#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2gby h LEU 3 N 0.00 0.44 -0.63 -4.53 3.38 -1.98 0.73 115.31 112.71 2gby h LEU 3 Ca 0.00 0.01 0.04 0.00 0.09 0.00 0.00 57.88 58.01 2gby h LEU 3 Cb 0.00 -0.08 -0.04 0.00 0.09 0.00 0.00 40.66 40.62 2gby h LEU 3 CO 0.00 0.27 0.38 0.50 0.09 0.00 0.00 178.44 179.67 2gby h LYS 4 N 0.49 0.71 -0.12 1.13 3.64 -1.99 -0.71 116.57 119.72 2gby h LYS 4 Ca 0.29 -0.04 -0.11 0.00 -1.27 0.00 0.00 60.65 59.52 2gby h LYS 4 Cb 0.49 -0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 32.14 2gby h LYS 4 CO -0.09 0.47 -0.41 -0.44 -2.27 0.00 0.00 179.45 176.71 2gby h ASP 5 N 0.73 0.27 -0.38 4.20 3.45 -1.36 -2.71 116.42 120.62 2gby h ASP 5 Ca 0.26 -0.12 -0.12 0.00 0.43 0.00 0.00 57.03 57.49 2gby h ASP 5 Cb 0.06 -0.08 -0.01 0.00 -0.56 0.00 0.00 39.33 38.75 2gby h ASP 5 CO -0.12 0.66 -0.22 0.11 -1.57 0.00 0.00 179.24 178.10 2gby h LYS 6 N 0.22 0.82 0.85 3.56 1.57 -0.42 -1.98 116.57 121.18 2gby h LYS 6 Ca 0.02 -0.37 -0.04 0.00 -1.87 0.00 0.00 60.65 58.39 2gby h LYS 6 Cb 0.83 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 33.12 2gby h LYS 6 CO 0.07 1.00 -0.46 0.82 -0.57 0.00 0.00 179.45 180.30 2gby h ILE 7 N 0.62 0.06 -0.99 1.86 1.08 -1.08 -0.53 117.51 118.52 2gby h ILE 7 Ca 0.08 0.00 0.19 0.00 -0.39 0.00 0.00 64.86 64.74 2gby h ILE 7 Cb 0.78 0.06 -0.11 0.00 -3.07 0.00 0.00 36.82 34.48 2gby h ILE 7 CO 0.06 0.00 0.60 -0.07 -0.69 0.00 0.00 178.15 178.05 2gby h LEU 8 N -1.21 0.77 0.42 1.44 3.38 -1.51 0.56 115.31 119.15 2gby h LEU 8 Ca -0.11 0.10 -0.02 0.00 0.09 0.00 0.00 57.88 57.93 2gby h LEU 8 Cb 0.95 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.67 2gby h LEU 8 CO 0.15 0.27 -0.20 1.23 0.09 0.00 0.00 178.44 179.98 2gby h GLY 9 N 0.75 -0.58 0.99 0.83 0.00 -1.10 -1.94 103.07 102.02 2gby h GLY 9 Ca 0.57 0.22 -0.04 0.00 0.00 0.00 0.00 47.33 48.08 2gby h GLY 9 CO -0.39 -0.21 0.22 -2.08 0.00 0.00 0.00 176.54 174.08 2gby h VAL 10 N -0.87 1.23 0.17 4.60 2.07 -0.68 -2.53 116.25 120.24 2gby h VAL 10 Ca -0.06 -0.73 0.01 0.00 0.82 0.00 0.00 66.70 66.74 2gby h VAL 10 Cb 0.56 0.63 -0.03 0.00 -1.52 0.00 0.00 31.29 30.93 2gby h VAL 10 CO 0.09 0.28 -0.24 0.00 0.02 0.00 0.00 177.57 177.73 2gby h ALA 11 N 1.07 -0.44 -0.85 1.67 0.00 0.07 -0.70 119.26 120.08 2gby h ALA 11 Ca 0.19 -0.05 0.13 0.00 0.00 0.00 0.00 54.91 55.17 2gby h ALA 11 Cb 0.23 0.36 -0.09 0.00 0.00 0.00 0.00 17.79 18.29 2gby h ALA 11 CO -0.01 -0.79 0.46 -0.22 0.00 0.00 0.00 179.25 178.69 2gby h LYS 12 N -0.47 0.68 -0.58 0.00 3.64 -1.27 0.85 116.57 119.42 2gby h LYS 12 Ca 0.01 -0.04 -0.08 0.00 -1.27 0.00 0.00 60.65 59.27 2gby h LYS 12 Cb 0.47 -0.15 -0.02 0.00 -0.41 0.00 0.00 32.23 32.11 2gby h LYS 12 CO -0.10 0.45 0.05 0.93 -2.27 0.00 0.00 179.45 178.52 2gby h GLU 13 N 0.70 0.99 -0.10 1.90 4.39 -1.00 -1.45 114.58 120.02 2gby h GLU 13 Ca 0.44 -0.29 -0.02 0.00 0.34 0.00 0.00 59.36 59.84 2gby h GLU 13 Cb 0.54 -0.10 -0.00 0.00 -0.10 0.00 0.00 28.75 29.08 2gby h GLU 13 CO -0.31 0.96 -0.00 -0.07 -1.16 0.00 0.00 179.01 178.42 2gby h LEU 14 N 0.88 0.17 -0.79 1.33 3.38 -0.14 -1.62 115.31 118.51 2gby h LEU 14 Ca 0.17 -0.32 0.12 0.00 0.09 0.00 0.00 57.88 57.94 2gby h LEU 14 Cb 0.48 -0.05 -0.08 0.00 0.09 0.00 0.00 40.66 41.10 2gby h LEU 14 CO 0.02 0.45 0.40 -0.26 0.09 0.00 0.00 178.44 179.14 2gby h PHE 15 N -0.11 0.71 -0.72 1.13 0.05 -0.80 0.44 116.94 117.64 2gby h PHE 15 Ca 0.03 0.03 -0.04 0.00 3.82 0.00 0.00 57.97 61.81 2gby h PHE 15 Cb 0.36 -0.20 -0.03 0.00 2.00 0.00 0.00 35.95 38.08 2gby h PHE 15 CO 0.04 0.21 0.28 0.82 -0.18 0.00 0.00 178.31 179.47 2gby h ILE 16 N 0.62 1.25 0.00 -0.55 2.04 -1.02 -0.49 117.51 119.37 2gby h ILE 16 Ca 0.41 -0.80 -0.06 0.00 1.00 0.00 0.00 64.86 65.42 2gby h ILE 16 Cb 0.52 0.43 0.00 0.00 -0.74 0.00 0.00 36.82 37.03 2gby h ILE 16 CO -0.32 0.32 -0.22 0.50 0.00 0.00 0.00 178.15 178.43 2gby h LYS 17 N 1.03 0.14 0.03 2.37 3.64 -0.21 -3.41 116.57 120.15 2gby h LYS 17 Ca 0.24 -0.16 -0.35 0.00 -1.27 0.00 0.00 60.65 59.11 2gby h LYS 17 Cb 0.23 0.05 -0.05 0.00 -0.41 0.00 0.00 32.23 32.05 2gby h LYS 17 CO -0.02 0.92 -1.96 0.09 -2.27 0.00 0.00 179.45 176.21 2gby n ASN 18 N -4.53 1.96 0.00 4.20 5.03 0.14 -5.10 115.26 116.97 2gby n ASN 18 Ca -0.10 0.28 0.00 0.00 0.87 0.00 0.00 54.58 55.63 2gby n ASN 18 Cb 0.50 -0.83 0.00 0.00 -1.02 0.00 0.00 39.78 38.43 2gby n ASN 18 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2gby n GLY 19 N 1.61 0.58 0.08 7.41 0.00 -0.19 -4.75 105.19 109.93 2gby n GLY 19 Ca -0.41 -2.15 -0.15 0.00 0.00 0.00 0.00 46.02 43.31 2gby n GLY 19 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 2gby h TYR 20 N 0.00 0.12 0.30 1.61 3.20 -1.80 -3.34 116.97 117.06 2gby h TYR 20 Ca 0.00 -0.09 -0.01 0.00 3.14 0.00 0.00 58.73 61.77 2gby h TYR 20 Cb 0.00 -0.01 0.00 0.00 1.54 0.00 0.00 36.73 38.27 2gby h TYR 20 CO 0.00 1.05 -0.14 -0.91 -1.64 0.00 0.00 178.16 176.52 2gby h ASN 21 N -0.84 -0.34 0.04 -2.11 2.35 -1.93 -2.99 115.58 109.75 2gby h ASN 21 Ca -0.03 -0.06 -0.00 0.00 -0.55 0.00 0.00 56.30 55.66 2gby h ASN 21 Cb 1.12 0.09 -0.00 0.00 0.05 0.00 0.00 38.32 39.58 2gby h ASN 21 CO 0.03 -0.15 -0.00 0.00 -1.65 0.00 0.00 177.43 175.66 2gby h ALA 22 N 0.16 1.13 -1.76 -0.83 0.00 -1.85 -3.39 119.26 112.72 2gby h ALA 22 Ca -0.04 -0.00 -0.57 0.00 0.00 0.00 0.00 54.91 54.30 2gby h ALA 22 Cb 0.38 -0.00 -0.08 0.00 0.00 0.00 0.00 17.79 18.09 2gby h ALA 22 CO 0.07 0.00 0.85 0.99 0.00 0.00 0.00 179.25 181.16 2gby s THR 23 N -4.25 4.25 -0.05 0.00 2.01 -1.13 -5.01 115.64 111.45 2gby s THR 23 Ca -0.05 1.09 -0.05 0.00 0.31 0.00 0.00 61.69 63.00 2gby s THR 23 Cb 0.13 -4.58 -0.04 0.00 0.01 0.00 0.00 72.50 68.03 2gby s THR 23 CO 0.45 -0.99 0.17 0.42 -0.69 0.00 0.00 174.62 173.97 2gby s THR 24 N 4.33 5.46 0.49 -0.82 -4.23 -1.26 -4.97 115.64 114.64 2gby s THR 24 Ca 0.45 -0.00 0.26 0.00 -1.18 0.00 0.00 61.69 61.21 2gby s THR 24 Cb -0.08 -3.49 0.43 0.00 1.34 0.00 0.00 72.50 70.71 2gby s THR 24 CO 0.30 0.44 1.90 0.00 -0.54 0.00 0.00 174.62 176.73 2gby h THR 25 N 3.29 0.63 0.21 3.99 1.03 -1.96 -1.60 112.91 118.50 2gby h THR 25 Ca -0.51 -0.05 -0.01 0.00 -0.01 0.00 0.00 66.41 65.83 2gby h THR 25 Cb 1.20 0.48 0.00 0.00 -1.07 0.00 0.00 68.15 68.76 2gby h THR 25 CO 0.65 0.03 -0.10 1.23 -0.01 0.00 0.00 175.52 177.31 2gby h GLY 26 N 0.14 -0.30 0.99 2.99 0.00 -1.99 -1.63 103.07 103.28 2gby h GLY 26 Ca 0.41 0.11 0.04 0.00 0.00 0.00 0.00 47.33 47.89 2gby h GLY 26 CO -0.06 -0.11 0.58 -2.09 0.00 0.00 0.00 176.54 174.86 2gby h GLU 27 N -0.38 1.07 -0.46 4.80 4.81 -1.71 -0.89 114.58 121.83 2gby h GLU 27 Ca -0.03 -0.06 0.01 0.00 -0.13 0.00 0.00 59.36 59.15 2gby h GLU 27 Cb 0.29 -0.24 -0.03 0.00 0.63 0.00 0.00 28.75 29.40 2gby h GLU 27 CO 0.05 0.71 0.29 0.82 -0.73 0.00 0.00 179.01 180.15 2gby h ILE 28 N 1.10 1.09 -0.92 2.32 2.04 -1.23 -2.23 117.51 119.68 2gby h ILE 28 Ca 0.36 -0.20 0.02 0.00 1.00 0.00 0.00 64.86 66.03 2gby h ILE 28 Cb 0.04 0.45 -0.05 0.00 -0.74 0.00 0.00 36.82 36.52 2gby h ILE 28 CO -0.11 0.11 0.61 0.58 0.00 0.00 0.00 178.15 179.34 2gby h VAL 29 N 0.59 1.22 0.71 1.67 2.07 -0.22 -1.28 116.25 121.01 2gby h VAL 29 Ca 0.17 -0.42 -0.03 0.00 0.82 0.00 0.00 66.70 67.24 2gby h VAL 29 Cb -0.04 -0.12 0.01 0.00 -1.52 0.00 0.00 31.29 29.62 2gby h VAL 29 CO -0.06 0.22 -0.34 0.50 0.02 0.00 0.00 177.57 177.92 2gby h LYS 30 N 1.23 -0.92 0.00 1.57 3.64 -0.80 -1.97 116.57 119.32 2gby h LYS 30 Ca 0.34 0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.79 2gby h LYS 30 Cb -0.11 0.21 0.00 0.00 -0.41 0.00 0.00 32.23 31.92 2gby h LYS 30 CO -0.08 -0.59 0.00 1.28 -2.27 0.00 0.00 179.45 177.79 2gby n LEU 31 N -5.44 0.54 -1.05 5.20 4.77 -0.88 -1.87 117.00 118.26 2gby n LEU 31 Ca -0.13 0.69 0.10 0.00 -0.03 0.00 0.00 56.01 56.64 2gby n LEU 31 Cb 0.39 -0.70 0.23 0.00 -2.33 0.00 0.00 43.42 41.02 2gby n LEU 31 CO 0.34 -0.74 0.69 -1.54 -1.33 0.00 0.00 177.39 174.81 2gby n SER 32 N -2.16 3.42 -3.73 -1.43 3.41 -0.49 -4.97 113.62 107.67 2gby n SER 32 Ca 0.00 -1.96 -0.31 0.00 -0.26 0.00 0.00 58.87 56.34 2gby n SER 32 Cb 0.11 -0.32 0.03 0.00 -0.26 0.00 0.00 64.21 63.78 2gby n SER 32 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2gby n GLU 33 N 1.25 -1.63 0.00 4.33 1.02 -0.78 -4.82 120.64 120.00 2gby n GLU 33 Ca 0.18 0.45 0.00 0.00 -0.02 0.00 0.00 57.16 57.77 2gby n GLU 33 Cb 0.55 -4.18 0.00 0.00 -0.02 0.00 0.00 31.44 27.78 2gby n GLU 33 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 2gby n SER 34 N -2.72 0.00 -4.00 1.62 2.88 -0.76 -5.08 113.62 105.56 2gby n SER 34 Ca -0.13 0.00 -0.11 0.00 -1.33 0.00 0.00 58.87 57.30 2gby n SER 34 Cb 0.61 0.00 -0.12 0.00 -0.75 0.00 0.00 64.21 63.95 2gby n SER 34 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 2gby s SER 35 N 1.17 0.48 0.20 -3.46 1.04 -1.26 -4.71 113.70 107.16 2gby s SER 35 Ca 0.00 -0.44 -0.10 0.00 0.48 0.00 0.00 55.95 55.89 2gby s SER 35 Cb 0.00 0.05 0.25 0.00 0.10 0.00 0.00 66.02 66.43 2gby s SER 35 CO 0.00 -0.21 1.73 0.11 0.98 0.00 0.00 173.24 175.85 2gby h LYS 36 N 4.84 0.33 -0.05 4.02 1.57 -1.93 0.57 116.57 125.92 2gby h LYS 36 Ca -0.32 -0.02 0.04 0.00 -1.87 0.00 0.00 60.65 58.47 2gby h LYS 36 Cb 1.21 -0.07 -0.06 0.00 0.08 0.00 0.00 32.23 33.38 2gby h LYS 36 CO 0.43 0.22 -0.35 0.78 -0.57 0.00 0.00 179.45 179.95 2gby h GLY 37 N 0.34 -0.57 1.05 3.86 0.00 -1.98 0.32 103.07 106.08 2gby h GLY 37 Ca 0.29 0.43 0.04 0.00 0.00 0.00 0.00 47.33 48.09 2gby h GLY 37 CO -0.32 -0.23 0.54 -0.57 0.00 0.00 0.00 176.54 175.95 2gby h ASN 38 N -0.47 0.85 0.18 0.19 -1.24 -1.57 0.45 115.58 113.98 2gby h ASN 38 Ca 0.07 -0.01 -0.01 0.00 0.71 0.00 0.00 56.30 57.07 2gby h ASN 38 Cb 0.58 -0.19 0.00 0.00 0.73 0.00 0.00 38.32 39.44 2gby h ASN 38 CO -0.32 0.58 -0.09 0.25 -1.29 0.00 0.00 177.43 176.56 2gby h LEU 39 N 0.99 -0.21 -1.62 0.34 6.46 0.13 -2.48 115.31 118.92 2gby h LEU 39 Ca 0.33 -0.13 0.00 0.00 -0.12 0.00 0.00 57.88 57.96 2gby h LEU 39 Cb 0.08 0.05 -0.02 0.00 -0.73 0.00 0.00 40.66 40.04 2gby h LEU 39 CO -0.10 0.01 0.25 1.88 -0.62 0.00 0.00 178.44 179.86 2gby h TYR 40 N -0.42 0.49 0.19 1.25 0.05 0.08 0.55 116.97 119.15 2gby h TYR 40 Ca -0.03 0.01 -0.01 0.00 0.05 0.00 0.00 58.73 58.76 2gby h TYR 40 Cb 0.33 -0.16 0.00 0.00 1.01 0.00 0.00 36.73 37.90 2gby h TYR 40 CO -0.01 0.31 -0.09 -0.92 -1.05 0.00 0.00 178.16 176.39 2gby h TYR 41 N 0.52 -0.24 -0.57 4.88 3.20 -0.77 -3.20 116.97 120.81 2gby h TYR 41 Ca 0.14 -0.01 -0.08 0.00 3.14 0.00 0.00 58.73 61.92 2gby h TYR 41 Cb -0.06 0.08 -0.02 0.00 1.54 0.00 0.00 36.73 38.27 2gby h TYR 41 CO 0.00 -0.04 0.04 0.45 -1.64 0.00 0.00 178.16 176.97 2gby h HIS 42 N -0.40 1.05 -3.19 -3.82 3.86 -0.97 -3.41 115.15 108.28 2gby h HIS 42 Ca -0.03 -0.17 -0.58 0.00 -1.16 0.00 0.00 60.37 58.43 2gby h HIS 42 Cb 0.31 -0.28 -0.35 0.00 1.06 0.00 0.00 27.41 28.14 2gby h HIS 42 CO -0.02 0.94 -0.83 -0.06 0.86 0.00 0.00 177.93 178.82 2gby s PHE 43 N -5.09 1.98 0.21 2.45 0.40 0.14 -5.03 117.98 113.03 2gby s PHE 43 Ca -0.12 -1.02 -0.16 0.00 -0.60 0.00 0.00 56.93 55.03 2gby s PHE 43 Cb 0.13 -1.47 0.21 0.00 0.51 0.00 0.00 43.02 42.40 2gby s PHE 43 CO 0.84 -0.56 1.61 0.87 0.70 0.00 0.00 175.22 178.67 2gby h LYS 44 N 7.80 -0.06 -4.78 0.44 1.57 -1.80 -3.33 116.57 116.42 2gby h LYS 44 Ca -0.34 0.00 -0.41 0.00 -1.87 0.00 0.00 60.65 58.03 2gby h LYS 44 Cb 1.15 0.01 -0.13 0.00 0.08 0.00 0.00 32.23 33.34 2gby h LYS 44 CO 0.50 -0.04 -0.49 0.95 -0.57 0.00 0.00 179.45 179.80 2gby s THR 45 N -6.16 0.00 0.23 -0.16 -4.23 -1.26 -4.84 115.64 99.21 2gby s THR 45 Ca -0.14 -1.97 -0.03 0.00 -1.18 0.00 0.00 61.69 58.37 2gby s THR 45 Cb 0.18 -2.51 0.04 0.00 1.34 0.00 0.00 72.50 71.55 2gby s THR 45 CO 0.72 0.00 1.64 0.50 -0.54 0.00 0.00 174.62 176.94 2gby h LYS 46 N 2.23 0.71 -0.16 3.99 3.64 -1.99 -1.09 116.57 123.91 2gby h LYS 46 Ca -0.27 -0.29 -0.00 0.00 -1.27 0.00 0.00 60.65 58.82 2gby h LYS 46 Cb 1.24 -0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 33.02 2gby h LYS 46 CO 0.40 0.88 0.08 1.49 -2.27 0.00 0.00 179.45 180.03 2gby h GLU 47 N 0.62 0.22 -0.71 1.90 4.22 -1.98 -0.84 114.58 118.00 2gby h GLU 47 Ca 0.08 -0.03 -0.03 0.00 0.08 0.00 0.00 59.36 59.47 2gby h GLU 47 Cb 0.74 -0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.91 2gby h GLU 47 CO 0.06 0.25 0.33 -0.97 -2.18 0.00 0.00 179.01 176.49 2gby h ASN 48 N 0.14 0.92 0.79 1.04 -1.24 -1.90 -0.71 115.58 114.62 2gby h ASN 48 Ca 0.05 -0.11 -0.04 0.00 0.71 0.00 0.00 56.30 56.92 2gby h ASN 48 Cb 0.09 -0.24 0.01 0.00 0.73 0.00 0.00 38.32 38.91 2gby h ASN 48 CO -0.01 0.79 -0.39 0.25 -1.29 0.00 0.00 177.43 176.79 2gby h LEU 49 N 1.01 -0.92 -1.11 0.34 5.85 -0.90 -1.68 115.31 117.89 2gby h LEU 49 Ca 0.24 0.03 0.22 0.00 0.84 0.00 0.00 57.88 59.22 2gby h LEU 49 Cb 0.12 0.24 -0.11 0.00 0.37 0.00 0.00 40.66 41.29 2gby h LEU 49 CO -0.03 -0.65 0.62 0.15 -0.34 0.00 0.00 178.44 178.19 2gby h PHE 50 N -1.07 0.95 -0.04 1.25 3.04 -1.03 0.21 116.94 120.25 2gby h PHE 50 Ca -0.11 0.03 -0.07 0.00 3.98 0.00 0.00 57.97 61.80 2gby h PHE 50 Cb 0.82 -0.28 -0.01 0.00 2.56 0.00 0.00 35.95 39.04 2gby h PHE 50 CO 0.04 0.15 -0.30 1.25 -2.02 0.00 0.00 178.31 177.43 2gby h LEU 51 N 0.63 0.08 -0.15 0.59 5.85 -0.87 -1.20 115.31 120.23 2gby h LEU 51 Ca 0.59 -0.02 -0.22 0.00 0.84 0.00 0.00 57.88 59.07 2gby h LEU 51 Cb 1.11 -0.02 -0.01 0.00 0.37 0.00 0.00 40.66 42.11 2gby h LEU 51 CO -0.38 0.38 -0.97 -0.08 -0.34 0.00 0.00 178.44 177.05 2gby h GLU 52 N 0.07 0.17 -0.45 1.25 4.81 0.32 -1.85 114.58 118.91 2gby h GLU 52 Ca 0.01 -0.23 -0.03 0.00 -0.13 0.00 0.00 59.36 58.99 2gby h GLU 52 Cb 0.58 0.07 -0.02 0.00 0.63 0.00 0.00 28.75 30.01 2gby h GLU 52 CO 0.04 1.02 0.18 0.82 -0.73 0.00 0.00 179.01 180.34 2gby h ILE 53 N 0.08 1.20 -0.95 2.32 2.04 -0.75 -0.76 117.51 120.70 2gby h ILE 53 Ca -0.06 -0.63 -0.00 0.00 1.00 0.00 0.00 64.86 65.17 2gby h ILE 53 Cb 1.65 0.77 -0.05 0.00 -0.74 0.00 0.00 36.82 38.46 2gby h ILE 53 CO 0.15 0.23 0.57 -0.07 0.00 0.00 0.00 178.15 179.04 2gby h LEU 54 N 0.59 1.13 -0.11 1.44 4.07 -1.17 0.13 115.31 121.40 2gby h LEU 54 Ca 0.15 -0.07 -0.01 0.00 0.08 0.00 0.00 57.88 58.04 2gby h LEU 54 Cb 0.19 -0.29 -0.01 0.00 1.08 0.00 0.00 40.66 41.64 2gby h LEU 54 CO -0.01 0.87 0.05 0.78 -1.08 0.00 0.00 178.44 179.05 2gby h ASN 55 N 1.30 0.15 -0.44 -0.43 4.21 -0.73 -1.78 115.58 117.86 2gby h ASN 55 Ca 0.34 -0.14 0.01 0.00 1.21 0.00 0.00 56.30 57.71 2gby h ASN 55 Cb -0.06 -0.04 -0.02 0.00 -1.12 0.00 0.00 38.32 37.08 2gby h ASN 55 CO -0.06 0.25 0.29 0.40 -1.29 0.00 0.00 177.43 177.01 2gby h ILE 56 N 0.04 1.11 0.11 2.81 2.04 -0.74 -1.85 117.51 121.03 2gby h ILE 56 Ca 0.04 -0.20 0.01 0.00 1.00 0.00 0.00 64.86 65.70 2gby h ILE 56 Cb 0.14 0.47 -0.03 0.00 -0.74 0.00 0.00 36.82 36.66 2gby h ILE 56 CO -0.00 0.11 -0.34 -0.33 0.00 0.00 0.00 178.15 177.58 2gby h GLU 57 N 0.59 -0.50 -0.35 2.37 4.39 -0.46 0.99 114.58 121.61 2gby h GLU 57 Ca 0.16 0.03 0.08 0.00 0.34 0.00 0.00 59.36 59.97 2gby h GLU 57 Cb -0.06 0.11 -0.02 0.00 -0.10 0.00 0.00 28.75 28.68 2gby h GLU 57 CO -0.04 -0.33 0.24 1.05 -1.16 0.00 0.00 179.01 178.77 2gby h GLU 58 N -0.52 0.11 0.24 2.33 -0.00 -1.28 -0.80 114.58 114.66 2gby h GLU 58 Ca -0.01 -0.01 -0.01 0.00 -0.00 0.00 0.00 59.36 59.33 2gby h GLU 58 Cb 0.51 -0.02 0.00 0.00 -0.00 0.00 0.00 28.75 29.23 2gby h GLU 58 CO -0.17 0.07 -0.11 1.03 -0.00 0.00 0.00 179.01 179.83 2gby h SER 59 N 0.11 -0.27 -0.96 3.06 0.87 -0.46 0.30 113.55 116.19 2gby h SER 59 Ca 0.16 -0.15 0.09 0.00 -1.23 0.00 0.00 61.79 60.65 2gby h SER 59 Cb 0.50 0.07 -0.07 0.00 -0.44 0.00 0.00 62.40 62.46 2gby h SER 59 CO -0.02 0.00 0.62 0.11 -0.53 0.00 0.00 176.83 177.02 2gby h LYS 60 N -0.56 1.01 0.09 2.24 1.79 0.22 -0.70 116.57 120.68 2gby h LYS 60 Ca -0.03 -0.06 -0.00 0.00 -2.18 0.00 0.00 60.65 58.37 2gby h LYS 60 Cb 0.41 -0.23 0.00 0.00 -1.58 0.00 0.00 32.23 30.83 2gby h LYS 60 CO 0.05 0.67 -0.05 2.35 -1.08 0.00 0.00 179.45 181.40 2gby h TRP 61 N 1.04 -0.12 -0.46 -1.35 -0.00 -1.02 -0.34 115.95 113.70 2gby h TRP 61 Ca 0.44 -0.00 0.07 0.00 -0.00 0.00 0.00 58.89 59.40 2gby h TRP 61 Cb 0.30 0.04 -0.06 0.00 -0.00 0.00 0.00 29.16 29.44 2gby h TRP 61 CO -0.00 0.19 0.10 0.37 -0.00 0.00 0.00 178.44 179.09 2gby h GLN 62 N -0.42 0.23 -0.58 2.65 4.15 -0.57 0.31 115.11 120.87 2gby h GLN 62 Ca -0.01 -0.01 0.01 0.00 0.77 0.00 0.00 58.65 59.40 2gby h GLN 62 Cb 0.35 -0.05 -0.03 0.00 0.21 0.00 0.00 27.48 27.96 2gby h GLN 62 CO 0.02 0.15 0.38 1.49 -1.93 0.00 0.00 178.83 178.95 2gby h GLU 63 N 0.24 0.77 -0.13 1.69 4.57 -1.05 0.55 114.58 121.21 2gby h GLU 63 Ca 0.22 -0.05 -0.01 0.00 -1.18 0.00 0.00 59.36 58.35 2gby h GLU 63 Cb 0.28 -0.17 -0.01 0.00 -0.16 0.00 0.00 28.75 28.69 2gby h GLU 63 CO -0.29 0.51 0.05 0.37 -1.18 0.00 0.00 179.01 178.48 2gby h GLN 64 N 0.79 0.20 -0.41 1.92 4.15 -0.09 -2.67 115.11 119.00 2gby h GLN 64 Ca 0.21 -0.04 -0.01 0.00 0.77 0.00 0.00 58.65 59.59 2gby h GLN 64 Cb -0.09 -0.03 -0.02 0.00 0.21 0.00 0.00 27.48 27.55 2gby h GLN 64 CO -0.05 0.30 0.22 2.35 -1.93 0.00 0.00 178.83 179.73 2gby h TRP 65 N 0.06 0.54 -0.07 3.99 -0.00 -0.11 -1.06 115.95 119.31 2gby h TRP 65 Ca 0.04 -0.00 0.01 0.00 -0.00 0.00 0.00 58.89 58.94 2gby h TRP 65 Cb 0.17 -0.18 -0.01 0.00 -0.00 0.00 0.00 29.16 29.15 2gby h TRP 65 CO -0.01 0.38 0.01 -0.22 -0.00 0.00 0.00 178.44 178.60 2gby h LYS 66 N 0.57 0.04 0.00 2.65 3.64 -0.57 0.61 116.57 123.50 2gby h LYS 66 Ca 0.15 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.53 2gby h LYS 66 Cb 0.02 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 31.83 2gby h LYS 66 CO -0.02 0.02 -0.15 0.36 -2.27 0.00 0.00 179.45 177.39 2gby n LYS 67 N -5.09 0.20 -0.00 1.90 2.85 -1.04 -3.90 118.16 113.08 2gby n LYS 67 Ca -0.06 0.13 -0.17 0.00 -1.05 0.00 0.00 58.31 57.17 2gby n LYS 67 Cb 0.05 -1.70 -0.14 0.00 -0.65 0.00 0.00 35.03 32.59 2gby n LYS 67 CO 0.00 0.00 0.00 -1.91 -0.05 0.00 0.00 177.40 175.44 2gby n GLU 68 N -2.03 0.72 0.32 -1.58 4.07 -0.43 -4.14 120.64 117.56 2gby n GLU 68 Ca 0.05 0.28 0.20 0.00 -0.06 0.00 0.00 57.16 57.63 2gby n GLU 68 Cb 0.41 -1.74 1.08 0.00 -0.06 0.00 0.00 31.44 31.12 2gby n GLU 68 CO 0.00 0.00 0.00 -0.56 -0.06 0.00 0.00 177.13 176.51 2gby h GLN 69 N 0.05 0.00 -0.74 5.31 3.07 -1.00 -1.96 115.11 119.84 2gby h GLN 69 Ca -0.37 0.00 0.03 0.00 0.09 0.00 0.00 58.65 58.40 2gby h GLN 69 Cb 2.03 0.00 -0.04 0.00 0.08 0.00 0.00 27.48 29.55 2gby h GLN 69 CO 0.09 0.01 0.49 0.82 0.09 0.00 0.00 178.83 180.33 2gby h ILE 70 N 0.00 1.12 0.00 1.86 1.08 -1.74 -1.05 117.51 118.78 2gby h ILE 70 Ca -0.00 -0.31 0.00 0.00 -0.39 0.00 0.00 64.86 64.16 2gby h ILE 70 Cb 0.07 0.13 0.00 0.00 -3.07 0.00 0.00 36.82 33.94 2gby h ILE 70 CO 0.00 0.17 0.00 0.29 -0.69 0.00 0.00 178.15 177.92 2gby n LYS 71 N -4.45 0.00 -4.39 2.37 5.02 -0.73 -4.45 118.16 111.53 2gby n LYS 71 Ca 0.09 0.43 -0.33 0.00 -2.02 0.00 0.00 58.31 56.48 2gby n LYS 71 Cb 0.11 -1.50 -0.15 0.00 -0.02 0.00 0.00 35.03 33.47 2gby n LYS 71 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2gby s ALA 72 N -2.95 2.53 0.00 7.82 0.00 -0.40 -5.04 121.76 123.73 2gby s ALA 72 Ca 0.01 -1.08 0.00 0.00 0.00 0.00 0.00 51.96 50.90 2gby s ALA 72 Cb 0.02 -1.29 0.00 0.00 0.00 0.00 0.00 23.12 21.84 2gby s ALA 72 CO 0.05 -0.12 0.29 1.17 0.00 0.00 0.00 175.76 177.15 2gby n LYS 73 N 4.21 0.00 -1.33 0.00 4.81 -1.26 -4.81 118.16 119.78 2gby n LYS 73 Ca -0.19 0.43 -0.30 0.00 -0.87 0.00 0.00 58.31 57.38 2gby n LYS 73 Cb 0.51 -1.09 0.12 0.00 0.02 0.00 0.00 35.03 34.60 2gby n LYS 73 CO 0.00 0.00 0.00 0.95 1.17 0.00 0.00 177.40 179.52 2gby s THR 74 N -1.44 2.80 0.16 3.15 -4.23 -1.26 -4.93 115.64 109.88 2gby s THR 74 Ca 0.00 0.26 0.08 0.00 -1.18 0.00 0.00 61.69 60.85 2gby s THR 74 Cb 0.00 -2.83 -0.15 0.00 1.34 0.00 0.00 72.50 70.86 2gby s THR 74 CO 0.00 -0.34 1.38 0.78 -0.54 0.00 0.00 174.62 175.90 2gby h ASN 75 N -1.39 0.00 -0.73 3.99 2.35 -1.91 -2.50 115.58 115.40 2gby h ASN 75 Ca -0.48 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.25 2gby h ASN 75 Cb 1.28 0.00 -0.04 0.00 0.05 0.00 0.00 38.32 39.61 2gby h ASN 75 CO 0.56 0.87 0.42 -0.09 -1.65 0.00 0.00 177.43 177.54 2gby h ARG 76 N 0.00 1.02 -0.14 0.81 2.43 -1.92 -0.58 114.38 115.99 2gby h ARG 76 Ca -0.01 -0.10 -0.17 0.00 -0.81 0.00 0.00 59.98 58.89 2gby h ARG 76 Cb 1.56 -0.21 -0.01 0.00 -0.42 0.00 0.00 29.97 30.90 2gby h ARG 76 CO 0.11 0.74 -0.60 0.93 -1.51 0.00 0.00 179.97 179.64 2gby h GLU 77 N 1.03 0.49 -0.50 0.20 5.08 -1.90 -2.98 114.58 116.00 2gby h GLU 77 Ca 0.26 -0.33 -0.04 0.00 -1.00 0.00 0.00 59.36 58.25 2gby h GLU 77 Cb 0.00 0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.28 2gby h GLU 77 CO -0.05 0.94 0.14 0.87 -1.00 0.00 0.00 179.01 179.91 2gby h LYS 78 N 0.36 0.75 -0.06 2.33 1.57 -0.83 -0.73 116.57 119.97 2gby h LYS 78 Ca -0.00 -0.14 -0.00 0.00 -1.87 0.00 0.00 60.65 58.63 2gby h LYS 78 Cb 1.15 -0.12 -0.00 0.00 0.08 0.00 0.00 32.23 33.34 2gby h LYS 78 CO 0.11 0.67 0.03 0.35 -0.57 0.00 0.00 179.45 180.04 2gby h PHE 79 N 0.73 0.08 0.33 -1.35 3.57 -1.01 0.14 116.94 119.44 2gby h PHE 79 Ca 0.17 -0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.66 2gby h PHE 79 Cb 0.25 -0.03 -0.02 0.00 2.79 0.00 0.00 35.95 38.95 2gby h PHE 79 CO 0.01 0.17 -0.30 1.88 -2.23 0.00 0.00 178.31 177.85 2gby h TYR 80 N -0.03 -0.80 0.09 0.41 0.05 -1.35 -2.40 116.97 112.94 2gby h TYR 80 Ca 0.02 0.00 0.02 0.00 0.05 0.00 0.00 58.73 58.82 2gby h TYR 80 Cb 0.12 0.31 -0.04 0.00 1.01 0.00 0.00 36.73 38.13 2gby h TYR 80 CO -0.03 -0.43 -0.30 1.25 -1.05 0.00 0.00 178.16 177.59 2gby h LEU 81 N -0.65 -0.87 -0.46 3.88 5.85 -1.07 -1.56 115.31 120.43 2gby h LEU 81 Ca -0.02 0.10 0.09 0.00 0.84 0.00 0.00 57.88 58.90 2gby h LEU 81 Cb 0.58 0.34 -0.09 0.00 0.37 0.00 0.00 40.66 41.86 2gby h LEU 81 CO -0.04 -0.38 -0.11 0.22 -0.34 0.00 0.00 178.44 177.79 2gby h TYR 82 N -0.50 -0.23 -0.09 1.25 3.20 -0.93 0.90 116.97 120.57 2gby h TYR 82 Ca 0.04 0.04 -0.02 0.00 3.14 0.00 0.00 58.73 61.93 2gby h TYR 82 Cb 0.55 0.17 -0.01 0.00 1.54 0.00 0.00 36.73 38.98 2gby h TYR 82 CO -0.29 -0.19 -0.05 -0.91 -1.64 0.00 0.00 178.16 175.08 2gby h ASN 83 N 0.01 0.11 -0.08 -2.11 -0.26 -1.12 -1.51 115.58 110.61 2gby h ASN 83 Ca 0.22 -0.01 -0.11 0.00 -0.56 0.00 0.00 56.30 55.84 2gby h ASN 83 Cb 0.34 -0.03 0.01 0.00 -1.06 0.00 0.00 38.32 37.57 2gby h ASN 83 CO -0.47 0.18 -0.39 -0.08 -1.06 0.00 0.00 177.43 175.61 2gby h GLU 84 N 0.12 0.41 -0.93 0.81 4.22 -0.07 -3.16 114.58 115.98 2gby h GLU 84 Ca 0.03 -0.33 0.04 0.00 0.08 0.00 0.00 59.36 59.18 2gby h GLU 84 Cb 0.17 0.07 -0.05 0.00 0.50 0.00 0.00 28.75 29.43 2gby h GLU 84 CO 0.01 0.97 0.61 -0.07 -2.18 0.00 0.00 179.01 178.35 2gby h LEU 85 N -0.04 1.00 -1.37 1.64 4.07 -0.47 -0.64 115.31 119.50 2gby h LEU 85 Ca -0.03 -0.01 0.22 0.00 0.08 0.00 0.00 57.88 58.15 2gby h LEU 85 Cb 1.04 -0.23 -0.08 0.00 1.08 0.00 0.00 40.66 42.47 2gby h LEU 85 CO 0.08 0.68 0.63 0.28 -1.08 0.00 0.00 178.44 179.03 2gby h SER 86 N 1.16 0.50 0.11 -0.43 0.02 -1.25 0.79 113.55 114.44 2gby h SER 86 Ca 0.37 0.06 -0.14 0.00 -0.84 0.00 0.00 61.79 61.25 2gby h SER 86 Cb 0.03 -0.02 -0.01 0.00 0.14 0.00 0.00 62.40 62.54 2gby h SER 86 CO -0.12 0.17 -0.49 -0.07 -1.14 0.00 0.00 176.83 175.17 2gby h LEU 87 N 0.48 0.48 0.00 5.07 3.38 -1.15 -3.35 115.31 120.22 2gby h LEU 87 Ca 0.53 -0.24 0.00 0.00 0.09 0.00 0.00 57.88 58.26 2gby h LEU 87 Cb 1.22 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.83 2gby h LEU 87 CO -0.25 0.90 -0.96 0.35 0.09 0.00 0.00 178.44 178.57 2gby n THR 88 N -3.97 0.00 -0.96 0.22 -2.24 0.43 -5.01 114.28 102.74 2gby n THR 88 Ca -0.02 -0.21 -0.29 0.00 -2.27 0.00 0.00 64.05 61.25 2gby n THR 88 Cb 0.56 0.76 0.19 0.00 -2.10 0.00 0.00 70.33 69.74 2gby n THR 88 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 2gby s THR 89 N -2.54 2.23 -0.22 4.28 -1.32 0.25 -4.94 115.64 113.37 2gby s THR 89 Ca 0.02 0.07 0.11 0.00 -1.21 0.00 0.00 61.69 60.69 2gby s THR 89 Cb 0.10 -2.40 0.25 0.00 -1.51 0.00 0.00 72.50 68.94 2gby s THR 89 CO 0.59 -0.10 1.17 -1.84 -2.21 0.00 0.00 174.62 172.24 2gby n GLU 90 N -4.32 2.37 -4.55 7.08 0.28 -1.26 -4.85 120.64 115.39 2gby n GLU 90 Ca 0.06 -2.21 -0.32 0.00 -0.16 0.00 0.00 57.16 54.53 2gby n GLU 90 Cb 0.55 -1.37 -0.11 0.00 1.43 0.00 0.00 31.44 31.94 2gby n GLU 90 CO 0.00 0.00 0.00 0.71 -0.16 0.00 0.00 177.13 177.68 2gby s TYR 91 N -1.99 2.75 0.00 -1.84 4.12 -1.26 -4.75 117.35 114.38 2gby s TYR 91 Ca 0.23 -0.13 0.00 0.00 0.02 0.00 0.00 57.07 57.18 2gby s TYR 91 Cb 0.18 -1.55 0.00 0.00 -1.52 0.00 0.00 41.96 39.07 2gby s TYR 91 CO 0.05 0.32 0.00 0.98 0.02 0.00 0.00 175.55 176.92 2gby n TYR 92 N 1.56 0.00 -0.34 2.71 4.19 -1.26 -4.26 117.16 119.76 2gby n TYR 92 Ca -0.16 0.00 0.14 0.00 3.31 0.00 0.00 57.90 61.19 2gby n TYR 92 Cb 0.52 0.00 0.33 0.00 0.49 0.00 0.00 39.34 40.69 2gby n TYR 92 CO 0.00 0.00 0.00 1.88 0.91 0.00 0.00 176.86 179.65 2gby h TYR 93 N 0.00 0.97 0.00 2.98 0.05 -1.90 -0.30 116.97 118.77 2gby h TYR 93 Ca 0.00 0.04 -0.00 0.00 0.05 0.00 0.00 58.73 58.81 2gby h TYR 93 Cb 0.00 -0.28 -0.00 0.00 1.01 0.00 0.00 36.73 37.46 2gby h TYR 93 CO 0.00 0.14 -0.01 -1.35 -1.05 0.00 0.00 178.16 175.89 2gby h PRO 94 N 0.64 0.00 -0.66 4.88 0.11 -1.86 -2.09 132.00 133.03 2gby h PRO 94 Ca 0.59 0.00 -0.07 0.00 0.11 0.00 0.00 66.00 66.63 2gby h PRO 94 Cb 1.01 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 32.08 2gby h PRO 94 CO -0.43 0.01 0.09 1.28 -0.21 0.00 0.00 178.00 178.74 2gby n LEU 95 N -4.24 5.61 0.30 2.35 4.77 -0.13 -4.68 117.00 120.98 2gby n LEU 95 Ca -0.03 -2.87 -0.17 0.00 -0.03 0.00 0.00 56.01 52.91 2gby n LEU 95 Cb 0.10 -0.70 -0.08 0.00 -2.33 0.00 0.00 43.42 40.41 2gby n LEU 95 CO 0.31 0.66 0.62 -0.61 -1.33 0.00 0.00 177.39 177.04 2gby h GLN 96 N 3.37 -0.83 -0.06 3.23 5.75 -1.33 -1.91 115.11 123.33 2gby h GLN 96 Ca 0.08 0.06 0.04 0.00 -0.15 0.00 0.00 58.65 58.68 2gby h GLN 96 Cb 2.02 0.19 -0.06 0.00 1.07 0.00 0.00 27.48 30.70 2gby h GLN 96 CO 0.55 -0.55 -0.36 -0.97 -2.65 0.00 0.00 178.83 174.84 2gby h ASN 97 N -0.86 -1.11 -1.01 -0.69 -1.24 -1.85 0.10 115.58 108.93 2gby h ASN 97 Ca -0.06 0.15 0.24 0.00 0.71 0.00 0.00 56.30 57.34 2gby h ASN 97 Cb 0.73 0.45 -0.09 0.00 0.73 0.00 0.00 38.32 40.13 2gby h ASN 97 CO 0.02 -0.40 0.64 0.00 -1.29 0.00 0.00 177.43 176.39 2gby h ALA 98 N 0.21 2.07 -0.37 1.57 0.00 -1.82 0.48 119.26 121.40 2gby h ALA 98 Ca 0.07 0.06 -0.13 0.00 0.00 0.00 0.00 54.91 54.92 2gby h ALA 98 Cb 0.59 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.37 2gby h ALA 98 CO -0.33 -0.46 -0.27 0.82 0.00 0.00 0.00 179.25 179.01 2gby h ILE 99 N 0.49 1.28 0.21 0.00 2.04 -0.11 -1.18 117.51 120.24 2gby h ILE 99 Ca 0.58 -1.43 -0.00 0.00 1.00 0.00 0.00 64.86 65.00 2gby h ILE 99 Cb 1.30 1.39 -0.01 0.00 -0.74 0.00 0.00 36.82 38.75 2gby h ILE 99 CO -0.31 0.47 -0.26 0.40 0.00 0.00 0.00 178.15 178.45 2gby h ILE 100 N 0.63 0.00 -0.48 -0.67 2.04 0.22 -0.71 117.51 118.54 2gby h ILE 100 Ca 0.07 0.00 0.05 0.00 1.00 0.00 0.00 64.86 65.98 2gby h ILE 100 Cb 0.85 0.00 -0.07 0.00 -0.74 0.00 0.00 36.82 36.85 2gby h ILE 100 CO 0.07 0.00 -0.45 -0.33 0.00 0.00 0.00 178.15 177.44 2gby h GLU 101 N -0.49 -0.20 -0.94 2.37 5.08 -1.14 0.01 114.58 119.28 2gby h GLU 101 Ca -0.03 0.01 0.25 0.00 -1.00 0.00 0.00 59.36 58.60 2gby h GLU 101 Cb 0.43 0.04 -0.13 0.00 0.50 0.00 0.00 28.75 29.59 2gby h GLU 101 CO -0.06 -0.13 0.43 0.35 -1.00 0.00 0.00 179.01 178.60 2gby h PHE 102 N -0.21 0.71 -0.17 4.33 3.04 -1.10 0.45 116.94 123.99 2gby h PHE 102 Ca 0.08 0.04 -0.09 0.00 3.98 0.00 0.00 57.97 61.99 2gby h PHE 102 Cb 0.42 -0.16 -0.00 0.00 2.56 0.00 0.00 35.95 38.76 2gby h PHE 102 CO -0.81 -0.10 -0.23 -0.92 -2.02 0.00 0.00 178.31 174.23 2gby h TYR 103 N 0.36 0.56 0.00 0.41 5.03 0.51 -1.82 116.97 122.02 2gby h TYR 103 Ca 0.62 -0.18 0.00 0.00 2.58 0.00 0.00 58.73 61.74 2gby h TYR 103 Cb 1.26 -0.11 0.00 0.00 1.55 0.00 0.00 36.73 39.42 2gby h TYR 103 CO -0.11 0.86 0.00 1.79 -1.32 0.00 0.00 178.16 179.38 2gby h THR 104 N 0.10 0.00 -0.00 1.81 1.35 0.10 -1.26 112.91 115.01 2gby h THR 104 Ca 0.02 -0.39 0.00 0.00 -0.55 0.00 0.00 66.41 65.50 2gby h THR 104 Cb 0.79 1.25 0.00 0.00 -1.73 0.00 0.00 68.15 68.46 2gby h THR 104 CO 0.05 0.00 -0.71 1.21 -0.25 0.00 0.00 175.52 175.83 2gby n GLU 105 N -2.61 0.26 -1.18 4.72 2.13 0.03 -4.44 120.64 119.55 2gby n GLU 105 Ca 0.02 -0.19 0.02 0.00 0.66 0.00 0.00 57.16 57.67 2gby n GLU 105 Cb 0.28 -1.50 0.01 0.00 0.27 0.00 0.00 31.44 30.51 2gby n GLU 105 CO 0.00 0.00 0.00 0.66 -0.41 0.00 0.00 177.13 177.38 2gby n TYR 106 N -1.20 0.00 1.45 4.31 4.01 -0.70 -4.84 117.16 120.19 2gby n TYR 106 Ca 0.06 -0.36 0.14 0.00 -0.16 0.00 0.00 57.90 57.58 2gby n TYR 106 Cb 0.35 -0.07 0.58 0.00 -0.31 0.00 0.00 39.34 39.89 2gby n TYR 106 CO 0.00 0.00 0.00 2.48 -0.46 0.00 0.00 176.86 178.88 2gby n TYR 107 N 0.33 0.00 0.51 -0.72 4.11 -0.50 -3.27 117.16 117.61 2gby n TYR 107 Ca 0.02 0.00 0.11 0.00 -0.00 0.00 0.00 57.90 58.03 2gby n TYR 107 Cb 0.99 -0.11 0.04 0.00 -0.00 0.00 0.00 39.34 40.25 2gby n TYR 107 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 176.86 178.49 2gby n LYS 108 N -0.66 0.33 -3.11 -3.48 4.76 -1.26 -4.68 118.16 110.06 2gby n LYS 108 Ca 0.16 0.01 -0.45 0.00 -2.87 0.00 0.00 58.31 55.16 2gby n LYS 108 Cb 0.29 -1.62 -0.03 0.00 -1.84 0.00 0.00 35.03 31.82 2gby n LYS 108 CO 0.00 0.00 0.00 0.99 -1.37 0.00 0.00 177.40 177.02 2gby s THR 109 N -3.22 4.96 0.25 -0.18 2.01 -1.20 -4.90 115.64 113.36 2gby s THR 109 Ca 0.03 -1.45 0.15 0.00 0.31 0.00 0.00 61.69 60.74 2gby s THR 109 Cb 0.14 -4.56 0.15 0.00 0.01 0.00 0.00 72.50 68.24 2gby s THR 109 CO 0.79 -1.21 1.37 -1.13 -0.69 0.00 0.00 174.62 173.75 2gby h ASN 110 N 8.80 0.00 0.76 3.53 -1.24 -1.86 -1.00 115.58 124.57 2gby h ASN 110 Ca -0.10 0.00 -0.04 0.00 0.71 0.00 0.00 56.30 56.87 2gby h ASN 110 Cb 1.06 0.00 0.01 0.00 0.73 0.00 0.00 38.32 40.12 2gby h ASN 110 CO 1.03 0.00 -0.36 0.77 -1.29 0.00 0.00 177.43 177.57 2gby h SER 111 N 0.00 -0.86 -0.14 1.15 4.64 -1.92 -2.77 113.55 113.64 2gby h SER 111 Ca 0.00 0.01 -0.04 0.00 -0.47 0.00 0.00 61.79 61.30 2gby h SER 111 Cb 0.81 0.22 -0.00 0.00 -0.31 0.00 0.00 62.40 63.12 2gby h SER 111 CO 0.00 -0.52 -0.06 0.40 -0.87 0.00 0.00 176.83 175.79 2gby h ILE 112 N -1.21 1.31 -1.35 0.95 2.04 -1.50 -3.12 117.51 114.63 2gby h ILE 112 Ca -0.10 -1.06 0.39 0.00 1.00 0.00 0.00 64.86 65.09 2gby h ILE 112 Cb 0.80 1.73 -0.08 0.00 -0.74 0.00 0.00 36.82 38.52 2gby h ILE 112 CO 0.17 0.31 0.93 -1.13 0.00 0.00 0.00 178.15 178.43 2gby h ASN 113 N -0.05 0.13 0.38 1.72 -1.24 -1.42 0.30 115.58 115.41 2gby h ASN 113 Ca 0.03 0.04 -0.02 0.00 0.71 0.00 0.00 56.30 57.07 2gby h ASN 113 Cb 0.51 0.03 0.00 0.00 0.73 0.00 0.00 38.32 39.59 2gby h ASN 113 CO 0.02 -0.02 -0.18 -0.33 -1.29 0.00 0.00 177.43 175.62 2gby h GLU 114 N 0.09 -0.49 -0.92 6.67 4.39 -1.42 0.30 114.58 123.20 2gby h GLU 114 Ca 0.70 0.03 0.10 0.00 0.34 0.00 0.00 59.36 60.54 2gby h GLU 114 Cb 2.49 0.11 -0.07 0.00 -0.10 0.00 0.00 28.75 31.18 2gby h GLU 114 CO -0.15 -0.32 0.59 0.87 -1.16 0.00 0.00 179.01 178.84 2gby h LYS 115 N -0.61 0.88 -0.21 2.33 1.57 -1.32 -1.24 116.57 117.97 2gby h LYS 115 Ca -0.05 -0.05 -0.05 0.00 -1.87 0.00 0.00 60.65 58.63 2gby h LYS 115 Cb 0.39 -0.20 -0.01 0.00 0.08 0.00 0.00 32.23 32.49 2gby h LYS 115 CO 0.08 0.58 -0.06 1.98 -0.57 0.00 0.00 179.45 181.46 2gby h MET 116 N 0.91 0.41 -0.00 3.15 4.05 -0.46 -2.51 114.93 120.47 2gby h MET 116 Ca 0.43 -0.16 -0.12 0.00 -0.28 0.00 0.00 59.70 59.57 2gby h MET 116 Cb 0.44 -0.02 -0.02 0.00 -0.80 0.00 0.00 31.60 31.20 2gby h MET 116 CO -0.20 0.67 -0.58 -0.91 0.23 0.00 0.00 176.91 176.13 2gby h ASN 117 N 0.13 0.02 0.38 1.39 -0.26 -0.56 -1.26 115.58 115.42 2gby h ASN 117 Ca 0.05 -0.01 -0.07 0.00 -0.56 0.00 0.00 56.30 55.71 2gby h ASN 117 Cb 0.53 -0.00 -0.01 0.00 -1.06 0.00 0.00 38.32 37.77 2gby h ASN 117 CO 0.02 0.59 -0.35 0.11 -1.06 0.00 0.00 177.43 176.74 2gby h LYS 118 N 0.01 0.00 -0.01 0.81 1.57 -1.19 -0.98 116.57 116.78 2gby h LYS 118 Ca -0.01 0.00 -0.16 0.00 -1.87 0.00 0.00 60.65 58.61 2gby h LYS 118 Cb 1.02 0.00 0.01 0.00 0.08 0.00 0.00 32.23 33.35 2gby h LYS 118 CO 0.08 0.35 -0.64 -0.07 -0.57 0.00 0.00 179.45 178.60 2gby h LEU 119 N 0.00 0.57 -1.50 2.94 3.38 -0.97 -3.12 115.31 116.61 2gby h LEU 119 Ca -0.00 -0.75 -0.02 0.00 0.09 0.00 0.00 57.88 57.20 2gby h LEU 119 Cb 0.64 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 41.19 2gby h LEU 119 CO 0.05 1.25 0.14 -0.08 0.09 0.00 0.00 178.44 179.89 2gby h GLU 120 N -0.05 0.48 -0.45 1.13 4.57 -0.96 -2.58 114.58 116.73 2gby h GLU 120 Ca -0.08 -0.05 -0.02 0.00 -1.18 0.00 0.00 59.36 58.02 2gby h GLU 120 Cb 1.34 -0.09 -0.02 0.00 -0.16 0.00 0.00 28.75 29.82 2gby h GLU 120 CO 0.13 0.39 0.19 -0.91 -1.18 0.00 0.00 179.01 177.62 2gby h ASN 121 N 0.48 0.62 -0.44 1.04 -0.26 -1.19 -2.91 115.58 112.91 2gby h ASN 121 Ca 0.12 -0.16 -0.05 0.00 -0.56 0.00 0.00 56.30 55.65 2gby h ASN 121 Cb 0.09 -0.16 -0.02 0.00 -1.06 0.00 0.00 38.32 37.17 2gby h ASN 121 CO -0.01 0.61 0.09 0.11 -1.06 0.00 0.00 177.43 177.17 2gby h LYS 122 N 0.58 0.72 0.00 0.81 1.57 -1.40 0.22 116.57 119.07 2gby h LYS 122 Ca 0.15 -0.18 0.00 0.00 -1.87 0.00 0.00 60.65 58.75 2gby h LYS 122 Cb 0.18 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 32.40 2gby h LYS 122 CO -0.01 0.73 0.00 0.98 -0.57 0.00 0.00 179.45 180.58 2gby n TYR 123 N -4.50 0.00 -0.09 -1.35 9.36 -1.07 -2.13 117.16 117.38 2gby n TYR 123 Ca 0.00 0.00 -0.12 0.00 3.32 0.00 0.00 57.90 61.10 2gby n TYR 123 Cb 0.23 -0.31 -0.09 0.00 -0.63 0.00 0.00 39.34 38.54 2gby n TYR 123 CO 0.00 0.00 0.00 -0.89 0.22 0.00 0.00 176.86 176.19 2gby n ILE 124 N -1.31 1.07 -0.15 2.97 5.41 -0.79 -4.47 119.36 122.10 2gby n ILE 124 Ca 0.05 -0.44 0.26 0.00 1.00 0.00 0.00 62.75 63.61 2gby n ILE 124 Cb 0.09 -1.09 0.69 0.00 -0.71 0.00 0.00 39.64 38.63 2gby n ILE 124 CO 0.00 0.00 0.00 -0.78 0.00 0.00 0.00 176.55 175.77 2gby h ASP 125 N 0.00 0.04 -0.36 4.38 3.58 -0.05 0.21 116.42 124.23 2gby h ASP 125 Ca -0.42 0.00 0.03 0.00 0.42 0.00 0.00 57.03 57.07 2gby h ASP 125 Cb 1.69 -0.00 -0.03 0.00 1.72 0.00 0.00 39.33 42.70 2gby h ASP 125 CO -0.05 0.02 0.16 0.00 -2.88 0.00 0.00 179.24 176.48 2gby h ALA 126 N 1.60 0.43 -0.19 -0.78 0.00 -1.75 0.20 119.26 118.77 2gby h ALA 126 Ca 0.39 0.03 -0.14 0.00 0.00 0.00 0.00 54.91 55.19 2gby h ALA 126 Cb 1.50 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 19.25 2gby h ALA 126 CO -0.02 -0.22 -0.46 1.88 0.00 0.00 0.00 179.25 180.43 2gby h TYR 127 N 0.33 0.57 0.29 0.00 0.05 -0.92 -2.89 116.97 114.41 2gby h TYR 127 Ca 0.16 -0.18 0.00 0.00 0.05 0.00 0.00 58.73 58.76 2gby h TYR 127 Cb 0.10 -0.12 -0.03 0.00 1.01 0.00 0.00 36.73 37.69 2gby h TYR 127 CO -0.12 0.85 -0.39 1.25 -1.05 0.00 0.00 178.16 178.69 2gby h HIS 128 N 0.38 -1.09 -0.68 4.88 2.76 0.12 -0.65 115.15 120.89 2gby h HIS 128 Ca 0.02 0.01 0.09 0.00 -2.20 0.00 0.00 60.37 58.30 2gby h HIS 128 Cb 0.95 0.44 -0.07 0.00 1.55 0.00 0.00 27.41 30.28 2gby h HIS 128 CO 0.03 -0.53 0.32 0.28 -1.30 0.00 0.00 177.93 176.73 2gby h VAL 129 N -0.74 0.84 -0.56 5.26 2.07 -0.63 0.21 116.25 122.70 2gby h VAL 129 Ca -0.01 -0.19 -0.01 0.00 0.82 0.00 0.00 66.70 67.31 2gby h VAL 129 Cb 0.70 0.24 -0.03 0.00 -1.52 0.00 0.00 31.29 30.68 2gby h VAL 129 CO -0.13 0.10 0.32 0.40 0.02 0.00 0.00 177.57 178.29 2gby h ILE 130 N 0.55 1.18 -0.17 4.57 2.04 -1.25 0.13 117.51 124.55 2gby h ILE 130 Ca 0.33 -0.43 -0.21 0.00 1.00 0.00 0.00 64.86 65.56 2gby h ILE 130 Cb 0.36 0.44 0.01 0.00 -0.74 0.00 0.00 36.82 36.88 2gby h ILE 130 CO -0.27 0.19 -0.72 -0.26 0.00 0.00 0.00 178.15 177.09 2gby h PHE 131 N 0.76 1.01 0.67 1.37 0.04 -0.53 -0.49 116.94 119.76 2gby h PHE 131 Ca 0.20 -0.42 -0.03 0.00 2.80 0.00 0.00 57.97 60.51 2gby h PHE 131 Cb 0.02 -0.16 0.01 0.00 2.20 0.00 0.00 35.95 38.01 2gby h PHE 131 CO -0.02 1.25 -0.32 -0.22 -0.60 0.00 0.00 178.31 178.40 2gby h LYS 132 N 0.53 -0.86 -0.30 1.51 3.64 -0.47 -1.92 116.57 118.70 2gby h LYS 132 Ca -0.04 0.06 0.09 0.00 -1.27 0.00 0.00 60.65 59.49 2gby h LYS 132 Cb 1.34 0.20 -0.01 0.00 -0.41 0.00 0.00 32.23 33.34 2gby h LYS 132 CO 0.15 -0.57 0.29 1.49 -2.27 0.00 0.00 179.45 178.54 2gby h GLU 133 N -1.22 0.00 -0.12 1.90 4.57 -0.84 0.41 114.58 119.27 2gby h GLU 133 Ca -0.09 0.00 -0.17 0.00 -1.18 0.00 0.00 59.36 57.92 2gby h GLU 133 Cb 0.70 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.28 2gby h GLU 133 CO 0.15 0.00 -0.64 0.78 -1.18 0.00 0.00 179.01 178.12 2gby h GLY 134 N 0.00 0.50 0.88 1.92 0.00 -0.94 -3.21 103.07 102.22 2gby h GLY 134 Ca 0.14 -0.64 -0.01 0.00 0.00 0.00 0.00 47.33 46.82 2gby h GLY 134 CO -0.00 0.57 -0.14 3.43 0.00 0.00 0.00 176.54 180.40 2gby h ASN 135 N 0.33 -0.33 0.00 0.19 2.35 0.62 -2.34 115.58 116.41 2gby h ASN 135 Ca -0.01 -0.08 0.00 0.00 -0.55 0.00 0.00 56.30 55.66 2gby h ASN 135 Cb 1.19 0.09 0.00 0.00 0.05 0.00 0.00 38.32 39.65 2gby h ASN 135 CO 0.11 -0.13 0.00 0.00 -1.65 0.00 0.00 177.43 175.76 2gby n LEU 136 N -5.20 1.28 -0.33 1.61 -0.00 -0.98 -1.85 117.00 111.52 2gby n LEU 136 Ca -0.10 -0.64 0.00 0.00 -0.00 0.00 0.00 56.01 55.27 2gby n LEU 136 Cb 0.21 -0.37 0.00 0.00 -0.00 0.00 0.00 43.42 43.26 2gby n LEU 136 CO 0.34 0.25 0.25 0.59 -0.00 0.00 0.00 177.39 178.82 2gby n ASN 137 N 0.31 0.00 0.00 1.45 3.02 -0.99 -5.01 115.26 114.04 2gby n ASN 137 Ca 0.00 -1.62 0.00 0.00 -0.03 0.00 0.00 54.58 52.93 2gby n ASN 137 Cb 0.25 -0.12 0.00 0.00 -0.61 0.00 0.00 39.78 39.30 2gby n ASN 137 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2gby n GLY 138 N 0.00 0.00 0.32 7.41 0.00 -0.77 -4.73 105.19 107.42 2gby n GLY 138 Ca 0.00 0.00 0.20 0.00 0.00 0.00 0.00 46.02 46.22 2gby n GLY 138 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2gby h GLU 139 N 0.00 0.00 -2.14 1.61 5.08 -1.68 -3.45 114.58 113.99 2gby h GLU 139 Ca 0.00 0.00 0.35 0.00 -1.00 0.00 0.00 59.36 58.71 2gby h GLU 139 Cb 0.20 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 29.38 2gby h GLU 139 CO 0.00 0.00 0.90 1.67 -1.00 0.00 0.00 179.01 180.59 2gby s TRP 140 N -4.29 0.02 -0.14 4.33 -2.14 -1.24 -5.04 118.94 110.45 2gby s TRP 140 Ca -0.05 -0.14 -0.02 0.00 2.66 0.00 0.00 56.10 58.55 2gby s TRP 140 Cb 0.14 0.56 0.04 0.00 -3.10 0.00 0.00 33.47 31.11 2gby s TRP 140 CO 0.46 -0.27 0.01 0.45 -2.66 0.00 0.00 176.95 174.94 2gby s SER 141 N -3.82 2.36 -0.22 -2.66 0.15 -1.25 -4.25 113.70 104.00 2gby s SER 141 Ca 0.30 -0.50 -0.02 0.00 0.70 0.00 0.00 55.95 56.43 2gby s SER 141 Cb -0.01 -0.57 0.01 0.00 -1.71 0.00 0.00 66.02 63.74 2gby s SER 141 CO -0.01 -0.24 -0.08 -0.63 1.20 0.00 0.00 173.24 173.48 2gby s ILE 142 N 1.88 2.91 0.00 6.45 -1.09 -1.26 -4.82 121.20 125.27 2gby s ILE 142 Ca 0.02 -0.78 0.00 0.00 -2.23 0.00 0.00 60.65 57.66 2gby s ILE 142 Cb -0.15 -2.37 0.00 0.00 -1.58 0.00 0.00 42.46 38.37 2gby s ILE 142 CO -0.07 0.36 0.51 -0.46 -1.23 0.00 0.00 174.94 174.05 2gby n ASN 143 N 4.71 0.00 -4.27 3.58 6.94 -1.26 -4.44 115.26 120.53 2gby n ASN 143 Ca -0.18 0.51 -0.36 0.00 -0.02 0.00 0.00 54.58 54.53 2gby n ASN 143 Cb 0.49 -0.01 -0.14 0.00 -2.36 0.00 0.00 39.78 37.77 2gby n ASN 143 CO 0.00 0.00 0.00 -0.62 -1.03 0.00 0.00 177.26 175.61 2gby s ASP 144 N -2.56 4.61 0.10 0.53 2.15 -1.26 -5.00 116.67 115.24 2gby s ASP 144 Ca 0.00 -0.74 -0.16 0.00 0.43 0.00 0.00 52.55 52.08 2gby s ASP 144 Cb 0.00 -1.76 -0.07 0.00 -0.30 0.00 0.00 42.92 40.79 2gby s ASP 144 CO 0.00 -0.13 1.47 0.58 -0.17 0.00 0.00 175.17 176.91 2gby h VAL 145 N 5.97 1.29 -0.94 1.11 2.07 -1.98 -3.04 116.25 120.73 2gby h VAL 145 Ca -0.33 -1.22 0.08 0.00 0.82 0.00 0.00 66.70 66.04 2gby h VAL 145 Cb 1.12 1.46 -0.06 0.00 -1.52 0.00 0.00 31.29 32.28 2gby h VAL 145 CO 0.59 0.39 0.61 0.78 0.02 0.00 0.00 177.57 179.96 2gby h ASN 146 N 0.37 0.93 0.00 0.57 4.21 -1.96 0.20 115.58 119.90 2gby h ASN 146 Ca 0.07 0.01 0.00 0.00 1.21 0.00 0.00 56.30 57.59 2gby h ASN 146 Cb 0.65 -0.18 0.00 0.00 -1.12 0.00 0.00 38.32 37.67 2gby h ASN 146 CO 0.04 0.58 0.00 0.00 -1.29 0.00 0.00 177.43 176.76 2gby n ALA 147 N -2.38 -0.40 -0.37 -0.83 0.00 -1.20 -1.88 120.51 113.44 2gby n ALA 147 Ca 0.15 0.00 0.36 0.00 0.00 0.00 0.00 53.44 53.95 2gby n ALA 147 Cb 0.23 0.00 0.72 0.00 0.00 0.00 0.00 19.45 20.40 2gby n ALA 147 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2gby h VAL 148 N 0.00 0.36 -0.10 0.00 2.07 -1.40 0.24 116.25 117.41 2gby h VAL 148 Ca 0.00 -0.02 -0.05 0.00 0.82 0.00 0.00 66.70 67.45 2gby h VAL 148 Cb 0.00 0.30 -0.00 0.00 -1.52 0.00 0.00 31.29 30.07 2gby h VAL 148 CO 0.00 0.01 -0.15 0.28 0.02 0.00 0.00 177.57 177.73 2gby h SER 149 N 0.05 0.30 -0.91 0.57 0.02 -0.51 -0.31 113.55 112.76 2gby h SER 149 Ca 0.62 -0.53 0.01 0.00 -0.84 0.00 0.00 61.79 61.05 2gby h SER 149 Cb 2.36 -0.09 -0.04 0.00 0.14 0.00 0.00 62.40 64.77 2gby h SER 149 CO -0.07 0.77 0.59 0.11 -1.14 0.00 0.00 176.83 177.10 2gby h LYS 150 N -0.16 1.21 -0.17 3.45 1.57 -0.26 0.68 116.57 122.89 2gby h LYS 150 Ca 0.01 -0.08 -0.01 0.00 -1.87 0.00 0.00 60.65 58.70 2gby h LYS 150 Cb 0.71 -0.27 -0.01 0.00 0.08 0.00 0.00 32.23 32.74 2gby h LYS 150 CO 0.03 0.81 0.07 0.82 -0.57 0.00 0.00 179.45 180.61 2gby h ILE 151 N 1.24 1.16 0.35 1.86 2.04 -1.18 -0.78 117.51 122.20 2gby h ILE 151 Ca 0.33 -0.49 -0.02 0.00 1.00 0.00 0.00 64.86 65.69 2gby h ILE 151 Cb -0.12 1.16 0.00 0.00 -0.74 0.00 0.00 36.82 37.12 2gby h ILE 151 CO -0.07 0.15 -0.18 0.00 0.00 0.00 0.00 178.15 178.05 2gby h ALA 152 N 0.91 -0.49 -0.29 1.87 0.00 -0.66 0.18 119.26 120.77 2gby h ALA 152 Ca 0.06 -0.10 0.07 0.00 0.00 0.00 0.00 54.91 54.93 2gby h ALA 152 Cb 0.18 0.21 -0.08 0.00 0.00 0.00 0.00 17.79 18.10 2gby h ALA 152 CO -0.00 -0.78 -0.23 0.00 0.00 0.00 0.00 179.25 178.23 2gby h ALA 153 N 0.15 -0.07 -0.08 0.00 0.00 -0.78 0.11 119.26 118.60 2gby h ALA 153 Ca -0.04 0.09 -0.13 0.00 0.00 0.00 0.00 54.91 54.83 2gby h ALA 153 Cb 0.39 0.51 -0.01 0.00 0.00 0.00 0.00 17.79 18.68 2gby h ALA 153 CO 0.06 -0.64 -0.54 -0.91 0.00 0.00 0.00 179.25 177.22 2gby h ASN 154 N -0.21 0.24 -0.01 0.00 2.35 -1.03 -0.17 115.58 116.75 2gby h ASN 154 Ca 0.15 -0.13 -0.00 0.00 -0.55 0.00 0.00 56.30 55.78 2gby h ASN 154 Cb 0.45 -0.07 -0.00 0.00 0.05 0.00 0.00 38.32 38.75 2gby h ASN 154 CO -0.42 0.74 0.00 0.00 -1.65 0.00 0.00 177.43 176.10 2gby h ALA 155 N 1.27 0.01 -0.49 -0.83 0.00 0.03 -1.47 119.26 117.78 2gby h ALA 155 Ca 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.79 2gby h ALA 155 Cb 1.00 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.76 2gby h ALA 155 CO 0.08 -0.36 0.32 0.28 0.00 0.00 0.00 179.25 179.58 2gby h VAL 156 N -0.23 1.13 -0.05 0.00 2.07 -0.74 -0.15 116.25 118.28 2gby h VAL 156 Ca 0.00 -0.25 0.01 0.00 0.82 0.00 0.00 66.70 67.29 2gby h VAL 156 Cb 0.26 0.41 -0.00 0.00 -1.52 0.00 0.00 31.29 30.44 2gby h VAL 156 CO 0.00 0.13 0.06 -1.13 0.02 0.00 0.00 177.57 176.65 2gby h ASN 157 N 0.67 0.00 0.17 0.57 -0.73 -0.93 0.05 115.58 115.38 2gby h ASN 157 Ca 0.18 0.00 -0.25 0.00 1.87 0.00 0.00 56.30 58.10 2gby h ASN 157 Cb -0.07 0.00 0.03 0.00 0.27 0.00 0.00 38.32 38.55 2gby h ASN 157 CO -0.04 0.00 -1.07 1.23 -0.37 0.00 0.00 177.43 177.18 2gby h GLY 158 N 0.00 0.47 0.98 1.57 0.00 0.04 -2.57 103.07 103.57 2gby h GLY 158 Ca 0.02 -1.17 -0.01 0.00 0.00 0.00 0.00 47.33 46.18 2gby h GLY 158 CO -0.00 1.03 -0.05 -2.22 0.00 0.00 0.00 176.54 175.29 2gby h ILE 159 N -0.13 0.90 0.03 2.60 1.08 -0.14 -2.47 117.51 119.37 2gby h ILE 159 Ca -0.18 -0.04 -0.00 0.00 -0.39 0.00 0.00 64.86 64.24 2gby h ILE 159 Cb 1.83 0.93 -0.00 0.00 -3.07 0.00 0.00 36.82 36.51 2gby h ILE 159 CO 0.20 0.01 -0.03 0.58 -0.69 0.00 0.00 178.15 178.22 2gby h VAL 160 N -0.17 0.00 0.00 1.67 2.07 -1.14 -2.96 116.25 115.71 2gby h VAL 160 Ca -0.02 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.50 2gby h VAL 160 Cb 0.13 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 29.90 2gby h VAL 160 CO 0.03 0.00 0.00 0.35 0.02 0.00 0.00 177.57 177.97 2gby n THR 161 N -2.42 0.00 -1.56 2.57 -2.24 -0.97 -2.74 114.28 106.91 2gby n THR 161 Ca -0.01 0.00 0.03 0.00 -2.27 0.00 0.00 64.05 61.80 2gby n THR 161 Cb 0.02 -0.26 0.04 0.00 -2.10 0.00 0.00 70.33 68.04 2gby n THR 161 CO 0.00 0.00 0.00 0.49 -0.57 0.00 0.00 175.07 174.99 2gby n PHE 162 N -0.34 0.00 -2.24 4.78 3.01 -0.93 -4.75 117.46 116.99 2gby n PHE 162 Ca 0.00 -0.33 0.02 0.00 1.01 0.00 0.00 57.45 58.15 2gby n PHE 162 Cb 0.02 -0.08 0.01 0.00 -0.01 0.00 0.00 39.48 39.42 2gby n PHE 162 CO 0.00 0.00 0.00 0.25 1.01 0.00 0.00 176.76 178.02 2gby n THR 163 N -0.46 0.00 0.41 4.37 -2.24 -1.11 -4.89 114.28 110.36 2gby n THR 163 Ca 0.05 -0.48 0.00 0.00 -2.27 0.00 0.00 64.05 61.35 2gby n THR 163 Cb 0.65 0.72 0.00 0.00 -2.10 0.00 0.00 70.33 69.60 2gby n THR 163 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 2gby n HIS 164 N 0.24 0.00 0.00 4.78 8.25 -1.25 -3.74 115.22 123.50 2gby n HIS 164 Ca 0.01 -0.08 0.00 0.00 -0.26 0.00 0.00 57.72 57.39 2gby n HIS 164 Cb 0.91 -0.09 0.00 0.00 1.12 0.00 0.00 29.99 31.93 2gby n HIS 164 CO 0.00 0.00 0.00 0.39 0.64 0.00 0.00 176.34 177.37 2gby n GLU 165 N 0.50 0.00 -0.57 -0.41 4.71 -1.26 -5.04 120.64 118.57 2gby n GLU 165 Ca 0.00 0.00 -0.30 0.00 -0.01 0.00 0.00 57.16 56.85 2gby n GLU 165 Cb 0.14 -0.14 0.22 0.00 -1.01 0.00 0.00 31.44 30.65 2gby n GLU 165 CO 0.00 0.00 0.00 1.04 0.09 0.00 0.00 177.13 178.26 2gby n GLN 166 N -1.72 -1.89 -1.22 3.49 3.00 -1.24 -4.95 117.38 112.84 2gby n GLN 166 Ca 0.00 -0.52 -0.32 0.00 -0.01 0.00 0.00 57.00 56.15 2gby n GLN 166 Cb 0.00 -2.04 0.10 0.00 0.00 0.00 0.00 30.24 28.31 2gby n GLN 166 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.06 177.60 2gby s ASN 167 N -2.24 4.16 0.46 1.08 2.20 -1.26 -4.78 114.94 114.56 2gby s ASN 167 Ca 0.64 2.02 0.22 0.00 -0.94 0.00 0.00 52.86 54.79 2gby s ASN 167 Cb -0.21 -2.55 1.21 0.00 -2.00 0.00 0.00 41.25 37.70 2gby s ASN 167 CO 0.65 -2.27 1.89 -0.29 -2.94 0.00 0.00 177.10 174.14 2gby h ILE 168 N -1.01 0.67 -0.50 0.54 6.09 -1.96 -1.82 117.51 119.52 2gby h ILE 168 Ca -0.44 -0.09 -0.12 0.00 -1.37 0.00 0.00 64.86 62.84 2gby h ILE 168 Cb 1.25 0.39 -0.02 0.00 0.47 0.00 0.00 36.82 38.91 2gby h ILE 168 CO 0.49 0.05 -0.14 0.78 -3.07 0.00 0.00 178.15 176.26 2gby h ASN 169 N 0.26 0.99 0.08 2.19 4.21 -1.99 -0.78 115.58 120.54 2gby h ASN 169 Ca 0.42 -0.37 -0.12 0.00 1.21 0.00 0.00 56.30 57.44 2gby h ASN 169 Cb 1.23 -0.27 -0.01 0.00 -1.12 0.00 0.00 38.32 38.15 2gby h ASN 169 CO -0.11 1.13 -0.40 -0.08 -1.29 0.00 0.00 177.43 176.69 2gby h GLU 170 N 0.84 0.42 0.50 0.81 4.22 -1.70 -2.04 114.58 117.63 2gby h GLU 170 Ca 0.12 -0.20 -0.02 0.00 0.08 0.00 0.00 59.36 59.34 2gby h GLU 170 Cb 0.71 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.96 2gby h GLU 170 CO 0.05 0.75 -0.24 0.00 -2.18 0.00 0.00 179.01 177.40 2gby h ARG 171 N 0.35 -0.64 -0.53 1.92 3.08 -1.23 -2.25 114.38 115.08 2gby h ARG 171 Ca 0.03 0.04 0.15 0.00 0.07 0.00 0.00 59.98 60.28 2gby h ARG 171 Cb 0.85 0.15 -0.02 0.00 0.08 0.00 0.00 29.97 31.03 2gby h ARG 171 CO 0.07 -0.34 0.47 0.82 -1.07 0.00 0.00 179.97 179.92 2gby h ILE 172 N -0.89 0.48 -0.15 2.04 2.04 -1.06 0.16 117.51 120.13 2gby h ILE 172 Ca -0.07 0.00 -0.18 0.00 1.00 0.00 0.00 64.86 65.61 2gby h ILE 172 Cb 0.59 0.65 0.01 0.00 -0.74 0.00 0.00 36.82 37.33 2gby h ILE 172 CO 0.11 0.00 -0.60 0.50 0.00 0.00 0.00 178.15 178.16 2gby h LYS 173 N 0.00 0.68 -0.35 2.37 3.64 -1.05 -1.91 116.57 119.95 2gby h LYS 173 Ca 0.25 -0.53 -0.06 0.00 -1.27 0.00 0.00 60.65 59.05 2gby h LYS 173 Cb 1.19 0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 33.10 2gby h LYS 173 CO -0.00 1.14 -0.01 -0.07 -2.27 0.00 0.00 179.45 178.24 2gby h LEU 174 N 0.36 0.61 -1.33 5.20 3.38 -0.18 -2.58 115.31 120.77 2gby h LEU 174 Ca -0.03 -0.32 0.04 0.00 0.09 0.00 0.00 57.88 57.66 2gby h LEU 174 Cb 1.23 -0.16 -0.04 0.00 0.09 0.00 0.00 40.66 41.78 2gby h LEU 174 CO 0.13 0.78 0.48 -0.03 0.09 0.00 0.00 178.44 179.88 2gby h MET 175 N 0.43 0.84 -0.27 1.13 4.05 -1.02 -0.55 114.93 119.53 2gby h MET 175 Ca 0.10 -0.05 -0.16 0.00 -0.28 0.00 0.00 59.70 59.31 2gby h MET 175 Cb 0.47 -0.19 -0.01 0.00 -0.80 0.00 0.00 31.60 31.07 2gby h MET 175 CO 0.02 0.56 -0.47 -0.91 0.23 0.00 0.00 176.91 176.34 2gby h ASN 176 N 0.87 0.78 -0.32 1.39 2.35 -1.21 0.63 115.58 120.06 2gby h ASN 176 Ca 0.29 -0.38 -0.02 0.00 -0.55 0.00 0.00 56.30 55.64 2gby h ASN 176 Cb 0.07 -0.22 -0.01 0.00 0.05 0.00 0.00 38.32 38.21 2gby h ASN 176 CO -0.08 1.12 0.12 0.50 -1.65 0.00 0.00 177.43 177.44 2gby h LYS 177 N 0.57 0.49 0.69 0.81 1.63 -0.97 0.13 116.57 119.93 2gby h LYS 177 Ca 0.03 -0.10 -0.03 0.00 -0.85 0.00 0.00 60.65 59.71 2gby h LYS 177 Cb 1.03 -0.08 -0.00 0.00 -0.60 0.00 0.00 32.23 32.58 2gby h LYS 177 CO 0.10 0.51 -0.41 0.35 -3.45 0.00 0.00 179.45 176.55 2gby h PHE 178 N 0.37 -1.08 -0.98 1.91 3.57 -0.99 0.21 116.94 119.94 2gby h PHE 178 Ca 0.11 -0.01 0.34 0.00 3.53 0.00 0.00 57.97 61.94 2gby h PHE 178 Cb 0.21 0.38 -0.17 0.00 2.79 0.00 0.00 35.95 39.16 2gby h PHE 178 CO 0.00 -0.61 0.43 0.77 -2.23 0.00 0.00 178.31 176.67 2gby h SER 179 N -1.02 0.22 0.11 0.41 0.02 -0.74 0.14 113.55 112.69 2gby h SER 179 Ca -0.09 0.23 -0.01 0.00 -0.84 0.00 0.00 61.79 61.08 2gby h SER 179 Cb 0.81 0.26 0.00 0.00 0.14 0.00 0.00 62.40 63.61 2gby h SER 179 CO 0.11 -0.30 -0.05 -0.61 -1.14 0.00 0.00 176.83 174.84 2gby h GLN 180 N 0.13 -0.14 -0.80 3.45 4.15 -0.23 -1.80 115.11 119.86 2gby h GLN 180 Ca 0.74 0.01 0.07 0.00 0.77 0.00 0.00 58.65 60.24 2gby h GLN 180 Cb 1.78 0.03 -0.10 0.00 0.21 0.00 0.00 27.48 29.40 2gby h GLN 180 CO -0.73 -0.09 -0.47 -0.89 -1.93 0.00 0.00 178.83 174.72 2gby n ILE 181 N -2.57 -0.54 -0.35 2.39 5.41 0.67 -0.34 119.36 124.03 2gby n ILE 181 Ca -0.02 2.11 0.12 0.00 1.00 0.00 0.00 62.75 65.96 2gby n ILE 181 Cb 0.06 -2.63 0.32 0.00 -0.71 0.00 0.00 39.64 36.67 2gby n ILE 181 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 176.55 176.70 2gby h PHE 182 N 0.00 1.05 -0.12 1.39 3.04 -0.84 0.18 116.94 121.64 2gby h PHE 182 Ca 0.13 0.03 -0.17 0.00 3.98 0.00 0.00 57.97 61.94 2gby h PHE 182 Cb 0.33 -0.32 -0.01 0.00 2.56 0.00 0.00 35.95 38.51 2gby h PHE 182 CO -0.94 0.29 -0.65 -0.07 -2.02 0.00 0.00 178.31 174.92 2gby h LEU 183 N 0.80 0.53 -0.04 0.59 4.07 0.23 -3.10 115.31 118.39 2gby h LEU 183 Ca 0.55 -0.32 -0.00 0.00 0.08 0.00 0.00 57.88 58.19 2gby h LEU 183 Cb 0.81 -0.15 -0.00 0.00 1.08 0.00 0.00 40.66 42.40 2gby h LEU 183 CO -0.33 1.04 0.02 -1.13 -1.08 0.00 0.00 178.44 176.96 2gby h ASN 184 N 0.33 0.05 0.00 -0.43 -0.00 0.11 -2.24 115.58 113.41 2gby h ASN 184 Ca -0.02 -0.08 0.00 0.00 -0.00 0.00 0.00 56.30 56.21 2gby h ASN 184 Cb 1.21 -0.01 0.00 0.00 -0.00 0.00 0.00 38.32 39.52 2gby h ASN 184 CO 0.12 0.12 0.02 1.23 -0.00 0.00 0.00 177.43 178.91 2gby h GLY 185 N -0.02 0.00 -2.32 1.57 0.00 -1.19 -2.49 103.07 98.63 2gby h GLY 185 Ca 0.01 0.00 -0.08 0.00 0.00 0.00 0.00 47.33 47.27 2gby h GLY 185 CO -0.00 0.00 0.10 1.04 0.00 0.00 0.00 176.54 177.67 2gby n LEU 186 N -2.88 3.62 0.00 3.11 4.77 -0.84 -5.11 117.00 119.67 2gby n LEU 186 Ca -0.03 -1.84 0.00 0.00 -0.03 0.00 0.00 56.01 54.12 2gby n LEU 186 Cb 0.08 -0.57 0.00 0.00 -2.33 0.00 0.00 43.42 40.60 2gby n LEU 186 CO 0.17 0.60 0.01 -0.24 -1.33 0.00 0.00 177.39 176.60