#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jiq s ALA 2 N 0.00 3.43 0.16 3.04 0.00 -1.26 -4.91 121.76 122.22 1jiq s ALA 2 Ca 0.00 -1.93 -0.24 0.00 0.00 0.00 0.00 51.96 49.79 1jiq s ALA 2 Cb 0.00 0.03 0.04 0.00 0.00 0.00 0.00 23.12 23.20 1jiq s ALA 2 CO 0.00 -0.12 1.59 0.00 0.00 0.00 0.00 175.76 177.23 1jiq h ALA 3 N 1.62 -0.26 0.22 0.00 0.00 -1.95 -1.79 119.26 117.11 1jiq h ALA 3 Ca -0.44 0.10 -0.00 0.00 0.00 0.00 0.00 54.91 54.57 1jiq h ALA 3 Cb 1.26 0.78 -0.01 0.00 0.00 0.00 0.00 17.79 19.82 1jiq h ALA 3 CO 0.77 -0.77 -0.17 1.25 0.00 0.00 0.00 179.25 180.33 1jiq h LEU 4 N -0.27 -0.44 -1.71 0.00 5.85 -1.86 -2.73 115.31 114.15 1jiq h LEU 4 Ca 0.17 0.03 -0.03 0.00 0.84 0.00 0.00 57.88 58.89 1jiq h LEU 4 Cb 0.56 0.14 -0.00 0.00 0.37 0.00 0.00 40.66 41.73 1jiq h LEU 4 CO -0.57 -0.26 -0.15 0.71 -0.34 0.00 0.00 178.44 177.83 1jiq h THR 5 N -0.40 1.09 -0.00 1.05 1.35 -1.83 0.87 112.91 115.03 1jiq h THR 5 Ca -0.01 -0.51 0.00 0.00 -0.55 0.00 0.00 66.41 65.33 1jiq h THR 5 Cb 0.35 1.28 0.00 0.00 -1.73 0.00 0.00 68.15 68.05 1jiq h THR 5 CO -0.01 0.15 -0.03 0.54 -0.25 0.00 0.00 175.52 175.92 1jiq n ARG 6 N -4.34 0.98 -2.36 4.72 1.74 -0.72 -4.67 116.66 112.02 1jiq n ARG 6 Ca -0.03 -0.25 -0.42 0.00 -0.77 0.00 0.00 57.85 56.38 1jiq n ARG 6 Cb 0.22 -1.49 -0.03 0.00 -1.02 0.00 0.00 32.46 30.14 1jiq n ARG 6 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 1jiq s ASP 7 N -2.20 6.95 0.25 0.55 -1.08 0.30 -4.93 116.67 116.51 1jiq s ASP 7 Ca 0.39 1.92 -0.03 0.00 -0.52 0.00 0.00 52.55 54.30 1jiq s ASP 7 Cb 0.21 -2.56 0.46 0.00 -1.46 0.00 0.00 42.92 39.57 1jiq s ASP 7 CO 0.40 -0.67 1.77 -0.65 0.52 0.00 0.00 175.17 176.54 1jiq h PRO 8 N 7.77 0.61 -0.04 4.34 0.11 -1.89 0.25 132.00 143.16 1jiq h PRO 8 Ca -0.34 -0.04 -0.11 0.00 0.11 0.00 0.00 66.00 65.62 1jiq h PRO 8 Cb 1.16 -0.14 -0.01 0.00 0.11 0.00 0.00 31.00 32.12 1jiq h PRO 8 CO 0.90 0.40 -0.49 1.96 -0.21 0.00 0.00 178.00 180.57 1jiq h GLN 9 N 0.63 0.09 -0.05 1.05 1.08 -1.92 0.71 115.11 116.70 1jiq h GLN 9 Ca 0.42 -0.05 -0.02 0.00 -1.45 0.00 0.00 58.65 57.55 1jiq h GLN 9 Cb 0.54 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 27.97 1jiq h GLN 9 CO -0.33 0.57 -0.06 0.35 -0.95 0.00 0.00 178.83 178.41 1jiq h PHE 10 N 0.07 0.17 -0.97 2.96 3.57 -1.69 0.15 116.94 121.20 1jiq h PHE 10 Ca 0.00 -0.05 0.06 0.00 3.53 0.00 0.00 57.97 61.51 1jiq h PHE 10 Cb 0.90 -0.03 -0.06 0.00 2.79 0.00 0.00 35.95 39.54 1jiq h PHE 10 CO 0.01 0.61 0.63 1.96 -2.23 0.00 0.00 178.31 179.28 1jiq h GLN 11 N -0.32 1.11 -0.55 1.11 4.20 -0.81 0.31 115.11 120.17 1jiq h GLN 11 Ca 0.01 -0.07 -0.01 0.00 0.06 0.00 0.00 58.65 58.64 1jiq h GLN 11 Cb 0.59 -0.25 -0.03 0.00 0.30 0.00 0.00 27.48 28.09 1jiq h GLN 11 CO 0.02 0.74 0.32 -0.22 -0.67 0.00 0.00 178.83 179.01 1jiq h LYS 12 N 1.15 0.75 -0.10 1.46 3.64 -0.69 -1.41 116.57 121.36 1jiq h LYS 12 Ca 0.41 -0.08 -0.00 0.00 -1.27 0.00 0.00 60.65 59.71 1jiq h LYS 12 Cb 0.13 -0.15 -0.00 0.00 -0.41 0.00 0.00 32.23 31.79 1jiq h LYS 12 CO -0.15 0.56 0.06 1.25 -2.27 0.00 0.00 179.45 178.90 1jiq h LEU 13 N 0.74 0.12 -0.40 5.20 6.46 0.72 -1.82 115.31 126.33 1jiq h LEU 13 Ca 0.20 -0.03 0.06 0.00 -0.12 0.00 0.00 57.88 57.98 1jiq h LEU 13 Cb 0.01 -0.03 -0.05 0.00 -0.73 0.00 0.00 40.66 39.86 1jiq h LEU 13 CO -0.03 0.12 0.11 1.56 -0.62 0.00 0.00 178.44 179.57 1jiq h GLN 14 N 0.11 0.24 -0.95 1.25 4.20 -0.15 -1.41 115.11 118.40 1jiq h GLN 14 Ca 0.04 -0.01 0.01 0.00 0.06 0.00 0.00 58.65 58.74 1jiq h GLN 14 Cb 0.02 -0.05 -0.05 0.00 0.30 0.00 0.00 27.48 27.70 1jiq h GLN 14 CO -0.01 0.16 0.63 0.37 -0.67 0.00 0.00 178.83 179.31 1jiq h GLN 15 N 0.25 1.25 -0.34 1.46 4.15 -1.12 -0.26 115.11 120.49 1jiq h GLN 15 Ca 0.19 -0.07 -0.01 0.00 0.77 0.00 0.00 58.65 59.53 1jiq h GLN 15 Cb 0.20 -0.28 -0.02 0.00 0.21 0.00 0.00 27.48 27.59 1jiq h GLN 15 CO -0.22 0.82 0.19 2.35 -1.93 0.00 0.00 178.83 180.05 1jiq h TRP 16 N 1.28 0.46 0.09 3.99 7.01 -0.78 -1.16 115.95 126.85 1jiq h TRP 16 Ca 0.35 -0.01 0.02 0.00 2.11 0.00 0.00 58.89 61.36 1jiq h TRP 16 Cb -0.14 -0.15 -0.03 0.00 -2.10 0.00 0.00 29.16 26.73 1jiq h TRP 16 CO -0.01 0.36 -0.23 -0.92 -2.79 0.00 0.00 178.44 174.85 1jiq h TYR 17 N 0.44 -0.61 -0.87 2.65 3.20 -0.65 0.43 116.97 121.54 1jiq h TYR 17 Ca 0.12 0.01 0.09 0.00 3.14 0.00 0.00 58.73 62.09 1jiq h TYR 17 Cb 0.04 0.26 -0.06 0.00 1.54 0.00 0.00 36.73 38.51 1jiq h TYR 17 CO -0.03 -0.33 0.57 0.00 -1.64 0.00 0.00 178.16 176.73 1jiq h ARG 18 N -0.41 0.87 0.00 1.82 3.08 -0.84 -1.84 114.38 117.06 1jiq h ARG 18 Ca 0.04 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 60.03 1jiq h ARG 18 Cb 0.45 -0.20 0.00 0.00 0.08 0.00 0.00 29.97 30.30 1jiq h ARG 18 CO -0.15 0.57 -0.70 0.39 -1.07 0.00 0.00 179.97 179.02 1jiq n GLU 19 N -4.51 0.12 0.00 0.04 1.02 -0.46 -4.57 120.64 112.27 1jiq n GLU 19 Ca 0.14 0.01 0.00 0.00 -0.02 0.00 0.00 57.16 57.30 1jiq n GLU 19 Cb 0.28 -1.55 0.00 0.00 -0.02 0.00 0.00 31.44 30.15 1jiq n GLU 19 CO 0.00 0.00 0.00 0.72 1.18 0.00 0.00 177.13 179.03 1jiq n HIS 20 N -1.71 0.00 -0.28 -0.32 8.25 0.14 -4.90 115.22 116.41 1jiq n HIS 20 Ca 0.04 0.00 0.01 0.00 -0.26 0.00 0.00 57.72 57.51 1jiq n HIS 20 Cb 0.38 0.00 0.06 0.00 1.12 0.00 0.00 29.99 31.55 1jiq n HIS 20 CO 0.00 0.00 0.00 -2.13 0.64 0.00 0.00 176.34 174.85 1jiq n ARG 21 N -0.35 -0.13 0.00 -0.41 0.00 -0.71 -0.13 116.66 114.93 1jiq n ARG 21 Ca 0.00 1.14 0.03 0.00 -0.00 0.00 0.00 57.85 59.02 1jiq n ARG 21 Cb 0.03 -1.69 0.14 0.00 0.00 0.00 0.00 32.46 30.94 1jiq n ARG 21 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.63 178.06 1jiq n SER 22 N -5.13 0.00 -0.42 6.15 7.64 -1.26 -0.43 113.62 120.17 1jiq n SER 22 Ca 0.09 0.48 0.14 0.00 1.01 0.00 0.00 58.87 60.59 1jiq n SER 22 Cb 0.32 -0.48 0.58 0.00 -1.01 0.00 0.00 64.21 63.61 1jiq n SER 22 CO 0.00 0.00 0.00 1.21 -3.01 0.00 0.00 175.04 173.24 1jiq n GLU 23 N -1.48 1.58 -3.09 1.43 2.13 0.81 -4.59 120.64 117.43 1jiq n GLU 23 Ca 0.02 -0.85 -0.45 0.00 0.66 0.00 0.00 57.16 56.55 1jiq n GLU 23 Cb 0.08 -1.48 -0.01 0.00 0.27 0.00 0.00 31.44 30.30 1jiq n GLU 23 CO 0.00 0.00 0.00 -0.51 -0.41 0.00 0.00 177.13 176.21 1jiq s LEU 24 N -1.99 5.59 -0.15 4.31 1.43 0.43 -4.92 118.68 123.37 1jiq s LEU 24 Ca 0.39 -2.95 0.00 0.00 -1.03 0.00 0.00 54.13 50.54 1jiq s LEU 24 Cb 0.21 -2.33 0.03 0.00 0.03 0.00 0.00 46.19 44.13 1jiq s LEU 24 CO 0.34 -0.66 -0.12 0.21 0.23 0.00 0.00 176.35 176.34 1jiq s ASN 25 N 2.50 2.73 0.15 2.29 3.84 -1.26 -5.04 114.94 120.15 1jiq s ASN 25 Ca 0.35 -0.53 -0.16 0.00 0.21 0.00 0.00 52.86 52.73 1jiq s ASN 25 Cb -0.06 -1.12 0.02 0.00 -0.55 0.00 0.00 41.25 39.54 1jiq s ASN 25 CO -0.05 -0.09 1.79 -0.07 -2.79 0.00 0.00 177.10 175.89 1jiq h LEU 26 N 8.06 0.52 -1.01 3.21 3.38 -1.92 -0.24 115.31 127.33 1jiq h LEU 26 Ca -0.35 -0.05 0.07 0.00 0.09 0.00 0.00 57.88 57.64 1jiq h LEU 26 Cb 1.13 -0.13 -0.07 0.00 0.09 0.00 0.00 40.66 41.68 1jiq h LEU 26 CO 0.50 0.42 0.65 0.03 0.09 0.00 0.00 178.44 180.13 1jiq h ARG 27 N 0.58 1.13 -0.15 1.13 3.08 -1.94 -0.04 114.38 118.17 1jiq h ARG 27 Ca 0.16 -0.07 -0.09 0.00 0.07 0.00 0.00 59.98 60.05 1jiq h ARG 27 Cb -0.01 -0.25 0.00 0.00 0.08 0.00 0.00 29.97 29.79 1jiq h ARG 27 CO -0.03 0.75 -0.26 -0.09 -1.07 0.00 0.00 179.97 179.26 1jiq h ARG 28 N 1.16 0.44 -0.36 0.04 2.43 -1.87 -1.73 114.38 114.49 1jiq h ARG 28 Ca 0.44 -0.27 0.02 0.00 -0.81 0.00 0.00 59.98 59.36 1jiq h ARG 28 Cb 0.20 0.03 -0.03 0.00 -0.42 0.00 0.00 29.97 29.75 1jiq h ARG 28 CO -0.18 0.87 0.20 -0.07 -1.51 0.00 0.00 179.97 179.27 1jiq h LEU 29 N 0.05 0.31 -0.11 3.80 3.38 -0.60 -1.42 115.31 120.70 1jiq h LEU 29 Ca 0.01 0.01 -0.01 0.00 0.09 0.00 0.00 57.88 57.98 1jiq h LEU 29 Cb 0.85 -0.05 -0.00 0.00 0.09 0.00 0.00 40.66 41.54 1jiq h LEU 29 CO 0.06 0.22 0.04 -0.26 0.09 0.00 0.00 178.44 178.59 1jiq h PHE 30 N 0.40 0.18 -0.43 1.13 -1.00 -1.04 -2.35 116.94 113.83 1jiq h PHE 30 Ca 0.14 -0.02 0.04 0.00 2.81 0.00 0.00 57.97 60.95 1jiq h PHE 30 Cb 0.03 -0.05 -0.02 0.00 3.61 0.00 0.00 35.95 39.51 1jiq h PHE 30 CO -0.08 0.29 0.29 -0.44 -1.61 0.00 0.00 178.31 176.75 1jiq h ASP 31 N 0.02 0.37 1.64 2.17 3.45 -1.13 -2.52 116.42 120.41 1jiq h ASP 31 Ca 0.04 -0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.49 1jiq h ASP 31 Cb 0.19 -0.08 0.00 0.00 -0.56 0.00 0.00 39.33 38.87 1jiq h ASP 31 CO -0.00 0.25 -0.27 0.00 -1.57 0.00 0.00 179.24 177.65 1jiq h ALA 32 N 1.76 0.86 -2.92 3.45 0.00 -1.03 -3.43 119.26 117.95 1jiq h ALA 32 Ca 0.18 0.00 -0.55 0.00 0.00 0.00 0.00 54.91 54.54 1jiq h ALA 32 Cb 0.18 0.00 -0.40 0.00 0.00 0.00 0.00 17.79 17.57 1jiq h ALA 32 CO -0.04 0.00 -0.77 1.21 0.00 0.00 0.00 179.25 179.64 1jiq s ASN 33 N -5.70 3.70 0.11 0.00 2.47 -0.91 -4.97 114.94 109.64 1jiq s ASN 33 Ca 0.06 -1.49 0.17 0.00 0.42 0.00 0.00 52.86 52.02 1jiq s ASN 33 Cb 0.07 -0.56 0.74 0.00 -1.45 0.00 0.00 41.25 40.05 1jiq s ASN 33 CO 0.69 -0.42 1.53 2.29 -3.72 0.00 0.00 177.10 177.47 1jiq n LYS 34 N 5.01 0.08 -0.06 0.43 2.85 -1.26 -1.70 118.16 123.51 1jiq n LYS 34 Ca -0.03 0.35 0.10 0.00 -1.05 0.00 0.00 58.31 57.68 1jiq n LYS 34 Cb 0.42 -1.66 0.41 0.00 -0.65 0.00 0.00 35.03 33.55 1jiq n LYS 34 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 177.40 177.10 1jiq n ASP 35 N -1.81 1.23 -0.16 -5.58 8.00 -1.26 -4.50 116.55 112.47 1jiq n ASP 35 Ca 0.03 -1.64 -0.05 0.00 0.71 0.00 0.00 54.79 53.84 1jiq n ASP 35 Cb 0.17 -0.08 0.04 0.00 -0.02 0.00 0.00 41.12 41.24 1jiq n ASP 35 CO 0.00 0.00 0.00 -0.09 -0.39 0.00 0.00 177.20 176.72 1jiq h ARG 36 N 1.63 0.46 0.15 -1.24 2.43 -1.68 -0.93 114.38 115.20 1jiq h ARG 36 Ca 0.00 -0.03 -0.00 0.00 -0.81 0.00 0.00 59.98 59.14 1jiq h ARG 36 Cb 0.36 -0.10 -0.00 0.00 -0.42 0.00 0.00 29.97 29.80 1jiq h ARG 36 CO 0.00 0.30 -0.09 0.35 -1.51 0.00 0.00 179.97 179.02 1jiq h PHE 37 N 0.47 -0.24 -0.94 2.20 3.57 -1.85 -1.34 116.94 118.81 1jiq h PHE 37 Ca 0.21 -0.00 0.08 0.00 3.53 0.00 0.00 57.97 61.79 1jiq h PHE 37 Cb 0.12 0.08 -0.07 0.00 2.79 0.00 0.00 35.95 38.88 1jiq h PHE 37 CO -0.10 -0.15 0.61 -0.97 -2.23 0.00 0.00 178.31 175.47 1jiq h ASN 38 N -0.24 0.92 1.25 0.41 -0.73 -1.77 -2.45 115.58 112.97 1jiq h ASN 38 Ca -0.01 0.02 0.00 0.00 1.87 0.00 0.00 56.30 58.17 1jiq h ASN 38 Cb 0.20 -0.18 0.00 0.00 0.27 0.00 0.00 38.32 38.61 1jiq h ASN 38 CO 0.01 0.56 -0.40 0.45 -0.37 0.00 0.00 177.43 177.69 1jiq h HIS 39 N 1.03 0.00 -0.81 0.67 3.86 -0.99 -3.35 115.15 115.56 1jiq h HIS 39 Ca 0.42 0.00 -0.52 0.00 -1.16 0.00 0.00 60.37 59.11 1jiq h HIS 39 Cb 0.29 0.00 -0.43 0.00 1.06 0.00 0.00 27.41 28.33 1jiq h HIS 39 CO -0.00 0.00 -0.84 1.19 0.86 0.00 0.00 177.93 179.14 1jiq n PHE 40 N -2.41 2.67 -3.81 2.45 3.01 -0.52 -5.01 117.46 113.82 1jiq n PHE 40 Ca 0.04 -2.32 -0.11 0.00 1.01 0.00 0.00 57.45 56.07 1jiq n PHE 40 Cb 0.47 -0.30 -0.08 0.00 -0.01 0.00 0.00 39.48 39.56 1jiq n PHE 40 CO 0.00 0.00 0.00 -1.54 1.01 0.00 0.00 176.76 176.23 1jiq s SER 41 N -3.61 -0.02 -0.07 4.37 1.04 -1.05 -1.41 113.70 112.96 1jiq s SER 41 Ca 0.48 -0.29 0.04 0.00 0.48 0.00 0.00 55.95 56.66 1jiq s SER 41 Cb 0.40 0.31 0.00 0.00 0.10 0.00 0.00 66.02 66.83 1jiq s SER 41 CO 0.01 -0.57 -0.18 -0.76 0.98 0.00 0.00 173.24 172.72 1jiq s LEU 42 N -2.03 1.90 -0.21 2.42 1.43 0.02 -4.97 118.68 117.23 1jiq s LEU 42 Ca -0.06 -0.41 -0.04 0.00 -1.03 0.00 0.00 54.13 52.59 1jiq s LEU 42 Cb -0.01 -1.09 -0.01 0.00 0.03 0.00 0.00 46.19 45.11 1jiq s LEU 42 CO -0.03 0.13 -0.03 0.42 0.23 0.00 0.00 176.35 177.06 1jiq s THR 43 N 0.28 3.54 -0.19 5.49 -4.23 -1.26 -0.24 115.64 119.03 1jiq s THR 43 Ca -0.11 -0.44 -0.04 0.00 -1.18 0.00 0.00 61.69 59.92 1jiq s THR 43 Cb -0.15 -2.60 -0.02 0.00 1.34 0.00 0.00 72.50 71.07 1jiq s THR 43 CO 0.05 0.42 -0.03 -0.76 -0.54 0.00 0.00 174.62 173.76 1jiq s LEU 44 N 1.32 3.10 -0.44 4.79 1.43 0.99 -4.97 118.68 124.91 1jiq s LEU 44 Ca 0.04 -0.24 -0.14 0.00 -1.03 0.00 0.00 54.13 52.76 1jiq s LEU 44 Cb -0.14 -1.77 0.06 0.00 0.03 0.00 0.00 46.19 44.36 1jiq s LEU 44 CO -0.01 0.08 0.33 0.21 0.23 0.00 0.00 176.35 177.19 1jiq s ASN 45 N 0.88 5.99 0.00 2.29 3.84 -1.26 -0.41 114.94 126.27 1jiq s ASN 45 Ca -0.00 -1.23 0.30 0.00 0.21 0.00 0.00 52.86 52.14 1jiq s ASN 45 Cb -0.15 -2.12 1.45 0.00 -0.55 0.00 0.00 41.25 39.88 1jiq s ASN 45 CO 0.01 -0.55 1.97 0.35 -2.79 0.00 0.00 177.10 176.09 1jiq n THR 46 N 5.12 0.00 -0.22 -5.21 -2.24 -0.62 -4.88 114.28 106.22 1jiq n THR 46 Ca -0.12 -0.11 0.00 0.00 -2.27 0.00 0.00 64.05 61.55 1jiq n THR 46 Cb 0.44 -0.02 0.00 0.00 -2.10 0.00 0.00 70.33 68.65 1jiq n THR 46 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 1jiq n ASN 47 N -0.50 0.00 -1.06 3.42 3.02 -1.26 -4.72 115.26 114.16 1jiq n ASN 47 Ca 0.20 0.00 0.05 0.00 -0.03 0.00 0.00 54.58 54.80 1jiq n ASN 47 Cb 0.24 -0.69 0.12 0.00 -0.61 0.00 0.00 39.78 38.84 1jiq n ASN 47 CO 0.00 0.00 0.00 1.41 -2.62 0.00 0.00 177.26 176.05 1jiq n HIS 48 N -2.00 0.05 0.00 3.10 8.25 -1.26 -5.08 115.22 118.29 1jiq n HIS 48 Ca 0.00 -1.06 0.00 0.00 -0.26 0.00 0.00 57.72 56.40 1jiq n HIS 48 Cb 0.00 -0.21 0.00 0.00 1.12 0.00 0.00 29.99 30.90 1jiq n HIS 48 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1jiq n GLY 49 N -0.37 4.03 3.84 -1.41 0.00 -1.26 -4.77 105.19 105.25 1jiq n GLY 49 Ca 0.13 -1.58 -0.33 0.00 0.00 0.00 0.00 46.02 44.24 1jiq n GLY 49 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1jiq s HIS 50 N -2.22 3.41 -0.15 1.61 3.76 -1.26 -1.59 115.29 118.84 1jiq s HIS 50 Ca 0.00 0.27 0.02 0.00 -0.15 0.00 0.00 55.06 55.19 1jiq s HIS 50 Cb 0.00 -1.77 0.01 0.00 1.11 0.00 0.00 32.58 31.93 1jiq s HIS 50 CO 0.00 0.59 -0.20 0.42 -0.85 0.00 0.00 174.74 174.70 1jiq s ILE 51 N -1.28 2.20 -0.35 0.60 1.01 0.45 -1.67 121.20 122.15 1jiq s ILE 51 Ca 0.26 -0.92 -0.11 0.00 0.00 0.00 0.00 60.65 59.87 1jiq s ILE 51 Cb -0.12 -1.90 0.01 0.00 0.01 0.00 0.00 42.46 40.46 1jiq s ILE 51 CO 0.17 0.54 0.21 -0.22 0.00 0.00 0.00 174.94 175.64 1jiq s LEU 52 N 0.92 4.55 -0.63 2.97 2.96 0.14 -0.01 118.68 129.58 1jiq s LEU 52 Ca -0.04 -0.74 -0.15 0.00 -0.22 0.00 0.00 54.13 52.98 1jiq s LEU 52 Cb -0.15 -2.06 0.16 0.00 0.50 0.00 0.00 46.19 44.64 1jiq s LEU 52 CO -0.04 -0.31 0.58 -0.69 -1.32 0.00 0.00 176.35 174.57 1jiq s VAL 53 N 1.62 5.31 -0.54 1.68 1.01 0.67 -1.34 120.40 128.80 1jiq s VAL 53 Ca 0.04 -1.82 -0.18 0.00 0.00 0.00 0.00 61.98 60.02 1jiq s VAL 53 Cb -0.18 -4.36 0.09 0.00 0.00 0.00 0.00 36.38 31.92 1jiq s VAL 53 CO 0.08 -0.92 0.60 -0.62 0.00 0.00 0.00 175.10 174.24 1jiq s ASP 54 N 3.11 6.19 -0.25 3.32 2.15 0.09 -0.80 116.67 130.48 1jiq s ASP 54 Ca 0.08 -1.30 0.13 0.00 0.43 0.00 0.00 52.55 51.89 1jiq s ASP 54 Cb -0.24 -2.27 0.65 0.00 -0.30 0.00 0.00 42.92 40.77 1jiq s ASP 54 CO -0.01 -0.93 1.61 0.00 -0.17 0.00 0.00 175.17 175.67 1jiq n TYR 55 N 5.94 1.65 0.25 -5.34 0.18 -0.62 -1.40 117.16 117.83 1jiq n TYR 55 Ca -0.10 -1.04 0.15 0.00 1.88 0.00 0.00 57.90 58.79 1jiq n TYR 55 Cb 0.43 -0.49 0.47 0.00 -0.38 0.00 0.00 39.34 39.37 1jiq n TYR 55 CO 0.00 0.00 0.00 0.66 -2.08 0.00 0.00 176.86 175.44 1jiq h SER 56 N 2.38 0.00 -0.58 9.48 4.64 -1.51 -3.07 113.55 124.89 1jiq h SER 56 Ca 0.11 0.00 -0.34 0.00 -0.47 0.00 0.00 61.79 61.09 1jiq h SER 56 Cb 1.86 0.00 -0.18 0.00 -0.31 0.00 0.00 62.40 63.77 1jiq h SER 56 CO 0.46 0.01 0.44 0.29 -0.87 0.00 0.00 176.83 177.16 1jiq n LYS 57 N -3.10 1.84 -4.12 4.77 5.02 -1.26 -4.89 118.16 116.42 1jiq n LYS 57 Ca 0.02 -1.83 -0.25 0.00 -2.02 0.00 0.00 58.31 54.23 1jiq n LYS 57 Cb 0.40 -1.72 -0.06 0.00 -0.02 0.00 0.00 35.03 33.64 1jiq n LYS 57 CO 0.00 0.00 0.00 -0.80 -0.52 0.00 0.00 177.40 176.08 1jiq s ASN 58 N -0.29 5.33 -1.42 4.39 -0.87 -1.16 -1.63 114.94 119.29 1jiq s ASN 58 Ca 0.35 -0.23 -0.13 0.00 -1.57 0.00 0.00 52.86 51.28 1jiq s ASN 58 Cb 0.29 -1.32 0.07 0.00 -0.02 0.00 0.00 41.25 40.26 1jiq s ASN 58 CO 0.03 0.05 2.14 0.18 -2.57 0.00 0.00 177.10 176.93 1jiq n LEU 59 N -0.50 6.79 -3.87 0.60 4.77 -1.26 -4.86 117.00 118.67 1jiq n LEU 59 Ca -0.08 -4.25 -0.11 0.00 -0.03 0.00 0.00 56.01 51.54 1jiq n LEU 59 Cb 0.56 -1.62 -0.09 0.00 -2.33 0.00 0.00 43.42 39.93 1jiq n LEU 59 CO 0.42 1.15 -0.15 0.68 -1.33 0.00 0.00 177.39 178.16 1jiq s VAL 60 N 2.59 0.10 0.43 4.08 -7.23 -1.26 -5.05 120.40 114.07 1jiq s VAL 60 Ca 0.45 -0.83 0.05 0.00 -1.81 0.00 0.00 61.98 59.84 1jiq s VAL 60 Cb 0.13 -0.68 -0.06 0.00 0.56 0.00 0.00 36.38 36.33 1jiq s VAL 60 CO -0.07 -0.46 0.02 0.42 -0.31 0.00 0.00 175.10 174.70 1jiq s THR 61 N -1.99 1.61 0.26 5.32 -4.23 -1.26 -5.00 115.64 110.36 1jiq s THR 61 Ca -0.10 -2.00 -0.03 0.00 -1.18 0.00 0.00 61.69 58.38 1jiq s THR 61 Cb -0.04 -2.70 0.24 0.00 1.34 0.00 0.00 72.50 71.34 1jiq s THR 61 CO -0.01 0.00 1.83 -0.33 -0.54 0.00 0.00 174.62 175.57 1jiq h GLU 62 N 1.67 0.87 -0.72 3.99 3.07 -1.99 -0.45 114.58 121.03 1jiq h GLU 62 Ca -0.43 -0.05 -0.02 0.00 -0.50 0.00 0.00 59.36 58.35 1jiq h GLU 62 Cb 1.26 -0.20 -0.03 0.00 -0.84 0.00 0.00 28.75 28.94 1jiq h GLU 62 CO 0.77 0.58 0.37 -0.44 -1.40 0.00 0.00 179.01 178.89 1jiq h ASP 63 N 0.90 0.93 -0.30 1.42 3.32 -1.99 -0.59 116.42 120.11 1jiq h ASP 63 Ca 0.43 -0.12 -0.01 0.00 0.02 0.00 0.00 57.03 57.34 1jiq h ASP 63 Cb 0.36 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 39.66 1jiq h ASP 63 CO -0.24 0.78 0.13 0.58 -1.72 0.00 0.00 179.24 178.78 1jiq h VAL 64 N 1.00 1.17 -0.73 -1.35 2.07 -1.53 -0.87 116.25 116.02 1jiq h VAL 64 Ca 0.25 -0.50 -0.01 0.00 0.82 0.00 0.00 66.70 67.27 1jiq h VAL 64 Cb 0.08 0.93 -0.04 0.00 -1.52 0.00 0.00 31.29 30.75 1jiq h VAL 64 CO -0.04 0.17 0.43 0.24 0.02 0.00 0.00 177.57 178.40 1jiq h MET 65 N 0.35 0.99 -0.50 1.57 2.86 -0.87 -0.54 114.93 118.80 1jiq h MET 65 Ca 0.10 -0.09 -0.03 0.00 -2.06 0.00 0.00 59.70 57.62 1jiq h MET 65 Cb 0.15 -0.21 -0.02 0.00 0.06 0.00 0.00 31.60 31.58 1jiq h MET 65 CO -0.01 0.71 0.19 -0.09 1.06 0.00 0.00 176.91 178.76 1jiq h ARG 66 N 1.01 0.75 -0.37 1.72 2.43 -0.63 -0.77 114.38 118.51 1jiq h ARG 66 Ca 0.26 -0.14 -0.07 0.00 -0.81 0.00 0.00 59.98 59.22 1jiq h ARG 66 Cb -0.02 -0.12 -0.02 0.00 -0.42 0.00 0.00 29.97 29.39 1jiq h ARG 66 CO -0.05 0.68 -0.06 0.52 -1.51 0.00 0.00 179.97 179.55 1jiq h MET 67 N 0.66 0.62 -0.17 0.20 2.86 -0.66 -1.26 114.93 117.18 1jiq h MET 67 Ca 0.16 -0.17 -0.02 0.00 -2.06 0.00 0.00 59.70 57.62 1jiq h MET 67 Cb 0.22 -0.07 -0.01 0.00 0.06 0.00 0.00 31.60 31.80 1jiq h MET 67 CO -0.01 0.68 0.04 -0.07 1.06 0.00 0.00 176.91 178.61 1jiq h LEU 68 N 0.57 0.25 -0.94 1.22 3.38 -0.74 -0.94 115.31 118.12 1jiq h LEU 68 Ca 0.11 -0.23 0.01 0.00 0.09 0.00 0.00 57.88 57.86 1jiq h LEU 68 Cb 0.45 -0.07 -0.05 0.00 0.09 0.00 0.00 40.66 41.09 1jiq h LEU 68 CO 0.02 0.42 0.61 0.58 0.09 0.00 0.00 178.44 180.16 1jiq h VAL 69 N 0.08 1.25 -0.10 1.22 2.07 -0.91 -1.68 116.25 118.17 1jiq h VAL 69 Ca 0.05 -0.47 -0.03 0.00 0.82 0.00 0.00 66.70 67.08 1jiq h VAL 69 Cb 0.26 -0.12 -0.01 0.00 -1.52 0.00 0.00 31.29 29.90 1jiq h VAL 69 CO 0.00 0.24 -0.08 0.44 0.02 0.00 0.00 177.57 178.19 1jiq h ASP 70 N 1.28 0.14 -0.33 0.57 3.32 -0.95 -1.57 116.42 118.88 1jiq h ASP 70 Ca 0.34 -0.02 -0.06 0.00 0.02 0.00 0.00 57.03 57.31 1jiq h ASP 70 Cb -0.13 -0.04 -0.01 0.00 0.22 0.00 0.00 39.33 39.38 1jiq h ASP 70 CO -0.07 0.25 -0.02 0.25 -1.72 0.00 0.00 179.24 177.92 1jiq h LEU 71 N 0.15 0.59 -0.97 1.55 5.85 -0.28 0.21 115.31 122.41 1jiq h LEU 71 Ca 0.03 -0.32 -0.01 0.00 0.84 0.00 0.00 57.88 58.42 1jiq h LEU 71 Cb 0.24 -0.16 -0.04 0.00 0.37 0.00 0.00 40.66 41.07 1jiq h LEU 71 CO 0.01 0.77 0.51 0.00 -0.34 0.00 0.00 178.44 179.40 1jiq h ALA 72 N 0.84 1.22 -0.19 1.25 0.00 -0.79 0.20 119.26 121.79 1jiq h ALA 72 Ca 0.09 -0.12 -0.02 0.00 0.00 0.00 0.00 54.91 54.86 1jiq h ALA 72 Cb 0.48 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 1jiq h ALA 72 CO 0.02 0.65 0.03 0.87 0.00 0.00 0.00 179.25 180.82 1jiq h LYS 73 N 1.24 0.31 -0.70 0.00 1.57 -1.09 -2.10 116.57 115.81 1jiq h LYS 73 Ca 0.32 -0.08 -0.00 0.00 -1.87 0.00 0.00 60.65 59.01 1jiq h LYS 73 Cb -0.01 -0.04 -0.03 0.00 0.08 0.00 0.00 32.23 32.23 1jiq h LYS 73 CO -0.06 0.47 0.42 1.03 -0.57 0.00 0.00 179.45 180.74 1jiq h SER 74 N 0.10 0.84 -0.02 0.86 0.87 -0.06 -1.76 113.55 114.39 1jiq h SER 74 Ca 0.06 -0.05 0.00 0.00 -1.23 0.00 0.00 61.79 60.57 1jiq h SER 74 Cb 0.31 -0.21 0.00 0.00 -0.44 0.00 0.00 62.40 62.06 1jiq h SER 74 CO 0.00 0.65 0.00 0.54 -0.53 0.00 0.00 176.83 177.49 1jiq n ARG 75 N -4.39 1.17 -2.92 2.24 5.12 0.65 -4.94 116.66 113.58 1jiq n ARG 75 Ca 0.07 -0.25 -0.13 0.00 -1.93 0.00 0.00 57.85 55.62 1jiq n ARG 75 Cb 0.07 -1.43 0.03 0.00 -1.16 0.00 0.00 32.46 29.97 1jiq n ARG 75 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1jiq n GLY 76 N 0.98 0.10 0.11 -0.13 0.00 -0.66 -4.79 105.19 100.80 1jiq n GLY 76 Ca 0.20 -0.22 -0.10 0.00 0.00 0.00 0.00 46.02 45.90 1jiq n GLY 76 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1jiq h VAL 77 N -1.17 1.05 -0.53 1.61 2.07 -1.64 -1.42 116.25 116.22 1jiq h VAL 77 Ca -0.30 -0.10 0.02 0.00 0.82 0.00 0.00 66.70 67.14 1jiq h VAL 77 Cb 1.20 0.75 -0.03 0.00 -1.52 0.00 0.00 31.29 31.69 1jiq h VAL 77 CO 0.30 0.05 0.33 -0.33 0.02 0.00 0.00 177.57 177.95 1jiq h GLU 78 N 0.27 0.65 -0.63 1.57 5.08 -1.93 0.15 114.58 119.76 1jiq h GLU 78 Ca 0.07 -0.04 -0.05 0.00 -1.00 0.00 0.00 59.36 58.35 1jiq h GLU 78 Cb -0.03 -0.15 -0.03 0.00 0.50 0.00 0.00 28.75 29.05 1jiq h GLU 78 CO -0.02 0.43 0.21 0.00 -1.00 0.00 0.00 179.01 178.63 1jiq h ALA 79 N 1.22 0.82 -0.65 3.43 0.00 -1.90 -1.23 119.26 120.94 1jiq h ALA 79 Ca 0.20 -0.20 -0.06 0.00 0.00 0.00 0.00 54.91 54.86 1jiq h ALA 79 Cb -0.02 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.50 1jiq h ALA 79 CO -0.07 0.48 0.19 0.00 0.00 0.00 0.00 179.25 179.84 1jiq h ALA 80 N 1.08 0.86 -0.45 0.00 0.00 -0.79 -2.10 119.26 117.86 1jiq h ALA 80 Ca 0.20 -0.22 0.06 0.00 0.00 0.00 0.00 54.91 54.95 1jiq h ALA 80 Cb 0.27 -0.25 -0.05 0.00 0.00 0.00 0.00 17.79 17.76 1jiq h ALA 80 CO -0.01 0.55 0.16 -0.09 0.00 0.00 0.00 179.25 179.86 1jiq h ARG 81 N 0.96 0.32 -0.81 0.00 2.43 -0.16 -2.11 114.38 115.01 1jiq h ARG 81 Ca 0.21 -0.02 -0.01 0.00 -0.81 0.00 0.00 59.98 59.35 1jiq h ARG 81 Cb 0.32 -0.07 -0.04 0.00 -0.42 0.00 0.00 29.97 29.76 1jiq h ARG 81 CO -0.00 0.21 0.46 0.93 -1.51 0.00 0.00 179.97 180.06 1jiq h GLU 82 N 0.33 1.11 -0.92 0.20 4.39 -0.79 -1.86 114.58 117.04 1jiq h GLU 82 Ca 0.21 -0.11 -0.01 0.00 0.34 0.00 0.00 59.36 59.79 1jiq h GLU 82 Cb 0.21 -0.23 -0.04 0.00 -0.10 0.00 0.00 28.75 28.59 1jiq h GLU 82 CO -0.22 0.80 0.53 0.00 -1.16 0.00 0.00 179.01 178.97 1jiq h ARG 83 N 1.12 1.27 0.58 2.33 3.08 -0.79 0.74 114.38 122.71 1jiq h ARG 83 Ca 0.29 -0.13 -0.03 0.00 0.07 0.00 0.00 59.98 60.18 1jiq h ARG 83 Cb -0.00 -0.26 0.01 0.00 0.08 0.00 0.00 29.97 29.80 1jiq h ARG 83 CO -0.05 0.90 -0.28 1.98 -1.07 0.00 0.00 179.97 181.46 1jiq h MET 84 N 1.28 -0.75 0.00 0.04 4.05 -0.73 -1.07 114.93 117.76 1jiq h MET 84 Ca 0.33 0.05 -0.03 0.00 -0.28 0.00 0.00 59.70 59.77 1jiq h MET 84 Cb -0.02 0.17 -0.00 0.00 -0.80 0.00 0.00 31.60 30.95 1jiq h MET 84 CO -0.06 -0.45 -0.14 0.74 0.23 0.00 0.00 176.91 177.23 1jiq h PHE 85 N -0.90 0.00 -0.00 1.39 -1.00 -1.21 -2.12 116.94 113.11 1jiq h PHE 85 Ca -0.08 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.70 1jiq h PHE 85 Cb 0.64 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.20 1jiq h PHE 85 CO -0.01 0.14 -0.16 0.09 -1.61 0.00 0.00 178.31 176.75 1jiq n ASN 86 N -4.20 0.32 0.00 2.17 5.03 0.23 -4.91 115.26 113.90 1jiq n ASN 86 Ca -0.02 -0.17 0.00 0.00 0.87 0.00 0.00 54.58 55.25 1jiq n ASN 86 Cb 0.21 -0.13 0.00 0.00 -1.02 0.00 0.00 39.78 38.84 1jiq n ASN 86 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1jiq n GLY 87 N 1.39 0.75 3.77 7.41 0.00 -0.80 -4.32 105.19 113.40 1jiq n GLY 87 Ca 0.10 -0.27 -0.33 0.00 0.00 0.00 0.00 46.02 45.52 1jiq n GLY 87 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1jiq s GLU 88 N -0.74 2.70 -1.31 1.61 2.02 -0.43 -4.67 118.70 117.88 1jiq s GLU 88 Ca 0.00 1.37 -0.11 0.00 0.02 0.00 0.00 54.97 56.25 1jiq s GLU 88 Cb 0.00 -1.94 -0.06 0.00 0.10 0.00 0.00 34.13 32.23 1jiq s GLU 88 CO 0.00 -1.32 2.47 1.63 0.02 0.00 0.00 175.26 178.06 1jiq n LYS 89 N -2.58 2.85 0.13 1.61 4.01 -1.26 -4.20 118.16 118.72 1jiq n LYS 89 Ca 0.10 -2.06 0.12 0.00 -0.51 0.00 0.00 58.31 55.97 1jiq n LYS 89 Cb 0.52 -2.83 0.46 0.00 -0.51 0.00 0.00 35.03 32.67 1jiq n LYS 89 CO 0.00 0.00 0.00 0.44 -1.11 0.00 0.00 177.40 176.73 1jiq n ILE 90 N 4.35 0.74 -2.56 -0.18 -5.35 -1.14 -3.88 119.36 111.34 1jiq n ILE 90 Ca 0.61 0.03 -0.43 0.00 -0.27 0.00 0.00 62.75 62.69 1jiq n ILE 90 Cb 0.26 -0.95 0.00 0.00 -1.74 0.00 0.00 39.64 37.21 1jiq n ILE 90 CO 0.00 0.00 0.00 -3.20 -1.76 0.00 0.00 176.55 171.59 1jiq n ASN 91 N -2.29 4.90 0.23 7.28 4.05 -0.56 -4.83 115.26 124.05 1jiq n ASN 91 Ca 0.03 -2.94 0.08 0.00 0.45 0.00 0.00 54.58 52.20 1jiq n ASN 91 Cb 0.31 -1.67 0.55 0.00 1.23 0.00 0.00 39.78 40.20 1jiq n ASN 91 CO 0.00 0.00 0.00 0.10 -3.05 0.00 0.00 177.26 174.31 1jiq h TYR 92 N 7.10 0.00 -0.00 1.20 -0.00 -1.82 0.14 116.97 123.59 1jiq h TYR 92 Ca 0.42 0.00 -0.17 0.00 0.00 0.00 0.00 58.73 58.98 1jiq h TYR 92 Cb 0.82 0.00 -0.02 0.00 0.00 0.00 0.00 36.73 37.53 1jiq h TYR 92 CO 1.32 0.22 -0.79 1.79 -0.00 0.00 0.00 178.16 180.70 1jiq h THR 93 N 0.00 1.55 -0.01 -0.90 1.35 -1.93 -3.21 112.91 109.76 1jiq h THR 93 Ca -0.00 -2.67 0.00 0.00 -0.55 0.00 0.00 66.41 63.19 1jiq h THR 93 Cb 0.48 2.44 0.00 0.00 -1.73 0.00 0.00 68.15 69.35 1jiq h THR 93 CO 0.03 0.76 -0.37 -0.62 -0.25 0.00 0.00 175.52 175.08 1jiq n GLU 94 N -3.62 1.52 -3.49 4.72 1.02 -1.06 -5.00 120.64 114.73 1jiq n GLU 94 Ca -0.01 -0.93 -0.20 0.00 -0.02 0.00 0.00 57.16 56.00 1jiq n GLU 94 Cb 0.76 -1.35 0.08 0.00 -0.02 0.00 0.00 31.44 30.91 1jiq n GLU 94 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1jiq n GLY 95 N 1.24 -0.43 3.40 0.62 0.00 0.43 -5.02 105.19 105.44 1jiq n GLY 95 Ca 0.08 0.16 -0.21 0.00 0.00 0.00 0.00 46.02 46.05 1jiq n GLY 95 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1jiq s ARG 96 N -5.83 1.48 0.73 1.61 0.52 -0.82 -4.98 118.95 111.67 1jiq s ARG 96 Ca 0.30 -1.64 -0.10 0.00 -0.52 0.00 0.00 55.73 53.77 1jiq s ARG 96 Cb -0.13 -1.45 0.05 0.00 0.52 0.00 0.00 34.95 33.94 1jiq s ARG 96 CO 0.71 0.26 1.09 0.00 0.02 0.00 0.00 175.30 177.38 1jiq s ALA 97 N -2.63 2.90 -0.37 2.13 0.00 -1.26 -1.50 121.76 121.03 1jiq s ALA 97 Ca 0.25 -0.64 0.01 0.00 0.00 0.00 0.00 51.96 51.58 1jiq s ALA 97 Cb -0.03 -2.86 0.12 0.00 0.00 0.00 0.00 23.12 20.35 1jiq s ALA 97 CO 0.10 -1.35 0.16 0.08 0.00 0.00 0.00 175.76 174.75 1jiq s VAL 98 N -3.38 1.17 -0.27 0.00 1.01 -1.26 -4.32 120.40 113.35 1jiq s VAL 98 Ca 0.60 -1.98 0.15 0.00 0.00 0.00 0.00 61.98 60.75 1jiq s VAL 98 Cb -0.11 -1.85 0.48 0.00 0.00 0.00 0.00 36.38 34.90 1jiq s VAL 98 CO 0.48 -0.78 1.15 0.18 0.00 0.00 0.00 175.10 176.13 1jiq n LEU 99 N 4.21 3.25 0.29 3.92 4.77 -0.73 -4.71 117.00 127.99 1jiq n LEU 99 Ca 0.04 -3.88 0.14 0.00 -0.03 0.00 0.00 56.01 52.27 1jiq n LEU 99 Cb 0.38 0.05 0.85 0.00 -2.33 0.00 0.00 43.42 42.38 1jiq n LEU 99 CO 0.18 1.56 1.10 1.12 -1.33 0.00 0.00 177.39 180.02 1jiq h HIS 100 N 2.36 0.00 0.00 -1.77 2.07 -1.87 -0.34 115.15 115.60 1jiq h HIS 100 Ca 0.11 0.00 -0.02 0.00 -2.85 0.00 0.00 60.37 57.61 1jiq h HIS 100 Cb 1.41 0.00 -0.00 0.00 2.57 0.00 0.00 27.41 31.38 1jiq h HIS 100 CO 0.67 0.02 -0.12 -0.39 -3.07 0.00 0.00 177.93 175.04 1jiq h VAL 101 N 0.00 0.55 0.00 6.12 -1.51 -1.95 -1.86 116.25 117.60 1jiq h VAL 101 Ca -0.00 -0.54 -0.13 0.00 -1.23 0.00 0.00 66.70 64.80 1jiq h VAL 101 Cb 0.04 1.36 -0.02 0.00 -2.13 0.00 0.00 31.29 30.54 1jiq h VAL 101 CO 0.00 0.12 -0.62 0.00 -1.23 0.00 0.00 177.57 175.84 1jiq h ALA 102 N 1.88 0.98 -0.13 5.19 0.00 -1.42 -2.86 119.26 122.90 1jiq h ALA 102 Ca -0.00 -0.56 -0.02 0.00 0.00 0.00 0.00 54.91 54.33 1jiq h ALA 102 Cb 0.35 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 1jiq h ALA 102 CO 0.02 0.77 -0.01 -0.07 0.00 0.00 0.00 179.25 179.96 1jiq h LEU 103 N 0.00 0.16 -3.17 0.00 3.38 -1.29 -2.59 115.31 111.80 1jiq h LEU 103 Ca -0.01 -0.02 -0.04 0.00 0.09 0.00 0.00 57.88 57.91 1jiq h LEU 103 Cb 1.10 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 41.78 1jiq h LEU 103 CO 0.08 0.21 -0.07 -2.11 0.09 0.00 0.00 178.44 176.64 1jiq n ARG 104 N -4.42 2.03 -2.13 1.13 1.85 -1.19 -4.91 116.66 109.03 1jiq n ARG 104 Ca -0.01 -2.89 -0.42 0.00 -1.00 0.00 0.00 57.85 53.53 1jiq n ARG 104 Cb 0.16 -1.71 -0.00 0.00 -1.05 0.00 0.00 32.46 29.85 1jiq n ARG 104 CO 0.00 0.00 0.00 -1.71 -0.01 0.00 0.00 177.63 175.91 1jiq n ASN 105 N -1.00 4.30 0.30 2.89 5.15 -0.98 -4.29 115.26 121.64 1jiq n ASN 105 Ca 0.22 -2.87 0.17 0.00 -0.60 0.00 0.00 54.58 51.51 1jiq n ASN 105 Cb 0.83 -1.69 0.97 0.00 -0.53 0.00 0.00 39.78 39.36 1jiq n ASN 105 CO 0.00 0.00 0.00 0.03 1.40 0.00 0.00 177.26 178.69 1jiq h ARG 106 N 6.99 0.00 0.00 1.20 2.47 -1.90 -0.51 114.38 122.62 1jiq h ARG 106 Ca 0.49 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 59.21 1jiq h ARG 106 Cb 0.76 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.08 1jiq h ARG 106 CO 1.66 0.02 0.00 0.66 0.56 0.00 0.00 179.97 182.87 1jiq h SER 107 N 0.00 0.00 -0.64 7.04 4.64 -2.00 -3.46 113.55 119.12 1jiq h SER 107 Ca -0.00 0.00 -0.28 0.00 -0.47 0.00 0.00 61.79 61.04 1jiq h SER 107 Cb 0.07 0.00 -0.11 0.00 -0.31 0.00 0.00 62.40 62.05 1jiq h SER 107 CO 0.00 0.00 -0.25 0.59 -0.87 0.00 0.00 176.83 176.30 1jiq n ASN 108 N -2.77 -5.15 -4.74 4.97 5.03 -0.20 -4.95 115.26 107.45 1jiq n ASN 108 Ca 0.03 0.33 -0.42 0.00 0.87 0.00 0.00 54.58 55.39 1jiq n ASN 108 Cb 0.36 -3.84 -0.02 0.00 -1.02 0.00 0.00 39.78 35.27 1jiq n ASN 108 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.26 175.84 1jiq n THR 109 N -2.43 0.82 -1.70 3.41 -1.04 -1.26 -4.89 114.28 107.19 1jiq n THR 109 Ca -0.13 -0.20 -0.43 0.00 -2.04 0.00 0.00 64.05 61.24 1jiq n THR 109 Cb 0.53 -1.93 -0.02 0.00 -1.82 0.00 0.00 70.33 67.09 1jiq n THR 109 CO 0.00 0.00 0.00 -2.65 -0.64 0.00 0.00 175.07 171.78 1jiq n PRO 110 N 2.50 2.24 -3.89 -2.82 -0.02 -1.26 -4.92 135.00 126.83 1jiq n PRO 110 Ca 0.10 0.79 -0.28 0.00 -2.02 0.00 0.00 63.50 62.09 1jiq n PRO 110 Cb 0.36 -2.47 -0.16 0.00 -0.02 0.00 0.00 33.50 31.21 1jiq n PRO 110 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 1jiq s ILE 111 N -0.31 1.13 -0.14 4.25 1.01 -1.26 -5.04 121.20 120.84 1jiq s ILE 111 Ca 0.64 -0.64 -0.08 0.00 0.00 0.00 0.00 60.65 60.56 1jiq s ILE 111 Cb -0.59 -1.30 -0.04 0.00 0.01 0.00 0.00 42.46 40.54 1jiq s ILE 111 CO 0.53 0.13 0.15 -0.76 0.00 0.00 0.00 174.94 174.99 1jiq s LEU 112 N 1.62 4.33 -0.10 2.97 1.43 -1.26 -1.18 118.68 126.50 1jiq s LEU 112 Ca 0.01 0.41 0.02 0.00 -1.03 0.00 0.00 54.13 53.54 1jiq s LEU 112 Cb -0.15 -2.10 0.01 0.00 0.03 0.00 0.00 46.19 43.98 1jiq s LEU 112 CO -0.08 0.33 -0.14 0.68 0.23 0.00 0.00 176.35 177.37 1jiq s VAL 113 N -0.55 1.40 -1.45 -1.59 -7.23 -0.66 -4.34 120.40 105.97 1jiq s VAL 113 Ca 0.13 -0.59 -0.08 0.00 -1.81 0.00 0.00 61.98 59.63 1jiq s VAL 113 Cb -0.12 -1.28 0.02 0.00 0.56 0.00 0.00 36.38 35.57 1jiq s VAL 113 CO 0.02 0.42 0.93 0.47 -0.31 0.00 0.00 175.10 176.63 1jiq n ASP 114 N 4.12 -5.94 0.00 4.85 10.43 -1.26 -2.06 116.55 126.68 1jiq n ASP 114 Ca -0.20 -0.48 0.00 0.00 2.57 0.00 0.00 54.79 56.68 1jiq n ASP 114 Cb 0.51 -4.73 0.00 0.00 1.84 0.00 0.00 41.12 38.74 1jiq n ASP 114 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 1jiq n GLY 115 N -1.76 1.04 3.40 0.44 0.00 -1.26 -5.00 105.19 102.05 1jiq n GLY 115 Ca -0.03 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.66 1jiq n GLY 115 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1jiq s LYS 116 N -0.16 3.32 0.13 1.61 2.20 -0.88 -4.98 119.74 120.99 1jiq s LYS 116 Ca 0.00 -0.66 -0.31 0.00 -0.36 0.00 0.00 55.97 54.64 1jiq s LYS 116 Cb 0.00 -2.64 -0.09 0.00 -1.51 0.00 0.00 37.83 33.59 1jiq s LYS 116 CO 0.00 0.27 1.59 0.34 -0.36 0.00 0.00 175.35 177.19 1jiq s ASP 117 N 0.21 6.60 0.23 1.43 2.15 -1.26 -1.65 116.67 124.38 1jiq s ASP 117 Ca -0.07 2.56 0.24 0.00 0.43 0.00 0.00 52.55 55.70 1jiq s ASP 117 Cb -0.15 -2.58 0.29 0.00 -0.30 0.00 0.00 42.92 40.17 1jiq s ASP 117 CO 0.05 -0.84 1.35 -0.37 -0.17 0.00 0.00 175.17 175.19 1jiq h VAL 118 N 4.29 0.00 -0.81 1.11 -1.51 -1.52 -3.39 116.25 114.42 1jiq h VAL 118 Ca -0.43 -0.77 0.05 0.00 -1.23 0.00 0.00 66.70 64.32 1jiq h VAL 118 Cb 1.20 1.47 -0.05 0.00 -2.13 0.00 0.00 31.29 31.79 1jiq h VAL 118 CO 0.92 0.00 0.53 0.24 -1.23 0.00 0.00 177.57 178.03 1jiq h MET 119 N 0.00 0.91 -1.00 5.19 2.86 -1.92 -1.85 114.93 119.13 1jiq h MET 119 Ca 0.00 -0.05 0.02 0.00 -2.06 0.00 0.00 59.70 57.61 1jiq h MET 119 Cb 0.89 -0.21 -0.05 0.00 0.06 0.00 0.00 31.60 32.29 1jiq h MET 119 CO 0.00 0.60 0.66 -1.35 1.06 0.00 0.00 176.91 177.88 1jiq h PRO 120 N 0.94 1.27 -0.21 -0.22 0.11 -1.98 0.48 132.00 132.39 1jiq h PRO 120 Ca 0.34 -0.08 -0.20 0.00 0.11 0.00 0.00 66.00 66.17 1jiq h PRO 120 Cb 0.14 -0.29 0.01 0.00 0.11 0.00 0.00 31.00 30.97 1jiq h PRO 120 CO -0.11 0.84 -0.66 1.49 -0.21 0.00 0.00 178.00 179.35 1jiq h GLU 121 N 1.31 0.81 -0.16 1.05 4.57 -1.67 -0.91 114.58 119.59 1jiq h GLU 121 Ca 0.38 -0.60 0.04 0.00 -1.18 0.00 0.00 59.36 58.00 1jiq h GLU 121 Cb -0.08 0.10 -0.04 0.00 -0.16 0.00 0.00 28.75 28.58 1jiq h GLU 121 CO -0.10 1.22 -0.08 0.28 -1.18 0.00 0.00 179.01 179.14 1jiq h VAL 122 N 0.56 0.74 -0.07 0.32 2.07 -1.12 -2.03 116.25 116.73 1jiq h VAL 122 Ca -0.02 0.00 -0.10 0.00 0.82 0.00 0.00 66.70 67.40 1jiq h VAL 122 Cb 1.28 0.74 -0.01 0.00 -1.52 0.00 0.00 31.29 31.78 1jiq h VAL 122 CO 0.14 0.00 -0.41 0.78 0.02 0.00 0.00 177.57 178.10 1jiq h ASN 123 N -0.06 0.16 -0.33 0.57 2.35 -0.89 -1.66 115.58 115.72 1jiq h ASN 123 Ca 0.09 -0.07 -0.02 0.00 -0.55 0.00 0.00 56.30 55.76 1jiq h ASN 123 Cb 0.20 -0.04 -0.01 0.00 0.05 0.00 0.00 38.32 38.51 1jiq h ASN 123 CO -0.20 0.56 0.13 0.50 -1.65 0.00 0.00 177.43 176.76 1jiq h LYS 124 N 0.13 0.49 -0.43 0.81 3.64 -0.84 -0.37 116.57 119.99 1jiq h LYS 124 Ca 0.01 -0.09 -0.12 0.00 -1.27 0.00 0.00 60.65 59.18 1jiq h LYS 124 Cb 0.79 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 32.52 1jiq h LYS 124 CO 0.06 0.49 -0.20 0.28 -2.27 0.00 0.00 179.45 177.81 1jiq h VAL 125 N 0.38 1.27 -0.88 2.00 2.07 -1.19 -2.31 116.25 117.59 1jiq h VAL 125 Ca 0.11 -1.35 0.03 0.00 0.82 0.00 0.00 66.70 66.31 1jiq h VAL 125 Cb 0.19 1.22 -0.05 0.00 -1.52 0.00 0.00 31.29 31.13 1jiq h VAL 125 CO -0.01 0.46 0.58 -0.07 0.02 0.00 0.00 177.57 178.54 1jiq h LEU 126 N 0.73 0.97 -0.83 2.57 3.38 -1.10 0.50 115.31 121.53 1jiq h LEU 126 Ca 0.10 -0.01 -0.03 0.00 0.09 0.00 0.00 57.88 58.02 1jiq h LEU 126 Cb 0.77 -0.23 -0.04 0.00 0.09 0.00 0.00 40.66 41.25 1jiq h LEU 126 CO 0.06 0.68 0.38 0.44 0.09 0.00 0.00 178.44 180.09 1jiq h ASP 127 N 1.14 1.10 -0.42 -0.43 3.32 -0.86 0.12 116.42 120.38 1jiq h ASP 127 Ca 0.34 -0.14 -0.06 0.00 0.02 0.00 0.00 57.03 57.19 1jiq h ASP 127 Cb -0.04 -0.28 -0.02 0.00 0.22 0.00 0.00 39.33 39.21 1jiq h ASP 127 CO -0.10 0.94 0.03 0.50 -1.72 0.00 0.00 179.24 178.88 1jiq h LYS 128 N 1.19 0.72 -0.44 3.56 3.64 -0.82 -0.95 116.57 123.46 1jiq h LYS 128 Ca 0.28 -0.21 0.01 0.00 -1.27 0.00 0.00 60.65 59.46 1jiq h LYS 128 Cb 0.14 -0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 31.86 1jiq h LYS 128 CO -0.03 0.78 0.28 0.52 -2.27 0.00 0.00 179.45 178.73 1jiq h MET 129 N 0.56 0.56 -0.55 1.90 2.86 -0.44 0.13 114.93 119.95 1jiq h MET 129 Ca 0.12 -0.03 0.04 0.00 -2.06 0.00 0.00 59.70 57.77 1jiq h MET 129 Cb 0.44 -0.13 -0.04 0.00 0.06 0.00 0.00 31.60 31.93 1jiq h MET 129 CO 0.02 0.37 0.30 -0.22 1.06 0.00 0.00 176.91 178.43 1jiq h LYS 130 N 0.58 0.56 -0.37 1.72 3.64 -0.47 0.77 116.57 123.00 1jiq h LYS 130 Ca 0.17 -0.03 -0.04 0.00 -1.27 0.00 0.00 60.65 59.47 1jiq h LYS 130 Cb -0.04 -0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 31.64 1jiq h LYS 130 CO -0.05 0.37 0.07 1.03 -2.27 0.00 0.00 179.45 178.60 1jiq h SER 131 N 0.58 0.58 -0.57 4.20 0.87 -0.79 -2.03 113.55 116.40 1jiq h SER 131 Ca 0.23 -0.25 -0.01 0.00 -1.23 0.00 0.00 61.79 60.53 1jiq h SER 131 Cb 0.10 -0.15 -0.03 0.00 -0.44 0.00 0.00 62.40 61.88 1jiq h SER 131 CO -0.14 0.69 0.30 0.15 -0.53 0.00 0.00 176.83 177.30 1jiq h PHE 132 N 0.46 0.79 -0.77 2.24 3.57 -0.63 -1.88 116.94 120.71 1jiq h PHE 132 Ca 0.11 -0.02 -0.05 0.00 3.53 0.00 0.00 57.97 61.54 1jiq h PHE 132 Cb 0.35 -0.25 -0.03 0.00 2.79 0.00 0.00 35.95 38.80 1jiq h PHE 132 CO 0.02 0.58 0.28 0.00 -2.23 0.00 0.00 178.31 176.96 1jiq h GLN 134 N 1.14 0.73 -0.66 0.00 -0.00 -1.14 -0.73 115.11 114.45 1jiq h GLN 134 Ca 0.25 -0.09 -0.04 0.00 -0.00 0.00 0.00 58.65 58.77 1jiq h GLN 134 Cb 0.26 -0.14 -0.03 0.00 0.00 0.00 0.00 27.48 27.57 1jiq h GLN 134 CO -0.01 0.58 0.24 0.00 0.00 0.00 0.00 178.83 179.63 1jiq h ARG 135 N 0.69 1.00 0.01 1.69 3.08 -1.01 -1.54 114.38 118.30 1jiq h ARG 135 Ca 0.18 -0.20 -0.15 0.00 0.07 0.00 0.00 59.98 59.88 1jiq h ARG 135 Cb 0.07 -0.15 0.01 0.00 0.08 0.00 0.00 29.97 29.97 1jiq h ARG 135 CO -0.03 0.86 -0.60 0.28 -1.07 0.00 0.00 179.97 179.41 1jiq h VAL 136 N 0.94 1.44 -0.44 2.04 2.07 -1.17 -0.98 116.25 120.16 1jiq h VAL 136 Ca 0.22 -2.10 -0.13 0.00 0.82 0.00 0.00 66.70 65.51 1jiq h VAL 136 Cb 0.25 2.63 -0.01 0.00 -1.52 0.00 0.00 31.29 32.64 1jiq h VAL 136 CO -0.01 0.61 -0.24 0.03 0.02 0.00 0.00 177.57 177.98 1jiq h ARG 137 N -0.13 0.90 0.00 1.57 3.08 -1.17 -2.46 114.38 116.17 1jiq h ARG 137 Ca -0.08 -0.39 -0.04 0.00 0.07 0.00 0.00 59.98 59.55 1jiq h ARG 137 Cb 1.32 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 31.34 1jiq h ARG 137 CO 0.12 1.04 -0.18 0.66 -1.07 0.00 0.00 179.97 180.53 1jiq h SER 138 N 0.78 0.00 0.00 7.04 4.64 -1.35 -3.47 113.55 121.18 1jiq h SER 138 Ca 0.10 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.42 1jiq h SER 138 Cb 0.80 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.89 1jiq h SER 138 CO 0.07 0.18 0.00 0.61 -0.87 0.00 0.00 176.83 176.82 1jiq n GLY 139 N -0.32 0.78 0.24 -0.77 0.00 -0.93 -4.95 105.19 99.24 1jiq n GLY 139 Ca -0.01 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.13 1jiq n GLY 139 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1jiq h ASP 140 N 0.00 0.00 -3.28 1.61 3.32 -1.48 -3.41 116.42 113.18 1jiq h ASP 140 Ca 0.00 0.00 -0.59 0.00 0.02 0.00 0.00 57.03 56.46 1jiq h ASP 140 Cb 0.00 0.00 -0.09 0.00 0.22 0.00 0.00 39.33 39.46 1jiq h ASP 140 CO 0.00 0.16 0.47 0.86 -1.72 0.00 0.00 179.24 179.01 1jiq s TRP 141 N -3.69 3.32 0.09 4.55 -0.11 -0.54 -5.00 118.94 117.56 1jiq s TRP 141 Ca 0.00 1.15 0.05 0.00 1.22 0.00 0.00 56.10 58.52 1jiq s TRP 141 Cb 0.10 -3.05 -0.04 0.00 -1.50 0.00 0.00 33.47 28.98 1jiq s TRP 141 CO 0.61 -0.39 -0.01 0.15 -4.62 0.00 0.00 176.95 172.70 1jiq s LYS 142 N 2.79 2.52 1.00 5.86 -0.14 -1.26 -4.17 119.74 126.34 1jiq s LYS 142 Ca 0.35 -0.85 -0.17 0.00 -1.36 0.00 0.00 55.97 53.94 1jiq s LYS 142 Cb -0.15 -2.52 0.23 0.00 -1.68 0.00 0.00 37.83 33.70 1jiq s LYS 142 CO 0.08 0.54 1.35 0.41 -0.76 0.00 0.00 175.35 176.96 1jiq n GLY 143 N 0.56 -1.54 0.19 -3.33 0.00 0.47 -4.88 105.19 96.65 1jiq n GLY 143 Ca -0.11 -1.71 0.13 0.00 0.00 0.00 0.00 46.02 44.34 1jiq n GLY 143 CO 0.00 0.00 0.00 0.10 0.00 0.00 0.00 173.32 173.42 1jiq h TYR 144 N -1.80 0.00 -0.36 1.61 -0.00 -1.89 -0.74 116.97 113.80 1jiq h TYR 144 Ca -0.44 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.29 1jiq h TYR 144 Cb 1.20 0.00 0.00 0.00 0.00 0.00 0.00 36.73 37.93 1jiq h TYR 144 CO 0.00 0.00 0.00 0.25 -0.00 0.00 0.00 178.16 178.41 1jiq n THR 145 N -2.44 1.07 -0.68 -0.90 -2.24 -1.26 -4.98 114.28 102.86 1jiq n THR 145 Ca -0.00 -1.05 0.00 0.00 -2.27 0.00 0.00 64.05 60.73 1jiq n THR 145 Cb 0.12 0.46 0.00 0.00 -2.10 0.00 0.00 70.33 68.81 1jiq n THR 145 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1jiq n GLY 146 N 0.51 0.65 3.93 3.38 0.00 -0.28 -5.06 105.19 108.32 1jiq n GLY 146 Ca 0.13 -0.07 -0.25 0.00 0.00 0.00 0.00 46.02 45.83 1jiq n GLY 146 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1jiq s LYS 147 N -0.42 3.26 0.61 1.61 1.02 -1.26 -4.71 119.74 119.86 1jiq s LYS 147 Ca 0.00 -0.17 -0.12 0.00 0.02 0.00 0.00 55.97 55.70 1jiq s LYS 147 Cb 0.00 -2.48 -0.04 0.00 -0.52 0.00 0.00 37.83 34.79 1jiq s LYS 147 CO 0.00 -0.24 1.03 0.95 -0.92 0.00 0.00 175.35 176.17 1jiq s THR 148 N -2.64 4.56 0.01 2.17 -4.23 -1.26 -0.40 115.64 113.86 1jiq s THR 148 Ca 0.47 0.91 -0.30 0.00 -1.18 0.00 0.00 61.69 61.59 1jiq s THR 148 Cb -0.10 -3.77 -0.04 0.00 1.34 0.00 0.00 72.50 69.93 1jiq s THR 148 CO 0.41 -1.01 1.11 -0.63 -0.54 0.00 0.00 174.62 173.96 1jiq s ILE 149 N -3.04 4.41 -0.03 2.99 -1.09 -1.26 -4.66 121.20 118.51 1jiq s ILE 149 Ca 0.56 1.73 0.10 0.00 -2.23 0.00 0.00 60.65 60.81 1jiq s ILE 149 Cb -0.11 -4.11 -0.15 0.00 -1.58 0.00 0.00 42.46 36.51 1jiq s ILE 149 CO 0.49 0.11 0.17 0.35 -1.23 0.00 0.00 174.94 174.83 1jiq n THR 150 N 4.05 0.17 -4.14 2.92 -2.24 -0.07 -4.75 114.28 110.20 1jiq n THR 150 Ca 0.08 -0.27 -0.20 0.00 -2.27 0.00 0.00 64.05 61.39 1jiq n THR 150 Cb 0.48 0.01 -0.16 0.00 -2.10 0.00 0.00 70.33 68.55 1jiq n THR 150 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1jiq s ASP 151 N -3.41 0.89 -0.15 3.42 1.11 -0.90 -1.00 116.67 116.63 1jiq s ASP 151 Ca -0.04 -0.12 0.00 0.00 0.18 0.00 0.00 52.55 52.57 1jiq s ASP 151 Cb 0.05 -0.43 -0.00 0.00 1.07 0.00 0.00 42.92 43.62 1jiq s ASP 151 CO 0.41 -0.06 -0.15 -0.69 1.18 0.00 0.00 175.17 175.86 1jiq s VAL 152 N 0.92 2.72 -0.25 -1.27 1.01 0.34 -0.74 120.40 123.12 1jiq s VAL 152 Ca -0.11 -0.75 0.01 0.00 0.00 0.00 0.00 61.98 61.12 1jiq s VAL 152 Cb -0.14 -2.15 0.04 0.00 0.00 0.00 0.00 36.38 34.13 1jiq s VAL 152 CO -0.00 0.51 -0.10 -0.63 0.00 0.00 0.00 175.10 174.89 1jiq s ILE 153 N 0.78 2.45 -0.11 2.22 1.09 0.12 -0.59 121.20 127.16 1jiq s ILE 153 Ca -0.06 -1.32 -0.22 0.00 -1.10 0.00 0.00 60.65 57.95 1jiq s ILE 153 Cb -0.15 -2.31 -0.03 0.00 -1.06 0.00 0.00 42.46 38.90 1jiq s ILE 153 CO 0.01 0.12 0.66 0.21 -0.10 0.00 0.00 174.94 175.84 1jiq s ASN 154 N 1.21 6.88 -0.21 3.58 2.47 -0.05 -0.39 114.94 128.44 1jiq s ASN 154 Ca -0.04 1.07 0.02 0.00 0.42 0.00 0.00 52.86 54.33 1jiq s ASN 154 Cb -0.18 -2.38 0.04 0.00 -1.45 0.00 0.00 41.25 37.28 1jiq s ASN 154 CO -0.06 -0.15 -0.15 -0.63 -3.72 0.00 0.00 177.10 172.39 1jiq s ILE 155 N 1.09 2.01 -0.06 -5.21 1.01 0.10 -1.02 121.20 119.12 1jiq s ILE 155 Ca 0.34 -1.19 -0.31 0.00 0.00 0.00 0.00 60.65 59.49 1jiq s ILE 155 Cb -0.17 -1.97 0.12 0.00 0.01 0.00 0.00 42.46 40.45 1jiq s ILE 155 CO 0.15 0.27 1.18 -0.83 0.00 0.00 0.00 174.94 175.71 1jiq s GLY 156 N 1.25 -0.35 0.28 6.18 0.00 -1.00 -0.34 107.32 113.34 1jiq s GLY 156 Ca -0.01 1.00 0.11 0.00 0.00 0.00 0.00 44.72 45.82 1jiq s GLY 156 CO -0.09 0.28 -0.18 -0.26 0.00 0.00 0.00 173.10 172.85 1jiq s ILE 157 N -2.58 2.36 0.00 0.90 -4.36 -1.26 -4.01 121.20 112.25 1jiq s ILE 157 Ca 0.11 -2.36 0.00 0.00 -0.26 0.00 0.00 60.65 58.15 1jiq s ILE 157 Cb 0.01 -2.34 0.00 0.00 1.25 0.00 0.00 42.46 41.39 1jiq s ILE 157 CO -0.04 -0.38 0.00 0.61 0.24 0.00 0.00 174.94 175.37 1jiq n GLY 158 N -0.63 3.82 0.05 6.27 0.00 -1.26 -0.92 105.19 112.52 1jiq n GLY 158 Ca -0.05 0.04 0.08 0.00 0.00 0.00 0.00 46.02 46.09 1jiq n GLY 158 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1jiq n GLY 159 N 0.00 -1.00 0.26 -0.02 0.00 -1.26 -1.51 105.19 101.67 1jiq n GLY 159 Ca 0.00 0.01 0.14 0.00 0.00 0.00 0.00 46.02 46.17 1jiq n GLY 159 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1jiq n SER 160 N -1.75 0.91 0.02 1.61 7.64 -0.10 -4.43 113.62 117.52 1jiq n SER 160 Ca 0.02 -1.04 0.00 0.00 1.01 0.00 0.00 58.87 58.86 1jiq n SER 160 Cb 0.15 0.01 0.00 0.00 -1.01 0.00 0.00 64.21 63.36 1jiq n SER 160 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 1jiq n ASP 161 N -0.48 0.41 -0.25 6.43 2.03 -0.57 -4.55 116.55 119.58 1jiq n ASP 161 Ca 0.17 0.07 -0.06 0.00 0.52 0.00 0.00 54.79 55.50 1jiq n ASP 161 Cb 0.30 -0.11 0.05 0.00 -0.72 0.00 0.00 41.12 40.64 1jiq n ASP 161 CO 0.00 0.00 0.00 -0.07 -1.92 0.00 0.00 177.20 175.21 1jiq h LEU 162 N 0.00 0.83 0.54 -2.67 4.07 -1.51 -1.56 115.31 115.00 1jiq h LEU 162 Ca 0.00 -0.06 -0.03 0.00 0.08 0.00 0.00 57.88 57.87 1jiq h LEU 162 Cb 0.53 -0.21 0.01 0.00 1.08 0.00 0.00 40.66 42.07 1jiq h LEU 162 CO 0.00 0.64 -0.26 1.23 -1.08 0.00 0.00 178.44 178.97 1jiq h GLY 163 N 0.94 -0.75 0.47 0.83 0.00 -1.83 0.01 103.07 102.74 1jiq h GLY 163 Ca 0.25 0.28 0.10 0.00 0.00 0.00 0.00 47.33 47.96 1jiq h GLY 163 CO -0.05 -0.27 0.44 -2.55 0.00 0.00 0.00 176.54 174.11 1jiq h PRO 164 N -0.96 0.71 0.28 4.80 0.11 -1.86 -0.15 132.00 134.92 1jiq h PRO 164 Ca -0.07 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 65.98 1jiq h PRO 164 Cb 0.63 -0.16 0.00 0.00 0.11 0.00 0.00 31.00 31.58 1jiq h PRO 164 CO 0.12 0.47 -0.13 1.25 -0.21 0.00 0.00 178.00 179.49 1jiq h LEU 165 N 0.73 -0.32 -0.80 2.35 6.46 -1.26 -1.11 115.31 121.35 1jiq h LEU 165 Ca 0.40 -0.10 0.06 0.00 -0.12 0.00 0.00 57.88 58.12 1jiq h LEU 165 Cb 0.41 0.08 -0.06 0.00 -0.73 0.00 0.00 40.66 40.36 1jiq h LEU 165 CO -0.27 -0.09 0.49 -0.03 -0.62 0.00 0.00 178.44 177.92 1jiq h MET 166 N -0.53 0.87 -0.12 1.25 4.05 -0.59 -0.89 114.93 118.97 1jiq h MET 166 Ca -0.04 -0.05 -0.15 0.00 -0.28 0.00 0.00 59.70 59.18 1jiq h MET 166 Cb 0.39 -0.20 0.01 0.00 -0.80 0.00 0.00 31.60 31.00 1jiq h MET 166 CO 0.06 0.58 -0.49 0.28 0.23 0.00 0.00 176.91 177.57 1jiq h VAL 167 N 0.90 1.36 -0.24 -5.77 2.07 -0.99 -0.97 116.25 112.60 1jiq h VAL 167 Ca 0.35 -1.80 -0.08 0.00 0.82 0.00 0.00 66.70 65.99 1jiq h VAL 167 Cb 0.16 2.13 -0.01 0.00 -1.52 0.00 0.00 31.29 32.05 1jiq h VAL 167 CO -0.17 0.54 -0.20 0.71 0.02 0.00 0.00 177.57 178.48 1jiq h THR 168 N 0.16 1.24 -0.52 2.57 1.35 -1.07 0.80 112.91 117.45 1jiq h THR 168 Ca -0.03 -1.13 -0.03 0.00 -0.55 0.00 0.00 66.41 64.67 1jiq h THR 168 Cb 1.13 1.28 -0.02 0.00 -1.73 0.00 0.00 68.15 68.81 1jiq h THR 168 CO 0.10 0.36 0.20 -0.33 -0.25 0.00 0.00 175.52 175.60 1jiq h GLU 169 N 0.39 0.78 -0.09 4.72 4.39 -1.10 -2.73 114.58 120.95 1jiq h GLU 169 Ca 0.07 -0.15 -0.12 0.00 0.34 0.00 0.00 59.36 59.50 1jiq h GLU 169 Cb 0.57 -0.12 -0.01 0.00 -0.10 0.00 0.00 28.75 29.09 1jiq h GLU 169 CO 0.04 0.69 -0.49 0.00 -1.16 0.00 0.00 179.01 178.09 1jiq h ALA 170 N 1.05 1.01 -0.58 3.43 0.00 -0.70 -3.15 119.26 120.33 1jiq h ALA 170 Ca 0.17 -0.47 -0.20 0.00 0.00 0.00 0.00 54.91 54.42 1jiq h ALA 170 Cb 0.21 -0.09 -0.12 0.00 0.00 0.00 0.00 17.79 17.80 1jiq h ALA 170 CO -0.01 0.65 0.18 1.28 0.00 0.00 0.00 179.25 181.34 1jiq n LEU 171 N -3.96 5.26 -0.30 0.00 4.77 0.23 -4.72 117.00 118.27 1jiq n LEU 171 Ca -0.02 -3.35 0.12 0.00 -0.03 0.00 0.00 56.01 52.74 1jiq n LEU 171 Cb 0.53 -0.69 0.30 0.00 -2.33 0.00 0.00 43.42 41.23 1jiq n LEU 171 CO 0.43 0.91 1.06 0.50 -1.33 0.00 0.00 177.39 178.95 1jiq h LYS 172 N 1.93 0.42 0.00 3.23 1.63 -1.44 0.10 116.57 122.44 1jiq h LYS 172 Ca 0.24 -0.03 0.00 0.00 -0.85 0.00 0.00 60.65 60.02 1jiq h LYS 172 Cb 2.06 -0.10 0.00 0.00 -0.60 0.00 0.00 32.23 33.59 1jiq h LYS 172 CO 0.59 0.28 0.05 -1.35 -3.45 0.00 0.00 179.45 175.57 1jiq h PRO 173 N 0.43 0.00 -0.59 1.90 0.11 -1.89 -2.22 132.00 129.75 1jiq h PRO 173 Ca 0.55 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.66 1jiq h PRO 173 Cb 1.01 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.12 1jiq h PRO 173 CO -0.50 0.00 0.00 0.66 -0.21 0.00 0.00 178.00 177.95 1jiq n TYR 174 N -2.88 0.96 -0.59 0.65 4.02 0.35 -4.37 117.16 115.30 1jiq n TYR 174 Ca -0.03 -0.41 0.09 0.00 -0.01 0.00 0.00 57.90 57.54 1jiq n TYR 174 Cb 0.11 -0.13 0.29 0.00 -0.02 0.00 0.00 39.34 39.59 1jiq n TYR 174 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 176.86 174.72 1jiq n SER 175 N 0.86 4.18 -4.69 7.72 3.41 -0.84 -4.45 113.62 119.81 1jiq n SER 175 Ca 0.18 -2.44 -0.44 0.00 -0.26 0.00 0.00 58.87 55.91 1jiq n SER 175 Cb 0.60 -0.49 -0.04 0.00 -0.26 0.00 0.00 64.21 64.02 1jiq n SER 175 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 1jiq n SER 176 N 0.71 3.57 0.00 4.04 2.88 -1.26 -0.75 113.62 122.81 1jiq n SER 176 Ca 0.22 1.06 0.00 0.00 -1.33 0.00 0.00 58.87 58.82 1jiq n SER 176 Cb 0.78 -1.50 0.00 0.00 -0.75 0.00 0.00 64.21 62.74 1jiq n SER 176 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1jiq n GLY 177 N 3.77 2.62 3.90 0.46 0.00 -1.26 -5.02 105.19 109.66 1jiq n GLY 177 Ca 0.17 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.91 1jiq n GLY 177 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1jiq s GLY 178 N -1.83 1.61 0.62 -0.02 0.00 0.07 -4.99 107.32 102.79 1jiq s GLY 178 Ca 0.00 -0.52 -0.14 0.00 0.00 0.00 0.00 44.72 44.06 1jiq s GLY 178 CO 0.00 -0.21 1.05 2.56 0.00 0.00 0.00 173.10 176.50 1jiq s PRO 179 N -5.12 3.25 0.55 2.90 0.04 -1.26 -5.01 135.00 130.35 1jiq s PRO 179 Ca 0.55 1.10 -0.21 0.00 0.04 0.00 0.00 61.00 62.48 1jiq s PRO 179 Cb -0.11 -2.03 -0.05 0.00 0.04 0.00 0.00 34.50 32.36 1jiq s PRO 179 CO 0.48 -0.86 1.30 1.03 0.04 0.00 0.00 177.00 178.99 1jiq s ARG 180 N -4.39 3.16 0.03 4.56 0.52 -0.17 -4.67 118.95 117.98 1jiq s ARG 180 Ca 0.61 2.08 0.08 0.00 -0.52 0.00 0.00 55.73 57.98 1jiq s ARG 180 Cb -0.15 -2.19 -0.03 0.00 0.52 0.00 0.00 34.95 33.10 1jiq s ARG 180 CO 0.42 -1.13 -0.23 0.14 0.02 0.00 0.00 175.30 174.53 1jiq s VAL 181 N -1.40 2.41 0.05 3.52 -7.23 -1.26 -0.51 120.40 115.98 1jiq s VAL 181 Ca 0.72 -1.22 0.05 0.00 -1.81 0.00 0.00 61.98 59.72 1jiq s VAL 181 Cb -0.37 -1.95 -0.02 0.00 0.56 0.00 0.00 36.38 34.60 1jiq s VAL 181 CO 0.42 0.41 -0.14 0.26 -0.31 0.00 0.00 175.10 175.75 1jiq s TRP 182 N -0.80 1.18 -0.11 2.82 0.52 0.24 -4.95 118.94 117.84 1jiq s TRP 182 Ca 0.12 -0.38 0.02 0.00 0.02 0.00 0.00 56.10 55.89 1jiq s TRP 182 Cb -0.10 -0.69 0.01 0.00 -1.15 0.00 0.00 33.47 31.54 1jiq s TRP 182 CO 0.02 0.03 -0.18 0.71 0.02 0.00 0.00 176.95 177.56 1jiq s TYR 183 N -0.97 2.16 -0.17 -1.98 1.51 -1.26 -0.87 117.35 115.78 1jiq s TYR 183 Ca 0.00 -0.99 0.01 0.00 -1.01 0.00 0.00 57.07 55.08 1jiq s TYR 183 Cb -0.08 -1.51 0.02 0.00 -0.11 0.00 0.00 41.96 40.28 1jiq s TYR 183 CO 0.01 -0.47 -0.17 0.08 -1.11 0.00 0.00 175.55 173.90 1jiq s VAL 184 N 0.79 1.84 0.00 0.71 1.01 -0.19 -4.98 120.40 119.58 1jiq s VAL 184 Ca -0.10 -0.84 0.00 0.00 0.00 0.00 0.00 61.98 61.04 1jiq s VAL 184 Cb -0.16 -1.71 0.00 0.00 0.00 0.00 0.00 36.38 34.51 1jiq s VAL 184 CO 0.01 0.47 0.00 -1.54 0.00 0.00 0.00 175.10 174.04 1jiq n SER 185 N 4.68 1.33 -4.76 3.32 3.41 -1.26 -2.37 113.62 117.98 1jiq n SER 185 Ca -0.19 0.00 -0.41 0.00 -0.26 0.00 0.00 58.87 58.01 1jiq n SER 185 Cb 0.50 0.00 -0.02 0.00 -0.26 0.00 0.00 64.21 64.42 1jiq n SER 185 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 175.04 175.09 1jiq s ASN 186 N -3.70 6.73 0.49 4.04 3.04 -1.26 -4.67 114.94 119.61 1jiq s ASN 186 Ca 0.00 2.65 0.26 0.00 0.04 0.00 0.00 52.86 55.81 1jiq s ASN 186 Cb 0.00 -2.63 1.27 0.00 -1.54 0.00 0.00 41.25 38.34 1jiq s ASN 186 CO 0.00 -0.61 1.99 -0.29 -3.04 0.00 0.00 177.10 175.15 1jiq h ILE 187 N 3.33 0.60 -1.29 -5.21 6.09 -1.98 -3.43 117.51 115.61 1jiq h ILE 187 Ca -0.47 -0.74 -0.70 0.00 -1.37 0.00 0.00 64.86 61.57 1jiq h ILE 187 Cb 1.22 1.48 -0.00 0.00 0.47 0.00 0.00 36.82 39.99 1jiq h ILE 187 CO 0.72 0.16 1.16 -0.67 -3.07 0.00 0.00 178.15 176.45 1jiq n ASP 188 N -3.59 2.27 0.23 2.19 4.64 -1.26 -4.78 116.55 116.25 1jiq n ASP 188 Ca -0.01 0.77 0.18 0.00 -1.38 0.00 0.00 54.79 54.35 1jiq n ASP 188 Cb 0.30 -1.19 0.86 0.00 -1.04 0.00 0.00 41.12 40.05 1jiq n ASP 188 CO 0.00 0.00 0.00 1.23 -0.82 0.00 0.00 177.20 177.61 1jiq h GLY 189 N 9.61 0.00 0.25 0.27 0.00 -2.02 0.79 103.07 111.97 1jiq h GLY 189 Ca -0.36 0.00 0.18 0.00 0.00 0.00 0.00 47.33 47.15 1jiq h GLY 189 CO 0.99 0.00 0.61 -0.84 0.00 0.00 0.00 176.54 177.30 1jiq h THR 190 N 0.00 0.73 0.36 4.70 2.02 -1.93 -0.61 112.91 118.18 1jiq h THR 190 Ca 0.07 -0.24 -0.02 0.00 0.77 0.00 0.00 66.41 67.00 1jiq h THR 190 Cb 0.58 -0.01 0.00 0.00 -1.74 0.00 0.00 68.15 66.98 1jiq h THR 190 CO -0.00 0.13 -0.17 -0.74 0.37 0.00 0.00 175.52 175.10 1jiq h HIS 191 N 0.69 -0.45 -0.32 3.16 2.76 -1.12 -2.00 115.15 117.86 1jiq h HIS 191 Ca 0.53 -0.01 -0.14 0.00 -2.20 0.00 0.00 60.37 58.54 1jiq h HIS 191 Cb 0.92 0.15 -0.01 0.00 1.55 0.00 0.00 27.41 30.02 1jiq h HIS 191 CO -0.00 -0.15 -0.38 0.97 -1.30 0.00 0.00 177.93 177.06 1jiq h ILE 192 N -0.74 1.29 0.13 6.26 6.09 -1.71 -3.01 117.51 125.82 1jiq h ILE 192 Ca -0.05 -1.55 0.01 0.00 -1.37 0.00 0.00 64.86 61.90 1jiq h ILE 192 Cb 0.51 1.45 -0.02 0.00 0.47 0.00 0.00 36.82 39.23 1jiq h ILE 192 CO 0.08 0.50 -0.19 0.00 -3.07 0.00 0.00 178.15 175.48 1jiq h ALA 193 N 0.96 -0.33 0.00 0.18 0.00 -1.01 -0.10 119.26 118.96 1jiq h ALA 193 Ca 0.05 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.90 1jiq h ALA 193 Cb 0.93 0.28 -0.00 0.00 0.00 0.00 0.00 17.79 19.00 1jiq h ALA 193 CO 0.08 -0.72 -0.14 0.87 0.00 0.00 0.00 179.25 179.35 1jiq h LYS 194 N -0.37 0.00 0.18 0.00 1.79 -1.44 -2.32 116.57 114.41 1jiq h LYS 194 Ca 0.02 0.00 -0.01 0.00 -2.18 0.00 0.00 60.65 58.48 1jiq h LYS 194 Cb 0.38 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.03 1jiq h LYS 194 CO -0.09 0.14 -0.09 1.15 -1.08 0.00 0.00 179.45 179.49 1jiq h THR 195 N 0.00 0.75 -0.95 -0.16 2.02 -1.27 -3.30 112.91 110.00 1jiq h THR 195 Ca -0.00 -1.08 0.11 0.00 0.77 0.00 0.00 66.41 66.21 1jiq h THR 195 Cb 0.60 1.27 -0.08 0.00 -1.74 0.00 0.00 68.15 68.21 1jiq h THR 195 CO 0.02 0.20 0.61 -0.07 0.37 0.00 0.00 175.52 176.64 1jiq h LEU 196 N -0.89 0.85 -2.03 2.58 3.38 -0.95 -1.17 115.31 117.07 1jiq h LEU 196 Ca -0.02 0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.98 1jiq h LEU 196 Cb 0.51 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.12 1jiq h LEU 196 CO 0.04 0.47 0.22 0.00 0.09 0.00 0.00 178.44 179.26 1jiq h ALA 197 N 1.55 1.21 -0.21 1.53 0.00 -1.49 0.12 119.26 121.97 1jiq h ALA 197 Ca 0.46 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.37 1jiq h ALA 197 Cb 0.49 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.28 1jiq h ALA 197 CO -0.22 -0.21 0.00 1.04 0.00 0.00 0.00 179.25 179.86 1jiq n GLN 198 N -2.77 1.86 -4.23 0.00 6.02 -0.45 -5.01 117.38 112.80 1jiq n GLN 198 Ca -0.02 -1.79 -0.28 0.00 -0.01 0.00 0.00 57.00 54.90 1jiq n GLN 198 Cb 0.27 -1.35 -0.09 0.00 1.02 0.00 0.00 30.24 30.09 1jiq n GLN 198 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 1jiq s LEU 199 N -1.23 3.11 -0.30 1.08 1.43 0.42 -5.10 118.68 118.09 1jiq s LEU 199 Ca 0.25 -0.44 -0.07 0.00 -1.03 0.00 0.00 54.13 52.84 1jiq s LEU 199 Cb 0.15 -1.83 0.01 0.00 0.03 0.00 0.00 46.19 44.55 1jiq s LEU 199 CO 0.22 0.13 0.09 0.21 0.23 0.00 0.00 176.35 177.23 1jiq s ASN 200 N -2.60 5.20 0.31 2.29 3.84 -1.26 -4.98 114.94 117.73 1jiq s ASN 200 Ca 0.24 -0.67 0.23 0.00 0.21 0.00 0.00 52.86 52.88 1jiq s ASN 200 Cb -0.10 -1.90 1.13 0.00 -0.55 0.00 0.00 41.25 39.83 1jiq s ASN 200 CO 0.16 -0.19 1.70 -2.65 -2.79 0.00 0.00 177.10 173.33 1jiq n PRO 201 N 4.89 0.17 0.00 0.43 -0.02 -1.26 -1.17 135.00 138.03 1jiq n PRO 201 Ca -0.14 0.56 0.13 0.00 -2.02 0.00 0.00 63.50 62.03 1jiq n PRO 201 Cb 0.48 -1.94 0.50 0.00 -0.02 0.00 0.00 33.50 32.52 1jiq n PRO 201 CO 0.00 0.00 0.00 -0.85 1.98 0.00 0.00 175.50 176.63 1jiq n GLU 202 N -2.29 0.31 -0.71 -0.52 0.28 -1.26 -3.91 120.64 112.53 1jiq n GLU 202 Ca -0.00 -0.11 0.04 0.00 -0.16 0.00 0.00 57.16 56.93 1jiq n GLU 202 Cb 0.11 -1.50 0.08 0.00 1.43 0.00 0.00 31.44 31.56 1jiq n GLU 202 CO 0.00 0.00 0.00 -1.13 -0.16 0.00 0.00 177.13 175.84 1jiq n SER 203 N -1.25 1.13 -4.28 -1.84 3.41 -0.32 -4.45 113.62 106.03 1jiq n SER 203 Ca 0.10 -2.62 -0.33 0.00 -0.26 0.00 0.00 58.87 55.76 1jiq n SER 203 Cb 0.31 -0.34 -0.15 0.00 -0.26 0.00 0.00 64.21 63.77 1jiq n SER 203 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 1jiq s SER 204 N -2.14 3.61 -0.14 4.04 0.01 -1.05 -0.89 113.70 117.14 1jiq s SER 204 Ca 0.24 -0.45 0.01 0.00 1.31 0.00 0.00 55.95 57.06 1jiq s SER 204 Cb 0.25 -1.54 0.00 0.00 0.21 0.00 0.00 66.02 64.94 1jiq s SER 204 CO -0.06 0.13 -0.18 -0.22 0.41 0.00 0.00 173.24 173.32 1jiq s LEU 205 N 0.57 2.34 -0.13 2.44 2.96 0.08 -4.79 118.68 122.16 1jiq s LEU 205 Ca -0.10 -0.51 -0.05 0.00 -0.22 0.00 0.00 54.13 53.24 1jiq s LEU 205 Cb -0.16 -1.52 -0.04 0.00 0.50 0.00 0.00 46.19 44.97 1jiq s LEU 205 CO 0.04 0.09 0.07 -0.36 -1.32 0.00 0.00 176.35 174.87 1jiq s PHE 206 N 0.76 3.36 -0.27 5.38 0.40 0.43 -0.70 117.98 127.33 1jiq s PHE 206 Ca -0.07 0.30 -0.02 0.00 -0.60 0.00 0.00 56.93 56.55 1jiq s PHE 206 Cb -0.16 -1.93 0.04 0.00 0.51 0.00 0.00 43.02 41.49 1jiq s PHE 206 CO 0.00 0.50 -0.03 0.42 0.70 0.00 0.00 175.22 176.81 1jiq s ILE 207 N -0.61 2.92 -0.43 0.64 1.01 0.48 -1.61 121.20 123.59 1jiq s ILE 207 Ca 0.11 -1.21 -0.20 0.00 0.00 0.00 0.00 60.65 59.36 1jiq s ILE 207 Cb -0.12 -2.58 0.02 0.00 0.01 0.00 0.00 42.46 39.79 1jiq s ILE 207 CO 0.02 0.04 0.58 -0.63 0.00 0.00 0.00 174.94 174.96 1jiq s ILE 208 N 1.28 4.91 -0.55 2.92 -1.09 -0.45 -0.72 121.20 127.50 1jiq s ILE 208 Ca -0.03 -0.02 -0.16 0.00 -2.23 0.00 0.00 60.65 58.21 1jiq s ILE 208 Cb -0.18 -4.15 0.13 0.00 -1.58 0.00 0.00 42.46 36.67 1jiq s ILE 208 CO -0.03 -0.54 0.53 0.00 -1.23 0.00 0.00 174.94 173.67 1jiq s ALA 209 N 2.61 3.64 -0.30 9.38 0.00 0.53 -1.02 121.76 136.61 1jiq s ALA 209 Ca 0.19 -2.54 -0.07 0.00 0.00 0.00 0.00 51.96 49.55 1jiq s ALA 209 Cb -0.15 -3.30 0.16 0.00 0.00 0.00 0.00 23.12 19.83 1jiq s ALA 209 CO 0.17 -2.06 0.67 0.45 0.00 0.00 0.00 175.76 174.99 1jiq s SER 210 N 3.56 -1.18 0.13 0.00 0.15 -0.21 -4.52 113.70 111.62 1jiq s SER 210 Ca 0.04 1.19 -0.30 0.00 0.70 0.00 0.00 55.95 57.59 1jiq s SER 210 Cb -0.29 2.17 -0.06 0.00 -1.71 0.00 0.00 66.02 66.13 1jiq s SER 210 CO 0.03 -0.22 1.58 0.50 1.20 0.00 0.00 173.24 176.32 1jiq h LYS 211 N 7.97 -0.47 0.00 5.44 1.63 -1.95 -2.31 116.57 126.88 1jiq h LYS 211 Ca -0.20 0.03 0.00 0.00 -0.85 0.00 0.00 60.65 59.63 1jiq h LYS 211 Cb 1.13 0.11 0.00 0.00 -0.60 0.00 0.00 32.23 32.86 1jiq h LYS 211 CO 0.16 -0.31 -0.04 1.79 -3.45 0.00 0.00 179.45 177.59 1jiq h THR 212 N -0.48 0.00 -2.28 1.00 1.35 -1.97 -2.17 112.91 108.36 1jiq h THR 212 Ca 0.08 -0.80 -0.40 0.00 -0.55 0.00 0.00 66.41 64.74 1jiq h THR 212 Cb 0.63 1.77 -0.08 0.00 -1.73 0.00 0.00 68.15 68.75 1jiq h THR 212 CO -0.43 0.00 -0.45 0.33 -0.25 0.00 0.00 175.52 174.71 1jiq n PHE 213 N -2.76 -0.65 -0.39 4.73 7.35 -0.87 -4.63 117.46 120.24 1jiq n PHE 213 Ca 0.04 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.73 1jiq n PHE 213 Cb 0.49 -3.64 0.00 0.00 0.35 0.00 0.00 39.48 36.68 1jiq n PHE 213 CO 0.00 0.00 0.00 0.25 -0.76 0.00 0.00 176.76 176.25 1jiq n THR 214 N -3.28 0.15 -1.63 -2.13 -2.24 -1.26 -4.94 114.28 98.94 1jiq n THR 214 Ca -0.22 -0.38 -0.52 0.00 -2.27 0.00 0.00 64.05 60.66 1jiq n THR 214 Cb 0.67 1.22 -0.06 0.00 -2.10 0.00 0.00 70.33 70.06 1jiq n THR 214 CO 0.00 0.00 0.00 0.41 -0.57 0.00 0.00 175.07 174.91 1jiq n THR 215 N -0.08 0.39 0.00 4.28 -1.04 -1.26 -4.87 114.28 111.71 1jiq n THR 215 Ca 0.00 -0.14 -0.12 0.00 -2.04 0.00 0.00 64.05 61.75 1jiq n THR 215 Cb 0.16 -1.63 -0.06 0.00 -1.82 0.00 0.00 70.33 66.98 1jiq n THR 215 CO 0.00 0.00 0.00 -0.61 -0.64 0.00 0.00 175.07 173.82 1jiq h GLN 216 N 9.56 -0.47 -0.19 -2.82 4.15 -1.98 -0.22 115.11 123.14 1jiq h GLN 216 Ca -0.42 0.03 -0.02 0.00 0.77 0.00 0.00 58.65 59.01 1jiq h GLN 216 Cb 1.30 0.11 -0.01 0.00 0.21 0.00 0.00 27.48 29.09 1jiq h GLN 216 CO 0.97 -0.31 0.04 0.93 -1.93 0.00 0.00 178.83 178.53 1jiq h GLU 217 N -0.48 0.31 -0.14 1.69 5.08 -1.96 -0.37 114.58 118.71 1jiq h GLU 217 Ca 0.08 -0.08 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1jiq h GLU 217 Cb 0.62 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.82 1jiq h GLU 217 CO -0.39 0.45 0.09 1.15 -1.00 0.00 0.00 179.01 179.31 1jiq h THR 218 N 0.11 1.04 -0.06 1.13 2.02 -1.85 -0.80 112.91 114.51 1jiq h THR 218 Ca 0.06 -0.08 -0.13 0.00 0.77 0.00 0.00 66.41 67.02 1jiq h THR 218 Cb 0.29 0.85 -0.01 0.00 -1.74 0.00 0.00 68.15 67.54 1jiq h THR 218 CO 0.00 0.04 -0.57 0.40 0.37 0.00 0.00 175.52 175.76 1jiq h ILE 219 N 0.18 1.39 -0.18 3.11 1.08 -1.00 -0.22 117.51 121.86 1jiq h ILE 219 Ca 0.05 -1.93 -0.00 0.00 -0.39 0.00 0.00 64.86 62.59 1jiq h ILE 219 Cb -0.01 1.98 -0.01 0.00 -3.07 0.00 0.00 36.82 35.71 1jiq h ILE 219 CO -0.01 0.56 0.10 0.74 -0.69 0.00 0.00 178.15 178.86 1jiq h THR 220 N 0.13 1.10 -0.86 -0.27 2.02 -0.84 0.40 112.91 114.60 1jiq h THR 220 Ca -0.00 -0.26 -0.01 0.00 0.77 0.00 0.00 66.41 66.91 1jiq h THR 220 Cb 1.05 0.94 -0.04 0.00 -1.74 0.00 0.00 68.15 68.36 1jiq h THR 220 CO 0.09 0.09 0.51 0.78 0.37 0.00 0.00 175.52 177.35 1jiq h ASN 221 N 0.20 1.04 -0.53 4.18 2.35 -0.87 -1.87 115.58 120.08 1jiq h ASN 221 Ca 0.06 -0.07 -0.02 0.00 -0.55 0.00 0.00 56.30 55.73 1jiq h ASN 221 Cb 0.06 -0.26 -0.02 0.00 0.05 0.00 0.00 38.32 38.14 1jiq h ASN 221 CO -0.01 0.81 0.27 0.00 -1.65 0.00 0.00 177.43 176.84 1jiq h ALA 222 N 1.37 0.68 -0.40 -0.83 0.00 -0.44 -1.17 119.26 118.46 1jiq h ALA 222 Ca 0.31 -0.12 -0.09 0.00 0.00 0.00 0.00 54.91 55.01 1jiq h ALA 222 Cb -0.03 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.53 1jiq h ALA 222 CO -0.06 0.23 -0.11 0.93 0.00 0.00 0.00 179.25 180.24 1jiq h GLU 223 N 0.71 0.72 -0.70 0.00 5.08 -0.66 0.43 114.58 120.15 1jiq h GLU 223 Ca 0.18 -0.23 -0.07 0.00 -1.00 0.00 0.00 59.36 58.24 1jiq h GLU 223 Cb 0.10 -0.06 -0.03 0.00 0.50 0.00 0.00 28.75 29.26 1jiq h GLU 223 CO -0.02 0.81 0.17 1.15 -1.00 0.00 0.00 179.01 180.11 1jiq h THR 224 N 0.65 1.26 -0.56 1.13 2.02 -1.07 0.22 112.91 116.57 1jiq h THR 224 Ca 0.11 -0.97 -0.05 0.00 0.77 0.00 0.00 66.41 66.27 1jiq h THR 224 Cb 0.57 0.54 -0.02 0.00 -1.74 0.00 0.00 68.15 67.50 1jiq h THR 224 CO 0.04 0.37 0.13 0.00 0.37 0.00 0.00 175.52 176.43 1jiq h ALA 225 N 1.11 0.73 -0.31 6.16 0.00 -0.64 -1.86 119.26 124.46 1jiq h ALA 225 Ca 0.22 -0.22 -0.05 0.00 0.00 0.00 0.00 54.91 54.86 1jiq h ALA 225 Cb 0.37 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 1jiq h ALA 225 CO 0.00 0.44 0.00 -0.22 0.00 0.00 0.00 179.25 179.47 1jiq h LYS 226 N 0.79 0.54 -0.38 0.00 3.64 -0.61 -0.21 116.57 120.34 1jiq h LYS 226 Ca 0.17 -0.17 0.03 0.00 -1.27 0.00 0.00 60.65 59.41 1jiq h LYS 226 Cb 0.34 -0.05 -0.03 0.00 -0.41 0.00 0.00 32.23 32.08 1jiq h LYS 226 CO 0.00 0.68 0.20 1.49 -2.27 0.00 0.00 179.45 179.55 1jiq h GLU 227 N 0.34 0.39 -0.78 1.90 4.81 -0.93 0.18 114.58 120.49 1jiq h GLU 227 Ca 0.09 -0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 59.29 1jiq h GLU 227 Cb 0.43 -0.09 -0.04 0.00 0.63 0.00 0.00 28.75 29.68 1jiq h GLU 227 CO 0.01 0.26 0.47 2.35 -0.73 0.00 0.00 179.01 181.37 1jiq h TRP 228 N 0.40 1.03 0.09 0.92 7.01 -1.14 -2.64 115.95 121.62 1jiq h TRP 228 Ca 0.16 -0.00 -0.00 0.00 2.11 0.00 0.00 58.89 61.16 1jiq h TRP 228 Cb 0.06 -0.34 0.00 0.00 -2.10 0.00 0.00 29.16 26.78 1jiq h TRP 228 CO -0.10 0.69 -0.04 0.35 -2.79 0.00 0.00 178.44 176.55 1jiq h PHE 229 N 1.08 -0.11 0.00 2.65 3.57 0.06 -2.95 116.94 121.24 1jiq h PHE 229 Ca 0.28 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.78 1jiq h PHE 229 Cb -0.04 0.04 0.00 0.00 2.79 0.00 0.00 35.95 38.74 1jiq h PHE 229 CO 0.00 0.22 0.00 1.28 -2.23 0.00 0.00 178.31 177.58 1jiq n LEU 230 N -4.99 0.17 0.06 0.59 4.77 0.52 -1.19 117.00 116.93 1jiq n LEU 230 Ca -0.08 0.57 0.13 0.00 -0.03 0.00 0.00 56.01 56.60 1jiq n LEU 230 Cb 0.20 -0.58 0.40 0.00 -2.33 0.00 0.00 43.42 41.11 1jiq n LEU 230 CO 0.33 -0.57 0.77 0.00 -1.33 0.00 0.00 177.39 176.59 1jiq n GLN 231 N -1.72 0.18 0.03 3.23 6.02 -1.01 -2.86 117.38 121.25 1jiq n GLN 231 Ca 0.00 0.12 0.11 0.00 -0.01 0.00 0.00 57.00 57.23 1jiq n GLN 231 Cb 0.05 -1.68 -0.00 0.00 1.02 0.00 0.00 30.24 29.62 1jiq n GLN 231 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1jiq n ALA 232 N -1.70 3.31 -3.15 -1.58 0.00 -0.34 -4.84 120.51 112.21 1jiq n ALA 232 Ca 0.05 -0.41 0.06 0.00 0.00 0.00 0.00 53.44 53.15 1jiq n ALA 232 Cb 0.40 -0.96 -0.00 0.00 0.00 0.00 0.00 19.45 18.89 1jiq n ALA 232 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1jiq s ALA 233 N -3.23 -4.16 -0.73 0.00 0.00 -1.18 -5.11 121.76 107.35 1jiq s ALA 233 Ca 0.02 1.38 -0.25 0.00 0.00 0.00 0.00 51.96 53.12 1jiq s ALA 233 Cb 0.14 -2.84 -0.14 0.00 0.00 0.00 0.00 23.12 20.28 1jiq s ALA 233 CO 0.81 -2.06 2.41 1.63 0.00 0.00 0.00 175.76 178.56 1jiq n LYS 234 N 5.12 0.62 -3.16 0.00 4.76 -1.13 -4.73 118.16 119.63 1jiq n LYS 234 Ca 0.08 -0.43 0.02 0.00 -2.87 0.00 0.00 58.31 55.11 1jiq n LYS 234 Cb 0.58 -3.20 -0.00 0.00 -1.84 0.00 0.00 35.03 30.57 1jiq n LYS 234 CO 0.00 0.00 0.00 0.34 -1.37 0.00 0.00 177.40 176.37 1jiq s ASP 235 N 10.12 -1.49 0.62 4.39 -1.08 -1.26 -5.00 116.67 122.97 1jiq s ASP 235 Ca 1.02 -0.32 0.23 0.00 -0.52 0.00 0.00 52.55 52.96 1jiq s ASP 235 Cb -0.29 1.91 0.89 0.00 -1.46 0.00 0.00 42.92 43.96 1jiq s ASP 235 CO 0.22 -0.22 1.37 -0.65 0.52 0.00 0.00 175.17 176.41 1jiq h PRO 236 N 7.36 0.00 0.07 4.34 0.11 -1.99 0.87 132.00 142.75 1jiq h PRO 236 Ca 0.02 0.00 -0.25 0.00 0.11 0.00 0.00 66.00 65.88 1jiq h PRO 236 Cb 1.19 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.28 1jiq h PRO 236 CO 0.11 0.00 -1.18 0.66 -0.21 0.00 0.00 178.00 177.38 1jiq h SER 237 N 0.00 0.22 0.50 -2.05 4.64 -1.94 -3.30 113.55 111.62 1jiq h SER 237 Ca 0.35 -0.24 0.00 0.00 -0.47 0.00 0.00 61.79 61.43 1jiq h SER 237 Cb 2.42 -0.07 0.00 0.00 -0.31 0.00 0.00 62.40 64.44 1jiq h SER 237 CO -0.00 1.19 0.00 0.00 -0.87 0.00 0.00 176.83 177.15 1jiq h ALA 238 N 0.77 1.00 -0.71 5.18 0.00 -1.18 -2.95 119.26 121.37 1jiq h ALA 238 Ca -0.09 0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.79 1jiq h ALA 238 Cb 1.89 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 19.65 1jiq h ALA 238 CO 0.16 0.00 0.33 0.28 0.00 0.00 0.00 179.25 180.02 1jiq h VAL 239 N 0.00 1.24 0.00 0.00 2.07 -1.66 -2.53 116.25 115.36 1jiq h VAL 239 Ca 0.00 -0.69 0.00 0.00 0.82 0.00 0.00 66.70 66.83 1jiq h VAL 239 Cb 0.25 0.37 0.00 0.00 -1.52 0.00 0.00 31.29 30.39 1jiq h VAL 239 CO 0.00 0.28 0.00 0.00 0.02 0.00 0.00 177.57 177.87 1jiq h ALA 240 N 1.16 1.00 0.00 1.67 0.00 -1.32 0.13 119.26 121.91 1jiq h ALA 240 Ca 0.24 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.15 1jiq h ALA 240 Cb 0.14 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.93 1jiq h ALA 240 CO -0.03 0.00 -0.74 1.63 0.00 0.00 0.00 179.25 180.11 1jiq n LYS 241 N -2.62 0.04 0.00 0.00 5.02 -0.96 -4.45 118.16 115.20 1jiq n LYS 241 Ca -0.01 -0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.28 1jiq n LYS 241 Cb 0.09 -1.51 0.00 0.00 -0.02 0.00 0.00 35.03 33.59 1jiq n LYS 241 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 1jiq n HIS 242 N -1.57 0.00 -4.23 2.13 8.25 -0.21 -4.83 115.22 114.77 1jiq n HIS 242 Ca 0.04 0.00 -0.21 0.00 -0.26 0.00 0.00 57.72 57.29 1jiq n HIS 242 Cb 0.35 0.00 -0.16 0.00 1.12 0.00 0.00 29.99 31.29 1jiq n HIS 242 CO 0.00 0.00 0.00 -0.06 0.64 0.00 0.00 176.34 176.92 1jiq s PHE 243 N -0.08 0.90 0.30 4.41 0.40 0.30 -0.43 117.98 123.78 1jiq s PHE 243 Ca 0.00 -0.28 0.06 0.00 -0.60 0.00 0.00 56.93 56.10 1jiq s PHE 243 Cb 0.00 -0.76 -0.06 0.00 0.51 0.00 0.00 43.02 42.71 1jiq s PHE 243 CO 0.00 -0.22 -0.02 0.14 0.70 0.00 0.00 175.22 175.82 1jiq s VAL 244 N 0.91 1.52 0.00 -0.44 -7.23 -0.63 -4.55 120.40 109.98 1jiq s VAL 244 Ca -0.11 -2.07 0.04 0.00 -1.81 0.00 0.00 61.98 58.03 1jiq s VAL 244 Cb -0.15 -2.59 -0.01 0.00 0.56 0.00 0.00 36.38 34.19 1jiq s VAL 244 CO 0.00 -0.19 -0.14 0.00 -0.31 0.00 0.00 175.10 174.46 1jiq s ALA 245 N -3.09 1.16 -0.44 1.32 0.00 -0.70 -1.34 121.76 118.69 1jiq s ALA 245 Ca 0.32 -0.66 -0.05 0.00 0.00 0.00 0.00 51.96 51.56 1jiq s ALA 245 Cb 0.06 -0.26 0.11 0.00 0.00 0.00 0.00 23.12 23.03 1jiq s ALA 245 CO 0.13 0.27 0.26 -0.51 0.00 0.00 0.00 175.76 175.91 1jiq s LEU 246 N -0.56 5.44 0.02 0.00 1.43 -0.19 -0.17 118.68 124.66 1jiq s LEU 246 Ca 0.04 -1.99 -0.29 0.00 -1.03 0.00 0.00 54.13 50.87 1jiq s LEU 246 Cb -0.06 -1.90 0.11 0.00 0.03 0.00 0.00 46.19 44.36 1jiq s LEU 246 CO -0.00 -0.61 1.23 -0.55 0.23 0.00 0.00 176.35 176.65 1jiq s SER 247 N 2.17 -0.06 -0.00 2.29 0.15 -0.70 -1.05 113.70 116.51 1jiq s SER 247 Ca 0.07 -0.22 0.02 0.00 0.70 0.00 0.00 55.95 56.52 1jiq s SER 247 Cb -0.24 0.23 -0.02 0.00 -1.71 0.00 0.00 66.02 64.28 1jiq s SER 247 CO -0.03 -0.43 0.08 0.35 1.20 0.00 0.00 173.24 174.41 1jiq n THR 248 N -0.57 0.00 -2.56 6.45 -2.24 -0.82 -3.62 114.28 110.93 1jiq n THR 248 Ca -0.06 -0.45 -0.43 0.00 -2.27 0.00 0.00 64.05 60.84 1jiq n THR 248 Cb 0.62 0.99 0.00 0.00 -2.10 0.00 0.00 70.33 69.84 1jiq n THR 248 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 1jiq n ASN 249 N -1.05 4.90 -0.15 3.42 4.05 -1.23 -4.83 115.26 120.37 1jiq n ASN 249 Ca 0.00 -2.92 0.07 0.00 0.45 0.00 0.00 54.58 52.19 1jiq n ASN 249 Cb 0.03 -1.74 0.39 0.00 1.23 0.00 0.00 39.78 39.69 1jiq n ASN 249 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 1jiq h THR 250 N 5.44 1.01 -0.17 -0.44 1.03 -1.95 -1.75 112.91 116.08 1jiq h THR 250 Ca 0.45 -0.23 -0.10 0.00 -0.01 0.00 0.00 66.41 66.52 1jiq h THR 250 Cb 0.86 0.27 -0.00 0.00 -1.07 0.00 0.00 68.15 68.21 1jiq h THR 250 CO 1.47 0.12 -0.29 0.00 -0.01 0.00 0.00 175.52 176.82 1jiq h THR 251 N 0.68 1.35 -0.56 0.00 1.03 -1.99 -1.24 112.91 112.17 1jiq h THR 251 Ca 0.29 -1.52 -0.03 0.00 -0.01 0.00 0.00 66.41 65.14 1jiq h THR 251 Cb 0.28 1.93 -0.03 0.00 -1.07 0.00 0.00 68.15 69.26 1jiq h THR 251 CO -0.09 0.46 0.22 0.11 -0.01 0.00 0.00 175.52 176.20 1jiq h LYS 252 N 0.12 0.82 -0.18 0.00 1.79 -1.87 0.17 116.57 117.43 1jiq h LYS 252 Ca 0.01 -0.13 -0.02 0.00 -2.18 0.00 0.00 60.65 58.34 1jiq h LYS 252 Cb 0.87 -0.14 -0.01 0.00 -1.58 0.00 0.00 32.23 31.37 1jiq h LYS 252 CO 0.06 0.68 0.05 0.28 -1.08 0.00 0.00 179.45 179.45 1jiq h VAL 253 N 0.81 1.19 -0.19 0.50 2.07 -1.22 -1.27 116.25 118.14 1jiq h VAL 253 Ca 0.19 -0.60 0.03 0.00 0.82 0.00 0.00 66.70 67.14 1jiq h VAL 253 Cb 0.17 1.26 -0.02 0.00 -1.52 0.00 0.00 31.29 31.18 1jiq h VAL 253 CO -0.02 0.19 0.03 0.50 0.02 0.00 0.00 177.57 178.29 1jiq h LYS 254 N 0.10 0.11 -0.43 1.57 1.63 -0.86 -2.07 116.57 116.62 1jiq h LYS 254 Ca 0.06 -0.01 0.04 0.00 -0.85 0.00 0.00 60.65 59.89 1jiq h LYS 254 Cb 0.24 -0.02 -0.02 0.00 -0.60 0.00 0.00 32.23 31.82 1jiq h LYS 254 CO -0.00 0.07 0.29 0.93 -3.45 0.00 0.00 179.45 177.28 1jiq h GLU 255 N 0.11 0.39 -0.12 1.90 5.08 -0.46 0.58 114.58 122.05 1jiq h GLU 255 Ca 0.09 -0.02 -0.06 0.00 -1.00 0.00 0.00 59.36 58.36 1jiq h GLU 255 Cb 0.08 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.23 1jiq h GLU 255 CO -0.12 0.26 -0.21 0.35 -1.00 0.00 0.00 179.01 178.28 1jiq h PHE 256 N 0.40 0.21 0.00 4.33 3.57 -0.56 -3.46 116.94 121.43 1jiq h PHE 256 Ca 0.18 -0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.65 1jiq h PHE 256 Cb 0.22 -0.06 0.00 0.00 2.79 0.00 0.00 35.95 38.90 1jiq h PHE 256 CO -0.00 0.41 0.00 0.41 -2.23 0.00 0.00 178.31 176.90 1jiq n GLY 257 N -0.70 1.39 3.77 2.40 0.00 0.19 -5.03 105.19 107.21 1jiq n GLY 257 Ca -0.01 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.62 1jiq n GLY 257 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1jiq s ILE 258 N -2.00 4.87 -0.13 -0.61 1.01 -0.92 -2.63 121.20 120.80 1jiq s ILE 258 Ca 0.00 1.25 -0.29 0.00 0.00 0.00 0.00 60.65 61.61 1jiq s ILE 258 Cb 0.00 -3.93 -0.05 0.00 0.01 0.00 0.00 42.46 38.49 1jiq s ILE 258 CO 0.00 0.45 1.83 -0.62 0.00 0.00 0.00 174.94 176.60 1jiq s ASP 259 N -0.38 6.26 0.00 3.58 -1.08 -1.26 -3.91 116.67 119.88 1jiq s ASP 259 Ca 0.31 2.05 0.00 0.00 -0.52 0.00 0.00 52.55 54.38 1jiq s ASP 259 Cb -0.19 -2.53 0.00 0.00 -1.46 0.00 0.00 42.92 38.75 1jiq s ASP 259 CO 0.18 -1.29 0.94 -0.81 0.52 0.00 0.00 175.17 174.71 1jiq n PRO 260 N 7.76 0.00 0.25 4.34 -0.04 -1.26 0.16 135.00 146.22 1jiq n PRO 260 Ca 0.21 0.44 0.14 0.00 -0.04 0.00 0.00 63.50 64.25 1jiq n PRO 260 Cb 0.44 -1.52 0.59 0.00 -0.04 0.00 0.00 33.50 32.97 1jiq n PRO 260 CO 0.00 0.00 0.00 1.96 -0.04 0.00 0.00 175.50 177.42 1jiq h GLN 261 N 0.00 0.00 -0.86 0.54 7.50 -2.01 -2.88 115.11 117.40 1jiq h GLN 261 Ca 0.00 0.00 -0.52 0.00 0.50 0.00 0.00 58.65 58.63 1jiq h GLN 261 Cb 0.04 0.00 -0.28 0.00 0.05 0.00 0.00 27.48 27.29 1jiq h GLN 261 CO 0.00 0.10 0.46 0.09 -1.50 0.00 0.00 178.83 177.98 1jiq n ASN 262 N -3.25 5.12 -4.45 1.46 5.03 0.43 -4.88 115.26 114.71 1jiq n ASN 262 Ca 0.00 -3.73 -0.38 0.00 0.87 0.00 0.00 54.58 51.35 1jiq n ASN 262 Cb 0.35 -0.81 -0.12 0.00 -1.02 0.00 0.00 39.78 38.19 1jiq n ASN 262 CO 0.00 0.00 0.00 -0.32 -1.83 0.00 0.00 177.26 175.11 1jiq s MET 263 N -3.52 3.51 -0.36 3.52 1.75 -1.09 -1.71 119.30 121.39 1jiq s MET 263 Ca 0.57 -0.59 -0.12 0.00 -1.25 0.00 0.00 55.69 54.30 1jiq s MET 263 Cb 0.47 -3.47 0.01 0.00 2.84 0.00 0.00 34.83 34.68 1jiq s MET 263 CO 0.04 -0.31 0.22 -0.06 -0.65 0.00 0.00 175.02 174.26 1jiq s PHE 264 N 1.62 3.22 0.48 4.11 0.40 0.76 -4.91 117.98 123.66 1jiq s PHE 264 Ca 0.05 -0.60 -0.09 0.00 -0.60 0.00 0.00 56.93 55.70 1jiq s PHE 264 Cb -0.16 -2.46 -0.05 0.00 0.51 0.00 0.00 43.02 40.86 1jiq s PHE 264 CO 0.05 -0.51 0.83 -1.21 0.70 0.00 0.00 175.22 175.08 1jiq s GLU 265 N 1.64 3.66 0.31 0.44 2.02 -1.24 -1.72 118.70 123.81 1jiq s GLU 265 Ca 0.04 0.43 0.01 0.00 0.02 0.00 0.00 54.97 55.47 1jiq s GLU 265 Cb -0.18 -2.32 -0.00 0.00 0.10 0.00 0.00 34.13 31.73 1jiq s GLU 265 CO 0.08 -0.21 0.39 1.97 0.02 0.00 0.00 175.26 177.51 1jiq n PHE 266 N -1.96 -1.16 -4.46 1.61 1.16 -1.26 -4.48 117.46 106.90 1jiq n PHE 266 Ca 0.02 -2.26 -0.22 0.00 -1.87 0.00 0.00 57.45 53.12 1jiq n PHE 266 Cb 0.54 0.43 -0.10 0.00 -1.61 0.00 0.00 39.48 38.74 1jiq n PHE 266 CO 0.00 0.00 0.00 -1.58 -1.87 0.00 0.00 176.76 173.31 1jiq s TRP 267 N -3.14 2.05 -0.58 2.97 0.51 -1.26 -4.86 118.94 114.63 1jiq s TRP 267 Ca 0.29 -0.75 0.21 0.00 -2.12 0.00 0.00 56.10 53.73 1jiq s TRP 267 Cb -0.00 -1.25 0.89 0.00 -0.81 0.00 0.00 33.47 32.29 1jiq s TRP 267 CO 0.21 0.25 1.63 -0.40 -0.51 0.00 0.00 176.95 178.13 1jiq n ASP 268 N -0.67 0.49 -0.54 2.95 5.68 -1.26 -1.15 116.55 122.06 1jiq n ASP 268 Ca -0.05 0.63 0.06 0.00 -0.50 0.00 0.00 54.79 54.93 1jiq n ASP 268 Cb 0.65 -0.73 0.17 0.00 -1.14 0.00 0.00 41.12 40.06 1jiq n ASP 268 CO 0.00 0.00 0.00 -2.67 -1.33 0.00 0.00 177.20 173.20 1jiq n TRP 269 N -2.06 0.37 -3.62 2.11 4.27 -1.26 -4.63 117.44 112.62 1jiq n TRP 269 Ca 0.02 -0.19 -0.40 0.00 -3.89 0.00 0.00 57.50 53.05 1jiq n TRP 269 Cb 0.19 0.00 -0.10 0.00 -1.36 0.00 0.00 31.31 30.04 1jiq n TRP 269 CO 0.00 0.00 0.00 0.08 -2.29 0.00 0.00 177.69 175.48 1jiq s VAL 270 N -1.63 4.04 0.36 -1.67 1.01 -0.30 -1.77 120.40 120.44 1jiq s VAL 270 Ca 0.22 -1.63 -0.26 0.00 0.00 0.00 0.00 61.98 60.30 1jiq s VAL 270 Cb 0.11 -3.57 -0.09 0.00 0.00 0.00 0.00 36.38 32.83 1jiq s VAL 270 CO 0.15 -0.61 1.12 -0.83 0.00 0.00 0.00 175.10 174.93 1jiq s GLY 271 N 2.24 2.89 0.22 4.51 0.00 -1.26 -4.85 107.32 111.07 1jiq s GLY 271 Ca 0.04 0.88 -0.09 0.00 0.00 0.00 0.00 44.72 45.55 1jiq s GLY 271 CO 0.00 1.40 1.66 -1.33 0.00 0.00 0.00 173.10 174.83 1jiq h GLY 272 N 2.96 0.73 0.73 0.20 0.00 -1.97 0.29 103.07 106.01 1jiq h GLY 272 Ca -0.48 0.08 0.00 0.00 0.00 0.00 0.00 47.33 46.93 1jiq h GLY 272 CO 0.64 -0.22 0.00 -0.96 0.00 0.00 0.00 176.54 176.00 1jiq n ARG 273 N -5.29 0.79 -0.90 4.80 1.85 -1.26 -2.14 116.66 114.50 1jiq n ARG 273 Ca 0.10 0.00 0.05 0.00 -1.00 0.00 0.00 57.85 57.01 1jiq n ARG 273 Cb 0.39 -1.36 0.13 0.00 -1.05 0.00 0.00 32.46 30.57 1jiq n ARG 273 CO 0.00 0.00 0.00 0.66 -0.01 0.00 0.00 177.63 178.28 1jiq n TYR 274 N -0.86 0.00 0.64 2.89 4.02 0.96 -4.74 117.16 120.06 1jiq n TYR 274 Ca 0.14 -1.06 0.07 0.00 -0.01 0.00 0.00 57.90 57.04 1jiq n TYR 274 Cb 0.06 -0.20 -0.04 0.00 -0.02 0.00 0.00 39.34 39.14 1jiq n TYR 274 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 176.86 174.72 1jiq n SER 275 N -0.50 1.10 0.33 7.72 3.41 -0.87 -4.43 113.62 120.38 1jiq n SER 275 Ca 0.13 -1.05 0.21 0.00 -0.26 0.00 0.00 58.87 57.91 1jiq n SER 275 Cb 0.86 0.72 1.14 0.00 -0.26 0.00 0.00 64.21 66.66 1jiq n SER 275 CO 0.00 0.00 0.00 0.17 -0.16 0.00 0.00 175.04 175.05 1jiq h LEU 276 N 0.84 0.00 -0.05 1.04 8.10 -1.83 -0.69 115.31 122.73 1jiq h LEU 276 Ca 0.00 0.00 0.00 0.00 0.11 0.00 0.00 57.88 57.99 1jiq h LEU 276 Cb 0.41 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.63 1jiq h LEU 276 CO 0.00 0.00 0.00 0.79 -4.11 0.00 0.00 178.44 175.12 1jiq n TRP 277 N -3.09 0.21 -1.92 0.17 7.02 -1.26 -3.04 117.44 115.53 1jiq n TRP 277 Ca -0.03 0.07 0.00 0.00 -1.02 0.00 0.00 57.50 56.52 1jiq n TRP 277 Cb 0.13 -0.61 0.00 0.00 -2.42 0.00 0.00 31.31 28.41 1jiq n TRP 277 CO 0.00 0.00 0.00 -1.13 -2.02 0.00 0.00 177.69 174.54 1jiq n SER 278 N -1.68 0.06 -0.13 -0.99 3.41 -0.26 -4.76 113.62 109.27 1jiq n SER 278 Ca 0.06 0.00 0.23 0.00 -0.26 0.00 0.00 58.87 58.89 1jiq n SER 278 Cb 0.31 0.00 0.65 0.00 -0.26 0.00 0.00 64.21 64.91 1jiq n SER 278 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1jiq h ALA 279 N -0.93 2.53 -0.42 7.33 0.00 -1.81 0.37 119.26 126.33 1jiq h ALA 279 Ca 0.00 -0.01 0.12 0.00 0.00 0.00 0.00 54.91 55.02 1jiq h ALA 279 Cb 0.00 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 1jiq h ALA 279 CO 0.00 -0.75 0.41 0.82 0.00 0.00 0.00 179.25 179.73 1jiq h ILE 280 N 0.12 0.46 -0.00 0.00 1.08 -1.85 0.18 117.51 117.50 1jiq h ILE 280 Ca 0.37 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.84 1jiq h ILE 280 Cb 1.27 0.69 0.00 0.00 -3.07 0.00 0.00 36.82 35.71 1jiq h ILE 280 CO -0.05 0.00 0.00 0.61 -0.69 0.00 0.00 178.15 178.02 1jiq n GLY 281 N -1.52 -0.98 0.28 5.37 0.00 0.12 -4.29 105.19 104.17 1jiq n GLY 281 Ca 0.07 -0.05 0.06 0.00 0.00 0.00 0.00 46.02 46.10 1jiq n GLY 281 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1jiq h LEU 282 N 0.02 0.29 -1.62 0.99 5.85 -0.80 0.16 115.31 120.19 1jiq h LEU 282 Ca 0.00 0.11 -0.03 0.00 0.84 0.00 0.00 57.88 58.80 1jiq h LEU 282 Cb 0.00 0.09 -0.01 0.00 0.37 0.00 0.00 40.66 41.12 1jiq h LEU 282 CO 0.00 0.10 -0.09 0.77 -0.34 0.00 0.00 178.44 178.88 1jiq h SER 283 N 0.44 0.12 0.09 1.25 4.64 -1.84 0.23 113.55 118.49 1jiq h SER 283 Ca 0.42 -0.02 -0.00 0.00 -0.47 0.00 0.00 61.79 61.72 1jiq h SER 283 Cb 0.65 -0.03 0.00 0.00 -0.31 0.00 0.00 62.40 62.72 1jiq h SER 283 CO -0.41 0.23 -0.05 0.40 -0.87 0.00 0.00 176.83 176.13 1jiq h ILE 284 N 0.12 1.06 -0.89 0.95 2.04 -1.31 -1.33 117.51 118.16 1jiq h ILE 284 Ca 0.03 -0.59 0.09 0.00 1.00 0.00 0.00 64.86 65.39 1jiq h ILE 284 Cb 0.24 1.44 -0.07 0.00 -0.74 0.00 0.00 36.82 37.70 1jiq h ILE 284 CO 0.01 0.15 0.54 0.00 0.00 0.00 0.00 178.15 178.85 1jiq h ALA 285 N 0.47 1.28 -0.49 1.87 0.00 -0.51 0.03 119.26 121.91 1jiq h ALA 285 Ca -0.01 0.02 -0.10 0.00 0.00 0.00 0.00 54.91 54.81 1jiq h ALA 285 Cb 0.34 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 1jiq h ALA 285 CO 0.02 0.19 -0.10 -0.07 0.00 0.00 0.00 179.25 179.30 1jiq h LEU 286 N 0.91 0.94 -0.11 0.00 3.38 -0.45 0.44 115.31 120.41 1jiq h LEU 286 Ca 0.42 -0.35 -0.10 0.00 0.09 0.00 0.00 57.88 57.94 1jiq h LEU 286 Cb 0.34 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 40.84 1jiq h LEU 286 CO -0.23 1.07 -0.32 -0.74 0.09 0.00 0.00 178.44 178.31 1jiq h HIS 287 N 0.79 0.53 -0.02 1.13 2.76 -0.67 -3.36 115.15 116.32 1jiq h HIS 287 Ca 0.13 -0.21 0.00 0.00 -2.20 0.00 0.00 60.37 58.09 1jiq h HIS 287 Cb 0.65 -0.09 0.00 0.00 1.55 0.00 0.00 27.41 29.52 1jiq h HIS 287 CO 0.05 0.93 -0.00 1.33 -1.30 0.00 0.00 177.93 178.93 1jiq n VAL 288 N -4.40 0.00 0.00 5.26 0.24 -0.06 -4.29 118.33 115.08 1jiq n VAL 288 Ca -0.07 -0.50 0.00 0.00 -2.04 0.00 0.00 64.34 61.73 1jiq n VAL 288 Cb 0.49 1.28 0.00 0.00 -1.47 0.00 0.00 33.84 34.14 1jiq n VAL 288 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1jiq n GLY 289 N 0.76 0.28 0.31 7.63 0.00 0.14 -4.28 105.19 110.03 1jiq n GLY 289 Ca 0.08 -1.51 0.01 0.00 0.00 0.00 0.00 46.02 44.61 1jiq n GLY 289 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1jiq h PHE 290 N 0.00 0.65 -0.75 1.61 3.57 -1.90 -1.95 116.94 118.17 1jiq h PHE 290 Ca 0.00 -0.01 0.05 0.00 3.53 0.00 0.00 57.97 61.54 1jiq h PHE 290 Cb 0.00 -0.21 -0.05 0.00 2.79 0.00 0.00 35.95 38.48 1jiq h PHE 290 CO 0.00 0.48 0.46 -0.44 -2.23 0.00 0.00 178.31 176.58 1jiq h ASP 291 N 0.67 0.71 -0.03 0.41 3.32 -1.92 0.37 116.42 119.96 1jiq h ASP 291 Ca 0.17 0.02 -0.11 0.00 0.02 0.00 0.00 57.03 57.12 1jiq h ASP 291 Cb 0.06 -0.13 -0.01 0.00 0.22 0.00 0.00 39.33 39.47 1jiq h ASP 291 CO -0.02 0.47 -0.33 0.78 -1.72 0.00 0.00 179.24 178.41 1jiq h ASN 292 N 0.85 0.52 -0.63 6.45 -0.26 -1.60 -2.10 115.58 118.80 1jiq h ASN 292 Ca 0.33 -0.20 -0.02 0.00 -0.56 0.00 0.00 56.30 55.84 1jiq h ASN 292 Cb 0.14 -0.14 -0.03 0.00 -1.06 0.00 0.00 38.32 37.22 1jiq h ASN 292 CO -0.16 0.82 0.31 0.15 -1.06 0.00 0.00 177.43 177.49 1jiq h PHE 293 N 0.43 0.89 -0.56 1.19 3.57 -0.64 -0.89 116.94 120.92 1jiq h PHE 293 Ca 0.05 -0.04 -0.03 0.00 3.53 0.00 0.00 57.97 61.49 1jiq h PHE 293 Cb 0.79 -0.28 -0.03 0.00 2.79 0.00 0.00 35.95 39.22 1jiq h PHE 293 CO 0.03 0.66 0.24 0.93 -2.23 0.00 0.00 178.31 177.94 1jiq h GLU 294 N 0.86 0.81 -0.63 1.11 5.08 -0.74 -0.46 114.58 120.61 1jiq h GLU 294 Ca 0.22 -0.12 -0.08 0.00 -1.00 0.00 0.00 59.36 58.38 1jiq h GLU 294 Cb 0.10 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 29.17 1jiq h GLU 294 CO -0.03 0.65 0.06 1.96 -1.00 0.00 0.00 179.01 180.66 1jiq h GLN 295 N 0.80 1.07 -0.01 2.33 1.08 -0.70 0.63 115.11 120.30 1jiq h GLN 295 Ca 0.19 -0.31 0.02 0.00 -1.45 0.00 0.00 58.65 57.11 1jiq h GLN 295 Cb 0.14 -0.11 -0.03 0.00 -0.05 0.00 0.00 27.48 27.42 1jiq h GLN 295 CO -0.02 1.01 -0.14 1.25 -0.95 0.00 0.00 178.83 179.98 1jiq h LEU 296 N 0.98 -0.41 -0.65 1.46 5.85 -0.45 -0.66 115.31 121.43 1jiq h LEU 296 Ca 0.19 0.06 0.06 0.00 0.84 0.00 0.00 57.88 59.03 1jiq h LEU 296 Cb 0.49 0.18 -0.05 0.00 0.37 0.00 0.00 40.66 41.64 1jiq h LEU 296 CO 0.02 -0.19 0.35 -0.07 -0.34 0.00 0.00 178.44 178.21 1jiq h LEU 297 N -0.23 0.52 -1.19 2.25 3.38 -0.89 -2.41 115.31 116.75 1jiq h LEU 297 Ca 0.05 0.03 -0.05 0.00 0.09 0.00 0.00 57.88 58.00 1jiq h LEU 297 Cb 0.29 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 40.96 1jiq h LEU 297 CO -0.15 0.34 0.03 0.28 0.09 0.00 0.00 178.44 179.03 1jiq h SER 298 N 0.66 0.56 -0.46 -0.43 0.02 -0.30 0.80 113.55 114.39 1jiq h SER 298 Ca 0.29 -0.10 -0.05 0.00 -0.84 0.00 0.00 61.79 61.09 1jiq h SER 298 Cb 0.18 -0.15 -0.02 0.00 0.14 0.00 0.00 62.40 62.56 1jiq h SER 298 CO -0.18 0.60 0.09 1.23 -1.14 0.00 0.00 176.83 177.43 1jiq h GLY 299 N 0.86 0.81 0.97 -3.77 0.00 -0.76 -0.08 103.07 101.11 1jiq h GLY 299 Ca 0.12 -0.53 -0.01 0.00 0.00 0.00 0.00 47.33 46.91 1jiq h GLY 299 CO 0.01 0.49 0.24 0.00 0.00 0.00 0.00 176.54 177.28 1jiq h ALA 300 N 0.96 0.59 -0.85 3.60 0.00 -0.95 -2.01 119.26 120.60 1jiq h ALA 300 Ca 0.14 -0.10 0.04 0.00 0.00 0.00 0.00 54.91 54.99 1jiq h ALA 300 Cb 0.36 -0.18 -0.05 0.00 0.00 0.00 0.00 17.79 17.91 1jiq h ALA 300 CO 0.01 0.13 0.54 1.25 0.00 0.00 0.00 179.25 181.18 1jiq h HIS 301 N 0.61 1.02 -0.27 0.00 6.17 -0.56 0.18 115.15 122.29 1jiq h HIS 301 Ca 0.16 0.03 0.00 0.00 0.71 0.00 0.00 60.37 61.27 1jiq h HIS 301 Cb 0.08 -0.33 -0.01 0.00 2.52 0.00 0.00 27.41 29.66 1jiq h HIS 301 CO -0.02 0.57 0.18 2.35 0.71 0.00 0.00 177.93 181.72 1jiq h TRP 302 N 1.04 0.34 -0.38 5.26 7.01 -0.59 -2.15 115.95 126.48 1jiq h TRP 302 Ca 0.35 0.01 -0.10 0.00 2.11 0.00 0.00 58.89 61.26 1jiq h TRP 302 Cb 0.05 -0.11 -0.02 0.00 -2.10 0.00 0.00 29.16 26.98 1jiq h TRP 302 CO -0.02 0.21 -0.17 1.98 -2.79 0.00 0.00 178.44 177.64 1jiq h MET 303 N 0.36 0.71 -0.79 2.65 4.05 -0.85 -1.37 114.93 119.70 1jiq h MET 303 Ca 0.10 -0.26 0.09 0.00 -0.28 0.00 0.00 59.70 59.36 1jiq h MET 303 Cb -0.04 -0.05 -0.07 0.00 -0.80 0.00 0.00 31.60 30.64 1jiq h MET 303 CO -0.03 0.84 0.43 -0.44 0.23 0.00 0.00 176.91 177.95 1jiq h ASP 304 N 0.63 0.61 0.22 1.39 3.32 -0.31 -1.20 116.42 121.09 1jiq h ASP 304 Ca 0.10 0.05 -0.18 0.00 0.02 0.00 0.00 57.03 57.02 1jiq h ASP 304 Cb 0.64 -0.06 -0.00 0.00 0.22 0.00 0.00 39.33 40.13 1jiq h ASP 304 CO 0.05 0.35 -0.70 1.56 -1.72 0.00 0.00 179.24 178.77 1jiq h GLN 305 N 0.73 0.43 -0.34 3.56 4.20 -0.95 -1.43 115.11 121.31 1jiq h GLN 305 Ca 0.38 -0.34 0.02 0.00 0.06 0.00 0.00 58.65 58.77 1jiq h GLN 305 Cb 0.37 0.07 -0.03 0.00 0.30 0.00 0.00 27.48 28.19 1jiq h GLN 305 CO -0.25 0.97 0.18 1.25 -0.67 0.00 0.00 178.83 180.31 1jiq h HIS 306 N 0.30 0.34 -0.52 2.96 2.76 -0.87 -0.24 115.15 119.88 1jiq h HIS 306 Ca -0.03 0.01 -0.05 0.00 -2.20 0.00 0.00 60.37 58.10 1jiq h HIS 306 Cb 1.27 -0.10 -0.02 0.00 1.55 0.00 0.00 27.41 30.11 1jiq h HIS 306 CO 0.04 0.19 0.11 0.35 -1.30 0.00 0.00 177.93 177.32 1jiq h PHE 307 N 0.38 0.84 0.01 5.26 3.57 -1.11 -2.00 116.94 123.89 1jiq h PHE 307 Ca 0.14 -0.08 -0.20 0.00 3.53 0.00 0.00 57.97 61.36 1jiq h PHE 307 Cb 0.03 -0.24 -0.01 0.00 2.79 0.00 0.00 35.95 38.51 1jiq h PHE 307 CO -0.09 0.72 -0.90 -0.09 -2.23 0.00 0.00 178.31 175.72 1jiq h ARG 308 N 0.78 0.15 -0.01 1.11 2.43 -0.78 -3.37 114.38 114.69 1jiq h ARG 308 Ca 0.17 -0.18 0.00 0.00 -0.81 0.00 0.00 59.98 59.16 1jiq h ARG 308 Cb 0.32 0.05 0.00 0.00 -0.42 0.00 0.00 29.97 29.92 1jiq h ARG 308 CO 0.00 0.95 -0.35 0.25 -1.51 0.00 0.00 179.97 179.31 1jiq n THR 309 N -3.61 0.00 -3.45 0.20 -2.24 -0.15 -5.00 114.28 100.03 1jiq n THR 309 Ca -0.03 -0.32 -0.37 0.00 -2.27 0.00 0.00 64.05 61.05 1jiq n THR 309 Cb 0.83 1.10 -0.07 0.00 -2.10 0.00 0.00 70.33 70.09 1jiq n THR 309 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 1jiq s THR 310 N -1.74 5.26 0.21 4.28 2.01 -0.76 -5.03 115.64 119.87 1jiq s THR 310 Ca 0.08 0.68 -0.31 0.00 0.31 0.00 0.00 61.69 62.45 1jiq s THR 310 Cb 0.10 -3.70 -0.15 0.00 0.01 0.00 0.00 72.50 68.76 1jiq s THR 310 CO 0.37 0.34 1.05 -2.65 -0.69 0.00 0.00 174.62 173.03 1jiq n PRO 311 N 3.80 1.10 -0.31 4.92 -0.02 -1.26 -4.64 135.00 138.59 1jiq n PRO 311 Ca -0.10 0.39 0.16 0.00 -2.02 0.00 0.00 63.50 61.93 1jiq n PRO 311 Cb 0.52 -1.79 0.35 0.00 -0.02 0.00 0.00 33.50 32.55 1jiq n PRO 311 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 1jiq h LEU 312 N 2.65 0.32 -0.45 2.45 3.38 -1.96 0.48 115.31 122.18 1jiq h LEU 312 Ca -0.41 0.17 0.00 0.00 0.09 0.00 0.00 57.88 57.74 1jiq h LEU 312 Cb 1.35 0.16 0.00 0.00 0.09 0.00 0.00 40.66 42.26 1jiq h LEU 312 CO 0.65 -0.06 0.00 -1.84 0.09 0.00 0.00 178.44 177.28 1jiq n GLU 313 N -5.08 0.07 -0.17 1.13 0.00 -1.26 -2.29 120.64 113.05 1jiq n GLU 313 Ca 0.25 0.44 0.04 0.00 0.00 0.00 0.00 57.16 57.89 1jiq n GLU 313 Cb 0.75 -1.68 0.06 0.00 0.00 0.00 0.00 31.44 30.57 1jiq n GLU 313 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.13 178.76 1jiq n LYS 314 N -1.83 1.09 -3.27 3.44 4.76 0.13 -5.01 118.16 117.47 1jiq n LYS 314 Ca 0.01 -1.73 -0.42 0.00 -2.87 0.00 0.00 58.31 53.31 1jiq n LYS 314 Cb 0.11 -1.03 -0.08 0.00 -1.84 0.00 0.00 35.03 32.19 1jiq n LYS 314 CO 0.00 0.00 0.00 1.21 -1.37 0.00 0.00 177.40 177.24 1jiq s ASN 315 N -1.71 6.26 0.10 4.39 3.04 -0.97 -4.91 114.94 121.15 1jiq s ASN 315 Ca 0.14 -0.30 -0.31 0.00 0.04 0.00 0.00 52.86 52.43 1jiq s ASN 315 Cb 0.12 -2.25 -0.12 0.00 -1.54 0.00 0.00 41.25 37.46 1jiq s ASN 315 CO 0.01 -0.53 1.60 0.00 -3.04 0.00 0.00 177.10 175.14 1jiq h ALA 316 N 8.60 -0.77 -0.53 1.71 0.00 -1.92 -0.87 119.26 125.49 1jiq h ALA 316 Ca -0.27 -0.10 0.02 0.00 0.00 0.00 0.00 54.91 54.56 1jiq h ALA 316 Cb 1.12 0.62 -0.03 0.00 0.00 0.00 0.00 17.79 19.50 1jiq h ALA 316 CO 0.79 -0.99 0.35 -1.00 0.00 0.00 0.00 179.25 178.40 1jiq h PRO 317 N -0.71 0.62 -0.19 0.00 0.13 -1.94 -1.21 132.00 128.70 1jiq h PRO 317 Ca -0.00 -0.04 -0.03 0.00 -0.87 0.00 0.00 66.00 65.06 1jiq h PRO 317 Cb 0.69 -0.14 -0.01 0.00 0.13 0.00 0.00 31.00 31.67 1jiq h PRO 317 CO -0.16 0.41 -0.01 0.28 -0.23 0.00 0.00 178.00 178.29 1jiq h VAL 318 N 0.64 1.26 -0.40 1.56 2.07 -1.76 -0.69 116.25 118.94 1jiq h VAL 318 Ca 0.21 -0.91 -0.02 0.00 0.82 0.00 0.00 66.70 66.80 1jiq h VAL 318 Cb 0.04 1.49 -0.02 0.00 -1.52 0.00 0.00 31.29 31.29 1jiq h VAL 318 CO -0.05 0.28 0.18 -0.07 0.02 0.00 0.00 177.57 177.92 1jiq h LEU 319 N 0.08 0.54 -0.71 2.57 3.38 -0.66 -0.02 115.31 120.50 1jiq h LEU 319 Ca 0.05 -0.15 0.03 0.00 0.09 0.00 0.00 57.88 57.91 1jiq h LEU 319 Cb 0.42 -0.14 -0.04 0.00 0.09 0.00 0.00 40.66 40.99 1jiq h LEU 319 CO 0.01 0.54 0.44 -0.07 0.09 0.00 0.00 178.44 179.45 1jiq h LEU 320 N 0.51 0.73 -0.12 1.67 3.38 -1.17 -0.62 115.31 119.68 1jiq h LEU 320 Ca 0.14 0.00 0.03 0.00 0.09 0.00 0.00 57.88 58.14 1jiq h LEU 320 Cb 0.15 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 40.71 1jiq h LEU 320 CO -0.01 0.50 -0.08 0.00 0.09 0.00 0.00 178.44 178.94 1jiq h ALA 321 N 1.31 0.02 -0.57 1.53 0.00 -0.73 -2.28 119.26 118.53 1jiq h ALA 321 Ca 0.29 0.05 -0.05 0.00 0.00 0.00 0.00 54.91 55.20 1jiq h ALA 321 Cb 0.03 0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 1jiq h ALA 321 CO -0.11 -0.53 0.16 -0.07 0.00 0.00 0.00 179.25 178.70 1jiq h LEU 322 N -0.08 0.85 -0.93 0.00 3.38 -0.61 -1.28 115.31 116.64 1jiq h LEU 322 Ca 0.07 -0.22 0.07 0.00 0.09 0.00 0.00 57.88 57.89 1jiq h LEU 322 Cb 0.19 -0.22 -0.07 0.00 0.09 0.00 0.00 40.66 40.65 1jiq h LEU 322 CO -0.17 0.84 0.59 -0.07 0.09 0.00 0.00 178.44 179.72 1jiq h LEU 323 N 0.81 0.92 -0.58 1.67 3.38 -1.00 -0.71 115.31 119.81 1jiq h LEU 323 Ca 0.18 0.02 -0.04 0.00 0.09 0.00 0.00 57.88 58.13 1jiq h LEU 323 Cb 0.31 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.86 1jiq h LEU 323 CO -0.00 0.58 0.21 1.23 0.09 0.00 0.00 178.44 180.54 1jiq h GLY 324 N 1.05 0.95 0.85 0.83 0.00 -0.79 -1.85 103.07 104.10 1jiq h GLY 324 Ca 0.41 -0.54 0.03 0.00 0.00 0.00 0.00 47.33 47.23 1jiq h GLY 324 CO -0.18 0.51 0.35 -2.22 0.00 0.00 0.00 176.54 175.00 1jiq h ILE 325 N 0.80 1.05 -0.38 2.60 1.08 -0.49 0.11 117.51 122.28 1jiq h ILE 325 Ca 0.19 -0.24 0.06 0.00 -0.39 0.00 0.00 64.86 64.48 1jiq h ILE 325 Cb 0.24 0.30 -0.05 0.00 -3.07 0.00 0.00 36.82 34.24 1jiq h ILE 325 CO -0.01 0.13 0.07 -0.25 -0.69 0.00 0.00 178.15 177.40 1jiq h TRP 326 N 0.69 0.12 -0.00 1.37 -0.00 -0.77 0.15 115.95 117.52 1jiq h TRP 326 Ca 0.24 0.02 -0.17 0.00 -0.00 0.00 0.00 58.89 58.98 1jiq h TRP 326 Cb 0.04 0.00 -0.02 0.00 -0.00 0.00 0.00 29.16 29.18 1jiq h TRP 326 CO -0.06 0.01 -0.81 1.88 -0.00 0.00 0.00 178.44 179.47 1jiq h TYR 327 N 0.20 0.06 0.00 2.65 0.05 -0.93 -2.33 116.97 116.68 1jiq h TYR 327 Ca 0.18 -0.03 -0.03 0.00 0.05 0.00 0.00 58.73 58.90 1jiq h TYR 327 Cb 0.22 -0.01 -0.00 0.00 1.01 0.00 0.00 36.73 37.94 1jiq h TYR 327 CO -0.20 0.83 -0.17 0.82 -1.05 0.00 0.00 178.16 178.39 1jiq h ILE 328 N 0.02 1.03 0.00 -2.88 2.04 -0.53 0.17 117.51 117.37 1jiq h ILE 328 Ca -0.01 -1.83 0.00 0.00 1.00 0.00 0.00 64.86 64.02 1jiq h ILE 328 Cb 1.42 2.00 0.00 0.00 -0.74 0.00 0.00 36.82 39.50 1jiq h ILE 328 CO 0.11 0.35 -0.89 0.59 0.00 0.00 0.00 178.15 178.31 1jiq n ASN 329 N -4.64 0.75 -0.07 1.72 4.13 0.51 -2.64 115.26 115.02 1jiq n ASN 329 Ca -0.09 0.17 -0.10 0.00 1.68 0.00 0.00 54.58 56.24 1jiq n ASN 329 Cb 0.34 0.42 -0.03 0.00 -1.54 0.00 0.00 39.78 38.97 1jiq n ASN 329 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1jiq h PHE 331 N -0.80 0.00 -0.94 0.00 -1.00 -1.36 -3.48 116.94 109.36 1jiq h PHE 331 Ca -0.09 0.00 -0.18 0.00 2.81 0.00 0.00 57.97 60.51 1jiq h PHE 331 Cb 0.92 0.00 -0.03 0.00 3.61 0.00 0.00 35.95 40.44 1jiq h PHE 331 CO -0.30 0.00 -0.20 0.41 -1.61 0.00 0.00 178.31 176.61 1jiq n GLY 332 N 0.82 0.40 3.69 -1.45 0.00 -0.09 -4.96 105.19 103.60 1jiq n GLY 332 Ca 0.04 -0.56 -0.42 0.00 0.00 0.00 0.00 46.02 45.07 1jiq n GLY 332 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jiq h GLU 334 N 7.81 0.00 -5.68 0.00 5.08 -1.89 -3.40 114.58 116.50 1jiq h GLU 334 Ca -0.38 0.00 -0.56 0.00 -1.00 0.00 0.00 59.36 57.42 1jiq h GLU 334 Cb 1.18 0.00 -0.14 0.00 0.50 0.00 0.00 28.75 30.29 1jiq h GLU 334 CO 0.90 0.49 -0.66 0.95 -1.00 0.00 0.00 179.01 179.69 1jiq s THR 335 N -3.47 1.90 -0.15 1.13 -4.23 -1.26 -0.69 115.64 108.87 1jiq s THR 335 Ca 0.00 -2.13 -0.03 0.00 -1.18 0.00 0.00 61.69 58.35 1jiq s THR 335 Cb 0.11 -2.63 0.05 0.00 1.34 0.00 0.00 72.50 71.37 1jiq s THR 335 CO 0.72 -0.19 0.05 -2.28 -0.54 0.00 0.00 174.62 172.38 1jiq s HIS 336 N -2.83 0.51 -0.05 3.99 2.46 -0.16 -4.21 115.29 115.00 1jiq s HIS 336 Ca 0.32 -0.39 -0.20 0.00 0.47 0.00 0.00 55.06 55.27 1jiq s HIS 336 Cb 0.04 -0.79 -0.05 0.00 -0.13 0.00 0.00 32.58 31.66 1jiq s HIS 336 CO 0.15 -0.47 0.55 0.00 -2.47 0.00 0.00 174.74 172.50 1jiq s ALA 337 N 2.03 3.48 -0.27 1.58 0.00 -0.72 -2.17 121.76 125.69 1jiq s ALA 337 Ca 0.02 -0.06 -0.02 0.00 0.00 0.00 0.00 51.96 51.90 1jiq s ALA 337 Cb -0.15 -2.70 0.03 0.00 0.00 0.00 0.00 23.12 20.30 1jiq s ALA 337 CO -0.07 0.10 -0.03 -1.64 0.00 0.00 0.00 175.76 174.11 1jiq s MET 338 N 0.15 2.71 -0.60 0.00 -1.94 -0.19 -0.75 119.30 118.68 1jiq s MET 338 Ca 0.29 -1.07 0.04 0.00 -1.71 0.00 0.00 55.69 53.25 1jiq s MET 338 Cb -0.17 -3.07 0.16 0.00 2.01 0.00 0.00 34.83 33.76 1jiq s MET 338 CO 0.14 -0.48 0.42 -0.51 -0.01 0.00 0.00 175.02 174.59 1jiq s LEU 339 N 1.31 3.86 -0.06 -0.03 1.43 0.16 -4.11 118.68 121.25 1jiq s LEU 339 Ca -0.02 -3.51 -0.30 0.00 -1.03 0.00 0.00 54.13 49.28 1jiq s LEU 339 Cb -0.18 -1.33 -0.03 0.00 0.03 0.00 0.00 46.19 44.69 1jiq s LEU 339 CO -0.03 -0.13 1.17 -2.16 0.23 0.00 0.00 176.35 175.43 1jiq s PRO 340 N -0.87 4.37 -1.40 1.29 0.04 -1.26 -2.38 135.00 134.78 1jiq s PRO 340 Ca 0.25 1.63 -0.12 0.00 0.04 0.00 0.00 61.00 62.81 1jiq s PRO 340 Cb -0.06 -3.55 0.08 0.00 0.04 0.00 0.00 34.50 31.01 1jiq s PRO 340 CO -0.14 -0.42 2.17 0.66 0.04 0.00 0.00 177.00 179.31 1jiq n TYR 341 N 5.11 3.20 -3.23 0.56 4.02 0.12 -0.69 117.16 126.24 1jiq n TYR 341 Ca 0.10 -2.91 0.04 0.00 -0.01 0.00 0.00 57.90 55.12 1jiq n TYR 341 Cb 0.47 -2.31 -0.02 0.00 -0.02 0.00 0.00 39.34 37.46 1jiq n TYR 341 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 176.86 176.19 1jiq s ASP 342 N 2.17 -0.98 0.29 7.72 2.15 -1.21 -4.69 116.67 122.12 1jiq s ASP 342 Ca 0.46 0.76 -0.01 0.00 0.43 0.00 0.00 52.55 54.20 1jiq s ASP 342 Cb 0.13 1.88 0.44 0.00 -0.30 0.00 0.00 42.92 45.07 1jiq s ASP 342 CO -0.05 -0.18 1.87 -0.61 -0.17 0.00 0.00 175.17 176.02 1jiq h GLN 343 N 7.94 0.84 -0.17 4.34 5.75 -1.85 -1.80 115.11 130.17 1jiq h GLN 343 Ca -0.19 -0.14 0.03 0.00 -0.15 0.00 0.00 58.65 58.21 1jiq h GLN 343 Cb 1.15 -0.14 -0.01 0.00 1.07 0.00 0.00 27.48 29.55 1jiq h GLN 343 CO 0.11 0.71 0.12 1.88 -2.65 0.00 0.00 178.83 179.00 1jiq h TYR 344 N 0.83 0.08 -0.37 3.99 0.99 -1.90 -0.57 116.97 120.02 1jiq h TYR 344 Ca 0.19 0.00 -0.16 0.00 2.00 0.00 0.00 58.73 60.77 1jiq h TYR 344 Cb 0.20 -0.03 -0.09 0.00 1.00 0.00 0.00 36.73 37.81 1jiq h TYR 344 CO 0.01 0.04 0.20 1.28 -0.00 0.00 0.00 178.16 179.70 1jiq n LEU 345 N -4.50 4.14 0.31 3.88 4.77 -0.68 -2.62 117.00 122.30 1jiq n LEU 345 Ca 0.01 -2.14 0.21 0.00 -0.03 0.00 0.00 56.01 54.05 1jiq n LEU 345 Cb 0.19 -0.62 1.07 0.00 -2.33 0.00 0.00 43.42 41.73 1jiq n LEU 345 CO 0.35 0.64 1.12 1.12 -1.33 0.00 0.00 177.39 179.28 1jiq h HIS 346 N 0.75 0.00 -0.21 -1.77 2.07 -1.13 -1.80 115.15 113.06 1jiq h HIS 346 Ca 0.19 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.71 1jiq h HIS 346 Cb 1.60 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.58 1jiq h HIS 346 CO 0.61 0.00 0.00 0.54 -3.07 0.00 0.00 177.93 176.01 1jiq n ARG 347 N -2.97 2.61 -0.03 5.12 5.12 -1.26 -4.65 116.66 120.60 1jiq n ARG 347 Ca -0.02 -2.55 -0.12 0.00 -1.93 0.00 0.00 57.85 53.22 1jiq n ARG 347 Cb 0.10 -1.61 -0.07 0.00 -1.16 0.00 0.00 32.46 29.71 1jiq n ARG 347 CO 0.00 0.00 0.00 0.35 -1.93 0.00 0.00 177.63 176.05 1jiq h PHE 348 N 1.38 0.20 -0.58 -1.55 3.57 -1.66 -2.20 116.94 116.09 1jiq h PHE 348 Ca 0.00 -0.04 -0.09 0.00 3.53 0.00 0.00 57.97 61.37 1jiq h PHE 348 Cb 1.16 -0.05 -0.02 0.00 2.79 0.00 0.00 35.95 39.83 1jiq h PHE 348 CO 0.32 0.48 -0.01 0.00 -2.23 0.00 0.00 178.31 176.87 1jiq h ALA 349 N 0.69 0.89 -0.97 2.41 0.00 -1.83 -2.41 119.26 118.04 1jiq h ALA 349 Ca 0.02 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.63 1jiq h ALA 349 Cb 0.41 -0.22 -0.05 0.00 0.00 0.00 0.00 17.79 17.94 1jiq h ALA 349 CO 0.01 0.66 0.62 0.00 0.00 0.00 0.00 179.25 180.53 1jiq h ALA 350 N 1.05 1.27 -0.56 0.00 0.00 -1.85 -1.82 119.26 117.36 1jiq h ALA 350 Ca 0.17 -0.08 0.04 0.00 0.00 0.00 0.00 54.91 55.03 1jiq h ALA 350 Cb 0.55 -0.39 -0.04 0.00 0.00 0.00 0.00 17.79 17.90 1jiq h ALA 350 CO 0.03 0.66 0.31 -0.92 0.00 0.00 0.00 179.25 179.32 1jiq h TYR 351 N 1.32 0.57 0.00 0.00 3.20 -1.02 -2.12 116.97 118.92 1jiq h TYR 351 Ca 0.35 0.02 0.00 0.00 3.14 0.00 0.00 58.73 62.24 1jiq h TYR 351 Cb -0.12 -0.17 0.00 0.00 1.54 0.00 0.00 36.73 37.98 1jiq h TYR 351 CO 0.00 0.29 0.00 1.19 -1.64 0.00 0.00 178.16 178.01 1jiq n PHE 352 N -4.82 0.28 -0.12 -3.82 3.01 -0.89 -1.33 117.46 109.77 1jiq n PHE 352 Ca 0.05 0.09 -0.01 0.00 1.01 0.00 0.00 57.45 58.59 1jiq n PHE 352 Cb 0.12 -0.65 0.23 0.00 -0.01 0.00 0.00 39.48 39.17 1jiq n PHE 352 CO 0.00 0.00 0.00 1.96 1.01 0.00 0.00 176.76 179.73 1jiq h GLN 353 N 0.00 0.79 0.00 -1.08 4.20 -0.64 0.28 115.11 118.67 1jiq h GLN 353 Ca 0.00 -0.13 -0.01 0.00 0.06 0.00 0.00 58.65 58.56 1jiq h GLN 353 Cb 0.44 -0.13 -0.00 0.00 0.30 0.00 0.00 27.48 28.09 1jiq h GLN 353 CO 0.00 0.68 -0.07 0.37 -0.67 0.00 0.00 178.83 179.13 1jiq h GLN 354 N 0.78 0.00 -0.62 1.46 4.15 -1.34 -2.92 115.11 116.61 1jiq h GLN 354 Ca 0.18 0.00 0.10 0.00 0.77 0.00 0.00 58.65 59.70 1jiq h GLN 354 Cb 0.21 0.00 -0.08 0.00 0.21 0.00 0.00 27.48 27.82 1jiq h GLN 354 CO -0.01 0.65 0.21 0.78 -1.93 0.00 0.00 178.83 178.53 1jiq h GLY 355 N -1.00 0.87 0.00 2.39 0.00 -1.12 -0.34 103.07 103.87 1jiq h GLY 355 Ca -0.02 -0.10 0.00 0.00 0.00 0.00 0.00 47.33 47.21 1jiq h GLY 355 CO -0.01 -0.05 -0.18 -1.80 0.00 0.00 0.00 176.54 174.49 1jiq h ASP 356 N 0.38 0.00 -0.51 0.19 1.82 -0.63 -3.32 116.42 114.35 1jiq h ASP 356 Ca 0.32 0.00 -0.07 0.00 -0.39 0.00 0.00 57.03 56.89 1jiq h ASP 356 Cb 0.43 0.00 -0.02 0.00 0.68 0.00 0.00 39.33 40.42 1jiq h ASP 356 CO -0.34 0.53 0.05 0.24 -1.61 0.00 0.00 179.24 178.11 1jiq h MET 357 N -0.87 0.92 0.00 0.28 0.00 -1.46 -0.09 114.93 113.71 1jiq h MET 357 Ca 0.00 -0.24 -0.09 0.00 0.00 0.00 0.00 59.70 59.37 1jiq h MET 357 Cb 0.18 -0.11 -0.01 0.00 0.00 0.00 0.00 31.60 31.66 1jiq h MET 357 CO 0.00 0.88 -0.44 1.49 0.00 0.00 0.00 176.91 178.84 1jiq h GLU 358 N 0.86 0.00 0.14 1.72 4.81 -1.14 0.79 114.58 121.75 1jiq h GLU 358 Ca 0.17 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.39 1jiq h GLU 358 Cb 0.43 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.82 1jiq h GLU 358 CO 0.02 0.44 -0.07 0.77 -0.73 0.00 0.00 179.01 179.44 1jiq h SER 359 N 0.00 -0.15 -0.27 1.04 0.02 -1.45 -3.40 113.55 109.34 1jiq h SER 359 Ca -0.00 -0.39 0.00 0.00 -0.84 0.00 0.00 61.79 60.55 1jiq h SER 359 Cb 1.10 0.04 0.00 0.00 0.14 0.00 0.00 62.40 63.68 1jiq h SER 359 CO 0.06 0.39 0.00 0.59 -1.14 0.00 0.00 176.83 176.73 1jiq n ASN 360 N -4.92 2.73 -4.26 3.07 3.02 -0.12 -4.11 115.26 110.67 1jiq n ASN 360 Ca -0.08 -1.84 -0.43 0.00 -0.03 0.00 0.00 54.58 52.20 1jiq n ASN 360 Cb 0.27 -0.18 0.00 0.00 -0.61 0.00 0.00 39.78 39.27 1jiq n ASN 360 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1jiq n GLY 361 N 0.69 3.39 3.23 7.41 0.00 0.27 -1.49 105.19 118.69 1jiq n GLY 361 Ca 0.11 -1.62 -0.13 0.00 0.00 0.00 0.00 46.02 44.38 1jiq n GLY 361 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1jiq s LYS 362 N 3.29 1.08 0.00 1.61 -0.14 -1.26 -4.96 119.74 119.36 1jiq s LYS 362 Ca 0.49 -1.52 0.00 0.00 -1.36 0.00 0.00 55.97 53.59 1jiq s LYS 362 Cb 0.06 -0.22 0.00 0.00 -1.68 0.00 0.00 37.83 36.00 1jiq s LYS 362 CO 0.01 -0.14 0.02 2.48 -0.76 0.00 0.00 175.35 176.97 1jiq n TYR 363 N -0.22 0.00 -4.28 3.18 0.18 -1.26 -4.70 117.16 110.05 1jiq n TYR 363 Ca -0.07 0.00 -0.34 0.00 1.88 0.00 0.00 57.90 59.37 1jiq n TYR 363 Cb 0.63 0.02 -0.14 0.00 -0.38 0.00 0.00 39.34 39.47 1jiq n TYR 363 CO 0.00 0.00 0.00 0.42 -2.08 0.00 0.00 176.86 175.20 1jiq s ILE 364 N 0.00 3.39 0.84 -3.48 -1.09 -1.26 -0.48 121.20 119.12 1jiq s ILE 364 Ca 0.00 -0.51 -0.14 0.00 -2.23 0.00 0.00 60.65 57.77 1jiq s ILE 364 Cb 0.00 -2.50 0.19 0.00 -1.58 0.00 0.00 42.46 38.58 1jiq s ILE 364 CO 0.00 0.47 1.15 0.35 -1.23 0.00 0.00 174.94 175.68 1jiq n THR 365 N 4.13 0.00 -0.15 2.92 -2.24 0.61 -4.54 114.28 115.02 1jiq n THR 365 Ca -0.18 -0.89 -0.03 0.00 -2.27 0.00 0.00 64.05 60.68 1jiq n THR 365 Cb 0.52 -1.54 0.18 0.00 -2.10 0.00 0.00 70.33 67.39 1jiq n THR 365 CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 1jiq h LYS 366 N 0.00 0.87 0.00 -0.78 3.64 -1.44 -1.98 116.57 116.88 1jiq h LYS 366 Ca -0.37 -0.17 0.00 0.00 -1.27 0.00 0.00 60.65 58.84 1jiq h LYS 366 Cb 1.04 -0.14 0.00 0.00 -0.41 0.00 0.00 32.23 32.72 1jiq h LYS 366 CO 0.27 0.76 0.00 -1.13 -2.27 0.00 0.00 179.45 177.08 1jiq n SER 367 N -4.28 0.00 0.00 4.20 3.41 -1.26 -4.86 113.62 110.83 1jiq n SER 367 Ca 0.04 0.42 0.00 0.00 -0.26 0.00 0.00 58.87 59.08 1jiq n SER 367 Cb 0.21 -0.47 0.00 0.00 -0.26 0.00 0.00 64.21 63.69 1jiq n SER 367 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1jiq n GLY 368 N 0.62 0.45 3.80 5.00 0.00 -0.74 -5.06 105.19 109.25 1jiq n GLY 368 Ca 0.06 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.72 1jiq n GLY 368 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1jiq s THR 369 N -2.15 4.33 0.40 2.61 2.01 -1.26 -4.72 115.64 116.86 1jiq s THR 369 Ca 0.00 1.63 -0.24 0.00 0.31 0.00 0.00 61.69 63.38 1jiq s THR 369 Cb 0.00 -3.90 -0.09 0.00 0.01 0.00 0.00 72.50 68.52 1jiq s THR 369 CO 0.00 0.08 1.09 -0.60 -0.69 0.00 0.00 174.62 174.49 1jiq s ARG 370 N -2.24 4.12 0.67 4.92 3.52 -1.26 -0.28 118.95 128.40 1jiq s ARG 370 Ca 0.51 1.62 -0.15 0.00 -0.13 0.00 0.00 55.73 57.57 1jiq s ARG 370 Cb -0.16 -2.59 0.01 0.00 -1.56 0.00 0.00 34.95 30.64 1jiq s ARG 370 CO 0.21 -0.20 1.14 0.14 -0.81 0.00 0.00 175.30 175.78 1jiq s VAL 371 N -1.57 3.00 -0.22 7.11 -7.23 0.37 -4.62 120.40 117.25 1jiq s VAL 371 Ca 0.57 0.48 0.13 0.00 -1.81 0.00 0.00 61.98 61.36 1jiq s VAL 371 Cb -0.25 -3.02 0.44 0.00 0.56 0.00 0.00 36.38 34.11 1jiq s VAL 371 CO 0.31 -0.27 1.19 -0.90 -0.31 0.00 0.00 175.10 175.12 1jiq n ASP 372 N -2.41 2.71 -3.85 4.85 5.75 -1.26 -5.00 116.55 117.34 1jiq n ASP 372 Ca 0.11 -3.44 -0.09 0.00 -0.01 0.00 0.00 54.79 51.35 1jiq n ASP 372 Cb 0.51 -0.43 -0.05 0.00 -1.03 0.00 0.00 41.12 40.13 1jiq n ASP 372 CO 0.00 0.00 0.00 -1.38 -0.11 0.00 0.00 177.20 175.71 1jiq s HIS 373 N -3.02 0.10 0.56 2.11 -3.43 -1.26 -5.00 115.29 105.35 1jiq s HIS 373 Ca 0.41 -0.46 -0.19 0.00 -0.80 0.00 0.00 55.06 54.02 1jiq s HIS 373 Cb 0.38 0.27 -0.05 0.00 -1.43 0.00 0.00 32.58 31.75 1jiq s HIS 373 CO -0.04 -0.91 1.13 -0.65 -2.00 0.00 0.00 174.74 172.27 1jiq s GLN 374 N -3.93 3.26 0.00 -0.38 -1.52 -1.26 -5.06 119.66 110.76 1jiq s GLN 374 Ca 0.14 1.58 0.00 0.00 -1.95 0.00 0.00 55.36 55.13 1jiq s GLN 374 Cb -0.00 -1.99 0.00 0.00 -0.22 0.00 0.00 33.01 30.79 1jiq s GLN 374 CO 0.01 -0.92 0.00 0.25 -0.25 0.00 0.00 175.29 174.38 1jiq n THR 375 N -1.49 0.00 -1.58 -0.19 -2.24 -1.26 -4.89 114.28 102.63 1jiq n THR 375 Ca 0.11 0.00 -0.41 0.00 -2.27 0.00 0.00 64.05 61.48 1jiq n THR 375 Cb 0.51 0.00 0.01 0.00 -2.10 0.00 0.00 70.33 68.75 1jiq n THR 375 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1jiq n GLY 376 N 5.00 -0.45 3.92 3.38 0.00 -0.55 -4.99 105.19 111.50 1jiq n GLY 376 Ca 0.00 0.12 -0.27 0.00 0.00 0.00 0.00 46.02 45.87 1jiq n GLY 376 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1jiq s PRO 377 N -1.95 2.57 -0.28 1.61 0.04 -1.26 -4.83 135.00 130.90 1jiq s PRO 377 Ca 0.64 -0.08 -0.25 0.00 0.04 0.00 0.00 61.00 61.35 1jiq s PRO 377 Cb -0.57 -2.20 0.00 0.00 0.04 0.00 0.00 34.50 31.78 1jiq s PRO 377 CO 0.57 -0.99 0.87 0.42 0.04 0.00 0.00 177.00 177.90 1jiq s ILE 378 N -3.15 4.75 -0.00 0.56 1.01 0.13 -4.70 121.20 119.81 1jiq s ILE 378 Ca 0.57 1.46 -0.16 0.00 0.00 0.00 0.00 60.65 62.52 1jiq s ILE 378 Cb -0.11 -4.19 -0.06 0.00 0.01 0.00 0.00 42.46 38.11 1jiq s ILE 378 CO 0.46 -0.23 0.44 -0.69 0.00 0.00 0.00 174.94 174.92 1jiq s VAL 379 N 3.05 5.00 0.32 2.92 1.01 -1.26 -0.99 120.40 130.45 1jiq s VAL 379 Ca 0.36 0.92 -0.16 0.00 0.00 0.00 0.00 61.98 63.09 1jiq s VAL 379 Cb -0.14 -3.76 0.03 0.00 0.00 0.00 0.00 36.38 32.51 1jiq s VAL 379 CO 0.11 0.54 0.69 -1.66 0.00 0.00 0.00 175.10 174.79 1jiq s TRP 380 N -0.87 0.10 0.00 5.22 1.48 -0.92 -4.78 118.94 119.17 1jiq s TRP 380 Ca 0.25 -0.61 0.00 0.00 -1.06 0.00 0.00 56.10 54.68 1jiq s TRP 380 Cb -0.17 0.63 0.00 0.00 -1.16 0.00 0.00 33.47 32.77 1jiq s TRP 380 CO 0.14 -1.32 0.00 0.41 -4.06 0.00 0.00 176.95 172.12 1jiq n GLY 381 N -0.48 3.44 3.12 3.67 0.00 -1.26 -1.02 105.19 112.66 1jiq n GLY 381 Ca -0.05 -1.41 -0.13 0.00 0.00 0.00 0.00 46.02 44.42 1jiq n GLY 381 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1jiq s GLU 382 N -2.34 0.70 0.61 1.61 0.41 -1.26 -4.81 118.70 113.62 1jiq s GLU 382 Ca 0.00 -1.00 -0.19 0.00 -0.41 0.00 0.00 54.97 53.37 1jiq s GLU 382 Cb 0.00 -0.39 -0.03 0.00 -1.78 0.00 0.00 34.13 31.93 1jiq s GLU 382 CO 0.00 0.06 1.27 -1.25 -0.49 0.00 0.00 175.26 174.85 1jiq s PRO 383 N -2.36 2.83 0.41 0.39 0.04 -1.26 -4.28 135.00 130.76 1jiq s PRO 383 Ca -0.01 2.00 -0.20 0.00 0.04 0.00 0.00 61.00 62.83 1jiq s PRO 383 Cb -0.05 -1.95 -0.10 0.00 0.04 0.00 0.00 34.50 32.43 1jiq s PRO 383 CO -0.01 -1.36 0.90 0.20 0.04 0.00 0.00 177.00 176.77 1jiq s GLY 384 N -1.40 2.37 0.00 0.56 0.00 0.13 -1.09 107.32 107.89 1jiq s GLY 384 Ca 0.79 0.32 0.25 0.00 0.00 0.00 0.00 44.72 46.07 1jiq s GLY 384 CO 0.38 0.58 1.73 -1.30 0.00 0.00 0.00 173.10 174.49 1jiq n THR 385 N -0.60 0.07 -0.04 0.90 -2.24 -1.26 -3.35 114.28 107.77 1jiq n THR 385 Ca 0.06 -0.23 -0.08 0.00 -2.27 0.00 0.00 64.05 61.53 1jiq n THR 385 Cb 0.54 0.25 -0.02 0.00 -2.10 0.00 0.00 70.33 69.00 1jiq n THR 385 CO 0.00 0.00 0.00 0.78 -0.57 0.00 0.00 175.07 175.28 1jiq h ASN 386 N 1.78 -0.46 -0.34 3.42 2.35 -1.69 -1.77 115.58 118.87 1jiq h ASN 386 Ca 0.00 0.10 -0.05 0.00 -0.55 0.00 0.00 56.30 55.80 1jiq h ASN 386 Cb 0.38 0.24 -0.02 0.00 0.05 0.00 0.00 38.32 38.97 1jiq h ASN 386 CO 0.00 -0.18 0.05 1.23 -1.65 0.00 0.00 177.43 176.88 1jiq h GLY 387 N -0.14 0.71 0.60 2.83 0.00 -1.29 -1.89 103.07 103.89 1jiq h GLY 387 Ca 0.12 -0.42 0.11 0.00 0.00 0.00 0.00 47.33 47.14 1jiq h GLY 387 CO -0.30 0.40 0.60 -1.61 0.00 0.00 0.00 176.54 175.63 1jiq h GLN 388 N 0.64 0.86 -0.57 4.80 4.15 -1.59 -0.14 115.11 123.26 1jiq h GLN 388 Ca 0.14 -0.05 0.00 0.00 0.77 0.00 0.00 58.65 59.51 1jiq h GLN 388 Cb 0.33 -0.19 0.00 0.00 0.21 0.00 0.00 27.48 27.82 1jiq h GLN 388 CO 0.01 0.57 0.00 0.72 -1.93 0.00 0.00 178.83 178.20 1jiq n HIS 389 N -4.56 0.89 0.00 3.99 8.25 -0.74 -4.00 115.22 119.05 1jiq n HIS 389 Ca 0.17 -0.39 -0.02 0.00 -0.26 0.00 0.00 57.72 57.22 1jiq n HIS 389 Cb 0.36 -0.10 -0.01 0.00 1.12 0.00 0.00 29.99 31.36 1jiq n HIS 389 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1jiq n ALA 390 N 0.87 2.21 -0.19 -1.41 0.00 -0.16 -4.96 120.51 116.86 1jiq n ALA 390 Ca 0.18 -0.24 0.00 0.00 0.00 0.00 0.00 53.44 53.38 1jiq n ALA 390 Cb 0.56 0.14 0.00 0.00 0.00 0.00 0.00 19.45 20.14 1jiq n ALA 390 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 177.50 179.47 1jiq n PHE 391 N -3.55 0.00 0.26 0.00 1.16 -0.63 -4.72 117.46 109.98 1jiq n PHE 391 Ca -0.04 -0.27 0.13 0.00 -1.87 0.00 0.00 57.45 55.41 1jiq n PHE 391 Cb 0.14 -0.03 0.64 0.00 -1.61 0.00 0.00 39.48 38.63 1jiq n PHE 391 CO 0.00 0.00 0.00 1.88 -1.87 0.00 0.00 176.76 176.77 1jiq h TYR 392 N 0.00 0.00 -0.88 2.97 -1.99 -1.69 -2.32 116.97 113.05 1jiq h TYR 392 Ca 0.00 0.00 0.18 0.00 2.00 0.00 0.00 58.73 60.91 1jiq h TYR 392 Cb 0.42 0.00 -0.11 0.00 2.00 0.00 0.00 36.73 39.05 1jiq h TYR 392 CO 0.00 0.13 0.44 0.37 -0.00 0.00 0.00 178.16 179.09 1jiq h GLN 393 N 0.00 0.53 -0.30 4.88 5.75 -1.84 0.38 115.11 124.51 1jiq h GLN 393 Ca -0.00 -0.03 -0.18 0.00 -0.15 0.00 0.00 58.65 58.29 1jiq h GLN 393 Cb 0.52 -0.12 -0.00 0.00 1.07 0.00 0.00 27.48 28.95 1jiq h GLN 393 CO 0.02 0.35 -0.52 1.25 -2.65 0.00 0.00 178.83 177.28 1jiq h LEU 394 N 0.55 0.96 -1.01 -2.39 6.46 -1.78 0.56 115.31 118.65 1jiq h LEU 394 Ca 0.51 -0.50 -0.05 0.00 -0.12 0.00 0.00 57.88 57.73 1jiq h LEU 394 Cb 0.84 -0.27 -0.03 0.00 -0.73 0.00 0.00 40.66 40.47 1jiq h LEU 394 CO -0.43 1.29 0.18 0.40 -0.62 0.00 0.00 178.44 179.27 1jiq h ILE 395 N 0.67 1.23 0.22 4.05 2.04 -1.10 0.98 117.51 125.60 1jiq h ILE 395 Ca 0.02 -0.78 -0.34 0.00 1.00 0.00 0.00 64.86 64.75 1jiq h ILE 395 Cb 1.12 0.57 0.02 0.00 -0.74 0.00 0.00 36.82 37.80 1jiq h ILE 395 CO 0.12 0.30 -1.61 0.45 0.00 0.00 0.00 178.15 177.41 1jiq h HIS 396 N 0.87 0.85 0.00 1.37 3.86 -0.89 -3.41 115.15 117.80 1jiq h HIS 396 Ca 0.20 -0.62 0.00 0.00 -1.16 0.00 0.00 60.37 58.78 1jiq h HIS 396 Cb 0.25 -0.03 0.00 0.00 1.06 0.00 0.00 27.41 28.69 1jiq h HIS 396 CO 0.02 1.61 -0.12 1.04 0.86 0.00 0.00 177.93 181.34 1jiq n GLN 397 N -3.65 1.18 -0.22 2.45 6.02 0.18 -4.54 117.38 118.79 1jiq n GLN 397 Ca -0.20 -1.59 0.00 0.00 -0.01 0.00 0.00 57.00 55.20 1jiq n GLN 397 Cb 1.09 -0.97 0.00 0.00 1.02 0.00 0.00 30.24 31.38 1jiq n GLN 397 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1jiq n GLY 398 N -0.63 0.27 0.51 1.08 0.00 0.34 -4.94 105.19 101.82 1jiq n GLY 398 Ca 0.06 -1.84 0.06 0.00 0.00 0.00 0.00 46.02 44.30 1jiq n GLY 398 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1jiq n THR 399 N -0.81 1.48 -4.74 2.61 -2.24 -1.26 -4.99 114.28 104.32 1jiq n THR 399 Ca 0.00 -1.41 -0.33 0.00 -2.27 0.00 0.00 64.05 60.04 1jiq n THR 399 Cb 0.00 0.19 -0.12 0.00 -2.10 0.00 0.00 70.33 68.30 1jiq n THR 399 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1jiq s LYS 400 N -1.75 2.71 -0.12 -0.78 3.01 -1.26 -5.09 119.74 116.45 1jiq s LYS 400 Ca 0.25 -0.62 -0.22 0.00 -1.01 0.00 0.00 55.97 54.37 1jiq s LYS 400 Cb 0.18 -2.51 -0.03 0.00 -1.01 0.00 0.00 37.83 34.45 1jiq s LYS 400 CO 0.09 0.61 0.67 1.41 0.51 0.00 0.00 175.35 178.63 1jiq s MET 401 N -0.67 4.35 -0.30 1.68 -2.45 -1.26 -4.95 119.30 115.70 1jiq s MET 401 Ca 0.10 0.77 -0.02 0.00 -1.25 0.00 0.00 55.69 55.29 1jiq s MET 401 Cb -0.11 -3.50 0.10 0.00 1.25 0.00 0.00 34.83 32.57 1jiq s MET 401 CO 0.01 -0.05 0.11 0.42 1.05 0.00 0.00 175.02 176.55 1jiq s ILE 402 N 1.25 0.53 0.22 10.11 1.01 -1.26 -4.72 121.20 128.33 1jiq s ILE 402 Ca 0.34 -1.14 -0.32 0.00 0.00 0.00 0.00 60.65 59.52 1jiq s ILE 402 Cb -0.17 -1.40 -0.12 0.00 0.01 0.00 0.00 42.46 40.78 1jiq s ILE 402 CO 0.14 -0.68 1.66 -2.65 0.00 0.00 0.00 174.94 173.41 1jiq n PRO 403 N 5.00 2.60 -4.95 2.79 -0.02 -1.26 -4.81 135.00 134.35 1jiq n PRO 403 Ca -0.04 0.94 -0.27 0.00 -2.02 0.00 0.00 63.50 62.11 1jiq n PRO 403 Cb 0.42 -2.75 -0.16 0.00 -0.02 0.00 0.00 33.50 31.00 1jiq n PRO 403 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1jiq s ASP 405 N -0.29 5.56 -0.21 0.00 1.01 0.07 -0.95 116.67 121.86 1jiq s ASP 405 Ca 0.03 -0.50 -0.11 0.00 0.71 0.00 0.00 52.55 52.68 1jiq s ASP 405 Cb -0.09 -2.00 -0.05 0.00 1.01 0.00 0.00 42.92 41.78 1jiq s ASP 405 CO 0.00 -0.19 0.19 -0.36 0.21 0.00 0.00 175.17 175.03 1jiq s PHE 406 N 1.62 3.37 0.08 4.23 0.40 0.06 -0.66 117.98 127.08 1jiq s PHE 406 Ca 0.05 0.35 0.07 0.00 -0.60 0.00 0.00 56.93 56.80 1jiq s PHE 406 Cb -0.17 -2.27 -0.03 0.00 0.51 0.00 0.00 43.02 41.06 1jiq s PHE 406 CO 0.06 0.15 -0.18 -0.51 0.70 0.00 0.00 175.22 175.45 1jiq s LEU 407 N 0.78 2.27 -0.25 -0.37 1.02 -1.00 -0.19 118.68 120.94 1jiq s LEU 407 Ca 0.10 -0.63 -0.26 0.00 0.02 0.00 0.00 54.13 53.36 1jiq s LEU 407 Cb -0.13 -0.72 0.12 0.00 0.02 0.00 0.00 46.19 45.48 1jiq s LEU 407 CO 0.03 0.01 0.98 -0.51 0.02 0.00 0.00 176.35 176.87 1jiq s ILE 408 N -1.17 0.00 0.12 -0.59 2.07 -0.84 0.15 121.20 120.94 1jiq s ILE 408 Ca 0.03 0.00 -0.24 0.00 -1.41 0.00 0.00 60.65 59.03 1jiq s ILE 408 Cb -0.10 -1.00 -0.07 0.00 0.13 0.00 0.00 42.46 41.42 1jiq s ILE 408 CO 0.03 0.00 0.73 -2.16 -1.91 0.00 0.00 174.94 171.63 1jiq s PRO 409 N -0.05 4.47 0.13 3.50 0.04 -1.26 -1.95 135.00 139.89 1jiq s PRO 409 Ca 0.01 1.04 -0.16 0.00 0.04 0.00 0.00 61.00 61.94 1jiq s PRO 409 Cb -0.04 -3.27 -0.01 0.00 0.04 0.00 0.00 34.50 31.22 1jiq s PRO 409 CO -0.03 0.54 1.69 0.28 0.04 0.00 0.00 177.00 179.51 1jiq h VAL 410 N 3.50 1.19 -3.55 -0.36 2.07 -0.74 -3.42 116.25 114.94 1jiq h VAL 410 Ca -0.47 -0.58 -0.63 0.00 0.82 0.00 0.00 66.70 65.84 1jiq h VAL 410 Cb 1.21 0.83 -0.16 0.00 -1.52 0.00 0.00 31.29 31.65 1jiq h VAL 410 CO 0.66 0.21 -0.54 -1.10 0.02 0.00 0.00 177.57 176.82 1jiq s GLN 411 N -5.58 3.96 0.35 1.57 -0.21 -0.06 -5.04 119.66 114.65 1jiq s GLN 411 Ca -0.13 -0.33 -0.15 0.00 0.02 0.00 0.00 55.36 54.77 1jiq s GLN 411 Cb 0.10 -3.43 -0.09 0.00 1.00 0.00 0.00 33.01 30.59 1jiq s GLN 411 CO 0.75 0.05 0.78 -0.08 -2.12 0.00 0.00 175.29 174.66 1jiq s THR 412 N 1.05 4.65 -0.35 -0.19 -1.32 -1.26 -4.45 115.64 113.76 1jiq s THR 412 Ca 0.06 0.99 0.27 0.00 -1.21 0.00 0.00 61.69 61.80 1jiq s THR 412 Cb -0.14 -3.63 0.32 0.00 -1.51 0.00 0.00 72.50 67.55 1jiq s THR 412 CO 0.04 -0.26 1.78 1.56 -2.21 0.00 0.00 174.62 175.53 1jiq h GLN 413 N 2.03 0.00 -2.57 7.08 1.08 -1.98 -3.38 115.11 117.38 1jiq h GLN 413 Ca -0.48 0.00 -0.60 0.00 -1.45 0.00 0.00 58.65 56.12 1jiq h GLN 413 Cb 1.18 0.00 -0.39 0.00 -0.05 0.00 0.00 27.48 28.21 1jiq h GLN 413 CO 0.64 0.00 -0.85 0.72 -0.95 0.00 0.00 178.83 178.40 1jiq n HIS 414 N -2.72 0.48 -0.81 2.96 8.25 -1.26 -5.01 115.22 117.11 1jiq n HIS 414 Ca 0.03 -3.64 -0.11 0.00 -0.26 0.00 0.00 57.72 53.74 1jiq n HIS 414 Cb 0.37 -0.05 -0.13 0.00 1.12 0.00 0.00 29.99 31.31 1jiq n HIS 414 CO 0.00 0.00 0.00 -0.35 0.64 0.00 0.00 176.34 176.63 1jiq n PRO 415 N 2.48 1.67 -1.04 -0.41 -0.04 -1.26 -4.89 135.00 131.51 1jiq n PRO 415 Ca 0.27 -0.86 -0.31 0.00 -0.04 0.00 0.00 63.50 62.56 1jiq n PRO 415 Cb 0.44 -1.94 0.13 0.00 -0.04 0.00 0.00 33.50 32.09 1jiq n PRO 415 CO 0.00 0.00 0.00 0.96 -0.04 0.00 0.00 175.50 176.42 1jiq s ILE 416 N 1.49 2.74 -1.85 0.52 -4.36 -1.26 -2.84 121.20 115.64 1jiq s ILE 416 Ca 0.53 0.24 0.00 0.00 -0.26 0.00 0.00 60.65 61.16 1jiq s ILE 416 Cb 0.25 -2.56 0.00 0.00 1.25 0.00 0.00 42.46 41.39 1jiq s ILE 416 CO -0.00 -0.31 0.00 0.54 0.24 0.00 0.00 174.94 175.40 1jiq n ARG 417 N -3.90 -1.55 -2.39 0.37 5.12 -1.26 -0.36 116.66 112.70 1jiq n ARG 417 Ca 0.09 1.04 -0.12 0.00 -1.93 0.00 0.00 57.85 56.93 1jiq n ARG 417 Cb 0.53 -5.49 0.00 0.00 -1.16 0.00 0.00 32.46 26.35 1jiq n ARG 417 CO 0.00 0.00 0.00 1.63 -1.93 0.00 0.00 177.63 177.33 1jiq n LYS 418 N -2.48 -1.59 -0.27 5.56 4.76 -1.22 -3.28 118.16 119.65 1jiq n LYS 418 Ca -0.20 0.56 0.00 0.00 -2.87 0.00 0.00 58.31 55.80 1jiq n LYS 418 Cb 0.63 -4.68 0.00 0.00 -1.84 0.00 0.00 35.03 29.14 1jiq n LYS 418 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1jiq n GLY 419 N -1.07 0.73 0.20 0.72 0.00 0.51 -4.97 105.19 101.31 1jiq n GLY 419 Ca -0.12 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 45.89 1jiq n GLY 419 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1jiq h LEU 420 N 0.00 -0.03 -0.46 0.99 5.85 -1.52 -0.36 115.31 119.77 1jiq h LEU 420 Ca 0.00 0.10 -0.02 0.00 0.84 0.00 0.00 57.88 58.80 1jiq h LEU 420 Cb 0.00 0.14 -0.02 0.00 0.37 0.00 0.00 40.66 41.15 1jiq h LEU 420 CO 0.00 0.01 0.22 0.45 -0.34 0.00 0.00 178.44 178.77 1jiq h HIS 421 N 0.22 0.66 -0.10 1.25 3.86 -1.88 -2.08 115.15 117.07 1jiq h HIS 421 Ca 0.26 -0.03 -0.10 0.00 -1.16 0.00 0.00 60.37 59.34 1jiq h HIS 421 Cb 0.37 -0.20 -0.01 0.00 1.06 0.00 0.00 27.41 28.62 1jiq h HIS 421 CO -0.25 0.54 -0.39 1.25 0.86 0.00 0.00 177.93 179.94 1jiq h HIS 422 N 0.59 0.26 -0.54 2.45 -0.00 -1.77 -0.68 115.15 115.46 1jiq h HIS 422 Ca 0.16 -0.07 -0.03 0.00 -0.00 0.00 0.00 60.37 60.43 1jiq h HIS 422 Cb 0.13 -0.06 -0.02 0.00 -0.00 0.00 0.00 27.41 27.45 1jiq h HIS 422 CO -0.01 0.59 0.21 -0.22 -0.00 0.00 0.00 177.93 178.50 1jiq h LYS 423 N 0.19 0.81 -0.47 5.26 3.64 -0.71 0.75 116.57 126.05 1jiq h LYS 423 Ca 0.02 -0.15 -0.09 0.00 -1.27 0.00 0.00 60.65 59.16 1jiq h LYS 423 Cb 0.78 -0.13 -0.02 0.00 -0.41 0.00 0.00 32.23 32.46 1jiq h LYS 423 CO 0.06 0.71 -0.06 0.82 -2.27 0.00 0.00 179.45 178.71 1jiq h ILE 424 N 0.74 1.27 -0.20 2.00 2.04 -1.01 -0.52 117.51 121.82 1jiq h ILE 424 Ca 0.18 -1.17 0.01 0.00 1.00 0.00 0.00 64.86 64.89 1jiq h ILE 424 Cb 0.21 1.07 -0.02 0.00 -0.74 0.00 0.00 36.82 37.34 1jiq h ILE 424 CO -0.01 0.40 0.10 0.25 0.00 0.00 0.00 178.15 178.89 1jiq h LEU 425 N 0.72 0.15 -0.63 1.44 5.85 -0.93 -1.19 115.31 120.72 1jiq h LEU 425 Ca 0.13 0.01 -0.02 0.00 0.84 0.00 0.00 57.88 58.84 1jiq h LEU 425 Cb 0.60 -0.02 -0.03 0.00 0.37 0.00 0.00 40.66 41.58 1jiq h LEU 425 CO 0.04 0.12 0.33 -0.07 -0.34 0.00 0.00 178.44 178.52 1jiq h LEU 426 N 0.21 0.80 -1.22 2.25 3.38 -0.65 -0.85 115.31 119.23 1jiq h LEU 426 Ca 0.08 -0.10 0.01 0.00 0.09 0.00 0.00 57.88 57.95 1jiq h LEU 426 Cb 0.02 -0.20 -0.04 0.00 0.09 0.00 0.00 40.66 40.53 1jiq h LEU 426 CO -0.05 0.67 0.51 0.00 0.09 0.00 0.00 178.44 179.66 1jiq h ALA 427 N 1.16 1.43 -0.12 1.53 0.00 -0.59 -1.05 119.26 121.61 1jiq h ALA 427 Ca 0.22 -0.06 -0.20 0.00 0.00 0.00 0.00 54.91 54.87 1jiq h ALA 427 Cb 0.06 -0.32 0.01 0.00 0.00 0.00 0.00 17.79 17.55 1jiq h ALA 427 CO -0.03 0.52 -0.70 -0.91 0.00 0.00 0.00 179.25 178.14 1jiq h ASN 428 N 1.06 0.83 -0.69 0.00 2.35 -0.88 -0.65 115.58 117.60 1jiq h ASN 428 Ca 0.28 -0.64 0.12 0.00 -0.55 0.00 0.00 56.30 55.51 1jiq h ASN 428 Cb -0.11 -0.24 -0.08 0.00 0.05 0.00 0.00 38.32 37.93 1jiq h ASN 428 CO -0.06 1.34 0.26 0.15 -1.65 0.00 0.00 177.43 177.47 1jiq h PHE 429 N 0.37 0.45 -0.05 1.19 3.57 -0.67 -0.85 116.94 120.95 1jiq h PHE 429 Ca -0.05 0.03 -0.06 0.00 3.53 0.00 0.00 57.97 61.42 1jiq h PHE 429 Cb 1.34 -0.10 0.00 0.00 2.79 0.00 0.00 35.95 39.98 1jiq h PHE 429 CO 0.10 0.08 -0.22 -0.07 -2.23 0.00 0.00 178.31 175.97 1jiq h LEU 430 N 0.43 0.28 -1.08 0.59 3.38 -1.18 -3.31 115.31 114.42 1jiq h LEU 430 Ca 0.36 -0.65 -0.04 0.00 0.09 0.00 0.00 57.88 57.64 1jiq h LEU 430 Cb 0.51 -0.08 -0.03 0.00 0.09 0.00 0.00 40.66 41.15 1jiq h LEU 430 CO -0.36 0.88 0.18 0.00 0.09 0.00 0.00 178.44 179.23 1jiq h ALA 431 N 0.40 1.27 -0.42 1.53 0.00 -0.91 -2.05 119.26 119.08 1jiq h ALA 431 Ca -0.01 -0.18 -0.03 0.00 0.00 0.00 0.00 54.91 54.69 1jiq h ALA 431 Cb 0.87 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.42 1jiq h ALA 431 CO 0.05 0.53 0.15 1.96 0.00 0.00 0.00 179.25 181.93 1jiq h GLN 432 N 0.81 0.65 -0.06 0.00 1.08 -1.26 0.23 115.11 116.56 1jiq h GLN 432 Ca 0.19 -0.13 -0.14 0.00 -1.45 0.00 0.00 58.65 57.11 1jiq h GLN 432 Cb 0.23 -0.10 -0.01 0.00 -0.05 0.00 0.00 27.48 27.55 1jiq h GLN 432 CO -0.01 0.62 -0.60 1.79 -0.95 0.00 0.00 178.83 179.68 1jiq h THR 433 N 0.54 1.39 -0.47 -0.54 1.35 -1.60 -0.37 112.91 113.21 1jiq h THR 433 Ca 0.14 -1.98 -0.01 0.00 -0.55 0.00 0.00 66.41 64.01 1jiq h THR 433 Cb 0.23 2.01 -0.02 0.00 -1.73 0.00 0.00 68.15 68.63 1jiq h THR 433 CO -0.01 0.58 0.26 -0.08 -0.25 0.00 0.00 175.52 176.03 1jiq h GLU 434 N 0.15 0.66 -0.26 4.72 4.81 -1.08 -1.78 114.58 121.81 1jiq h GLU 434 Ca -0.01 -0.07 -0.07 0.00 -0.13 0.00 0.00 59.36 59.08 1jiq h GLU 434 Cb 1.09 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 30.33 1jiq h GLU 434 CO 0.09 0.51 -0.11 0.00 -0.73 0.00 0.00 179.01 178.78 1jiq h ALA 435 N 1.11 0.36 -0.92 2.92 0.00 -0.28 0.61 119.26 123.06 1jiq h ALA 435 Ca 0.17 -0.30 0.08 0.00 0.00 0.00 0.00 54.91 54.85 1jiq h ALA 435 Cb 0.04 -0.09 -0.07 0.00 0.00 0.00 0.00 17.79 17.68 1jiq h ALA 435 CO -0.03 0.22 0.57 -0.07 0.00 0.00 0.00 179.25 179.94 1jiq h LEU 436 N 0.27 0.89 0.06 0.00 3.38 -1.00 0.21 115.31 119.11 1jiq h LEU 436 Ca 0.06 0.02 -0.00 0.00 0.09 0.00 0.00 57.88 58.05 1jiq h LEU 436 Cb 0.61 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.20 1jiq h LEU 436 CO 0.03 0.55 -0.03 -0.03 0.09 0.00 0.00 178.44 179.05 1jiq h MET 437 N 1.01 -0.08 0.09 1.13 4.05 -1.07 -0.37 114.93 119.69 1jiq h MET 437 Ca 0.41 0.01 -0.27 0.00 -0.28 0.00 0.00 59.70 59.56 1jiq h MET 437 Cb 0.24 0.02 0.02 0.00 -0.80 0.00 0.00 31.60 31.08 1jiq h MET 437 CO -0.20 0.48 -1.16 0.00 0.23 0.00 0.00 176.91 176.26 1jiq h ARG 438 N -0.74 0.48 0.00 0.39 2.47 -0.72 -1.56 114.38 114.69 1jiq h ARG 438 Ca -0.01 -0.64 0.00 0.00 -1.26 0.00 0.00 59.98 58.08 1jiq h ARG 438 Cb 0.60 0.21 0.00 0.00 -1.65 0.00 0.00 29.97 29.13 1jiq h ARG 438 CO 0.01 1.26 0.00 0.41 0.56 0.00 0.00 179.97 182.22 1jiq n GLY 439 N 1.30 0.22 3.05 0.04 0.00 0.05 -4.74 105.19 105.11 1jiq n GLY 439 Ca -0.10 -0.92 -0.08 0.00 0.00 0.00 0.00 46.02 44.92 1jiq n GLY 439 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1jiq s LYS 440 N 0.00 0.36 0.93 1.61 2.20 -0.25 -4.90 119.74 119.70 1jiq s LYS 440 Ca 0.00 0.74 -0.12 0.00 -0.36 0.00 0.00 55.97 56.23 1jiq s LYS 440 Cb 0.00 -0.12 0.15 0.00 -1.51 0.00 0.00 37.83 36.35 1jiq s LYS 440 CO 0.00 -0.51 1.09 -1.54 -0.36 0.00 0.00 175.35 174.03 1jiq s SER 441 N 2.60 3.17 0.26 1.43 1.04 -1.26 -1.04 113.70 119.90 1jiq s SER 441 Ca 0.09 1.33 -0.03 0.00 0.48 0.00 0.00 55.95 57.82 1jiq s SER 441 Cb -0.14 -2.00 0.40 0.00 0.10 0.00 0.00 66.02 64.37 1jiq s SER 441 CO -0.15 -2.81 1.87 0.74 0.98 0.00 0.00 173.24 173.87 1jiq h THR 442 N -1.67 1.07 -0.40 2.02 2.02 -1.94 -0.85 112.91 113.16 1jiq h THR 442 Ca -0.51 -0.39 0.01 0.00 0.77 0.00 0.00 66.41 66.28 1jiq h THR 442 Cb 1.30 -0.16 -0.02 0.00 -1.74 0.00 0.00 68.15 67.53 1jiq h THR 442 CO 0.56 0.21 0.26 -0.08 0.37 0.00 0.00 175.52 176.84 1jiq h GLU 443 N 1.13 0.52 -0.43 6.66 4.81 -1.98 0.61 114.58 125.89 1jiq h GLU 443 Ca 0.42 -0.03 -0.05 0.00 -0.13 0.00 0.00 59.36 59.58 1jiq h GLU 443 Cb 0.18 -0.12 -0.02 0.00 0.63 0.00 0.00 28.75 29.43 1jiq h GLU 443 CO -0.18 0.34 0.08 0.93 -0.73 0.00 0.00 179.01 179.46 1jiq h GLU 444 N 0.53 0.70 0.05 1.92 5.08 -1.80 -0.74 114.58 120.33 1jiq h GLU 444 Ca 0.15 -0.18 -0.00 0.00 -1.00 0.00 0.00 59.36 58.33 1jiq h GLU 444 Cb -0.05 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.12 1jiq h GLU 444 CO -0.04 0.73 -0.02 0.00 -1.00 0.00 0.00 179.01 178.67 1jiq h ALA 445 N 0.95 -0.07 -0.79 3.43 0.00 -0.87 -1.98 119.26 119.93 1jiq h ALA 445 Ca 0.13 -0.16 0.18 0.00 0.00 0.00 0.00 54.91 55.06 1jiq h ALA 445 Cb 0.35 0.03 -0.11 0.00 0.00 0.00 0.00 17.79 18.06 1jiq h ALA 445 CO 0.01 -0.39 0.25 -0.09 0.00 0.00 0.00 179.25 179.03 1jiq h ARG 446 N -0.37 0.31 -0.56 0.00 2.43 0.32 0.22 114.38 116.72 1jiq h ARG 446 Ca -0.01 -0.02 -0.09 0.00 -0.81 0.00 0.00 59.98 59.06 1jiq h ARG 446 Cb 0.34 -0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 29.79 1jiq h ARG 446 CO 0.01 0.21 0.00 -0.22 -1.51 0.00 0.00 179.97 178.46 1jiq h LYS 447 N 0.32 0.96 -0.31 0.20 3.64 -0.88 -1.04 116.57 119.45 1jiq h LYS 447 Ca 0.46 -0.28 -0.15 0.00 -1.27 0.00 0.00 60.65 59.40 1jiq h LYS 447 Cb 0.81 -0.10 -0.00 0.00 -0.41 0.00 0.00 32.23 32.53 1jiq h LYS 447 CO -0.51 0.94 -0.40 0.93 -2.27 0.00 0.00 179.45 178.14 1jiq h GLU 448 N 0.88 0.82 0.46 1.90 5.08 -0.32 -1.90 114.58 121.50 1jiq h GLU 448 Ca 0.16 -0.47 -0.01 0.00 -1.00 0.00 0.00 59.36 58.04 1jiq h GLU 448 Cb 0.51 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.79 1jiq h GLU 448 CO 0.03 1.10 -0.32 -0.07 -1.00 0.00 0.00 179.01 178.74 1jiq h LEU 449 N 0.59 -0.83 -0.81 1.33 3.38 -0.37 0.30 115.31 118.89 1jiq h LEU 449 Ca 0.04 0.06 0.13 0.00 0.09 0.00 0.00 57.88 58.20 1jiq h LEU 449 Cb 0.99 0.26 -0.09 0.00 0.09 0.00 0.00 40.66 41.91 1jiq h LEU 449 CO 0.09 -0.49 0.40 -0.61 0.09 0.00 0.00 178.44 177.93 1jiq h GLN 450 N -0.76 0.59 0.00 1.13 4.15 -1.24 0.45 115.11 119.42 1jiq h GLN 450 Ca -0.05 -0.04 -0.01 0.00 0.77 0.00 0.00 58.65 59.33 1jiq h GLN 450 Cb 0.64 -0.13 -0.00 0.00 0.21 0.00 0.00 27.48 28.20 1jiq h GLN 450 CO 0.02 0.39 -0.04 0.00 -1.93 0.00 0.00 178.83 177.27 1jiq h ALA 451 N 1.53 1.04 -0.17 3.38 0.00 -0.84 -2.52 119.26 121.69 1jiq h ALA 451 Ca 0.43 -0.04 -0.16 0.00 0.00 0.00 0.00 54.91 55.14 1jiq h ALA 451 Cb 0.58 -0.01 0.01 0.00 0.00 0.00 0.00 17.79 18.37 1jiq h ALA 451 CO -0.35 0.05 -0.54 0.00 0.00 0.00 0.00 179.25 178.42 1jiq h ALA 452 N 1.96 0.29 0.00 0.00 0.00 0.12 -3.48 119.26 118.16 1jiq h ALA 452 Ca -0.00 -0.51 0.00 0.00 0.00 0.00 0.00 54.91 54.40 1jiq h ALA 452 Cb 0.40 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.16 1jiq h ALA 452 CO 0.01 0.49 0.00 0.41 0.00 0.00 0.00 179.25 180.16 1jiq n GLY 453 N 0.58 1.01 3.78 0.00 0.00 -0.95 -5.12 105.19 104.49 1jiq n GLY 453 Ca -0.07 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.58 1jiq n GLY 453 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1jiq s LYS 454 N 0.00 4.38 0.61 1.61 1.02 -1.17 -5.03 119.74 121.17 1jiq s LYS 454 Ca 0.00 1.49 -0.15 0.00 0.02 0.00 0.00 55.97 57.33 1jiq s LYS 454 Cb 0.00 -2.73 -0.03 0.00 -0.52 0.00 0.00 37.83 34.55 1jiq s LYS 454 CO 0.00 0.06 1.07 -1.54 -0.92 0.00 0.00 175.35 174.02 1jiq s SER 455 N -1.48 5.60 0.33 2.83 1.04 -1.26 -4.68 113.70 116.08 1jiq s SER 455 Ca 0.53 1.86 0.11 0.00 0.48 0.00 0.00 55.95 58.93 1jiq s SER 455 Cb -0.22 -2.54 0.96 0.00 0.10 0.00 0.00 66.02 64.32 1jiq s SER 455 CO 0.28 -1.29 1.71 -0.65 0.98 0.00 0.00 173.24 174.27 1jiq h PRO 456 N 0.30 0.48 0.23 4.02 0.11 -1.97 1.61 132.00 136.78 1jiq h PRO 456 Ca -0.47 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 65.60 1jiq h PRO 456 Cb 1.23 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 32.23 1jiq h PRO 456 CO 0.57 0.32 -0.11 0.93 -0.21 0.00 0.00 178.00 179.49 1jiq h GLU 457 N 0.50 -0.30 0.00 1.05 5.08 -1.99 -0.12 114.58 118.80 1jiq h GLU 457 Ca 0.67 0.02 0.00 0.00 -1.00 0.00 0.00 59.36 59.05 1jiq h GLU 457 Cb 1.38 0.07 0.00 0.00 0.50 0.00 0.00 28.75 30.70 1jiq h GLU 457 CO -0.52 0.07 0.00 -0.44 -1.00 0.00 0.00 179.01 177.12 1jiq h ASP 458 N -0.75 0.00 0.05 1.42 5.19 -1.24 -2.64 116.42 118.46 1jiq h ASP 458 Ca -0.03 0.00 -0.35 0.00 -0.62 0.00 0.00 57.03 56.03 1jiq h ASP 458 Cb 0.50 0.00 -0.04 0.00 0.18 0.00 0.00 39.33 39.97 1jiq h ASP 458 CO 0.05 0.00 -1.98 -0.11 -3.12 0.00 0.00 179.24 174.08 1jiq n LEU 459 N -2.56 2.43 0.21 1.55 0.00 0.53 -3.77 117.00 115.38 1jiq n LEU 459 Ca -0.01 0.21 0.04 0.00 0.00 0.00 0.00 56.01 56.26 1jiq n LEU 459 Cb 0.14 -1.01 0.44 0.00 0.00 0.00 0.00 43.42 42.99 1jiq n LEU 459 CO 0.17 0.69 0.81 -0.08 0.00 0.00 0.00 177.39 178.99 1jiq h GLU 460 N -0.34 0.00 0.22 1.96 4.81 -0.83 -0.70 114.58 119.70 1jiq h GLU 460 Ca -0.47 0.00 -0.30 0.00 -0.13 0.00 0.00 59.36 58.45 1jiq h GLU 460 Cb 1.78 0.00 0.03 0.00 0.63 0.00 0.00 28.75 31.19 1jiq h GLU 460 CO -0.09 0.28 -1.36 0.07 -0.73 0.00 0.00 179.01 177.18 1jiq h ARG 461 N 0.00 0.46 -0.07 1.92 0.11 -1.67 -3.36 114.38 111.77 1jiq h ARG 461 Ca -0.00 -0.79 -0.19 0.00 0.10 0.00 0.00 59.98 59.09 1jiq h ARG 461 Cb 0.49 0.29 -0.00 0.00 1.11 0.00 0.00 29.97 31.87 1jiq h ARG 461 CO 0.04 1.38 -0.77 -0.07 0.10 0.00 0.00 179.97 180.65 1jiq h LEU 462 N 0.01 0.54 -0.62 0.08 3.38 -1.63 -3.41 115.31 113.65 1jiq h LEU 462 Ca -0.24 -0.37 0.06 0.00 0.09 0.00 0.00 57.88 57.42 1jiq h LEU 462 Cb 2.03 -0.16 -0.07 0.00 0.09 0.00 0.00 40.66 42.55 1jiq h LEU 462 CO 0.23 1.12 -0.37 -0.11 0.09 0.00 0.00 178.44 179.40 1jiq n LEU 463 N -3.83 -0.66 0.21 1.67 7.94 -0.28 -0.30 117.00 121.74 1jiq n LEU 463 Ca -0.05 1.33 0.07 0.00 -1.11 0.00 0.00 56.01 56.25 1jiq n LEU 463 Cb 0.73 -0.25 0.59 0.00 0.53 0.00 0.00 43.42 45.02 1jiq n LEU 463 CO 0.49 -1.02 1.08 1.55 -1.11 0.00 0.00 177.39 178.39 1jiq h PRO 464 N 0.00 0.11 0.00 1.96 0.14 -1.82 -1.13 132.00 131.26 1jiq h PRO 464 Ca 0.10 -0.01 -0.05 0.00 0.14 0.00 0.00 66.00 66.18 1jiq h PRO 464 Cb 0.26 -0.02 -0.01 0.00 0.14 0.00 0.00 31.00 31.36 1jiq h PRO 464 CO -0.59 0.07 -0.26 0.45 0.14 0.00 0.00 178.00 177.82 1jiq h HIS 465 N 0.11 0.00 -0.09 1.56 3.86 -0.92 -3.00 115.15 116.68 1jiq h HIS 465 Ca 0.03 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.24 1jiq h HIS 465 Cb -0.00 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.47 1jiq h HIS 465 CO 0.00 0.26 0.00 1.63 0.86 0.00 0.00 177.93 180.68 1jiq n LYS 466 N -3.39 1.69 -3.32 2.45 4.76 -0.43 -4.91 118.16 115.02 1jiq n LYS 466 Ca 0.00 -1.02 -0.38 0.00 -2.87 0.00 0.00 58.31 54.04 1jiq n LYS 466 Cb 0.46 -1.44 -0.06 0.00 -1.84 0.00 0.00 35.03 32.15 1jiq n LYS 466 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 1jiq s VAL 467 N -1.90 5.10 -0.25 -0.18 1.01 -1.13 -4.86 120.40 118.19 1jiq s VAL 467 Ca 0.35 1.00 -0.07 0.00 0.00 0.00 0.00 61.98 63.27 1jiq s VAL 467 Cb 0.19 -3.83 -0.03 0.00 0.00 0.00 0.00 36.38 32.72 1jiq s VAL 467 CO 0.30 0.38 0.07 -0.36 0.00 0.00 0.00 175.10 175.49 1jiq s PHE 468 N 0.21 3.08 0.19 5.22 0.40 -0.20 -4.93 117.98 121.95 1jiq s PHE 468 Ca 0.27 -0.43 0.28 0.00 -0.60 0.00 0.00 56.93 56.45 1jiq s PHE 468 Cb -0.16 -2.23 1.21 0.00 0.51 0.00 0.00 43.02 42.35 1jiq s PHE 468 CO 0.12 -0.35 1.94 0.93 0.70 0.00 0.00 175.22 178.56 1jiq h GLU 469 N 8.19 0.00 0.00 0.44 5.08 -1.81 -0.65 114.58 125.83 1jiq h GLU 469 Ca -0.38 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.98 1jiq h GLU 469 Cb 1.17 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.42 1jiq h GLU 469 CO 0.58 0.13 0.00 0.41 -1.00 0.00 0.00 179.01 179.13 1jiq n GLY 470 N -0.07 1.00 2.51 -3.84 0.00 -1.26 -4.77 105.19 98.76 1jiq n GLY 470 Ca -0.00 -0.67 -0.21 0.00 0.00 0.00 0.00 46.02 45.14 1jiq n GLY 470 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1jiq n ASN 471 N -3.04 -5.67 -4.55 1.61 5.15 -0.59 -4.93 115.26 103.24 1jiq n ASN 471 Ca 0.00 0.29 -0.41 0.00 -0.60 0.00 0.00 54.58 53.85 1jiq n ASN 471 Cb 0.00 -4.88 -0.08 0.00 -0.53 0.00 0.00 39.78 34.29 1jiq n ASN 471 CO 0.00 0.00 0.00 -0.13 1.40 0.00 0.00 177.26 178.53 1jiq s ARG 472 N -4.32 3.55 0.29 1.20 0.52 -0.20 -4.94 118.95 115.05 1jiq s ARG 472 Ca 0.00 -0.29 -0.22 0.00 -0.52 0.00 0.00 55.73 54.70 1jiq s ARG 472 Cb 0.00 -3.82 -0.09 0.00 0.52 0.00 0.00 34.95 31.55 1jiq s ARG 472 CO 0.00 -0.63 0.82 -1.25 0.02 0.00 0.00 175.30 174.26 1jiq s PRO 473 N 2.27 4.34 0.06 3.54 0.04 -1.26 -3.69 135.00 140.30 1jiq s PRO 473 Ca 0.16 1.03 -0.01 0.00 0.04 0.00 0.00 61.00 62.22 1jiq s PRO 473 Cb -0.16 -2.75 -0.04 0.00 0.04 0.00 0.00 34.50 31.60 1jiq s PRO 473 CO 0.13 0.29 -0.01 0.95 0.04 0.00 0.00 177.00 178.40 1jiq s THR 474 N -1.66 0.20 -0.04 1.26 -4.23 -0.64 -3.47 115.64 107.05 1jiq s THR 474 Ca 0.48 -1.82 -0.00 0.00 -1.18 0.00 0.00 61.69 59.17 1jiq s THR 474 Cb -0.16 -1.60 -0.03 0.00 1.34 0.00 0.00 72.50 72.04 1jiq s THR 474 CO 0.21 -0.91 0.01 0.20 -0.54 0.00 0.00 174.62 173.59 1jiq s ASN 475 N -2.94 5.24 -0.18 3.99 0.02 -0.12 -4.04 114.94 116.90 1jiq s ASN 475 Ca 0.10 0.08 0.01 0.00 -1.02 0.00 0.00 52.86 52.03 1jiq s ASN 475 Cb 0.08 -1.44 0.03 0.00 0.02 0.00 0.00 41.25 39.94 1jiq s ASN 475 CO -0.08 0.33 -0.17 -0.44 0.02 0.00 0.00 177.10 176.75 1jiq s SER 476 N -1.24 3.15 -0.34 -1.22 0.01 -0.49 -0.76 113.70 112.81 1jiq s SER 476 Ca 0.17 -0.69 -0.01 0.00 1.31 0.00 0.00 55.95 56.73 1jiq s SER 476 Cb -0.11 -1.40 0.08 0.00 0.21 0.00 0.00 66.02 64.79 1jiq s SER 476 CO 0.07 -0.04 0.07 -0.63 0.41 0.00 0.00 173.24 173.12 1jiq s ILE 477 N 1.33 2.89 -0.12 1.44 1.01 0.73 -0.73 121.20 127.75 1jiq s ILE 477 Ca 0.03 -1.80 -0.01 0.00 0.00 0.00 0.00 60.65 58.87 1jiq s ILE 477 Cb -0.14 -2.85 -0.02 0.00 0.01 0.00 0.00 42.46 39.46 1jiq s ILE 477 CO -0.12 -0.38 -0.08 -0.69 0.00 0.00 0.00 174.94 173.67 1jiq s VAL 478 N 1.14 3.53 0.11 2.92 1.01 -0.45 -1.99 120.40 126.66 1jiq s VAL 478 Ca 0.02 -0.51 0.04 0.00 0.00 0.00 0.00 61.98 61.53 1jiq s VAL 478 Cb -0.21 -2.49 -0.04 0.00 0.00 0.00 0.00 36.38 33.65 1jiq s VAL 478 CO -0.04 0.54 -0.10 0.72 0.00 0.00 0.00 175.10 176.23 1jiq s PHE 479 N -0.05 1.09 0.10 5.22 -0.12 -0.82 0.26 117.98 123.65 1jiq s PHE 479 Ca -0.00 -0.70 -0.23 0.00 -0.05 0.00 0.00 56.93 55.94 1jiq s PHE 479 Cb -0.14 -0.59 -0.12 0.00 -0.63 0.00 0.00 43.02 41.55 1jiq s PHE 479 CO 0.03 0.00 1.71 1.15 -0.05 0.00 0.00 175.22 178.07 1jiq h THR 480 N 3.34 0.85 -2.01 -4.49 2.02 -1.64 0.34 112.91 111.31 1jiq h THR 480 Ca -0.37 0.00 -0.05 0.00 0.77 0.00 0.00 66.41 66.76 1jiq h THR 480 Cb 1.19 0.85 -0.20 0.00 -1.74 0.00 0.00 68.15 68.24 1jiq h THR 480 CO 0.56 0.00 0.15 -0.75 0.37 0.00 0.00 175.52 175.85 1jiq s LYS 481 N -6.17 0.93 -1.23 6.66 2.20 -1.26 -0.89 119.74 119.98 1jiq s LYS 481 Ca -0.14 0.67 -0.16 0.00 -0.36 0.00 0.00 55.97 55.98 1jiq s LYS 481 Cb 0.07 0.45 0.12 0.00 -1.51 0.00 0.00 37.83 36.95 1jiq s LYS 481 CO 0.66 -0.20 1.56 -1.17 -0.36 0.00 0.00 175.35 175.85 1jiq s LEU 482 N -0.30 4.43 0.47 5.43 2.96 -1.26 -4.69 118.68 125.72 1jiq s LEU 482 Ca -0.05 -2.65 0.03 0.00 -0.22 0.00 0.00 54.13 51.25 1jiq s LEU 482 Cb -0.03 -2.49 0.01 0.00 0.50 0.00 0.00 46.19 44.19 1jiq s LEU 482 CO 0.05 -0.98 0.66 0.42 -1.32 0.00 0.00 176.35 175.18 1jiq s THR 483 N 2.97 3.23 0.22 3.68 -4.23 -1.26 -4.90 115.64 115.34 1jiq s THR 483 Ca 0.48 -0.76 -0.08 0.00 -1.18 0.00 0.00 61.69 60.15 1jiq s THR 483 Cb 0.00 -3.16 0.16 0.00 1.34 0.00 0.00 72.50 70.85 1jiq s THR 483 CO 0.03 -0.09 1.75 -0.65 -0.54 0.00 0.00 174.62 175.11 1jiq h PRO 484 N 0.40 0.43 -0.28 3.99 0.11 -1.92 -0.87 132.00 133.85 1jiq h PRO 484 Ca -0.43 -0.03 0.03 0.00 0.11 0.00 0.00 66.00 65.68 1jiq h PRO 484 Cb 1.28 -0.10 -0.03 0.00 0.11 0.00 0.00 31.00 32.26 1jiq h PRO 484 CO 0.52 0.28 0.11 0.35 -0.21 0.00 0.00 178.00 179.05 1jiq h PHE 485 N 0.44 0.20 -0.75 0.65 3.57 -1.86 -2.17 116.94 117.02 1jiq h PHE 485 Ca 0.33 0.01 -0.05 0.00 3.53 0.00 0.00 57.97 61.79 1jiq h PHE 485 Cb 0.43 -0.05 -0.03 0.00 2.79 0.00 0.00 35.95 39.09 1jiq h PHE 485 CO -0.16 0.10 0.25 1.98 -2.23 0.00 0.00 178.31 178.25 1jiq h MET 486 N 0.24 1.15 -0.65 1.11 4.05 -1.69 -1.59 114.93 117.55 1jiq h MET 486 Ca 0.12 -0.23 -0.01 0.00 -0.28 0.00 0.00 59.70 59.30 1jiq h MET 486 Cb 0.07 -0.17 -0.03 0.00 -0.80 0.00 0.00 31.60 30.67 1jiq h MET 486 CO -0.11 0.96 0.37 1.25 0.23 0.00 0.00 176.91 179.61 1jiq h LEU 487 N 1.11 0.79 -0.53 3.39 5.85 -1.06 -0.28 115.31 124.57 1jiq h LEU 487 Ca 0.24 -0.08 0.02 0.00 0.84 0.00 0.00 57.88 58.91 1jiq h LEU 487 Cb 0.28 -0.20 -0.03 0.00 0.37 0.00 0.00 40.66 41.07 1jiq h LEU 487 CO -0.01 0.64 0.32 1.23 -0.34 0.00 0.00 178.44 180.28 1jiq h GLY 488 N 0.88 0.75 0.98 3.75 0.00 -0.91 0.12 103.07 108.63 1jiq h GLY 488 Ca 0.23 -0.24 -0.02 0.00 0.00 0.00 0.00 47.33 47.30 1jiq h GLY 488 CO -0.04 0.20 0.25 0.00 0.00 0.00 0.00 176.54 176.95 1jiq h ALA 489 N 1.23 0.65 -0.46 3.60 0.00 -0.88 -1.59 119.26 121.82 1jiq h ALA 489 Ca 0.21 -0.11 -0.04 0.00 0.00 0.00 0.00 54.91 54.97 1jiq h ALA 489 Cb 0.02 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.59 1jiq h ALA 489 CO -0.09 0.20 0.12 -0.07 0.00 0.00 0.00 179.25 179.41 1jiq h LEU 490 N 0.67 0.69 -0.36 0.00 3.38 -0.54 -1.19 115.31 117.95 1jiq h LEU 490 Ca 0.17 -0.22 -0.06 0.00 0.09 0.00 0.00 57.88 57.87 1jiq h LEU 490 Cb 0.10 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.66 1jiq h LEU 490 CO -0.02 0.73 0.01 0.58 0.09 0.00 0.00 178.44 179.82 1jiq h VAL 491 N 0.61 1.26 -0.64 1.22 2.07 -0.89 -2.70 116.25 117.17 1jiq h VAL 491 Ca 0.15 -0.97 0.01 0.00 0.82 0.00 0.00 66.70 66.70 1jiq h VAL 491 Cb 0.30 1.18 -0.03 0.00 -1.52 0.00 0.00 31.29 31.22 1jiq h VAL 491 CO -0.00 0.32 0.43 0.00 0.02 0.00 0.00 177.57 178.34 1jiq h ALA 492 N 0.87 1.54 -0.36 1.67 0.00 -1.18 -1.69 119.26 120.11 1jiq h ALA 492 Ca 0.10 -0.04 0.05 0.00 0.00 0.00 0.00 54.91 55.02 1jiq h ALA 492 Cb 0.45 -0.26 -0.05 0.00 0.00 0.00 0.00 17.79 17.93 1jiq h ALA 492 CO 0.02 0.43 0.09 1.98 0.00 0.00 0.00 179.25 181.76 1jiq h MET 493 N 0.87 0.21 -0.28 0.00 -1.53 -0.95 -0.97 114.93 112.28 1jiq h MET 493 Ca 0.24 -0.01 -0.13 0.00 -3.44 0.00 0.00 59.70 56.35 1jiq h MET 493 Cb -0.10 -0.05 -0.01 0.00 -0.55 0.00 0.00 31.60 30.89 1jiq h MET 493 CO -0.05 0.14 -0.38 1.88 0.14 0.00 0.00 176.91 178.64 1jiq h TYR 494 N 0.22 0.76 -0.62 1.39 -1.99 -1.14 -1.20 116.97 114.40 1jiq h TYR 494 Ca 0.17 -0.22 0.06 0.00 2.00 0.00 0.00 58.73 60.75 1jiq h TYR 494 Cb 0.18 -0.17 -0.06 0.00 2.00 0.00 0.00 36.73 38.69 1jiq h TYR 494 CO -0.17 0.93 0.31 0.93 -0.00 0.00 0.00 178.16 180.16 1jiq h GLU 495 N 0.54 0.56 -0.05 4.88 5.08 -0.94 0.62 114.58 125.26 1jiq h GLU 495 Ca 0.05 -0.03 -0.17 0.00 -1.00 0.00 0.00 59.36 58.20 1jiq h GLU 495 Cb 0.89 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 30.01 1jiq h GLU 495 CO 0.08 0.37 -0.72 0.45 -1.00 0.00 0.00 179.01 178.19 1jiq h HIS 496 N 0.58 0.36 -0.33 4.33 3.86 -0.98 -1.14 115.15 121.83 1jiq h HIS 496 Ca 0.28 -0.16 0.04 0.00 -1.16 0.00 0.00 60.37 59.37 1jiq h HIS 496 Cb 0.22 -0.05 -0.03 0.00 1.06 0.00 0.00 27.41 28.60 1jiq h HIS 496 CO -0.10 0.90 0.12 -0.22 0.86 0.00 0.00 177.93 179.49 1jiq h LYS 497 N 0.18 0.27 -0.65 2.45 3.64 -0.66 -0.84 116.57 120.96 1jiq h LYS 497 Ca -0.02 -0.02 0.01 0.00 -1.27 0.00 0.00 60.65 59.35 1jiq h LYS 497 Cb 1.28 -0.06 -0.03 0.00 -0.41 0.00 0.00 32.23 33.01 1jiq h LYS 497 CO 0.11 0.18 0.43 0.82 -2.27 0.00 0.00 179.45 178.72 1jiq h ILE 498 N 0.27 1.16 -0.90 2.00 2.04 -0.66 -2.13 117.51 119.31 1jiq h ILE 498 Ca 0.15 -0.30 0.01 0.00 1.00 0.00 0.00 64.86 65.72 1jiq h ILE 498 Cb 0.11 0.21 -0.05 0.00 -0.74 0.00 0.00 36.82 36.36 1jiq h ILE 498 CO -0.15 0.16 0.59 0.15 0.00 0.00 0.00 178.15 178.91 1jiq h PHE 499 N 0.88 1.12 -0.36 1.37 3.57 -0.61 -1.77 116.94 121.14 1jiq h PHE 499 Ca 0.24 0.03 -0.11 0.00 3.53 0.00 0.00 57.97 61.65 1jiq h PHE 499 Cb -0.10 -0.38 -0.01 0.00 2.79 0.00 0.00 35.95 38.26 1jiq h PHE 499 CO -0.03 0.70 -0.21 0.28 -2.23 0.00 0.00 178.31 176.82 1jiq h VAL 500 N 1.21 1.28 -0.75 1.41 2.07 -0.74 -1.63 116.25 119.11 1jiq h VAL 500 Ca 0.33 -1.35 -0.02 0.00 0.82 0.00 0.00 66.70 66.48 1jiq h VAL 500 Cb -0.12 1.37 -0.03 0.00 -1.52 0.00 0.00 31.29 30.98 1jiq h VAL 500 CO -0.08 0.45 0.37 1.56 0.02 0.00 0.00 177.57 179.89 1jiq h GLN 501 N 0.58 1.06 -0.84 1.57 4.20 -1.30 -1.50 115.11 118.88 1jiq h GLN 501 Ca 0.08 -0.15 -0.01 0.00 0.06 0.00 0.00 58.65 58.63 1jiq h GLN 501 Cb 0.77 -0.20 -0.04 0.00 0.30 0.00 0.00 27.48 28.31 1jiq h GLN 501 CO 0.06 0.82 0.47 0.78 -0.67 0.00 0.00 178.83 180.29 1jiq h GLY 502 N 1.04 1.24 0.95 3.46 0.00 -1.01 -0.39 103.07 108.37 1jiq h GLY 502 Ca 0.26 -0.55 -0.03 0.00 0.00 0.00 0.00 47.33 47.01 1jiq h GLY 502 CO -0.04 0.53 0.16 -2.22 0.00 0.00 0.00 176.54 174.97 1jiq h ILE 503 N 1.16 1.21 -0.72 2.60 1.08 -1.00 -0.01 117.51 121.83 1jiq h ILE 503 Ca 0.30 -0.65 -0.06 0.00 -0.39 0.00 0.00 64.86 64.06 1jiq h ILE 503 Cb 0.01 0.85 -0.03 0.00 -3.07 0.00 0.00 36.82 34.58 1jiq h ILE 503 CO -0.05 0.23 0.21 0.40 -0.69 0.00 0.00 178.15 178.26 1jiq h ILE 504 N 0.53 1.26 0.00 -0.67 2.04 -0.99 -2.27 117.51 117.41 1jiq h ILE 504 Ca 0.14 -0.92 0.00 0.00 1.00 0.00 0.00 64.86 65.08 1jiq h ILE 504 Cb 0.21 0.49 0.00 0.00 -0.74 0.00 0.00 36.82 36.78 1jiq h ILE 504 CO -0.01 0.36 0.00 0.79 0.00 0.00 0.00 178.15 179.29 1jiq n TRP 505 N -4.27 0.00 -2.35 1.37 8.01 -0.18 -4.41 117.44 115.62 1jiq n TRP 505 Ca 0.05 0.00 -0.15 0.00 -1.31 0.00 0.00 57.50 56.09 1jiq n TRP 505 Cb 0.24 -0.47 -0.00 0.00 -2.01 0.00 0.00 31.31 29.06 1jiq n TRP 505 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 177.69 173.21 1jiq n ASP 506 N -1.47 -4.60 -4.87 -0.99 2.03 -0.11 -4.76 116.55 101.78 1jiq n ASP 506 Ca 0.07 -0.04 -0.22 0.00 0.52 0.00 0.00 54.79 55.12 1jiq n ASP 506 Cb 0.28 -3.71 -0.03 0.00 -0.72 0.00 0.00 41.12 36.94 1jiq n ASP 506 CO 0.00 0.00 0.00 0.27 -1.92 0.00 0.00 177.20 175.55 1jiq s ILE 507 N -2.78 2.50 -0.49 5.18 -5.25 -0.67 -1.15 121.20 118.54 1jiq s ILE 507 Ca 0.03 -1.38 -0.17 0.00 -0.99 0.00 0.00 60.65 58.14 1jiq s ILE 507 Cb -0.01 -2.88 0.07 0.00 2.95 0.00 0.00 42.46 42.58 1jiq s ILE 507 CO 0.03 0.00 0.49 0.21 -1.79 0.00 0.00 174.94 173.89 1jiq s ASN 508 N -4.14 6.18 0.00 4.36 3.84 -1.26 -4.58 114.94 119.34 1jiq s ASN 508 Ca 0.46 -1.14 0.24 0.00 0.21 0.00 0.00 52.86 52.64 1jiq s ASN 508 Cb -0.03 -2.23 1.33 0.00 -0.55 0.00 0.00 41.25 39.78 1jiq s ASN 508 CO 0.27 -0.75 1.80 -1.20 -2.79 0.00 0.00 177.10 174.43 1jiq n SER 509 N 5.63 0.00 -0.11 -4.21 7.64 -1.26 -3.72 113.62 117.59 1jiq n SER 509 Ca -0.10 -0.44 0.01 0.00 1.01 0.00 0.00 58.87 59.36 1jiq n SER 509 Cb 0.44 -0.13 0.01 0.00 -1.01 0.00 0.00 64.21 63.53 1jiq n SER 509 CO 0.00 0.00 0.00 0.49 -3.01 0.00 0.00 175.04 172.52 1jiq n PHE 510 N -1.13 0.00 -3.43 1.43 3.01 -1.26 -4.37 117.46 111.71 1jiq n PHE 510 Ca 0.15 -0.00 -0.16 0.00 1.01 0.00 0.00 57.45 58.45 1jiq n PHE 510 Cb 0.13 -0.00 0.02 0.00 -0.01 0.00 0.00 39.48 39.62 1jiq n PHE 510 CO 0.00 0.00 0.00 -0.40 1.01 0.00 0.00 176.76 177.37 1jiq n ASP 511 N 0.15 1.84 -2.72 4.37 3.85 -1.24 -4.98 116.55 117.82 1jiq n ASP 511 Ca 0.02 -2.17 -0.08 0.00 -0.71 0.00 0.00 54.79 51.85 1jiq n ASP 511 Cb 0.07 -0.14 0.09 0.00 -1.35 0.00 0.00 41.12 39.79 1jiq n ASP 511 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 1jiq n GLN 512 N -1.59 0.93 0.23 0.11 0.00 -1.26 -4.79 117.38 111.01 1jiq n GLN 512 Ca 0.04 -1.76 0.16 0.00 0.00 0.00 0.00 57.00 55.44 1jiq n GLN 512 Cb 0.41 -0.80 0.72 0.00 0.00 0.00 0.00 30.24 30.57 1jiq n GLN 512 CO 0.00 0.00 0.00 -1.49 0.00 0.00 0.00 177.06 175.57 1jiq h TRP 513 N 2.76 0.00 0.00 2.61 4.06 -1.98 -3.01 115.95 120.39 1jiq h TRP 513 Ca -0.15 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.80 1jiq h TRP 513 Cb 1.14 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 29.30 1jiq h TRP 513 CO 0.24 0.00 0.00 0.41 -3.56 0.00 0.00 178.44 175.53 1jiq n GLY 514 N -0.36 -0.97 0.01 1.49 0.00 -1.26 -2.37 105.19 101.73 1jiq n GLY 514 Ca 0.00 -0.05 0.13 0.00 0.00 0.00 0.00 46.02 46.10 1jiq n GLY 514 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1jiq n VAL 515 N -1.49 0.00 -0.03 1.61 0.24 -1.14 -4.44 118.33 113.08 1jiq n VAL 515 Ca 0.04 -0.01 -0.14 0.00 -2.04 0.00 0.00 64.34 62.19 1jiq n VAL 515 Cb 0.16 -0.10 -0.09 0.00 -1.47 0.00 0.00 33.84 32.33 1jiq n VAL 515 CO 0.00 0.00 0.00 -0.08 -2.14 0.00 0.00 176.83 174.61 1jiq h GLU 516 N 0.06 0.23 -0.26 7.34 4.81 -1.71 -3.25 114.58 121.80 1jiq h GLU 516 Ca 0.00 -0.17 0.05 0.00 -0.13 0.00 0.00 59.36 59.11 1jiq h GLU 516 Cb 0.49 0.03 -0.05 0.00 0.63 0.00 0.00 28.75 29.85 1jiq h GLU 516 CO 0.00 0.80 -0.08 1.25 -0.73 0.00 0.00 179.01 180.25 1jiq h LEU 517 N -0.29 -0.28 -1.21 1.64 5.85 -1.80 -1.92 115.31 117.30 1jiq h LEU 517 Ca -0.01 0.08 0.05 0.00 0.84 0.00 0.00 57.88 58.85 1jiq h LEU 517 Cb 0.82 0.18 -0.05 0.00 0.37 0.00 0.00 40.66 41.97 1jiq h LEU 517 CO 0.04 -0.10 0.56 1.23 -0.34 0.00 0.00 178.44 179.83 1jiq h GLY 518 N -0.02 1.21 0.90 3.75 0.00 -1.86 -1.15 103.07 105.91 1jiq h GLY 518 Ca 0.13 -0.39 -0.04 0.00 0.00 0.00 0.00 47.33 47.02 1jiq h GLY 518 CO -0.28 0.30 0.04 0.50 0.00 0.00 0.00 176.54 177.10 1jiq h LYS 519 N 0.98 0.57 -0.23 4.80 1.57 -1.42 -1.29 116.57 121.55 1jiq h LYS 519 Ca 0.36 -0.16 0.04 0.00 -1.87 0.00 0.00 60.65 59.01 1jiq h LYS 519 Cb 0.16 -0.06 -0.03 0.00 0.08 0.00 0.00 32.23 32.37 1jiq h LYS 519 CO -0.12 0.66 0.01 1.96 -0.57 0.00 0.00 179.45 181.39 1jiq h GLN 520 N 0.39 0.08 -0.15 3.15 4.20 -0.75 -2.19 115.11 119.84 1jiq h GLN 520 Ca 0.10 -0.00 -0.10 0.00 0.06 0.00 0.00 58.65 58.70 1jiq h GLN 520 Cb 0.39 -0.02 -0.01 0.00 0.30 0.00 0.00 27.48 28.14 1jiq h GLN 520 CO 0.01 0.05 -0.35 -0.07 -0.67 0.00 0.00 178.83 177.80 1jiq h LEU 521 N 0.08 0.31 -0.48 1.46 3.38 -1.09 -2.86 115.31 116.12 1jiq h LEU 521 Ca 0.11 -0.12 -0.09 0.00 0.09 0.00 0.00 57.88 57.87 1jiq h LEU 521 Cb 0.13 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 40.78 1jiq h LEU 521 CO -0.17 0.65 -0.05 0.00 0.09 0.00 0.00 178.44 178.95 1jiq h ALA 522 N 1.37 0.65 -0.72 1.53 0.00 -1.03 -2.30 119.26 118.76 1jiq h ALA 522 Ca 0.03 -0.31 0.05 0.00 0.00 0.00 0.00 54.91 54.68 1jiq h ALA 522 Cb 0.75 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 18.33 1jiq h ALA 522 CO 0.06 0.50 0.47 0.87 0.00 0.00 0.00 179.25 181.15 1jiq h LYS 523 N 0.73 0.78 -0.30 0.00 1.79 -1.20 -0.92 116.57 117.44 1jiq h LYS 523 Ca 0.13 -0.05 -0.11 0.00 -2.18 0.00 0.00 60.65 58.44 1jiq h LYS 523 Cb 0.58 -0.18 -0.01 0.00 -1.58 0.00 0.00 32.23 31.05 1jiq h LYS 523 CO 0.04 0.52 -0.24 0.87 -1.08 0.00 0.00 179.45 179.56 1jiq h LYS 524 N 0.80 0.68 -0.26 3.15 1.57 -1.28 -3.31 116.57 117.93 1jiq h LYS 524 Ca 0.30 -0.34 -0.15 0.00 -1.87 0.00 0.00 60.65 58.59 1jiq h LYS 524 Cb 0.17 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.47 1jiq h LYS 524 CO -0.09 0.95 -0.46 0.82 -0.57 0.00 0.00 179.45 180.09 1jiq h ILE 525 N 0.43 1.30 -0.87 1.86 2.04 -0.84 -3.36 117.51 118.08 1jiq h ILE 525 Ca 0.05 -1.66 0.11 0.00 1.00 0.00 0.00 64.86 64.37 1jiq h ILE 525 Cb 0.79 1.59 -0.13 0.00 -0.74 0.00 0.00 36.82 38.33 1jiq h ILE 525 CO 0.06 0.53 -0.47 -0.33 0.00 0.00 0.00 178.15 177.94 1jiq h GLU 526 N 0.54 -0.07 0.00 2.37 5.08 -1.28 0.13 114.58 121.36 1jiq h GLU 526 Ca 0.03 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.38 1jiq h GLU 526 Cb 1.01 0.02 -0.00 0.00 0.50 0.00 0.00 28.75 30.27 1jiq h GLU 526 CO 0.09 -0.05 -0.09 -1.00 -1.00 0.00 0.00 179.01 176.97 1jiq h PRO 527 N -0.07 0.00 0.00 2.33 0.13 -1.77 -2.58 132.00 130.04 1jiq h PRO 527 Ca 0.23 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.36 1jiq h PRO 527 Cb 0.53 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.66 1jiq h PRO 527 CO -0.88 0.09 0.00 0.93 -0.23 0.00 0.00 178.00 177.91 1jiq h GLU 528 N 0.00 0.00 0.00 0.86 5.08 -0.91 -2.97 114.58 116.64 1jiq h GLU 528 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1jiq h GLU 528 Cb 0.39 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.64 1jiq h GLU 528 CO 0.01 0.00 0.00 -0.07 -1.00 0.00 0.00 179.01 177.95 1jiq h LEU 529 N 0.00 0.00 -9.65 1.33 3.38 -1.15 -3.44 115.31 105.78 1jiq h LEU 529 Ca 0.00 0.00 -0.52 0.00 0.09 0.00 0.00 57.88 57.45 1jiq h LEU 529 Cb 0.80 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.55 1jiq h LEU 529 CO 0.00 0.00 0.51 -1.81 0.09 0.00 0.00 178.44 177.23 1jiq s ASP 530 N -5.83 7.19 0.00 -0.43 -0.00 -1.12 -4.87 116.67 111.61 1jiq s ASP 530 Ca 0.04 2.13 0.00 0.00 -0.00 0.00 0.00 52.55 54.72 1jiq s ASP 530 Cb 0.07 -2.60 0.00 0.00 -0.00 0.00 0.00 42.92 40.39 1jiq s ASP 530 CO 0.59 -0.29 0.00 0.61 -0.00 0.00 0.00 175.17 176.08 1jiq n GLY 531 N 2.17 -1.49 0.01 0.21 0.00 -1.26 -4.72 105.19 100.11 1jiq n GLY 531 Ca 0.04 -1.56 0.14 0.00 0.00 0.00 0.00 46.02 44.63 1jiq n GLY 531 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1jiq n SER 532 N -1.71 0.06 -4.76 1.61 3.41 -1.26 -4.93 113.62 106.04 1jiq n SER 532 Ca 0.00 0.21 -0.39 0.00 -0.26 0.00 0.00 58.87 58.43 1jiq n SER 532 Cb 0.00 -0.36 0.01 0.00 -0.26 0.00 0.00 64.21 63.60 1jiq n SER 532 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1jiq s ALA 533 N -2.85 3.08 0.45 7.33 0.00 -1.26 -4.97 121.76 123.53 1jiq s ALA 533 Ca 0.19 1.25 -0.24 0.00 0.00 0.00 0.00 51.96 53.15 1jiq s ALA 533 Cb 0.19 -3.51 -0.08 0.00 0.00 0.00 0.00 23.12 19.73 1jiq s ALA 533 CO 0.52 -1.01 1.22 -0.65 0.00 0.00 0.00 175.76 175.84 1jiq s GLN 534 N -2.55 3.79 -0.16 0.00 -1.52 -1.26 -5.02 119.66 112.93 1jiq s GLN 534 Ca 0.63 1.93 -0.06 0.00 -1.95 0.00 0.00 55.36 55.91 1jiq s GLN 534 Cb -0.38 -2.52 -0.04 0.00 -0.22 0.00 0.00 33.01 29.85 1jiq s GLN 534 CO 0.47 -0.57 0.03 0.08 -0.25 0.00 0.00 175.29 175.05 1jiq s VAL 535 N -1.42 4.49 0.00 1.09 1.01 -1.26 -4.97 120.40 119.33 1jiq s VAL 535 Ca 0.62 -0.15 0.00 0.00 0.00 0.00 0.00 61.98 62.45 1jiq s VAL 535 Cb -0.33 -2.99 0.00 0.00 0.00 0.00 0.00 36.38 33.06 1jiq s VAL 535 CO 0.40 0.49 0.63 0.35 0.00 0.00 0.00 175.10 176.97 1jiq n THR 536 N 3.36 0.39 1.19 3.92 -2.24 -1.26 -4.73 114.28 114.91 1jiq n THR 536 Ca -0.17 -0.50 0.14 0.00 -2.27 0.00 0.00 64.05 61.25 1jiq n THR 536 Cb 0.52 0.94 0.68 0.00 -2.10 0.00 0.00 70.33 70.38 1jiq n THR 536 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1jiq n SER 537 N -0.20 0.01 -1.96 3.42 3.41 -1.26 -4.87 113.62 112.18 1jiq n SER 537 Ca 0.00 0.20 0.00 0.00 -0.26 0.00 0.00 58.87 58.81 1jiq n SER 537 Cb 0.26 -0.39 0.00 0.00 -0.26 0.00 0.00 64.21 63.81 1jiq n SER 537 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 1jiq n HIS 538 N -1.40 -0.24 -0.63 7.33 8.25 -1.26 -5.11 115.22 122.15 1jiq n HIS 538 Ca 0.10 0.00 -0.30 0.00 -0.26 0.00 0.00 57.72 57.26 1jiq n HIS 538 Cb 0.30 0.00 0.19 0.00 1.12 0.00 0.00 29.99 31.59 1jiq n HIS 538 CO 0.00 0.00 0.00 -0.40 0.64 0.00 0.00 176.34 176.58 1jiq n ASP 539 N -1.14 -0.16 -0.14 0.41 5.68 -1.26 -4.73 116.55 115.21 1jiq n ASP 539 Ca 0.00 0.29 0.10 0.00 -0.50 0.00 0.00 54.79 54.69 1jiq n ASP 539 Cb 0.00 -1.43 0.44 0.00 -1.14 0.00 0.00 41.12 38.99 1jiq n ASP 539 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1jiq h ALA 540 N -2.07 1.90 0.22 2.12 0.00 -1.99 -1.73 119.26 117.71 1jiq h ALA 540 Ca -0.47 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.42 1jiq h ALA 540 Cb 1.28 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.95 1jiq h ALA 540 CO 0.43 -0.05 -0.10 1.03 0.00 0.00 0.00 179.25 180.55 1jiq h SER 541 N 0.55 -0.25 -0.80 0.00 0.87 -1.99 -0.98 113.55 110.97 1jiq h SER 541 Ca 0.32 -0.28 0.10 0.00 -1.23 0.00 0.00 61.79 60.69 1jiq h SER 541 Cb 0.50 0.06 -0.07 0.00 -0.44 0.00 0.00 62.40 62.45 1jiq h SER 541 CO -0.10 0.22 0.44 0.74 -0.53 0.00 0.00 176.83 177.60 1jiq h THR 542 N -0.79 0.89 -0.30 2.23 2.02 -1.88 0.29 112.91 115.37 1jiq h THR 542 Ca -0.03 -0.25 -0.01 0.00 0.77 0.00 0.00 66.41 66.88 1jiq h THR 542 Cb 0.51 0.08 -0.01 0.00 -1.74 0.00 0.00 68.15 66.99 1jiq h THR 542 CO 0.05 0.14 0.13 0.78 0.37 0.00 0.00 175.52 176.98 1jiq h ASN 543 N 0.74 0.40 -0.45 4.18 2.35 -1.32 -1.58 115.58 119.90 1jiq h ASN 543 Ca 0.39 -0.15 -0.09 0.00 -0.55 0.00 0.00 56.30 55.90 1jiq h ASN 543 Cb 0.37 -0.10 -0.02 0.00 0.05 0.00 0.00 38.32 38.62 1jiq h ASN 543 CO -0.25 0.44 -0.03 1.23 -1.65 0.00 0.00 177.43 177.17 1jiq h GLY 544 N 0.34 0.95 0.83 2.83 0.00 -0.45 -0.84 103.07 106.72 1jiq h GLY 544 Ca 0.10 -0.68 -0.02 0.00 0.00 0.00 0.00 47.33 46.73 1jiq h GLY 544 CO -0.01 0.62 0.03 1.41 0.00 0.00 0.00 176.54 178.59 1jiq h LEU 545 N 0.81 0.25 -0.75 3.11 3.38 -0.92 -1.03 115.31 120.17 1jiq h LEU 545 Ca 0.15 -0.25 0.02 0.00 0.09 0.00 0.00 57.88 57.89 1jiq h LEU 545 Cb 0.52 -0.07 -0.04 0.00 0.09 0.00 0.00 40.66 41.16 1jiq h LEU 545 CO 0.03 0.44 0.49 0.40 0.09 0.00 0.00 178.44 179.89 1jiq h ILE 546 N 0.06 1.15 -0.17 1.22 2.04 -1.06 -1.51 117.51 119.23 1jiq h ILE 546 Ca 0.05 -0.33 -0.11 0.00 1.00 0.00 0.00 64.86 65.47 1jiq h ILE 546 Cb 0.29 0.09 -0.01 0.00 -0.74 0.00 0.00 36.82 36.45 1jiq h ILE 546 CO 0.00 0.18 -0.37 0.78 0.00 0.00 0.00 178.15 178.74 1jiq h ASN 547 N 0.97 0.38 -0.47 1.72 2.35 -1.04 -0.93 115.58 118.56 1jiq h ASN 547 Ca 0.29 -0.16 -0.13 0.00 -0.55 0.00 0.00 56.30 55.76 1jiq h ASN 547 Cb -0.05 -0.11 -0.01 0.00 0.05 0.00 0.00 38.32 38.20 1jiq h ASN 547 CO -0.09 0.73 -0.19 0.15 -1.65 0.00 0.00 177.43 176.39 1jiq h PHE 548 N 0.31 1.11 -0.46 1.19 3.57 -0.85 -0.79 116.94 121.03 1jiq h PHE 548 Ca 0.03 -0.26 0.00 0.00 3.53 0.00 0.00 57.97 61.28 1jiq h PHE 548 Cb 0.80 -0.27 -0.02 0.00 2.79 0.00 0.00 35.95 39.25 1jiq h PHE 548 CO 0.02 1.07 0.30 0.82 -2.23 0.00 0.00 178.31 178.29 1jiq h ILE 549 N 0.85 1.12 -0.72 1.41 2.04 -0.89 -0.27 117.51 121.06 1jiq h ILE 549 Ca 0.12 -0.24 -0.06 0.00 1.00 0.00 0.00 64.86 65.68 1jiq h ILE 549 Cb 0.76 0.46 -0.03 0.00 -0.74 0.00 0.00 36.82 37.27 1jiq h ILE 549 CO 0.06 0.12 0.20 0.11 0.00 0.00 0.00 178.15 178.64 1jiq h LYS 550 N 0.62 1.13 -0.49 2.37 1.57 -0.96 0.84 116.57 121.65 1jiq h LYS 550 Ca 0.17 -0.26 -0.06 0.00 -1.87 0.00 0.00 60.65 58.63 1jiq h LYS 550 Cb -0.06 -0.16 -0.02 0.00 0.08 0.00 0.00 32.23 32.07 1jiq h LYS 550 CO -0.04 0.98 0.06 0.37 -0.57 0.00 0.00 179.45 180.26 1jiq h GLN 551 N 1.08 0.83 0.00 3.15 4.15 -0.83 -3.22 115.11 120.26 1jiq h GLN 551 Ca 0.23 -0.23 0.00 0.00 0.77 0.00 0.00 58.65 59.42 1jiq h GLN 551 Cb 0.34 -0.09 0.00 0.00 0.21 0.00 0.00 27.48 27.94 1jiq h GLN 551 CO -0.00 0.84 -0.50 1.04 -1.93 0.00 0.00 178.83 178.27 1jiq n GLN 552 N -4.40 0.27 -0.34 1.69 1.13 -0.14 -3.56 117.38 112.03 1jiq n GLN 552 Ca 0.01 0.10 0.16 0.00 -1.94 0.00 0.00 57.00 55.34 1jiq n GLN 552 Cb 0.27 -1.69 0.37 0.00 0.11 0.00 0.00 30.24 29.29 1jiq n GLN 552 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1jiq h ARG 553 N 0.00 0.57 0.00 -1.09 3.08 -0.84 -2.29 114.38 113.80 1jiq h ARG 553 Ca 0.00 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.02 1jiq h ARG 553 Cb 0.73 -0.13 0.00 0.00 0.08 0.00 0.00 29.97 30.65 1jiq h ARG 553 CO 0.00 0.38 -0.60 0.93 -1.07 0.00 0.00 179.97 179.61 1jiq h GLU 554 N 0.59 0.00 -6.81 0.04 4.39 -1.73 -3.48 114.58 107.58 1jiq h GLU 554 Ca 0.63 0.00 -0.53 0.00 0.34 0.00 0.00 59.36 59.80 1jiq h GLU 554 Cb 1.16 0.00 0.08 0.00 -0.10 0.00 0.00 28.75 29.89 1jiq h GLU 554 CO -0.47 0.00 0.83 0.00 -1.16 0.00 0.00 179.01 178.21 1jiq s ALA 555 N -3.28 3.68 -0.55 3.43 0.00 -0.87 -4.96 121.76 119.22 1jiq s ALA 555 Ca 0.03 1.49 -0.18 0.00 0.00 0.00 0.00 51.96 53.30 1jiq s ALA 555 Cb 0.09 -3.61 0.09 0.00 0.00 0.00 0.00 23.12 19.69 1jiq s ALA 555 CO 0.73 -0.91 0.63 1.03 0.00 0.00 0.00 175.76 177.25 1jiq s ARG 556 N -0.69 3.05 0.00 0.00 0.52 -1.26 -5.09 118.95 115.48 1jiq s ARG 556 Ca 0.60 -1.26 0.18 0.00 -0.52 0.00 0.00 55.73 54.74 1jiq s ARG 556 Cb -0.46 -4.22 1.07 0.00 0.52 0.00 0.00 34.95 31.87 1jiq s ARG 556 CO 0.48 -1.39 1.47 1.33 0.02 0.00 0.00 175.30 177.21