#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1iri s ALA 2 N 0.00 4.17 0.17 3.04 0.00 -1.26 -4.97 121.76 122.91 1iri s ALA 2 Ca 0.00 -1.68 -0.19 0.00 0.00 0.00 0.00 51.96 50.09 1iri s ALA 2 Cb 0.00 -1.82 0.09 0.00 0.00 0.00 0.00 23.12 21.39 1iri s ALA 2 CO 0.00 -0.84 1.64 0.00 0.00 0.00 0.00 175.76 176.56 1iri h ALA 3 N 0.08 0.09 -0.40 0.00 0.00 -1.96 -2.17 119.26 114.90 1iri h ALA 3 Ca -0.37 0.14 0.03 0.00 0.00 0.00 0.00 54.91 54.70 1iri h ALA 3 Cb 1.28 0.47 -0.03 0.00 0.00 0.00 0.00 17.79 19.51 1iri h ALA 3 CO 0.45 -0.56 0.21 1.25 0.00 0.00 0.00 179.25 180.60 1iri h LEU 4 N -0.13 0.32 -1.55 0.00 5.85 -1.87 -1.30 115.31 116.64 1iri h LEU 4 Ca 0.19 0.01 -0.05 0.00 0.84 0.00 0.00 57.88 58.88 1iri h LEU 4 Cb 0.42 -0.05 -0.01 0.00 0.37 0.00 0.00 40.66 41.40 1iri h LEU 4 CO -0.47 0.23 -0.24 0.71 -0.34 0.00 0.00 178.44 178.33 1iri h THR 5 N 0.43 1.04 0.03 1.05 1.35 -1.82 -2.47 112.91 112.52 1iri h THR 5 Ca 0.17 -0.85 -0.23 0.00 -0.55 0.00 0.00 66.41 64.94 1iri h THR 5 Cb 0.05 1.48 -0.03 0.00 -1.73 0.00 0.00 68.15 67.92 1iri h THR 5 CO -0.10 0.23 -1.14 0.03 -0.25 0.00 0.00 175.52 174.29 1iri h ARG 6 N 0.00 0.06 -6.16 4.72 3.08 -1.18 -3.44 114.38 111.45 1iri h ARG 6 Ca -0.00 -0.10 -0.73 0.00 0.07 0.00 0.00 59.98 59.22 1iri h ARG 6 Cb 0.46 0.04 0.02 0.00 0.08 0.00 0.00 29.97 30.56 1iri h ARG 6 CO 0.03 0.99 0.86 -3.47 -1.07 0.00 0.00 179.97 177.32 1iri n ASP 7 N -3.35 2.35 -0.22 7.04 -0.08 -0.51 -4.84 116.55 116.94 1iri n ASP 7 Ca -0.04 1.08 0.03 0.00 -1.51 0.00 0.00 54.79 54.34 1iri n ASP 7 Cb 0.97 -1.15 0.14 0.00 2.34 0.00 0.00 41.12 43.41 1iri n ASP 7 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 1iri h PRO 8 N 7.01 0.22 -0.76 -0.67 0.11 -1.90 -1.82 132.00 134.19 1iri h PRO 8 Ca -0.47 -0.01 -0.02 0.00 0.11 0.00 0.00 66.00 65.62 1iri h PRO 8 Cb 1.32 -0.05 -0.04 0.00 0.11 0.00 0.00 31.00 32.34 1iri h PRO 8 CO 0.94 0.14 0.42 1.96 -0.21 0.00 0.00 178.00 181.25 1iri h GLN 9 N 0.23 1.07 -0.27 1.05 1.08 -1.93 -0.77 115.11 115.56 1iri h GLN 9 Ca 0.36 -0.13 -0.00 0.00 -1.45 0.00 0.00 58.65 57.43 1iri h GLN 9 Cb 0.58 -0.21 -0.01 0.00 -0.05 0.00 0.00 27.48 27.79 1iri h GLN 9 CO -0.48 0.79 0.16 0.35 -0.95 0.00 0.00 178.83 178.70 1iri h PHE 10 N 1.06 0.37 -0.91 2.96 3.57 -1.68 0.23 116.94 122.54 1iri h PHE 10 Ca 0.27 -0.01 0.04 0.00 3.53 0.00 0.00 57.97 61.80 1iri h PHE 10 Cb 0.04 -0.12 -0.06 0.00 2.79 0.00 0.00 35.95 38.60 1iri h PHE 10 CO 0.00 0.29 0.59 1.96 -2.23 0.00 0.00 178.31 178.92 1iri h GLN 11 N 0.34 1.09 -0.61 1.11 4.20 -0.91 0.24 115.11 120.56 1iri h GLN 11 Ca 0.10 -0.07 -0.04 0.00 0.06 0.00 0.00 58.65 58.71 1iri h GLN 11 Cb 0.04 -0.25 -0.03 0.00 0.30 0.00 0.00 27.48 27.55 1iri h GLN 11 CO -0.02 0.72 0.24 -0.22 -0.67 0.00 0.00 178.83 178.88 1iri h LYS 12 N 1.13 0.91 -0.01 1.46 3.64 -0.78 -0.45 116.57 122.46 1iri h LYS 12 Ca 0.37 -0.17 0.02 0.00 -1.27 0.00 0.00 60.65 59.61 1iri h LYS 12 Cb 0.04 -0.15 -0.03 0.00 -0.41 0.00 0.00 32.23 31.69 1iri h LYS 12 CO -0.13 0.78 -0.13 1.25 -2.27 0.00 0.00 179.45 178.95 1iri h LEU 13 N 0.85 -0.38 0.01 5.20 6.46 0.90 -0.31 115.31 128.04 1iri h LEU 13 Ca 0.20 0.06 0.00 0.00 -0.12 0.00 0.00 57.88 58.02 1iri h LEU 13 Cb 0.21 0.17 -0.00 0.00 -0.73 0.00 0.00 40.66 40.30 1iri h LEU 13 CO -0.02 -0.18 -0.02 1.56 -0.62 0.00 0.00 178.44 179.16 1iri h GLN 14 N -0.21 -0.04 -0.53 1.25 4.20 -0.39 -0.72 115.11 118.66 1iri h GLN 14 Ca 0.05 0.00 0.11 0.00 0.06 0.00 0.00 58.65 58.87 1iri h GLN 14 Cb 0.28 0.01 -0.10 0.00 0.30 0.00 0.00 27.48 27.97 1iri h GLN 14 CO -0.14 -0.03 -0.07 0.37 -0.67 0.00 0.00 178.83 178.29 1iri h GLN 15 N -0.04 0.05 -0.28 1.46 4.15 -0.97 0.04 115.11 119.51 1iri h GLN 15 Ca 0.01 -0.00 0.05 0.00 0.77 0.00 0.00 58.65 59.47 1iri h GLN 15 Cb 0.05 -0.01 -0.05 0.00 0.21 0.00 0.00 27.48 27.68 1iri h GLN 15 CO -0.02 0.03 -0.02 2.35 -1.93 0.00 0.00 178.83 179.25 1iri h TRP 16 N 0.05 -0.05 -0.37 3.99 7.01 -0.13 -1.49 115.95 124.97 1iri h TRP 16 Ca 0.26 0.02 0.08 0.00 2.11 0.00 0.00 58.89 61.36 1iri h TRP 16 Cb 0.41 0.06 -0.08 0.00 -2.10 0.00 0.00 29.16 27.45 1iri h TRP 16 CO -0.39 -0.06 -0.21 -0.92 -2.79 0.00 0.00 178.44 174.07 1iri h TYR 17 N 0.06 -0.53 -0.84 2.65 3.20 -0.03 -1.05 116.97 120.44 1iri h TYR 17 Ca 0.13 0.04 0.03 0.00 3.14 0.00 0.00 58.73 62.07 1iri h TYR 17 Cb 0.18 0.29 -0.05 0.00 1.54 0.00 0.00 36.73 38.70 1iri h TYR 17 CO -0.23 -0.29 0.55 0.00 -1.64 0.00 0.00 178.16 176.56 1iri h ARG 18 N -0.15 1.04 0.00 1.82 3.08 -0.47 -0.96 114.38 118.74 1iri h ARG 18 Ca 0.18 -0.06 0.00 0.00 0.07 0.00 0.00 59.98 60.17 1iri h ARG 18 Cb 0.43 -0.24 0.00 0.00 0.08 0.00 0.00 29.97 30.25 1iri h ARG 18 CO -0.46 0.69 -0.60 0.93 -1.07 0.00 0.00 179.97 179.46 1iri h GLU 19 N 1.08 0.00 0.00 0.04 5.08 -0.57 -3.41 114.58 116.80 1iri h GLU 19 Ca 0.32 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.68 1iri h GLU 19 Cb -0.03 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.22 1iri h GLU 19 CO -0.09 0.00 0.00 0.72 -1.00 0.00 0.00 179.01 178.64 1iri n HIS 20 N -2.80 0.00 -0.14 4.33 8.25 -0.47 -4.83 115.22 119.56 1iri n HIS 20 Ca 0.02 0.00 0.03 0.00 -0.26 0.00 0.00 57.72 57.50 1iri n HIS 20 Cb 0.54 0.00 0.06 0.00 1.12 0.00 0.00 29.99 31.71 1iri n HIS 20 CO 0.00 0.00 0.00 -2.13 0.64 0.00 0.00 176.34 174.85 1iri n ARG 21 N -0.26 -0.04 0.34 -0.41 0.00 -0.37 0.56 116.66 116.48 1iri n ARG 21 Ca 0.00 0.63 0.22 0.00 -0.00 0.00 0.00 57.85 58.69 1iri n ARG 21 Cb 0.06 -0.94 1.17 0.00 0.00 0.00 0.00 32.46 32.75 1iri n ARG 21 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.63 178.40 1iri h SER 22 N 0.00 0.00 -0.44 6.15 0.02 -1.88 -1.16 113.55 116.24 1iri h SER 22 Ca 0.20 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.15 1iri h SER 22 Cb 0.31 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.85 1iri h SER 22 CO -0.41 0.00 0.00 -1.84 -1.14 0.00 0.00 176.83 173.44 1iri n GLU 23 N -3.07 2.18 -2.93 3.45 0.28 0.19 -4.63 120.64 116.10 1iri n GLU 23 Ca -0.03 -1.81 -0.44 0.00 -0.16 0.00 0.00 57.16 54.72 1iri n GLU 23 Cb 0.11 -1.42 0.00 0.00 1.43 0.00 0.00 31.44 31.56 1iri n GLU 23 CO 0.00 0.00 0.00 1.28 -0.16 0.00 0.00 177.13 178.25 1iri n LEU 24 N 0.98 5.75 -3.93 -1.84 4.77 -0.44 -4.91 117.00 117.38 1iri n LEU 24 Ca 0.18 -4.75 -0.30 0.00 -0.03 0.00 0.00 56.01 51.11 1iri n LEU 24 Cb 0.45 -1.51 -0.16 0.00 -2.33 0.00 0.00 43.42 39.87 1iri n LEU 24 CO 0.13 1.15 -0.43 0.21 -1.33 0.00 0.00 177.39 177.12 1iri s ASN 25 N 1.42 3.68 0.25 -1.43 3.84 -1.26 -4.99 114.94 116.45 1iri s ASN 25 Ca 0.38 -1.09 -0.04 0.00 0.21 0.00 0.00 52.86 52.32 1iri s ASN 25 Cb -0.01 -1.14 0.38 0.00 -0.55 0.00 0.00 41.25 39.92 1iri s ASN 25 CO -0.00 -0.22 1.84 -0.07 -2.79 0.00 0.00 177.10 175.85 1iri h LEU 26 N 7.98 0.82 -1.61 3.21 3.38 -1.91 0.02 115.31 127.20 1iri h LEU 26 Ca -0.20 0.03 0.15 0.00 0.09 0.00 0.00 57.88 57.95 1iri h LEU 26 Cb 1.08 -0.14 -0.05 0.00 0.09 0.00 0.00 40.66 41.64 1iri h LEU 26 CO 0.42 0.50 0.49 0.03 0.09 0.00 0.00 178.44 179.97 1iri h ARG 27 N 0.94 0.38 0.15 1.13 3.08 -1.94 -1.91 114.38 116.21 1iri h ARG 27 Ca 0.40 -0.02 -0.28 0.00 0.07 0.00 0.00 59.98 60.15 1iri h ARG 27 Cb 0.25 -0.09 0.01 0.00 0.08 0.00 0.00 29.97 30.23 1iri h ARG 27 CO -0.20 0.25 -1.36 -0.09 -1.07 0.00 0.00 179.97 177.50 1iri h ARG 28 N 0.39 0.33 0.00 0.04 2.43 -1.47 -2.77 114.38 113.33 1iri h ARG 28 Ca 0.36 -0.56 -0.04 0.00 -0.81 0.00 0.00 59.98 58.93 1iri h ARG 28 Cb 0.84 0.21 -0.01 0.00 -0.42 0.00 0.00 29.97 30.59 1iri h ARG 28 CO -0.11 1.27 -0.19 -0.07 -1.51 0.00 0.00 179.97 179.36 1iri h LEU 29 N -0.18 0.00 0.14 3.80 3.38 -0.86 -1.11 115.31 120.48 1iri h LEU 29 Ca -0.27 0.00 -0.25 0.00 0.09 0.00 0.00 57.88 57.45 1iri h LEU 29 Cb 1.86 0.00 0.03 0.00 0.09 0.00 0.00 40.66 42.63 1iri h LEU 29 CO 0.13 0.19 -1.05 -0.26 0.09 0.00 0.00 178.44 177.54 1iri h PHE 30 N 0.00 0.78 -0.03 1.13 -1.00 -1.45 -2.93 116.94 113.43 1iri h PHE 30 Ca -0.00 -0.53 -0.04 0.00 2.81 0.00 0.00 57.97 60.21 1iri h PHE 30 Cb 0.33 -0.05 -0.01 0.00 3.61 0.00 0.00 35.95 39.83 1iri h PHE 30 CO 0.00 1.39 -0.19 -0.44 -1.61 0.00 0.00 178.31 177.46 1iri h ASP 31 N -0.05 0.05 1.67 2.17 3.45 -1.19 -2.36 116.42 120.16 1iri h ASP 31 Ca -0.17 -0.01 -0.07 0.00 0.43 0.00 0.00 57.03 57.21 1iri h ASP 31 Cb 1.79 -0.01 -0.01 0.00 -0.56 0.00 0.00 39.33 40.53 1iri h ASP 31 CO 0.20 0.24 -0.33 0.00 -1.57 0.00 0.00 179.24 177.78 1iri h ALA 32 N 1.76 0.79 -2.82 3.45 0.00 -1.26 -3.44 119.26 117.75 1iri h ALA 32 Ca 0.01 -0.30 -0.50 0.00 0.00 0.00 0.00 54.91 54.12 1iri h ALA 32 Cb 0.36 -0.05 -0.40 0.00 0.00 0.00 0.00 17.79 17.70 1iri h ALA 32 CO 0.03 0.41 -0.76 1.21 0.00 0.00 0.00 179.25 180.13 1iri s ASN 33 N -6.37 3.12 0.42 0.00 2.47 -0.89 -4.98 114.94 108.70 1iri s ASN 33 Ca 0.05 -1.08 0.29 0.00 0.42 0.00 0.00 52.86 52.54 1iri s ASN 33 Cb 0.07 -0.27 1.27 0.00 -1.45 0.00 0.00 41.25 40.87 1iri s ASN 33 CO 0.72 -0.41 1.87 0.11 -3.72 0.00 0.00 177.10 175.67 1iri h LYS 34 N 8.40 0.00 -0.10 0.43 1.57 -1.86 -2.25 116.57 122.77 1iri h LYS 34 Ca -0.18 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.60 1iri h LYS 34 Cb 1.05 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.36 1iri h LYS 34 CO 0.40 0.00 0.00 -0.25 -0.57 0.00 0.00 179.45 179.03 1iri n ASP 35 N -2.66 1.00 -0.32 0.86 8.00 -1.26 -4.36 116.55 117.81 1iri n ASP 35 Ca 0.01 -1.59 0.02 0.00 0.71 0.00 0.00 54.79 53.94 1iri n ASP 35 Cb 0.23 -0.06 0.20 0.00 -0.02 0.00 0.00 41.12 41.47 1iri n ASP 35 CO 0.00 0.00 0.00 -0.09 -0.39 0.00 0.00 177.20 176.72 1iri h ARG 36 N 1.34 1.10 -0.00 -1.24 2.43 -1.76 -1.68 114.38 114.57 1iri h ARG 36 Ca 0.00 -0.07 -0.00 0.00 -0.81 0.00 0.00 59.98 59.10 1iri h ARG 36 Cb 0.29 -0.25 -0.00 0.00 -0.42 0.00 0.00 29.97 29.59 1iri h ARG 36 CO 0.00 0.73 0.00 0.35 -1.51 0.00 0.00 179.97 179.54 1iri h PHE 37 N 1.14 0.01 -0.81 2.20 3.57 -1.84 -2.41 116.94 118.79 1iri h PHE 37 Ca 0.38 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.87 1iri h PHE 37 Cb 0.08 -0.00 -0.04 0.00 2.79 0.00 0.00 35.95 38.78 1iri h PHE 37 CO -0.00 0.03 0.46 -0.91 -2.23 0.00 0.00 178.31 175.66 1iri h ASN 38 N -0.02 0.99 1.49 0.41 2.35 -1.64 -3.01 115.58 116.14 1iri h ASN 38 Ca 0.00 -0.07 0.00 0.00 -0.55 0.00 0.00 56.30 55.68 1iri h ASN 38 Cb 0.03 -0.25 0.00 0.00 0.05 0.00 0.00 38.32 38.15 1iri h ASN 38 CO -0.00 0.78 -0.43 0.45 -1.65 0.00 0.00 177.43 176.58 1iri h HIS 39 N 1.12 0.00 -0.79 1.19 3.86 -1.30 -3.36 115.15 115.87 1iri h HIS 39 Ca 0.29 0.00 -0.54 0.00 -1.16 0.00 0.00 60.37 58.96 1iri h HIS 39 Cb -0.00 0.00 -0.43 0.00 1.06 0.00 0.00 27.41 28.04 1iri h HIS 39 CO 0.01 0.00 -0.83 1.19 0.86 0.00 0.00 177.93 179.16 1iri n PHE 40 N -2.79 2.73 -3.76 2.45 3.01 -0.91 -5.02 117.46 113.16 1iri n PHE 40 Ca 0.03 -2.28 -0.10 0.00 1.01 0.00 0.00 57.45 56.11 1iri n PHE 40 Cb 0.52 -0.32 -0.06 0.00 -0.01 0.00 0.00 39.48 39.61 1iri n PHE 40 CO 0.00 0.00 0.00 -1.54 1.01 0.00 0.00 176.76 176.23 1iri s SER 41 N -3.60 -0.04 -0.03 4.37 1.04 -1.16 -1.69 113.70 112.58 1iri s SER 41 Ca 0.50 -0.50 0.02 0.00 0.48 0.00 0.00 55.95 56.44 1iri s SER 41 Cb 0.41 0.40 0.01 0.00 0.10 0.00 0.00 66.02 66.94 1iri s SER 41 CO 0.02 -0.78 -0.07 -0.76 0.98 0.00 0.00 173.24 172.63 1iri s LEU 42 N -2.83 1.62 -0.23 2.42 1.43 0.89 -4.98 118.68 117.01 1iri s LEU 42 Ca 0.04 -0.16 0.02 0.00 -1.03 0.00 0.00 54.13 53.00 1iri s LEU 42 Cb 0.03 -0.50 0.04 0.00 0.03 0.00 0.00 46.19 45.80 1iri s LEU 42 CO -0.11 0.02 -0.14 0.42 0.23 0.00 0.00 176.35 176.76 1iri s THR 43 N 0.47 2.05 -0.11 5.49 -4.23 -1.26 -0.42 115.64 117.63 1iri s THR 43 Ca -0.07 -1.32 -0.08 0.00 -1.18 0.00 0.00 61.69 59.04 1iri s THR 43 Cb -0.11 -2.06 -0.04 0.00 1.34 0.00 0.00 72.50 71.63 1iri s THR 43 CO 0.01 0.18 0.16 -0.76 -0.54 0.00 0.00 174.62 173.67 1iri s LEU 44 N 1.21 4.40 -0.27 4.79 1.43 0.31 -4.97 118.68 125.58 1iri s LEU 44 Ca -0.03 0.51 -0.06 0.00 -1.03 0.00 0.00 54.13 53.51 1iri s LEU 44 Cb -0.17 -2.12 -0.00 0.00 0.03 0.00 0.00 46.19 43.92 1iri s LEU 44 CO -0.08 0.40 0.04 0.21 0.23 0.00 0.00 176.35 177.15 1iri s ASN 45 N -1.05 4.91 0.17 2.29 3.84 -1.26 -0.76 114.94 123.07 1iri s ASN 45 Ca 0.16 -0.54 0.24 0.00 0.21 0.00 0.00 52.86 52.92 1iri s ASN 45 Cb -0.12 -1.85 0.26 0.00 -0.55 0.00 0.00 41.25 38.99 1iri s ASN 45 CO 0.05 -0.12 1.28 0.71 -2.79 0.00 0.00 177.10 176.23 1iri h THR 46 N 5.78 0.00 0.00 -5.21 1.35 -1.74 -3.47 112.91 109.62 1iri h THR 46 Ca -0.35 -0.66 0.00 0.00 -0.55 0.00 0.00 66.41 64.85 1iri h THR 46 Cb 1.14 1.26 0.00 0.00 -1.73 0.00 0.00 68.15 68.83 1iri h THR 46 CO 0.60 0.00 0.00 0.59 -0.25 0.00 0.00 175.52 176.46 1iri n ASN 47 N -2.34 0.00 -0.67 5.36 3.02 -1.26 -4.79 115.26 114.58 1iri n ASN 47 Ca 0.02 0.00 0.06 0.00 -0.03 0.00 0.00 54.58 54.63 1iri n ASN 47 Cb 0.48 0.00 0.12 0.00 -0.61 0.00 0.00 39.78 39.76 1iri n ASN 47 CO 0.00 0.00 0.00 1.41 -2.62 0.00 0.00 177.26 176.05 1iri n HIS 48 N -2.00 0.00 0.00 3.10 8.25 -1.26 -5.08 115.22 118.23 1iri n HIS 48 Ca 0.00 -0.93 0.00 0.00 -0.26 0.00 0.00 57.72 56.53 1iri n HIS 48 Cb 0.00 -0.17 0.00 0.00 1.12 0.00 0.00 29.99 30.94 1iri n HIS 48 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1iri n GLY 49 N -0.66 3.83 3.92 -1.41 0.00 -1.26 -4.74 105.19 104.86 1iri n GLY 49 Ca 0.13 -1.69 -0.30 0.00 0.00 0.00 0.00 46.02 44.16 1iri n GLY 49 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1iri s HIS 50 N -2.38 3.50 -0.18 1.61 3.76 -1.26 -1.78 115.29 118.56 1iri s HIS 50 Ca 0.00 0.33 -0.01 0.00 -0.15 0.00 0.00 55.06 55.23 1iri s HIS 50 Cb 0.00 -1.83 0.05 0.00 1.11 0.00 0.00 32.58 31.91 1iri s HIS 50 CO 0.00 0.50 -0.04 0.42 -0.85 0.00 0.00 174.74 174.77 1iri s ILE 51 N -1.65 1.09 -0.27 0.60 1.01 0.06 -1.63 121.20 120.42 1iri s ILE 51 Ca 0.37 -0.71 -0.10 0.00 0.00 0.00 0.00 60.65 60.21 1iri s ILE 51 Cb -0.12 -1.33 -0.04 0.00 0.01 0.00 0.00 42.46 40.98 1iri s ILE 51 CO 0.27 0.04 0.15 -0.22 0.00 0.00 0.00 174.94 175.19 1iri s LEU 52 N 1.63 3.84 -0.42 2.97 2.96 0.49 -0.53 118.68 129.62 1iri s LEU 52 Ca -0.01 -0.06 -0.07 0.00 -0.22 0.00 0.00 54.13 53.78 1iri s LEU 52 Cb -0.16 -2.06 0.10 0.00 0.50 0.00 0.00 46.19 44.57 1iri s LEU 52 CO -0.07 -0.03 0.25 -0.69 -1.32 0.00 0.00 176.35 174.48 1iri s VAL 53 N 1.63 3.85 -0.45 1.68 1.01 0.43 -1.51 120.40 127.05 1iri s VAL 53 Ca 0.07 -1.69 -0.13 0.00 0.00 0.00 0.00 61.98 60.23 1iri s VAL 53 Cb -0.15 -3.47 0.08 0.00 0.00 0.00 0.00 36.38 32.83 1iri s VAL 53 CO 0.08 -0.60 0.34 -0.62 0.00 0.00 0.00 175.10 174.31 1iri s ASP 54 N 2.11 5.92 -0.20 3.32 2.15 -0.48 -0.08 116.67 129.40 1iri s ASP 54 Ca 0.05 -1.46 0.15 0.00 0.43 0.00 0.00 52.55 51.72 1iri s ASP 54 Cb -0.24 -2.10 0.71 0.00 -0.30 0.00 0.00 42.92 41.00 1iri s ASP 54 CO -0.01 -0.62 1.62 0.00 -0.17 0.00 0.00 175.17 176.00 1iri n TYR 55 N 5.07 1.62 0.22 -5.34 0.18 -0.68 -1.19 117.16 117.04 1iri n TYR 55 Ca -0.11 -0.77 0.10 0.00 1.88 0.00 0.00 57.90 59.00 1iri n TYR 55 Cb 0.43 -0.42 0.41 0.00 -0.38 0.00 0.00 39.34 39.38 1iri n TYR 55 CO 0.00 0.00 0.00 0.66 -2.08 0.00 0.00 176.86 175.44 1iri h SER 56 N 3.23 0.00 -0.32 9.48 4.64 -1.67 -2.95 113.55 125.96 1iri h SER 56 Ca 0.00 0.00 -0.15 0.00 -0.47 0.00 0.00 61.79 61.17 1iri h SER 56 Cb 1.74 0.00 -0.09 0.00 -0.31 0.00 0.00 62.40 63.74 1iri h SER 56 CO 0.37 0.21 0.19 0.29 -0.87 0.00 0.00 176.83 177.02 1iri n LYS 57 N -3.31 1.58 -3.52 4.77 5.02 -1.26 -4.87 118.16 116.57 1iri n LYS 57 Ca 0.01 -1.04 -0.22 0.00 -2.02 0.00 0.00 58.31 55.04 1iri n LYS 57 Cb 0.46 -1.46 -0.01 0.00 -0.02 0.00 0.00 35.03 34.00 1iri n LYS 57 CO 0.00 0.00 0.00 -0.80 -0.52 0.00 0.00 177.40 176.08 1iri s ASN 58 N 0.13 6.17 -1.30 4.39 -0.87 -1.12 -2.73 114.94 119.62 1iri s ASN 58 Ca 0.19 0.19 -0.09 0.00 -1.57 0.00 0.00 52.86 51.59 1iri s ASN 58 Cb 0.16 -1.76 0.15 0.00 -0.02 0.00 0.00 41.25 39.78 1iri s ASN 58 CO 0.04 -0.31 2.02 0.18 -2.57 0.00 0.00 177.10 176.46 1iri n LEU 59 N -1.69 7.02 -4.06 0.60 4.77 -1.26 -4.89 117.00 117.49 1iri n LEU 59 Ca -0.04 -4.68 -0.07 0.00 -0.03 0.00 0.00 56.01 51.18 1iri n LEU 59 Cb 0.57 -1.46 -0.10 0.00 -2.33 0.00 0.00 43.42 40.11 1iri n LEU 59 CO 0.46 1.54 -0.31 0.68 -1.33 0.00 0.00 177.39 178.43 1iri s VAL 60 N 0.15 0.20 0.36 4.08 -7.23 -1.26 -5.01 120.40 111.69 1iri s VAL 60 Ca 0.43 -1.72 0.03 0.00 -1.81 0.00 0.00 61.98 58.92 1iri s VAL 60 Cb 0.12 -1.53 -0.04 0.00 0.56 0.00 0.00 36.38 35.49 1iri s VAL 60 CO -0.02 -0.91 0.10 0.42 -0.31 0.00 0.00 175.10 174.38 1iri s THR 61 N -3.92 0.82 0.20 5.32 -4.23 -1.26 -5.00 115.64 107.57 1iri s THR 61 Ca 0.08 -2.00 -0.11 0.00 -1.18 0.00 0.00 61.69 58.48 1iri s THR 61 Cb 0.07 -2.54 0.12 0.00 1.34 0.00 0.00 72.50 71.50 1iri s THR 61 CO -0.09 0.00 1.74 -0.33 -0.54 0.00 0.00 174.62 175.40 1iri h GLU 62 N 1.97 0.35 -0.09 3.99 3.07 -2.00 -1.59 114.58 120.28 1iri h GLU 62 Ca -0.38 -0.02 0.02 0.00 -0.50 0.00 0.00 59.36 58.48 1iri h GLU 62 Cb 1.26 -0.08 -0.02 0.00 -0.84 0.00 0.00 28.75 29.08 1iri h GLU 62 CO 0.62 0.23 -0.01 -0.44 -1.40 0.00 0.00 179.01 178.01 1iri h ASP 63 N 0.36 -0.06 -0.46 1.42 3.32 -1.99 -1.17 116.42 117.84 1iri h ASP 63 Ca 0.28 0.02 0.08 0.00 0.02 0.00 0.00 57.03 57.43 1iri h ASP 63 Cb 0.34 0.04 -0.07 0.00 0.22 0.00 0.00 39.33 39.86 1iri h ASP 63 CO -0.29 -0.02 0.05 0.58 -1.72 0.00 0.00 179.24 177.84 1iri h VAL 64 N 0.02 0.70 -0.81 -1.35 2.07 -1.87 0.33 116.25 115.34 1iri h VAL 64 Ca 0.04 -0.06 0.03 0.00 0.82 0.00 0.00 66.70 67.53 1iri h VAL 64 Cb 0.06 0.51 -0.05 0.00 -1.52 0.00 0.00 31.29 30.29 1iri h VAL 64 CO -0.08 0.03 0.51 0.24 0.02 0.00 0.00 177.57 178.30 1iri h MET 65 N 0.17 0.97 -0.61 1.57 2.86 -0.91 -1.48 114.93 117.51 1iri h MET 65 Ca 0.23 -0.06 -0.06 0.00 -2.06 0.00 0.00 59.70 57.75 1iri h MET 65 Cb 0.32 -0.22 -0.02 0.00 0.06 0.00 0.00 31.60 31.74 1iri h MET 65 CO -0.34 0.64 0.14 -0.09 1.06 0.00 0.00 176.91 178.33 1iri h ARG 66 N 1.00 0.99 -0.75 1.72 2.43 -0.14 -1.38 114.38 118.26 1iri h ARG 66 Ca 0.32 -0.24 -0.05 0.00 -0.81 0.00 0.00 59.98 59.20 1iri h ARG 66 Cb 0.01 -0.13 -0.03 0.00 -0.42 0.00 0.00 29.97 29.40 1iri h ARG 66 CO -0.11 0.91 0.26 0.52 -1.51 0.00 0.00 179.97 180.04 1iri h MET 67 N 0.90 1.13 -0.85 0.20 2.86 -0.72 -1.83 114.93 116.62 1iri h MET 67 Ca 0.19 -0.22 -0.03 0.00 -2.06 0.00 0.00 59.70 57.58 1iri h MET 67 Cb 0.37 -0.18 -0.04 0.00 0.06 0.00 0.00 31.60 31.81 1iri h MET 67 CO 0.00 0.94 0.43 -0.07 1.06 0.00 0.00 176.91 179.27 1iri h LEU 68 N 1.10 1.10 -0.53 1.22 3.38 -0.69 0.12 115.31 121.01 1iri h LEU 68 Ca 0.25 -0.13 -0.04 0.00 0.09 0.00 0.00 57.88 58.05 1iri h LEU 68 Cb 0.26 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.70 1iri h LEU 68 CO -0.01 0.92 0.19 0.58 0.09 0.00 0.00 178.44 180.20 1iri h VAL 69 N 1.21 1.22 -0.86 1.22 2.07 -1.02 -2.10 116.25 117.99 1iri h VAL 69 Ca 0.30 -0.73 0.08 0.00 0.82 0.00 0.00 66.70 67.16 1iri h VAL 69 Cb 0.09 0.71 -0.06 0.00 -1.52 0.00 0.00 31.29 30.52 1iri h VAL 69 CO -0.04 0.27 0.56 0.44 0.02 0.00 0.00 177.57 178.82 1iri h ASP 70 N 0.72 0.81 -0.85 0.57 3.32 -0.40 -0.20 116.42 120.40 1iri h ASP 70 Ca 0.17 0.01 -0.03 0.00 0.02 0.00 0.00 57.03 57.20 1iri h ASP 70 Cb 0.24 -0.16 -0.04 0.00 0.22 0.00 0.00 39.33 39.59 1iri h ASP 70 CO -0.01 0.51 0.41 0.25 -1.72 0.00 0.00 179.24 178.68 1iri h LEU 71 N 0.91 1.11 -0.66 1.55 5.85 -0.46 0.55 115.31 124.16 1iri h LEU 71 Ca 0.38 -0.13 -0.12 0.00 0.84 0.00 0.00 57.88 58.84 1iri h LEU 71 Cb 0.29 -0.29 -0.01 0.00 0.37 0.00 0.00 40.66 41.02 1iri h LEU 71 CO -0.15 0.93 -0.30 0.00 -0.34 0.00 0.00 178.44 178.59 1iri h ALA 72 N 1.23 0.84 0.35 1.25 0.00 -0.45 0.22 119.26 122.71 1iri h ALA 72 Ca 0.29 -0.40 -0.02 0.00 0.00 0.00 0.00 54.91 54.78 1iri h ALA 72 Cb 0.12 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.78 1iri h ALA 72 CO -0.04 0.64 -0.17 0.87 0.00 0.00 0.00 179.25 180.55 1iri h LYS 73 N 0.61 -0.46 -0.78 0.00 1.57 -0.47 -1.10 116.57 115.94 1iri h LYS 73 Ca 0.07 0.03 0.09 0.00 -1.87 0.00 0.00 60.65 58.97 1iri h LYS 73 Cb 0.81 0.10 -0.05 0.00 0.08 0.00 0.00 32.23 33.17 1iri h LYS 73 CO 0.07 -0.15 0.51 1.03 -0.57 0.00 0.00 179.45 180.34 1iri h SER 74 N -0.80 0.66 0.60 0.86 0.87 0.13 -1.41 113.55 114.46 1iri h SER 74 Ca -0.05 0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.53 1iri h SER 74 Cb 0.52 -0.12 0.00 0.00 -0.44 0.00 0.00 62.40 62.36 1iri h SER 74 CO 0.08 0.40 -0.04 0.54 -0.53 0.00 0.00 176.83 177.28 1iri n ARG 75 N -4.50 0.40 -1.95 2.24 5.12 0.77 -4.92 116.66 113.81 1iri n ARG 75 Ca 0.13 -0.04 0.00 0.00 -1.93 0.00 0.00 57.85 56.00 1iri n ARG 75 Cb 0.31 -1.50 0.00 0.00 -1.16 0.00 0.00 32.46 30.11 1iri n ARG 75 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1iri n GLY 76 N 1.33 0.69 0.23 -0.13 0.00 -0.53 -4.80 105.19 101.97 1iri n GLY 76 Ca 0.13 -0.73 -0.01 0.00 0.00 0.00 0.00 46.02 45.40 1iri n GLY 76 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1iri h VAL 77 N 0.00 0.86 -0.32 1.61 2.07 -1.44 -1.47 116.25 117.55 1iri h VAL 77 Ca 0.00 -0.17 -0.15 0.00 0.82 0.00 0.00 66.70 67.20 1iri h VAL 77 Cb 0.90 0.33 -0.00 0.00 -1.52 0.00 0.00 31.29 30.99 1iri h VAL 77 CO 0.00 0.09 -0.40 -0.33 0.02 0.00 0.00 177.57 176.95 1iri h GLU 78 N 0.49 0.84 -0.17 1.57 5.08 -1.92 0.31 114.58 120.77 1iri h GLU 78 Ca 0.28 -0.47 -0.00 0.00 -1.00 0.00 0.00 59.36 58.17 1iri h GLU 78 Cb 0.28 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.55 1iri h GLU 78 CO -0.24 1.11 0.11 0.00 -1.00 0.00 0.00 179.01 178.99 1iri h ALA 79 N 0.72 0.22 -0.97 3.43 0.00 -1.92 -0.93 119.26 119.81 1iri h ALA 79 Ca 0.04 -0.03 0.01 0.00 0.00 0.00 0.00 54.91 54.93 1iri h ALA 79 Cb 1.00 -0.07 -0.05 0.00 0.00 0.00 0.00 17.79 18.67 1iri h ALA 79 CO 0.10 -0.28 0.63 0.00 0.00 0.00 0.00 179.25 179.70 1iri h ALA 80 N 1.03 1.30 -0.27 0.00 0.00 -1.14 -0.28 119.26 119.90 1iri h ALA 80 Ca 0.06 -0.07 0.03 0.00 0.00 0.00 0.00 54.91 54.93 1iri h ALA 80 Cb 0.01 -0.39 -0.03 0.00 0.00 0.00 0.00 17.79 17.38 1iri h ALA 80 CO -0.01 0.65 0.09 -0.09 0.00 0.00 0.00 179.25 179.88 1iri h ARG 81 N 1.32 0.20 -0.83 0.00 2.43 -0.45 -0.69 114.38 116.36 1iri h ARG 81 Ca 0.35 -0.01 -0.03 0.00 -0.81 0.00 0.00 59.98 59.48 1iri h ARG 81 Cb -0.14 -0.05 -0.04 0.00 -0.42 0.00 0.00 29.97 29.33 1iri h ARG 81 CO -0.08 0.13 0.41 0.93 -1.51 0.00 0.00 179.97 179.86 1iri h GLU 82 N 0.21 1.18 -0.32 0.20 4.39 -0.58 0.51 114.58 120.17 1iri h GLU 82 Ca 0.12 -0.17 0.05 0.00 0.34 0.00 0.00 59.36 59.71 1iri h GLU 82 Cb 0.09 -0.22 -0.05 0.00 -0.10 0.00 0.00 28.75 28.48 1iri h GLU 82 CO -0.13 0.90 0.03 0.00 -1.16 0.00 0.00 179.01 178.65 1iri h ARG 83 N 1.17 0.12 0.12 2.33 3.08 -0.29 1.23 114.38 122.14 1iri h ARG 83 Ca 0.29 -0.01 -0.00 0.00 0.07 0.00 0.00 59.98 60.33 1iri h ARG 83 Cb 0.10 -0.03 -0.00 0.00 0.08 0.00 0.00 29.97 30.12 1iri h ARG 83 CO -0.04 0.08 -0.07 1.98 -1.07 0.00 0.00 179.97 180.85 1iri h MET 84 N 0.13 -0.18 0.00 0.04 4.05 -0.37 -2.17 114.93 116.42 1iri h MET 84 Ca 0.16 0.01 -0.04 0.00 -0.28 0.00 0.00 59.70 59.55 1iri h MET 84 Cb 0.20 0.04 -0.01 0.00 -0.80 0.00 0.00 31.60 31.03 1iri h MET 84 CO -0.24 -0.12 -0.17 0.74 0.23 0.00 0.00 176.91 177.35 1iri h PHE 85 N -0.19 0.00 -0.01 1.39 -1.00 -0.33 -2.65 116.94 114.15 1iri h PHE 85 Ca -0.01 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.77 1iri h PHE 85 Cb 0.16 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.72 1iri h PHE 85 CO -0.09 0.17 -0.19 0.09 -1.61 0.00 0.00 178.31 176.68 1iri n ASN 86 N -3.48 0.72 0.00 2.17 5.03 0.42 -4.94 115.26 115.17 1iri n ASN 86 Ca -0.01 -0.68 0.00 0.00 0.87 0.00 0.00 54.58 54.76 1iri n ASN 86 Cb 0.33 0.02 0.00 0.00 -1.02 0.00 0.00 39.78 39.12 1iri n ASN 86 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1iri n GLY 87 N 1.32 0.76 3.68 7.41 0.00 -0.87 -4.47 105.19 113.02 1iri n GLY 87 Ca 0.13 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.84 1iri n GLY 87 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1iri s GLU 88 N -0.58 1.08 -1.48 1.61 2.02 -0.88 -4.66 118.70 115.81 1iri s GLU 88 Ca 0.00 1.28 -0.09 0.00 0.02 0.00 0.00 54.97 56.17 1iri s GLU 88 Cb 0.00 -1.75 -0.08 0.00 0.10 0.00 0.00 34.13 32.40 1iri s GLU 88 CO 0.00 -2.50 2.76 1.63 0.02 0.00 0.00 175.26 177.18 1iri n LYS 89 N -4.12 3.34 0.06 1.61 4.01 -1.26 -4.07 118.16 117.73 1iri n LYS 89 Ca 0.09 -2.08 0.10 0.00 -0.51 0.00 0.00 58.31 55.92 1iri n LYS 89 Cb 0.53 -2.76 0.41 0.00 -0.51 0.00 0.00 35.03 32.70 1iri n LYS 89 CO 0.00 0.00 0.00 0.44 -1.11 0.00 0.00 177.40 176.73 1iri n ILE 90 N 3.79 0.83 -2.28 -0.18 -5.35 -1.10 -3.61 119.36 111.45 1iri n ILE 90 Ca 0.71 0.19 -0.43 0.00 -0.27 0.00 0.00 62.75 62.95 1iri n ILE 90 Cb 0.22 -1.00 0.00 0.00 -1.74 0.00 0.00 39.64 37.13 1iri n ILE 90 CO 0.00 0.00 0.00 -3.20 -1.76 0.00 0.00 176.55 171.59 1iri n ASN 91 N -1.83 4.63 -0.30 7.28 4.05 -0.13 -4.82 115.26 124.15 1iri n ASN 91 Ca 0.03 -2.94 -0.03 0.00 0.45 0.00 0.00 54.58 52.09 1iri n ASN 91 Cb 0.22 -1.63 0.09 0.00 1.23 0.00 0.00 39.78 39.68 1iri n ASN 91 CO 0.00 0.00 0.00 0.10 -3.05 0.00 0.00 177.26 174.31 1iri h TYR 92 N 6.57 1.01 0.00 1.20 -0.00 -1.81 0.44 116.97 124.37 1iri h TYR 92 Ca 0.46 0.02 -0.01 0.00 0.00 0.00 0.00 58.73 59.21 1iri h TYR 92 Cb 0.74 -0.34 -0.00 0.00 0.00 0.00 0.00 36.73 37.13 1iri h TYR 92 CO 1.35 0.61 -0.04 1.79 -0.00 0.00 0.00 178.16 181.88 1iri h THR 93 N 1.07 0.14 -0.00 -0.90 1.35 -1.91 -2.35 112.91 110.31 1iri h THR 93 Ca 0.31 -0.44 0.00 0.00 -0.55 0.00 0.00 66.41 65.73 1iri h THR 93 Cb -0.07 1.38 0.00 0.00 -1.73 0.00 0.00 68.15 67.73 1iri h THR 93 CO -0.08 0.04 -0.41 -0.62 -0.25 0.00 0.00 175.52 174.20 1iri n GLU 94 N -3.20 3.66 -3.00 4.72 1.02 -0.96 -5.01 120.64 117.87 1iri n GLU 94 Ca -0.01 -0.08 -0.12 0.00 -0.02 0.00 0.00 57.16 56.93 1iri n GLU 94 Cb 0.25 -0.96 0.05 0.00 -0.02 0.00 0.00 31.44 30.76 1iri n GLU 94 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1iri n GLY 95 N 1.17 0.06 3.32 0.62 0.00 0.06 -5.04 105.19 105.38 1iri n GLY 95 Ca 0.02 -0.15 -0.24 0.00 0.00 0.00 0.00 46.02 45.65 1iri n GLY 95 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1iri s ARG 96 N -5.37 1.22 0.68 1.61 0.52 -0.67 -4.98 118.95 111.96 1iri s ARG 96 Ca 0.20 -1.27 -0.11 0.00 -0.52 0.00 0.00 55.73 54.04 1iri s ARG 96 Cb -0.09 -1.47 -0.00 0.00 0.52 0.00 0.00 34.95 33.91 1iri s ARG 96 CO 0.41 0.33 1.05 0.00 0.02 0.00 0.00 175.30 177.12 1iri s ALA 97 N -1.40 2.77 -0.29 2.13 0.00 -1.26 -0.96 121.76 122.75 1iri s ALA 97 Ca 0.10 0.06 0.00 0.00 0.00 0.00 0.00 51.96 52.12 1iri s ALA 97 Cb -0.09 -3.16 0.09 0.00 0.00 0.00 0.00 23.12 19.96 1iri s ALA 97 CO 0.05 -1.11 0.06 0.08 0.00 0.00 0.00 175.76 174.85 1iri s VAL 98 N -3.06 1.19 -0.36 0.00 1.01 -1.26 -4.29 120.40 113.62 1iri s VAL 98 Ca 0.58 -1.45 0.14 0.00 0.00 0.00 0.00 61.98 61.24 1iri s VAL 98 Cb -0.13 -1.80 0.39 0.00 0.00 0.00 0.00 36.38 34.83 1iri s VAL 98 CO 0.54 -0.52 0.82 0.18 0.00 0.00 0.00 175.10 176.12 1iri n LEU 99 N 4.74 1.25 0.23 3.92 4.77 -0.95 -4.77 117.00 126.19 1iri n LEU 99 Ca -0.03 -4.63 0.11 0.00 -0.03 0.00 0.00 56.01 51.44 1iri n LEU 99 Cb 0.43 0.55 0.50 0.00 -2.33 0.00 0.00 43.42 42.57 1iri n LEU 99 CO 0.14 2.06 0.84 1.12 -1.33 0.00 0.00 177.39 180.22 1iri h HIS 100 N 2.99 0.00 0.00 -1.77 2.07 -1.88 -2.64 115.15 113.93 1iri h HIS 100 Ca 0.04 0.00 -0.05 0.00 -2.85 0.00 0.00 60.37 57.51 1iri h HIS 100 Cb 1.02 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 30.99 1iri h HIS 100 CO 0.49 0.18 -0.23 -0.39 -3.07 0.00 0.00 177.93 174.92 1iri h VAL 101 N 0.00 1.03 -0.35 6.12 -1.51 -1.94 -2.44 116.25 117.16 1iri h VAL 101 Ca -0.00 -0.82 -0.10 0.00 -1.23 0.00 0.00 66.70 64.54 1iri h VAL 101 Cb 0.70 1.46 -0.01 0.00 -2.13 0.00 0.00 31.29 31.30 1iri h VAL 101 CO 0.02 0.22 -0.21 0.00 -1.23 0.00 0.00 177.57 176.38 1iri h ALA 102 N 1.77 0.97 -0.71 5.19 0.00 -1.86 -2.15 119.26 122.47 1iri h ALA 102 Ca -0.00 -0.35 0.10 0.00 0.00 0.00 0.00 54.91 54.65 1iri h ALA 102 Cb 0.44 -0.15 -0.07 0.00 0.00 0.00 0.00 17.79 18.01 1iri h ALA 102 CO 0.03 0.60 0.35 -0.07 0.00 0.00 0.00 179.25 180.16 1iri h LEU 103 N 0.60 0.44 -3.55 0.00 3.38 -1.51 -2.26 115.31 112.41 1iri h LEU 103 Ca 0.09 0.07 -0.15 0.00 0.09 0.00 0.00 57.88 57.98 1iri h LEU 103 Cb 0.68 -0.01 -0.09 0.00 0.09 0.00 0.00 40.66 41.34 1iri h LEU 103 CO 0.05 0.24 0.14 -2.11 0.09 0.00 0.00 178.44 176.85 1iri n ARG 104 N -4.88 3.28 -2.35 1.13 0.00 -1.09 -4.87 116.66 107.87 1iri n ARG 104 Ca 0.11 -3.05 -0.36 0.00 -0.00 0.00 0.00 57.85 54.55 1iri n ARG 104 Cb 0.29 -2.06 -0.03 0.00 -0.00 0.00 0.00 32.46 30.65 1iri n ARG 104 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.63 178.84 1iri s ASN 105 N -1.50 6.02 0.41 2.89 2.47 -0.83 -4.23 114.94 120.17 1iri s ASN 105 Ca 0.50 -1.97 0.19 0.00 0.42 0.00 0.00 52.86 52.01 1iri s ASN 105 Cb 0.41 -2.58 0.86 0.00 -1.45 0.00 0.00 41.25 38.49 1iri s ASN 105 CO 0.10 -2.02 1.83 0.03 -3.72 0.00 0.00 177.10 173.32 1iri h ARG 106 N 8.79 0.00 0.00 0.43 2.47 -1.88 -2.33 114.38 121.86 1iri h ARG 106 Ca 0.32 0.00 -0.04 0.00 -1.26 0.00 0.00 59.98 59.00 1iri h ARG 106 Cb 0.92 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 29.23 1iri h ARG 106 CO 1.35 0.32 -0.17 0.66 0.56 0.00 0.00 179.97 182.69 1iri h SER 107 N 0.00 0.00 -0.31 7.04 4.64 -2.00 -3.47 113.55 119.45 1iri h SER 107 Ca -0.00 0.00 -0.13 0.00 -0.47 0.00 0.00 61.79 61.18 1iri h SER 107 Cb 0.72 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 62.76 1iri h SER 107 CO 0.04 0.17 -0.12 0.59 -0.87 0.00 0.00 176.83 176.64 1iri n ASN 108 N -3.33 -4.19 -4.63 4.97 5.03 -0.88 -4.99 115.26 107.24 1iri n ASN 108 Ca 0.00 0.16 -0.42 0.00 0.87 0.00 0.00 54.58 55.20 1iri n ASN 108 Cb 0.40 -2.26 0.01 0.00 -1.02 0.00 0.00 39.78 36.91 1iri n ASN 108 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.26 175.84 1iri n THR 109 N -2.68 2.38 -2.02 3.41 -1.04 -1.26 -4.86 114.28 108.21 1iri n THR 109 Ca -0.06 -0.50 -0.42 0.00 -2.04 0.00 0.00 64.05 61.03 1iri n THR 109 Cb 0.28 -1.25 -0.03 0.00 -1.82 0.00 0.00 70.33 67.51 1iri n THR 109 CO 0.00 0.00 0.00 -2.84 -0.64 0.00 0.00 175.07 171.59 1iri s PRO 110 N -1.99 4.26 -0.17 -2.82 0.02 -1.26 -4.91 135.00 128.14 1iri s PRO 110 Ca 0.62 2.26 0.00 0.00 0.02 0.00 0.00 61.00 63.90 1iri s PRO 110 Cb -0.56 -3.17 0.03 0.00 0.02 0.00 0.00 34.50 30.82 1iri s PRO 110 CO 0.58 -0.51 -0.11 0.42 -0.33 0.00 0.00 177.00 177.05 1iri s ILE 111 N 0.85 1.48 -0.16 2.83 1.01 -1.26 -5.06 121.20 120.90 1iri s ILE 111 Ca 0.66 -0.74 -0.05 0.00 0.00 0.00 0.00 60.65 60.52 1iri s ILE 111 Cb -0.41 -1.50 -0.03 0.00 0.01 0.00 0.00 42.46 40.53 1iri s ILE 111 CO 0.34 0.30 0.00 -0.76 0.00 0.00 0.00 174.94 174.82 1iri s LEU 112 N 1.49 3.50 -0.16 2.97 1.43 -1.26 -1.46 118.68 125.21 1iri s LEU 112 Ca 0.02 -0.01 0.02 0.00 -1.03 0.00 0.00 54.13 53.12 1iri s LEU 112 Cb -0.14 -1.85 0.02 0.00 0.03 0.00 0.00 46.19 44.24 1iri s LEU 112 CO -0.09 0.20 -0.20 0.68 0.23 0.00 0.00 176.35 177.17 1iri s VAL 113 N 0.19 1.99 -1.15 -1.59 -7.23 0.25 -4.55 120.40 108.32 1iri s VAL 113 Ca 0.01 -0.91 -0.06 0.00 -1.81 0.00 0.00 61.98 59.20 1iri s VAL 113 Cb -0.13 -1.78 0.01 0.00 0.56 0.00 0.00 36.38 35.03 1iri s VAL 113 CO 0.02 0.53 0.99 0.47 -0.31 0.00 0.00 175.10 176.80 1iri n ASP 114 N 4.40 -5.03 0.00 4.85 10.43 -1.26 -1.86 116.55 128.09 1iri n ASP 114 Ca -0.20 -0.48 0.00 0.00 2.57 0.00 0.00 54.79 56.68 1iri n ASP 114 Cb 0.51 -4.44 0.00 0.00 1.84 0.00 0.00 41.12 39.03 1iri n ASP 114 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 1iri n GLY 115 N -1.67 0.37 3.53 0.44 0.00 -1.26 -4.97 105.19 101.62 1iri n GLY 115 Ca -0.05 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.64 1iri n GLY 115 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1iri s LYS 116 N -0.68 3.67 0.02 1.61 2.20 -0.78 -4.98 119.74 120.82 1iri s LYS 116 Ca 0.00 -0.49 -0.30 0.00 -0.36 0.00 0.00 55.97 54.82 1iri s LYS 116 Cb 0.00 -2.94 -0.06 0.00 -1.51 0.00 0.00 37.83 33.31 1iri s LYS 116 CO 0.00 0.28 1.45 0.34 -0.36 0.00 0.00 175.35 177.05 1iri s ASP 117 N 0.28 6.80 0.24 1.43 2.15 -1.26 -0.58 116.67 125.73 1iri s ASP 117 Ca -0.02 2.20 0.23 0.00 0.43 0.00 0.00 52.55 55.39 1iri s ASP 117 Cb -0.14 -2.56 0.25 0.00 -0.30 0.00 0.00 42.92 40.17 1iri s ASP 117 CO 0.02 -0.74 1.33 -0.37 -0.17 0.00 0.00 175.17 175.24 1iri h VAL 118 N 4.84 0.00 -0.96 1.11 -1.51 -1.62 -3.39 116.25 114.72 1iri h VAL 118 Ca -0.39 -0.81 0.11 0.00 -1.23 0.00 0.00 66.70 64.38 1iri h VAL 118 Cb 1.19 1.50 -0.08 0.00 -2.13 0.00 0.00 31.29 31.77 1iri h VAL 118 CO 0.90 0.00 0.59 0.24 -1.23 0.00 0.00 177.57 178.08 1iri h MET 119 N 0.00 0.92 -0.83 5.19 2.86 -1.91 0.15 114.93 121.31 1iri h MET 119 Ca 0.00 -0.06 -0.00 0.00 -2.06 0.00 0.00 59.70 57.58 1iri h MET 119 Cb 0.91 -0.21 -0.04 0.00 0.06 0.00 0.00 31.60 32.32 1iri h MET 119 CO 0.00 0.61 0.50 -1.35 1.06 0.00 0.00 176.91 177.73 1iri h PRO 120 N 0.95 1.12 -0.15 -0.22 0.11 -1.97 0.24 132.00 132.08 1iri h PRO 120 Ca 0.47 -0.10 -0.09 0.00 0.11 0.00 0.00 66.00 66.39 1iri h PRO 120 Cb 0.45 -0.24 -0.00 0.00 0.11 0.00 0.00 31.00 31.32 1iri h PRO 120 CO -0.26 0.79 -0.25 1.49 -0.21 0.00 0.00 178.00 179.56 1iri h GLU 121 N 1.14 0.44 -0.65 1.05 4.57 -1.40 -2.14 114.58 117.60 1iri h GLU 121 Ca 0.30 -0.27 0.06 0.00 -1.18 0.00 0.00 59.36 58.27 1iri h GLU 121 Cb -0.05 0.03 -0.06 0.00 -0.16 0.00 0.00 28.75 28.51 1iri h GLU 121 CO -0.06 0.87 0.35 0.28 -1.18 0.00 0.00 179.01 179.27 1iri h VAL 122 N 0.07 0.94 0.00 0.32 2.07 -0.45 -2.45 116.25 116.75 1iri h VAL 122 Ca 0.01 -0.22 -0.02 0.00 0.82 0.00 0.00 66.70 67.30 1iri h VAL 122 Cb 0.83 0.25 -0.00 0.00 -1.52 0.00 0.00 31.29 30.85 1iri h VAL 122 CO 0.06 0.12 -0.08 0.78 0.02 0.00 0.00 177.57 178.47 1iri h ASN 123 N 0.64 0.00 -0.08 0.57 2.35 -0.40 -2.01 115.58 116.65 1iri h ASN 123 Ca 0.29 0.00 -0.10 0.00 -0.55 0.00 0.00 56.30 55.94 1iri h ASN 123 Cb 0.21 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.58 1iri h ASN 123 CO -0.19 0.08 -0.35 0.50 -1.65 0.00 0.00 177.43 175.81 1iri h LYS 124 N 0.00 0.37 -0.57 0.81 3.64 -0.91 -1.06 116.57 118.85 1iri h LYS 124 Ca -0.00 -0.30 -0.06 0.00 -1.27 0.00 0.00 60.65 59.02 1iri h LYS 124 Cb 0.70 0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 32.56 1iri h LYS 124 CO 0.01 0.94 0.14 0.28 -2.27 0.00 0.00 179.45 178.54 1iri h VAL 125 N -0.10 1.25 -0.23 2.00 2.07 -1.33 0.36 116.25 120.27 1iri h VAL 125 Ca -0.02 -0.89 0.05 0.00 0.82 0.00 0.00 66.70 66.65 1iri h VAL 125 Cb 1.00 0.74 -0.04 0.00 -1.52 0.00 0.00 31.29 31.47 1iri h VAL 125 CO 0.07 0.33 -0.06 -0.07 0.02 0.00 0.00 177.57 177.86 1iri h LEU 126 N 0.81 -0.23 -0.52 2.57 3.38 -1.32 0.48 115.31 120.48 1iri h LEU 126 Ca 0.18 0.07 0.03 0.00 0.09 0.00 0.00 57.88 58.25 1iri h LEU 126 Cb 0.35 0.15 -0.04 0.00 0.09 0.00 0.00 40.66 41.21 1iri h LEU 126 CO 0.00 -0.08 0.30 0.44 0.09 0.00 0.00 178.44 179.19 1iri h ASP 127 N -0.01 0.47 -0.43 -0.43 3.32 -0.82 0.27 116.42 118.79 1iri h ASP 127 Ca 0.11 0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.17 1iri h ASP 127 Cb 0.18 -0.09 -0.02 0.00 0.22 0.00 0.00 39.33 39.62 1iri h ASP 127 CO -0.24 0.33 0.28 0.50 -1.72 0.00 0.00 179.24 178.39 1iri h LYS 128 N 0.59 0.58 -0.12 3.56 3.64 -0.26 0.78 116.57 125.33 1iri h LYS 128 Ca 0.21 -0.04 -0.12 0.00 -1.27 0.00 0.00 60.65 59.44 1iri h LYS 128 Cb 0.05 -0.13 0.00 0.00 -0.41 0.00 0.00 32.23 31.75 1iri h LYS 128 CO -0.11 0.39 -0.39 0.52 -2.27 0.00 0.00 179.45 177.59 1iri h MET 129 N 0.59 0.47 -0.46 1.90 2.86 0.15 -2.33 114.93 118.12 1iri h MET 129 Ca 0.16 -0.35 0.04 0.00 -2.06 0.00 0.00 59.70 57.49 1iri h MET 129 Cb -0.06 0.06 -0.04 0.00 0.06 0.00 0.00 31.60 31.63 1iri h MET 129 CO -0.03 0.97 0.24 -0.22 1.06 0.00 0.00 176.91 178.92 1iri h LYS 130 N 0.07 0.46 -0.46 1.72 3.64 0.13 -1.24 116.57 120.88 1iri h LYS 130 Ca -0.01 -0.03 -0.02 0.00 -1.27 0.00 0.00 60.65 59.32 1iri h LYS 130 Cb 1.01 -0.10 -0.02 0.00 -0.41 0.00 0.00 32.23 32.71 1iri h LYS 130 CO 0.08 0.30 0.21 1.03 -2.27 0.00 0.00 179.45 178.81 1iri h SER 131 N 0.47 0.61 -0.62 4.20 0.87 -0.87 -2.48 113.55 115.73 1iri h SER 131 Ca 0.20 -0.14 -0.05 0.00 -1.23 0.00 0.00 61.79 60.57 1iri h SER 131 Cb 0.10 -0.16 -0.03 0.00 -0.44 0.00 0.00 62.40 61.87 1iri h SER 131 CO -0.13 0.58 0.21 0.15 -0.53 0.00 0.00 176.83 177.11 1iri h PHE 132 N 0.60 0.99 -0.22 2.24 3.57 -1.03 -1.85 116.94 121.24 1iri h PHE 132 Ca 0.16 -0.09 -0.02 0.00 3.53 0.00 0.00 57.97 61.54 1iri h PHE 132 Cb 0.14 -0.29 -0.01 0.00 2.79 0.00 0.00 35.95 38.58 1iri h PHE 132 CO -0.01 0.80 0.05 0.00 -2.23 0.00 0.00 178.31 176.92 1iri h GLN 134 N 0.17 0.49 -0.71 0.00 -0.00 -1.38 0.46 115.11 114.13 1iri h GLN 134 Ca 0.07 -0.03 -0.04 0.00 -0.00 0.00 0.00 58.65 58.65 1iri h GLN 134 Cb 0.29 -0.11 -0.03 0.00 0.00 0.00 0.00 27.48 27.63 1iri h GLN 134 CO 0.00 0.32 0.30 0.00 0.00 0.00 0.00 178.83 179.45 1iri h ARG 135 N 0.50 1.05 0.00 1.69 3.08 -1.00 -0.09 114.38 119.60 1iri h ARG 135 Ca 0.33 -0.18 -0.19 0.00 0.07 0.00 0.00 59.98 60.01 1iri h ARG 135 Cb 0.38 -0.17 -0.03 0.00 0.08 0.00 0.00 29.97 30.23 1iri h ARG 135 CO -0.29 0.85 -0.93 0.28 -1.07 0.00 0.00 179.97 178.81 1iri h VAL 136 N 1.00 1.48 0.00 2.04 2.07 -0.61 -1.08 116.25 121.15 1iri h VAL 136 Ca 0.24 -3.11 -0.08 0.00 0.82 0.00 0.00 66.70 64.56 1iri h VAL 136 Cb 0.18 2.73 -0.01 0.00 -1.52 0.00 0.00 31.29 32.67 1iri h VAL 136 CO -0.02 0.84 -0.53 0.03 0.02 0.00 0.00 177.57 177.91 1iri h ARG 137 N 0.00 0.00 0.21 1.57 3.08 0.05 -3.34 114.38 115.95 1iri h ARG 137 Ca -0.02 0.00 -0.33 0.00 0.07 0.00 0.00 59.98 59.69 1iri h ARG 137 Cb 1.69 0.00 0.02 0.00 0.08 0.00 0.00 29.97 31.77 1iri h ARG 137 CO 0.11 0.35 -1.55 0.66 -1.07 0.00 0.00 179.97 178.47 1iri h SER 138 N 0.00 0.70 0.00 7.04 4.64 -1.11 -3.48 113.55 121.34 1iri h SER 138 Ca -0.02 -0.85 0.00 0.00 -0.47 0.00 0.00 61.79 60.45 1iri h SER 138 Cb 1.31 -0.23 0.00 0.00 -0.31 0.00 0.00 62.40 63.17 1iri h SER 138 CO 0.05 1.68 0.00 0.61 -0.87 0.00 0.00 176.83 178.30 1iri n GLY 139 N 1.74 1.51 0.33 -0.77 0.00 -1.21 -5.01 105.19 101.77 1iri n GLY 139 Ca -0.18 0.00 0.22 0.00 0.00 0.00 0.00 46.02 46.06 1iri n GLY 139 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 1iri h ASP 140 N 0.51 0.35 -3.21 1.61 1.82 -1.82 -3.37 116.42 112.31 1iri h ASP 140 Ca 0.00 0.20 -0.58 0.00 -0.39 0.00 0.00 57.03 56.26 1iri h ASP 140 Cb 0.00 0.19 -0.07 0.00 0.68 0.00 0.00 39.33 40.14 1iri h ASP 140 CO 0.00 -0.18 0.59 0.86 -1.61 0.00 0.00 179.24 178.90 1iri s TRP 141 N -5.72 3.37 0.13 0.28 -0.11 -0.43 -5.02 118.94 111.46 1iri s TRP 141 Ca -0.10 1.35 0.08 0.00 1.22 0.00 0.00 56.10 58.65 1iri s TRP 141 Cb 0.30 -3.14 -0.04 0.00 -1.50 0.00 0.00 33.47 29.08 1iri s TRP 141 CO 0.78 -0.37 -0.09 0.15 -4.62 0.00 0.00 176.95 172.81 1iri s LYS 142 N 2.70 2.13 1.19 5.86 -0.14 -1.26 -4.24 119.74 125.99 1iri s LYS 142 Ca 0.41 -1.11 -0.20 0.00 -1.36 0.00 0.00 55.97 53.72 1iri s LYS 142 Cb -0.16 -2.27 0.29 0.00 -1.68 0.00 0.00 37.83 34.01 1iri s LYS 142 CO 0.09 0.48 1.14 0.20 -0.76 0.00 0.00 175.35 176.50 1iri s GLY 143 N -2.48 1.61 0.00 -3.33 0.00 0.25 -4.80 107.32 98.58 1iri s GLY 143 Ca 0.23 -1.05 0.09 0.00 0.00 0.00 0.00 44.72 44.00 1iri s GLY 143 CO 0.15 -0.15 1.30 1.58 0.00 0.00 0.00 173.10 175.98 1iri n TYR 144 N -4.69 0.00 -0.53 1.90 0.18 -1.26 -1.30 117.16 111.45 1iri n TYR 144 Ca 0.14 0.00 0.05 0.00 1.88 0.00 0.00 57.90 59.97 1iri n TYR 144 Cb 0.60 -0.50 0.07 0.00 -0.38 0.00 0.00 39.34 39.13 1iri n TYR 144 CO 0.00 0.00 0.00 0.25 -2.08 0.00 0.00 176.86 175.03 1iri n THR 145 N -1.50 1.43 -0.96 -3.48 -2.24 -1.26 -5.01 114.28 101.27 1iri n THR 145 Ca 0.02 -1.61 0.00 0.00 -2.27 0.00 0.00 64.05 60.19 1iri n THR 145 Cb 0.11 0.14 0.00 0.00 -2.10 0.00 0.00 70.33 68.48 1iri n THR 145 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1iri n GLY 146 N -0.96 0.42 3.92 3.38 0.00 -0.42 -5.06 105.19 106.47 1iri n GLY 146 Ca 0.08 -0.96 -0.28 0.00 0.00 0.00 0.00 46.02 44.87 1iri n GLY 146 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1iri s LYS 147 N -1.74 3.55 0.64 1.61 1.02 -1.26 -4.71 119.74 118.84 1iri s LYS 147 Ca 0.00 -0.25 -0.14 0.00 0.02 0.00 0.00 55.97 55.61 1iri s LYS 147 Cb 0.00 -2.78 -0.02 0.00 -0.52 0.00 0.00 37.83 34.51 1iri s LYS 147 CO 0.00 0.34 1.06 0.95 -0.92 0.00 0.00 175.35 176.78 1iri s THR 148 N -1.95 3.90 0.18 2.17 -4.23 -1.26 0.86 115.64 115.31 1iri s THR 148 Ca 0.40 0.78 -0.30 0.00 -1.18 0.00 0.00 61.69 61.39 1iri s THR 148 Cb -0.11 -3.38 -0.08 0.00 1.34 0.00 0.00 72.50 70.27 1iri s THR 148 CO 0.29 -0.65 1.11 -0.63 -0.54 0.00 0.00 174.62 174.20 1iri s ILE 149 N -2.71 3.82 0.00 2.99 -1.09 -1.26 -4.63 121.20 118.32 1iri s ILE 149 Ca 0.61 1.57 0.00 0.00 -2.23 0.00 0.00 60.65 60.60 1iri s ILE 149 Cb -0.15 -4.00 0.00 0.00 -1.58 0.00 0.00 42.46 36.73 1iri s ILE 149 CO 0.45 0.27 0.05 0.35 -1.23 0.00 0.00 174.94 174.82 1iri n THR 150 N 2.35 0.00 -3.78 2.92 -2.24 -0.02 -4.83 114.28 108.69 1iri n THR 150 Ca 0.03 -0.43 -0.13 0.00 -2.27 0.00 0.00 64.05 61.25 1iri n THR 150 Cb 0.46 1.01 -0.11 0.00 -2.10 0.00 0.00 70.33 69.59 1iri n THR 150 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1iri s ASP 151 N -0.78 -0.28 -0.09 3.42 1.11 -1.17 -1.68 116.67 117.20 1iri s ASP 151 Ca 0.00 0.54 0.01 0.00 0.18 0.00 0.00 52.55 53.28 1iri s ASP 151 Cb 0.00 0.54 0.02 0.00 1.07 0.00 0.00 42.92 44.55 1iri s ASP 151 CO 0.00 -0.10 -0.10 -0.69 1.18 0.00 0.00 175.17 175.47 1iri s VAL 152 N 0.18 1.07 -0.22 -1.27 1.01 0.72 -1.39 120.40 120.51 1iri s VAL 152 Ca -0.00 -0.38 -0.00 0.00 0.00 0.00 0.00 61.98 61.60 1iri s VAL 152 Cb -0.02 -1.03 0.02 0.00 0.00 0.00 0.00 36.38 35.35 1iri s VAL 152 CO 0.00 0.36 -0.12 -0.63 0.00 0.00 0.00 175.10 174.70 1iri s ILE 153 N 1.19 2.52 0.11 2.22 1.09 -0.44 0.93 121.20 128.82 1iri s ILE 153 Ca -0.05 -0.98 -0.17 0.00 -1.10 0.00 0.00 60.65 58.35 1iri s ILE 153 Cb -0.14 -2.19 -0.07 0.00 -1.06 0.00 0.00 42.46 39.00 1iri s ILE 153 CO -0.02 0.35 0.56 0.21 -0.10 0.00 0.00 174.94 175.93 1iri s ASN 154 N 1.31 6.94 -0.21 3.58 2.47 0.35 -0.89 114.94 128.48 1iri s ASN 154 Ca 0.02 1.17 -0.02 0.00 0.42 0.00 0.00 52.86 54.45 1iri s ASN 154 Cb -0.15 -2.32 0.06 0.00 -1.45 0.00 0.00 41.25 37.39 1iri s ASN 154 CO -0.08 0.19 0.01 -0.63 -3.72 0.00 0.00 177.10 172.87 1iri s ILE 155 N -1.29 0.87 -0.02 -5.21 1.01 0.83 -1.67 121.20 115.72 1iri s ILE 155 Ca 0.33 -0.82 -0.30 0.00 0.00 0.00 0.00 60.65 59.86 1iri s ILE 155 Cb -0.17 -1.31 0.12 0.00 0.01 0.00 0.00 42.46 41.11 1iri s ILE 155 CO 0.19 -0.20 1.29 -0.83 0.00 0.00 0.00 174.94 175.39 1iri s GLY 156 N 1.70 -0.42 0.02 6.18 0.00 -0.84 -0.48 107.32 113.47 1iri s GLY 156 Ca -0.02 0.70 -0.07 0.00 0.00 0.00 0.00 44.72 45.33 1iri s GLY 156 CO -0.08 0.14 0.13 -1.50 0.00 0.00 0.00 173.10 171.79 1iri s ILE 157 N -2.41 0.10 0.00 0.90 2.07 -1.26 -3.87 121.20 116.73 1iri s ILE 157 Ca 0.14 -0.84 0.00 0.00 -1.41 0.00 0.00 60.65 58.54 1iri s ILE 157 Cb 0.05 -0.62 0.00 0.00 0.13 0.00 0.00 42.46 42.02 1iri s ILE 157 CO -0.04 -0.46 0.00 0.61 -1.91 0.00 0.00 174.94 173.14 1iri n GLY 158 N 1.15 2.44 0.26 1.50 0.00 -1.26 -2.27 105.19 107.01 1iri n GLY 158 Ca -0.21 -0.31 0.15 0.00 0.00 0.00 0.00 46.02 45.64 1iri n GLY 158 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1iri h GLY 159 N 0.00 0.00 -3.35 -0.02 0.00 -1.97 -1.56 103.07 96.16 1iri h GLY 159 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.31 1iri h GLY 159 CO 0.00 0.00 0.03 1.44 0.00 0.00 0.00 176.54 178.01 1iri n SER 160 N -2.61 5.46 0.14 0.19 7.64 -0.96 -4.53 113.62 118.95 1iri n SER 160 Ca -0.02 -2.98 0.00 0.00 1.01 0.00 0.00 58.87 56.88 1iri n SER 160 Cb 0.19 -0.68 0.00 0.00 -1.01 0.00 0.00 64.21 62.72 1iri n SER 160 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 1iri n ASP 161 N 0.41 -0.72 -0.25 6.43 2.03 -0.72 -4.09 116.55 119.64 1iri n ASP 161 Ca 0.29 0.50 -0.06 0.00 0.52 0.00 0.00 54.79 56.03 1iri n ASP 161 Cb 1.19 0.86 0.05 0.00 -0.72 0.00 0.00 41.12 42.50 1iri n ASP 161 CO 0.00 0.00 0.00 0.25 -1.92 0.00 0.00 177.20 175.53 1iri h LEU 162 N 0.00 0.83 0.10 -2.67 5.85 -1.57 -1.38 115.31 116.47 1iri h LEU 162 Ca 0.00 -0.07 0.00 0.00 0.84 0.00 0.00 57.88 58.65 1iri h LEU 162 Cb 0.00 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 40.80 1iri h LEU 162 CO 0.00 0.66 -0.20 1.23 -0.34 0.00 0.00 178.44 179.79 1iri h GLY 163 N 0.93 -1.11 1.43 3.75 0.00 -1.81 0.71 103.07 106.98 1iri h GLY 163 Ca 0.24 0.52 0.01 0.00 0.00 0.00 0.00 47.33 48.11 1iri h GLY 163 CO -0.04 -0.36 0.36 -2.55 0.00 0.00 0.00 176.54 173.94 1iri h PRO 164 N -0.33 0.68 0.24 4.80 0.11 -1.87 -0.31 132.00 135.32 1iri h PRO 164 Ca -0.01 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 66.05 1iri h PRO 164 Cb 0.31 -0.15 0.00 0.00 0.11 0.00 0.00 31.00 31.27 1iri h PRO 164 CO -0.08 0.45 -0.11 1.25 -0.21 0.00 0.00 178.00 179.29 1iri h LEU 165 N 0.70 -0.27 -0.50 2.35 6.46 -1.06 -1.39 115.31 121.61 1iri h LEU 165 Ca 0.20 -0.05 0.04 0.00 -0.12 0.00 0.00 57.88 57.96 1iri h LEU 165 Cb -0.03 0.07 -0.04 0.00 -0.73 0.00 0.00 40.66 39.93 1iri h LEU 165 CO -0.05 -0.13 0.25 -0.03 -0.62 0.00 0.00 178.44 177.87 1iri h MET 166 N -0.39 0.48 -0.37 1.25 4.05 -0.20 -0.84 114.93 118.91 1iri h MET 166 Ca -0.03 -0.03 -0.12 0.00 -0.28 0.00 0.00 59.70 59.23 1iri h MET 166 Cb 0.30 -0.11 -0.01 0.00 -0.80 0.00 0.00 31.60 30.98 1iri h MET 166 CO 0.05 0.32 -0.25 0.28 0.23 0.00 0.00 176.91 177.54 1iri h VAL 167 N 0.50 1.28 -0.39 -5.77 2.07 -1.05 0.13 116.25 113.01 1iri h VAL 167 Ca 0.22 -1.41 -0.09 0.00 0.82 0.00 0.00 66.70 66.24 1iri h VAL 167 Cb 0.12 1.37 -0.01 0.00 -1.52 0.00 0.00 31.29 31.26 1iri h VAL 167 CO -0.15 0.47 -0.12 0.71 0.02 0.00 0.00 177.57 178.49 1iri h THR 168 N 0.62 1.28 -0.39 2.57 1.35 -1.02 0.26 112.91 117.57 1iri h THR 168 Ca 0.07 -1.22 0.04 0.00 -0.55 0.00 0.00 66.41 64.75 1iri h THR 168 Cb 0.82 1.25 -0.04 0.00 -1.73 0.00 0.00 68.15 68.46 1iri h THR 168 CO 0.07 0.41 0.17 -0.33 -0.25 0.00 0.00 175.52 175.59 1iri h GLU 169 N 0.58 0.34 0.00 4.72 4.39 -1.05 -0.91 114.58 122.65 1iri h GLU 169 Ca 0.10 -0.02 -0.04 0.00 0.34 0.00 0.00 59.36 59.74 1iri h GLU 169 Cb 0.65 -0.08 -0.01 0.00 -0.10 0.00 0.00 28.75 29.22 1iri h GLU 169 CO 0.04 0.23 -0.18 0.00 -1.16 0.00 0.00 179.01 177.94 1iri h ALA 170 N 1.23 1.13 -0.22 3.43 0.00 -0.00 -3.06 119.26 121.78 1iri h ALA 170 Ca 0.17 -0.17 -0.07 0.00 0.00 0.00 0.00 54.91 54.84 1iri h ALA 170 Cb 0.12 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 17.84 1iri h ALA 170 CO -0.15 0.23 -0.10 1.28 0.00 0.00 0.00 179.25 180.51 1iri n LEU 171 N -3.51 3.55 -0.34 0.00 4.77 0.84 -4.77 117.00 117.54 1iri n LEU 171 Ca -0.01 -3.45 0.21 0.00 -0.03 0.00 0.00 56.01 52.73 1iri n LEU 171 Cb 0.34 -0.56 0.44 0.00 -2.33 0.00 0.00 43.42 41.32 1iri n LEU 171 CO 0.32 1.01 1.17 0.50 -1.33 0.00 0.00 177.39 179.06 1iri h LYS 172 N 1.04 0.46 0.00 3.23 1.63 -1.08 0.17 116.57 122.02 1iri h LYS 172 Ca 0.09 -0.03 0.00 0.00 -0.85 0.00 0.00 60.65 59.86 1iri h LYS 172 Cb 1.39 -0.10 0.00 0.00 -0.60 0.00 0.00 32.23 32.92 1iri h LYS 172 CO 0.22 0.30 0.00 -1.35 -3.45 0.00 0.00 179.45 175.18 1iri h PRO 173 N 0.47 0.00 -0.84 1.90 0.11 -1.88 -2.43 132.00 129.33 1iri h PRO 173 Ca 0.65 0.00 -0.22 0.00 0.11 0.00 0.00 66.00 66.55 1iri h PRO 173 Cb 1.43 0.00 -0.13 0.00 0.11 0.00 0.00 31.00 32.40 1iri h PRO 173 CO -0.45 0.00 0.28 0.66 -0.21 0.00 0.00 178.00 178.28 1iri n TYR 174 N -2.67 2.09 0.16 0.65 4.02 0.58 -4.37 117.16 117.62 1iri n TYR 174 Ca -0.01 -1.11 0.05 0.00 -0.01 0.00 0.00 57.90 56.83 1iri n TYR 174 Cb 0.14 -0.63 0.08 0.00 -0.02 0.00 0.00 39.34 38.91 1iri n TYR 174 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 176.86 174.72 1iri n SER 175 N -0.19 2.27 -4.73 7.72 3.41 -0.91 -4.32 113.62 116.86 1iri n SER 175 Ca 0.36 -1.67 -0.42 0.00 -0.26 0.00 0.00 58.87 56.87 1iri n SER 175 Cb 1.24 -0.09 -0.02 0.00 -0.26 0.00 0.00 64.21 65.08 1iri n SER 175 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 1iri n SER 176 N 0.48 3.78 0.00 4.04 2.88 -1.26 -0.53 113.62 123.01 1iri n SER 176 Ca 0.08 1.12 0.00 0.00 -1.33 0.00 0.00 58.87 58.74 1iri n SER 176 Cb 0.32 -1.57 0.00 0.00 -0.75 0.00 0.00 64.21 62.21 1iri n SER 176 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1iri n GLY 177 N 2.71 1.39 3.98 0.46 0.00 -1.26 -5.03 105.19 107.44 1iri n GLY 177 Ca 0.11 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.93 1iri n GLY 177 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1iri s GLY 178 N -1.84 1.50 0.36 -0.02 0.00 0.31 -4.99 107.32 102.64 1iri s GLY 178 Ca 0.00 -1.34 -0.19 0.00 0.00 0.00 0.00 44.72 43.19 1iri s GLY 178 CO 0.00 -1.27 0.85 2.56 0.00 0.00 0.00 173.10 175.24 1iri s PRO 179 N -4.18 4.19 0.58 2.90 0.04 -1.26 -5.03 135.00 132.23 1iri s PRO 179 Ca 0.43 0.96 -0.20 0.00 0.04 0.00 0.00 61.00 62.23 1iri s PRO 179 Cb -0.09 -2.41 -0.05 0.00 0.04 0.00 0.00 34.50 31.99 1iri s PRO 179 CO 0.32 0.11 1.11 0.54 0.04 0.00 0.00 177.00 179.12 1iri n ARG 180 N -0.27 1.16 -4.80 4.56 1.74 -0.68 -4.63 116.66 113.73 1iri n ARG 180 Ca 0.04 0.44 -0.32 0.00 -0.77 0.00 0.00 57.85 57.24 1iri n ARG 180 Cb 0.53 -2.30 -0.13 0.00 -1.02 0.00 0.00 32.46 29.54 1iri n ARG 180 CO 0.00 0.00 0.00 0.14 -1.52 0.00 0.00 177.63 176.25 1iri s VAL 181 N -1.42 3.09 0.05 1.55 -7.23 -1.26 -0.20 120.40 114.99 1iri s VAL 181 Ca 0.75 -0.81 0.06 0.00 -1.81 0.00 0.00 61.98 60.17 1iri s VAL 181 Cb -0.43 -2.24 -0.03 0.00 0.56 0.00 0.00 36.38 34.25 1iri s VAL 181 CO 0.47 0.52 -0.17 0.26 -0.31 0.00 0.00 175.10 175.88 1iri s TRP 182 N -0.80 1.52 -0.24 2.82 0.52 0.26 -4.92 118.94 118.11 1iri s TRP 182 Ca 0.13 -0.38 0.00 0.00 0.02 0.00 0.00 56.10 55.87 1iri s TRP 182 Cb -0.11 -0.89 0.06 0.00 -1.15 0.00 0.00 33.47 31.39 1iri s TRP 182 CO 0.02 0.08 -0.03 0.71 0.02 0.00 0.00 176.95 177.76 1iri s TYR 183 N -0.92 2.19 -0.18 -1.98 1.51 -1.26 -0.50 117.35 116.22 1iri s TYR 183 Ca 0.04 -1.66 -0.04 0.00 -1.01 0.00 0.00 57.07 54.41 1iri s TYR 183 Cb -0.09 -1.54 -0.02 0.00 -0.11 0.00 0.00 41.96 40.20 1iri s TYR 183 CO 0.02 -0.76 -0.04 0.08 -1.11 0.00 0.00 175.55 173.74 1iri s VAL 184 N 1.46 3.69 0.00 0.71 1.01 -0.67 -4.97 120.40 121.63 1iri s VAL 184 Ca -0.04 -0.42 0.00 0.00 0.00 0.00 0.00 61.98 61.53 1iri s VAL 184 Cb -0.19 -2.63 0.00 0.00 0.00 0.00 0.00 36.38 33.56 1iri s VAL 184 CO -0.07 0.47 0.00 -1.54 0.00 0.00 0.00 175.10 173.95 1iri n SER 185 N 3.97 0.00 -4.76 3.32 3.41 -1.25 -1.99 113.62 116.32 1iri n SER 185 Ca -0.18 0.00 -0.39 0.00 -0.26 0.00 0.00 58.87 58.05 1iri n SER 185 Cb 0.52 0.09 0.01 0.00 -0.26 0.00 0.00 64.21 64.58 1iri n SER 185 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 175.04 175.09 1iri s ASN 186 N -4.37 5.85 0.38 4.04 3.04 -1.26 -4.63 114.94 117.99 1iri s ASN 186 Ca 0.00 2.65 0.16 0.00 0.04 0.00 0.00 52.86 55.71 1iri s ASN 186 Cb 0.00 -2.63 0.74 0.00 -1.54 0.00 0.00 41.25 37.82 1iri s ASN 186 CO 0.00 -1.16 1.79 -0.29 -3.04 0.00 0.00 177.10 174.40 1iri h ILE 187 N 1.95 1.08 -1.22 -5.21 6.09 -1.99 -3.44 117.51 114.77 1iri h ILE 187 Ca -0.50 -1.40 -0.82 0.00 -1.37 0.00 0.00 64.86 60.78 1iri h ILE 187 Cb 1.27 1.80 0.02 0.00 0.47 0.00 0.00 36.82 40.37 1iri h ILE 187 CO 0.60 0.37 0.72 -0.67 -3.07 0.00 0.00 178.15 176.10 1iri n ASP 188 N -3.81 1.57 0.30 2.19 4.64 -1.26 -4.74 116.55 115.44 1iri n ASP 188 Ca -0.01 1.14 0.19 0.00 -1.38 0.00 0.00 54.79 54.73 1iri n ASP 188 Cb 0.45 -0.99 0.86 0.00 -1.04 0.00 0.00 41.12 40.40 1iri n ASP 188 CO 0.00 0.00 0.00 1.23 -0.82 0.00 0.00 177.20 177.61 1iri h GLY 189 N 5.65 0.00 -0.02 0.27 0.00 -2.03 -2.51 103.07 104.44 1iri h GLY 189 Ca -0.45 0.00 0.20 0.00 0.00 0.00 0.00 47.33 47.07 1iri h GLY 189 CO 0.94 0.00 0.46 -0.84 0.00 0.00 0.00 176.54 177.10 1iri h THR 190 N 0.00 0.59 0.71 4.70 2.02 -1.93 -0.92 112.91 118.07 1iri h THR 190 Ca -0.00 -0.18 -0.03 0.00 0.77 0.00 0.00 66.41 66.96 1iri h THR 190 Cb 0.34 0.01 0.00 0.00 -1.74 0.00 0.00 68.15 66.76 1iri h THR 190 CO 0.00 0.10 -0.36 -0.74 0.37 0.00 0.00 175.52 174.89 1iri h HIS 191 N 0.54 -0.94 -0.65 3.16 2.76 -1.75 0.48 115.15 118.75 1iri h HIS 191 Ca 0.54 -0.02 0.00 0.00 -2.20 0.00 0.00 60.37 58.70 1iri h HIS 191 Cb 0.94 0.32 -0.03 0.00 1.55 0.00 0.00 27.41 30.18 1iri h HIS 191 CO -0.09 -0.57 0.43 0.97 -1.30 0.00 0.00 177.93 177.37 1iri h ILE 192 N -0.97 1.17 -0.76 6.26 6.09 -1.75 -2.73 117.51 124.83 1iri h ILE 192 Ca -0.10 -0.32 0.03 0.00 -1.37 0.00 0.00 64.86 63.10 1iri h ILE 192 Cb 0.75 0.22 -0.05 0.00 0.47 0.00 0.00 36.82 38.22 1iri h ILE 192 CO 0.15 0.17 0.48 0.00 -3.07 0.00 0.00 178.15 175.88 1iri h ALA 193 N 1.23 0.99 0.00 0.18 0.00 -1.03 -0.75 119.26 119.89 1iri h ALA 193 Ca 0.24 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 55.07 1iri h ALA 193 Cb -0.09 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.43 1iri h ALA 193 CO -0.05 0.29 -0.22 0.87 0.00 0.00 0.00 179.25 180.14 1iri h LYS 194 N 0.95 0.00 0.06 0.00 1.79 -0.80 -2.92 116.57 115.65 1iri h LYS 194 Ca 0.30 0.00 -0.00 0.00 -2.18 0.00 0.00 60.65 58.77 1iri h LYS 194 Cb -0.01 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.65 1iri h LYS 194 CO -0.10 0.22 -0.03 1.15 -1.08 0.00 0.00 179.45 179.61 1iri h THR 195 N 0.00 0.00 -1.06 -0.16 2.02 -1.05 -3.33 112.91 109.33 1iri h THR 195 Ca -0.00 -0.51 0.32 0.00 0.77 0.00 0.00 66.41 66.99 1iri h THR 195 Cb 0.90 0.00 -0.13 0.00 -1.74 0.00 0.00 68.15 67.18 1iri h THR 195 CO 0.03 0.00 0.64 -0.07 0.37 0.00 0.00 175.52 176.49 1iri h LEU 196 N -0.60 0.48 -0.95 2.58 3.38 -1.28 0.43 115.31 119.35 1iri h LEU 196 Ca -0.01 0.16 0.00 0.00 0.09 0.00 0.00 57.88 58.12 1iri h LEU 196 Cb 0.07 0.10 0.00 0.00 0.09 0.00 0.00 40.66 40.92 1iri h LEU 196 CO 0.01 -0.08 0.00 0.00 0.09 0.00 0.00 178.44 178.46 1iri n ALA 197 N -2.36 1.20 0.03 1.53 0.00 -1.10 -0.98 120.51 118.83 1iri n ALA 197 Ca 0.31 0.13 0.07 0.00 0.00 0.00 0.00 53.44 53.94 1iri n ALA 197 Cb 1.02 -1.27 0.14 0.00 0.00 0.00 0.00 19.45 19.34 1iri n ALA 197 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1iri n GLN 198 N -2.08 2.20 -4.39 0.00 6.02 0.15 -5.02 117.38 114.27 1iri n GLN 198 Ca -0.00 -1.87 -0.29 0.00 -0.01 0.00 0.00 57.00 54.82 1iri n GLN 198 Cb 0.08 -1.30 -0.13 0.00 1.02 0.00 0.00 30.24 29.91 1iri n GLN 198 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 1iri s LEU 199 N -1.03 2.43 -0.26 1.08 1.43 -0.15 -5.12 118.68 117.06 1iri s LEU 199 Ca 0.24 -0.69 -0.09 0.00 -1.03 0.00 0.00 54.13 52.56 1iri s LEU 199 Cb 0.13 -1.32 -0.04 0.00 0.03 0.00 0.00 46.19 44.99 1iri s LEU 199 CO 0.18 0.18 0.13 0.21 0.23 0.00 0.00 176.35 177.28 1iri s ASN 200 N -2.05 5.61 0.59 2.29 3.84 -1.26 -4.97 114.94 118.99 1iri s ASN 200 Ca 0.15 -0.08 0.31 0.00 0.21 0.00 0.00 52.86 53.45 1iri s ASN 200 Cb -0.10 -2.02 1.84 0.00 -0.55 0.00 0.00 41.25 40.42 1iri s ASN 200 CO 0.07 -0.02 2.24 -0.65 -2.79 0.00 0.00 177.10 175.95 1iri h PRO 201 N 8.11 0.00 -0.16 0.43 0.11 -1.95 -2.16 132.00 136.39 1iri h PRO 201 Ca -0.37 0.00 -0.14 0.00 0.11 0.00 0.00 66.00 65.60 1iri h PRO 201 Cb 1.18 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.28 1iri h PRO 201 CO 0.58 0.02 -0.51 0.93 -0.21 0.00 0.00 178.00 178.81 1iri h GLU 202 N 0.00 0.43 -0.33 1.05 5.08 -1.99 -3.28 114.58 115.55 1iri h GLU 202 Ca -0.00 -0.25 0.00 0.00 -1.00 0.00 0.00 59.36 58.11 1iri h GLU 202 Cb 0.06 0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.33 1iri h GLU 202 CO 0.00 0.84 0.00 -1.13 -1.00 0.00 0.00 179.01 177.72 1iri n SER 203 N -3.96 3.92 -4.42 1.42 3.41 -0.84 -4.15 113.62 109.01 1iri n SER 203 Ca -0.02 -2.79 -0.30 0.00 -0.26 0.00 0.00 58.87 55.50 1iri n SER 203 Cb 0.57 -0.50 -0.13 0.00 -0.26 0.00 0.00 64.21 63.89 1iri n SER 203 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 1iri s SER 204 N -1.60 3.51 -0.09 4.04 0.01 -1.03 -0.84 113.70 117.69 1iri s SER 204 Ca 0.40 -0.61 0.01 0.00 1.31 0.00 0.00 55.95 57.06 1iri s SER 204 Cb 0.31 -0.38 0.02 0.00 0.21 0.00 0.00 66.02 66.17 1iri s SER 204 CO 0.12 0.21 -0.10 -0.22 0.41 0.00 0.00 173.24 173.65 1iri s LEU 205 N -1.80 1.45 -0.06 2.44 2.96 -0.48 -4.80 118.68 118.39 1iri s LEU 205 Ca 0.15 -0.32 -0.04 0.00 -0.22 0.00 0.00 54.13 53.70 1iri s LEU 205 Cb -0.10 -0.86 -0.04 0.00 0.50 0.00 0.00 46.19 45.69 1iri s LEU 205 CO 0.06 -0.04 0.13 -0.36 -1.32 0.00 0.00 176.35 174.82 1iri s PHE 206 N 1.19 3.49 -0.17 5.38 0.40 -0.27 -1.32 117.98 126.68 1iri s PHE 206 Ca -0.04 0.39 0.00 0.00 -0.60 0.00 0.00 56.93 56.68 1iri s PHE 206 Cb -0.14 -1.86 0.04 0.00 0.51 0.00 0.00 43.02 41.57 1iri s PHE 206 CO -0.03 0.65 -0.10 0.42 0.70 0.00 0.00 175.22 176.87 1iri s ILE 207 N -1.14 1.42 -0.51 0.64 1.01 -0.07 -2.03 121.20 120.52 1iri s ILE 207 Ca 0.20 -0.74 -0.17 0.00 0.00 0.00 0.00 60.65 59.94 1iri s ILE 207 Cb -0.12 -1.47 0.09 0.00 0.01 0.00 0.00 42.46 40.96 1iri s ILE 207 CO 0.10 0.25 0.52 -0.63 0.00 0.00 0.00 174.94 175.19 1iri s ILE 208 N 1.51 5.08 -0.34 2.92 -1.09 -0.88 -0.12 121.20 128.28 1iri s ILE 208 Ca 0.01 -1.00 -0.11 0.00 -2.23 0.00 0.00 60.65 57.32 1iri s ILE 208 Cb -0.15 -4.27 -0.00 0.00 -1.58 0.00 0.00 42.46 36.46 1iri s ILE 208 CO -0.09 -0.78 0.19 0.00 -1.23 0.00 0.00 174.94 173.04 1iri s ALA 209 N 2.04 3.35 -0.30 9.38 0.00 0.37 -1.81 121.76 134.79 1iri s ALA 209 Ca 0.08 -1.47 -0.11 0.00 0.00 0.00 0.00 51.96 50.45 1iri s ALA 209 Cb -0.24 -2.53 0.16 0.00 0.00 0.00 0.00 23.12 20.51 1iri s ALA 209 CO 0.07 -1.05 0.81 0.45 0.00 0.00 0.00 175.76 176.04 1iri s SER 210 N 1.63 -0.90 0.14 0.00 0.15 -0.89 -4.12 113.70 109.71 1iri s SER 210 Ca 0.04 1.08 -0.18 0.00 0.70 0.00 0.00 55.95 57.59 1iri s SER 210 Cb -0.18 1.96 -0.01 0.00 -1.71 0.00 0.00 66.02 66.09 1iri s SER 210 CO 0.08 -0.17 1.77 0.50 1.20 0.00 0.00 173.24 176.61 1iri h LYS 211 N 7.80 0.28 0.00 5.44 3.64 -1.96 -2.96 116.57 128.81 1iri h LYS 211 Ca -0.17 -0.02 -0.16 0.00 -1.27 0.00 0.00 60.65 59.03 1iri h LYS 211 Cb 1.12 -0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 32.85 1iri h LYS 211 CO 0.10 0.18 -0.93 1.79 -2.27 0.00 0.00 179.45 178.32 1iri h THR 212 N 0.29 0.96 -2.39 1.00 1.35 -1.97 -2.61 112.91 109.55 1iri h THR 212 Ca 0.12 -2.47 -0.39 0.00 -0.55 0.00 0.00 66.41 63.12 1iri h THR 212 Cb 0.04 2.42 -0.07 0.00 -1.73 0.00 0.00 68.15 68.82 1iri h THR 212 CO -0.09 0.55 -0.45 0.33 -0.25 0.00 0.00 175.52 175.61 1iri n PHE 213 N -3.16 -0.71 -0.14 4.73 -0.00 -1.12 -4.76 117.46 112.31 1iri n PHE 213 Ca -0.03 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.42 1iri n PHE 213 Cb 0.83 -3.62 0.00 0.00 -0.00 0.00 0.00 39.48 36.69 1iri n PHE 213 CO 0.00 0.00 0.00 0.25 -0.00 0.00 0.00 176.76 177.01 1iri n THR 214 N -3.32 0.00 -1.68 -2.13 -2.24 -1.26 -4.90 114.28 98.75 1iri n THR 214 Ca -0.22 -0.31 -0.49 0.00 -2.27 0.00 0.00 64.05 60.76 1iri n THR 214 Cb 0.66 1.14 -0.05 0.00 -2.10 0.00 0.00 70.33 69.99 1iri n THR 214 CO 0.00 0.00 0.00 0.41 -0.57 0.00 0.00 175.07 174.91 1iri n THR 215 N -0.39 0.35 -0.11 4.28 -1.04 -1.26 -4.84 114.28 111.28 1iri n THR 215 Ca 0.00 -0.06 -0.05 0.00 -2.04 0.00 0.00 64.05 61.89 1iri n THR 215 Cb 0.04 -1.62 0.01 0.00 -1.82 0.00 0.00 70.33 66.93 1iri n THR 215 CO 0.00 0.00 0.00 -0.61 -0.64 0.00 0.00 175.07 173.82 1iri h GLN 216 N 7.73 -0.05 -0.04 -2.82 4.15 -1.97 -1.64 115.11 120.45 1iri h GLN 216 Ca -0.47 0.00 0.03 0.00 0.77 0.00 0.00 58.65 58.99 1iri h GLN 216 Cb 1.28 0.01 -0.04 0.00 0.21 0.00 0.00 27.48 28.94 1iri h GLN 216 CO 0.92 -0.04 -0.20 0.93 -1.93 0.00 0.00 178.83 178.51 1iri h GLU 217 N -0.06 -0.29 -0.50 1.69 3.07 -1.94 -2.27 114.58 114.29 1iri h GLU 217 Ca 0.18 0.02 -0.09 0.00 -0.50 0.00 0.00 59.36 58.97 1iri h GLU 217 Cb 0.33 0.07 -0.02 0.00 -0.84 0.00 0.00 28.75 28.29 1iri h GLU 217 CO -0.41 -0.19 -0.05 1.15 -1.40 0.00 0.00 179.01 178.11 1iri h THR 218 N -0.30 1.27 -0.22 1.13 2.02 -1.67 -2.33 112.91 112.80 1iri h THR 218 Ca 0.07 -1.15 -0.03 0.00 0.77 0.00 0.00 66.41 66.07 1iri h THR 218 Cb 0.40 1.01 -0.01 0.00 -1.74 0.00 0.00 68.15 67.81 1iri h THR 218 CO -0.22 0.40 0.03 0.40 0.37 0.00 0.00 175.52 176.51 1iri h ILE 219 N 0.77 1.23 0.04 3.11 1.08 -1.30 0.88 117.51 123.32 1iri h ILE 219 Ca 0.14 -0.76 0.02 0.00 -0.39 0.00 0.00 64.86 63.87 1iri h ILE 219 Cb 0.58 1.31 -0.03 0.00 -3.07 0.00 0.00 36.82 35.61 1iri h ILE 219 CO 0.03 0.24 -0.16 0.74 -0.69 0.00 0.00 178.15 178.31 1iri h THR 220 N 0.16 0.63 -0.08 -0.27 2.02 -1.34 1.46 112.91 115.48 1iri h THR 220 Ca 0.07 0.00 0.02 0.00 0.77 0.00 0.00 66.41 67.27 1iri h THR 220 Cb 0.32 0.63 -0.02 0.00 -1.74 0.00 0.00 68.15 67.34 1iri h THR 220 CO 0.00 0.00 -0.05 0.78 0.37 0.00 0.00 175.52 176.62 1iri h ASN 221 N -0.28 -0.16 -0.43 4.18 2.35 -1.40 0.13 115.58 119.96 1iri h ASN 221 Ca 0.04 0.04 0.09 0.00 -0.55 0.00 0.00 56.30 55.91 1iri h ASN 221 Cb 0.33 0.09 -0.09 0.00 0.05 0.00 0.00 38.32 38.69 1iri h ASN 221 CO -0.12 -0.07 -0.17 0.00 -1.65 0.00 0.00 177.43 175.41 1iri h ALA 222 N 1.01 0.17 -0.65 -0.83 0.00 -0.17 0.31 119.26 119.11 1iri h ALA 222 Ca 0.05 0.16 0.08 0.00 0.00 0.00 0.00 54.91 55.19 1iri h ALA 222 Cb 0.13 0.44 -0.04 0.00 0.00 0.00 0.00 17.79 18.32 1iri h ALA 222 CO -0.11 -0.52 0.43 0.93 0.00 0.00 0.00 179.25 179.98 1iri h GLU 223 N -0.08 0.57 -0.10 0.00 5.08 0.29 -1.65 114.58 118.68 1iri h GLU 223 Ca 0.21 -0.03 -0.20 0.00 -1.00 0.00 0.00 59.36 58.34 1iri h GLU 223 Cb 0.40 -0.13 -0.00 0.00 0.50 0.00 0.00 28.75 29.52 1iri h GLU 223 CO -0.48 0.38 -0.75 1.15 -1.00 0.00 0.00 179.01 178.30 1iri h THR 224 N 0.58 1.35 -0.22 1.13 2.02 0.20 -1.66 112.91 116.31 1iri h THR 224 Ca 0.29 -2.10 -0.04 0.00 0.77 0.00 0.00 66.41 65.33 1iri h THR 224 Cb 0.37 2.08 -0.01 0.00 -1.74 0.00 0.00 68.15 68.85 1iri h THR 224 CO -0.09 0.64 -0.02 0.00 0.37 0.00 0.00 175.52 176.41 1iri h ALA 225 N 0.83 0.30 -0.51 6.16 0.00 0.13 -1.90 119.26 124.26 1iri h ALA 225 Ca -0.04 -0.23 0.03 0.00 0.00 0.00 0.00 54.91 54.67 1iri h ALA 225 Cb 1.34 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 19.01 1iri h ALA 225 CO 0.14 0.05 0.29 -0.22 0.00 0.00 0.00 179.25 179.51 1iri h LYS 226 N 0.15 0.56 -0.75 0.00 3.64 -1.28 0.17 116.57 119.06 1iri h LYS 226 Ca 0.06 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.41 1iri h LYS 226 Cb 0.45 -0.13 -0.04 0.00 -0.41 0.00 0.00 32.23 32.11 1iri h LYS 226 CO 0.02 0.37 0.47 1.49 -2.27 0.00 0.00 179.45 179.53 1iri h GLU 227 N 0.57 1.00 -0.08 1.90 4.81 -1.13 0.14 114.58 121.80 1iri h GLU 227 Ca 0.21 -0.07 -0.16 0.00 -0.13 0.00 0.00 59.36 59.21 1iri h GLU 227 Cb 0.06 -0.22 -0.01 0.00 0.63 0.00 0.00 28.75 29.22 1iri h GLU 227 CO -0.12 0.68 -0.63 2.35 -0.73 0.00 0.00 179.01 180.57 1iri h TRP 228 N 1.02 0.40 -0.20 0.92 7.01 -0.53 -0.82 115.95 123.76 1iri h TRP 228 Ca 0.27 -0.16 -0.08 0.00 2.11 0.00 0.00 58.89 61.04 1iri h TRP 228 Cb -0.08 -0.07 -0.00 0.00 -2.10 0.00 0.00 29.16 26.91 1iri h TRP 228 CO 0.00 0.85 -0.18 0.35 -2.79 0.00 0.00 178.44 176.67 1iri h PHE 229 N 0.23 0.56 -0.58 2.65 3.57 0.42 -3.25 116.94 120.54 1iri h PHE 229 Ca -0.01 -0.16 -0.11 0.00 3.53 0.00 0.00 57.97 61.22 1iri h PHE 229 Cb 1.15 -0.12 -0.02 0.00 2.79 0.00 0.00 35.95 39.75 1iri h PHE 229 CO 0.03 0.82 -0.06 -0.07 -2.23 0.00 0.00 178.31 176.80 1iri h LEU 230 N 0.15 1.06 -1.75 0.59 3.38 -0.76 -0.66 115.31 117.31 1iri h LEU 230 Ca 0.03 -0.33 0.23 0.00 0.09 0.00 0.00 57.88 57.91 1iri h LEU 230 Cb 0.71 -0.29 -0.03 0.00 0.09 0.00 0.00 40.66 41.15 1iri h LEU 230 CO 0.05 1.13 0.77 1.56 0.09 0.00 0.00 178.44 182.04 1iri h GLN 231 N 0.95 0.00 0.00 1.13 4.20 -1.17 -0.18 115.11 120.04 1iri h GLN 231 Ca 0.16 0.00 -0.30 0.00 0.06 0.00 0.00 58.65 58.57 1iri h GLN 231 Cb 0.63 0.00 -0.05 0.00 0.30 0.00 0.00 27.48 28.35 1iri h GLN 231 CO 0.04 0.00 -2.14 0.00 -0.67 0.00 0.00 178.83 176.07 1iri n ALA 232 N -2.44 1.57 0.09 3.87 0.00 -0.79 -4.69 120.51 118.11 1iri n ALA 232 Ca 0.17 -0.85 0.10 0.00 0.00 0.00 0.00 53.44 52.85 1iri n ALA 232 Cb 1.04 0.04 -0.02 0.00 0.00 0.00 0.00 19.45 20.51 1iri n ALA 232 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1iri n ALA 233 N -3.09 2.46 -3.26 0.00 0.00 -0.32 -5.02 120.51 111.28 1iri n ALA 233 Ca -0.35 -0.30 -0.29 0.00 0.00 0.00 0.00 53.44 52.50 1iri n ALA 233 Cb 0.88 -1.06 0.02 0.00 0.00 0.00 0.00 19.45 19.29 1iri n ALA 233 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1iri n LYS 234 N -2.68 -1.49 0.00 0.00 5.02 -0.11 -4.90 118.16 114.01 1iri n LYS 234 Ca -0.02 0.98 0.00 0.00 -2.02 0.00 0.00 58.31 57.25 1iri n LYS 234 Cb 0.59 -1.71 0.00 0.00 -0.02 0.00 0.00 35.03 33.89 1iri n LYS 234 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 1iri n ASP 235 N -0.71 0.00 0.31 4.39 2.03 -1.26 -5.04 116.55 116.26 1iri n ASP 235 Ca -0.14 0.00 0.06 0.00 0.52 0.00 0.00 54.79 55.23 1iri n ASP 235 Cb 0.57 0.00 0.33 0.00 -0.72 0.00 0.00 41.12 41.31 1iri n ASP 235 CO 0.00 0.00 0.00 -0.65 -1.92 0.00 0.00 177.20 174.63 1iri h PRO 236 N 0.00 0.00 -0.00 -0.67 0.11 -1.98 0.18 132.00 129.63 1iri h PRO 236 Ca 0.00 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 1iri h PRO 236 Cb 0.00 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.11 1iri h PRO 236 CO 0.00 0.00 -0.35 0.43 -0.21 0.00 0.00 178.00 177.87 1iri n SER 237 N -2.55 0.61 0.13 -2.05 7.64 -1.26 -3.57 113.62 112.57 1iri n SER 237 Ca -0.01 -0.41 -0.01 0.00 1.01 0.00 0.00 58.87 59.45 1iri n SER 237 Cb 0.70 0.12 0.13 0.00 -1.01 0.00 0.00 64.21 64.15 1iri n SER 237 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1iri h ALA 238 N 3.26 0.83 -1.12 -0.43 0.00 -1.04 -3.08 119.26 117.68 1iri h ALA 238 Ca 0.00 -0.60 0.40 0.00 0.00 0.00 0.00 54.91 54.72 1iri h ALA 238 Cb 0.49 -0.10 -0.13 0.00 0.00 0.00 0.00 17.79 18.05 1iri h ALA 238 CO 0.00 0.82 0.70 0.28 0.00 0.00 0.00 179.25 181.05 1iri n VAL 239 N -3.63 -0.25 0.39 0.00 0.31 -1.23 0.97 118.33 114.89 1iri n VAL 239 Ca -0.01 1.59 0.13 0.00 -0.01 0.00 0.00 64.34 66.05 1iri n VAL 239 Cb 0.67 -2.60 0.52 0.00 -0.91 0.00 0.00 33.84 31.53 1iri n VAL 239 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1iri h ALA 240 N 1.44 1.00 -0.09 3.52 0.00 -1.79 -1.02 119.26 122.31 1iri h ALA 240 Ca 0.75 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.66 1iri h ALA 240 Cb 2.34 0.00 0.00 0.00 0.00 0.00 0.00 17.79 20.13 1iri h ALA 240 CO -0.45 0.00 0.00 1.63 0.00 0.00 0.00 179.25 180.43 1iri n LYS 241 N -2.45 2.31 0.00 0.00 5.02 0.27 -4.55 118.16 118.75 1iri n LYS 241 Ca 0.02 -1.91 0.00 0.00 -2.02 0.00 0.00 58.31 54.40 1iri n LYS 241 Cb 0.27 -1.47 0.00 0.00 -0.02 0.00 0.00 35.03 33.81 1iri n LYS 241 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 1iri n HIS 242 N 1.28 0.00 -3.73 2.13 8.25 -0.87 -4.85 115.22 117.43 1iri n HIS 242 Ca 0.15 0.00 -0.14 0.00 -0.26 0.00 0.00 57.72 57.48 1iri n HIS 242 Cb 0.58 0.01 -0.14 0.00 1.12 0.00 0.00 29.99 31.56 1iri n HIS 242 CO 0.00 0.00 0.00 -0.06 0.64 0.00 0.00 176.34 176.92 1iri s PHE 243 N 0.00 -0.22 0.35 4.41 0.08 -0.44 -1.12 117.98 121.04 1iri s PHE 243 Ca 0.00 0.59 0.03 0.00 0.12 0.00 0.00 56.93 57.67 1iri s PHE 243 Cb 0.00 -0.07 -0.05 0.00 -0.57 0.00 0.00 43.02 42.33 1iri s PHE 243 CO 0.00 -0.20 0.09 0.14 -0.10 0.00 0.00 175.22 175.15 1iri s VAL 244 N 1.38 0.86 0.00 -0.44 -7.23 -0.86 -4.73 120.40 109.38 1iri s VAL 244 Ca -0.07 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.10 1iri s VAL 244 Cb -0.11 -2.60 -0.00 0.00 0.56 0.00 0.00 36.38 34.23 1iri s VAL 244 CO -0.07 0.00 -0.01 0.00 -0.31 0.00 0.00 175.10 174.71 1iri s ALA 245 N -3.34 0.07 -0.32 1.32 0.00 0.14 -2.08 121.76 117.55 1iri s ALA 245 Ca 0.32 -0.05 -0.01 0.00 0.00 0.00 0.00 51.96 52.21 1iri s ALA 245 Cb 0.06 -0.01 0.07 0.00 0.00 0.00 0.00 23.12 23.24 1iri s ALA 245 CO 0.15 0.01 0.04 -0.51 0.00 0.00 0.00 175.76 175.45 1iri s LEU 246 N -0.07 4.23 0.19 0.00 1.43 -0.75 0.17 118.68 123.88 1iri s LEU 246 Ca -0.00 -1.50 -0.24 0.00 -1.03 0.00 0.00 54.13 51.36 1iri s LEU 246 Cb -0.01 -1.72 0.05 0.00 0.03 0.00 0.00 46.19 44.54 1iri s LEU 246 CO -0.00 -0.33 0.85 -0.55 0.23 0.00 0.00 176.35 176.55 1iri s SER 247 N 1.34 -0.23 0.00 2.29 0.15 -0.80 -2.10 113.70 114.35 1iri s SER 247 Ca -0.01 -0.45 0.15 0.00 0.70 0.00 0.00 55.95 56.34 1iri s SER 247 Cb -0.20 0.58 0.02 0.00 -1.71 0.00 0.00 66.02 64.71 1iri s SER 247 CO -0.02 -1.06 0.83 0.35 1.20 0.00 0.00 173.24 174.54 1iri n THR 248 N -0.45 0.00 -3.71 6.45 -2.24 -0.98 -2.90 114.28 110.45 1iri n THR 248 Ca -0.06 -0.39 -0.36 0.00 -2.27 0.00 0.00 64.05 60.97 1iri n THR 248 Cb 0.60 1.20 -0.09 0.00 -2.10 0.00 0.00 70.33 69.94 1iri n THR 248 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 1iri s ASN 249 N -1.63 5.35 0.28 3.42 3.84 -1.25 -4.94 114.94 120.01 1iri s ASN 249 Ca 0.13 -3.02 -0.01 0.00 0.21 0.00 0.00 52.86 50.17 1iri s ASN 249 Cb 0.12 -1.86 0.48 0.00 -0.55 0.00 0.00 41.25 39.44 1iri s ASN 249 CO 0.32 -0.33 1.86 0.74 -2.79 0.00 0.00 177.10 176.90 1iri h THR 250 N 5.05 1.01 0.03 -5.21 2.02 -1.96 -2.87 112.91 110.98 1iri h THR 250 Ca 0.02 -0.37 -0.00 0.00 0.77 0.00 0.00 66.41 66.82 1iri h THR 250 Cb 0.93 -0.18 0.00 0.00 -1.74 0.00 0.00 68.15 67.16 1iri h THR 250 CO 0.73 0.20 -0.01 0.74 0.37 0.00 0.00 175.52 177.55 1iri h THR 251 N 1.09 1.03 0.00 3.16 2.02 -2.00 -1.88 112.91 116.33 1iri h THR 251 Ca 0.46 -0.17 -0.06 0.00 0.77 0.00 0.00 66.41 67.42 1iri h THR 251 Cb 0.32 1.14 -0.01 0.00 -1.74 0.00 0.00 68.15 67.86 1iri h THR 251 CO -0.21 0.04 -0.28 0.11 0.37 0.00 0.00 175.52 175.55 1iri h LYS 252 N -0.11 0.00 -0.04 6.66 6.56 -1.90 -1.03 116.57 126.72 1iri h LYS 252 Ca -0.00 0.00 -0.00 0.00 -1.06 0.00 0.00 60.65 59.58 1iri h LYS 252 Cb 0.10 0.00 -0.00 0.00 -0.57 0.00 0.00 32.23 31.76 1iri h LYS 252 CO 0.01 0.28 0.01 0.28 -2.06 0.00 0.00 179.45 177.97 1iri h VAL 253 N 0.00 1.21 0.02 0.50 2.07 -1.25 0.58 116.25 119.37 1iri h VAL 253 Ca -0.00 -0.62 0.02 0.00 0.82 0.00 0.00 66.70 66.91 1iri h VAL 253 Cb 0.51 1.56 -0.03 0.00 -1.52 0.00 0.00 31.29 31.81 1iri h VAL 253 CO 0.04 0.17 -0.14 0.11 0.02 0.00 0.00 177.57 177.76 1iri h LYS 254 N -0.19 -0.24 -0.42 1.57 1.57 -1.05 -1.05 116.57 116.76 1iri h LYS 254 Ca 0.01 0.02 0.08 0.00 -1.87 0.00 0.00 60.65 58.89 1iri h LYS 254 Cb 0.26 0.05 -0.02 0.00 0.08 0.00 0.00 32.23 32.61 1iri h LYS 254 CO 0.00 -0.16 0.29 0.93 -0.57 0.00 0.00 179.45 179.94 1iri h GLU 255 N -0.25 0.20 0.00 3.15 5.08 -1.08 0.63 114.58 122.31 1iri h GLU 255 Ca 0.04 -0.01 -0.07 0.00 -1.00 0.00 0.00 59.36 58.33 1iri h GLU 255 Cb 0.30 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.50 1iri h GLU 255 CO -0.13 0.13 -0.31 0.35 -1.00 0.00 0.00 179.01 178.05 1iri h PHE 256 N 0.20 0.00 0.00 4.33 3.04 0.32 -3.47 116.94 121.36 1iri h PHE 256 Ca 0.19 0.00 0.00 0.00 3.98 0.00 0.00 57.97 62.14 1iri h PHE 256 Cb 0.51 0.00 0.00 0.00 2.56 0.00 0.00 35.95 39.02 1iri h PHE 256 CO -0.00 0.31 0.00 0.41 -2.02 0.00 0.00 178.31 177.01 1iri n GLY 257 N -0.01 1.28 3.74 2.40 0.00 0.22 -5.09 105.19 107.73 1iri n GLY 257 Ca -0.01 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.63 1iri n GLY 257 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1iri s ILE 258 N -2.00 5.01 0.20 -0.61 1.01 -0.87 -4.90 121.20 119.04 1iri s ILE 258 Ca 0.00 1.24 -0.32 0.00 0.00 0.00 0.00 60.65 61.56 1iri s ILE 258 Cb 0.00 -3.94 -0.14 0.00 0.01 0.00 0.00 42.46 38.39 1iri s ILE 258 CO 0.00 0.35 1.33 -0.67 0.00 0.00 0.00 174.94 175.95 1iri n ASP 259 N 3.21 2.19 0.32 3.58 -0.08 -1.26 -4.27 116.55 120.24 1iri n ASP 259 Ca -0.05 1.13 0.21 0.00 -1.51 0.00 0.00 54.79 54.57 1iri n ASP 259 Cb 0.51 -1.33 1.10 0.00 2.34 0.00 0.00 41.12 43.74 1iri n ASP 259 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 1iri h PRO 260 N 4.08 0.00 0.00 -0.67 0.13 -1.96 0.65 132.00 134.23 1iri h PRO 260 Ca -0.44 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.69 1iri h PRO 260 Cb 1.30 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.43 1iri h PRO 260 CO 0.75 0.00 -0.11 1.04 -0.23 0.00 0.00 178.00 179.45 1iri n GLN 261 N -3.13 0.16 -0.61 0.86 6.02 -1.26 -3.40 117.38 116.02 1iri n GLN 261 Ca -0.02 0.11 0.09 0.00 -0.01 0.00 0.00 57.00 57.17 1iri n GLN 261 Cb 0.12 -1.67 0.35 0.00 1.02 0.00 0.00 30.24 30.07 1iri n GLN 261 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 1iri n ASN 262 N -1.94 4.69 -4.66 1.08 3.02 0.22 -4.89 115.26 112.79 1iri n ASN 262 Ca 0.06 -2.44 -0.35 0.00 -0.03 0.00 0.00 54.58 51.82 1iri n ASN 262 Cb 0.39 -0.58 -0.09 0.00 -0.61 0.00 0.00 39.78 38.89 1iri n ASN 262 CO 0.00 0.00 0.00 -0.32 -2.62 0.00 0.00 177.26 174.32 1iri s MET 263 N -1.84 4.03 -0.25 3.52 1.75 -1.22 0.28 119.30 125.57 1iri s MET 263 Ca 0.50 -0.31 -0.06 0.00 -1.25 0.00 0.00 55.69 54.58 1iri s MET 263 Cb 0.32 -3.32 -0.01 0.00 2.84 0.00 0.00 34.83 34.66 1iri s MET 263 CO 0.24 0.23 0.04 -0.06 -0.65 0.00 0.00 175.02 174.82 1iri s PHE 264 N 0.52 3.06 0.22 4.11 0.40 0.44 -4.91 117.98 121.83 1iri s PHE 264 Ca 0.05 -0.74 -0.07 0.00 -0.60 0.00 0.00 56.93 55.57 1iri s PHE 264 Cb -0.12 -2.20 -0.06 0.00 0.51 0.00 0.00 43.02 41.15 1iri s PHE 264 CO 0.00 -0.48 0.50 -1.21 0.70 0.00 0.00 175.22 174.74 1iri s GLU 265 N 1.54 3.69 0.00 0.44 2.02 -1.26 -1.90 118.70 123.23 1iri s GLU 265 Ca 0.05 0.08 0.00 0.00 0.02 0.00 0.00 54.97 55.12 1iri s GLU 265 Cb -0.15 -2.70 0.00 0.00 0.10 0.00 0.00 34.13 31.37 1iri s GLU 265 CO 0.01 0.33 0.00 1.97 0.02 0.00 0.00 175.26 177.59 1iri n PHE 266 N -0.35 0.00 -4.30 1.61 -0.00 -1.14 -4.60 117.46 108.67 1iri n PHE 266 Ca -0.01 0.00 -0.17 0.00 -0.00 0.00 0.00 57.45 57.27 1iri n PHE 266 Cb 0.53 0.00 -0.10 0.00 -0.00 0.00 0.00 39.48 39.91 1iri n PHE 266 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.76 175.18 1iri s TRP 267 N -1.00 1.50 -0.20 2.97 0.51 -1.26 -4.47 118.94 116.99 1iri s TRP 267 Ca 0.00 -1.28 0.29 0.00 -2.12 0.00 0.00 56.10 52.99 1iri s TRP 267 Cb 0.00 -0.83 1.09 0.00 -0.81 0.00 0.00 33.47 32.92 1iri s TRP 267 CO 0.00 -0.45 1.84 0.38 -0.51 0.00 0.00 176.95 178.21 1iri h ASP 268 N 2.36 0.00 0.12 2.95 2.03 -1.96 -2.18 116.42 119.74 1iri h ASP 268 Ca -0.36 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 55.94 1iri h ASP 268 Cb 1.25 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.75 1iri h ASP 268 CO 0.56 0.00 0.00 -2.67 -1.03 0.00 0.00 179.24 176.10 1iri n TRP 269 N -2.77 0.00 -3.27 4.15 4.27 -1.26 -4.55 117.44 114.01 1iri n TRP 269 Ca 0.02 0.00 -0.44 0.00 -3.89 0.00 0.00 57.50 53.19 1iri n TRP 269 Cb 0.32 -0.06 -0.07 0.00 -1.36 0.00 0.00 31.31 30.13 1iri n TRP 269 CO 0.00 0.00 0.00 0.08 -2.29 0.00 0.00 177.69 175.48 1iri s VAL 270 N -2.13 5.05 0.54 -1.67 1.01 -0.82 -2.23 120.40 120.15 1iri s VAL 270 Ca 0.41 -0.79 -0.21 0.00 0.00 0.00 0.00 61.98 61.39 1iri s VAL 270 Cb 0.20 -4.22 -0.05 0.00 0.00 0.00 0.00 36.38 32.32 1iri s VAL 270 CO 0.37 -0.70 1.30 -0.83 0.00 0.00 0.00 175.10 175.24 1iri s GLY 271 N 2.68 2.85 0.10 4.51 0.00 -1.26 -4.85 107.32 111.35 1iri s GLY 271 Ca 0.10 1.22 -0.26 0.00 0.00 0.00 0.00 44.72 45.78 1iri s GLY 271 CO 0.09 1.71 1.68 -1.33 0.00 0.00 0.00 173.10 175.25 1iri h GLY 272 N 1.43 -0.31 0.44 0.20 0.00 -1.95 0.01 103.07 102.89 1iri h GLY 272 Ca -0.51 0.18 0.00 0.00 0.00 0.00 0.00 47.33 47.01 1iri h GLY 272 CO 0.57 -0.16 0.00 -0.96 0.00 0.00 0.00 176.54 176.00 1iri n ARG 273 N -5.28 0.72 -0.54 4.80 1.85 -1.26 -1.69 116.66 115.26 1iri n ARG 273 Ca -0.07 0.00 0.06 0.00 -1.00 0.00 0.00 57.85 56.84 1iri n ARG 273 Cb 0.20 -1.22 0.11 0.00 -1.05 0.00 0.00 32.46 30.50 1iri n ARG 273 CO 0.00 0.00 0.00 0.66 -0.01 0.00 0.00 177.63 178.28 1iri n TYR 274 N -0.72 0.00 0.73 2.89 4.02 -0.16 -4.78 117.16 119.13 1iri n TYR 274 Ca 0.08 -0.87 0.09 0.00 -0.01 0.00 0.00 57.90 57.18 1iri n TYR 274 Cb 0.03 -0.16 -0.12 0.00 -0.02 0.00 0.00 39.34 39.08 1iri n TYR 274 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 176.86 174.72 1iri n SER 275 N -0.76 0.82 0.33 7.72 3.41 -0.31 -4.42 113.62 120.41 1iri n SER 275 Ca 0.12 -0.77 0.21 0.00 -0.26 0.00 0.00 58.87 58.18 1iri n SER 275 Cb 0.75 1.18 1.15 0.00 -0.26 0.00 0.00 64.21 67.03 1iri n SER 275 CO 0.00 0.00 0.00 0.17 -0.16 0.00 0.00 175.04 175.05 1iri h LEU 276 N 0.00 0.00 -0.66 1.04 8.10 -1.84 0.37 115.31 122.32 1iri h LEU 276 Ca 0.00 0.00 0.00 0.00 0.11 0.00 0.00 57.88 57.99 1iri h LEU 276 Cb 0.54 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.76 1iri h LEU 276 CO 0.00 0.00 0.00 -0.50 -4.11 0.00 0.00 178.44 173.83 1iri h TRP 277 N 0.00 0.00 -2.70 0.17 4.06 -1.95 -3.13 115.95 112.40 1iri h TRP 277 Ca 0.00 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.95 1iri h TRP 277 Cb 0.05 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.21 1iri h TRP 277 CO 0.00 0.00 0.00 -1.13 -3.56 0.00 0.00 178.44 173.75 1iri n SER 278 N -2.71 0.00 -0.25 -3.49 3.41 0.13 -4.79 113.62 105.93 1iri n SER 278 Ca 0.03 -0.07 0.24 0.00 -0.26 0.00 0.00 58.87 58.81 1iri n SER 278 Cb 0.36 0.00 0.59 0.00 -0.26 0.00 0.00 64.21 64.90 1iri n SER 278 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1iri h ALA 279 N -1.10 2.46 -0.63 7.33 0.00 -1.81 0.66 119.26 126.16 1iri h ALA 279 Ca 0.00 0.01 0.18 0.00 0.00 0.00 0.00 54.91 55.10 1iri h ALA 279 Cb 0.00 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 17.79 1iri h ALA 279 CO 0.00 -0.76 0.49 0.82 0.00 0.00 0.00 179.25 179.80 1iri h ILE 280 N 0.26 0.57 0.00 0.00 1.08 -1.86 0.74 117.51 118.31 1iri h ILE 280 Ca 0.49 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.96 1iri h ILE 280 Cb 1.48 0.65 0.00 0.00 -3.07 0.00 0.00 36.82 35.87 1iri h ILE 280 CO -0.15 0.00 0.00 0.61 -0.69 0.00 0.00 178.15 177.92 1iri n GLY 281 N -1.63 -0.90 0.34 5.37 0.00 0.22 -4.09 105.19 104.52 1iri n GLY 281 Ca 0.12 -0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.18 1iri n GLY 281 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1iri h LEU 282 N 0.00 0.87 -1.77 0.99 5.85 0.34 0.21 115.31 121.81 1iri h LEU 282 Ca 0.00 0.04 -0.01 0.00 0.84 0.00 0.00 57.88 58.74 1iri h LEU 282 Cb 0.00 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 40.88 1iri h LEU 282 CO 0.00 0.51 0.01 0.77 -0.34 0.00 0.00 178.44 179.39 1iri h SER 283 N 0.98 0.14 0.16 1.25 4.64 -1.82 0.03 113.55 118.92 1iri h SER 283 Ca 0.44 -0.01 -0.01 0.00 -0.47 0.00 0.00 61.79 61.74 1iri h SER 283 Cb 0.34 -0.03 0.00 0.00 -0.31 0.00 0.00 62.40 62.40 1iri h SER 283 CO -0.23 0.16 -0.07 0.40 -0.87 0.00 0.00 176.83 176.22 1iri h ILE 284 N 0.15 0.97 -0.82 0.95 2.04 -0.93 -2.39 117.51 117.48 1iri h ILE 284 Ca 0.04 -0.64 0.12 0.00 1.00 0.00 0.00 64.86 65.37 1iri h ILE 284 Cb 0.09 1.36 -0.08 0.00 -0.74 0.00 0.00 36.82 37.45 1iri h ILE 284 CO -0.00 0.15 0.45 0.00 0.00 0.00 0.00 178.15 178.75 1iri h ALA 285 N 0.26 1.20 -0.12 1.87 0.00 -0.43 -1.42 119.26 120.61 1iri h ALA 285 Ca -0.02 0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 1iri h ALA 285 Cb 0.40 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.11 1iri h ALA 285 CO 0.04 0.01 0.01 -0.07 0.00 0.00 0.00 179.25 179.23 1iri h LEU 286 N 0.70 0.20 -0.61 0.00 3.38 -1.00 0.24 115.31 118.23 1iri h LEU 286 Ca 0.42 -0.28 -0.07 0.00 0.09 0.00 0.00 57.88 58.04 1iri h LEU 286 Cb 0.48 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 41.16 1iri h LEU 286 CO -0.30 0.43 0.11 -0.74 0.09 0.00 0.00 178.44 178.03 1iri h HIS 287 N -0.04 1.07 -0.01 1.13 2.76 -0.98 -3.32 115.15 115.77 1iri h HIS 287 Ca 0.04 -0.14 0.00 0.00 -2.20 0.00 0.00 60.37 58.06 1iri h HIS 287 Cb 0.32 -0.30 0.00 0.00 1.55 0.00 0.00 27.41 28.98 1iri h HIS 287 CO 0.02 0.91 -0.13 1.33 -1.30 0.00 0.00 177.93 178.77 1iri n VAL 288 N -4.30 0.00 0.00 5.26 0.24 -0.58 -4.30 118.33 114.66 1iri n VAL 288 Ca 0.03 -0.44 0.00 0.00 -2.04 0.00 0.00 64.34 61.90 1iri n VAL 288 Cb 0.27 1.16 0.00 0.00 -1.47 0.00 0.00 33.84 33.80 1iri n VAL 288 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1iri n GLY 289 N 0.77 1.17 0.20 7.63 0.00 0.84 -4.38 105.19 111.43 1iri n GLY 289 Ca 0.05 -1.65 0.06 0.00 0.00 0.00 0.00 46.02 44.48 1iri n GLY 289 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1iri h PHE 290 N 0.00 0.00 -0.40 1.61 3.57 -1.92 -2.49 116.94 117.31 1iri h PHE 290 Ca 0.00 0.00 -0.04 0.00 3.53 0.00 0.00 57.97 61.46 1iri h PHE 290 Cb 0.00 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 38.72 1iri h PHE 290 CO 0.00 0.34 0.08 -0.44 -2.23 0.00 0.00 178.31 176.06 1iri h ASP 291 N 0.00 0.62 -0.08 0.41 5.19 -1.91 -0.85 116.42 119.80 1iri h ASP 291 Ca -0.00 -0.24 -0.08 0.00 -0.62 0.00 0.00 57.03 56.08 1iri h ASP 291 Cb 0.74 -0.16 -0.01 0.00 0.18 0.00 0.00 39.33 40.07 1iri h ASP 291 CO 0.04 0.71 -0.18 0.78 -3.12 0.00 0.00 179.24 177.48 1iri h ASN 292 N 0.51 0.44 -0.74 6.45 -0.26 -1.71 -0.45 115.58 119.82 1iri h ASN 292 Ca 0.12 -0.13 -0.00 0.00 -0.56 0.00 0.00 56.30 55.74 1iri h ASN 292 Cb 0.34 -0.12 -0.04 0.00 -1.06 0.00 0.00 38.32 37.44 1iri h ASN 292 CO 0.00 0.64 0.45 0.15 -1.06 0.00 0.00 177.43 177.62 1iri h PHE 293 N 0.41 0.98 -0.35 1.19 3.57 -1.03 -1.06 116.94 120.66 1iri h PHE 293 Ca 0.07 0.00 -0.07 0.00 3.53 0.00 0.00 57.97 61.51 1iri h PHE 293 Cb 0.55 -0.32 -0.01 0.00 2.79 0.00 0.00 35.95 38.95 1iri h PHE 293 CO 0.02 0.65 -0.04 0.93 -2.23 0.00 0.00 178.31 177.64 1iri h GLU 294 N 1.03 0.65 -0.87 1.11 5.08 -0.01 -1.59 114.58 119.98 1iri h GLU 294 Ca 0.27 -0.23 0.10 0.00 -1.00 0.00 0.00 59.36 58.50 1iri h GLU 294 Cb -0.04 -0.05 -0.08 0.00 0.50 0.00 0.00 28.75 29.08 1iri h GLU 294 CO -0.05 0.79 0.51 1.96 -1.00 0.00 0.00 179.01 181.22 1iri h GLN 295 N 0.45 0.83 -0.48 2.33 1.08 -0.52 -0.05 115.11 118.74 1iri h GLN 295 Ca 0.09 -0.05 -0.02 0.00 -1.45 0.00 0.00 58.65 57.23 1iri h GLN 295 Cb 0.52 -0.19 -0.02 0.00 -0.05 0.00 0.00 27.48 27.74 1iri h GLN 295 CO 0.03 0.55 0.23 1.25 -0.95 0.00 0.00 178.83 179.93 1iri h LEU 296 N 0.85 0.63 -0.99 1.46 5.85 -0.70 0.18 115.31 122.60 1iri h LEU 296 Ca 0.42 -0.13 -0.00 0.00 0.84 0.00 0.00 57.88 59.01 1iri h LEU 296 Cb 0.38 -0.16 -0.05 0.00 0.37 0.00 0.00 40.66 41.20 1iri h LEU 296 CO -0.25 0.59 0.58 -0.07 -0.34 0.00 0.00 178.44 178.95 1iri h LEU 297 N 0.64 1.12 -0.50 2.25 3.38 -0.72 -2.63 115.31 118.85 1iri h LEU 297 Ca 0.17 -0.06 -0.14 0.00 0.09 0.00 0.00 57.88 57.94 1iri h LEU 297 Cb 0.12 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.58 1iri h LEU 297 CO -0.02 0.85 -0.26 0.28 0.09 0.00 0.00 178.44 179.38 1iri h SER 298 N 1.30 0.99 -0.53 -0.43 0.02 0.31 0.11 113.55 115.32 1iri h SER 298 Ca 0.34 -0.39 0.09 0.00 -0.84 0.00 0.00 61.79 60.98 1iri h SER 298 Cb -0.07 -0.27 -0.07 0.00 0.14 0.00 0.00 62.40 62.12 1iri h SER 298 CO -0.07 1.18 0.15 1.23 -1.14 0.00 0.00 176.83 178.18 1iri h GLY 299 N 0.87 0.69 0.98 -3.77 0.00 -0.44 0.34 103.07 101.74 1iri h GLY 299 Ca 0.10 -0.06 -0.04 0.00 0.00 0.00 0.00 47.33 47.33 1iri h GLY 299 CO 0.07 -0.05 0.19 0.00 0.00 0.00 0.00 176.54 176.75 1iri h ALA 300 N 1.39 0.71 -0.09 3.60 0.00 -1.09 -2.10 119.26 121.68 1iri h ALA 300 Ca 0.27 -0.18 0.02 0.00 0.00 0.00 0.00 54.91 55.02 1iri h ALA 300 Cb 0.34 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 1iri h ALA 300 CO -0.31 0.35 -0.05 1.25 0.00 0.00 0.00 179.25 180.50 1iri h HIS 301 N 0.75 -0.11 -0.37 0.00 6.17 0.14 0.39 115.15 122.11 1iri h HIS 301 Ca 0.18 0.01 0.08 0.00 0.71 0.00 0.00 60.37 61.35 1iri h HIS 301 Cb 0.25 0.06 -0.08 0.00 2.52 0.00 0.00 27.41 30.17 1iri h HIS 301 CO 0.01 -0.08 -0.16 2.35 0.71 0.00 0.00 177.93 180.76 1iri h TRP 302 N -0.04 -0.40 -0.19 5.26 7.01 0.03 -1.00 115.95 126.62 1iri h TRP 302 Ca 0.05 0.04 -0.06 0.00 2.11 0.00 0.00 58.89 61.03 1iri h TRP 302 Cb 0.12 0.23 -0.01 0.00 -2.10 0.00 0.00 29.16 27.40 1iri h TRP 302 CO -0.16 -0.24 -0.17 1.98 -2.79 0.00 0.00 178.44 177.06 1iri h MET 303 N -0.10 0.32 -0.66 2.65 4.05 -1.01 -1.74 114.93 118.45 1iri h MET 303 Ca 0.18 -0.09 0.05 0.00 -0.28 0.00 0.00 59.70 59.57 1iri h MET 303 Cb 0.38 -0.04 -0.05 0.00 -0.80 0.00 0.00 31.60 31.09 1iri h MET 303 CO -0.43 0.49 0.37 -0.44 0.23 0.00 0.00 176.91 177.13 1iri h ASP 304 N 0.30 0.56 -0.41 1.39 3.32 0.36 -1.27 116.42 120.68 1iri h ASP 304 Ca 0.06 0.03 -0.14 0.00 0.02 0.00 0.00 57.03 56.99 1iri h ASP 304 Cb 0.48 -0.09 -0.01 0.00 0.22 0.00 0.00 39.33 39.93 1iri h ASP 304 CO 0.03 0.37 -0.29 1.56 -1.72 0.00 0.00 179.24 179.19 1iri h GLN 305 N 0.70 0.94 -1.00 3.56 4.20 -0.81 -1.11 115.11 121.58 1iri h GLN 305 Ca 0.29 -0.44 0.02 0.00 0.06 0.00 0.00 58.65 58.58 1iri h GLN 305 Cb 0.16 -0.01 -0.05 0.00 0.30 0.00 0.00 27.48 27.87 1iri h GLN 305 CO -0.17 1.10 0.66 1.25 -0.67 0.00 0.00 178.83 181.00 1iri h HIS 306 N 0.80 1.25 -0.47 2.96 2.76 -0.87 0.29 115.15 121.87 1iri h HIS 306 Ca 0.09 0.03 -0.13 0.00 -2.20 0.00 0.00 60.37 58.16 1iri h HIS 306 Cb 0.86 -0.42 -0.01 0.00 1.55 0.00 0.00 27.41 29.39 1iri h HIS 306 CO 0.05 0.77 -0.20 0.35 -1.30 0.00 0.00 177.93 177.61 1iri h PHE 307 N 1.33 1.10 -0.13 5.26 3.57 -0.93 -2.66 116.94 124.49 1iri h PHE 307 Ca 0.37 -0.26 -0.21 0.00 3.53 0.00 0.00 57.97 61.40 1iri h PHE 307 Cb -0.12 -0.26 0.01 0.00 2.79 0.00 0.00 35.95 38.37 1iri h PHE 307 CO -0.00 1.08 -0.76 -0.09 -2.23 0.00 0.00 178.31 176.30 1iri h ARG 308 N 0.81 0.68 -0.07 1.11 2.43 -0.33 -3.36 114.38 115.65 1iri h ARG 308 Ca 0.11 -0.56 0.00 0.00 -0.81 0.00 0.00 59.98 58.72 1iri h ARG 308 Cb 0.77 0.12 0.00 0.00 -0.42 0.00 0.00 29.97 30.44 1iri h ARG 308 CO 0.06 1.17 0.00 0.25 -1.51 0.00 0.00 179.97 179.94 1iri n THR 309 N -3.91 0.11 -3.83 0.20 -2.24 0.01 -4.96 114.28 99.66 1iri n THR 309 Ca -0.06 -0.56 -0.36 0.00 -2.27 0.00 0.00 64.05 60.80 1iri n THR 309 Cb 0.74 1.23 -0.08 0.00 -2.10 0.00 0.00 70.33 70.12 1iri n THR 309 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 1iri s THR 310 N -1.23 5.35 0.31 4.28 2.01 -1.00 -5.05 115.64 120.30 1iri s THR 310 Ca 0.19 0.16 -0.29 0.00 0.31 0.00 0.00 61.69 62.06 1iri s THR 310 Cb 0.13 -3.40 -0.12 0.00 0.01 0.00 0.00 72.50 69.12 1iri s THR 310 CO 0.19 0.51 1.39 -2.65 -0.69 0.00 0.00 174.62 173.37 1iri n PRO 311 N 2.94 2.25 -0.33 4.92 -0.02 -1.26 -4.69 135.00 138.81 1iri n PRO 311 Ca -0.18 0.79 0.27 0.00 -2.02 0.00 0.00 63.50 62.37 1iri n PRO 311 Cb 0.53 -2.44 0.51 0.00 -0.02 0.00 0.00 33.50 32.08 1iri n PRO 311 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 1iri h LEU 312 N 3.38 0.15 -0.98 2.45 3.38 -1.95 0.32 115.31 122.06 1iri h LEU 312 Ca -0.46 0.26 0.00 0.00 0.09 0.00 0.00 57.88 57.77 1iri h LEU 312 Cb 1.27 0.31 0.00 0.00 0.09 0.00 0.00 40.66 42.33 1iri h LEU 312 CO 0.69 -0.40 0.00 1.05 0.09 0.00 0.00 178.44 179.87 1iri h GLU 313 N 0.03 0.00 -0.00 1.13 9.09 -1.98 -2.27 114.58 120.57 1iri h GLU 313 Ca 0.78 0.00 0.00 0.00 0.05 0.00 0.00 59.36 60.19 1iri h GLU 313 Cb 1.97 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 29.07 1iri h GLU 313 CO -0.79 0.00 0.00 1.63 0.05 0.00 0.00 179.01 179.90 1iri n LYS 314 N -2.45 2.81 -3.18 1.06 4.76 0.11 -5.00 118.16 116.28 1iri n LYS 314 Ca 0.01 -1.62 -0.44 0.00 -2.87 0.00 0.00 58.31 53.39 1iri n LYS 314 Cb 0.23 -1.06 -0.06 0.00 -1.84 0.00 0.00 35.03 32.30 1iri n LYS 314 CO 0.00 0.00 0.00 1.21 -1.37 0.00 0.00 177.40 177.24 1iri s ASN 315 N -1.20 6.20 0.00 4.39 3.04 -0.86 -4.92 114.94 121.59 1iri s ASN 315 Ca 0.04 -1.18 -0.00 0.00 0.04 0.00 0.00 52.86 51.76 1iri s ASN 315 Cb 0.03 -2.28 -0.00 0.00 -1.54 0.00 0.00 41.25 37.46 1iri s ASN 315 CO 0.01 -0.94 0.99 0.00 -3.04 0.00 0.00 177.10 174.12 1iri n ALA 316 N 6.07 -0.01 -0.32 1.71 0.00 -1.26 -0.85 120.51 125.86 1iri n ALA 316 Ca -0.09 0.01 0.16 0.00 0.00 0.00 0.00 53.44 53.52 1iri n ALA 316 Cb 0.44 0.49 0.40 0.00 0.00 0.00 0.00 19.45 20.77 1iri n ALA 316 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 1iri h PRO 317 N 0.00 0.60 -0.40 0.00 0.10 -1.93 0.15 132.00 130.53 1iri h PRO 317 Ca 0.00 -0.04 -0.10 0.00 0.10 0.00 0.00 66.00 65.96 1iri h PRO 317 Cb 0.00 -0.14 -0.01 0.00 0.10 0.00 0.00 31.00 30.96 1iri h PRO 317 CO -0.01 0.40 -0.15 0.28 0.10 0.00 0.00 178.00 178.62 1iri h VAL 318 N 0.62 1.28 -0.46 3.15 2.07 -1.62 -2.40 116.25 118.89 1iri h VAL 318 Ca 0.54 -1.27 -0.10 0.00 0.82 0.00 0.00 66.70 66.70 1iri h VAL 318 Cb 1.04 1.26 -0.01 0.00 -1.52 0.00 0.00 31.29 32.06 1iri h VAL 318 CO -0.30 0.43 -0.09 -0.07 0.02 0.00 0.00 177.57 177.55 1iri h LEU 319 N 0.62 0.87 -0.94 2.57 3.38 0.13 -1.58 115.31 120.35 1iri h LEU 319 Ca 0.09 -0.35 0.03 0.00 0.09 0.00 0.00 57.88 57.74 1iri h LEU 319 Cb 0.70 -0.24 -0.05 0.00 0.09 0.00 0.00 40.66 41.16 1iri h LEU 319 CO 0.05 1.02 0.61 -0.07 0.09 0.00 0.00 178.44 180.14 1iri h LEU 320 N 0.71 1.03 -0.05 1.67 3.38 -1.11 -0.25 115.31 120.68 1iri h LEU 320 Ca 0.12 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.07 1iri h LEU 320 Cb 0.63 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 41.13 1iri h LEU 320 CO 0.04 0.72 0.01 0.00 0.09 0.00 0.00 178.44 179.30 1iri h ALA 321 N 1.37 0.07 -0.69 1.53 0.00 -1.30 -1.51 119.26 118.74 1iri h ALA 321 Ca 0.36 -0.15 0.01 0.00 0.00 0.00 0.00 54.91 55.14 1iri h ALA 321 Cb -0.04 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 17.69 1iri h ALA 321 CO -0.11 -0.28 0.45 -0.07 0.00 0.00 0.00 179.25 179.24 1iri h LEU 322 N -0.16 0.78 -0.97 0.00 3.38 -1.05 0.96 115.31 118.25 1iri h LEU 322 Ca 0.02 -0.02 0.10 0.00 0.09 0.00 0.00 57.88 58.07 1iri h LEU 322 Cb 0.28 -0.19 -0.08 0.00 0.09 0.00 0.00 40.66 40.76 1iri h LEU 322 CO 0.00 0.56 0.60 -0.07 0.09 0.00 0.00 178.44 179.63 1iri h LEU 323 N 0.92 0.90 -0.37 1.67 3.38 -0.90 0.08 115.31 121.00 1iri h LEU 323 Ca 0.25 0.04 -0.16 0.00 0.09 0.00 0.00 57.88 58.11 1iri h LEU 323 Cb -0.10 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.50 1iri h LEU 323 CO -0.06 0.51 -0.37 1.23 0.09 0.00 0.00 178.44 179.84 1iri h GLY 324 N 1.00 0.99 0.75 0.83 0.00 -0.15 -2.13 103.07 104.36 1iri h GLY 324 Ca 0.46 -1.02 0.04 0.00 0.00 0.00 0.00 47.33 46.81 1iri h GLY 324 CO -0.24 0.92 0.27 -2.22 0.00 0.00 0.00 176.54 175.27 1iri h ILE 325 N 0.72 0.97 -0.22 2.60 1.08 0.16 0.44 117.51 123.26 1iri h ILE 325 Ca 0.06 -0.18 0.04 0.00 -0.39 0.00 0.00 64.86 64.39 1iri h ILE 325 Cb 0.97 0.40 -0.04 0.00 -3.07 0.00 0.00 36.82 35.09 1iri h ILE 325 CO 0.09 0.10 -0.02 -0.25 -0.69 0.00 0.00 178.15 177.38 1iri h TRP 326 N 0.52 -0.05 -0.38 1.37 -0.00 -0.93 0.32 115.95 116.80 1iri h TRP 326 Ca 0.22 0.02 -0.15 0.00 -0.00 0.00 0.00 58.89 58.98 1iri h TRP 326 Cb 0.12 0.06 -0.01 0.00 -0.00 0.00 0.00 29.16 29.32 1iri h TRP 326 CO -0.10 -0.06 -0.36 1.88 -0.00 0.00 0.00 178.44 179.81 1iri h TYR 327 N 0.04 1.06 0.01 2.65 0.05 -0.87 -1.79 116.97 118.13 1iri h TYR 327 Ca 0.11 -0.31 -0.00 0.00 0.05 0.00 0.00 58.73 58.58 1iri h TYR 327 Cb 0.14 -0.23 0.00 0.00 1.01 0.00 0.00 36.73 37.66 1iri h TYR 327 CO -0.20 1.11 -0.00 0.82 -1.05 0.00 0.00 178.16 178.84 1iri h ILE 328 N 0.74 1.38 0.00 -2.88 2.04 0.20 -1.05 117.51 117.94 1iri h ILE 328 Ca 0.07 -1.96 -0.06 0.00 1.00 0.00 0.00 64.86 63.90 1iri h ILE 328 Cb 0.94 2.58 -0.01 0.00 -0.74 0.00 0.00 36.82 39.59 1iri h ILE 328 CO 0.09 0.46 -0.90 0.78 0.00 0.00 0.00 178.15 178.58 1iri h ASN 329 N -0.97 0.00 0.00 1.72 -0.26 -0.52 -2.94 115.58 112.61 1iri h ASN 329 Ca -0.00 0.00 -0.06 0.00 -0.56 0.00 0.00 56.30 55.68 1iri h ASN 329 Cb 0.76 0.00 -0.01 0.00 -1.06 0.00 0.00 38.32 38.01 1iri h ASN 329 CO 0.00 0.24 -1.15 0.00 -1.06 0.00 0.00 177.43 175.46 1iri h PHE 331 N -1.00 0.00 -1.38 0.00 -1.00 -1.37 -3.48 116.94 108.72 1iri h PHE 331 Ca -0.09 0.00 -0.13 0.00 2.81 0.00 0.00 57.97 60.56 1iri h PHE 331 Cb 1.03 0.00 0.01 0.00 3.61 0.00 0.00 35.95 40.60 1iri h PHE 331 CO -0.36 0.02 -0.18 0.41 -1.61 0.00 0.00 178.31 176.59 1iri n GLY 332 N 0.60 0.22 3.69 -1.45 0.00 -0.51 -4.99 105.19 102.75 1iri n GLY 332 Ca 0.02 -0.55 -0.42 0.00 0.00 0.00 0.00 46.02 45.07 1iri n GLY 332 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1iri h GLU 334 N 7.25 0.09 -5.39 0.00 5.08 -1.90 -3.40 114.58 116.31 1iri h GLU 334 Ca -0.35 -0.05 -0.52 0.00 -1.00 0.00 0.00 59.36 57.44 1iri h GLU 334 Cb 1.17 0.01 -0.14 0.00 0.50 0.00 0.00 28.75 30.29 1iri h GLU 334 CO 0.86 0.61 -0.62 0.95 -1.00 0.00 0.00 179.01 179.81 1iri s THR 335 N -3.83 1.48 -0.17 1.13 -4.23 -1.26 -1.27 115.64 107.49 1iri s THR 335 Ca -0.03 -2.02 -0.04 0.00 -1.18 0.00 0.00 61.69 58.42 1iri s THR 335 Cb 0.13 -2.78 0.08 0.00 1.34 0.00 0.00 72.50 71.27 1iri s THR 335 CO 0.77 -0.06 0.28 -2.28 -0.54 0.00 0.00 174.62 172.79 1iri s HIS 336 N -3.09 -0.48 -0.00 3.99 2.46 -0.50 -4.21 115.29 113.46 1iri s HIS 336 Ca 0.35 0.82 -0.15 0.00 0.47 0.00 0.00 55.06 56.54 1iri s HIS 336 Cb 0.08 -0.08 -0.06 0.00 -0.13 0.00 0.00 32.58 32.39 1iri s HIS 336 CO 0.16 -0.48 0.42 0.00 -2.47 0.00 0.00 174.74 172.37 1iri s ALA 337 N 2.43 3.68 -0.20 1.58 0.00 -0.42 -2.00 121.76 126.83 1iri s ALA 337 Ca 0.04 -0.21 0.01 0.00 0.00 0.00 0.00 51.96 51.81 1iri s ALA 337 Cb -0.13 -2.41 0.03 0.00 0.00 0.00 0.00 23.12 20.60 1iri s ALA 337 CO -0.11 0.45 -0.17 -1.64 0.00 0.00 0.00 175.76 174.29 1iri s MET 338 N -0.98 2.84 -0.47 0.00 -1.94 0.13 -0.94 119.30 117.94 1iri s MET 338 Ca 0.24 -0.94 0.03 0.00 -1.71 0.00 0.00 55.69 53.31 1iri s MET 338 Cb -0.17 -2.66 0.14 0.00 2.01 0.00 0.00 34.83 34.15 1iri s MET 338 CO 0.13 -0.29 0.28 -0.51 -0.01 0.00 0.00 175.02 174.62 1iri s LEU 339 N 1.26 2.91 -0.02 -0.03 1.43 -0.18 -4.02 118.68 120.03 1iri s LEU 339 Ca 0.02 -2.83 -0.30 0.00 -1.03 0.00 0.00 54.13 49.99 1iri s LEU 339 Cb -0.15 -1.08 -0.03 0.00 0.03 0.00 0.00 46.19 44.96 1iri s LEU 339 CO -0.11 -0.24 1.05 -2.16 0.23 0.00 0.00 176.35 175.13 1iri s PRO 340 N 0.09 4.48 -1.22 1.29 0.04 -1.26 -2.13 135.00 136.29 1iri s PRO 340 Ca 0.20 1.50 -0.06 0.00 0.04 0.00 0.00 61.00 62.68 1iri s PRO 340 Cb -0.20 -3.47 0.20 0.00 0.04 0.00 0.00 34.50 31.08 1iri s PRO 340 CO -0.04 -0.19 1.92 0.66 0.04 0.00 0.00 177.00 179.39 1iri n TYR 341 N 4.29 2.66 -3.53 0.56 4.02 0.28 -1.04 117.16 124.41 1iri n TYR 341 Ca 0.08 -2.72 0.00 0.00 -0.01 0.00 0.00 57.90 55.25 1iri n TYR 341 Cb 0.49 -1.68 -0.04 0.00 -0.02 0.00 0.00 39.34 38.09 1iri n TYR 341 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 176.86 176.19 1iri s ASP 342 N -0.11 -0.91 0.44 7.72 2.15 -1.25 -4.70 116.67 120.02 1iri s ASP 342 Ca 0.41 1.21 0.19 0.00 0.43 0.00 0.00 52.55 54.80 1iri s ASP 342 Cb 0.12 2.02 1.05 0.00 -0.30 0.00 0.00 42.92 45.80 1iri s ASP 342 CO -0.01 -0.17 1.94 -0.61 -0.17 0.00 0.00 175.17 176.15 1iri h GLN 343 N 7.79 0.00 0.00 4.34 5.75 -1.86 -2.48 115.11 128.65 1iri h GLN 343 Ca -0.17 0.00 -0.10 0.00 -0.15 0.00 0.00 58.65 58.23 1iri h GLN 343 Cb 1.11 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 29.64 1iri h GLN 343 CO 0.09 0.24 -0.48 1.88 -2.65 0.00 0.00 178.83 177.91 1iri h TYR 344 N 0.00 0.00 -0.11 3.99 0.99 -1.90 -2.11 116.97 117.82 1iri h TYR 344 Ca -0.00 0.00 -0.03 0.00 2.00 0.00 0.00 58.73 60.69 1iri h TYR 344 Cb 0.49 0.00 -0.02 0.00 1.00 0.00 0.00 36.73 38.20 1iri h TYR 344 CO 0.00 0.48 0.04 1.28 -0.00 0.00 0.00 178.16 179.96 1iri n LEU 345 N -3.52 2.50 0.32 3.88 4.77 -0.94 -2.68 117.00 121.32 1iri n LEU 345 Ca -0.00 -1.27 0.19 0.00 -0.03 0.00 0.00 56.01 54.90 1iri n LEU 345 Cb 0.59 -0.54 1.05 0.00 -2.33 0.00 0.00 43.42 42.19 1iri n LEU 345 CO 0.39 0.42 1.14 1.12 -1.33 0.00 0.00 177.39 179.13 1iri h HIS 346 N 0.41 0.00 -0.49 -1.77 2.07 -1.47 0.17 115.15 114.06 1iri h HIS 346 Ca 0.04 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.56 1iri h HIS 346 Cb 0.96 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.94 1iri h HIS 346 CO 0.20 0.01 0.00 0.54 -3.07 0.00 0.00 177.93 175.61 1iri n ARG 347 N -3.40 3.16 -0.14 5.12 5.12 -1.26 -4.58 116.66 120.69 1iri n ARG 347 Ca -0.03 -2.56 -0.11 0.00 -1.93 0.00 0.00 57.85 53.22 1iri n ARG 347 Cb 0.10 -1.62 -0.02 0.00 -1.16 0.00 0.00 32.46 29.76 1iri n ARG 347 CO 0.00 0.00 0.00 0.35 -1.93 0.00 0.00 177.63 176.05 1iri h PHE 348 N 3.03 0.85 -0.47 -1.55 3.57 -0.98 -2.32 116.94 119.06 1iri h PHE 348 Ca 0.00 -0.18 -0.03 0.00 3.53 0.00 0.00 57.97 61.30 1iri h PHE 348 Cb 1.13 -0.21 -0.02 0.00 2.79 0.00 0.00 35.95 39.64 1iri h PHE 348 CO 0.50 0.88 0.19 0.00 -2.23 0.00 0.00 178.31 177.65 1iri h ALA 349 N 0.85 0.61 -0.65 2.41 0.00 -1.81 -2.73 119.26 117.94 1iri h ALA 349 Ca 0.10 -0.15 -0.04 0.00 0.00 0.00 0.00 54.91 54.83 1iri h ALA 349 Cb 0.60 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 18.17 1iri h ALA 349 CO 0.04 0.22 0.26 0.00 0.00 0.00 0.00 179.25 179.77 1iri h ALA 350 N 1.04 1.24 -0.36 0.00 0.00 -1.85 0.33 119.26 119.65 1iri h ALA 350 Ca 0.16 -0.17 0.01 0.00 0.00 0.00 0.00 54.91 54.92 1iri h ALA 350 Cb 0.18 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 1iri h ALA 350 CO -0.01 0.56 0.22 -0.92 0.00 0.00 0.00 179.25 179.09 1iri h TYR 351 N 0.94 0.41 0.00 0.00 3.20 -1.17 -2.35 116.97 118.00 1iri h TYR 351 Ca 0.22 0.01 0.00 0.00 3.14 0.00 0.00 58.73 62.10 1iri h TYR 351 Cb 0.18 -0.13 0.00 0.00 1.54 0.00 0.00 36.73 38.31 1iri h TYR 351 CO 0.01 0.24 0.00 0.74 -1.64 0.00 0.00 178.16 177.52 1iri h PHE 352 N 0.44 0.00 -0.15 -3.82 -1.00 -1.17 -0.24 116.94 111.01 1iri h PHE 352 Ca 0.14 0.00 0.02 0.00 2.81 0.00 0.00 57.97 60.94 1iri h PHE 352 Cb -0.01 0.00 -0.02 0.00 3.61 0.00 0.00 35.95 39.53 1iri h PHE 352 CO -0.07 0.00 0.00 1.96 -1.61 0.00 0.00 178.31 178.59 1iri h GLN 353 N 0.00 0.05 0.43 1.51 4.20 -0.42 0.21 115.11 121.08 1iri h GLN 353 Ca 0.00 -0.00 -0.02 0.00 0.06 0.00 0.00 58.65 58.69 1iri h GLN 353 Cb 0.70 -0.01 0.00 0.00 0.30 0.00 0.00 27.48 28.48 1iri h GLN 353 CO 0.00 0.03 -0.20 0.37 -0.67 0.00 0.00 178.83 178.36 1iri h GLN 354 N 0.05 -0.55 -0.93 1.46 4.15 -0.96 -1.14 115.11 117.19 1iri h GLN 354 Ca 0.07 0.04 0.23 0.00 0.77 0.00 0.00 58.65 59.76 1iri h GLN 354 Cb 0.08 0.13 -0.12 0.00 0.21 0.00 0.00 27.48 27.77 1iri h GLN 354 CO -0.12 -0.37 0.46 0.78 -1.93 0.00 0.00 178.83 177.65 1iri h GLY 355 N -0.66 1.65 0.00 2.39 0.00 -1.02 0.49 103.07 105.92 1iri h GLY 355 Ca -0.06 -0.21 -0.01 0.00 0.00 0.00 0.00 47.33 47.05 1iri h GLY 355 CO 0.10 -0.26 -0.16 -1.80 0.00 0.00 0.00 176.54 174.42 1iri h ASP 356 N 0.45 0.00 -0.25 0.19 1.82 -0.68 -3.27 116.42 114.69 1iri h ASP 356 Ca 0.59 -0.24 -0.02 0.00 -0.39 0.00 0.00 57.03 56.96 1iri h ASP 356 Cb 1.12 0.00 -0.01 0.00 0.68 0.00 0.00 39.33 41.12 1iri h ASP 356 CO -0.51 0.71 0.07 0.24 -1.61 0.00 0.00 179.24 178.13 1iri h MET 357 N -1.00 0.39 0.00 0.28 2.86 -1.01 0.67 114.93 117.13 1iri h MET 357 Ca -0.02 -0.09 -0.00 0.00 -2.06 0.00 0.00 59.70 57.52 1iri h MET 357 Cb 0.37 -0.05 -0.00 0.00 0.06 0.00 0.00 31.60 31.98 1iri h MET 357 CO -0.01 0.49 -0.02 1.49 1.06 0.00 0.00 176.91 179.92 1iri h GLU 358 N 0.23 0.00 0.00 1.72 4.81 -1.02 -0.90 114.58 119.42 1iri h GLU 358 Ca 0.08 0.00 -0.11 0.00 -0.13 0.00 0.00 59.36 59.20 1iri h GLU 358 Cb 0.27 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.63 1iri h GLU 358 CO -0.00 0.02 -0.74 0.77 -0.73 0.00 0.00 179.01 178.32 1iri h SER 359 N 0.00 0.00 -0.42 1.04 0.02 -1.36 -3.41 113.55 109.41 1iri h SER 359 Ca -0.00 -0.41 0.00 0.00 -0.84 0.00 0.00 61.79 60.54 1iri h SER 359 Cb 0.19 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.73 1iri h SER 359 CO 0.00 1.13 0.00 0.59 -1.14 0.00 0.00 176.83 177.41 1iri n ASN 360 N -4.54 3.76 -3.92 3.07 3.02 0.14 -4.20 115.26 112.60 1iri n ASN 360 Ca -0.19 -2.41 -0.42 0.00 -0.03 0.00 0.00 54.58 51.52 1iri n ASN 360 Cb 0.48 -0.43 0.00 0.00 -0.61 0.00 0.00 39.78 39.22 1iri n ASN 360 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1iri n GLY 361 N 0.45 4.33 3.13 7.41 0.00 -0.34 -0.55 105.19 119.60 1iri n GLY 361 Ca 0.19 -1.83 -0.10 0.00 0.00 0.00 0.00 46.02 44.27 1iri n GLY 361 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1iri s LYS 362 N 1.94 0.71 0.00 1.61 -0.14 -1.26 -4.98 119.74 117.62 1iri s LYS 362 Ca 0.44 -1.16 0.00 0.00 -1.36 0.00 0.00 55.97 53.89 1iri s LYS 362 Cb 0.10 -0.14 0.00 0.00 -1.68 0.00 0.00 37.83 36.11 1iri s LYS 362 CO -0.03 -0.02 0.39 2.48 -0.76 0.00 0.00 175.35 177.41 1iri n TYR 363 N 0.37 0.00 -4.11 3.18 0.18 -1.26 -4.68 117.16 110.85 1iri n TYR 363 Ca -0.15 -0.04 -0.33 0.00 1.88 0.00 0.00 57.90 59.25 1iri n TYR 363 Cb 0.59 -0.00 -0.16 0.00 -0.38 0.00 0.00 39.34 39.39 1iri n TYR 363 CO 0.00 0.00 0.00 0.42 -2.08 0.00 0.00 176.86 175.20 1iri s ILE 364 N -0.08 2.12 0.96 -3.48 -1.09 -1.26 -1.02 121.20 117.34 1iri s ILE 364 Ca 0.00 -0.92 -0.16 0.00 -2.23 0.00 0.00 60.65 57.34 1iri s ILE 364 Cb 0.00 -1.89 0.19 0.00 -1.58 0.00 0.00 42.46 39.18 1iri s ILE 364 CO 0.00 0.53 1.28 0.42 -1.23 0.00 0.00 174.94 175.94 1iri s THR 365 N 1.30 1.97 0.30 2.92 -4.23 0.11 -4.54 115.64 113.47 1iri s THR 365 Ca 0.05 0.00 0.01 0.00 -1.18 0.00 0.00 61.69 60.57 1iri s THR 365 Cb -0.13 -2.95 0.17 0.00 1.34 0.00 0.00 72.50 70.93 1iri s THR 365 CO -0.13 0.00 1.87 0.50 -0.54 0.00 0.00 174.62 176.32 1iri h LYS 366 N -1.64 0.76 0.00 3.99 3.64 -1.76 -1.10 116.57 120.46 1iri h LYS 366 Ca -0.45 -0.14 0.00 0.00 -1.27 0.00 0.00 60.65 58.80 1iri h LYS 366 Cb 1.25 -0.12 0.00 0.00 -0.41 0.00 0.00 32.23 32.95 1iri h LYS 366 CO 0.42 0.67 0.00 -1.13 -2.27 0.00 0.00 179.45 177.14 1iri n SER 367 N -4.30 0.00 0.00 4.20 3.41 -1.26 -4.84 113.62 110.83 1iri n SER 367 Ca 0.04 -0.37 0.00 0.00 -0.26 0.00 0.00 58.87 58.28 1iri n SER 367 Cb 0.20 -0.14 0.00 0.00 -0.26 0.00 0.00 64.21 64.00 1iri n SER 367 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1iri n GLY 368 N 0.49 0.76 3.72 5.00 0.00 -0.42 -5.03 105.19 109.71 1iri n GLY 368 Ca 0.14 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.74 1iri n GLY 368 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1iri s THR 369 N -2.91 4.73 0.28 2.61 2.01 -1.26 -4.72 115.64 116.39 1iri s THR 369 Ca 0.00 2.05 -0.29 0.00 0.31 0.00 0.00 61.69 63.76 1iri s THR 369 Cb 0.00 -4.32 -0.10 0.00 0.01 0.00 0.00 72.50 68.10 1iri s THR 369 CO 0.00 0.22 1.34 -0.60 -0.69 0.00 0.00 174.62 174.90 1iri s ARG 370 N 0.61 4.34 0.81 4.92 3.52 -1.26 -0.71 118.95 131.19 1iri s ARG 370 Ca 0.50 2.20 -0.11 0.00 -0.13 0.00 0.00 55.73 58.19 1iri s ARG 370 Cb -0.22 -3.11 0.08 0.00 -1.56 0.00 0.00 34.95 30.15 1iri s ARG 370 CO 0.29 -0.26 1.13 0.14 -0.81 0.00 0.00 175.30 175.78 1iri s VAL 371 N -0.54 2.72 -0.17 7.11 -7.23 -0.19 -4.58 120.40 117.52 1iri s VAL 371 Ca 0.53 0.25 0.16 0.00 -1.81 0.00 0.00 61.98 61.12 1iri s VAL 371 Cb -0.40 -2.57 0.44 0.00 0.56 0.00 0.00 36.38 34.41 1iri s VAL 371 CO 0.47 -0.29 1.19 -0.90 -0.31 0.00 0.00 175.10 175.26 1iri n ASP 372 N -3.62 2.01 -3.77 4.85 5.75 -1.26 -4.96 116.55 115.56 1iri n ASP 372 Ca 0.11 -3.15 -0.10 0.00 -0.01 0.00 0.00 54.79 51.64 1iri n ASP 372 Cb 0.52 -0.43 -0.05 0.00 -1.03 0.00 0.00 41.12 40.13 1iri n ASP 372 CO 0.00 0.00 0.00 -1.38 -0.11 0.00 0.00 177.20 175.71 1iri s HIS 373 N -2.43 -0.01 0.59 2.11 -3.43 -1.26 -5.00 115.29 105.85 1iri s HIS 373 Ca 0.38 -0.34 -0.19 0.00 -0.80 0.00 0.00 55.06 54.11 1iri s HIS 373 Cb 0.38 0.23 -0.04 0.00 -1.43 0.00 0.00 32.58 31.72 1iri s HIS 373 CO -0.08 -0.80 1.25 -0.65 -2.00 0.00 0.00 174.74 172.46 1iri s GLN 374 N -3.88 2.96 0.00 -0.38 -1.52 -1.26 -5.04 119.66 110.54 1iri s GLN 374 Ca 0.09 1.94 0.00 0.00 -1.95 0.00 0.00 55.36 55.44 1iri s GLN 374 Cb 0.01 -2.00 0.00 0.00 -0.22 0.00 0.00 33.01 30.80 1iri s GLN 374 CO -0.05 -1.24 0.00 0.25 -0.25 0.00 0.00 175.29 174.00 1iri n THR 375 N -1.49 0.00 -1.39 -0.19 -2.24 -1.26 -4.89 114.28 102.82 1iri n THR 375 Ca 0.13 0.00 -0.44 0.00 -2.27 0.00 0.00 64.05 61.47 1iri n THR 375 Cb 0.48 0.00 -0.01 0.00 -2.10 0.00 0.00 70.33 68.70 1iri n THR 375 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1iri n GLY 376 N 5.00 -1.91 3.94 3.38 0.00 0.28 -5.00 105.19 110.88 1iri n GLY 376 Ca 0.00 0.14 -0.24 0.00 0.00 0.00 0.00 46.02 45.92 1iri n GLY 376 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1iri s PRO 377 N -1.19 3.32 -0.39 1.61 0.04 -1.26 -4.87 135.00 132.26 1iri s PRO 377 Ca 0.62 -0.25 -0.29 0.00 0.04 0.00 0.00 61.00 61.11 1iri s PRO 377 Cb -0.73 -2.54 0.02 0.00 0.04 0.00 0.00 34.50 31.28 1iri s PRO 377 CO 0.59 -0.12 1.23 0.42 0.04 0.00 0.00 177.00 179.17 1iri s ILE 378 N -2.53 4.17 -0.04 0.56 1.01 -0.40 -4.67 121.20 119.31 1iri s ILE 378 Ca 0.45 1.27 -0.17 0.00 0.00 0.00 0.00 60.65 62.19 1iri s ILE 378 Cb -0.10 -4.37 -0.05 0.00 0.01 0.00 0.00 42.46 37.95 1iri s ILE 378 CO 0.39 -0.72 0.48 -0.69 0.00 0.00 0.00 174.94 174.39 1iri s VAL 379 N 4.51 5.05 0.30 2.92 1.01 -1.26 -1.40 120.40 131.53 1iri s VAL 379 Ca 0.53 0.98 -0.13 0.00 0.00 0.00 0.00 61.98 63.35 1iri s VAL 379 Cb -0.12 -3.80 0.01 0.00 0.00 0.00 0.00 36.38 32.47 1iri s VAL 379 CO 0.27 0.45 0.59 -1.66 0.00 0.00 0.00 175.10 174.75 1iri s TRP 380 N -0.26 0.36 0.00 5.22 1.48 -0.85 -4.70 118.94 120.20 1iri s TRP 380 Ca 0.26 -0.78 0.00 0.00 -1.06 0.00 0.00 56.10 54.52 1iri s TRP 380 Cb -0.17 0.37 0.00 0.00 -1.16 0.00 0.00 33.47 32.51 1iri s TRP 380 CO 0.13 -1.19 0.00 0.41 -4.06 0.00 0.00 176.95 172.24 1iri n GLY 381 N -0.47 3.38 3.11 3.67 0.00 -1.26 -0.69 105.19 112.93 1iri n GLY 381 Ca -0.03 -1.07 -0.12 0.00 0.00 0.00 0.00 46.02 44.80 1iri n GLY 381 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1iri s GLU 382 N -2.24 0.67 0.52 1.61 0.41 -1.26 -4.77 118.70 113.63 1iri s GLU 382 Ca 0.00 -1.01 -0.23 0.00 -0.41 0.00 0.00 54.97 53.32 1iri s GLU 382 Cb 0.00 -0.26 -0.06 0.00 -1.78 0.00 0.00 34.13 32.03 1iri s GLU 382 CO 0.00 0.02 1.35 -2.30 -0.49 0.00 0.00 175.26 173.84 1iri n PRO 383 N 0.80 1.80 -2.85 0.39 -0.02 -1.26 -4.43 135.00 129.43 1iri n PRO 383 Ca -0.18 0.66 -0.33 0.00 -2.02 0.00 0.00 63.50 61.62 1iri n PRO 383 Cb 0.57 -2.55 -0.07 0.00 -0.02 0.00 0.00 33.50 31.43 1iri n PRO 383 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 1iri s GLY 384 N -0.79 2.43 0.00 -1.23 0.00 -0.20 -2.42 107.32 105.10 1iri s GLY 384 Ca 0.69 0.38 0.23 0.00 0.00 0.00 0.00 44.72 46.01 1iri s GLY 384 CO 0.52 0.67 1.55 -1.30 0.00 0.00 0.00 173.10 174.53 1iri n THR 385 N -0.48 0.19 -0.12 0.90 -2.24 -1.26 -3.74 114.28 107.53 1iri n THR 385 Ca 0.06 -0.39 -0.05 0.00 -2.27 0.00 0.00 64.05 61.40 1iri n THR 385 Cb 0.53 0.56 0.03 0.00 -2.10 0.00 0.00 70.33 69.35 1iri n THR 385 CO 0.00 0.00 0.00 0.78 -0.57 0.00 0.00 175.07 175.28 1iri h ASN 386 N 2.73 -0.16 -0.59 3.42 4.21 -1.84 0.43 115.58 123.78 1iri h ASN 386 Ca 0.00 0.09 0.17 0.00 1.21 0.00 0.00 56.30 57.77 1iri h ASN 386 Cb 0.59 0.16 -0.02 0.00 -1.12 0.00 0.00 38.32 37.93 1iri h ASN 386 CO 0.00 -0.05 0.60 1.23 -1.29 0.00 0.00 177.43 177.92 1iri h GLY 387 N 0.10 0.00 2.00 2.83 0.00 -1.80 0.18 103.07 106.38 1iri h GLY 387 Ca 0.19 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.51 1iri h GLY 387 CO -0.33 0.00 -0.08 1.46 0.00 0.00 0.00 176.54 177.60 1iri h GLN 388 N 0.00 0.00 -0.34 4.80 4.20 -1.22 -1.07 115.11 121.48 1iri h GLN 388 Ca 0.28 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.99 1iri h GLN 388 Cb 1.48 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.26 1iri h GLN 388 CO -0.00 0.08 0.00 0.72 -0.67 0.00 0.00 178.83 178.96 1iri n HIS 389 N -3.65 0.43 0.00 2.96 8.25 0.61 -4.51 115.22 119.31 1iri n HIS 389 Ca -0.02 -0.29 0.00 0.00 -0.26 0.00 0.00 57.72 57.15 1iri n HIS 389 Cb 0.19 -0.01 0.00 0.00 1.12 0.00 0.00 29.99 31.29 1iri n HIS 389 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1iri n ALA 390 N 1.08 0.32 1.22 -1.41 0.00 -0.75 -4.99 120.51 115.99 1iri n ALA 390 Ca 0.15 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.72 1iri n ALA 390 Cb 0.50 0.00 0.43 0.00 0.00 0.00 0.00 19.45 20.38 1iri n ALA 390 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 177.50 179.47 1iri n PHE 391 N 0.00 0.00 0.29 0.00 1.16 -0.93 -3.77 117.46 114.21 1iri n PHE 391 Ca 0.00 0.00 0.15 0.00 -1.87 0.00 0.00 57.45 55.73 1iri n PHE 391 Cb 0.00 -0.20 0.91 0.00 -1.61 0.00 0.00 39.48 38.58 1iri n PHE 391 CO 0.00 0.00 0.00 1.88 -1.87 0.00 0.00 176.76 176.77 1iri h TYR 392 N 0.66 0.00 -0.63 2.97 -1.99 -1.46 -1.01 116.97 115.51 1iri h TYR 392 Ca 0.00 0.00 0.12 0.00 2.00 0.00 0.00 58.73 60.85 1iri h TYR 392 Cb 0.46 0.00 -0.09 0.00 2.00 0.00 0.00 36.73 39.10 1iri h TYR 392 CO 0.00 0.00 0.14 0.37 -0.00 0.00 0.00 178.16 178.67 1iri h GLN 393 N 0.00 0.26 -0.21 4.88 5.75 -1.83 0.88 115.11 124.84 1iri h GLN 393 Ca 0.01 -0.02 -0.07 0.00 -0.15 0.00 0.00 58.65 58.43 1iri h GLN 393 Cb 0.06 -0.06 -0.00 0.00 1.07 0.00 0.00 27.48 28.55 1iri h GLN 393 CO -0.00 0.17 -0.13 1.25 -2.65 0.00 0.00 178.83 177.47 1iri h LEU 394 N 0.27 0.48 -0.72 -2.39 6.46 -1.47 0.93 115.31 118.87 1iri h LEU 394 Ca 0.33 -0.43 0.09 0.00 -0.12 0.00 0.00 57.88 57.75 1iri h LEU 394 Cb 0.51 -0.13 -0.07 0.00 -0.73 0.00 0.00 40.66 40.24 1iri h LEU 394 CO -0.42 0.81 0.37 0.40 -0.62 0.00 0.00 178.44 178.98 1iri h ILE 395 N 0.15 0.88 0.08 4.05 2.04 -1.22 0.30 117.51 123.79 1iri h ILE 395 Ca 0.04 -0.22 -0.17 0.00 1.00 0.00 0.00 64.86 65.51 1iri h ILE 395 Cb 0.65 0.18 0.02 0.00 -0.74 0.00 0.00 36.82 36.92 1iri h ILE 395 CO 0.04 0.12 -0.72 0.45 0.00 0.00 0.00 178.15 178.03 1iri h HIS 396 N 0.64 0.57 0.00 1.37 3.86 -0.86 -3.42 115.15 117.32 1iri h HIS 396 Ca 0.35 -0.37 0.00 0.00 -1.16 0.00 0.00 60.37 59.19 1iri h HIS 396 Cb 0.34 -0.04 0.00 0.00 1.06 0.00 0.00 27.41 28.76 1iri h HIS 396 CO -0.10 1.24 -0.08 1.04 0.86 0.00 0.00 177.93 180.89 1iri n GLN 397 N -4.17 1.45 0.00 2.45 6.02 0.32 -4.63 117.38 118.82 1iri n GLN 397 Ca -0.12 -1.76 0.00 0.00 -0.01 0.00 0.00 57.00 55.11 1iri n GLN 397 Cb 0.76 -1.07 0.00 0.00 1.02 0.00 0.00 30.24 30.94 1iri n GLN 397 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1iri n GLY 398 N -0.76 1.10 0.45 1.08 0.00 0.10 -4.92 105.19 102.24 1iri n GLY 398 Ca 0.07 -1.73 0.06 0.00 0.00 0.00 0.00 46.02 44.42 1iri n GLY 398 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1iri n THR 399 N 0.00 1.37 -4.63 2.61 -2.24 -1.26 -5.03 114.28 105.10 1iri n THR 399 Ca 0.00 -1.90 -0.30 0.00 -2.27 0.00 0.00 64.05 59.57 1iri n THR 399 Cb 0.00 0.05 -0.13 0.00 -2.10 0.00 0.00 70.33 68.15 1iri n THR 399 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1iri s LYS 400 N -2.05 1.96 -0.23 -0.78 3.01 -1.26 -5.11 119.74 115.27 1iri s LYS 400 Ca 0.27 -1.05 -0.12 0.00 -1.01 0.00 0.00 55.97 54.07 1iri s LYS 400 Cb 0.26 -2.13 -0.05 0.00 -1.01 0.00 0.00 37.83 34.90 1iri s LYS 400 CO -0.02 0.52 0.22 1.41 0.51 0.00 0.00 175.35 177.99 1iri s MET 401 N -1.54 4.11 -0.30 1.68 -2.45 -1.26 -4.92 119.30 114.61 1iri s MET 401 Ca 0.15 -0.15 -0.02 0.00 -1.25 0.00 0.00 55.69 54.42 1iri s MET 401 Cb -0.10 -3.53 0.10 0.00 1.25 0.00 0.00 34.83 32.55 1iri s MET 401 CO 0.06 0.05 0.11 0.42 1.05 0.00 0.00 175.02 176.71 1iri s ILE 402 N 1.06 0.57 0.14 10.11 1.01 -1.26 -4.73 121.20 128.10 1iri s ILE 402 Ca 0.10 -1.17 -0.32 0.00 0.00 0.00 0.00 60.65 59.26 1iri s ILE 402 Cb -0.14 -1.43 -0.11 0.00 0.01 0.00 0.00 42.46 40.79 1iri s ILE 402 CO 0.05 -0.68 1.79 -2.65 0.00 0.00 0.00 174.94 173.45 1iri n PRO 403 N 4.98 2.70 -5.11 2.79 -0.02 -1.26 -4.78 135.00 134.30 1iri n PRO 403 Ca -0.03 0.98 -0.31 0.00 -2.02 0.00 0.00 63.50 62.11 1iri n PRO 403 Cb 0.42 -2.85 -0.15 0.00 -0.02 0.00 0.00 33.50 30.90 1iri n PRO 403 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1iri s ASP 405 N -0.79 5.11 -0.26 0.00 1.01 -0.12 -0.88 116.67 120.74 1iri s ASP 405 Ca 0.11 -0.26 -0.13 0.00 0.71 0.00 0.00 52.55 52.98 1iri s ASP 405 Cb -0.10 -1.92 -0.04 0.00 1.01 0.00 0.00 42.92 41.87 1iri s ASP 405 CO 0.00 -0.05 0.29 -0.36 0.21 0.00 0.00 175.17 175.27 1iri s PHE 406 N 1.60 3.27 0.02 4.23 0.40 -0.20 -1.01 117.98 126.28 1iri s PHE 406 Ca 0.06 0.33 0.06 0.00 -0.60 0.00 0.00 56.93 56.78 1iri s PHE 406 Cb -0.15 -2.47 -0.03 0.00 0.51 0.00 0.00 43.02 40.88 1iri s PHE 406 CO 0.03 -0.14 -0.15 -0.51 0.70 0.00 0.00 175.22 175.15 1iri s LEU 407 N 1.73 2.72 -0.21 -0.37 1.02 -0.90 0.59 118.68 123.25 1iri s LEU 407 Ca 0.12 -0.33 -0.28 0.00 0.02 0.00 0.00 54.13 53.66 1iri s LEU 407 Cb -0.15 -1.58 0.12 0.00 0.02 0.00 0.00 46.19 44.60 1iri s LEU 407 CO 0.09 0.28 0.98 -0.51 0.02 0.00 0.00 176.35 177.21 1iri s ILE 408 N -0.89 0.00 0.08 -0.59 2.07 0.06 -0.56 121.20 121.37 1iri s ILE 408 Ca 0.14 0.00 -0.26 0.00 -1.41 0.00 0.00 60.65 59.13 1iri s ILE 408 Cb -0.11 -1.00 -0.06 0.00 0.13 0.00 0.00 42.46 41.42 1iri s ILE 408 CO 0.05 0.00 0.80 -2.16 -1.91 0.00 0.00 174.94 171.72 1iri s PRO 409 N -0.40 4.55 0.15 3.50 0.04 -1.26 -1.41 135.00 140.16 1iri s PRO 409 Ca -0.00 1.15 -0.13 0.00 0.04 0.00 0.00 61.00 62.06 1iri s PRO 409 Cb -0.03 -3.34 0.02 0.00 0.04 0.00 0.00 34.50 31.19 1iri s PRO 409 CO -0.01 0.33 1.64 0.28 0.04 0.00 0.00 177.00 179.27 1iri h VAL 410 N 3.94 1.25 -3.08 -0.36 2.07 -0.01 -3.43 116.25 116.63 1iri h VAL 410 Ca -0.44 -0.91 -0.64 0.00 0.82 0.00 0.00 66.70 65.53 1iri h VAL 410 Cb 1.21 0.89 -0.12 0.00 -1.52 0.00 0.00 31.29 31.74 1iri h VAL 410 CO 0.70 0.32 -0.53 -1.10 0.02 0.00 0.00 177.57 176.98 1iri s GLN 411 N -5.22 3.67 0.11 1.57 -0.21 0.13 -5.02 119.66 114.69 1iri s GLN 411 Ca -0.13 -0.26 -0.00 0.00 0.02 0.00 0.00 55.36 54.99 1iri s GLN 411 Cb 0.11 -3.17 -0.04 0.00 1.00 0.00 0.00 33.01 30.91 1iri s GLN 411 CO 0.80 0.52 0.28 -0.08 -2.12 0.00 0.00 175.29 174.68 1iri s THR 412 N -0.31 5.32 -0.25 -0.19 -1.32 -1.26 -4.37 115.64 113.27 1iri s THR 412 Ca 0.10 -0.39 0.28 0.00 -1.21 0.00 0.00 61.69 60.47 1iri s THR 412 Cb -0.12 -3.67 0.34 0.00 -1.51 0.00 0.00 72.50 67.55 1iri s THR 412 CO 0.01 0.03 1.81 1.56 -2.21 0.00 0.00 174.62 175.82 1iri h GLN 413 N 2.69 0.00 -2.61 7.08 1.08 -1.98 -3.38 115.11 117.99 1iri h GLN 413 Ca -0.46 0.00 -0.60 0.00 -1.45 0.00 0.00 58.65 56.14 1iri h GLN 413 Cb 1.17 0.00 -0.39 0.00 -0.05 0.00 0.00 27.48 28.21 1iri h GLN 413 CO 0.73 0.00 -0.85 -1.01 -0.95 0.00 0.00 178.83 176.75 1iri s HIS 414 N -3.41 1.72 -1.46 2.96 3.76 -1.26 -5.02 115.29 112.59 1iri s HIS 414 Ca 0.04 -2.51 -0.12 0.00 -0.15 0.00 0.00 55.06 52.33 1iri s HIS 414 Cb 0.08 -1.43 0.04 0.00 1.11 0.00 0.00 32.58 32.38 1iri s HIS 414 CO 0.57 -0.76 2.33 -0.35 -0.85 0.00 0.00 174.74 175.68 1iri n PRO 415 N 2.82 3.27 -1.55 8.40 -0.04 -1.26 -4.91 135.00 141.73 1iri n PRO 415 Ca 0.24 -2.73 -0.30 0.00 -0.04 0.00 0.00 63.50 60.66 1iri n PRO 415 Cb 0.43 -3.08 0.08 0.00 -0.04 0.00 0.00 33.50 30.88 1iri n PRO 415 CO 0.00 0.00 0.00 0.96 -0.04 0.00 0.00 175.50 176.42 1iri s ILE 416 N 2.23 3.31 -1.50 0.52 -4.36 -1.26 -3.47 121.20 116.66 1iri s ILE 416 Ca 0.51 0.42 0.00 0.00 -0.26 0.00 0.00 60.65 61.32 1iri s ILE 416 Cb 0.14 -3.16 0.00 0.00 1.25 0.00 0.00 42.46 40.69 1iri s ILE 416 CO -0.07 -0.56 0.00 0.54 0.24 0.00 0.00 174.94 175.10 1iri n ARG 417 N -3.36 -1.43 -2.35 0.37 5.12 -1.26 -1.31 116.66 112.44 1iri n ARG 417 Ca 0.07 0.83 -0.02 0.00 -1.93 0.00 0.00 57.85 56.81 1iri n ARG 417 Cb 0.55 -5.16 0.00 0.00 -1.16 0.00 0.00 32.46 26.70 1iri n ARG 417 CO 0.00 0.00 0.00 1.63 -1.93 0.00 0.00 177.63 177.33 1iri n LYS 418 N -2.09 -0.42 -0.94 5.56 4.76 -1.25 -3.48 118.16 120.29 1iri n LYS 418 Ca -0.15 0.07 0.00 0.00 -2.87 0.00 0.00 58.31 55.36 1iri n LYS 418 Cb 0.50 -3.17 0.00 0.00 -1.84 0.00 0.00 35.03 30.52 1iri n LYS 418 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1iri n GLY 419 N -0.79 0.66 0.16 0.72 0.00 -0.43 -4.96 105.19 100.56 1iri n GLY 419 Ca -0.01 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.94 1iri n GLY 419 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1iri h LEU 420 N 0.00 0.24 -0.60 0.99 5.85 -1.58 -2.05 115.31 118.16 1iri h LEU 420 Ca 0.00 0.02 -0.05 0.00 0.84 0.00 0.00 57.88 58.69 1iri h LEU 420 Cb 0.00 -0.02 -0.03 0.00 0.37 0.00 0.00 40.66 40.98 1iri h LEU 420 CO 0.00 0.18 0.19 0.45 -0.34 0.00 0.00 178.44 178.92 1iri h HIS 421 N 0.35 0.96 0.00 1.25 3.86 -1.89 -2.26 115.15 117.42 1iri h HIS 421 Ca 0.15 -0.09 -0.08 0.00 -1.16 0.00 0.00 60.37 59.19 1iri h HIS 421 Cb 0.07 -0.28 -0.01 0.00 1.06 0.00 0.00 27.41 28.25 1iri h HIS 421 CO -0.11 0.79 -0.38 1.25 0.86 0.00 0.00 177.93 180.34 1iri h HIS 422 N 0.84 0.00 -0.17 2.45 -0.00 -1.85 -1.94 115.15 114.48 1iri h HIS 422 Ca 0.19 0.00 -0.04 0.00 -0.00 0.00 0.00 60.37 60.52 1iri h HIS 422 Cb 0.28 0.00 -0.00 0.00 -0.00 0.00 0.00 27.41 27.68 1iri h HIS 422 CO 0.02 0.38 -0.06 -0.22 -0.00 0.00 0.00 177.93 178.05 1iri h LYS 423 N 0.00 0.33 -0.62 5.26 3.64 -0.92 0.10 116.57 124.36 1iri h LYS 423 Ca -0.00 -0.14 -0.02 0.00 -1.27 0.00 0.00 60.65 59.22 1iri h LYS 423 Cb 0.77 -0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 32.54 1iri h LYS 423 CO 0.05 0.63 0.32 0.82 -2.27 0.00 0.00 179.45 179.00 1iri h ILE 424 N 0.03 1.21 -0.26 2.00 2.04 -1.22 -0.69 117.51 120.62 1iri h ILE 424 Ca 0.04 -0.56 0.03 0.00 1.00 0.00 0.00 64.86 65.37 1iri h ILE 424 Cb 0.52 0.44 -0.03 0.00 -0.74 0.00 0.00 36.82 37.00 1iri h ILE 424 CO 0.02 0.23 0.08 0.25 0.00 0.00 0.00 178.15 178.74 1iri h LEU 425 N 0.85 0.09 -0.75 1.44 5.85 -1.06 -0.96 115.31 120.77 1iri h LEU 425 Ca 0.22 0.03 -0.00 0.00 0.84 0.00 0.00 57.88 58.96 1iri h LEU 425 Cb 0.08 0.02 -0.04 0.00 0.37 0.00 0.00 40.66 41.10 1iri h LEU 425 CO -0.03 0.08 0.46 -0.07 -0.34 0.00 0.00 178.44 178.54 1iri h LEU 426 N 0.20 0.90 -0.57 2.25 3.38 -0.31 -0.79 115.31 120.37 1iri h LEU 426 Ca 0.11 -0.06 -0.01 0.00 0.09 0.00 0.00 57.88 58.02 1iri h LEU 426 Cb 0.09 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.58 1iri h LEU 426 CO -0.12 0.69 0.31 0.00 0.09 0.00 0.00 178.44 179.41 1iri h ALA 427 N 1.25 0.73 -0.10 1.53 0.00 -0.27 0.07 119.26 122.46 1iri h ALA 427 Ca 0.27 -0.10 -0.00 0.00 0.00 0.00 0.00 54.91 55.08 1iri h ALA 427 Cb -0.05 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 17.51 1iri h ALA 427 CO -0.05 0.24 0.06 -0.91 0.00 0.00 0.00 179.25 178.59 1iri h ASN 428 N 0.77 0.13 -0.60 0.00 2.35 -0.91 0.19 115.58 117.51 1iri h ASN 428 Ca 0.20 -0.07 0.12 0.00 -0.55 0.00 0.00 56.30 56.00 1iri h ASN 428 Cb 0.04 -0.03 -0.12 0.00 0.05 0.00 0.00 38.32 38.26 1iri h ASN 428 CO -0.03 0.16 -0.24 0.15 -1.65 0.00 0.00 177.43 175.82 1iri h PHE 429 N 0.09 -0.61 -0.15 1.19 3.57 -0.47 0.59 116.94 121.13 1iri h PHE 429 Ca 0.04 0.06 -0.03 0.00 3.53 0.00 0.00 57.97 61.57 1iri h PHE 429 Cb 0.06 0.36 -0.00 0.00 2.79 0.00 0.00 35.95 39.15 1iri h PHE 429 CO -0.05 -0.33 -0.04 -0.07 -2.23 0.00 0.00 178.31 175.59 1iri h LEU 430 N -0.09 0.30 -0.65 0.59 3.38 -0.78 -3.23 115.31 114.83 1iri h LEU 430 Ca 0.27 -0.37 -0.13 0.00 0.09 0.00 0.00 57.88 57.74 1iri h LEU 430 Cb 0.51 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.17 1iri h LEU 430 CO -0.66 0.60 -0.35 0.00 0.09 0.00 0.00 178.44 178.12 1iri h ALA 431 N 0.71 0.83 -0.56 1.53 0.00 -0.05 -2.49 119.26 119.22 1iri h ALA 431 Ca 0.04 -0.42 -0.00 0.00 0.00 0.00 0.00 54.91 54.52 1iri h ALA 431 Cb 0.47 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.11 1iri h ALA 431 CO 0.02 0.64 0.34 1.96 0.00 0.00 0.00 179.25 182.21 1iri h GLN 432 N 0.56 0.76 -0.37 0.00 1.08 -0.95 0.15 115.11 116.35 1iri h GLN 432 Ca 0.06 -0.07 -0.15 0.00 -1.45 0.00 0.00 58.65 57.04 1iri h GLN 432 Cb 0.86 -0.16 -0.01 0.00 -0.05 0.00 0.00 27.48 28.13 1iri h GLN 432 CO 0.07 0.55 -0.37 1.79 -0.95 0.00 0.00 178.83 179.92 1iri h THR 433 N 0.75 1.28 -0.02 -0.54 1.35 -1.56 -1.37 112.91 112.81 1iri h THR 433 Ca 0.20 -1.54 0.03 0.00 -0.55 0.00 0.00 66.41 64.55 1iri h THR 433 Cb -0.02 1.38 -0.05 0.00 -1.73 0.00 0.00 68.15 67.73 1iri h THR 433 CO -0.04 0.51 -0.33 -0.08 -0.25 0.00 0.00 175.52 175.34 1iri h GLU 434 N 0.72 -0.45 -0.81 4.72 4.81 -1.15 -1.75 114.58 120.66 1iri h GLU 434 Ca 0.06 0.03 -0.03 0.00 -0.13 0.00 0.00 59.36 59.29 1iri h GLU 434 Cb 0.95 0.10 -0.04 0.00 0.63 0.00 0.00 28.75 30.39 1iri h GLU 434 CO 0.09 -0.30 0.38 0.00 -0.73 0.00 0.00 179.01 178.45 1iri h ALA 435 N 0.25 1.14 0.00 2.92 0.00 -0.58 0.10 119.26 123.09 1iri h ALA 435 Ca 0.06 -0.16 -0.02 0.00 0.00 0.00 0.00 54.91 54.79 1iri h ALA 435 Cb 0.57 -0.32 -0.00 0.00 0.00 0.00 0.00 17.79 18.03 1iri h ALA 435 CO -0.28 0.65 -0.10 -0.07 0.00 0.00 0.00 179.25 179.45 1iri h LEU 436 N 1.16 0.00 0.00 0.00 3.38 -0.93 -0.50 115.31 118.42 1iri h LEU 436 Ca 0.28 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.22 1iri h LEU 436 Cb 0.13 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.87 1iri h LEU 436 CO -0.03 0.10 -0.19 -0.03 0.09 0.00 0.00 178.44 178.38 1iri h MET 437 N 0.00 0.00 0.05 1.13 4.05 -0.38 0.84 114.93 120.62 1iri h MET 437 Ca -0.00 0.00 -0.26 0.00 -0.28 0.00 0.00 59.70 59.16 1iri h MET 437 Cb 0.23 0.00 -0.02 0.00 -0.80 0.00 0.00 31.60 31.01 1iri h MET 437 CO 0.01 0.77 -1.26 0.00 0.23 0.00 0.00 176.91 176.65 1iri h ARG 438 N -1.00 0.11 0.00 0.39 2.47 -0.79 -0.36 114.38 115.20 1iri h ARG 438 Ca -0.05 -0.19 0.00 0.00 -1.26 0.00 0.00 59.98 58.48 1iri h ARG 438 Cb 0.83 0.07 0.00 0.00 -1.65 0.00 0.00 29.97 29.22 1iri h ARG 438 CO -0.03 1.00 0.00 0.41 0.56 0.00 0.00 179.97 181.91 1iri n GLY 439 N 1.49 0.32 3.06 0.04 0.00 -0.21 -4.67 105.19 105.21 1iri n GLY 439 Ca -0.08 -0.92 -0.11 0.00 0.00 0.00 0.00 46.02 44.91 1iri n GLY 439 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1iri s LYS 440 N 0.00 0.25 0.84 1.61 2.20 0.09 -4.91 119.74 119.82 1iri s LYS 440 Ca 0.00 0.77 -0.12 0.00 -0.36 0.00 0.00 55.97 56.27 1iri s LYS 440 Cb 0.00 -0.07 0.09 0.00 -1.51 0.00 0.00 37.83 36.34 1iri s LYS 440 CO 0.00 -0.37 1.10 -1.54 -0.36 0.00 0.00 175.35 174.18 1iri s SER 441 N 2.51 4.09 0.25 1.43 1.04 -1.26 -1.14 113.70 120.61 1iri s SER 441 Ca 0.03 1.29 -0.04 0.00 0.48 0.00 0.00 55.95 57.71 1iri s SER 441 Cb -0.13 -1.99 0.41 0.00 0.10 0.00 0.00 66.02 64.41 1iri s SER 441 CO -0.12 -2.22 1.80 0.74 0.98 0.00 0.00 173.24 174.42 1iri h THR 442 N -1.27 0.87 -0.00 2.02 2.02 -1.95 -0.59 112.91 114.01 1iri h THR 442 Ca -0.48 -0.26 -0.00 0.00 0.77 0.00 0.00 66.41 66.44 1iri h THR 442 Cb 1.28 0.06 -0.00 0.00 -1.74 0.00 0.00 68.15 67.75 1iri h THR 442 CO 0.59 0.14 0.00 -0.08 0.37 0.00 0.00 175.52 176.53 1iri h GLU 443 N 0.75 0.00 -0.72 6.66 4.81 -1.99 0.22 114.58 124.31 1iri h GLU 443 Ca 0.40 -0.00 -0.05 0.00 -0.13 0.00 0.00 59.36 59.59 1iri h GLU 443 Cb 0.41 -0.00 -0.03 0.00 0.63 0.00 0.00 28.75 29.76 1iri h GLU 443 CO -0.27 0.13 0.27 0.93 -0.73 0.00 0.00 179.01 179.34 1iri h GLU 444 N -0.13 1.09 -0.37 1.92 5.08 -1.83 -0.75 114.58 119.59 1iri h GLU 444 Ca 0.00 -0.20 -0.03 0.00 -1.00 0.00 0.00 59.36 58.13 1iri h GLU 444 Cb 0.13 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 29.19 1iri h GLU 444 CO -0.00 0.90 0.12 0.00 -1.00 0.00 0.00 179.01 179.02 1iri h ALA 445 N 1.23 0.49 -0.81 3.43 0.00 -0.88 -2.19 119.26 120.53 1iri h ALA 445 Ca 0.24 -0.16 0.02 0.00 0.00 0.00 0.00 54.91 55.01 1iri h ALA 445 Cb 0.23 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 17.83 1iri h ALA 445 CO -0.02 0.13 0.53 -0.09 0.00 0.00 0.00 179.25 179.80 1iri h ARG 446 N 0.45 1.03 -0.22 0.00 2.43 0.11 -1.25 114.38 116.93 1iri h ARG 446 Ca 0.12 -0.06 0.04 0.00 -0.81 0.00 0.00 59.98 59.27 1iri h ARG 446 Cb 0.25 -0.23 -0.04 0.00 -0.42 0.00 0.00 29.97 29.53 1iri h ARG 446 CO -0.00 0.68 -0.02 -0.22 -1.51 0.00 0.00 179.97 178.90 1iri h LYS 447 N 1.06 0.04 -0.57 0.20 1.63 -0.85 -1.29 116.57 116.79 1iri h LYS 447 Ca 0.31 -0.00 0.03 0.00 -0.85 0.00 0.00 60.65 60.13 1iri h LYS 447 Cb -0.07 -0.01 -0.04 0.00 -0.60 0.00 0.00 32.23 31.51 1iri h LYS 447 CO -0.08 0.03 0.35 0.93 -3.45 0.00 0.00 179.45 177.22 1iri h GLU 448 N 0.04 0.67 -0.67 1.90 5.08 -0.75 0.18 114.58 121.03 1iri h GLU 448 Ca 0.11 -0.04 -0.03 0.00 -1.00 0.00 0.00 59.36 58.40 1iri h GLU 448 Cb 0.15 -0.15 -0.03 0.00 0.50 0.00 0.00 28.75 29.21 1iri h GLU 448 CO -0.20 0.44 0.29 -0.07 -1.00 0.00 0.00 179.01 178.47 1iri h LEU 449 N 0.69 0.88 0.14 1.33 3.38 -0.91 -1.84 115.31 118.97 1iri h LEU 449 Ca 0.23 -0.11 -0.01 0.00 0.09 0.00 0.00 57.88 58.08 1iri h LEU 449 Cb 0.02 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 40.55 1iri h LEU 449 CO -0.10 0.77 -0.07 -0.61 0.09 0.00 0.00 178.44 178.53 1iri h GLN 450 N 0.96 -0.18 0.00 1.13 4.15 -0.75 -2.53 115.11 117.89 1iri h GLN 450 Ca 0.23 0.01 0.00 0.00 0.77 0.00 0.00 58.65 59.66 1iri h GLN 450 Cb 0.15 0.04 0.00 0.00 0.21 0.00 0.00 27.48 27.88 1iri h GLN 450 CO -0.02 0.23 0.09 0.00 -1.93 0.00 0.00 178.83 177.20 1iri n ALA 451 N -2.43 0.90 1.10 3.38 0.00 0.60 -0.51 120.51 123.54 1iri n ALA 451 Ca -0.09 0.14 0.12 0.00 0.00 0.00 0.00 53.44 53.62 1iri n ALA 451 Cb 0.25 -1.10 0.15 0.00 0.00 0.00 0.00 19.45 18.75 1iri n ALA 451 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1iri n ALA 452 N -1.66 3.13 -0.52 0.00 0.00 -0.71 -4.96 120.51 115.80 1iri n ALA 452 Ca -0.01 -0.59 0.00 0.00 0.00 0.00 0.00 53.44 52.84 1iri n ALA 452 Cb 0.11 -0.90 0.00 0.00 0.00 0.00 0.00 19.45 18.66 1iri n ALA 452 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1iri n GLY 453 N 1.36 0.70 3.79 0.00 0.00 0.33 -5.06 105.19 106.31 1iri n GLY 453 Ca 0.12 -0.41 -0.36 0.00 0.00 0.00 0.00 46.02 45.37 1iri n GLY 453 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1iri s LYS 454 N -0.88 4.11 0.40 1.61 -0.14 -0.98 -5.04 119.74 118.82 1iri s LYS 454 Ca 0.00 1.46 -0.09 0.00 -1.36 0.00 0.00 55.97 55.99 1iri s LYS 454 Cb 0.00 -2.45 -0.06 0.00 -1.68 0.00 0.00 37.83 33.64 1iri s LYS 454 CO 0.00 -0.18 0.74 -1.54 -0.76 0.00 0.00 175.35 173.61 1iri s SER 455 N -1.67 6.46 0.16 2.83 1.04 -1.26 -4.75 113.70 116.51 1iri s SER 455 Ca 0.59 1.03 -0.28 0.00 0.48 0.00 0.00 55.95 57.77 1iri s SER 455 Cb -0.20 -2.28 -0.01 0.00 0.10 0.00 0.00 66.02 63.62 1iri s SER 455 CO 0.25 -0.41 1.56 -0.65 0.98 0.00 0.00 173.24 174.98 1iri h PRO 456 N 1.11 -0.22 -0.59 4.02 0.11 -1.98 1.03 132.00 135.47 1iri h PRO 456 Ca -0.47 0.02 0.04 0.00 0.11 0.00 0.00 66.00 65.70 1iri h PRO 456 Cb 1.19 0.05 -0.05 0.00 0.11 0.00 0.00 31.00 32.31 1iri h PRO 456 CO 0.64 -0.15 0.33 1.05 -0.21 0.00 0.00 178.00 179.66 1iri h GLU 457 N -0.23 0.62 -0.13 1.05 9.09 -1.99 0.22 114.58 123.21 1iri h GLU 457 Ca 0.15 -0.04 -0.01 0.00 0.05 0.00 0.00 59.36 59.52 1iri h GLU 457 Cb 0.55 -0.14 -0.01 0.00 -1.65 0.00 0.00 28.75 27.51 1iri h GLU 457 CO -0.71 0.41 0.04 -0.44 0.05 0.00 0.00 179.01 178.36 1iri h ASP 458 N 0.64 0.18 -0.41 3.06 5.19 -1.23 -2.77 116.42 121.08 1iri h ASP 458 Ca 0.26 -0.19 0.01 0.00 -0.62 0.00 0.00 57.03 56.49 1iri h ASP 458 Cb 0.12 -0.05 -0.02 0.00 0.18 0.00 0.00 39.33 39.55 1iri h ASP 458 CO -0.15 0.32 0.25 0.25 -3.12 0.00 0.00 179.24 176.79 1iri h LEU 459 N 0.03 0.42 -0.46 1.55 6.46 0.14 -2.60 115.31 120.86 1iri h LEU 459 Ca 0.04 -0.00 -0.00 0.00 -0.12 0.00 0.00 57.88 57.80 1iri h LEU 459 Cb 0.20 -0.09 -0.02 0.00 -0.73 0.00 0.00 40.66 40.01 1iri h LEU 459 CO -0.00 0.30 0.29 -0.08 -0.62 0.00 0.00 178.44 178.33 1iri h GLU 460 N 0.52 0.62 0.00 1.25 4.81 -0.54 0.44 114.58 121.68 1iri h GLU 460 Ca 0.16 -0.05 -0.04 0.00 -0.13 0.00 0.00 59.36 59.30 1iri h GLU 460 Cb -0.02 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 29.22 1iri h GLU 460 CO -0.06 0.44 -0.18 0.00 -0.73 0.00 0.00 179.01 178.48 1iri h ARG 461 N 0.62 0.00 0.03 1.92 3.08 -1.38 -3.22 114.38 115.42 1iri h ARG 461 Ca 0.17 0.00 -0.34 0.00 0.07 0.00 0.00 59.98 59.87 1iri h ARG 461 Cb -0.03 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 29.97 1iri h ARG 461 CO -0.03 0.18 -2.06 -0.11 -1.07 0.00 0.00 179.97 176.88 1iri n LEU 462 N -3.30 1.51 -0.21 3.04 7.94 -0.88 -4.63 117.00 120.46 1iri n LEU 462 Ca 0.01 0.18 -0.05 0.00 -1.11 0.00 0.00 56.01 55.04 1iri n LEU 462 Cb 0.43 -0.28 0.01 0.00 0.53 0.00 0.00 43.42 44.10 1iri n LEU 462 CO 0.32 0.63 0.62 0.25 -1.11 0.00 0.00 177.39 178.11 1iri h LEU 463 N 0.02 -1.19 -1.75 -1.96 5.85 -0.14 -1.27 115.31 114.86 1iri h LEU 463 Ca -0.43 0.23 -0.03 0.00 0.84 0.00 0.00 57.88 58.49 1iri h LEU 463 Cb 2.05 0.59 -0.00 0.00 0.37 0.00 0.00 40.66 43.67 1iri h LEU 463 CO 0.04 -0.30 -0.16 -0.65 -0.34 0.00 0.00 178.44 177.03 1iri h PRO 464 N -0.15 0.00 0.00 5.25 0.11 -1.82 -2.42 132.00 132.96 1iri h PRO 464 Ca 0.24 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.34 1iri h PRO 464 Cb 0.55 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.66 1iri h PRO 464 CO -0.70 0.16 -0.04 0.45 -0.21 0.00 0.00 178.00 177.66 1iri h HIS 465 N 0.00 0.00 -0.48 0.65 3.86 -1.51 -3.02 115.15 114.65 1iri h HIS 465 Ca -0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 1iri h HIS 465 Cb 0.30 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.77 1iri h HIS 465 CO 0.00 0.04 0.00 1.63 0.86 0.00 0.00 177.93 180.46 1iri n LYS 466 N -3.12 2.15 -3.47 2.45 5.02 -0.91 -4.91 118.16 115.36 1iri n LYS 466 Ca 0.02 -1.75 -0.38 0.00 -2.02 0.00 0.00 58.31 54.18 1iri n LYS 466 Cb 0.42 -1.39 -0.06 0.00 -0.02 0.00 0.00 35.03 33.98 1iri n LYS 466 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1iri s VAL 467 N -1.36 5.04 -0.13 -0.18 1.01 -1.14 -4.89 120.40 118.74 1iri s VAL 467 Ca 0.32 0.86 0.03 0.00 0.00 0.00 0.00 61.98 63.19 1iri s VAL 467 Cb 0.17 -3.73 0.01 0.00 0.00 0.00 0.00 36.38 32.83 1iri s VAL 467 CO 0.22 0.54 -0.22 -0.36 0.00 0.00 0.00 175.10 175.28 1iri s PHE 468 N -0.83 2.65 0.21 5.22 0.40 -0.29 -4.94 117.98 120.41 1iri s PHE 468 Ca 0.24 -1.25 0.07 0.00 -0.60 0.00 0.00 56.93 55.39 1iri s PHE 468 Cb -0.17 -1.80 0.14 0.00 0.51 0.00 0.00 43.02 41.71 1iri s PHE 468 CO 0.13 -0.55 1.48 0.93 0.70 0.00 0.00 175.22 177.91 1iri h GLU 469 N 7.17 0.08 0.00 0.44 5.08 -1.82 0.28 114.58 125.82 1iri h GLU 469 Ca -0.29 -0.08 0.00 0.00 -1.00 0.00 0.00 59.36 57.99 1iri h GLU 469 Cb 1.20 0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.47 1iri h GLU 469 CO 0.54 0.80 0.00 0.41 -1.00 0.00 0.00 179.01 179.75 1iri n GLY 470 N 0.61 0.12 2.33 -3.84 0.00 -1.26 -4.68 105.19 98.47 1iri n GLY 470 Ca -0.02 -0.97 -0.10 0.00 0.00 0.00 0.00 46.02 44.93 1iri n GLY 470 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1iri n ASN 471 N 1.01 -3.28 -4.62 1.61 5.15 -0.14 -4.89 115.26 110.10 1iri n ASN 471 Ca 0.00 0.25 -0.38 0.00 -0.60 0.00 0.00 54.58 53.85 1iri n ASN 471 Cb 0.00 -2.87 -0.10 0.00 -0.53 0.00 0.00 39.78 36.28 1iri n ASN 471 CO 0.00 0.00 0.00 -0.13 1.40 0.00 0.00 177.26 178.53 1iri s ARG 472 N -4.64 4.02 0.24 1.20 0.52 0.26 -4.93 118.95 115.63 1iri s ARG 472 Ca 0.00 -0.17 -0.06 0.00 -0.52 0.00 0.00 55.73 54.99 1iri s ARG 472 Cb 0.00 -3.62 -0.06 0.00 0.52 0.00 0.00 34.95 31.79 1iri s ARG 472 CO 0.00 -0.13 0.51 -1.25 0.02 0.00 0.00 175.30 174.44 1iri s PRO 473 N 1.63 3.66 0.10 3.54 0.04 -1.26 -3.64 135.00 139.07 1iri s PRO 473 Ca 0.10 0.02 -0.13 0.00 0.04 0.00 0.00 61.00 61.03 1iri s PRO 473 Cb -0.15 -2.70 0.02 0.00 0.04 0.00 0.00 34.50 31.71 1iri s PRO 473 CO 0.09 0.30 0.32 0.95 0.04 0.00 0.00 177.00 178.70 1iri s THR 474 N -1.92 0.09 -0.05 1.26 -4.23 -1.11 -3.15 115.64 106.54 1iri s THR 474 Ca 0.44 -0.78 -0.00 0.00 -1.18 0.00 0.00 61.69 60.16 1iri s THR 474 Cb -0.11 -1.20 -0.03 0.00 1.34 0.00 0.00 72.50 72.49 1iri s THR 474 CO 0.27 -0.43 0.00 0.20 -0.54 0.00 0.00 174.62 174.12 1iri s ASN 475 N -2.74 5.18 -0.21 3.99 0.02 -0.06 -4.02 114.94 117.11 1iri s ASN 475 Ca 0.03 0.08 -0.01 0.00 -1.02 0.00 0.00 52.86 51.94 1iri s ASN 475 Cb 0.03 -1.42 0.01 0.00 0.02 0.00 0.00 41.25 39.89 1iri s ASN 475 CO -0.11 0.34 -0.11 -0.44 0.02 0.00 0.00 177.10 176.80 1iri s SER 476 N -1.15 3.86 -0.27 -1.22 0.01 -0.34 -1.03 113.70 113.56 1iri s SER 476 Ca 0.16 -0.61 -0.03 0.00 1.31 0.00 0.00 55.95 56.78 1iri s SER 476 Cb -0.11 -1.62 0.03 0.00 0.21 0.00 0.00 66.02 64.52 1iri s SER 476 CO 0.06 -0.04 -0.01 -0.63 0.41 0.00 0.00 173.24 173.03 1iri s ILE 477 N 1.37 3.19 -0.09 1.44 1.01 0.20 -1.39 121.20 126.94 1iri s ILE 477 Ca 0.04 -0.99 0.03 0.00 0.00 0.00 0.00 60.65 59.73 1iri s ILE 477 Cb -0.14 -2.67 0.01 0.00 0.01 0.00 0.00 42.46 39.67 1iri s ILE 477 CO -0.07 0.11 -0.18 -0.69 0.00 0.00 0.00 174.94 174.11 1iri s VAL 478 N 1.36 1.62 0.14 2.92 1.01 -0.57 -0.76 120.40 126.12 1iri s VAL 478 Ca -0.00 -0.76 0.07 0.00 0.00 0.00 0.00 61.98 61.29 1iri s VAL 478 Cb -0.17 -1.43 -0.04 0.00 0.00 0.00 0.00 36.38 34.74 1iri s VAL 478 CO -0.02 0.46 -0.15 0.72 0.00 0.00 0.00 175.10 176.11 1iri s PHE 479 N 0.54 1.54 0.09 5.22 -0.12 -0.50 -0.38 117.98 124.37 1iri s PHE 479 Ca -0.16 -0.54 -0.26 0.00 -0.05 0.00 0.00 56.93 55.92 1iri s PHE 479 Cb -0.17 -0.78 -0.14 0.00 -0.63 0.00 0.00 43.02 41.30 1iri s PHE 479 CO 0.06 0.21 1.69 1.15 -0.05 0.00 0.00 175.22 178.28 1iri h THR 480 N 3.33 0.71 -2.49 -4.49 2.02 -1.62 0.37 112.91 110.74 1iri h THR 480 Ca -0.40 0.00 -0.09 0.00 0.77 0.00 0.00 66.41 66.69 1iri h THR 480 Cb 1.20 0.71 -0.20 0.00 -1.74 0.00 0.00 68.15 68.12 1iri h THR 480 CO 0.52 0.00 -0.04 -0.75 0.37 0.00 0.00 175.52 175.62 1iri s LYS 481 N -6.14 0.83 -1.29 6.66 2.20 -1.26 0.18 119.74 120.93 1iri s LYS 481 Ca -0.15 0.15 -0.14 0.00 -0.36 0.00 0.00 55.97 55.47 1iri s LYS 481 Cb 0.06 0.39 0.12 0.00 -1.51 0.00 0.00 37.83 36.89 1iri s LYS 481 CO 0.65 -0.23 1.74 -0.11 -0.36 0.00 0.00 175.35 177.03 1iri n LEU 482 N 1.35 5.70 -4.95 5.43 7.94 -1.26 -4.73 117.00 126.48 1iri n LEU 482 Ca -0.19 -4.30 -0.23 0.00 -1.11 0.00 0.00 56.01 50.17 1iri n LEU 482 Cb 0.56 -1.63 0.04 0.00 0.53 0.00 0.00 43.42 42.92 1iri n LEU 482 CO 0.21 0.76 0.44 0.42 -1.11 0.00 0.00 177.39 178.11 1iri s THR 483 N 2.30 2.93 0.27 1.96 -4.23 -1.26 -4.88 115.64 112.73 1iri s THR 483 Ca 0.46 -0.44 0.01 0.00 -1.18 0.00 0.00 61.69 60.54 1iri s THR 483 Cb 0.04 -3.15 0.26 0.00 1.34 0.00 0.00 72.50 71.00 1iri s THR 483 CO 0.01 -0.12 1.78 -0.65 -0.54 0.00 0.00 174.62 175.10 1iri h PRO 484 N -0.08 0.71 -0.05 3.99 0.11 -1.93 -1.40 132.00 133.35 1iri h PRO 484 Ca -0.44 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 65.62 1iri h PRO 484 Cb 1.29 -0.16 -0.00 0.00 0.11 0.00 0.00 31.00 32.24 1iri h PRO 484 CO 0.56 0.47 0.01 0.35 -0.21 0.00 0.00 178.00 179.18 1iri h PHE 485 N 0.74 0.09 -0.93 0.65 3.57 -1.87 -1.77 116.94 117.40 1iri h PHE 485 Ca 0.49 -0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.97 1iri h PHE 485 Cb 0.67 -0.02 -0.04 0.00 2.79 0.00 0.00 35.95 39.34 1iri h PHE 485 CO -0.05 0.32 0.54 1.98 -2.23 0.00 0.00 178.31 178.87 1iri h MET 486 N -0.17 1.28 -0.44 1.11 4.05 -1.75 0.00 114.93 119.02 1iri h MET 486 Ca 0.01 -0.13 0.01 0.00 -0.28 0.00 0.00 59.70 59.31 1iri h MET 486 Cb 0.28 -0.26 -0.02 0.00 -0.80 0.00 0.00 31.60 30.80 1iri h MET 486 CO 0.00 0.91 0.28 1.25 0.23 0.00 0.00 176.91 179.58 1iri h LEU 487 N 1.30 0.47 -0.41 3.39 5.85 -1.18 0.14 115.31 124.87 1iri h LEU 487 Ca 0.33 -0.01 0.08 0.00 0.84 0.00 0.00 57.88 59.13 1iri h LEU 487 Cb -0.02 -0.11 -0.08 0.00 0.37 0.00 0.00 40.66 40.81 1iri h LEU 487 CO -0.06 0.34 -0.14 1.23 -0.34 0.00 0.00 178.44 179.47 1iri h GLY 488 N 0.57 0.23 0.93 3.75 0.00 -0.34 0.65 103.07 108.85 1iri h GLY 488 Ca 0.16 0.18 0.02 0.00 0.00 0.00 0.00 47.33 47.69 1iri h GLY 488 CO -0.05 -0.18 0.28 0.00 0.00 0.00 0.00 176.54 176.59 1iri h ALA 489 N 1.33 0.58 -0.44 3.60 0.00 -0.14 -1.42 119.26 122.76 1iri h ALA 489 Ca 0.20 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 55.07 1iri h ALA 489 Cb 0.35 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 1iri h ALA 489 CO -0.45 -0.03 0.18 -0.07 0.00 0.00 0.00 179.25 178.88 1iri h LEU 490 N 0.56 0.61 -0.59 0.00 3.38 0.18 -1.40 115.31 118.05 1iri h LEU 490 Ca 0.18 -0.17 -0.05 0.00 0.09 0.00 0.00 57.88 57.93 1iri h LEU 490 Cb -0.01 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.56 1iri h LEU 490 CO -0.07 0.61 0.17 0.58 0.09 0.00 0.00 178.44 179.82 1iri h VAL 491 N 0.57 1.25 -0.71 1.22 2.07 -0.70 -2.50 116.25 117.45 1iri h VAL 491 Ca 0.15 -0.86 -0.00 0.00 0.82 0.00 0.00 66.70 66.81 1iri h VAL 491 Cb 0.19 0.68 -0.03 0.00 -1.52 0.00 0.00 31.29 30.61 1iri h VAL 491 CO -0.01 0.32 0.43 0.00 0.02 0.00 0.00 177.57 178.33 1iri h ALA 492 N 1.04 1.43 -0.66 1.67 0.00 -0.93 -1.92 119.26 119.89 1iri h ALA 492 Ca 0.19 -0.08 -0.05 0.00 0.00 0.00 0.00 54.91 54.98 1iri h ALA 492 Cb 0.32 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 17.79 1iri h ALA 492 CO -0.00 0.50 0.23 1.98 0.00 0.00 0.00 179.25 181.95 1iri h MET 493 N 0.97 1.01 0.00 0.00 -1.53 -0.82 -1.85 114.93 112.71 1iri h MET 493 Ca 0.26 -0.20 -0.13 0.00 -3.44 0.00 0.00 59.70 56.18 1iri h MET 493 Cb -0.05 -0.15 -0.02 0.00 -0.55 0.00 0.00 31.60 30.83 1iri h MET 493 CO -0.05 0.87 -0.62 1.88 0.14 0.00 0.00 176.91 179.13 1iri h TYR 494 N 0.95 0.00 0.29 1.39 -1.99 -1.21 -2.19 116.97 114.20 1iri h TYR 494 Ca 0.22 0.00 -0.01 0.00 2.00 0.00 0.00 58.73 60.94 1iri h TYR 494 Cb 0.26 0.00 -0.00 0.00 2.00 0.00 0.00 36.73 38.99 1iri h TYR 494 CO 0.02 0.62 -0.18 0.93 -0.00 0.00 0.00 178.16 179.54 1iri h GLU 495 N 0.00 -0.44 0.00 4.88 5.08 -0.61 -0.59 114.58 122.91 1iri h GLU 495 Ca -0.01 0.03 -0.00 0.00 -1.00 0.00 0.00 59.36 58.38 1iri h GLU 495 Cb 1.13 0.10 -0.00 0.00 0.50 0.00 0.00 28.75 30.48 1iri h GLU 495 CO 0.08 -0.29 -0.01 0.45 -1.00 0.00 0.00 179.01 178.24 1iri h HIS 496 N -0.46 0.00 -0.23 4.33 3.86 -1.22 0.34 115.15 121.76 1iri h HIS 496 Ca -0.03 0.00 -0.10 0.00 -1.16 0.00 0.00 60.37 59.08 1iri h HIS 496 Cb 0.38 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 28.85 1iri h HIS 496 CO -0.09 0.01 -0.26 -0.22 0.86 0.00 0.00 177.93 178.23 1iri h LYS 497 N 0.00 0.59 -0.23 2.45 3.64 -0.79 -1.24 116.57 120.98 1iri h LYS 497 Ca -0.00 -0.32 -0.01 0.00 -1.27 0.00 0.00 60.65 59.05 1iri h LYS 497 Cb 0.45 0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.27 1iri h LYS 497 CO 0.00 0.92 0.10 0.82 -2.27 0.00 0.00 179.45 179.01 1iri h ILE 498 N 0.29 1.16 -0.35 2.00 2.04 0.48 -1.59 117.51 121.53 1iri h ILE 498 Ca 0.03 -0.48 0.07 0.00 1.00 0.00 0.00 64.86 65.49 1iri h ILE 498 Cb 0.82 1.06 -0.07 0.00 -0.74 0.00 0.00 36.82 37.89 1iri h ILE 498 CO 0.06 0.16 -0.12 0.15 0.00 0.00 0.00 178.15 178.40 1iri h PHE 499 N 0.22 -0.28 0.03 1.37 3.57 -0.95 -1.41 116.94 119.49 1iri h PHE 499 Ca 0.08 0.04 -0.00 0.00 3.53 0.00 0.00 57.97 61.61 1iri h PHE 499 Cb 0.16 0.18 0.00 0.00 2.79 0.00 0.00 35.95 39.08 1iri h PHE 499 CO -0.01 -0.19 -0.02 0.28 -2.23 0.00 0.00 178.31 176.14 1iri h VAL 500 N -0.05 1.07 -0.98 1.41 2.07 -1.03 -1.02 116.25 117.72 1iri h VAL 500 Ca 0.18 -0.30 0.18 0.00 0.82 0.00 0.00 66.70 67.57 1iri h VAL 500 Cb 0.32 1.27 -0.09 0.00 -1.52 0.00 0.00 31.29 31.26 1iri h VAL 500 CO -0.39 0.08 0.61 1.56 0.02 0.00 0.00 177.57 179.45 1iri h GLN 501 N -0.17 0.71 -0.28 1.57 4.20 -0.95 -0.27 115.11 119.92 1iri h GLN 501 Ca -0.00 -0.04 -0.17 0.00 0.06 0.00 0.00 58.65 58.50 1iri h GLN 501 Cb 0.16 -0.16 -0.00 0.00 0.30 0.00 0.00 27.48 27.78 1iri h GLN 501 CO 0.01 0.47 -0.48 0.78 -0.67 0.00 0.00 178.83 178.94 1iri h GLY 502 N 0.73 0.89 0.93 3.46 0.00 -0.86 -0.45 103.07 107.77 1iri h GLY 502 Ca 0.53 -1.02 0.02 0.00 0.00 0.00 0.00 47.33 46.86 1iri h GLY 502 CO -0.31 0.91 0.26 -2.22 0.00 0.00 0.00 176.54 175.19 1iri h ILE 503 N 0.57 1.06 -0.44 2.60 1.08 0.17 0.36 117.51 122.92 1iri h ILE 503 Ca 0.02 -0.18 -0.06 0.00 -0.39 0.00 0.00 64.86 64.25 1iri h ILE 503 Cb 1.08 0.49 -0.02 0.00 -3.07 0.00 0.00 36.82 35.30 1iri h ILE 503 CO 0.11 0.10 0.04 0.40 -0.69 0.00 0.00 178.15 178.10 1iri h ILE 504 N 0.53 1.22 -0.00 -0.67 2.04 -1.01 -1.05 117.51 118.57 1iri h ILE 504 Ca 0.17 -0.86 0.00 0.00 1.00 0.00 0.00 64.86 65.17 1iri h ILE 504 Cb -0.01 0.85 0.00 0.00 -0.74 0.00 0.00 36.82 36.92 1iri h ILE 504 CO -0.07 0.30 -0.01 0.79 0.00 0.00 0.00 178.15 179.17 1iri n TRP 505 N -4.26 0.00 -3.67 1.37 8.01 -0.19 -4.53 117.44 114.18 1iri n TRP 505 Ca 0.02 0.00 -0.24 0.00 -1.31 0.00 0.00 57.50 55.97 1iri n TRP 505 Cb 0.26 -0.41 0.06 0.00 -2.01 0.00 0.00 31.31 29.20 1iri n TRP 505 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 177.69 173.21 1iri n ASP 506 N -1.41 -4.83 -4.68 -0.99 2.03 0.12 -4.80 116.55 101.99 1iri n ASP 506 Ca 0.10 -0.64 -0.26 0.00 0.52 0.00 0.00 54.79 54.50 1iri n ASP 506 Cb 0.30 -4.66 -0.09 0.00 -0.72 0.00 0.00 41.12 35.95 1iri n ASP 506 CO 0.00 0.00 0.00 0.27 -1.92 0.00 0.00 177.20 175.55 1iri s ILE 507 N -3.35 2.15 -0.53 5.18 -5.25 -0.82 -2.28 121.20 116.29 1iri s ILE 507 Ca 0.46 -1.85 -0.22 0.00 -0.99 0.00 0.00 60.65 58.05 1iri s ILE 507 Cb -0.21 -3.00 0.05 0.00 2.95 0.00 0.00 42.46 42.24 1iri s ILE 507 CO 0.76 -0.00 0.82 0.21 -1.79 0.00 0.00 174.94 174.94 1iri s ASN 508 N -3.80 6.30 0.00 4.36 2.47 -1.26 -4.61 114.94 118.40 1iri s ASN 508 Ca 0.38 -0.55 0.24 0.00 0.42 0.00 0.00 52.86 53.35 1iri s ASN 508 Cb 0.07 -2.38 1.28 0.00 -1.45 0.00 0.00 41.25 38.77 1iri s ASN 508 CO 0.20 -1.10 1.84 -1.20 -3.72 0.00 0.00 177.10 173.13 1iri n SER 509 N 6.97 0.42 -0.09 -4.21 7.64 -1.26 -3.95 113.62 119.13 1iri n SER 509 Ca -0.01 -1.35 0.02 0.00 1.01 0.00 0.00 58.87 58.54 1iri n SER 509 Cb 0.47 -0.02 -0.00 0.00 -1.01 0.00 0.00 64.21 63.65 1iri n SER 509 CO 0.00 0.00 0.00 0.49 -3.01 0.00 0.00 175.04 172.52 1iri n PHE 510 N -0.57 0.00 -3.02 1.43 3.01 -1.26 -4.51 117.46 112.53 1iri n PHE 510 Ca 0.18 0.00 -0.18 0.00 1.01 0.00 0.00 57.45 58.45 1iri n PHE 510 Cb 0.15 0.00 0.04 0.00 -0.01 0.00 0.00 39.48 39.66 1iri n PHE 510 CO 0.00 0.00 0.00 0.16 1.01 0.00 0.00 176.76 177.93 1iri s ASP 511 N -0.84 5.38 -0.46 4.37 3.84 -1.25 -4.97 116.67 122.74 1iri s ASP 511 Ca 0.03 -0.63 0.07 0.00 -0.00 0.00 0.00 52.55 52.02 1iri s ASP 511 Cb 0.03 -0.18 0.26 0.00 -1.38 0.00 0.00 42.92 41.65 1iri s ASP 511 CO 0.11 -1.05 0.82 0.00 -0.00 0.00 0.00 175.17 175.05 1iri n GLN 512 N -2.05 0.80 0.18 2.11 0.00 -1.26 -4.80 117.38 112.36 1iri n GLN 512 Ca 0.12 -2.17 0.14 0.00 0.00 0.00 0.00 57.00 55.09 1iri n GLN 512 Cb 0.60 -1.37 0.71 0.00 0.00 0.00 0.00 30.24 30.18 1iri n GLN 512 CO 0.00 0.00 0.00 -1.49 0.00 0.00 0.00 177.06 175.57 1iri h TRP 513 N 3.85 0.00 0.00 2.61 4.06 -1.98 -0.19 115.95 124.30 1iri h TRP 513 Ca -0.08 0.00 -0.02 0.00 2.06 0.00 0.00 58.89 60.85 1iri h TRP 513 Cb 1.00 0.00 -0.00 0.00 -1.00 0.00 0.00 29.16 29.16 1iri h TRP 513 CO 0.15 0.00 -0.09 0.78 -3.56 0.00 0.00 178.44 175.72 1iri h GLY 514 N 0.00 0.00 1.68 1.49 0.00 -1.96 -1.78 103.07 102.50 1iri h GLY 514 Ca 0.09 0.00 -0.26 0.00 0.00 0.00 0.00 47.33 47.16 1iri h GLY 514 CO -0.00 0.00 -1.21 -2.08 0.00 0.00 0.00 176.54 173.24 1iri h VAL 515 N 0.00 1.51 -0.09 4.60 2.07 -1.46 -2.86 116.25 120.02 1iri h VAL 515 Ca -0.00 -3.14 -0.03 0.00 0.82 0.00 0.00 66.70 64.35 1iri h VAL 515 Cb 0.60 2.88 -0.00 0.00 -1.52 0.00 0.00 31.29 33.25 1iri h VAL 515 CO 0.01 0.90 -0.08 -0.33 0.02 0.00 0.00 177.57 178.10 1iri h GLU 516 N 0.05 0.22 -0.65 1.57 4.39 -1.30 -1.27 114.58 117.58 1iri h GLU 516 Ca -0.11 -0.11 0.14 0.00 0.34 0.00 0.00 59.36 59.62 1iri h GLU 516 Cb 1.92 0.00 -0.11 0.00 -0.10 0.00 0.00 28.75 30.46 1iri h GLU 516 CO 0.17 0.62 0.01 1.25 -1.16 0.00 0.00 179.01 179.91 1iri h LEU 517 N -0.18 -0.26 -0.32 1.33 5.85 -1.41 -2.02 115.31 118.29 1iri h LEU 517 Ca 0.02 0.16 0.07 0.00 0.84 0.00 0.00 57.88 58.97 1iri h LEU 517 Cb 0.57 0.28 -0.08 0.00 0.37 0.00 0.00 40.66 41.80 1iri h LEU 517 CO 0.02 -0.12 -0.23 1.23 -0.34 0.00 0.00 178.44 179.00 1iri h GLY 518 N 0.13 -0.06 1.70 3.75 0.00 -1.15 -0.97 103.07 106.47 1iri h GLY 518 Ca 0.34 0.29 0.02 0.00 0.00 0.00 0.00 47.33 47.98 1iri h GLY 518 CO -0.55 -0.20 0.13 0.50 0.00 0.00 0.00 176.54 176.43 1iri h LYS 519 N -0.19 0.00 -0.01 4.80 1.57 -0.50 -2.26 116.57 119.98 1iri h LYS 519 Ca 0.16 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.94 1iri h LYS 519 Cb 0.45 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.76 1iri h LYS 519 CO -0.44 0.00 -0.55 0.94 -0.57 0.00 0.00 179.45 178.84 1iri n GLN 520 N -3.38 1.35 -0.04 3.15 0.00 -0.41 -4.68 117.38 113.37 1iri n GLN 520 Ca -0.01 -0.59 -0.16 0.00 -0.00 0.00 0.00 57.00 56.24 1iri n GLN 520 Cb 0.22 -1.36 -0.05 0.00 0.00 0.00 0.00 30.24 29.05 1iri n GLN 520 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.06 176.99 1iri h LEU 521 N 1.38 0.92 -0.97 1.69 3.38 -0.93 -3.28 115.31 117.50 1iri h LEU 521 Ca 0.00 -0.56 -0.09 0.00 0.09 0.00 0.00 57.88 57.32 1iri h LEU 521 Cb 0.57 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 41.04 1iri h LEU 521 CO 0.00 1.35 -0.43 0.00 0.09 0.00 0.00 178.44 179.45 1iri h ALA 522 N 0.64 1.05 -0.80 1.53 0.00 -1.83 -3.30 119.26 116.53 1iri h ALA 522 Ca -0.03 -0.39 0.17 0.00 0.00 0.00 0.00 54.91 54.66 1iri h ALA 522 Cb 1.31 -0.07 -0.11 0.00 0.00 0.00 0.00 17.79 18.92 1iri h ALA 522 CO 0.14 0.54 0.31 0.87 0.00 0.00 0.00 179.25 181.11 1iri h LYS 523 N 0.00 0.40 -0.39 0.00 1.57 -1.87 0.24 116.57 116.52 1iri h LYS 523 Ca -0.00 -0.02 -0.11 0.00 -1.87 0.00 0.00 60.65 58.65 1iri h LYS 523 Cb 0.90 -0.09 -0.02 0.00 0.08 0.00 0.00 32.23 33.11 1iri h LYS 523 CO 0.06 0.26 -0.19 -0.22 -0.57 0.00 0.00 179.45 178.79 1iri h LYS 524 N 0.41 0.74 0.02 3.15 3.64 -1.78 -3.23 116.57 119.53 1iri h LYS 524 Ca 0.46 -0.28 -0.26 0.00 -1.27 0.00 0.00 60.65 59.31 1iri h LYS 524 Cb 0.78 -0.05 -0.03 0.00 -0.41 0.00 0.00 32.23 32.52 1iri h LYS 524 CO -0.46 0.88 -1.38 0.82 -2.27 0.00 0.00 179.45 177.03 1iri h ILE 525 N 0.66 1.27 -0.07 2.00 2.04 -1.08 -3.39 117.51 118.92 1iri h ILE 525 Ca 0.10 -3.02 0.01 0.00 1.00 0.00 0.00 64.86 62.94 1iri h ILE 525 Cb 0.68 2.66 -0.01 0.00 -0.74 0.00 0.00 36.82 39.41 1iri h ILE 525 CO 0.05 0.76 -0.05 -0.33 0.00 0.00 0.00 178.15 178.57 1iri h GLU 526 N 0.01 -0.01 -0.76 2.37 5.08 -0.65 -1.58 114.58 119.03 1iri h GLU 526 Ca -0.16 0.00 0.12 0.00 -1.00 0.00 0.00 59.36 58.32 1iri h GLU 526 Cb 1.91 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 31.11 1iri h GLU 526 CO 0.12 -0.01 0.50 -1.00 -1.00 0.00 0.00 179.01 177.62 1iri h PRO 527 N -0.01 0.54 0.00 2.33 0.13 -1.77 0.44 132.00 133.66 1iri h PRO 527 Ca 0.01 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 65.11 1iri h PRO 527 Cb 0.04 -0.12 0.00 0.00 0.13 0.00 0.00 31.00 31.05 1iri h PRO 527 CO -0.08 0.36 0.00 0.93 -0.23 0.00 0.00 178.00 178.98 1iri h GLU 528 N 0.56 0.00 0.00 0.86 5.08 -1.49 -2.12 114.58 117.47 1iri h GLU 528 Ca 0.37 0.00 -0.17 0.00 -1.00 0.00 0.00 59.36 58.56 1iri h GLU 528 Cb 0.65 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.88 1iri h GLU 528 CO -0.13 0.00 -0.79 -0.07 -1.00 0.00 0.00 179.01 177.02 1iri h LEU 529 N 0.00 0.00-10.13 1.33 3.38 -0.72 -3.45 115.31 105.71 1iri h LEU 529 Ca 0.00 0.00 -0.52 0.00 0.09 0.00 0.00 57.88 57.45 1iri h LEU 529 Cb 0.02 0.00 0.11 0.00 0.09 0.00 0.00 40.66 40.88 1iri h LEU 529 CO 0.00 0.79 0.43 -1.81 0.09 0.00 0.00 178.44 177.93 1iri s ASP 530 N -6.65 5.08 0.09 -0.43 -0.00 -0.80 -4.84 116.67 109.12 1iri s ASP 530 Ca 0.01 2.25 0.00 0.00 -0.00 0.00 0.00 52.55 54.81 1iri s ASP 530 Cb 0.10 -2.58 0.00 0.00 -0.00 0.00 0.00 42.92 40.44 1iri s ASP 530 CO 0.79 -1.66 0.00 0.61 -0.00 0.00 0.00 175.17 174.91 1iri n GLY 531 N 0.18 -2.71 0.36 0.21 0.00 -1.26 -4.66 105.19 97.31 1iri n GLY 531 Ca 0.12 -1.39 0.14 0.00 0.00 0.00 0.00 46.02 44.89 1iri n GLY 531 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1iri n SER 532 N -2.36 1.18 -4.72 1.61 3.41 -1.26 -4.94 113.62 106.53 1iri n SER 532 Ca -0.01 -1.29 -0.42 0.00 -0.26 0.00 0.00 58.87 56.88 1iri n SER 532 Cb 0.10 0.01 -0.03 0.00 -0.26 0.00 0.00 64.21 64.03 1iri n SER 532 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1iri s ALA 533 N -2.10 3.71 0.82 7.33 0.00 -1.26 -4.95 121.76 125.31 1iri s ALA 533 Ca 0.37 1.28 -0.14 0.00 0.00 0.00 0.00 51.96 53.47 1iri s ALA 533 Cb 0.21 -3.59 0.02 0.00 0.00 0.00 0.00 23.12 19.75 1iri s ALA 533 CO 0.37 -0.72 0.65 1.04 0.00 0.00 0.00 175.76 177.10 1iri n GLN 534 N 3.90 0.06 -4.82 0.00 1.13 -1.26 -4.99 117.38 111.41 1iri n GLN 534 Ca 0.13 0.08 -0.33 0.00 -1.94 0.00 0.00 57.00 54.93 1iri n GLN 534 Cb 0.40 -1.99 -0.13 0.00 0.11 0.00 0.00 30.24 28.64 1iri n GLN 534 CO 0.00 0.00 0.00 0.08 -1.44 0.00 0.00 177.06 175.70 1iri s VAL 535 N -2.13 3.19 0.00 5.09 1.01 -1.26 -4.99 120.40 121.31 1iri s VAL 535 Ca 0.64 -0.70 0.00 0.00 0.00 0.00 0.00 61.98 61.92 1iri s VAL 535 Cb -0.29 -2.27 0.00 0.00 0.00 0.00 0.00 36.38 33.82 1iri s VAL 535 CO 0.60 0.58 0.19 0.35 0.00 0.00 0.00 175.10 176.81 1iri n THR 536 N 2.23 0.00 1.19 3.92 -2.24 -1.26 -4.79 114.28 113.34 1iri n THR 536 Ca -0.17 -0.23 0.00 0.00 -2.27 0.00 0.00 64.05 61.37 1iri n THR 536 Cb 0.52 1.43 0.00 0.00 -2.10 0.00 0.00 70.33 70.19 1iri n THR 536 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1iri n SER 537 N -0.08 0.32 -1.23 3.42 3.41 -1.26 -4.81 113.62 113.38 1iri n SER 537 Ca 0.00 -1.52 -0.00 0.00 -0.26 0.00 0.00 58.87 57.09 1iri n SER 537 Cb 0.11 -0.16 -0.00 0.00 -0.26 0.00 0.00 64.21 63.90 1iri n SER 537 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 1iri n HIS 538 N -0.24 -0.01 -1.42 7.33 8.25 -1.26 -5.09 115.22 122.79 1iri n HIS 538 Ca 0.00 -0.05 -0.33 0.00 -0.26 0.00 0.00 57.72 57.07 1iri n HIS 538 Cb 0.08 0.00 0.09 0.00 1.12 0.00 0.00 29.99 31.28 1iri n HIS 538 CO 0.00 0.00 0.00 0.16 0.64 0.00 0.00 176.34 177.14 1iri s ASP 539 N -1.05 4.33 0.33 0.41 1.47 -1.26 -4.74 116.67 116.16 1iri s ASP 539 Ca 0.01 2.18 0.08 0.00 1.18 0.00 0.00 52.55 56.00 1iri s ASP 539 Cb 0.00 -2.57 0.80 0.00 -0.34 0.00 0.00 42.92 40.81 1iri s ASP 539 CO 0.00 -2.16 1.81 0.00 0.68 0.00 0.00 175.17 175.51 1iri h ALA 540 N -0.48 1.79 0.34 2.11 0.00 -1.99 -2.04 119.26 118.99 1iri h ALA 540 Ca -0.46 0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.48 1iri h ALA 540 Cb 1.27 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.97 1iri h ALA 540 CO 0.50 -0.11 -0.16 1.03 0.00 0.00 0.00 179.25 180.51 1iri h SER 541 N 0.71 -0.38 -0.21 0.00 0.87 -1.98 0.21 113.55 112.77 1iri h SER 541 Ca 0.53 -0.13 0.06 0.00 -1.23 0.00 0.00 61.79 61.01 1iri h SER 541 Cb 0.88 0.10 -0.07 0.00 -0.44 0.00 0.00 62.40 62.87 1iri h SER 541 CO -0.29 -0.07 -0.30 0.74 -0.53 0.00 0.00 176.83 176.38 1iri h THR 542 N -0.72 0.30 -0.03 2.23 2.02 -1.84 0.77 112.91 115.64 1iri h THR 542 Ca -0.05 0.00 0.03 0.00 0.77 0.00 0.00 66.41 67.17 1iri h THR 542 Cb 0.49 0.30 -0.05 0.00 -1.74 0.00 0.00 68.15 67.16 1iri h THR 542 CO 0.08 0.00 -0.28 0.78 0.37 0.00 0.00 175.52 176.47 1iri h ASN 543 N -0.33 -0.84 -0.94 4.18 2.35 -1.30 0.57 115.58 119.27 1iri h ASN 543 Ca 0.12 0.12 0.19 0.00 -0.55 0.00 0.00 56.30 56.18 1iri h ASN 543 Cb 0.52 0.35 -0.08 0.00 0.05 0.00 0.00 38.32 39.16 1iri h ASN 543 CO -0.39 -0.34 0.60 1.23 -1.65 0.00 0.00 177.43 176.88 1iri h GLY 544 N -0.41 1.21 0.92 2.83 0.00 0.09 0.20 103.07 107.90 1iri h GLY 544 Ca 0.07 -0.26 -0.19 0.00 0.00 0.00 0.00 47.33 46.96 1iri h GLY 544 CO -0.26 -0.01 -0.71 1.41 0.00 0.00 0.00 176.54 176.97 1iri h LEU 545 N 0.56 0.66 -0.61 3.11 3.38 0.19 -1.44 115.31 121.16 1iri h LEU 545 Ca 0.50 -0.73 0.01 0.00 0.09 0.00 0.00 57.88 57.75 1iri h LEU 545 Cb 1.03 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 41.55 1iri h LEU 545 CO -0.24 1.30 0.41 0.40 0.09 0.00 0.00 178.44 180.40 1iri h ILE 546 N 0.08 1.16 -0.44 1.22 2.04 -0.05 -1.37 117.51 120.14 1iri h ILE 546 Ca -0.08 -0.29 -0.05 0.00 1.00 0.00 0.00 64.86 65.44 1iri h ILE 546 Cb 1.40 0.25 -0.02 0.00 -0.74 0.00 0.00 36.82 37.71 1iri h ILE 546 CO 0.14 0.15 0.05 0.78 0.00 0.00 0.00 178.15 179.27 1iri h ASN 547 N 0.83 0.65 -0.43 1.72 2.35 -0.54 -0.89 115.58 119.27 1iri h ASN 547 Ca 0.23 -0.12 -0.11 0.00 -0.55 0.00 0.00 56.30 55.74 1iri h ASN 547 Cb -0.10 -0.17 -0.02 0.00 0.05 0.00 0.00 38.32 38.09 1iri h ASN 547 CO -0.05 0.68 -0.13 0.15 -1.65 0.00 0.00 177.43 176.43 1iri h PHE 548 N 0.66 1.01 -0.29 1.19 3.57 -0.92 -1.85 116.94 120.31 1iri h PHE 548 Ca 0.14 -0.21 -0.01 0.00 3.53 0.00 0.00 57.97 61.43 1iri h PHE 548 Cb 0.34 -0.25 -0.01 0.00 2.79 0.00 0.00 35.95 38.81 1iri h PHE 548 CO 0.02 0.97 0.14 0.82 -2.23 0.00 0.00 178.31 178.03 1iri h ILE 549 N 0.80 1.15 -0.42 1.41 2.04 -0.08 -0.11 117.51 122.30 1iri h ILE 549 Ca 0.13 -0.44 -0.03 0.00 1.00 0.00 0.00 64.86 65.52 1iri h ILE 549 Cb 0.66 0.90 -0.02 0.00 -0.74 0.00 0.00 36.82 37.63 1iri h ILE 549 CO 0.05 0.16 0.14 0.11 0.00 0.00 0.00 178.15 178.60 1iri h LYS 550 N 0.34 0.65 -0.58 2.37 1.57 -1.15 -0.18 116.57 119.59 1iri h LYS 550 Ca 0.10 -0.14 0.09 0.00 -1.87 0.00 0.00 60.65 58.84 1iri h LYS 550 Cb 0.12 -0.10 -0.07 0.00 0.08 0.00 0.00 32.23 32.26 1iri h LYS 550 CO -0.01 0.64 0.18 0.37 -0.57 0.00 0.00 179.45 180.05 1iri h GLN 551 N 0.54 0.33 0.00 3.15 4.15 -1.09 -3.12 115.11 119.06 1iri h GLN 551 Ca 0.14 -0.02 0.00 0.00 0.77 0.00 0.00 58.65 59.54 1iri h GLN 551 Cb 0.25 -0.07 0.00 0.00 0.21 0.00 0.00 27.48 27.87 1iri h GLN 551 CO -0.01 0.22 -0.59 1.04 -1.93 0.00 0.00 178.83 177.57 1iri n GLN 552 N -5.05 0.12 -0.33 1.69 1.13 -0.08 -3.67 117.38 111.19 1iri n GLN 552 Ca 0.08 0.03 0.10 0.00 -1.94 0.00 0.00 57.00 55.27 1iri n GLN 552 Cb 0.27 -1.57 0.28 0.00 0.11 0.00 0.00 30.24 29.33 1iri n GLN 552 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1iri h ARG 553 N 0.00 0.71 0.00 -1.09 3.08 -0.98 -2.74 114.38 113.36 1iri h ARG 553 Ca 0.00 -0.04 -0.03 0.00 0.07 0.00 0.00 59.98 59.98 1iri h ARG 553 Cb 0.60 -0.16 -0.00 0.00 0.08 0.00 0.00 29.97 30.49 1iri h ARG 553 CO 0.00 0.47 -0.33 0.93 -1.07 0.00 0.00 179.97 179.97 1iri h GLU 554 N 0.73 0.00 -7.04 0.04 4.39 -1.71 -3.48 114.58 107.52 1iri h GLU 554 Ca 0.53 0.00 -0.52 0.00 0.34 0.00 0.00 59.36 59.70 1iri h GLU 554 Cb 0.77 0.00 0.10 0.00 -0.10 0.00 0.00 28.75 29.52 1iri h GLU 554 CO -0.37 0.13 0.52 0.00 -1.16 0.00 0.00 179.01 178.13 1iri s ALA 555 N -3.16 2.84 -0.81 3.43 0.00 -1.04 -4.98 121.76 118.04 1iri s ALA 555 Ca 0.05 1.08 -0.10 0.00 0.00 0.00 0.00 51.96 52.99 1iri s ALA 555 Cb 0.06 -3.46 0.21 0.00 0.00 0.00 0.00 23.12 19.94 1iri s ALA 555 CO 0.71 -0.99 0.72 1.03 0.00 0.00 0.00 175.76 177.23 1iri s ARG 556 N -2.89 3.38 0.00 0.00 0.52 -1.26 -5.10 118.95 113.60 1iri s ARG 556 Ca 0.69 -2.60 0.04 0.00 -0.52 0.00 0.00 55.73 53.34 1iri s ARG 556 Cb -0.33 -4.24 0.23 0.00 0.52 0.00 0.00 34.95 31.13 1iri s ARG 556 CO 0.39 -1.26 0.71 1.33 0.02 0.00 0.00 175.30 176.49