02 3kxw s THR 29 CO 0.05 0.43 -0.19 0.12 -0.69 0.00 0.00 174.62 174.34 3kxw s PHE 30 N 0.60 2.58 -0.10 4.92 5.36 0.13 -4.26 117.98 127.21 3kxw s PHE 30 Ca -0.15 -0.47 0.03 0.00 -0.96 0.00 0.00 56.93 55.38 3kxw s PHE 30 Cb -0.16 -1.64 -0.01 0.00 -0.34 0.00 0.00 43.02 40.87 3kxw s PHE 30 CO 0.05 -0.05 -0.20 -0.51 -1.46 0.00 0.00 175.22 173.05 3kxw s LEU 31 N -0.34 2.34 -0.20 6.12 1.43 -1.26 -1.84 118.68 124.92 3kxw s LEU 31 Ca 0.02 -0.45 -0.01 0.00 -1.03 0.00 0.00 54.13 52.67 3kxw s LEU 31 Cb -0.12 -1.48 0.06 0.00 0.03 0.00 0.00 46.19 44.67 3kxw s LEU 31 CO 0.02 0.19 -0.01 0.21 0.23 0.00 0.00 176.35 176.99 3kxw s ASN 32 N 0.16 3.23 1.99 2.29 2.47 -0.94 -4.46 114.94 119.67 3kxw s ASN 32 Ca -0.11 -0.92 0.00 0.00 0.42 0.00 0.00 52.86 52.25 3kxw s ASN 32 Cb -0.16 -0.87 0.00 0.00 -1.45 0.00 0.00 41.25 38.77 3kxw s ASN 32 CO 0.06 -0.26 0.00 0.29 -3.72 0.00 0.00 177.10 173.48 3kxw n LYS 33 N 4.88 0.00 -0.31 0.43 4.76 -1.26 -1.21 118.16 125.44 3kxw n LYS 33 Ca -0.11 0.00 0.10 0.00 -2.87 0.00 0.00 58.31 55.43 3kxw n LYS 33 Cb 0.46 0.00 0.27 0.00 -1.84 0.00 0.00 35.03 33.92 3kxw n LYS 33 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42 3kxw n GLU 34 N 12.02 2.77 -3.39 1.97 -0.58 -1.26 -4.96 120.64 127.21 3kxw n GLU 34 Ca 0.00 -2.48 -0.34 0.00 -0.42 0.00 0.00 57.16 53.93 3kxw n GLU 34 Cb 0.00 -1.48 -0.06 0.00 -0.57 0.00 0.00 31.44 29.34 3kxw n GLU 34 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 3kxw s LEU 35 N -1.01 4.25 -0.05 -4.62 1.43 -0.35 -5.09 118.68 113.24 3kxw s LEU 35 Ca 0.41 1.00 0.02 0.00 -1.03 0.00 0.00 54.13 54.53 3kxw s LEU 35 Cb 0.21 -3.48 0.01 0.00 0.03 0.00 0.00 46.19 42.96 3kxw s LEU 35 CO 0.28 0.01 -0.11 -1.61 0.23 0.00 0.00 176.35 175.15 3kxw s GLU 36 N -2.40 1.44 -0.03 1.70 2.02 -1.26 -2.21 118.70 117.97 3kxw s GLU 36 Ca 0.43 -0.37 0.01 0.00 0.02 0.00 0.00 54.97 55.06 3kxw s GLU 36 Cb -0.13 -1.24 0.01 0.00 0.10 0.00 0.00 34.13 32.87 3kxw s GLU 36 CO 0.20 0.05 -0.05 -2.00 0.02 0.00 0.00 175.26 173.48 3kxw s GLU 37 N 0.54 0.75 0.00 1.61 2.12 -0.77 -5.01 118.70 117.95 3kxw s GLU 37 Ca -0.11 -0.14 0.00 0.00 0.36 0.00 0.00 54.97 55.08 3kxw s GLU 37 Cb -0.14 -0.75 0.00 0.00 0.26 0.00 0.00 34.13 33.51 3kxw s GLU 37 CO 0.02 -0.02 0.00 2.41 -0.54 0.00 0.00 175.26 177.14 3kxw n THR 38 N 3.73 0.00 -4.26 -1.70 -1.04 -1.26 -0.70 114.28 109.05 3kxw n THR 38 Ca -0.22 0.00 -0.15 0.00 -2.04 0.00 0.00 64.05 61.63 3kxw n THR 38 Cb 0.53 0.00 -0.10 0.00 -1.82 0.00 0.00 70.33 68.94 3kxw n THR 38 CO 0.00 0.00 0.00 0.42 -0.64 0.00 0.00 175.07 174.85 3kxw s THR 40 N -0.53 0.19 0.20 12.58 -4.23 -1.26 -5.00 115.64 117.59 3kxw s THR 40 Ca 0.00 -2.00 -0.11 0.00 -1.18 0.00 0.00 61.69 58.40 3kxw s THR 40 Cb 0.00 -2.53 0.13 0.00 1.34 0.00 0.00 72.50 71.44 3kxw s THR 40 CO 0.00 0.00 1.87 1.88 -0.54 0.00 0.00 174.62 177.83 3kxw h TYR 41 N 2.43 0.88 -0.64 3.99 -1.99 -1.36 -0.88 116.97 119.40 3kxw h TYR 41 Ca -0.35 0.02 0.08 0.00 2.00 0.00 0.00 58.73 60.49 3kxw h TYR 41 Cb 1.25 -0.30 -0.07 0.00 2.00 0.00 0.00 36.73 39.61 3kxw h TYR 41 CO 0.68 0.56 0.29 1.49 -0.00 0.00 0.00 178.16 181.18 3kxw h GLU 42 N 0.95 0.50 -0.16 4.88 4.81 -1.42 -0.79 114.58 123.34 3kxw h GLU 42 Ca 0.26 -0.03 -0.04 0.00 -0.13 0.00 0.00 59.36 59.42 3kxw h GLU 42 Cb -0.10 -0.11 -0.00 0.00 0.63 0.00 0.00 28.75 29.16 3kxw h GLU 42 CO -0.05 0.33 -0.05 1.96 -0.73 0.00 0.00 179.01 180.47 3kxw h GLN 43 N 0.52 0.32 -0.25 1.92 4.20 -1.71 -1.33 115.11 118.78 3kxw h GLN 43 Ca 0.31 -0.13 0.05 0.00 0.06 0.00 0.00 58.65 58.94 3kxw h GLN 43 Cb 0.33 -0.02 -0.04 0.00 0.30 0.00 0.00 27.48 28.05 3kxw h GLN 43 CO -0.26 0.60 -0.03 1.25 -0.67 0.00 0.00 178.83 179.72 3kxw h LEU 44 N 0.02 -0.16 -0.55 1.46 5.85 -0.88 0.88 115.31 121.93 3kxw h LEU 44 Ca 0.04 0.06 0.03 0.00 0.84 0.00 0.00 57.88 58.86 3kxw h LEU 44 Cb 0.49 0.12 -0.04 0.00 0.37 0.00 0.00 40.66 41.60 3kxw h LEU 44 CO 0.02 -0.05 0.32 -0.78 -0.34 0.00 0.00 178.44 177.61 3kxw h ASP 45 N 0.04 0.50 -0.31 1.25 3.58 -1.12 -0.71 116.42 119.64 3kxw h ASP 45 Ca 0.12 0.01 -0.03 0.00 0.42 0.00 0.00 57.03 57.55 3kxw h ASP 45 Cb 0.17 -0.09 -0.01 0.00 1.72 0.00 0.00 39.33 41.11 3kxw h ASP 45 CO -0.23 0.35 0.08 1.56 -2.88 0.00 0.00 179.24 178.13 3kxw h GLN 46 N 0.62 0.50 -0.39 0.28 1.08 -0.68 -0.97 115.11 115.55 3kxw h GLN 46 Ca 0.23 -0.12 0.01 0.00 -1.45 0.00 0.00 58.65 57.32 3kxw h GLN 46 Cb 0.06 -0.07 -0.02 0.00 -0.05 0.00 0.00 27.48 27.40 3kxw h GLN 46 CO -0.12 0.56 0.25 0.45 -0.95 0.00 0.00 178.83 179.02 3kxw h HIS 47 N 0.35 0.47 -0.64 2.96 3.86 -0.73 -0.87 115.15 120.55 3kxw h HIS 47 Ca 0.10 0.01 0.06 0.00 -1.16 0.00 0.00 60.37 59.38 3kxw h HIS 47 Cb 0.28 -0.15 -0.05 0.00 1.06 0.00 0.00 27.41 28.54 3kxw h HIS 47 CO 0.01 0.28 0.35 0.00 0.86 0.00 0.00 177.93 179.43 3kxw h ALA 48 N 1.16 0.85 -0.47 2.45 0.00 -1.01 -0.30 119.26 121.94 3kxw h ALA 48 Ca 0.15 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.05 3kxw h ALA 48 Cb -0.03 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 3kxw h ALA 48 CO -0.05 0.02 0.19 0.87 0.00 0.00 0.00 179.25 180.29 3kxw h LYS 49 N 0.65 0.69 -0.66 0.00 1.57 -0.95 0.39 116.57 118.26 3kxw h LYS 49 Ca 0.28 -0.12 0.01 0.00 -1.87 0.00 0.00 60.65 58.95 3kxw h LYS 49 Cb 0.18 -0.11 -0.03 0.00 0.08 0.00 0.00 32.23 32.34 3kxw h LYS 49 CO -0.18 0.62 0.44 0.00 -0.57 0.00 0.00 179.45 179.75 3kxw h ALA 50 N 1.04 0.85 -0.28 3.86 0.00 -0.69 0.44 119.26 124.47 3kxw h ALA 50 Ca 0.16 -0.04 -0.12 0.00 0.00 0.00 0.00 54.91 54.91 3kxw h ALA 50 Cb 0.18 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 17.70 3kxw h ALA 50 CO -0.01 0.26 -0.28 0.82 0.00 0.00 0.00 179.25 180.03 3kxw h ILE 51 N 0.89 1.30 -0.89 0.00 2.04 -0.92 -2.17 117.51 117.76 3kxw h ILE 51 Ca 0.25 -1.45 -0.01 0.00 1.00 0.00 0.00 64.86 64.65 3kxw h ILE 51 Cb -0.09 1.59 -0.04 0.00 -0.74 0.00 0.00 36.82 37.54 3kxw h ILE 51 CO -0.06 0.46 0.54 0.00 0.00 0.00 0.00 178.15 179.09 3kxw h ALA 52 N 0.70 1.26 -0.53 1.87 0.00 -0.69 -0.66 119.26 121.21 3kxw h ALA 52 Ca 0.04 -0.10 -0.09 0.00 0.00 0.00 0.00 54.91 54.77 3kxw h ALA 52 Cb 0.85 -0.36 -0.02 0.00 0.00 0.00 0.00 17.79 18.26 3kxw h ALA 52 CO 0.07 0.63 -0.02 0.00 0.00 0.00 0.00 179.25 179.93 3kxw h ALA 53 N 1.36 0.95 -0.30 0.00 0.00 -0.77 -0.41 119.26 120.09 3kxw h ALA 53 Ca 0.32 -0.30 -0.02 0.00 0.00 0.00 0.00 54.91 54.91 3kxw h ALA 53 Cb -0.05 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.52 3kxw h ALA 53 CO -0.06 0.63 0.12 1.15 0.00 0.00 0.00 179.25 181.08 3kxw h THR 54 N 0.85 1.18 -0.47 0.00 2.02 -0.99 0.76 112.91 116.26 3kxw h THR 54 Ca 0.15 -0.57 0.04 0.00 0.77 0.00 0.00 66.41 66.80 3kxw h THR 54 Cb 0.53 1.00 -0.04 0.00 -1.74 0.00 0.00 68.15 67.90 3kxw h THR 54 CO 0.03 0.20 0.23 -0.07 0.37 0.00 0.00 175.52 176.27 3kxw h LEU 55 N 0.34 0.32 -0.69 2.58 3.38 -0.81 -0.38 115.31 120.04 3kxw h LEU 55 Ca 0.10 0.03 -0.03 0.00 0.09 0.00 0.00 57.88 58.07 3kxw h LEU 55 Cb 0.20 -0.03 -0.03 0.00 0.09 0.00 0.00 40.66 40.89 3kxw h LEU 55 CO -0.01 0.22 0.33 1.56 0.09 0.00 0.00 178.44 180.64 3kxw h GLN 56 N 0.45 1.00 0.00 1.13 4.20 -0.95 -1.40 115.11 119.55 3kxw h GLN 56 Ca 0.21 -0.15 -0.04 0.00 0.06 0.00 0.00 58.65 58.73 3kxw h GLN 56 Cb 0.13 -0.18 -0.01 0.00 0.30 0.00 0.00 27.48 27.73 3kxw h GLN 56 CO -0.16 0.80 -0.19 0.00 -0.67 0.00 0.00 178.83 178.61 3kxw h ALA 57 N 1.16 1.45 -0.36 3.87 0.00 -0.22 -1.97 119.26 123.18 3kxw h ALA 57 Ca 0.24 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.97 3kxw h ALA 57 Cb 0.13 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.89 3kxw h ALA 57 CO -0.03 0.24 0.00 0.39 0.00 0.00 0.00 179.25 179.85 3kxw n GLU 58 N -3.97 1.99 -0.17 0.00 -0.58 -0.21 -4.92 120.64 112.78 3kxw n GLU 58 Ca -0.02 -1.52 0.00 0.00 -0.42 0.00 0.00 57.16 55.20 3kxw n GLU 58 Cb 0.28 -1.38 0.00 0.00 -0.57 0.00 0.00 31.44 29.77 3kxw n GLU 58 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3kxw n GLY 59 N 1.22 0.64 3.76 0.62 0.00 -0.74 -5.06 105.19 105.63 3kxw n GLY 59 Ca 0.16 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.77 3kxw n GLY 59 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kxw s ALA 60 N -2.28 3.49 0.26 4.61 0.00 -0.57 -5.01 121.76 122.26 3kxw s ALA 60 Ca 0.00 1.13 0.12 0.00 0.00 0.00 0.00 51.96 53.21 3kxw s ALA 60 Cb 0.00 -3.45 -0.05 0.00 0.00 0.00 0.00 23.12 19.63 3kxw s ALA 60 CO 0.00 -0.50 -0.20 0.15 0.00 0.00 0.00 175.76 175.21 3kxw s LYS 61 N -1.16 1.66 0.17 0.00 -0.14 -1.26 -4.39 119.74 114.61 3kxw s LYS 61 Ca 0.50 -1.72 -0.34 0.00 -1.36 0.00 0.00 55.97 53.06 3kxw s LYS 61 Cb -0.37 -1.79 -0.14 0.00 -1.68 0.00 0.00 37.83 33.85 3kxw s LYS 61 CO 0.45 0.34 1.50 -2.30 -0.76 0.00 0.00 175.35 174.59 3kxw n PRO 62 N -0.46 1.97 0.00 -1.68 -0.02 -1.26 -1.37 135.00 132.18 3kxw n PRO 62 Ca -0.06 0.71 0.00 0.00 -2.02 0.00 0.00 63.50 62.12 3kxw n PRO 62 Cb 0.59 -2.43 0.00 0.00 -0.02 0.00 0.00 33.50 31.64 3kxw n PRO 62 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3kxw n GLY 63 N 3.03 2.97 3.76 -1.23 0.00 -0.37 -4.97 105.19 108.39 3kxw n GLY 63 Ca 0.16 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.81 3kxw n GLY 63 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3kxw s ASP 64 N -1.21 5.84 0.02 1.61 1.01 -0.47 -4.60 116.67 118.87 3kxw s ASP 64 Ca 0.00 2.43 -0.18 0.00 0.71 0.00 0.00 52.55 55.51 3kxw s ASP 64 Cb 0.00 -2.61 -0.06 0.00 1.01 0.00 0.00 42.92 41.26 3kxw s ASP 64 CO 0.00 -1.15 0.51 -0.13 0.21 0.00 0.00 175.17 174.61 3kxw s ARG 65 N -2.83 4.15 -0.18 8.23 3.00 -1.26 -0.32 118.95 129.74 3kxw s ARG 65 Ca 0.67 0.61 0.01 0.00 0.00 0.00 0.00 55.73 57.02 3kxw s ARG 65 Cb -0.32 -3.27 0.02 0.00 0.00 0.00 0.00 34.95 31.39 3kxw s ARG 65 CO 0.38 0.57 -0.18 0.08 0.00 0.00 0.00 175.30 176.14 3kxw s VAL 66 N -0.79 1.97 0.17 3.52 1.01 -0.46 -0.83 120.40 124.99 3kxw s VAL 66 Ca 0.27 -0.93 -0.30 0.00 0.00 0.00 0.00 61.98 61.03 3kxw s VAL 66 Cb -0.18 -1.81 -0.07 0.00 0.00 0.00 0.00 36.38 34.31 3kxw s VAL 66 CO 0.16 0.48 1.07 -0.22 0.00 0.00 0.00 175.10 176.59 3kxw s LEU 67 N 1.32 4.50 -0.31 3.92 2.96 -0.40 -0.85 118.68 129.81 3kxw s LEU 67 Ca 0.04 2.04 0.03 0.00 -0.22 0.00 0.00 54.13 56.02 3kxw s LEU 67 Cb -0.13 -3.60 0.08 0.00 0.50 0.00 0.00 46.19 43.03 3kxw s LEU 67 CO -0.12 -0.17 -0.01 -0.76 -1.32 0.00 0.00 176.35 173.96 3kxw s LEU 68 N -0.38 4.20 -0.51 -0.68 1.43 0.57 -1.15 118.68 122.17 3kxw s LEU 68 Ca 0.48 -1.80 -0.13 0.00 -1.03 0.00 0.00 54.13 51.66 3kxw s LEU 68 Cb -0.28 -1.61 0.13 0.00 0.03 0.00 0.00 46.19 44.46 3kxw s LEU 68 CO 0.34 -0.30 0.43 -0.22 0.23 0.00 0.00 176.35 176.83 3kxw s LEU 69 N 1.01 5.97 -0.07 1.79 0.20 -0.17 -1.26 118.68 126.14 3kxw s LEU 69 Ca 0.02 -1.88 -0.09 0.00 0.69 0.00 0.00 54.13 52.87 3kxw s LEU 69 Cb -0.20 -2.11 0.02 0.00 -0.43 0.00 0.00 46.19 43.47 3kxw s LEU 69 CO -0.06 -0.77 0.25 -0.36 -0.29 0.00 0.00 176.35 175.11 3kxw s PHE 70 N 1.44 -0.23 0.84 5.38 0.08 -1.23 -4.26 117.98 120.01 3kxw s PHE 70 Ca 0.05 0.54 -0.11 0.00 0.12 0.00 0.00 56.93 57.53 3kxw s PHE 70 Cb -0.28 0.08 0.10 0.00 -0.57 0.00 0.00 43.02 42.35 3kxw s PHE 70 CO 0.01 -0.18 1.09 0.00 -0.10 0.00 0.00 175.22 176.04 3kxw s ALA 71 N -0.20 1.86 0.49 5.36 0.00 -1.26 -4.32 121.76 123.68 3kxw s ALA 71 Ca -0.03 0.00 -0.22 0.00 0.00 0.00 0.00 51.96 51.71 3kxw s ALA 71 Cb -0.03 -3.20 -0.08 0.00 0.00 0.00 0.00 23.12 19.81 3kxw s ALA 71 CO 0.01 -2.08 1.02 -2.30 0.00 0.00 0.00 175.76 172.41 3kxw n PRO 72 N -3.70 1.26 -2.81 0.00 -0.02 -1.26 -4.60 135.00 123.87 3kxw n PRO 72 Ca 0.08 0.46 0.00 0.00 -2.02 0.00 0.00 63.50 62.02 3kxw n PRO 72 Cb 0.55 -2.12 0.00 0.00 -0.02 0.00 0.00 33.50 31.90 3kxw n PRO 72 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3kxw n GLY 73 N 1.18 -1.68 0.17 -1.23 0.00 -1.26 -4.94 105.19 97.44 3kxw n GLY 73 Ca 0.10 -1.51 -0.06 0.00 0.00 0.00 0.00 46.02 44.56 3kxw n GLY 73 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3kxw h LEU 74 N 0.00 0.30 -1.07 0.99 3.38 -1.96 -3.19 115.31 113.77 3kxw h LEU 74 Ca 0.00 -0.17 0.01 0.00 0.09 0.00 0.00 57.88 57.80 3kxw h LEU 74 Cb 0.00 -0.09 -0.05 0.00 0.09 0.00 0.00 40.66 40.62 3kxw h LEU 74 CO 0.00 0.84 0.63 -0.65 0.09 0.00 0.00 178.44 179.35 3kxw h PRO 75 N 0.20 1.25 -0.71 1.13 0.11 -1.92 -0.63 132.00 131.42 3kxw h PRO 75 Ca -0.01 -0.08 0.06 0.00 0.11 0.00 0.00 66.00 66.09 3kxw h PRO 75 Cb 1.12 -0.28 -0.06 0.00 0.11 0.00 0.00 31.00 31.89 3kxw h PRO 75 CO 0.10 0.83 0.40 1.25 -0.21 0.00 0.00 178.00 180.37 3kxw h LEU 76 N 1.29 0.60 -0.37 2.35 5.85 -1.80 -0.61 115.31 122.63 3kxw h LEU 76 Ca 0.35 0.03 -0.12 0.00 0.84 0.00 0.00 57.88 58.98 3kxw h LEU 76 Cb -0.15 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 40.78 3kxw h LEU 76 CO -0.08 0.38 -0.24 0.40 -0.34 0.00 0.00 178.44 178.57 3kxw h ILE 77 N 0.74 1.28 -0.60 4.05 2.04 -1.39 -0.61 117.51 123.02 3kxw h ILE 77 Ca 0.32 -1.38 0.00 0.00 1.00 0.00 0.00 64.86 64.80 3kxw h ILE 77 Cb 0.20 1.38 -0.03 0.00 -0.74 0.00 0.00 36.82 37.63 3kxw h ILE 77 CO -0.19 0.46 0.39 1.56 0.00 0.00 0.00 178.15 180.37 3kxw h GLN 78 N 0.60 0.79 -0.50 2.37 4.20 -0.91 -2.08 115.11 119.58 3kxw h GLN 78 Ca 0.07 -0.05 -0.10 0.00 0.06 0.00 0.00 58.65 58.63 3kxw h GLN 78 Cb 0.80 -0.18 -0.02 0.00 0.30 0.00 0.00 27.48 28.39 3kxw h GLN 78 CO 0.07 0.54 -0.08 0.00 -0.67 0.00 0.00 178.83 178.68 3kxw h ALA 79 N 1.21 0.69 -0.03 3.87 0.00 -0.86 0.27 119.26 124.41 3kxw h ALA 79 Ca 0.22 -0.33 0.00 0.00 0.00 0.00 0.00 54.91 54.80 3kxw h ALA 79 Cb -0.07 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 17.53 3kxw h ALA 79 CO -0.05 0.57 0.02 0.35 0.00 0.00 0.00 179.25 180.14 3kxw h PHE 80 N 0.81 0.03 -0.46 0.00 3.57 -1.00 0.19 116.94 120.08 3kxw h PHE 80 Ca 0.13 0.00 -0.10 0.00 3.53 0.00 0.00 57.97 61.54 3kxw h PHE 80 Cb 0.63 -0.01 -0.02 0.00 2.79 0.00 0.00 35.95 39.34 3kxw h PHE 80 CO 0.05 0.02 -0.11 -0.07 -2.23 0.00 0.00 178.31 175.97 3kxw h LEU 81 N 0.03 0.82 -1.08 0.59 3.38 -1.25 -2.28 115.31 115.53 3kxw h LEU 81 Ca 0.01 -0.25 0.05 0.00 0.09 0.00 0.00 57.88 57.78 3kxw h LEU 81 Cb -0.00 -0.22 -0.06 0.00 0.09 0.00 0.00 40.66 40.47 3kxw h LEU 81 CO -0.00 0.95 0.62 1.23 0.09 0.00 0.00 178.44 181.33 3kxw h GLY 82 N 0.97 1.41 0.94 0.83 0.00 -0.51 0.89 103.07 107.60 3kxw h GLY 82 Ca 0.12 -0.46 -0.00 0.00 0.00 0.00 0.00 47.33 46.99 3kxw h GLY 82 CO 0.04 0.35 0.10 0.00 0.00 0.00 0.00 176.54 177.04 3kxw h LEU 84 N 0.20 0.84 -2.24 0.00 3.38 -0.73 -1.01 115.31 115.76 3kxw h LEU 84 Ca 0.07 -0.08 -0.00 0.00 0.09 0.00 0.00 57.88 57.95 3kxw h LEU 84 Cb 0.07 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 40.61 3kxw h LEU 84 CO -0.01 0.68 -0.02 1.88 0.09 0.00 0.00 178.44 181.06 3kxw h TYR 85 N 0.93 0.00 -0.01 1.13 -1.99 -0.75 -0.65 116.97 115.64 3kxw h TYR 85 Ca 0.24 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.97 3kxw h TYR 85 Cb 0.01 0.00 0.00 0.00 2.00 0.00 0.00 36.73 38.74 3kxw h TYR 85 CO -0.01 0.02 -0.03 0.00 -0.00 0.00 0.00 178.16 178.14 3kxw n ALA 86 N -2.40 2.66 -1.14 3.88 0.00 -0.75 -4.51 120.51 118.24 3kxw n ALA 86 Ca -0.03 -0.37 -0.05 0.00 0.00 0.00 0.00 53.44 52.99 3kxw n ALA 86 Cb 0.10 -1.25 -0.02 0.00 0.00 0.00 0.00 19.45 18.28 3kxw n ALA 86 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3kxw n GLY 87 N 1.16 0.69 3.89 0.00 0.00 -0.25 -4.24 105.19 106.45 3kxw n GLY 87 Ca 0.19 -0.30 -0.29 0.00 0.00 0.00 0.00 46.02 45.62 3kxw n GLY 87 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kxw s ILE 89 N -2.31 4.73 0.26 0.00 1.01 0.56 -4.12 121.20 121.33 3kxw s ILE 89 Ca 0.48 0.47 -0.30 0.00 0.00 0.00 0.00 60.65 61.30 3kxw s ILE 89 Cb -0.10 -4.25 -0.09 0.00 0.01 0.00 0.00 42.46 38.03 3kxw s ILE 89 CO 0.33 -0.59 1.17 0.00 0.00 0.00 0.00 174.94 175.85 3kxw s ALA 90 N 3.09 3.44 -0.44 9.38 0.00 -0.92 -1.35 121.76 134.95 3kxw s ALA 90 Ca 0.28 0.98 0.02 0.00 0.00 0.00 0.00 51.96 53.24 3kxw s ALA 90 Cb -0.13 -3.39 0.14 0.00 0.00 0.00 0.00 23.12 19.74 3kxw s ALA 90 CO 0.20 -0.32 0.25 0.08 0.00 0.00 0.00 175.76 175.97 3kxw s VAL 91 N -0.77 1.31 0.19 0.00 1.01 -0.03 -0.91 120.40 121.19 3kxw s VAL 91 Ca 0.48 -2.55 -0.30 0.00 0.00 0.00 0.00 61.98 59.62 3kxw s VAL 91 Cb -0.34 -1.91 -0.08 0.00 0.00 0.00 0.00 36.38 34.05 3kxw s VAL 91 CO 0.42 -0.92 1.17 -2.84 0.00 0.00 0.00 175.10 172.93 3kxw s PRO 92 N 0.34 4.52 0.02 2.72 0.02 -1.26 -0.31 135.00 141.05 3kxw s PRO 92 Ca 0.19 1.84 0.01 0.00 0.02 0.00 0.00 61.00 63.06 3kxw s PRO 92 Cb -0.22 -3.24 -0.02 0.00 0.02 0.00 0.00 34.50 31.03 3kxw s PRO 92 CO -0.01 -0.04 -0.04 0.96 -0.33 0.00 0.00 177.00 177.54 3kxw s ILE 93 N -0.17 0.26 0.34 2.83 -4.36 -0.39 -4.84 121.20 114.88 3kxw s ILE 93 Ca 0.52 -0.82 -0.29 0.00 -0.26 0.00 0.00 60.65 59.79 3kxw s ILE 93 Cb -0.32 -0.35 -0.11 0.00 1.25 0.00 0.00 42.46 42.92 3kxw s ILE 93 CO 0.37 -0.37 1.55 -0.31 0.24 0.00 0.00 174.94 176.42 3kxw s TYR 94 N -1.19 2.63 0.23 1.37 2.02 -1.26 -3.52 117.35 117.62 3kxw s TYR 94 Ca -0.11 0.98 -0.32 0.00 -0.37 0.00 0.00 57.07 57.25 3kxw s TYR 94 Cb -0.08 -4.07 -0.13 0.00 -0.40 0.00 0.00 41.96 37.27 3kxw s TYR 94 CO -0.00 -3.35 1.45 -2.30 -1.57 0.00 0.00 175.55 169.78 3kxw n PRO 95 N 1.19 2.10 -1.55 -1.71 -0.02 -1.26 -4.81 135.00 128.93 3kxw n PRO 95 Ca 0.04 0.75 -0.41 0.00 -2.02 0.00 0.00 63.50 61.87 3kxw n PRO 95 Cb 0.38 -2.44 -0.01 0.00 -0.02 0.00 0.00 33.50 31.41 3kxw n PRO 95 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 3kxw n PRO 96 N 2.29 3.32 0.22 0.52 -0.04 -1.26 -4.70 135.00 135.36 3kxw n PRO 96 Ca 0.12 -2.46 0.11 0.00 -0.04 0.00 0.00 63.50 61.23 3kxw n PRO 96 Cb 0.31 -3.03 0.38 0.00 -0.04 0.00 0.00 33.50 31.12 3kxw n PRO 96 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3kxw h ALA 97 N 5.48 0.96 -2.58 0.55 0.00 -1.88 -3.40 119.26 118.39 3kxw h ALA 97 Ca 0.72 -0.16 -0.45 0.00 0.00 0.00 0.00 54.91 55.01 3kxw h ALA 97 Cb 0.46 -0.03 -0.13 0.00 0.00 0.00 0.00 17.79 18.09 3kxw h ALA 97 CO 1.83 0.22 -0.52 -0.65 0.00 0.00 0.00 179.25 180.13 3kxw s GLN 98 N -3.46 1.70 0.13 0.00 -1.52 -1.26 -5.03 119.66 110.21 3kxw s GLN 98 Ca 0.02 -1.99 -0.25 0.00 -1.95 0.00 0.00 55.36 51.20 3kxw s GLN 98 Cb 0.08 0.10 -0.04 0.00 -0.22 0.00 0.00 33.01 32.94 3kxw s GLN 98 CO 0.64 -0.57 1.64 0.93 -0.25 0.00 0.00 175.29 177.69 3kxw h GLU 99 N 2.14 -0.35 -0.48 2.91 3.07 -1.97 -0.81 114.58 119.09 3kxw h GLU 99 Ca -0.29 0.02 -0.13 0.00 -0.50 0.00 0.00 59.36 58.46 3kxw h GLU 99 Cb 1.24 0.08 -0.01 0.00 -0.84 0.00 0.00 28.75 29.22 3kxw h GLU 99 CO 0.44 -0.23 -0.22 -0.22 -1.40 0.00 0.00 179.01 177.37 3kxw h LYS 100 N -0.36 1.00 0.00 2.33 1.63 -1.97 -0.85 116.57 118.35 3kxw h LYS 100 Ca 0.07 -0.43 -0.01 0.00 -0.85 0.00 0.00 60.65 59.43 3kxw h LYS 100 Cb 0.46 -0.03 -0.00 0.00 -0.60 0.00 0.00 32.23 32.06 3kxw h LYS 100 CO -0.24 1.11 -0.03 -0.07 -3.45 0.00 0.00 179.45 176.77 3kxw h LEU 101 N 0.85 0.00 0.24 5.20 3.38 -1.67 -0.54 115.31 122.77 3kxw h LEU 101 Ca 0.11 0.00 -0.33 0.00 0.09 0.00 0.00 57.88 57.74 3kxw h LEU 101 Cb 0.81 0.00 0.04 0.00 0.09 0.00 0.00 40.66 41.59 3kxw h LEU 101 CO 0.07 0.03 -1.46 0.25 0.09 0.00 0.00 178.44 177.42 3kxw h LEU 102 N 0.00 0.84 -0.51 1.67 5.85 -0.54 -2.10 115.31 120.51 3kxw h LEU 102 Ca -0.00 -0.89 0.04 0.00 0.84 0.00 0.00 57.88 57.87 3kxw h LEU 102 Cb 0.06 -0.27 -0.04 0.00 0.37 0.00 0.00 40.66 40.78 3kxw h LEU 102 CO 0.00 1.69 0.28 -0.78 -0.34 0.00 0.00 178.44 179.29 3kxw h ASP 103 N 0.15 0.41 -0.46 1.25 3.58 -0.89 -0.50 116.42 119.97 3kxw h ASP 103 Ca -0.25 0.02 -0.01 0.00 0.42 0.00 0.00 57.03 57.22 3kxw h ASP 103 Cb 2.15 -0.06 -0.02 0.00 1.72 0.00 0.00 39.33 43.12 3kxw h ASP 103 CO 0.27 0.29 0.26 0.50 -2.88 0.00 0.00 179.24 177.68 3kxw h LYS 104 N 0.54 0.63 -0.50 0.28 3.64 -1.12 -1.33 116.57 118.71 3kxw h LYS 104 Ca 0.22 -0.07 0.02 0.00 -1.27 0.00 0.00 60.65 59.56 3kxw h LYS 104 Cb 0.10 -0.13 -0.03 0.00 -0.41 0.00 0.00 32.23 31.76 3kxw h LYS 104 CO -0.14 0.49 0.29 0.00 -2.27 0.00 0.00 179.45 177.82 3kxw h ALA 105 N 1.11 0.63 -0.87 5.00 0.00 -1.07 -0.87 119.26 123.19 3kxw h ALA 105 Ca 0.16 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.04 3kxw h ALA 105 Cb 0.03 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 17.65 3kxw h ALA 105 CO -0.03 -0.01 0.45 0.37 0.00 0.00 0.00 179.25 180.03 3kxw h GLN 106 N 0.58 1.23 -0.22 0.00 5.75 -0.78 0.13 115.11 121.80 3kxw h GLN 106 Ca 0.20 -0.16 -0.09 0.00 -0.15 0.00 0.00 58.65 58.45 3kxw h GLN 106 Cb 0.03 -0.23 -0.01 0.00 1.07 0.00 0.00 27.48 28.33 3kxw h GLN 106 CO -0.10 0.92 -0.25 0.00 -2.65 0.00 0.00 178.83 176.75 3kxw h ARG 107 N 1.23 0.41 -0.29 1.69 3.08 -0.81 -1.22 114.38 118.48 3kxw h ARG 107 Ca 0.30 -0.15 -0.15 0.00 0.07 0.00 0.00 59.98 60.05 3kxw h ARG 107 Cb 0.07 -0.03 -0.00 0.00 0.08 0.00 0.00 29.97 30.09 3kxw h ARG 107 CO -0.04 0.64 -0.42 0.82 -1.07 0.00 0.00 179.97 179.89 3kxw h ILE 108 N 0.36 1.29 -0.62 2.04 2.04 -0.64 -2.08 117.51 119.90 3kxw h ILE 108 Ca 0.05 -1.61 0.01 0.00 1.00 0.00 0.00 64.86 64.31 3kxw h ILE 108 Cb 0.64 1.62 -0.03 0.00 -0.74 0.00 0.00 36.82 38.32 3kxw h ILE 108 CO 0.05 0.52 0.41 0.58 0.00 0.00 0.00 178.15 179.71 3kxw h VAL 109 N 0.55 1.16 -0.75 1.67 2.07 -0.81 0.14 116.25 120.27 3kxw h VAL 109 Ca 0.03 -0.29 -0.06 0.00 0.82 0.00 0.00 66.70 67.20 3kxw h VAL 109 Cb 1.01 0.24 -0.03 0.00 -1.52 0.00 0.00 31.29 30.99 3kxw h VAL 109 CO 0.10 0.15 0.24 0.74 0.02 0.00 0.00 177.57 178.82 3kxw h THR 110 N 0.85 1.26 0.03 2.57 2.02 -1.14 -0.48 112.91 118.03 3kxw h THR 110 Ca 0.23 -0.90 -0.00 0.00 0.77 0.00 0.00 66.41 66.50 3kxw h THR 110 Cb -0.10 0.42 0.00 0.00 -1.74 0.00 0.00 68.15 66.73 3kxw h THR 110 CO -0.05 0.36 -0.02 -1.13 0.37 0.00 0.00 175.52 175.05 3kxw h ASN 111 N 1.12 -0.04 1.09 4.18 -1.24 -1.12 -3.36 115.58 116.21 3kxw h ASN 111 Ca 0.24 -0.46 0.00 0.00 0.71 0.00 0.00 56.30 56.79 3kxw h ASN 111 Cb 0.30 0.01 0.00 0.00 0.73 0.00 0.00 38.32 39.36 3kxw h ASN 111 CO -0.01 0.45 -0.77 0.77 -1.29 0.00 0.00 177.43 176.58 3kxw h SER 112 N -0.54 0.00 -6.60 1.15 4.64 -0.95 -3.47 113.55 107.79 3kxw h SER 112 Ca -0.00 -0.06 -0.52 0.00 -0.47 0.00 0.00 61.79 60.74 3kxw h SER 112 Cb 0.50 0.00 0.03 0.00 -0.31 0.00 0.00 62.40 62.61 3kxw h SER 112 CO 0.01 0.03 -0.97 0.29 -0.87 0.00 0.00 176.83 175.31 3kxw n LYS 113 N -2.57 -0.85 -1.79 4.77 5.02 -0.19 -4.72 118.16 117.83 3kxw n LYS 113 Ca 0.01 0.26 -0.33 0.00 -2.02 0.00 0.00 58.31 56.24 3kxw n LYS 113 Cb 0.52 -3.38 0.04 0.00 -0.02 0.00 0.00 35.03 32.19 3kxw n LYS 113 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 3kxw s PRO 114 N -6.73 2.86 0.03 1.97 0.04 -1.26 -4.66 135.00 127.25 3kxw s PRO 114 Ca 0.45 1.37 0.17 0.00 0.04 0.00 0.00 61.00 63.03 3kxw s PRO 114 Cb -0.21 -1.96 -0.16 0.00 0.04 0.00 0.00 34.50 32.21 3kxw s PRO 114 CO 0.92 -1.20 0.73 1.33 0.04 0.00 0.00 177.00 178.82 3kxw n VAL 115 N -2.37 1.17 -3.86 -0.36 0.24 -0.01 -4.93 118.33 108.20 3kxw n VAL 115 Ca 0.10 -0.70 -0.11 0.00 -2.04 0.00 0.00 64.34 61.59 3kxw n VAL 115 Cb 0.52 -0.70 -0.11 0.00 -1.47 0.00 0.00 33.84 32.09 3kxw n VAL 115 CO 0.00 0.00 0.00 -0.63 -2.14 0.00 0.00 176.83 174.06 3kxw s ILE 116 N -2.90 0.07 -0.08 1.34 -1.09 -1.26 -4.26 121.20 113.02 3kxw s ILE 116 Ca -0.04 -0.54 0.05 0.00 -2.23 0.00 0.00 60.65 57.89 3kxw s ILE 116 Cb 0.09 -0.38 -0.01 0.00 -1.58 0.00 0.00 42.46 40.58 3kxw s ILE 116 CO 0.82 -0.30 -0.24 0.54 -1.23 0.00 0.00 174.94 174.53 3kxw s VAL 117 N -1.05 2.08 0.20 2.92 0.11 -0.10 -1.28 120.40 123.29 3kxw s VAL 117 Ca -0.11 -1.04 0.04 0.00 -2.93 0.00 0.00 61.98 57.94 3kxw s VAL 117 Cb -0.06 -1.77 -0.03 0.00 -1.53 0.00 0.00 36.38 32.99 3kxw s VAL 117 CO 0.01 0.57 0.27 -0.76 -3.33 0.00 0.00 175.10 171.86 3kxw s LEU 118 N 0.04 4.17 0.39 2.54 1.43 -0.30 -1.21 118.68 125.75 3kxw s LEU 118 Ca -0.10 0.03 -0.05 0.00 -1.03 0.00 0.00 54.13 52.98 3kxw s LEU 118 Cb -0.15 -2.73 -0.05 0.00 0.03 0.00 0.00 46.19 43.29 3kxw s LEU 118 CO 0.06 -0.00 0.68 0.27 0.23 0.00 0.00 176.35 177.59 3kxw s ILE 120 N -1.89 4.94 0.24 -0.59 -4.36 -1.26 -1.00 121.20 117.28 3kxw s ILE 120 Ca 0.34 0.15 -0.05 0.00 -0.26 0.00 0.00 60.65 60.83 3kxw s ILE 120 Cb -0.10 -3.80 0.20 0.00 1.25 0.00 0.00 42.46 40.02 3kxw s ILE 120 CO 0.27 -0.59 1.74 0.00 0.24 0.00 0.00 174.94 176.61 3kxw h ALA 121 N 0.94 1.02 -0.89 2.27 0.00 -1.93 0.26 119.26 120.93 3kxw h ALA 121 Ca -0.48 0.10 0.19 0.00 0.00 0.00 0.00 54.91 54.72 3kxw h ALA 121 Cb 1.20 0.05 -0.07 0.00 0.00 0.00 0.00 17.79 18.97 3kxw h ALA 121 CO 0.63 -0.17 0.59 -0.44 0.00 0.00 0.00 179.25 179.86 3kxw h ASP 122 N 0.48 0.45 1.19 0.00 3.32 -2.03 -2.26 116.42 117.57 3kxw h ASP 122 Ca 0.39 0.04 -0.14 0.00 0.02 0.00 0.00 57.03 57.34 3kxw h ASP 122 Cb 0.55 -0.04 -0.02 0.00 0.22 0.00 0.00 39.33 40.04 3kxw h ASP 122 CO -0.36 0.19 -0.85 0.45 -1.72 0.00 0.00 179.24 176.95 3kxw h HIS 123 N 0.45 0.00 -0.10 4.55 3.86 -0.93 -2.37 115.15 120.60 3kxw h HIS 123 Ca 0.46 0.00 -0.06 0.00 -1.16 0.00 0.00 60.37 59.62 3kxw h HIS 123 Cb 1.08 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 29.54 3kxw h HIS 123 CO -0.00 0.60 -0.19 -0.84 0.86 0.00 0.00 177.93 178.35 3kxw h ILE 124 N 0.00 1.19 -0.17 2.45 -0.00 -0.97 0.35 117.51 120.37 3kxw h ILE 124 Ca -0.06 -0.89 -0.11 0.00 -0.00 0.00 0.00 64.86 63.81 3kxw h ILE 124 Cb 1.50 1.33 0.00 0.00 -0.00 0.00 0.00 36.82 39.66 3kxw h ILE 124 CO 0.07 0.27 -0.31 0.11 -0.00 0.00 0.00 178.15 178.29 3kxw h LYS 125 N 0.16 0.50 -0.12 0.16 1.57 -1.39 -2.17 116.57 115.30 3kxw h LYS 125 Ca 0.03 -0.32 -0.19 0.00 -1.87 0.00 0.00 60.65 58.30 3kxw h LYS 125 Cb 0.44 0.04 -0.00 0.00 0.08 0.00 0.00 32.23 32.79 3kxw h LYS 125 CO 0.03 0.92 -0.70 -0.22 -0.57 0.00 0.00 179.45 178.91 3kxw h LYS 126 N 0.14 0.53 -0.01 3.15 3.64 -1.08 -3.36 116.57 119.58 3kxw h LYS 126 Ca 0.01 -0.41 0.00 0.00 -1.27 0.00 0.00 60.65 58.98 3kxw h LYS 126 Cb 0.90 0.08 0.00 0.00 -0.41 0.00 0.00 32.23 32.80 3kxw h LYS 126 CO 0.07 1.03 -0.33 1.19 -2.27 0.00 0.00 179.45 179.15 3kxw n PHE 127 N -3.88 0.00 -4.67 1.91 3.01 0.12 -5.01 117.46 108.93 3kxw n PHE 127 Ca -0.05 0.00 -0.29 0.00 1.01 0.00 0.00 57.45 58.12 3kxw n PHE 127 Cb 0.70 0.00 -0.06 0.00 -0.01 0.00 0.00 39.48 40.10 3kxw n PHE 127 CO 0.00 0.00 0.00 0.25 1.01 0.00 0.00 176.76 178.02 3kxw n THR 128 N -0.43 0.00 0.00 4.37 -2.24 -0.81 -4.78 114.28 110.38 3kxw n THR 128 Ca 0.05 -2.16 0.00 0.00 -2.27 0.00 0.00 64.05 59.66 3kxw n THR 128 Cb 0.25 0.45 0.00 0.00 -2.10 0.00 0.00 70.33 68.93 3kxw n THR 128 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3kxw n ALA 129 N -1.53 -0.01 -0.23 6.98 0.00 -1.26 -4.80 120.51 119.66 3kxw n ALA 129 Ca -0.19 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.16 3kxw n ALA 129 Cb 0.58 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 20.01 3kxw n ALA 129 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 3kxw n ASN 135 N -0.53 0.15 -4.76 0.00 0.23 -1.26 -4.96 115.26 104.14 3kxw n ASN 135 Ca 0.00 0.15 -0.37 0.00 -0.53 0.00 0.00 54.58 53.82 3kxw n ASN 135 Cb 0.00 -0.13 0.02 0.00 -2.08 0.00 0.00 39.78 37.59 3kxw n ASN 135 CO 0.00 0.00 0.00 -2.84 -0.93 0.00 0.00 177.26 173.49 3kxw s PRO 136 N 0.60 3.30 0.00 -0.53 0.02 -1.26 -4.93 135.00 132.21 3kxw s PRO 136 Ca 0.16 1.99 0.01 0.00 0.02 0.00 0.00 61.00 63.18 3kxw s PRO 136 Cb -0.22 -2.23 -0.00 0.00 0.02 0.00 0.00 34.50 32.06 3kxw s PRO 136 CO 0.11 -0.98 -0.04 0.15 -0.33 0.00 0.00 177.00 175.91 3kxw s LYS 137 N -2.93 0.28 -0.21 5.54 1.02 -1.26 -1.51 119.74 120.67 3kxw s LYS 137 Ca 0.70 -0.17 -0.03 0.00 0.02 0.00 0.00 55.97 56.49 3kxw s LYS 137 Cb -0.34 -0.25 -0.00 0.00 -0.52 0.00 0.00 37.83 36.72 3kxw s LYS 137 CO 0.40 0.07 -0.08 0.12 -0.92 0.00 0.00 175.35 174.93 3kxw s PHE 138 N -0.20 2.91 -1.50 3.18 5.36 -0.08 -4.21 117.98 123.45 3kxw s PHE 138 Ca -0.00 -1.10 -0.02 0.00 -0.96 0.00 0.00 56.93 54.85 3kxw s PHE 138 Cb -0.02 -2.06 0.00 0.00 -0.34 0.00 0.00 43.02 40.60 3kxw s PHE 138 CO -0.00 -0.60 0.13 1.28 -1.46 0.00 0.00 175.22 174.57 3kxw n LEU 139 N 4.73 -1.21 0.00 6.12 4.77 -1.26 -0.53 117.00 129.63 3kxw n LEU 139 Ca -0.19 -1.22 0.00 0.00 -0.03 0.00 0.00 56.01 54.57 3kxw n LEU 139 Cb 0.51 -1.73 0.00 0.00 -2.33 0.00 0.00 43.42 39.86 3kxw n LEU 139 CO 0.28 0.48 0.00 0.29 -1.33 0.00 0.00 177.39 177.11 3kxw n LYS 140 N -4.57 -0.39 -3.68 3.23 5.02 -1.26 -5.00 118.16 111.51 3kxw n LYS 140 Ca -0.31 0.10 -0.36 0.00 -2.02 0.00 0.00 58.31 55.72 3kxw n LYS 140 Cb 0.69 -3.61 -0.08 0.00 -0.02 0.00 0.00 35.03 32.01 3kxw n LYS 140 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 3kxw s ILE 141 N -2.18 5.38 0.24 -0.18 -1.09 0.31 -5.03 121.20 118.65 3kxw s ILE 141 Ca 0.00 0.25 -0.31 0.00 -2.23 0.00 0.00 60.65 58.35 3kxw s ILE 141 Cb 0.00 -3.51 -0.13 0.00 -1.58 0.00 0.00 42.46 37.25 3kxw s ILE 141 CO 0.00 0.40 1.51 -2.65 -1.23 0.00 0.00 174.94 172.97 3kxw n PRO 142 N 3.77 2.29 -4.25 2.79 -0.02 -1.26 -0.90 135.00 137.42 3kxw n PRO 142 Ca -0.15 0.82 -0.30 0.00 -2.02 0.00 0.00 63.50 61.85 3kxw n PRO 142 Cb 0.52 -2.54 -0.10 0.00 -0.02 0.00 0.00 33.50 31.36 3kxw n PRO 142 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3kxw s ALA 143 N 0.20 2.89 -0.03 3.55 0.00 -0.57 -0.92 121.76 126.88 3kxw s ALA 143 Ca 0.69 -1.27 -0.00 0.00 0.00 0.00 0.00 51.96 51.38 3kxw s ALA 143 Cb -0.60 -0.84 0.03 0.00 0.00 0.00 0.00 23.12 21.71 3kxw s ALA 143 CO 0.46 0.63 0.02 0.42 0.00 0.00 0.00 175.76 177.29 3kxw s ILE 144 N -1.20 0.10 0.03 0.00 1.01 -0.35 -4.62 121.20 116.17 3kxw s ILE 144 Ca 0.21 0.17 -0.30 0.00 0.00 0.00 0.00 60.65 60.72 3kxw s ILE 144 Cb -0.11 -0.23 -0.05 0.00 0.01 0.00 0.00 42.46 42.08 3kxw s ILE 144 CO 0.13 0.15 1.20 0.00 0.00 0.00 0.00 174.94 176.42 3kxw s ALA 145 N 1.28 3.42 0.32 9.38 0.00 -1.26 -4.38 121.76 130.51 3kxw s ALA 145 Ca -0.06 0.79 0.01 0.00 0.00 0.00 0.00 51.96 52.70 3kxw s ALA 145 Cb -0.13 -3.47 0.53 0.00 0.00 0.00 0.00 23.12 20.05 3kxw s ALA 145 CO -0.02 -0.53 1.92 1.25 0.00 0.00 0.00 175.76 178.38 3kxw h LEU 146 N 7.20 0.74 -2.25 0.00 5.85 -1.95 -1.18 115.31 123.72 3kxw h LEU 146 Ca -0.40 -0.07 0.00 0.00 0.84 0.00 0.00 57.88 58.25 3kxw h LEU 146 Cb 1.20 -0.19 0.00 0.00 0.37 0.00 0.00 40.66 42.04 3kxw h LEU 146 CO 0.83 0.63 0.03 -0.33 -0.34 0.00 0.00 178.44 179.26 3kxw h GLU 147 N 0.82 0.00 0.00 1.25 3.07 -1.95 -0.51 114.58 117.25 3kxw h GLU 147 Ca 0.20 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.06 3kxw h GLU 147 Cb 0.09 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.00 3kxw h GLU 147 CO -0.03 0.00 0.00 -1.13 -1.40 0.00 0.00 179.01 176.45 3kxw n SER 148 N -2.71 0.15 -4.55 1.42 3.41 -0.44 -4.70 113.62 106.20 3kxw n SER 148 Ca -0.02 0.52 -0.42 0.00 -0.26 0.00 0.00 58.87 58.69 3kxw n SER 148 Cb 0.08 -0.56 -0.07 0.00 -0.26 0.00 0.00 64.21 63.40 3kxw n SER 148 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 3kxw s ILE 149 N -3.04 4.86 0.11 -1.33 1.01 -0.20 -5.05 121.20 117.56 3kxw s ILE 149 Ca 0.11 0.44 -0.06 0.00 0.00 0.00 0.00 60.65 61.13 3kxw s ILE 149 Cb 0.14 -4.13 -0.06 0.00 0.01 0.00 0.00 42.46 38.43 3kxw s ILE 149 CO 0.44 -0.42 0.37 -1.61 0.00 0.00 0.00 174.94 173.73 3kxw s GLU 150 N 2.78 3.65 0.63 2.79 0.41 -1.26 -4.99 118.70 122.72 3kxw s GLU 150 Ca 0.24 -0.01 0.42 0.00 -0.41 0.00 0.00 54.97 55.21 3kxw s GLU 150 Cb -0.14 -2.91 2.18 0.00 -1.78 0.00 0.00 34.13 31.48 3kxw s GLU 150 CO 0.17 0.51 2.27 -0.07 -0.49 0.00 0.00 175.26 177.64 3kxw h LEU 151 N 3.17 0.00 0.00 1.80 3.38 -1.97 -1.18 115.31 120.51 3kxw h LEU 151 Ca -0.47 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.50 3kxw h LEU 151 Cb 1.18 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.93 3kxw h LEU 151 CO 0.70 0.00 0.00 -0.46 0.09 0.00 0.00 178.44 178.77 3kxw n ASN 152 N -3.04 0.00 0.07 -0.43 0.23 -1.26 -1.70 115.26 109.12 3kxw n ASN 152 Ca -0.02 -0.04 0.12 0.00 -0.53 0.00 0.00 54.58 54.10 3kxw n ASN 152 Cb 0.12 -0.20 0.10 0.00 -2.08 0.00 0.00 39.78 37.72 3kxw n ASN 152 CO 0.00 0.00 0.00 0.03 -0.93 0.00 0.00 177.26 176.36 3kxw h ARG 153 N 0.00 0.00 -0.72 -3.83 2.47 -1.56 -3.41 114.38 107.34 3kxw h ARG 153 Ca 0.00 0.00 0.16 0.00 -1.26 0.00 0.00 59.98 58.88 3kxw h ARG 153 Cb 0.08 0.00 -0.11 0.00 -1.65 0.00 0.00 29.97 28.29 3kxw h ARG 153 CO 0.00 0.00 0.13 0.77 0.56 0.00 0.00 179.97 181.43 3kxw h SER 154 N 0.00 -0.07 0.59 7.04 0.02 -1.51 0.15 113.55 119.76 3kxw h SER 154 Ca 0.00 0.15 0.00 0.00 -0.84 0.00 0.00 61.79 61.10 3kxw h SER 154 Cb 0.82 0.23 0.00 0.00 0.14 0.00 0.00 62.40 63.58 3kxw h SER 154 CO 0.00 -0.07 0.00 -1.54 -1.14 0.00 0.00 176.83 174.08 3kxw n SER 155 N -5.20 0.00 -0.10 3.07 3.41 -1.26 -1.86 113.62 111.68 3kxw n SER 155 Ca 0.13 0.43 0.14 0.00 -0.26 0.00 0.00 58.87 59.32 3kxw n SER 155 Cb 0.45 -0.47 0.60 0.00 -0.26 0.00 0.00 64.21 64.53 3kxw n SER 155 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 3kxw n SER 156 N -1.47 0.42 -4.75 4.04 7.64 0.53 -4.92 113.62 115.10 3kxw n SER 156 Ca 0.05 -0.46 -0.41 0.00 1.01 0.00 0.00 58.87 59.05 3kxw n SER 156 Cb 0.20 -0.09 -0.02 0.00 -1.01 0.00 0.00 64.21 63.29 3kxw n SER 156 CO 0.00 0.00 0.00 0.86 -3.01 0.00 0.00 175.04 172.89 3kxw s TRP 157 N -2.54 2.93 -0.32 1.43 -0.00 -0.78 -4.89 118.94 114.77 3kxw s TRP 157 Ca 0.27 1.08 -0.06 0.00 -0.00 0.00 0.00 56.10 57.39 3kxw s TRP 157 Cb 0.20 -3.86 0.03 0.00 -0.00 0.00 0.00 33.47 29.84 3kxw s TRP 157 CO 0.49 -2.69 0.09 -0.65 -0.00 0.00 0.00 176.95 174.19 3kxw s GLN 158 N -0.88 2.74 0.35 5.86 -1.52 -1.26 -5.04 119.66 119.91 3kxw s GLN 158 Ca 0.57 -1.09 -0.27 0.00 -1.95 0.00 0.00 55.36 52.61 3kxw s GLN 158 Cb -0.43 -3.41 -0.12 0.00 -0.22 0.00 0.00 33.01 28.83 3kxw s GLN 158 CO 0.48 -0.60 1.19 -2.30 -0.25 0.00 0.00 175.29 173.81 3kxw n PRO 159 N 4.81 1.83 -3.38 2.91 -0.02 -1.26 -4.96 135.00 134.93 3kxw n PRO 159 Ca -0.13 0.65 -0.20 0.00 -2.02 0.00 0.00 63.50 61.79 3kxw n PRO 159 Cb 0.45 -2.19 -0.01 0.00 -0.02 0.00 0.00 33.50 31.74 3kxw n PRO 159 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 3kxw s THR 160 N -1.12 2.59 -0.93 3.45 -4.23 -1.26 -5.05 115.64 109.08 3kxw s THR 160 Ca 0.58 -1.22 -0.14 0.00 -1.18 0.00 0.00 61.69 59.72 3kxw s THR 160 Cb -0.59 -2.81 0.21 0.00 1.34 0.00 0.00 72.50 70.65 3kxw s THR 160 CO 0.61 0.00 0.96 -0.44 -0.54 0.00 0.00 174.62 175.20 3kxw s SER 161 N -4.27 6.85 0.01 3.99 0.01 -1.26 -5.02 113.70 114.01 3kxw s SER 161 Ca 0.50 -2.72 -0.30 0.00 1.31 0.00 0.00 55.95 54.74 3kxw s SER 161 Cb -0.05 -2.27 -0.05 0.00 0.21 0.00 0.00 66.02 63.86 3kxw s SER 161 CO 0.30 -0.65 1.22 -0.63 0.41 0.00 0.00 173.24 173.89 3kxw s ILE 162 N 0.61 4.09 0.09 1.44 1.01 -1.26 -5.04 121.20 122.14 3kxw s ILE 162 Ca 0.25 1.47 0.03 0.00 0.00 0.00 0.00 60.65 62.40 3kxw s ILE 162 Cb -0.08 -3.94 -0.04 0.00 0.01 0.00 0.00 42.46 38.40 3kxw s ILE 162 CO -0.08 0.06 0.14 -0.54 0.00 0.00 0.00 174.94 174.52 3kxw s LYS 163 N 1.61 3.07 0.25 2.79 1.02 -1.26 -4.97 119.74 122.26 3kxw s LYS 163 Ca 0.58 -0.65 -0.05 0.00 0.02 0.00 0.00 55.97 55.88 3kxw s LYS 163 Cb -0.28 -2.81 0.50 0.00 -0.52 0.00 0.00 37.83 34.72 3kxw s LYS 163 CO 0.26 0.56 1.65 0.77 -0.92 0.00 0.00 175.35 177.67 3kxw h SER 164 N 3.00 -0.19 0.54 2.83 0.02 -1.96 -1.00 113.55 116.79 3kxw h SER 164 Ca -0.47 0.18 0.00 0.00 -0.84 0.00 0.00 61.79 60.67 3kxw h SER 164 Cb 1.17 0.29 0.00 0.00 0.14 0.00 0.00 62.40 64.01 3kxw h SER 164 CO 0.68 -0.14 -0.09 0.59 -1.14 0.00 0.00 176.83 176.72 3kxw n ASN 165 N -5.28 0.26 -4.77 3.07 3.02 -1.26 -0.92 115.26 109.38 3kxw n ASN 165 Ca 0.15 -0.24 -0.40 0.00 -0.03 0.00 0.00 54.58 54.06 3kxw n ASN 165 Cb 0.52 -0.18 0.01 0.00 -0.61 0.00 0.00 39.78 39.52 3kxw n ASN 165 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 3kxw n ASP 166 N -1.19 3.56 -4.72 6.41 8.00 -0.38 -4.75 116.55 123.49 3kxw n ASP 166 Ca 0.12 1.17 -0.42 0.00 0.71 0.00 0.00 54.79 56.38 3kxw n ASP 166 Cb 0.28 -1.61 -0.03 0.00 -0.02 0.00 0.00 41.12 39.74 3kxw n ASP 166 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3kxw s ILE 167 N -1.16 3.67 -0.19 0.53 -1.09 -1.26 -1.27 121.20 120.44 3kxw s ILE 167 Ca 0.57 1.26 -0.07 0.00 -2.23 0.00 0.00 60.65 60.19 3kxw s ILE 167 Cb -0.46 -3.81 -0.21 0.00 -1.58 0.00 0.00 42.46 36.40 3kxw s ILE 167 CO 0.61 0.13 0.10 0.00 -1.23 0.00 0.00 174.94 174.55 3kxw n ALA 168 N 3.45 1.07 -3.46 9.38 0.00 0.53 -4.64 120.51 126.85 3kxw n ALA 168 Ca 0.08 -0.78 -0.12 0.00 0.00 0.00 0.00 53.44 52.63 3kxw n ALA 168 Cb 0.45 -0.42 -0.02 0.00 0.00 0.00 0.00 19.45 19.46 3kxw n ALA 168 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.50 176.91 3kxw s PHE 169 N -2.52 -0.51 -0.21 0.00 -0.12 -1.10 -2.18 117.98 111.34 3kxw s PHE 169 Ca -0.28 0.27 -0.09 0.00 -0.05 0.00 0.00 56.93 56.78 3kxw s PHE 169 Cb 0.08 0.57 -0.04 0.00 -0.63 0.00 0.00 43.02 43.00 3kxw s PHE 169 CO 0.67 -0.88 0.11 -0.51 -0.05 0.00 0.00 175.22 174.56 3kxw s LEU 170 N -2.77 3.96 -0.27 -1.99 1.43 -0.09 -1.84 118.68 117.11 3kxw s LEU 170 Ca 0.02 0.09 -0.06 0.00 -1.03 0.00 0.00 54.13 53.15 3kxw s LEU 170 Cb -0.01 -2.04 0.00 0.00 0.03 0.00 0.00 46.19 44.17 3kxw s LEU 170 CO -0.11 0.11 0.04 0.00 0.23 0.00 0.00 176.35 176.62 3kxw s GLN 171 N 0.77 3.17 -0.01 1.70 -2.07 -0.48 -4.40 119.66 118.34 3kxw s GLN 171 Ca 0.06 -0.79 -0.27 0.00 -1.82 0.00 0.00 55.36 52.54 3kxw s GLN 171 Cb -0.13 -3.25 -0.04 0.00 -1.09 0.00 0.00 33.01 28.50 3kxw s GLN 171 CO 0.02 -0.37 0.85 0.71 -1.32 0.00 0.00 175.29 175.19 3kxw s TYR 172 N 1.48 3.66 0.60 9.60 2.02 -1.26 -0.91 117.35 132.53 3kxw s TYR 172 Ca 0.03 1.52 -0.03 0.00 -0.37 0.00 0.00 57.07 58.22 3kxw s TYR 172 Cb -0.16 -2.96 0.03 0.00 -0.40 0.00 0.00 41.96 38.47 3kxw s TYR 172 CO 0.01 0.08 0.87 0.95 -1.57 0.00 0.00 175.55 175.89 3kxw s THR 173 N 0.69 2.94 0.91 -0.71 -4.23 -0.87 -4.91 115.64 109.46 3kxw s THR 173 Ca 0.45 -0.36 -0.13 0.00 -1.18 0.00 0.00 61.69 60.46 3kxw s THR 173 Cb -0.20 -3.17 0.14 0.00 1.34 0.00 0.00 72.50 70.61 3kxw s THR 173 CO 0.24 -0.15 1.17 -0.94 -0.54 0.00 0.00 174.62 174.40 3kxw s SER 174 N -4.40 3.58 0.14 3.99 1.04 -1.26 -4.66 113.70 112.14 3kxw s SER 174 Ca 0.56 0.81 0.00 0.00 0.48 0.00 0.00 55.95 57.80 3kxw s SER 174 Cb -0.10 -1.27 0.00 0.00 0.10 0.00 0.00 66.02 64.74 3kxw s SER 174 CO 0.42 -2.49 0.00 0.61 0.98 0.00 0.00 173.24 172.76 3kxw n GLY 175 N -2.64 -2.01 4.31 7.32 0.00 -1.26 -4.89 105.19 106.02 3kxw n GLY 175 Ca 0.08 -1.39 -0.31 0.00 0.00 0.00 0.00 46.02 44.40 3kxw n GLY 175 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3kxw n SER 176 N -0.63 0.82 -0.92 1.61 7.64 -1.26 -4.75 113.62 116.13 3kxw n SER 176 Ca 0.00 -1.26 0.00 0.00 1.01 0.00 0.00 58.87 58.62 3kxw n SER 176 Cb 0.06 -1.57 0.00 0.00 -1.01 0.00 0.00 64.21 61.69 3kxw n SER 176 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 3kxw n THR 177 N -4.52 0.00 -1.17 0.44 -2.24 -1.26 -1.93 114.28 103.60 3kxw n THR 177 Ca -0.31 0.00 -0.05 0.00 -2.27 0.00 0.00 64.05 61.42 3kxw n THR 177 Cb 0.68 -0.37 -0.04 0.00 -2.10 0.00 0.00 70.33 68.50 3kxw n THR 177 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 3kxw n HIS 179 N 0.86 0.28 -1.65 4.78 -0.00 -1.26 -4.93 115.22 113.31 3kxw n HIS 179 Ca 0.00 -0.06 -0.44 0.00 -0.00 0.00 0.00 57.72 57.22 3kxw n HIS 179 Cb 0.00 -1.17 -0.01 0.00 -0.00 0.00 0.00 29.99 28.81 3kxw n HIS 179 CO 0.00 0.00 0.00 -2.30 -0.00 0.00 0.00 176.34 174.04 3kxw n PRO 180 N 5.67 1.78 -3.43 -0.41 -0.02 -0.81 -4.92 135.00 132.86 3kxw n PRO 180 Ca 0.14 0.62 -0.41 0.00 -2.02 0.00 0.00 63.50 61.84 3kxw n PRO 180 Cb 0.48 -2.13 -0.10 0.00 -0.02 0.00 0.00 33.50 31.74 3kxw n PRO 180 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 3kxw s LYS 181 N -1.55 3.54 -0.54 -0.52 1.02 -1.26 -5.00 119.74 115.43 3kxw s LYS 181 Ca 0.59 -0.47 -0.18 0.00 0.02 0.00 0.00 55.97 55.92 3kxw s LYS 181 Cb -0.64 -3.81 0.09 0.00 -0.52 0.00 0.00 37.83 32.95 3kxw s LYS 181 CO 0.60 -0.51 0.61 0.20 -0.92 0.00 0.00 175.35 175.33 3kxw s GLY 182 N 1.73 1.86 0.00 -3.33 0.00 -1.26 -2.05 107.32 104.27 3kxw s GLY 182 Ca 0.10 -2.11 0.00 0.00 0.00 0.00 0.00 44.72 42.71 3kxw s GLY 182 CO 0.11 1.42 0.00 -0.62 0.00 0.00 0.00 173.10 174.01 3kxw n VAL 183 N 5.48 0.00 -3.17 1.40 0.31 -0.09 -0.22 118.33 122.03 3kxw n VAL 183 Ca -0.10 0.00 0.05 0.00 -0.01 0.00 0.00 64.34 64.28 3kxw n VAL 183 Cb 0.43 0.00 -0.03 0.00 -0.91 0.00 0.00 33.84 33.33 3kxw n VAL 183 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 3kxw s VAL 185 N 0.00 -0.07 0.76 2.52 1.01 -0.77 -1.38 120.40 122.47 3kxw s VAL 185 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 61.98 61.86 3kxw s VAL 185 Cb 0.00 -1.00 0.05 0.00 0.00 0.00 0.00 36.38 35.43 3kxw s VAL 185 CO 0.00 0.00 1.12 -0.94 0.00 0.00 0.00 175.10 175.28 3kxw s SER 186 N 2.43 4.94 0.32 3.32 1.04 -1.26 -0.34 113.70 124.15 3kxw s SER 186 Ca -0.04 1.09 0.00 0.00 0.48 0.00 0.00 55.95 57.49 3kxw s SER 186 Cb -0.04 -1.80 0.54 0.00 0.10 0.00 0.00 66.02 64.82 3kxw s SER 186 CO -0.13 -1.66 1.96 0.45 0.98 0.00 0.00 173.24 174.85 3kxw h HIS 187 N -0.88 0.96 -0.37 5.02 3.86 -1.07 -1.63 115.15 121.05 3kxw h HIS 187 Ca -0.46 0.02 -0.15 0.00 -1.16 0.00 0.00 60.37 58.62 3kxw h HIS 187 Cb 1.28 -0.32 -0.01 0.00 1.06 0.00 0.00 27.41 29.42 3kxw h HIS 187 CO 0.44 0.57 -0.36 1.25 0.86 0.00 0.00 177.93 180.69 3kxw h HIS 188 N 1.00 1.07 -0.28 2.45 -0.00 -1.30 -2.17 115.15 115.92 3kxw h HIS 188 Ca 0.32 -0.32 0.03 0.00 -0.00 0.00 0.00 60.37 60.40 3kxw h HIS 188 Cb 0.02 -0.23 -0.03 0.00 -0.00 0.00 0.00 27.41 27.17 3kxw h HIS 188 CO -0.00 1.13 0.08 -0.91 -0.00 0.00 0.00 177.93 178.23 3kxw h ASN 189 N 0.70 0.06 0.41 3.26 2.35 -1.60 -0.72 115.58 120.04 3kxw h ASN 189 Ca 0.06 0.04 -0.02 0.00 -0.55 0.00 0.00 56.30 55.83 3kxw h ASN 189 Cb 0.95 0.04 0.00 0.00 0.05 0.00 0.00 38.32 39.36 3kxw h ASN 189 CO 0.09 0.07 -0.20 0.25 -1.65 0.00 0.00 177.43 175.99 3kxw h LEU 190 N 0.19 -0.47 -1.16 1.61 5.85 -1.26 -1.76 115.31 118.31 3kxw h LEU 190 Ca 0.13 -0.04 0.00 0.00 0.84 0.00 0.00 57.88 58.81 3kxw h LEU 190 Cb 0.11 0.12 -0.04 0.00 0.37 0.00 0.00 40.66 41.22 3kxw h LEU 190 CO -0.15 -0.26 0.50 -0.07 -0.34 0.00 0.00 178.44 178.12 3kxw h LEU 191 N -0.64 0.94 -0.40 2.25 3.38 -1.35 -0.18 115.31 119.30 3kxw h LEU 191 Ca -0.06 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.88 3kxw h LEU 191 Cb 0.47 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.97 3kxw h LEU 191 CO 0.09 0.70 0.26 -0.78 0.09 0.00 0.00 178.44 178.81 3kxw h ASP 192 N 1.09 0.47 -0.25 -0.43 3.58 -0.92 -1.87 116.42 118.09 3kxw h ASP 192 Ca 0.29 -0.02 -0.19 0.00 0.42 0.00 0.00 57.03 57.53 3kxw h ASP 192 Cb -0.08 -0.12 0.00 0.00 1.72 0.00 0.00 39.33 40.85 3kxw h ASP 192 CO -0.06 0.35 -0.59 -1.13 -2.88 0.00 0.00 179.24 174.93 3kxw h ASN 193 N 0.54 0.97 -0.98 2.28 -0.73 -0.82 -1.93 115.58 114.91 3kxw h ASN 193 Ca 0.15 -0.54 0.11 0.00 1.87 0.00 0.00 56.30 57.89 3kxw h ASN 193 Cb -0.05 -0.28 -0.08 0.00 0.27 0.00 0.00 38.32 38.18 3kxw h ASN 193 CO -0.03 1.34 0.62 -0.07 -0.37 0.00 0.00 177.43 178.92 3kxw h LEU 194 N 0.65 0.91 -0.44 0.34 3.38 -0.95 0.16 115.31 119.36 3kxw h LEU 194 Ca 0.00 0.04 -0.13 0.00 0.09 0.00 0.00 57.88 57.88 3kxw h LEU 194 Cb 1.20 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.79 3kxw h LEU 194 CO 0.13 0.51 -0.24 -1.13 0.09 0.00 0.00 178.44 177.80 3kxw h ASN 195 N 0.99 0.97 -0.74 -0.43 -1.24 -1.18 -1.07 115.58 112.89 3kxw h ASN 195 Ca 0.47 -0.41 -0.04 0.00 0.71 0.00 0.00 56.30 57.03 3kxw h ASN 195 Cb 0.44 -0.27 -0.03 0.00 0.73 0.00 0.00 38.32 39.19 3kxw h ASN 195 CO -0.23 1.17 0.31 0.11 -1.29 0.00 0.00 177.43 177.50 3kxw h LYS 196 N 0.78 1.10 0.11 6.67 1.57 -0.48 -1.02 116.57 125.30 3kxw h LYS 196 Ca 0.10 -0.19 -0.01 0.00 -1.87 0.00 0.00 60.65 58.68 3kxw h LYS 196 Cb 0.82 -0.18 0.00 0.00 0.08 0.00 0.00 32.23 32.95 3kxw h LYS 196 CO 0.07 0.89 -0.05 0.82 -0.57 0.00 0.00 179.45 180.61 3kxw h ILE 197 N 1.06 1.06 -0.89 1.86 2.04 -0.64 0.86 117.51 122.86 3kxw h ILE 197 Ca 0.25 -0.65 0.10 0.00 1.00 0.00 0.00 64.86 65.56 3kxw h ILE 197 Cb 0.19 1.47 -0.07 0.00 -0.74 0.00 0.00 36.82 37.67 3kxw h ILE 197 CO -0.02 0.16 0.53 0.15 0.00 0.00 0.00 178.15 178.96 3kxw h PHE 198 N -0.44 0.96 -0.00 1.37 3.57 -1.13 -1.04 116.94 120.22 3kxw h PHE 198 Ca -0.01 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.50 3kxw h PHE 198 Cb 0.37 -0.30 0.00 0.00 2.79 0.00 0.00 35.95 38.81 3kxw h PHE 198 CO 0.02 0.41 -0.04 1.15 -2.23 0.00 0.00 178.31 177.62 3kxw h THR 199 N 0.89 1.58 -0.24 4.41 2.02 -1.13 -3.13 112.91 117.31 3kxw h THR 199 Ca 0.42 -1.78 -0.07 0.00 0.77 0.00 0.00 66.41 65.76 3kxw h THR 199 Cb 0.36 2.77 -0.01 0.00 -1.74 0.00 0.00 68.15 69.53 3kxw h THR 199 CO -0.24 0.47 -0.15 0.28 0.37 0.00 0.00 175.52 176.25 3kxw h SER 200 N -0.69 0.39 -0.08 4.18 0.02 -0.70 -1.71 113.55 114.96 3kxw h SER 200 Ca -0.00 -0.10 0.00 0.00 -0.84 0.00 0.00 61.79 60.84 3kxw h SER 200 Cb 0.79 -0.10 0.00 0.00 0.14 0.00 0.00 62.40 63.22 3kxw h SER 200 CO 0.01 0.57 0.00 0.49 -1.14 0.00 0.00 176.83 176.76 3kxw n PHE 201 N -4.20 0.10 -1.88 3.45 3.01 -0.41 -4.52 117.46 113.00 3kxw n PHE 201 Ca 0.00 -0.05 0.00 0.00 1.01 0.00 0.00 57.45 58.41 3kxw n PHE 201 Cb 0.32 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.79 3kxw n PHE 201 CO 0.00 0.00 0.00 0.72 1.01 0.00 0.00 176.76 178.49 3kxw n HIS 202 N -0.33 -2.85 -3.80 1.38 8.25 -0.65 -4.95 115.22 112.26 3kxw n HIS 202 Ca 0.12 1.72 0.00 0.00 -0.26 0.00 0.00 57.72 59.30 3kxw n HIS 202 Cb 0.15 -2.32 0.00 0.00 1.12 0.00 0.00 29.99 28.93 3kxw n HIS 202 CO 0.00 0.00 0.00 0.27 0.64 0.00 0.00 176.34 177.25 3kxw n ASN 204 N 1.79 0.00 -0.69 0.41 0.23 -1.26 -5.04 115.26 110.70 3kxw n ASN 204 Ca 0.00 0.00 0.07 0.00 -0.53 0.00 0.00 54.58 54.12 3kxw n ASN 204 Cb 0.00 0.00 0.19 0.00 -2.08 0.00 0.00 39.78 37.89 3kxw n ASN 204 CO 0.00 0.00 0.00 -0.90 -0.93 0.00 0.00 177.26 175.43 3kxw n ASP 205 N 1.79 2.00 0.03 0.53 5.68 -1.26 -1.87 116.55 123.46 3kxw n ASP 205 Ca 0.00 -1.97 0.12 0.00 -0.50 0.00 0.00 54.79 52.44 3kxw n ASP 205 Cb 0.00 -0.24 0.11 0.00 -1.14 0.00 0.00 41.12 39.85 3kxw n ASP 205 CO 0.00 0.00 0.00 1.21 -1.33 0.00 0.00 177.20 177.08 3kxw n GLU 206 N 0.59 0.24 -1.92 0.11 2.13 -1.26 -4.99 120.64 115.53 3kxw n GLU 206 Ca 0.13 0.03 -0.41 0.00 0.66 0.00 0.00 57.16 57.57 3kxw n GLU 206 Cb 0.32 -1.61 -0.02 0.00 0.27 0.00 0.00 31.44 30.40 3kxw n GLU 206 CO 0.00 0.00 0.00 0.99 -0.41 0.00 0.00 177.13 177.71 3kxw s THR 207 N -3.15 2.46 -0.06 6.31 2.01 -0.78 -4.87 115.64 117.55 3kxw s THR 207 Ca 0.06 0.38 0.01 0.00 0.31 0.00 0.00 61.69 62.44 3kxw s THR 207 Cb 0.15 -3.24 0.02 0.00 0.01 0.00 0.00 72.50 69.44 3kxw s THR 207 CO 0.76 0.06 -0.06 -0.63 -0.69 0.00 0.00 174.62 174.06 3kxw s ILE 208 N 0.15 0.70 -0.17 1.82 1.01 -1.26 -4.22 121.20 119.24 3kxw s ILE 208 Ca 0.62 -0.17 -0.09 0.00 0.00 0.00 0.00 60.65 61.01 3kxw s ILE 208 Cb -0.44 -0.73 -0.05 0.00 0.01 0.00 0.00 42.46 41.26 3kxw s ILE 208 CO 0.43 0.28 0.13 -0.63 0.00 0.00 0.00 174.94 175.15 3kxw s ILE 209 N 1.19 5.38 -0.06 2.92 1.01 -0.57 -0.82 121.20 130.26 3kxw s ILE 209 Ca -0.06 0.17 0.02 0.00 0.00 0.00 0.00 60.65 60.78 3kxw s ILE 209 Cb -0.14 -3.41 -0.03 0.00 0.01 0.00 0.00 42.46 38.89 3kxw s ILE 209 CO -0.02 0.51 -0.09 0.12 0.00 0.00 0.00 174.94 175.46 3kxw s PHE 210 N -0.18 2.86 -0.09 3.97 5.36 -0.60 -0.16 117.98 129.13 3kxw s PHE 210 Ca 0.10 -0.04 -0.06 0.00 -0.96 0.00 0.00 56.93 55.97 3kxw s PHE 210 Cb -0.11 -1.67 0.03 0.00 -0.34 0.00 0.00 43.02 40.92 3kxw s PHE 210 CO 0.00 0.29 0.23 0.45 -1.46 0.00 0.00 175.22 174.73 3kxw s SER 211 N -0.84 -0.24 0.00 6.13 0.15 0.15 -4.39 113.70 114.67 3kxw s SER 211 Ca 0.12 0.47 0.16 0.00 0.70 0.00 0.00 55.95 57.40 3kxw s SER 211 Cb -0.11 0.41 0.26 0.00 -1.71 0.00 0.00 66.02 64.87 3kxw s SER 211 CO 0.02 -0.12 1.16 -2.67 1.20 0.00 0.00 173.24 172.82 3kxw n TRP 212 N 3.62 0.28 -2.10 3.44 4.27 -1.26 -4.80 117.44 120.88 3kxw n TRP 212 Ca -0.19 -0.21 -0.38 0.00 -3.89 0.00 0.00 57.50 52.83 3kxw n TRP 212 Cb 0.56 -0.01 0.00 0.00 -1.36 0.00 0.00 31.31 30.50 3kxw n TRP 212 CO 0.00 0.00 0.00 -0.51 -2.29 0.00 0.00 177.69 174.89 3kxw s LEU 213 N -1.19 4.01 -0.04 5.67 1.43 -1.26 -2.41 118.68 124.89 3kxw s LEU 213 Ca 0.25 2.48 -0.36 0.00 -1.03 0.00 0.00 54.13 55.48 3kxw s LEU 213 Cb 0.15 -4.18 -0.14 0.00 0.03 0.00 0.00 46.19 42.05 3kxw s LEU 213 CO 0.21 -1.06 1.71 -2.65 0.23 0.00 0.00 176.35 174.79 3kxw n PRO 214 N -0.49 1.82 0.00 1.29 -0.02 -1.26 -4.76 135.00 131.58 3kxw n PRO 214 Ca 0.07 0.66 0.11 0.00 -2.02 0.00 0.00 63.50 62.32 3kxw n PRO 214 Cb 0.46 -2.43 0.58 0.00 -0.02 0.00 0.00 33.50 32.09 3kxw n PRO 214 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 3kxw n PRO 215 N 5.04 0.45 -0.24 0.52 -0.04 -1.26 -2.80 135.00 136.67 3kxw n PRO 215 Ca 0.21 0.05 0.11 0.00 -0.04 0.00 0.00 63.50 63.84 3kxw n PRO 215 Cb 0.24 -1.50 0.26 0.00 -0.04 0.00 0.00 33.50 32.47 3kxw n PRO 215 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 3kxw n HIS 216 N -1.17 0.63 -4.51 0.54 8.25 -1.26 -4.23 115.22 113.47 3kxw n HIS 216 Ca 0.13 -0.31 -0.30 0.00 -0.26 0.00 0.00 57.72 56.97 3kxw n HIS 216 Cb 0.13 0.00 -0.12 0.00 1.12 0.00 0.00 29.99 31.12 3kxw n HIS 216 CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 3kxw s HIS 217 N -1.37 2.51 -0.19 4.41 5.65 -1.12 -4.82 115.29 120.35 3kxw s HIS 217 Ca 0.40 -0.28 0.00 0.00 0.25 0.00 0.00 55.06 55.43 3kxw s HIS 217 Cb 0.22 -1.39 0.00 0.00 -1.18 0.00 0.00 32.58 30.23 3kxw s HIS 217 CO 0.30 0.31 0.00 -0.40 -0.65 0.00 0.00 174.74 174.30 3kxw n ASP 218 N 1.20 0.00 0.00 9.88 5.68 -1.26 -2.06 116.55 129.99 3kxw n ASP 218 Ca -0.16 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.13 3kxw n ASP 218 Cb 0.52 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.50 3kxw n ASP 218 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3kxw n GLY 220 N 0.39 0.00 0.07 6.12 0.00 -1.25 0.46 105.19 110.98 3kxw n GLY 220 Ca 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.97 3kxw n GLY 220 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3kxw h LEU 221 N 0.00 0.00 0.01 0.99 5.85 -1.57 -3.28 115.31 117.32 3kxw h LEU 221 Ca 0.00 -0.10 -0.08 0.00 0.84 0.00 0.00 57.88 58.54 3kxw h LEU 221 Cb 0.00 0.00 0.01 0.00 0.37 0.00 0.00 40.66 41.04 3kxw h LEU 221 CO 0.00 0.76 -0.33 0.40 -0.34 0.00 0.00 178.44 178.92 3kxw h ILE 222 N -1.00 1.55 -0.03 4.05 2.04 -0.23 -1.00 117.51 122.90 3kxw h ILE 222 Ca -0.03 -2.07 -0.01 0.00 1.00 0.00 0.00 64.86 63.75 3kxw h ILE 222 Cb 0.45 2.86 -0.00 0.00 -0.74 0.00 0.00 36.82 39.38 3kxw h ILE 222 CO -0.02 0.57 -0.01 1.23 0.00 0.00 0.00 178.15 179.92 3kxw h GLY 223 N -0.49 0.06 -0.85 5.37 0.00 -1.83 -1.81 103.07 103.52 3kxw h GLY 223 Ca -0.05 -0.05 0.00 0.00 0.00 0.00 0.00 47.33 47.23 3kxw h GLY 223 CO 0.06 0.05 -0.40 0.00 0.00 0.00 0.00 176.54 176.25 3kxw n ILE 225 N -0.08 0.66 -0.07 0.00 5.41 -1.00 -4.71 119.36 119.56 3kxw n ILE 225 Ca 0.08 0.22 -0.12 0.00 1.00 0.00 0.00 62.75 63.93 3kxw n ILE 225 Cb 0.40 -1.38 0.02 0.00 -0.71 0.00 0.00 39.64 37.97 3kxw n ILE 225 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 176.55 176.48 3kxw h LEU 226 N 0.00 0.86 0.06 1.39 3.38 -1.25 -2.23 115.31 117.52 3kxw h LEU 226 Ca 0.00 -0.41 -0.00 0.00 0.09 0.00 0.00 57.88 57.56 3kxw h LEU 226 Cb 0.30 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 40.80 3kxw h LEU 226 CO 0.00 1.17 -0.03 0.74 0.09 0.00 0.00 178.44 180.41 3kxw h THR 227 N 0.65 0.96 -0.76 0.22 2.02 -1.49 -0.47 112.91 114.04 3kxw h THR 227 Ca 0.04 -0.07 -0.00 0.00 0.77 0.00 0.00 66.41 67.15 3kxw h THR 227 Cb 1.00 1.01 -0.04 0.00 -1.74 0.00 0.00 68.15 68.38 3kxw h THR 227 CO 0.10 0.02 0.47 -0.65 0.37 0.00 0.00 175.52 175.82 3kxw h PRO 228 N -0.11 1.02 -0.21 6.66 0.11 -1.76 0.93 132.00 138.64 3kxw h PRO 228 Ca -0.01 -0.09 0.03 0.00 0.11 0.00 0.00 66.00 66.04 3kxw h PRO 228 Cb 0.09 -0.22 -0.03 0.00 0.11 0.00 0.00 31.00 30.96 3kxw h PRO 228 CO 0.01 0.71 0.04 0.82 -0.21 0.00 0.00 178.00 179.38 3kxw h ILE 229 N 1.03 0.91 -0.74 4.15 2.04 -1.27 -0.65 117.51 122.98 3kxw h ILE 229 Ca 0.27 -0.04 0.07 0.00 1.00 0.00 0.00 64.86 66.16 3kxw h ILE 229 Cb -0.05 0.77 -0.06 0.00 -0.74 0.00 0.00 36.82 36.73 3kxw h ILE 229 CO -0.05 0.02 0.42 0.22 0.00 0.00 0.00 178.15 178.76 3kxw h TYR 230 N 0.13 0.77 -0.11 1.37 3.20 -0.80 -3.18 116.97 118.34 3kxw h TYR 230 Ca 0.10 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.99 3kxw h TYR 230 Cb 0.09 -0.24 0.00 0.00 1.54 0.00 0.00 36.73 38.12 3kxw h TYR 230 CO -0.14 0.35 0.00 0.41 -1.64 0.00 0.00 178.16 177.14 3kxw n GLY 231 N -1.30 0.47 2.04 1.82 0.00 0.30 -4.75 105.19 103.76 3kxw n GLY 231 Ca 0.10 -0.51 -0.02 0.00 0.00 0.00 0.00 46.02 45.59 3kxw n GLY 231 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kxw n GLY 232 N 1.23 0.36 3.37 -0.02 0.00 -0.39 -4.93 105.19 104.81 3kxw n GLY 232 Ca 0.17 -0.88 -0.31 0.00 0.00 0.00 0.00 46.02 45.01 3kxw n GLY 232 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3kxw s ILE 233 N -2.08 2.35 0.27 -0.61 -1.09 -0.39 -5.05 121.20 114.61 3kxw s ILE 233 Ca 0.00 -1.16 -0.30 0.00 -2.23 0.00 0.00 60.65 56.97 3kxw s ILE 233 Cb 0.00 -1.90 -0.10 0.00 -1.58 0.00 0.00 42.46 38.88 3kxw s ILE 233 CO 0.00 0.47 1.38 -1.10 -1.23 0.00 0.00 174.94 174.46 3kxw s GLN 234 N -0.97 4.31 -0.21 2.79 -0.21 -1.26 -4.30 119.66 119.80 3kxw s GLN 234 Ca 0.12 2.24 -0.03 0.00 0.02 0.00 0.00 55.36 57.70 3kxw s GLN 234 Cb -0.10 -3.11 -0.01 0.00 1.00 0.00 0.00 33.01 30.79 3kxw s GLN 234 CO 0.01 -0.32 -0.05 0.00 -2.12 0.00 0.00 175.29 172.81 3kxw s ALA 235 N -0.38 2.79 -0.07 6.09 0.00 0.01 -1.51 121.76 128.68 3kxw s ALA 235 Ca 0.55 -1.13 0.03 0.00 0.00 0.00 0.00 51.96 51.41 3kxw s ALA 235 Cb -0.40 -1.64 -0.02 0.00 0.00 0.00 0.00 23.12 21.05 3kxw s ALA 235 CO 0.46 -0.35 -0.15 0.42 0.00 0.00 0.00 175.76 176.14 3kxw s ILE 236 N 1.34 2.95 0.33 0.00 -1.09 0.78 -0.76 121.20 124.75 3kxw s ILE 236 Ca 0.04 -0.75 -0.03 0.00 -2.23 0.00 0.00 60.65 57.68 3kxw s ILE 236 Cb -0.14 -2.17 -0.04 0.00 -1.58 0.00 0.00 42.46 38.53 3kxw s ILE 236 CO -0.03 0.57 0.58 -0.94 -1.23 0.00 0.00 174.94 173.89 3kxw s SER 239 N -0.40 6.37 0.40 3.58 1.04 -1.26 -0.67 113.70 122.76 3kxw s SER 239 Ca 0.04 0.65 0.08 0.00 0.48 0.00 0.00 55.95 57.20 3kxw s SER 239 Cb -0.12 -2.12 0.82 0.00 0.10 0.00 0.00 66.02 64.70 3kxw s SER 239 CO 0.02 -0.27 1.99 -0.65 0.98 0.00 0.00 173.24 175.31 3kxw h PRO 240 N 1.20 0.41 -0.68 4.02 0.11 -1.78 -1.84 132.00 133.44 3kxw h PRO 240 Ca -0.48 -0.05 0.09 0.00 0.11 0.00 0.00 66.00 65.66 3kxw h PRO 240 Cb 1.20 -0.08 -0.07 0.00 0.11 0.00 0.00 31.00 32.17 3kxw h PRO 240 CO 0.64 0.37 0.34 0.35 -0.21 0.00 0.00 178.00 179.49 3kxw h PHE 241 N 0.41 0.60 -0.64 0.65 3.57 -2.00 -0.61 116.94 118.93 3kxw h PHE 241 Ca 0.10 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.62 3kxw h PHE 241 Cb 0.14 -0.17 -0.03 0.00 2.79 0.00 0.00 35.95 38.68 3kxw h PHE 241 CO 0.00 0.23 0.35 0.77 -2.23 0.00 0.00 178.31 177.43 3kxw h SER 242 N 0.58 0.79 0.03 0.41 0.02 -1.75 -1.01 113.55 112.63 3kxw h SER 242 Ca 0.33 -0.09 -0.00 0.00 -0.84 0.00 0.00 61.79 61.19 3kxw h SER 242 Cb 0.33 -0.20 0.00 0.00 0.14 0.00 0.00 62.40 62.67 3kxw h SER 242 CO -0.26 0.65 -0.02 0.15 -1.14 0.00 0.00 176.83 176.22 3kxw h PHE 243 N 0.87 -0.04 -0.66 3.45 3.57 -1.02 -2.41 116.94 120.69 3kxw h PHE 243 Ca 0.22 -0.00 -0.07 0.00 3.53 0.00 0.00 57.97 61.66 3kxw h PHE 243 Cb 0.03 0.01 -0.03 0.00 2.79 0.00 0.00 35.95 38.76 3kxw h PHE 243 CO -0.01 0.00 0.15 -0.07 -2.23 0.00 0.00 178.31 176.16 3kxw h LEU 244 N -0.07 0.99 -1.55 0.59 3.38 -0.90 -0.38 115.31 117.37 3kxw h LEU 244 Ca -0.00 -0.21 -0.05 0.00 0.09 0.00 0.00 57.88 57.71 3kxw h LEU 244 Cb 0.06 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.54 3kxw h LEU 244 CO 0.01 0.96 -0.23 1.56 0.09 0.00 0.00 178.44 180.82 3kxw h GLN 245 N 1.00 0.00 -0.86 1.13 1.08 -1.17 -3.40 115.11 112.89 3kxw h GLN 245 Ca 0.21 0.00 -0.15 0.00 -1.45 0.00 0.00 58.65 57.25 3kxw h GLN 245 Cb 0.36 0.00 -0.16 0.00 -0.05 0.00 0.00 27.48 27.63 3kxw h GLN 245 CO 0.00 0.23 -0.48 -1.71 -0.95 0.00 0.00 178.83 175.93 3kxw n ASN 246 N -4.11 -3.34 0.25 1.46 5.15 -0.81 -5.02 115.26 108.84 3kxw n ASN 246 Ca -0.02 -2.91 0.09 0.00 -0.60 0.00 0.00 54.58 51.14 3kxw n ASN 246 Cb 0.30 1.74 0.64 0.00 -0.53 0.00 0.00 39.78 41.93 3kxw n ASN 246 CO 0.00 0.00 0.00 -0.65 1.40 0.00 0.00 177.26 178.01 3kxw h PRO 247 N 4.85 0.00 -0.92 1.20 0.11 -1.31 0.13 132.00 136.07 3kxw h PRO 247 Ca 0.03 0.00 0.23 0.00 0.11 0.00 0.00 66.00 66.37 3kxw h PRO 247 Cb 1.10 0.00 -0.06 0.00 0.11 0.00 0.00 31.00 32.15 3kxw h PRO 247 CO 0.04 0.14 0.62 1.25 -0.21 0.00 0.00 178.00 179.85 3kxw h LEU 248 N 0.00 0.26 -1.87 2.35 5.85 -1.94 -1.40 115.31 118.57 3kxw h LEU 248 Ca -0.00 0.03 -0.02 0.00 0.84 0.00 0.00 57.88 58.73 3kxw h LEU 248 Cb 0.30 -0.01 -0.00 0.00 0.37 0.00 0.00 40.66 41.31 3kxw h LEU 248 CO 0.02 0.09 -0.08 0.77 -0.34 0.00 0.00 178.44 178.90 3kxw h SER 249 N 0.25 0.00 -0.34 1.25 4.64 -1.31 0.08 113.55 118.12 3kxw h SER 249 Ca 0.47 0.00 0.05 0.00 -0.47 0.00 0.00 61.79 61.84 3kxw h SER 249 Cb 1.41 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 63.46 3kxw h SER 249 CO -0.13 0.08 0.09 -0.25 -0.87 0.00 0.00 176.83 175.75 3kxw h TRP 250 N 0.00 0.15 0.05 4.77 7.01 -1.42 -0.14 115.95 126.36 3kxw h TRP 250 Ca -0.00 0.02 -0.23 0.00 2.11 0.00 0.00 58.89 60.79 3kxw h TRP 250 Cb 0.14 -0.01 -0.00 0.00 -2.10 0.00 0.00 29.16 27.19 3kxw h TRP 250 CO 0.00 0.04 -1.03 -0.07 -2.79 0.00 0.00 178.44 174.59 3kxw h LEU 251 N 0.21 0.38 -0.40 0.65 3.38 -1.34 -1.86 115.31 116.32 3kxw h LEU 251 Ca 0.16 -0.35 0.02 0.00 0.09 0.00 0.00 57.88 57.81 3kxw h LEU 251 Cb 0.17 -0.12 -0.03 0.00 0.09 0.00 0.00 40.66 40.77 3kxw h LEU 251 CO -0.20 1.19 0.23 0.11 0.09 0.00 0.00 178.44 179.87 3kxw h LYS 252 N 0.12 0.45 -0.45 1.13 1.57 -0.92 -1.34 116.57 117.13 3kxw h LYS 252 Ca -0.08 -0.03 -0.11 0.00 -1.87 0.00 0.00 60.65 58.55 3kxw h LYS 252 Cb 1.71 -0.10 -0.02 0.00 0.08 0.00 0.00 32.23 33.90 3kxw h LYS 252 CO 0.17 0.30 -0.17 0.45 -0.57 0.00 0.00 179.45 179.62 3kxw h HIS 253 N 0.47 0.99 -1.00 -1.35 3.86 -0.96 0.87 115.15 118.02 3kxw h HIS 253 Ca 0.16 -0.21 0.05 0.00 -1.16 0.00 0.00 60.37 59.20 3kxw h HIS 253 Cb 0.02 -0.24 -0.06 0.00 1.06 0.00 0.00 27.41 28.19 3kxw h HIS 253 CO -0.08 0.98 0.66 0.82 0.86 0.00 0.00 177.93 181.16 3kxw h ILE 254 N 0.77 1.15 0.33 2.45 2.04 -1.22 -0.09 117.51 122.95 3kxw h ILE 254 Ca 0.11 -0.43 -0.02 0.00 1.00 0.00 0.00 64.86 65.53 3kxw h ILE 254 Cb 0.71 -0.20 0.00 0.00 -0.74 0.00 0.00 36.82 36.59 3kxw h ILE 254 CO 0.05 0.23 -0.16 0.74 0.00 0.00 0.00 178.15 179.01 3kxw h THR 255 N 1.24 0.68 -0.55 -0.27 2.02 -0.74 -1.68 112.91 113.61 3kxw h THR 255 Ca 0.41 -0.43 0.01 0.00 0.77 0.00 0.00 66.41 67.16 3kxw h THR 255 Cb 0.05 0.90 -0.03 0.00 -1.74 0.00 0.00 68.15 67.33 3kxw h THR 255 CO -0.14 0.08 0.36 0.50 0.37 0.00 0.00 175.52 176.70 3kxw h LYS 256 N -0.70 0.72 -0.25 6.66 3.64 -0.52 -3.05 116.57 123.07 3kxw h LYS 256 Ca -0.05 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.29 3kxw h LYS 256 Cb 0.48 -0.16 0.00 0.00 -0.41 0.00 0.00 32.23 32.14 3kxw h LYS 256 CO 0.08 0.48 0.00 0.66 -2.27 0.00 0.00 179.45 178.39 3kxw n TYR 257 N -4.71 0.31 -4.05 1.91 4.01 -0.07 -4.94 117.16 109.62 3kxw n TYR 257 Ca 0.03 -0.16 -0.27 0.00 -0.16 0.00 0.00 57.90 57.35 3kxw n TYR 257 Cb 0.02 0.00 -0.04 0.00 -0.31 0.00 0.00 39.34 39.01 3kxw n TYR 257 CO 0.00 0.00 0.00 1.63 -0.46 0.00 0.00 176.86 178.03 3kxw n LYS 258 N 0.97 -2.71 -2.02 -0.72 5.02 -0.69 -4.89 118.16 113.12 3kxw n LYS 258 Ca 0.18 0.33 -0.39 0.00 -2.02 0.00 0.00 58.31 56.40 3kxw n LYS 258 Cb 0.49 -4.30 0.01 0.00 -0.02 0.00 0.00 35.03 31.21 3kxw n LYS 258 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3kxw s ALA 259 N -4.06 3.10 -0.11 7.82 0.00 -0.83 -4.70 121.76 122.96 3kxw s ALA 259 Ca 0.01 1.21 0.11 0.00 0.00 0.00 0.00 51.96 53.29 3kxw s ALA 259 Cb -0.00 -3.49 -0.16 0.00 0.00 0.00 0.00 23.12 19.47 3kxw s ALA 259 CO 0.92 -0.94 0.06 0.25 0.00 0.00 0.00 175.76 176.05 3kxw n THR 260 N -0.29 0.79 -4.50 0.00 -2.24 0.00 -3.07 114.28 104.98 3kxw n THR 260 Ca 0.06 -0.51 -0.27 0.00 -2.27 0.00 0.00 64.05 61.06 3kxw n THR 260 Cb 0.45 -0.60 -0.17 0.00 -2.10 0.00 0.00 70.33 67.92 3kxw n THR 260 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 3kxw s ILE 261 N -2.36 1.30 -0.04 2.28 1.01 -0.92 -1.54 121.20 120.94 3kxw s ILE 261 Ca -0.06 -0.55 -0.31 0.00 0.00 0.00 0.00 60.65 59.74 3kxw s ILE 261 Cb 0.04 -1.20 0.07 0.00 0.01 0.00 0.00 42.46 41.38 3kxw s ILE 261 CO 0.52 0.40 0.69 -0.55 0.00 0.00 0.00 174.94 175.99 3kxw s SER 262 N 0.88 -0.65 0.00 3.58 0.15 -0.88 -1.56 113.70 115.23 3kxw s SER 262 Ca -0.10 0.67 0.00 0.00 0.70 0.00 0.00 55.95 57.22 3kxw s SER 262 Cb -0.15 0.54 0.00 0.00 -1.71 0.00 0.00 66.02 64.69 3kxw s SER 262 CO 0.01 -0.62 0.00 0.61 1.20 0.00 0.00 173.24 174.44 3kxw n GLY 263 N 0.84 1.37 3.65 9.45 0.00 -1.26 -2.01 105.19 117.22 3kxw n GLY 263 Ca -0.19 -0.80 0.04 0.00 0.00 0.00 0.00 46.02 45.08 3kxw n GLY 263 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3kxw s SER 264 N 0.25 -0.00 0.84 1.61 1.04 -0.91 -4.85 113.70 111.69 3kxw s SER 264 Ca 0.00 -0.00 -0.11 0.00 0.48 0.00 0.00 55.95 56.32 3kxw s SER 264 Cb 0.00 0.00 0.10 0.00 0.10 0.00 0.00 66.02 66.22 3kxw s SER 264 CO 0.00 -0.00 1.15 -2.84 0.98 0.00 0.00 173.24 172.53 3kxw s PRO 265 N -2.00 1.55 0.28 4.02 0.02 -1.18 -2.59 135.00 135.09 3kxw s PRO 265 Ca 0.19 1.52 0.01 0.00 0.02 0.00 0.00 61.00 62.74 3kxw s PRO 265 Cb 0.06 -1.79 0.63 0.00 0.02 0.00 0.00 34.50 33.42 3kxw s PRO 265 CO -0.06 -2.23 1.73 -0.97 -0.33 0.00 0.00 177.00 175.14 3kxw h ASN 266 N -1.33 0.42 -0.77 2.53 -1.24 -1.83 -2.51 115.58 110.86 3kxw h ASN 266 Ca -0.44 0.12 0.20 0.00 0.71 0.00 0.00 56.30 56.89 3kxw h ASN 266 Cb 1.27 0.07 -0.04 0.00 0.73 0.00 0.00 38.32 40.35 3kxw h ASN 266 CO 0.46 0.11 0.54 2.19 -1.29 0.00 0.00 177.43 179.43 3kxw h PHE 267 N 0.51 0.17 0.00 0.67 -5.15 -1.91 -2.44 116.94 108.79 3kxw h PHE 267 Ca 0.51 0.01 -0.07 0.00 -0.20 0.00 0.00 57.97 58.21 3kxw h PHE 267 Cb 0.85 -0.05 -0.01 0.00 0.22 0.00 0.00 35.95 36.96 3kxw h PHE 267 CO -0.12 0.05 -0.33 0.00 -2.00 0.00 0.00 178.31 175.92 3kxw h ALA 268 N 1.63 1.10 -0.40 12.09 0.00 -1.81 -0.24 119.26 131.63 3kxw h ALA 268 Ca 0.37 -0.30 -0.11 0.00 0.00 0.00 0.00 54.91 54.87 3kxw h ALA 268 Cb 1.28 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 19.01 3kxw h ALA 268 CO -0.05 0.41 -0.19 1.88 0.00 0.00 0.00 179.25 181.30 3kxw h TYR 269 N 0.00 0.96 -0.54 0.00 0.05 -1.63 -1.51 116.97 114.30 3kxw h TYR 269 Ca -0.00 -0.24 -0.05 0.00 0.05 0.00 0.00 58.73 58.49 3kxw h TYR 269 Cb 0.77 -0.22 -0.02 0.00 1.01 0.00 0.00 36.73 38.26 3kxw h TYR 269 CO 0.00 1.00 0.12 -0.44 -1.05 0.00 0.00 178.16 177.79 3kxw h ASP 270 N 0.65 0.79 -0.56 3.88 3.32 -1.48 -2.06 116.42 120.96 3kxw h ASP 270 Ca 0.09 -0.14 -0.06 0.00 0.02 0.00 0.00 57.03 56.93 3kxw h ASP 270 Cb 0.74 -0.21 -0.02 0.00 0.22 0.00 0.00 39.33 40.07 3kxw h ASP 270 CO 0.06 0.78 0.11 0.22 -1.72 0.00 0.00 179.24 178.68 3kxw h TYR 271 N 0.81 0.97 -0.27 4.55 3.20 -0.83 0.09 116.97 125.48 3kxw h TYR 271 Ca 0.18 -0.13 0.02 0.00 3.14 0.00 0.00 58.73 61.93 3kxw h TYR 271 Cb 0.31 -0.27 -0.02 0.00 1.54 0.00 0.00 36.73 38.29 3kxw h TYR 271 CO 0.02 0.85 0.14 0.00 -1.64 0.00 0.00 178.16 177.52 3kxw h VAL 273 N 0.29 1.07 -0.42 0.00 2.07 -1.03 -1.94 116.25 116.29 3kxw h VAL 273 Ca 0.11 -0.21 -0.12 0.00 0.82 0.00 0.00 66.70 67.30 3kxw h VAL 273 Cb 0.03 0.40 -0.01 0.00 -1.52 0.00 0.00 31.29 30.18 3kxw h VAL 273 CO -0.07 0.11 -0.21 0.50 0.02 0.00 0.00 177.57 177.91 3kxw h LYS 274 N 0.62 0.83 0.00 1.57 3.64 -0.85 -3.34 116.57 119.05 3kxw h LYS 274 Ca 0.20 -0.34 -0.04 0.00 -1.27 0.00 0.00 60.65 59.20 3kxw h LYS 274 Cb 0.00 -0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 31.78 3kxw h LYS 274 CO -0.08 0.97 -1.38 0.54 -2.27 0.00 0.00 179.45 177.23 3kxw n ARG 275 N -4.11 0.63 -3.51 1.90 5.12 -0.40 -4.86 116.66 111.43 3kxw n ARG 275 Ca 0.00 0.05 -0.42 0.00 -1.93 0.00 0.00 57.85 55.55 3kxw n ARG 275 Cb 0.44 -1.73 -0.10 0.00 -1.16 0.00 0.00 32.46 29.90 3kxw n ARG 275 CO 0.00 0.00 0.00 0.42 -1.93 0.00 0.00 177.63 176.12 3kxw s ILE 276 N -3.30 5.01 0.47 0.55 1.01 -0.74 -4.99 121.20 119.20 3kxw s ILE 276 Ca -0.03 -0.73 -0.23 0.00 0.00 0.00 0.00 60.65 59.66 3kxw s ILE 276 Cb 0.10 -3.79 -0.07 0.00 0.01 0.00 0.00 42.46 38.71 3kxw s ILE 276 CO 0.83 -0.28 1.16 -0.13 0.00 0.00 0.00 174.94 176.51 3kxw s ARG 277 N 1.63 3.73 0.30 2.79 1.81 -1.26 -4.92 118.95 123.04 3kxw s ARG 277 Ca 0.04 1.75 0.01 0.00 -1.72 0.00 0.00 55.73 55.81 3kxw s ARG 277 Cb -0.19 -2.37 0.72 0.00 -0.45 0.00 0.00 34.95 32.66 3kxw s ARG 277 CO 0.09 -0.57 1.58 1.49 -0.68 0.00 0.00 175.30 177.21 3kxw h GLU 278 N 1.98 0.03 0.00 3.54 4.57 -1.97 0.16 114.58 122.90 3kxw h GLU 278 Ca -0.49 -0.00 -0.03 0.00 -1.18 0.00 0.00 59.36 57.65 3kxw h GLU 278 Cb 1.25 -0.01 -0.00 0.00 -0.16 0.00 0.00 28.75 29.83 3kxw h GLU 278 CO 0.60 0.02 -0.15 1.05 -1.18 0.00 0.00 179.01 179.35 3kxw h GLU 279 N 0.03 0.00 0.00 1.92 9.09 -2.01 -2.60 114.58 121.01 3kxw h GLU 279 Ca 0.58 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.99 3kxw h GLU 279 Cb 1.18 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.28 3kxw h GLU 279 CO -0.87 0.15 0.00 1.63 0.05 0.00 0.00 179.01 179.96 3kxw n LYS 280 N -3.28 0.15 0.14 1.06 4.76 0.04 -3.21 118.16 117.82 3kxw n LYS 280 Ca 0.01 0.00 0.13 0.00 -2.87 0.00 0.00 58.31 55.58 3kxw n LYS 280 Cb 0.40 -1.50 0.40 0.00 -1.84 0.00 0.00 35.03 32.49 3kxw n LYS 280 CO 0.00 0.00 0.00 0.87 -1.37 0.00 0.00 177.40 176.90 3kxw h LYS 281 N 0.00 0.00 -6.55 1.97 1.57 -1.43 -3.46 116.57 108.68 3kxw h LYS 281 Ca 0.00 0.00 -0.56 0.00 -1.87 0.00 0.00 60.65 58.22 3kxw h LYS 281 Cb 0.42 0.00 0.06 0.00 0.08 0.00 0.00 32.23 32.79 3kxw h LYS 281 CO 0.00 0.00 0.88 -1.91 -0.57 0.00 0.00 179.45 177.85 3kxw n GLU 282 N -2.45 2.37 0.00 3.15 2.13 -1.20 -1.69 120.64 122.95 3kxw n GLU 282 Ca 0.04 0.86 0.00 0.00 0.66 0.00 0.00 57.16 58.72 3kxw n GLU 282 Cb 0.40 -2.66 0.00 0.00 0.27 0.00 0.00 31.44 29.46 3kxw n GLU 282 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3kxw n GLY 283 N 3.64 1.79 3.80 8.31 0.00 -1.26 -5.08 105.19 116.39 3kxw n GLY 283 Ca 0.17 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.85 3kxw n GLY 283 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3kxw s LEU 284 N 0.00 3.73 -0.27 0.99 1.43 -0.68 -5.02 118.68 118.85 3kxw s LEU 284 Ca 0.00 1.89 -0.00 0.00 -1.03 0.00 0.00 54.13 54.99 3kxw s LEU 284 Cb 0.00 -4.55 0.15 0.00 0.03 0.00 0.00 46.19 41.82 3kxw s LEU 284 CO 0.00 -0.90 0.42 -0.62 0.23 0.00 0.00 176.35 175.48 3kxw s ASP 285 N -2.25 0.10 -0.16 2.29 2.15 -1.26 -4.87 116.67 112.68 3kxw s ASP 285 Ca 0.66 -0.01 0.16 0.00 0.43 0.00 0.00 52.55 53.79 3kxw s ASP 285 Cb -0.16 1.24 0.61 0.00 -0.30 0.00 0.00 42.92 44.31 3kxw s ASP 285 CO 0.25 -0.32 1.52 0.18 -0.17 0.00 0.00 175.17 176.64 3kxw n LEU 286 N 5.37 4.40 0.25 -1.34 4.77 0.84 -4.32 117.00 126.97 3kxw n LEU 286 Ca -0.01 -2.76 0.09 0.00 -0.03 0.00 0.00 56.01 53.30 3kxw n LEU 286 Cb 0.50 -0.55 0.65 0.00 -2.33 0.00 0.00 43.42 41.69 3kxw n LEU 286 CO 0.02 0.70 0.99 0.77 -1.33 0.00 0.00 177.39 178.53 3kxw h SER 287 N 2.80 0.00 0.76 -1.43 4.64 -1.74 -2.07 113.55 116.51 3kxw h SER 287 Ca 0.00 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.29 3kxw h SER 287 Cb 1.49 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.58 3kxw h SER 287 CO 0.26 0.10 -0.12 0.77 -0.87 0.00 0.00 176.83 176.97 3kxw h SER 288 N 0.00 0.00 -1.20 4.97 4.64 -1.81 -3.42 113.55 116.73 3kxw h SER 288 Ca -0.00 0.00 -0.62 0.00 -0.47 0.00 0.00 61.79 60.70 3kxw h SER 288 Cb 0.21 0.00 -0.10 0.00 -0.31 0.00 0.00 62.40 62.20 3kxw h SER 288 CO 0.01 0.12 1.53 0.86 -0.87 0.00 0.00 176.83 178.49 3kxw s TRP 289 N -3.82 2.62 -0.53 4.77 -0.00 -0.78 -4.07 118.94 117.14 3kxw s TRP 289 Ca -0.00 -1.01 0.23 0.00 -0.00 0.00 0.00 56.10 55.32 3kxw s TRP 289 Cb 0.11 -4.67 -0.01 0.00 -0.00 0.00 0.00 33.47 28.90 3kxw s TRP 289 CO 0.58 -1.88 0.96 1.33 -0.00 0.00 0.00 176.95 177.95 3kxw n VAL 290 N 6.68 0.18 -3.73 5.86 0.24 -0.59 -4.73 118.33 122.25 3kxw n VAL 290 Ca 0.34 -0.29 -0.29 0.00 -2.04 0.00 0.00 64.34 62.07 3kxw n VAL 290 Cb 0.50 0.18 -0.16 0.00 -1.47 0.00 0.00 33.84 32.89 3kxw n VAL 290 CO 0.00 0.00 0.00 -0.89 -2.14 0.00 0.00 176.83 173.80 3kxw s THR 291 N -3.24 0.65 -0.69 3.34 2.01 -0.69 -4.30 115.64 112.73 3kxw s THR 291 Ca 0.02 -0.93 -0.08 0.00 0.31 0.00 0.00 61.69 61.01 3kxw s THR 291 Cb 0.14 -1.31 0.18 0.00 0.01 0.00 0.00 72.50 71.52 3kxw s THR 291 CO 0.82 -0.43 0.56 0.00 -0.69 0.00 0.00 174.62 174.87 3kxw s ALA 292 N 1.77 3.76 0.45 7.40 0.00 0.22 -2.07 121.76 133.30 3kxw s ALA 292 Ca 0.04 -3.21 -0.20 0.00 0.00 0.00 0.00 51.96 48.58 3kxw s ALA 292 Cb -0.17 -3.02 -0.10 0.00 0.00 0.00 0.00 23.12 19.83 3kxw s ALA 292 CO -0.17 -2.15 0.97 -0.59 0.00 0.00 0.00 175.76 173.82 3kxw s PHE 293 N 0.17 3.26 -0.25 0.00 -0.71 -0.85 -1.07 117.98 118.53 3kxw s PHE 293 Ca 0.16 1.59 -0.04 0.00 -1.04 0.00 0.00 56.93 57.60 3kxw s PHE 293 Cb -0.17 -2.89 0.08 0.00 -1.21 0.00 0.00 43.02 38.84 3kxw s PHE 293 CO -0.05 -0.29 0.10 1.21 -1.34 0.00 0.00 175.22 174.86 3kxw s ASN 294 N -2.24 3.21 0.22 1.98 3.84 -0.49 -2.14 114.94 119.33 3kxw s ASN 294 Ca 0.63 -1.10 -0.17 0.00 0.21 0.00 0.00 52.86 52.43 3kxw s ASN 294 Cb -0.11 -0.42 0.02 0.00 -0.55 0.00 0.00 41.25 40.20 3kxw s ASN 294 CO 0.16 -0.40 0.55 -0.83 -2.79 0.00 0.00 177.10 173.80 3kxw s GLY 295 N 2.02 0.03 0.00 1.21 0.00 -1.07 -1.83 107.32 107.69 3kxw s GLY 295 Ca 0.06 -0.37 0.00 0.00 0.00 0.00 0.00 44.72 44.41 3kxw s GLY 295 CO -0.24 -0.30 0.00 0.00 0.00 0.00 0.00 173.10 172.56 3kxw n ALA 296 N -0.37 0.00 -3.83 3.20 0.00 -1.26 -3.12 120.51 115.12 3kxw n ALA 296 Ca -0.07 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.29 3kxw n ALA 296 Cb 0.62 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.07 3kxw n ALA 296 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.50 175.67 3kxw s GLU 297 N -0.65 1.99 0.26 0.00 -1.05 -1.26 -5.04 118.70 112.95 3kxw s GLU 297 Ca 0.00 -1.20 -0.31 0.00 -0.15 0.00 0.00 54.97 53.31 3kxw s GLU 297 Cb 0.00 0.61 -0.12 0.00 -0.44 0.00 0.00 34.13 34.18 3kxw s GLU 297 CO 0.00 -0.93 1.53 -2.30 0.95 0.00 0.00 175.26 174.51 3kxw n PRO 298 N -0.50 2.42 -3.40 -4.83 -0.02 -1.26 -4.72 135.00 122.69 3kxw n PRO 298 Ca -0.06 0.86 -0.38 0.00 -2.02 0.00 0.00 63.50 61.90 3kxw n PRO 298 Cb 0.59 -2.60 -0.08 0.00 -0.02 0.00 0.00 33.50 31.40 3kxw n PRO 298 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3kxw s VAL 299 N 0.07 5.21 -0.17 -1.45 1.01 -1.26 -4.65 120.40 119.16 3kxw s VAL 299 Ca 0.67 0.67 -0.03 0.00 0.00 0.00 0.00 61.98 63.29 3kxw s VAL 299 Cb -0.56 -3.71 -0.02 0.00 0.00 0.00 0.00 36.38 32.08 3kxw s VAL 299 CO 0.48 0.25 -0.06 -0.13 0.00 0.00 0.00 175.10 175.64 3kxw s ARG 300 N 1.34 3.54 0.20 2.72 0.52 -1.26 -4.40 118.95 121.61 3kxw s ARG 300 Ca 0.18 -0.58 -0.11 0.00 -0.52 0.00 0.00 55.73 54.70 3kxw s ARG 300 Cb -0.15 -2.88 0.21 0.00 0.52 0.00 0.00 34.95 32.65 3kxw s ARG 300 CO 0.08 0.13 1.77 1.49 0.02 0.00 0.00 175.30 178.79 3kxw h GLU 301 N 7.05 0.48 -0.66 3.54 4.57 -1.96 -2.93 114.58 124.68 3kxw h GLU 301 Ca -0.32 -0.03 0.01 0.00 -1.18 0.00 0.00 59.36 57.84 3kxw h GLU 301 Cb 1.19 -0.11 -0.04 0.00 -0.16 0.00 0.00 28.75 29.63 3kxw h GLU 301 CO 0.60 0.32 0.43 1.49 -1.18 0.00 0.00 179.01 180.67 3kxw h GLU 302 N 0.50 0.84 0.00 1.92 4.81 -1.97 -0.55 114.58 120.12 3kxw h GLU 302 Ca 0.27 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.45 3kxw h GLU 302 Cb 0.23 -0.19 0.00 0.00 0.63 0.00 0.00 28.75 29.42 3kxw h GLU 302 CO -0.22 0.56 0.00 2.41 -0.73 0.00 0.00 179.01 181.03 3kxw n THR 303 N -4.65 0.00 0.00 0.32 -1.04 -1.11 -1.05 114.28 106.75 3kxw n THR 303 Ca 0.06 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.07 3kxw n THR 303 Cb 0.04 -0.18 0.00 0.00 -1.82 0.00 0.00 70.33 68.37 3kxw n THR 303 CO 0.00 0.00 0.00 1.21 -0.64 0.00 0.00 175.07 175.64 3kxw n GLU 305 N 0.09 0.00 -0.21 -2.82 4.07 -0.22 -1.63 120.64 119.93 3kxw n GLU 305 Ca 0.00 0.00 -0.03 0.00 -0.06 0.00 0.00 57.16 57.07 3kxw n GLU 305 Cb 0.00 0.00 0.08 0.00 -0.06 0.00 0.00 31.44 31.46 3kxw n GLU 305 CO 0.00 0.00 0.00 0.45 -0.06 0.00 0.00 177.13 177.52 3kxw h HIS 306 N 0.00 0.61 -0.51 4.31 3.86 -1.34 -0.89 115.15 121.18 3kxw h HIS 306 Ca 0.00 0.02 -0.12 0.00 -1.16 0.00 0.00 60.37 59.12 3kxw h HIS 306 Cb 0.00 -0.18 -0.02 0.00 1.06 0.00 0.00 27.41 28.27 3kxw h HIS 306 CO 0.00 0.29 -0.13 0.35 0.86 0.00 0.00 177.93 179.30 3kxw h PHE 307 N 0.62 1.12 -0.23 2.45 3.57 -1.55 -1.67 116.94 121.25 3kxw h PHE 307 Ca 0.27 -0.24 -0.01 0.00 3.53 0.00 0.00 57.97 61.51 3kxw h PHE 307 Cb 0.16 -0.27 -0.01 0.00 2.79 0.00 0.00 35.95 38.62 3kxw h PHE 307 CO -0.09 1.06 0.10 -0.92 -2.23 0.00 0.00 178.31 176.23 3kxw h TYR 308 N 0.86 0.35 -0.61 0.41 3.20 -1.73 -1.82 116.97 117.63 3kxw h TYR 308 Ca 0.13 -0.03 -0.03 0.00 3.14 0.00 0.00 58.73 61.94 3kxw h TYR 308 Cb 0.70 -0.11 -0.03 0.00 1.54 0.00 0.00 36.73 38.84 3kxw h TYR 308 CO 0.05 0.38 0.25 1.96 -1.64 0.00 0.00 178.16 179.16 3kxw h GLN 309 N 0.23 0.89 0.00 1.82 1.08 -1.11 -0.11 115.11 117.91 3kxw h GLN 309 Ca 0.08 -0.14 -0.07 0.00 -1.45 0.00 0.00 58.65 57.07 3kxw h GLN 309 Cb 0.17 -0.16 -0.01 0.00 -0.05 0.00 0.00 27.48 27.44 3kxw h GLN 309 CO -0.01 0.72 -0.33 0.00 -0.95 0.00 0.00 178.83 178.27 3kxw h ALA 310 N 1.40 1.14 0.00 3.87 0.00 -0.96 -3.36 119.26 121.35 3kxw h ALA 310 Ca 0.21 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.82 3kxw h ALA 310 Cb 0.16 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.90 3kxw h ALA 310 CO -0.02 0.41 0.00 1.19 0.00 0.00 0.00 179.25 180.83 3kxw n PHE 311 N -3.69 0.00 -0.00 0.00 3.72 -0.71 -4.74 117.46 112.04 3kxw n PHE 311 Ca -0.01 0.00 0.08 0.00 -0.05 0.00 0.00 57.45 57.47 3kxw n PHE 311 Cb 0.43 0.00 0.49 0.00 -0.94 0.00 0.00 39.48 39.46 3kxw n PHE 311 CO 0.00 0.00 0.00 1.57 -0.05 0.00 0.00 176.76 178.28 3kxw h LYS 312 N 0.00 0.40 0.00 -1.08 2.10 -1.17 0.16 116.57 116.98 3kxw h LYS 312 Ca 0.00 -0.02 0.00 0.00 -2.00 0.00 0.00 60.65 58.63 3kxw h LYS 312 Cb 0.06 -0.09 0.00 0.00 -0.90 0.00 0.00 32.23 31.30 3kxw h LYS 312 CO 0.00 0.26 0.00 0.39 -2.00 0.00 0.00 179.45 178.10 3kxw n GLU 313 N -4.48 0.03 -0.76 0.07 -0.58 -1.26 -2.60 120.64 111.07 3kxw n GLU 313 Ca 0.05 0.28 -0.02 0.00 -0.42 0.00 0.00 57.16 57.05 3kxw n GLU 313 Cb 0.21 -1.56 0.20 0.00 -0.57 0.00 0.00 31.44 29.72 3kxw n GLU 313 CO 0.00 0.00 0.00 1.19 -0.48 0.00 0.00 177.13 177.84 3kxw n PHE 314 N -1.63 0.96 -0.22 -0.32 3.72 0.56 -4.95 117.46 115.59 3kxw n PHE 314 Ca 0.03 -1.54 0.00 0.00 -0.05 0.00 0.00 57.45 55.89 3kxw n PHE 314 Cb 0.18 -0.45 0.00 0.00 -0.94 0.00 0.00 39.48 38.27 3kxw n PHE 314 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3kxw n GLY 315 N -1.09 0.84 3.72 1.37 0.00 -1.07 -0.11 105.19 108.84 3kxw n GLY 315 Ca 0.31 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.91 3kxw n GLY 315 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3kxw s PHE 316 N -2.57 3.45 -0.07 1.61 5.36 -1.16 -3.51 117.98 121.08 3kxw s PHE 316 Ca 0.00 1.34 0.02 0.00 -0.96 0.00 0.00 56.93 57.34 3kxw s PHE 316 Cb 0.00 -3.41 -0.03 0.00 -0.34 0.00 0.00 43.02 39.24 3kxw s PHE 316 CO 0.00 -1.22 -0.12 1.03 -1.46 0.00 0.00 175.22 173.45 3kxw s ARG 317 N 0.73 2.71 0.50 10.12 0.52 -1.26 -4.17 118.95 128.10 3kxw s ARG 317 Ca 0.57 -0.65 0.24 0.00 -0.52 0.00 0.00 55.73 55.37 3kxw s ARG 317 Cb -0.30 -2.48 1.32 0.00 0.52 0.00 0.00 34.95 34.01 3kxw s ARG 317 CO 0.31 0.57 2.03 -0.22 0.02 0.00 0.00 175.30 178.01 3kxw h LYS 318 N 5.54 0.00 0.00 3.54 3.64 -1.95 -1.26 116.57 126.07 3kxw h LYS 318 Ca -0.44 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.94 3kxw h LYS 318 Cb 1.17 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.99 3kxw h LYS 318 CO 0.52 0.15 0.00 0.93 -2.27 0.00 0.00 179.45 178.78 3kxw h GLU 319 N 0.00 0.00 0.00 1.90 3.07 -1.88 -1.93 114.58 115.73 3kxw h GLU 319 Ca -0.00 0.00 -0.06 0.00 -0.50 0.00 0.00 59.36 58.80 3kxw h GLU 319 Cb 0.37 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.27 3kxw h GLU 319 CO 0.02 0.00 -0.29 0.00 -1.40 0.00 0.00 179.01 177.34 3kxw h ALA 320 N 2.04 1.31 -2.73 3.43 0.00 -1.41 -3.32 119.26 118.59 3kxw h ALA 320 Ca 0.00 -0.26 -0.53 0.00 0.00 0.00 0.00 54.91 54.12 3kxw h ALA 320 Cb 0.18 -0.05 0.06 0.00 0.00 0.00 0.00 17.79 17.99 3kxw h ALA 320 CO 0.00 0.36 0.85 -0.06 0.00 0.00 0.00 179.25 180.40 3kxw s PHE 321 N -4.12 2.93 -0.42 0.00 0.08 -0.73 -0.61 117.98 115.12 3kxw s PHE 321 Ca -0.02 0.79 0.02 0.00 0.12 0.00 0.00 56.93 57.84 3kxw s PHE 321 Cb 0.14 -3.95 0.15 0.00 -0.57 0.00 0.00 43.02 38.78 3kxw s PHE 321 CO 0.68 -3.29 0.27 -0.47 -0.10 0.00 0.00 175.22 172.31 3kxw s TYR 322 N 0.36 1.39 0.44 0.36 5.04 -0.23 -4.62 117.35 120.10 3kxw s TYR 322 Ca 0.64 -2.16 -0.25 0.00 -2.44 0.00 0.00 57.07 52.86 3kxw s TYR 322 Cb -0.45 -1.33 -0.08 0.00 0.35 0.00 0.00 41.96 40.44 3kxw s TYR 322 CO 0.41 -0.79 1.42 -2.14 -1.34 0.00 0.00 175.55 173.10 3kxw s PRO 323 N 0.43 3.72 0.13 4.97 0.02 -1.26 -1.39 135.00 141.62 3kxw s PRO 323 Ca 0.22 2.39 -0.16 0.00 0.02 0.00 0.00 61.00 63.48 3kxw s PRO 323 Cb -0.16 -2.67 0.03 0.00 0.02 0.00 0.00 34.50 31.73 3kxw s PRO 323 CO -0.06 -0.78 0.40 0.00 -0.33 0.00 0.00 177.00 176.23 3kxw s TYR 325 N -3.81 1.11 -0.06 0.00 5.04 -0.58 -4.29 117.35 114.76 3kxw s TYR 325 Ca 0.03 -0.36 -0.26 0.00 -2.44 0.00 0.00 57.07 54.05 3kxw s TYR 325 Cb 0.02 -0.66 0.08 0.00 0.35 0.00 0.00 41.96 41.76 3kxw s TYR 325 CO -0.12 0.02 1.16 0.41 -1.34 0.00 0.00 175.55 175.68 3kxw n GLY 326 N 1.90 0.18 3.47 8.97 0.00 -1.26 -0.96 105.19 117.49 3kxw n GLY 326 Ca -0.18 -1.00 -0.11 0.00 0.00 0.00 0.00 46.02 44.73 3kxw n GLY 326 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 3kxw s LEU 327 N 0.00 -0.52 0.39 0.99 0.05 -0.92 -4.87 118.68 113.80 3kxw s LEU 327 Ca 0.28 -0.06 0.06 0.00 0.05 0.00 0.00 54.13 54.46 3kxw s LEU 327 Cb -0.00 2.56 0.77 0.00 -2.05 0.00 0.00 46.19 47.47 3kxw s LEU 327 CO -0.02 -0.97 1.99 0.00 -0.55 0.00 0.00 176.35 176.80 3kxw h ALA 328 N 2.00 1.58 0.00 1.48 0.00 -1.87 -1.14 119.26 121.32 3kxw h ALA 328 Ca -0.31 -0.10 -0.00 0.00 0.00 0.00 0.00 54.91 54.50 3kxw h ALA 328 Cb 1.30 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.93 3kxw h ALA 328 CO 0.36 0.33 -0.00 0.93 0.00 0.00 0.00 179.25 180.86 3kxw h GLU 329 N 0.51 0.00 -0.43 0.00 3.07 -1.95 0.15 114.58 115.93 3kxw h GLU 329 Ca 0.13 0.00 -0.20 0.00 -0.50 0.00 0.00 59.36 58.79 3kxw h GLU 329 Cb 0.10 0.00 -0.12 0.00 -0.84 0.00 0.00 28.75 27.89 3kxw h GLU 329 CO -0.01 0.00 0.03 0.00 -1.40 0.00 0.00 179.01 177.63 3kxw n ALA 330 N -2.09 4.32 0.00 3.43 0.00 -0.44 -0.94 120.51 124.80 3kxw n ALA 330 Ca -0.02 -3.00 0.00 0.00 0.00 0.00 0.00 53.44 50.43 3kxw n ALA 330 Cb 0.16 -0.83 0.00 0.00 0.00 0.00 0.00 19.45 18.77 3kxw n ALA 330 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 3kxw n THR 331 N -1.04 0.00 0.00 0.00 -1.04 0.04 -4.37 114.28 107.87 3kxw n THR 331 Ca 0.35 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.36 3kxw n THR 331 Cb 1.11 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.62 3kxw n THR 331 CO 0.00 0.00 0.00 -0.11 -0.64 0.00 0.00 175.07 174.32 3kxw n LEU 332 N 0.00 0.00 -4.69 -4.42 7.94 -1.23 -4.40 117.00 110.20 3kxw n LEU 332 Ca 0.00 0.00 -0.42 0.00 -1.11 0.00 0.00 56.01 54.48 3kxw n LEU 332 Cb 0.00 0.00 -0.03 0.00 0.53 0.00 0.00 43.42 43.92 3kxw n LEU 332 CO 0.00 0.00 0.66 -0.22 -1.11 0.00 0.00 177.39 176.72 3kxw s LEU 333 N -1.61 4.24 -0.08 -1.96 2.96 -1.26 -2.15 118.68 118.83 3kxw s LEU 333 Ca 0.00 1.37 -0.03 0.00 -0.22 0.00 0.00 54.13 55.26 3kxw s LEU 333 Cb 0.00 -3.38 -0.04 0.00 0.50 0.00 0.00 46.19 43.27 3kxw s LEU 333 CO 0.00 -0.36 -0.09 0.52 -1.32 0.00 0.00 176.35 175.10 3kxw n VAL 334 N 4.44 0.43 -4.12 1.68 0.31 -0.14 -4.61 118.33 116.32 3kxw n VAL 334 Ca 0.06 -0.12 -0.15 0.00 -0.01 0.00 0.00 64.34 64.11 3kxw n VAL 334 Cb 0.49 -1.36 -0.12 0.00 -0.91 0.00 0.00 33.84 31.95 3kxw n VAL 334 CO 0.00 0.00 0.00 0.42 -1.32 0.00 0.00 176.83 175.93 3kxw s THR 335 N -2.14 0.82 -0.17 2.52 -4.23 -0.71 -0.26 115.64 111.47 3kxw s THR 335 Ca -0.11 -1.23 -0.32 0.00 -1.18 0.00 0.00 61.69 58.85 3kxw s THR 335 Cb 0.04 -0.88 0.14 0.00 1.34 0.00 0.00 72.50 73.14 3kxw s THR 335 CO 0.15 -0.33 1.13 -0.83 -0.54 0.00 0.00 174.62 174.19 3kxw s GLY 336 N -1.73 -0.26 0.00 3.99 0.00 -0.77 -1.52 107.32 107.02 3kxw s GLY 336 Ca -0.05 1.78 0.00 0.00 0.00 0.00 0.00 44.72 46.45 3kxw s GLY 336 CO 0.01 0.69 0.00 0.61 0.00 0.00 0.00 173.10 174.42 3kxw n GLY 337 N 0.15 1.27 3.58 0.20 0.00 -1.26 -1.54 105.19 107.59 3kxw n GLY 337 Ca -0.04 -1.70 -0.37 0.00 0.00 0.00 0.00 46.02 43.91 3kxw n GLY 337 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3kxw s THR 338 N 1.35 5.15 0.34 2.61 2.01 -1.26 -4.86 115.64 120.98 3kxw s THR 338 Ca 0.00 0.12 -0.28 0.00 0.31 0.00 0.00 61.69 61.83 3kxw s THR 338 Cb 0.00 -3.44 -0.12 0.00 0.01 0.00 0.00 72.50 68.95 3kxw s THR 338 CO 0.00 0.28 1.28 -2.65 -0.69 0.00 0.00 174.62 172.85 3kxw n PRO 339 N 4.90 2.10 0.00 4.92 -0.02 -1.26 -1.89 135.00 143.75 3kxw n PRO 339 Ca -0.15 0.74 0.00 0.00 -2.02 0.00 0.00 63.50 62.07 3kxw n PRO 339 Cb 0.52 -2.31 0.00 0.00 -0.02 0.00 0.00 33.50 31.69 3kxw n PRO 339 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3kxw n GLY 340 N 0.82 2.94 3.86 -1.23 0.00 -1.25 -5.03 105.19 105.30 3kxw n GLY 340 Ca 0.05 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.76 3kxw n GLY 340 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3kxw s SER 341 N -1.60 6.53 -0.01 1.61 0.15 -0.79 -4.81 113.70 114.78 3kxw s SER 341 Ca 0.00 1.36 -0.30 0.00 0.70 0.00 0.00 55.95 57.71 3kxw s SER 341 Cb 0.00 -2.42 -0.04 0.00 -1.71 0.00 0.00 66.02 61.85 3kxw s SER 341 CO 0.00 -0.54 1.21 -0.44 1.20 0.00 0.00 173.24 174.67 3kxw s SER 342 N -3.26 7.05 0.63 5.45 0.01 -1.26 -4.81 113.70 117.51 3kxw s SER 342 Ca 0.55 1.90 -0.18 0.00 1.31 0.00 0.00 55.95 59.54 3kxw s SER 342 Cb -0.10 -2.57 -0.02 0.00 0.21 0.00 0.00 66.02 63.55 3kxw s SER 342 CO 0.34 -0.55 1.20 -0.72 0.41 0.00 0.00 173.24 173.91 3kxw s TYR 343 N 1.84 2.34 0.28 2.43 -0.85 -1.26 -5.01 117.35 117.12 3kxw s TYR 343 Ca 0.57 1.54 -0.07 0.00 -0.52 0.00 0.00 57.07 58.60 3kxw s TYR 343 Cb -0.27 -3.44 -0.06 0.00 0.38 0.00 0.00 41.96 38.57 3kxw s TYR 343 CO 0.25 -2.24 0.57 0.15 -1.52 0.00 0.00 175.55 172.75 3kxw s LYS 344 N -3.54 3.69 0.14 -3.49 1.02 -1.26 -4.98 119.74 111.32 3kxw s LYS 344 Ca 0.76 0.11 0.05 0.00 0.02 0.00 0.00 55.97 56.91 3kxw s LYS 344 Cb -0.29 -2.63 -0.04 0.00 -0.52 0.00 0.00 37.83 34.35 3kxw s LYS 344 CO 0.37 0.22 -0.11 0.95 -0.92 0.00 0.00 175.35 175.85 3kxw s THR 345 N -2.03 1.24 0.09 2.17 -4.23 -1.26 -0.79 115.64 110.82 3kxw s THR 345 Ca 0.45 -1.98 0.07 0.00 -1.18 0.00 0.00 61.69 59.05 3kxw s THR 345 Cb -0.11 -1.77 -0.03 0.00 1.34 0.00 0.00 72.50 71.93 3kxw s THR 345 CO 0.28 -0.65 -0.18 -0.76 -0.54 0.00 0.00 174.62 172.77 3kxw s LEU 346 N -2.99 2.28 -0.27 4.79 1.43 -0.03 -4.96 118.68 118.94 3kxw s LEU 346 Ca 0.15 -0.65 -0.06 0.00 -1.03 0.00 0.00 54.13 52.54 3kxw s LEU 346 Cb 0.00 -0.71 -0.00 0.00 0.03 0.00 0.00 46.19 45.51 3kxw s LEU 346 CO 0.02 -0.00 0.05 -0.89 0.23 0.00 0.00 176.35 175.76 3kxw s THR 347 N -1.20 3.92 0.07 5.49 2.01 -1.26 -0.55 115.64 124.12 3kxw s THR 347 Ca 0.02 -0.54 0.00 0.00 0.31 0.00 0.00 61.69 61.48 3kxw s THR 347 Cb -0.10 -2.94 -0.04 0.00 0.01 0.00 0.00 72.50 69.43 3kxw s THR 347 CO 0.03 0.20 0.22 -0.76 -0.69 0.00 0.00 174.62 173.62 3kxw s LEU 348 N 1.52 4.36 0.61 4.42 1.43 0.51 -1.28 118.68 130.25 3kxw s LEU 348 Ca 0.04 0.26 -0.16 0.00 -1.03 0.00 0.00 54.13 53.24 3kxw s LEU 348 Cb -0.16 -2.96 -0.02 0.00 0.03 0.00 0.00 46.19 43.08 3kxw s LEU 348 CO 0.02 0.15 1.10 0.00 0.23 0.00 0.00 176.35 177.85 3kxw s ALA 349 N -1.54 2.59 0.24 4.21 0.00 0.17 -1.55 121.76 125.87 3kxw s ALA 349 Ca 0.35 0.59 -0.06 0.00 0.00 0.00 0.00 51.96 52.84 3kxw s ALA 349 Cb -0.13 -3.31 0.31 0.00 0.00 0.00 0.00 23.12 19.99 3kxw s ALA 349 CO 0.28 -1.03 1.86 -0.22 0.00 0.00 0.00 175.76 176.66 3kxw h LYS 350 N 0.45 1.00 -5.28 0.00 3.64 -1.82 -3.39 116.57 111.16 3kxw h LYS 350 Ca -0.48 -0.06 -0.63 0.00 -1.27 0.00 0.00 60.65 58.21 3kxw h LYS 350 Cb 1.24 -0.23 -0.14 0.00 -0.41 0.00 0.00 32.23 32.70 3kxw h LYS 350 CO 0.56 0.66 -0.07 -2.00 -2.27 0.00 0.00 179.45 176.33 3kxw s GLU 351 N -6.08 3.90 0.00 1.90 2.56 -1.26 -4.91 118.70 114.80 3kxw s GLU 351 Ca -0.13 0.10 0.13 0.00 0.00 0.00 0.00 54.97 55.07 3kxw s GLU 351 Cb 0.18 -3.71 0.22 0.00 2.00 0.00 0.00 34.13 32.82 3kxw s GLU 351 CO 0.79 -0.45 1.09 1.04 -0.56 0.00 0.00 175.26 177.18 3kxw n GLN 352 N 5.58 1.76 0.00 4.30 1.13 -1.26 -4.82 117.38 124.06 3kxw n GLN 352 Ca -0.05 -1.68 0.00 0.00 -1.94 0.00 0.00 57.00 53.33 3kxw n GLN 352 Cb 0.50 -1.28 0.00 0.00 0.11 0.00 0.00 30.24 29.57 3kxw n GLN 352 CO 0.00 0.00 0.00 1.19 -1.44 0.00 0.00 177.06 176.81 3kxw n PHE 353 N 0.71 0.00 -0.94 1.08 3.72 -1.26 -4.39 117.46 116.38 3kxw n PHE 353 Ca 0.10 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.50 3kxw n PHE 353 Cb 0.38 0.04 0.00 0.00 -0.94 0.00 0.00 39.48 38.97 3kxw n PHE 353 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 176.76 177.75 3kxw n GLN 354 N 13.55 0.01 0.00 -1.08 1.13 -1.26 -4.85 117.38 124.89 3kxw n GLN 354 Ca 0.00 -0.20 0.15 0.00 -1.94 0.00 0.00 57.00 55.02 3kxw n GLN 354 Cb 0.00 -0.53 0.86 0.00 0.11 0.00 0.00 30.24 30.68 3kxw n GLN 354 CO 0.00 0.00 0.00 -0.40 -1.44 0.00 0.00 177.06 175.22 3kxw n ASP 355 N -0.01 0.09 0.00 1.08 5.68 -1.26 -4.87 116.55 117.26 3kxw n ASP 355 Ca 0.00 -0.75 0.00 0.00 -0.50 0.00 0.00 54.79 53.54 3kxw n ASP 355 Cb 0.31 -0.09 0.00 0.00 -1.14 0.00 0.00 41.12 40.20 3kxw n ASP 355 CO 0.00 0.00 0.00 1.41 -1.33 0.00 0.00 177.20 177.28 3kxw n HIS 356 N -1.03 0.00 -3.06 2.11 8.25 -1.26 -4.98 115.22 115.25 3kxw n HIS 356 Ca 0.20 0.00 -0.30 0.00 -0.26 0.00 0.00 57.72 57.37 3kxw n HIS 356 Cb 0.17 -0.87 -0.03 0.00 1.12 0.00 0.00 29.99 30.37 3kxw n HIS 356 CO 0.00 0.00 0.00 1.03 0.64 0.00 0.00 176.34 178.01 3kxw s ARG 357 N -0.65 3.74 -0.00 -0.41 0.52 -1.26 -0.81 118.95 120.07 3kxw s ARG 357 Ca 0.00 0.30 -0.26 0.00 -0.52 0.00 0.00 55.73 55.25 3kxw s ARG 357 Cb 0.00 -2.49 -0.04 0.00 0.52 0.00 0.00 34.95 32.94 3kxw s ARG 357 CO 0.00 0.07 0.82 0.08 0.02 0.00 0.00 175.30 176.29 3kxw s VAL 358 N -2.23 4.86 -0.22 3.52 1.01 -0.32 -4.89 120.40 122.14 3kxw s VAL 358 Ca 0.49 1.72 -0.03 0.00 0.00 0.00 0.00 61.98 64.16 3kxw s VAL 358 Cb -0.10 -4.16 0.00 0.00 0.00 0.00 0.00 36.38 32.11 3kxw s VAL 358 CO 0.30 0.26 -0.06 -1.00 0.00 0.00 0.00 175.10 174.60 3kxw s HIS 359 N 0.55 2.96 0.32 5.22 0.09 -1.26 -5.00 115.29 118.16 3kxw s HIS 359 Ca 0.43 -1.14 0.04 0.00 -0.00 0.00 0.00 55.06 54.39 3kxw s HIS 359 Cb -0.20 -2.08 -0.02 0.00 -0.00 0.00 0.00 32.58 30.28 3kxw s HIS 359 CO 0.23 -0.62 0.47 -0.06 -0.00 0.00 0.00 174.74 174.77 3kxw s PHE 360 N 1.43 3.31 0.09 1.40 0.08 -1.26 -0.66 117.98 122.38 3kxw s PHE 360 Ca 0.05 0.01 -0.06 0.00 0.12 0.00 0.00 56.93 57.04 3kxw s PHE 360 Cb -0.15 -1.87 -0.01 0.00 -0.57 0.00 0.00 43.02 40.42 3kxw s PHE 360 CO -0.05 0.12 0.14 0.00 -0.10 0.00 0.00 175.22 175.34 3kxw s ALA 361 N -2.18 0.05 0.56 5.36 0.00 -0.40 -4.28 121.76 120.86 3kxw s ALA 361 Ca 0.41 -0.85 -0.21 0.00 0.00 0.00 0.00 51.96 51.31 3kxw s ALA 361 Cb -0.09 0.52 -0.04 0.00 0.00 0.00 0.00 23.12 23.50 3kxw s ALA 361 CO 0.32 -0.50 1.30 -0.51 0.00 0.00 0.00 175.76 176.37 3kxw s ASP 362 N -2.90 5.28 0.00 0.00 1.01 -1.26 -4.64 116.67 114.15 3kxw s ASP 362 Ca 0.09 2.62 0.00 0.00 0.71 0.00 0.00 52.55 55.97 3kxw s ASP 362 Cb 0.06 -2.62 0.00 0.00 1.01 0.00 0.00 42.92 41.36 3kxw s ASP 362 CO -0.08 -1.55 0.30 0.47 0.21 0.00 0.00 175.17 174.52 3kxw n ASP 363 N -1.17 0.00 -0.37 0.27 10.43 -1.26 -0.23 116.55 124.22 3kxw n ASP 363 Ca 0.11 0.03 -0.00 0.00 2.57 0.00 0.00 54.79 57.50 3kxw n ASP 363 Cb 0.47 -0.03 -0.00 0.00 1.84 0.00 0.00 41.12 43.39 3kxw n ASP 363 CO 0.00 0.00 0.00 -0.46 -1.07 0.00 0.00 177.20 175.67 3kxw n ASN 364 N -0.80 -0.02 -3.24 -2.24 2.04 -1.26 -5.06 115.26 104.67 3kxw n ASN 364 Ca 0.00 -0.73 -0.30 0.00 -0.44 0.00 0.00 54.58 53.12 3kxw n ASN 364 Cb 0.03 0.01 0.01 0.00 -2.53 0.00 0.00 39.78 37.30 3kxw n ASN 364 CO 0.00 0.00 0.00 -0.24 -0.44 0.00 0.00 177.26 176.58 3kxw n SER 365 N 0.00 -3.38 -4.71 0.53 2.88 0.68 -4.75 113.62 104.86 3kxw n SER 365 Ca -0.01 0.40 -0.43 0.00 -1.33 0.00 0.00 58.87 57.51 3kxw n SER 365 Cb 0.36 -0.64 -0.03 0.00 -0.75 0.00 0.00 64.21 63.15 3kxw n SER 365 CO 0.00 0.00 0.00 -2.65 -1.23 0.00 0.00 175.04 171.16 3kxw n PRO 366 N 1.39 2.52 -0.83 -1.46 -0.02 -1.26 -2.13 135.00 133.22 3kxw n PRO 366 Ca 0.04 0.91 0.00 0.00 -2.02 0.00 0.00 63.50 62.43 3kxw n PRO 366 Cb 0.39 -2.70 0.00 0.00 -0.02 0.00 0.00 33.50 31.17 3kxw n PRO 366 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3kxw n GLY 367 N 3.16 0.65 3.75 -1.23 0.00 -1.26 -4.62 105.19 105.64 3kxw n GLY 367 Ca 0.14 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.84 3kxw n GLY 367 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3kxw s SER 368 N -2.65 4.38 0.07 1.61 1.04 -0.91 -3.59 113.70 113.65 3kxw s SER 368 Ca 0.00 1.96 -0.06 0.00 0.48 0.00 0.00 55.95 58.32 3kxw s SER 368 Cb 0.00 -2.54 -0.01 0.00 0.10 0.00 0.00 66.02 63.57 3kxw s SER 368 CO 0.00 -2.12 0.12 -0.72 0.98 0.00 0.00 173.24 171.50 3kxw s TYR 369 N -2.67 0.23 -0.10 5.02 -0.85 -0.60 -4.94 117.35 113.45 3kxw s TYR 369 Ca 0.64 -0.64 -0.02 0.00 -0.52 0.00 0.00 57.07 56.53 3kxw s TYR 369 Cb -0.20 -0.14 -0.03 0.00 0.38 0.00 0.00 41.96 41.97 3kxw s TYR 369 CO 0.52 -0.46 -0.01 0.15 -1.52 0.00 0.00 175.55 174.22 3kxw s LYS 370 N -3.51 3.07 0.01 -3.49 1.02 -1.26 -0.36 119.74 115.22 3kxw s LYS 370 Ca 0.03 -0.44 0.04 0.00 0.02 0.00 0.00 55.97 55.61 3kxw s LYS 370 Cb 0.04 -2.79 -0.03 0.00 -0.52 0.00 0.00 37.83 34.53 3kxw s LYS 370 CO -0.09 0.62 -0.08 -0.51 -0.92 0.00 0.00 175.35 174.37 3kxw s LEU 371 N -0.65 3.12 -0.10 3.17 1.43 0.29 -4.84 118.68 121.10 3kxw s LEU 371 Ca 0.10 -0.17 -0.10 0.00 -1.03 0.00 0.00 54.13 52.93 3kxw s LEU 371 Cb -0.12 -1.79 -0.05 0.00 0.03 0.00 0.00 46.19 44.27 3kxw s LEU 371 CO 0.02 0.28 0.24 -0.69 0.23 0.00 0.00 176.35 176.43 3kxw s VAL 372 N -0.99 5.34 0.21 -1.59 1.01 -1.26 -0.85 120.40 122.27 3kxw s VAL 372 Ca 0.17 0.43 -0.30 0.00 0.00 0.00 0.00 61.98 62.28 3kxw s VAL 372 Cb -0.11 -3.53 -0.09 0.00 0.00 0.00 0.00 36.38 32.65 3kxw s VAL 372 CO 0.07 0.56 1.38 -0.55 0.00 0.00 0.00 175.10 176.56 3kxw s SER 373 N -0.71 6.78 0.00 3.32 0.15 0.03 -4.58 113.70 118.69 3kxw s SER 373 Ca 0.17 2.51 0.14 0.00 0.70 0.00 0.00 55.95 59.47 3kxw s SER 373 Cb -0.13 -2.61 0.45 0.00 -1.71 0.00 0.00 66.02 62.01 3kxw s SER 373 CO 0.06 -0.62 1.35 -1.20 1.20 0.00 0.00 173.24 174.03 3kxw n SER 374 N 2.65 1.76 0.00 5.45 7.64 0.60 -4.69 113.62 127.03 3kxw n SER 374 Ca 0.07 -1.90 0.00 0.00 1.01 0.00 0.00 58.87 58.05 3kxw n SER 374 Cb 0.41 -0.19 0.00 0.00 -1.01 0.00 0.00 64.21 63.43 3kxw n SER 374 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3kxw n GLY 375 N 1.07 -1.91 3.86 0.23 0.00 -1.25 -2.66 105.19 104.52 3kxw n GLY 375 Ca 0.13 -2.07 -0.32 0.00 0.00 0.00 0.00 46.02 43.76 3kxw n GLY 375 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3kxw s ASN 376 N -3.54 6.67 0.10 1.61 0.01 -0.59 -1.27 114.94 117.93 3kxw s ASN 376 Ca 0.00 1.22 -0.31 0.00 -0.71 0.00 0.00 52.86 53.06 3kxw s ASN 376 Cb 0.00 -2.35 -0.10 0.00 0.41 0.00 0.00 41.25 39.21 3kxw s ASN 376 CO 0.00 -0.28 1.89 -2.84 -1.51 0.00 0.00 177.10 174.36 3kxw s PRO 377 N -3.32 4.13 -0.26 -0.60 0.02 -1.26 -1.85 135.00 131.87 3kxw s PRO 377 Ca 0.53 2.62 -0.06 0.00 0.02 0.00 0.00 61.00 64.11 3kxw s PRO 377 Cb -0.10 -3.78 -0.15 0.00 0.02 0.00 0.00 34.50 30.48 3kxw s PRO 377 CO 0.23 -0.89 -0.24 -0.89 -0.33 0.00 0.00 177.00 174.88 3kxw n ILE 378 N 5.01 1.52 -2.60 2.83 5.41 0.64 -4.86 119.36 127.31 3kxw n ILE 378 Ca 0.19 -0.48 -0.30 0.00 1.00 0.00 0.00 62.75 63.16 3kxw n ILE 378 Cb 0.39 -1.65 -0.02 0.00 -0.71 0.00 0.00 39.64 37.66 3kxw n ILE 378 CO 0.00 0.00 0.00 -1.10 0.00 0.00 0.00 176.55 175.45 3kxw s GLN 379 N -2.51 3.69 0.18 0.38 -0.21 -0.73 -5.03 119.66 115.43 3kxw s GLN 379 Ca -0.36 0.47 -0.32 0.00 0.02 0.00 0.00 55.36 55.17 3kxw s GLN 379 Cb 0.11 -2.32 -0.11 0.00 1.00 0.00 0.00 33.01 31.70 3kxw s GLN 379 CO 0.56 -0.19 1.64 -2.00 -2.12 0.00 0.00 175.29 173.19 3kxw s GLU 380 N -4.34 4.17 -0.11 2.91 2.12 -0.88 -4.90 118.70 117.66 3kxw s GLU 380 Ca 0.51 2.47 0.02 0.00 0.36 0.00 0.00 54.97 58.33 3kxw s GLU 380 Cb -0.10 -3.14 0.01 0.00 0.26 0.00 0.00 34.13 31.16 3kxw s GLU 380 CO 0.39 -0.68 -0.17 0.08 -0.54 0.00 0.00 175.26 174.34 3kxw s VAL 381 N 1.24 1.62 0.04 3.70 1.01 -1.26 -1.41 120.40 125.34 3kxw s VAL 381 Ca 0.72 -0.72 0.08 0.00 0.00 0.00 0.00 61.98 62.07 3kxw s VAL 381 Cb -0.46 -1.46 -0.03 0.00 0.00 0.00 0.00 36.38 34.43 3kxw s VAL 381 CO 0.32 0.46 -0.23 -0.54 0.00 0.00 0.00 175.10 175.11 3kxw s LYS 382 N 0.90 1.94 -0.35 2.72 1.02 0.22 -4.98 119.74 121.21 3kxw s LYS 382 Ca -0.08 -1.04 -0.12 0.00 0.02 0.00 0.00 55.97 54.75 3kxw s LYS 382 Cb -0.15 -2.07 -0.00 0.00 -0.52 0.00 0.00 37.83 35.08 3kxw s LYS 382 CO -0.01 0.53 0.22 0.42 -0.92 0.00 0.00 175.35 175.59 3kxw s ILE 383 N -0.84 5.01 -0.07 2.17 -1.09 -1.26 -0.35 121.20 124.77 3kxw s ILE 383 Ca 0.13 -0.42 0.03 0.00 -2.23 0.00 0.00 60.65 58.16 3kxw s ILE 383 Cb -0.10 -3.63 0.00 0.00 -1.58 0.00 0.00 42.46 37.15 3kxw s ILE 383 CO 0.03 -0.06 -0.17 -0.63 -1.23 0.00 0.00 174.94 172.87 3kxw s ILE 384 N 1.67 1.50 0.07 2.92 -1.09 -0.23 -0.29 121.20 125.75 3kxw s ILE 384 Ca 0.05 -0.71 -0.30 0.00 -2.23 0.00 0.00 60.65 57.45 3kxw s ILE 384 Cb -0.18 -1.32 -0.10 0.00 -1.58 0.00 0.00 42.46 39.29 3kxw s ILE 384 CO 0.09 0.44 1.93 -0.62 -1.23 0.00 0.00 174.94 175.55 3kxw s ASP 385 N 0.38 6.43 0.30 3.58 -1.08 -0.64 0.20 116.67 125.84 3kxw s ASP 385 Ca -0.13 2.72 0.26 0.00 -0.52 0.00 0.00 52.55 54.88 3kxw s ASP 385 Cb -0.15 -2.54 0.99 0.00 -1.46 0.00 0.00 42.92 39.76 3kxw s ASP 385 CO 0.05 -1.04 1.76 1.55 0.52 0.00 0.00 175.17 178.01 3kxw h PRO 386 N 9.94 0.00 0.00 4.34 0.13 -1.93 0.26 132.00 144.74 3kxw h PRO 386 Ca -0.49 0.00 -0.34 0.00 -0.87 0.00 0.00 66.00 64.31 3kxw h PRO 386 Cb 1.23 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.31 3kxw h PRO 386 CO 0.94 0.00 -2.02 -0.25 -0.23 0.00 0.00 178.00 176.44 3kxw n ASP 387 N -2.41 1.93 0.14 1.44 8.00 -1.26 -4.58 116.55 119.81 3kxw n ASP 387 Ca 0.03 0.36 0.11 0.00 0.71 0.00 0.00 54.79 56.00 3kxw n ASP 387 Cb 0.29 -0.83 0.05 0.00 -0.02 0.00 0.00 41.12 40.61 3kxw n ASP 387 CO 0.00 0.00 0.00 0.71 -0.39 0.00 0.00 177.20 177.52 3kxw h THR 388 N -1.00 0.05 -0.48 -3.53 1.35 -1.97 -3.47 112.91 103.86 3kxw h THR 388 Ca -0.51 -1.09 -0.21 0.00 -0.55 0.00 0.00 66.41 64.06 3kxw h THR 388 Cb 1.43 1.73 -0.08 0.00 -1.73 0.00 0.00 68.15 69.49 3kxw h THR 388 CO -0.31 0.03 -0.19 0.18 -0.25 0.00 0.00 175.52 174.98 3kxw n LEU 389 N -2.85 -0.63 -4.79 3.87 4.77 0.92 -4.73 117.00 113.56 3kxw n LEU 389 Ca 0.01 0.25 -0.38 0.00 -0.03 0.00 0.00 56.01 55.86 3kxw n LEU 389 Cb 0.56 -1.84 -0.06 0.00 -2.33 0.00 0.00 43.42 39.76 3kxw n LEU 389 CO 0.38 -0.62 0.08 -0.63 -1.33 0.00 0.00 177.39 175.26 3kxw s ILE 390 N -2.27 5.15 0.43 -0.08 1.01 -1.25 -2.07 121.20 122.11 3kxw s ILE 390 Ca 0.00 0.76 -0.25 0.00 0.00 0.00 0.00 60.65 61.16 3kxw s ILE 390 Cb 0.00 -3.70 -0.10 0.00 0.01 0.00 0.00 42.46 38.68 3kxw s ILE 390 CO 0.00 0.49 1.21 -2.65 0.00 0.00 0.00 174.94 173.99 3kxw n PRO 391 N 2.57 1.78 -3.29 2.79 -0.02 -1.26 -1.62 135.00 135.95 3kxw n PRO 391 Ca -0.12 0.64 -0.32 0.00 -2.02 0.00 0.00 63.50 61.67 3kxw n PRO 391 Cb 0.52 -2.31 -0.05 0.00 -0.02 0.00 0.00 33.50 31.64 3kxw n PRO 391 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3kxw s ASP 393 N -2.48 3.35 0.63 0.00 1.01 -1.26 -4.84 116.67 113.09 3kxw s ASP 393 Ca 0.49 1.79 -0.18 0.00 0.71 0.00 0.00 52.55 55.36 3kxw s ASP 393 Cb -0.11 -2.40 -0.02 0.00 1.01 0.00 0.00 42.92 41.40 3kxw s ASP 393 CO 0.22 -2.76 1.23 0.49 0.21 0.00 0.00 175.17 174.55 3kxw n PHE 394 N -3.99 1.72 -2.01 4.23 3.72 -1.26 -1.82 117.46 118.04 3kxw n PHE 394 Ca 0.09 0.42 -0.21 0.00 -0.05 0.00 0.00 57.45 57.70 3kxw n PHE 394 Cb 0.54 -2.25 -0.05 0.00 -0.94 0.00 0.00 39.48 36.78 3kxw n PHE 394 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 176.76 176.46 3kxw n ASP 395 N -1.62 -5.73 -4.09 4.37 8.00 -0.56 -4.99 116.55 111.94 3kxw n ASP 395 Ca 0.15 0.24 -0.27 0.00 0.71 0.00 0.00 54.79 55.62 3kxw n ASP 395 Cb 0.48 -4.89 -0.17 0.00 -0.02 0.00 0.00 41.12 36.52 3kxw n ASP 395 CO 0.00 0.00 0.00 -1.58 -0.39 0.00 0.00 177.20 175.23 3kxw s GLN 396 N -4.42 2.13 -0.09 -1.24 0.74 -0.76 -1.17 119.66 114.86 3kxw s GLN 396 Ca 0.00 -0.57 -0.27 0.00 0.05 0.00 0.00 55.36 54.57 3kxw s GLN 396 Cb 0.00 -1.69 -0.02 0.00 1.10 0.00 0.00 33.01 32.39 3kxw s GLN 396 CO 0.00 0.08 0.89 0.08 -0.55 0.00 0.00 175.29 175.79 3kxw s VAL 397 N 0.54 4.89 0.03 1.34 1.01 0.01 -4.57 120.40 123.65 3kxw s VAL 397 Ca -0.16 1.81 -0.00 0.00 0.00 0.00 0.00 61.98 63.63 3kxw s VAL 397 Cb -0.16 -4.21 0.00 0.00 0.00 0.00 0.00 36.38 32.01 3kxw s VAL 397 CO 0.05 0.11 0.05 0.61 0.00 0.00 0.00 175.10 175.92 3kxw n GLY 398 N 3.14 2.89 3.76 4.51 0.00 -0.73 -4.89 105.19 113.87 3kxw n GLY 398 Ca 0.05 -1.35 -0.39 0.00 0.00 0.00 0.00 46.02 44.33 3kxw n GLY 398 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3kxw s GLU 399 N -2.06 4.66 -0.37 1.61 2.12 0.13 -1.54 118.70 123.25 3kxw s GLU 399 Ca 0.02 1.54 -0.28 0.00 0.36 0.00 0.00 54.97 56.61 3kxw s GLU 399 Cb -0.00 -3.06 0.02 0.00 0.26 0.00 0.00 34.13 31.35 3kxw s GLU 399 CO 0.02 0.31 1.06 0.42 -0.54 0.00 0.00 175.26 176.52 3kxw s ILE 400 N -1.33 4.45 -0.06 -3.70 1.01 0.09 -1.06 121.20 120.60 3kxw s ILE 400 Ca 0.46 1.49 -0.01 0.00 0.00 0.00 0.00 60.65 62.59 3kxw s ILE 400 Cb -0.26 -4.44 -0.03 0.00 0.01 0.00 0.00 42.46 37.74 3kxw s ILE 400 CO 0.32 -0.62 0.01 0.26 0.00 0.00 0.00 174.94 174.91 3kxw s TRP 401 N 3.80 3.16 0.02 3.97 0.52 0.53 -2.30 118.94 128.63 3kxw s TRP 401 Ca 0.44 0.17 0.06 0.00 0.02 0.00 0.00 56.10 56.79 3kxw s TRP 401 Cb -0.11 -1.76 -0.02 0.00 -1.15 0.00 0.00 33.47 30.43 3kxw s TRP 401 CO 0.20 0.48 -0.17 0.08 0.02 0.00 0.00 176.95 177.56 3kxw s VAL 402 N -0.95 1.33 -0.05 4.03 1.01 -0.32 -0.61 120.40 124.84 3kxw s VAL 402 Ca 0.15 -0.92 -0.02 0.00 0.00 0.00 0.00 61.98 61.19 3kxw s VAL 402 Cb -0.11 -1.15 0.03 0.00 0.00 0.00 0.00 36.38 35.14 3kxw s VAL 402 CO 0.05 0.21 0.10 -1.58 0.00 0.00 0.00 175.10 173.88 3kxw s GLN 403 N -0.83 0.06 0.00 2.72 0.74 -0.50 -0.43 119.66 121.42 3kxw s GLN 403 Ca 0.05 0.27 0.00 0.00 0.05 0.00 0.00 55.36 55.73 3kxw s GLN 403 Cb -0.07 -0.15 0.00 0.00 1.10 0.00 0.00 33.01 33.89 3kxw s GLN 403 CO 0.01 -0.13 0.00 -1.13 -0.55 0.00 0.00 175.29 173.48 3kxw n SER 404 N 3.95 0.00 0.00 6.67 3.41 -1.26 -2.07 113.62 124.32 3kxw n SER 404 Ca -0.24 0.00 0.05 0.00 -0.26 0.00 0.00 58.87 58.42 3kxw n SER 404 Cb 0.53 0.00 0.22 0.00 -0.26 0.00 0.00 64.21 64.70 3kxw n SER 404 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 3kxw n ASN 405 N 0.00 0.00 -0.01 4.04 5.03 -1.26 -1.54 115.26 121.52 3kxw n ASN 405 Ca 0.00 0.36 0.13 0.00 0.87 0.00 0.00 54.58 55.94 3kxw n ASN 405 Cb 0.00 -0.42 0.36 0.00 -1.02 0.00 0.00 39.78 38.70 3kxw n ASN 405 CO 0.00 0.00 0.00 -1.20 -1.83 0.00 0.00 177.26 174.23 3kxw n SER 406 N -1.42 0.39 -4.69 6.41 7.64 -1.26 -4.02 113.62 116.67 3kxw n SER 406 Ca 0.03 -0.10 -0.42 0.00 1.01 0.00 0.00 58.87 59.39 3kxw n SER 406 Cb 0.10 0.05 -0.03 0.00 -1.01 0.00 0.00 64.21 63.32 3kxw n SER 406 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 3kxw s VAL 407 N -2.97 3.78 1.06 0.44 1.01 -0.59 -2.95 120.40 120.18 3kxw s VAL 407 Ca 0.13 1.16 -0.14 0.00 0.00 0.00 0.00 61.98 63.13 3kxw s VAL 407 Cb 0.18 -3.75 0.22 0.00 0.00 0.00 0.00 36.38 33.03 3kxw s VAL 407 CO 0.64 0.00 1.09 0.00 0.00 0.00 0.00 175.10 176.84 3kxw s ALA 408 N 2.32 0.72 -0.60 5.51 0.00 -0.11 -4.97 121.76 124.63 3kxw s ALA 408 Ca 0.63 -0.48 0.24 0.00 0.00 0.00 0.00 51.96 52.35 3kxw s ALA 408 Cb -0.31 -3.08 0.46 0.00 0.00 0.00 0.00 23.12 20.20 3kxw s ALA 408 CO 0.26 -3.10 1.48 -0.22 0.00 0.00 0.00 175.76 174.18 3kxw h LYS 409 N -2.11 0.00 0.00 0.00 1.63 -1.93 -3.50 116.57 110.66 3kxw h LYS 409 Ca -0.54 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.26 3kxw h LYS 409 Cb 1.33 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.96 3kxw h LYS 409 CO 0.53 0.00 0.00 0.41 -3.45 0.00 0.00 179.45 176.94 3kxw n GLY 410 N 1.28 0.44 3.64 5.01 0.00 -1.26 -5.07 105.19 109.23 3kxw n GLY 410 Ca 0.04 -1.75 -0.35 0.00 0.00 0.00 0.00 46.02 43.97 3kxw n GLY 410 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3kxw s TYR 411 N -2.26 3.22 -0.14 1.61 2.02 -1.26 -4.41 117.35 116.13 3kxw s TYR 411 Ca 0.00 0.07 -0.35 0.00 -0.37 0.00 0.00 57.07 56.42 3kxw s TYR 411 Cb 0.00 -1.99 -0.12 0.00 -0.40 0.00 0.00 41.96 39.45 3kxw s TYR 411 CO 0.00 0.24 1.90 1.87 -1.57 0.00 0.00 175.55 177.99 3kxw n TRP 412 N 3.11 2.23 -2.69 2.71 -0.00 0.69 -2.28 117.44 121.20 3kxw n TRP 412 Ca -0.17 0.09 -0.21 0.00 -0.00 0.00 0.00 57.50 57.20 3kxw n TRP 412 Cb 0.53 -2.63 0.01 0.00 -0.00 0.00 0.00 31.31 29.22 3kxw n TRP 412 CO 0.00 0.00 0.00 -1.71 -0.00 0.00 0.00 177.69 175.98 3kxw n ASN 413 N 6.90 -5.77 -3.46 5.87 5.15 -1.26 -4.76 115.26 117.94 3kxw n ASN 413 Ca 0.25 -0.13 -0.27 0.00 -0.60 0.00 0.00 54.58 53.84 3kxw n ASN 413 Cb 0.27 -4.75 -0.10 0.00 -0.53 0.00 0.00 39.78 34.68 3kxw n ASN 413 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3kxw n GLN 414 N -3.44 0.74 -0.16 1.20 6.02 -0.97 -5.00 117.38 115.77 3kxw n GLN 414 Ca -0.18 -3.53 -0.11 0.00 -0.01 0.00 0.00 57.00 53.17 3kxw n GLN 414 Cb 0.65 -1.75 -0.00 0.00 1.02 0.00 0.00 30.24 30.16 3kxw n GLN 414 CO 0.00 0.00 0.00 -1.35 -1.01 0.00 0.00 177.06 174.70 3kxw h PRO 415 N 5.21 1.01 -0.20 -1.09 0.11 -1.91 -0.60 132.00 134.53 3kxw h PRO 415 Ca 0.21 -0.43 -0.08 0.00 0.11 0.00 0.00 66.00 65.81 3kxw h PRO 415 Cb 0.86 -0.04 -0.00 0.00 0.11 0.00 0.00 31.00 31.93 3kxw h PRO 415 CO 0.48 1.11 -0.19 0.93 -0.21 0.00 0.00 178.00 180.12 3kxw h GLU 416 N 0.87 0.49 -0.32 1.05 3.07 -1.97 -1.55 114.58 116.22 3kxw h GLU 416 Ca 0.11 -0.26 -0.03 0.00 -0.50 0.00 0.00 59.36 58.69 3kxw h GLU 416 Cb 0.79 0.01 -0.02 0.00 -0.84 0.00 0.00 28.75 28.69 3kxw h GLU 416 CO 0.07 0.83 0.06 0.93 -1.40 0.00 0.00 179.01 179.50 3kxw h GLU 417 N 0.16 0.46 -0.40 2.33 4.39 -1.96 -1.50 114.58 118.07 3kxw h GLU 417 Ca 0.03 -0.07 -0.06 0.00 0.34 0.00 0.00 59.36 59.60 3kxw h GLU 417 Cb 0.74 -0.08 -0.01 0.00 -0.10 0.00 0.00 28.75 29.29 3kxw h GLU 417 CO 0.05 0.44 0.02 1.15 -1.16 0.00 0.00 179.01 179.51 3kxw h THR 418 N 0.45 1.26 -0.54 1.13 2.02 -0.86 -2.36 112.91 114.01 3kxw h THR 418 Ca 0.11 -0.97 -0.06 0.00 0.77 0.00 0.00 66.41 66.25 3kxw h THR 418 Cb 0.21 1.11 -0.02 0.00 -1.74 0.00 0.00 68.15 67.70 3kxw h THR 418 CO -0.00 0.33 0.08 -0.09 0.37 0.00 0.00 175.52 176.20 3kxw h ARG 419 N 0.52 0.86 -0.28 6.66 2.43 -1.04 0.18 114.38 123.71 3kxw h ARG 419 Ca 0.11 -0.21 0.05 0.00 -0.81 0.00 0.00 59.98 59.13 3kxw h ARG 419 Cb 0.45 -0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 29.87 3kxw h ARG 419 CO 0.02 0.81 0.20 1.25 -1.51 0.00 0.00 179.97 180.74 3kxw h HIS 420 N 0.82 0.15 0.00 2.20 2.76 -0.96 -3.19 115.15 116.92 3kxw h HIS 420 Ca 0.17 0.00 -0.12 0.00 -2.20 0.00 0.00 60.37 58.22 3kxw h HIS 420 Cb 0.38 -0.05 -0.02 0.00 1.55 0.00 0.00 27.41 29.27 3kxw h HIS 420 CO 0.02 0.08 -1.46 0.00 -1.30 0.00 0.00 177.93 175.27 3kxw n ALA 421 N -2.55 1.83 -0.14 5.26 0.00 -0.92 -4.74 120.51 119.25 3kxw n ALA 421 Ca 0.03 -0.40 0.10 0.00 0.00 0.00 0.00 53.44 53.17 3kxw n ALA 421 Cb 0.25 0.20 0.24 0.00 0.00 0.00 0.00 19.45 20.14 3kxw n ALA 421 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 3kxw n PHE 422 N -2.46 0.69 -2.05 0.00 3.72 0.03 0.30 117.46 117.69 3kxw n PHE 422 Ca -0.13 -0.42 -0.12 0.00 -0.05 0.00 0.00 57.45 56.73 3kxw n PHE 422 Cb 0.69 -0.01 0.07 0.00 -0.94 0.00 0.00 39.48 39.29 3kxw n PHE 422 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3kxw n ALA 423 N 1.27 4.24 -2.01 4.37 0.00 -1.20 -4.47 120.51 122.69 3kxw n ALA 423 Ca 0.19 -3.46 -0.42 0.00 0.00 0.00 0.00 53.44 49.75 3kxw n ALA 423 Cb 0.55 -0.42 -0.03 0.00 0.00 0.00 0.00 19.45 19.55 3kxw n ALA 423 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 3kxw s GLY 424 N -3.45 1.70 -0.04 0.00 0.00 -0.25 -4.79 107.32 100.50 3kxw s GLY 424 Ca 0.44 1.27 0.03 0.00 0.00 0.00 0.00 44.72 46.46 3kxw s GLY 424 CO -0.01 2.56 -0.14 0.54 0.00 0.00 0.00 173.10 176.05 3kxw s LYS 425 N 1.26 1.45 -0.07 2.90 -0.14 -1.26 -1.36 119.74 122.52 3kxw s LYS 425 Ca 0.68 -0.47 -0.25 0.00 -1.36 0.00 0.00 55.97 54.57 3kxw s LYS 425 Cb -0.41 -1.28 -0.03 0.00 -1.68 0.00 0.00 37.83 34.43 3kxw s LYS 425 CO 0.31 0.18 0.77 0.42 -0.76 0.00 0.00 175.35 176.27 3kxw s ILE 426 N 0.14 4.99 -0.13 2.17 1.01 -1.26 -4.96 121.20 123.17 3kxw s ILE 426 Ca -0.04 1.59 -0.38 0.00 0.00 0.00 0.00 60.65 61.81 3kxw s ILE 426 Cb -0.11 -4.11 -0.16 0.00 0.01 0.00 0.00 42.46 38.10 3kxw s ILE 426 CO 0.02 0.20 1.60 1.17 0.00 0.00 0.00 174.94 177.93 3kxw n LYS 427 N 4.00 1.23 -1.55 2.79 4.81 -0.88 -1.09 118.16 127.47 3kxw n LYS 427 Ca 0.01 0.45 -0.15 0.00 -0.87 0.00 0.00 58.31 57.75 3kxw n LYS 427 Cb 0.51 -2.13 -0.06 0.00 0.02 0.00 0.00 35.03 33.38 3kxw n LYS 427 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 3kxw n ASP 428 N 4.37 -4.75 0.00 3.14 8.00 -1.26 -4.92 116.55 121.13 3kxw n ASP 428 Ca 0.23 0.31 0.00 0.00 0.71 0.00 0.00 54.79 56.04 3kxw n ASP 428 Cb 0.16 -3.60 0.00 0.00 -0.02 0.00 0.00 41.12 37.66 3kxw n ASP 428 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 3kxw n ASP 429 N -0.46 0.00 -1.36 -2.24 4.64 -0.25 -5.25 116.55 111.64 3kxw n ASP 429 Ca -0.15 0.00 0.16 0.00 -1.38 0.00 0.00 54.79 53.42 3kxw n ASP 429 Cb 0.51 0.00 -0.09 0.00 -1.04 0.00 0.00 41.12 40.50 3kxw n ASP 429 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 3kxw n ALA 433 N -3.00 -3.57 -2.34 -1.67 0.00 -1.26 -4.96 120.51 103.71 3kxw n ALA 433 Ca 0.00 0.87 -0.30 0.00 0.00 0.00 0.00 53.44 54.01 3kxw n ALA 433 Cb 0.00 -1.48 -0.15 0.00 0.00 0.00 0.00 19.45 17.81 3kxw n ALA 433 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.50 178.46 3kxw s ILE 434 N -4.17 2.05 0.09 0.00 -0.00 -1.26 -4.66 121.20 113.25 3kxw s ILE 434 Ca 0.00 -1.22 0.07 0.00 -0.00 0.00 0.00 60.65 59.50 3kxw s ILE 434 Cb 0.00 -1.72 -0.03 0.00 -0.00 0.00 0.00 42.46 40.70 3kxw s ILE 434 CO 0.00 0.47 -0.18 -0.31 -0.00 0.00 0.00 174.94 174.92 3kxw s TYR 435 N -0.69 1.58 -0.12 1.37 1.51 -0.46 -4.81 117.35 115.72 3kxw s TYR 435 Ca 0.10 -0.44 -0.30 0.00 -1.01 0.00 0.00 57.07 55.43 3kxw s TYR 435 Cb -0.10 -0.86 -0.02 0.00 -0.11 0.00 0.00 41.96 40.87 3kxw s TYR 435 CO 0.00 0.16 1.13 -1.17 -1.11 0.00 0.00 175.55 174.56 3kxw s LEU 436 N -1.91 4.22 -0.40 -1.29 2.96 0.42 -1.08 118.68 121.60 3kxw s LEU 436 Ca 0.04 1.64 -0.21 0.00 -0.22 0.00 0.00 54.13 55.38 3kxw s LEU 436 Cb -0.10 -3.55 0.01 0.00 0.50 0.00 0.00 46.19 43.06 3kxw s LEU 436 CO 0.04 -0.59 0.68 -0.13 -1.32 0.00 0.00 176.35 175.02 3kxw s ARG 437 N 2.56 3.51 0.40 1.98 0.52 0.15 -1.18 118.95 126.90 3kxw s ARG 437 Ca 0.52 -0.08 0.21 0.00 -0.52 0.00 0.00 55.73 55.86 3kxw s ARG 437 Cb -0.21 -3.88 0.27 0.00 0.52 0.00 0.00 34.95 31.66 3kxw s ARG 437 CO 0.17 -0.90 1.56 1.79 0.02 0.00 0.00 175.30 177.94 3kxw h THR 438 N 5.80 0.19 0.00 0.02 1.35 -1.76 -3.46 112.91 115.06 3kxw h THR 438 Ca -0.26 -1.28 0.00 0.00 -0.55 0.00 0.00 66.41 64.33 3kxw h THR 438 Cb 1.10 2.09 0.00 0.00 -1.73 0.00 0.00 68.15 69.61 3kxw h THR 438 CO 0.88 0.11 0.00 0.61 -0.25 0.00 0.00 175.52 176.88 3kxw n GLY 439 N 1.13 1.54 3.86 5.82 0.00 -1.26 -5.03 105.19 111.25 3kxw n GLY 439 Ca 0.03 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.70 3kxw n GLY 439 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3kxw s ASP 440 N -3.27 6.68 -0.02 1.61 1.01 -1.26 -1.26 116.67 120.15 3kxw s ASP 440 Ca 0.00 0.83 -0.00 0.00 0.71 0.00 0.00 52.55 54.09 3kxw s ASP 440 Cb 0.00 -2.20 -0.04 0.00 1.01 0.00 0.00 42.92 41.70 3kxw s ASP 440 CO 0.00 0.24 0.04 -0.76 0.21 0.00 0.00 175.17 174.90 3kxw s LEU 441 N -1.59 3.74 0.00 1.23 1.43 0.75 -0.73 118.68 123.51 3kxw s LEU 441 Ca 0.29 0.11 0.00 0.00 -1.03 0.00 0.00 54.13 53.50 3kxw s LEU 441 Cb -0.15 -2.10 0.00 0.00 0.03 0.00 0.00 46.19 43.98 3kxw s LEU 441 CO 0.16 0.30 0.00 0.61 0.23 0.00 0.00 176.35 177.65 3kxw n GLY 442 N 1.46 0.88 3.22 -3.19 0.00 -0.59 -0.32 105.19 106.65 3kxw n GLY 442 Ca -0.15 -0.86 -0.10 0.00 0.00 0.00 0.00 46.02 44.91 3kxw n GLY 442 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3kxw s PHE 443 N -4.04 0.01 -0.16 1.61 -0.12 -0.36 -1.78 117.98 113.13 3kxw s PHE 443 Ca 0.00 -0.25 -0.09 0.00 -0.05 0.00 0.00 56.93 56.55 3kxw s PHE 443 Cb 0.00 0.02 -0.05 0.00 -0.63 0.00 0.00 43.02 42.37 3kxw s PHE 443 CO 0.00 -0.49 0.14 -0.51 -0.05 0.00 0.00 175.22 174.30 3kxw s LEU 444 N -2.28 4.30 -0.10 -1.99 1.43 -1.26 -0.86 118.68 117.92 3kxw s LEU 444 Ca -0.02 0.35 -0.03 0.00 -1.03 0.00 0.00 54.13 53.41 3kxw s LEU 444 Cb 0.00 -2.09 0.04 0.00 0.03 0.00 0.00 46.19 44.18 3kxw s LEU 444 CO -0.06 0.29 0.04 -2.28 0.23 0.00 0.00 176.35 174.58 3kxw s HIS 445 N -0.33 0.41 -1.44 0.29 2.46 -0.11 -1.50 115.29 115.08 3kxw s HIS 445 Ca 0.12 -0.15 -0.04 0.00 0.47 0.00 0.00 55.06 55.46 3kxw s HIS 445 Cb -0.12 -0.70 0.03 0.00 -0.13 0.00 0.00 32.58 31.66 3kxw s HIS 445 CO 0.01 -0.36 0.59 0.39 -2.47 0.00 0.00 174.74 172.90 3kxw n GLU 446 N 5.21 -3.87 -2.30 2.88 1.02 -1.26 -1.42 120.64 120.90 3kxw n GLU 446 Ca -0.06 0.47 -0.20 0.00 -0.02 0.00 0.00 57.16 57.35 3kxw n GLU 446 Cb 0.49 -4.85 -0.02 0.00 -0.02 0.00 0.00 31.44 27.05 3kxw n GLU 446 CO 0.00 0.00 0.00 -1.71 1.18 0.00 0.00 177.13 176.60 3kxw n ASN 447 N -2.94 -5.62 -4.27 1.62 5.15 -1.26 -5.00 115.26 102.94 3kxw n ASN 447 Ca -0.22 0.07 -0.26 0.00 -0.60 0.00 0.00 54.58 53.57 3kxw n ASN 447 Cb 0.64 -4.72 -0.14 0.00 -0.53 0.00 0.00 39.78 35.03 3kxw n ASN 447 CO 0.00 0.00 0.00 -1.61 1.40 0.00 0.00 177.26 177.05 3kxw s GLU 448 N -4.87 1.42 -0.20 1.20 2.02 -0.51 -4.22 118.70 113.55 3kxw s GLU 448 Ca 0.00 -0.99 -0.15 0.00 0.02 0.00 0.00 54.97 53.86 3kxw s GLU 448 Cb 0.00 -1.56 -0.04 0.00 0.10 0.00 0.00 34.13 32.63 3kxw s GLU 448 CO 0.00 0.39 0.34 -1.17 0.02 0.00 0.00 175.26 174.84 3kxw s LEU 449 N -1.26 4.17 -0.35 1.80 2.96 -0.39 -0.94 118.68 124.67 3kxw s LEU 449 Ca 0.08 0.46 -0.05 0.00 -0.22 0.00 0.00 54.13 54.40 3kxw s LEU 449 Cb -0.09 -2.42 0.06 0.00 0.50 0.00 0.00 46.19 44.23 3kxw s LEU 449 CO 0.02 -0.01 0.12 -0.31 -1.32 0.00 0.00 176.35 174.85 3kxw s TYR 450 N 1.05 3.32 -0.03 5.38 2.02 -0.04 -0.29 117.35 128.76 3kxw s TYR 450 Ca 0.17 -1.68 -0.30 0.00 -0.37 0.00 0.00 57.07 54.89 3kxw s TYR 450 Cb -0.14 -2.48 -0.03 0.00 -0.40 0.00 0.00 41.96 38.91 3kxw s TYR 450 CO 0.06 -0.80 1.03 0.08 -1.57 0.00 0.00 175.55 174.35 3kxw s VAL 451 N 1.34 4.71 -0.03 0.71 1.01 -1.26 -1.23 120.40 125.65 3kxw s VAL 451 Ca -0.00 1.96 0.13 0.00 0.00 0.00 0.00 61.98 64.07 3kxw s VAL 451 Cb -0.21 -4.26 -0.20 0.00 0.00 0.00 0.00 36.38 31.72 3kxw s VAL 451 CO 0.01 0.10 0.27 0.35 0.00 0.00 0.00 175.10 175.82 3kxw n THR 452 N 4.16 0.08 -3.87 3.92 -2.24 0.56 -4.94 114.28 111.94 3kxw n THR 452 Ca 0.08 -0.32 0.00 0.00 -2.27 0.00 0.00 64.05 61.54 3kxw n THR 452 Cb 0.49 0.12 0.00 0.00 -2.10 0.00 0.00 70.33 68.85 3kxw n THR 452 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3kxw n GLY 453 N 1.80 -0.78 3.57 3.38 0.00 -1.11 -4.99 105.19 107.06 3kxw n GLY 453 Ca -0.04 -1.09 -0.30 0.00 0.00 0.00 0.00 46.02 44.59 3kxw n GLY 453 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3kxw s ARG 454 N -1.74 2.15 0.17 1.61 1.81 -1.26 -0.18 118.95 121.51 3kxw s ARG 454 Ca 0.00 -1.00 -0.15 0.00 -1.72 0.00 0.00 55.73 52.86 3kxw s ARG 454 Cb 0.00 -2.31 0.11 0.00 -0.45 0.00 0.00 34.95 32.29 3kxw s ARG 454 CO 0.00 0.51 1.74 0.82 -0.68 0.00 0.00 175.30 177.70 3kxw h ILE 455 N 3.30 0.84 -3.32 1.52 2.04 -1.49 -3.42 117.51 116.97 3kxw h ILE 455 Ca -0.49 -0.10 -0.57 0.00 1.00 0.00 0.00 64.86 64.71 3kxw h ILE 455 Cb 1.17 0.54 -0.05 0.00 -0.74 0.00 0.00 36.82 37.73 3kxw h ILE 455 CO 0.52 0.05 0.01 -0.54 0.00 0.00 0.00 178.15 178.19 3kxw s LYS 456 N -6.15 4.35 -0.01 2.37 1.02 -1.26 -5.01 119.74 115.05 3kxw s LYS 456 Ca -0.13 0.77 -0.36 0.00 0.02 0.00 0.00 55.97 56.27 3kxw s LYS 456 Cb 0.13 -3.36 -0.14 0.00 -0.52 0.00 0.00 37.83 33.94 3kxw s LYS 456 CO 0.72 0.32 1.64 -3.47 -0.92 0.00 0.00 175.35 173.64 3kxw n ASP 457 N 2.90 2.74 0.14 2.83 2.03 -1.26 -4.87 116.55 121.05 3kxw n ASP 457 Ca -0.06 1.06 0.02 0.00 0.52 0.00 0.00 54.79 56.33 3kxw n ASP 457 Cb 0.51 -1.30 0.38 0.00 -0.72 0.00 0.00 41.12 39.99 3kxw n ASP 457 CO 0.00 0.00 0.00 0.25 -1.92 0.00 0.00 177.20 175.53 3kxw h LEU 458 N 6.80 0.17 -0.89 -2.67 5.85 -1.95 -1.03 115.31 121.59 3kxw h LEU 458 Ca -0.47 -0.04 -0.03 0.00 0.84 0.00 0.00 57.88 58.18 3kxw h LEU 458 Cb 1.29 -0.04 -0.04 0.00 0.37 0.00 0.00 40.66 42.24 3kxw h LEU 458 CO 0.89 0.38 0.42 0.40 -0.34 0.00 0.00 178.44 180.19 3kxw h ILE 459 N 0.16 1.26 -0.50 4.05 2.04 -1.93 -0.37 117.51 122.23 3kxw h ILE 459 Ca 0.03 -0.71 -0.06 0.00 1.00 0.00 0.00 64.86 65.12 3kxw h ILE 459 Cb 0.45 0.16 -0.02 0.00 -0.74 0.00 0.00 36.82 36.67 3kxw h ILE 459 CO 0.03 0.31 0.06 0.40 0.00 0.00 0.00 178.15 178.95 3kxw h ILE 460 N 1.21 1.25 -0.24 -0.67 1.08 -1.60 -1.86 117.51 116.69 3kxw h ILE 460 Ca 0.29 -0.96 -0.01 0.00 -0.39 0.00 0.00 64.86 63.80 3kxw h ILE 460 Cb 0.10 0.91 -0.01 0.00 -3.07 0.00 0.00 36.82 34.74 3kxw h ILE 460 CO -0.04 0.34 0.13 0.40 -0.69 0.00 0.00 178.15 178.29 3kxw h ILE 461 N 0.71 1.12 -0.91 -0.67 1.08 -0.97 -1.00 117.51 116.88 3kxw h ILE 461 Ca 0.15 -0.34 0.08 0.00 -0.39 0.00 0.00 64.86 64.36 3kxw h ILE 461 Cb 0.42 0.91 -0.06 0.00 -3.07 0.00 0.00 36.82 35.02 3kxw h ILE 461 CO 0.01 0.12 0.59 1.88 -0.69 0.00 0.00 178.15 180.06 3kxw h TYR 462 N 0.27 1.02 -0.08 1.37 -1.99 -1.00 -1.86 116.97 114.69 3kxw h TYR 462 Ca 0.08 0.03 -0.02 0.00 2.00 0.00 0.00 58.73 60.82 3kxw h TYR 462 Cb 0.08 -0.33 -0.00 0.00 2.00 0.00 0.00 36.73 38.48 3kxw h TYR 462 CO -0.03 0.50 -0.02 0.78 -0.00 0.00 0.00 178.16 179.38 3kxw h GLY 463 N 0.97 0.17 2.00 3.88 0.00 -0.83 -2.04 103.07 107.22 3kxw h GLY 463 Ca 0.41 -0.14 -0.06 0.00 0.00 0.00 0.00 47.33 47.54 3kxw h GLY 463 CO -0.17 0.13 -0.27 0.07 0.00 0.00 0.00 176.54 176.31 3kxw h LYS 464 N -0.19 0.00 -0.01 4.80 2.10 -1.03 -1.55 116.57 120.69 3kxw h LYS 464 Ca 0.02 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.67 3kxw h LYS 464 Cb 0.44 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.77 3kxw h LYS 464 CO 0.01 0.27 -0.01 0.09 -2.00 0.00 0.00 179.45 177.81 3kxw n ASN 465 N -3.53 0.54 -1.93 7.07 5.03 -0.72 -4.94 115.26 116.78 3kxw n ASN 465 Ca -0.00 -1.13 -0.19 0.00 0.87 0.00 0.00 54.58 54.13 3kxw n ASN 465 Cb 0.42 -0.01 -0.04 0.00 -1.02 0.00 0.00 39.78 39.14 3kxw n ASN 465 CO 0.00 0.00 0.00 1.41 -1.83 0.00 0.00 177.26 176.84 3kxw n HIS 466 N -0.61 -0.58 -0.19 3.10 8.25 -0.59 -4.82 115.22 119.78 3kxw n HIS 466 Ca 0.22 0.00 -0.07 0.00 -0.26 0.00 0.00 57.72 57.61 3kxw n HIS 466 Cb 0.21 -3.56 0.03 0.00 1.12 0.00 0.00 29.99 27.78 3kxw n HIS 466 CO 0.00 0.00 0.00 1.88 0.64 0.00 0.00 176.34 178.86 3kxw h TYR 467 N 0.00 0.72 0.13 4.41 0.05 -1.62 -1.43 116.97 119.23 3kxw h TYR 467 Ca -0.43 -0.00 -0.01 0.00 0.05 0.00 0.00 58.73 58.34 3kxw h TYR 467 Cb 1.31 -0.24 0.00 0.00 1.01 0.00 0.00 36.73 38.81 3kxw h TYR 467 CO 0.52 0.49 -0.06 -1.35 -1.05 0.00 0.00 178.16 176.71 3kxw h PRO 468 N 0.74 -0.16 -0.82 4.88 0.11 -1.83 -0.82 132.00 134.10 3kxw h PRO 468 Ca 0.20 0.01 -0.01 0.00 0.11 0.00 0.00 66.00 66.31 3kxw h PRO 468 Cb -0.02 0.04 -0.04 0.00 0.11 0.00 0.00 31.00 31.09 3kxw h PRO 468 CO -0.04 -0.09 0.47 1.96 -0.21 0.00 0.00 178.00 180.09 3kxw h GLN 469 N -0.19 1.12 -0.02 1.05 7.50 -1.86 -1.61 115.11 121.10 3kxw h GLN 469 Ca -0.02 -0.11 -0.18 0.00 0.50 0.00 0.00 58.65 58.84 3kxw h GLN 469 Cb 0.15 -0.23 -0.01 0.00 0.05 0.00 0.00 27.48 27.44 3kxw h GLN 469 CO 0.03 0.80 -0.79 -0.44 -1.50 0.00 0.00 178.83 176.93 3kxw h ASP 470 N 1.13 0.26 -0.44 1.46 3.32 -1.08 -1.71 116.42 119.36 3kxw h ASP 470 Ca 0.29 -0.19 -0.10 0.00 0.02 0.00 0.00 57.03 57.05 3kxw h ASP 470 Cb -0.01 -0.08 -0.01 0.00 0.22 0.00 0.00 39.33 39.45 3kxw h ASP 470 CO -0.05 0.95 -0.09 0.40 -1.72 0.00 0.00 179.24 178.72 3kxw h ILE 471 N 0.13 1.27 -0.81 0.35 2.04 -0.93 -1.86 117.51 117.70 3kxw h ILE 471 Ca -0.03 -1.20 -0.01 0.00 1.00 0.00 0.00 64.86 64.62 3kxw h ILE 471 Cb 1.38 1.14 -0.04 0.00 -0.74 0.00 0.00 36.82 38.56 3kxw h ILE 471 CO 0.12 0.41 0.48 -0.33 0.00 0.00 0.00 178.15 178.83 3kxw h GLU 472 N 0.68 1.11 -0.31 2.37 5.08 -1.15 -1.94 114.58 120.42 3kxw h GLU 472 Ca 0.11 -0.11 0.02 0.00 -1.00 0.00 0.00 59.36 58.39 3kxw h GLU 472 Cb 0.63 -0.23 -0.03 0.00 0.50 0.00 0.00 28.75 29.63 3kxw h GLU 472 CO 0.04 0.80 0.15 0.35 -1.00 0.00 0.00 179.01 179.34 3kxw h PHE 473 N 1.12 0.27 -0.34 4.33 3.57 -1.13 -2.83 116.94 121.93 3kxw h PHE 473 Ca 0.29 0.01 0.06 0.00 3.53 0.00 0.00 57.97 61.86 3kxw h PHE 473 Cb -0.02 -0.08 -0.05 0.00 2.79 0.00 0.00 35.95 38.59 3kxw h PHE 473 CO -0.00 0.15 0.04 0.77 -2.23 0.00 0.00 178.31 177.03 3kxw h SER 474 N 0.31 -0.06 0.00 0.41 0.02 -0.93 0.09 113.55 113.40 3kxw h SER 474 Ca 0.13 0.07 0.00 0.00 -0.84 0.00 0.00 61.79 61.15 3kxw h SER 474 Cb 0.05 0.11 0.00 0.00 0.14 0.00 0.00 62.40 62.69 3kxw h SER 474 CO -0.09 0.01 0.00 0.18 -1.14 0.00 0.00 176.83 175.78 3kxw n LEU 475 N -5.13 0.06 0.00 5.07 4.77 -0.77 -1.38 117.00 119.61 3kxw n LEU 475 Ca 0.01 -0.03 0.00 0.00 -0.03 0.00 0.00 56.01 55.96 3kxw n LEU 475 Cb 0.17 -0.02 0.00 0.00 -2.33 0.00 0.00 43.42 41.24 3kxw n LEU 475 CO 0.23 0.01 0.00 1.41 -1.33 0.00 0.00 177.39 177.71 3kxw n HIS 477 N 0.66 0.00 -3.27 -1.77 8.25 0.02 -3.67 115.22 115.43 3kxw n HIS 477 Ca 0.00 0.00 -0.20 0.00 -0.26 0.00 0.00 57.72 57.26 3kxw n HIS 477 Cb 0.01 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.12 3kxw n HIS 477 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 3kxw s SER 478 N 0.00 5.87 0.51 0.41 1.04 -0.48 -4.98 113.70 116.08 3kxw s SER 478 Ca 0.00 -0.09 0.35 0.00 0.48 0.00 0.00 55.95 56.68 3kxw s SER 478 Cb 0.00 -1.23 1.76 0.00 0.10 0.00 0.00 66.02 66.65 3kxw s SER 478 CO 0.00 -0.56 2.05 -0.65 0.98 0.00 0.00 173.24 175.06 3kxw h PRO 479 N 0.71 0.00 -0.05 4.02 0.11 -1.90 -2.10 132.00 132.79 3kxw h PRO 479 Ca -0.45 0.00 0.02 0.00 0.11 0.00 0.00 66.00 65.67 3kxw h PRO 479 Cb 1.26 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.37 3kxw h PRO 479 CO 0.53 0.00 0.04 -0.07 -0.21 0.00 0.00 178.00 178.29 3kxw h LEU 480 N 0.00 0.00 -2.86 2.35 4.07 -1.94 -2.45 115.31 114.48 3kxw h LEU 480 Ca 0.00 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.96 3kxw h LEU 480 Cb 0.13 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 41.87 3kxw h LEU 480 CO 0.00 0.00 0.01 1.12 -1.08 0.00 0.00 178.44 178.49 3kxw h HIS 481 N 0.00 0.00 0.00 1.13 2.07 -1.45 -2.14 115.15 114.76 3kxw h HIS 481 Ca 0.03 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.55 3kxw h HIS 481 Cb 0.11 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.09 3kxw h HIS 481 CO 0.00 0.00 0.00 0.45 -3.07 0.00 0.00 177.93 175.31 3kxw h HIS 482 N 0.00 0.00 -0.15 6.12 3.86 -1.68 -1.98 115.15 121.33 3kxw h HIS 482 Ca 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 3kxw h HIS 482 Cb 0.02 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.49 3kxw h HIS 482 CO 0.00 0.00 0.00 1.33 0.86 0.00 0.00 177.93 180.12 3kxw n VAL 483 N -2.58 0.50 -4.47 2.45 0.24 -0.80 -4.98 118.33 108.69 3kxw n VAL 483 Ca -0.01 -0.75 -0.26 0.00 -2.04 0.00 0.00 64.34 61.28 3kxw n VAL 483 Cb 0.11 0.84 -0.10 0.00 -1.47 0.00 0.00 33.84 33.23 3kxw n VAL 483 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 3kxw s LEU 484 N -0.87 2.89 0.00 1.34 1.43 -0.75 -1.61 118.68 121.11 3kxw s LEU 484 Ca 0.15 -1.19 0.00 0.00 -1.03 0.00 0.00 54.13 52.06 3kxw s LEU 484 Cb 0.09 -1.11 0.00 0.00 0.03 0.00 0.00 46.19 45.20 3kxw s LEU 484 CO 0.12 -0.33 0.00 0.61 0.23 0.00 0.00 176.35 176.98 3kxw n GLY 485 N -0.94 0.62 3.89 -3.19 0.00 -0.11 -4.60 105.19 100.85 3kxw n GLY 485 Ca -0.04 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.68 3kxw n GLY 485 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kxw s LYS 486 N 3.38 3.15 0.14 1.61 -0.14 -1.26 -4.78 119.74 121.85 3kxw s LYS 486 Ca 0.00 0.42 -0.05 0.00 -1.36 0.00 0.00 55.97 54.99 3kxw s LYS 486 Cb 0.00 -2.13 -0.03 0.00 -1.68 0.00 0.00 37.83 34.00 3kxw s LYS 486 CO 0.00 -0.75 0.15 0.00 -0.76 0.00 0.00 175.35 173.99 3kxw s ALA 488 N -4.01 -1.04 0.01 0.00 0.00 -1.26 -4.92 121.76 110.55 3kxw s ALA 488 Ca 0.20 0.91 0.05 0.00 0.00 0.00 0.00 51.96 53.12 3kxw s ALA 488 Cb 0.06 -0.36 -0.01 0.00 0.00 0.00 0.00 23.12 22.80 3kxw s ALA 488 CO 0.00 -0.24 -0.14 0.00 0.00 0.00 0.00 175.76 175.38 3kxw s ALA 489 N -0.46 1.18 0.08 0.00 0.00 -1.26 -4.41 121.76 116.88 3kxw s ALA 489 Ca -0.06 -0.69 -0.27 0.00 0.00 0.00 0.00 51.96 50.94 3kxw s ALA 489 Cb -0.03 -0.26 0.08 0.00 0.00 0.00 0.00 23.12 22.91 3kxw s ALA 489 CO 0.03 0.27 0.90 -0.59 0.00 0.00 0.00 175.76 176.36 3kxw s PHE 490 N -0.52 -0.26 -0.13 0.00 -0.12 -0.41 -4.67 117.98 111.88 3kxw s PHE 490 Ca 0.04 0.05 -0.03 0.00 -0.05 0.00 0.00 56.93 56.94 3kxw s PHE 490 Cb -0.06 0.59 -0.03 0.00 -0.63 0.00 0.00 43.02 42.88 3kxw s PHE 490 CO 0.00 -0.69 -0.03 0.08 -0.05 0.00 0.00 175.22 174.53 3kxw s VAL 491 N -3.24 4.00 -0.11 -2.49 1.01 -1.26 0.20 120.40 118.51 3kxw s VAL 491 Ca 0.08 -0.34 -0.01 0.00 0.00 0.00 0.00 61.98 61.71 3kxw s VAL 491 Cb -0.01 -2.72 -0.03 0.00 0.00 0.00 0.00 36.38 33.62 3kxw s VAL 491 CO -0.04 0.53 -0.05 -0.63 0.00 0.00 0.00 175.10 174.91 3kxw s ILE 492 N -0.11 3.81 -0.21 2.22 -1.09 -0.58 -4.93 121.20 120.31 3kxw s ILE 492 Ca 0.03 -0.41 -0.14 0.00 -2.23 0.00 0.00 60.65 57.90 3kxw s ILE 492 Cb -0.13 -2.61 -0.04 0.00 -1.58 0.00 0.00 42.46 38.10 3kxw s ILE 492 CO 0.02 0.55 0.30 -1.58 -1.23 0.00 0.00 174.94 173.00 3kxw s GLN 493 N -0.25 4.15 -0.25 2.79 0.74 -1.26 -0.66 119.66 124.92 3kxw s GLN 493 Ca 0.04 0.02 -0.03 0.00 0.05 0.00 0.00 55.36 55.44 3kxw s GLN 493 Cb -0.13 -3.52 0.10 0.00 1.10 0.00 0.00 33.01 30.57 3kxw s GLN 493 CO 0.02 0.05 0.19 -2.00 -0.55 0.00 0.00 175.29 173.00 3kxw s GLU 494 N 1.07 0.21 0.00 1.67 2.12 0.62 -4.96 118.70 119.44 3kxw s GLU 494 Ca 0.15 -0.21 0.00 0.00 0.36 0.00 0.00 54.97 55.27 3kxw s GLU 494 Cb -0.14 -1.13 0.00 0.00 0.26 0.00 0.00 34.13 33.12 3kxw s GLU 494 CO 0.06 -0.90 0.00 -0.85 -0.54 0.00 0.00 175.26 173.03 3kxw n GLU 495 N 5.28 -0.16 -0.80 4.30 0.28 -1.26 -2.81 120.64 125.48 3kxw n GLU 495 Ca -0.05 0.33 0.00 0.00 -0.16 0.00 0.00 57.16 57.28 3kxw n GLU 495 Cb 0.46 -0.37 0.00 0.00 1.43 0.00 0.00 31.44 32.95 3kxw n GLU 495 CO 0.00 0.00 0.00 0.72 -0.16 0.00 0.00 177.13 177.69 3kxw n HIS 496 N 0.92 0.00 -4.14 -1.84 8.25 -1.26 -4.95 115.22 112.21 3kxw n HIS 496 Ca 0.00 0.00 -0.12 0.00 -0.26 0.00 0.00 57.72 57.34 3kxw n HIS 496 Cb 0.17 -0.74 -0.11 0.00 1.12 0.00 0.00 29.99 30.44 3kxw n HIS 496 CO 0.00 0.00 0.00 -1.21 0.64 0.00 0.00 176.34 175.77 3kxw s GLU 497 N -0.53 0.74 -0.07 -0.41 2.02 -1.12 -5.11 118.70 114.21 3kxw s GLU 497 Ca 0.00 -1.10 -0.01 0.00 0.02 0.00 0.00 54.97 53.88 3kxw s GLU 497 Cb 0.00 -0.31 -0.03 0.00 0.10 0.00 0.00 34.13 33.89 3kxw s GLU 497 CO 0.00 0.03 -0.02 0.71 0.02 0.00 0.00 175.26 175.99 3kxw s TYR 498 N -2.61 3.07 -0.14 1.61 2.02 -1.26 -0.27 117.35 119.77 3kxw s TYR 498 Ca 0.03 0.12 -0.01 0.00 -0.37 0.00 0.00 57.07 56.84 3kxw s TYR 498 Cb -0.02 -1.75 0.04 0.00 -0.40 0.00 0.00 41.96 39.84 3kxw s TYR 498 CO -0.02 0.42 -0.02 0.15 -1.57 0.00 0.00 175.55 174.51 3kxw s LYS 499 N -0.92 1.08 0.08 -0.62 1.02 0.17 -4.97 119.74 115.57 3kxw s LYS 499 Ca 0.14 -0.32 -0.31 0.00 0.02 0.00 0.00 55.97 55.49 3kxw s LYS 499 Cb -0.11 -1.74 -0.08 0.00 -0.52 0.00 0.00 37.83 35.38 3kxw s LYS 499 CO 0.03 -0.43 1.50 -1.17 -0.92 0.00 0.00 175.35 174.36 3kxw s LEU 500 N 1.77 4.35 -0.06 3.17 2.96 -1.26 -1.53 118.68 128.08 3kxw s LEU 500 Ca 0.02 2.36 0.04 0.00 -0.22 0.00 0.00 54.13 56.32 3kxw s LEU 500 Cb -0.15 -3.57 0.00 0.00 0.50 0.00 0.00 46.19 42.97 3kxw s LEU 500 CO -0.07 -0.77 -0.17 -0.89 -1.32 0.00 0.00 176.35 173.13 3kxw s THR 501 N 1.96 1.47 0.28 3.68 2.01 0.13 -0.90 115.64 124.27 3kxw s THR 501 Ca 0.68 -0.71 0.00 0.00 0.31 0.00 0.00 61.69 61.98 3kxw s THR 501 Cb -0.37 -1.29 -0.00 0.00 0.01 0.00 0.00 72.50 70.85 3kxw s THR 501 CO 0.30 0.43 0.00 0.52 -0.69 0.00 0.00 174.62 175.18 3kxw n VAL 502 N 3.44 0.00 0.00 3.82 0.31 -0.10 -1.28 118.33 124.52 3kxw n VAL 502 Ca -0.20 -1.33 0.00 0.00 -0.01 0.00 0.00 64.34 62.80 3kxw n VAL 502 Cb 0.52 0.27 0.00 0.00 -0.91 0.00 0.00 33.84 33.73 3kxw n VAL 502 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3kxw s GLU 505 N -0.47 4.27 -0.06 0.00 2.02 0.12 -1.43 118.70 123.14 3kxw s GLU 505 Ca 0.00 1.81 0.04 0.00 0.02 0.00 0.00 54.97 56.84 3kxw s GLU 505 Cb 0.00 -2.84 -0.02 0.00 0.10 0.00 0.00 34.13 31.37 3kxw s GLU 505 CO 0.00 -0.12 -0.16 0.14 0.02 0.00 0.00 175.26 175.13 3kxw s VAL 506 N -1.35 2.85 0.19 2.63 -7.23 0.23 -0.94 120.40 116.78 3kxw s VAL 506 Ca 0.53 -0.79 -0.12 0.00 -1.81 0.00 0.00 61.98 59.79 3kxw s VAL 506 Cb -0.30 -2.11 0.09 0.00 0.56 0.00 0.00 36.38 34.61 3kxw s VAL 506 CO 0.39 0.58 1.80 0.11 -0.31 0.00 0.00 175.10 177.66 3kxw h LYS 507 N 5.68 0.56 -4.33 4.82 1.57 -1.55 -2.93 116.57 120.39 3kxw h LYS 507 Ca -0.41 -0.03 -0.72 0.00 -1.87 0.00 0.00 60.65 57.61 3kxw h LYS 507 Cb 1.16 -0.13 -0.29 0.00 0.08 0.00 0.00 32.23 33.06 3kxw h LYS 507 CO 0.51 0.37 -0.40 1.21 -0.57 0.00 0.00 179.45 180.56 3kxw s ASN 508 N -5.55 5.72 0.00 0.86 3.84 -1.26 -4.70 114.94 113.85 3kxw s ASN 508 Ca -0.13 -1.77 0.18 0.00 0.21 0.00 0.00 52.86 51.35 3kxw s ASN 508 Cb 0.14 -2.02 0.83 0.00 -0.55 0.00 0.00 41.25 39.66 3kxw s ASN 508 CO 0.74 -0.66 1.58 -2.11 -2.79 0.00 0.00 177.10 173.87 3kxw n ARG 509 N 4.94 0.08 -3.32 0.43 1.85 -1.26 -4.91 116.66 114.47 3kxw n ARG 509 Ca -0.09 0.16 -0.24 0.00 -1.00 0.00 0.00 57.85 56.68 3kxw n ARG 509 Cb 0.41 -1.50 -0.01 0.00 -1.05 0.00 0.00 32.46 30.31 3kxw n ARG 509 CO 0.00 0.00 0.00 -0.06 -0.01 0.00 0.00 177.63 177.56 3kxw s PHE 510 N -2.87 3.49 0.31 2.89 0.08 -1.26 -4.98 117.98 115.63 3kxw s PHE 510 Ca 0.12 0.36 0.06 0.00 0.12 0.00 0.00 56.93 57.58 3kxw s PHE 510 Cb 0.12 -1.94 -0.06 0.00 -0.57 0.00 0.00 43.02 40.57 3kxw s PHE 510 CO 0.32 0.07 -0.02 0.16 -0.10 0.00 0.00 175.22 175.66 3kxw s ASP 512 N -4.05 2.74 0.29 1.36 1.47 -1.26 -5.12 116.67 112.10 3kxw s ASP 512 Ca 0.41 -1.27 -0.02 0.00 1.18 0.00 0.00 52.55 52.86 3kxw s ASP 512 Cb -0.10 -0.16 0.43 0.00 -0.34 0.00 0.00 42.92 42.75 3kxw s ASP 512 CO 0.37 -0.44 1.90 0.44 0.68 0.00 0.00 175.17 178.12 3kxw h ASP 513 N 2.18 0.86 -0.44 2.11 3.32 -2.03 -0.94 116.42 121.47 3kxw h ASP 513 Ca -0.41 -0.08 -0.05 0.00 0.02 0.00 0.00 57.03 56.51 3kxw h ASP 513 Cb 1.24 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 40.55 3kxw h ASP 513 CO 0.69 0.72 0.08 0.58 -1.72 0.00 0.00 179.24 179.59 3kxw h VAL 514 N 0.95 1.24 -0.65 -1.35 2.07 -2.01 -1.31 116.25 115.20 3kxw h VAL 514 Ca 0.24 -0.87 -0.07 0.00 0.82 0.00 0.00 66.70 66.82 3kxw h VAL 514 Cb 0.08 0.96 -0.03 0.00 -1.52 0.00 0.00 31.29 30.78 3kxw h VAL 514 CO -0.03 0.30 0.14 0.00 0.02 0.00 0.00 177.57 178.00 3kxw h ALA 515 N 0.95 1.02 0.26 1.67 0.00 -1.85 -0.88 119.26 120.41 3kxw h ALA 515 Ca 0.13 -0.25 -0.01 0.00 0.00 0.00 0.00 54.91 54.79 3kxw h ALA 515 Cb 0.36 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.90 3kxw h ALA 515 CO 0.01 0.63 -0.13 1.96 0.00 0.00 0.00 179.25 181.72 3kxw h GLN 516 N 0.98 -0.35 -0.53 0.00 4.20 -1.04 0.14 115.11 118.51 3kxw h GLN 516 Ca 0.20 0.02 0.09 0.00 0.06 0.00 0.00 58.65 59.02 3kxw h GLN 516 Cb 0.37 0.08 -0.07 0.00 0.30 0.00 0.00 27.48 28.16 3kxw h GLN 516 CO 0.00 -0.23 0.13 -0.44 -0.67 0.00 0.00 178.83 177.62 3kxw h ASP 517 N -0.36 0.05 -0.55 1.46 3.32 -0.94 0.94 116.42 120.34 3kxw h ASP 517 Ca -0.03 0.09 0.01 0.00 0.02 0.00 0.00 57.03 57.12 3kxw h ASP 517 Cb 0.28 0.11 -0.03 0.00 0.22 0.00 0.00 39.33 39.91 3kxw h ASP 517 CO 0.05 0.05 0.35 0.78 -1.72 0.00 0.00 179.24 178.75 3kxw h ASN 518 N 0.27 0.60 -0.22 6.45 2.35 -0.96 -1.62 115.58 122.46 3kxw h ASN 518 Ca 0.26 -0.01 -0.00 0.00 -0.55 0.00 0.00 56.30 56.00 3kxw h ASN 518 Cb 0.35 -0.15 -0.01 0.00 0.05 0.00 0.00 38.32 38.56 3kxw h ASN 518 CO -0.33 0.43 0.13 0.25 -1.65 0.00 0.00 177.43 176.27 3kxw h LEU 519 N 0.72 0.27 -0.50 1.61 5.85 0.23 -0.32 115.31 123.17 3kxw h LEU 519 Ca 0.20 -0.06 0.06 0.00 0.84 0.00 0.00 57.88 58.92 3kxw h LEU 519 Cb -0.06 -0.07 -0.05 0.00 0.37 0.00 0.00 40.66 40.85 3kxw h LEU 519 CO -0.06 0.26 0.21 -0.26 -0.34 0.00 0.00 178.44 178.25 3kxw h PHE 520 N 0.26 0.37 -0.71 1.25 0.04 -0.68 -0.09 116.94 117.39 3kxw h PHE 520 Ca 0.08 0.02 -0.05 0.00 2.80 0.00 0.00 57.97 60.83 3kxw h PHE 520 Cb 0.04 -0.09 -0.03 0.00 2.20 0.00 0.00 35.95 38.06 3kxw h PHE 520 CO -0.04 0.15 0.26 -0.91 -0.60 0.00 0.00 178.31 177.17 3kxw h ASN 521 N 0.41 0.98 -0.50 2.17 2.35 -1.02 -1.25 115.58 118.73 3kxw h ASN 521 Ca 0.23 -0.15 -0.10 0.00 -0.55 0.00 0.00 56.30 55.73 3kxw h ASN 521 Cb 0.21 -0.25 -0.02 0.00 0.05 0.00 0.00 38.32 38.30 3kxw h ASN 521 CO -0.21 0.89 -0.07 -0.33 -1.65 0.00 0.00 177.43 176.06 3kxw h GLU 522 N 1.03 0.96 -0.11 0.81 5.08 -0.47 -0.90 114.58 120.98 3kxw h GLU 522 Ca 0.24 -0.33 -0.01 0.00 -1.00 0.00 0.00 59.36 58.26 3kxw h GLU 522 Cb 0.23 -0.08 -0.00 0.00 0.50 0.00 0.00 28.75 29.40 3kxw h GLU 522 CO -0.02 0.99 0.02 0.82 -1.00 0.00 0.00 179.01 179.83 3kxw h ILE 523 N 0.87 1.21 -0.34 3.13 2.04 -0.81 -0.78 117.51 122.83 3kxw h ILE 523 Ca 0.15 -0.65 0.05 0.00 1.00 0.00 0.00 64.86 65.41 3kxw h ILE 523 Cb 0.61 1.42 -0.05 0.00 -0.74 0.00 0.00 36.82 38.06 3kxw h ILE 523 CO 0.04 0.19 0.06 0.15 0.00 0.00 0.00 178.15 178.59 3kxw h PHE 524 N -0.03 0.10 -0.72 1.37 3.57 -1.02 -2.20 116.94 118.02 3kxw h PHE 524 Ca 0.04 0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.55 3kxw h PHE 524 Cb 0.27 0.00 -0.03 0.00 2.79 0.00 0.00 35.95 38.98 3kxw h PHE 524 CO 0.01 0.01 0.44 1.49 -2.23 0.00 0.00 178.31 178.03 3kxw h GLU 525 N 0.18 0.97 -0.19 1.11 4.81 -1.09 -1.90 114.58 118.47 3kxw h GLU 525 Ca 0.16 -0.08 0.02 0.00 -0.13 0.00 0.00 59.36 59.32 3kxw h GLU 525 Cb 0.18 -0.20 -0.02 0.00 0.63 0.00 0.00 28.75 29.34 3kxw h GLU 525 CO -0.21 0.68 0.07 1.25 -0.73 0.00 0.00 179.01 180.07 3kxw h LEU 526 N 0.98 0.09 -0.50 1.64 5.85 -0.70 -1.10 115.31 121.57 3kxw h LEU 526 Ca 0.26 0.02 -0.15 0.00 0.84 0.00 0.00 57.88 58.85 3kxw h LEU 526 Cb -0.04 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 40.98 3kxw h LEU 526 CO -0.05 0.08 -0.37 0.58 -0.34 0.00 0.00 178.44 178.34 3kxw h VAL 527 N 0.17 1.28 -0.40 1.05 2.07 -1.31 -0.94 116.25 118.16 3kxw h VAL 527 Ca 0.08 -1.54 0.02 0.00 0.82 0.00 0.00 66.70 66.08 3kxw h VAL 527 Cb 0.04 1.39 -0.03 0.00 -1.52 0.00 0.00 31.29 31.18 3kxw h VAL 527 CO -0.08 0.51 0.23 0.22 0.02 0.00 0.00 177.57 178.47 3kxw h TYR 528 N 0.69 0.44 -0.23 1.57 3.20 -1.17 -0.30 116.97 121.16 3kxw h TYR 528 Ca 0.06 0.01 -0.10 0.00 3.14 0.00 0.00 58.73 61.85 3kxw h TYR 528 Cb 0.93 -0.14 -0.00 0.00 1.54 0.00 0.00 36.73 39.06 3kxw h TYR 528 CO 0.05 0.25 -0.25 0.93 -1.64 0.00 0.00 178.16 177.51 3kxw h GLU 529 N 0.47 0.58 0.00 1.82 4.39 -1.09 -1.02 114.58 119.74 3kxw h GLU 529 Ca 0.16 -0.31 -0.13 0.00 0.34 0.00 0.00 59.36 59.41 3kxw h GLU 529 Cb 0.01 0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 28.65 3kxw h GLU 529 CO -0.07 0.91 -0.67 -0.91 -1.16 0.00 0.00 179.01 177.11 3kxw h ASN 530 N 0.28 0.00 0.00 1.42 4.21 -1.16 -3.40 115.58 116.93 3kxw h ASN 530 Ca 0.04 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.55 3kxw h ASN 530 Cb 0.81 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 38.01 3kxw h ASN 530 CO 0.06 0.60 0.00 1.41 -1.29 0.00 0.00 177.43 178.21 3kxw n HIS 531 N -3.22 0.00 -3.89 1.19 8.25 -0.13 -4.43 115.22 112.99 3kxw n HIS 531 Ca 0.01 0.00 -0.29 0.00 -0.26 0.00 0.00 57.72 57.17 3kxw n HIS 531 Cb 0.78 0.00 0.03 0.00 1.12 0.00 0.00 29.99 31.92 3kxw n HIS 531 CO 0.00 0.00 0.00 1.04 0.64 0.00 0.00 176.34 178.02 3kxw n GLN 532 N -0.12 -5.57 -4.31 -0.41 3.00 -0.38 -4.99 117.38 104.60 3kxw n GLN 532 Ca 0.00 0.61 -0.20 0.00 -0.01 0.00 0.00 57.00 57.40 3kxw n GLN 532 Cb 0.11 -5.47 -0.11 0.00 0.00 0.00 0.00 30.24 24.76 3kxw n GLN 532 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.06 176.55 3kxw s LEU 533 N -7.24 2.45 -0.26 1.08 1.43 -1.23 -5.00 118.68 109.91 3kxw s LEU 533 Ca 0.61 -0.88 -0.05 0.00 -1.03 0.00 0.00 54.13 52.78 3kxw s LEU 533 Cb -0.30 -0.71 0.00 0.00 0.03 0.00 0.00 46.19 45.21 3kxw s LEU 533 CO 0.83 -0.09 0.01 -1.61 0.23 0.00 0.00 176.35 175.71 3kxw s GLU 534 N -2.92 3.20 0.11 1.70 8.01 -1.26 -2.91 118.70 124.63 3kxw s GLU 534 Ca 0.15 -0.76 -0.31 0.00 0.01 0.00 0.00 54.97 54.06 3kxw s GLU 534 Cb -0.04 -3.17 -0.08 0.00 -4.31 0.00 0.00 34.13 26.53 3kxw s GLU 534 CO 0.05 -0.32 1.38 0.08 0.01 0.00 0.00 175.26 176.46 3kxw s VAL 535 N 1.47 3.37 -0.18 2.63 1.01 -1.26 -4.60 120.40 122.84 3kxw s VAL 535 Ca 0.04 0.98 0.17 0.00 0.00 0.00 0.00 61.98 63.16 3kxw s VAL 535 Cb -0.16 -3.63 -0.25 0.00 0.00 0.00 0.00 36.38 32.35 3kxw s VAL 535 CO -0.01 0.07 0.13 1.41 0.00 0.00 0.00 175.10 176.71 3kxw n HIS 536 N 4.01 0.12 -3.80 5.22 -0.00 -0.08 -4.79 115.22 115.91 3kxw n HIS 536 Ca 0.11 0.04 -0.14 0.00 -0.00 0.00 0.00 57.72 57.74 3kxw n HIS 536 Cb 0.43 -1.02 -0.15 0.00 -0.00 0.00 0.00 29.99 29.24 3kxw n HIS 536 CO 0.00 0.00 0.00 0.99 -0.00 0.00 0.00 176.34 177.33 3kxw s THR 537 N -2.50 -0.04 -0.06 1.59 2.01 -0.98 -1.07 115.64 114.59 3kxw s THR 537 Ca -0.10 0.13 0.03 0.00 0.31 0.00 0.00 61.69 62.06 3kxw s THR 537 Cb 0.06 -0.08 0.01 0.00 0.01 0.00 0.00 72.50 72.50 3kxw s THR 537 CO 0.82 0.05 -0.15 -0.63 -0.69 0.00 0.00 174.62 174.03 3kxw s ILE 538 N 0.70 1.32 -0.08 1.82 1.01 -0.37 -0.92 121.20 124.68 3kxw s ILE 538 Ca -0.06 -0.62 0.04 0.00 0.00 0.00 0.00 60.65 60.02 3kxw s ILE 538 Cb -0.08 -1.17 -0.00 0.00 0.01 0.00 0.00 42.46 41.22 3kxw s ILE 538 CO -0.02 0.39 -0.22 -0.69 0.00 0.00 0.00 174.94 174.40 3kxw s VAL 539 N 0.39 1.88 -0.11 2.92 1.01 0.13 -0.56 120.40 126.06 3kxw s VAL 539 Ca -0.11 -0.93 -0.02 0.00 0.00 0.00 0.00 61.98 60.92 3kxw s VAL 539 Cb -0.14 -1.63 -0.03 0.00 0.00 0.00 0.00 36.38 34.58 3kxw s VAL 539 CO 0.04 0.52 -0.04 -0.76 0.00 0.00 0.00 175.10 174.86 3kxw s LEU 540 N 0.24 3.31 0.17 3.92 1.43 0.02 -0.64 118.68 127.13 3kxw s LEU 540 Ca -0.14 -0.03 0.01 0.00 -1.03 0.00 0.00 54.13 52.94 3kxw s LEU 540 Cb -0.16 -1.76 -0.04 0.00 0.03 0.00 0.00 46.19 44.25 3kxw s LEU 540 CO 0.07 0.28 0.03 0.27 0.23 0.00 0.00 176.35 177.22 3kxw s ILE 541 N -0.27 0.46 0.75 -0.59 -4.36 -0.51 -0.17 121.20 116.50 3kxw s ILE 541 Ca 0.05 -1.96 -0.12 0.00 -0.26 0.00 0.00 60.65 58.36 3kxw s ILE 541 Cb -0.13 -2.16 0.05 0.00 1.25 0.00 0.00 42.46 41.48 3kxw s ILE 541 CO 0.02 -0.41 1.11 -2.84 0.24 0.00 0.00 174.94 173.06 3kxw s PRO 542 N -3.98 2.29 0.47 0.37 0.02 -1.26 -0.60 135.00 132.31 3kxw s PRO 542 Ca 0.26 1.29 -0.22 0.00 0.02 0.00 0.00 61.00 62.35 3kxw s PRO 542 Cb 0.07 -1.89 -0.10 0.00 0.02 0.00 0.00 34.50 32.60 3kxw s PRO 542 CO 0.04 -1.64 0.91 1.28 -0.33 0.00 0.00 177.00 177.26 3kxw n LEU 543 N -3.24 2.35 -0.38 -5.54 4.77 -1.11 -2.32 117.00 111.53 3kxw n LEU 543 Ca 0.10 0.95 -0.05 0.00 -0.03 0.00 0.00 56.01 56.98 3kxw n LEU 543 Cb 0.52 -1.32 -0.02 0.00 -2.33 0.00 0.00 43.42 40.28 3kxw n LEU 543 CO 0.51 -1.85 -0.05 1.17 -1.33 0.00 0.00 177.39 175.85 3kxw n LYS 544 N -0.03 -1.46 -0.90 3.23 3.00 -1.26 -5.04 118.16 115.70 3kxw n LYS 544 Ca 0.11 0.60 -0.10 0.00 -0.00 0.00 0.00 58.31 58.92 3kxw n LYS 544 Cb 0.41 -4.80 -0.14 0.00 0.00 0.00 0.00 35.03 30.50 3kxw n LYS 544 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 3kxw n ALA 545 N 1.09 5.85 -2.46 3.14 0.00 -0.98 -4.95 120.51 122.21 3kxw n ALA 545 Ca -0.05 -1.55 -0.30 0.00 0.00 0.00 0.00 53.44 51.54 3kxw n ALA 545 Cb 0.44 -2.19 -0.12 0.00 0.00 0.00 0.00 19.45 17.58 3kxw n ALA 545 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.50 175.36 3kxw s PRO 547 N 1.01 1.87 0.27 0.00 0.02 -1.26 -5.05 135.00 131.87 3kxw s PRO 547 Ca 0.57 -1.11 -0.30 0.00 0.02 0.00 0.00 61.00 60.18 3kxw s PRO 547 Cb 0.27 -2.12 -0.13 0.00 0.02 0.00 0.00 34.50 32.54 3kxw s PRO 547 CO 0.00 0.50 1.42 1.58 -0.33 0.00 0.00 177.00 180.18 3kxw n HIS 548 N 1.15 2.35 -3.58 6.54 -0.00 -1.26 -4.94 115.22 115.49 3kxw n HIS 548 Ca -0.16 0.42 -0.07 0.00 -0.00 0.00 0.00 57.72 57.91 3kxw n HIS 548 Cb 0.52 -2.48 -0.04 0.00 -0.00 0.00 0.00 29.99 28.00 3kxw n HIS 548 CO 0.00 0.00 0.00 -0.08 -0.00 0.00 0.00 176.34 176.26 3kxw s THR 549 N -0.28 0.00 -1.71 3.57 -1.32 -1.26 -5.00 115.64 109.64 3kxw s THR 549 Ca 0.64 0.00 0.19 0.00 -1.21 0.00 0.00 61.69 61.31 3kxw s THR 549 Cb -0.60 -1.00 0.51 0.00 -1.51 0.00 0.00 72.50 69.90 3kxw s THR 549 CO 0.52 0.00 1.42 0.35 -2.21 0.00 0.00 174.62 174.71 3kxw n THR 550 N 0.34 0.91 -3.93 5.08 -2.24 -1.26 -4.90 114.28 108.28 3kxw n THR 550 Ca -0.06 -0.96 -0.35 0.00 -2.27 0.00 0.00 64.05 60.42 3kxw n THR 550 Cb 0.59 0.58 -0.14 0.00 -2.10 0.00 0.00 70.33 69.26 3kxw n THR 550 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 3kxw s SER 551 N -1.05 4.60 0.26 3.42 0.15 -1.26 -4.98 113.70 114.84 3kxw s SER 551 Ca 0.39 -1.04 -0.01 0.00 0.70 0.00 0.00 55.95 56.00 3kxw s SER 551 Cb 0.21 -1.69 0.55 0.00 -1.71 0.00 0.00 66.02 63.37 3kxw s SER 551 CO 0.28 -0.19 1.76 1.23 1.20 0.00 0.00 173.24 177.52 3kxw h GLY 552 N 8.01 1.39 0.98 9.45 0.00 -1.99 -1.76 103.07 119.15 3kxw h GLY 552 Ca -0.27 -0.24 -0.00 0.00 0.00 0.00 0.00 47.33 46.81 3kxw h GLY 552 CO 0.56 -0.05 0.16 0.50 0.00 0.00 0.00 176.54 177.71 3kxw h LYS 553 N 0.60 0.36 -0.47 4.80 1.57 -1.98 0.17 116.57 121.63 3kxw h LYS 553 Ca 0.47 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 59.22 3kxw h LYS 553 Cb 0.68 -0.08 -0.02 0.00 0.08 0.00 0.00 32.23 32.89 3kxw h LYS 553 CO -0.37 0.27 0.30 0.82 -0.57 0.00 0.00 179.45 179.90 3kxw h ILE 554 N 0.34 1.13 -0.43 1.86 1.08 -1.91 0.64 117.51 120.22 3kxw h ILE 554 Ca 0.10 -0.28 -0.00 0.00 -0.39 0.00 0.00 64.86 64.28 3kxw h ILE 554 Cb 0.01 0.48 -0.02 0.00 -3.07 0.00 0.00 36.82 34.21 3kxw h ILE 554 CO -0.02 0.13 0.26 -0.09 -0.69 0.00 0.00 178.15 177.75 3kxw h ARG 555 N 0.63 0.59 -0.54 2.37 2.43 -1.04 -1.43 114.38 117.39 3kxw h ARG 555 Ca 0.17 -0.06 -0.04 0.00 -0.81 0.00 0.00 59.98 59.24 3kxw h ARG 555 Cb -0.04 -0.12 -0.02 0.00 -0.42 0.00 0.00 29.97 29.37 3kxw h ARG 555 CO -0.03 0.44 0.18 -0.09 -1.51 0.00 0.00 179.97 178.96 3kxw h ARG 556 N 0.57 0.83 -0.40 0.20 2.43 -0.39 -2.28 114.38 115.35 3kxw h ARG 556 Ca 0.16 -0.17 -0.07 0.00 -0.81 0.00 0.00 59.98 59.09 3kxw h ARG 556 Cb 0.00 -0.12 -0.02 0.00 -0.42 0.00 0.00 29.97 29.41 3kxw h ARG 556 CO -0.03 0.75 -0.04 -0.91 -1.51 0.00 0.00 179.97 178.24 3kxw h ASN 557 N 0.75 0.62 -0.22 -3.80 2.35 -0.65 -1.05 115.58 113.57 3kxw h ASN 557 Ca 0.18 -0.15 -0.01 0.00 -0.55 0.00 0.00 56.30 55.77 3kxw h ASN 557 Cb 0.26 -0.17 -0.01 0.00 0.05 0.00 0.00 38.32 38.45 3kxw h ASN 557 CO -0.01 0.72 0.12 0.15 -1.65 0.00 0.00 177.43 176.76 3kxw h PHE 558 N 0.61 0.31 -0.51 1.19 3.57 -0.99 -1.28 116.94 119.84 3kxw h PHE 558 Ca 0.12 -0.01 -0.08 0.00 3.53 0.00 0.00 57.97 61.53 3kxw h PHE 558 Cb 0.44 -0.10 -0.02 0.00 2.79 0.00 0.00 35.95 39.07 3kxw h PHE 558 CO 0.02 0.29 0.01 0.00 -2.23 0.00 0.00 178.31 176.41 3kxw h ARG 560 N 0.76 0.93 -0.13 0.00 2.43 -1.13 -1.19 114.38 116.06 3kxw h ARG 560 Ca 0.15 -0.11 -0.17 0.00 -0.81 0.00 0.00 59.98 59.03 3kxw h ARG 560 Cb 0.50 -0.18 -0.01 0.00 -0.42 0.00 0.00 29.97 29.87 3kxw h ARG 560 CO 0.02 0.70 -0.64 -0.22 -1.51 0.00 0.00 179.97 178.33 3kxw h LYS 561 N 0.91 0.46 0.00 0.20 3.64 -0.89 -2.72 116.57 118.18 3kxw h LYS 561 Ca 0.23 -0.33 0.00 0.00 -1.27 0.00 0.00 60.65 59.28 3kxw h LYS 561 Cb 0.05 0.05 0.00 0.00 -0.41 0.00 0.00 32.23 31.92 3kxw h LYS 561 CO -0.04 0.95 -0.71 0.72 -2.27 0.00 0.00 179.45 178.11 3kxw n HIS 562 N -3.90 0.16 -0.06 1.91 8.25 -0.27 -1.01 115.22 120.30 3kxw n HIS 562 Ca -0.04 0.05 -0.15 0.00 -0.26 0.00 0.00 57.72 57.32 3kxw n HIS 562 Cb 0.65 -0.34 -0.04 0.00 1.12 0.00 0.00 29.99 31.37 3kxw n HIS 562 CO 0.00 0.00 0.00 1.25 0.64 0.00 0.00 176.34 178.23 3kxw h LEU 563 N 0.00 0.96 -0.37 2.41 5.85 -1.22 -2.58 115.31 120.35 3kxw h LEU 563 Ca 0.00 -0.55 -0.16 0.00 0.84 0.00 0.00 57.88 58.01 3kxw h LEU 563 Cb 0.60 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 41.35 3kxw h LEU 563 CO 0.00 1.34 -0.39 0.25 -0.34 0.00 0.00 178.44 179.30 3kxw h LEU 564 N 0.63 0.99 -0.68 2.25 5.85 -1.39 -2.99 115.31 119.96 3kxw h LEU 564 Ca -0.01 -0.47 0.01 0.00 0.84 0.00 0.00 57.88 58.26 3kxw h LEU 564 Cb 1.23 -0.28 -0.04 0.00 0.37 0.00 0.00 40.66 41.95 3kxw h LEU 564 CO 0.13 1.26 0.44 0.44 -0.34 0.00 0.00 178.44 180.37 3kxw h ASP 565 N 0.74 0.76 -1.03 1.25 3.45 -1.15 -3.47 116.42 116.96 3kxw h ASP 565 Ca 0.06 -0.01 -0.09 0.00 0.43 0.00 0.00 57.03 57.41 3kxw h ASP 565 Cb 0.99 -0.18 0.01 0.00 -0.56 0.00 0.00 39.33 39.58 3kxw h ASP 565 CO 0.10 0.54 -0.12 2.29 -1.57 0.00 0.00 179.24 180.48 3kxw n LYS 566 N -4.63 -0.74 -0.07 3.56 -0.00 -0.98 -4.99 118.16 110.31 3kxw n LYS 566 Ca 0.06 0.20 -0.21 0.00 -0.00 0.00 0.00 58.31 58.36 3kxw n LYS 566 Cb 0.03 -3.75 -0.13 0.00 -0.00 0.00 0.00 35.03 31.19 3kxw n LYS 566 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.40 175.03 3kxw n THR 567 N -3.72 1.62 -1.89 0.58 5.66 -1.18 -5.03 114.28 110.32 3kxw n THR 567 Ca -0.04 -0.52 -0.34 0.00 -3.05 0.00 0.00 64.05 60.10 3kxw n THR 567 Cb 0.53 -1.67 0.04 0.00 -1.55 0.00 0.00 70.33 67.67 3kxw n THR 567 CO 0.00 0.00 0.00 -1.48 -3.05 0.00 0.00 175.07 170.54 3kxw s LEU 568 N -7.00 3.49 0.08 1.09 0.05 -1.25 -4.94 118.68 110.20 3kxw s LEU 568 Ca -0.29 2.07 -0.31 0.00 0.05 0.00 0.00 54.13 55.65 3kxw s LEU 568 Cb 0.08 -4.56 -0.07 0.00 -2.05 0.00 0.00 46.19 39.59 3kxw s LEU 568 CO 0.66 -1.54 1.40 -2.84 -0.55 0.00 0.00 176.35 173.48 3kxw s PRO 569 N -3.85 4.31 -0.13 1.48 0.02 -1.26 -4.99 135.00 130.57 3kxw s PRO 569 Ca 0.69 2.06 0.01 0.00 0.02 0.00 0.00 61.00 63.78 3kxw s PRO 569 Cb -0.22 -3.35 -0.01 0.00 0.02 0.00 0.00 34.50 30.95 3kxw s PRO 569 CO 0.37 -0.48 -0.15 0.42 -0.33 0.00 0.00 177.00 176.83 3kxw s ILE 570 N 1.49 2.78 -0.11 2.83 1.01 -1.26 -4.45 121.20 123.48 3kxw s ILE 570 Ca 0.65 -0.75 -0.25 0.00 0.00 0.00 0.00 60.65 60.29 3kxw s ILE 570 Cb -0.36 -2.16 -0.27 0.00 0.01 0.00 0.00 42.46 39.69 3kxw s ILE 570 CO 0.29 0.52 0.75 0.58 0.00 0.00 0.00 174.94 177.09 3kxw h VAL 571 N 5.54 1.60 -2.48 2.92 2.07 -0.90 -3.49 116.25 121.50 3kxw h VAL 571 Ca -0.27 -2.40 0.05 0.00 0.82 0.00 0.00 66.70 64.90 3kxw h VAL 571 Cb 1.21 3.21 -0.15 0.00 -1.52 0.00 0.00 31.29 34.04 3kxw h VAL 571 CO 0.55 0.63 0.37 0.00 0.02 0.00 0.00 177.57 179.13 3kxw s ALA 572 N -2.31 -1.74 0.03 1.67 0.00 -1.14 -4.99 121.76 113.26 3kxw s ALA 572 Ca -0.18 0.88 0.05 0.00 0.00 0.00 0.00 51.96 52.70 3kxw s ALA 572 Cb -0.01 0.49 -0.02 0.00 0.00 0.00 0.00 23.12 23.59 3kxw s ALA 572 CO 0.73 -0.67 -0.14 0.99 0.00 0.00 0.00 175.76 176.67 3kxw s THR 573 N -3.09 1.11 -0.06 0.00 2.01 -1.26 -0.80 115.64 113.54 3kxw s THR 573 Ca 0.02 -0.89 0.04 0.00 0.31 0.00 0.00 61.69 61.17 3kxw s THR 573 Cb -0.01 -0.99 -0.00 0.00 0.01 0.00 0.00 72.50 71.51 3kxw s THR 573 CO -0.08 0.09 -0.20 0.86 -0.69 0.00 0.00 174.62 174.60 3kxw s TRP 574 N -0.70 2.05 -0.20 4.92 -0.00 0.27 -4.99 118.94 120.30 3kxw s TRP 574 Ca 0.03 -0.69 0.00 0.00 -0.00 0.00 0.00 56.10 55.44 3kxw s TRP 574 Cb -0.07 -1.38 0.05 0.00 -0.00 0.00 0.00 33.47 32.07 3kxw s TRP 574 CO 0.01 -0.26 -0.06 -0.65 -0.00 0.00 0.00 176.95 175.99 3kxw s GLN 575 N 0.17 1.59 0.26 5.86 -1.52 -1.26 -1.24 119.66 123.52 3kxw s GLN 575 Ca -0.09 -0.73 -0.01 0.00 -1.95 0.00 0.00 55.36 52.57 3kxw s GLN 575 Cb -0.14 -2.29 0.55 0.00 -0.22 0.00 0.00 33.01 30.91 3kxw s GLN 575 CO 0.04 -0.50 1.73 1.25 -0.25 0.00 0.00 175.29 177.56 3kxw h LEU 576 N 8.04 0.34 -2.18 2.90 5.85 -1.41 -2.40 115.31 126.45 3kxw h LEU 576 Ca -0.23 0.12 0.00 0.00 0.84 0.00 0.00 57.88 58.61 3kxw h LEU 576 Cb 1.10 0.09 0.00 0.00 0.37 0.00 0.00 40.66 42.21 3kxw h LEU 576 CO 0.42 0.09 0.00 -0.46 -0.34 0.00 0.00 178.44 178.15 3kxw n ASN 577 N -4.99 3.18 -4.68 1.25 0.23 -1.26 -4.65 115.26 104.34 3kxw n ASN 577 Ca 0.17 -1.98 -0.33 0.00 -0.53 0.00 0.00 54.58 51.92 3kxw n ASN 577 Cb 0.49 -0.36 -0.09 0.00 -2.08 0.00 0.00 39.78 37.74 3kxw n ASN 577 CO 0.00 0.00 0.00 -0.54 -0.93 0.00 0.00 177.26 175.79 3kxw s LYS 578 N -1.28 2.79 0.00 -3.83 1.02 -0.91 -4.96 119.74 112.58 3kxw s LYS 578 Ca 0.40 -0.61 0.26 0.00 0.02 0.00 0.00 55.97 56.04 3kxw s LYS 578 Cb 0.21 -2.67 0.62 0.00 -0.52 0.00 0.00 37.83 35.48 3kxw s LYS 578 CO 0.28 0.63 1.50 -0.89 -0.92 0.00 0.00 175.35 175.95