#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jus h LEU 3 N 0.00 0.00 -0.13 -4.53 3.38 -1.98 -1.81 115.31 110.23 1jus h LEU 3 Ca 0.00 0.00 0.03 0.00 0.09 0.00 0.00 57.88 58.00 1jus h LEU 3 Cb 0.00 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 40.71 1jus h LEU 3 CO 0.00 0.23 -0.09 0.50 0.09 0.00 0.00 178.44 179.17 1jus h LYS 4 N 0.00 -0.09 -0.04 1.13 3.64 -1.98 -0.06 116.57 119.17 1jus h LYS 4 Ca -0.00 0.01 -0.08 0.00 -1.27 0.00 0.00 60.65 59.30 1jus h LYS 4 Cb 0.45 0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.28 1jus h LYS 4 CO 0.03 -0.06 -0.35 -0.44 -2.27 0.00 0.00 179.45 176.36 1jus h ASP 5 N -0.09 0.07 -0.15 4.20 3.45 -1.84 -1.30 116.42 120.76 1jus h ASP 5 Ca 0.08 -0.03 -0.16 0.00 0.43 0.00 0.00 57.03 57.36 1jus h ASP 5 Cb 0.21 -0.02 -0.01 0.00 -0.56 0.00 0.00 39.33 38.96 1jus h ASP 5 CO -0.19 0.43 -0.46 0.11 -1.57 0.00 0.00 179.24 177.55 1jus h LYS 6 N 0.06 0.71 -0.07 3.56 1.57 -0.74 -0.22 116.57 121.45 1jus h LYS 6 Ca 0.01 -0.40 -0.02 0.00 -1.87 0.00 0.00 60.65 58.37 1jus h LYS 6 Cb 0.66 0.03 -0.00 0.00 0.08 0.00 0.00 32.23 32.99 1jus h LYS 6 CO 0.05 1.02 -0.03 0.82 -0.57 0.00 0.00 179.45 180.74 1jus h ILE 7 N 0.57 1.32 -0.54 1.86 2.04 -0.77 -1.20 117.51 120.79 1jus h ILE 7 Ca 0.03 -1.02 0.04 0.00 1.00 0.00 0.00 64.86 64.91 1jus h ILE 7 Cb 1.02 1.85 -0.04 0.00 -0.74 0.00 0.00 36.82 38.90 1jus h ILE 7 CO 0.10 0.28 0.30 -0.07 0.00 0.00 0.00 178.15 178.76 1jus h LEU 8 N -0.22 0.47 0.22 1.44 3.38 -1.18 0.45 115.31 119.87 1jus h LEU 8 Ca 0.02 0.02 -0.01 0.00 0.09 0.00 0.00 57.88 57.99 1jus h LEU 8 Cb 0.46 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.14 1jus h LEU 8 CO 0.01 0.33 -0.11 1.23 0.09 0.00 0.00 178.44 179.99 1jus h GLY 9 N 0.59 -0.31 1.02 0.83 0.00 -1.01 -0.48 103.07 103.72 1jus h GLY 9 Ca 0.23 0.12 -0.01 0.00 0.00 0.00 0.00 47.33 47.66 1jus h GLY 9 CO -0.13 -0.11 0.46 -2.08 0.00 0.00 0.00 176.54 174.68 1jus h VAL 10 N -0.40 1.24 0.35 4.60 2.07 -1.03 -2.45 116.25 120.62 1jus h VAL 10 Ca -0.03 -0.59 -0.02 0.00 0.82 0.00 0.00 66.70 66.88 1jus h VAL 10 Cb 0.31 0.12 0.00 0.00 -1.52 0.00 0.00 31.29 30.20 1jus h VAL 10 CO 0.05 0.27 -0.18 0.00 0.02 0.00 0.00 177.57 177.73 1jus h ALA 11 N 1.25 -0.48 -0.34 1.67 0.00 0.01 -0.87 119.26 120.50 1jus h ALA 11 Ca 0.29 -0.10 0.07 0.00 0.00 0.00 0.00 54.91 55.17 1jus h ALA 11 Cb 0.02 0.20 -0.07 0.00 0.00 0.00 0.00 17.79 17.93 1jus h ALA 11 CO -0.05 -0.77 -0.13 -0.22 0.00 0.00 0.00 179.25 178.08 1jus h LYS 12 N -0.48 -0.07 -0.38 0.00 3.64 -0.88 0.96 116.57 119.36 1jus h LYS 12 Ca -0.05 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.34 1jus h LYS 12 Cb 0.37 0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 32.19 1jus h LYS 12 CO 0.07 -0.04 0.25 0.93 -2.27 0.00 0.00 179.45 178.39 1jus h GLU 13 N -0.07 0.50 -0.67 1.90 4.39 -1.36 0.53 114.58 119.81 1jus h GLU 13 Ca 0.17 -0.03 0.01 0.00 0.34 0.00 0.00 59.36 59.85 1jus h GLU 13 Cb 0.33 -0.11 -0.03 0.00 -0.10 0.00 0.00 28.75 28.83 1jus h GLU 13 CO -0.39 0.34 0.44 -0.07 -1.16 0.00 0.00 179.01 178.17 1jus h LEU 14 N 0.52 0.76 -0.88 1.33 3.38 -0.41 0.47 115.31 120.48 1jus h LEU 14 Ca 0.14 -0.02 -0.06 0.00 0.09 0.00 0.00 57.88 58.03 1jus h LEU 14 Cb -0.06 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 40.48 1jus h LEU 14 CO -0.03 0.55 0.11 -0.26 0.09 0.00 0.00 178.44 178.89 1jus h PHE 15 N 0.90 0.98 -0.12 1.13 0.05 -0.45 0.34 116.94 119.76 1jus h PHE 15 Ca 0.25 -0.11 -0.02 0.00 3.82 0.00 0.00 57.97 61.90 1jus h PHE 15 Cb -0.09 -0.28 -0.00 0.00 2.00 0.00 0.00 35.95 37.58 1jus h PHE 15 CO -0.03 0.83 -0.01 0.82 -0.18 0.00 0.00 178.31 179.74 1jus h ILE 16 N 0.89 1.27 -0.07 -0.55 2.04 -0.11 0.13 117.51 121.10 1jus h ILE 16 Ca 0.18 -0.87 -0.01 0.00 1.00 0.00 0.00 64.86 65.16 1jus h ILE 16 Cb 0.37 1.61 -0.00 0.00 -0.74 0.00 0.00 36.82 38.06 1jus h ILE 16 CO 0.01 0.25 -0.01 0.50 0.00 0.00 0.00 178.15 178.90 1jus h LYS 17 N -0.07 0.13 -0.00 2.37 3.64 0.22 -3.38 116.57 119.49 1jus h LYS 17 Ca 0.03 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.37 1jus h LYS 17 Cb 0.39 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.20 1jus h LYS 17 CO 0.01 0.43 -0.52 0.09 -2.27 0.00 0.00 179.45 177.19 1jus n ASN 18 N -4.83 0.61 0.00 4.20 5.03 0.12 -5.08 115.26 115.30 1jus n ASN 18 Ca -0.07 -0.81 0.00 0.00 0.87 0.00 0.00 54.58 54.58 1jus n ASN 18 Cb 0.21 0.95 0.00 0.00 -1.02 0.00 0.00 39.78 39.92 1jus n ASN 18 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1jus n GLY 19 N 1.25 -0.21 0.08 7.41 0.00 0.46 -4.38 105.19 109.79 1jus n GLY 19 Ca 0.02 -1.90 -0.12 0.00 0.00 0.00 0.00 46.02 44.03 1jus n GLY 19 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 1jus h TYR 20 N 0.00 -0.04 -0.79 1.61 3.20 -1.77 -3.31 116.97 115.87 1jus h TYR 20 Ca 0.00 -0.00 -0.01 0.00 3.14 0.00 0.00 58.73 61.86 1jus h TYR 20 Cb 0.00 0.01 -0.04 0.00 1.54 0.00 0.00 36.73 38.24 1jus h TYR 20 CO 0.00 0.67 0.47 -0.91 -1.64 0.00 0.00 178.16 176.75 1jus h ASN 21 N -0.87 0.96 -0.07 -2.11 2.35 -1.91 -2.80 115.58 111.13 1jus h ASN 21 Ca -0.00 -0.07 0.00 0.00 -0.55 0.00 0.00 56.30 55.67 1jus h ASN 21 Cb 0.72 -0.24 0.00 0.00 0.05 0.00 0.00 38.32 38.85 1jus h ASN 21 CO 0.01 0.75 0.00 0.00 -1.65 0.00 0.00 177.43 176.53 1jus n ALA 22 N -2.35 2.54 -3.09 -0.83 0.00 -1.26 -4.68 120.51 110.85 1jus n ALA 22 Ca 0.08 -0.20 -0.38 0.00 0.00 0.00 0.00 53.44 52.93 1jus n ALA 22 Cb 0.06 -1.14 -0.12 0.00 0.00 0.00 0.00 19.45 18.25 1jus n ALA 22 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1jus s THR 23 N -1.91 4.12 0.22 0.00 2.01 -1.06 -4.98 115.64 114.03 1jus s THR 23 Ca 0.20 -0.78 0.01 0.00 0.31 0.00 0.00 61.69 61.44 1jus s THR 23 Cb 0.10 -3.19 -0.04 0.00 0.01 0.00 0.00 72.50 69.38 1jus s THR 23 CO 0.15 -0.03 0.38 0.42 -0.69 0.00 0.00 174.62 174.86 1jus s THR 24 N 1.50 5.23 0.47 -0.82 -4.23 -1.26 -4.98 115.64 111.55 1jus s THR 24 Ca 0.02 -0.57 0.17 0.00 -1.18 0.00 0.00 61.69 60.13 1jus s THR 24 Cb -0.18 -3.78 0.33 0.00 1.34 0.00 0.00 72.50 70.22 1jus s THR 24 CO 0.04 -0.24 2.01 0.00 -0.54 0.00 0.00 174.62 175.89 1jus h THR 25 N 1.39 0.88 -0.11 3.99 1.03 -1.99 -2.80 112.91 115.30 1jus h THR 25 Ca -0.49 -0.09 -0.02 0.00 -0.01 0.00 0.00 66.41 65.81 1jus h THR 25 Cb 1.20 0.61 -0.00 0.00 -1.07 0.00 0.00 68.15 68.89 1jus h THR 25 CO 0.66 0.05 0.01 1.23 -0.01 0.00 0.00 175.52 177.45 1jus h GLY 26 N 0.25 0.21 0.98 2.99 0.00 -1.99 -2.60 103.07 102.90 1jus h GLY 26 Ca 0.22 -0.14 -0.00 0.00 0.00 0.00 0.00 47.33 47.40 1jus h GLY 26 CO -0.04 0.13 0.24 -2.09 0.00 0.00 0.00 176.54 174.78 1jus h GLU 27 N -0.06 0.56 -0.73 4.80 4.81 -1.91 0.44 114.58 122.49 1jus h GLU 27 Ca 0.03 -0.06 0.14 0.00 -0.13 0.00 0.00 59.36 59.35 1jus h GLU 27 Cb 0.32 -0.12 -0.10 0.00 0.63 0.00 0.00 28.75 29.49 1jus h GLU 27 CO 0.00 0.43 0.26 0.82 -0.73 0.00 0.00 179.01 179.80 1jus h ILE 28 N 0.54 0.63 -0.13 2.32 2.04 -1.52 0.04 117.51 121.43 1jus h ILE 28 Ca 0.15 -0.13 -0.04 0.00 1.00 0.00 0.00 64.86 65.83 1jus h ILE 28 Cb 0.02 0.21 -0.00 0.00 -0.74 0.00 0.00 36.82 36.30 1jus h ILE 28 CO -0.03 0.07 -0.08 1.62 0.00 0.00 0.00 178.15 179.73 1jus h VAL 29 N 0.39 1.33 -0.73 1.67 3.04 -0.84 -1.65 116.25 119.46 1jus h VAL 29 Ca 0.40 -1.16 0.09 0.00 -1.01 0.00 0.00 66.70 65.03 1jus h VAL 29 Cb 0.62 1.80 -0.07 0.00 -2.01 0.00 0.00 31.29 31.64 1jus h VAL 29 CO -0.42 0.34 0.37 0.50 -1.01 0.00 0.00 177.57 177.35 1jus h LYS 30 N -0.06 0.62 0.00 4.17 1.63 0.76 -2.31 116.57 121.37 1jus h LYS 30 Ca 0.03 -0.04 0.00 0.00 -0.85 0.00 0.00 60.65 59.79 1jus h LYS 30 Cb 0.57 -0.14 0.00 0.00 -0.60 0.00 0.00 32.23 32.06 1jus h LYS 30 CO 0.02 0.41 -0.19 1.28 -3.45 0.00 0.00 179.45 177.52 1jus n LEU 31 N -4.84 0.56 -1.25 5.20 4.77 -0.09 -3.36 117.00 117.99 1jus n LEU 31 Ca 0.11 0.42 0.11 0.00 -0.03 0.00 0.00 56.01 56.62 1jus n LEU 31 Cb 0.27 -0.33 0.30 0.00 -2.33 0.00 0.00 43.42 41.33 1jus n LEU 31 CO 0.25 -0.08 0.75 -1.54 -1.33 0.00 0.00 177.39 175.45 1jus n SER 32 N -1.96 3.85 -3.93 -1.43 3.41 -0.63 -4.94 113.62 107.99 1jus n SER 32 Ca 0.05 -2.04 -0.28 0.00 -0.26 0.00 0.00 58.87 56.34 1jus n SER 32 Cb 0.40 -0.45 -0.01 0.00 -0.26 0.00 0.00 64.21 63.89 1jus n SER 32 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1jus n GLU 33 N 1.40 -2.55 -1.98 4.33 1.02 -1.00 -4.80 120.64 117.06 1jus n GLU 33 Ca 0.22 0.38 0.00 0.00 -0.02 0.00 0.00 57.16 57.74 1jus n GLU 33 Cb 0.61 -4.26 0.00 0.00 -0.02 0.00 0.00 31.44 27.77 1jus n GLU 33 CO 0.00 0.00 0.00 0.43 1.18 0.00 0.00 177.13 178.74 1jus n SER 34 N -2.87 0.86 -4.25 1.62 7.64 -0.92 -5.08 113.62 110.63 1jus n SER 34 Ca -0.26 -0.99 -0.23 0.00 1.01 0.00 0.00 58.87 58.41 1jus n SER 34 Cb 0.66 0.00 -0.13 0.00 -1.01 0.00 0.00 64.21 63.73 1jus n SER 34 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1jus s SER 35 N -0.98 2.31 0.27 6.43 1.04 -1.26 -4.61 113.70 116.90 1jus s SER 35 Ca 0.00 -0.64 -0.00 0.00 0.48 0.00 0.00 55.95 55.78 1jus s SER 35 Cb 0.00 -0.13 0.50 0.00 0.10 0.00 0.00 66.02 66.49 1jus s SER 35 CO 0.00 0.04 1.84 0.11 0.98 0.00 0.00 173.24 176.21 1jus h LYS 36 N 4.26 0.95 -0.23 4.02 1.57 -1.94 0.15 116.57 125.35 1jus h LYS 36 Ca -0.44 -0.06 0.06 0.00 -1.87 0.00 0.00 60.65 58.34 1jus h LYS 36 Cb 1.18 -0.21 -0.07 0.00 0.08 0.00 0.00 32.23 33.21 1jus h LYS 36 CO 0.40 0.63 -0.22 0.78 -0.57 0.00 0.00 179.45 180.47 1jus h GLY 37 N 0.97 -0.12 0.83 3.86 0.00 -1.99 0.14 103.07 106.76 1jus h GLY 37 Ca 0.47 0.27 0.03 0.00 0.00 0.00 0.00 47.33 48.10 1jus h GLY 37 CO -0.25 -0.19 0.26 -0.57 0.00 0.00 0.00 176.54 175.79 1jus h ASN 38 N -0.23 0.41 -0.12 0.19 -1.24 -1.20 -2.77 115.58 110.62 1jus h ASN 38 Ca 0.13 0.01 -0.00 0.00 0.71 0.00 0.00 56.30 57.15 1jus h ASN 38 Cb 0.43 -0.07 -0.01 0.00 0.73 0.00 0.00 38.32 39.41 1jus h ASN 38 CO -0.36 0.29 0.06 0.25 -1.29 0.00 0.00 177.43 176.37 1jus h LEU 39 N 0.52 0.15 -2.09 0.34 6.46 -0.27 -2.94 115.31 117.48 1jus h LEU 39 Ca 0.20 -0.12 0.05 0.00 -0.12 0.00 0.00 57.88 57.89 1jus h LEU 39 Cb 0.06 -0.04 -0.01 0.00 -0.73 0.00 0.00 40.66 39.94 1jus h LEU 39 CO -0.11 0.23 0.15 1.88 -0.62 0.00 0.00 178.44 179.97 1jus h TYR 40 N 0.06 0.00 -0.13 1.25 0.05 -0.86 -1.41 116.97 115.94 1jus h TYR 40 Ca 0.04 0.00 -0.17 0.00 0.05 0.00 0.00 58.73 58.65 1jus h TYR 40 Cb 0.12 0.00 0.01 0.00 1.01 0.00 0.00 36.73 37.87 1jus h TYR 40 CO -0.03 0.00 -0.58 -0.92 -1.05 0.00 0.00 178.16 175.58 1jus h TYR 41 N 0.00 0.83 -0.16 4.88 3.20 -1.32 -3.28 116.97 121.12 1jus h TYR 41 Ca 0.09 -0.36 -0.17 0.00 3.14 0.00 0.00 58.73 61.42 1jus h TYR 41 Cb 0.38 -0.13 0.01 0.00 1.54 0.00 0.00 36.73 38.53 1jus h TYR 41 CO 0.00 1.16 -0.58 0.45 -1.64 0.00 0.00 178.16 177.55 1jus h HIS 42 N 0.27 0.89 -3.94 -3.82 3.86 -1.36 -3.42 115.15 107.62 1jus h HIS 42 Ca -0.04 -0.37 -0.61 0.00 -1.16 0.00 0.00 60.37 58.20 1jus h HIS 42 Cb 1.22 -0.15 -0.31 0.00 1.06 0.00 0.00 27.41 29.23 1jus h HIS 42 CO 0.10 1.17 -0.85 -0.06 0.86 0.00 0.00 177.93 179.15 1jus s PHE 43 N -3.82 1.96 0.21 2.45 0.40 -0.58 -5.04 117.98 113.56 1jus s PHE 43 Ca -0.12 -0.57 -0.05 0.00 -0.60 0.00 0.00 56.93 55.59 1jus s PHE 43 Cb 0.07 -1.30 0.18 0.00 0.51 0.00 0.00 43.02 42.48 1jus s PHE 43 CO 0.86 -0.18 1.66 1.57 0.70 0.00 0.00 175.22 179.83 1jus h LYS 44 N 6.19 0.88 -4.44 0.44 2.10 -1.82 -3.31 116.57 116.61 1jus h LYS 44 Ca -0.32 -0.30 -0.36 0.00 -2.00 0.00 0.00 60.65 57.67 1jus h LYS 44 Cb 1.17 -0.07 -0.10 0.00 -0.90 0.00 0.00 32.23 32.34 1jus h LYS 44 CO 0.48 0.94 -0.31 0.95 -2.00 0.00 0.00 179.45 179.50 1jus s THR 45 N -4.83 0.00 0.06 0.07 -4.23 -1.26 -4.80 115.64 100.65 1jus s THR 45 Ca -0.10 -1.76 -0.26 0.00 -1.18 0.00 0.00 61.69 58.39 1jus s THR 45 Cb 0.14 -2.60 -0.17 0.00 1.34 0.00 0.00 72.50 71.21 1jus s THR 45 CO 0.84 0.00 1.58 0.50 -0.54 0.00 0.00 174.62 177.00 1jus h LYS 46 N 2.11 -0.26 -0.24 3.99 3.64 -1.98 -1.99 116.57 121.84 1jus h LYS 46 Ca -0.27 0.02 0.04 0.00 -1.27 0.00 0.00 60.65 59.17 1jus h LYS 46 Cb 1.24 0.06 -0.07 0.00 -0.41 0.00 0.00 32.23 33.04 1jus h LYS 46 CO 0.38 -0.08 -0.54 0.93 -2.27 0.00 0.00 179.45 177.87 1jus h GLU 47 N -0.38 -0.49 -0.80 1.90 3.07 -1.99 0.38 114.58 116.28 1jus h GLU 47 Ca -0.03 0.03 0.11 0.00 -0.50 0.00 0.00 59.36 58.98 1jus h GLU 47 Cb 0.29 0.11 -0.06 0.00 -0.84 0.00 0.00 28.75 28.26 1jus h GLU 47 CO 0.04 -0.32 0.52 -0.97 -1.40 0.00 0.00 179.01 176.88 1jus h ASN 48 N -0.50 0.62 -0.61 1.42 -1.24 -1.96 0.20 115.58 113.51 1jus h ASN 48 Ca 0.05 0.02 0.01 0.00 0.71 0.00 0.00 56.30 57.09 1jus h ASN 48 Cb 0.65 -0.11 -0.03 0.00 0.73 0.00 0.00 38.32 39.56 1jus h ASN 48 CO -0.50 0.36 0.40 0.25 -1.29 0.00 0.00 177.43 176.65 1jus h LEU 49 N 0.68 0.69 -0.32 0.34 5.85 -0.21 -0.89 115.31 121.46 1jus h LEU 49 Ca 0.38 -0.02 -0.02 0.00 0.84 0.00 0.00 57.88 59.06 1jus h LEU 49 Cb 0.54 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 41.38 1jus h LEU 49 CO -0.15 0.50 0.12 0.15 -0.34 0.00 0.00 178.44 178.72 1jus h PHE 50 N 0.82 0.50 -0.70 1.25 3.04 0.11 -1.97 116.94 119.99 1jus h PHE 50 Ca 0.22 -0.04 0.04 0.00 3.98 0.00 0.00 57.97 62.16 1jus h PHE 50 Cb -0.09 -0.15 -0.04 0.00 2.56 0.00 0.00 35.95 38.23 1jus h PHE 50 CO -0.03 0.49 0.46 -0.07 -2.02 0.00 0.00 178.31 177.14 1jus h LEU 51 N 0.37 0.73 -0.52 0.59 -0.00 -0.40 0.34 115.31 116.42 1jus h LEU 51 Ca 0.11 -0.01 -0.13 0.00 -0.00 0.00 0.00 57.88 57.85 1jus h LEU 51 Cb 0.21 -0.17 -0.01 0.00 -0.00 0.00 0.00 40.66 40.69 1jus h LEU 51 CO -0.01 0.50 -0.20 -0.33 -0.00 0.00 0.00 178.44 178.40 1jus h GLU 52 N 0.84 0.99 -0.09 1.13 5.08 -0.76 -1.11 114.58 120.66 1jus h GLU 52 Ca 0.28 -0.42 -0.00 0.00 -1.00 0.00 0.00 59.36 58.22 1jus h GLU 52 Cb 0.07 -0.04 -0.00 0.00 0.50 0.00 0.00 28.75 29.28 1jus h GLU 52 CO -0.08 1.09 0.04 0.82 -1.00 0.00 0.00 179.01 179.88 1jus h ILE 53 N 0.86 1.12 -0.58 3.13 2.04 -0.58 -1.44 117.51 122.06 1jus h ILE 53 Ca 0.11 -0.36 0.06 0.00 1.00 0.00 0.00 64.86 65.67 1jus h ILE 53 Cb 0.78 1.20 -0.03 0.00 -0.74 0.00 0.00 36.82 38.02 1jus h ILE 53 CO 0.06 0.11 0.39 -0.07 0.00 0.00 0.00 178.15 178.64 1jus h LEU 54 N 0.01 0.50 0.04 1.44 4.07 -0.82 0.02 115.31 120.58 1jus h LEU 54 Ca 0.03 0.00 -0.00 0.00 0.08 0.00 0.00 57.88 57.99 1jus h LEU 54 Cb 0.13 -0.11 0.00 0.00 1.08 0.00 0.00 40.66 41.77 1jus h LEU 54 CO -0.00 0.33 -0.02 0.78 -1.08 0.00 0.00 178.44 178.45 1jus h ASN 55 N 0.57 -0.05 -0.22 -0.43 4.21 -0.68 -1.98 115.58 117.01 1jus h ASN 55 Ca 0.25 -0.26 0.02 0.00 1.21 0.00 0.00 56.30 57.52 1jus h ASN 55 Cb 0.26 0.01 -0.03 0.00 -1.12 0.00 0.00 38.32 37.45 1jus h ASN 55 CO -0.07 0.24 0.07 0.40 -1.29 0.00 0.00 177.43 176.77 1jus h ILE 56 N -0.33 0.93 -0.48 2.81 2.04 -0.46 -1.54 117.51 120.48 1jus h ILE 56 Ca -0.01 -0.06 0.09 0.00 1.00 0.00 0.00 64.86 65.89 1jus h ILE 56 Cb 0.30 0.75 -0.08 0.00 -0.74 0.00 0.00 36.82 37.05 1jus h ILE 56 CO 0.01 0.03 -0.03 -0.33 0.00 0.00 0.00 178.15 177.83 1jus h GLU 57 N 0.16 0.08 0.03 2.37 4.39 -0.94 0.18 114.58 120.86 1jus h GLU 57 Ca 0.10 -0.00 0.01 0.00 0.34 0.00 0.00 59.36 59.81 1jus h GLU 57 Cb 0.08 -0.02 -0.02 0.00 -0.10 0.00 0.00 28.75 28.69 1jus h GLU 57 CO -0.11 0.05 -0.10 1.49 -1.16 0.00 0.00 179.01 179.18 1jus h GLU 58 N 0.08 -0.18 0.28 2.33 4.57 -0.89 -0.62 114.58 120.14 1jus h GLU 58 Ca 0.24 0.01 0.01 0.00 -1.18 0.00 0.00 59.36 58.44 1jus h GLU 58 Cb 0.36 0.04 -0.03 0.00 -0.16 0.00 0.00 28.75 28.96 1jus h GLU 58 CO -0.43 -0.12 -0.35 1.03 -1.18 0.00 0.00 179.01 177.96 1jus h SER 59 N -0.19 -0.99 -0.74 1.04 0.87 -0.46 0.32 113.55 113.42 1jus h SER 59 Ca 0.03 0.09 0.14 0.00 -1.23 0.00 0.00 61.79 60.82 1jus h SER 59 Cb 0.22 0.35 -0.05 0.00 -0.44 0.00 0.00 62.40 62.47 1jus h SER 59 CO -0.08 -0.48 0.49 0.11 -0.53 0.00 0.00 176.83 176.35 1jus h LYS 60 N -0.68 0.42 0.02 2.24 1.79 -0.56 -0.66 116.57 119.13 1jus h LYS 60 Ca -0.01 -0.03 -0.25 0.00 -2.18 0.00 0.00 60.65 58.19 1jus h LYS 60 Cb 0.65 -0.10 0.02 0.00 -1.58 0.00 0.00 32.23 31.22 1jus h LYS 60 CO -0.11 0.28 -0.97 2.35 -1.08 0.00 0.00 179.45 179.91 1jus h TRP 61 N 0.43 0.95 -0.62 -1.35 -0.00 -0.34 -1.77 115.95 113.25 1jus h TRP 61 Ca 0.36 -0.53 -0.05 0.00 -0.00 0.00 0.00 58.89 58.67 1jus h TRP 61 Cb 0.79 -0.10 -0.03 0.00 -0.00 0.00 0.00 29.16 29.82 1jus h TRP 61 CO -0.00 1.36 0.17 0.37 -0.00 0.00 0.00 178.44 180.34 1jus h GLN 62 N 0.26 0.96 0.03 2.65 4.15 0.37 -0.67 115.11 122.86 1jus h GLN 62 Ca -0.13 -0.20 -0.00 0.00 0.77 0.00 0.00 58.65 59.09 1jus h GLN 62 Cb 1.64 -0.14 0.00 0.00 0.21 0.00 0.00 27.48 29.19 1jus h GLN 62 CO 0.19 0.84 -0.01 1.49 -1.93 0.00 0.00 178.83 179.41 1jus h GLU 63 N 0.92 -0.04 -0.75 1.69 4.57 -1.17 -0.54 114.58 119.25 1jus h GLU 63 Ca 0.20 0.00 0.13 0.00 -1.18 0.00 0.00 59.36 58.51 1jus h GLU 63 Cb 0.30 0.01 -0.05 0.00 -0.16 0.00 0.00 28.75 28.85 1jus h GLU 63 CO -0.00 0.41 0.50 0.37 -1.18 0.00 0.00 179.01 179.10 1jus h GLN 64 N -0.50 0.51 -0.00 1.92 4.15 -1.15 -0.39 115.11 119.64 1jus h GLN 64 Ca -0.00 -0.03 -0.20 0.00 0.77 0.00 0.00 58.65 59.18 1jus h GLN 64 Cb 0.46 -0.11 -0.01 0.00 0.21 0.00 0.00 27.48 28.03 1jus h GLN 64 CO 0.01 0.33 -0.88 2.35 -1.93 0.00 0.00 178.83 178.71 1jus h TRP 65 N 0.52 0.39 -0.71 3.99 -0.00 -0.97 -2.05 115.95 117.11 1jus h TRP 65 Ca 0.36 -0.21 -0.00 0.00 -0.00 0.00 0.00 58.89 59.04 1jus h TRP 65 Cb 0.69 -0.04 -0.03 0.00 -0.00 0.00 0.00 29.16 29.77 1jus h TRP 65 CO -0.00 1.02 0.44 -0.22 -0.00 0.00 0.00 178.44 179.68 1jus h LYS 66 N 0.15 0.96 0.02 2.65 3.64 0.58 -1.36 116.57 123.22 1jus h LYS 66 Ca -0.05 -0.08 -0.25 0.00 -1.27 0.00 0.00 60.65 58.99 1jus h LYS 66 Cb 1.51 -0.21 0.01 0.00 -0.41 0.00 0.00 32.23 33.13 1jus h LYS 66 CO 0.14 0.67 -1.04 0.87 -2.27 0.00 0.00 179.45 177.82 1jus h LYS 67 N 0.97 0.54 -0.23 1.90 1.57 -1.39 -3.37 116.57 116.56 1jus h LYS 67 Ca 0.26 -0.61 -0.06 0.00 -1.87 0.00 0.00 60.65 58.37 1jus h LYS 67 Cb -0.05 0.18 -0.01 0.00 0.08 0.00 0.00 32.23 32.44 1jus h LYS 67 CO -0.05 1.23 -0.07 1.49 -0.57 0.00 0.00 179.45 181.48 1jus h GLU 68 N 0.29 0.46 -0.31 3.15 4.57 -1.12 -3.31 114.58 118.31 1jus h GLU 68 Ca -0.12 -0.18 0.05 0.00 -1.18 0.00 0.00 59.36 57.93 1jus h GLU 68 Cb 1.69 -0.02 -0.02 0.00 -0.16 0.00 0.00 28.75 30.24 1jus h GLU 68 CO 0.19 0.71 0.21 -0.56 -1.18 0.00 0.00 179.01 178.38 1jus h GLN 69 N 0.19 0.20 -0.39 1.92 3.07 -1.41 -1.81 115.11 116.88 1jus h GLN 69 Ca 0.06 -0.01 0.11 0.00 0.09 0.00 0.00 58.65 58.90 1jus h GLN 69 Cb 0.55 -0.05 -0.02 0.00 0.08 0.00 0.00 27.48 28.05 1jus h GLN 69 CO 0.03 0.13 0.53 0.82 0.09 0.00 0.00 178.83 180.43 1jus h ILE 70 N 0.21 0.24 0.00 1.86 2.04 -1.75 0.12 117.51 120.23 1jus h ILE 70 Ca 0.13 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.99 1jus h ILE 70 Cb 0.27 0.55 0.00 0.00 -0.74 0.00 0.00 36.82 36.90 1jus h ILE 70 CO -0.02 0.00 0.00 0.29 0.00 0.00 0.00 178.15 178.42 1jus n LYS 71 N -3.44 0.23 -3.93 2.37 5.02 -0.68 -4.63 118.16 113.09 1jus n LYS 71 Ca 0.07 0.31 -0.35 0.00 -2.02 0.00 0.00 58.31 56.33 1jus n LYS 71 Cb 0.69 -1.84 -0.14 0.00 -0.02 0.00 0.00 35.03 33.73 1jus n LYS 71 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1jus s ALA 72 N -3.20 2.75 0.06 7.82 0.00 0.42 -5.04 121.76 124.56 1jus s ALA 72 Ca 0.08 -1.38 -0.34 0.00 0.00 0.00 0.00 51.96 50.32 1jus s ALA 72 Cb 0.11 -1.73 -0.18 0.00 0.00 0.00 0.00 23.12 21.32 1jus s ALA 72 CO 0.50 -0.72 1.50 -0.22 0.00 0.00 0.00 175.76 176.82 1jus h LYS 73 N 8.06 -1.14 -6.81 0.00 3.64 -1.83 -3.43 116.57 115.06 1jus h LYS 73 Ca -0.35 0.08 -0.48 0.00 -1.27 0.00 0.00 60.65 58.63 1jus h LYS 73 Cb 1.12 0.26 0.03 0.00 -0.41 0.00 0.00 32.23 33.23 1jus h LYS 73 CO 0.59 -0.76 0.00 0.95 -2.27 0.00 0.00 179.45 177.96 1jus s THR 74 N -5.64 4.46 0.07 1.00 -4.23 -1.26 -4.96 115.64 105.08 1jus s THR 74 Ca -0.18 -0.17 0.18 0.00 -1.18 0.00 0.00 61.69 60.34 1jus s THR 74 Cb 0.02 -3.68 0.12 0.00 1.34 0.00 0.00 72.50 70.30 1jus s THR 74 CO 0.53 -0.57 1.66 0.78 -0.54 0.00 0.00 174.62 176.48 1jus h ASN 75 N 0.31 0.00 -0.18 3.99 2.35 -1.91 -0.67 115.58 119.47 1jus h ASN 75 Ca -0.47 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.27 1jus h ASN 75 Cb 1.23 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 39.59 1jus h ASN 75 CO 0.60 0.40 0.08 -0.09 -1.65 0.00 0.00 177.43 176.77 1jus h ARG 76 N 0.00 0.32 0.25 0.81 1.12 -1.94 -2.37 114.38 112.57 1jus h ARG 76 Ca -0.00 -0.04 -0.33 0.00 -1.11 0.00 0.00 59.98 58.50 1jus h ARG 76 Cb 1.03 -0.06 0.04 0.00 -0.01 0.00 0.00 29.97 30.96 1jus h ARG 76 CO 0.05 0.29 -1.49 0.93 -3.11 0.00 0.00 179.97 176.64 1jus h GLU 77 N 0.33 0.52 0.00 0.20 5.08 -1.71 -3.21 114.58 115.79 1jus h GLU 77 Ca 0.08 -0.89 -0.03 0.00 -1.00 0.00 0.00 59.36 57.52 1jus h GLU 77 Cb 0.09 0.33 -0.00 0.00 0.50 0.00 0.00 28.75 29.67 1jus h GLU 77 CO -0.01 1.43 -0.14 0.87 -1.00 0.00 0.00 179.01 180.16 1jus h LYS 78 N 0.12 0.00 0.01 2.33 1.57 -0.78 -0.64 116.57 119.19 1jus h LYS 78 Ca -0.26 0.00 -0.25 0.00 -1.87 0.00 0.00 60.65 58.26 1jus h LYS 78 Cb 2.15 0.00 0.01 0.00 0.08 0.00 0.00 32.23 34.47 1jus h LYS 78 CO 0.26 0.14 -1.03 0.35 -0.57 0.00 0.00 179.45 178.61 1jus h PHE 79 N 0.00 0.85 0.16 -1.35 3.57 -1.53 -1.34 116.94 117.29 1jus h PHE 79 Ca -0.00 -0.47 -0.01 0.00 3.53 0.00 0.00 57.97 61.02 1jus h PHE 79 Cb 0.33 -0.09 0.00 0.00 2.79 0.00 0.00 35.95 38.97 1jus h PHE 79 CO 0.00 1.30 -0.08 1.88 -2.23 0.00 0.00 178.31 179.19 1jus h TYR 80 N 0.31 -0.20 0.18 0.41 0.05 -1.43 -2.90 116.97 113.40 1jus h TYR 80 Ca -0.11 -0.00 0.01 0.00 0.05 0.00 0.00 58.73 58.67 1jus h TYR 80 Cb 1.68 0.07 -0.03 0.00 1.01 0.00 0.00 36.73 39.45 1jus h TYR 80 CO 0.08 0.15 -0.31 1.25 -1.05 0.00 0.00 178.16 178.29 1jus h LEU 81 N -0.58 -0.88 -0.37 3.88 5.85 -1.20 -2.56 115.31 119.45 1jus h LEU 81 Ca -0.02 0.09 0.07 0.00 0.84 0.00 0.00 57.88 58.87 1jus h LEU 81 Cb 0.44 0.32 -0.09 0.00 0.37 0.00 0.00 40.66 41.70 1jus h LEU 81 CO 0.04 -0.41 -0.36 0.22 -0.34 0.00 0.00 178.44 177.58 1jus h TYR 82 N -0.57 -1.01 0.00 1.25 3.20 -1.29 0.48 116.97 119.02 1jus h TYR 82 Ca 0.02 0.06 -0.00 0.00 3.14 0.00 0.00 58.73 61.94 1jus h TYR 82 Cb 0.57 0.50 -0.00 0.00 1.54 0.00 0.00 36.73 39.34 1jus h TYR 82 CO -0.25 -0.41 -0.00 -0.91 -1.64 0.00 0.00 178.16 174.95 1jus h ASN 83 N -0.29 0.00 0.08 -2.11 -0.26 -1.41 -0.76 115.58 110.82 1jus h ASN 83 Ca 0.15 0.00 -0.24 0.00 -0.56 0.00 0.00 56.30 55.66 1jus h ASN 83 Cb 0.56 0.00 0.02 0.00 -1.06 0.00 0.00 38.32 37.84 1jus h ASN 83 CO -0.53 0.00 -0.97 -0.08 -1.06 0.00 0.00 177.43 174.79 1jus h GLU 84 N 0.00 0.52 0.03 0.81 4.81 -0.71 -3.26 114.58 116.77 1jus h GLU 84 Ca -0.00 -0.66 0.00 0.00 -0.13 0.00 0.00 59.36 58.57 1jus h GLU 84 Cb 0.01 0.21 -0.01 0.00 0.63 0.00 0.00 28.75 29.59 1jus h GLU 84 CO 0.00 1.28 -0.04 1.25 -0.73 0.00 0.00 179.01 180.77 1jus h LEU 85 N 0.06 -0.10 -1.99 1.64 5.85 -0.01 -2.25 115.31 118.52 1jus h LEU 85 Ca -0.14 0.01 0.57 0.00 0.84 0.00 0.00 57.88 59.16 1jus h LEU 85 Cb 1.68 0.04 -0.08 0.00 0.37 0.00 0.00 40.66 42.67 1jus h LEU 85 CO 0.19 -0.06 1.43 0.28 -0.34 0.00 0.00 178.44 179.93 1jus h SER 86 N -0.08 0.00 1.30 1.25 0.02 -1.22 1.63 113.55 116.45 1jus h SER 86 Ca 0.01 0.00 -0.12 0.00 -0.84 0.00 0.00 61.79 60.84 1jus h SER 86 Cb 0.08 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.61 1jus h SER 86 CO -0.02 0.00 -0.58 -0.07 -1.14 0.00 0.00 176.83 175.02 1jus h LEU 87 N 0.00 0.00 0.00 5.07 3.38 -1.48 -3.38 115.31 118.91 1jus h LEU 87 Ca 0.94 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 58.79 1jus h LEU 87 Cb 3.78 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 44.51 1jus h LEU 87 CO -0.01 0.58 -1.67 0.35 0.09 0.00 0.00 178.44 177.78 1jus n THR 88 N -3.30 0.43 -1.64 0.22 -2.24 0.54 -5.02 114.28 103.26 1jus n THR 88 Ca 0.01 -0.38 -0.38 0.00 -2.27 0.00 0.00 64.05 61.03 1jus n THR 88 Cb 0.74 -0.30 0.05 0.00 -2.10 0.00 0.00 70.33 68.72 1jus n THR 88 CO 0.00 0.00 0.00 1.07 -0.57 0.00 0.00 175.07 175.57 1jus n THR 89 N -2.19 3.74 1.08 4.28 5.66 0.02 -4.89 114.28 121.98 1jus n THR 89 Ca -0.11 -0.50 0.12 0.00 -3.05 0.00 0.00 64.05 60.51 1jus n THR 89 Cb 0.62 -1.25 0.25 0.00 -1.55 0.00 0.00 70.33 68.40 1jus n THR 89 CO 0.00 0.00 0.00 -1.84 -3.05 0.00 0.00 175.07 170.18 1jus n GLU 90 N -1.00 0.35 -3.58 1.09 0.28 -1.26 -4.78 120.64 111.73 1jus n GLU 90 Ca 0.13 -0.22 -0.32 0.00 -0.16 0.00 0.00 57.16 56.59 1jus n GLU 90 Cb 0.46 -1.50 -0.05 0.00 1.43 0.00 0.00 31.44 31.79 1jus n GLU 90 CO 0.00 0.00 0.00 0.71 -0.16 0.00 0.00 177.13 177.68 1jus s TYR 91 N -2.80 3.49 0.00 -1.84 1.51 -1.26 -4.60 117.35 111.85 1jus s TYR 91 Ca 0.16 0.70 0.00 0.00 -1.01 0.00 0.00 57.07 56.92 1jus s TYR 91 Cb 0.18 -2.11 0.00 0.00 -0.11 0.00 0.00 41.96 39.92 1jus s TYR 91 CO 0.65 0.41 0.00 0.98 -1.11 0.00 0.00 175.55 176.48 1jus n TYR 92 N 0.22 0.00 -0.32 2.71 4.19 -1.26 -4.33 117.16 118.37 1jus n TYR 92 Ca -0.03 0.00 0.19 0.00 3.31 0.00 0.00 57.90 61.37 1jus n TYR 92 Cb 0.52 0.00 0.44 0.00 0.49 0.00 0.00 39.34 40.79 1jus n TYR 92 CO 0.00 0.00 0.00 1.88 0.91 0.00 0.00 176.86 179.65 1jus h TYR 93 N 0.00 0.81 0.00 2.98 0.05 -1.88 0.57 116.97 119.49 1jus h TYR 93 Ca 0.00 0.03 0.00 0.00 0.05 0.00 0.00 58.73 58.81 1jus h TYR 93 Cb 0.00 -0.24 0.00 0.00 1.01 0.00 0.00 36.73 37.50 1jus h TYR 93 CO 0.00 0.12 0.00 -2.30 -1.05 0.00 0.00 178.16 174.93 1jus n PRO 94 N -4.69 0.12 -0.13 4.88 -0.02 -1.26 -2.66 135.00 131.24 1jus n PRO 94 Ca 0.24 0.40 0.12 0.00 -2.02 0.00 0.00 63.50 62.24 1jus n PRO 94 Cb 0.76 -1.75 0.24 0.00 -0.02 0.00 0.00 33.50 32.72 1jus n PRO 94 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 1jus n LEU 95 N -1.98 2.95 -0.12 2.45 4.77 0.19 -4.58 117.00 120.69 1jus n LEU 95 Ca 0.02 -1.20 -0.09 0.00 -0.03 0.00 0.00 56.01 54.71 1jus n LEU 95 Cb 0.18 -0.16 -0.03 0.00 -2.33 0.00 0.00 43.42 41.07 1jus n LEU 95 CO 0.16 0.60 0.60 1.56 -1.33 0.00 0.00 177.39 178.98 1jus h GLN 96 N 4.01 -0.29 -0.51 3.23 1.08 -1.57 0.14 115.11 121.21 1jus h GLN 96 Ca 0.00 0.02 0.05 0.00 -1.45 0.00 0.00 58.65 57.27 1jus h GLN 96 Cb 0.87 0.07 -0.09 0.00 -0.05 0.00 0.00 27.48 28.29 1jus h GLN 96 CO 0.00 -0.19 -0.54 -0.97 -0.95 0.00 0.00 178.83 176.18 1jus h ASN 97 N -0.30 -1.83 0.03 1.46 -1.24 -1.85 0.40 115.58 112.25 1jus h ASN 97 Ca 0.15 0.25 -0.01 0.00 0.71 0.00 0.00 56.30 57.41 1jus h ASN 97 Cb 0.57 0.76 -0.00 0.00 0.73 0.00 0.00 38.32 40.38 1jus h ASN 97 CO -0.56 -0.35 -0.03 0.00 -1.29 0.00 0.00 177.43 175.21 1jus h ALA 98 N -0.00 1.85 -0.02 1.57 0.00 -1.60 -2.53 119.26 118.53 1jus h ALA 98 Ca 0.09 -0.03 -0.18 0.00 0.00 0.00 0.00 54.91 54.79 1jus h ALA 98 Cb 0.53 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.30 1jus h ALA 98 CO -0.63 0.03 -0.80 0.82 0.00 0.00 0.00 179.25 178.67 1jus h ILE 99 N 0.00 1.46 0.00 0.00 2.04 0.25 -1.61 117.51 119.66 1jus h ILE 99 Ca -0.00 -2.44 -0.19 0.00 1.00 0.00 0.00 64.86 63.23 1jus h ILE 99 Cb 0.05 2.33 -0.02 0.00 -0.74 0.00 0.00 36.82 38.45 1jus h ILE 99 CO 0.00 0.71 -0.86 0.16 0.00 0.00 0.00 178.15 178.16 1jus h ILE 100 N 0.13 1.54 -0.00 -0.67 3.07 -0.35 -1.49 117.51 119.74 1jus h ILE 100 Ca -0.03 -2.73 -0.00 0.00 1.55 0.00 0.00 64.86 63.65 1jus h ILE 100 Cb 1.39 2.50 -0.00 0.00 -0.27 0.00 0.00 36.82 40.45 1jus h ILE 100 CO 0.12 0.79 0.00 -0.33 -1.05 0.00 0.00 178.15 177.68 1jus h GLU 101 N 0.06 0.00 -0.22 0.16 5.08 -1.42 -2.53 114.58 115.71 1jus h GLU 101 Ca -0.03 -0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.33 1jus h GLU 101 Cb 1.50 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.74 1jus h GLU 101 CO 0.12 0.19 0.12 0.35 -1.00 0.00 0.00 179.01 178.79 1jus h PHE 102 N -0.18 0.30 -0.59 4.33 3.04 -1.27 -2.54 116.94 120.03 1jus h PHE 102 Ca 0.00 -0.01 0.01 0.00 3.98 0.00 0.00 57.97 61.96 1jus h PHE 102 Cb 0.19 -0.09 -0.03 0.00 2.56 0.00 0.00 35.95 38.57 1jus h PHE 102 CO -0.01 0.26 0.39 -0.92 -2.02 0.00 0.00 178.31 176.01 1jus h TYR 103 N 0.25 0.72 -0.14 0.41 5.03 -1.24 -0.68 116.97 121.32 1jus h TYR 103 Ca 0.08 0.02 -0.19 0.00 2.58 0.00 0.00 58.73 61.22 1jus h TYR 103 Cb 0.06 -0.24 0.01 0.00 1.55 0.00 0.00 36.73 38.11 1jus h TYR 103 CO -0.04 0.45 -0.64 1.79 -1.32 0.00 0.00 178.16 178.40 1jus h THR 104 N 0.77 1.32 0.00 1.81 1.35 -1.30 0.20 112.91 117.06 1jus h THR 104 Ca 0.22 -1.88 -0.00 0.00 -0.55 0.00 0.00 66.41 64.20 1jus h THR 104 Cb -0.04 2.05 -0.00 0.00 -1.73 0.00 0.00 68.15 68.43 1jus h THR 104 CO -0.05 0.59 -0.01 -0.08 -0.25 0.00 0.00 175.52 175.71 1jus h GLU 105 N 0.36 0.00 0.00 4.72 4.81 -1.00 -3.15 114.58 120.32 1jus h GLU 105 Ca -0.04 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.19 1jus h GLU 105 Cb 1.27 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.65 1jus h GLU 105 CO 0.13 0.01 0.00 0.66 -0.73 0.00 0.00 179.01 179.08 1jus n TYR 106 N -3.12 0.00 -0.34 0.92 4.01 -0.31 -4.82 117.16 113.49 1jus n TYR 106 Ca -0.01 -0.39 -0.01 0.00 -0.16 0.00 0.00 57.90 57.33 1jus n TYR 106 Cb 0.21 -0.04 0.04 0.00 -0.31 0.00 0.00 39.34 39.24 1jus n TYR 106 CO 0.00 0.00 0.00 0.98 -0.46 0.00 0.00 176.86 177.38 1jus n TYR 107 N -0.39 0.04 -3.29 -0.72 -0.00 0.70 -3.00 117.16 110.50 1jus n TYR 107 Ca 0.00 1.11 -0.43 0.00 -0.00 0.00 0.00 57.90 58.58 1jus n TYR 107 Cb 0.26 -0.84 -0.01 0.00 -0.00 0.00 0.00 39.34 38.75 1jus n TYR 107 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 176.86 178.49 1jus n LYS 108 N -5.33 3.67 -2.88 2.98 4.76 -1.26 -4.53 118.16 115.57 1jus n LYS 108 Ca 0.09 -4.49 -0.12 0.00 -2.87 0.00 0.00 58.31 50.92 1jus n LYS 108 Cb 0.36 -2.52 0.04 0.00 -1.84 0.00 0.00 35.03 31.08 1jus n LYS 108 CO 0.00 0.00 0.00 2.41 -1.37 0.00 0.00 177.40 178.44 1jus n THR 109 N 2.22 -0.11 0.00 -0.18 -1.04 -1.16 -5.04 114.28 108.96 1jus n THR 109 Ca 0.24 -2.41 0.00 0.00 -2.04 0.00 0.00 64.05 59.84 1jus n THR 109 Cb 0.37 0.76 0.00 0.00 -1.82 0.00 0.00 70.33 69.64 1jus n THR 109 CO 0.00 0.00 0.00 0.59 -0.64 0.00 0.00 175.07 175.02 1jus n ASN 110 N 0.76 0.00 -0.36 8.00 5.03 -1.26 0.24 115.26 127.68 1jus n ASN 110 Ca 0.12 0.00 0.05 0.00 0.87 0.00 0.00 54.58 55.62 1jus n ASN 110 Cb 0.66 0.00 0.21 0.00 -1.02 0.00 0.00 39.78 39.63 1jus n ASN 110 CO 0.00 0.00 0.00 0.77 -1.83 0.00 0.00 177.26 176.20 1jus h SER 111 N 0.00 0.93 0.25 6.41 4.64 -1.97 0.38 113.55 124.19 1jus h SER 111 Ca 0.00 0.04 -0.34 0.00 -0.47 0.00 0.00 61.79 61.02 1jus h SER 111 Cb 0.00 -0.15 0.04 0.00 -0.31 0.00 0.00 62.40 61.97 1jus h SER 111 CO 0.00 0.53 -1.49 0.40 -0.87 0.00 0.00 176.83 175.40 1jus h ILE 112 N 1.03 1.26 -0.46 0.95 2.04 0.28 -2.95 117.51 119.65 1jus h ILE 112 Ca 0.47 -2.68 -0.12 0.00 1.00 0.00 0.00 64.86 63.53 1jus h ILE 112 Cb 0.37 3.03 -0.01 0.00 -0.74 0.00 0.00 36.82 39.47 1jus h ILE 112 CO -0.23 0.81 -0.19 -1.13 0.00 0.00 0.00 178.15 177.40 1jus h ASN 113 N 0.13 0.94 -0.26 1.72 -1.24 -1.11 -3.19 115.58 112.56 1jus h ASN 113 Ca -0.26 -0.34 -0.18 0.00 0.71 0.00 0.00 56.30 56.23 1jus h ASN 113 Cb 2.16 -0.26 0.00 0.00 0.73 0.00 0.00 38.32 40.95 1jus h ASN 113 CO 0.27 1.10 -0.55 -0.33 -1.29 0.00 0.00 177.43 176.63 1jus h GLU 114 N 0.80 0.83 -1.68 6.67 5.08 -0.39 0.19 114.58 126.09 1jus h GLU 114 Ca 0.11 -0.54 0.00 0.00 -1.00 0.00 0.00 59.36 57.93 1jus h GLU 114 Cb 0.74 0.07 0.00 0.00 0.50 0.00 0.00 28.75 30.06 1jus h GLU 114 CO 0.06 1.17 0.00 1.63 -1.00 0.00 0.00 179.01 180.87 1jus n LYS 115 N -4.04 0.83 0.00 2.33 4.76 -1.11 -1.87 118.16 119.05 1jus n LYS 115 Ca -0.05 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.39 1jus n LYS 115 Cb 0.63 -1.09 0.00 0.00 -1.84 0.00 0.00 35.03 32.73 1jus n LYS 115 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 1jus n ASN 117 N 1.20 0.00 -0.20 4.39 5.03 0.05 -3.28 115.26 122.44 1jus n ASN 117 Ca 0.00 0.00 -0.09 0.00 0.87 0.00 0.00 54.58 55.36 1jus n ASN 117 Cb 0.41 0.00 0.02 0.00 -1.02 0.00 0.00 39.78 39.19 1jus n ASN 117 CO 0.00 0.00 0.00 0.11 -1.83 0.00 0.00 177.26 175.54 1jus h LYS 118 N 0.00 0.99 -0.20 3.52 1.57 -1.63 -0.89 116.57 119.92 1jus h LYS 118 Ca 0.00 -0.29 -0.02 0.00 -1.87 0.00 0.00 60.65 58.47 1jus h LYS 118 Cb 0.00 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.20 1jus h LYS 118 CO 0.00 0.96 0.03 -0.07 -0.57 0.00 0.00 179.45 179.80 1jus h LEU 119 N 0.89 0.32 -0.71 2.94 3.38 -1.84 -2.77 115.31 117.51 1jus h LEU 119 Ca 0.17 -0.26 0.14 0.00 0.09 0.00 0.00 57.88 58.02 1jus h LEU 119 Cb 0.48 -0.09 -0.10 0.00 0.09 0.00 0.00 40.66 41.04 1jus h LEU 119 CO 0.02 0.50 0.21 -0.33 0.09 0.00 0.00 178.44 178.93 1jus h GLU 120 N 0.13 0.32 -0.70 1.13 4.39 -1.80 -1.21 114.58 116.84 1jus h GLU 120 Ca 0.06 -0.02 -0.04 0.00 0.34 0.00 0.00 59.36 59.71 1jus h GLU 120 Cb 0.32 -0.07 -0.03 0.00 -0.10 0.00 0.00 28.75 28.86 1jus h GLU 120 CO 0.00 0.21 0.29 -0.91 -1.16 0.00 0.00 179.01 177.44 1jus h ASN 121 N 0.33 0.94 -0.69 1.42 -0.26 -0.98 -2.52 115.58 113.82 1jus h ASN 121 Ca 0.39 -0.13 -0.03 0.00 -0.56 0.00 0.00 56.30 55.97 1jus h ASN 121 Cb 0.63 -0.24 -0.03 0.00 -1.06 0.00 0.00 38.32 37.62 1jus h ASN 121 CO -0.45 0.83 0.30 0.11 -1.06 0.00 0.00 177.43 177.16 1jus h LYS 122 N 1.01 1.01 0.00 0.81 1.57 -0.95 0.17 116.57 120.19 1jus h LYS 122 Ca 0.24 -0.17 -0.04 0.00 -1.87 0.00 0.00 60.65 58.81 1jus h LYS 122 Cb 0.18 -0.17 -0.01 0.00 0.08 0.00 0.00 32.23 32.31 1jus h LYS 122 CO -0.02 0.82 -0.18 1.88 -0.57 0.00 0.00 179.45 181.38 1jus h TYR 123 N 0.97 0.00 0.00 -1.35 -1.99 -1.30 -2.86 116.97 110.44 1jus h TYR 123 Ca 0.23 0.00 -0.18 0.00 2.00 0.00 0.00 58.73 60.78 1jus h TYR 123 Cb 0.17 0.00 -0.03 0.00 2.00 0.00 0.00 36.73 38.87 1jus h TYR 123 CO 0.01 0.18 -1.25 0.97 -0.00 0.00 0.00 178.16 178.07 1jus h ILE 124 N 0.00 0.75 0.00 -2.88 6.09 -0.97 -3.34 117.51 117.16 1jus h ILE 124 Ca -0.00 -2.31 -0.01 0.00 -1.37 0.00 0.00 64.86 61.17 1jus h ILE 124 Cb 0.66 2.26 -0.00 0.00 0.47 0.00 0.00 36.82 40.21 1jus h ILE 124 CO 0.02 0.43 -0.06 -0.78 -3.07 0.00 0.00 178.15 174.70 1jus h ASP 125 N 0.00 0.00 -0.70 2.19 3.58 -0.44 -2.20 116.42 118.85 1jus h ASP 125 Ca -0.14 0.00 -0.00 0.00 0.42 0.00 0.00 57.03 57.31 1jus h ASP 125 Cb 1.64 0.00 -0.03 0.00 1.72 0.00 0.00 39.33 42.66 1jus h ASP 125 CO 0.06 0.06 0.43 0.00 -2.88 0.00 0.00 179.24 176.91 1jus h ALA 126 N 1.94 0.89 0.01 -0.78 0.00 -1.68 0.52 119.26 120.16 1jus h ALA 126 Ca -0.00 -0.08 -0.20 0.00 0.00 0.00 0.00 54.91 54.64 1jus h ALA 126 Cb 0.14 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 1jus h ALA 126 CO 0.01 0.36 -0.88 1.88 0.00 0.00 0.00 179.25 180.61 1jus h TYR 127 N 0.95 0.24 0.00 0.00 0.05 -1.66 -2.86 116.97 113.70 1jus h TYR 127 Ca 0.25 -0.14 0.00 0.00 0.05 0.00 0.00 58.73 58.89 1jus h TYR 127 Cb -0.04 -0.03 -0.00 0.00 1.01 0.00 0.00 36.73 37.67 1jus h TYR 127 CO -0.01 0.96 -0.00 1.25 -1.05 0.00 0.00 178.16 179.30 1jus h HIS 128 N 0.09 -0.01 -0.54 4.88 2.76 -0.78 -1.27 115.15 120.28 1jus h HIS 128 Ca -0.04 0.00 0.01 0.00 -2.20 0.00 0.00 60.37 58.14 1jus h HIS 128 Cb 1.52 0.00 -0.03 0.00 1.55 0.00 0.00 27.41 30.45 1jus h HIS 128 CO 0.02 -0.01 0.35 0.28 -1.30 0.00 0.00 177.93 177.28 1jus h VAL 129 N -0.01 1.12 -0.29 5.26 2.07 -0.94 0.12 116.25 123.58 1jus h VAL 129 Ca 0.00 -0.25 0.03 0.00 0.82 0.00 0.00 66.70 67.30 1jus h VAL 129 Cb 0.01 0.35 -0.03 0.00 -1.52 0.00 0.00 31.29 30.10 1jus h VAL 129 CO -0.00 0.13 0.12 0.40 0.02 0.00 0.00 177.57 178.23 1jus h ILE 130 N 0.71 0.94 -0.21 4.57 2.04 -1.28 -2.03 117.51 122.26 1jus h ILE 130 Ca 0.20 -0.09 -0.11 0.00 1.00 0.00 0.00 64.86 65.86 1jus h ILE 130 Cb -0.07 0.67 -0.00 0.00 -0.74 0.00 0.00 36.82 36.68 1jus h ILE 130 CO -0.05 0.05 -0.31 -0.26 0.00 0.00 0.00 178.15 177.57 1jus h PHE 131 N 0.26 0.72 -0.09 1.37 0.04 -0.84 0.18 116.94 118.58 1jus h PHE 131 Ca 0.13 -0.24 0.01 0.00 2.80 0.00 0.00 57.97 60.67 1jus h PHE 131 Cb 0.08 -0.14 -0.01 0.00 2.20 0.00 0.00 35.95 38.08 1jus h PHE 131 CO -0.12 0.97 0.01 -0.22 -0.60 0.00 0.00 178.31 178.34 1jus h LYS 132 N 0.26 0.04 -0.62 1.51 3.64 -0.75 -0.90 116.57 119.74 1jus h LYS 132 Ca 0.02 -0.00 -0.04 0.00 -1.27 0.00 0.00 60.65 59.36 1jus h LYS 132 Cb 0.89 -0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 32.68 1jus h LYS 132 CO 0.07 0.02 0.23 0.93 -2.27 0.00 0.00 179.45 178.44 1jus h GLU 133 N 0.04 0.94 -0.46 1.90 3.07 -1.38 -1.21 114.58 117.48 1jus h GLU 133 Ca 0.04 -0.18 0.11 0.00 -0.50 0.00 0.00 59.36 58.82 1jus h GLU 133 Cb 0.04 -0.15 -0.02 0.00 -0.84 0.00 0.00 28.75 27.78 1jus h GLU 133 CO -0.06 0.81 0.32 0.78 -1.40 0.00 0.00 179.01 179.45 1jus h GLY 134 N 0.88 0.21 0.00 -3.84 0.00 -0.60 -2.75 103.07 96.97 1jus h GLY 134 Ca 0.21 -0.06 0.00 0.00 0.00 0.00 0.00 47.33 47.47 1jus h GLY 134 CO -0.01 0.04 0.00 0.70 0.00 0.00 0.00 176.54 177.26 1jus n ASN 135 N -4.44 0.00 -1.41 0.19 3.02 -0.37 -1.29 115.26 110.95 1jus n ASN 135 Ca 0.07 0.67 0.00 0.00 -0.03 0.00 0.00 54.58 55.29 1jus n ASN 135 Cb 0.43 -0.28 0.00 0.00 -0.61 0.00 0.00 39.78 39.31 1jus n ASN 135 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1jus n LEU 136 N -1.35 1.64 0.00 3.41 -0.00 -0.99 -0.13 117.00 119.57 1jus n LEU 136 Ca 0.00 -0.76 0.00 0.00 -0.00 0.00 0.00 56.01 55.25 1jus n LEU 136 Cb 0.00 -0.32 0.00 0.00 -0.00 0.00 0.00 43.42 43.10 1jus n LEU 136 CO 0.00 0.30 0.15 0.59 -0.00 0.00 0.00 177.39 178.42 1jus n ASN 137 N 1.32 0.00 -2.94 1.45 3.02 -1.05 -5.03 115.26 112.02 1jus n ASN 137 Ca 0.00 -1.00 -0.21 0.00 -0.03 0.00 0.00 54.58 53.34 1jus n ASN 137 Cb 0.19 0.00 0.02 0.00 -0.61 0.00 0.00 39.78 39.38 1jus n ASN 137 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1jus n GLY 138 N 0.00 -0.51 0.05 7.41 0.00 0.81 -4.85 105.19 108.10 1jus n GLY 138 Ca 0.00 0.09 0.11 0.00 0.00 0.00 0.00 46.02 46.22 1jus n GLY 138 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1jus n GLU 139 N -3.69 0.43 -3.86 1.61 1.02 -0.41 -5.00 120.64 110.74 1jus n GLU 139 Ca -0.11 -0.01 0.04 0.00 -0.02 0.00 0.00 57.16 57.05 1jus n GLU 139 Cb 0.61 -1.63 0.01 0.00 -0.02 0.00 0.00 31.44 30.40 1jus n GLU 139 CO 0.00 0.00 0.00 1.67 1.18 0.00 0.00 177.13 179.98 1jus s TRP 140 N -3.29 0.00 -0.10 -0.32 -2.14 -1.23 -5.04 118.94 106.82 1jus s TRP 140 Ca 0.01 -0.04 -0.01 0.00 2.66 0.00 0.00 56.10 58.71 1jus s TRP 140 Cb 0.13 0.52 0.03 0.00 -3.10 0.00 0.00 33.47 31.05 1jus s TRP 140 CO 0.82 -0.10 -0.01 0.45 -2.66 0.00 0.00 176.95 175.45 1jus s SER 141 N -3.58 1.91 -0.19 -2.66 0.15 -1.26 -4.31 113.70 103.75 1jus s SER 141 Ca 0.25 -0.24 -0.02 0.00 0.70 0.00 0.00 55.95 56.64 1jus s SER 141 Cb 0.02 -0.54 -0.01 0.00 -1.71 0.00 0.00 66.02 63.79 1jus s SER 141 CO -0.04 -0.20 -0.08 -0.63 1.20 0.00 0.00 173.24 173.49 1jus s ILE 142 N 1.90 3.13 0.00 6.45 1.01 -1.26 -4.82 121.20 127.61 1jus s ILE 142 Ca 0.04 -0.59 0.00 0.00 0.00 0.00 0.00 60.65 60.10 1jus s ILE 142 Cb -0.13 -2.39 0.00 0.00 0.01 0.00 0.00 42.46 39.95 1jus s ILE 142 CO -0.06 0.46 0.50 -0.46 0.00 0.00 0.00 174.94 175.38 1jus n ASN 143 N 4.48 0.00 -4.17 3.58 6.94 -1.26 -4.46 115.26 120.37 1jus n ASN 143 Ca -0.19 0.50 -0.34 0.00 -0.02 0.00 0.00 54.58 54.53 1jus n ASN 143 Cb 0.51 0.00 -0.14 0.00 -2.36 0.00 0.00 39.78 37.79 1jus n ASN 143 CO 0.00 0.00 0.00 -0.62 -1.03 0.00 0.00 177.26 175.61 1jus s ASP 144 N -2.63 4.34 0.00 0.53 2.15 -1.26 -5.02 116.67 114.78 1jus s ASP 144 Ca 0.00 -1.00 -0.13 0.00 0.43 0.00 0.00 52.55 51.86 1jus s ASP 144 Cb 0.00 -1.64 -0.07 0.00 -0.30 0.00 0.00 42.92 40.91 1jus s ASP 144 CO 0.00 -0.15 0.83 0.58 -0.17 0.00 0.00 175.17 176.26 1jus h VAL 145 N 6.26 0.00 -1.28 1.11 2.07 -2.00 -2.84 116.25 119.58 1jus h VAL 145 Ca -0.30 -0.19 0.43 0.00 0.82 0.00 0.00 66.70 67.46 1jus h VAL 145 Cb 1.09 0.00 -0.13 0.00 -1.52 0.00 0.00 31.29 30.73 1jus h VAL 145 CO 0.56 0.00 0.82 -1.13 0.02 0.00 0.00 177.57 177.83 1jus h ASN 146 N -0.65 0.26 0.63 0.57 -1.24 -1.95 0.77 115.58 113.96 1jus h ASN 146 Ca -0.05 0.14 -0.03 0.00 0.71 0.00 0.00 56.30 57.08 1jus h ASN 146 Cb 0.36 0.13 0.01 0.00 0.73 0.00 0.00 38.32 39.54 1jus h ASN 146 CO 0.08 -0.19 -0.30 0.00 -1.29 0.00 0.00 177.43 175.73 1jus h ALA 147 N 1.63 -0.87 -0.63 1.57 0.00 -1.99 -1.31 119.26 117.65 1jus h ALA 147 Ca 0.81 -0.18 0.05 0.00 0.00 0.00 0.00 54.91 55.59 1jus h ALA 147 Cb 2.50 0.33 -0.04 0.00 0.00 0.00 0.00 17.79 20.57 1jus h ALA 147 CO -0.44 -0.81 0.42 0.28 0.00 0.00 0.00 179.25 178.69 1jus h VAL 148 N -1.18 1.03 -0.34 0.00 2.07 -0.45 0.07 116.25 117.45 1jus h VAL 148 Ca -0.09 -0.23 -0.00 0.00 0.82 0.00 0.00 66.70 67.20 1jus h VAL 148 Cb 0.64 0.31 -0.02 0.00 -1.52 0.00 0.00 31.29 30.70 1jus h VAL 148 CO 0.14 0.12 0.20 0.28 0.02 0.00 0.00 177.57 178.33 1jus h SER 149 N 0.67 0.42 -0.49 0.57 0.02 0.45 0.26 113.55 115.45 1jus h SER 149 Ca 0.27 -0.07 -0.01 0.00 -0.84 0.00 0.00 61.79 61.14 1jus h SER 149 Cb 0.21 -0.11 -0.02 0.00 0.14 0.00 0.00 62.40 62.62 1jus h SER 149 CO -0.08 0.36 0.25 0.11 -1.14 0.00 0.00 176.83 176.34 1jus h LYS 150 N 0.44 0.69 0.02 3.45 1.57 0.03 -2.09 116.57 120.68 1jus h LYS 150 Ca 0.12 -0.09 0.02 0.00 -1.87 0.00 0.00 60.65 58.83 1jus h LYS 150 Cb 0.03 -0.13 -0.02 0.00 0.08 0.00 0.00 32.23 32.19 1jus h LYS 150 CO -0.02 0.56 -0.11 0.82 -0.57 0.00 0.00 179.45 180.13 1jus h ILE 151 N 0.65 0.74 0.17 1.86 2.04 -0.68 -2.25 117.51 120.02 1jus h ILE 151 Ca 0.17 0.00 0.01 0.00 1.00 0.00 0.00 64.86 66.04 1jus h ILE 151 Cb 0.08 0.74 -0.04 0.00 -0.74 0.00 0.00 36.82 36.85 1jus h ILE 151 CO -0.03 0.00 -0.43 0.00 0.00 0.00 0.00 178.15 177.70 1jus h ALA 152 N 0.76 -0.80 -0.15 1.87 0.00 -0.79 -0.27 119.26 119.88 1jus h ALA 152 Ca 0.03 -0.09 0.02 0.00 0.00 0.00 0.00 54.91 54.88 1jus h ALA 152 Cb 0.23 0.71 -0.05 0.00 0.00 0.00 0.00 17.79 18.68 1jus h ALA 152 CO -0.09 -1.01 -0.36 0.00 0.00 0.00 0.00 179.25 177.79 1jus h ALA 153 N -0.26 -0.70 -0.47 0.00 0.00 -1.27 0.21 119.26 116.76 1jus h ALA 153 Ca 0.01 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 1jus h ALA 153 Cb 0.70 0.90 -0.02 0.00 0.00 0.00 0.00 17.79 19.37 1jus h ALA 153 CO -0.22 -0.84 0.22 -0.91 0.00 0.00 0.00 179.25 177.49 1jus h ASN 154 N -0.35 0.60 -0.43 0.00 2.35 -1.36 0.12 115.58 116.51 1jus h ASN 154 Ca 0.03 -0.06 -0.09 0.00 -0.55 0.00 0.00 56.30 55.63 1jus h ASN 154 Cb 0.43 -0.15 -0.01 0.00 0.05 0.00 0.00 38.32 38.63 1jus h ASN 154 CO -0.32 0.52 -0.09 0.00 -1.65 0.00 0.00 177.43 175.89 1jus h ALA 155 N 1.57 0.59 -0.48 -0.83 0.00 -0.53 -1.03 119.26 118.56 1jus h ALA 155 Ca 0.17 -0.32 -0.12 0.00 0.00 0.00 0.00 54.91 54.64 1jus h ALA 155 Cb 0.09 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 1jus h ALA 155 CO -0.02 0.47 -0.15 0.28 0.00 0.00 0.00 179.25 179.82 1jus h VAL 156 N 0.66 1.27 -0.95 0.00 2.07 -0.08 -1.92 116.25 117.29 1jus h VAL 156 Ca 0.11 -1.30 0.06 0.00 0.82 0.00 0.00 66.70 66.39 1jus h VAL 156 Cb 0.62 1.10 -0.06 0.00 -1.52 0.00 0.00 31.29 31.44 1jus h VAL 156 CO 0.04 0.45 0.62 -1.13 0.02 0.00 0.00 177.57 177.57 1jus h ASN 157 N 0.80 0.99 -0.11 0.57 -0.73 -0.63 0.69 115.58 117.17 1jus h ASN 157 Ca 0.12 0.00 0.04 0.00 1.87 0.00 0.00 56.30 58.33 1jus h ASN 157 Cb 0.72 -0.21 -0.04 0.00 0.27 0.00 0.00 38.32 39.06 1jus h ASN 157 CO 0.05 0.64 -0.14 1.23 -0.37 0.00 0.00 177.43 178.84 1jus h GLY 158 N 1.12 -0.09 0.99 1.57 0.00 -0.41 0.39 103.07 106.65 1jus h GLY 158 Ca 0.40 0.17 -0.05 0.00 0.00 0.00 0.00 47.33 47.85 1jus h GLY 158 CO -0.15 -0.14 0.14 -2.22 0.00 0.00 0.00 176.54 174.17 1jus h ILE 159 N -0.19 1.24 -0.07 2.60 2.04 -0.94 0.12 117.51 122.32 1jus h ILE 159 Ca 0.08 -0.86 -0.00 0.00 1.00 0.00 0.00 64.86 65.09 1jus h ILE 159 Cb 0.31 0.77 -0.00 0.00 -0.74 0.00 0.00 36.82 37.15 1jus h ILE 159 CO -0.22 0.31 0.04 0.58 0.00 0.00 0.00 178.15 178.87 1jus h VAL 160 N 0.76 1.09 0.00 1.67 2.07 -0.43 -3.19 116.25 118.22 1jus h VAL 160 Ca 0.17 -0.26 0.00 0.00 0.82 0.00 0.00 66.70 67.43 1jus h VAL 160 Cb 0.33 1.13 0.00 0.00 -1.52 0.00 0.00 31.29 31.23 1jus h VAL 160 CO 0.00 0.08 -0.33 1.07 0.02 0.00 0.00 177.57 178.41 1jus n THR 161 N -4.99 0.18 -1.08 2.57 5.66 0.13 -4.02 114.28 112.74 1jus n THR 161 Ca -0.06 -0.12 -0.01 0.00 -3.05 0.00 0.00 64.05 60.81 1jus n THR 161 Cb 0.08 -0.17 0.29 0.00 -1.55 0.00 0.00 70.33 68.97 1jus n THR 161 CO 0.00 0.00 0.00 0.49 -3.05 0.00 0.00 175.07 172.51 1jus n PHE 162 N -1.78 1.89 -2.16 1.09 3.01 0.42 -4.19 117.46 115.74 1jus n PHE 162 Ca 0.05 -1.15 -0.02 0.00 1.01 0.00 0.00 57.45 57.34 1jus n PHE 162 Cb 0.38 -0.56 -0.03 0.00 -0.01 0.00 0.00 39.48 39.25 1jus n PHE 162 CO 0.00 0.00 0.00 0.25 1.01 0.00 0.00 176.76 178.02 1jus n THR 163 N -0.33 0.00 0.31 4.37 -2.24 -1.22 -4.97 114.28 110.20 1jus n THR 163 Ca 0.35 -0.32 0.20 0.00 -2.27 0.00 0.00 64.05 62.01 1jus n THR 163 Cb 1.21 0.61 0.97 0.00 -2.10 0.00 0.00 70.33 71.03 1jus n THR 163 CO 0.00 0.00 0.00 -0.74 -0.57 0.00 0.00 175.07 173.76 1jus h HIS 164 N 0.32 0.00 0.22 4.78 2.76 -1.73 -2.96 115.15 118.54 1jus h HIS 164 Ca -0.38 0.00 -0.32 0.00 -2.20 0.00 0.00 60.37 57.47 1jus h HIS 164 Cb 1.53 0.00 0.03 0.00 1.55 0.00 0.00 27.41 30.52 1jus h HIS 164 CO -0.07 0.01 -1.44 1.05 -1.30 0.00 0.00 177.93 176.18 1jus h GLU 165 N 0.00 0.46 -6.72 5.26 -0.00 -1.93 -3.48 114.58 108.17 1jus h GLU 165 Ca -0.00 -0.79 -0.47 0.00 -0.00 0.00 0.00 59.36 58.10 1jus h GLU 165 Cb 0.23 0.29 0.23 0.00 -0.00 0.00 0.00 28.75 29.50 1jus h GLU 165 CO 0.00 1.38 -0.93 1.04 -0.00 0.00 0.00 179.01 180.49 1jus n GLN 166 N -3.66 -1.39 -2.15 1.06 6.02 -1.12 -4.93 117.38 111.22 1jus n GLN 166 Ca -0.15 -0.38 -0.42 0.00 -0.01 0.00 0.00 57.00 56.03 1jus n GLN 166 Cb 1.08 -1.75 -0.03 0.00 1.02 0.00 0.00 30.24 30.56 1jus n GLN 166 CO 0.00 0.00 0.00 1.21 -1.01 0.00 0.00 177.06 177.26 1jus s ASN 167 N -1.90 6.79 0.20 1.08 2.47 -1.26 -4.90 114.94 117.41 1jus s ASN 167 Ca 0.57 2.19 -0.22 0.00 0.42 0.00 0.00 52.86 55.82 1jus s ASN 167 Cb -0.14 -2.56 0.13 0.00 -1.45 0.00 0.00 41.25 37.22 1jus s ASN 167 CO 0.66 -0.77 1.55 0.40 -3.72 0.00 0.00 177.10 175.23 1jus h ILE 168 N 4.94 0.03 0.00 -5.21 5.03 -1.96 0.43 117.51 120.77 1jus h ILE 168 Ca -0.39 0.00 0.00 0.00 -0.12 0.00 0.00 64.86 64.35 1jus h ILE 168 Cb 1.18 0.03 0.00 0.00 -3.03 0.00 0.00 36.82 35.00 1jus h ILE 168 CO 0.91 0.00 0.00 -1.13 -0.68 0.00 0.00 178.15 177.25 1jus h ASN 169 N -0.05 0.00 0.24 1.72 -1.24 -2.00 -1.74 115.58 112.51 1jus h ASN 169 Ca 0.27 0.00 -0.34 0.00 0.71 0.00 0.00 56.30 56.93 1jus h ASN 169 Cb 0.55 0.00 0.03 0.00 0.73 0.00 0.00 38.32 39.62 1jus h ASN 169 CO -0.90 0.00 -1.59 -0.08 -1.29 0.00 0.00 177.43 173.56 1jus h GLU 170 N 0.00 0.49 -0.78 6.67 4.22 -0.58 -3.17 114.58 121.43 1jus h GLU 170 Ca 0.00 -0.84 -0.05 0.00 0.08 0.00 0.00 59.36 58.55 1jus h GLU 170 Cb 0.16 0.31 -0.03 0.00 0.50 0.00 0.00 28.75 29.69 1jus h GLU 170 CO 0.00 1.40 0.28 0.00 -2.18 0.00 0.00 179.01 178.51 1jus h ARG 171 N 0.13 1.18 0.00 1.92 3.08 -0.41 -2.10 114.38 118.18 1jus h ARG 171 Ca -0.29 -0.23 -0.03 0.00 0.07 0.00 0.00 59.98 59.50 1jus h ARG 171 Cb 2.15 -0.18 -0.00 0.00 0.08 0.00 0.00 29.97 32.01 1jus h ARG 171 CO 0.24 0.98 -0.12 0.82 -1.07 0.00 0.00 179.97 180.82 1jus h ILE 172 N 1.14 1.00 -0.06 2.04 2.04 -1.42 -2.68 117.51 119.58 1jus h ILE 172 Ca 0.26 -0.42 -0.07 0.00 1.00 0.00 0.00 64.86 65.62 1jus h ILE 172 Cb 0.26 1.23 0.00 0.00 -0.74 0.00 0.00 36.82 37.58 1jus h ILE 172 CO -0.02 0.12 -0.25 0.11 0.00 0.00 0.00 178.15 178.11 1jus h LYS 173 N 0.00 0.27 -1.74 2.37 1.57 -1.36 -2.50 116.57 115.18 1jus h LYS 173 Ca -0.00 -0.21 0.00 0.00 -1.87 0.00 0.00 60.65 58.57 1jus h LYS 173 Cb 0.22 0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.58 1jus h LYS 173 CO 0.02 0.86 0.00 1.28 -0.57 0.00 0.00 179.45 181.03 1jus n LEU 174 N -4.50 0.00 0.00 2.94 4.77 -1.01 -1.67 117.00 117.53 1jus n LEU 174 Ca -0.08 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.90 1jus n LEU 174 Cb 0.46 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.55 1jus n LEU 174 CO 0.40 0.00 0.00 0.59 -1.33 0.00 0.00 177.39 177.05 1jus n ASN 176 N 0.91 0.00 0.01 -1.43 3.02 -0.94 -1.36 115.26 115.46 1jus n ASN 176 Ca 0.00 0.00 0.03 0.00 -0.03 0.00 0.00 54.58 54.58 1jus n ASN 176 Cb 0.00 0.00 0.40 0.00 -0.61 0.00 0.00 39.78 39.57 1jus n ASN 176 CO 0.00 0.00 0.00 0.50 -2.62 0.00 0.00 177.26 175.14 1jus h LYS 177 N 0.00 0.52 0.35 3.52 1.63 -1.61 -0.31 116.57 120.67 1jus h LYS 177 Ca 0.00 -0.05 -0.02 0.00 -0.85 0.00 0.00 60.65 59.73 1jus h LYS 177 Cb 0.00 -0.11 0.00 0.00 -0.60 0.00 0.00 32.23 31.53 1jus h LYS 177 CO 0.00 0.39 -0.17 0.35 -3.45 0.00 0.00 179.45 176.57 1jus h PHE 178 N 0.53 -0.43 -1.00 1.91 3.57 -1.48 -0.68 116.94 119.36 1jus h PHE 178 Ca 0.14 -0.01 0.20 0.00 3.53 0.00 0.00 57.97 61.83 1jus h PHE 178 Cb 0.03 0.14 -0.11 0.00 2.79 0.00 0.00 35.95 38.81 1jus h PHE 178 CO 0.00 -0.11 0.61 0.77 -2.23 0.00 0.00 178.31 177.35 1jus h SER 179 N -0.77 0.74 0.46 0.41 0.02 -1.70 0.20 113.55 112.91 1jus h SER 179 Ca -0.05 0.10 -0.02 0.00 -0.84 0.00 0.00 61.79 60.98 1jus h SER 179 Cb 0.51 -0.03 0.00 0.00 0.14 0.00 0.00 62.40 63.02 1jus h SER 179 CO 0.08 0.25 -0.22 -0.61 -1.14 0.00 0.00 176.83 175.18 1jus h GLN 180 N 0.71 -0.60 -0.73 3.45 4.15 -0.97 -0.39 115.11 120.73 1jus h GLN 180 Ca 0.58 0.04 0.13 0.00 0.77 0.00 0.00 58.65 60.17 1jus h GLN 180 Cb 0.97 0.14 -0.13 0.00 0.21 0.00 0.00 27.48 28.67 1jus h GLN 180 CO -0.37 -0.40 -0.29 0.82 -1.93 0.00 0.00 178.83 176.66 1jus h ILE 181 N -0.88 0.17 0.48 2.39 2.04 -0.67 0.21 117.51 121.25 1jus h ILE 181 Ca -0.06 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 65.77 1jus h ILE 181 Cb 0.48 0.17 0.00 0.00 -0.74 0.00 0.00 36.82 36.73 1jus h ILE 181 CO 0.10 0.00 -0.23 0.15 0.00 0.00 0.00 178.15 178.17 1jus h PHE 182 N -0.07 -0.60 0.00 1.37 3.04 -0.65 -1.83 116.94 118.21 1jus h PHE 182 Ca 0.31 -0.01 -0.02 0.00 3.98 0.00 0.00 57.97 62.23 1jus h PHE 182 Cb 0.57 0.20 -0.00 0.00 2.56 0.00 0.00 35.95 39.27 1jus h PHE 182 CO -0.66 -0.35 -0.08 1.25 -2.02 0.00 0.00 178.31 176.44 1jus h LEU 183 N -0.68 0.00 0.86 0.59 5.85 -0.48 -2.54 115.31 118.91 1jus h LEU 183 Ca -0.07 0.00 -0.04 0.00 0.84 0.00 0.00 57.88 58.61 1jus h LEU 183 Cb 0.51 0.00 0.01 0.00 0.37 0.00 0.00 40.66 41.55 1jus h LEU 183 CO 0.11 0.08 -0.41 -1.13 -0.34 0.00 0.00 178.44 176.75 1jus h ASN 184 N 0.00 -0.97 0.00 1.25 -0.00 -0.20 -3.01 115.58 112.65 1jus h ASN 184 Ca -0.00 0.03 0.00 0.00 -0.00 0.00 0.00 56.30 56.33 1jus h ASN 184 Cb 0.17 0.25 0.00 0.00 -0.00 0.00 0.00 38.32 38.75 1jus h ASN 184 CO 0.01 -0.62 0.00 0.61 -0.00 0.00 0.00 177.43 177.43 1jus n GLY 185 N -1.15 0.00 0.75 1.57 0.00 -0.72 -3.23 105.19 102.40 1jus n GLY 185 Ca -0.14 0.00 0.06 0.00 0.00 0.00 0.00 46.02 45.93 1jus n GLY 185 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1jus n LEU 186 N 0.90 1.98 0.00 0.99 4.77 -1.14 -5.07 117.00 119.43 1jus n LEU 186 Ca 0.00 -3.04 0.00 0.00 -0.03 0.00 0.00 56.01 52.94 1jus n LEU 186 Cb 0.00 -0.33 0.00 0.00 -2.33 0.00 0.00 43.42 40.76 1jus n LEU 186 CO 0.00 0.97 0.00 -0.24 -1.33 0.00 0.00 177.39 176.79