#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1iat h ALA 2 N 0.00 0.81 -0.42 0.00 0.00 -1.95 -2.77 119.26 114.92 1iat h ALA 2 Ca 0.00 0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.96 1iat h ALA 2 Cb 0.00 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 1iat h ALA 2 CO 0.00 -0.10 0.25 1.25 0.00 0.00 0.00 179.25 180.64 1iat h LEU 3 N 0.51 0.52 -1.30 0.00 5.85 -1.85 -2.38 115.31 116.66 1iat h LEU 3 Ca 0.30 -0.07 0.00 0.00 0.84 0.00 0.00 57.88 58.95 1iat h LEU 3 Cb 0.29 -0.13 0.00 0.00 0.37 0.00 0.00 40.66 41.19 1iat h LEU 3 CO -0.25 0.43 0.00 0.71 -0.34 0.00 0.00 178.44 179.00 1iat h THR 4 N 0.56 0.00 -0.00 1.05 1.35 -1.91 -1.63 112.91 112.32 1iat h THR 4 Ca 0.15 -0.55 0.00 0.00 -0.55 0.00 0.00 66.41 65.46 1iat h THR 4 Cb 0.02 1.54 0.00 0.00 -1.73 0.00 0.00 68.15 67.98 1iat h THR 4 CO -0.03 0.00 -0.25 0.54 -0.25 0.00 0.00 175.52 175.54 1iat n ARG 5 N -3.06 0.35 -2.57 4.72 1.74 -0.97 -4.75 116.66 112.12 1iat n ARG 5 Ca 0.01 -0.16 -0.42 0.00 -0.77 0.00 0.00 57.85 56.51 1iat n ARG 5 Cb 0.33 -1.50 -0.03 0.00 -1.02 0.00 0.00 32.46 30.24 1iat n ARG 5 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 1iat s ASP 6 N -2.75 7.20 0.43 0.55 2.15 -0.62 -4.93 116.67 118.69 1iat s ASP 6 Ca 0.19 1.77 0.14 0.00 0.43 0.00 0.00 52.55 55.08 1iat s ASP 6 Cb 0.19 -2.57 0.93 0.00 -0.30 0.00 0.00 42.92 41.17 1iat s ASP 6 CO 0.57 -0.42 1.94 -0.65 -0.17 0.00 0.00 175.17 176.44 1iat h PRO 7 N 6.99 0.00 -0.26 4.34 0.11 -1.90 -1.22 132.00 140.06 1iat h PRO 7 Ca -0.38 0.00 -0.15 0.00 0.11 0.00 0.00 66.00 65.58 1iat h PRO 7 Cb 1.19 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.29 1iat h PRO 7 CO 0.81 0.24 -0.44 1.96 -0.21 0.00 0.00 178.00 180.37 1iat h GLN 8 N 0.00 0.65 -0.36 1.05 1.08 -1.93 -1.33 115.11 114.27 1iat h GLN 8 Ca -0.00 -0.35 -0.04 0.00 -1.45 0.00 0.00 58.65 56.80 1iat h GLN 8 Cb 0.43 0.02 -0.01 0.00 -0.05 0.00 0.00 27.48 27.86 1iat h GLN 8 CO 0.03 0.96 0.07 0.35 -0.95 0.00 0.00 178.83 179.30 1iat h PHE 9 N 0.53 0.62 -0.95 2.96 3.04 -1.67 -1.31 116.94 120.16 1iat h PHE 9 Ca 0.04 -0.08 0.04 0.00 3.98 0.00 0.00 57.97 61.95 1iat h PHE 9 Cb 0.97 -0.17 -0.06 0.00 2.56 0.00 0.00 35.95 39.25 1iat h PHE 9 CO 0.05 0.63 0.62 1.96 -2.02 0.00 0.00 178.31 179.55 1iat h GLN 10 N 0.43 1.15 -0.52 1.11 4.20 -1.16 -0.67 115.11 119.66 1iat h GLN 10 Ca 0.11 -0.07 -0.05 0.00 0.06 0.00 0.00 58.65 58.71 1iat h GLN 10 Cb 0.33 -0.26 -0.02 0.00 0.30 0.00 0.00 27.48 27.83 1iat h GLN 10 CO 0.00 0.76 0.14 -0.22 -0.67 0.00 0.00 178.83 178.85 1iat h LYS 11 N 1.18 0.82 -0.49 1.46 3.64 -1.07 -1.28 116.57 120.83 1iat h LYS 11 Ca 0.38 -0.19 -0.02 0.00 -1.27 0.00 0.00 60.65 59.56 1iat h LYS 11 Cb 0.03 -0.11 -0.02 0.00 -0.41 0.00 0.00 32.23 31.72 1iat h LYS 11 CO -0.12 0.77 0.24 1.25 -2.27 0.00 0.00 179.45 179.32 1iat h LEU 12 N 0.71 0.64 -0.88 5.20 5.85 -0.66 -1.63 115.31 124.54 1iat h LEU 12 Ca 0.16 -0.12 -0.05 0.00 0.84 0.00 0.00 57.88 58.71 1iat h LEU 12 Cb 0.31 -0.16 -0.03 0.00 0.37 0.00 0.00 40.66 41.14 1iat h LEU 12 CO -0.00 0.59 0.20 1.56 -0.34 0.00 0.00 178.44 180.45 1iat h GLN 13 N 0.65 1.03 -0.34 1.25 4.20 -0.99 -1.05 115.11 119.86 1iat h GLN 13 Ca 0.17 -0.21 -0.15 0.00 0.06 0.00 0.00 58.65 58.52 1iat h GLN 13 Cb 0.11 -0.15 -0.01 0.00 0.30 0.00 0.00 27.48 27.73 1iat h GLN 13 CO -0.02 0.88 -0.38 0.37 -0.67 0.00 0.00 178.83 179.01 1iat h GLN 14 N 0.99 0.81 -0.42 1.46 5.75 -1.02 -1.18 115.11 121.50 1iat h GLN 14 Ca 0.22 -0.41 -0.05 0.00 -0.15 0.00 0.00 58.65 58.25 1iat h GLN 14 Cb 0.29 0.01 -0.02 0.00 1.07 0.00 0.00 27.48 28.83 1iat h GLN 14 CO -0.01 1.05 0.08 2.35 -2.65 0.00 0.00 178.83 179.65 1iat h TRP 15 N 0.67 0.74 -0.36 3.99 7.01 -1.03 -1.05 115.95 125.92 1iat h TRP 15 Ca 0.06 -0.10 0.05 0.00 2.11 0.00 0.00 58.89 61.01 1iat h TRP 15 Cb 0.94 -0.20 -0.05 0.00 -2.10 0.00 0.00 29.16 27.75 1iat h TRP 15 CO 0.05 0.71 0.08 -0.92 -2.79 0.00 0.00 178.44 175.57 1iat h TYR 16 N 0.56 0.13 -0.89 2.65 3.20 -1.00 0.23 116.97 121.85 1iat h TYR 16 Ca 0.13 0.02 -0.01 0.00 3.14 0.00 0.00 58.73 62.01 1iat h TYR 16 Cb 0.36 -0.00 -0.04 0.00 1.54 0.00 0.00 36.73 38.59 1iat h TYR 16 CO 0.02 0.03 0.53 -0.09 -1.64 0.00 0.00 178.16 177.01 1iat h ARG 17 N 0.20 1.22 -0.09 1.82 2.43 -0.85 -0.49 114.38 118.61 1iat h ARG 17 Ca 0.17 -0.12 -0.19 0.00 -0.81 0.00 0.00 59.98 59.03 1iat h ARG 17 Cb 0.19 -0.25 -0.00 0.00 -0.42 0.00 0.00 29.97 29.49 1iat h ARG 17 CO -0.22 0.86 -0.74 0.93 -1.51 0.00 0.00 179.97 179.29 1iat h GLU 18 N 1.23 0.49 -0.02 0.20 5.08 -0.51 -3.38 114.58 117.67 1iat h GLU 18 Ca 0.32 -0.40 0.00 0.00 -1.00 0.00 0.00 59.36 58.28 1iat h GLU 18 Cb -0.04 0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.30 1iat h GLU 18 CO -0.06 1.03 0.00 0.72 -1.00 0.00 0.00 179.01 179.70 1iat n HIS 19 N -3.86 0.02 -0.07 4.33 8.25 0.74 -4.80 115.22 119.84 1iat n HIS 19 Ca -0.05 -0.28 -0.07 0.00 -0.26 0.00 0.00 57.72 57.06 1iat n HIS 19 Cb 0.72 -0.03 -0.01 0.00 1.12 0.00 0.00 29.99 31.79 1iat n HIS 19 CO 0.00 0.00 0.00 -0.09 0.64 0.00 0.00 176.34 176.89 1iat h ARG 20 N 0.17 -0.13 0.00 -0.41 2.43 -1.27 -1.80 114.38 113.37 1iat h ARG 20 Ca 0.00 0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.18 1iat h ARG 20 Cb 0.31 0.03 0.00 0.00 -0.42 0.00 0.00 29.97 29.89 1iat h ARG 20 CO 0.00 -0.09 0.00 0.66 -1.51 0.00 0.00 179.97 179.03 1iat h SER 21 N -0.14 0.00 0.53 -3.80 4.64 -1.87 -1.17 113.55 111.75 1iat h SER 21 Ca 0.15 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.47 1iat h SER 21 Cb 0.36 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.45 1iat h SER 21 CO -0.36 0.00 -0.27 -0.62 -0.87 0.00 0.00 176.83 174.71 1iat n GLU 22 N -2.67 0.29 -2.98 4.77 1.02 -0.68 -4.84 120.64 115.56 1iat n GLU 22 Ca -0.02 -0.13 -0.43 0.00 -0.02 0.00 0.00 57.16 56.56 1iat n GLU 22 Cb 0.06 -1.50 -0.05 0.00 -0.02 0.00 0.00 31.44 29.93 1iat n GLU 22 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1iat s LEU 23 N -2.80 4.30 -0.05 -4.62 1.43 -0.44 -5.00 118.68 111.49 1iat s LEU 23 Ca 0.18 -0.18 -0.01 0.00 -1.03 0.00 0.00 54.13 53.09 1iat s LEU 23 Cb 0.19 -2.91 0.03 0.00 0.03 0.00 0.00 46.19 43.52 1iat s LEU 23 CO 0.58 -0.92 0.01 0.21 0.23 0.00 0.00 176.35 176.47 1iat s ASN 24 N 2.18 1.09 0.16 2.29 3.84 -1.26 -5.05 114.94 118.19 1iat s ASN 24 Ca 0.29 -0.03 -0.15 0.00 0.21 0.00 0.00 52.86 53.17 1iat s ASN 24 Cb -0.13 -0.30 0.03 0.00 -0.55 0.00 0.00 41.25 40.31 1iat s ASN 24 CO 0.22 -0.17 1.82 -0.07 -2.79 0.00 0.00 177.10 176.10 1iat h LEU 25 N 7.97 0.52 -0.39 3.21 3.38 -1.90 -0.13 115.31 127.98 1iat h LEU 25 Ca -0.26 -0.02 0.06 0.00 0.09 0.00 0.00 57.88 57.75 1iat h LEU 25 Cb 1.13 -0.13 -0.05 0.00 0.09 0.00 0.00 40.66 41.69 1iat h LEU 25 CO 0.31 0.39 0.07 0.03 0.09 0.00 0.00 178.44 179.33 1iat h ARG 26 N 0.61 0.19 -0.18 1.13 2.47 -1.95 -1.49 114.38 115.16 1iat h ARG 26 Ca 0.17 -0.01 -0.11 0.00 -1.26 0.00 0.00 59.98 58.77 1iat h ARG 26 Cb -0.06 -0.04 -0.01 0.00 -1.65 0.00 0.00 29.97 28.20 1iat h ARG 26 CO -0.04 0.13 -0.35 0.00 0.56 0.00 0.00 179.97 180.28 1iat h ARG 27 N 0.20 0.38 -0.50 0.04 3.08 -1.88 -1.56 114.38 114.14 1iat h ARG 27 Ca 0.19 -0.17 -0.05 0.00 0.07 0.00 0.00 59.98 60.02 1iat h ARG 27 Cb 0.22 -0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.24 1iat h ARG 27 CO -0.25 0.69 0.10 -0.07 -1.07 0.00 0.00 179.97 179.37 1iat h LEU 28 N 0.33 0.72 -0.09 3.04 3.38 -0.38 -1.88 115.31 120.43 1iat h LEU 28 Ca 0.04 -0.13 -0.22 0.00 0.09 0.00 0.00 57.88 57.66 1iat h LEU 28 Cb 0.77 -0.19 0.01 0.00 0.09 0.00 0.00 40.66 41.34 1iat h LEU 28 CO 0.06 0.73 -0.81 -0.26 0.09 0.00 0.00 178.44 178.25 1iat h PHE 29 N 0.74 0.98 0.00 1.13 -1.00 -0.87 -2.90 116.94 115.02 1iat h PHE 29 Ca 0.16 -0.47 0.00 0.00 2.81 0.00 0.00 57.97 60.47 1iat h PHE 29 Cb 0.31 -0.14 0.00 0.00 3.61 0.00 0.00 35.95 39.73 1iat h PHE 29 CO 0.02 1.30 0.00 0.38 -1.61 0.00 0.00 178.31 178.40 1iat h ASP 30 N 0.39 0.00 0.79 2.17 -0.00 -1.08 -2.98 116.42 115.71 1iat h ASP 30 Ca -0.08 0.00 0.00 0.00 -0.00 0.00 0.00 57.03 56.95 1iat h ASP 30 Cb 1.46 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 40.79 1iat h ASP 30 CO 0.16 0.00 -0.65 0.00 -0.00 0.00 0.00 179.24 178.75 1iat n ALA 31 N -1.82 3.01 -3.65 4.15 0.00 -0.73 -4.75 120.51 116.73 1iat n ALA 31 Ca 0.03 -0.27 -0.29 0.00 0.00 0.00 0.00 53.44 52.91 1iat n ALA 31 Cb 0.30 -1.15 -0.15 0.00 0.00 0.00 0.00 19.45 18.45 1iat n ALA 31 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 1iat s ASN 32 N -4.09 3.73 0.48 0.00 2.47 -1.10 -4.99 114.94 111.43 1iat s ASN 32 Ca 0.06 -1.42 0.22 0.00 0.42 0.00 0.00 52.86 52.14 1iat s ASN 32 Cb 0.14 -0.62 1.20 0.00 -1.45 0.00 0.00 41.25 40.52 1iat s ASN 32 CO 0.73 -0.42 2.00 0.07 -3.72 0.00 0.00 177.10 175.76 1iat h LYS 33 N 8.24 0.00 -0.78 0.43 -0.00 -1.85 -1.38 116.57 121.23 1iat h LYS 33 Ca -0.17 0.00 -0.10 0.00 -0.00 0.00 0.00 60.65 60.38 1iat h LYS 33 Cb 1.02 0.00 -0.06 0.00 -0.00 0.00 0.00 32.23 33.19 1iat h LYS 33 CO 0.45 0.18 0.13 -0.25 -0.00 0.00 0.00 179.45 179.96 1iat n ASP 34 N -3.85 4.21 -0.11 7.07 8.00 -1.26 -4.59 116.55 126.03 1iat n ASP 34 Ca -0.02 -2.81 -0.08 0.00 0.71 0.00 0.00 54.79 52.59 1iat n ASP 34 Cb 0.28 -0.67 -0.00 0.00 -0.02 0.00 0.00 41.12 40.71 1iat n ASP 34 CO 0.00 0.00 0.00 -0.09 -0.39 0.00 0.00 177.20 176.72 1iat h ARG 35 N 2.33 0.44 -0.37 -1.24 2.43 -1.59 0.94 114.38 117.31 1iat h ARG 35 Ca 0.12 -0.03 -0.01 0.00 -0.81 0.00 0.00 59.98 59.26 1iat h ARG 35 Cb 1.79 -0.10 -0.02 0.00 -0.42 0.00 0.00 29.97 31.22 1iat h ARG 35 CO 0.48 0.29 0.21 0.35 -1.51 0.00 0.00 179.97 179.79 1iat h PHE 36 N 0.46 0.51 -0.83 2.20 3.04 -1.84 -1.64 116.94 118.83 1iat h PHE 36 Ca 0.14 -0.01 0.02 0.00 3.98 0.00 0.00 57.97 62.10 1iat h PHE 36 Cb -0.02 -0.16 -0.04 0.00 2.56 0.00 0.00 35.95 38.28 1iat h PHE 36 CO -0.06 0.39 0.55 -0.91 -2.02 0.00 0.00 178.31 176.25 1iat h ASN 37 N 0.48 0.92 0.96 0.41 2.35 -1.76 -2.79 115.58 116.15 1iat h ASN 37 Ca 0.13 -0.02 0.00 0.00 -0.55 0.00 0.00 56.30 55.87 1iat h ASN 37 Cb 0.04 -0.22 0.00 0.00 0.05 0.00 0.00 38.32 38.19 1iat h ASN 37 CO -0.02 0.65 -0.36 1.41 -1.65 0.00 0.00 177.43 177.45 1iat n HIS 38 N -4.43 0.46 -2.46 1.19 8.25 0.28 -4.10 115.22 114.41 1iat n HIS 38 Ca 0.10 0.13 -0.17 0.00 -0.26 0.00 0.00 57.72 57.53 1iat n HIS 38 Cb 0.07 -0.63 0.02 0.00 1.12 0.00 0.00 29.99 30.58 1iat n HIS 38 CO 0.00 0.00 0.00 1.19 0.64 0.00 0.00 176.34 178.17 1iat n PHE 39 N -1.94 2.31 -3.82 4.41 3.01 -0.63 -5.03 117.46 115.76 1iat n PHE 39 Ca 0.05 -2.59 -0.10 0.00 1.01 0.00 0.00 57.45 55.82 1iat n PHE 39 Cb 0.40 -0.25 -0.07 0.00 -0.01 0.00 0.00 39.48 39.55 1iat n PHE 39 CO 0.00 0.00 0.00 -1.54 1.01 0.00 0.00 176.76 176.23 1iat s SER 40 N -3.52 0.04 -0.00 4.37 1.04 -1.14 -1.61 113.70 112.87 1iat s SER 40 Ca 0.40 -0.50 0.03 0.00 0.48 0.00 0.00 55.95 56.36 1iat s SER 40 Cb 0.40 0.34 -0.01 0.00 0.10 0.00 0.00 66.02 66.85 1iat s SER 40 CO -0.04 -0.69 -0.10 -0.76 0.98 0.00 0.00 173.24 172.63 1iat s LEU 41 N -2.58 2.04 -0.12 2.42 1.43 -0.45 -4.98 118.68 116.43 1iat s LEU 41 Ca 0.01 -0.22 0.01 0.00 -1.03 0.00 0.00 54.13 52.91 1iat s LEU 41 Cb 0.03 -0.48 -0.01 0.00 0.03 0.00 0.00 46.19 45.75 1iat s LEU 41 CO -0.09 0.09 -0.16 -0.89 0.23 0.00 0.00 176.35 175.53 1iat s THR 42 N -0.34 2.73 -0.22 5.49 2.01 -1.26 -0.43 115.64 123.61 1iat s THR 42 Ca 0.03 -0.78 -0.08 0.00 0.31 0.00 0.00 61.69 61.17 1iat s THR 42 Cb -0.04 -2.12 -0.04 0.00 0.01 0.00 0.00 72.50 70.31 1iat s THR 42 CO -0.00 0.53 0.09 -0.76 -0.69 0.00 0.00 174.62 173.79 1iat s LEU 43 N 0.40 3.73 -0.40 4.42 1.02 0.42 -4.96 118.68 123.30 1iat s LEU 43 Ca -0.13 -0.03 -0.07 0.00 0.02 0.00 0.00 54.13 53.92 1iat s LEU 43 Cb -0.16 -1.98 0.08 0.00 0.02 0.00 0.00 46.19 44.15 1iat s LEU 43 CO 0.06 0.07 0.22 0.21 0.02 0.00 0.00 176.35 176.93 1iat s ASN 44 N 1.00 5.50 0.00 2.29 2.47 -1.26 -0.81 114.94 124.14 1iat s ASN 44 Ca 0.05 -1.54 0.28 0.00 0.42 0.00 0.00 52.86 52.06 1iat s ASN 44 Cb -0.14 -1.94 1.11 0.00 -1.45 0.00 0.00 41.25 38.83 1iat s ASN 44 CO 0.03 -0.50 1.78 0.35 -3.72 0.00 0.00 177.10 175.04 1iat n THR 45 N 4.84 0.00 -0.09 -5.21 -2.24 -0.70 -4.90 114.28 105.99 1iat n THR 45 Ca -0.09 -0.11 0.00 0.00 -2.27 0.00 0.00 64.05 61.58 1iat n THR 45 Cb 0.43 0.12 0.00 0.00 -2.10 0.00 0.00 70.33 68.78 1iat n THR 45 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 1iat n ASN 46 N -0.67 0.00 -2.10 3.42 5.03 -1.26 -4.75 115.26 114.92 1iat n ASN 46 Ca 0.15 0.00 -0.06 0.00 0.87 0.00 0.00 54.58 55.54 1iat n ASN 46 Cb 0.30 -0.17 0.06 0.00 -1.02 0.00 0.00 39.78 38.95 1iat n ASN 46 CO 0.00 0.00 0.00 1.41 -1.83 0.00 0.00 177.26 176.84 1iat n HIS 47 N -2.00 1.34 0.00 3.10 8.25 -1.26 -5.08 115.22 119.57 1iat n HIS 47 Ca 0.00 -1.81 0.00 0.00 -0.26 0.00 0.00 57.72 55.65 1iat n HIS 47 Cb 0.00 -0.25 0.00 0.00 1.12 0.00 0.00 29.99 30.86 1iat n HIS 47 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1iat n GLY 48 N -0.51 3.80 3.87 -1.41 0.00 -1.26 -4.78 105.19 104.90 1iat n GLY 48 Ca 0.19 -1.60 -0.30 0.00 0.00 0.00 0.00 46.02 44.32 1iat n GLY 48 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1iat s HIS 49 N -2.04 3.39 -0.17 1.61 0.09 -1.26 -1.71 115.29 115.19 1iat s HIS 49 Ca 0.00 0.16 0.01 0.00 -0.00 0.00 0.00 55.06 55.23 1iat s HIS 49 Cb 0.00 -1.69 0.03 0.00 -0.00 0.00 0.00 32.58 30.92 1iat s HIS 49 CO 0.00 0.56 -0.14 0.42 -0.00 0.00 0.00 174.74 175.57 1iat s ILE 50 N -1.52 1.74 -0.29 0.60 1.01 0.01 -1.65 121.20 121.09 1iat s ILE 50 Ca 0.33 -0.85 -0.16 0.00 0.00 0.00 0.00 60.65 59.97 1iat s ILE 50 Cb -0.12 -1.67 -0.03 0.00 0.01 0.00 0.00 42.46 40.65 1iat s ILE 50 CO 0.26 0.38 0.40 -0.22 0.00 0.00 0.00 174.94 175.77 1iat s LEU 51 N 1.40 4.14 -0.55 2.97 2.96 0.74 -0.44 118.68 129.91 1iat s LEU 51 Ca 0.03 0.18 -0.12 0.00 -0.22 0.00 0.00 54.13 54.00 1iat s LEU 51 Cb -0.14 -2.46 0.14 0.00 0.50 0.00 0.00 46.19 44.23 1iat s LEU 51 CO -0.10 -0.26 0.46 -0.69 -1.32 0.00 0.00 176.35 174.43 1iat s VAL 52 N 2.13 4.70 -0.48 1.68 1.01 0.42 -1.32 120.40 128.54 1iat s VAL 52 Ca 0.16 -1.84 -0.17 0.00 0.00 0.00 0.00 61.98 60.13 1iat s VAL 52 Cb -0.16 -4.04 0.06 0.00 0.00 0.00 0.00 36.38 32.25 1iat s VAL 52 CO 0.11 -0.85 0.49 -0.62 0.00 0.00 0.00 175.10 174.23 1iat s ASP 53 N 2.82 6.18 -0.25 3.32 2.15 0.12 -1.35 116.67 129.67 1iat s ASP 53 Ca 0.07 -1.10 0.13 0.00 0.43 0.00 0.00 52.55 52.08 1iat s ASP 53 Cb -0.25 -2.23 0.56 0.00 -0.30 0.00 0.00 42.92 40.70 1iat s ASP 53 CO -0.01 -0.74 1.51 0.00 -0.17 0.00 0.00 175.17 175.77 1iat n TYR 54 N 5.63 1.30 0.20 -5.34 4.11 -0.64 -1.42 117.16 121.00 1iat n TYR 54 Ca -0.10 -1.21 0.09 0.00 -0.00 0.00 0.00 57.90 56.68 1iat n TYR 54 Cb 0.45 -0.46 0.27 0.00 -0.00 0.00 0.00 39.34 39.60 1iat n TYR 54 CO 0.00 0.00 0.00 0.66 -0.00 0.00 0.00 176.86 177.52 1iat h SER 55 N 1.62 0.00 -0.45 9.48 4.64 -1.59 -3.21 113.55 124.04 1iat h SER 55 Ca 0.14 0.00 -0.28 0.00 -0.47 0.00 0.00 61.79 61.18 1iat h SER 55 Cb 1.71 0.00 -0.11 0.00 -0.31 0.00 0.00 62.40 63.69 1iat h SER 55 CO 0.39 0.24 0.23 0.29 -0.87 0.00 0.00 176.83 177.11 1iat n LYS 56 N -3.24 1.81 -4.40 4.77 5.02 -1.26 -4.86 118.16 116.00 1iat n LYS 56 Ca 0.02 -1.37 -0.27 0.00 -2.02 0.00 0.00 58.31 54.67 1iat n LYS 56 Cb 0.54 -1.66 -0.12 0.00 -0.02 0.00 0.00 35.03 33.77 1iat n LYS 56 CO 0.00 0.00 0.00 -0.80 -0.52 0.00 0.00 177.40 176.08 1iat s ASN 57 N 0.80 3.49 -1.55 4.39 -0.87 -1.21 -1.26 114.94 118.72 1iat s ASN 57 Ca 0.36 -0.81 -0.12 0.00 -1.57 0.00 0.00 52.86 50.72 1iat s ASN 57 Cb 0.24 -0.29 -0.03 0.00 -0.02 0.00 0.00 41.25 41.14 1iat s ASN 57 CO -0.05 0.13 2.64 0.18 -2.57 0.00 0.00 177.10 177.43 1iat n LEU 58 N 0.40 7.94 -4.07 0.60 4.77 -1.26 -4.85 117.00 120.53 1iat n LEU 58 Ca -0.14 -4.27 -0.10 0.00 -0.03 0.00 0.00 56.01 51.47 1iat n LEU 58 Cb 0.55 -1.60 -0.11 0.00 -2.33 0.00 0.00 43.42 39.93 1iat n LEU 58 CO 0.28 1.65 -0.38 0.68 -1.33 0.00 0.00 177.39 178.30 1iat s VAL 59 N 2.60 0.37 0.49 4.08 -7.23 -1.26 -5.07 120.40 114.37 1iat s VAL 59 Ca 0.60 -1.40 0.02 0.00 -1.81 0.00 0.00 61.98 59.38 1iat s VAL 59 Cb 0.16 -0.98 -0.02 0.00 0.56 0.00 0.00 36.38 36.11 1iat s VAL 59 CO -0.07 -0.68 0.02 0.42 -0.31 0.00 0.00 175.10 174.48 1iat s THR 60 N -2.54 1.16 0.24 5.32 -4.23 -1.26 -4.99 115.64 109.34 1iat s THR 60 Ca -0.03 -2.00 -0.06 0.00 -1.18 0.00 0.00 61.69 58.43 1iat s THR 60 Cb -0.02 -2.27 0.22 0.00 1.34 0.00 0.00 72.50 71.77 1iat s THR 60 CO -0.04 0.00 1.88 -0.33 -0.54 0.00 0.00 174.62 175.59 1iat h GLU 61 N 1.46 1.06 -0.72 3.99 4.39 -1.99 -1.65 114.58 121.12 1iat h GLU 61 Ca -0.43 -0.06 0.00 0.00 0.34 0.00 0.00 59.36 59.21 1iat h GLU 61 Cb 1.30 -0.24 -0.04 0.00 -0.10 0.00 0.00 28.75 29.68 1iat h GLU 61 CO 0.72 0.70 0.47 -0.44 -1.16 0.00 0.00 179.01 179.31 1iat h ASP 62 N 1.10 0.84 -0.64 1.42 3.32 -1.99 -0.31 116.42 120.16 1iat h ASP 62 Ca 0.37 -0.03 -0.03 0.00 0.02 0.00 0.00 57.03 57.36 1iat h ASP 62 Cb 0.06 -0.21 -0.03 0.00 0.22 0.00 0.00 39.33 39.37 1iat h ASP 62 CO -0.14 0.62 0.29 0.58 -1.72 0.00 0.00 179.24 178.88 1iat h VAL 63 N 0.98 1.22 -0.36 -1.35 2.07 -1.80 -1.42 116.25 115.59 1iat h VAL 63 Ca 0.26 -0.65 -0.10 0.00 0.82 0.00 0.00 66.70 67.03 1iat h VAL 63 Cb -0.10 0.47 -0.02 0.00 -1.52 0.00 0.00 31.29 30.13 1iat h VAL 63 CO -0.06 0.26 -0.20 0.24 0.02 0.00 0.00 177.57 177.84 1iat h MET 64 N 0.89 0.67 -0.37 1.57 2.86 -0.81 -0.39 114.93 119.36 1iat h MET 64 Ca 0.22 -0.25 -0.02 0.00 -2.06 0.00 0.00 59.70 57.59 1iat h MET 64 Cb 0.14 -0.04 -0.02 0.00 0.06 0.00 0.00 31.60 31.74 1iat h MET 64 CO -0.02 0.82 0.16 0.00 1.06 0.00 0.00 176.91 178.93 1iat h ARG 65 N 0.60 0.54 -0.82 1.72 3.08 -0.79 -0.96 114.38 117.75 1iat h ARG 65 Ca 0.09 -0.09 -0.03 0.00 0.07 0.00 0.00 59.98 60.02 1iat h ARG 65 Cb 0.66 -0.09 -0.04 0.00 0.08 0.00 0.00 29.97 30.58 1iat h ARG 65 CO 0.05 0.51 0.39 0.52 -1.07 0.00 0.00 179.97 180.37 1iat h MET 66 N 0.45 1.17 -0.56 0.04 2.86 -0.89 -0.04 114.93 117.96 1iat h MET 66 Ca 0.12 -0.17 -0.10 0.00 -2.06 0.00 0.00 59.70 57.50 1iat h MET 66 Cb 0.16 -0.21 -0.02 0.00 0.06 0.00 0.00 31.60 31.59 1iat h MET 66 CO -0.01 0.90 -0.03 -0.07 1.06 0.00 0.00 176.91 178.76 1iat h LEU 67 N 1.16 0.99 -0.64 1.22 3.38 -0.82 -0.80 115.31 119.81 1iat h LEU 67 Ca 0.28 -0.32 -0.06 0.00 0.09 0.00 0.00 57.88 57.87 1iat h LEU 67 Cb 0.12 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.57 1iat h LEU 67 CO -0.04 1.07 0.16 0.58 0.09 0.00 0.00 178.44 180.31 1iat h VAL 68 N 0.89 1.25 -0.27 1.22 2.07 -0.77 -1.44 116.25 119.20 1iat h VAL 68 Ca 0.16 -0.92 -0.03 0.00 0.82 0.00 0.00 66.70 66.72 1iat h VAL 68 Cb 0.58 0.63 -0.01 0.00 -1.52 0.00 0.00 31.29 30.96 1iat h VAL 68 CO 0.03 0.35 0.05 0.44 0.02 0.00 0.00 177.57 178.46 1iat h ASP 69 N 0.94 0.35 -0.25 0.57 3.32 -0.77 -1.18 116.42 119.41 1iat h ASP 69 Ca 0.20 -0.04 -0.04 0.00 0.02 0.00 0.00 57.03 57.17 1iat h ASP 69 Cb 0.35 -0.09 -0.01 0.00 0.22 0.00 0.00 39.33 39.80 1iat h ASP 69 CO 0.00 0.38 0.02 0.25 -1.72 0.00 0.00 179.24 178.16 1iat h LEU 70 N 0.38 0.42 -0.83 1.55 5.85 -0.54 0.19 115.31 122.33 1iat h LEU 70 Ca 0.09 -0.29 0.08 0.00 0.84 0.00 0.00 57.88 58.60 1iat h LEU 70 Cb 0.18 -0.11 -0.07 0.00 0.37 0.00 0.00 40.66 41.03 1iat h LEU 70 CO -0.00 0.60 0.49 0.00 -0.34 0.00 0.00 178.44 179.20 1iat h ALA 71 N 0.83 1.16 -0.38 1.25 0.00 -0.60 0.10 119.26 121.63 1iat h ALA 71 Ca 0.07 0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.93 1iat h ALA 71 Cb 0.38 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 1iat h ALA 71 CO 0.01 0.17 -0.04 0.87 0.00 0.00 0.00 179.25 180.27 1iat h LYS 72 N 0.86 0.69 -0.18 0.00 1.57 -0.95 -2.38 116.57 116.17 1iat h LYS 72 Ca 0.38 -0.24 -0.05 0.00 -1.87 0.00 0.00 60.65 58.87 1iat h LYS 72 Cb 0.27 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.51 1iat h LYS 72 CO -0.21 0.81 -0.10 1.03 -0.57 0.00 0.00 179.45 180.41 1iat h SER 73 N 0.50 0.27 -0.07 0.86 0.87 -0.36 -1.41 113.55 114.20 1iat h SER 73 Ca 0.10 -0.05 0.00 0.00 -1.23 0.00 0.00 61.79 60.61 1iat h SER 73 Cb 0.52 -0.07 0.00 0.00 -0.44 0.00 0.00 62.40 62.41 1iat h SER 73 CO 0.03 0.41 0.00 0.54 -0.53 0.00 0.00 176.83 177.28 1iat n ARG 74 N -4.28 1.50 -2.40 2.24 5.12 -0.03 -4.93 116.66 113.88 1iat n ARG 74 Ca -0.00 -0.73 -0.08 0.00 -1.93 0.00 0.00 57.85 55.10 1iat n ARG 74 Cb 0.26 -1.41 0.01 0.00 -1.16 0.00 0.00 32.46 30.16 1iat n ARG 74 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1iat n GLY 75 N 1.07 0.15 0.24 -0.13 0.00 -0.53 -4.81 105.19 101.17 1iat n GLY 75 Ca 0.17 -0.48 -0.01 0.00 0.00 0.00 0.00 46.02 45.71 1iat n GLY 75 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1iat h VAL 76 N -0.33 0.85 -0.34 1.61 2.07 -1.66 -1.65 116.25 116.80 1iat h VAL 76 Ca -0.20 -0.17 -0.03 0.00 0.82 0.00 0.00 66.70 67.12 1iat h VAL 76 Cb 1.14 0.30 -0.01 0.00 -1.52 0.00 0.00 31.29 31.20 1iat h VAL 76 CO 0.22 0.09 0.10 -0.33 0.02 0.00 0.00 177.57 177.67 1iat h GLU 77 N 0.50 0.54 -0.43 1.57 5.08 -1.91 -0.48 114.58 119.45 1iat h GLU 77 Ca 0.30 -0.12 -0.09 0.00 -1.00 0.00 0.00 59.36 58.45 1iat h GLU 77 Cb 0.30 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.46 1iat h GLU 77 CO -0.25 0.58 -0.09 0.00 -1.00 0.00 0.00 179.01 178.25 1iat h ALA 78 N 0.94 1.04 -0.56 3.43 0.00 -1.92 -1.66 119.26 120.53 1iat h ALA 78 Ca 0.11 -0.30 -0.03 0.00 0.00 0.00 0.00 54.91 54.69 1iat h ALA 78 Cb 0.27 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 1iat h ALA 78 CO -0.00 0.58 0.23 0.00 0.00 0.00 0.00 179.25 180.06 1iat h ALA 79 N 1.21 0.72 -0.57 0.00 0.00 -1.09 -1.58 119.26 117.96 1iat h ALA 79 Ca 0.12 -0.16 0.06 0.00 0.00 0.00 0.00 54.91 54.93 1iat h ALA 79 Cb 0.55 -0.22 -0.05 0.00 0.00 0.00 0.00 17.79 18.07 1iat h ALA 79 CO 0.03 0.33 0.28 -0.09 0.00 0.00 0.00 179.25 179.80 1iat h ARG 80 N 0.76 0.51 -0.36 0.00 2.43 -0.68 -1.58 114.38 115.45 1iat h ARG 80 Ca 0.19 -0.03 -0.08 0.00 -0.81 0.00 0.00 59.98 59.24 1iat h ARG 80 Cb 0.19 -0.11 -0.02 0.00 -0.42 0.00 0.00 29.97 29.61 1iat h ARG 80 CO -0.02 0.33 -0.12 0.93 -1.51 0.00 0.00 179.97 179.59 1iat h GLU 81 N 0.52 0.62 -0.79 0.20 4.39 -1.00 -1.61 114.58 116.92 1iat h GLU 81 Ca 0.26 -0.19 -0.03 0.00 0.34 0.00 0.00 59.36 59.74 1iat h GLU 81 Cb 0.20 -0.06 -0.04 0.00 -0.10 0.00 0.00 28.75 28.76 1iat h GLU 81 CO -0.20 0.73 0.39 0.00 -1.16 0.00 0.00 179.01 178.77 1iat h ARG 82 N 0.57 1.13 0.60 2.33 3.08 -0.53 0.42 114.38 121.98 1iat h ARG 82 Ca 0.10 -0.16 -0.03 0.00 0.07 0.00 0.00 59.98 59.97 1iat h ARG 82 Cb 0.54 -0.21 0.01 0.00 0.08 0.00 0.00 29.97 30.39 1iat h ARG 82 CO 0.03 0.86 -0.29 1.98 -1.07 0.00 0.00 179.97 181.49 1iat h MET 83 N 1.12 -0.77 0.00 0.04 4.05 -0.67 -1.46 114.93 117.24 1iat h MET 83 Ca 0.27 0.05 -0.01 0.00 -0.28 0.00 0.00 59.70 59.73 1iat h MET 83 Cb 0.10 0.18 -0.00 0.00 -0.80 0.00 0.00 31.60 31.07 1iat h MET 83 CO -0.04 -0.49 -0.07 0.74 0.23 0.00 0.00 176.91 177.28 1iat h PHE 84 N -0.86 0.00 -0.08 1.39 0.04 -1.06 -2.32 116.94 114.05 1iat h PHE 84 Ca -0.08 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.69 1iat h PHE 84 Cb 0.64 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.79 1iat h PHE 84 CO -0.02 0.07 0.00 0.09 -0.60 0.00 0.00 178.31 177.84 1iat n ASN 85 N -3.94 1.20 0.00 2.17 3.02 0.12 -4.92 115.26 112.91 1iat n ASN 85 Ca -0.03 -1.53 0.00 0.00 -0.03 0.00 0.00 54.58 52.99 1iat n ASN 85 Cb 0.16 -0.05 0.00 0.00 -0.61 0.00 0.00 39.78 39.28 1iat n ASN 85 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1iat n GLY 86 N 1.08 0.42 3.80 7.41 0.00 -0.87 -4.23 105.19 112.80 1iat n GLY 86 Ca 0.17 -0.79 -0.33 0.00 0.00 0.00 0.00 46.02 45.07 1iat n GLY 86 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1iat s GLU 87 N -1.45 3.28 -1.43 1.61 2.02 -0.57 -4.66 118.70 117.51 1iat s GLU 87 Ca 0.00 1.19 -0.12 0.00 0.02 0.00 0.00 54.97 56.05 1iat s GLU 87 Cb 0.00 -2.03 0.06 0.00 0.10 0.00 0.00 34.13 32.26 1iat s GLU 87 CO 0.00 -0.84 2.23 1.63 0.02 0.00 0.00 175.26 178.30 1iat n LYS 88 N -2.12 3.16 0.14 1.61 5.02 -1.26 -4.20 118.16 120.51 1iat n LYS 88 Ca 0.09 -2.79 0.13 0.00 -2.02 0.00 0.00 58.31 53.71 1iat n LYS 88 Cb 0.53 -3.14 0.48 0.00 -0.02 0.00 0.00 35.03 32.88 1iat n LYS 88 CO 0.00 0.00 0.00 -0.84 -0.52 0.00 0.00 177.40 176.04 1iat h ILE 89 N 3.80 0.00 -1.61 -0.18 3.07 -1.86 -3.31 117.51 117.41 1iat h ILE 89 Ca 0.57 -0.34 -0.68 0.00 1.55 0.00 0.00 64.86 65.96 1iat h ILE 89 Cb 0.59 1.17 -0.13 0.00 -0.27 0.00 0.00 36.82 38.18 1iat h ILE 89 CO 1.81 0.00 1.53 0.21 -1.05 0.00 0.00 178.15 180.65 1iat s ASN 90 N -4.50 6.79 0.35 2.16 3.84 -0.61 -4.80 114.94 118.17 1iat s ASN 90 Ca 0.06 -2.32 0.18 0.00 0.21 0.00 0.00 52.86 50.99 1iat s ASN 90 Cb 0.10 -2.49 0.43 0.00 -0.55 0.00 0.00 41.25 38.74 1iat s ASN 90 CO 0.46 -1.10 1.61 0.10 -2.79 0.00 0.00 177.10 175.39 1iat h TYR 91 N 8.17 0.00 0.00 0.43 -0.00 -1.82 -0.24 116.97 123.50 1iat h TYR 91 Ca 0.30 0.00 -0.14 0.00 0.00 0.00 0.00 58.73 58.89 1iat h TYR 91 Cb 0.93 0.00 -0.02 0.00 0.00 0.00 0.00 36.73 37.64 1iat h TYR 91 CO 1.25 0.39 -0.65 1.79 -0.00 0.00 0.00 178.16 180.94 1iat h THR 92 N 0.00 1.24 -0.01 -0.90 1.35 -1.92 -3.21 112.91 109.47 1iat h THR 92 Ca -0.00 -2.42 0.00 0.00 -0.55 0.00 0.00 66.41 63.44 1iat h THR 92 Cb 1.10 2.39 0.00 0.00 -1.73 0.00 0.00 68.15 69.91 1iat h THR 92 CO 0.05 0.64 -0.56 -0.62 -0.25 0.00 0.00 175.52 174.78 1iat n GLU 93 N -3.44 1.13 -3.25 4.72 1.02 -1.13 -5.00 120.64 114.69 1iat n GLU 93 Ca 0.00 -0.73 -0.16 0.00 -0.02 0.00 0.00 57.16 56.25 1iat n GLU 93 Cb 0.72 -1.43 0.07 0.00 -0.02 0.00 0.00 31.44 30.78 1iat n GLU 93 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1iat n GLY 94 N 1.38 -0.21 3.27 0.62 0.00 -0.21 -5.03 105.19 105.01 1iat n GLY 94 Ca 0.07 0.02 -0.22 0.00 0.00 0.00 0.00 46.02 45.90 1iat n GLY 94 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1iat s ARG 95 N -5.56 1.09 0.99 1.61 0.52 -0.57 -5.01 118.95 112.02 1iat s ARG 95 Ca 0.23 -1.20 -0.15 0.00 -0.52 0.00 0.00 55.73 54.10 1iat s ARG 95 Cb -0.10 -1.21 0.19 0.00 0.52 0.00 0.00 34.95 34.35 1iat s ARG 95 CO 0.58 0.26 1.18 0.00 0.02 0.00 0.00 175.30 177.34 1iat s ALA 96 N -1.54 1.65 -0.32 2.13 0.00 -1.26 -1.57 121.76 120.85 1iat s ALA 96 Ca 0.08 -0.82 -0.02 0.00 0.00 0.00 0.00 51.96 51.20 1iat s ALA 96 Cb -0.08 -2.92 0.11 0.00 0.00 0.00 0.00 23.12 20.23 1iat s ALA 96 CO 0.04 -2.62 0.15 0.08 0.00 0.00 0.00 175.76 173.41 1iat s VAL 97 N -3.40 0.26 -0.27 0.00 1.01 -1.26 -4.37 120.40 112.38 1iat s VAL 97 Ca 0.68 -1.23 0.17 0.00 0.00 0.00 0.00 61.98 61.60 1iat s VAL 97 Cb -0.10 -1.21 0.49 0.00 0.00 0.00 0.00 36.38 35.55 1iat s VAL 97 CO 0.54 -0.79 1.14 0.18 0.00 0.00 0.00 175.10 176.16 1iat n LEU 98 N 4.77 2.82 0.21 3.92 4.77 -0.30 -4.70 117.00 128.48 1iat n LEU 98 Ca 0.00 -3.68 0.16 0.00 -0.03 0.00 0.00 56.01 52.45 1iat n LEU 98 Cb 0.40 0.17 0.80 0.00 -2.33 0.00 0.00 43.42 42.46 1iat n LEU 98 CO 0.09 1.44 1.14 1.12 -1.33 0.00 0.00 177.39 179.85 1iat h HIS 99 N 2.46 0.00 0.00 -1.77 2.07 -1.86 -0.94 115.15 115.11 1iat h HIS 99 Ca 0.05 0.00 -0.05 0.00 -2.85 0.00 0.00 60.37 57.52 1iat h HIS 99 Cb 1.36 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 31.34 1iat h HIS 99 CO 0.63 0.00 -0.22 -0.39 -3.07 0.00 0.00 177.93 174.88 1iat h VAL 100 N 0.00 0.80 -0.07 6.12 -1.51 -1.95 -2.20 116.25 117.43 1iat h VAL 100 Ca 0.08 -0.87 -0.12 0.00 -1.23 0.00 0.00 66.70 64.56 1iat h VAL 100 Cb 0.38 1.53 -0.01 0.00 -2.13 0.00 0.00 31.29 31.05 1iat h VAL 100 CO -0.00 0.21 -0.48 0.00 -1.23 0.00 0.00 177.57 176.08 1iat h ALA 101 N 1.78 1.07 -0.11 5.19 0.00 -1.53 -2.74 119.26 122.93 1iat h ALA 101 Ca -0.00 -0.45 0.01 0.00 0.00 0.00 0.00 54.91 54.47 1iat h ALA 101 Cb 0.51 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 1iat h ALA 101 CO 0.03 0.63 0.07 -0.07 0.00 0.00 0.00 179.25 179.91 1iat h LEU 102 N 0.14 0.07 -3.11 0.00 3.38 -1.38 -2.17 115.31 112.24 1iat h LEU 102 Ca 0.01 -0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.95 1iat h LEU 102 Cb 0.90 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.62 1iat h LEU 102 CO 0.07 0.05 -0.10 -2.11 0.09 0.00 0.00 178.44 176.44 1iat n ARG 103 N -4.52 1.80 -2.40 1.13 0.00 -1.17 -4.92 116.66 106.58 1iat n ARG 103 Ca -0.01 -2.86 -0.38 0.00 -0.00 0.00 0.00 57.85 54.60 1iat n ARG 103 Cb 0.13 -1.65 -0.02 0.00 -0.00 0.00 0.00 32.46 30.92 1iat n ARG 103 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.63 175.92 1iat n ASN 104 N -1.12 4.31 0.29 2.89 5.15 -0.82 -4.36 115.26 121.61 1iat n ASN 104 Ca 0.20 -2.85 0.17 0.00 -0.60 0.00 0.00 54.58 51.51 1iat n ASN 104 Cb 0.76 -1.75 0.87 0.00 -0.53 0.00 0.00 39.78 39.14 1iat n ASN 104 CO 0.00 0.00 0.00 0.03 1.40 0.00 0.00 177.26 178.69 1iat h ARG 105 N 8.27 0.00 0.00 1.20 2.47 -1.90 -1.62 114.38 122.80 1iat h ARG 105 Ca 0.37 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 59.09 1iat h ARG 105 Cb 0.89 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.21 1iat h ARG 105 CO 1.38 0.05 0.00 0.77 0.56 0.00 0.00 179.97 182.73 1iat h SER 106 N 0.00 0.00 -1.26 7.04 0.02 -2.00 -3.47 113.55 113.89 1iat h SER 106 Ca -0.00 0.00 -0.42 0.00 -0.84 0.00 0.00 61.79 60.53 1iat h SER 106 Cb 0.27 0.00 -0.15 0.00 0.14 0.00 0.00 62.40 62.66 1iat h SER 106 CO 0.01 0.00 -0.40 0.59 -1.14 0.00 0.00 176.83 175.88 1iat n ASN 107 N -2.38 -5.51 -4.77 3.07 5.03 -0.61 -4.97 115.26 105.12 1iat n ASN 107 Ca 0.03 0.45 -0.41 0.00 0.87 0.00 0.00 54.58 55.53 1iat n ASN 107 Cb 0.33 -4.83 -0.01 0.00 -1.02 0.00 0.00 39.78 34.25 1iat n ASN 107 CO 0.00 0.00 0.00 0.42 -1.83 0.00 0.00 177.26 175.85 1iat s THR 108 N -2.79 2.36 0.32 3.41 -4.23 -1.26 -4.92 115.64 108.52 1iat s THR 108 Ca 0.00 0.35 -0.29 0.00 -1.18 0.00 0.00 61.69 60.57 1iat s THR 108 Cb 0.00 -3.22 -0.11 0.00 1.34 0.00 0.00 72.50 70.51 1iat s THR 108 CO 0.00 0.08 1.58 -2.84 -0.54 0.00 0.00 174.62 172.90 1iat s PRO 109 N -2.05 4.11 -0.11 3.99 0.02 -1.26 -4.89 135.00 134.81 1iat s PRO 109 Ca 0.53 2.60 -0.01 0.00 0.02 0.00 0.00 61.00 64.14 1iat s PRO 109 Cb -0.43 -3.00 0.03 0.00 0.02 0.00 0.00 34.50 31.11 1iat s PRO 109 CO 0.57 -0.63 -0.07 0.42 -0.33 0.00 0.00 177.00 176.97 1iat s ILE 110 N -0.27 0.96 -0.12 2.83 1.01 -1.26 -5.03 121.20 119.32 1iat s ILE 110 Ca 0.61 -0.26 -0.12 0.00 0.00 0.00 0.00 60.65 60.88 1iat s ILE 110 Cb -0.48 -1.00 -0.05 0.00 0.01 0.00 0.00 42.46 40.94 1iat s ILE 110 CO 0.52 0.35 0.27 -0.76 0.00 0.00 0.00 174.94 175.32 1iat s LEU 111 N 1.73 4.32 -0.15 2.97 1.43 -1.26 -0.85 118.68 126.88 1iat s LEU 111 Ca 0.05 0.57 0.02 0.00 -1.03 0.00 0.00 54.13 53.74 1iat s LEU 111 Cb -0.13 -2.33 0.01 0.00 0.03 0.00 0.00 46.19 43.78 1iat s LEU 111 CO -0.08 0.22 -0.20 -0.69 0.23 0.00 0.00 176.35 175.83 1iat s VAL 112 N -0.19 1.93 -1.53 -1.59 1.01 -0.50 -4.28 120.40 115.25 1iat s VAL 112 Ca 0.17 -0.89 -0.10 0.00 0.00 0.00 0.00 61.98 61.16 1iat s VAL 112 Cb -0.13 -1.73 0.08 0.00 0.00 0.00 0.00 36.38 34.59 1iat s VAL 112 CO 0.05 0.52 0.74 0.47 0.00 0.00 0.00 175.10 176.89 1iat n ASP 113 N 4.27 -2.70 0.00 3.32 8.00 -1.26 -1.40 116.55 126.78 1iat n ASP 113 Ca -0.20 -0.92 0.00 0.00 0.71 0.00 0.00 54.79 54.39 1iat n ASP 113 Cb 0.51 -3.34 0.00 0.00 -0.02 0.00 0.00 41.12 38.27 1iat n ASP 113 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1iat n GLY 114 N -1.67 2.55 3.44 0.44 0.00 -1.26 -5.00 105.19 103.69 1iat n GLY 114 Ca -0.08 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.60 1iat n GLY 114 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1iat s LYS 115 N -0.00 3.57 0.19 1.61 2.20 -0.49 -4.96 119.74 121.86 1iat s LYS 115 Ca 0.00 -0.56 -0.32 0.00 -0.36 0.00 0.00 55.97 54.73 1iat s LYS 115 Cb 0.00 -2.91 -0.11 0.00 -1.51 0.00 0.00 37.83 33.29 1iat s LYS 115 CO 0.00 0.13 1.68 0.34 -0.36 0.00 0.00 175.35 177.14 1iat s ASP 116 N 0.64 6.45 0.00 1.43 2.15 -1.26 -1.41 116.67 124.67 1iat s ASP 116 Ca -0.03 2.77 0.26 0.00 0.43 0.00 0.00 52.55 55.98 1iat s ASP 116 Cb -0.15 -2.59 0.61 0.00 -0.30 0.00 0.00 42.92 40.49 1iat s ASP 116 CO 0.02 -0.93 1.49 1.33 -0.17 0.00 0.00 175.17 176.92 1iat n VAL 117 N 4.05 0.00 -0.26 1.11 0.24 -0.03 -4.41 118.33 119.03 1iat n VAL 117 Ca 0.15 -0.00 -0.06 0.00 -2.04 0.00 0.00 64.34 62.39 1iat n VAL 117 Cb 0.37 0.14 0.05 0.00 -1.47 0.00 0.00 33.84 32.93 1iat n VAL 117 CO 0.00 0.00 0.00 0.24 -2.14 0.00 0.00 176.83 174.93 1iat h MET 118 N 0.01 1.01 -0.92 7.34 2.86 -1.90 -1.64 114.93 121.69 1iat h MET 118 Ca 0.00 -0.13 0.07 0.00 -2.06 0.00 0.00 59.70 57.57 1iat h MET 118 Cb 0.50 -0.19 -0.06 0.00 0.06 0.00 0.00 31.60 31.90 1iat h MET 118 CO 0.00 0.78 0.58 -1.35 1.06 0.00 0.00 176.91 177.98 1iat h PRO 119 N 0.99 1.02 -0.03 -0.22 0.11 -1.98 -0.08 132.00 131.81 1iat h PRO 119 Ca 0.25 -0.06 -0.20 0.00 0.11 0.00 0.00 66.00 66.10 1iat h PRO 119 Cb 0.08 -0.23 -0.00 0.00 0.11 0.00 0.00 31.00 30.95 1iat h PRO 119 CO -0.04 0.67 -0.83 0.93 -0.21 0.00 0.00 178.00 178.53 1iat h GLU 120 N 1.05 0.34 -0.19 1.05 4.39 -1.76 0.32 114.58 119.78 1iat h GLU 120 Ca 0.40 -0.33 0.01 0.00 0.34 0.00 0.00 59.36 59.79 1iat h GLU 120 Cb 0.18 0.08 -0.02 0.00 -0.10 0.00 0.00 28.75 28.90 1iat h GLU 120 CO -0.18 1.00 0.08 0.28 -1.16 0.00 0.00 179.01 179.03 1iat h VAL 121 N 0.21 0.98 -0.10 3.13 2.07 -0.86 -1.63 116.25 120.05 1iat h VAL 121 Ca -0.05 -0.06 -0.11 0.00 0.82 0.00 0.00 66.70 67.30 1iat h VAL 121 Cb 1.43 0.78 -0.01 0.00 -1.52 0.00 0.00 31.29 31.97 1iat h VAL 121 CO 0.14 0.03 -0.45 0.78 0.02 0.00 0.00 177.57 178.09 1iat h ASN 122 N 0.18 0.24 -0.54 0.57 -0.26 -0.93 -1.70 115.58 113.15 1iat h ASN 122 Ca 0.08 -0.11 -0.05 0.00 -0.56 0.00 0.00 56.30 55.66 1iat h ASN 122 Cb 0.03 -0.07 -0.02 0.00 -1.06 0.00 0.00 38.32 37.20 1iat h ASN 122 CO -0.07 0.67 0.15 0.50 -1.06 0.00 0.00 177.43 177.62 1iat h LYS 123 N 0.19 0.85 -0.41 0.81 3.64 -0.61 -0.23 116.57 120.80 1iat h LYS 123 Ca 0.01 -0.19 -0.08 0.00 -1.27 0.00 0.00 60.65 59.12 1iat h LYS 123 Cb 0.87 -0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 32.56 1iat h LYS 123 CO 0.07 0.79 -0.05 0.28 -2.27 0.00 0.00 179.45 178.27 1iat h VAL 124 N 0.75 1.27 -0.70 2.00 2.07 -1.14 -1.23 116.25 119.27 1iat h VAL 124 Ca 0.17 -1.11 0.08 0.00 0.82 0.00 0.00 66.70 66.66 1iat h VAL 124 Cb 0.30 1.15 -0.06 0.00 -1.52 0.00 0.00 31.29 31.16 1iat h VAL 124 CO -0.00 0.37 0.37 -0.07 0.02 0.00 0.00 177.57 178.26 1iat h LEU 125 N 0.59 0.52 -0.94 2.57 3.38 -1.12 0.14 115.31 120.45 1iat h LEU 125 Ca 0.11 0.04 -0.06 0.00 0.09 0.00 0.00 57.88 58.06 1iat h LEU 125 Cb 0.55 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 41.23 1iat h LEU 125 CO 0.03 0.32 0.06 0.44 0.09 0.00 0.00 178.44 179.38 1iat h ASP 126 N 0.66 0.79 -0.42 -0.43 3.32 -0.76 -0.22 116.42 119.36 1iat h ASP 126 Ca 0.33 -0.17 -0.07 0.00 0.02 0.00 0.00 57.03 57.14 1iat h ASP 126 Cb 0.28 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 39.61 1iat h ASP 126 CO -0.22 0.82 -0.01 0.50 -1.72 0.00 0.00 179.24 178.60 1iat h LYS 127 N 0.79 0.75 -0.55 3.56 3.64 -0.38 -0.70 116.57 123.68 1iat h LYS 127 Ca 0.16 -0.25 0.02 0.00 -1.27 0.00 0.00 60.65 59.32 1iat h LYS 127 Cb 0.39 -0.06 -0.04 0.00 -0.41 0.00 0.00 32.23 32.11 1iat h LYS 127 CO 0.01 0.84 0.34 0.52 -2.27 0.00 0.00 179.45 178.88 1iat h MET 128 N 0.59 0.65 -0.42 1.90 2.86 -0.40 -1.09 114.93 119.02 1iat h MET 128 Ca 0.12 -0.04 -0.07 0.00 -2.06 0.00 0.00 59.70 57.65 1iat h MET 128 Cb 0.51 -0.15 -0.01 0.00 0.06 0.00 0.00 31.60 32.00 1iat h MET 128 CO 0.02 0.43 -0.02 -0.22 1.06 0.00 0.00 176.91 178.19 1iat h LYS 129 N 0.67 0.75 -0.38 1.72 3.64 -0.79 0.14 116.57 122.30 1iat h LYS 129 Ca 0.22 -0.25 -0.01 0.00 -1.27 0.00 0.00 60.65 59.35 1iat h LYS 129 Cb 0.01 -0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 31.75 1iat h LYS 129 CO -0.09 0.84 0.21 1.03 -2.27 0.00 0.00 179.45 179.17 1iat h SER 130 N 0.58 0.48 -0.45 4.20 0.87 -0.93 -0.34 113.55 117.94 1iat h SER 130 Ca 0.12 -0.08 -0.01 0.00 -1.23 0.00 0.00 61.79 60.58 1iat h SER 130 Cb 0.51 -0.12 -0.02 0.00 -0.44 0.00 0.00 62.40 62.33 1iat h SER 130 CO 0.03 0.42 0.23 0.15 -0.53 0.00 0.00 176.83 177.12 1iat h PHE 131 N 0.49 0.64 -0.79 2.24 3.57 -1.04 -2.37 116.94 119.68 1iat h PHE 131 Ca 0.14 -0.03 0.03 0.00 3.53 0.00 0.00 57.97 61.63 1iat h PHE 131 Cb 0.05 -0.20 -0.05 0.00 2.79 0.00 0.00 35.95 38.54 1iat h PHE 131 CO -0.03 0.51 0.51 0.00 -2.23 0.00 0.00 178.31 177.07 1iat h GLN 133 N 1.00 0.80 -0.41 0.00 4.20 -0.79 0.06 115.11 119.97 1iat h GLN 133 Ca 0.31 -0.07 -0.03 0.00 0.06 0.00 0.00 58.65 58.92 1iat h GLN 133 Cb -0.02 -0.17 -0.02 0.00 0.30 0.00 0.00 27.48 27.57 1iat h GLN 133 CO -0.10 0.58 0.16 0.00 -0.67 0.00 0.00 178.83 178.80 1iat h ARG 134 N 0.79 0.62 0.04 1.46 3.08 -0.86 -1.22 114.38 118.30 1iat h ARG 134 Ca 0.21 -0.12 -0.00 0.00 0.07 0.00 0.00 59.98 60.14 1iat h ARG 134 Cb -0.01 -0.10 0.00 0.00 0.08 0.00 0.00 29.97 29.94 1iat h ARG 134 CO -0.04 0.59 -0.02 0.28 -1.07 0.00 0.00 179.97 179.71 1iat h VAL 135 N 0.52 1.22 -0.14 2.04 2.07 -0.95 -0.36 116.25 120.65 1iat h VAL 135 Ca 0.14 -0.83 -0.07 0.00 0.82 0.00 0.00 66.70 66.75 1iat h VAL 135 Cb 0.21 1.78 -0.01 0.00 -1.52 0.00 0.00 31.29 31.74 1iat h VAL 135 CO -0.01 0.21 -0.22 0.03 0.02 0.00 0.00 177.57 177.60 1iat h ARG 136 N -0.41 0.24 0.00 1.57 3.08 -0.95 -2.72 114.38 115.19 1iat h ARG 136 Ca -0.00 -0.07 0.00 0.00 0.07 0.00 0.00 59.98 59.97 1iat h ARG 136 Cb 0.38 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.41 1iat h ARG 136 CO 0.01 0.46 0.00 0.66 -1.07 0.00 0.00 179.97 180.03 1iat h SER 137 N 0.22 0.00 0.00 7.04 4.64 -1.24 -3.47 113.55 120.74 1iat h SER 137 Ca 0.04 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.36 1iat h SER 137 Cb 0.52 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.61 1iat h SER 137 CO 0.04 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.61 1iat n GLY 138 N 1.21 0.70 0.26 -0.77 0.00 -1.03 -4.96 105.19 100.61 1iat n GLY 138 Ca 0.05 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.01 1iat n GLY 138 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1iat h ASP 139 N 0.00 0.71 -3.29 1.61 3.45 -1.46 -3.41 116.42 114.04 1iat h ASP 139 Ca 0.00 -0.25 -0.57 0.00 0.43 0.00 0.00 57.03 56.64 1iat h ASP 139 Cb 0.00 -0.20 -0.06 0.00 -0.56 0.00 0.00 39.33 38.51 1iat h ASP 139 CO 0.00 0.92 0.88 0.86 -1.57 0.00 0.00 179.24 180.34 1iat s TRP 140 N -4.58 3.01 0.06 4.55 -0.11 -0.27 -5.00 118.94 116.59 1iat s TRP 140 Ca -0.09 1.08 0.02 0.00 1.22 0.00 0.00 56.10 58.34 1iat s TRP 140 Cb 0.13 -3.79 -0.04 0.00 -1.50 0.00 0.00 33.47 28.27 1iat s TRP 140 CO 0.82 -1.05 0.07 0.15 -4.62 0.00 0.00 176.95 172.32 1iat s LYS 141 N 3.83 2.89 0.93 5.86 -0.14 -1.26 -4.26 119.74 127.58 1iat s LYS 141 Ca 0.48 -0.66 -0.16 0.00 -1.36 0.00 0.00 55.97 54.28 1iat s LYS 141 Cb -0.13 -2.73 0.22 0.00 -1.68 0.00 0.00 37.83 33.51 1iat s LYS 141 CO 0.18 0.58 1.01 0.41 -0.76 0.00 0.00 175.35 176.78 1iat n GLY 142 N 0.64 -2.10 0.28 -3.33 0.00 0.15 -4.84 105.19 95.99 1iat n GLY 142 Ca -0.10 -1.59 0.19 0.00 0.00 0.00 0.00 46.02 44.52 1iat n GLY 142 CO 0.00 0.00 0.00 0.10 0.00 0.00 0.00 173.32 173.42 1iat h TYR 143 N -2.10 0.00 -0.51 1.61 -0.00 -1.89 0.52 116.97 114.61 1iat h TYR 143 Ca -0.35 0.00 0.00 0.00 -0.00 0.00 0.00 58.73 58.38 1iat h TYR 143 Cb 1.02 0.00 0.00 0.00 -0.00 0.00 0.00 36.73 37.75 1iat h TYR 143 CO 0.00 0.00 0.00 0.25 -0.00 0.00 0.00 178.16 178.41 1iat n THR 144 N -2.97 1.26 -0.57 -0.90 -2.24 -1.26 -4.97 114.28 102.63 1iat n THR 144 Ca -0.01 -1.11 0.00 0.00 -2.27 0.00 0.00 64.05 60.66 1iat n THR 144 Cb 0.20 0.37 0.00 0.00 -2.10 0.00 0.00 70.33 68.79 1iat n THR 144 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1iat n GLY 145 N 0.87 0.72 3.93 3.38 0.00 0.18 -5.07 105.19 109.19 1iat n GLY 145 Ca 0.19 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.96 1iat n GLY 145 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1iat s LYS 146 N -0.43 3.52 0.59 1.61 1.02 -1.26 -4.73 119.74 120.06 1iat s LYS 146 Ca 0.00 -0.26 -0.14 0.00 0.02 0.00 0.00 55.97 55.59 1iat s LYS 146 Cb 0.00 -2.67 -0.05 0.00 -0.52 0.00 0.00 37.83 34.59 1iat s LYS 146 CO 0.00 0.18 1.02 0.95 -0.92 0.00 0.00 175.35 176.59 1iat s THR 147 N -2.23 4.36 -0.06 2.17 -4.23 -1.26 -0.68 115.64 113.71 1iat s THR 147 Ca 0.41 0.96 -0.30 0.00 -1.18 0.00 0.00 61.69 61.58 1iat s THR 147 Cb -0.10 -3.64 -0.02 0.00 1.34 0.00 0.00 72.50 70.08 1iat s THR 147 CO 0.34 -0.81 1.04 -0.63 -0.54 0.00 0.00 174.62 174.02 1iat s ILE 148 N -2.82 4.69 -0.20 2.99 -1.09 -1.26 -4.67 121.20 118.85 1iat s ILE 148 Ca 0.59 1.95 0.09 0.00 -2.23 0.00 0.00 60.65 61.05 1iat s ILE 148 Cb -0.12 -4.25 -0.13 0.00 -1.58 0.00 0.00 42.46 36.38 1iat s ILE 148 CO 0.43 0.06 0.29 0.35 -1.23 0.00 0.00 174.94 174.83 1iat n THR 149 N 4.33 0.00 -3.80 2.92 -2.24 0.17 -4.79 114.28 110.88 1iat n THR 149 Ca 0.08 -0.25 -0.14 0.00 -2.27 0.00 0.00 64.05 61.48 1iat n THR 149 Cb 0.49 0.61 -0.15 0.00 -2.10 0.00 0.00 70.33 69.17 1iat n THR 149 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1iat s ASP 150 N -2.55 0.01 -0.13 3.42 1.01 -1.02 -1.58 116.67 115.83 1iat s ASP 150 Ca -0.00 0.08 0.01 0.00 0.71 0.00 0.00 52.55 53.35 1iat s ASP 150 Cb 0.07 0.01 -0.01 0.00 1.01 0.00 0.00 42.92 44.00 1iat s ASP 150 CO 0.39 -0.09 -0.17 -0.69 0.21 0.00 0.00 175.17 174.82 1iat s VAL 151 N 0.75 2.66 -0.23 -1.27 1.01 0.48 -0.78 120.40 123.03 1iat s VAL 151 Ca -0.06 -0.79 0.02 0.00 0.00 0.00 0.00 61.98 61.15 1iat s VAL 151 Cb -0.09 -2.10 0.05 0.00 0.00 0.00 0.00 36.38 34.24 1iat s VAL 151 CO -0.02 0.53 -0.14 -0.63 0.00 0.00 0.00 175.10 174.84 1iat s ILE 152 N 0.52 2.05 -0.11 2.22 1.09 0.49 -0.74 121.20 126.72 1iat s ILE 152 Ca -0.11 -1.33 -0.22 0.00 -1.10 0.00 0.00 60.65 57.89 1iat s ILE 152 Cb -0.16 -2.06 -0.03 0.00 -1.06 0.00 0.00 42.46 39.14 1iat s ILE 152 CO 0.04 0.17 0.64 0.21 -0.10 0.00 0.00 174.94 175.91 1iat s ASN 153 N 1.20 6.85 -0.25 3.58 2.47 0.26 -0.42 114.94 128.64 1iat s ASN 153 Ca -0.04 1.02 -0.01 0.00 0.42 0.00 0.00 52.86 54.26 1iat s ASN 153 Cb -0.17 -2.37 0.03 0.00 -1.45 0.00 0.00 41.25 37.28 1iat s ASN 153 CO -0.08 -0.14 -0.07 -0.63 -3.72 0.00 0.00 177.10 172.46 1iat s ILE 154 N 1.10 2.79 -0.12 -5.21 1.01 0.26 -0.79 121.20 120.24 1iat s ILE 154 Ca 0.33 -1.05 -0.33 0.00 0.00 0.00 0.00 60.65 59.59 1iat s ILE 154 Cb -0.17 -2.42 0.14 0.00 0.01 0.00 0.00 42.46 40.03 1iat s ILE 154 CO 0.14 0.20 1.36 -0.83 0.00 0.00 0.00 174.94 175.82 1iat s GLY 155 N 1.31 -0.40 0.05 6.18 0.00 -0.76 -0.77 107.32 112.93 1iat s GLY 155 Ca -0.00 1.13 0.00 0.00 0.00 0.00 0.00 44.72 45.85 1iat s GLY 155 CO -0.05 0.28 -0.04 -1.50 0.00 0.00 0.00 173.10 171.79 1iat s ILE 156 N -2.19 0.31 0.00 0.90 2.07 -1.26 -3.89 121.20 117.14 1iat s ILE 156 Ca 0.14 -1.53 0.00 0.00 -1.41 0.00 0.00 60.65 57.84 1iat s ILE 156 Cb 0.04 -1.14 0.00 0.00 0.13 0.00 0.00 42.46 41.49 1iat s ILE 156 CO -0.05 -0.79 0.00 0.61 -1.91 0.00 0.00 174.94 172.80 1iat n GLY 157 N 0.60 4.22 0.22 1.50 0.00 -1.26 -2.10 105.19 108.37 1iat n GLY 157 Ca -0.17 0.10 0.15 0.00 0.00 0.00 0.00 46.02 46.10 1iat n GLY 157 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1iat h GLY 158 N 0.00 0.00 -1.37 -0.02 0.00 -1.98 0.70 103.07 100.40 1iat h GLY 158 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1iat h GLY 158 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 176.54 177.98 1iat n SER 159 N -2.66 2.18 0.02 0.19 7.64 -0.89 -4.48 113.62 115.62 1iat n SER 159 Ca -0.00 -1.90 0.00 0.00 1.01 0.00 0.00 58.87 57.98 1iat n SER 159 Cb 0.18 -0.22 0.00 0.00 -1.01 0.00 0.00 64.21 63.17 1iat n SER 159 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 1iat n ASP 160 N 0.67 0.05 -0.22 6.43 2.03 -0.11 -4.42 116.55 120.98 1iat n ASP 160 Ca 0.15 0.05 -0.05 0.00 0.52 0.00 0.00 54.79 55.46 1iat n ASP 160 Cb 0.37 0.02 0.10 0.00 -0.72 0.00 0.00 41.12 40.90 1iat n ASP 160 CO 0.00 0.00 0.00 -0.07 -1.92 0.00 0.00 177.20 175.21 1iat h LEU 161 N 0.00 0.98 0.54 -2.67 4.07 -1.17 -1.46 115.31 115.60 1iat h LEU 161 Ca 0.00 -0.18 -0.03 0.00 0.08 0.00 0.00 57.88 57.75 1iat h LEU 161 Cb 0.34 -0.26 0.01 0.00 1.08 0.00 0.00 40.66 41.83 1iat h LEU 161 CO 0.00 0.92 -0.26 1.23 -1.08 0.00 0.00 178.44 179.25 1iat h GLY 162 N 1.07 -0.76 0.75 0.83 0.00 -1.79 0.11 103.07 103.27 1iat h GLY 162 Ca 0.22 0.28 0.07 0.00 0.00 0.00 0.00 47.33 47.90 1iat h GLY 162 CO -0.00 -0.28 0.63 -2.55 0.00 0.00 0.00 176.54 174.34 1iat h PRO 163 N -1.06 1.07 -0.23 4.80 0.11 -1.86 0.28 132.00 135.12 1iat h PRO 163 Ca -0.07 -0.06 -0.04 0.00 0.11 0.00 0.00 66.00 65.93 1iat h PRO 163 Cb 0.63 -0.24 -0.01 0.00 0.11 0.00 0.00 31.00 31.49 1iat h PRO 163 CO 0.12 0.71 -0.00 1.25 -0.21 0.00 0.00 178.00 179.87 1iat h LEU 164 N 1.10 0.39 -0.77 2.35 6.46 -1.27 -0.57 115.31 123.00 1iat h LEU 164 Ca 0.43 -0.31 -0.02 0.00 -0.12 0.00 0.00 57.88 57.85 1iat h LEU 164 Cb 0.22 -0.11 -0.04 0.00 -0.73 0.00 0.00 40.66 40.01 1iat h LEU 164 CO -0.17 0.61 0.41 -0.03 -0.62 0.00 0.00 178.44 178.63 1iat h MET 165 N 0.17 1.08 -0.13 1.25 4.05 -0.43 -1.46 114.93 119.46 1iat h MET 165 Ca 0.06 -0.14 -0.19 0.00 -0.28 0.00 0.00 59.70 59.16 1iat h MET 165 Cb 0.41 -0.21 0.01 0.00 -0.80 0.00 0.00 31.60 31.01 1iat h MET 165 CO 0.01 0.81 -0.65 0.28 0.23 0.00 0.00 176.91 177.60 1iat h VAL 166 N 1.07 1.32 -0.36 -5.77 2.07 -0.89 -0.93 116.25 112.76 1iat h VAL 166 Ca 0.27 -1.91 -0.05 0.00 0.82 0.00 0.00 66.70 65.83 1iat h VAL 166 Cb 0.06 2.09 -0.02 0.00 -1.52 0.00 0.00 31.29 31.90 1iat h VAL 166 CO -0.04 0.59 -0.00 0.71 0.02 0.00 0.00 177.57 178.85 1iat h THR 167 N 0.34 1.21 -0.36 2.57 1.35 -1.00 -0.19 112.91 116.83 1iat h THR 167 Ca -0.05 -0.83 -0.04 0.00 -0.55 0.00 0.00 66.41 64.94 1iat h THR 167 Cb 1.29 0.94 -0.01 0.00 -1.73 0.00 0.00 68.15 68.63 1iat h THR 167 CO 0.13 0.28 0.05 -0.33 -0.25 0.00 0.00 175.52 175.41 1iat h GLU 168 N 0.54 0.60 0.00 4.72 4.39 -1.19 -2.58 114.58 121.06 1iat h GLU 168 Ca 0.11 -0.16 -0.08 0.00 0.34 0.00 0.00 59.36 59.57 1iat h GLU 168 Cb 0.35 -0.07 -0.01 0.00 -0.10 0.00 0.00 28.75 28.92 1iat h GLU 168 CO 0.01 0.67 -0.40 0.00 -1.16 0.00 0.00 179.01 178.14 1iat h ALA 169 N 0.90 1.33 -0.46 3.43 0.00 -0.72 -3.12 119.26 120.60 1iat h ALA 169 Ca 0.11 -0.36 -0.15 0.00 0.00 0.00 0.00 54.91 54.51 1iat h ALA 169 Cb 0.37 -0.06 -0.09 0.00 0.00 0.00 0.00 17.79 18.01 1iat h ALA 169 CO 0.01 0.50 0.09 1.28 0.00 0.00 0.00 179.25 181.13 1iat n LEU 170 N -4.04 4.72 -0.34 0.00 4.77 -0.12 -4.74 117.00 117.25 1iat n LEU 170 Ca -0.02 -3.35 0.17 0.00 -0.03 0.00 0.00 56.01 52.78 1iat n LEU 170 Cb 0.43 -0.65 0.40 0.00 -2.33 0.00 0.00 43.42 41.28 1iat n LEU 170 CO 0.39 0.92 1.19 0.50 -1.33 0.00 0.00 177.39 179.06 1iat h LYS 171 N 1.71 0.57 0.00 3.23 1.63 -1.40 0.22 116.57 122.53 1iat h LYS 171 Ca 0.18 -0.03 0.00 0.00 -0.85 0.00 0.00 60.65 59.95 1iat h LYS 171 Cb 1.84 -0.13 0.00 0.00 -0.60 0.00 0.00 32.23 33.34 1iat h LYS 171 CO 0.47 0.38 0.00 -1.35 -3.45 0.00 0.00 179.45 175.49 1iat h PRO 172 N 0.58 0.00 -0.64 1.90 0.11 -1.89 -2.15 132.00 129.92 1iat h PRO 172 Ca 0.60 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.71 1iat h PRO 172 Cb 1.19 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.30 1iat h PRO 172 CO -0.38 0.00 0.00 0.66 -0.21 0.00 0.00 178.00 178.07 1iat n TYR 173 N -2.62 1.30 -0.60 0.65 4.01 0.07 -4.48 117.16 115.49 1iat n TYR 173 Ca -0.01 -0.52 0.10 0.00 -0.16 0.00 0.00 57.90 57.31 1iat n TYR 173 Cb 0.12 -0.22 0.35 0.00 -0.31 0.00 0.00 39.34 39.29 1iat n TYR 173 CO 0.00 0.00 0.00 -1.13 -0.46 0.00 0.00 176.86 175.27 1iat n SER 174 N 0.98 4.67 -4.71 7.72 3.41 -0.81 -4.46 113.62 120.42 1iat n SER 174 Ca 0.23 -2.39 -0.43 0.00 -0.26 0.00 0.00 58.87 56.01 1iat n SER 174 Cb 0.79 -0.57 -0.03 0.00 -0.26 0.00 0.00 64.21 64.15 1iat n SER 174 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 1iat n SER 175 N 1.19 3.65 0.00 4.04 2.88 -1.26 -1.32 113.62 122.79 1iat n SER 175 Ca 0.26 1.10 0.00 0.00 -1.33 0.00 0.00 58.87 58.90 1iat n SER 175 Cb 0.86 -1.54 0.00 0.00 -0.75 0.00 0.00 64.21 62.78 1iat n SER 175 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1iat n GLY 176 N 3.05 0.85 3.91 0.46 0.00 -1.26 -4.98 105.19 107.22 1iat n GLY 176 Ca 0.13 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.91 1iat n GLY 176 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1iat s GLY 177 N -1.97 1.53 0.87 -0.02 0.00 -0.44 -4.94 107.32 102.36 1iat s GLY 177 Ca 0.00 -1.17 -0.11 0.00 0.00 0.00 0.00 44.72 43.44 1iat s GLY 177 CO 0.00 -1.19 1.09 2.56 0.00 0.00 0.00 173.10 175.57 1iat s PRO 178 N -3.49 1.44 0.50 2.90 0.04 -1.26 -4.99 135.00 130.13 1iat s PRO 178 Ca 0.33 0.96 -0.21 0.00 0.04 0.00 0.00 61.00 62.12 1iat s PRO 178 Cb -0.10 -1.82 -0.07 0.00 0.04 0.00 0.00 34.50 32.56 1iat s PRO 178 CO 0.27 -2.15 1.16 1.03 0.04 0.00 0.00 177.00 177.34 1iat s ARG 179 N -4.89 3.56 -0.02 4.56 0.52 -0.62 -4.72 118.95 117.34 1iat s ARG 179 Ca 0.63 1.72 0.07 0.00 -0.52 0.00 0.00 55.73 57.63 1iat s ARG 179 Cb -0.18 -2.23 -0.02 0.00 0.52 0.00 0.00 34.95 33.04 1iat s ARG 179 CO 0.57 -0.70 -0.24 0.14 0.02 0.00 0.00 175.30 175.09 1iat s VAL 180 N -1.63 1.91 0.05 3.52 -7.23 -1.26 -0.38 120.40 115.37 1iat s VAL 180 Ca 0.68 -1.03 0.06 0.00 -1.81 0.00 0.00 61.98 59.88 1iat s VAL 180 Cb -0.27 -1.59 -0.02 0.00 0.56 0.00 0.00 36.38 35.06 1iat s VAL 180 CO 0.32 0.54 -0.17 0.26 -0.31 0.00 0.00 175.10 175.73 1iat s TRP 181 N -0.50 1.51 -0.18 2.82 0.52 0.08 -4.96 118.94 118.24 1iat s TRP 181 Ca 0.07 -0.37 0.01 0.00 0.02 0.00 0.00 56.10 55.83 1iat s TRP 181 Cb -0.10 -0.89 0.02 0.00 -1.15 0.00 0.00 33.47 31.36 1iat s TRP 181 CO -0.00 0.08 -0.18 0.71 0.02 0.00 0.00 176.95 177.58 1iat s TYR 182 N -0.88 2.65 -0.14 -1.98 2.02 -1.26 -0.57 117.35 117.19 1iat s TYR 182 Ca 0.04 -1.59 -0.00 0.00 -0.37 0.00 0.00 57.07 55.15 1iat s TYR 182 Cb -0.09 -1.83 -0.01 0.00 -0.40 0.00 0.00 41.96 39.63 1iat s TYR 182 CO 0.02 -0.78 -0.13 0.08 -1.57 0.00 0.00 175.55 173.16 1iat s VAL 183 N 1.33 2.95 0.00 0.71 1.01 0.03 -4.98 120.40 121.45 1iat s VAL 183 Ca 0.04 -0.69 0.00 0.00 0.00 0.00 0.00 61.98 61.33 1iat s VAL 183 Cb -0.14 -2.24 0.00 0.00 0.00 0.00 0.00 36.38 34.00 1iat s VAL 183 CO -0.12 0.52 0.00 -1.54 0.00 0.00 0.00 175.10 173.96 1iat n SER 184 N 3.69 0.17 -4.77 3.32 3.41 -1.25 -1.82 113.62 116.37 1iat n SER 184 Ca -0.18 0.00 -0.38 0.00 -0.26 0.00 0.00 58.87 58.05 1iat n SER 184 Cb 0.52 0.00 -0.00 0.00 -0.26 0.00 0.00 64.21 64.47 1iat n SER 184 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 175.04 175.09 1iat s ASN 185 N -3.61 6.11 0.36 4.04 3.84 -1.26 -4.63 114.94 119.80 1iat s ASN 185 Ca 0.00 2.39 0.09 0.00 0.21 0.00 0.00 52.86 55.55 1iat s ASN 185 Cb 0.00 -2.61 0.70 0.00 -0.55 0.00 0.00 41.25 38.79 1iat s ASN 185 CO 0.00 -0.96 1.86 -0.29 -2.79 0.00 0.00 177.10 174.92 1iat h ILE 186 N 1.92 1.21 -1.07 -5.21 6.09 -1.98 -3.44 117.51 115.03 1iat h ILE 186 Ca -0.49 -0.97 -0.85 0.00 -1.37 0.00 0.00 64.86 61.18 1iat h ILE 186 Cb 1.25 1.33 0.02 0.00 0.47 0.00 0.00 36.82 39.89 1iat h ILE 186 CO 0.60 0.30 0.61 -0.67 -3.07 0.00 0.00 178.15 175.92 1iat n ASP 187 N -4.21 1.16 0.28 2.19 -0.08 -1.26 -4.75 116.55 109.88 1iat n ASP 187 Ca -0.01 1.17 0.19 0.00 -1.51 0.00 0.00 54.79 54.63 1iat n ASP 187 Cb 0.32 -0.92 0.90 0.00 2.34 0.00 0.00 41.12 43.76 1iat n ASP 187 CO 0.00 0.00 0.00 1.23 0.12 0.00 0.00 177.20 178.55 1iat h GLY 188 N 4.92 0.00 -0.01 0.27 0.00 -2.02 -0.59 103.07 105.63 1iat h GLY 188 Ca -0.45 0.00 0.20 0.00 0.00 0.00 0.00 47.33 47.08 1iat h GLY 188 CO 0.92 0.00 0.51 -0.84 0.00 0.00 0.00 176.54 177.14 1iat h THR 189 N 0.00 0.61 0.48 4.70 2.02 -1.94 -0.40 112.91 118.38 1iat h THR 189 Ca 0.00 -0.20 -0.02 0.00 0.77 0.00 0.00 66.41 66.95 1iat h THR 189 Cb 0.23 -0.04 0.00 0.00 -1.74 0.00 0.00 68.15 66.61 1iat h THR 189 CO 0.00 0.11 -0.23 -0.74 0.37 0.00 0.00 175.52 175.03 1iat h HIS 190 N 0.59 -0.60 -0.32 3.16 2.76 -1.39 -1.39 115.15 117.96 1iat h HIS 190 Ca 0.57 -0.01 -0.13 0.00 -2.20 0.00 0.00 60.37 58.59 1iat h HIS 190 Cb 0.97 0.20 -0.01 0.00 1.55 0.00 0.00 27.41 30.12 1iat h HIS 190 CO -0.06 -0.29 -0.33 0.97 -1.30 0.00 0.00 177.93 176.92 1iat h ILE 191 N -0.87 1.28 -0.18 6.26 6.09 -1.72 -2.93 117.51 125.44 1iat h ILE 191 Ca -0.07 -1.48 -0.00 0.00 -1.37 0.00 0.00 64.86 61.94 1iat h ILE 191 Cb 0.58 1.39 -0.01 0.00 0.47 0.00 0.00 36.82 39.26 1iat h ILE 191 CO 0.11 0.48 0.10 0.00 -3.07 0.00 0.00 178.15 175.77 1iat h ALA 192 N 1.02 0.23 0.00 0.18 0.00 -0.99 0.22 119.26 119.92 1iat h ALA 192 Ca 0.06 -0.05 -0.04 0.00 0.00 0.00 0.00 54.91 54.88 1iat h ALA 192 Cb 0.86 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.57 1iat h ALA 192 CO 0.07 -0.24 -0.18 1.57 0.00 0.00 0.00 179.25 180.47 1iat h LYS 193 N 0.20 0.00 0.02 0.00 2.10 -1.31 -2.28 116.57 115.29 1iat h LYS 193 Ca 0.06 0.00 -0.00 0.00 -2.00 0.00 0.00 60.65 58.71 1iat h LYS 193 Cb 0.06 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.39 1iat h LYS 193 CO -0.01 0.18 -0.01 1.15 -2.00 0.00 0.00 179.45 178.76 1iat h THR 194 N 0.00 1.43 -0.43 0.07 2.02 -1.27 -3.31 112.91 111.41 1iat h THR 194 Ca -0.00 -1.80 0.06 0.00 0.77 0.00 0.00 66.41 65.43 1iat h THR 194 Cb 0.65 2.57 -0.02 0.00 -1.74 0.00 0.00 68.15 69.61 1iat h THR 194 CO 0.02 0.44 0.29 -0.07 0.37 0.00 0.00 175.52 176.57 1iat h LEU 195 N -0.87 0.31 -2.64 2.58 3.38 -0.87 -0.78 115.31 116.43 1iat h LEU 195 Ca -0.00 -0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.96 1iat h LEU 195 Cb 0.74 -0.07 -0.00 0.00 0.09 0.00 0.00 40.66 41.42 1iat h LEU 195 CO 0.01 0.21 -0.01 0.00 0.09 0.00 0.00 178.44 178.73 1iat h ALA 196 N 1.77 1.11 -0.38 1.53 0.00 -1.50 -1.58 119.26 120.21 1iat h ALA 196 Ca 0.19 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.09 1iat h ALA 196 Cb 0.29 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.08 1iat h ALA 196 CO -0.04 0.01 0.00 1.04 0.00 0.00 0.00 179.25 180.26 1iat n GLN 197 N -3.25 2.46 -4.39 0.00 6.02 -0.30 -5.00 117.38 112.92 1iat n GLN 197 Ca -0.02 -2.21 -0.25 0.00 -0.01 0.00 0.00 57.00 54.51 1iat n GLN 197 Cb 0.11 -1.51 -0.10 0.00 1.02 0.00 0.00 30.24 29.77 1iat n GLN 197 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 1iat s LEU 198 N -1.49 2.75 -0.21 1.08 1.43 -0.59 -5.12 118.68 116.54 1iat s LEU 198 Ca 0.39 -0.84 -0.04 0.00 -1.03 0.00 0.00 54.13 52.60 1iat s LEU 198 Cb 0.22 -1.34 -0.02 0.00 0.03 0.00 0.00 46.19 45.09 1iat s LEU 198 CO 0.31 0.06 -0.02 0.21 0.23 0.00 0.00 176.35 177.14 1iat s ASN 199 N -3.26 4.59 0.56 2.29 3.84 -1.26 -5.00 114.94 116.69 1iat s ASN 199 Ca 0.28 -0.29 0.25 0.00 0.21 0.00 0.00 52.86 53.30 1iat s ASN 199 Cb -0.07 -1.79 1.53 0.00 -0.55 0.00 0.00 41.25 40.38 1iat s ASN 199 CO 0.15 0.02 2.13 -0.65 -2.79 0.00 0.00 177.10 175.96 1iat h PRO 200 N 7.79 0.00 0.00 0.43 0.11 -1.95 -1.70 132.00 136.68 1iat h PRO 200 Ca -0.38 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.71 1iat h PRO 200 Cb 1.17 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.28 1iat h PRO 200 CO 0.60 0.00 -0.08 0.93 -0.21 0.00 0.00 178.00 179.24 1iat h GLU 201 N 0.00 0.00 0.00 1.05 5.08 -1.98 -3.19 114.58 115.54 1iat h GLU 201 Ca 0.07 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.43 1iat h GLU 201 Cb 0.34 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.59 1iat h GLU 201 CO -0.00 0.08 -0.16 -1.13 -1.00 0.00 0.00 179.01 176.79 1iat n SER 202 N -3.32 1.45 -4.39 1.42 3.41 -0.66 -4.36 113.62 107.16 1iat n SER 202 Ca -0.01 -2.56 -0.33 0.00 -0.26 0.00 0.00 58.87 55.71 1iat n SER 202 Cb 0.27 -0.30 -0.14 0.00 -0.26 0.00 0.00 64.21 63.77 1iat n SER 202 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 1iat s SER 203 N -2.00 4.04 -0.18 4.04 0.01 -1.10 -0.65 113.70 117.86 1iat s SER 203 Ca 0.18 -0.30 -0.03 0.00 1.31 0.00 0.00 55.95 57.12 1iat s SER 203 Cb 0.16 -1.49 -0.01 0.00 0.21 0.00 0.00 66.02 64.89 1iat s SER 203 CO 0.02 0.20 -0.07 -0.22 0.41 0.00 0.00 173.24 173.57 1iat s LEU 204 N 0.16 2.87 -0.14 2.44 2.96 0.04 -4.81 118.68 122.20 1iat s LEU 204 Ca -0.07 -0.34 -0.08 0.00 -0.22 0.00 0.00 54.13 53.43 1iat s LEU 204 Cb -0.15 -1.70 -0.04 0.00 0.50 0.00 0.00 46.19 44.80 1iat s LEU 204 CO 0.05 0.07 0.13 -0.36 -1.32 0.00 0.00 176.35 174.91 1iat s PHE 205 N 0.94 3.51 -0.24 5.38 0.40 0.87 -0.38 117.98 128.46 1iat s PHE 205 Ca -0.01 0.43 -0.00 0.00 -0.60 0.00 0.00 56.93 56.75 1iat s PHE 205 Cb -0.15 -2.00 0.03 0.00 0.51 0.00 0.00 43.02 41.41 1iat s PHE 205 CO 0.00 0.57 -0.09 0.42 0.70 0.00 0.00 175.22 176.82 1iat s ILE 206 N -0.56 2.63 -0.38 0.64 1.01 0.44 -1.26 121.20 123.73 1iat s ILE 206 Ca 0.12 -1.10 -0.16 0.00 0.00 0.00 0.00 60.65 59.51 1iat s ILE 206 Cb -0.12 -2.33 0.01 0.00 0.01 0.00 0.00 42.46 40.02 1iat s ILE 206 CO 0.02 0.22 0.39 -0.63 0.00 0.00 0.00 174.94 174.94 1iat s ILE 207 N 1.29 5.14 -0.31 2.92 -1.09 0.29 -0.58 121.20 128.86 1iat s ILE 207 Ca -0.00 -0.18 -0.03 0.00 -2.23 0.00 0.00 60.65 58.20 1iat s ILE 207 Cb -0.17 -3.93 0.04 0.00 -1.58 0.00 0.00 42.46 36.83 1iat s ILE 207 CO -0.06 -0.25 0.03 0.00 -1.23 0.00 0.00 174.94 173.43 1iat s ALA 208 N 2.04 2.89 -0.30 9.38 0.00 0.05 -1.17 121.76 134.65 1iat s ALA 208 Ca 0.11 -1.74 -0.11 0.00 0.00 0.00 0.00 51.96 50.23 1iat s ALA 208 Cb -0.17 -2.04 0.13 0.00 0.00 0.00 0.00 23.12 21.04 1iat s ALA 208 CO 0.12 -1.27 0.67 0.45 0.00 0.00 0.00 175.76 175.74 1iat s SER 209 N 1.31 -1.10 0.15 0.00 0.15 -0.66 -4.37 113.70 109.18 1iat s SER 209 Ca -0.04 1.53 -0.17 0.00 0.70 0.00 0.00 55.95 57.97 1iat s SER 209 Cb -0.19 2.18 0.04 0.00 -1.71 0.00 0.00 66.02 66.33 1iat s SER 209 CO 0.00 -0.22 1.73 0.50 1.20 0.00 0.00 173.24 176.45 1iat h LYS 210 N 7.86 0.15 0.00 5.44 3.64 -1.95 -2.79 116.57 128.92 1iat h LYS 210 Ca -0.19 -0.01 -0.13 0.00 -1.27 0.00 0.00 60.65 59.05 1iat h LYS 210 Cb 1.11 -0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 32.88 1iat h LYS 210 CO 0.11 0.10 -0.96 1.79 -2.27 0.00 0.00 179.45 178.21 1iat h THR 211 N 0.16 0.68 -2.09 1.00 1.35 -1.96 -1.66 112.91 110.39 1iat h THR 211 Ca 0.15 -2.10 -0.38 0.00 -0.55 0.00 0.00 66.41 63.52 1iat h THR 211 Cb 0.17 2.22 -0.06 0.00 -1.73 0.00 0.00 68.15 68.74 1iat h THR 211 CO -0.20 0.39 -0.44 0.33 -0.25 0.00 0.00 175.52 175.35 1iat n PHE 212 N -3.05 -0.60 -0.42 4.73 -0.00 -1.05 -4.62 117.46 112.46 1iat n PHE 212 Ca -0.04 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.41 1iat n PHE 212 Cb 0.78 -3.52 0.00 0.00 -0.00 0.00 0.00 39.48 36.74 1iat n PHE 212 CO 0.00 0.00 0.00 0.25 -0.00 0.00 0.00 176.76 177.01 1iat n THR 213 N -3.49 0.00 -1.68 -2.13 -2.24 -1.26 -4.91 114.28 98.57 1iat n THR 213 Ca -0.21 -0.28 -0.45 0.00 -2.27 0.00 0.00 64.05 60.84 1iat n THR 213 Cb 0.65 1.42 -0.04 0.00 -2.10 0.00 0.00 70.33 70.26 1iat n THR 213 CO 0.00 0.00 0.00 0.41 -0.57 0.00 0.00 175.07 174.91 1iat n THR 214 N -0.03 0.29 -0.15 4.28 -1.04 -1.26 -4.84 114.28 111.52 1iat n THR 214 Ca 0.00 -0.05 -0.05 0.00 -2.04 0.00 0.00 64.05 61.91 1iat n THR 214 Cb 0.10 -1.86 0.04 0.00 -1.82 0.00 0.00 70.33 66.79 1iat n THR 214 CO 0.00 0.00 0.00 -0.61 -0.64 0.00 0.00 175.07 173.82 1iat h GLN 215 N 7.78 0.47 -0.33 -2.82 4.15 -1.99 -1.32 115.11 121.05 1iat h GLN 215 Ca -0.46 -0.03 -0.00 0.00 0.77 0.00 0.00 58.65 58.93 1iat h GLN 215 Cb 1.24 -0.11 -0.02 0.00 0.21 0.00 0.00 27.48 28.81 1iat h GLN 215 CO 0.93 0.31 0.20 0.93 -1.93 0.00 0.00 178.83 179.27 1iat h GLU 216 N 0.48 0.44 -0.19 1.69 3.07 -1.94 -1.37 114.58 116.76 1iat h GLU 216 Ca 0.21 -0.04 -0.04 0.00 -0.50 0.00 0.00 59.36 58.99 1iat h GLU 216 Cb 0.11 -0.09 -0.01 0.00 -0.84 0.00 0.00 28.75 27.92 1iat h GLU 216 CO -0.14 0.33 -0.05 1.15 -1.40 0.00 0.00 179.01 178.89 1iat h THR 217 N 0.43 1.29 -0.42 1.13 2.02 -1.79 -1.03 112.91 114.54 1iat h THR 217 Ca 0.12 -1.04 -0.10 0.00 0.77 0.00 0.00 66.41 66.16 1iat h THR 217 Cb -0.01 1.59 -0.02 0.00 -1.74 0.00 0.00 68.15 67.97 1iat h THR 217 CO -0.02 0.31 -0.14 0.40 0.37 0.00 0.00 175.52 176.44 1iat h ILE 218 N 0.08 1.26 -0.39 3.11 1.08 -1.23 1.00 117.51 122.42 1iat h ILE 218 Ca 0.05 -1.21 -0.07 0.00 -0.39 0.00 0.00 64.86 63.24 1iat h ILE 218 Cb 0.50 1.09 -0.01 0.00 -3.07 0.00 0.00 36.82 35.33 1iat h ILE 218 CO 0.02 0.41 -0.02 0.74 -0.69 0.00 0.00 178.15 178.61 1iat h THR 219 N 0.70 1.26 -0.88 -0.27 2.02 -1.21 -0.47 112.91 114.07 1iat h THR 219 Ca 0.11 -1.04 0.00 0.00 0.77 0.00 0.00 66.41 66.25 1iat h THR 219 Cb 0.63 1.15 -0.04 0.00 -1.74 0.00 0.00 68.15 68.15 1iat h THR 219 CO 0.04 0.35 0.55 0.78 0.37 0.00 0.00 175.52 177.61 1iat h ASN 220 N 0.53 1.04 -0.67 4.18 2.35 -0.98 -0.99 115.58 121.03 1iat h ASN 220 Ca 0.11 -0.05 -0.01 0.00 -0.55 0.00 0.00 56.30 55.79 1iat h ASN 220 Cb 0.50 -0.26 -0.03 0.00 0.05 0.00 0.00 38.32 38.58 1iat h ASN 220 CO 0.02 0.78 0.36 0.00 -1.65 0.00 0.00 177.43 176.95 1iat h ALA 221 N 1.30 0.86 -0.50 -0.83 0.00 -0.53 -0.71 119.26 118.85 1iat h ALA 221 Ca 0.32 -0.11 -0.09 0.00 0.00 0.00 0.00 54.91 55.03 1iat h ALA 221 Cb -0.08 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.42 1iat h ALA 221 CO -0.06 0.38 -0.06 0.93 0.00 0.00 0.00 179.25 180.44 1iat h GLU 222 N 0.92 0.88 -0.61 0.00 5.08 -0.70 0.53 114.58 120.68 1iat h GLU 222 Ca 0.24 -0.28 -0.07 0.00 -1.00 0.00 0.00 59.36 58.25 1iat h GLU 222 Cb 0.04 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.19 1iat h GLU 222 CO -0.04 0.91 0.12 1.15 -1.00 0.00 0.00 179.01 180.15 1iat h THR 223 N 0.80 1.26 -0.56 1.13 2.02 -0.85 -0.50 112.91 116.20 1iat h THR 223 Ca 0.14 -0.97 -0.05 0.00 0.77 0.00 0.00 66.41 66.31 1iat h THR 223 Cb 0.56 0.71 -0.02 0.00 -1.74 0.00 0.00 68.15 67.66 1iat h THR 223 CO 0.03 0.36 0.17 0.00 0.37 0.00 0.00 175.52 176.45 1iat h ALA 224 N 1.03 0.74 -0.60 6.16 0.00 -0.81 -1.78 119.26 124.00 1iat h ALA 224 Ca 0.19 -0.20 -0.08 0.00 0.00 0.00 0.00 54.91 54.81 1iat h ALA 224 Cb 0.40 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 1iat h ALA 224 CO 0.01 0.41 0.05 -0.22 0.00 0.00 0.00 179.25 179.51 1iat h LYS 225 N 0.79 1.00 -0.42 0.00 3.64 -0.63 -0.13 116.57 120.82 1iat h LYS 225 Ca 0.18 -0.27 -0.03 0.00 -1.27 0.00 0.00 60.65 59.26 1iat h LYS 225 Cb 0.30 -0.11 -0.02 0.00 -0.41 0.00 0.00 32.23 31.99 1iat h LYS 225 CO -0.00 0.95 0.15 1.49 -2.27 0.00 0.00 179.45 179.76 1iat h GLU 226 N 0.93 0.65 -0.60 1.90 4.81 -0.96 0.12 114.58 121.42 1iat h GLU 226 Ca 0.18 -0.13 -0.01 0.00 -0.13 0.00 0.00 59.36 59.27 1iat h GLU 226 Cb 0.46 -0.10 -0.03 0.00 0.63 0.00 0.00 28.75 29.72 1iat h GLU 226 CO 0.02 0.62 0.34 2.35 -0.73 0.00 0.00 179.01 181.61 1iat h TRP 227 N 0.54 0.81 -0.28 0.92 7.01 -1.03 -1.17 115.95 122.75 1iat h TRP 227 Ca 0.14 -0.01 -0.00 0.00 2.11 0.00 0.00 58.89 61.12 1iat h TRP 227 Cb 0.23 -0.26 -0.01 0.00 -2.10 0.00 0.00 29.16 27.02 1iat h TRP 227 CO 0.01 0.58 0.16 0.35 -2.79 0.00 0.00 178.44 176.74 1iat h PHE 228 N 0.81 0.37 0.00 2.65 3.57 -0.74 -2.88 116.94 120.72 1iat h PHE 228 Ca 0.21 -0.01 -0.04 0.00 3.53 0.00 0.00 57.97 61.66 1iat h PHE 228 Cb 0.03 -0.12 -0.01 0.00 2.79 0.00 0.00 35.95 38.64 1iat h PHE 228 CO -0.01 0.30 -0.20 -0.07 -2.23 0.00 0.00 178.31 176.09 1iat h LEU 229 N 0.34 0.00 -1.64 0.59 3.38 -0.49 0.20 115.31 117.69 1iat h LEU 229 Ca 0.10 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.04 1iat h LEU 229 Cb 0.05 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.79 1iat h LEU 229 CO -0.02 0.20 -0.06 1.56 0.09 0.00 0.00 178.44 180.22 1iat h GLN 230 N 0.00 0.15 0.03 1.13 4.20 -0.99 0.12 115.11 119.75 1iat h GLN 230 Ca -0.00 -0.02 -0.28 0.00 0.06 0.00 0.00 58.65 58.41 1iat h GLN 230 Cb 0.61 -0.03 -0.03 0.00 0.30 0.00 0.00 27.48 28.33 1iat h GLN 230 CO 0.03 0.23 -1.52 0.00 -0.67 0.00 0.00 178.83 176.89 1iat n ALA 231 N -2.50 0.83 0.08 3.87 0.00 -0.79 -4.58 120.51 117.42 1iat n ALA 231 Ca -0.01 -0.55 -0.11 0.00 0.00 0.00 0.00 53.44 52.77 1iat n ALA 231 Cb 0.19 -0.55 -0.13 0.00 0.00 0.00 0.00 19.45 18.95 1iat n ALA 231 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1iat h ALA 232 N -0.38 0.25 -4.23 0.00 0.00 -0.93 -3.47 119.26 110.50 1iat h ALA 232 Ca -0.39 -0.92 -0.31 0.00 0.00 0.00 0.00 54.91 53.29 1iat h ALA 232 Cb 1.51 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 19.22 1iat h ALA 232 CO -0.15 1.14 -0.42 1.63 0.00 0.00 0.00 179.25 181.45 1iat n LYS 233 N -3.42 -2.76 -3.32 0.00 5.02 0.41 -4.92 118.16 109.17 1iat n LYS 233 Ca -0.05 0.63 -0.05 0.00 -2.02 0.00 0.00 58.31 56.82 1iat n LYS 233 Cb 0.98 -5.29 -0.06 0.00 -0.02 0.00 0.00 35.03 30.64 1iat n LYS 233 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 1iat s ASP 234 N -2.27 -0.26 0.58 4.39 2.15 -1.26 -5.02 116.67 114.98 1iat s ASP 234 Ca 0.13 0.48 0.29 0.00 0.43 0.00 0.00 52.55 53.88 1iat s ASP 234 Cb -0.07 1.44 1.49 0.00 -0.30 0.00 0.00 42.92 45.49 1iat s ASP 234 CO 0.16 -0.28 1.92 -0.65 -0.17 0.00 0.00 175.17 176.15 1iat h PRO 235 N 8.13 0.00 0.00 4.34 0.11 -1.97 0.84 132.00 143.45 1iat h PRO 235 Ca -0.20 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.89 1iat h PRO 235 Cb 1.15 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.26 1iat h PRO 235 CO 0.26 0.00 -0.10 0.77 -0.21 0.00 0.00 178.00 178.72 1iat h SER 236 N 0.00 0.00 0.86 -2.05 0.02 -1.98 -2.44 113.55 107.95 1iat h SER 236 Ca 0.21 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.16 1iat h SER 236 Cb 1.12 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.66 1iat h SER 236 CO -0.00 0.10 0.00 0.00 -1.14 0.00 0.00 176.83 175.79 1iat h ALA 237 N 1.90 1.00 -0.51 3.77 0.00 -1.21 -3.09 119.26 121.12 1iat h ALA 237 Ca -0.00 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 1iat h ALA 237 Cb 0.50 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.27 1iat h ALA 237 CO 0.01 0.00 0.29 0.28 0.00 0.00 0.00 179.25 179.83 1iat h VAL 238 N 0.00 1.15 0.00 0.00 2.07 -1.56 -1.81 116.25 116.10 1iat h VAL 238 Ca 0.00 -0.36 0.00 0.00 0.82 0.00 0.00 66.70 67.16 1iat h VAL 238 Cb 0.43 0.45 0.00 0.00 -1.52 0.00 0.00 31.29 30.65 1iat h VAL 238 CO 0.00 0.16 0.00 0.00 0.02 0.00 0.00 177.57 177.75 1iat h ALA 239 N 1.62 1.00 -0.00 1.67 0.00 -1.74 0.00 119.26 121.81 1iat h ALA 239 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.09 1iat h ALA 239 Cb -0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1iat h ALA 239 CO -0.03 0.00 -0.64 1.63 0.00 0.00 0.00 179.25 180.21 1iat n LYS 240 N -2.60 0.07 0.00 0.00 5.02 -0.68 -4.56 118.16 115.41 1iat n LYS 240 Ca -0.01 -0.05 0.00 0.00 -2.02 0.00 0.00 58.31 56.24 1iat n LYS 240 Cb 0.12 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.64 1iat n LYS 240 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 1iat n HIS 241 N -1.43 0.00 -4.02 2.13 8.25 -0.18 -4.78 115.22 115.19 1iat n HIS 241 Ca 0.05 0.00 -0.20 0.00 -0.26 0.00 0.00 57.72 57.31 1iat n HIS 241 Cb 0.34 0.00 -0.17 0.00 1.12 0.00 0.00 29.99 31.28 1iat n HIS 241 CO 0.00 0.00 0.00 -0.06 0.64 0.00 0.00 176.34 176.92 1iat s PHE 242 N -0.07 0.68 0.28 4.41 0.08 -0.23 -0.09 117.98 123.03 1iat s PHE 242 Ca 0.00 -0.18 0.06 0.00 0.12 0.00 0.00 56.93 56.93 1iat s PHE 242 Cb 0.00 -0.68 -0.06 0.00 -0.57 0.00 0.00 43.02 41.72 1iat s PHE 242 CO 0.00 -0.23 -0.05 0.14 -0.10 0.00 0.00 175.22 174.99 1iat s VAL 243 N 1.23 1.56 0.02 -0.44 -7.23 -0.39 -4.73 120.40 110.42 1iat s VAL 243 Ca -0.06 -2.11 0.06 0.00 -1.81 0.00 0.00 61.98 58.06 1iat s VAL 243 Cb -0.14 -2.45 -0.02 0.00 0.56 0.00 0.00 36.38 34.33 1iat s VAL 243 CO -0.02 -0.29 -0.19 0.00 -0.31 0.00 0.00 175.10 174.29 1iat s ALA 244 N -3.07 1.58 -0.26 1.32 0.00 -0.50 -0.55 121.76 120.29 1iat s ALA 244 Ca 0.30 -0.92 0.02 0.00 0.00 0.00 0.00 51.96 51.36 1iat s ALA 244 Cb 0.04 -0.34 0.05 0.00 0.00 0.00 0.00 23.12 22.88 1iat s ALA 244 CO 0.12 0.36 -0.10 -0.51 0.00 0.00 0.00 175.76 175.62 1iat s LEU 245 N -0.88 3.39 0.26 0.00 1.43 -0.32 -0.56 118.68 121.99 1iat s LEU 245 Ca 0.06 -1.30 -0.21 0.00 -1.03 0.00 0.00 54.13 51.65 1iat s LEU 245 Cb -0.08 -1.57 0.05 0.00 0.03 0.00 0.00 46.19 44.62 1iat s LEU 245 CO 0.01 -0.18 0.84 -0.55 0.23 0.00 0.00 176.35 176.70 1iat s SER 246 N 1.14 -0.13 -0.00 2.29 0.15 -1.01 -1.65 113.70 114.49 1iat s SER 246 Ca -0.07 -0.71 0.17 0.00 0.70 0.00 0.00 55.95 56.04 1iat s SER 246 Cb -0.19 0.67 -0.19 0.00 -1.71 0.00 0.00 66.02 64.60 1iat s SER 246 CO -0.05 -1.27 0.67 0.35 1.20 0.00 0.00 173.24 174.13 1iat n THR 247 N -0.51 0.00 -3.49 6.45 -2.24 -0.62 -1.66 114.28 112.21 1iat n THR 247 Ca -0.06 -0.14 -0.43 0.00 -2.27 0.00 0.00 64.05 61.16 1iat n THR 247 Cb 0.60 0.91 -0.05 0.00 -2.10 0.00 0.00 70.33 69.69 1iat n THR 247 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 1iat s ASN 248 N -2.71 6.16 0.21 3.42 3.84 -1.25 -4.91 114.94 119.69 1iat s ASN 248 Ca 0.05 -2.78 -0.11 0.00 0.21 0.00 0.00 52.86 50.23 1iat s ASN 248 Cb 0.12 -2.07 0.27 0.00 -0.55 0.00 0.00 41.25 39.03 1iat s ASN 248 CO 0.68 -0.48 1.70 0.74 -2.79 0.00 0.00 177.10 176.95 1iat h THR 249 N 4.95 0.63 -0.16 -5.21 2.02 -1.96 -2.27 112.91 110.92 1iat h THR 249 Ca 0.06 -0.08 0.03 0.00 0.77 0.00 0.00 66.41 67.19 1iat h THR 249 Cb 1.00 0.38 -0.02 0.00 -1.74 0.00 0.00 68.15 67.77 1iat h THR 249 CO 0.74 0.04 0.00 0.74 0.37 0.00 0.00 175.52 177.41 1iat h THR 250 N 0.23 0.89 0.00 3.16 2.02 -2.00 -1.98 112.91 115.24 1iat h THR 250 Ca 0.30 -0.02 -0.09 0.00 0.77 0.00 0.00 66.41 67.37 1iat h THR 250 Cb 0.45 0.83 -0.01 0.00 -1.74 0.00 0.00 68.15 67.68 1iat h THR 250 CO -0.41 0.01 -0.43 0.11 0.37 0.00 0.00 175.52 175.18 1iat h LYS 251 N 0.06 0.00 -0.55 6.66 6.56 -1.86 -1.51 116.57 125.93 1iat h LYS 251 Ca 0.07 0.00 -0.08 0.00 -1.06 0.00 0.00 60.65 59.58 1iat h LYS 251 Cb 0.09 0.00 -0.02 0.00 -0.57 0.00 0.00 32.23 31.73 1iat h LYS 251 CO -0.12 0.43 0.03 0.28 -2.06 0.00 0.00 179.45 178.01 1iat h VAL 252 N 0.00 1.26 -0.27 0.50 2.07 -1.12 -2.04 116.25 116.66 1iat h VAL 252 Ca -0.00 -1.07 -0.04 0.00 0.82 0.00 0.00 66.70 66.41 1iat h VAL 252 Cb 0.80 0.86 -0.01 0.00 -1.52 0.00 0.00 31.29 31.42 1iat h VAL 252 CO 0.06 0.38 0.01 0.11 0.02 0.00 0.00 177.57 178.15 1iat h LYS 253 N 0.84 0.47 -0.06 1.57 1.57 -0.89 -2.34 116.57 117.74 1iat h LYS 253 Ca 0.16 -0.15 0.02 0.00 -1.87 0.00 0.00 60.65 58.81 1iat h LYS 253 Cb 0.49 -0.05 -0.00 0.00 0.08 0.00 0.00 32.23 32.76 1iat h LYS 253 CO 0.02 0.63 0.06 0.93 -0.57 0.00 0.00 179.45 180.51 1iat h GLU 254 N 0.26 0.00 0.00 3.15 5.08 -1.18 -0.25 114.58 121.64 1iat h GLU 254 Ca 0.08 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.44 1iat h GLU 254 Cb 0.41 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.66 1iat h GLU 254 CO 0.01 0.00 0.00 0.35 -1.00 0.00 0.00 179.01 178.37 1iat h PHE 255 N 0.00 0.00 0.00 4.33 3.04 -0.82 -3.46 116.94 120.02 1iat h PHE 255 Ca 0.03 0.00 0.00 0.00 3.98 0.00 0.00 57.97 61.98 1iat h PHE 255 Cb 0.14 0.00 0.00 0.00 2.56 0.00 0.00 35.95 38.65 1iat h PHE 255 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 178.31 176.70 1iat n GLY 256 N 0.69 1.18 3.71 2.40 0.00 -0.10 -5.09 105.19 107.97 1iat n GLY 256 Ca 0.03 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.68 1iat n GLY 256 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1iat s ILE 257 N -2.00 5.23 -0.03 -0.61 1.01 -1.08 -4.86 121.20 118.86 1iat s ILE 257 Ca 0.00 0.74 -0.38 0.00 0.00 0.00 0.00 60.65 61.01 1iat s ILE 257 Cb 0.00 -3.73 -0.17 0.00 0.01 0.00 0.00 42.46 38.57 1iat s ILE 257 CO 0.00 0.33 1.44 -0.67 0.00 0.00 0.00 174.94 176.04 1iat n ASP 258 N 3.85 1.72 0.08 3.58 -0.08 -1.26 -4.38 116.55 120.06 1iat n ASP 258 Ca -0.09 1.11 0.14 0.00 -1.51 0.00 0.00 54.79 54.44 1iat n ASP 258 Cb 0.52 -1.15 0.63 0.00 2.34 0.00 0.00 41.12 43.46 1iat n ASP 258 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 1iat h PRO 259 N 5.18 0.09 0.00 -0.67 0.13 -1.95 0.41 132.00 135.18 1iat h PRO 259 Ca -0.48 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 1iat h PRO 259 Cb 1.34 -0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.45 1iat h PRO 259 CO 0.82 0.06 0.00 1.04 -0.23 0.00 0.00 178.00 179.69 1iat n GLN 260 N -4.45 0.24 -0.58 0.86 6.02 -1.26 -2.66 117.38 115.54 1iat n GLN 260 Ca 0.05 0.09 0.09 0.00 -0.01 0.00 0.00 57.00 57.22 1iat n GLN 260 Cb 0.37 -1.50 0.33 0.00 1.02 0.00 0.00 30.24 30.46 1iat n GLN 260 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 1iat n ASN 261 N -1.34 4.59 -4.65 1.08 4.13 0.14 -4.91 115.26 114.31 1iat n ASN 261 Ca 0.09 -2.51 -0.36 0.00 1.68 0.00 0.00 54.58 53.48 1iat n ASN 261 Cb 0.20 -0.55 -0.09 0.00 -1.54 0.00 0.00 39.78 37.79 1iat n ASN 261 CO 0.00 0.00 0.00 -0.32 0.28 0.00 0.00 177.26 177.22 1iat s MET 262 N -1.96 4.04 -0.34 3.52 1.75 -1.09 -1.41 119.30 123.82 1iat s MET 262 Ca 0.48 -0.30 -0.07 0.00 -1.25 0.00 0.00 55.69 54.56 1iat s MET 262 Cb 0.32 -3.40 0.04 0.00 2.84 0.00 0.00 34.83 34.63 1iat s MET 262 CO 0.21 0.16 0.10 -0.06 -0.65 0.00 0.00 175.02 174.79 1iat s PHE 263 N 0.73 3.24 0.31 4.11 0.40 0.27 -4.98 117.98 122.07 1iat s PHE 263 Ca 0.06 -1.37 -0.21 0.00 -0.60 0.00 0.00 56.93 54.81 1iat s PHE 263 Cb -0.13 -2.28 -0.09 0.00 0.51 0.00 0.00 43.02 41.03 1iat s PHE 263 CO 0.02 -0.71 0.84 -2.00 0.70 0.00 0.00 175.22 174.06 1iat s GLU 264 N 1.41 4.32 0.00 0.44 2.12 -1.26 -2.39 118.70 123.34 1iat s GLU 264 Ca -0.01 1.04 0.00 0.00 0.36 0.00 0.00 54.97 56.35 1iat s GLU 264 Cb -0.19 -2.66 0.00 0.00 0.26 0.00 0.00 34.13 31.54 1iat s GLU 264 CO 0.03 0.24 0.00 1.97 -0.54 0.00 0.00 175.26 176.96 1iat n PHE 265 N 0.26 0.00 -4.27 5.30 1.16 -0.66 -4.50 117.46 114.75 1iat n PHE 265 Ca 0.02 0.00 -0.15 0.00 -1.87 0.00 0.00 57.45 55.45 1iat n PHE 265 Cb 0.52 0.00 -0.10 0.00 -1.61 0.00 0.00 39.48 38.28 1iat n PHE 265 CO 0.00 0.00 0.00 -1.58 -1.87 0.00 0.00 176.76 173.31 1iat s TRP 266 N -1.59 1.33 0.55 2.97 0.51 -1.26 -4.31 118.94 117.14 1iat s TRP 266 Ca 0.00 -0.92 0.32 0.00 -2.12 0.00 0.00 56.10 53.38 1iat s TRP 266 Cb 0.00 -0.75 1.83 0.00 -0.81 0.00 0.00 33.47 33.75 1iat s TRP 266 CO 0.00 -0.08 2.23 0.38 -0.51 0.00 0.00 176.95 178.96 1iat h ASP 267 N 2.65 0.00 -0.18 2.95 2.03 -1.97 -1.43 116.42 120.47 1iat h ASP 267 Ca -0.37 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 55.93 1iat h ASP 267 Cb 1.21 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.71 1iat h ASP 267 CO 0.64 0.03 0.00 -2.67 -1.03 0.00 0.00 179.24 176.21 1iat n TRP 268 N -3.63 0.24 -3.49 4.15 4.27 -1.26 -4.55 117.44 113.18 1iat n TRP 268 Ca -0.03 -0.12 -0.43 0.00 -3.89 0.00 0.00 57.50 53.04 1iat n TRP 268 Cb 0.13 0.00 -0.09 0.00 -1.36 0.00 0.00 31.31 29.99 1iat n TRP 268 CO 0.00 0.00 0.00 0.08 -2.29 0.00 0.00 177.69 175.48 1iat s VAL 269 N -1.76 4.86 0.43 -1.67 1.01 -0.54 -1.16 120.40 121.57 1iat s VAL 269 Ca 0.20 -1.10 -0.24 0.00 0.00 0.00 0.00 61.98 60.84 1iat s VAL 269 Cb 0.10 -3.88 -0.08 0.00 0.00 0.00 0.00 36.38 32.53 1iat s VAL 269 CO 0.15 -0.49 1.15 -0.83 0.00 0.00 0.00 175.10 175.09 1iat s GLY 270 N 2.23 2.81 0.24 4.51 0.00 -1.26 -4.87 107.32 110.98 1iat s GLY 270 Ca 0.04 0.92 -0.05 0.00 0.00 0.00 0.00 44.72 45.63 1iat s GLY 270 CO 0.06 1.40 1.84 -1.33 0.00 0.00 0.00 173.10 175.06 1iat h GLY 271 N 2.32 1.31 0.59 0.20 0.00 -1.95 0.51 103.07 106.05 1iat h GLY 271 Ca -0.49 -0.36 0.00 0.00 0.00 0.00 0.00 47.33 46.48 1iat h GLY 271 CO 0.61 0.21 0.00 -0.96 0.00 0.00 0.00 176.54 176.40 1iat n ARG 272 N -4.66 0.72 -0.75 4.80 1.85 -1.26 -1.93 116.66 115.43 1iat n ARG 272 Ca 0.13 0.00 0.05 0.00 -1.00 0.00 0.00 57.85 57.03 1iat n ARG 272 Cb 0.22 -1.29 0.11 0.00 -1.05 0.00 0.00 32.46 30.45 1iat n ARG 272 CO 0.00 0.00 0.00 0.66 -0.01 0.00 0.00 177.63 178.28 1iat n TYR 273 N -0.79 0.00 0.96 2.89 4.02 0.11 -4.74 117.16 119.60 1iat n TYR 273 Ca 0.10 -0.87 0.10 0.00 -0.01 0.00 0.00 57.90 57.22 1iat n TYR 273 Cb 0.05 -0.17 -0.09 0.00 -0.02 0.00 0.00 39.34 39.11 1iat n TYR 273 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 176.86 174.72 1iat n SER 274 N -0.53 1.22 0.28 7.72 3.41 -0.81 -4.47 113.62 120.44 1iat n SER 274 Ca 0.12 -1.11 0.19 0.00 -0.26 0.00 0.00 58.87 57.80 1iat n SER 274 Cb 0.82 0.87 0.98 0.00 -0.26 0.00 0.00 64.21 66.61 1iat n SER 274 CO 0.00 0.00 0.00 0.17 -0.16 0.00 0.00 175.04 175.05 1iat h LEU 275 N 0.61 0.00 0.00 1.04 8.10 -1.84 -0.68 115.31 122.53 1iat h LEU 275 Ca 0.00 0.00 0.00 0.00 0.11 0.00 0.00 57.88 57.99 1iat h LEU 275 Cb 0.54 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.76 1iat h LEU 275 CO 0.00 0.00 -0.03 0.79 -4.11 0.00 0.00 178.44 175.09 1iat n TRP 276 N -2.82 0.39 -1.67 0.17 7.02 -1.26 -2.71 117.44 116.55 1iat n TRP 276 Ca -0.02 0.11 0.00 0.00 -1.02 0.00 0.00 57.50 56.57 1iat n TRP 276 Cb 0.09 -0.67 0.00 0.00 -2.42 0.00 0.00 31.31 28.30 1iat n TRP 276 CO 0.00 0.00 0.00 -1.13 -2.02 0.00 0.00 177.69 174.54 1iat n SER 277 N -1.82 0.00 -0.35 -0.99 3.41 -0.26 -4.78 113.62 108.83 1iat n SER 277 Ca 0.06 -0.15 0.33 0.00 -0.26 0.00 0.00 58.87 58.86 1iat n SER 277 Cb 0.38 0.00 0.69 0.00 -0.26 0.00 0.00 64.21 65.02 1iat n SER 277 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1iat h ALA 278 N -1.07 2.91 -0.34 7.33 0.00 -1.81 0.82 119.26 127.10 1iat h ALA 278 Ca 0.00 -0.01 0.10 0.00 0.00 0.00 0.00 54.91 55.00 1iat h ALA 278 Cb 0.00 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 1iat h ALA 278 CO 0.00 -1.29 0.32 0.82 0.00 0.00 0.00 179.25 179.10 1iat h ILE 279 N 0.10 0.51 0.00 0.00 1.08 -1.85 -0.05 117.51 117.30 1iat h ILE 279 Ca 0.60 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 65.07 1iat h ILE 279 Cb 2.16 0.75 0.00 0.00 -3.07 0.00 0.00 36.82 36.66 1iat h ILE 279 CO -0.10 0.00 0.00 0.61 -0.69 0.00 0.00 178.15 177.97 1iat n GLY 280 N -1.49 -0.79 0.32 5.37 0.00 0.28 -4.24 105.19 104.65 1iat n GLY 280 Ca 0.05 -0.05 0.04 0.00 0.00 0.00 0.00 46.02 46.06 1iat n GLY 280 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1iat h LEU 281 N 0.00 0.74 -1.71 0.99 5.85 -1.18 0.40 115.31 120.41 1iat h LEU 281 Ca 0.00 0.05 -0.04 0.00 0.84 0.00 0.00 57.88 58.73 1iat h LEU 281 Cb 0.00 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 40.93 1iat h LEU 281 CO 0.00 0.42 -0.18 0.77 -0.34 0.00 0.00 178.44 179.11 1iat h SER 282 N 0.85 0.00 -0.01 1.25 4.64 -1.85 -0.16 113.55 118.27 1iat h SER 282 Ca 0.42 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.74 1iat h SER 282 Cb 0.39 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.48 1iat h SER 282 CO -0.25 0.18 0.00 0.40 -0.87 0.00 0.00 176.83 176.29 1iat h ILE 283 N 0.00 1.21 -0.50 0.95 2.04 -1.24 -2.04 117.51 117.92 1iat h ILE 283 Ca -0.00 -0.63 -0.06 0.00 1.00 0.00 0.00 64.86 65.17 1iat h ILE 283 Cb 0.36 1.62 -0.02 0.00 -0.74 0.00 0.00 36.82 38.03 1iat h ILE 283 CO 0.02 0.16 0.07 0.00 0.00 0.00 0.00 178.15 178.40 1iat h ALA 284 N 0.74 1.18 -0.44 1.87 0.00 -0.77 -0.01 119.26 121.82 1iat h ALA 284 Ca 0.00 -0.23 -0.07 0.00 0.00 0.00 0.00 54.91 54.61 1iat h ALA 284 Cb 0.27 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 1iat h ALA 284 CO 0.00 0.55 -0.02 -0.07 0.00 0.00 0.00 179.25 179.71 1iat h LEU 285 N 0.76 0.70 0.09 0.00 3.38 -1.01 0.22 115.31 119.45 1iat h LEU 285 Ca 0.16 -0.17 -0.23 0.00 0.09 0.00 0.00 57.88 57.73 1iat h LEU 285 Cb 0.36 -0.18 0.02 0.00 0.09 0.00 0.00 40.66 40.95 1iat h LEU 285 CO 0.01 0.78 -0.96 -0.74 0.09 0.00 0.00 178.44 177.61 1iat h HIS 286 N 0.68 0.79 -0.01 1.13 2.76 -0.56 -3.38 115.15 116.55 1iat h HIS 286 Ca 0.13 -0.50 0.00 0.00 -2.20 0.00 0.00 60.37 57.81 1iat h HIS 286 Cb 0.45 -0.06 0.00 0.00 1.55 0.00 0.00 27.41 29.34 1iat h HIS 286 CO 0.02 1.35 -0.15 1.33 -1.30 0.00 0.00 177.93 179.17 1iat n VAL 287 N -4.00 0.00 0.00 5.26 0.24 -0.11 -4.18 118.33 115.55 1iat n VAL 287 Ca -0.13 -0.42 0.00 0.00 -2.04 0.00 0.00 64.34 61.75 1iat n VAL 287 Cb 0.86 1.17 0.00 0.00 -1.47 0.00 0.00 33.84 34.40 1iat n VAL 287 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1iat n GLY 288 N 0.85 0.30 0.19 7.63 0.00 0.78 -4.39 105.19 110.54 1iat n GLY 288 Ca 0.05 -1.66 -0.02 0.00 0.00 0.00 0.00 46.02 44.39 1iat n GLY 288 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1iat h PHE 289 N 0.00 0.24 -0.30 1.61 3.57 -1.94 -2.20 116.94 117.92 1iat h PHE 289 Ca 0.00 -0.07 -0.01 0.00 3.53 0.00 0.00 57.97 61.42 1iat h PHE 289 Cb 0.00 -0.05 -0.01 0.00 2.79 0.00 0.00 35.95 38.67 1iat h PHE 289 CO 0.00 0.62 0.16 -0.44 -2.23 0.00 0.00 178.31 176.41 1iat h ASP 290 N 0.17 0.38 -0.48 0.41 3.45 -1.95 0.18 116.42 118.58 1iat h ASP 290 Ca 0.01 -0.10 -0.05 0.00 0.43 0.00 0.00 57.03 57.33 1iat h ASP 290 Cb 0.86 -0.10 -0.02 0.00 -0.56 0.00 0.00 39.33 39.51 1iat h ASP 290 CO 0.07 0.36 0.14 0.78 -1.57 0.00 0.00 179.24 179.02 1iat h ASN 291 N 0.36 0.76 -0.50 6.45 -0.26 -1.73 0.40 115.58 121.06 1iat h ASN 291 Ca 0.10 -0.13 -0.10 0.00 -0.56 0.00 0.00 56.30 55.61 1iat h ASN 291 Cb 0.08 -0.20 -0.02 0.00 -1.06 0.00 0.00 38.32 37.12 1iat h ASN 291 CO -0.02 0.74 -0.08 0.15 -1.06 0.00 0.00 177.43 177.16 1iat h PHE 292 N 0.79 1.05 -0.37 1.19 3.57 -0.85 -1.12 116.94 121.20 1iat h PHE 292 Ca 0.18 -0.21 -0.06 0.00 3.53 0.00 0.00 57.97 61.41 1iat h PHE 292 Cb 0.28 -0.26 -0.02 0.00 2.79 0.00 0.00 35.95 38.74 1iat h PHE 292 CO 0.02 0.99 -0.01 0.93 -2.23 0.00 0.00 178.31 178.01 1iat h GLU 293 N 0.80 0.58 -0.59 1.11 5.08 -0.22 -1.13 114.58 120.20 1iat h GLU 293 Ca 0.13 -0.13 -0.07 0.00 -1.00 0.00 0.00 59.36 58.29 1iat h GLU 293 Cb 0.63 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.78 1iat h GLU 293 CO 0.04 0.61 0.09 1.96 -1.00 0.00 0.00 179.01 180.71 1iat h GLN 294 N 0.55 0.95 -0.21 2.33 4.20 -0.44 0.42 115.11 122.92 1iat h GLN 294 Ca 0.12 -0.24 -0.00 0.00 0.06 0.00 0.00 58.65 58.59 1iat h GLN 294 Cb 0.36 -0.12 -0.01 0.00 0.30 0.00 0.00 27.48 28.01 1iat h GLN 294 CO 0.01 0.89 0.13 1.25 -0.67 0.00 0.00 178.83 180.44 1iat h LEU 295 N 0.90 0.24 -0.98 1.46 5.85 -0.69 -0.28 115.31 121.82 1iat h LEU 295 Ca 0.18 -0.04 -0.02 0.00 0.84 0.00 0.00 57.88 58.84 1iat h LEU 295 Cb 0.40 -0.06 -0.04 0.00 0.37 0.00 0.00 40.66 41.33 1iat h LEU 295 CO 0.01 0.21 0.40 -0.07 -0.34 0.00 0.00 178.44 178.64 1iat h LEU 296 N 0.26 1.01 -0.80 2.25 3.38 -1.00 -2.56 115.31 117.85 1iat h LEU 296 Ca 0.07 -0.11 -0.09 0.00 0.09 0.00 0.00 57.88 57.84 1iat h LEU 296 Cb 0.00 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.48 1iat h LEU 296 CO -0.01 0.84 -0.11 0.28 0.09 0.00 0.00 178.44 179.53 1iat h SER 297 N 1.12 0.78 -0.57 -0.43 0.02 -0.34 0.16 113.55 114.29 1iat h SER 297 Ca 0.28 -0.23 -0.01 0.00 -0.84 0.00 0.00 61.79 60.98 1iat h SER 297 Cb 0.08 -0.21 -0.03 0.00 0.14 0.00 0.00 62.40 62.39 1iat h SER 297 CO -0.04 0.91 0.32 1.23 -1.14 0.00 0.00 176.83 178.11 1iat h GLY 298 N 0.97 0.85 0.98 -3.77 0.00 -0.79 -0.34 103.07 100.96 1iat h GLY 298 Ca 0.12 -0.38 0.01 0.00 0.00 0.00 0.00 47.33 47.08 1iat h GLY 298 CO 0.04 0.37 0.42 0.00 0.00 0.00 0.00 176.54 177.36 1iat h ALA 299 N 1.14 0.82 -0.89 3.60 0.00 -1.14 -2.16 119.26 120.63 1iat h ALA 299 Ca 0.20 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.07 1iat h ALA 299 Cb 0.04 -0.25 -0.04 0.00 0.00 0.00 0.00 17.79 17.54 1iat h ALA 299 CO -0.03 0.22 0.56 1.25 0.00 0.00 0.00 179.25 181.25 1iat h HIS 300 N 0.85 1.15 -0.26 0.00 6.17 -0.50 0.58 115.15 123.14 1iat h HIS 300 Ca 0.24 0.01 0.02 0.00 0.71 0.00 0.00 60.37 61.35 1iat h HIS 300 Cb -0.08 -0.38 -0.03 0.00 2.52 0.00 0.00 27.41 29.44 1iat h HIS 300 CO -0.03 0.75 0.10 2.35 0.71 0.00 0.00 177.93 181.81 1iat h TRP 301 N 1.22 0.18 -0.17 5.26 7.01 -0.77 -1.62 115.95 127.06 1iat h TRP 301 Ca 0.32 0.01 -0.09 0.00 2.11 0.00 0.00 58.89 61.24 1iat h TRP 301 Cb -0.09 -0.04 -0.01 0.00 -2.10 0.00 0.00 29.16 26.91 1iat h TRP 301 CO 0.00 0.09 -0.31 1.98 -2.79 0.00 0.00 178.44 177.42 1iat h MET 302 N 0.23 0.33 -0.78 2.65 4.05 -0.75 -0.57 114.93 120.08 1iat h MET 302 Ca 0.11 -0.13 -0.02 0.00 -0.28 0.00 0.00 59.70 59.38 1iat h MET 302 Cb 0.07 -0.02 -0.04 0.00 -0.80 0.00 0.00 31.60 30.82 1iat h MET 302 CO -0.11 0.61 0.40 -0.44 0.23 0.00 0.00 176.91 177.59 1iat h ASP 303 N 0.29 1.00 -0.12 1.39 3.32 -0.57 0.89 116.42 122.61 1iat h ASP 303 Ca 0.04 -0.12 -0.14 0.00 0.02 0.00 0.00 57.03 56.83 1iat h ASP 303 Cb 0.69 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 39.98 1iat h ASP 303 CO 0.05 0.83 -0.42 1.56 -1.72 0.00 0.00 179.24 179.54 1iat h GLN 304 N 1.09 0.66 -0.12 3.56 4.20 -0.52 -0.33 115.11 123.65 1iat h GLN 304 Ca 0.27 -0.35 0.01 0.00 0.06 0.00 0.00 58.65 58.64 1iat h GLN 304 Cb 0.08 0.01 -0.01 0.00 0.30 0.00 0.00 27.48 27.87 1iat h GLN 304 CO -0.04 0.96 0.05 1.25 -0.67 0.00 0.00 178.83 180.38 1iat h HIS 305 N 0.54 0.10 -0.64 2.96 2.76 -0.71 -1.81 115.15 118.34 1iat h HIS 305 Ca 0.04 0.01 -0.06 0.00 -2.20 0.00 0.00 60.37 58.15 1iat h HIS 305 Cb 0.95 -0.03 -0.03 0.00 1.55 0.00 0.00 27.41 29.86 1iat h HIS 305 CO 0.04 0.06 0.14 0.35 -1.30 0.00 0.00 177.93 177.23 1iat h PHE 306 N 0.12 1.07 -0.00 5.26 3.57 -0.65 -1.97 116.94 124.34 1iat h PHE 306 Ca 0.05 -0.12 -0.15 0.00 3.53 0.00 0.00 57.97 61.28 1iat h PHE 306 Cb 0.01 -0.30 -0.02 0.00 2.79 0.00 0.00 35.95 38.43 1iat h PHE 306 CO -0.09 0.88 -0.70 -0.09 -2.23 0.00 0.00 178.31 176.08 1iat h ARG 307 N 0.97 0.01 -0.00 1.11 2.43 -0.91 -3.37 114.38 114.62 1iat h ARG 307 Ca 0.20 -0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.37 1iat h ARG 307 Cb 0.36 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.91 1iat h ARG 307 CO 0.00 0.70 -0.08 0.25 -1.51 0.00 0.00 179.97 179.33 1iat n THR 308 N -3.71 0.00 -3.14 0.20 -2.24 -0.70 -5.01 114.28 99.68 1iat n THR 308 Ca -0.01 -0.46 -0.39 0.00 -2.27 0.00 0.00 64.05 60.92 1iat n THR 308 Cb 0.68 1.04 -0.05 0.00 -2.10 0.00 0.00 70.33 69.90 1iat n THR 308 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 1iat s THR 309 N -0.83 4.96 0.39 4.28 2.01 -0.75 -5.02 115.64 120.68 1iat s THR 309 Ca 0.03 1.32 -0.25 0.00 0.31 0.00 0.00 61.69 63.10 1iat s THR 309 Cb 0.03 -3.97 -0.11 0.00 0.01 0.00 0.00 72.50 68.45 1iat s THR 309 CO 0.10 0.35 0.98 -2.65 -0.69 0.00 0.00 174.62 172.70 1iat n PRO 310 N 3.15 1.30 -0.35 4.92 -0.02 -1.26 -4.69 135.00 138.04 1iat n PRO 310 Ca -0.05 0.46 0.11 0.00 -2.02 0.00 0.00 63.50 62.01 1iat n PRO 310 Cb 0.51 -1.96 0.30 0.00 -0.02 0.00 0.00 33.50 32.33 1iat n PRO 310 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 1iat h LEU 311 N 1.57 0.82 -0.35 2.45 3.38 -1.95 -1.27 115.31 119.96 1iat h LEU 311 Ca -0.43 0.08 0.00 0.00 0.09 0.00 0.00 57.88 57.61 1iat h LEU 311 Cb 1.34 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 42.01 1iat h LEU 311 CO 0.57 0.35 0.00 -1.84 0.09 0.00 0.00 178.44 177.61 1iat n GLU 312 N -4.70 0.07 -0.59 1.13 0.00 -1.26 -2.11 120.64 113.18 1iat n GLU 312 Ca 0.22 0.38 0.05 0.00 0.00 0.00 0.00 57.16 57.80 1iat n GLU 312 Cb 0.50 -1.66 0.09 0.00 0.00 0.00 0.00 31.44 30.37 1iat n GLU 312 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.13 178.76 1iat n LYS 313 N -1.80 0.70 -3.55 3.44 5.02 -0.50 -5.02 118.16 116.45 1iat n LYS 313 Ca 0.02 -2.13 -0.41 0.00 -2.02 0.00 0.00 58.31 53.77 1iat n LYS 313 Cb 0.15 -0.92 -0.11 0.00 -0.02 0.00 0.00 35.03 34.13 1iat n LYS 313 CO 0.00 0.00 0.00 1.21 -0.52 0.00 0.00 177.40 178.09 1iat s ASN 314 N -2.21 5.89 0.10 4.39 3.84 -0.90 -4.89 114.94 121.16 1iat s ASN 314 Ca 0.24 -0.77 -0.26 0.00 0.21 0.00 0.00 52.86 52.27 1iat s ASN 314 Cb 0.24 -2.09 -0.12 0.00 -0.55 0.00 0.00 41.25 38.73 1iat s ASN 314 CO -0.04 -0.35 1.67 0.00 -2.79 0.00 0.00 177.10 175.59 1iat h ALA 315 N 8.50 -0.36 -0.70 1.71 0.00 -1.92 -0.76 119.26 125.73 1iat h ALA 315 Ca -0.28 -0.05 0.04 0.00 0.00 0.00 0.00 54.91 54.62 1iat h ALA 315 Cb 1.13 0.27 -0.04 0.00 0.00 0.00 0.00 17.79 19.14 1iat h ALA 315 CO 0.67 -0.73 0.46 -1.35 0.00 0.00 0.00 179.25 178.31 1iat h PRO 316 N -0.39 0.80 -0.40 0.00 0.11 -1.94 -0.89 132.00 129.29 1iat h PRO 316 Ca 0.00 -0.05 -0.03 0.00 0.11 0.00 0.00 66.00 66.03 1iat h PRO 316 Cb 0.37 -0.18 -0.02 0.00 0.11 0.00 0.00 31.00 31.29 1iat h PRO 316 CO -0.05 0.53 0.12 0.28 -0.21 0.00 0.00 178.00 178.67 1iat h VAL 317 N 0.83 1.22 -0.40 3.15 2.07 -1.69 -0.67 116.25 120.76 1iat h VAL 317 Ca 0.28 -0.71 -0.15 0.00 0.82 0.00 0.00 66.70 66.94 1iat h VAL 317 Cb 0.10 0.93 -0.01 0.00 -1.52 0.00 0.00 31.29 30.79 1iat h VAL 317 CO -0.08 0.25 -0.34 -0.07 0.02 0.00 0.00 177.57 177.35 1iat h LEU 318 N 0.50 0.98 -0.80 2.57 3.38 -0.65 0.62 115.31 121.91 1iat h LEU 318 Ca 0.13 -0.43 -0.00 0.00 0.09 0.00 0.00 57.88 57.67 1iat h LEU 318 Cb 0.26 -0.27 -0.04 0.00 0.09 0.00 0.00 40.66 40.70 1iat h LEU 318 CO -0.00 1.22 0.48 -0.07 0.09 0.00 0.00 178.44 180.15 1iat h LEU 319 N 0.77 0.96 -0.22 1.67 3.38 -1.12 -0.94 115.31 119.81 1iat h LEU 319 Ca 0.07 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 57.98 1iat h LEU 319 Cb 0.92 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.42 1iat h LEU 319 CO 0.09 0.74 0.15 0.00 0.09 0.00 0.00 178.44 179.51 1iat h ALA 320 N 1.26 0.28 -0.52 1.53 0.00 -0.69 -2.36 119.26 118.76 1iat h ALA 320 Ca 0.29 -0.02 -0.06 0.00 0.00 0.00 0.00 54.91 55.12 1iat h ALA 320 Cb -0.04 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 1iat h ALA 320 CO -0.05 -0.24 0.07 -0.07 0.00 0.00 0.00 179.25 178.96 1iat h LEU 321 N 0.30 0.79 -0.87 0.00 3.38 -0.49 -0.68 115.31 117.74 1iat h LEU 321 Ca 0.08 -0.16 -0.04 0.00 0.09 0.00 0.00 57.88 57.84 1iat h LEU 321 Cb -0.03 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 40.48 1iat h LEU 321 CO -0.02 0.81 0.29 -0.07 0.09 0.00 0.00 178.44 179.54 1iat h LEU 322 N 0.79 1.03 -0.70 1.67 3.38 -1.11 -0.93 115.31 119.46 1iat h LEU 322 Ca 0.17 -0.16 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 1iat h LEU 322 Cb 0.37 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.82 1iat h LEU 322 CO 0.01 0.92 0.35 1.23 0.09 0.00 0.00 178.44 181.03 1iat h GLY 323 N 1.13 1.06 0.94 0.83 0.00 -0.83 -1.73 103.07 104.47 1iat h GLY 323 Ca 0.25 -0.52 0.02 0.00 0.00 0.00 0.00 47.33 47.08 1iat h GLY 323 CO -0.02 0.49 0.49 -2.22 0.00 0.00 0.00 176.54 175.28 1iat h ILE 324 N 0.96 1.15 -0.26 2.60 1.08 -0.48 0.66 117.51 123.23 1iat h ILE 324 Ca 0.24 -0.34 0.01 0.00 -0.39 0.00 0.00 64.86 64.38 1iat h ILE 324 Cb 0.10 0.08 -0.02 0.00 -3.07 0.00 0.00 36.82 33.91 1iat h ILE 324 CO -0.03 0.18 0.16 -0.25 -0.69 0.00 0.00 178.15 177.51 1iat h TRP 325 N 0.99 0.30 -0.04 1.37 -0.00 -0.85 0.27 115.95 117.99 1iat h TRP 325 Ca 0.29 0.01 -0.15 0.00 -0.00 0.00 0.00 58.89 59.04 1iat h TRP 325 Cb -0.05 -0.10 -0.01 0.00 -0.00 0.00 0.00 29.16 29.00 1iat h TRP 325 CO -0.03 0.18 -0.65 1.88 -0.00 0.00 0.00 178.44 179.82 1iat h TYR 326 N 0.32 0.19 0.01 2.65 0.05 -0.96 -1.99 116.97 117.25 1iat h TYR 326 Ca 0.10 -0.08 -0.00 0.00 0.05 0.00 0.00 58.73 58.80 1iat h TYR 326 Cb -0.01 -0.03 0.00 0.00 1.01 0.00 0.00 36.73 37.69 1iat h TYR 326 CO -0.07 0.75 -0.00 0.82 -1.05 0.00 0.00 178.16 178.61 1iat h ILE 327 N 0.11 1.17 0.00 -2.88 2.04 -0.65 -0.22 117.51 117.07 1iat h ILE 327 Ca -0.01 -1.84 0.00 0.00 1.00 0.00 0.00 64.86 64.01 1iat h ILE 327 Cb 1.16 2.19 0.00 0.00 -0.74 0.00 0.00 36.82 39.43 1iat h ILE 327 CO 0.09 0.39 -0.75 0.78 0.00 0.00 0.00 178.15 178.66 1iat h ASN 328 N -0.99 0.00 0.00 1.72 2.35 -0.59 -2.66 115.58 115.41 1iat h ASN 328 Ca -0.00 -0.23 -0.10 0.00 -0.55 0.00 0.00 56.30 55.43 1iat h ASN 328 Cb 0.65 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 39.00 1iat h ASN 328 CO 0.00 0.11 -1.08 0.00 -1.65 0.00 0.00 177.43 174.82 1iat h PHE 330 N -0.64 0.00 -0.36 0.00 0.04 -1.33 -3.48 116.94 111.17 1iat h PHE 330 Ca -0.15 0.00 -0.09 0.00 2.80 0.00 0.00 57.97 60.54 1iat h PHE 330 Cb 0.88 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 39.01 1iat h PHE 330 CO -0.21 0.00 -0.09 0.41 -0.60 0.00 0.00 178.31 177.82 1iat n GLY 331 N 0.89 0.52 3.68 -1.45 0.00 -0.24 -4.97 105.19 103.62 1iat n GLY 331 Ca 0.04 -0.81 -0.42 0.00 0.00 0.00 0.00 46.02 44.82 1iat n GLY 331 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1iat h GLU 333 N 7.88 0.00 -5.64 0.00 5.08 -1.90 -3.41 114.58 116.59 1iat h GLU 333 Ca -0.36 0.00 -0.56 0.00 -1.00 0.00 0.00 59.36 57.44 1iat h GLU 333 Cb 1.17 0.00 -0.14 0.00 0.50 0.00 0.00 28.75 30.28 1iat h GLU 333 CO 0.91 0.34 -0.65 0.95 -1.00 0.00 0.00 179.01 179.56 1iat s THR 334 N -3.38 1.85 -0.09 1.13 -4.23 -1.26 -0.68 115.64 108.99 1iat s THR 334 Ca 0.02 -2.10 -0.03 0.00 -1.18 0.00 0.00 61.69 58.40 1iat s THR 334 Cb 0.09 -2.69 0.04 0.00 1.34 0.00 0.00 72.50 71.28 1iat s THR 334 CO 0.69 -0.15 0.11 -2.28 -0.54 0.00 0.00 174.62 172.44 1iat s HIS 335 N -2.85 -0.01 -0.11 3.99 2.46 -0.08 -4.25 115.29 114.43 1iat s HIS 335 Ca 0.33 0.26 -0.11 0.00 0.47 0.00 0.00 55.06 56.00 1iat s HIS 335 Cb 0.06 -0.44 -0.05 0.00 -0.13 0.00 0.00 32.58 32.01 1iat s HIS 335 CO 0.15 -0.30 0.25 0.00 -2.47 0.00 0.00 174.74 172.38 1iat s ALA 336 N 2.21 3.72 -0.23 1.58 0.00 -0.63 -2.31 121.76 126.11 1iat s ALA 336 Ca 0.04 -0.48 -0.00 0.00 0.00 0.00 0.00 51.96 51.51 1iat s ALA 336 Cb -0.13 -2.23 0.03 0.00 0.00 0.00 0.00 23.12 20.79 1iat s ALA 336 CO -0.06 0.36 -0.11 -1.64 0.00 0.00 0.00 175.76 174.32 1iat s MET 337 N -0.40 2.85 -0.58 0.00 -1.94 -0.07 -0.88 119.30 118.28 1iat s MET 337 Ca 0.17 -0.95 0.04 0.00 -1.71 0.00 0.00 55.69 53.24 1iat s MET 337 Cb -0.13 -2.84 0.16 0.00 2.01 0.00 0.00 34.83 34.03 1iat s MET 337 CO 0.05 -0.35 0.41 -0.51 -0.01 0.00 0.00 175.02 174.62 1iat s LEU 338 N 1.29 3.57 -0.02 -0.03 1.43 -0.00 -3.99 118.68 120.93 1iat s LEU 338 Ca 0.01 -3.43 -0.30 0.00 -1.03 0.00 0.00 54.13 49.38 1iat s LEU 338 Cb -0.16 -1.22 -0.03 0.00 0.03 0.00 0.00 46.19 44.81 1iat s LEU 338 CO -0.07 -0.14 0.99 -2.16 0.23 0.00 0.00 176.35 175.20 1iat s PRO 339 N -0.74 4.53 -1.29 1.29 0.04 -1.26 -2.34 135.00 135.23 1iat s PRO 339 Ca 0.26 1.43 -0.09 0.00 0.04 0.00 0.00 61.00 62.63 1iat s PRO 339 Cb -0.06 -3.47 0.16 0.00 0.04 0.00 0.00 34.50 31.17 1iat s PRO 339 CO -0.14 -0.11 1.93 0.66 0.04 0.00 0.00 177.00 179.37 1iat n TYR 340 N 4.13 2.89 -3.37 0.56 4.02 0.95 -1.09 117.16 125.25 1iat n TYR 340 Ca 0.07 -2.79 0.02 0.00 -0.01 0.00 0.00 57.90 55.19 1iat n TYR 340 Cb 0.50 -1.94 -0.03 0.00 -0.02 0.00 0.00 39.34 37.85 1iat n TYR 340 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 176.86 176.19 1iat s ASP 341 N 0.81 -0.76 0.34 7.72 2.15 -1.24 -4.67 116.67 121.02 1iat s ASP 341 Ca 0.41 0.86 0.10 0.00 0.43 0.00 0.00 52.55 54.35 1iat s ASP 341 Cb 0.10 1.79 0.60 0.00 -0.30 0.00 0.00 42.92 45.12 1iat s ASP 341 CO -0.00 -0.14 1.78 -0.61 -0.17 0.00 0.00 175.17 176.02 1iat h GLN 342 N 7.73 0.12 -0.07 4.34 5.75 -1.86 -1.76 115.11 129.35 1iat h GLN 342 Ca -0.17 -0.05 -0.02 0.00 -0.15 0.00 0.00 58.65 58.27 1iat h GLN 342 Cb 1.13 -0.00 -0.01 0.00 1.07 0.00 0.00 27.48 29.67 1iat h GLN 342 CO 0.08 0.48 -0.04 1.88 -2.65 0.00 0.00 178.83 178.58 1iat h TYR 343 N 0.10 0.10 -0.27 3.99 0.99 -1.90 -1.61 116.97 118.37 1iat h TYR 343 Ca 0.01 -0.00 -0.10 0.00 2.00 0.00 0.00 58.73 60.64 1iat h TYR 343 Cb 0.71 -0.03 -0.06 0.00 1.00 0.00 0.00 36.73 38.35 1iat h TYR 343 CO 0.01 0.15 0.13 1.28 -0.00 0.00 0.00 178.16 179.72 1iat n LEU 344 N -4.43 3.55 0.22 3.88 4.77 -0.66 -2.77 117.00 121.55 1iat n LEU 344 Ca -0.02 -1.83 0.15 0.00 -0.03 0.00 0.00 56.01 54.29 1iat n LEU 344 Cb 0.16 -0.59 0.75 0.00 -2.33 0.00 0.00 43.42 41.40 1iat n LEU 344 CO 0.35 0.56 0.95 1.12 -1.33 0.00 0.00 177.39 179.04 1iat h HIS 345 N 0.73 0.00 -0.30 -1.77 2.07 -1.34 -1.08 115.15 113.46 1iat h HIS 345 Ca 0.12 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.64 1iat h HIS 345 Cb 1.36 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.34 1iat h HIS 345 CO 0.46 0.00 0.00 0.54 -3.07 0.00 0.00 177.93 175.86 1iat n ARG 346 N -2.56 2.90 -0.01 5.12 5.12 -1.26 -4.68 116.66 121.28 1iat n ARG 346 Ca -0.01 -2.36 -0.12 0.00 -1.93 0.00 0.00 57.85 53.43 1iat n ARG 346 Cb 0.11 -1.50 -0.08 0.00 -1.16 0.00 0.00 32.46 29.84 1iat n ARG 346 CO 0.00 0.00 0.00 0.35 -1.93 0.00 0.00 177.63 176.05 1iat h PHE 347 N 1.89 0.09 -0.92 -1.55 3.57 -1.54 -1.52 116.94 116.97 1iat h PHE 347 Ca 0.00 -0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.48 1iat h PHE 347 Cb 1.02 -0.02 -0.04 0.00 2.79 0.00 0.00 35.95 39.69 1iat h PHE 347 CO 0.33 0.36 0.56 0.00 -2.23 0.00 0.00 178.31 177.34 1iat h ALA 348 N 0.72 1.17 -0.45 2.41 0.00 -1.83 -1.96 119.26 119.31 1iat h ALA 348 Ca 0.01 -0.10 -0.05 0.00 0.00 0.00 0.00 54.91 54.78 1iat h ALA 348 Cb 0.33 -0.37 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 1iat h ALA 348 CO 0.00 0.62 0.08 0.00 0.00 0.00 0.00 179.25 179.96 1iat h ALA 349 N 1.31 1.29 -0.44 0.00 0.00 -1.84 0.56 119.26 120.14 1iat h ALA 349 Ca 0.33 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 55.03 1iat h ALA 349 Cb -0.06 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.52 1iat h ALA 349 CO -0.06 0.49 0.23 -0.92 0.00 0.00 0.00 179.25 178.99 1iat h TYR 350 N 0.67 0.62 0.00 0.00 5.03 -0.69 -2.61 116.97 119.99 1iat h TYR 350 Ca 0.15 -0.02 0.00 0.00 2.58 0.00 0.00 58.73 61.44 1iat h TYR 350 Cb 0.30 -0.20 0.00 0.00 1.55 0.00 0.00 36.73 38.38 1iat h TYR 350 CO 0.01 0.48 0.00 1.19 -1.32 0.00 0.00 178.16 178.52 1iat n PHE 351 N -4.68 0.80 -0.12 -3.82 3.01 -0.79 -1.44 117.46 110.42 1iat n PHE 351 Ca 0.01 0.25 -0.08 0.00 1.01 0.00 0.00 57.45 58.64 1iat n PHE 351 Cb 0.09 -0.91 -0.00 0.00 -0.01 0.00 0.00 39.48 38.65 1iat n PHE 351 CO 0.00 0.00 0.00 0.37 1.01 0.00 0.00 176.76 178.14 1iat h GLN 352 N 0.00 0.50 0.09 -1.08 4.15 -0.50 0.16 115.11 118.43 1iat h GLN 352 Ca 0.00 -0.03 -0.00 0.00 0.77 0.00 0.00 58.65 59.38 1iat h GLN 352 Cb 0.61 -0.11 0.00 0.00 0.21 0.00 0.00 27.48 28.18 1iat h GLN 352 CO 0.00 0.34 -0.04 0.37 -1.93 0.00 0.00 178.83 177.56 1iat h GLN 353 N 0.52 -0.12 -0.80 1.69 4.15 -1.43 -0.63 115.11 118.49 1iat h GLN 353 Ca 0.14 0.01 0.12 0.00 0.77 0.00 0.00 58.65 59.69 1iat h GLN 353 Cb -0.06 0.03 -0.08 0.00 0.21 0.00 0.00 27.48 27.58 1iat h GLN 353 CO -0.03 0.27 0.41 0.78 -1.93 0.00 0.00 178.83 178.33 1iat h GLY 354 N -0.54 1.25 0.00 2.39 0.00 -1.11 -1.05 103.07 104.01 1iat h GLY 354 Ca -0.01 -0.25 -0.08 0.00 0.00 0.00 0.00 47.33 46.99 1iat h GLY 354 CO 0.02 0.02 -0.53 -1.80 0.00 0.00 0.00 176.54 174.25 1iat h ASP 355 N 0.64 0.00 0.06 0.19 1.82 -0.79 -3.27 116.42 115.08 1iat h ASP 355 Ca 0.41 -0.44 -0.14 0.00 -0.39 0.00 0.00 57.03 56.47 1iat h ASP 355 Cb 0.51 0.00 -0.01 0.00 0.68 0.00 0.00 39.33 40.51 1iat h ASP 355 CO -0.32 1.02 -0.50 0.24 -1.61 0.00 0.00 179.24 178.08 1iat h MET 356 N -1.00 0.49 0.00 0.28 2.86 -1.08 0.15 114.93 116.62 1iat h MET 356 Ca -0.12 -0.28 -0.06 0.00 -2.06 0.00 0.00 59.70 57.18 1iat h MET 356 Cb 0.82 0.02 -0.01 0.00 0.06 0.00 0.00 31.60 32.49 1iat h MET 356 CO -0.07 0.88 -0.29 1.49 1.06 0.00 0.00 176.91 179.98 1iat h GLU 357 N 0.39 0.00 0.00 1.72 4.81 -1.30 -0.75 114.58 119.45 1iat h GLU 357 Ca 0.02 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.24 1iat h GLU 357 Cb 1.01 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.39 1iat h GLU 357 CO 0.09 0.29 -0.03 0.77 -0.73 0.00 0.00 179.01 179.40 1iat h SER 358 N 0.00 0.02 -0.18 1.04 0.02 -1.46 -3.41 113.55 109.58 1iat h SER 358 Ca -0.00 -0.85 0.00 0.00 -0.84 0.00 0.00 61.79 60.10 1iat h SER 358 Cb 1.02 -0.01 0.00 0.00 0.14 0.00 0.00 62.40 63.56 1iat h SER 358 CO 0.04 0.87 0.00 0.59 -1.14 0.00 0.00 176.83 177.18 1iat n ASN 359 N -4.66 2.40 -4.16 3.07 5.03 -0.02 -4.14 115.26 112.79 1iat n ASN 359 Ca -0.10 -1.75 -0.43 0.00 0.87 0.00 0.00 54.58 53.18 1iat n ASN 359 Cb 0.42 -0.12 0.00 0.00 -1.02 0.00 0.00 39.78 39.07 1iat n ASN 359 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1iat n GLY 360 N 0.47 3.67 3.19 7.41 0.00 -0.29 -1.42 105.19 118.22 1iat n GLY 360 Ca 0.08 -1.68 -0.11 0.00 0.00 0.00 0.00 46.02 44.31 1iat n GLY 360 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1iat s LYS 361 N 2.92 0.91 0.00 1.61 -0.14 -1.26 -4.96 119.74 118.82 1iat s LYS 361 Ca 0.48 -1.39 0.00 0.00 -1.36 0.00 0.00 55.97 53.69 1iat s LYS 361 Cb 0.07 -0.18 0.00 0.00 -1.68 0.00 0.00 37.83 36.04 1iat s LYS 361 CO -0.00 -0.07 0.00 2.48 -0.76 0.00 0.00 175.35 177.00 1iat n TYR 362 N -0.10 0.00 -3.93 3.18 4.11 -1.26 -4.72 117.16 114.44 1iat n TYR 362 Ca -0.10 0.00 -0.35 0.00 -0.00 0.00 0.00 57.90 57.45 1iat n TYR 362 Cb 0.62 0.01 -0.09 0.00 -0.00 0.00 0.00 39.34 39.87 1iat n TYR 362 CO 0.00 0.00 0.00 0.42 -0.00 0.00 0.00 176.86 177.28 1iat s ILE 363 N 0.00 4.94 0.79 -3.48 -1.09 -1.26 -0.61 121.20 120.49 1iat s ILE 363 Ca 0.00 0.02 -0.06 0.00 -2.23 0.00 0.00 60.65 58.38 1iat s ILE 363 Cb 0.00 -3.24 0.14 0.00 -1.58 0.00 0.00 42.46 37.78 1iat s ILE 363 CO 0.00 0.45 1.10 0.42 -1.23 0.00 0.00 174.94 175.68 1iat s THR 364 N 0.40 2.12 0.56 2.92 -4.23 0.36 -4.45 115.64 113.32 1iat s THR 364 Ca 0.04 -0.36 0.25 0.00 -1.18 0.00 0.00 61.69 60.44 1iat s THR 364 Cb -0.12 -2.75 0.33 0.00 1.34 0.00 0.00 72.50 71.30 1iat s THR 364 CO -0.00 0.00 2.17 0.50 -0.54 0.00 0.00 174.62 176.74 1iat h LYS 365 N -0.88 0.00 -0.03 3.99 3.64 -1.39 -0.53 116.57 121.37 1iat h LYS 365 Ca -0.40 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.98 1iat h LYS 365 Cb 1.26 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.08 1iat h LYS 365 CO 0.42 0.00 0.00 -1.13 -2.27 0.00 0.00 179.45 176.47 1iat n SER 366 N -4.10 0.97 0.00 4.20 3.41 -1.26 -4.90 113.62 111.94 1iat n SER 366 Ca -0.01 -1.38 0.00 0.00 -0.26 0.00 0.00 58.87 57.22 1iat n SER 366 Cb 0.19 -0.01 0.00 0.00 -0.26 0.00 0.00 64.21 64.12 1iat n SER 366 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1iat n GLY 367 N 1.09 0.48 3.88 5.00 0.00 -0.21 -5.05 105.19 110.38 1iat n GLY 367 Ca 0.20 -0.36 -0.22 0.00 0.00 0.00 0.00 46.02 45.64 1iat n GLY 367 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1iat s THR 368 N -2.00 4.77 0.25 2.61 -4.23 -1.26 -4.80 115.64 110.98 1iat s THR 368 Ca 0.00 -1.21 -0.25 0.00 -1.18 0.00 0.00 61.69 59.05 1iat s THR 368 Cb 0.00 -3.57 -0.09 0.00 1.34 0.00 0.00 72.50 70.19 1iat s THR 368 CO 0.00 -0.31 0.85 -0.13 -0.54 0.00 0.00 174.62 174.48 1iat s ARG 369 N -3.81 4.53 0.55 3.99 0.52 -1.26 -0.49 118.95 122.99 1iat s ARG 369 Ca 0.33 1.19 -0.20 0.00 -0.52 0.00 0.00 55.73 56.53 1iat s ARG 369 Cb -0.09 -3.00 -0.05 0.00 0.52 0.00 0.00 34.95 32.34 1iat s ARG 369 CO 0.26 0.41 1.21 0.14 0.02 0.00 0.00 175.30 177.35 1iat s VAL 370 N -1.42 2.71 -0.27 3.52 -7.23 0.22 -4.49 120.40 113.44 1iat s VAL 370 Ca 0.43 0.47 0.08 0.00 -1.81 0.00 0.00 61.98 61.16 1iat s VAL 370 Cb -0.20 -3.21 0.45 0.00 0.56 0.00 0.00 36.38 33.97 1iat s VAL 370 CO 0.25 -0.06 1.24 -0.90 -0.31 0.00 0.00 175.10 175.31 1iat n ASP 371 N -1.23 3.59 -3.90 4.85 3.85 -1.26 -5.01 116.55 117.44 1iat n ASP 371 Ca 0.12 -3.82 -0.09 0.00 -0.71 0.00 0.00 54.79 50.29 1iat n ASP 371 Cb 0.49 -0.45 -0.04 0.00 -1.35 0.00 0.00 41.12 39.77 1iat n ASP 371 CO 0.00 0.00 0.00 -1.38 -1.01 0.00 0.00 177.20 174.81 1iat s HIS 372 N -3.44 0.13 0.56 2.11 -3.43 -1.26 -5.04 115.29 104.92 1iat s HIS 372 Ca 0.46 -0.51 -0.18 0.00 -0.80 0.00 0.00 55.06 54.03 1iat s HIS 372 Cb 0.40 0.32 -0.05 0.00 -1.43 0.00 0.00 32.58 31.81 1iat s HIS 372 CO -0.01 -0.99 1.11 -0.65 -2.00 0.00 0.00 174.74 172.20 1iat s GLN 373 N -3.96 3.29 0.00 -0.38 -1.52 -1.26 -5.06 119.66 110.77 1iat s GLN 373 Ca 0.16 1.53 0.00 0.00 -1.95 0.00 0.00 55.36 55.10 1iat s GLN 373 Cb -0.01 -2.00 0.00 0.00 -0.22 0.00 0.00 33.01 30.77 1iat s GLN 373 CO 0.05 -0.88 0.00 0.25 -0.25 0.00 0.00 175.29 174.45 1iat n THR 374 N -1.52 0.00 -1.63 -0.19 -2.24 -1.26 -4.89 114.28 102.55 1iat n THR 374 Ca 0.11 0.00 -0.40 0.00 -2.27 0.00 0.00 64.05 61.49 1iat n THR 374 Cb 0.51 0.00 0.03 0.00 -2.10 0.00 0.00 70.33 68.77 1iat n THR 374 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1iat n GLY 375 N 5.00 -0.15 3.93 3.38 0.00 -0.51 -4.99 105.19 111.85 1iat n GLY 375 Ca 0.00 0.02 -0.26 0.00 0.00 0.00 0.00 46.02 45.79 1iat n GLY 375 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1iat s PRO 376 N -2.37 2.59 -0.24 1.61 0.04 -1.26 -4.80 135.00 130.57 1iat s PRO 376 Ca 0.68 -0.20 -0.29 0.00 0.04 0.00 0.00 61.00 61.23 1iat s PRO 376 Cb -0.48 -2.26 0.01 0.00 0.04 0.00 0.00 34.50 31.80 1iat s PRO 376 CO 0.53 -0.91 1.02 0.42 0.04 0.00 0.00 177.00 178.10 1iat s ILE 377 N -3.06 4.68 -0.09 0.56 1.01 0.14 -4.67 121.20 119.79 1iat s ILE 377 Ca 0.57 1.96 -0.09 0.00 0.00 0.00 0.00 60.65 63.08 1iat s ILE 377 Cb -0.11 -4.30 -0.04 0.00 0.01 0.00 0.00 42.46 38.02 1iat s ILE 377 CO 0.44 -0.19 0.22 -0.69 0.00 0.00 0.00 174.94 174.72 1iat s VAL 378 N 3.20 5.37 0.29 2.92 1.01 -1.26 -0.90 120.40 131.02 1iat s VAL 378 Ca 0.43 0.39 -0.20 0.00 0.00 0.00 0.00 61.98 62.61 1iat s VAL 378 Cb -0.15 -3.49 0.02 0.00 0.00 0.00 0.00 36.38 32.76 1iat s VAL 378 CO 0.07 0.60 0.71 -1.66 0.00 0.00 0.00 175.10 174.82 1iat s TRP 379 N -1.01 -0.10 0.00 5.22 1.48 -0.98 -4.75 118.94 118.80 1iat s TRP 379 Ca 0.17 -0.37 0.00 0.00 -1.06 0.00 0.00 56.10 54.84 1iat s TRP 379 Cb -0.13 0.67 0.00 0.00 -1.16 0.00 0.00 33.47 32.85 1iat s TRP 379 CO 0.07 -1.25 0.00 0.41 -4.06 0.00 0.00 176.95 172.11 1iat n GLY 380 N -0.46 2.51 3.13 3.67 0.00 -1.26 -0.90 105.19 111.88 1iat n GLY 380 Ca -0.04 -1.24 -0.09 0.00 0.00 0.00 0.00 46.02 44.65 1iat n GLY 380 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1iat s GLU 381 N -2.03 0.62 0.52 1.61 0.41 -1.26 -4.78 118.70 113.80 1iat s GLU 381 Ca 0.00 -0.81 -0.22 0.00 -0.41 0.00 0.00 54.97 53.54 1iat s GLU 381 Cb 0.00 0.24 -0.06 0.00 -1.78 0.00 0.00 34.13 32.54 1iat s GLU 381 CO 0.00 -0.16 1.27 -1.25 -0.49 0.00 0.00 175.26 174.63 1iat s PRO 382 N -2.84 3.33 0.42 0.39 0.04 -1.26 -4.38 135.00 130.70 1iat s PRO 382 Ca -0.03 2.02 -0.20 0.00 0.04 0.00 0.00 61.00 62.83 1iat s PRO 382 Cb 0.00 -2.27 -0.11 0.00 0.04 0.00 0.00 34.50 32.17 1iat s PRO 382 CO -0.06 -0.97 0.92 0.20 0.04 0.00 0.00 177.00 177.13 1iat s GLY 383 N -1.18 2.37 0.00 0.56 0.00 -0.25 -2.19 107.32 106.63 1iat s GLY 383 Ca 0.70 0.34 0.26 0.00 0.00 0.00 0.00 44.72 46.02 1iat s GLY 383 CO 0.41 0.61 1.74 -1.30 0.00 0.00 0.00 173.10 174.56 1iat n THR 384 N -0.62 0.06 -0.23 0.90 -2.24 -1.26 -3.60 114.28 107.30 1iat n THR 384 Ca 0.06 -0.24 0.03 0.00 -2.27 0.00 0.00 64.05 61.64 1iat n THR 384 Cb 0.54 0.30 0.14 0.00 -2.10 0.00 0.00 70.33 69.21 1iat n THR 384 CO 0.00 0.00 0.00 0.78 -0.57 0.00 0.00 175.07 175.28 1iat h ASN 385 N 1.91 -0.11 -0.36 3.42 4.21 -1.80 -0.73 115.58 122.12 1iat h ASN 385 Ca 0.00 0.15 0.07 0.00 1.21 0.00 0.00 56.30 57.73 1iat h ASN 385 Cb 0.41 0.22 -0.02 0.00 -1.12 0.00 0.00 38.32 37.82 1iat h ASN 385 CO 0.00 -0.06 0.25 1.23 -1.29 0.00 0.00 177.43 177.56 1iat h GLY 386 N 0.21 0.22 0.96 2.83 0.00 -1.69 -1.50 103.07 104.09 1iat h GLY 386 Ca 0.37 -0.07 0.13 0.00 0.00 0.00 0.00 47.33 47.75 1iat h GLY 386 CO -0.51 0.05 0.40 1.46 0.00 0.00 0.00 176.54 177.95 1iat h GLN 387 N 0.17 0.24 -0.65 4.80 4.20 -1.44 -0.79 115.11 121.65 1iat h GLN 387 Ca 0.17 -0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.86 1iat h GLN 387 Cb 0.44 -0.05 0.00 0.00 0.30 0.00 0.00 27.48 28.16 1iat h GLN 387 CO -0.03 0.16 0.00 0.72 -0.67 0.00 0.00 178.83 179.02 1iat n HIS 388 N -4.44 0.94 0.06 2.96 8.25 -0.58 -4.24 115.22 118.17 1iat n HIS 388 Ca 0.10 -0.45 0.00 0.00 -0.26 0.00 0.00 57.72 57.11 1iat n HIS 388 Cb 0.48 -0.03 0.00 0.00 1.12 0.00 0.00 29.99 31.56 1iat n HIS 388 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1iat n ALA 389 N 1.34 3.00 -0.45 -1.41 0.00 -0.49 -4.99 120.51 117.51 1iat n ALA 389 Ca 0.22 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.66 1iat n ALA 389 Cb 0.59 0.23 0.00 0.00 0.00 0.00 0.00 19.45 20.26 1iat n ALA 389 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 177.50 179.47 1iat n PHE 390 N -3.49 0.00 0.27 0.00 1.16 -0.42 -4.73 117.46 110.26 1iat n PHE 390 Ca 0.00 -0.01 0.16 0.00 -1.87 0.00 0.00 57.45 55.73 1iat n PHE 390 Cb 0.01 -0.00 0.71 0.00 -1.61 0.00 0.00 39.48 38.59 1iat n PHE 390 CO 0.00 0.00 0.00 1.88 -1.87 0.00 0.00 176.76 176.77 1iat h TYR 391 N 0.00 0.00 -0.77 2.97 -1.99 -1.67 -1.89 116.97 113.62 1iat h TYR 391 Ca 0.00 0.00 0.18 0.00 2.00 0.00 0.00 58.73 60.91 1iat h TYR 391 Cb 0.24 0.00 -0.12 0.00 2.00 0.00 0.00 36.73 38.85 1iat h TYR 391 CO 0.00 0.06 0.16 0.37 -0.00 0.00 0.00 178.16 178.75 1iat h GLN 392 N 0.00 0.22 -0.17 4.88 5.75 -1.85 0.48 115.11 124.42 1iat h GLN 392 Ca -0.00 -0.01 -0.19 0.00 -0.15 0.00 0.00 58.65 58.30 1iat h GLN 392 Cb 0.47 -0.05 -0.00 0.00 1.07 0.00 0.00 27.48 28.97 1iat h GLN 392 CO 0.01 0.15 -0.65 1.25 -2.65 0.00 0.00 178.83 176.93 1iat h LEU 393 N 0.23 0.74 -0.93 -2.39 6.46 -1.70 -0.10 115.31 117.62 1iat h LEU 393 Ca 0.45 -0.44 0.01 0.00 -0.12 0.00 0.00 57.88 57.77 1iat h LEU 393 Cb 0.80 -0.22 -0.05 0.00 -0.73 0.00 0.00 40.66 40.47 1iat h LEU 393 CO -0.57 1.20 0.61 0.40 -0.62 0.00 0.00 178.44 179.46 1iat h ILE 394 N 0.47 1.24 0.16 4.05 2.04 -1.20 0.11 117.51 124.38 1iat h ILE 394 Ca -0.02 -0.44 -0.29 0.00 1.00 0.00 0.00 64.86 65.11 1iat h ILE 394 Cb 1.24 -0.12 0.01 0.00 -0.74 0.00 0.00 36.82 37.21 1iat h ILE 394 CO 0.13 0.23 -1.31 0.45 0.00 0.00 0.00 178.15 177.65 1iat h HIS 395 N 1.26 0.61 0.00 1.37 3.86 -0.81 -3.41 115.15 118.03 1iat h HIS 395 Ca 0.34 -0.45 0.00 0.00 -1.16 0.00 0.00 60.37 59.10 1iat h HIS 395 Cb -0.14 -0.02 0.00 0.00 1.06 0.00 0.00 27.41 28.31 1iat h HIS 395 CO -0.01 1.35 -0.27 1.04 0.86 0.00 0.00 177.93 180.91 1iat n GLN 396 N -3.58 0.37 0.00 2.45 6.02 -0.06 -4.61 117.38 117.97 1iat n GLN 396 Ca -0.11 -1.10 0.00 0.00 -0.01 0.00 0.00 57.00 55.78 1iat n GLN 396 Cb 1.05 -0.66 0.00 0.00 1.02 0.00 0.00 30.24 31.64 1iat n GLN 396 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1iat n GLY 397 N -0.22 0.51 0.21 1.08 0.00 0.02 -4.93 105.19 101.87 1iat n GLY 397 Ca 0.02 -1.77 0.07 0.00 0.00 0.00 0.00 46.02 44.35 1iat n GLY 397 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1iat n THR 398 N 0.00 1.68 -4.52 2.61 -2.24 -1.26 -5.01 114.28 105.54 1iat n THR 398 Ca 0.00 -1.83 -0.33 0.00 -2.27 0.00 0.00 64.05 59.62 1iat n THR 398 Cb 0.00 -0.02 -0.11 0.00 -2.10 0.00 0.00 70.33 68.10 1iat n THR 398 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1iat s LYS 399 N -2.31 2.64 -0.20 -0.78 3.01 -1.26 -5.10 119.74 115.73 1iat s LYS 399 Ca 0.25 -0.65 -0.14 0.00 -1.01 0.00 0.00 55.97 54.43 1iat s LYS 399 Cb 0.21 -2.54 -0.04 0.00 -1.01 0.00 0.00 37.83 34.45 1iat s LYS 399 CO 0.04 0.63 0.32 1.41 0.51 0.00 0.00 175.35 178.25 1iat s MET 400 N -1.17 4.16 -0.30 1.68 -2.45 -1.26 -4.93 119.30 115.02 1iat s MET 400 Ca 0.15 0.06 -0.02 0.00 -1.25 0.00 0.00 55.69 54.63 1iat s MET 400 Cb -0.11 -3.52 0.10 0.00 1.25 0.00 0.00 34.83 32.55 1iat s MET 400 CO 0.05 0.04 0.11 0.42 1.05 0.00 0.00 175.02 176.69 1iat s ILE 401 N 1.10 0.49 0.27 10.11 1.01 -1.26 -4.69 121.20 128.23 1iat s ILE 401 Ca 0.15 -1.17 -0.31 0.00 0.00 0.00 0.00 60.65 59.33 1iat s ILE 401 Cb -0.14 -1.39 -0.12 0.00 0.01 0.00 0.00 42.46 40.82 1iat s ILE 401 CO 0.06 -0.71 1.65 -2.84 0.00 0.00 0.00 174.94 173.10 1iat s PRO 402 N 1.78 4.11 -0.03 2.79 0.02 -1.26 -4.82 135.00 137.60 1iat s PRO 402 Ca 0.10 2.61 0.04 0.00 0.02 0.00 0.00 61.00 63.77 1iat s PRO 402 Cb -0.17 -3.03 -0.01 0.00 0.02 0.00 0.00 34.50 31.31 1iat s PRO 402 CO -0.29 -0.69 -0.16 0.00 -0.33 0.00 0.00 177.00 175.53 1iat s ASP 404 N -0.15 5.66 -0.21 0.00 -0.00 -0.06 -1.11 116.67 120.80 1iat s ASP 404 Ca 0.01 -0.07 -0.10 0.00 -0.00 0.00 0.00 52.55 52.39 1iat s ASP 404 Cb -0.09 -2.03 -0.05 0.00 -0.00 0.00 0.00 42.92 40.75 1iat s ASP 404 CO 0.01 -0.02 0.14 -0.36 -0.00 0.00 0.00 175.17 174.93 1iat s PHE 405 N 1.57 3.37 0.03 4.23 0.08 0.14 -0.82 117.98 126.58 1iat s PHE 405 Ca 0.07 0.28 0.07 0.00 0.12 0.00 0.00 56.93 57.47 1iat s PHE 405 Cb -0.15 -2.20 -0.02 0.00 -0.57 0.00 0.00 43.02 40.07 1iat s PHE 405 CO 0.07 0.20 -0.20 -0.51 -0.10 0.00 0.00 175.22 174.68 1iat s LEU 406 N 0.63 2.14 -0.15 -0.37 1.02 -0.99 -0.44 118.68 120.52 1iat s LEU 406 Ca 0.08 -0.49 -0.27 0.00 0.02 0.00 0.00 54.13 53.47 1iat s LEU 406 Cb -0.12 -0.97 0.07 0.00 0.02 0.00 0.00 46.19 45.19 1iat s LEU 406 CO 0.01 0.17 0.67 -0.51 0.02 0.00 0.00 176.35 176.71 1iat s ILE 407 N -0.73 0.00 0.22 -0.59 2.07 -0.69 -0.03 121.20 121.45 1iat s ILE 407 Ca 0.07 -0.02 -0.27 0.00 -1.41 0.00 0.00 60.65 59.02 1iat s ILE 407 Cb -0.09 -0.96 -0.09 0.00 0.13 0.00 0.00 42.46 41.45 1iat s ILE 407 CO 0.01 -0.01 0.86 -2.16 -1.91 0.00 0.00 174.94 171.73 1iat s PRO 408 N -0.41 4.66 0.13 3.50 0.04 -1.26 -1.83 135.00 139.82 1iat s PRO 408 Ca -0.06 1.29 -0.15 0.00 0.04 0.00 0.00 61.00 62.13 1iat s PRO 408 Cb -0.03 -3.17 -0.02 0.00 0.04 0.00 0.00 34.50 31.32 1iat s PRO 408 CO 0.05 0.50 1.60 0.28 0.04 0.00 0.00 177.00 179.46 1iat h VAL 409 N 3.11 1.25 -3.13 -0.36 2.07 -0.19 -3.43 116.25 115.56 1iat h VAL 409 Ca -0.46 -0.91 -0.62 0.00 0.82 0.00 0.00 66.70 65.53 1iat h VAL 409 Cb 1.20 1.06 -0.12 0.00 -1.52 0.00 0.00 31.29 31.91 1iat h VAL 409 CO 0.67 0.31 -0.51 -1.10 0.02 0.00 0.00 177.57 176.95 1iat s GLN 410 N -5.14 3.92 0.33 1.57 -0.21 0.20 -5.03 119.66 115.30 1iat s GLN 410 Ca -0.13 -0.24 -0.10 0.00 0.02 0.00 0.00 55.36 54.92 1iat s GLN 410 Cb 0.10 -3.29 -0.07 0.00 1.00 0.00 0.00 33.01 30.75 1iat s GLN 410 CO 0.78 0.42 0.67 -0.08 -2.12 0.00 0.00 175.29 174.96 1iat s THR 411 N -0.01 4.86 -0.39 -0.19 -1.32 -1.26 -4.45 115.64 112.87 1iat s THR 411 Ca 0.09 0.50 0.27 0.00 -1.21 0.00 0.00 61.69 61.34 1iat s THR 411 Cb -0.12 -3.69 0.30 0.00 -1.51 0.00 0.00 72.50 67.49 1iat s THR 411 CO 0.00 -0.33 1.78 1.56 -2.21 0.00 0.00 174.62 175.42 1iat h GLN 412 N 1.77 0.00 -2.45 7.08 1.08 -1.99 -3.38 115.11 117.22 1iat h GLN 412 Ca -0.47 0.00 -0.59 0.00 -1.45 0.00 0.00 58.65 56.13 1iat h GLN 412 Cb 1.18 0.00 -0.39 0.00 -0.05 0.00 0.00 27.48 28.22 1iat h GLN 412 CO 0.66 0.00 -0.91 0.72 -0.95 0.00 0.00 178.83 178.35 1iat n HIS 413 N -2.54 0.02 -1.09 2.96 8.25 -1.26 -5.01 115.22 116.55 1iat n HIS 413 Ca 0.03 -3.54 -0.24 0.00 -0.26 0.00 0.00 57.72 53.71 1iat n HIS 413 Cb 0.32 0.02 -0.09 0.00 1.12 0.00 0.00 29.99 31.36 1iat n HIS 413 CO 0.00 0.00 0.00 -0.35 0.64 0.00 0.00 176.34 176.63 1iat n PRO 414 N 2.47 2.70 -1.13 -0.41 -0.04 -1.26 -4.92 135.00 132.42 1iat n PRO 414 Ca 0.27 -1.53 -0.31 0.00 -0.04 0.00 0.00 63.50 61.90 1iat n PRO 414 Cb 0.46 -2.37 0.12 0.00 -0.04 0.00 0.00 33.50 31.67 1iat n PRO 414 CO 0.00 0.00 0.00 0.96 -0.04 0.00 0.00 175.50 176.42 1iat s ILE 415 N 1.75 2.88 -1.55 0.52 -4.36 -1.26 -3.06 121.20 116.12 1iat s ILE 415 Ca 0.64 0.29 -0.11 0.00 -0.26 0.00 0.00 60.65 61.21 1iat s ILE 415 Cb 0.23 -2.69 0.09 0.00 1.25 0.00 0.00 42.46 41.34 1iat s ILE 415 CO -0.03 -0.37 0.75 0.54 0.24 0.00 0.00 174.94 176.06 1iat n ARG 416 N -3.80 -4.05 -3.06 0.37 5.12 -1.26 -1.07 116.66 108.92 1iat n ARG 416 Ca 0.09 0.47 -0.21 0.00 -1.93 0.00 0.00 57.85 56.26 1iat n ARG 416 Cb 0.54 -5.08 0.01 0.00 -1.16 0.00 0.00 32.46 26.76 1iat n ARG 416 CO 0.00 0.00 0.00 1.63 -1.93 0.00 0.00 177.63 177.33 1iat n LYS 417 N -4.47 -3.63 -0.74 5.56 5.02 -1.23 -1.77 118.16 116.90 1iat n LYS 417 Ca -0.06 0.66 0.00 0.00 -2.02 0.00 0.00 58.31 56.89 1iat n LYS 417 Cb 0.56 -5.40 0.00 0.00 -0.02 0.00 0.00 35.03 30.17 1iat n LYS 417 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1iat n GLY 418 N -1.22 0.67 0.23 0.72 0.00 -0.23 -4.96 105.19 100.40 1iat n GLY 418 Ca -0.08 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.87 1iat n GLY 418 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1iat h LEU 419 N 0.00 0.68 -0.60 0.99 5.85 -1.29 -0.88 115.31 120.06 1iat h LEU 419 Ca 0.00 -0.07 -0.02 0.00 0.84 0.00 0.00 57.88 58.63 1iat h LEU 419 Cb 0.00 -0.17 -0.03 0.00 0.37 0.00 0.00 40.66 40.83 1iat h LEU 419 CO 0.00 0.55 0.29 0.45 -0.34 0.00 0.00 178.44 179.39 1iat h HIS 420 N 0.75 0.86 -0.22 1.25 3.86 -1.84 -1.86 115.15 117.95 1iat h HIS 420 Ca 0.20 -0.04 -0.12 0.00 -1.16 0.00 0.00 60.37 59.25 1iat h HIS 420 Cb 0.01 -0.27 -0.01 0.00 1.06 0.00 0.00 27.41 28.20 1iat h HIS 420 CO -0.02 0.65 -0.36 1.25 0.86 0.00 0.00 177.93 180.31 1iat h HIS 421 N 0.81 0.55 -0.78 2.45 -0.00 -1.80 -0.69 115.15 115.69 1iat h HIS 421 Ca 0.20 -0.14 -0.01 0.00 -0.00 0.00 0.00 60.37 60.42 1iat h HIS 421 Cb 0.12 -0.12 -0.04 0.00 -0.00 0.00 0.00 27.41 27.37 1iat h HIS 421 CO -0.00 0.77 0.45 -0.22 -0.00 0.00 0.00 177.93 178.93 1iat h LYS 422 N 0.40 1.08 -0.46 5.26 3.64 -0.88 0.22 116.57 125.83 1iat h LYS 422 Ca 0.04 -0.11 -0.14 0.00 -1.27 0.00 0.00 60.65 59.17 1iat h LYS 422 Cb 0.82 -0.22 -0.01 0.00 -0.41 0.00 0.00 32.23 32.41 1iat h LYS 422 CO 0.07 0.78 -0.26 0.82 -2.27 0.00 0.00 179.45 178.59 1iat h ILE 423 N 1.08 1.27 -0.32 2.00 2.04 -0.96 -0.81 117.51 121.80 1iat h ILE 423 Ca 0.28 -1.43 0.03 0.00 1.00 0.00 0.00 64.86 64.73 1iat h ILE 423 Cb 0.00 1.19 -0.03 0.00 -0.74 0.00 0.00 36.82 37.24 1iat h ILE 423 CO -0.05 0.49 0.15 0.25 0.00 0.00 0.00 178.15 178.99 1iat h LEU 424 N 0.84 0.21 -0.66 1.44 5.85 -0.76 -1.25 115.31 120.97 1iat h LEU 424 Ca 0.10 0.02 -0.02 0.00 0.84 0.00 0.00 57.88 58.82 1iat h LEU 424 Cb 0.85 -0.02 -0.03 0.00 0.37 0.00 0.00 40.66 41.83 1iat h LEU 424 CO 0.08 0.16 0.34 -0.07 -0.34 0.00 0.00 178.44 178.60 1iat h LEU 425 N 0.31 0.85 -0.80 2.25 3.38 -0.79 -1.06 115.31 119.45 1iat h LEU 425 Ca 0.14 -0.12 -0.02 0.00 0.09 0.00 0.00 57.88 57.97 1iat h LEU 425 Cb 0.06 -0.22 -0.04 0.00 0.09 0.00 0.00 40.66 40.56 1iat h LEU 425 CO -0.11 0.73 0.44 0.00 0.09 0.00 0.00 178.44 179.59 1iat h ALA 426 N 1.16 1.02 -0.51 1.53 0.00 -0.73 -1.08 119.26 120.65 1iat h ALA 426 Ca 0.23 -0.12 -0.09 0.00 0.00 0.00 0.00 54.91 54.93 1iat h ALA 426 Cb 0.08 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.54 1iat h ALA 426 CO -0.03 0.54 -0.05 -0.91 0.00 0.00 0.00 179.25 178.80 1iat h ASN 427 N 1.11 0.92 -0.61 0.00 4.21 -0.90 -0.39 115.58 119.93 1iat h ASN 427 Ca 0.28 -0.33 0.08 0.00 1.21 0.00 0.00 56.30 57.54 1iat h ASN 427 Cb 0.03 -0.25 -0.06 0.00 -1.12 0.00 0.00 38.32 36.92 1iat h ASN 427 CO -0.05 1.03 0.27 0.15 -1.29 0.00 0.00 177.43 177.54 1iat h PHE 428 N 0.79 0.48 -0.15 1.19 3.57 -0.73 -1.16 116.94 120.93 1iat h PHE 428 Ca 0.14 0.03 -0.15 0.00 3.53 0.00 0.00 57.97 61.51 1iat h PHE 428 Cb 0.59 -0.12 0.00 0.00 2.79 0.00 0.00 35.95 39.21 1iat h PHE 428 CO 0.04 0.17 -0.49 -0.07 -2.23 0.00 0.00 178.31 175.73 1iat h LEU 429 N 0.49 0.70 -1.12 0.59 3.38 -1.12 -3.27 115.31 114.95 1iat h LEU 429 Ca 0.29 -0.60 -0.08 0.00 0.09 0.00 0.00 57.88 57.59 1iat h LEU 429 Cb 0.30 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.83 1iat h LEU 429 CO -0.25 1.18 -0.20 0.00 0.09 0.00 0.00 178.44 179.26 1iat h ALA 430 N 0.54 1.27 -0.32 1.53 0.00 -0.82 -2.20 119.26 119.25 1iat h ALA 430 Ca -0.02 -0.29 -0.11 0.00 0.00 0.00 0.00 54.91 54.49 1iat h ALA 430 Cb 1.12 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.79 1iat h ALA 430 CO 0.10 0.48 -0.23 1.96 0.00 0.00 0.00 179.25 181.57 1iat h GLN 431 N 0.35 0.71 -0.07 0.00 1.08 -1.27 0.14 115.11 116.05 1iat h GLN 431 Ca 0.06 -0.34 -0.16 0.00 -1.45 0.00 0.00 58.65 56.75 1iat h GLN 431 Cb 0.55 -0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.96 1iat h GLN 431 CO 0.04 0.96 -0.68 1.79 -0.95 0.00 0.00 178.83 179.99 1iat h THR 432 N 0.47 1.40 -0.61 -0.54 1.35 -1.62 -0.76 112.91 112.61 1iat h THR 432 Ca 0.06 -2.11 -0.00 0.00 -0.55 0.00 0.00 66.41 63.80 1iat h THR 432 Cb 0.78 2.09 -0.03 0.00 -1.73 0.00 0.00 68.15 69.27 1iat h THR 432 CO 0.06 0.63 0.36 -0.08 -0.25 0.00 0.00 175.52 176.24 1iat h GLU 433 N 0.20 0.83 -0.39 4.72 4.81 -1.21 -1.89 114.58 121.66 1iat h GLU 433 Ca -0.02 -0.08 -0.05 0.00 -0.13 0.00 0.00 59.36 59.09 1iat h GLU 433 Cb 1.22 -0.17 -0.02 0.00 0.63 0.00 0.00 28.75 30.41 1iat h GLU 433 CO 0.11 0.60 0.06 0.00 -0.73 0.00 0.00 179.01 179.05 1iat h ALA 434 N 1.18 0.51 -0.62 2.92 0.00 -0.53 0.12 119.26 122.84 1iat h ALA 434 Ca 0.22 -0.21 0.04 0.00 0.00 0.00 0.00 54.91 54.96 1iat h ALA 434 Cb -0.01 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 17.60 1iat h ALA 434 CO -0.04 0.22 0.41 -0.07 0.00 0.00 0.00 179.25 179.78 1iat h LEU 435 N 0.48 0.61 0.02 0.00 3.38 -1.01 -1.07 115.31 117.73 1iat h LEU 435 Ca 0.12 -0.01 -0.05 0.00 0.09 0.00 0.00 57.88 58.03 1iat h LEU 435 Cb 0.37 -0.14 0.01 0.00 0.09 0.00 0.00 40.66 40.98 1iat h LEU 435 CO 0.01 0.42 -0.21 -0.03 0.09 0.00 0.00 178.44 178.72 1iat h MET 436 N 0.71 0.11 0.19 1.13 4.05 -1.06 -1.01 114.93 119.04 1iat h MET 436 Ca 0.25 -0.14 -0.31 0.00 -0.28 0.00 0.00 59.70 59.22 1iat h MET 436 Cb 0.13 0.05 0.02 0.00 -0.80 0.00 0.00 31.60 30.99 1iat h MET 436 CO -0.07 0.97 -1.42 0.07 0.23 0.00 0.00 176.91 176.69 1iat h ARG 437 N -0.69 0.39 0.00 0.39 0.11 -0.55 -1.99 114.38 112.05 1iat h ARG 437 Ca -0.03 -0.67 0.00 0.00 0.10 0.00 0.00 59.98 59.38 1iat h ARG 437 Cb 1.06 0.25 0.00 0.00 1.11 0.00 0.00 29.97 32.39 1iat h ARG 437 CO 0.04 1.31 0.00 0.41 0.10 0.00 0.00 179.97 181.83 1iat n GLY 438 N 1.65 0.80 3.53 0.08 0.00 -0.43 -4.70 105.19 106.13 1iat n GLY 438 Ca -0.14 -0.81 0.00 0.00 0.00 0.00 0.00 46.02 45.07 1iat n GLY 438 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1iat s LYS 439 N 0.00 0.58 0.83 1.61 2.20 0.03 -4.91 119.74 120.08 1iat s LYS 439 Ca 0.00 1.35 -0.12 0.00 -0.36 0.00 0.00 55.97 56.84 1iat s LYS 439 Cb 0.00 0.80 0.09 0.00 -1.51 0.00 0.00 37.83 37.21 1iat s LYS 439 CO 0.00 -0.30 1.11 -1.54 -0.36 0.00 0.00 175.35 174.26 1iat s SER 440 N 2.89 4.18 0.22 1.43 1.04 -1.26 -1.37 113.70 120.82 1iat s SER 440 Ca 0.00 1.17 -0.11 0.00 0.48 0.00 0.00 55.95 57.50 1iat s SER 440 Cb -0.13 -1.84 0.31 0.00 0.10 0.00 0.00 66.02 64.45 1iat s SER 440 CO -0.19 -2.15 1.65 0.74 0.98 0.00 0.00 173.24 174.26 1iat h THR 441 N -1.22 0.44 -0.38 2.02 2.02 -1.95 -0.08 112.91 113.77 1iat h THR 441 Ca -0.48 -0.03 -0.12 0.00 0.77 0.00 0.00 66.41 66.54 1iat h THR 441 Cb 1.29 0.34 -0.01 0.00 -1.74 0.00 0.00 68.15 68.03 1iat h THR 441 CO 0.60 0.02 -0.27 -0.08 0.37 0.00 0.00 175.52 176.16 1iat h GLU 442 N 0.08 0.79 -0.59 6.66 4.57 -1.99 0.54 114.58 124.65 1iat h GLU 442 Ca 0.33 -0.34 -0.02 0.00 -1.18 0.00 0.00 59.36 58.15 1iat h GLU 442 Cb 0.54 -0.02 -0.03 0.00 -0.16 0.00 0.00 28.75 29.08 1iat h GLU 442 CO -0.58 0.96 0.29 0.93 -1.18 0.00 0.00 179.01 179.43 1iat h GLU 443 N 0.68 0.85 -0.28 1.92 5.08 -1.74 -1.11 114.58 119.97 1iat h GLU 443 Ca 0.08 -0.12 -0.13 0.00 -1.00 0.00 0.00 59.36 58.19 1iat h GLU 443 Cb 0.79 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.88 1iat h GLU 443 CO 0.07 0.68 -0.37 0.00 -1.00 0.00 0.00 179.01 178.39 1iat h ALA 444 N 1.12 0.82 -0.18 3.43 0.00 -0.66 -2.38 119.26 121.42 1iat h ALA 444 Ca 0.20 -0.43 0.00 0.00 0.00 0.00 0.00 54.91 54.68 1iat h ALA 444 Cb 0.11 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 1iat h ALA 444 CO -0.03 0.64 0.12 -0.09 0.00 0.00 0.00 179.25 179.89 1iat h ARG 445 N 0.53 0.25 -0.58 0.00 2.43 -0.67 -1.44 114.38 114.89 1iat h ARG 445 Ca 0.05 -0.02 0.08 0.00 -0.81 0.00 0.00 59.98 59.28 1iat h ARG 445 Cb 0.89 -0.05 -0.06 0.00 -0.42 0.00 0.00 29.97 30.32 1iat h ARG 445 CO 0.08 0.19 0.24 -0.22 -1.51 0.00 0.00 179.97 178.75 1iat h LYS 446 N 0.23 0.43 -0.60 0.20 1.63 -1.07 -0.16 116.57 117.23 1iat h LYS 446 Ca 0.07 -0.03 -0.01 0.00 -0.85 0.00 0.00 60.65 59.83 1iat h LYS 446 Cb 0.00 -0.10 -0.03 0.00 -0.60 0.00 0.00 32.23 31.51 1iat h LYS 446 CO -0.01 0.28 0.33 0.93 -3.45 0.00 0.00 179.45 177.53 1iat h GLU 447 N 0.44 0.83 -0.47 1.90 5.08 -1.12 -0.88 114.58 120.36 1iat h GLU 447 Ca 0.28 -0.09 -0.09 0.00 -1.00 0.00 0.00 59.36 58.45 1iat h GLU 447 Cb 0.30 -0.16 -0.02 0.00 0.50 0.00 0.00 28.75 29.37 1iat h GLU 447 CO -0.26 0.63 -0.08 -0.07 -1.00 0.00 0.00 179.01 178.23 1iat h LEU 448 N 0.81 0.83 -0.15 1.33 3.38 -0.69 -1.81 115.31 119.02 1iat h LEU 448 Ca 0.21 -0.24 -0.03 0.00 0.09 0.00 0.00 57.88 57.91 1iat h LEU 448 Cb 0.03 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.56 1iat h LEU 448 CO -0.04 0.94 -0.01 -0.61 0.09 0.00 0.00 178.44 178.81 1iat h GLN 449 N 0.76 0.27 0.00 1.13 4.15 -0.79 -2.43 115.11 118.20 1iat h GLN 449 Ca 0.13 -0.09 -0.01 0.00 0.77 0.00 0.00 58.65 59.45 1iat h GLN 449 Cb 0.58 -0.02 -0.00 0.00 0.21 0.00 0.00 27.48 28.25 1iat h GLN 449 CO 0.04 0.52 -0.03 0.00 -1.93 0.00 0.00 178.83 177.43 1iat h ALA 450 N 0.74 1.27 -0.02 3.38 0.00 -1.00 -0.16 119.26 123.48 1iat h ALA 450 Ca 0.04 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1iat h ALA 450 Cb 0.41 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.19 1iat h ALA 450 CO 0.01 0.03 0.00 0.00 0.00 0.00 0.00 179.25 179.29 1iat n ALA 451 N -2.22 2.63 -1.08 0.00 0.00 -0.69 -4.92 120.51 114.23 1iat n ALA 451 Ca -0.03 -0.32 0.00 0.00 0.00 0.00 0.00 53.44 53.09 1iat n ALA 451 Cb 0.12 -1.33 0.00 0.00 0.00 0.00 0.00 19.45 18.25 1iat n ALA 451 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1iat n GLY 452 N 1.07 0.47 3.77 0.00 0.00 -0.07 -5.05 105.19 105.38 1iat n GLY 452 Ca 0.21 -0.93 -0.39 0.00 0.00 0.00 0.00 46.02 44.91 1iat n GLY 452 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1iat s LYS 453 N -2.18 4.41 0.78 1.61 -0.14 -0.99 -5.04 119.74 118.19 1iat s LYS 453 Ca 0.00 1.73 -0.11 0.00 -1.36 0.00 0.00 55.97 56.23 1iat s LYS 453 Cb 0.00 -2.92 0.06 0.00 -1.68 0.00 0.00 37.83 33.29 1iat s LYS 453 CO 0.00 0.02 1.09 -1.54 -0.76 0.00 0.00 175.35 174.16 1iat s SER 454 N -1.11 4.54 0.15 2.83 1.04 -1.26 -4.75 113.70 115.15 1iat s SER 454 Ca 0.50 1.50 -0.17 0.00 0.48 0.00 0.00 55.95 58.26 1iat s SER 454 Cb -0.29 -2.26 0.06 0.00 0.10 0.00 0.00 66.02 63.64 1iat s SER 454 CO 0.37 -1.96 1.70 -0.65 0.98 0.00 0.00 173.24 173.68 1iat h PRO 455 N -1.08 0.07 -0.61 4.02 0.11 -1.98 0.13 132.00 132.65 1iat h PRO 455 Ca -0.46 -0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.64 1iat h PRO 455 Cb 1.25 -0.01 -0.03 0.00 0.11 0.00 0.00 31.00 32.32 1iat h PRO 455 CO 0.57 0.04 0.34 1.05 -0.21 0.00 0.00 178.00 179.79 1iat h GLU 456 N 0.07 0.85 -0.31 1.05 9.09 -2.00 -0.36 114.58 122.97 1iat h GLU 456 Ca 0.16 -0.10 -0.14 0.00 0.05 0.00 0.00 59.36 59.34 1iat h GLU 456 Cb 0.23 -0.17 -0.01 0.00 -1.65 0.00 0.00 28.75 27.15 1iat h GLU 456 CO -0.30 0.64 -0.38 -0.44 0.05 0.00 0.00 179.01 178.59 1iat h ASP 457 N 0.83 0.77 -0.34 3.06 3.32 -1.84 -2.73 116.42 119.48 1iat h ASP 457 Ca 0.22 -0.34 -0.02 0.00 0.02 0.00 0.00 57.03 56.91 1iat h ASP 457 Cb 0.03 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 39.35 1iat h ASP 457 CO -0.04 1.06 0.13 0.25 -1.72 0.00 0.00 179.24 178.92 1iat h LEU 458 N 0.60 0.48 -1.24 1.55 6.46 -0.50 -2.24 115.31 120.42 1iat h LEU 458 Ca 0.05 -0.18 -0.00 0.00 -0.12 0.00 0.00 57.88 57.63 1iat h LEU 458 Cb 0.91 -0.13 -0.03 0.00 -0.73 0.00 0.00 40.66 40.68 1iat h LEU 458 CO 0.08 0.53 0.42 -0.08 -0.62 0.00 0.00 178.44 178.77 1iat h GLU 459 N 0.41 0.93 0.05 1.25 4.81 -0.84 0.86 114.58 122.05 1iat h GLU 459 Ca 0.11 -0.08 -0.26 0.00 -0.13 0.00 0.00 59.36 59.01 1iat h GLU 459 Cb 0.21 -0.20 0.02 0.00 0.63 0.00 0.00 28.75 29.41 1iat h GLU 459 CO -0.01 0.65 -1.03 0.00 -0.73 0.00 0.00 179.01 177.90 1iat h ARG 460 N 0.95 0.61 0.11 1.92 3.08 -1.45 -3.36 114.38 116.24 1iat h ARG 460 Ca 0.25 -0.72 -0.27 0.00 0.07 0.00 0.00 59.98 59.31 1iat h ARG 460 Cb -0.04 0.22 0.00 0.00 0.08 0.00 0.00 29.97 30.23 1iat h ARG 460 CO -0.05 1.31 -1.21 1.25 -1.07 0.00 0.00 179.97 180.20 1iat h LEU 461 N 0.24 0.40 -0.82 3.04 5.85 -0.87 -3.39 115.31 119.76 1iat h LEU 461 Ca -0.14 -0.42 0.15 0.00 0.84 0.00 0.00 57.88 58.30 1iat h LEU 461 Cb 1.70 -0.13 -0.15 0.00 0.37 0.00 0.00 40.66 42.46 1iat h LEU 461 CO 0.20 1.32 -0.30 0.25 -0.34 0.00 0.00 178.44 179.57 1iat h LEU 462 N 0.08 -1.10 -1.65 2.25 5.85 -0.99 -1.43 115.31 118.31 1iat h LEU 462 Ca -0.12 0.26 0.05 0.00 0.84 0.00 0.00 57.88 58.91 1iat h LEU 462 Cb 1.93 0.61 -0.03 0.00 0.37 0.00 0.00 40.66 43.55 1iat h LEU 462 CO 0.20 -0.29 0.31 -0.65 -0.34 0.00 0.00 178.44 177.66 1iat h PRO 463 N -0.05 0.42 0.00 5.25 0.11 -1.79 -0.89 132.00 135.06 1iat h PRO 463 Ca 0.34 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.42 1iat h PRO 463 Cb 0.59 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 31.61 1iat h PRO 463 CO -0.86 0.28 0.00 0.72 -0.21 0.00 0.00 178.00 177.93 1iat n HIS 464 N -4.48 0.71 1.20 0.65 8.25 -0.54 -2.86 115.22 118.16 1iat n HIS 464 Ca 0.06 0.27 0.13 0.00 -0.26 0.00 0.00 57.72 57.91 1iat n HIS 464 Cb 0.21 -0.93 0.34 0.00 1.12 0.00 0.00 29.99 30.73 1iat n HIS 464 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 1iat n LYS 465 N -2.13 1.97 -3.13 -0.41 5.02 -0.34 -4.93 118.16 114.20 1iat n LYS 465 Ca 0.03 -1.41 -0.39 0.00 -2.02 0.00 0.00 58.31 54.52 1iat n LYS 465 Cb 0.25 -1.47 -0.06 0.00 -0.02 0.00 0.00 35.03 33.74 1iat n LYS 465 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1iat s VAL 466 N -1.94 4.63 -0.17 -0.18 1.01 -1.13 -4.87 120.40 117.76 1iat s VAL 466 Ca 0.34 1.43 0.01 0.00 0.00 0.00 0.00 61.98 63.76 1iat s VAL 466 Cb 0.20 -4.01 0.01 0.00 0.00 0.00 0.00 36.38 32.58 1iat s VAL 466 CO 0.31 0.50 -0.18 -0.36 0.00 0.00 0.00 175.10 175.37 1iat s PHE 467 N -0.88 2.76 0.11 5.22 0.08 -0.47 -4.95 117.98 119.85 1iat s PHE 467 Ca 0.33 -1.37 0.19 0.00 0.12 0.00 0.00 56.93 56.19 1iat s PHE 467 Cb -0.21 -1.89 0.60 0.00 -0.57 0.00 0.00 43.02 40.95 1iat s PHE 467 CO 0.22 -0.66 1.69 0.93 -0.10 0.00 0.00 175.22 177.30 1iat h GLU 468 N 7.62 0.00 0.00 0.44 5.08 -1.82 0.12 114.58 126.02 1iat h GLU 468 Ca -0.38 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.98 1iat h GLU 468 Cb 1.17 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.42 1iat h GLU 468 CO 0.59 0.39 0.00 0.41 -1.00 0.00 0.00 179.01 179.40 1iat n GLY 469 N 0.39 0.76 2.42 -3.84 0.00 -1.26 -4.72 105.19 98.94 1iat n GLY 469 Ca 0.00 -0.71 -0.21 0.00 0.00 0.00 0.00 46.02 45.10 1iat n GLY 469 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1iat n ASN 470 N -1.92 -5.81 -4.40 1.61 5.15 -0.75 -4.93 115.26 104.21 1iat n ASN 470 Ca 0.00 0.05 -0.39 0.00 -0.60 0.00 0.00 54.58 53.64 1iat n ASN 470 Cb 0.00 -4.87 -0.12 0.00 -0.53 0.00 0.00 39.78 34.27 1iat n ASN 470 CO 0.00 0.00 0.00 -0.13 1.40 0.00 0.00 177.26 178.53 1iat s ARG 471 N -4.91 3.14 0.35 1.20 0.52 -0.42 -4.88 118.95 113.95 1iat s ARG 471 Ca 0.00 -0.85 -0.20 0.00 -0.52 0.00 0.00 55.73 54.15 1iat s ARG 471 Cb 0.00 -3.59 -0.10 0.00 0.52 0.00 0.00 34.95 31.79 1iat s ARG 471 CO 0.00 -0.51 0.86 -1.25 0.02 0.00 0.00 175.30 174.43 1iat s PRO 472 N 1.58 4.25 0.05 3.54 0.04 -1.26 -3.90 135.00 139.30 1iat s PRO 472 Ca 0.03 1.02 -0.05 0.00 0.04 0.00 0.00 61.00 62.05 1iat s PRO 472 Cb -0.18 -2.47 -0.02 0.00 0.04 0.00 0.00 34.50 31.87 1iat s PRO 472 CO 0.06 0.14 0.07 0.95 0.04 0.00 0.00 177.00 178.26 1iat s THR 473 N -1.92 0.16 -0.01 1.26 -4.23 -0.39 -3.50 115.64 107.01 1iat s THR 473 Ca 0.55 -1.30 -0.00 0.00 -1.18 0.00 0.00 61.69 59.75 1iat s THR 473 Cb -0.12 -1.13 -0.04 0.00 1.34 0.00 0.00 72.50 72.55 1iat s THR 473 CO 0.18 -0.72 0.05 0.20 -0.54 0.00 0.00 174.62 173.79 1iat s ASN 474 N -2.46 5.51 -0.16 3.99 0.02 -0.27 -4.09 114.94 117.47 1iat s ASN 474 Ca -0.00 0.11 0.01 0.00 -1.02 0.00 0.00 52.86 51.96 1iat s ASN 474 Cb 0.02 -1.55 0.01 0.00 0.02 0.00 0.00 41.25 39.76 1iat s ASN 474 CO -0.07 0.28 -0.19 -0.44 0.02 0.00 0.00 177.10 176.70 1iat s SER 475 N -1.63 3.29 -0.24 -1.22 0.01 -0.51 -0.69 113.70 112.72 1iat s SER 475 Ca 0.21 -0.58 0.00 0.00 1.31 0.00 0.00 55.95 56.89 1iat s SER 475 Cb -0.12 -1.50 0.04 0.00 0.21 0.00 0.00 66.02 64.65 1iat s SER 475 CO 0.12 0.04 -0.11 -0.63 0.41 0.00 0.00 173.24 173.08 1iat s ILE 476 N 1.05 2.47 -0.08 1.44 1.01 0.42 -0.70 121.20 126.81 1iat s ILE 476 Ca -0.01 -1.21 0.04 0.00 0.00 0.00 0.00 60.65 59.47 1iat s ILE 476 Cb -0.14 -2.27 0.00 0.00 0.01 0.00 0.00 42.46 40.06 1iat s ILE 476 CO -0.06 0.20 -0.20 -0.69 0.00 0.00 0.00 174.94 174.19 1iat s VAL 477 N 1.24 1.68 0.11 2.92 1.01 -0.44 -1.70 120.40 125.23 1iat s VAL 477 Ca -0.02 -0.82 0.04 0.00 0.00 0.00 0.00 61.98 61.19 1iat s VAL 477 Cb -0.17 -1.47 -0.04 0.00 0.00 0.00 0.00 36.38 34.71 1iat s VAL 477 CO -0.07 0.48 -0.10 0.72 0.00 0.00 0.00 175.10 176.13 1iat s PHE 478 N 0.33 1.13 0.14 5.22 -0.12 -0.76 -0.18 117.98 123.72 1iat s PHE 478 Ca -0.14 -0.68 -0.23 0.00 -0.05 0.00 0.00 56.93 55.84 1iat s PHE 478 Cb -0.16 -0.60 -0.01 0.00 -0.63 0.00 0.00 43.02 41.62 1iat s PHE 478 CO 0.06 0.02 1.65 1.15 -0.05 0.00 0.00 175.22 178.05 1iat h THR 479 N 3.35 0.53 -1.96 -4.49 2.02 -1.64 0.30 112.91 111.02 1iat h THR 479 Ca -0.37 0.00 -0.04 0.00 0.77 0.00 0.00 66.41 66.76 1iat h THR 479 Cb 1.19 0.53 -0.20 0.00 -1.74 0.00 0.00 68.15 67.92 1iat h THR 479 CO 0.56 0.00 0.20 -0.75 0.37 0.00 0.00 175.52 175.90 1iat s LYS 480 N -6.12 0.96 -1.18 6.66 2.20 -1.26 -0.63 119.74 120.37 1iat s LYS 480 Ca -0.15 0.45 -0.17 0.00 -0.36 0.00 0.00 55.97 55.75 1iat s LYS 480 Cb 0.11 0.46 0.13 0.00 -1.51 0.00 0.00 37.83 37.01 1iat s LYS 480 CO 0.68 -0.26 1.48 -1.17 -0.36 0.00 0.00 175.35 175.72 1iat s LEU 481 N -0.76 4.56 0.50 5.43 2.96 -1.26 -4.70 118.68 125.42 1iat s LEU 481 Ca -0.07 -2.57 0.04 0.00 -0.22 0.00 0.00 54.13 51.31 1iat s LEU 481 Cb -0.01 -2.47 0.03 0.00 0.50 0.00 0.00 46.19 44.23 1iat s LEU 481 CO 0.07 -0.98 0.70 0.42 -1.32 0.00 0.00 176.35 175.23 1iat s THR 482 N 2.81 2.78 0.22 3.68 -4.23 -1.26 -4.90 115.64 114.74 1iat s THR 482 Ca 0.45 -0.80 -0.07 0.00 -1.18 0.00 0.00 61.69 60.09 1iat s THR 482 Cb -0.01 -2.98 0.17 0.00 1.34 0.00 0.00 72.50 71.03 1iat s THR 482 CO 0.00 0.00 1.79 -0.65 -0.54 0.00 0.00 174.62 175.22 1iat h PRO 483 N 0.29 0.64 -0.23 3.99 0.11 -1.92 0.28 132.00 135.15 1iat h PRO 483 Ca -0.41 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 65.65 1iat h PRO 483 Cb 1.29 -0.14 -0.01 0.00 0.11 0.00 0.00 31.00 32.25 1iat h PRO 483 CO 0.49 0.42 0.10 0.35 -0.21 0.00 0.00 178.00 179.15 1iat h PHE 484 N 0.66 0.35 -0.64 0.65 3.04 -1.87 -1.45 116.94 117.67 1iat h PHE 484 Ca 0.35 -0.02 -0.08 0.00 3.98 0.00 0.00 57.97 62.20 1iat h PHE 484 Cb 0.32 -0.10 -0.03 0.00 2.56 0.00 0.00 35.95 38.70 1iat h PHE 484 CO -0.09 0.37 0.10 1.98 -2.02 0.00 0.00 178.31 178.65 1iat h MET 485 N 0.22 1.05 -0.66 1.11 4.05 -1.76 -1.56 114.93 117.38 1iat h MET 485 Ca 0.08 -0.27 -0.01 0.00 -0.28 0.00 0.00 59.70 59.22 1iat h MET 485 Cb 0.16 -0.13 -0.03 0.00 -0.80 0.00 0.00 31.60 30.80 1iat h MET 485 CO -0.01 0.96 0.39 1.25 0.23 0.00 0.00 176.91 179.73 1iat h LEU 486 N 0.98 0.81 -0.72 3.39 5.85 -0.70 -0.84 115.31 124.08 1iat h LEU 486 Ca 0.20 -0.07 0.02 0.00 0.84 0.00 0.00 57.88 58.87 1iat h LEU 486 Cb 0.42 -0.20 -0.04 0.00 0.37 0.00 0.00 40.66 41.21 1iat h LEU 486 CO 0.01 0.64 0.46 1.23 -0.34 0.00 0.00 178.44 180.44 1iat h GLY 487 N 0.90 1.03 0.99 3.75 0.00 -0.76 -0.49 103.07 108.49 1iat h GLY 487 Ca 0.24 -0.35 -0.01 0.00 0.00 0.00 0.00 47.33 47.21 1iat h GLY 487 CO -0.04 0.31 0.31 0.00 0.00 0.00 0.00 176.54 177.11 1iat h ALA 488 N 1.30 0.72 -0.54 3.60 0.00 -0.82 -1.89 119.26 121.62 1iat h ALA 488 Ca 0.28 -0.10 -0.09 0.00 0.00 0.00 0.00 54.91 55.00 1iat h ALA 488 Cb -0.01 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.53 1iat h ALA 488 CO -0.10 0.23 -0.03 -0.07 0.00 0.00 0.00 179.25 179.29 1iat h LEU 489 N 0.75 0.97 -0.43 0.00 3.38 -0.72 -0.39 115.31 118.87 1iat h LEU 489 Ca 0.20 -0.32 -0.05 0.00 0.09 0.00 0.00 57.88 57.80 1iat h LEU 489 Cb 0.04 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.51 1iat h LEU 489 CO -0.03 1.05 0.07 0.58 0.09 0.00 0.00 178.44 180.20 1iat h VAL 490 N 0.85 1.24 -0.36 1.22 2.07 -1.03 -2.69 116.25 117.56 1iat h VAL 490 Ca 0.15 -0.89 -0.04 0.00 0.82 0.00 0.00 66.70 66.74 1iat h VAL 490 Cb 0.58 0.99 -0.02 0.00 -1.52 0.00 0.00 31.29 31.32 1iat h VAL 490 CO 0.03 0.31 0.07 0.00 0.02 0.00 0.00 177.57 178.00 1iat h ALA 491 N 0.94 1.45 -0.34 1.67 0.00 -1.17 -1.11 119.26 120.71 1iat h ALA 491 Ca 0.13 -0.16 0.03 0.00 0.00 0.00 0.00 54.91 54.91 1iat h ALA 491 Cb 0.38 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.99 1iat h ALA 491 CO 0.01 0.40 0.15 1.98 0.00 0.00 0.00 179.25 181.79 1iat h MET 492 N 0.52 0.31 -0.18 0.00 -1.53 -0.75 -0.81 114.93 112.48 1iat h MET 492 Ca 0.12 -0.02 -0.14 0.00 -3.44 0.00 0.00 59.70 56.22 1iat h MET 492 Cb 0.23 -0.07 -0.01 0.00 -0.55 0.00 0.00 31.60 31.20 1iat h MET 492 CO -0.00 0.21 -0.49 1.88 0.14 0.00 0.00 176.91 178.65 1iat h TYR 493 N 0.32 0.60 -0.53 1.39 -1.99 -1.20 -1.18 116.97 114.39 1iat h TYR 493 Ca 0.14 -0.19 0.09 0.00 2.00 0.00 0.00 58.73 60.77 1iat h TYR 493 Cb 0.07 -0.12 -0.07 0.00 2.00 0.00 0.00 36.73 38.61 1iat h TYR 493 CO -0.11 0.88 0.12 0.93 -0.00 0.00 0.00 178.16 179.99 1iat h GLU 494 N 0.39 0.26 -0.04 4.88 5.08 -0.70 -1.46 114.58 122.99 1iat h GLU 494 Ca 0.02 -0.02 -0.14 0.00 -1.00 0.00 0.00 59.36 58.22 1iat h GLU 494 Cb 1.00 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 30.17 1iat h GLU 494 CO 0.09 0.17 -0.62 0.45 -1.00 0.00 0.00 179.01 178.10 1iat h HIS 495 N 0.27 0.17 -0.36 4.33 3.86 -0.89 -1.47 115.15 121.05 1iat h HIS 495 Ca 0.27 -0.07 0.04 0.00 -1.16 0.00 0.00 60.37 59.45 1iat h HIS 495 Cb 0.35 -0.03 -0.04 0.00 1.06 0.00 0.00 27.41 28.76 1iat h HIS 495 CO -0.22 0.71 0.13 -0.22 0.86 0.00 0.00 177.93 179.20 1iat h LYS 496 N 0.10 0.28 -0.75 2.45 3.64 -0.78 -1.23 116.57 120.27 1iat h LYS 496 Ca -0.01 -0.02 -0.04 0.00 -1.27 0.00 0.00 60.65 59.32 1iat h LYS 496 Cb 1.11 -0.06 -0.03 0.00 -0.41 0.00 0.00 32.23 32.84 1iat h LYS 496 CO 0.09 0.18 0.31 0.82 -2.27 0.00 0.00 179.45 178.58 1iat h ILE 497 N 0.29 1.25 -0.07 2.00 2.04 -0.99 -1.68 117.51 120.35 1iat h ILE 497 Ca 0.16 -0.77 0.02 0.00 1.00 0.00 0.00 64.86 65.27 1iat h ILE 497 Cb 0.13 0.34 -0.02 0.00 -0.74 0.00 0.00 36.82 36.54 1iat h ILE 497 CO -0.16 0.31 -0.03 0.15 0.00 0.00 0.00 178.15 178.43 1iat h PHE 498 N 1.08 -0.06 -0.61 1.37 3.57 -0.87 -1.70 116.94 119.72 1iat h PHE 498 Ca 0.25 0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.74 1iat h PHE 498 Cb 0.19 0.04 -0.03 0.00 2.79 0.00 0.00 35.95 38.94 1iat h PHE 498 CO 0.02 -0.05 0.33 0.28 -2.23 0.00 0.00 178.31 176.66 1iat h VAL 499 N -0.02 1.20 -0.75 1.41 2.07 -0.75 -1.71 116.25 117.71 1iat h VAL 499 Ca 0.04 -0.52 -0.01 0.00 0.82 0.00 0.00 66.70 67.04 1iat h VAL 499 Cb 0.07 0.43 -0.04 0.00 -1.52 0.00 0.00 31.29 30.23 1iat h VAL 499 CO -0.08 0.22 0.45 1.56 0.02 0.00 0.00 177.57 179.74 1iat h GLN 500 N 0.83 1.02 -0.83 1.57 4.20 -1.16 -1.59 115.11 119.15 1iat h GLN 500 Ca 0.21 -0.09 -0.01 0.00 0.06 0.00 0.00 58.65 58.82 1iat h GLN 500 Cb 0.06 -0.21 -0.04 0.00 0.30 0.00 0.00 27.48 27.59 1iat h GLN 500 CO -0.03 0.72 0.47 0.78 -0.67 0.00 0.00 178.83 180.10 1iat h GLY 501 N 1.02 1.22 1.00 3.46 0.00 -0.90 -0.60 103.07 108.28 1iat h GLY 501 Ca 0.27 -0.54 -0.07 0.00 0.00 0.00 0.00 47.33 46.99 1iat h GLY 501 CO -0.05 0.52 0.05 -2.22 0.00 0.00 0.00 176.54 174.84 1iat h ILE 502 N 1.14 1.26 -0.87 2.60 1.08 -0.91 -1.25 117.51 120.57 1iat h ILE 502 Ca 0.29 -0.99 -0.00 0.00 -0.39 0.00 0.00 64.86 63.77 1iat h ILE 502 Cb 0.01 0.92 -0.04 0.00 -3.07 0.00 0.00 36.82 34.63 1iat h ILE 502 CO -0.05 0.35 0.53 0.40 -0.69 0.00 0.00 178.15 178.70 1iat h ILE 503 N 0.72 1.24 0.00 -0.67 2.04 -0.86 -1.87 117.51 118.11 1iat h ILE 503 Ca 0.15 -0.50 0.00 0.00 1.00 0.00 0.00 64.86 65.51 1iat h ILE 503 Cb 0.45 0.01 0.00 0.00 -0.74 0.00 0.00 36.82 36.53 1iat h ILE 503 CO 0.02 0.24 0.00 0.79 0.00 0.00 0.00 178.15 179.20 1iat n TRP 504 N -4.43 0.00 -2.03 1.37 8.01 -0.27 -4.51 117.44 115.58 1iat n TRP 504 Ca 0.09 0.00 -0.13 0.00 -1.31 0.00 0.00 57.50 56.15 1iat n TRP 504 Cb 0.05 -0.47 -0.02 0.00 -2.01 0.00 0.00 31.31 28.86 1iat n TRP 504 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 177.69 173.21 1iat n ASP 505 N -1.47 -4.18 -4.90 -0.99 2.03 -0.53 -4.72 116.55 101.79 1iat n ASP 505 Ca 0.07 0.07 -0.22 0.00 0.52 0.00 0.00 54.79 55.23 1iat n ASP 505 Cb 0.26 -3.23 -0.02 0.00 -0.72 0.00 0.00 41.12 37.41 1iat n ASP 505 CO 0.00 0.00 0.00 0.27 -1.92 0.00 0.00 177.20 175.55 1iat s ILE 506 N -2.60 2.40 -0.45 5.18 -4.36 -0.84 -1.00 121.20 119.53 1iat s ILE 506 Ca 0.00 -1.34 -0.17 0.00 -0.26 0.00 0.00 60.65 58.88 1iat s ILE 506 Cb 0.00 -2.74 0.04 0.00 1.25 0.00 0.00 42.46 41.01 1iat s ILE 506 CO 0.00 0.00 0.46 0.21 0.24 0.00 0.00 174.94 175.85 1iat s ASN 507 N -4.21 6.18 0.00 4.36 3.04 -1.26 -4.55 114.94 118.50 1iat s ASN 507 Ca 0.47 -0.92 0.24 0.00 0.04 0.00 0.00 52.86 52.68 1iat s ASN 507 Cb -0.03 -2.22 1.32 0.00 -1.54 0.00 0.00 41.25 38.77 1iat s ASN 507 CO 0.28 -0.67 1.78 -1.20 -3.04 0.00 0.00 177.10 174.25 1iat n SER 508 N 5.60 0.00 -0.06 -4.21 7.64 -1.26 -3.97 113.62 117.37 1iat n SER 508 Ca -0.09 -0.46 0.01 0.00 1.01 0.00 0.00 58.87 59.34 1iat n SER 508 Cb 0.46 -0.12 0.00 0.00 -1.01 0.00 0.00 64.21 63.55 1iat n SER 508 CO 0.00 0.00 0.00 0.49 -3.01 0.00 0.00 175.04 172.52 1iat n PHE 509 N -1.12 0.00 -3.52 1.43 3.01 -1.26 -4.37 117.46 111.63 1iat n PHE 509 Ca 0.15 0.00 -0.20 0.00 1.01 0.00 0.00 57.45 58.41 1iat n PHE 509 Cb 0.12 0.00 0.02 0.00 -0.01 0.00 0.00 39.48 39.62 1iat n PHE 509 CO 0.00 0.00 0.00 -0.40 1.01 0.00 0.00 176.76 177.37 1iat n ASP 510 N -0.15 2.21 -2.73 4.37 5.68 -1.25 -4.95 116.55 119.73 1iat n ASP 510 Ca 0.01 -2.48 -0.09 0.00 -0.50 0.00 0.00 54.79 51.73 1iat n ASP 510 Cb 0.04 -0.16 0.09 0.00 -1.14 0.00 0.00 41.12 39.96 1iat n ASP 510 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1iat n GLN 511 N -1.77 0.95 0.26 0.11 0.00 -1.26 -4.79 117.38 110.88 1iat n GLN 511 Ca 0.04 -1.84 0.17 0.00 0.00 0.00 0.00 57.00 55.38 1iat n GLN 511 Cb 0.52 -0.98 0.81 0.00 0.00 0.00 0.00 30.24 30.58 1iat n GLN 511 CO 0.00 0.00 0.00 -1.49 0.00 0.00 0.00 177.06 175.57 1iat h TRP 512 N 2.97 0.00 0.00 2.61 4.06 -1.98 -2.96 115.95 120.65 1iat h TRP 512 Ca -0.12 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.83 1iat h TRP 512 Cb 1.11 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 29.27 1iat h TRP 512 CO 0.28 0.00 0.00 0.41 -3.56 0.00 0.00 178.44 175.57 1iat n GLY 513 N -0.48 -0.94 0.15 1.49 0.00 -1.26 -2.26 105.19 101.89 1iat n GLY 513 Ca -0.00 -0.07 0.12 0.00 0.00 0.00 0.00 46.02 46.07 1iat n GLY 513 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1iat n VAL 514 N -1.39 0.00 -0.08 1.61 0.24 -1.12 -4.49 118.33 113.10 1iat n VAL 514 Ca 0.06 -0.08 -0.12 0.00 -2.04 0.00 0.00 64.34 62.16 1iat n VAL 514 Cb 0.16 0.53 -0.05 0.00 -1.47 0.00 0.00 33.84 33.01 1iat n VAL 514 CO 0.00 0.00 0.00 -0.08 -2.14 0.00 0.00 176.83 174.61 1iat h GLU 515 N 0.72 0.52 -0.42 7.34 4.81 -1.68 -3.14 114.58 122.73 1iat h GLU 515 Ca 0.00 -0.24 0.01 0.00 -0.13 0.00 0.00 59.36 59.00 1iat h GLU 515 Cb 0.53 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.88 1iat h GLU 515 CO 0.00 0.80 0.27 1.25 -0.73 0.00 0.00 179.01 180.60 1iat h LEU 516 N 0.23 0.46 -1.12 1.64 5.85 -1.79 -0.77 115.31 119.82 1iat h LEU 516 Ca 0.05 -0.01 -0.05 0.00 0.84 0.00 0.00 57.88 58.71 1iat h LEU 516 Cb 0.66 -0.11 -0.02 0.00 0.37 0.00 0.00 40.66 41.55 1iat h LEU 516 CO 0.04 0.33 0.06 1.23 -0.34 0.00 0.00 178.44 179.77 1iat h GLY 517 N 0.55 0.74 0.97 3.75 0.00 -1.85 -0.35 103.07 106.88 1iat h GLY 517 Ca 0.16 -0.43 -0.04 0.00 0.00 0.00 0.00 47.33 47.01 1iat h GLY 517 CO -0.04 0.40 0.13 0.50 0.00 0.00 0.00 176.54 177.53 1iat h LYS 518 N 0.66 0.77 -0.28 4.80 1.57 -1.34 -1.51 116.57 121.24 1iat h LYS 518 Ca 0.14 -0.18 0.01 0.00 -1.87 0.00 0.00 60.65 58.75 1iat h LYS 518 Cb 0.32 -0.10 -0.02 0.00 0.08 0.00 0.00 32.23 32.51 1iat h LYS 518 CO 0.00 0.74 0.18 1.96 -0.57 0.00 0.00 179.45 181.76 1iat h GLN 519 N 0.66 0.35 -0.09 3.15 4.20 -0.61 -2.39 115.11 120.39 1iat h GLN 519 Ca 0.15 -0.02 -0.12 0.00 0.06 0.00 0.00 58.65 58.72 1iat h GLN 519 Cb 0.31 -0.08 -0.01 0.00 0.30 0.00 0.00 27.48 28.00 1iat h GLN 519 CO -0.00 0.23 -0.48 -0.07 -0.67 0.00 0.00 178.83 177.84 1iat h LEU 520 N 0.36 0.24 -0.84 1.46 3.38 -0.99 -2.72 115.31 116.19 1iat h LEU 520 Ca 0.10 -0.11 -0.09 0.00 0.09 0.00 0.00 57.88 57.87 1iat h LEU 520 Cb -0.03 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 40.64 1iat h LEU 520 CO -0.03 0.68 -0.14 0.00 0.09 0.00 0.00 178.44 179.04 1iat h ALA 521 N 1.32 1.02 -0.51 1.53 0.00 -1.12 -2.11 119.26 119.40 1iat h ALA 521 Ca 0.01 -0.32 -0.03 0.00 0.00 0.00 0.00 54.91 54.57 1iat h ALA 521 Cb 0.92 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.53 1iat h ALA 521 CO 0.07 0.59 0.20 0.87 0.00 0.00 0.00 179.25 180.98 1iat h LYS 522 N 0.64 0.73 -0.26 0.00 1.79 -1.12 -0.99 116.57 117.36 1iat h LYS 522 Ca 0.11 -0.11 -0.15 0.00 -2.18 0.00 0.00 60.65 58.32 1iat h LYS 522 Cb 0.61 -0.13 -0.01 0.00 -1.58 0.00 0.00 32.23 31.12 1iat h LYS 522 CO 0.04 0.61 -0.45 0.87 -1.08 0.00 0.00 179.45 179.43 1iat h LYS 523 N 0.72 0.68 0.02 3.15 1.79 -1.28 -3.29 116.57 118.35 1iat h LYS 523 Ca 0.17 -0.38 -0.20 0.00 -2.18 0.00 0.00 60.65 58.06 1iat h LYS 523 Cb 0.16 0.02 -0.01 0.00 -1.58 0.00 0.00 32.23 30.81 1iat h LYS 523 CO -0.02 0.99 -0.92 0.82 -1.08 0.00 0.00 179.45 179.24 1iat h ILE 524 N 0.54 1.54 -0.41 1.86 2.04 -0.96 -3.37 117.51 118.74 1iat h ILE 524 Ca 0.03 -2.80 0.07 0.00 1.00 0.00 0.00 64.86 63.16 1iat h ILE 524 Cb 1.00 2.57 -0.09 0.00 -0.74 0.00 0.00 36.82 39.56 1iat h ILE 524 CO 0.09 0.81 -0.42 -0.08 0.00 0.00 0.00 178.15 178.56 1iat h GLU 525 N 0.07 -0.30 0.00 2.37 4.81 -1.26 -0.19 114.58 120.08 1iat h GLU 525 Ca -0.04 0.02 -0.03 0.00 -0.13 0.00 0.00 59.36 59.18 1iat h GLU 525 Cb 1.58 0.07 -0.00 0.00 0.63 0.00 0.00 28.75 31.03 1iat h GLU 525 CO 0.14 -0.20 -0.13 -1.00 -0.73 0.00 0.00 179.01 177.08 1iat h PRO 526 N -0.32 0.00 0.00 0.92 0.13 -1.76 -2.32 132.00 128.65 1iat h PRO 526 Ca 0.14 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.27 1iat h PRO 526 Cb 0.58 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.71 1iat h PRO 526 CO -0.57 0.13 0.00 0.93 -0.23 0.00 0.00 178.00 178.26 1iat h GLU 527 N 0.00 0.00 0.00 0.86 5.08 -1.20 -2.51 114.58 116.81 1iat h GLU 527 Ca -0.00 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.34 1iat h GLU 527 Cb 0.31 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.56 1iat h GLU 527 CO 0.02 0.00 -0.07 -0.07 -1.00 0.00 0.00 179.01 177.89 1iat h LEU 528 N 0.00 0.00 -9.96 1.33 3.38 -1.20 -3.45 115.31 105.41 1iat h LEU 528 Ca 0.00 0.00 -0.50 0.00 0.09 0.00 0.00 57.88 57.47 1iat h LEU 528 Cb 0.42 0.00 0.05 0.00 0.09 0.00 0.00 40.66 41.22 1iat h LEU 528 CO 0.00 0.07 0.49 -1.81 0.09 0.00 0.00 178.44 177.28 1iat s ASP 529 N -6.21 6.47 0.00 -0.43 1.01 -0.95 -4.89 116.67 111.66 1iat s ASP 529 Ca 0.06 2.31 0.00 0.00 0.71 0.00 0.00 52.55 55.63 1iat s ASP 529 Cb 0.06 -2.61 0.00 0.00 1.01 0.00 0.00 42.92 41.38 1iat s ASP 529 CO 0.67 -0.71 0.00 0.61 0.21 0.00 0.00 175.17 175.95 1iat n GLY 530 N 0.57 -1.60 0.15 0.21 0.00 -1.26 -4.69 105.19 98.57 1iat n GLY 530 Ca 0.05 -1.55 0.12 0.00 0.00 0.00 0.00 46.02 44.63 1iat n GLY 530 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1iat n SER 531 N -2.15 0.97 -4.77 1.61 3.41 -1.26 -4.96 113.62 106.48 1iat n SER 531 Ca 0.00 -0.77 -0.41 0.00 -0.26 0.00 0.00 58.87 57.43 1iat n SER 531 Cb 0.00 0.38 -0.02 0.00 -0.26 0.00 0.00 64.21 64.31 1iat n SER 531 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1iat s ALA 532 N -2.76 3.53 0.38 7.33 0.00 -1.26 -4.97 121.76 124.00 1iat s ALA 532 Ca 0.16 1.33 -0.27 0.00 0.00 0.00 0.00 51.96 53.18 1iat s ALA 532 Cb 0.18 -3.51 -0.09 0.00 0.00 0.00 0.00 23.12 19.70 1iat s ALA 532 CO 0.65 -0.73 1.27 -0.65 0.00 0.00 0.00 175.76 176.30 1iat s GLN 533 N -1.64 4.09 -0.13 0.00 -0.21 -1.26 -5.02 119.66 115.49 1iat s GLN 533 Ca 0.51 2.10 -0.05 0.00 0.02 0.00 0.00 55.36 57.93 1iat s GLN 533 Cb -0.41 -2.82 -0.04 0.00 1.00 0.00 0.00 33.01 30.74 1iat s GLN 533 CO 0.53 -0.37 0.06 0.08 -2.12 0.00 0.00 175.29 173.47 1iat s VAL 534 N -1.26 4.80 0.00 1.09 1.01 -1.26 -4.97 120.40 119.81 1iat s VAL 534 Ca 0.55 -0.05 0.00 0.00 0.00 0.00 0.00 61.98 62.48 1iat s VAL 534 Cb -0.37 -3.10 0.00 0.00 0.00 0.00 0.00 36.38 32.91 1iat s VAL 534 CO 0.48 0.55 0.63 0.35 0.00 0.00 0.00 175.10 177.11 1iat n THR 535 N 2.68 0.35 0.97 3.92 -2.24 -1.26 -4.76 114.28 113.94 1iat n THR 535 Ca -0.18 -0.37 0.14 0.00 -2.27 0.00 0.00 64.05 61.37 1iat n THR 535 Cb 0.53 0.90 0.58 0.00 -2.10 0.00 0.00 70.33 70.25 1iat n THR 535 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1iat n SER 536 N -0.17 0.08 -1.63 3.42 3.41 -1.26 -4.88 113.62 112.59 1iat n SER 536 Ca 0.00 0.46 0.00 0.00 -0.26 0.00 0.00 58.87 59.07 1iat n SER 536 Cb 0.37 -0.48 0.00 0.00 -0.26 0.00 0.00 64.21 63.84 1iat n SER 536 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 1iat n HIS 537 N -1.55 -0.46 -0.79 7.33 8.25 -1.26 -5.11 115.22 121.63 1iat n HIS 537 Ca 0.07 0.00 -0.30 0.00 -0.26 0.00 0.00 57.72 57.23 1iat n HIS 537 Cb 0.35 0.00 0.17 0.00 1.12 0.00 0.00 29.99 31.63 1iat n HIS 537 CO 0.00 0.00 0.00 0.16 0.64 0.00 0.00 176.34 177.14 1iat s ASP 538 N -0.70 2.77 0.46 0.41 1.47 -1.26 -4.72 116.67 115.09 1iat s ASP 538 Ca 0.00 1.92 0.13 0.00 1.18 0.00 0.00 52.55 55.78 1iat s ASP 538 Cb 0.00 -2.46 1.05 0.00 -0.34 0.00 0.00 42.92 41.16 1iat s ASP 538 CO 0.00 -3.15 2.06 0.00 0.68 0.00 0.00 175.17 174.76 1iat h ALA 539 N -1.90 1.80 0.11 2.11 0.00 -1.98 -1.13 119.26 118.26 1iat h ALA 539 Ca -0.48 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.35 1iat h ALA 539 Cb 1.28 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.01 1iat h ALA 539 CO 0.46 0.16 -0.05 1.03 0.00 0.00 0.00 179.25 180.85 1iat h SER 540 N 0.16 -0.13 -0.74 0.00 0.87 -1.98 0.35 113.55 112.08 1iat h SER 540 Ca 0.04 -0.41 0.07 0.00 -1.23 0.00 0.00 61.79 60.26 1iat h SER 540 Cb 0.11 0.03 -0.06 0.00 -0.44 0.00 0.00 62.40 62.04 1iat h SER 540 CO 0.00 0.39 0.42 0.74 -0.53 0.00 0.00 176.83 177.84 1iat h THR 541 N -0.69 0.95 -0.26 2.23 2.02 -1.89 0.88 112.91 116.16 1iat h THR 541 Ca -0.02 -0.26 -0.00 0.00 0.77 0.00 0.00 66.41 66.91 1iat h THR 541 Cb 0.53 0.14 -0.01 0.00 -1.74 0.00 0.00 68.15 67.07 1iat h THR 541 CO 0.03 0.14 0.15 0.78 0.37 0.00 0.00 175.52 176.98 1iat h ASN 542 N 0.75 0.31 -0.90 4.18 2.35 -1.21 -1.62 115.58 119.44 1iat h ASN 542 Ca 0.34 -0.07 -0.01 0.00 -0.55 0.00 0.00 56.30 56.02 1iat h ASN 542 Cb 0.24 -0.08 -0.04 0.00 0.05 0.00 0.00 38.32 38.49 1iat h ASN 542 CO -0.20 0.29 0.54 1.23 -1.65 0.00 0.00 177.43 177.64 1iat h GLY 543 N 0.31 1.31 0.90 2.83 0.00 -0.02 -0.49 103.07 107.91 1iat h GLY 543 Ca 0.09 -0.55 -0.05 0.00 0.00 0.00 0.00 47.33 46.82 1iat h GLY 543 CO -0.02 0.53 0.01 1.41 0.00 0.00 0.00 176.54 178.47 1iat h LEU 544 N 1.24 0.55 -0.57 3.11 3.38 -0.75 -0.94 115.31 121.34 1iat h LEU 544 Ca 0.32 -0.30 -0.00 0.00 0.09 0.00 0.00 57.88 57.99 1iat h LEU 544 Cb -0.05 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 40.53 1iat h LEU 544 CO -0.06 0.71 0.35 0.40 0.09 0.00 0.00 178.44 179.93 1iat h ILE 545 N 0.36 1.17 -0.31 1.22 2.04 -0.96 -0.71 117.51 120.32 1iat h ILE 545 Ca 0.09 -0.36 -0.08 0.00 1.00 0.00 0.00 64.86 65.51 1iat h ILE 545 Cb 0.43 0.39 -0.02 0.00 -0.74 0.00 0.00 36.82 36.88 1iat h ILE 545 CO 0.01 0.17 -0.14 0.78 0.00 0.00 0.00 178.15 178.97 1iat h ASN 546 N 0.76 0.52 -0.46 1.72 2.35 -0.89 -0.10 115.58 119.49 1iat h ASN 546 Ca 0.20 -0.15 -0.05 0.00 -0.55 0.00 0.00 56.30 55.76 1iat h ASN 546 Cb -0.03 -0.14 -0.02 0.00 0.05 0.00 0.00 38.32 38.18 1iat h ASN 546 CO -0.04 0.70 0.11 0.15 -1.65 0.00 0.00 177.43 176.69 1iat h PHE 547 N 0.49 0.77 -0.44 1.19 3.57 -0.84 -0.79 116.94 120.90 1iat h PHE 547 Ca 0.09 -0.09 0.04 0.00 3.53 0.00 0.00 57.97 61.54 1iat h PHE 547 Cb 0.54 -0.22 -0.04 0.00 2.79 0.00 0.00 35.95 39.02 1iat h PHE 547 CO 0.02 0.71 0.19 0.82 -2.23 0.00 0.00 178.31 177.82 1iat h ILE 548 N 0.61 0.92 -0.61 1.41 2.04 -0.65 -0.58 117.51 120.66 1iat h ILE 548 Ca 0.14 -0.13 -0.07 0.00 1.00 0.00 0.00 64.86 65.80 1iat h ILE 548 Cb 0.33 0.50 -0.03 0.00 -0.74 0.00 0.00 36.82 36.89 1iat h ILE 548 CO 0.00 0.07 0.11 0.11 0.00 0.00 0.00 178.15 178.45 1iat h LYS 549 N 0.39 0.98 -0.62 2.37 1.57 -0.83 -1.72 116.57 118.71 1iat h LYS 549 Ca 0.20 -0.24 -0.04 0.00 -1.87 0.00 0.00 60.65 58.70 1iat h LYS 549 Cb 0.14 -0.13 -0.03 0.00 0.08 0.00 0.00 32.23 32.29 1iat h LYS 549 CO -0.16 0.89 0.21 0.37 -0.57 0.00 0.00 179.45 180.19 1iat h GLN 550 N 0.93 0.93 0.00 3.15 4.15 -0.68 -3.15 115.11 120.44 1iat h GLN 550 Ca 0.19 -0.17 0.00 0.00 0.77 0.00 0.00 58.65 59.44 1iat h GLN 550 Cb 0.38 -0.15 0.00 0.00 0.21 0.00 0.00 27.48 27.92 1iat h GLN 550 CO 0.01 0.78 -0.49 1.04 -1.93 0.00 0.00 178.83 178.24 1iat n GLN 551 N -4.29 0.08 0.19 1.69 1.13 -0.27 -3.95 117.38 111.97 1iat n GLN 551 Ca 0.05 0.02 0.13 0.00 -1.94 0.00 0.00 57.00 55.26 1iat n GLN 551 Cb 0.19 -1.55 0.70 0.00 0.11 0.00 0.00 30.24 29.70 1iat n GLN 551 CO 0.00 0.00 0.00 -0.09 -1.44 0.00 0.00 177.06 175.53 1iat h ARG 552 N 0.00 0.00 0.00 -1.09 2.43 -1.27 -2.17 114.38 112.28 1iat h ARG 552 Ca 0.00 0.00 -0.26 0.00 -0.81 0.00 0.00 59.98 58.91 1iat h ARG 552 Cb 0.57 0.00 -0.04 0.00 -0.42 0.00 0.00 29.97 30.07 1iat h ARG 552 CO 0.00 0.00 -1.48 0.93 -1.51 0.00 0.00 179.97 177.91 1iat h GLU 553 N 0.00 0.00 -6.70 0.20 5.08 -1.77 -3.49 114.58 107.91 1iat h GLU 553 Ca 0.07 0.00 -0.58 0.00 -1.00 0.00 0.00 59.36 57.85 1iat h GLU 553 Cb 0.30 0.00 0.12 0.00 0.50 0.00 0.00 28.75 29.67 1iat h GLU 553 CO -0.00 0.63 0.33 0.00 -1.00 0.00 0.00 179.01 178.96 1iat n ALA 554 N -2.49 0.69 -3.72 3.43 0.00 -0.82 -4.96 120.51 112.64 1iat n ALA 554 Ca -0.12 0.29 -0.36 0.00 0.00 0.00 0.00 53.44 53.26 1iat n ALA 554 Cb 1.01 -2.16 -0.12 0.00 0.00 0.00 0.00 19.45 18.17 1iat n ALA 554 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1iat s ARG 555 N -1.98 2.13 0.00 0.00 1.81 -1.26 -5.10 118.95 114.55 1iat s ARG 555 Ca 0.60 -1.64 0.00 0.00 -1.72 0.00 0.00 55.73 52.98 1iat s ARG 555 Cb -0.57 -3.45 0.00 0.00 -0.45 0.00 0.00 34.95 30.48 1iat s ARG 555 CO 0.59 -0.92 0.38 1.33 -0.68 0.00 0.00 175.30 176.00