#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jus n LEU 3 N 0.00 0.00 0.23 3.41 7.99 -1.26 -4.59 117.00 122.77 1jus n LEU 3 Ca 0.00 0.00 0.10 0.00 -0.01 0.00 0.00 56.01 56.10 1jus n LEU 3 Cb 0.00 0.00 0.51 0.00 -0.11 0.00 0.00 43.42 43.82 1jus n LEU 3 CO 0.00 0.00 0.83 0.07 -1.51 0.00 0.00 177.39 176.78 1jus h LYS 4 N 0.00 0.00 0.11 3.23 2.10 -2.00 -0.98 116.57 119.04 1jus h LYS 4 Ca 0.00 0.00 -0.16 0.00 -2.00 0.00 0.00 60.65 58.49 1jus h LYS 4 Cb 0.00 0.00 0.02 0.00 -0.90 0.00 0.00 32.23 31.35 1jus h LYS 4 CO 0.00 0.23 -0.69 -0.44 -2.00 0.00 0.00 179.45 176.55 1jus h ASP 5 N 0.00 0.41 -0.22 7.07 5.19 -1.98 -1.07 116.42 125.83 1jus h ASP 5 Ca -0.00 -0.94 0.05 0.00 -0.62 0.00 0.00 57.03 55.52 1jus h ASP 5 Cb 0.65 -0.13 -0.05 0.00 0.18 0.00 0.00 39.33 39.98 1jus h ASP 5 CO 0.03 1.32 -0.13 0.50 -3.12 0.00 0.00 179.24 177.84 1jus h LYS 6 N -0.43 -0.11 0.48 3.56 1.63 -1.74 0.60 116.57 120.56 1jus h LYS 6 Ca -0.12 0.01 -0.02 0.00 -0.85 0.00 0.00 60.65 59.67 1jus h LYS 6 Cb 1.53 0.03 -0.00 0.00 -0.60 0.00 0.00 32.23 33.18 1jus h LYS 6 CO 0.13 -0.07 -0.29 0.82 -3.45 0.00 0.00 179.45 176.59 1jus h ILE 7 N -0.12 0.41 -0.62 2.00 2.04 -1.25 0.43 117.51 120.40 1jus h ILE 7 Ca 0.12 0.00 0.17 0.00 1.00 0.00 0.00 64.86 66.15 1jus h ILE 7 Cb 0.30 0.41 -0.03 0.00 -0.74 0.00 0.00 36.82 36.76 1jus h ILE 7 CO -0.29 0.00 0.44 -0.07 0.00 0.00 0.00 178.15 178.23 1jus h LEU 8 N -0.72 0.06 0.13 1.44 3.38 -0.64 0.11 115.31 119.06 1jus h LEU 8 Ca -0.06 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.91 1jus h LEU 8 Cb 0.59 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.33 1jus h LEU 8 CO 0.06 0.03 -0.06 1.23 0.09 0.00 0.00 178.44 179.79 1jus h GLY 9 N 0.06 -0.19 1.21 0.83 0.00 0.13 -2.29 103.07 102.83 1jus h GLY 9 Ca 0.30 0.07 -0.03 0.00 0.00 0.00 0.00 47.33 47.67 1jus h GLY 9 CO -0.02 -0.07 0.33 -2.08 0.00 0.00 0.00 176.54 174.70 1jus h VAL 10 N -0.95 1.23 -0.00 4.60 2.07 0.15 -2.56 116.25 120.78 1jus h VAL 10 Ca -0.02 -0.66 -0.00 0.00 0.82 0.00 0.00 66.70 66.84 1jus h VAL 10 Cb 0.46 0.33 -0.00 0.00 -1.52 0.00 0.00 31.29 30.56 1jus h VAL 10 CO 0.03 0.28 0.00 0.00 0.02 0.00 0.00 177.57 177.90 1jus h ALA 11 N 1.35 0.00 -0.47 1.67 0.00 -0.90 -1.30 119.26 119.62 1jus h ALA 11 Ca 0.25 -0.08 0.10 0.00 0.00 0.00 0.00 54.91 55.17 1jus h ALA 11 Cb 0.12 -0.00 -0.09 0.00 0.00 0.00 0.00 17.79 17.82 1jus h ALA 11 CO -0.03 -0.41 -0.13 -0.22 0.00 0.00 0.00 179.25 178.46 1jus h LYS 12 N -0.16 -0.02 -0.64 0.00 3.64 -1.18 0.71 116.57 118.93 1jus h LYS 12 Ca 0.00 0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 59.36 1jus h LYS 12 Cb 0.16 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 31.96 1jus h LYS 12 CO -0.00 -0.01 0.30 1.49 -2.27 0.00 0.00 179.45 178.96 1jus h GLU 13 N -0.02 0.93 -0.33 1.90 4.57 -1.31 -0.27 114.58 120.04 1jus h GLU 13 Ca 0.23 -0.14 -0.10 0.00 -1.18 0.00 0.00 59.36 58.17 1jus h GLU 13 Cb 0.36 -0.16 -0.02 0.00 -0.16 0.00 0.00 28.75 28.77 1jus h GLU 13 CO -0.49 0.74 -0.20 -0.07 -1.18 0.00 0.00 179.01 177.81 1jus h LEU 14 N 0.88 0.62 -0.83 1.64 3.38 -0.49 -2.16 115.31 118.36 1jus h LEU 14 Ca 0.22 -0.20 -0.12 0.00 0.09 0.00 0.00 57.88 57.86 1jus h LEU 14 Cb 0.13 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.70 1jus h LEU 14 CO -0.03 0.83 -0.47 -0.26 0.09 0.00 0.00 178.44 178.60 1jus h PHE 15 N 0.55 0.33 -0.01 1.13 0.05 -0.53 -0.22 116.94 118.25 1jus h PHE 15 Ca 0.09 -0.10 -0.08 0.00 3.82 0.00 0.00 57.97 61.69 1jus h PHE 15 Cb 0.65 -0.07 -0.01 0.00 2.00 0.00 0.00 35.95 38.52 1jus h PHE 15 CO 0.03 0.70 -0.39 0.82 -0.18 0.00 0.00 178.31 179.28 1jus h ILE 16 N 0.22 1.28 0.00 -0.55 1.08 -0.58 -2.62 117.51 116.35 1jus h ILE 16 Ca 0.01 -1.36 0.00 0.00 -0.39 0.00 0.00 64.86 63.13 1jus h ILE 16 Cb 0.91 1.72 0.00 0.00 -3.07 0.00 0.00 36.82 36.38 1jus h ILE 16 CO 0.07 0.39 -0.94 0.29 -0.69 0.00 0.00 178.15 177.28 1jus n LYS 17 N -4.07 2.10 -0.01 2.37 4.76 -0.86 -4.71 118.16 117.74 1jus n LYS 17 Ca -0.02 -0.04 0.01 0.00 -2.87 0.00 0.00 58.31 55.39 1jus n LYS 17 Cb 0.43 -1.07 -0.04 0.00 -1.84 0.00 0.00 35.03 32.51 1jus n LYS 17 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 1jus n ASN 18 N -1.52 3.83 0.00 4.39 3.02 -0.11 -5.10 115.26 119.77 1jus n ASN 18 Ca -0.00 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.55 1jus n ASN 18 Cb 0.19 1.03 0.00 0.00 -0.61 0.00 0.00 39.78 40.39 1jus n ASN 18 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1jus n GLY 19 N 2.37 0.66 0.05 7.41 0.00 -0.99 -4.46 105.19 110.23 1jus n GLY 19 Ca -0.03 -2.09 -0.02 0.00 0.00 0.00 0.00 46.02 43.88 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 -0.09 -1.26 1.61 3.20 -1.79 -3.27 116.97 115.37 1jus h TYR 20 Ca 0.00 -0.00 0.36 0.00 3.14 0.00 0.00 58.73 62.23 1jus h TYR 20 Cb 0.00 0.03 -0.05 0.00 1.54 0.00 0.00 36.73 38.25 1jus h TYR 20 CO 0.00 -0.06 0.90 -0.91 -1.64 0.00 0.00 178.16 176.46 1jus h ASN 21 N -0.34 0.00 0.51 -2.11 2.35 -1.91 -1.10 115.58 112.98 1jus h ASN 21 Ca -0.01 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.74 1jus h ASN 21 Cb 0.08 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.45 1jus h ASN 21 CO 0.02 0.00 -0.21 0.00 -1.65 0.00 0.00 177.43 175.58 1jus n ALA 22 N -2.78 2.93 -2.92 -0.83 0.00 -1.25 -4.79 120.51 110.86 1jus n ALA 22 Ca 0.27 -0.27 -0.35 0.00 0.00 0.00 0.00 53.44 53.09 1jus n ALA 22 Cb 1.31 -1.28 -0.11 0.00 0.00 0.00 0.00 19.45 19.37 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 -2.72 4.46 0.11 0.00 2.01 -0.42 -4.97 115.64 114.11 1jus s THR 23 Ca 0.21 -0.14 0.06 0.00 0.31 0.00 0.00 61.69 62.12 1jus s THR 23 Cb 0.19 -3.03 -0.04 0.00 0.01 0.00 0.00 72.50 69.63 1jus s THR 23 CO 0.55 0.42 -0.03 0.42 -0.69 0.00 0.00 174.62 175.29 1jus s THR 24 N 0.84 3.79 0.36 -0.82 -4.23 -1.26 -4.97 115.64 109.34 1jus s THR 24 Ca 0.03 -1.15 0.10 0.00 -1.18 0.00 0.00 61.69 59.49 1jus s THR 24 Cb -0.14 -2.82 0.33 0.00 1.34 0.00 0.00 72.50 71.22 1jus s THR 24 CO 0.02 0.07 1.84 0.71 -0.54 0.00 0.00 174.62 176.73 1jus h THR 25 N 2.89 0.77 -0.70 3.99 1.35 -1.98 0.11 112.91 119.33 1jus h THR 25 Ca -0.48 -0.22 0.06 0.00 -0.55 0.00 0.00 66.41 65.22 1jus h THR 25 Cb 1.17 0.07 -0.06 0.00 -1.73 0.00 0.00 68.15 67.61 1jus h THR 25 CO 0.57 0.12 0.39 1.23 -0.25 0.00 0.00 175.52 177.58 1jus h GLY 26 N 0.64 1.03 1.59 5.82 0.00 -1.99 0.36 103.07 110.53 1jus h GLY 26 Ca 0.48 -0.27 -0.16 0.00 0.00 0.00 0.00 47.33 47.38 1jus h GLY 26 CO -0.24 0.16 -0.58 -2.09 0.00 0.00 0.00 176.54 173.80 1jus h GLU 27 N 0.72 0.43 0.16 4.80 4.81 -1.24 -2.41 114.58 121.84 1jus h GLU 27 Ca 0.31 -0.28 -0.01 0.00 -0.13 0.00 0.00 59.36 59.26 1jus h GLU 27 Cb 0.20 0.04 0.00 0.00 0.63 0.00 0.00 28.75 29.62 1jus h GLU 27 CO -0.19 0.88 -0.07 0.82 -0.73 0.00 0.00 179.01 179.72 1jus h ILE 28 N 0.32 0.96 0.08 2.32 2.04 -0.44 -3.05 117.51 119.74 1jus h ILE 28 Ca -0.00 -0.54 -0.00 0.00 1.00 0.00 0.00 64.86 65.31 1jus h ILE 28 Cb 1.11 1.29 -0.00 0.00 -0.74 0.00 0.00 36.82 38.47 1jus h ILE 28 CO 0.10 0.13 -0.08 0.58 0.00 0.00 0.00 178.15 178.87 1jus h VAL 29 N -0.47 0.00 0.00 1.67 2.07 -0.25 -2.10 116.25 117.17 1jus h VAL 29 Ca -0.02 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.50 1jus h VAL 29 Cb 0.37 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.14 1jus h VAL 29 CO 0.04 0.00 0.00 2.29 0.02 0.00 0.00 177.57 179.92 1jus n LYS 30 N -2.80 0.07 -0.03 1.57 2.85 -0.91 -0.30 118.16 118.60 1jus n LYS 30 Ca -0.02 0.26 0.01 0.00 -1.05 0.00 0.00 58.31 57.51 1jus n LYS 30 Cb 0.08 -1.50 -0.14 0.00 -0.65 0.00 0.00 35.03 32.81 1jus n LYS 30 CO 0.00 0.00 0.00 -0.11 -0.05 0.00 0.00 177.40 177.24 1jus n LEU 31 N -1.33 0.22 -0.89 -5.58 7.94 -1.13 -3.96 117.00 112.28 1jus n LEU 31 Ca 0.02 0.10 0.10 0.00 -1.11 0.00 0.00 56.01 55.12 1jus n LEU 31 Cb 0.05 0.20 0.13 0.00 0.53 0.00 0.00 43.42 44.32 1jus n LEU 31 CO 0.05 0.21 0.61 -1.54 -1.11 0.00 0.00 177.39 175.60 1jus n SER 32 N -2.59 2.91 -3.48 1.96 3.41 -0.48 -4.99 113.62 110.35 1jus n SER 32 Ca -0.16 -1.88 -0.18 0.00 -0.26 0.00 0.00 58.87 56.40 1jus n SER 32 Cb 0.84 -0.10 0.08 0.00 -0.26 0.00 0.00 64.21 64.78 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 1.18 -6.52 0.00 4.33 1.02 0.59 -4.83 120.64 116.41 1jus n GLU 33 Ca 0.14 0.82 0.00 0.00 -0.02 0.00 0.00 57.16 58.10 1jus n GLU 33 Cb 0.52 -5.78 0.00 0.00 -0.02 0.00 0.00 31.44 26.16 1jus n GLU 33 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 1jus n SER 34 N -3.11 0.29 -3.89 1.62 2.88 -0.76 -5.01 113.62 105.64 1jus n SER 34 Ca -0.26 0.00 -0.11 0.00 -1.33 0.00 0.00 58.87 57.17 1jus n SER 34 Cb 0.66 0.00 -0.10 0.00 -0.75 0.00 0.00 64.21 64.02 1jus n SER 34 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1jus s SER 35 N 1.00 0.07 0.17 -3.46 1.04 -1.26 -4.58 113.70 106.68 1jus s SER 35 Ca 0.00 -0.31 -0.20 0.00 0.48 0.00 0.00 55.95 55.92 1jus s SER 35 Cb 0.00 0.21 0.09 0.00 0.10 0.00 0.00 66.02 66.42 1jus s SER 35 CO 0.00 -0.41 1.63 0.50 0.98 0.00 0.00 173.24 175.93 1jus h LYS 36 N 4.08 -0.15 -0.40 4.02 3.64 -1.97 -0.75 116.57 125.05 1jus h LYS 36 Ca -0.31 0.01 0.06 0.00 -1.27 0.00 0.00 60.65 59.14 1jus h LYS 36 Cb 1.19 0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 33.02 1jus h LYS 36 CO 0.43 -0.10 0.27 0.78 -2.27 0.00 0.00 179.45 178.56 1jus h GLY 37 N -0.16 0.33 0.44 5.01 0.00 -1.98 0.42 103.07 107.13 1jus h GLY 37 Ca 0.19 -0.11 -0.01 0.00 0.00 0.00 0.00 47.33 47.41 1jus h GLY 37 CO -0.48 0.08 -0.08 -0.57 0.00 0.00 0.00 176.54 175.49 1jus h ASN 38 N 0.26 -0.18 -0.92 0.19 -1.24 -1.61 -2.80 115.58 109.29 1jus h ASN 38 Ca 0.18 -0.36 0.16 0.00 0.71 0.00 0.00 56.30 56.99 1jus h ASN 38 Cb 0.36 0.05 -0.10 0.00 0.73 0.00 0.00 38.32 39.36 1jus h ASN 38 CO -0.04 0.34 0.52 0.25 -1.29 0.00 0.00 177.43 177.21 1jus h LEU 39 N -0.78 0.67 -1.99 0.34 6.46 -0.69 0.37 115.31 119.69 1jus h LEU 39 Ca -0.02 0.09 -0.02 0.00 -0.12 0.00 0.00 57.88 57.81 1jus h LEU 39 Cb 0.53 -0.03 -0.00 0.00 -0.73 0.00 0.00 40.66 40.43 1jus h LEU 39 CO 0.04 0.28 -0.10 1.88 -0.62 0.00 0.00 178.44 179.91 1jus h TYR 40 N 0.72 0.00 0.24 1.25 0.05 -0.90 -1.00 116.97 117.32 1jus h TYR 40 Ca 0.51 0.00 -0.01 0.00 0.05 0.00 0.00 58.73 59.28 1jus h TYR 40 Cb 0.71 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.46 1jus h TYR 40 CO -0.05 0.10 -0.11 -0.92 -1.05 0.00 0.00 178.16 176.13 1jus h TYR 41 N 0.00 -0.29 -0.78 4.88 3.20 0.01 -3.21 116.97 120.79 1jus h TYR 41 Ca -0.00 -0.01 -0.04 0.00 3.14 0.00 0.00 58.73 61.82 1jus h TYR 41 Cb 0.24 0.10 -0.03 0.00 1.54 0.00 0.00 36.73 38.57 1jus h TYR 41 CO 0.00 -0.04 0.31 0.45 -1.64 0.00 0.00 178.16 177.24 1jus h HIS 42 N -1.03 1.17 -3.19 -3.82 3.86 -1.43 -3.39 115.15 107.33 1jus h HIS 42 Ca -0.03 -0.08 -0.52 0.00 -1.16 0.00 0.00 60.37 58.57 1jus h HIS 42 Cb 0.38 -0.35 -0.37 0.00 1.06 0.00 0.00 27.41 28.13 1jus h HIS 42 CO 0.03 0.89 -0.80 -0.06 0.86 0.00 0.00 177.93 178.85 1jus s PHE 43 N -5.53 1.44 0.00 2.45 0.40 -0.39 -5.05 117.98 111.30 1jus s PHE 43 Ca -0.12 -0.71 0.00 0.00 -0.60 0.00 0.00 56.93 55.50 1jus s PHE 43 Cb 0.16 -1.21 0.00 0.00 0.51 0.00 0.00 43.02 42.48 1jus s PHE 43 CO 0.83 -0.50 0.42 1.63 0.70 0.00 0.00 175.22 178.30 1jus n LYS 44 N 4.96 0.00 -4.16 0.44 5.02 -1.21 -3.54 118.16 119.67 1jus n LYS 44 Ca -0.12 0.40 -0.23 0.00 -2.02 0.00 0.00 58.31 56.34 1jus n LYS 44 Cb 0.50 -0.92 -0.07 0.00 -0.02 0.00 0.00 35.03 34.52 1jus n LYS 44 CO 0.00 0.00 0.00 -0.08 -0.52 0.00 0.00 177.40 176.80 1jus s THR 45 N -0.85 3.17 0.21 -0.18 -1.32 -1.26 -4.33 115.64 111.08 1jus s THR 45 Ca 0.00 -1.75 -0.10 0.00 -1.21 0.00 0.00 61.69 58.63 1jus s THR 45 Cb 0.00 -2.96 0.15 0.00 -1.51 0.00 0.00 72.50 68.18 1jus s THR 45 CO 0.00 -0.24 1.71 0.50 -2.21 0.00 0.00 174.62 174.38 1jus h LYS 46 N 1.64 0.26 0.00 7.08 3.64 -1.95 0.31 116.57 127.54 1jus h LYS 46 Ca -0.44 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 58.92 1jus h LYS 46 Cb 1.25 -0.06 0.00 0.00 -0.41 0.00 0.00 32.23 33.01 1jus h LYS 46 CO 0.63 0.17 0.00 1.05 -2.27 0.00 0.00 179.45 179.03 1jus h GLU 47 N 0.27 0.00 0.01 1.90 -0.00 -1.98 -0.39 114.58 114.38 1jus h GLU 47 Ca 0.30 0.00 -0.02 0.00 -0.00 0.00 0.00 59.36 59.65 1jus h GLU 47 Cb 0.44 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 29.19 1jus h GLU 47 CO -0.38 0.00 -0.08 -0.97 -0.00 0.00 0.00 179.01 177.58 1jus h ASN 48 N 0.00 0.06 -0.79 3.06 -0.00 -0.82 -2.38 115.58 114.71 1jus h ASN 48 Ca 0.00 -0.86 0.18 0.00 -0.00 0.00 0.00 56.30 55.62 1jus h ASN 48 Cb 0.02 -0.02 -0.12 0.00 -0.00 0.00 0.00 38.32 38.20 1jus h ASN 48 CO 0.00 0.91 0.19 0.25 -0.00 0.00 0.00 177.43 178.79 1jus h LEU 49 N -0.79 -0.00 -0.64 0.34 5.85 -0.25 0.13 115.31 119.94 1jus h LEU 49 Ca -0.01 0.16 -0.03 0.00 0.84 0.00 0.00 57.88 58.84 1jus h LEU 49 Cb 0.93 0.22 -0.03 0.00 0.37 0.00 0.00 40.66 42.16 1jus h LEU 49 CO 0.01 -0.08 0.29 0.15 -0.34 0.00 0.00 178.44 178.48 1jus h PHE 50 N 0.25 0.95 -0.57 1.25 3.04 -1.27 -1.76 116.94 118.84 1jus h PHE 50 Ca 0.46 -0.06 -0.03 0.00 3.98 0.00 0.00 57.97 62.32 1jus h PHE 50 Cb 0.83 -0.29 -0.03 0.00 2.56 0.00 0.00 35.95 39.02 1jus h PHE 50 CO -0.27 0.73 0.24 -0.07 -2.02 0.00 0.00 178.31 176.92 1jus h LEU 51 N 0.90 0.74 0.40 0.59 3.38 -0.24 0.59 115.31 121.67 1jus h LEU 51 Ca 0.22 -0.09 -0.02 0.00 0.09 0.00 0.00 57.88 58.08 1jus h LEU 51 Cb 0.16 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 40.72 1jus h LEU 51 CO -0.02 0.66 -0.19 -0.33 0.09 0.00 0.00 178.44 178.64 1jus h GLU 52 N 0.81 -0.52 -0.75 1.13 5.08 -0.85 -0.57 114.58 118.91 1jus h GLU 52 Ca 0.20 0.04 0.15 0.00 -1.00 0.00 0.00 59.36 58.74 1jus h GLU 52 Cb 0.14 0.12 -0.10 0.00 0.50 0.00 0.00 28.75 29.40 1jus h GLU 52 CO -0.02 -0.24 0.25 0.82 -1.00 0.00 0.00 179.01 178.82 1jus h ILE 53 N -0.75 0.59 -0.40 3.13 2.04 -1.10 0.61 117.51 121.64 1jus h ILE 53 Ca -0.05 -0.13 0.00 0.00 1.00 0.00 0.00 64.86 65.68 1jus h ILE 53 Cb 0.52 0.19 -0.02 0.00 -0.74 0.00 0.00 36.82 36.77 1jus h ILE 53 CO 0.09 0.07 0.25 0.25 0.00 0.00 0.00 178.15 178.81 1jus h LEU 54 N 0.36 0.46 -0.30 1.44 5.85 -0.70 -1.55 115.31 120.89 1jus h LEU 54 Ca 0.42 -0.01 -0.20 0.00 0.84 0.00 0.00 57.88 58.93 1jus h LEU 54 Cb 0.68 -0.12 0.00 0.00 0.37 0.00 0.00 40.66 41.59 1jus h LEU 54 CO -0.45 0.34 -0.68 -1.13 -0.34 0.00 0.00 178.44 176.18 1jus h ASN 55 N 0.54 0.82 0.05 1.25 -0.73 0.18 -2.21 115.58 115.47 1jus h ASN 55 Ca 0.14 -0.50 -0.00 0.00 1.87 0.00 0.00 56.30 57.82 1jus h ASN 55 Cb -0.05 -0.24 0.00 0.00 0.27 0.00 0.00 38.32 38.30 1jus h ASN 55 CO -0.03 1.27 -0.02 0.40 -0.37 0.00 0.00 177.43 178.68 1jus h ILE 56 N 0.51 1.24 -0.37 2.57 1.08 -0.27 -2.35 117.51 119.92 1jus h ILE 56 Ca -0.02 -0.99 0.05 0.00 -0.39 0.00 0.00 64.86 63.50 1jus h ILE 56 Cb 1.28 1.89 -0.04 0.00 -3.07 0.00 0.00 36.82 36.87 1jus h ILE 56 CO 0.14 0.25 0.11 -0.33 -0.69 0.00 0.00 178.15 177.62 1jus h GLU 57 N -0.51 0.25 -0.54 2.37 4.39 -1.39 0.28 114.58 119.43 1jus h GLU 57 Ca -0.01 -0.01 0.11 0.00 0.34 0.00 0.00 59.36 59.79 1jus h GLU 57 Cb 0.46 -0.06 -0.10 0.00 -0.10 0.00 0.00 28.75 28.95 1jus h GLU 57 CO 0.01 0.16 -0.17 0.93 -1.16 0.00 0.00 179.01 178.79 1jus h GLU 58 N 0.25 -0.03 0.02 2.33 4.39 -1.38 0.12 114.58 120.28 1jus h GLU 58 Ca 0.17 0.00 -0.21 0.00 0.34 0.00 0.00 59.36 59.67 1jus h GLU 58 Cb 0.16 0.01 0.02 0.00 -0.10 0.00 0.00 28.75 28.84 1jus h GLU 58 CO -0.19 -0.02 -0.82 0.66 -1.16 0.00 0.00 179.01 177.48 1jus h SER 59 N -0.04 0.69 -0.72 1.42 4.64 -0.90 -2.53 113.55 116.12 1jus h SER 59 Ca 0.26 -0.77 0.04 0.00 -0.47 0.00 0.00 61.79 60.85 1jus h SER 59 Cb 0.43 -0.21 -0.04 0.00 -0.31 0.00 0.00 62.40 62.27 1jus h SER 59 CO -0.57 1.37 0.47 0.11 -0.87 0.00 0.00 176.83 177.34 1jus h LYS 60 N 0.08 0.83 -0.32 4.77 1.57 -0.09 1.19 116.57 124.60 1jus h LYS 60 Ca -0.11 -0.05 -0.11 0.00 -1.87 0.00 0.00 60.65 58.51 1jus h LYS 60 Cb 1.51 -0.19 -0.01 0.00 0.08 0.00 0.00 32.23 33.63 1jus h LYS 60 CO 0.16 0.55 -0.22 2.35 -0.57 0.00 0.00 179.45 181.71 1jus h TRP 61 N 0.85 0.85 -0.31 -1.35 -0.00 -0.79 -0.42 115.95 114.78 1jus h TRP 61 Ca 0.29 -0.23 -0.11 0.00 -0.00 0.00 0.00 58.89 58.84 1jus h TRP 61 Cb 0.08 -0.19 -0.01 0.00 -0.00 0.00 0.00 29.16 29.04 1jus h TRP 61 CO -0.00 0.96 -0.26 0.37 -0.00 0.00 0.00 178.44 179.52 1jus h GLN 62 N 0.49 0.62 -0.36 2.65 4.15 -0.84 -1.46 115.11 120.35 1jus h GLN 62 Ca 0.06 -0.25 -0.01 0.00 0.77 0.00 0.00 58.65 59.22 1jus h GLN 62 Cb 0.78 -0.03 -0.02 0.00 0.21 0.00 0.00 27.48 28.42 1jus h GLN 62 CO 0.06 0.82 0.17 1.49 -1.93 0.00 0.00 178.83 179.44 1jus h GLU 63 N 0.54 0.53 -0.19 1.69 4.81 0.16 -2.40 114.58 119.71 1jus h GLU 63 Ca 0.07 -0.08 -0.10 0.00 -0.13 0.00 0.00 59.36 59.12 1jus h GLU 63 Cb 0.72 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 30.00 1jus h GLU 63 CO 0.06 0.48 -0.33 0.37 -0.73 0.00 0.00 179.01 178.85 1jus h GLN 64 N 0.45 0.39 -0.22 1.92 4.15 -0.82 -3.02 115.11 117.95 1jus h GLN 64 Ca 0.12 -0.17 -0.12 0.00 0.77 0.00 0.00 58.65 59.25 1jus h GLN 64 Cb 0.13 -0.01 -0.01 0.00 0.21 0.00 0.00 27.48 27.79 1jus h GLN 64 CO -0.02 0.68 -0.38 2.35 -1.93 0.00 0.00 178.83 179.54 1jus h TRP 65 N 0.34 0.59 -0.08 3.99 -0.00 -1.05 -2.01 115.95 117.74 1jus h TRP 65 Ca 0.04 -0.16 -0.00 0.00 -0.00 0.00 0.00 58.89 58.77 1jus h TRP 65 Cb 0.75 -0.13 -0.00 0.00 -0.00 0.00 0.00 29.16 29.78 1jus h TRP 65 CO 0.02 0.81 0.04 -0.22 -0.00 0.00 0.00 178.44 179.10 1jus h LYS 66 N 0.42 0.11 0.00 2.65 1.63 -1.32 0.38 116.57 120.44 1jus h LYS 66 Ca 0.04 -0.01 -0.05 0.00 -0.85 0.00 0.00 60.65 59.78 1jus h LYS 66 Cb 0.85 -0.02 -0.01 0.00 -0.60 0.00 0.00 32.23 32.45 1jus h LYS 66 CO 0.07 0.16 -0.23 0.87 -3.45 0.00 0.00 179.45 176.87 1jus h LYS 67 N 0.03 0.00 0.00 1.90 1.57 -1.44 -3.25 116.57 115.39 1jus h LYS 67 Ca 0.03 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.81 1jus h LYS 67 Cb 0.08 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.39 1jus h LYS 67 CO -0.00 0.23 -1.98 0.39 -0.57 0.00 0.00 179.45 177.52 1jus n GLU 68 N -3.73 0.66 0.27 3.15 1.02 -0.76 -4.48 120.64 116.76 1jus n GLU 68 Ca -0.01 -0.19 0.14 0.00 -0.02 0.00 0.00 57.16 57.07 1jus n GLU 68 Cb 0.34 -1.53 0.76 0.00 -0.02 0.00 0.00 31.44 31.00 1jus n GLU 68 CO 0.00 0.00 0.00 -0.56 1.18 0.00 0.00 177.13 177.75 1jus h GLN 69 N 0.00 0.00 -0.69 3.49 3.07 -0.28 -3.16 115.11 117.54 1jus h GLN 69 Ca 0.00 0.00 0.12 0.00 0.09 0.00 0.00 58.65 58.86 1jus h GLN 69 Cb 1.00 0.00 -0.04 0.00 0.08 0.00 0.00 27.48 28.51 1jus h GLN 69 CO 0.00 0.10 0.46 0.82 0.09 0.00 0.00 178.83 180.30 1jus h ILE 70 N 0.00 0.87 0.00 1.86 2.04 -1.79 -0.65 117.51 119.84 1jus h ILE 70 Ca -0.00 -0.16 0.00 0.00 1.00 0.00 0.00 64.86 65.70 1jus h ILE 70 Cb 0.33 0.36 0.00 0.00 -0.74 0.00 0.00 36.82 36.77 1jus h ILE 70 CO 0.01 0.09 0.00 0.29 0.00 0.00 0.00 178.15 178.54 1jus n LYS 71 N -4.48 0.27 -3.96 2.37 5.02 -1.20 -4.22 118.16 111.96 1jus n LYS 71 Ca 0.12 0.00 -0.32 0.00 -2.02 0.00 0.00 58.31 56.09 1jus n LYS 71 Cb 0.42 -1.19 -0.14 0.00 -0.02 0.00 0.00 35.03 34.11 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 -2.00 2.94 0.02 7.82 0.00 -0.25 -5.03 121.76 125.25 1jus s ALA 72 Ca 0.05 -2.47 -0.07 0.00 0.00 0.00 0.00 51.96 49.47 1jus s ALA 72 Cb 0.02 -2.05 -0.03 0.00 0.00 0.00 0.00 23.12 21.06 1jus s ALA 72 CO 0.04 -1.68 1.11 1.57 0.00 0.00 0.00 175.76 176.80 1jus h LYS 73 N 7.73 -0.18 0.00 0.00 2.10 -1.85 -3.44 116.57 120.94 1jus h LYS 73 Ca -0.07 0.01 0.00 0.00 -2.00 0.00 0.00 60.65 58.59 1jus h LYS 73 Cb 1.03 0.04 0.00 0.00 -0.90 0.00 0.00 32.23 32.40 1jus h LYS 73 CO 0.56 -0.12 0.00 0.25 -2.00 0.00 0.00 179.45 178.14 1jus n THR 74 N -2.94 0.00 -0.05 0.07 -2.24 -1.26 -5.01 114.28 102.85 1jus n THR 74 Ca -0.02 0.00 -0.01 0.00 -2.27 0.00 0.00 64.05 61.75 1jus n THR 74 Cb 0.09 -1.83 -0.14 0.00 -2.10 0.00 0.00 70.33 66.35 1jus n THR 74 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 1jus n ASN 75 N -1.48 0.85 0.28 3.42 4.13 -1.26 -3.59 115.26 117.61 1jus n ASN 75 Ca 0.00 0.00 0.12 0.00 1.68 0.00 0.00 54.58 56.38 1jus n ASN 75 Cb 0.00 1.31 0.78 0.00 -1.54 0.00 0.00 39.78 40.32 1jus n ASN 75 CO 0.00 0.00 0.00 -0.09 0.28 0.00 0.00 177.26 177.45 1jus h ARG 76 N 0.00 0.00 0.00 3.52 2.43 -1.95 -0.82 114.38 117.56 1jus h ARG 76 Ca -0.26 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.91 1jus h ARG 76 Cb 1.52 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 31.07 1jus h ARG 76 CO 0.01 0.03 -1.01 0.39 -1.51 0.00 0.00 179.97 177.89 1jus n GLU 77 N -4.06 0.60 0.02 0.20 1.02 -1.26 -3.34 120.64 113.82 1jus n GLU 77 Ca -0.03 0.12 -0.18 0.00 -0.02 0.00 0.00 57.16 57.05 1jus n GLU 77 Cb 0.12 -1.83 -0.08 0.00 -0.02 0.00 0.00 31.44 29.63 1jus n GLU 77 CO 0.00 0.00 0.00 0.87 1.18 0.00 0.00 177.13 179.18 1jus h LYS 78 N 0.00 0.70 0.68 3.49 1.57 -1.24 -2.17 116.57 119.60 1jus h LYS 78 Ca 0.00 -0.69 -0.03 0.00 -1.87 0.00 0.00 60.65 58.07 1jus h LYS 78 Cb 1.00 0.18 -0.01 0.00 0.08 0.00 0.00 32.23 33.48 1jus h LYS 78 CO 0.00 1.28 -0.46 0.35 -0.57 0.00 0.00 179.45 180.05 1jus h PHE 79 N 0.42 -1.24 -0.57 -1.35 3.57 -1.45 0.36 116.94 116.68 1jus h PHE 79 Ca -0.10 -0.01 0.12 0.00 3.53 0.00 0.00 57.97 61.51 1jus h PHE 79 Cb 1.59 0.45 -0.10 0.00 2.79 0.00 0.00 35.95 40.68 1jus h PHE 79 CO 0.09 -0.68 -0.09 1.88 -2.23 0.00 0.00 178.31 177.28 1jus h TYR 80 N -1.09 -0.21 0.11 0.41 0.05 -1.61 -1.88 116.97 112.75 1jus h TYR 80 Ca -0.09 0.05 -0.01 0.00 0.05 0.00 0.00 58.73 58.74 1jus h TYR 80 Cb 0.89 0.18 0.00 0.00 1.01 0.00 0.00 36.73 38.81 1jus h TYR 80 CO -0.14 -0.21 -0.05 1.25 -1.05 0.00 0.00 178.16 177.96 1jus h LEU 81 N 0.04 -0.13 -0.16 3.88 5.85 -1.06 -2.08 115.31 121.65 1jus h LEU 81 Ca 0.28 -0.22 0.05 0.00 0.84 0.00 0.00 57.88 58.83 1jus h LEU 81 Cb 0.44 0.03 -0.05 0.00 0.37 0.00 0.00 40.66 41.46 1jus h LEU 81 CO -0.55 0.15 -0.15 0.22 -0.34 0.00 0.00 178.44 177.76 1jus h TYR 82 N -0.41 -0.38 -0.54 1.25 3.20 -0.09 0.17 116.97 120.17 1jus h TYR 82 Ca -0.02 0.02 0.09 0.00 3.14 0.00 0.00 58.73 61.97 1jus h TYR 82 Cb 0.34 0.19 -0.07 0.00 1.54 0.00 0.00 36.73 38.73 1jus h TYR 82 CO 0.01 -0.22 0.16 -0.91 -1.64 0.00 0.00 178.16 175.56 1jus h ASN 83 N -0.17 0.11 -0.36 -2.11 -0.26 -1.37 -1.27 115.58 110.15 1jus h ASN 83 Ca 0.10 0.08 -0.05 0.00 -0.56 0.00 0.00 56.30 55.88 1jus h ASN 83 Cb 0.33 0.09 -0.01 0.00 -1.06 0.00 0.00 38.32 37.66 1jus h ASN 83 CO -0.26 0.08 0.04 -0.08 -1.06 0.00 0.00 177.43 176.15 1jus h GLU 84 N 0.31 0.61 0.00 0.81 4.81 -0.75 -2.63 114.58 117.75 1jus h GLU 84 Ca 0.27 -0.17 -0.02 0.00 -0.13 0.00 0.00 59.36 59.30 1jus h GLU 84 Cb 0.35 -0.07 -0.00 0.00 0.63 0.00 0.00 28.75 29.66 1jus h GLU 84 CO -0.31 0.69 -0.11 -0.07 -0.73 0.00 0.00 179.01 178.48 1jus h LEU 85 N 0.44 0.00 -1.62 1.64 3.38 -0.25 -2.14 115.31 116.75 1jus h LEU 85 Ca 0.11 0.00 0.04 0.00 0.09 0.00 0.00 57.88 58.12 1jus h LEU 85 Cb 0.39 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.12 1jus h LEU 85 CO 0.01 0.11 0.32 0.28 0.09 0.00 0.00 178.44 179.25 1jus h SER 86 N 0.00 0.42 0.87 -0.43 0.02 -0.85 0.73 113.55 114.31 1jus h SER 86 Ca -0.00 -0.00 -0.07 0.00 -0.84 0.00 0.00 61.79 60.88 1jus h SER 86 Cb 0.26 -0.09 -0.01 0.00 0.14 0.00 0.00 62.40 62.69 1jus h SER 86 CO 0.01 0.28 -0.32 -0.07 -1.14 0.00 0.00 176.83 175.60 1jus h LEU 87 N 0.48 0.00 0.00 5.07 3.38 -1.45 -3.35 115.31 119.44 1jus h LEU 87 Ca 0.20 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.17 1jus h LEU 87 Cb 0.18 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.93 1jus h LEU 87 CO -0.05 0.32 -1.21 0.35 0.09 0.00 0.00 178.44 177.94 1jus n THR 88 N -3.49 0.00 -1.25 0.22 -2.24 -0.51 -5.04 114.28 101.98 1jus n THR 88 Ca -0.00 -0.21 -0.35 0.00 -2.27 0.00 0.00 64.05 61.22 1jus n THR 88 Cb 0.48 0.43 0.10 0.00 -2.10 0.00 0.00 70.33 69.24 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 -1.69 2.43 1.14 4.28 5.66 0.13 -4.90 114.28 121.35 1jus n THR 89 Ca -0.01 -0.32 0.12 0.00 -3.05 0.00 0.00 64.05 60.80 1jus n THR 89 Cb 0.20 -1.10 0.25 0.00 -1.55 0.00 0.00 70.33 68.13 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 -2.23 0.76 -3.97 1.09 0.28 -1.26 -4.90 120.64 110.40 1jus n GLU 90 Ca 0.13 -0.51 -0.25 0.00 -0.16 0.00 0.00 57.16 56.37 1jus n GLU 90 Cb 0.50 -1.49 -0.03 0.00 1.43 0.00 0.00 31.44 31.85 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 -2.59 3.43 0.00 -1.84 4.12 -1.26 -4.76 117.35 114.45 1jus s TYR 91 Ca 0.20 0.07 0.00 0.00 0.02 0.00 0.00 57.07 57.36 1jus s TYR 91 Cb 0.19 -1.62 0.00 0.00 -1.52 0.00 0.00 41.96 39.00 1jus s TYR 91 CO 0.58 0.50 0.00 0.98 0.02 0.00 0.00 175.55 177.63 1jus n TYR 92 N -0.73 0.00 -0.39 2.71 4.19 -1.26 -4.23 117.16 117.45 1jus n TYR 92 Ca -0.08 0.00 0.35 0.00 3.31 0.00 0.00 57.90 61.48 1jus n TYR 92 Cb 0.55 0.00 0.69 0.00 0.49 0.00 0.00 39.34 41.06 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 0.24 0.00 2.98 0.05 -1.91 0.15 116.97 118.48 1jus h TYR 93 Ca 0.00 0.01 -0.04 0.00 0.05 0.00 0.00 58.73 58.75 1jus h TYR 93 Cb 0.00 -0.07 -0.01 0.00 1.01 0.00 0.00 36.73 37.67 1jus h TYR 93 CO 0.00 -0.02 -0.17 -1.35 -1.05 0.00 0.00 178.16 175.58 1jus h PRO 94 N 0.11 0.00 -0.04 4.88 0.11 -1.86 -2.53 132.00 132.67 1jus h PRO 94 Ca 0.65 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.76 1jus h PRO 94 Cb 2.30 0.00 0.00 0.00 0.11 0.00 0.00 31.00 33.41 1jus h PRO 94 CO -0.14 0.17 0.00 1.28 -0.21 0.00 0.00 178.00 179.10 1jus n LEU 95 N -3.75 0.67 -0.19 2.35 4.77 0.54 -4.37 117.00 117.02 1jus n LEU 95 Ca -0.02 -0.25 -0.01 0.00 -0.03 0.00 0.00 56.01 55.70 1jus n LEU 95 Cb 0.28 -0.02 0.09 0.00 -2.33 0.00 0.00 43.42 41.44 1jus n LEU 95 CO 0.32 0.13 0.98 -0.61 -1.33 0.00 0.00 177.39 176.88 1jus h GLN 96 N 0.96 0.39 -0.64 3.23 5.75 -1.53 0.27 115.11 123.55 1jus h GLN 96 Ca 0.00 -0.02 0.01 0.00 -0.15 0.00 0.00 58.65 58.49 1jus h GLN 96 Cb 0.21 -0.09 -0.03 0.00 1.07 0.00 0.00 27.48 28.64 1jus h GLN 96 CO 0.00 0.26 0.42 -0.97 -2.65 0.00 0.00 178.83 175.89 1jus h ASN 97 N 0.40 0.72 -0.45 -0.69 -0.73 -1.84 -0.38 115.58 112.61 1jus h ASN 97 Ca 0.28 -0.02 -0.06 0.00 1.87 0.00 0.00 56.30 58.38 1jus h ASN 97 Cb 0.33 -0.18 -0.02 0.00 0.27 0.00 0.00 38.32 38.73 1jus h ASN 97 CO -0.28 0.52 0.06 0.00 -0.37 0.00 0.00 177.43 177.36 1jus h ALA 98 N 1.24 0.60 -0.98 1.57 0.00 -1.62 -2.72 119.26 117.35 1jus h ALA 98 Ca 0.24 -0.23 0.07 0.00 0.00 0.00 0.00 54.91 54.99 1jus h ALA 98 Cb -0.08 -0.17 -0.07 0.00 0.00 0.00 0.00 17.79 17.47 1jus h ALA 98 CO -0.06 0.33 0.63 0.82 0.00 0.00 0.00 179.25 180.97 1jus h ILE 99 N 0.61 1.06 0.79 0.00 2.04 0.07 -1.05 117.51 121.03 1jus h ILE 99 Ca 0.13 -0.38 -0.04 0.00 1.00 0.00 0.00 64.86 65.57 1jus h ILE 99 Cb 0.40 -0.16 0.00 0.00 -0.74 0.00 0.00 36.82 36.33 1jus h ILE 99 CO 0.01 0.20 -0.41 0.40 0.00 0.00 0.00 178.15 178.36 1jus h ILE 100 N 1.12 0.17 -0.64 -0.67 2.04 -0.80 -1.22 117.51 117.51 1jus h ILE 100 Ca 0.43 0.00 0.10 0.00 1.00 0.00 0.00 64.86 66.39 1jus h ILE 100 Cb 0.21 0.17 -0.07 0.00 -0.74 0.00 0.00 36.82 36.39 1jus h ILE 100 CO -0.18 0.00 0.27 -0.33 0.00 0.00 0.00 178.15 177.90 1jus h GLU 101 N -1.10 0.45 -0.45 2.37 5.08 -1.18 -1.23 114.58 118.51 1jus h GLU 101 Ca -0.11 -0.03 0.02 0.00 -1.00 0.00 0.00 59.36 58.25 1jus h GLU 101 Cb 0.85 -0.10 -0.03 0.00 0.50 0.00 0.00 28.75 29.97 1jus h GLU 101 CO 0.16 0.30 0.26 0.35 -1.00 0.00 0.00 179.01 179.08 1jus h PHE 102 N 0.47 0.48 -0.58 4.33 3.04 -1.14 -2.66 116.94 120.87 1jus h PHE 102 Ca 0.32 0.02 -0.03 0.00 3.98 0.00 0.00 57.97 62.26 1jus h PHE 102 Cb 0.39 -0.15 -0.03 0.00 2.56 0.00 0.00 35.95 38.72 1jus h PHE 102 CO -0.15 0.27 0.25 -0.92 -2.02 0.00 0.00 178.31 175.74 1jus h TYR 103 N 0.52 0.87 0.00 0.41 5.03 -0.30 -1.46 116.97 122.03 1jus h TYR 103 Ca 0.19 -0.06 0.00 0.00 2.58 0.00 0.00 58.73 61.44 1jus h TYR 103 Cb 0.04 -0.26 0.00 0.00 1.55 0.00 0.00 36.73 38.05 1jus h TYR 103 CO -0.08 0.69 0.00 0.25 -1.32 0.00 0.00 178.16 177.70 1jus n THR 104 N -4.50 0.98 0.90 1.81 -2.24 -0.55 -1.68 114.28 109.00 1jus n THR 104 Ca 0.03 0.39 0.10 0.00 -2.27 0.00 0.00 64.05 62.30 1jus n THR 104 Cb 0.15 -1.32 -0.12 0.00 -2.10 0.00 0.00 70.33 66.93 1jus n THR 104 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1jus n GLU 105 N -2.11 0.12 0.00 -0.78 1.02 -0.61 -4.57 120.64 113.70 1jus n GLU 105 Ca 0.01 -0.02 0.00 0.00 -0.02 0.00 0.00 57.16 57.13 1jus n GLU 105 Cb 0.16 -1.49 0.00 0.00 -0.02 0.00 0.00 31.44 30.08 1jus n GLU 105 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 1jus n TYR 106 N -1.56 0.00 0.87 -0.32 4.01 -0.82 -4.65 117.16 114.69 1jus n TYR 106 Ca 0.03 -0.16 0.10 0.00 -0.16 0.00 0.00 57.90 57.72 1jus n TYR 106 Cb 0.35 -0.02 0.49 0.00 -0.31 0.00 0.00 39.34 39.85 1jus n TYR 106 CO 0.00 0.00 0.00 2.48 -0.46 0.00 0.00 176.86 178.88 1jus n TYR 107 N -0.16 0.00 -0.02 -0.72 4.11 -0.68 -3.01 117.16 116.69 1jus n TYR 107 Ca 0.00 0.00 -0.09 0.00 -0.00 0.00 0.00 57.90 57.81 1jus n TYR 107 Cb 0.41 -0.37 -0.07 0.00 -0.00 0.00 0.00 39.34 39.30 1jus n TYR 107 CO 0.00 0.00 0.00 -0.22 -0.00 0.00 0.00 176.86 176.64 1jus h LYS 108 N 0.00 -0.07 -6.12 -3.48 1.63 -1.84 -3.42 116.57 103.27 1jus h LYS 108 Ca 0.00 0.01 -0.59 0.00 -0.85 0.00 0.00 60.65 59.21 1jus h LYS 108 Cb 0.26 0.02 -0.10 0.00 -0.60 0.00 0.00 32.23 31.80 1jus h LYS 108 CO 0.00 0.43 1.47 0.95 -3.45 0.00 0.00 179.45 178.85 1jus s THR 109 N -2.44 3.90 0.16 1.00 -4.23 -1.16 -4.89 115.64 107.98 1jus s THR 109 Ca -0.11 -0.70 0.11 0.00 -1.18 0.00 0.00 61.69 59.81 1jus s THR 109 Cb -0.01 -5.04 0.17 0.00 1.34 0.00 0.00 72.50 68.97 1jus s THR 109 CO 0.41 -1.92 0.60 0.59 -0.54 0.00 0.00 174.62 173.76 1jus n ASN 110 N 8.98 0.10 0.09 3.99 4.13 -1.26 -1.46 115.26 129.82 1jus n ASN 110 Ca 0.32 0.56 -0.10 0.00 1.68 0.00 0.00 54.58 57.04 1jus n ASN 110 Cb 0.51 -0.28 -0.06 0.00 -1.54 0.00 0.00 39.78 38.41 1jus n ASN 110 CO 0.00 0.00 0.00 -1.28 0.28 0.00 0.00 177.26 176.26 1jus h SER 111 N 0.00 -0.91 -0.57 6.41 0.87 -1.91 -2.61 113.55 114.83 1jus h SER 111 Ca 0.33 0.09 -0.08 0.00 -1.23 0.00 0.00 61.79 60.91 1jus h SER 111 Cb 1.02 0.33 -0.02 0.00 -0.44 0.00 0.00 62.40 63.28 1jus h SER 111 CO -0.22 -0.34 0.06 0.40 -0.53 0.00 0.00 176.83 176.21 1jus h ILE 112 N -0.47 1.26 0.00 2.23 2.04 -1.54 -2.61 117.51 118.42 1jus h ILE 112 Ca -0.01 -1.04 0.00 0.00 1.00 0.00 0.00 64.86 64.81 1jus h ILE 112 Cb 0.46 0.73 0.00 0.00 -0.74 0.00 0.00 36.82 37.27 1jus h ILE 112 CO -0.14 0.38 0.20 -1.13 0.00 0.00 0.00 178.15 177.46 1jus h ASN 113 N 0.93 0.00 0.08 1.72 -1.24 -1.44 -2.10 115.58 113.52 1jus h ASN 113 Ca 0.18 0.00 -0.00 0.00 0.71 0.00 0.00 56.30 57.19 1jus h ASN 113 Cb 0.45 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.50 1jus h ASN 113 CO 0.02 0.00 -0.04 -0.33 -1.29 0.00 0.00 177.43 175.79 1jus h GLU 114 N 0.00 -0.10 -0.78 6.67 5.08 -1.08 -2.90 114.58 121.47 1jus h GLU 114 Ca 0.00 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.37 1jus h GLU 114 Cb 0.40 0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.68 1jus h GLU 114 CO 0.00 -0.07 0.00 1.63 -1.00 0.00 0.00 179.01 179.57 1jus n LYS 115 N -4.48 0.00 0.00 2.33 4.76 -0.79 -1.31 118.16 118.67 1jus n LYS 115 Ca -0.01 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.43 1jus n LYS 115 Cb 0.04 -0.82 0.00 0.00 -1.84 0.00 0.00 35.03 32.41 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 0.48 0.00 -0.04 4.39 4.13 -1.10 -2.33 115.26 120.79 1jus n ASN 117 Ca 0.00 0.00 -0.13 0.00 1.68 0.00 0.00 54.58 56.13 1jus n ASN 117 Cb 0.00 0.00 -0.08 0.00 -1.54 0.00 0.00 39.78 38.16 1jus n ASN 117 CO 0.00 0.00 0.00 0.50 0.28 0.00 0.00 177.26 178.04 1jus h LYS 118 N 0.00 0.21 -0.52 3.52 3.64 -1.48 -2.53 116.57 119.41 1jus h LYS 118 Ca 0.00 -0.10 -0.04 0.00 -1.27 0.00 0.00 60.65 59.24 1jus h LYS 118 Cb 0.00 -0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 31.79 1jus h LYS 118 CO 0.00 0.58 0.16 -0.07 -2.27 0.00 0.00 179.45 177.86 1jus h LEU 119 N -0.17 0.75 -1.14 5.20 3.38 -1.73 -2.75 115.31 118.86 1jus h LEU 119 Ca 0.02 -0.21 0.11 0.00 0.09 0.00 0.00 57.88 57.90 1jus h LEU 119 Cb 0.53 -0.20 -0.07 0.00 0.09 0.00 0.00 40.66 41.01 1jus h LEU 119 CO 0.02 0.76 0.60 -0.33 0.09 0.00 0.00 178.44 179.57 1jus h GLU 120 N 0.71 0.87 -0.35 1.13 4.39 -1.84 0.15 114.58 119.64 1jus h GLU 120 Ca 0.17 -0.05 -0.09 0.00 0.34 0.00 0.00 59.36 59.73 1jus h GLU 120 Cb 0.27 -0.20 -0.02 0.00 -0.10 0.00 0.00 28.75 28.71 1jus h GLU 120 CO -0.01 0.58 -0.15 -0.91 -1.16 0.00 0.00 179.01 177.36 1jus h ASN 121 N 0.90 0.61 0.28 1.42 2.35 -1.16 0.93 115.58 120.90 1jus h ASN 121 Ca 0.45 -0.18 -0.01 0.00 -0.55 0.00 0.00 56.30 56.01 1jus h ASN 121 Cb 0.49 -0.16 0.00 0.00 0.05 0.00 0.00 38.32 38.70 1jus h ASN 121 CO -0.21 0.78 -0.13 0.11 -1.65 0.00 0.00 177.43 176.32 1jus h LYS 122 N 0.56 -0.36 -0.46 0.81 1.57 -0.59 0.45 116.57 118.56 1jus h LYS 122 Ca 0.10 0.02 0.07 0.00 -1.87 0.00 0.00 60.65 58.97 1jus h LYS 122 Cb 0.58 0.08 -0.06 0.00 0.08 0.00 0.00 32.23 32.91 1jus h LYS 122 CO 0.04 -0.10 0.13 -0.92 -0.57 0.00 0.00 179.45 178.02 1jus h TYR 123 N -0.59 0.22 0.00 -1.35 3.20 -0.72 -0.81 116.97 116.93 1jus h TYR 123 Ca -0.04 0.03 -0.04 0.00 3.14 0.00 0.00 58.73 61.82 1jus h TYR 123 Cb 0.42 -0.03 -0.01 0.00 1.54 0.00 0.00 36.73 38.66 1jus h TYR 123 CO -0.00 0.05 -0.19 0.82 -1.64 0.00 0.00 178.16 177.20 1jus h ILE 124 N 0.28 0.55 -0.43 1.81 1.08 -0.77 -3.32 117.51 116.71 1jus h ILE 124 Ca 0.22 -0.92 0.09 0.00 -0.39 0.00 0.00 64.86 63.86 1jus h ILE 124 Cb 0.25 1.62 -0.09 0.00 -3.07 0.00 0.00 36.82 35.53 1jus h ILE 124 CO -0.26 0.19 -0.26 -0.78 -0.69 0.00 0.00 178.15 176.35 1jus h ASP 125 N 0.00 -0.88 -0.99 1.72 -0.00 0.64 -1.76 116.42 115.16 1jus h ASP 125 Ca -0.00 0.18 0.30 0.00 -0.00 0.00 0.00 57.03 57.51 1jus h ASP 125 Cb 0.60 0.44 -0.14 0.00 -0.00 0.00 0.00 39.33 40.23 1jus h ASP 125 CO 0.02 -0.28 0.53 0.00 -0.00 0.00 0.00 179.24 179.52 1jus h ALA 126 N 1.01 1.84 -0.18 -0.78 0.00 -1.66 0.55 119.26 120.04 1jus h ALA 126 Ca 0.20 0.18 -0.17 0.00 0.00 0.00 0.00 54.91 55.12 1jus h ALA 126 Cb 0.49 0.16 0.01 0.00 0.00 0.00 0.00 17.79 18.44 1jus h ALA 126 CO -0.53 -0.51 -0.56 1.88 0.00 0.00 0.00 179.25 179.52 1jus h TYR 127 N 0.35 0.91 -0.79 0.00 0.05 -1.58 -1.93 116.97 113.97 1jus h TYR 127 Ca 0.70 -0.37 0.09 0.00 0.05 0.00 0.00 58.73 59.20 1jus h TYR 127 Cb 1.54 -0.15 -0.07 0.00 1.01 0.00 0.00 36.73 39.05 1jus h TYR 127 CO -0.04 1.17 0.45 1.25 -1.05 0.00 0.00 178.16 179.93 1jus h HIS 128 N 0.39 0.81 0.76 4.88 2.76 0.43 0.40 115.15 125.58 1jus h HIS 128 Ca -0.02 0.03 -0.04 0.00 -2.20 0.00 0.00 60.37 58.14 1jus h HIS 128 Cb 1.18 -0.24 0.01 0.00 1.55 0.00 0.00 27.41 29.91 1jus h HIS 128 CO 0.09 0.33 -0.37 0.28 -1.30 0.00 0.00 177.93 176.97 1jus h VAL 129 N 0.76 0.00 -0.88 5.26 2.07 -0.73 0.91 116.25 123.64 1jus h VAL 129 Ca 0.38 -0.16 0.20 0.00 0.82 0.00 0.00 66.70 67.94 1jus h VAL 129 Cb 0.34 0.00 -0.12 0.00 -1.52 0.00 0.00 31.29 29.99 1jus h VAL 129 CO -0.24 0.00 0.38 0.40 0.02 0.00 0.00 177.57 178.13 1jus h ILE 130 N -1.19 0.51 -0.13 4.57 2.04 -0.89 0.43 117.51 122.86 1jus h ILE 130 Ca -0.10 -0.14 -0.23 0.00 1.00 0.00 0.00 64.86 65.38 1jus h ILE 130 Cb 0.79 0.06 0.01 0.00 -0.74 0.00 0.00 36.82 36.93 1jus h ILE 130 CO 0.17 0.08 -0.82 -0.26 0.00 0.00 0.00 178.15 177.32 1jus h PHE 131 N 0.42 1.04 0.17 1.37 0.04 -0.14 -1.52 116.94 118.32 1jus h PHE 131 Ca 0.53 -0.48 -0.01 0.00 2.80 0.00 0.00 57.97 60.82 1jus h PHE 131 Cb 0.97 -0.15 0.00 0.00 2.20 0.00 0.00 35.95 38.97 1jus h PHE 131 CO -0.14 1.31 -0.08 -0.22 -0.60 0.00 0.00 178.31 178.58 1jus h LYS 132 N 0.50 -0.22 -0.03 1.51 3.64 0.17 -2.66 116.57 119.49 1jus h LYS 132 Ca -0.06 0.01 0.01 0.00 -1.27 0.00 0.00 60.65 59.34 1jus h LYS 132 Cb 1.45 0.05 -0.00 0.00 -0.41 0.00 0.00 32.23 33.32 1jus h LYS 132 CO 0.17 0.09 0.02 0.93 -2.27 0.00 0.00 179.45 178.39 1jus h GLU 133 N -0.53 0.00 -0.26 1.90 4.39 -1.05 0.55 114.58 119.57 1jus h GLU 133 Ca -0.02 0.00 -0.07 0.00 0.34 0.00 0.00 59.36 59.61 1jus h GLU 133 Cb 0.41 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.04 1jus h GLU 133 CO 0.04 0.00 -0.15 0.78 -1.16 0.00 0.00 179.01 178.52 1jus h GLY 134 N 0.00 0.48 0.37 -3.84 0.00 -0.97 -1.72 103.07 97.40 1jus h GLY 134 Ca 0.01 -0.34 -0.01 0.00 0.00 0.00 0.00 47.33 47.00 1jus h GLY 134 CO -0.00 0.31 -0.07 3.43 0.00 0.00 0.00 176.54 180.22 1jus h ASN 135 N 0.41 -0.15 0.00 0.19 2.35 -0.60 -0.07 115.58 117.71 1jus h ASN 135 Ca 0.08 -0.40 0.00 0.00 -0.55 0.00 0.00 56.30 55.43 1jus h ASN 135 Cb 0.50 0.04 0.00 0.00 0.05 0.00 0.00 38.32 38.91 1jus h ASN 135 CO 0.03 0.41 0.00 -0.11 -1.65 0.00 0.00 177.43 176.11 1jus n LEU 136 N -4.91 0.00 0.00 1.61 0.00 -0.63 -0.81 117.00 112.27 1jus n LEU 136 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 56.01 55.93 1jus n LEU 136 Cb 0.27 0.00 0.00 0.00 0.00 0.00 0.00 43.42 43.69 1jus n LEU 136 CO 0.27 0.00 0.11 -3.20 0.00 0.00 0.00 177.39 174.57 1jus n ASN 137 N -0.80 0.45 0.00 1.96 5.15 -0.66 -5.01 115.26 116.36 1jus n ASN 137 Ca 0.01 -0.78 0.00 0.00 -0.60 0.00 0.00 54.58 53.21 1jus n ASN 137 Cb 0.00 0.23 0.00 0.00 -0.53 0.00 0.00 39.78 39.48 1jus n ASN 137 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1jus n GLY 138 N 0.23 0.43 0.20 8.20 0.00 0.01 -4.91 105.19 109.34 1jus n GLY 138 Ca 0.00 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.09 1jus n GLY 138 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1jus h GLU 139 N 0.86 0.00 -1.64 1.61 5.08 -1.24 -3.47 114.58 115.78 1jus h GLU 139 Ca 0.00 0.00 0.26 0.00 -1.00 0.00 0.00 59.36 58.62 1jus h GLU 139 Cb 0.15 0.00 -0.14 0.00 0.50 0.00 0.00 28.75 29.25 1jus h GLU 139 CO 0.00 0.34 0.75 1.67 -1.00 0.00 0.00 179.01 180.77 1jus s TRP 140 N -3.62 -0.11 -0.29 4.33 -2.14 -1.20 -5.00 118.94 110.90 1jus s TRP 140 Ca 0.00 0.00 0.02 0.00 2.66 0.00 0.00 56.10 58.79 1jus s TRP 140 Cb 0.11 0.55 0.08 0.00 -3.10 0.00 0.00 33.47 31.10 1jus s TRP 140 CO 0.67 -0.34 -0.01 0.45 -2.66 0.00 0.00 176.95 175.07 1jus s SER 141 N -2.64 4.39 -0.16 -2.66 0.15 -1.26 -4.12 113.70 107.40 1jus s SER 141 Ca 0.11 -1.68 0.01 0.00 0.70 0.00 0.00 55.95 55.08 1jus s SER 141 Cb 0.01 -1.41 0.02 0.00 -1.71 0.00 0.00 66.02 62.93 1jus s SER 141 CO -0.04 -0.30 -0.16 0.27 1.20 0.00 0.00 173.24 174.21 1jus s ILE 142 N 1.15 1.73 0.01 6.45 -4.36 -1.26 -3.99 121.20 120.93 1jus s ILE 142 Ca 0.02 -0.74 -0.11 0.00 -0.26 0.00 0.00 60.65 59.57 1jus s ILE 142 Cb -0.19 -1.60 -0.06 0.00 1.25 0.00 0.00 42.46 41.86 1jus s ILE 142 CO -0.09 0.48 0.88 0.78 0.24 0.00 0.00 174.94 177.23 1jus h ASN 143 N 8.01 -0.32 -3.13 4.36 4.21 -2.01 -3.39 115.58 123.31 1jus h ASN 143 Ca -0.41 0.01 -0.69 0.00 1.21 0.00 0.00 56.30 56.43 1jus h ASN 143 Cb 1.14 0.08 -0.18 0.00 -1.12 0.00 0.00 38.32 38.23 1jus h ASN 143 CO 0.56 -0.18 0.08 -0.62 -1.29 0.00 0.00 177.43 175.99 1jus s ASP 144 N -3.09 6.21 0.17 5.81 3.68 -1.26 -4.88 116.67 123.31 1jus s ASP 144 Ca -0.06 -1.07 0.09 0.00 2.13 0.00 0.00 52.55 53.64 1jus s ASP 144 Cb 0.01 -2.30 -0.06 0.00 -1.45 0.00 0.00 42.92 39.11 1jus s ASP 144 CO 0.17 -0.98 1.36 0.58 0.13 0.00 0.00 175.17 176.43 1jus h VAL 145 N 5.89 1.54 -0.43 1.11 2.07 -1.99 -3.15 116.25 121.28 1jus h VAL 145 Ca -0.28 -3.02 -0.11 0.00 0.82 0.00 0.00 66.70 64.11 1jus h VAL 145 Cb 1.09 2.66 -0.02 0.00 -1.52 0.00 0.00 31.29 33.51 1jus h VAL 145 CO 1.01 0.84 -0.18 0.78 0.02 0.00 0.00 177.57 180.04 1jus h ASN 146 N 0.00 0.85 -0.16 0.57 4.21 -1.97 -0.44 115.58 118.64 1jus h ASN 146 Ca -0.01 -0.29 -0.04 0.00 1.21 0.00 0.00 56.30 57.16 1jus h ASN 146 Cb 1.59 -0.23 -0.00 0.00 -1.12 0.00 0.00 38.32 38.56 1jus h ASN 146 CO 0.11 1.02 -0.07 0.00 -1.29 0.00 0.00 177.43 177.20 1jus h ALA 147 N 1.05 0.22 -0.63 -0.83 0.00 -1.98 -1.54 119.26 115.54 1jus h ALA 147 Ca 0.11 -0.26 -0.08 0.00 0.00 0.00 0.00 54.91 54.68 1jus h ALA 147 Cb 0.71 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.42 1jus h ALA 147 CO 0.05 0.02 0.10 0.28 0.00 0.00 0.00 179.25 179.70 1jus h VAL 148 N 0.01 1.26 -0.92 0.00 2.07 -1.53 0.13 116.25 117.26 1jus h VAL 148 Ca 0.04 -1.02 0.01 0.00 0.82 0.00 0.00 66.70 66.55 1jus h VAL 148 Cb 0.53 0.69 -0.05 0.00 -1.52 0.00 0.00 31.29 30.94 1jus h VAL 148 CO 0.02 0.38 0.61 0.28 0.02 0.00 0.00 177.57 178.88 1jus h SER 149 N 0.97 1.06 -0.06 0.57 0.02 -1.00 0.11 113.55 115.21 1jus h SER 149 Ca 0.19 -0.03 -0.09 0.00 -0.84 0.00 0.00 61.79 61.02 1jus h SER 149 Cb 0.43 -0.27 0.00 0.00 0.14 0.00 0.00 62.40 62.71 1jus h SER 149 CO 0.01 0.77 -0.31 0.11 -1.14 0.00 0.00 176.83 176.28 1jus h LYS 150 N 1.25 0.32 -1.00 3.45 1.57 -0.83 -1.81 116.57 119.52 1jus h LYS 150 Ca 0.34 -0.26 0.07 0.00 -1.87 0.00 0.00 60.65 58.93 1jus h LYS 150 Cb -0.14 0.05 -0.07 0.00 0.08 0.00 0.00 32.23 32.15 1jus h LYS 150 CO -0.07 0.90 0.64 0.82 -0.57 0.00 0.00 179.45 181.17 1jus h ILE 151 N -0.18 1.06 0.48 1.86 2.04 -0.46 -1.50 117.51 120.80 1jus h ILE 151 Ca -0.02 -0.39 -0.02 0.00 1.00 0.00 0.00 64.86 65.43 1jus h ILE 151 Cb 0.96 -0.18 0.00 0.00 -0.74 0.00 0.00 36.82 36.87 1jus h ILE 151 CO 0.06 0.21 -0.23 0.00 0.00 0.00 0.00 178.15 178.19 1jus h ALA 152 N 1.47 -0.71 -0.96 1.87 0.00 -0.79 -1.18 119.26 118.97 1jus h ALA 152 Ca 0.44 -0.14 0.26 0.00 0.00 0.00 0.00 54.91 55.47 1jus h ALA 152 Cb 0.22 0.25 -0.13 0.00 0.00 0.00 0.00 17.79 18.12 1jus h ALA 152 CO -0.18 -0.66 0.49 0.00 0.00 0.00 0.00 179.25 178.89 1jus h ALA 153 N -1.30 1.67 -0.09 0.00 0.00 -1.24 0.10 119.26 118.41 1jus h ALA 153 Ca -0.07 0.16 -0.23 0.00 0.00 0.00 0.00 54.91 54.77 1jus h ALA 153 Cb 0.49 0.13 0.01 0.00 0.00 0.00 0.00 17.79 18.42 1jus h ALA 153 CO 0.11 -0.39 -0.87 -0.91 0.00 0.00 0.00 179.25 177.19 1jus h ASN 154 N 0.42 0.88 0.49 0.00 -0.26 -1.31 -1.37 115.58 114.42 1jus h ASN 154 Ca 0.63 -0.62 -0.02 0.00 -0.56 0.00 0.00 56.30 55.73 1jus h ASN 154 Cb 1.28 -0.26 0.00 0.00 -1.06 0.00 0.00 38.32 38.29 1jus h ASN 154 CO -0.55 1.42 -0.24 0.00 -1.06 0.00 0.00 177.43 177.00 1jus h ALA 155 N 0.55 -0.66 0.09 -0.83 0.00 0.05 -1.57 119.26 116.90 1jus h ALA 155 Ca -0.08 -0.18 0.02 0.00 0.00 0.00 0.00 54.91 54.67 1jus h ALA 155 Cb 1.50 0.26 -0.03 0.00 0.00 0.00 0.00 17.79 19.51 1jus h ALA 155 CO 0.17 -0.79 -0.23 0.28 0.00 0.00 0.00 179.25 178.68 1jus h VAL 156 N -0.82 0.48 -1.01 0.00 2.07 -1.12 -1.65 116.25 114.19 1jus h VAL 156 Ca -0.07 0.00 0.25 0.00 0.82 0.00 0.00 66.70 67.70 1jus h VAL 156 Cb 0.58 0.48 -0.09 0.00 -1.52 0.00 0.00 31.29 30.74 1jus h VAL 156 CO 0.11 0.00 0.66 -1.13 0.02 0.00 0.00 177.57 177.23 1jus h ASN 157 N -0.42 0.44 -0.31 0.57 -0.73 -1.21 0.41 115.58 114.34 1jus h ASN 157 Ca 0.03 0.07 -0.15 0.00 1.87 0.00 0.00 56.30 58.12 1jus h ASN 157 Cb 0.45 -0.00 -0.01 0.00 0.27 0.00 0.00 38.32 39.03 1jus h ASN 157 CO -0.15 0.11 -0.38 1.23 -0.37 0.00 0.00 177.43 177.87 1jus h GLY 158 N 0.40 0.94 1.06 1.57 0.00 -0.37 -1.90 103.07 104.78 1jus h GLY 158 Ca 0.57 -0.95 -0.10 0.00 0.00 0.00 0.00 47.33 46.85 1jus h GLY 158 CO -0.27 0.85 -0.03 -2.22 0.00 0.00 0.00 176.54 174.88 1jus h ILE 159 N 0.70 1.27 -0.48 2.60 2.04 0.36 -0.10 117.51 123.90 1jus h ILE 159 Ca 0.06 -1.16 -0.07 0.00 1.00 0.00 0.00 64.86 64.69 1jus h ILE 159 Cb 0.96 0.91 -0.02 0.00 -0.74 0.00 0.00 36.82 37.93 1jus h ILE 159 CO 0.09 0.41 0.04 0.58 0.00 0.00 0.00 178.15 179.28 1jus h VAL 160 N 0.87 1.26 0.00 1.67 2.07 -0.86 -3.32 116.25 117.94 1jus h VAL 160 Ca 0.15 -0.99 -0.14 0.00 0.82 0.00 0.00 66.70 66.54 1jus h VAL 160 Cb 0.58 0.95 -0.02 0.00 -1.52 0.00 0.00 31.29 31.28 1jus h VAL 160 CO 0.03 0.35 -1.25 0.71 0.02 0.00 0.00 177.57 177.44 1jus h THR 161 N 0.69 0.50 -0.64 2.57 1.35 -1.29 -3.38 112.91 112.72 1jus h THR 161 Ca 0.14 -1.93 -0.19 0.00 -0.55 0.00 0.00 66.41 63.88 1jus h THR 161 Cb 0.45 2.04 -0.11 0.00 -1.73 0.00 0.00 68.15 68.79 1jus h THR 161 CO 0.02 0.29 0.24 0.49 -0.25 0.00 0.00 175.52 176.30 1jus n PHE 162 N -2.92 2.11 -2.72 4.73 3.01 -0.06 -4.36 117.46 117.25 1jus n PHE 162 Ca -0.07 -1.05 -0.04 0.00 1.01 0.00 0.00 57.45 57.29 1jus n PHE 162 Cb 0.80 -0.62 0.08 0.00 -0.01 0.00 0.00 39.48 39.73 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 -0.09 0.63 1.48 4.37 -2.24 -1.25 -4.95 114.28 112.23 1jus n THR 163 Ca 0.35 -2.20 0.03 0.00 -2.27 0.00 0.00 64.05 59.96 1jus n THR 163 Cb 1.24 1.00 0.07 0.00 -2.10 0.00 0.00 70.33 70.54 1jus n THR 163 CO 0.00 0.00 0.00 1.57 -0.57 0.00 0.00 175.07 176.07 1jus n HIS 164 N -0.69 0.22 -0.04 4.78 -0.00 -1.26 -4.08 115.22 114.14 1jus n HIS 164 Ca -0.01 -0.11 -0.20 0.00 0.46 0.00 0.00 57.72 57.86 1jus n HIS 164 Cb 0.83 -0.00 -0.13 0.00 -0.12 0.00 0.00 29.99 30.57 1jus n HIS 164 CO 0.00 0.00 0.00 -0.85 0.46 0.00 0.00 176.34 175.95 1jus n GLU 165 N -0.03 0.72 -1.46 1.57 0.00 -1.26 -5.04 120.64 115.14 1jus n GLU 165 Ca 0.05 0.23 -0.13 0.00 0.00 0.00 0.00 57.16 57.31 1jus n GLU 165 Cb 0.14 -1.65 0.08 0.00 0.00 0.00 0.00 31.44 30.01 1jus n GLU 165 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1jus n GLN 166 N -3.44 -0.06 -1.60 3.44 10.64 -1.26 -5.01 117.38 120.09 1jus n GLN 166 Ca -0.37 -1.34 -0.46 0.00 -1.83 0.00 0.00 57.00 53.00 1jus n GLN 166 Cb 1.02 -0.47 -0.04 0.00 -0.86 0.00 0.00 30.24 29.88 1jus n GLN 166 CO 0.00 0.00 0.00 -1.71 -1.83 0.00 0.00 177.06 173.52 1jus n ASN 167 N -3.11 3.23 0.18 2.61 4.05 -1.26 -4.82 115.26 116.14 1jus n ASN 167 Ca 0.09 0.55 0.08 0.00 0.45 0.00 0.00 54.58 55.75 1jus n ASN 167 Cb 0.31 -1.45 0.45 0.00 1.23 0.00 0.00 39.78 40.33 1jus n ASN 167 CO 0.00 0.00 0.00 -0.29 -3.05 0.00 0.00 177.26 173.92 1jus h ILE 168 N 6.47 0.00 0.09 -1.44 6.09 -1.94 0.35 117.51 127.12 1jus h ILE 168 Ca -0.42 0.00 -0.31 0.00 -1.37 0.00 0.00 64.86 62.77 1jus h ILE 168 Cb 1.26 0.37 -0.02 0.00 0.47 0.00 0.00 36.82 38.90 1jus h ILE 168 CO 0.97 0.00 -1.62 0.78 -3.07 0.00 0.00 178.15 175.20 1jus h ASN 169 N 0.00 0.28 0.64 2.19 2.35 -1.99 -2.48 115.58 116.57 1jus h ASN 169 Ca 0.00 -0.46 -0.14 0.00 -0.55 0.00 0.00 56.30 55.15 1jus h ASN 169 Cb 0.50 -0.09 -0.02 0.00 0.05 0.00 0.00 38.32 38.76 1jus h ASN 169 CO 0.00 1.39 -0.67 -0.08 -1.65 0.00 0.00 177.43 176.42 1jus h GLU 170 N 0.05 0.03 0.30 0.81 4.22 -0.76 -1.15 114.58 118.08 1jus h GLU 170 Ca -0.27 -0.03 -0.01 0.00 0.08 0.00 0.00 59.36 59.13 1jus h GLU 170 Cb 2.00 0.01 0.00 0.00 0.50 0.00 0.00 28.75 31.26 1jus h GLU 170 CO 0.13 0.69 -0.14 0.00 -2.18 0.00 0.00 179.01 177.51 1jus h ARG 171 N 0.02 -0.39 -1.01 1.92 3.08 -1.15 0.30 114.38 117.15 1jus h ARG 171 Ca -0.01 0.03 0.04 0.00 0.07 0.00 0.00 59.98 60.11 1jus h ARG 171 Cb 1.20 0.09 -0.06 0.00 0.08 0.00 0.00 29.97 31.27 1jus h ARG 171 CO 0.09 -0.20 0.66 0.82 -1.07 0.00 0.00 179.97 180.26 1jus h ILE 172 N -0.48 1.15 0.63 2.04 1.08 -1.29 -2.89 117.51 117.75 1jus h ILE 172 Ca -0.04 -0.43 -0.03 0.00 -0.39 0.00 0.00 64.86 63.97 1jus h ILE 172 Cb 0.36 -0.21 0.01 0.00 -3.07 0.00 0.00 36.82 33.91 1jus h ILE 172 CO 0.07 0.23 -0.30 0.50 -0.69 0.00 0.00 178.15 177.95 1jus h LYS 173 N 1.25 -0.81 -1.94 2.37 3.64 -0.82 -1.40 116.57 118.86 1jus h LYS 173 Ca 0.41 0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.85 1jus h LYS 173 Cb 0.05 0.18 0.00 0.00 -0.41 0.00 0.00 32.23 32.05 1jus h LYS 173 CO -0.14 -0.52 0.00 1.28 -2.27 0.00 0.00 179.45 177.80 1jus n LEU 174 N -5.43 0.00 0.00 5.20 4.77 0.06 -1.16 117.00 120.43 1jus n LEU 174 Ca -0.13 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.85 1jus n LEU 174 Cb 0.35 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.44 1jus n LEU 174 CO 0.37 0.00 0.00 0.59 -1.33 0.00 0.00 177.39 177.02 1jus n ASN 176 N 1.21 0.00 0.11 -1.43 5.03 -0.53 -0.62 115.26 119.04 1jus n ASN 176 Ca 0.00 0.00 0.02 0.00 0.87 0.00 0.00 54.58 55.47 1jus n ASN 176 Cb 0.00 0.00 0.36 0.00 -1.02 0.00 0.00 39.78 39.12 1jus n ASN 176 CO 0.00 0.00 0.00 0.50 -1.83 0.00 0.00 177.26 175.93 1jus h LYS 177 N 0.00 0.24 0.36 3.52 3.11 -1.41 -1.49 116.57 120.90 1jus h LYS 177 Ca 0.00 -0.06 -0.02 0.00 -2.81 0.00 0.00 60.65 57.76 1jus h LYS 177 Cb 0.00 -0.03 0.00 0.00 -1.00 0.00 0.00 32.23 31.20 1jus h LYS 177 CO 0.00 0.42 -0.17 0.35 -2.81 0.00 0.00 179.45 177.23 1jus h PHE 178 N 0.23 -0.45 -1.02 1.91 3.57 -1.13 -2.49 116.94 117.56 1jus h PHE 178 Ca 0.04 -0.01 0.25 0.00 3.53 0.00 0.00 57.97 61.78 1jus h PHE 178 Cb 0.44 0.15 -0.10 0.00 2.79 0.00 0.00 35.95 39.23 1jus h PHE 178 CO 0.01 -0.12 0.64 0.77 -2.23 0.00 0.00 178.31 177.38 1jus h SER 179 N -0.90 0.55 0.16 0.41 0.02 -1.75 -0.19 113.55 111.85 1jus h SER 179 Ca -0.05 0.09 -0.01 0.00 -0.84 0.00 0.00 61.79 60.99 1jus h SER 179 Cb 0.54 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.08 1jus h SER 179 CO 0.08 0.12 -0.08 -0.61 -1.14 0.00 0.00 176.83 175.21 1jus h GLN 180 N 0.49 -0.21 -0.31 3.45 4.15 -1.24 -2.14 115.11 119.30 1jus h GLN 180 Ca 0.60 0.01 0.07 0.00 0.77 0.00 0.00 58.65 60.10 1jus h GLN 180 Cb 1.33 0.05 -0.07 0.00 0.21 0.00 0.00 27.48 29.00 1jus h GLN 180 CO -0.34 0.17 -0.13 0.82 -1.93 0.00 0.00 178.83 177.42 1jus h ILE 181 N -0.63 0.59 0.28 2.39 2.04 -0.78 0.91 117.51 122.30 1jus h ILE 181 Ca -0.02 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.83 1jus h ILE 181 Cb 0.47 0.59 -0.01 0.00 -0.74 0.00 0.00 36.82 37.12 1jus h ILE 181 CO 0.04 0.00 -0.26 0.15 0.00 0.00 0.00 178.15 178.08 1jus h PHE 182 N -0.07 -0.71 -0.88 1.37 3.57 -1.11 0.50 116.94 119.61 1jus h PHE 182 Ca 0.16 0.00 0.19 0.00 3.53 0.00 0.00 57.97 61.85 1jus h PHE 182 Cb 0.31 0.27 -0.11 0.00 2.79 0.00 0.00 35.95 39.21 1jus h PHE 182 CO -0.33 -0.35 0.41 -0.07 -2.23 0.00 0.00 178.31 175.74 1jus h LEU 183 N -0.53 0.42 -0.71 0.59 3.38 -1.21 0.21 115.31 117.45 1jus h LEU 183 Ca -0.04 0.13 0.02 0.00 0.09 0.00 0.00 57.88 58.08 1jus h LEU 183 Cb 0.45 0.08 -0.04 0.00 0.09 0.00 0.00 40.66 41.24 1jus h LEU 183 CO -0.02 0.09 0.46 0.78 0.09 0.00 0.00 178.44 179.84 1jus h ASN 184 N 0.49 0.77 0.00 -0.43 2.35 -0.46 -1.99 115.58 116.32 1jus h ASN 184 Ca 0.52 -0.01 0.00 0.00 -0.55 0.00 0.00 56.30 56.26 1jus h ASN 184 Cb 0.89 -0.18 0.00 0.00 0.05 0.00 0.00 38.32 39.09 1jus h ASN 184 CO -0.46 0.55 0.00 0.61 -1.65 0.00 0.00 177.43 176.48 1jus n GLY 185 N -1.30 -0.57 0.00 2.83 0.00 0.73 -4.73 105.19 102.16 1jus n GLY 185 Ca 0.07 -0.10 0.00 0.00 0.00 0.00 0.00 46.02 45.99 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 -0.93 0.00 0.00 0.99 4.77 -0.75 -5.07 117.00 116.01 1jus n LEU 186 Ca 0.12 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.10 1jus n LEU 186 Cb 0.05 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.14 1jus n LEU 186 CO 0.09 0.00 0.00 -1.20 -1.33 0.00 0.00 177.39 174.95