#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hav n VAL 2 N 0.00 0.00 -2.14 3.17 0.24 -1.26 -4.40 118.33 113.94 3hav n VAL 2 Ca 0.00 0.00 -0.42 0.00 -2.04 0.00 0.00 64.34 61.88 3hav n VAL 2 Cb 0.00 0.00 -0.03 0.00 -1.47 0.00 0.00 33.84 32.34 3hav n VAL 2 CO 0.00 0.00 0.00 0.21 -2.14 0.00 0.00 176.83 174.90 3hav s ASN 3 N 0.00 6.77 0.11 -1.34 2.47 -1.26 -5.01 114.94 116.68 3hav s ASN 3 Ca 0.00 2.11 0.06 0.00 0.42 0.00 0.00 52.86 55.46 3hav s ASN 3 Cb 0.00 -2.54 -0.04 0.00 -1.45 0.00 0.00 41.25 37.22 3hav s ASN 3 CO 0.00 -0.83 -0.16 -0.22 -3.72 0.00 0.00 177.10 172.17 3hav s LEU 4 N 3.38 2.36 0.16 3.21 0.20 -1.26 -5.10 118.68 121.62 3hav s LEU 4 Ca 0.67 -0.74 -0.34 0.00 0.69 0.00 0.00 54.13 54.41 3hav s LEU 4 Cb -0.31 -0.64 -0.15 0.00 -0.43 0.00 0.00 46.19 44.66 3hav s LEU 4 CO 0.26 -0.08 1.34 -0.67 -0.29 0.00 0.00 176.35 176.92 3hav n ASP 5 N 0.80 2.05 -0.13 3.68 4.64 -1.26 -4.86 116.55 121.47 3hav n ASP 5 Ca -0.17 1.12 -0.06 0.00 -1.38 0.00 0.00 54.79 54.30 3hav n ASP 5 Cb 0.56 -1.29 0.02 0.00 -1.04 0.00 0.00 41.12 39.37 3hav n ASP 5 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 3hav h ALA 6 N 4.38 0.50 -0.30 -1.67 0.00 -1.99 -1.76 119.26 118.41 3hav h ALA 6 Ca -0.45 0.02 -0.09 0.00 0.00 0.00 0.00 54.91 54.39 3hav h ALA 6 Cb 1.31 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 19.05 3hav h ALA 6 CO 0.77 -0.17 -0.17 0.93 0.00 0.00 0.00 179.25 180.61 3hav h GLU 7 N 0.40 0.65 -0.37 0.00 5.08 -1.99 -1.47 114.58 116.88 3hav h GLU 7 Ca 0.18 -0.29 0.08 0.00 -1.00 0.00 0.00 59.36 58.32 3hav h GLU 7 Cb 0.10 -0.01 -0.08 0.00 0.50 0.00 0.00 28.75 29.25 3hav h GLU 7 CO -0.13 0.88 -0.15 0.82 -1.00 0.00 0.00 179.01 179.43 3hav h ILE 8 N 0.40 0.52 -0.58 3.13 1.08 -1.89 0.19 117.51 120.37 3hav h ILE 8 Ca 0.07 0.00 0.05 0.00 -0.39 0.00 0.00 64.86 64.58 3hav h ILE 8 Cb 0.70 0.52 -0.05 0.00 -3.07 0.00 0.00 36.82 34.92 3hav h ILE 8 CO 0.05 0.00 0.32 0.22 -0.69 0.00 0.00 178.15 178.04 3hav h TYR 9 N -0.08 0.58 0.02 1.37 3.20 -1.21 0.20 116.97 121.05 3hav h TYR 9 Ca 0.18 0.02 0.02 0.00 3.14 0.00 0.00 58.73 62.10 3hav h TYR 9 Cb 0.36 -0.18 -0.03 0.00 1.54 0.00 0.00 36.73 38.42 3hav h TYR 9 CO -0.38 0.29 -0.18 1.49 -1.64 0.00 0.00 178.16 177.75 3hav h GLU 10 N 0.60 -0.29 -0.31 1.82 4.81 -0.07 -0.41 114.58 120.74 3hav h GLU 10 Ca 0.25 0.02 -0.12 0.00 -0.13 0.00 0.00 59.36 59.38 3hav h GLU 10 Cb 0.13 0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.56 3hav h GLU 10 CO -0.15 -0.19 -0.28 0.45 -0.73 0.00 0.00 179.01 178.10 3hav h HIS 11 N -0.30 0.74 -0.43 0.92 3.86 -0.38 -2.87 115.15 116.69 3hav h HIS 11 Ca 0.05 -0.18 -0.06 0.00 -1.16 0.00 0.00 60.37 59.03 3hav h HIS 11 Cb 0.36 -0.17 -0.02 0.00 1.06 0.00 0.00 27.41 28.64 3hav h HIS 11 CO -0.22 0.86 0.03 1.25 0.86 0.00 0.00 177.93 180.71 3hav h LEU 12 N 0.55 0.63 0.00 2.43 7.12 -0.35 -1.95 115.31 123.75 3hav h LEU 12 Ca 0.07 -0.13 0.00 0.00 0.13 0.00 0.00 57.88 57.96 3hav h LEU 12 Cb 0.77 -0.17 0.00 0.00 -0.53 0.00 0.00 40.66 40.73 3hav h LEU 12 CO 0.06 0.68 0.00 -3.20 -0.13 0.00 0.00 178.44 175.85 3hav n ASN 13 N -4.26 0.00 -0.34 1.25 5.15 -0.18 -1.60 115.26 115.28 3hav n ASN 13 Ca 0.02 0.12 0.13 0.00 -0.60 0.00 0.00 54.58 54.25 3hav n ASN 13 Cb 0.25 -0.34 0.36 0.00 -0.53 0.00 0.00 39.78 39.52 3hav n ASN 13 CO 0.00 0.00 0.00 0.29 1.40 0.00 0.00 177.26 178.95 3hav n LYS 14 N -1.34 1.09 -0.01 1.20 5.02 -0.73 -4.09 118.16 119.28 3hav n LYS 14 Ca 0.09 -0.68 -0.01 0.00 -2.02 0.00 0.00 58.31 55.69 3hav n LYS 14 Cb 0.18 -1.49 -0.04 0.00 -0.02 0.00 0.00 35.03 33.67 3hav n LYS 14 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 3hav n GLN 15 N -0.36 2.15 -3.74 1.97 1.13 -0.64 -5.02 117.38 112.86 3hav n GLN 15 Ca 0.13 -0.02 -0.12 0.00 -1.94 0.00 0.00 57.00 55.05 3hav n GLN 15 Cb 0.37 -1.11 -0.12 0.00 0.11 0.00 0.00 30.24 29.49 3hav n GLN 15 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 3hav s ILE 16 N -2.19 -0.02 -0.40 5.09 1.01 -0.63 -5.10 121.20 118.97 3hav s ILE 16 Ca -0.02 0.06 -0.29 0.00 0.00 0.00 0.00 60.65 60.41 3hav s ILE 16 Cb 0.02 -0.47 0.00 0.00 0.01 0.00 0.00 42.46 42.03 3hav s ILE 16 CO 0.18 0.03 1.49 -0.75 0.00 0.00 0.00 174.94 175.89 3hav s LYS 17 N 0.77 3.52 0.00 2.79 2.20 -1.26 -4.02 119.74 123.74 3hav s LYS 17 Ca -0.05 1.02 -0.30 0.00 -0.36 0.00 0.00 55.97 56.28 3hav s LYS 17 Cb -0.06 -4.06 -0.03 0.00 -1.51 0.00 0.00 37.83 32.16 3hav s LYS 17 CO -0.05 -1.64 1.04 0.42 -0.36 0.00 0.00 175.35 174.76 3hav s ILE 18 N 5.75 4.66 0.00 5.43 1.01 -1.26 -4.89 121.20 131.90 3hav s ILE 18 Ca 0.65 1.91 0.00 0.00 0.00 0.00 0.00 60.65 63.21 3hav s ILE 18 Cb -0.15 -4.22 0.00 0.00 0.01 0.00 0.00 42.46 38.09 3hav s ILE 18 CO 0.33 0.13 0.00 0.59 0.00 0.00 0.00 174.94 175.99 3hav n ASN 19 N 4.04 1.78 -4.16 3.58 3.02 -1.26 -5.08 115.26 117.18 3hav n ASN 19 Ca 0.07 0.00 -0.23 0.00 -0.03 0.00 0.00 54.58 54.39 3hav n ASN 19 Cb 0.50 0.00 -0.14 0.00 -0.61 0.00 0.00 39.78 39.52 3hav n ASN 19 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 3hav s GLU 20 N -1.88 1.17 -0.08 3.52 8.01 -1.26 -4.97 118.70 123.20 3hav s GLU 20 Ca 0.00 -0.72 -0.03 0.00 0.01 0.00 0.00 54.97 54.24 3hav s GLU 20 Cb 0.00 -1.18 0.04 0.00 -4.31 0.00 0.00 34.13 28.67 3hav s GLU 20 CO 0.00 0.31 0.06 -0.51 0.01 0.00 0.00 175.26 175.13 3hav s LEU 21 N -0.83 0.31 0.08 1.80 1.43 -1.26 -0.85 118.68 119.36 3hav s LEU 21 Ca 0.05 -0.16 0.10 0.00 -1.03 0.00 0.00 54.13 53.09 3hav s LEU 21 Cb -0.07 -0.23 -0.03 0.00 0.03 0.00 0.00 46.19 45.88 3hav s LEU 21 CO 0.01 -0.27 -0.26 -0.13 0.23 0.00 0.00 176.35 175.92 3hav s ARG 22 N 2.12 1.61 0.25 1.70 0.52 -0.97 -4.58 118.95 119.61 3hav s ARG 22 Ca 0.04 -1.20 -0.30 0.00 -0.52 0.00 0.00 55.73 53.75 3hav s ARG 22 Cb -0.13 -1.92 -0.09 0.00 0.52 0.00 0.00 34.95 33.33 3hav s ARG 22 CO -0.05 0.48 1.19 0.71 0.02 0.00 0.00 175.30 177.65 3hav s TYR 23 N -0.92 3.40 -0.20 -0.53 1.51 -1.26 0.06 117.35 119.41 3hav s TYR 23 Ca 0.12 1.51 0.13 0.00 -1.01 0.00 0.00 57.07 57.83 3hav s TYR 23 Cb -0.10 -3.44 -0.23 0.00 -0.11 0.00 0.00 41.96 38.08 3hav s TYR 23 CO 0.04 -1.14 0.04 1.28 -1.11 0.00 0.00 175.55 174.66 3hav n LEU 24 N 1.65 0.85 -3.61 -1.29 4.77 0.12 -4.79 117.00 114.69 3hav n LEU 24 Ca 0.01 -0.01 -0.01 0.00 -0.03 0.00 0.00 56.01 55.98 3hav n LEU 24 Cb 0.44 0.10 -0.01 0.00 -2.33 0.00 0.00 43.42 41.61 3hav n LEU 24 CO 0.56 0.61 1.03 -0.94 -1.33 0.00 0.00 177.39 177.32 3hav s SER 25 N -5.81 -0.09 -0.19 -1.43 1.04 -1.07 -5.00 113.70 101.15 3hav s SER 25 Ca -0.16 -0.09 -0.07 0.00 0.48 0.00 0.00 55.95 56.11 3hav s SER 25 Cb 0.07 0.16 0.09 0.00 0.10 0.00 0.00 66.02 66.44 3hav s SER 25 CO 0.77 -0.29 0.40 -0.44 0.98 0.00 0.00 173.24 174.66 3hav s SER 26 N -2.68 -0.19 0.00 7.02 0.01 -1.26 -2.11 113.70 114.49 3hav s SER 26 Ca 0.12 0.94 0.00 0.00 1.31 0.00 0.00 55.95 58.32 3hav s SER 26 Cb 0.03 1.25 0.00 0.00 0.21 0.00 0.00 66.02 67.50 3hav s SER 26 CO -0.04 -0.23 0.00 0.61 0.41 0.00 0.00 173.24 173.99 3hav n GLY 27 N 5.34 6.80 0.12 3.44 0.00 -0.85 -5.03 105.19 115.02 3hav n GLY 27 Ca -0.09 -1.83 0.02 0.00 0.00 0.00 0.00 46.02 44.13 3hav n GLY 27 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3hav h ASP 28 N 0.00 0.00 0.29 1.61 5.19 -2.03 -3.38 116.42 118.11 3hav h ASP 28 Ca 0.00 0.00 -0.33 0.00 -0.62 0.00 0.00 57.03 56.08 3hav h ASP 28 Cb 0.00 0.00 -0.05 0.00 0.18 0.00 0.00 39.33 39.46 3hav h ASP 28 CO 0.00 0.49 -1.96 0.47 -3.12 0.00 0.00 179.24 175.12 3hav n ASP 29 N -3.04 0.91 -3.56 6.45 8.00 -1.26 -4.77 116.55 119.29 3hav n ASP 29 Ca -0.03 0.25 -0.14 0.00 0.71 0.00 0.00 54.79 55.58 3hav n ASP 29 Cb 0.76 0.06 -0.06 0.00 -0.02 0.00 0.00 41.12 41.86 3hav n ASP 29 CO 0.00 0.00 0.00 -0.55 -0.39 0.00 0.00 177.20 176.26 3hav s SER 30 N -6.11 -0.54 0.09 -2.24 0.15 -1.26 0.23 113.70 104.02 3hav s SER 30 Ca -0.10 0.65 0.03 0.00 0.70 0.00 0.00 55.95 57.23 3hav s SER 30 Cb 0.07 0.53 -0.04 0.00 -1.71 0.00 0.00 66.02 64.87 3hav s SER 30 CO 0.80 -0.45 0.12 -1.81 1.20 0.00 0.00 173.24 173.10 3hav s ASP 31 N -0.97 5.70 -0.03 5.45 1.01 -0.67 -2.00 116.67 125.16 3hav s ASP 31 Ca -0.06 0.03 -0.01 0.00 0.71 0.00 0.00 52.55 53.22 3hav s ASP 31 Cb -0.01 -1.58 0.03 0.00 1.01 0.00 0.00 42.92 42.38 3hav s ASP 31 CO 0.05 0.15 0.05 0.28 0.21 0.00 0.00 175.17 175.91 3hav s THR 32 N -1.48 -0.09 0.26 -1.27 -1.32 -0.90 0.25 115.64 111.09 3hav s THR 32 Ca 0.31 0.33 0.08 0.00 -1.21 0.00 0.00 61.69 61.21 3hav s THR 32 Cb -0.12 -0.12 -0.04 0.00 -1.51 0.00 0.00 72.50 70.71 3hav s THR 32 CO 0.24 0.14 0.09 -0.36 -2.21 0.00 0.00 174.62 172.51 3hav s PHE 33 N 1.69 2.89 -0.36 9.09 0.40 0.28 0.16 117.98 132.12 3hav s PHE 33 Ca -0.01 -0.17 -0.04 0.00 -0.60 0.00 0.00 56.93 56.11 3hav s PHE 33 Cb -0.12 -1.29 0.07 0.00 0.51 0.00 0.00 43.02 42.18 3hav s PHE 33 CO -0.03 0.57 0.13 -1.17 0.70 0.00 0.00 175.22 175.43 3hav s LEU 34 N -3.72 4.65 -0.16 -0.37 0.20 0.11 -0.21 118.68 119.18 3hav s LEU 34 Ca 0.32 -1.54 -0.18 0.00 0.69 0.00 0.00 54.13 53.42 3hav s LEU 34 Cb -0.07 -1.83 -0.04 0.00 -0.43 0.00 0.00 46.19 43.82 3hav s LEU 34 CO 0.22 -0.42 0.47 0.00 -0.29 0.00 0.00 176.35 176.34 3hav n ASN 36 N 4.17 -4.92 -1.34 0.00 4.13 -0.03 -0.78 115.26 116.49 3hav n ASN 36 Ca -0.07 0.31 -0.18 0.00 1.68 0.00 0.00 54.58 56.33 3hav n ASN 36 Cb 0.51 -3.92 -0.08 0.00 -1.54 0.00 0.00 39.78 34.76 3hav n ASN 36 CO 0.00 0.00 0.00 -0.62 0.28 0.00 0.00 177.26 176.92 3hav n GLU 37 N -1.24 -1.30 0.00 3.52 -0.58 -1.26 -4.74 120.64 115.04 3hav n GLU 37 Ca -0.12 1.12 0.00 0.00 -0.42 0.00 0.00 57.16 57.73 3hav n GLU 37 Cb 0.55 -5.40 0.00 0.00 -0.57 0.00 0.00 31.44 26.02 3hav n GLU 37 CO 0.00 0.00 0.00 1.04 -0.48 0.00 0.00 177.13 177.69 3hav n GLN 38 N -2.33 3.38 -5.05 3.49 6.02 -0.31 -4.89 117.38 117.69 3hav n GLN 38 Ca -0.18 0.00 -0.29 0.00 -0.01 0.00 0.00 57.00 56.53 3hav n GLN 38 Cb 0.60 -0.67 -0.16 0.00 1.02 0.00 0.00 30.24 31.03 3hav n GLN 38 CO 0.00 0.00 0.00 0.71 -1.01 0.00 0.00 177.06 176.76 3hav s TYR 39 N -0.82 2.10 -0.33 1.08 1.51 0.04 0.69 117.35 121.62 3hav s TYR 39 Ca 0.00 -0.65 -0.12 0.00 -1.01 0.00 0.00 57.07 55.29 3hav s TYR 39 Cb 0.00 -1.40 -0.01 0.00 -0.11 0.00 0.00 41.96 40.44 3hav s TYR 39 CO 0.00 -0.22 0.22 0.08 -1.11 0.00 0.00 175.55 174.52 3hav s VAL 40 N 0.00 5.10 -0.31 0.71 1.01 0.61 0.80 120.40 128.32 3hav s VAL 40 Ca -0.06 -0.29 -0.08 0.00 0.00 0.00 0.00 61.98 61.55 3hav s VAL 40 Cb -0.13 -3.62 0.01 0.00 0.00 0.00 0.00 36.38 32.63 3hav s VAL 40 CO 0.04 -0.00 0.12 -0.69 0.00 0.00 0.00 175.10 174.57 3hav s VAL 41 N 1.69 4.25 -0.31 2.92 1.01 0.70 -1.64 120.40 129.02 3hav s VAL 41 Ca 0.06 -0.66 -0.17 0.00 0.00 0.00 0.00 61.98 61.21 3hav s VAL 41 Cb -0.17 -3.22 -0.02 0.00 0.00 0.00 0.00 36.38 32.96 3hav s VAL 41 CO 0.09 0.01 0.46 -0.54 0.00 0.00 0.00 175.10 175.12 3hav s LYS 42 N 1.54 3.79 -0.60 2.72 1.02 0.87 -0.56 119.74 128.53 3hav s LYS 42 Ca 0.03 -0.06 -0.06 0.00 0.02 0.00 0.00 55.97 55.90 3hav s LYS 42 Cb -0.18 -3.74 0.16 0.00 -0.52 0.00 0.00 37.83 33.55 3hav s LYS 42 CO 0.04 -0.48 0.44 0.08 -0.92 0.00 0.00 175.35 174.52 3hav s VAL 43 N 2.24 4.09 0.56 3.17 1.01 0.14 -0.89 120.40 130.71 3hav s VAL 43 Ca 0.17 -2.51 -0.21 0.00 0.00 0.00 0.00 61.98 59.44 3hav s VAL 43 Cb -0.16 -3.65 -0.05 0.00 0.00 0.00 0.00 36.38 32.51 3hav s VAL 43 CO 0.11 -0.86 1.16 -2.65 0.00 0.00 0.00 175.10 172.86 3hav n PRO 44 N 4.02 1.31 -0.02 2.72 -0.02 -1.25 -1.67 135.00 140.08 3hav n PRO 44 Ca 0.04 0.49 0.01 0.00 -2.02 0.00 0.00 63.50 62.02 3hav n PRO 44 Cb 0.40 -2.34 -0.08 0.00 -0.02 0.00 0.00 33.50 31.46 3hav n PRO 44 CO 0.00 0.00 0.00 1.17 1.98 0.00 0.00 175.50 178.65 3hav n LYS 45 N -0.90 1.13 -3.97 -0.52 4.81 0.13 -4.88 118.16 113.96 3hav n LYS 45 Ca 0.12 -0.06 -0.09 0.00 -0.87 0.00 0.00 58.31 57.41 3hav n LYS 45 Cb 0.45 -1.25 -0.11 0.00 0.02 0.00 0.00 35.03 34.14 3hav n LYS 45 CO 0.00 0.00 0.00 -0.98 1.17 0.00 0.00 177.40 177.59 3hav s ARG 46 N -2.54 0.29 0.23 1.64 1.04 -1.25 -5.03 118.95 113.33 3hav s ARG 46 Ca -0.04 -0.57 -0.08 0.00 -1.04 0.00 0.00 55.73 54.00 3hav s ARG 46 Cb 0.05 0.10 0.37 0.00 -2.04 0.00 0.00 34.95 33.44 3hav s ARG 46 CO 0.42 -0.05 1.68 -0.44 -0.04 0.00 0.00 175.30 176.88 3hav h ASP 47 N 4.75 -0.10 -0.28 -2.89 3.45 -1.96 0.90 116.42 120.28 3hav h ASP 47 Ca -0.31 0.14 0.08 0.00 0.43 0.00 0.00 57.03 57.37 3hav h ASP 47 Cb 1.21 0.22 -0.01 0.00 -0.56 0.00 0.00 39.33 40.18 3hav h ASP 47 CO 0.42 -0.06 0.33 0.77 -1.57 0.00 0.00 179.24 179.13 3hav h SER 48 N 0.21 0.00 0.18 6.45 4.64 -2.00 0.11 113.55 123.15 3hav h SER 48 Ca 0.36 0.00 -0.26 0.00 -0.47 0.00 0.00 61.79 61.42 3hav h SER 48 Cb 0.60 0.00 0.03 0.00 -0.31 0.00 0.00 62.40 62.71 3hav h SER 48 CO -0.50 0.00 -1.12 0.58 -0.87 0.00 0.00 176.83 174.92 3hav h VAL 49 N 0.00 1.39 -0.50 0.95 2.07 -1.18 -2.98 116.25 116.00 3hav h VAL 49 Ca 0.13 -2.58 0.10 0.00 0.82 0.00 0.00 66.70 65.17 3hav h VAL 49 Cb 0.80 3.07 -0.08 0.00 -1.52 0.00 0.00 31.29 33.55 3hav h VAL 49 CO -0.00 0.75 -0.00 0.03 0.02 0.00 0.00 177.57 178.37 3hav h ARG 50 N -0.08 0.11 -0.78 1.57 3.08 -0.62 0.15 114.38 117.80 3hav h ARG 50 Ca -0.19 -0.01 0.02 0.00 0.07 0.00 0.00 59.98 59.87 3hav h ARG 50 Cb 1.88 -0.02 -0.04 0.00 0.08 0.00 0.00 29.97 31.86 3hav h ARG 50 CO 0.21 0.07 0.51 0.82 -1.07 0.00 0.00 179.97 180.51 3hav h ILE 51 N 0.11 1.16 -0.54 2.04 5.03 -1.37 0.76 117.51 124.71 3hav h ILE 51 Ca 0.25 -0.35 -0.10 0.00 -0.12 0.00 0.00 64.86 64.55 3hav h ILE 51 Cb 0.38 0.05 -0.02 0.00 -3.03 0.00 0.00 36.82 34.20 3hav h ILE 51 CO -0.42 0.19 -0.04 -1.28 -0.68 0.00 0.00 178.15 175.91 3hav h SER 52 N 1.02 0.94 0.10 1.72 0.87 -1.13 -2.67 113.55 114.39 3hav h SER 52 Ca 0.30 -0.27 -0.20 0.00 -1.23 0.00 0.00 61.79 60.39 3hav h SER 52 Cb -0.06 -0.25 0.00 0.00 -0.44 0.00 0.00 62.40 61.65 3hav h SER 52 CO -0.09 1.02 -0.74 1.56 -0.53 0.00 0.00 176.83 178.05 3hav h GLN 53 N 0.87 0.55 0.20 2.24 4.20 -0.26 -1.61 115.11 121.30 3hav h GLN 53 Ca 0.15 -0.45 0.01 0.00 0.06 0.00 0.00 58.65 58.42 3hav h GLN 53 Cb 0.57 0.09 -0.04 0.00 0.30 0.00 0.00 27.48 28.40 3hav h GLN 53 CO 0.03 1.07 -0.46 0.87 -0.67 0.00 0.00 178.83 179.68 3hav h LYS 54 N 0.38 -0.72 -0.80 1.46 1.57 -0.78 0.15 116.57 117.83 3hav h LYS 54 Ca -0.04 0.05 0.10 0.00 -1.87 0.00 0.00 60.65 58.89 3hav h LYS 54 Cb 1.33 0.16 -0.05 0.00 0.08 0.00 0.00 32.23 33.75 3hav h LYS 54 CO 0.14 -0.48 0.52 -0.09 -0.57 0.00 0.00 179.45 178.97 3hav h ARG 55 N -0.75 0.70 -0.08 3.15 2.43 -1.45 -0.62 114.38 117.76 3hav h ARG 55 Ca -0.00 -0.04 -0.01 0.00 -0.81 0.00 0.00 59.98 59.12 3hav h ARG 55 Cb 0.74 -0.16 -0.00 0.00 -0.42 0.00 0.00 29.97 30.12 3hav h ARG 55 CO -0.22 0.46 0.02 1.49 -1.51 0.00 0.00 179.97 180.22 3hav h GLU 56 N 0.72 0.13 0.00 0.20 4.81 -0.52 -2.65 114.58 117.28 3hav h GLU 56 Ca 0.37 -0.03 -0.06 0.00 -0.13 0.00 0.00 59.36 59.51 3hav h GLU 56 Cb 0.46 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.82 3hav h GLU 56 CO -0.14 0.32 -0.27 0.74 -0.73 0.00 0.00 179.01 178.93 3hav h PHE 57 N -0.07 0.00 -0.14 0.92 -1.00 0.03 -2.44 116.94 114.24 3hav h PHE 57 Ca 0.03 0.00 -0.12 0.00 2.81 0.00 0.00 57.97 60.69 3hav h PHE 57 Cb 0.24 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 39.79 3hav h PHE 57 CO 0.00 0.27 -0.44 0.93 -1.61 0.00 0.00 178.31 177.46 3hav h GLU 58 N 0.00 0.34 -0.52 1.51 5.08 -1.09 -1.48 114.58 118.42 3hav h GLU 58 Ca -0.00 -0.17 -0.10 0.00 -1.00 0.00 0.00 59.36 58.08 3hav h GLU 58 Cb 0.86 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.10 3hav h GLU 58 CO 0.03 0.72 -0.08 1.25 -1.00 0.00 0.00 179.01 179.94 3hav h LEU 59 N 0.27 0.94 -0.23 1.33 5.85 -1.08 -1.18 115.31 121.21 3hav h LEU 59 Ca 0.02 -0.29 -0.01 0.00 0.84 0.00 0.00 57.88 58.44 3hav h LEU 59 Cb 0.89 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 41.66 3hav h LEU 59 CO 0.07 1.04 0.10 1.88 -0.34 0.00 0.00 178.44 181.19 3hav h TYR 60 N 0.86 0.35 -0.61 1.25 0.99 -1.18 0.32 116.97 118.95 3hav h TYR 60 Ca 0.14 -0.02 0.10 0.00 2.00 0.00 0.00 58.73 60.95 3hav h TYR 60 Cb 0.61 -0.11 -0.07 0.00 1.00 0.00 0.00 36.73 38.16 3hav h TYR 60 CO 0.04 0.37 0.23 0.00 -0.00 0.00 0.00 178.16 178.80 3hav h ARG 61 N 0.23 0.39 -0.24 4.88 2.47 -1.17 -1.52 114.38 119.41 3hav h ARG 61 Ca 0.08 -0.02 -0.04 0.00 -1.26 0.00 0.00 59.98 58.74 3hav h ARG 61 Cb 0.17 -0.09 -0.01 0.00 -1.65 0.00 0.00 29.97 28.38 3hav h ARG 61 CO -0.01 0.26 -0.02 0.35 0.56 0.00 0.00 179.97 181.12 3hav h PHE 62 N 0.40 0.37 -0.00 3.04 3.57 -0.69 -2.14 116.94 121.49 3hav h PHE 62 Ca 0.31 -0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.78 3hav h PHE 62 Cb 0.39 -0.11 0.00 0.00 2.79 0.00 0.00 35.95 39.02 3hav h PHE 62 CO -0.17 0.39 -0.03 1.28 -2.23 0.00 0.00 178.31 177.55 3hav n LEU 63 N -4.33 0.17 -0.12 0.59 4.32 0.06 -3.38 117.00 114.31 3hav n LEU 63 Ca 0.00 0.10 0.20 0.00 -0.02 0.00 0.00 56.01 56.29 3hav n LEU 63 Cb 0.21 -0.16 0.61 0.00 -1.62 0.00 0.00 43.42 42.46 3hav n LEU 63 CO 0.37 0.03 1.21 -0.33 -1.22 0.00 0.00 177.39 177.46 3hav h GLU 64 N 0.22 0.19 0.00 3.23 5.08 -0.96 -3.39 114.58 118.95 3hav h GLU 64 Ca 0.00 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 3hav h GLU 64 Cb 0.22 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.43 3hav h GLU 64 CO 0.00 0.13 0.00 0.09 -1.00 0.00 0.00 179.01 178.23 3hav n ASN 65 N -4.41 0.00 0.00 1.42 3.02 -1.22 -4.66 115.26 109.41 3hav n ASN 65 Ca 0.14 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.69 3hav n ASN 65 Cb 0.65 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.82 3hav n ASN 65 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3hav n LYS 67 N 0.00 -2.07 -3.72 0.00 4.76 -1.26 -4.96 118.16 110.91 3hav n LYS 67 Ca 0.00 1.69 -0.37 0.00 -2.87 0.00 0.00 58.31 56.76 3hav n LYS 67 Cb 0.00 -3.38 -0.06 0.00 -1.84 0.00 0.00 35.03 29.75 3hav n LYS 67 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 3hav s LEU 68 N -2.43 4.41 0.19 -0.35 1.43 -1.26 -4.98 118.68 115.70 3hav s LEU 68 Ca 0.31 0.65 0.19 0.00 -1.03 0.00 0.00 54.13 54.25 3hav s LEU 68 Cb -0.05 -2.28 0.85 0.00 0.03 0.00 0.00 46.19 44.74 3hav s LEU 68 CO 0.80 0.35 1.57 -1.20 0.23 0.00 0.00 176.35 178.11 3hav n SER 69 N 2.06 0.44 -4.03 2.29 7.64 -1.26 -4.61 113.62 116.15 3hav n SER 69 Ca -0.17 0.64 -0.20 0.00 1.01 0.00 0.00 58.87 60.14 3hav n SER 69 Cb 0.54 -0.72 -0.15 0.00 -1.01 0.00 0.00 64.21 62.87 3hav n SER 69 CO 0.00 0.00 0.00 -0.31 -3.01 0.00 0.00 175.04 171.72 3hav s TYR 70 N -3.27 0.98 0.58 1.43 1.51 -1.26 -5.06 117.35 112.25 3hav s TYR 70 Ca 0.03 -0.22 -0.20 0.00 -1.01 0.00 0.00 57.07 55.67 3hav s TYR 70 Cb 0.08 -0.67 -0.04 0.00 -0.11 0.00 0.00 41.96 41.22 3hav s TYR 70 CO 0.28 -0.06 1.26 1.04 -1.11 0.00 0.00 175.55 176.96 3hav n GLN 71 N 3.06 1.38 -4.31 -0.62 6.02 -0.94 -4.74 117.38 117.23 3hav n GLN 71 Ca -0.16 0.52 -0.16 0.00 -0.01 0.00 0.00 57.00 57.19 3hav n GLN 71 Cb 0.55 -2.47 -0.10 0.00 1.02 0.00 0.00 30.24 29.24 3hav n GLN 71 CO 0.00 0.00 0.00 0.96 -1.01 0.00 0.00 177.06 177.01 3hav s ILE 72 N -1.35 0.91 0.06 5.09 -5.25 -1.26 -0.60 121.20 118.81 3hav s ILE 72 Ca 0.75 -2.02 -0.35 0.00 -0.99 0.00 0.00 60.65 58.04 3hav s ILE 72 Cb -0.41 -2.32 -0.15 0.00 2.95 0.00 0.00 42.46 42.54 3hav s ILE 72 CO 0.47 -0.33 1.57 -2.65 -1.79 0.00 0.00 174.94 172.20 3hav n PRO 73 N -0.38 1.77 -3.74 0.37 -0.02 -1.26 -4.96 135.00 126.78 3hav n PRO 73 Ca -0.05 0.64 -0.37 0.00 -2.02 0.00 0.00 63.50 61.70 3hav n PRO 73 Cb 0.64 -2.38 -0.12 0.00 -0.02 0.00 0.00 33.50 31.62 3hav n PRO 73 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3hav s ALA 74 N 1.50 3.14 0.29 3.55 0.00 -1.26 -4.85 121.76 124.13 3hav s ALA 74 Ca 0.84 -1.27 -0.29 0.00 0.00 0.00 0.00 51.96 51.24 3hav s ALA 74 Cb -0.80 -2.14 -0.10 0.00 0.00 0.00 0.00 23.12 20.09 3hav s ALA 74 CO 0.45 -0.68 1.18 0.08 0.00 0.00 0.00 175.76 176.79 3hav s VAL 75 N 1.58 3.23 0.00 0.00 1.01 -1.26 -1.27 120.40 123.68 3hav s VAL 75 Ca 0.05 1.21 0.00 0.00 0.00 0.00 0.00 61.98 63.24 3hav s VAL 75 Cb -0.16 -3.77 0.00 0.00 0.00 0.00 0.00 36.38 32.45 3hav s VAL 75 CO 0.03 0.28 0.00 1.33 0.00 0.00 0.00 175.10 176.74 3hav n VAL 76 N 1.21 0.00 -3.61 2.92 0.24 -0.79 -4.91 118.33 113.39 3hav n VAL 76 Ca -0.00 -0.28 -0.09 0.00 -2.04 0.00 0.00 64.34 61.93 3hav n VAL 76 Cb 0.44 0.79 -0.06 0.00 -1.47 0.00 0.00 33.84 33.54 3hav n VAL 76 CO 0.00 0.00 0.00 -0.47 -2.14 0.00 0.00 176.83 174.22 3hav s TYR 77 N -1.28 -0.37 -0.00 6.34 5.04 -1.19 -4.98 117.35 120.91 3hav s TYR 77 Ca 0.00 0.76 0.02 0.00 -2.44 0.00 0.00 57.07 55.41 3hav s TYR 77 Cb 0.00 0.42 -0.00 0.00 0.35 0.00 0.00 41.96 42.73 3hav s TYR 77 CO 0.00 -0.26 -0.05 -0.65 -1.34 0.00 0.00 175.55 173.25 3hav s GLN 78 N -0.51 0.40 0.05 4.97 -0.21 -1.26 -1.36 119.66 121.73 3hav s GLN 78 Ca 0.01 -0.21 -0.27 0.00 0.02 0.00 0.00 55.36 54.91 3hav s GLN 78 Cb -0.03 -0.37 0.10 0.00 1.00 0.00 0.00 33.01 33.71 3hav s GLN 78 CO -0.03 0.10 1.20 -1.54 -2.12 0.00 0.00 175.29 172.89 3hav s SER 79 N -0.20 -0.04 0.18 5.90 1.04 -1.15 -5.02 113.70 114.41 3hav s SER 79 Ca 0.01 -0.30 -0.07 0.00 0.48 0.00 0.00 55.95 56.07 3hav s SER 79 Cb -0.02 0.27 0.07 0.00 0.10 0.00 0.00 66.02 66.43 3hav s SER 79 CO -0.00 -0.51 1.55 0.44 0.98 0.00 0.00 173.24 175.69 3hav h ASP 80 N 2.00 0.88 -0.10 7.02 3.32 -2.01 -3.31 116.42 124.22 3hav h ASP 80 Ca -0.27 -0.37 -0.04 0.00 0.02 0.00 0.00 57.03 56.37 3hav h ASP 80 Cb 1.20 -0.24 -0.00 0.00 0.22 0.00 0.00 39.33 40.51 3hav h ASP 80 CO 0.30 1.12 -0.11 0.03 -1.72 0.00 0.00 179.24 178.87 3hav h ARG 81 N 0.70 0.25 -2.71 3.56 3.08 -1.96 -3.45 114.38 113.85 3hav h ARG 81 Ca 0.07 -0.13 -0.04 0.00 0.07 0.00 0.00 59.98 59.95 3hav h ARG 81 Cb 0.88 0.01 -0.15 0.00 0.08 0.00 0.00 29.97 30.79 3hav h ARG 81 CO 0.08 0.67 0.16 -0.59 -1.07 0.00 0.00 179.97 179.22 3hav s PHE 82 N -4.26 -0.53 -0.01 3.04 -0.12 -1.25 -3.97 117.98 110.88 3hav s PHE 82 Ca -0.15 0.55 0.07 0.00 -0.05 0.00 0.00 56.93 57.35 3hav s PHE 82 Cb 0.04 0.46 -0.02 0.00 -0.63 0.00 0.00 43.02 42.87 3hav s PHE 82 CO 0.73 -0.74 -0.23 -0.80 -0.05 0.00 0.00 175.22 174.13 3hav s ASN 83 N -2.19 3.34 -0.02 1.98 0.01 -0.07 -2.91 114.94 115.07 3hav s ASN 83 Ca -0.03 -0.43 0.07 0.00 -0.71 0.00 0.00 52.86 51.76 3hav s ASN 83 Cb -0.01 -0.46 -0.02 0.00 0.41 0.00 0.00 41.25 41.18 3hav s ASN 83 CO -0.05 0.31 -0.22 -0.63 -1.51 0.00 0.00 177.10 175.00 3hav s ILE 84 N -0.69 1.79 0.21 0.60 1.01 -0.46 -0.09 121.20 123.56 3hav s ILE 84 Ca 0.11 -0.96 -0.00 0.00 0.00 0.00 0.00 60.65 59.80 3hav s ILE 84 Cb -0.10 -1.49 -0.04 0.00 0.01 0.00 0.00 42.46 40.83 3hav s ILE 84 CO 0.00 0.50 0.10 0.00 0.00 0.00 0.00 174.94 175.55 3hav s MET 85 N -0.44 1.24 0.28 2.79 0.23 -0.65 -1.89 119.30 120.85 3hav s MET 85 Ca 0.06 -1.65 -0.26 0.00 -1.03 0.00 0.00 55.69 52.81 3hav s MET 85 Cb -0.10 0.07 -0.09 0.00 -1.53 0.00 0.00 34.83 33.18 3hav s MET 85 CO -0.00 -0.33 0.90 0.15 -2.03 0.00 0.00 175.02 173.70 3hav s LYS 86 N -4.10 4.60 -0.19 3.16 1.02 -0.40 -0.28 119.74 123.55 3hav s LYS 86 Ca 0.36 1.29 -0.29 0.00 0.02 0.00 0.00 55.97 57.35 3hav s LYS 86 Cb 0.07 -2.96 -0.01 0.00 -0.52 0.00 0.00 37.83 34.41 3hav s LYS 86 CO 0.11 0.38 1.26 -0.47 -0.92 0.00 0.00 175.35 175.71 3hav s TYR 87 N -1.46 2.83 -0.58 3.18 5.04 0.22 -4.64 117.35 121.93 3hav s TYR 87 Ca 0.46 1.00 -0.18 0.00 -2.44 0.00 0.00 57.07 55.90 3hav s TYR 87 Cb -0.20 -3.57 0.10 0.00 0.35 0.00 0.00 41.96 38.64 3hav s TYR 87 CO 0.25 -1.67 0.67 0.42 -1.34 0.00 0.00 175.55 173.89 3hav s ILE 88 N 3.66 4.88 0.22 3.14 1.01 -1.26 -4.92 121.20 127.92 3hav s ILE 88 Ca 0.55 -1.04 -0.30 0.00 0.00 0.00 0.00 60.65 59.85 3hav s ILE 88 Cb -0.21 -4.46 -0.09 0.00 0.01 0.00 0.00 42.46 37.72 3hav s ILE 88 CO 0.16 -1.08 1.23 -0.75 0.00 0.00 0.00 174.94 174.50 3hav s LYS 89 N 2.53 4.47 0.00 2.79 2.20 -1.26 -4.93 119.74 125.54 3hav s LYS 89 Ca 0.10 1.95 0.00 0.00 -0.36 0.00 0.00 55.97 57.67 3hav s LYS 89 Cb -0.25 -3.20 0.00 0.00 -1.51 0.00 0.00 37.83 32.87 3hav s LYS 89 CO 0.06 -0.10 0.00 0.41 -0.36 0.00 0.00 175.35 175.36 3hav n GLY 90 N 1.92 1.79 3.60 5.54 0.00 -1.26 -4.91 105.19 111.87 3hav n GLY 90 Ca 0.03 -0.24 -0.10 0.00 0.00 0.00 0.00 46.02 45.71 3hav n GLY 90 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3hav s GLU 91 N 2.77 0.59 0.00 1.61 -1.05 -0.34 -4.88 118.70 117.40 3hav s GLU 91 Ca 0.00 0.38 0.00 0.00 -0.15 0.00 0.00 54.97 55.20 3hav s GLU 91 Cb 0.00 0.28 0.00 0.00 -0.44 0.00 0.00 34.13 33.97 3hav s GLU 91 CO 0.00 -0.13 0.00 2.89 0.95 0.00 0.00 175.26 178.97 3hav n ARG 92 N 1.47 0.00 -2.78 -4.83 -4.01 -1.26 -3.37 116.66 101.88 3hav n ARG 92 Ca -0.12 0.00 -0.00 0.00 -1.04 0.00 0.00 57.85 56.69 3hav n ARG 92 Cb 0.57 0.00 -0.00 0.00 -3.04 0.00 0.00 32.46 29.99 3hav n ARG 92 CO 0.00 0.00 0.00 -0.89 -3.04 0.00 0.00 177.63 173.70 3hav n ILE 93 N 0.00-10.82 -2.79 8.89 5.41 -1.26 -4.83 119.36 113.95 3hav n ILE 93 Ca 0.00 1.72 -0.20 0.00 1.00 0.00 0.00 62.75 65.27 3hav n ILE 93 Cb 0.00 -6.43 0.03 0.00 -0.71 0.00 0.00 39.64 32.53 3hav n ILE 93 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 176.55 176.97 3hav s THR 94 N -1.52 2.76 0.26 1.39 -4.23 -1.26 -4.91 115.64 108.13 3hav s THR 94 Ca -0.01 -0.80 -0.02 0.00 -1.18 0.00 0.00 61.69 59.68 3hav s THR 94 Cb 0.00 -2.96 0.23 0.00 1.34 0.00 0.00 72.50 71.11 3hav s THR 94 CO 0.69 0.00 1.80 0.22 -0.54 0.00 0.00 174.62 176.78 3hav h TYR 95 N 0.27 0.87 -0.50 3.99 3.20 -1.95 -0.83 116.97 122.03 3hav h TYR 95 Ca -0.41 0.03 -0.01 0.00 3.14 0.00 0.00 58.73 61.48 3hav h TYR 95 Cb 1.29 -0.26 -0.02 0.00 1.54 0.00 0.00 36.73 39.28 3hav h TYR 95 CO 0.37 0.30 0.27 1.49 -1.64 0.00 0.00 178.16 178.95 3hav h GLU 96 N 0.76 0.69 -0.58 1.82 4.81 -1.94 -3.10 114.58 117.05 3hav h GLU 96 Ca 0.44 -0.08 -0.08 0.00 -0.13 0.00 0.00 59.36 59.50 3hav h GLU 96 Cb 0.49 -0.13 -0.02 0.00 0.63 0.00 0.00 28.75 29.72 3hav h GLU 96 CO -0.29 0.55 0.05 1.96 -0.73 0.00 0.00 179.01 180.54 3hav h GLN 97 N 0.66 0.99 -0.76 1.92 4.20 -1.64 -3.21 115.11 117.26 3hav h GLN 97 Ca 0.17 -0.29 -0.05 0.00 0.06 0.00 0.00 58.65 58.54 3hav h GLN 97 Cb 0.06 -0.10 -0.03 0.00 0.30 0.00 0.00 27.48 27.70 3hav h GLN 97 CO -0.03 0.96 0.27 -0.92 -0.67 0.00 0.00 178.83 178.45 3hav h TYR 98 N 0.88 1.19 0.00 2.96 3.20 -1.12 -2.35 116.97 121.74 3hav h TYR 98 Ca 0.17 -0.10 0.00 0.00 3.14 0.00 0.00 58.73 61.93 3hav h TYR 98 Cb 0.49 -0.35 0.00 0.00 1.54 0.00 0.00 36.73 38.40 3hav h TYR 98 CO 0.04 0.92 0.00 0.72 -1.64 0.00 0.00 178.16 178.20 3hav n HIS 99 N -4.28 0.00 1.11 -3.82 8.25 -1.19 -2.00 115.22 113.29 3hav n HIS 99 Ca 0.06 0.00 0.12 0.00 -0.26 0.00 0.00 57.72 57.65 3hav n HIS 99 Cb 0.21 -0.27 0.23 0.00 1.12 0.00 0.00 29.99 31.27 3hav n HIS 99 CO 0.00 0.00 0.00 1.17 0.64 0.00 0.00 176.34 178.15 3hav n LYS 100 N -1.27 0.57 -2.48 -0.41 4.81 -0.89 -4.93 118.16 113.55 3hav n LYS 100 Ca 0.12 -0.38 -0.28 0.00 -0.87 0.00 0.00 58.31 56.90 3hav n LYS 100 Cb 0.19 -1.49 0.00 0.00 0.02 0.00 0.00 35.03 33.75 3hav n LYS 100 CO 0.00 0.00 0.00 -0.51 1.17 0.00 0.00 177.40 178.06 3hav s LEU 101 N -2.69 3.55 0.68 3.14 1.43 -0.85 -5.07 118.68 118.87 3hav s LEU 101 Ca 0.18 1.03 -0.13 0.00 -1.03 0.00 0.00 54.13 54.18 3hav s LEU 101 Cb 0.18 -4.00 0.00 0.00 0.03 0.00 0.00 46.19 42.40 3hav s LEU 101 CO 0.62 -0.64 1.07 -0.94 0.23 0.00 0.00 176.35 176.69 3hav s SER 102 N -4.11 5.29 0.54 2.29 1.04 -1.26 -4.80 113.70 112.69 3hav s SER 102 Ca 0.49 1.77 0.21 0.00 0.48 0.00 0.00 55.95 58.90 3hav s SER 102 Cb -0.10 -2.52 1.40 0.00 0.10 0.00 0.00 66.02 64.90 3hav s SER 102 CO 0.47 -1.50 2.14 -0.33 0.98 0.00 0.00 173.24 174.99 3hav h GLU 103 N -0.35 0.00 -0.13 4.02 4.39 -1.97 0.38 114.58 120.92 3hav h GLU 103 Ca -0.45 0.00 -0.17 0.00 0.34 0.00 0.00 59.36 59.08 3hav h GLU 103 Cb 1.22 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.87 3hav h GLU 103 CO 0.55 0.00 -0.63 0.87 -1.16 0.00 0.00 179.01 178.65 3hav h LYS 104 N 0.00 0.47 0.00 2.33 1.57 -1.99 -1.05 116.57 117.89 3hav h LYS 104 Ca 0.05 -0.33 -0.17 0.00 -1.87 0.00 0.00 60.65 58.33 3hav h LYS 104 Cb 0.21 0.05 -0.02 0.00 0.08 0.00 0.00 32.23 32.55 3hav h LYS 104 CO -0.00 0.95 -0.79 0.93 -0.57 0.00 0.00 179.45 179.97 3hav h GLU 105 N 0.34 0.00 -0.33 3.15 5.08 -1.32 -2.83 114.58 118.68 3hav h GLU 105 Ca -0.01 0.00 -0.13 0.00 -1.00 0.00 0.00 59.36 58.22 3hav h GLU 105 Cb 1.18 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.42 3hav h GLU 105 CO 0.11 0.79 -0.31 0.87 -1.00 0.00 0.00 179.01 179.46 3hav h LYS 106 N 0.00 0.79 -0.60 2.33 1.57 -0.28 -3.04 116.57 117.33 3hav h LYS 106 Ca -0.01 -0.41 -0.03 0.00 -1.87 0.00 0.00 60.65 58.33 3hav h LYS 106 Cb 1.51 0.01 -0.03 0.00 0.08 0.00 0.00 32.23 33.81 3hav h LYS 106 CO 0.10 1.04 0.24 -0.44 -0.57 0.00 0.00 179.45 179.82 3hav h ASP 107 N 0.56 0.83 -0.36 0.86 3.32 -1.19 -1.35 116.42 119.09 3hav h ASP 107 Ca 0.05 -0.17 0.03 0.00 0.02 0.00 0.00 57.03 56.96 3hav h ASP 107 Cb 0.89 -0.21 -0.03 0.00 0.22 0.00 0.00 39.33 40.20 3hav h ASP 107 CO 0.08 0.77 0.17 0.00 -1.72 0.00 0.00 179.24 178.55 3hav h ALA 108 N 1.09 0.44 -0.41 3.45 0.00 -1.53 0.47 119.26 122.77 3hav h ALA 108 Ca 0.20 0.01 0.04 0.00 0.00 0.00 0.00 54.91 55.16 3hav h ALA 108 Cb 0.21 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 17.91 3hav h ALA 108 CO -0.02 -0.20 0.18 -0.07 0.00 0.00 0.00 179.25 179.15 3hav h LEU 109 N 0.36 0.23 -1.15 0.00 3.38 -1.39 0.29 115.31 117.03 3hav h LEU 109 Ca 0.15 0.03 -0.04 0.00 0.09 0.00 0.00 57.88 58.12 3hav h LEU 109 Cb 0.07 -0.01 -0.02 0.00 0.09 0.00 0.00 40.66 40.79 3hav h LEU 109 CO -0.11 0.17 0.16 0.00 0.09 0.00 0.00 178.44 178.75 3hav h ALA 110 N 1.24 1.32 -0.23 1.53 0.00 -0.52 -1.42 119.26 121.18 3hav h ALA 110 Ca 0.18 -0.17 -0.04 0.00 0.00 0.00 0.00 54.91 54.88 3hav h ALA 110 Cb 0.13 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 3hav h ALA 110 CO -0.16 0.49 -0.02 -0.92 0.00 0.00 0.00 179.25 178.65 3hav h TYR 111 N 0.74 0.47 0.39 0.00 3.20 0.60 -2.00 116.97 120.37 3hav h TYR 111 Ca 0.17 -0.09 -0.01 0.00 3.14 0.00 0.00 58.73 61.95 3hav h TYR 111 Cb 0.22 -0.12 -0.02 0.00 1.54 0.00 0.00 36.73 38.35 3hav h TYR 111 CO 0.01 0.62 -0.37 -0.44 -1.64 0.00 0.00 178.16 176.34 3hav h ASP 112 N 0.18 -1.01 -0.74 -2.11 3.32 -0.05 0.43 116.42 116.45 3hav h ASP 112 Ca 0.06 0.08 0.02 0.00 0.02 0.00 0.00 57.03 57.22 3hav h ASP 112 Cb 0.44 0.34 -0.04 0.00 0.22 0.00 0.00 39.33 40.29 3hav h ASP 112 CO 0.02 -0.52 0.49 -0.33 -1.72 0.00 0.00 179.24 177.17 3hav h GLU 113 N -0.78 0.93 -0.35 3.56 5.08 -1.32 -0.98 114.58 120.72 3hav h GLU 113 Ca -0.03 -0.06 -0.08 0.00 -1.00 0.00 0.00 59.36 58.19 3hav h GLU 113 Cb 0.70 -0.21 -0.01 0.00 0.50 0.00 0.00 28.75 29.73 3hav h GLU 113 CO -0.05 0.61 -0.10 0.00 -1.00 0.00 0.00 179.01 178.47 3hav h ALA 114 N 1.55 0.48 -0.67 3.43 0.00 -1.11 -2.04 119.26 120.90 3hav h ALA 114 Ca 0.28 -0.31 -0.05 0.00 0.00 0.00 0.00 54.91 54.83 3hav h ALA 114 Cb -0.04 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.60 3hav h ALA 114 CO -0.07 0.35 0.22 1.15 0.00 0.00 0.00 179.25 180.89 3hav h THR 115 N 0.47 1.24 -0.61 0.00 2.02 -0.28 -0.67 112.91 115.09 3hav h THR 115 Ca 0.09 -0.83 -0.08 0.00 0.77 0.00 0.00 66.41 66.36 3hav h THR 115 Cb 0.62 0.50 -0.02 0.00 -1.74 0.00 0.00 68.15 67.50 3hav h THR 115 CO 0.04 0.33 0.08 0.15 0.37 0.00 0.00 175.52 176.49 3hav h PHE 116 N 0.99 1.10 -0.51 3.16 3.57 -1.12 -1.98 116.94 122.15 3hav h PHE 116 Ca 0.22 -0.16 -0.08 0.00 3.53 0.00 0.00 57.97 61.48 3hav h PHE 116 Cb 0.27 -0.30 -0.02 0.00 2.79 0.00 0.00 35.95 38.69 3hav h PHE 116 CO 0.02 0.95 0.01 -0.07 -2.23 0.00 0.00 178.31 176.99 3hav h LEU 117 N 0.93 0.87 -0.02 0.59 3.38 -0.97 -1.01 115.31 119.07 3hav h LEU 117 Ca 0.18 -0.30 0.02 0.00 0.09 0.00 0.00 57.88 57.87 3hav h LEU 117 Cb 0.45 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.95 3hav h LEU 117 CO 0.02 0.96 -0.07 0.11 0.09 0.00 0.00 178.44 179.54 3hav h LYS 118 N 0.76 -0.11 0.11 1.13 1.79 -0.99 -0.74 116.57 118.53 3hav h LYS 118 Ca 0.15 0.01 -0.00 0.00 -2.18 0.00 0.00 60.65 58.62 3hav h LYS 118 Cb 0.50 0.02 -0.01 0.00 -1.58 0.00 0.00 32.23 31.17 3hav h LYS 118 CO 0.02 -0.07 -0.09 0.93 -1.08 0.00 0.00 179.45 179.17 3hav h GLU 119 N -0.11 -0.20 -0.35 3.15 5.08 -1.27 -1.80 114.58 119.08 3hav h GLU 119 Ca 0.04 0.01 0.06 0.00 -1.00 0.00 0.00 59.36 58.47 3hav h GLU 119 Cb 0.16 0.04 -0.06 0.00 0.50 0.00 0.00 28.75 29.40 3hav h GLU 119 CO -0.09 -0.13 -0.02 1.25 -1.00 0.00 0.00 179.01 179.02 3hav h LEU 120 N -0.20 -0.19 -0.49 1.33 5.85 -1.06 -1.58 115.31 118.97 3hav h LEU 120 Ca -0.00 0.09 0.00 0.00 0.84 0.00 0.00 57.88 58.80 3hav h LEU 120 Cb 0.18 0.16 0.00 0.00 0.37 0.00 0.00 40.66 41.37 3hav h LEU 120 CO -0.01 -0.06 0.00 1.41 -0.34 0.00 0.00 178.44 179.45 3hav n HIS 121 N -5.20 0.76 1.15 1.25 8.25 -0.29 -2.71 115.22 118.42 3hav n HIS 121 Ca 0.01 0.28 0.12 0.00 -0.26 0.00 0.00 57.72 57.87 3hav n HIS 121 Cb 0.18 -0.95 0.23 0.00 1.12 0.00 0.00 29.99 30.57 3hav n HIS 121 CO 0.00 0.00 0.00 0.43 0.64 0.00 0.00 176.34 177.41 3hav n SER 122 N -2.17 1.47 -4.61 0.41 7.64 -0.61 -4.68 113.62 111.06 3hav n SER 122 Ca 0.03 -1.17 -0.43 0.00 1.01 0.00 0.00 58.87 58.31 3hav n SER 122 Cb 0.27 0.27 -0.02 0.00 -1.01 0.00 0.00 64.21 63.71 3hav n SER 122 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 3hav s ILE 123 N -2.47 3.70 -0.09 0.44 1.01 -1.09 -4.94 121.20 117.76 3hav s ILE 123 Ca 0.22 0.73 -0.33 0.00 0.00 0.00 0.00 60.65 61.28 3hav s ILE 123 Cb 0.19 -3.89 -0.11 0.00 0.01 0.00 0.00 42.46 38.66 3hav s ILE 123 CO 0.53 -0.52 1.93 -0.62 0.00 0.00 0.00 174.94 176.26 3hav n GLU 124 N 8.12 2.22 -0.05 2.79 1.02 -1.26 -4.67 120.64 128.80 3hav n GLU 124 Ca 0.19 0.80 -0.01 0.00 -0.02 0.00 0.00 57.16 58.12 3hav n GLU 124 Cb 0.47 -2.72 -0.00 0.00 -0.02 0.00 0.00 31.44 29.16 3hav n GLU 124 CO 0.00 0.00 0.00 0.82 1.18 0.00 0.00 177.13 179.13 3hav h ILE 125 N 5.68 0.00 -3.06 -3.67 1.08 -1.97 -3.51 117.51 112.05 3hav h ILE 125 Ca -0.47 -0.93 0.00 0.00 -0.39 0.00 0.00 64.86 63.07 3hav h ILE 125 Cb 1.27 0.00 0.00 0.00 -3.07 0.00 0.00 36.82 35.02 3hav h ILE 125 CO 0.95 0.00 -0.03 -0.67 -0.69 0.00 0.00 178.15 177.71 3hav n ASP 126 N -4.54 -2.17 0.00 1.72 2.03 -1.26 -4.92 116.55 107.41 3hav n ASP 126 Ca -0.02 0.04 0.10 0.00 0.52 0.00 0.00 54.79 55.43 3hav n ASP 126 Cb 0.07 -1.12 0.59 0.00 -0.72 0.00 0.00 41.12 39.94 3hav n ASP 126 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3hav h SER 128 N 0.00 0.97 -3.17 0.00 0.87 -1.97 -3.37 113.55 106.89 3hav h SER 128 Ca 0.00 -0.25 -0.53 0.00 -1.23 0.00 0.00 61.79 59.78 3hav h SER 128 Cb 0.04 -0.26 0.06 0.00 -0.44 0.00 0.00 62.40 61.80 3hav h SER 128 CO 0.00 0.98 0.83 -0.69 -0.53 0.00 0.00 176.83 177.42 3hav s VAL 129 N -5.24 2.50 0.48 2.23 1.01 -1.10 -4.90 120.40 115.39 3hav s VAL 129 Ca -0.12 0.39 0.27 0.00 0.00 0.00 0.00 61.98 62.52 3hav s VAL 129 Cb 0.13 -3.25 0.30 0.00 0.00 0.00 0.00 36.38 33.57 3hav s VAL 129 CO 0.83 0.05 2.13 0.77 0.00 0.00 0.00 175.10 178.89 3hav h SER 130 N 5.61 0.00 0.53 3.32 4.64 -1.90 -1.89 113.55 123.85 3hav h SER 130 Ca -0.45 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.87 3hav h SER 130 Cb 1.21 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.30 3hav h SER 130 CO 0.83 0.08 0.00 0.25 -0.87 0.00 0.00 176.83 177.12 3hav h LEU 131 N 0.00 0.00 0.00 5.97 7.12 -1.94 -2.12 115.31 124.34 3hav h LEU 131 Ca -0.00 0.00 -0.01 0.00 0.13 0.00 0.00 57.88 58.00 3hav h LEU 131 Cb 0.21 0.00 -0.00 0.00 -0.53 0.00 0.00 40.66 40.33 3hav h LEU 131 CO 0.01 0.00 -1.40 0.49 -0.13 0.00 0.00 178.44 177.41 3hav n PHE 132 N -3.05 0.00 0.07 1.25 3.01 -0.77 -4.10 117.46 113.87 3hav n PHE 132 Ca -0.01 0.00 -0.08 0.00 1.01 0.00 0.00 57.45 58.37 3hav n PHE 132 Cb 0.19 -0.21 0.04 0.00 -0.01 0.00 0.00 39.48 39.49 3hav n PHE 132 CO 0.00 0.00 0.00 0.66 1.01 0.00 0.00 176.76 178.43 3hav h SER 133 N 0.00 0.35 1.16 4.37 4.64 -1.25 -1.14 113.55 121.67 3hav h SER 133 Ca -0.02 -0.24 0.00 0.00 -0.47 0.00 0.00 61.79 61.06 3hav h SER 133 Cb 0.48 -0.11 0.00 0.00 -0.31 0.00 0.00 62.40 62.47 3hav h SER 133 CO 0.00 0.97 0.00 0.44 -0.87 0.00 0.00 176.83 177.38 3hav h ASP 134 N 0.19 0.00 0.52 4.97 3.45 -1.61 -3.13 116.42 120.81 3hav h ASP 134 Ca -0.03 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.43 3hav h ASP 134 Cb 1.31 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 40.08 3hav h ASP 134 CO 0.12 0.00 -1.19 0.00 -1.57 0.00 0.00 179.24 176.60 3hav n ALA 135 N -1.97 3.05 -1.79 3.45 0.00 -0.89 -4.92 120.51 117.44 3hav n ALA 135 Ca 0.02 -0.38 -0.41 0.00 0.00 0.00 0.00 53.44 52.67 3hav n ALA 135 Cb 0.34 -0.97 -0.01 0.00 0.00 0.00 0.00 19.45 18.80 3hav n ALA 135 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 3hav s LEU 136 N -4.43 4.35 -0.26 0.00 0.20 -0.48 -0.67 118.68 117.39 3hav s LEU 136 Ca 0.00 2.90 -0.15 0.00 0.69 0.00 0.00 54.13 57.58 3hav s LEU 136 Cb 0.13 -3.65 -0.12 0.00 -0.43 0.00 0.00 46.19 42.12 3hav s LEU 136 CO 0.82 -0.81 -0.28 0.55 -0.29 0.00 0.00 176.35 176.33 3hav n VAL 137 N 1.42 1.53 -2.77 1.68 3.14 -1.09 -4.88 118.33 117.36 3hav n VAL 137 Ca 0.04 -0.28 -0.01 0.00 -2.96 0.00 0.00 64.34 61.14 3hav n VAL 137 Cb 0.39 -1.96 -0.01 0.00 -1.06 0.00 0.00 33.84 31.21 3hav n VAL 137 CO 0.00 0.00 0.00 0.59 -6.46 0.00 0.00 176.83 170.96 3hav n ASN 138 N -4.30 -6.87 -0.02 6.55 3.02 -1.26 -4.58 115.26 107.80 3hav n ASN 138 Ca -0.47 1.30 -0.11 0.00 -0.03 0.00 0.00 54.58 55.27 3hav n ASN 138 Cb 0.81 -4.80 0.03 0.00 -0.61 0.00 0.00 39.78 35.21 3hav n ASN 138 CO 0.00 0.00 0.00 0.50 -2.62 0.00 0.00 177.26 175.14 3hav h LYS 139 N 3.32 0.65 -0.48 3.52 1.63 -1.98 -2.56 116.57 120.67 3hav h LYS 139 Ca -0.07 -0.41 -0.05 0.00 -0.85 0.00 0.00 60.65 59.27 3hav h LYS 139 Cb 0.29 0.05 -0.02 0.00 -0.60 0.00 0.00 32.23 31.95 3hav h LYS 139 CO 0.07 1.03 0.10 -0.22 -3.45 0.00 0.00 179.45 176.98 3hav h LYS 140 N 0.50 0.72 0.76 1.90 3.64 -1.94 -0.94 116.57 121.22 3hav h LYS 140 Ca 0.01 -0.14 -0.04 0.00 -1.27 0.00 0.00 60.65 59.21 3hav h LYS 140 Cb 1.11 -0.11 0.01 0.00 -0.41 0.00 0.00 32.23 32.82 3hav h LYS 140 CO 0.11 0.67 -0.37 -0.44 -2.27 0.00 0.00 179.45 177.15 3hav h ASP 141 N 0.70 -0.86 -0.01 4.20 3.45 -1.81 -0.91 116.42 121.18 3hav h ASP 141 Ca 0.16 0.02 0.00 0.00 0.43 0.00 0.00 57.03 57.63 3hav h ASP 141 Cb 0.28 0.22 -0.00 0.00 -0.56 0.00 0.00 39.33 39.28 3hav h ASP 141 CO -0.00 -0.58 0.01 0.50 -1.57 0.00 0.00 179.24 177.60 3hav h LYS 142 N -1.09 0.00 0.22 3.56 3.64 -1.39 0.62 116.57 122.13 3hav h LYS 142 Ca -0.10 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.26 3hav h LYS 142 Cb 0.80 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.62 3hav h LYS 142 CO 0.17 0.00 -0.11 0.74 -2.27 0.00 0.00 179.45 177.99 3hav h PHE 143 N 0.00 -0.28 0.00 1.91 0.05 -0.77 0.42 116.94 118.27 3hav h PHE 143 Ca 0.00 -0.01 -0.07 0.00 3.82 0.00 0.00 57.97 61.72 3hav h PHE 143 Cb 0.02 0.09 -0.01 0.00 2.00 0.00 0.00 35.95 38.05 3hav h PHE 143 CO 0.00 0.06 -0.31 -0.07 -0.18 0.00 0.00 178.31 177.80 3hav h LEU 144 N -0.64 0.00 -0.74 1.54 3.38 -0.53 -0.65 115.31 117.67 3hav h LEU 144 Ca -0.03 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.82 3hav h LEU 144 Cb 0.46 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.19 3hav h LEU 144 CO 0.05 0.31 -0.59 1.56 0.09 0.00 0.00 178.44 179.87 3hav h GLN 145 N 0.00 0.00 0.00 1.13 4.20 0.31 -1.75 115.11 119.00 3hav h GLN 145 Ca -0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 3hav h GLN 145 Cb 0.71 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.49 3hav h GLN 145 CO 0.04 0.59 0.00 -0.44 -0.67 0.00 0.00 178.83 178.35 3hav h ASP 146 N 0.00 0.00 0.76 1.46 5.19 0.73 -3.03 116.42 121.52 3hav h ASP 146 Ca -0.01 0.00 -0.25 0.00 -0.62 0.00 0.00 57.03 56.15 3hav h ASP 146 Cb 1.10 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 40.60 3hav h ASP 146 CO 0.08 0.00 -1.16 0.50 -3.12 0.00 0.00 179.24 175.53 3hav h LYS 147 N 0.00 0.18 0.01 3.56 3.64 -0.35 -1.76 116.57 121.85 3hav h LYS 147 Ca 0.00 -0.30 -0.20 0.00 -1.27 0.00 0.00 60.65 58.88 3hav h LYS 147 Cb 0.76 0.11 -0.02 0.00 -0.41 0.00 0.00 32.23 32.68 3hav h LYS 147 CO 0.00 1.14 -0.92 -0.22 -2.27 0.00 0.00 179.45 177.19 3hav h LYS 148 N 0.05 0.10 0.00 1.90 3.11 -1.34 0.14 116.57 120.54 3hav h LYS 148 Ca -0.09 -0.13 -0.20 0.00 -2.81 0.00 0.00 60.65 57.42 3hav h LYS 148 Cb 1.90 0.04 -0.03 0.00 -1.00 0.00 0.00 32.23 33.15 3hav h LYS 148 CO 0.18 0.94 -0.99 1.25 -2.81 0.00 0.00 179.45 178.02 3hav h LEU 149 N 0.05 0.00 -0.02 5.20 6.46 -1.61 -3.11 115.31 122.28 3hav h LEU 149 Ca -0.03 0.00 -0.09 0.00 -0.12 0.00 0.00 57.88 57.63 3hav h LEU 149 Cb 1.58 0.00 0.01 0.00 -0.73 0.00 0.00 40.66 41.52 3hav h LEU 149 CO 0.13 0.88 -0.36 0.25 -0.62 0.00 0.00 178.44 178.72 3hav h LEU 150 N 0.00 0.35 -1.46 2.25 5.85 -1.25 -1.05 115.31 119.99 3hav h LEU 150 Ca -0.04 -0.74 -0.02 0.00 0.84 0.00 0.00 57.88 57.92 3hav h LEU 150 Cb 1.71 -0.10 -0.02 0.00 0.37 0.00 0.00 40.66 42.61 3hav h LEU 150 CO 0.11 1.03 0.16 -0.29 -0.34 0.00 0.00 178.44 179.11 3hav h ILE 151 N -0.31 1.14 0.04 4.05 6.09 -1.08 -2.31 117.51 125.13 3hav h ILE 151 Ca -0.04 -0.42 -0.09 0.00 -1.37 0.00 0.00 64.86 62.94 3hav h ILE 151 Cb 1.07 0.68 -0.00 0.00 0.47 0.00 0.00 36.82 39.05 3hav h ILE 151 CO 0.07 0.16 -0.43 0.77 -3.07 0.00 0.00 178.15 175.65 3hav h SER 152 N 0.52 0.12 -0.34 2.19 4.64 -1.60 -3.34 113.55 115.76 3hav h SER 152 Ca 0.13 -0.92 0.10 0.00 -0.47 0.00 0.00 61.79 60.63 3hav h SER 152 Cb 0.09 -0.04 -0.01 0.00 -0.31 0.00 0.00 62.40 62.12 3hav h SER 152 CO -0.02 1.19 0.27 0.40 -0.87 0.00 0.00 176.83 177.80 3hav h ILE 153 N -0.82 0.71 0.00 0.95 2.04 -1.10 0.49 117.51 119.78 3hav h ILE 153 Ca -0.10 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.76 3hav h ILE 153 Cb 1.23 0.81 0.00 0.00 -0.74 0.00 0.00 36.82 38.11 3hav h ILE 153 CO 0.01 0.00 0.00 0.18 0.00 0.00 0.00 178.15 178.34 3hav n LEU 154 N -4.24 0.61 0.00 1.44 4.77 -0.88 -3.10 117.00 115.60 3hav n LEU 154 Ca 0.05 0.74 0.00 0.00 -0.03 0.00 0.00 56.01 56.78 3hav n LEU 154 Cb 0.44 -0.77 0.00 0.00 -2.33 0.00 0.00 43.42 40.76 3hav n LEU 154 CO 0.34 -0.86 -0.31 1.21 -1.33 0.00 0.00 177.39 176.44 3hav n GLU 155 N -2.28 2.38 0.18 3.23 2.13 0.10 -4.36 120.64 122.03 3hav n GLU 155 Ca -0.00 0.00 0.09 0.00 0.66 0.00 0.00 57.16 57.90 3hav n GLU 155 Cb 0.09 -0.81 0.46 0.00 0.27 0.00 0.00 31.44 31.45 3hav n GLU 155 CO 0.00 0.00 0.00 -0.22 -0.41 0.00 0.00 177.13 176.50 3hav h LYS 156 N 0.00 0.00 0.00 5.31 3.64 -0.06 -3.26 116.57 122.20 3hav h LYS 156 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 3hav h LYS 156 Cb 0.30 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.12 3hav h LYS 156 CO 0.00 0.00 -0.29 -1.91 -2.27 0.00 0.00 179.45 174.98 3hav n GLU 157 N -2.18 0.00 -1.53 1.90 2.13 -1.26 -5.05 120.64 114.65 3hav n GLU 157 Ca -0.01 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.81 3hav n GLU 157 Cb 0.25 -0.18 0.00 0.00 0.27 0.00 0.00 31.44 31.78 3hav n GLU 157 CO 0.00 0.00 0.00 1.04 -0.41 0.00 0.00 177.13 177.76 3hav n GLN 158 N -2.82 0.00 -2.86 5.31 1.13 -1.23 -5.07 117.38 111.84 3hav n GLN 158 Ca 0.00 0.00 -0.05 0.00 -1.94 0.00 0.00 57.00 55.01 3hav n GLN 158 Cb 0.15 0.00 0.01 0.00 0.11 0.00 0.00 30.24 30.50 3hav n GLN 158 CO 0.00 0.00 0.00 -0.11 -1.44 0.00 0.00 177.06 175.51 3hav n LEU 159 N 0.00 -7.22 -2.67 1.08 0.00 -1.26 -3.75 117.00 103.17 3hav n LEU 159 Ca 0.00 0.95 -0.36 0.00 0.00 0.00 0.00 56.01 56.60 3hav n LEU 159 Cb 0.00 -3.09 0.04 0.00 0.00 0.00 0.00 43.42 40.37 3hav n LEU 159 CO 0.00 -2.58 1.52 -0.11 0.00 0.00 0.00 177.39 176.22 3hav n LEU 160 N 0.39 7.42 -4.89 -1.96 7.94 -1.26 -4.33 117.00 120.32 3hav n LEU 160 Ca 0.03 -4.55 -0.29 0.00 -1.11 0.00 0.00 56.01 50.10 3hav n LEU 160 Cb 0.24 -1.06 -0.02 0.00 0.53 0.00 0.00 43.42 43.11 3hav n LEU 160 CO 0.42 1.66 0.46 -0.89 -1.11 0.00 0.00 177.39 177.93 3hav s THR 161 N -4.59 4.83 -0.20 1.96 2.01 -1.26 -5.01 115.64 113.39 3hav s THR 161 Ca 0.55 0.45 0.13 0.00 0.31 0.00 0.00 61.69 63.14 3hav s THR 161 Cb 0.44 -3.80 0.41 0.00 0.01 0.00 0.00 72.50 69.56 3hav s THR 161 CO -0.27 -0.71 1.26 0.47 -0.69 0.00 0.00 174.62 174.68 3hav n ASP 162 N -1.82 2.22 -0.06 3.53 10.43 -1.26 -4.78 116.55 124.81 3hav n ASP 162 Ca 0.02 -3.57 -0.09 0.00 2.57 0.00 0.00 54.79 53.72 3hav n ASP 162 Cb 0.54 -0.52 -0.03 0.00 1.84 0.00 0.00 41.12 42.95 3hav n ASP 162 CO 0.00 0.00 0.00 -0.62 -1.07 0.00 0.00 177.20 175.51 3hav n GLU 163 N -1.16 0.40 0.08 -1.24 -0.58 -1.26 -4.61 120.64 112.27 3hav n GLU 163 Ca 0.21 0.16 0.07 0.00 -0.42 0.00 0.00 57.16 57.19 3hav n GLU 163 Cb 0.76 -1.20 0.35 0.00 -0.57 0.00 0.00 31.44 30.77 3hav n GLU 163 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3hav n MET 164 N -4.17 0.08 -3.14 3.49 0.00 -1.26 -3.69 117.12 108.43 3hav n MET 164 Ca -0.15 0.47 -0.39 0.00 0.00 0.00 0.00 57.70 57.63 3hav n MET 164 Cb 0.45 -1.72 -0.05 0.00 0.00 0.00 0.00 33.22 31.90 3hav n MET 164 CO 0.00 0.00 0.00 -0.48 0.00 0.00 0.00 175.97 175.49 3hav s LEU 165 N -3.77 4.42 0.00 3.17 -0.00 -1.26 0.30 118.68 121.53 3hav s LEU 165 Ca 0.02 1.24 0.00 0.00 -0.00 0.00 0.00 54.13 55.38 3hav s LEU 165 Cb 0.06 -3.01 0.00 0.00 -0.00 0.00 0.00 46.19 43.24 3hav s LEU 165 CO 0.20 0.07 0.00 -0.62 -0.00 0.00 0.00 176.35 176.00 3hav n GLU 166 N 2.78 0.00 -0.13 1.48 1.02 -1.26 -4.78 120.64 119.74 3hav n GLU 166 Ca -0.06 0.00 -0.23 0.00 -0.02 0.00 0.00 57.16 56.85 3hav n GLU 166 Cb 0.51 -0.60 -0.11 0.00 -0.02 0.00 0.00 31.44 31.22 3hav n GLU 166 CO 0.00 0.00 0.00 1.58 1.18 0.00 0.00 177.13 179.89 3hav n HIS 167 N -2.00 0.00 0.26 -0.32 -0.00 -1.05 -3.93 115.22 108.18 3hav n HIS 167 Ca 0.00 0.00 0.15 0.00 0.46 0.00 0.00 57.72 58.33 3hav n HIS 167 Cb 0.00 -0.98 0.64 0.00 -0.12 0.00 0.00 29.99 29.54 3hav n HIS 167 CO 0.00 0.00 0.00 -0.84 0.46 0.00 0.00 176.34 175.96 3hav h ILE 168 N -0.45 0.21 0.00 3.57 3.07 -0.46 0.59 117.51 124.03 3hav h ILE 168 Ca -0.63 -0.67 -0.05 0.00 1.55 0.00 0.00 64.86 65.06 3hav h ILE 168 Cb 1.75 1.55 -0.01 0.00 -0.27 0.00 0.00 36.82 39.85 3hav h ILE 168 CO -0.24 0.07 -0.25 -0.08 -1.05 0.00 0.00 178.15 176.60 3hav h GLU 169 N 0.00 0.00 0.04 0.16 4.81 -1.80 -2.65 114.58 115.14 3hav h GLU 169 Ca -0.00 0.00 -0.26 0.00 -0.13 0.00 0.00 59.36 58.97 3hav h GLU 169 Cb 0.55 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 29.90 3hav h GLU 169 CO 0.01 0.25 -1.31 1.15 -0.73 0.00 0.00 179.01 178.38 3hav h THR 170 N 0.00 1.36 -0.07 0.32 2.02 -1.06 -2.70 112.91 112.78 3hav h THR 170 Ca -0.00 -3.08 0.04 0.00 0.77 0.00 0.00 66.41 64.13 3hav h THR 170 Cb 0.48 2.73 -0.04 0.00 -1.74 0.00 0.00 68.15 69.58 3hav h THR 170 CO 0.03 0.82 -0.19 0.40 0.37 0.00 0.00 175.52 176.95 3hav h ILE 171 N 0.02 0.53 0.01 3.11 5.03 -0.87 -2.60 117.51 122.75 3hav h ILE 171 Ca -0.14 0.00 -0.20 0.00 -0.12 0.00 0.00 64.86 64.41 3hav h ILE 171 Cb 1.90 0.53 -0.02 0.00 -3.03 0.00 0.00 36.82 36.20 3hav h ILE 171 CO 0.13 0.00 -0.91 1.88 -0.68 0.00 0.00 178.15 178.57 3hav h TYR 172 N -0.27 0.09 -0.19 1.37 -1.99 -1.61 -2.73 116.97 111.64 3hav h TYR 172 Ca 0.08 -0.06 0.05 0.00 2.00 0.00 0.00 58.73 60.80 3hav h TYR 172 Cb 0.38 -0.01 -0.06 0.00 2.00 0.00 0.00 36.73 39.05 3hav h TYR 172 CO -0.27 0.93 -0.19 1.49 -0.00 0.00 0.00 178.16 180.12 3hav h GLU 173 N 0.03 -0.21 -0.69 4.88 4.81 -1.38 0.22 114.58 122.24 3hav h GLU 173 Ca -0.02 0.01 0.02 0.00 -0.13 0.00 0.00 59.36 59.24 3hav h GLU 173 Cb 1.59 0.05 -0.04 0.00 0.63 0.00 0.00 28.75 30.98 3hav h GLU 173 CO 0.13 -0.14 0.46 -0.91 -0.73 0.00 0.00 179.01 177.82 3hav h ASN 174 N -0.22 0.76 0.63 1.04 2.35 -1.45 -2.87 115.58 115.83 3hav h ASN 174 Ca 0.12 -0.02 -0.03 0.00 -0.55 0.00 0.00 56.30 55.82 3hav h ASN 174 Cb 0.40 -0.19 0.01 0.00 0.05 0.00 0.00 38.32 38.59 3hav h ASN 174 CO -0.32 0.54 -0.30 0.40 -1.65 0.00 0.00 177.43 176.10 3hav h ILE 175 N 0.90 0.02 0.00 2.81 2.04 -0.80 -3.05 117.51 119.42 3hav h ILE 175 Ca 0.26 -0.38 0.00 0.00 1.00 0.00 0.00 64.86 65.74 3hav h ILE 175 Cb -0.04 0.02 0.00 0.00 -0.74 0.00 0.00 36.82 36.07 3hav h ILE 175 CO -0.06 0.00 0.00 0.18 0.00 0.00 0.00 178.15 178.27 3hav n LEU 176 N -5.34 0.00 -0.40 1.44 4.32 0.63 -1.27 117.00 116.38 3hav n LEU 176 Ca -0.11 0.34 0.13 0.00 -0.02 0.00 0.00 56.01 56.35 3hav n LEU 176 Cb 0.34 -0.34 0.35 0.00 -1.62 0.00 0.00 43.42 42.15 3hav n LEU 176 CO 0.26 -0.30 0.67 -3.20 -1.22 0.00 0.00 177.39 173.59 3hav n ASN 177 N -1.34 1.43 -4.55 -1.43 2.85 -1.09 -4.83 115.26 106.31 3hav n ASN 177 Ca 0.01 -1.22 -0.43 0.00 -0.11 0.00 0.00 54.58 52.83 3hav n ASN 177 Cb 0.03 0.13 -0.05 0.00 1.24 0.00 0.00 39.78 41.13 3hav n ASN 177 CO 0.00 0.00 0.00 0.20 -2.11 0.00 0.00 177.26 175.35 3hav s ASN 178 N -2.32 6.43 0.09 1.20 0.02 -0.40 -4.94 114.94 115.02 3hav s ASN 178 Ca 0.28 -0.07 -0.22 0.00 -1.02 0.00 0.00 52.86 51.82 3hav s ASN 178 Cb 0.20 -2.41 -0.13 0.00 0.02 0.00 0.00 41.25 38.92 3hav s ASN 178 CO 0.46 -1.00 1.71 0.00 0.02 0.00 0.00 177.10 178.29 3hav h ALA 179 N 9.06 0.08 0.00 0.60 0.00 -1.89 -2.25 119.26 124.85 3hav h ALA 179 Ca -0.25 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.64 3hav h ALA 179 Cb 1.08 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.85 3hav h ALA 179 CO 1.00 -0.41 0.00 1.33 0.00 0.00 0.00 179.25 181.17 3hav n VAL 180 N -5.02 0.91 0.67 0.00 0.24 -1.26 -2.79 118.33 111.08 3hav n VAL 180 Ca -0.06 0.36 0.10 0.00 -2.04 0.00 0.00 64.34 62.70 3hav n VAL 180 Cb 0.05 -1.30 0.44 0.00 -1.47 0.00 0.00 33.84 31.56 3hav n VAL 180 CO 0.00 0.00 0.00 -0.11 -2.14 0.00 0.00 176.83 174.58 3hav n LEU 181 N -2.20 0.14 0.00 1.34 7.94 -0.85 -4.01 117.00 119.36 3hav n LEU 181 Ca 0.01 0.52 0.00 0.00 -1.11 0.00 0.00 56.01 55.44 3hav n LEU 181 Cb 0.17 -0.49 0.00 0.00 0.53 0.00 0.00 43.42 43.63 3hav n LEU 181 CO 0.17 -0.19 -0.15 0.49 -1.11 0.00 0.00 177.39 176.60 3hav n PHE 182 N -1.64 0.00 -2.40 1.96 3.01 -1.13 -4.96 117.46 112.30 3hav n PHE 182 Ca 0.05 0.00 -0.37 0.00 1.01 0.00 0.00 57.45 58.14 3hav n PHE 182 Cb 0.26 0.00 -0.03 0.00 -0.01 0.00 0.00 39.48 39.70 3hav n PHE 182 CO 0.00 0.00 0.00 0.15 1.01 0.00 0.00 176.76 177.92 3hav s LYS 183 N -1.18 3.37 0.19 -1.08 1.02 -1.12 -4.89 119.74 116.06 3hav s LYS 183 Ca 0.00 -1.34 -0.09 0.00 0.02 0.00 0.00 55.97 54.57 3hav s LYS 183 Cb 0.00 -5.36 -0.01 0.00 -0.52 0.00 0.00 37.83 31.94 3hav s LYS 183 CO 0.00 -2.74 0.31 1.52 -0.92 0.00 0.00 175.35 173.52 3hav s TYR 184 N 6.62 0.53 -0.24 3.18 -0.85 -1.26 -4.93 117.35 120.39 3hav s TYR 184 Ca 0.57 -0.86 -0.10 0.00 -0.52 0.00 0.00 57.07 56.15 3hav s TYR 184 Cb 0.00 -0.08 -0.05 0.00 0.38 0.00 0.00 41.96 42.22 3hav s TYR 184 CO 0.03 -0.78 0.16 0.99 -1.52 0.00 0.00 175.55 174.42 3hav s THR 185 N -4.02 5.29 0.75 -3.49 2.01 -1.26 -5.04 115.64 109.89 3hav s THR 185 Ca 0.23 0.16 -0.14 0.00 0.31 0.00 0.00 61.69 62.25 3hav s THR 185 Cb 0.03 -3.47 0.05 0.00 0.01 0.00 0.00 72.50 69.12 3hav s THR 185 CO 0.05 0.34 1.16 -2.84 -0.69 0.00 0.00 174.62 172.63 3hav s PRO 186 N 1.12 2.14 -0.01 4.92 0.02 -1.26 -4.42 135.00 137.50 3hav s PRO 186 Ca 0.07 1.55 -0.30 0.00 0.02 0.00 0.00 61.00 62.34 3hav s PRO 186 Cb -0.14 -1.85 0.12 0.00 0.02 0.00 0.00 34.50 32.64 3hav s PRO 186 CO 0.05 -1.79 1.28 0.00 -0.33 0.00 0.00 177.00 176.21 3hav s LEU 188 N -3.12 4.02 -0.11 0.00 2.96 -1.26 -1.88 118.68 119.29 3hav s LEU 188 Ca 0.17 1.71 0.03 0.00 -0.22 0.00 0.00 54.13 55.81 3hav s LEU 188 Cb 0.04 -3.53 -0.01 0.00 0.50 0.00 0.00 46.19 43.19 3hav s LEU 188 CO -0.03 -1.09 -0.20 0.68 -1.32 0.00 0.00 176.35 174.38 3hav s VAL 189 N 4.61 2.40 0.17 1.68 -7.23 -0.80 -4.21 120.40 117.02 3hav s VAL 189 Ca 0.67 -0.90 -0.14 0.00 -1.81 0.00 0.00 61.98 59.81 3hav s VAL 189 Cb -0.25 -1.95 0.05 0.00 0.56 0.00 0.00 36.38 34.79 3hav s VAL 189 CO 0.26 0.55 1.78 -0.74 -0.31 0.00 0.00 175.10 176.64 3hav h HIS 190 N 6.72 0.41 0.00 2.82 2.76 -1.93 -2.73 115.15 123.19 3hav h HIS 190 Ca -0.21 0.02 0.00 0.00 -2.20 0.00 0.00 60.37 57.97 3hav h HIS 190 Cb 1.23 -0.12 0.00 0.00 1.55 0.00 0.00 27.41 30.07 3hav h HIS 190 CO 0.48 0.21 0.00 -1.71 -1.30 0.00 0.00 177.93 175.61 3hav n ASN 191 N -4.91 0.00 -2.65 3.26 5.15 -1.26 -2.99 115.26 111.87 3hav n ASN 191 Ca 0.03 0.00 -0.10 0.00 -0.60 0.00 0.00 54.58 53.91 3hav n ASN 191 Cb 0.12 0.00 0.03 0.00 -0.53 0.00 0.00 39.78 39.39 3hav n ASN 191 CO 0.00 0.00 0.00 -0.67 1.40 0.00 0.00 177.26 177.99 3hav n ASP 192 N 0.00 1.91 -4.57 1.20 -0.08 -1.26 -4.94 116.55 108.81 3hav n ASP 192 Ca 0.00 -2.76 -0.35 0.00 -1.51 0.00 0.00 54.79 50.16 3hav n ASP 192 Cb 0.00 -0.51 -0.03 0.00 2.34 0.00 0.00 41.12 42.92 3hav n ASP 192 CO 0.00 0.00 0.00 0.12 0.12 0.00 0.00 177.20 177.44 3hav s PHE 193 N -3.27 2.31 0.24 -0.67 5.36 -1.26 -4.74 117.98 115.95 3hav s PHE 193 Ca 0.30 -0.45 0.06 0.00 -0.96 0.00 0.00 56.93 55.88 3hav s PHE 193 Cb 0.43 -4.41 -0.05 0.00 -0.34 0.00 0.00 43.02 38.65 3hav s PHE 193 CO 0.00 -1.68 -0.08 -1.12 -1.46 0.00 0.00 175.22 170.88 3hav s SER 194 N 5.76 2.45 0.61 6.13 0.01 -1.26 -4.41 113.70 122.99 3hav s SER 194 Ca 0.59 -1.13 0.32 0.00 1.31 0.00 0.00 55.95 57.04 3hav s SER 194 Cb -0.00 -0.11 1.85 0.00 0.21 0.00 0.00 66.02 67.96 3hav s SER 194 CO 0.03 -0.32 2.19 0.00 0.41 0.00 0.00 173.24 175.55 3hav h ALA 195 N 2.45 1.54 0.00 1.44 0.00 -1.94 -0.52 119.26 122.23 3hav h ALA 195 Ca -0.39 -0.00 -0.08 0.00 0.00 0.00 0.00 54.91 54.44 3hav h ALA 195 Cb 1.22 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 19.01 3hav h ALA 195 CO 0.65 -0.14 -0.37 -0.91 0.00 0.00 0.00 179.25 178.48 3hav h ASN 196 N 0.00 0.00 -0.58 0.00 4.21 -1.94 -2.89 115.58 114.38 3hav h ASN 196 Ca 0.03 0.00 -0.07 0.00 1.21 0.00 0.00 56.30 57.47 3hav h ASN 196 Cb 0.24 0.00 -0.04 0.00 -1.12 0.00 0.00 38.32 37.39 3hav h ASN 196 CO -0.00 0.37 0.08 0.59 -1.29 0.00 0.00 177.43 177.18 3hav n ASN 197 N -3.60 5.16 -4.34 5.81 3.02 -0.21 -4.94 115.26 116.16 3hav n ASN 197 Ca -0.01 -3.06 -0.26 0.00 -0.03 0.00 0.00 54.58 51.23 3hav n ASN 197 Cb 0.49 -0.69 -0.12 0.00 -0.61 0.00 0.00 39.78 38.84 3hav n ASN 197 CO 0.00 0.00 0.00 -0.04 -2.62 0.00 0.00 177.26 174.60 3hav s MET 198 N -2.87 1.27 -0.08 3.52 -1.94 -1.09 -1.65 119.30 116.45 3hav s MET 198 Ca 0.53 -1.29 0.04 0.00 -1.71 0.00 0.00 55.69 53.26 3hav s MET 198 Cb 0.42 -1.59 -0.01 0.00 2.01 0.00 0.00 34.83 35.66 3hav s MET 198 CO 0.14 0.36 -0.21 0.42 -0.01 0.00 0.00 175.02 175.72 3hav s ILE 199 N -1.29 2.37 0.16 2.53 -1.09 0.20 -4.92 121.20 119.16 3hav s ILE 199 Ca 0.11 -0.94 0.11 0.00 -2.23 0.00 0.00 60.65 57.71 3hav s ILE 199 Cb -0.09 -1.91 -0.04 0.00 -1.58 0.00 0.00 42.46 38.84 3hav s ILE 199 CO 0.06 0.56 -0.24 -0.36 -1.23 0.00 0.00 174.94 173.73 3hav s PHE 200 N -0.02 2.22 -0.02 3.97 0.40 -1.22 0.38 117.98 123.70 3hav s PHE 200 Ca -0.07 -0.38 0.00 0.00 -0.60 0.00 0.00 56.93 55.89 3hav s PHE 200 Cb -0.15 -1.14 0.02 0.00 0.51 0.00 0.00 43.02 42.26 3hav s PHE 200 CO 0.05 0.41 0.00 1.03 0.70 0.00 0.00 175.22 177.41 3hav s ARG 201 N -2.43 0.18 -1.44 0.44 0.52 0.05 -1.20 118.95 115.08 3hav s ARG 201 Ca 0.17 0.07 -0.01 0.00 -0.52 0.00 0.00 55.73 55.44 3hav s ARG 201 Cb -0.09 -0.34 0.00 0.00 0.52 0.00 0.00 34.95 35.04 3hav s ARG 201 CO 0.08 -0.10 0.30 0.09 0.02 0.00 0.00 175.30 175.69 3hav n ASN 202 N 3.88 -0.09 -0.76 0.23 4.13 -1.26 -1.18 115.26 120.22 3hav n ASN 202 Ca -0.24 -1.09 -0.10 0.00 1.68 0.00 0.00 54.58 54.83 3hav n ASN 202 Cb 0.52 -2.60 -0.04 0.00 -1.54 0.00 0.00 39.78 36.12 3hav n ASN 202 CO 0.00 0.00 0.00 0.59 0.28 0.00 0.00 177.26 178.13 3hav n ASN 203 N -2.94 -5.08 -4.15 6.41 3.02 -1.26 -4.97 115.26 106.29 3hav n ASN 203 Ca -0.31 0.24 -0.22 0.00 -0.03 0.00 0.00 54.58 54.26 3hav n ASN 203 Cb 0.69 -3.45 -0.14 0.00 -0.61 0.00 0.00 39.78 36.27 3hav n ASN 203 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 3hav s ARG 204 N -2.65 1.11 0.18 3.52 1.81 -0.32 -4.55 118.95 118.04 3hav s ARG 204 Ca 0.00 -0.68 -0.33 0.00 -1.72 0.00 0.00 55.73 53.00 3hav s ARG 204 Cb 0.00 -1.11 -0.13 0.00 -0.45 0.00 0.00 34.95 33.26 3hav s ARG 204 CO 0.00 0.29 1.65 -0.11 -0.68 0.00 0.00 175.30 176.46 3hav n LEU 205 N 2.25 3.53 -0.06 2.53 7.94 -1.26 -0.77 117.00 131.17 3hav n LEU 205 Ca -0.16 1.07 -0.11 0.00 -1.11 0.00 0.00 56.01 55.70 3hav n LEU 205 Cb 0.55 -1.50 -0.05 0.00 0.53 0.00 0.00 43.42 42.95 3hav n LEU 205 CO 0.24 -0.06 -0.92 0.33 -1.11 0.00 0.00 177.39 175.86 3hav n PHE 206 N 3.76 0.00 -3.92 1.96 7.35 0.16 -4.80 117.46 121.97 3hav n PHE 206 Ca 0.17 0.00 -0.09 0.00 -0.76 0.00 0.00 57.45 56.76 3hav n PHE 206 Cb 0.32 -0.47 -0.06 0.00 0.35 0.00 0.00 39.48 39.62 3hav n PHE 206 CO 0.00 0.00 0.00 0.20 -0.76 0.00 0.00 176.76 176.20 3hav s GLY 207 N -5.21 0.36 -0.06 7.13 0.00 -0.83 -2.21 107.32 106.50 3hav s GLY 207 Ca -0.17 -0.73 0.02 0.00 0.00 0.00 0.00 44.72 43.84 3hav s GLY 207 CO 0.26 -0.65 -0.09 0.14 0.00 0.00 0.00 173.10 172.75 3hav s VAL 208 N -3.96 0.94 0.50 1.40 1.01 0.24 -0.63 120.40 119.89 3hav s VAL 208 Ca 0.17 -0.35 0.02 0.00 0.00 0.00 0.00 61.98 61.82 3hav s VAL 208 Cb 0.01 -0.89 -0.01 0.00 0.00 0.00 0.00 36.38 35.49 3hav s VAL 208 CO 0.02 0.32 0.02 0.27 0.00 0.00 0.00 175.10 175.73 3hav s ILE 209 N 0.86 1.07 -0.65 2.22 -4.36 -0.66 -3.99 121.20 115.69 3hav s ILE 209 Ca -0.11 -2.00 -0.05 0.00 -0.26 0.00 0.00 60.65 58.23 3hav s ILE 209 Cb -0.15 -2.19 0.01 0.00 1.25 0.00 0.00 42.46 41.38 3hav s ILE 209 CO 0.01 0.00 0.67 0.47 0.24 0.00 0.00 174.94 176.33 3hav n ASP 210 N -1.28 -7.74 -1.26 4.36 10.43 -1.26 -4.81 116.55 115.00 3hav n ASP 210 Ca -0.17 0.08 0.07 0.00 2.57 0.00 0.00 54.79 57.33 3hav n ASP 210 Cb 0.67 -5.19 0.27 0.00 1.84 0.00 0.00 41.12 38.70 3hav n ASP 210 CO 0.00 0.00 0.00 0.49 -1.07 0.00 0.00 177.20 176.62 3hav n PHE 211 N -1.36 1.12 0.29 1.24 3.72 -1.26 -4.58 117.46 116.63 3hav n PHE 211 Ca 0.02 -0.44 0.18 0.00 -0.05 0.00 0.00 57.45 57.16 3hav n PHE 211 Cb 0.50 -0.20 0.90 0.00 -0.94 0.00 0.00 39.48 39.74 3hav n PHE 211 CO 0.00 0.00 0.00 0.78 -0.05 0.00 0.00 176.76 177.49 3hav h GLY 212 N 4.56 0.00 -1.91 1.37 0.00 -1.91 0.62 103.07 105.80 3hav h GLY 212 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3hav h GLY 212 CO 0.18 0.00 0.00 1.22 0.00 0.00 0.00 176.54 177.94 3hav n ASP 213 N -3.18 4.08 -4.71 0.19 9.92 -1.26 -4.88 116.55 116.71 3hav n ASP 213 Ca -0.01 -2.85 -0.30 0.00 -0.53 0.00 0.00 54.79 51.10 3hav n ASP 213 Cb 0.33 -0.53 0.14 0.00 -0.64 0.00 0.00 41.12 40.42 3hav n ASP 213 CO 0.00 0.00 0.00 0.72 0.13 0.00 0.00 177.20 178.05 3hav s PHE 214 N -2.55 2.24 0.02 1.24 -0.71 0.21 -4.61 117.98 113.81 3hav s PHE 214 Ca 0.42 1.36 -0.01 0.00 -1.04 0.00 0.00 56.93 57.65 3hav s PHE 214 Cb 0.33 -3.15 0.01 0.00 -1.21 0.00 0.00 43.02 38.99 3hav s PHE 214 CO 0.11 -2.42 0.07 0.27 -1.34 0.00 0.00 175.22 171.91 3hav n ASN 215 N -3.92 -0.14 -4.04 1.98 0.23 -1.03 -5.02 115.26 103.32 3hav n ASN 215 Ca 0.08 -1.08 -0.31 0.00 -0.53 0.00 0.00 54.58 52.73 3hav n ASN 215 Cb 0.54 0.23 -0.15 0.00 -2.08 0.00 0.00 39.78 38.32 3hav n ASN 215 CO 0.00 0.00 0.00 -0.69 -0.93 0.00 0.00 177.26 175.64 3hav s VAL 216 N -2.66 2.22 0.00 3.53 1.01 0.15 -1.91 120.40 122.74 3hav s VAL 216 Ca 0.02 -1.98 0.00 0.00 0.00 0.00 0.00 61.98 60.01 3hav s VAL 216 Cb -0.00 -2.48 0.00 0.00 0.00 0.00 0.00 36.38 33.90 3hav s VAL 216 CO 0.01 -0.31 0.00 0.61 0.00 0.00 0.00 175.10 175.41 3hav n GLY 217 N 4.34 2.67 3.66 4.51 0.00 -0.79 -2.65 105.19 116.93 3hav n GLY 217 Ca -0.05 -0.03 -0.43 0.00 0.00 0.00 0.00 46.02 45.51 3hav n GLY 217 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3hav s ASP 218 N 2.00 6.80 0.55 1.61 3.68 -1.26 -1.37 116.67 128.68 3hav s ASP 218 Ca 0.00 1.84 0.24 0.00 2.13 0.00 0.00 52.55 56.77 3hav s ASP 218 Cb 0.00 -2.54 1.45 0.00 -1.45 0.00 0.00 42.92 40.38 3hav s ASP 218 CO 0.00 -0.86 2.06 1.55 0.13 0.00 0.00 175.17 178.04 3hav h PRO 219 N 8.87 0.00 0.00 4.34 0.13 -1.87 -1.75 132.00 141.72 3hav h PRO 219 Ca -0.31 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.82 3hav h PRO 219 Cb 1.13 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.26 3hav h PRO 219 CO 0.97 0.00 0.00 -0.44 -0.23 0.00 0.00 178.00 178.30 3hav h ASP 220 N 0.00 0.00 0.28 1.44 3.32 -1.95 -2.06 116.42 117.45 3hav h ASP 220 Ca 0.15 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.20 3hav h ASP 220 Cb 0.65 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.20 3hav h ASP 220 CO -0.00 0.00 0.00 0.78 -1.72 0.00 0.00 179.24 178.30 3hav h ASN 221 N 0.00 0.00 -0.01 6.45 4.21 -1.72 -2.34 115.58 122.17 3hav h ASN 221 Ca 0.00 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.51 3hav h ASN 221 Cb 0.16 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.36 3hav h ASN 221 CO 0.00 0.00 0.00 0.47 -1.29 0.00 0.00 177.43 176.61 3hav n ASP 222 N -3.07 1.19 -0.00 5.81 10.43 -0.77 -3.35 116.55 126.78 3hav n ASP 222 Ca -0.02 -1.40 0.09 0.00 2.57 0.00 0.00 54.79 56.03 3hav n ASP 222 Cb 0.14 -0.00 -0.12 0.00 1.84 0.00 0.00 41.12 42.97 3hav n ASP 222 CO 0.00 0.00 0.00 0.49 -1.07 0.00 0.00 177.20 176.62 3hav n PHE 223 N -0.07 0.00 -0.07 1.24 3.01 -0.88 -4.68 117.46 116.01 3hav n PHE 223 Ca 0.20 0.00 -0.11 0.00 1.01 0.00 0.00 57.45 58.55 3hav n PHE 223 Cb 0.30 -0.14 -0.06 0.00 -0.01 0.00 0.00 39.48 39.58 3hav n PHE 223 CO 0.00 0.00 0.00 -0.07 1.01 0.00 0.00 176.76 177.70 3hav h LEU 224 N 0.00 -1.41 -0.56 4.37 3.38 -1.63 0.44 115.31 119.90 3hav h LEU 224 Ca 0.00 0.20 -0.00 0.00 0.09 0.00 0.00 57.88 58.17 3hav h LEU 224 Cb 0.57 0.59 -0.03 0.00 0.09 0.00 0.00 40.66 41.89 3hav h LEU 224 CO 0.00 -0.40 0.34 0.00 0.09 0.00 0.00 178.44 178.47 3hav h LEU 226 N 0.76 0.00 -1.84 0.00 3.38 -1.50 -2.96 115.31 113.14 3hav h LEU 226 Ca 0.20 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.17 3hav h LEU 226 Cb -0.03 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.72 3hav h LEU 226 CO -0.04 0.03 0.00 0.18 0.09 0.00 0.00 178.44 178.70 3hav n LEU 227 N -3.31 1.33 -4.37 1.67 4.77 0.05 -3.32 117.00 113.81 3hav n LEU 227 Ca -0.02 -1.33 -0.32 0.00 -0.03 0.00 0.00 56.01 54.31 3hav n LEU 227 Cb 0.17 0.00 0.16 0.00 -2.33 0.00 0.00 43.42 41.41 3hav n LEU 227 CO 0.25 0.33 -0.21 -0.90 -1.33 0.00 0.00 177.39 175.53 3hav n ASP 228 N -0.22 -2.08 -0.14 -1.43 5.75 0.25 -4.69 116.55 113.98 3hav n ASP 228 Ca 0.00 0.09 0.09 0.00 -0.01 0.00 0.00 54.79 54.97 3hav n ASP 228 Cb 0.16 -1.11 0.18 0.00 -1.03 0.00 0.00 41.12 39.31 3hav n ASP 228 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3hav n SER 230 N -4.24 0.00 0.00 0.00 3.41 -1.26 -4.89 113.62 106.64 3hav n SER 230 Ca 0.13 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.74 3hav n SER 230 Cb 0.42 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.37 3hav n SER 230 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 3hav n THR 231 N -1.95 0.00 -1.32 6.66 -2.24 -1.26 -5.01 114.28 109.15 3hav n THR 231 Ca 0.00 0.00 -0.23 0.00 -2.27 0.00 0.00 64.05 61.55 3hav n THR 231 Cb 0.00 0.00 0.15 0.00 -2.10 0.00 0.00 70.33 68.38 3hav n THR 231 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 3hav n ASP 232 N 0.00 4.50 -3.43 3.42 5.68 -1.26 -4.80 116.55 120.65 3hav n ASP 232 Ca 0.00 -3.69 -0.27 0.00 -0.50 0.00 0.00 54.79 50.33 3hav n ASP 232 Cb 0.00 -0.82 -0.10 0.00 -1.14 0.00 0.00 41.12 39.06 3hav n ASP 232 CO 0.00 0.00 0.00 -1.81 -1.33 0.00 0.00 177.20 174.06 3hav s ASP 233 N -1.72 1.84 0.00 -1.12 -0.00 -1.26 -3.72 116.67 110.69 3hav s ASP 233 Ca 0.57 -2.97 0.00 0.00 -0.00 0.00 0.00 52.55 50.15 3hav s ASP 233 Cb 0.47 -0.50 0.00 0.00 -0.00 0.00 0.00 42.92 42.90 3hav s ASP 233 CO 0.06 -0.19 0.00 0.49 -0.00 0.00 0.00 175.17 175.53 3hav n PHE 234 N 2.99 0.00 0.00 4.23 0.99 -1.26 -4.80 117.46 119.60 3hav n PHE 234 Ca 0.26 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.71 3hav n PHE 234 Cb 0.45 0.00 0.00 0.00 -1.00 0.00 0.00 39.48 38.93 3hav n PHE 234 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 3hav n GLY 235 N 0.00 2.84 0.14 1.37 0.00 -1.26 -4.64 105.19 103.63 3hav n GLY 235 Ca 0.00 -2.02 -0.02 0.00 0.00 0.00 0.00 46.02 43.98 3hav n GLY 235 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 3hav h LYS 236 N 0.00 0.04 -0.03 1.61 3.64 -1.84 -2.77 116.57 117.22 3hav h LYS 236 Ca 0.00 -0.03 -0.13 0.00 -1.27 0.00 0.00 60.65 59.23 3hav h LYS 236 Cb 0.00 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 31.81 3hav h LYS 236 CO 0.00 0.65 -0.56 1.05 -2.27 0.00 0.00 179.45 178.31 3hav h GLU 237 N 0.03 0.09 -0.66 1.90 9.09 -1.89 -1.47 114.58 121.67 3hav h GLU 237 Ca -0.01 -0.06 -0.07 0.00 0.05 0.00 0.00 59.36 59.28 3hav h GLU 237 Cb 1.10 0.01 -0.03 0.00 -1.65 0.00 0.00 28.75 28.18 3hav h GLU 237 CO 0.08 0.63 0.14 0.35 0.05 0.00 0.00 179.01 180.26 3hav h PHE 238 N 0.07 1.11 0.00 2.06 3.04 -1.78 -0.43 116.94 121.01 3hav h PHE 238 Ca -0.00 -0.14 0.00 0.00 3.98 0.00 0.00 57.97 61.81 3hav h PHE 238 Cb 1.02 -0.31 0.00 0.00 2.56 0.00 0.00 35.95 39.21 3hav h PHE 238 CO 0.01 0.92 0.00 0.41 -2.02 0.00 0.00 178.31 177.63 3hav n GLY 239 N -0.67 -0.92 0.10 2.40 0.00 -0.75 -0.75 105.19 104.60 3hav n GLY 239 Ca 0.05 -0.06 -0.11 0.00 0.00 0.00 0.00 46.02 45.90 3hav n GLY 239 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3hav n ARG 240 N -1.42 0.67 0.31 1.61 1.74 -0.49 -4.30 116.66 114.79 3hav n ARG 240 Ca 0.05 0.19 -0.15 0.00 -0.77 0.00 0.00 57.85 57.17 3hav n ARG 240 Cb 0.15 -1.68 -0.07 0.00 -1.02 0.00 0.00 32.46 29.84 3hav n ARG 240 CO 0.00 0.00 0.00 0.87 -1.52 0.00 0.00 177.63 176.98 3hav h LYS 241 N 0.01 -0.79 -6.38 5.56 1.57 -0.17 -3.08 116.57 113.29 3hav h LYS 241 Ca -0.41 0.05 -0.53 0.00 -1.87 0.00 0.00 60.65 57.90 3hav h LYS 241 Cb 2.08 0.18 0.02 0.00 0.08 0.00 0.00 32.23 34.59 3hav h LYS 241 CO 0.05 -0.48 1.19 0.08 -0.57 0.00 0.00 179.45 179.73 3hav s VAL 242 N -4.81 2.97 0.00 0.50 1.01 0.07 -0.78 120.40 119.37 3hav s VAL 242 Ca -0.14 0.10 0.00 0.00 0.00 0.00 0.00 61.98 61.94 3hav s VAL 242 Cb 0.02 -3.07 0.00 0.00 0.00 0.00 0.00 36.38 33.33 3hav s VAL 242 CO 0.47 -0.01 0.00 0.18 0.00 0.00 0.00 175.10 175.75 3hav n LEU 243 N 7.08 0.00 0.33 3.92 4.77 -1.26 -4.60 117.00 127.24 3hav n LEU 243 Ca 0.19 0.00 -0.15 0.00 -0.03 0.00 0.00 56.01 56.02 3hav n LEU 243 Cb 0.41 0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 41.42 3hav n LEU 243 CO 0.67 0.00 0.53 0.11 -1.33 0.00 0.00 177.39 177.36 3hav h LYS 244 N 0.00 -0.88 -0.26 3.23 1.57 -0.86 -0.20 116.57 119.18 3hav h LYS 244 Ca 0.00 0.06 0.06 0.00 -1.87 0.00 0.00 60.65 58.90 3hav h LYS 244 Cb 0.00 0.20 -0.01 0.00 0.08 0.00 0.00 32.23 32.50 3hav h LYS 244 CO 0.00 -0.58 0.18 1.88 -0.57 0.00 0.00 179.45 180.36 3hav h TYR 245 N -0.91 0.10 0.00 -1.35 -1.99 -1.75 0.17 116.97 111.24 3hav h TYR 245 Ca -0.08 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.65 3hav h TYR 245 Cb 0.72 -0.03 0.00 0.00 2.00 0.00 0.00 36.73 39.42 3hav h TYR 245 CO -0.03 0.06 0.00 0.98 -0.00 0.00 0.00 178.16 179.17 3hav n TYR 246 N -4.48 0.72 -3.88 4.88 4.19 -1.01 -4.83 117.16 112.75 3hav n TYR 246 Ca 0.03 0.28 -0.28 0.00 3.31 0.00 0.00 57.90 61.23 3hav n TYR 246 Cb 0.27 -0.95 0.02 0.00 0.49 0.00 0.00 39.34 39.17 3hav n TYR 246 CO 0.00 0.00 0.00 1.04 0.91 0.00 0.00 176.86 178.81 3hav n GLN 247 N -2.15 -5.15 -1.82 2.98 6.02 0.58 -4.91 117.38 112.93 3hav n GLN 247 Ca 0.03 0.58 -0.41 0.00 -0.01 0.00 0.00 57.00 57.19 3hav n GLN 247 Cb 0.24 -5.34 -0.01 0.00 1.02 0.00 0.00 30.24 26.15 3hav n GLN 247 CO 0.00 0.00 0.00 -1.58 -1.01 0.00 0.00 177.06 174.47 3hav s HIS 248 N -3.43 2.71 0.02 1.08 2.46 -0.70 -4.92 115.29 112.51 3hav s HIS 248 Ca 0.46 0.98 0.17 0.00 0.47 0.00 0.00 55.06 57.14 3hav s HIS 248 Cb -0.23 -4.02 0.39 0.00 -0.13 0.00 0.00 32.58 28.59 3hav s HIS 248 CO 0.83 -3.21 1.60 1.57 -2.47 0.00 0.00 174.74 173.05 3hav h LYS 249 N 4.03 0.00 -1.65 2.88 2.10 -1.92 -3.39 116.57 118.62 3hav h LYS 249 Ca -0.49 0.00 -0.44 0.00 -2.00 0.00 0.00 60.65 57.72 3hav h LYS 249 Cb 1.23 0.00 -0.31 0.00 -0.90 0.00 0.00 32.23 32.25 3hav h LYS 249 CO 0.72 0.44 -0.85 0.00 -2.00 0.00 0.00 179.45 177.77 3hav n ALA 250 N -2.26 1.20 -0.32 0.07 0.00 -1.26 -5.00 120.51 112.94 3hav n ALA 250 Ca 0.01 -2.54 -0.03 0.00 0.00 0.00 0.00 53.44 50.88 3hav n ALA 250 Cb 0.62 -1.00 0.09 0.00 0.00 0.00 0.00 19.45 19.16 3hav n ALA 250 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 3hav h PRO 251 N 4.80 1.10 -1.01 0.00 0.11 -1.97 -2.44 132.00 132.60 3hav h PRO 251 Ca 0.11 -0.07 0.24 0.00 0.11 0.00 0.00 66.00 66.40 3hav h PRO 251 Cb 0.96 -0.25 -0.11 0.00 0.11 0.00 0.00 31.00 31.71 3hav h PRO 251 CO 0.32 0.73 0.62 0.93 -0.21 0.00 0.00 178.00 180.39 3hav h GLU 252 N 1.14 0.53 0.16 1.05 5.08 -1.97 -0.28 114.58 120.28 3hav h GLU 252 Ca 0.32 -0.03 -0.01 0.00 -1.00 0.00 0.00 59.36 58.64 3hav h GLU 252 Cb -0.09 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.04 3hav h GLU 252 CO -0.08 0.35 -0.08 0.28 -1.00 0.00 0.00 179.01 178.48 3hav h VAL 253 N 0.55 0.94 -0.65 3.13 2.07 -1.87 -1.94 116.25 118.47 3hav h VAL 253 Ca 0.62 -0.44 0.10 0.00 0.82 0.00 0.00 66.70 67.79 3hav h VAL 253 Cb 1.26 1.21 -0.07 0.00 -1.52 0.00 0.00 31.29 32.17 3hav h VAL 253 CO -0.40 0.10 0.28 0.00 0.02 0.00 0.00 177.57 177.57 3hav h ALA 254 N 0.38 0.87 -0.51 1.67 0.00 -1.07 0.81 119.26 121.41 3hav h ALA 254 Ca -0.02 0.07 -0.12 0.00 0.00 0.00 0.00 54.91 54.84 3hav h ALA 254 Cb 0.33 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.12 3hav h ALA 254 CO 0.04 -0.14 -0.14 0.93 0.00 0.00 0.00 179.25 179.93 3hav h GLU 255 N 0.48 0.97 -0.31 0.00 5.08 -1.26 0.49 114.58 120.03 3hav h GLU 255 Ca 0.33 -0.37 -0.05 0.00 -1.00 0.00 0.00 59.36 58.27 3hav h GLU 255 Cb 0.38 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.57 3hav h GLU 255 CO -0.29 1.04 0.02 0.00 -1.00 0.00 0.00 179.01 178.78 3hav h ARG 256 N 0.86 0.54 -0.89 2.33 2.47 -0.52 0.71 114.38 119.88 3hav h ARG 256 Ca 0.13 -0.16 0.22 0.00 -1.26 0.00 0.00 59.98 58.90 3hav h ARG 256 Cb 0.70 -0.05 -0.12 0.00 -1.65 0.00 0.00 29.97 28.84 3hav h ARG 256 CO 0.05 0.66 0.37 0.87 0.56 0.00 0.00 179.97 182.49 3hav h LYS 257 N 0.35 0.37 0.22 0.04 1.79 0.91 0.62 116.57 120.85 3hav h LYS 257 Ca 0.09 -0.02 -0.01 0.00 -2.18 0.00 0.00 60.65 58.53 3hav h LYS 257 Cb 0.41 -0.08 0.00 0.00 -1.58 0.00 0.00 32.23 30.98 3hav h LYS 257 CO 0.01 0.24 -0.10 0.00 -1.08 0.00 0.00 179.45 178.52 3hav h ALA 258 N 1.71 -0.29 -0.51 3.86 0.00 -0.31 -2.93 119.26 120.79 3hav h ALA 258 Ca 0.55 -0.18 0.08 0.00 0.00 0.00 0.00 54.91 55.37 3hav h ALA 258 Cb 1.05 0.11 -0.07 0.00 0.00 0.00 0.00 17.79 18.88 3hav h ALA 258 CO -0.54 -0.49 0.12 0.93 0.00 0.00 0.00 179.25 179.27 3hav h GLU 259 N -0.63 0.26 0.00 0.00 5.08 -0.03 -0.21 114.58 119.05 3hav h GLU 259 Ca -0.03 -0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 58.31 3hav h GLU 259 Cb 0.45 -0.06 -0.00 0.00 0.50 0.00 0.00 28.75 29.64 3hav h GLU 259 CO 0.05 0.17 -0.04 1.25 -1.00 0.00 0.00 179.01 179.44 3hav h LEU 260 N 0.26 0.00 0.03 1.33 7.12 -0.95 -2.01 115.31 121.10 3hav h LEU 260 Ca 0.26 0.00 -0.24 0.00 0.13 0.00 0.00 57.88 58.02 3hav h LEU 260 Cb 0.33 0.00 -0.02 0.00 -0.53 0.00 0.00 40.66 40.44 3hav h LEU 260 CO -0.32 0.04 -1.20 -1.13 -0.13 0.00 0.00 178.44 175.70 3hav h ASN 261 N 0.00 0.11 0.26 1.25 -1.24 -0.87 -2.65 115.58 112.44 3hav h ASN 261 Ca -0.00 -0.13 -0.04 0.00 0.71 0.00 0.00 56.30 56.84 3hav h ASN 261 Cb 0.09 -0.04 -0.01 0.00 0.73 0.00 0.00 38.32 39.09 3hav h ASN 261 CO 0.00 1.11 -0.19 -0.78 -1.29 0.00 0.00 177.43 176.28 3hav h ASP 262 N 0.02 0.00 0.53 1.15 1.82 -0.58 -1.56 116.42 117.79 3hav h ASP 262 Ca -0.10 0.00 -0.29 0.00 -0.39 0.00 0.00 57.03 56.26 3hav h ASP 262 Cb 1.87 0.00 -0.05 0.00 0.68 0.00 0.00 39.33 41.83 3hav h ASP 262 CO 0.14 0.19 -1.65 1.62 -1.61 0.00 0.00 179.24 177.94 3hav h VAL 263 N 0.00 0.93 0.00 2.25 3.04 -1.58 -3.22 116.25 117.66 3hav h VAL 263 Ca -0.00 -2.76 0.00 0.00 -1.01 0.00 0.00 66.70 62.93 3hav h VAL 263 Cb 0.38 2.47 0.00 0.00 -2.01 0.00 0.00 31.29 32.12 3hav h VAL 263 CO 0.03 0.55 0.00 0.00 -1.01 0.00 0.00 177.57 177.14 3hav n TYR 264 N -3.10 0.00 0.29 3.17 9.36 -0.95 -2.34 117.16 123.60 3hav n TYR 264 Ca -0.16 0.00 0.08 0.00 3.32 0.00 0.00 57.90 61.15 3hav n TYR 264 Cb 1.04 -0.42 0.38 0.00 -0.63 0.00 0.00 39.34 39.71 3hav n TYR 264 CO 0.00 0.00 0.00 1.87 0.22 0.00 0.00 176.86 178.95 3hav n TRP 265 N -1.42 0.44 0.17 2.98 -0.00 -0.63 -2.77 117.44 116.21 3hav n TRP 265 Ca 0.04 0.19 -0.09 0.00 -0.00 0.00 0.00 57.50 57.65 3hav n TRP 265 Cb 0.13 -0.81 -0.05 0.00 -0.00 0.00 0.00 31.31 30.58 3hav n TRP 265 CO 0.00 0.00 0.00 0.77 -0.00 0.00 0.00 177.69 178.46 3hav h SER 266 N 0.00 -0.44 -0.89 5.87 0.02 -1.71 -2.96 113.55 113.45 3hav h SER 266 Ca 0.00 -0.03 0.20 0.00 -0.84 0.00 0.00 61.79 61.13 3hav h SER 266 Cb 0.18 0.11 -0.12 0.00 0.14 0.00 0.00 62.40 62.72 3hav h SER 266 CO 0.00 0.00 0.41 0.40 -1.14 0.00 0.00 176.83 176.51 3hav h ILE 267 N -1.11 0.54 -0.30 3.27 2.04 -1.76 -0.89 117.51 119.30 3hav h ILE 267 Ca -0.05 -0.16 0.00 0.00 1.00 0.00 0.00 64.86 65.65 3hav h ILE 267 Cb 0.44 0.04 -0.01 0.00 -0.74 0.00 0.00 36.82 36.54 3hav h ILE 267 CO 0.09 0.08 0.20 0.44 0.00 0.00 0.00 178.15 178.96 3hav h ASP 268 N 0.46 0.35 -0.84 1.72 3.32 -1.62 0.71 116.42 120.52 3hav h ASP 268 Ca 0.54 -0.01 0.10 0.00 0.02 0.00 0.00 57.03 57.67 3hav h ASP 268 Cb 0.96 -0.09 -0.06 0.00 0.22 0.00 0.00 39.33 40.37 3hav h ASP 268 CO -0.48 0.26 0.55 1.56 -1.72 0.00 0.00 179.24 179.40 3hav h GLN 269 N 0.41 0.78 0.67 3.56 4.20 -1.00 1.16 115.11 124.88 3hav h GLN 269 Ca 0.11 -0.05 -0.03 0.00 0.06 0.00 0.00 58.65 58.74 3hav h GLN 269 Cb -0.04 -0.18 0.01 0.00 0.30 0.00 0.00 27.48 27.57 3hav h GLN 269 CO -0.02 0.52 -0.33 0.82 -0.67 0.00 0.00 178.83 179.15 3hav h ILE 270 N 0.80 0.33 0.00 2.54 2.04 -0.76 -2.11 117.51 120.35 3hav h ILE 270 Ca 0.39 0.00 0.00 0.00 1.00 0.00 0.00 64.86 66.25 3hav h ILE 270 Cb 0.43 0.33 0.00 0.00 -0.74 0.00 0.00 36.82 36.84 3hav h ILE 270 CO -0.16 0.00 0.00 -0.38 0.00 0.00 0.00 178.15 177.61 3hav n ILE 271 N -5.48 1.32 0.36 -0.67 5.41 0.17 -2.28 119.36 118.19 3hav n ILE 271 Ca -0.14 0.33 0.13 0.00 1.00 0.00 0.00 62.75 64.07 3hav n ILE 271 Cb 0.37 -1.19 0.30 0.00 -0.71 0.00 0.00 39.64 38.41 3hav n ILE 271 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 176.55 176.77 3hav h TYR 272 N 0.00 0.00 -2.88 1.39 5.03 0.20 -3.41 116.97 117.31 3hav h TYR 272 Ca 0.00 0.00 -0.52 0.00 2.58 0.00 0.00 58.73 60.79 3hav h TYR 272 Cb 0.13 0.00 0.05 0.00 1.55 0.00 0.00 36.73 38.46 3hav h TYR 272 CO 0.00 0.00 0.91 0.20 -1.32 0.00 0.00 178.16 177.95 3hav s GLY 273 N -3.98 1.58 0.02 1.82 0.00 -0.97 -4.31 107.32 101.47 3hav s GLY 273 Ca 0.07 1.46 0.00 0.00 0.00 0.00 0.00 44.72 46.25 3hav s GLY 273 CO 0.62 2.67 0.00 -1.72 0.00 0.00 0.00 173.10 174.67 3hav n TYR 274 N 3.64 -1.05 0.20 1.90 4.02 -1.26 -5.05 117.16 119.56 3hav n TYR 274 Ca 0.13 0.63 0.00 0.00 -0.01 0.00 0.00 57.90 58.65 3hav n TYR 274 Cb 0.37 -2.39 0.00 0.00 -0.02 0.00 0.00 39.34 37.31 3hav n TYR 274 CO 0.00 0.00 0.00 -1.91 -1.01 0.00 0.00 176.86 173.94 3hav n GLU 275 N 0.40 0.00 0.00 -0.72 2.13 -1.26 -5.03 120.64 116.16 3hav n GLU 275 Ca 0.00 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.82 3hav n GLU 275 Cb 0.00 0.00 0.00 0.00 0.27 0.00 0.00 31.44 31.71 3hav n GLU 275 CO 0.00 0.00 0.00 -0.40 -0.41 0.00 0.00 177.13 176.32 3hav n ASP 278 N -3.33 0.00 -4.68 4.31 5.68 -1.26 -5.20 116.55 112.07 3hav n ASP 278 Ca 0.00 0.00 -0.35 0.00 -0.50 0.00 0.00 54.79 53.94 3hav n ASP 278 Cb 0.00 0.00 -0.09 0.00 -1.14 0.00 0.00 41.12 39.89 3hav n ASP 278 CO 0.00 0.00 0.00 -0.60 -1.33 0.00 0.00 177.20 175.27 3hav s ARG 279 N 0.00 3.62 0.64 0.11 6.06 -1.26 -4.97 118.95 123.15 3hav s ARG 279 Ca 0.00 -0.33 0.42 0.00 -2.50 0.00 0.00 55.73 53.32 3hav s ARG 279 Cb 0.00 -3.08 2.23 0.00 0.06 0.00 0.00 34.95 34.16 3hav s ARG 279 CO 0.00 0.47 2.29 1.05 -2.50 0.00 0.00 175.30 176.61 3hav h GLU 280 N 6.01 0.00 -6.56 5.12 4.11 -1.99 -3.42 114.58 117.85 3hav h GLU 280 Ca -0.43 0.00 -0.44 0.00 0.07 0.00 0.00 59.36 58.56 3hav h GLU 280 Cb 1.18 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.44 3hav h GLU 280 CO 0.64 0.00 -0.93 0.00 0.07 0.00 0.00 179.01 178.79 3hav n MET 281 N -3.04 -1.32 -2.13 1.06 0.00 -1.26 -0.02 117.12 110.42 3hav n MET 281 Ca -0.02 0.74 -0.14 0.00 0.00 0.00 0.00 57.70 58.28 3hav n MET 281 Cb 0.10 -2.89 -0.02 0.00 0.00 0.00 0.00 33.22 30.41 3hav n MET 281 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 175.97 177.25 3hav n LEU 282 N -2.95 -1.18 -0.88 3.17 4.77 -1.26 -4.20 117.00 114.47 3hav n LEU 282 Ca -0.24 0.22 0.00 0.00 -0.03 0.00 0.00 56.01 55.96 3hav n LEU 282 Cb 0.65 -2.20 0.00 0.00 -2.33 0.00 0.00 43.42 39.54 3hav n LEU 282 CO 0.64 -0.31 0.00 -0.38 -1.33 0.00 0.00 177.39 176.01 3hav n ILE 283 N -3.01 -1.77 -0.00 -0.08 -0.00 0.97 -4.69 119.36 110.78 3hav n ILE 283 Ca -0.15 0.00 0.00 0.00 -0.00 0.00 0.00 62.75 62.60 3hav n ILE 283 Cb 0.57 -2.39 0.00 0.00 -0.00 0.00 0.00 39.64 37.82 3hav n ILE 283 CO 0.00 0.00 0.00 0.29 -0.00 0.00 0.00 176.55 176.84 3hav n LYS 284 N 0.57 -0.00 -3.75 0.38 4.01 -0.38 -1.76 118.16 117.22 3hav n LYS 284 Ca 0.00 -0.00 -0.22 0.00 -0.51 0.00 0.00 58.31 57.58 3hav n LYS 284 Cb 0.00 0.00 -0.01 0.00 -0.51 0.00 0.00 35.03 34.51 3hav n LYS 284 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 3hav n GLY 285 N -0.00 -0.30 0.25 0.72 0.00 -1.26 -4.28 105.19 100.32 3hav n GLY 285 Ca 0.00 0.15 -0.09 0.00 0.00 0.00 0.00 46.02 46.08 3hav n GLY 285 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3hav h VAL 286 N -0.22 1.25 -0.73 1.61 2.07 -1.64 -3.25 116.25 115.34 3hav h VAL 286 Ca -0.38 -0.91 0.09 0.00 0.82 0.00 0.00 66.70 66.33 3hav h VAL 286 Cb 0.76 0.84 -0.10 0.00 -1.52 0.00 0.00 31.29 31.27 3hav h VAL 286 CO 0.32 0.33 -0.36 -1.54 0.02 0.00 0.00 177.57 176.34 3hav n SER 287 N -4.41 -0.63 0.00 0.57 3.41 -1.26 -3.69 113.62 107.61 3hav n SER 287 Ca 0.02 1.29 0.00 0.00 -0.26 0.00 0.00 58.87 59.92 3hav n SER 287 Cb 0.25 -0.23 0.00 0.00 -0.26 0.00 0.00 64.21 63.97 3hav n SER 287 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3hav n GLU 288 N -5.00 0.00 0.00 4.33 4.71 -1.22 -3.77 120.64 119.69 3hav n GLU 288 Ca 0.04 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.19 3hav n GLU 288 Cb 0.24 0.00 0.00 0.00 -1.01 0.00 0.00 31.44 30.67 3hav n GLU 288 CO 0.00 0.00 0.00 -0.11 0.09 0.00 0.00 177.13 177.11 3hav n LEU 289 N 0.00 0.00 -0.05 -4.62 7.94 -1.24 0.11 117.00 119.14 3hav n LEU 289 Ca 0.00 0.00 -0.02 0.00 -1.11 0.00 0.00 56.01 54.88 3hav n LEU 289 Cb 0.00 0.00 0.23 0.00 0.53 0.00 0.00 43.42 44.18 3hav n LEU 289 CO 0.00 0.00 0.91 -0.07 -1.11 0.00 0.00 177.39 177.12 3hav h LEU 290 N 0.00 0.62 -3.54 -1.96 3.38 -1.82 -2.72 115.31 109.27 3hav h LEU 290 Ca 0.00 -0.13 -0.42 0.00 0.09 0.00 0.00 57.88 57.42 3hav h LEU 290 Cb 0.00 -0.16 -0.22 0.00 0.09 0.00 0.00 40.66 40.37 3hav h LEU 290 CO 0.00 0.69 0.53 0.00 0.09 0.00 0.00 178.44 179.75 3hav n GLN 291 N -4.25 2.01 -5.23 1.13 3.00 0.31 -4.86 117.38 109.49 3hav n GLN 291 Ca 0.02 -2.24 -0.32 0.00 -0.01 0.00 0.00 57.00 54.45 3hav n GLN 291 Cb 0.27 -1.88 -0.17 0.00 0.00 0.00 0.00 30.24 28.47 3hav n GLN 291 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.06 178.01 3hav s THR 292 N -2.76 2.04 0.18 5.09 -4.23 -1.03 -4.80 115.64 110.13 3hav s THR 292 Ca 0.43 -1.04 -0.32 0.00 -1.18 0.00 0.00 61.69 59.59 3hav s THR 292 Cb 0.35 -1.74 -0.11 0.00 1.34 0.00 0.00 72.50 72.34 3hav s THR 292 CO 0.05 0.56 1.70 -1.58 -0.54 0.00 0.00 174.62 174.81 3hav s GLN 293 N 0.06 4.15 0.20 3.99 2.00 -1.26 -4.89 119.66 123.90 3hav s GLN 293 Ca -0.10 2.54 0.25 0.00 -2.00 0.00 0.00 55.36 56.05 3hav s GLN 293 Cb -0.15 -3.20 0.61 0.00 0.80 0.00 0.00 33.01 31.07 3hav s GLN 293 CO 0.06 -0.73 1.61 0.00 -0.50 0.00 0.00 175.29 175.72 3hav h ALA 294 N 7.15 0.86 -0.09 1.58 0.00 -1.96 -3.35 119.26 123.46 3hav h ALA 294 Ca -0.43 0.00 -0.09 0.00 0.00 0.00 0.00 54.91 54.39 3hav h ALA 294 Cb 1.20 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.00 3hav h ALA 294 CO 0.95 0.00 -0.29 0.93 0.00 0.00 0.00 179.25 180.83 3hav h GLU 295 N 0.00 0.35 -2.24 0.00 4.39 -1.94 -3.36 114.58 111.78 3hav h GLU 295 Ca 0.00 -0.26 -0.10 0.00 0.34 0.00 0.00 59.36 59.34 3hav h GLU 295 Cb 0.77 0.05 -0.04 0.00 -0.10 0.00 0.00 28.75 29.43 3hav h GLU 295 CO 0.00 0.89 -0.08 0.00 -1.16 0.00 0.00 179.01 178.65 3hav n MET 296 N -4.44 1.21 -1.31 2.33 0.00 -1.26 -3.86 117.12 109.79 3hav n MET 296 Ca -0.08 -0.53 -0.19 0.00 0.00 0.00 0.00 57.70 56.90 3hav n MET 296 Cb 0.48 -1.69 0.12 0.00 0.00 0.00 0.00 33.22 32.13 3hav n MET 296 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 175.97 177.16 3hav n PHE 297 N 2.43 2.24 0.00 3.17 3.01 -1.26 -4.91 117.46 122.15 3hav n PHE 297 Ca 0.23 -2.15 0.00 0.00 1.01 0.00 0.00 57.45 56.53 3hav n PHE 297 Cb 0.56 -0.73 0.00 0.00 -0.01 0.00 0.00 39.48 39.31 3hav n PHE 297 CO 0.00 0.00 0.00 0.44 1.01 0.00 0.00 176.76 178.21 3hav n ILE 298 N -0.96 0.00 0.00 4.37 -5.35 -1.25 -4.17 119.36 112.00 3hav n ILE 298 Ca 0.46 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.94 3hav n ILE 298 Cb 0.98 0.00 0.00 0.00 -1.74 0.00 0.00 39.64 38.88 3hav n ILE 298 CO 0.00 0.00 0.00 2.22 -1.76 0.00 0.00 176.55 177.01