#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2c4b s ILE 4 N 0.00 4.47 0.00 2.52 1.01 -1.26 -4.87 121.20 123.06 2c4b s ILE 4 Ca 0.00 -1.14 0.02 0.00 0.00 0.00 0.00 60.65 59.53 2c4b s ILE 4 Cb 0.00 -3.63 0.04 0.00 0.01 0.00 0.00 42.46 38.88 2c4b s ILE 4 CO 0.00 -0.40 0.89 -0.46 0.00 0.00 0.00 174.94 174.97 2c4b n ASN 5 N 4.98 0.05 -4.95 3.58 6.94 -1.26 -4.76 115.26 119.84 2c4b n ASN 5 Ca -0.11 -1.76 -0.23 0.00 -0.02 0.00 0.00 54.58 52.46 2c4b n ASN 5 Cb 0.44 -0.14 -0.01 0.00 -2.36 0.00 0.00 39.78 37.71 2c4b n ASN 5 CO 0.00 0.00 0.00 0.42 -1.03 0.00 0.00 177.26 176.65 2c4b s THR 6 N 0.00 4.74 0.13 5.53 -4.23 -1.26 -0.85 115.64 119.70 2c4b s THR 6 Ca 0.03 -0.59 -0.19 0.00 -1.18 0.00 0.00 61.69 59.75 2c4b s THR 6 Cb 0.03 -3.72 -0.04 0.00 1.34 0.00 0.00 72.50 70.11 2c4b s THR 6 CO -0.01 -0.43 1.73 -0.26 -0.54 0.00 0.00 174.62 175.11 2c4b h PHE 7 N 0.73 0.05 -0.02 3.99 0.04 -1.99 -0.23 116.94 119.51 2c4b h PHE 7 Ca -0.49 0.01 -0.22 0.00 2.80 0.00 0.00 57.97 60.08 2c4b h PHE 7 Cb 1.23 0.01 0.00 0.00 2.20 0.00 0.00 35.95 39.39 2c4b h PHE 7 CO 0.48 0.01 -0.89 -0.44 -0.60 0.00 0.00 178.31 176.87 2c4b h ASP 8 N 0.11 0.55 -0.24 2.17 3.32 -1.98 -1.03 116.42 119.32 2c4b h ASP 8 Ca 0.09 -0.42 -0.01 0.00 0.02 0.00 0.00 57.03 56.72 2c4b h ASP 8 Cb 0.10 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 39.47 2c4b h ASP 8 CO -0.13 1.20 0.12 1.23 -1.72 0.00 0.00 179.24 179.94 2c4b h GLY 9 N 1.20 0.37 1.44 2.75 0.00 -1.90 -0.75 103.07 106.18 2c4b h GLY 9 Ca -0.07 -0.18 -0.16 0.00 0.00 0.00 0.00 47.33 46.92 2c4b h GLY 9 CO 0.16 0.17 -0.55 -2.08 0.00 0.00 0.00 176.54 174.23 2c4b h VAL 10 N 0.26 1.32 -0.42 4.60 2.07 -1.06 -1.23 116.25 121.79 2c4b h VAL 10 Ca 0.08 -1.79 0.03 0.00 0.82 0.00 0.00 66.70 65.83 2c4b h VAL 10 Cb 0.11 1.76 -0.03 0.00 -1.52 0.00 0.00 31.29 31.61 2c4b h VAL 10 CO -0.01 0.56 0.23 0.00 0.02 0.00 0.00 177.57 178.37 2c4b h ALA 11 N 0.94 0.52 -0.35 1.67 0.00 -1.09 0.86 119.26 121.82 2c4b h ALA 11 Ca 0.01 0.00 -0.16 0.00 0.00 0.00 0.00 54.91 54.76 2c4b h ALA 11 Cb 1.10 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.80 2c4b h ALA 11 CO 0.11 -0.11 -0.43 -0.44 0.00 0.00 0.00 179.25 178.37 2c4b h ASP 12 N 0.46 0.95 -0.28 0.00 3.32 -1.08 -0.95 116.42 118.85 2c4b h ASP 12 Ca 0.17 -0.45 -0.02 0.00 0.02 0.00 0.00 57.03 56.75 2c4b h ASP 12 Cb 0.05 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 39.32 2c4b h ASP 12 CO -0.10 1.24 0.10 0.22 -1.72 0.00 0.00 179.24 178.98 2c4b h TYR 13 N 0.71 0.44 -0.18 4.55 5.03 -0.90 -0.62 116.97 126.00 2c4b h TYR 13 Ca 0.05 -0.04 0.05 0.00 2.58 0.00 0.00 58.73 61.36 2c4b h TYR 13 Cb 1.02 -0.13 -0.05 0.00 1.55 0.00 0.00 36.73 39.12 2c4b h TYR 13 CO 0.06 0.46 -0.12 -0.07 -1.32 0.00 0.00 178.16 177.17 2c4b h LEU 14 N 0.30 -0.38 -1.23 2.82 3.38 -0.73 0.64 115.31 120.10 2c4b h LEU 14 Ca 0.09 0.08 -0.08 0.00 0.09 0.00 0.00 57.88 58.07 2c4b h LEU 14 Cb 0.21 0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.16 2c4b h LEU 14 CO -0.01 -0.15 -0.37 1.56 0.09 0.00 0.00 178.44 179.56 2c4b h GLN 15 N -0.11 0.00 0.03 1.13 4.20 -0.99 0.21 115.11 119.57 2c4b h GLN 15 Ca 0.11 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.82 2c4b h GLN 15 Cb 0.27 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.05 2c4b h GLN 15 CO -0.25 0.37 -0.01 1.15 -0.67 0.00 0.00 178.83 179.41 2c4b h THR 16 N 0.00 1.41 0.00 -0.54 2.02 -0.77 -3.41 112.91 111.62 2c4b h THR 16 Ca -0.00 -1.77 0.00 0.00 0.77 0.00 0.00 66.41 65.40 2c4b h THR 16 Cb 0.70 2.53 0.00 0.00 -1.74 0.00 0.00 68.15 69.64 2c4b h THR 16 CO 0.05 0.43 -1.06 -1.22 0.37 0.00 0.00 175.52 174.08 2c4b n TYR 17 N -4.73 0.00 -2.72 3.16 4.01 0.19 -4.53 117.16 112.53 2c4b n TYR 17 Ca -0.08 0.00 -0.21 0.00 -0.16 0.00 0.00 57.90 57.45 2c4b n TYR 17 Cb 0.35 -0.09 0.02 0.00 -0.31 0.00 0.00 39.34 39.31 2c4b n TYR 17 CO 0.00 0.00 0.00 0.72 -0.46 0.00 0.00 176.86 177.12 2c4b n HIS 18 N -1.58 -1.48 -3.52 -0.72 8.25 0.72 -4.97 115.22 111.92 2c4b n HIS 18 Ca 0.02 0.29 -0.11 0.00 -0.26 0.00 0.00 57.72 57.65 2c4b n HIS 18 Cb 0.32 -4.14 -0.03 0.00 1.12 0.00 0.00 29.99 27.26 2c4b n HIS 18 CO 0.00 0.00 0.00 -1.59 0.64 0.00 0.00 176.34 175.39 2c4b s LYS 19 N -5.37 1.21 0.59 -0.41 -2.85 -1.26 -5.07 119.74 106.57 2c4b s LYS 19 Ca 0.17 -0.58 -0.17 0.00 -1.00 0.00 0.00 55.97 54.39 2c4b s LYS 19 Cb -0.07 0.54 -0.04 0.00 -2.06 0.00 0.00 37.83 36.20 2c4b s LYS 19 CO 0.21 -0.51 1.08 -0.51 0.10 0.00 0.00 175.35 175.71 2c4b s LEU 20 N -2.78 3.55 1.04 2.77 1.43 -1.26 -3.96 118.68 119.48 2c4b s LEU 20 Ca 0.02 1.92 -0.12 0.00 -1.03 0.00 0.00 54.13 54.92 2c4b s LEU 20 Cb 0.00 -4.55 0.22 0.00 0.03 0.00 0.00 46.19 41.89 2c4b s LEU 20 CO -0.12 -1.22 1.07 -2.16 0.23 0.00 0.00 176.35 174.15 2c4b s PRO 21 N -3.86 0.04 -0.04 1.29 0.04 -1.26 -4.89 135.00 126.33 2c4b s PRO 21 Ca 0.66 0.86 0.02 0.00 0.04 0.00 0.00 61.00 62.57 2c4b s PRO 21 Cb -0.18 -1.67 0.12 0.00 0.04 0.00 0.00 34.50 32.81 2c4b s PRO 21 CO 0.34 -3.08 0.69 -0.40 0.04 0.00 0.00 177.00 174.60 2c4b n ASP 22 N -4.47 1.73 -0.98 6.66 5.68 -1.26 -2.29 116.55 121.62 2c4b n ASP 22 Ca 0.05 -2.14 0.11 0.00 -0.50 0.00 0.00 54.79 52.32 2c4b n ASP 22 Cb 0.55 -0.53 0.14 0.00 -1.14 0.00 0.00 41.12 40.14 2c4b n ASP 22 CO 0.00 0.00 0.00 -0.46 -1.33 0.00 0.00 177.20 175.41 2c4b n ASN 23 N 0.10 3.08 -4.84 -1.12 6.94 -1.26 -5.00 115.26 113.15 2c4b n ASN 23 Ca 0.04 -1.95 -0.35 0.00 -0.02 0.00 0.00 54.58 52.30 2c4b n ASN 23 Cb 0.40 -0.10 -0.06 0.00 -2.36 0.00 0.00 39.78 37.66 2c4b n ASN 23 CO 0.00 0.00 0.00 -0.31 -1.03 0.00 0.00 177.26 175.92 2c4b s TYR 24 N -1.69 3.47 0.01 -2.53 2.02 -0.97 -0.90 117.35 116.76 2c4b s TYR 24 Ca 0.31 0.37 0.02 0.00 -0.37 0.00 0.00 57.07 57.40 2c4b s TYR 24 Cb 0.20 -1.85 -0.01 0.00 -0.40 0.00 0.00 41.96 39.90 2c4b s TYR 24 CO 0.29 0.64 -0.07 0.96 -1.57 0.00 0.00 175.55 175.80 2c4b s ILE 25 N -1.14 0.55 0.84 2.71 -4.36 -0.42 -4.91 121.20 114.47 2c4b s ILE 25 Ca 0.20 -0.57 -0.11 0.00 -0.26 0.00 0.00 60.65 59.91 2c4b s ILE 25 Cb -0.12 -0.51 0.09 0.00 1.25 0.00 0.00 42.46 43.17 2c4b s ILE 25 CO 0.10 -0.03 1.09 0.42 0.24 0.00 0.00 174.94 176.76 2c4b s THR 26 N -0.57 2.97 0.16 8.37 -4.23 -1.16 -0.52 115.64 120.66 2c4b s THR 26 Ca -0.01 0.32 -0.16 0.00 -1.18 0.00 0.00 61.69 60.65 2c4b s THR 26 Cb -0.05 -2.84 0.03 0.00 1.34 0.00 0.00 72.50 70.99 2c4b s THR 26 CO 0.00 -0.41 1.73 0.50 -0.54 0.00 0.00 174.62 175.90 2c4b h LYS 27 N -1.33 0.18 -0.66 3.99 3.64 -1.96 0.13 116.57 120.56 2c4b h LYS 27 Ca -0.47 -0.01 -0.07 0.00 -1.27 0.00 0.00 60.65 58.82 2c4b h LYS 27 Cb 1.26 -0.04 -0.03 0.00 -0.41 0.00 0.00 32.23 33.01 2c4b h LYS 27 CO 0.54 0.12 0.12 0.77 -2.27 0.00 0.00 179.45 178.73 2c4b h SER 28 N 0.19 1.03 -0.50 4.20 0.02 -1.99 0.77 113.55 117.26 2c4b h SER 28 Ca 0.17 -0.23 0.03 0.00 -0.84 0.00 0.00 61.79 60.91 2c4b h SER 28 Cb 0.19 -0.27 -0.04 0.00 0.14 0.00 0.00 62.40 62.42 2c4b h SER 28 CO -0.22 1.01 0.29 -0.08 -1.14 0.00 0.00 176.83 176.69 2c4b h GLU 29 N 1.01 0.56 -0.54 3.45 4.81 -1.83 0.06 114.58 122.12 2c4b h GLU 29 Ca 0.20 -0.03 -0.03 0.00 -0.13 0.00 0.00 59.36 59.37 2c4b h GLU 29 Cb 0.41 -0.13 -0.02 0.00 0.63 0.00 0.00 28.75 29.64 2c4b h GLU 29 CO 0.01 0.37 0.23 0.00 -0.73 0.00 0.00 179.01 178.89 2c4b h ALA 30 N 1.23 0.69 -0.57 2.92 0.00 -0.37 -0.69 119.26 122.47 2c4b h ALA 30 Ca 0.21 -0.15 0.01 0.00 0.00 0.00 0.00 54.91 54.98 2c4b h ALA 30 Cb 0.04 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.59 2c4b h ALA 30 CO -0.10 0.29 0.38 1.96 0.00 0.00 0.00 179.25 181.77 2c4b h GLN 31 N 0.72 0.75 -0.80 0.00 4.20 -0.61 -0.69 115.11 118.68 2c4b h GLN 31 Ca 0.18 -0.05 0.07 0.00 0.06 0.00 0.00 58.65 58.92 2c4b h GLN 31 Cb 0.17 -0.17 -0.05 0.00 0.30 0.00 0.00 27.48 27.72 2c4b h GLN 31 CO -0.02 0.50 0.53 0.00 -0.67 0.00 0.00 178.83 179.17 2c4b h ALA 32 N 1.21 1.65 0.00 3.87 0.00 -0.62 -1.62 119.26 123.75 2c4b h ALA 32 Ca 0.21 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.10 2c4b h ALA 32 Cb -0.09 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.49 2c4b h ALA 32 CO -0.05 0.21 0.00 1.28 0.00 0.00 0.00 179.25 180.69 2c4b n LEU 33 N -4.49 0.00 0.00 0.00 4.77 -0.30 -4.87 117.00 112.11 2c4b n LEU 33 Ca 0.12 0.07 0.00 0.00 -0.03 0.00 0.00 56.01 56.18 2c4b n LEU 33 Cb 0.24 -0.07 0.00 0.00 -2.33 0.00 0.00 43.42 41.26 2c4b n LEU 33 CO 0.33 -0.00 0.00 0.61 -1.33 0.00 0.00 177.39 177.00 2c4b n GLY 34 N 1.00 1.23 3.73 -0.72 0.00 -0.61 -4.85 105.19 104.98 2c4b n GLY 34 Ca 0.21 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.81 2c4b n GLY 34 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 2c4b s TRP 35 N -2.00 3.27 -0.14 1.61 -0.00 -0.34 -4.97 118.94 116.38 2c4b s TRP 35 Ca 0.00 1.20 -0.01 0.00 -0.00 0.00 0.00 56.10 57.29 2c4b s TRP 35 Cb 0.00 -3.60 0.03 0.00 -0.00 0.00 0.00 33.47 29.90 2c4b s TRP 35 CO 0.00 -1.89 -0.06 0.08 -0.00 0.00 0.00 176.95 175.08 2c4b s VAL 36 N 0.26 1.04 0.22 5.86 1.01 -1.26 -4.28 120.40 123.26 2c4b s VAL 36 Ca 0.58 -0.42 -0.08 0.00 0.00 0.00 0.00 61.98 62.06 2c4b s VAL 36 Cb -0.36 -1.13 0.17 0.00 0.00 0.00 0.00 36.38 35.05 2c4b s VAL 36 CO 0.37 0.26 1.77 0.00 0.00 0.00 0.00 175.10 177.50 2c4b h ALA 37 N 8.16 0.93 0.00 5.51 0.00 -2.01 -0.42 119.26 131.44 2c4b h ALA 37 Ca -0.27 0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.70 2c4b h ALA 37 Cb 1.12 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.89 2c4b h ALA 37 CO 0.40 -0.08 0.00 -1.13 0.00 0.00 0.00 179.25 178.44 2c4b n SER 38 N -4.89 0.32 0.14 0.00 3.41 -1.26 -2.36 113.62 108.97 2c4b n SER 38 Ca 0.10 0.57 0.12 0.00 -0.26 0.00 0.00 58.87 59.41 2c4b n SER 38 Cb 0.27 -0.64 0.15 0.00 -0.26 0.00 0.00 64.21 63.73 2c4b n SER 38 CO 0.00 0.00 0.00 0.11 -0.16 0.00 0.00 175.04 174.99 2c4b h LYS 39 N 0.00 0.00 -2.93 4.33 1.57 -1.50 -3.48 116.57 114.55 2c4b h LYS 39 Ca 0.00 0.00 -0.31 0.00 -1.87 0.00 0.00 60.65 58.47 2c4b h LYS 39 Cb 0.35 0.00 0.02 0.00 0.08 0.00 0.00 32.23 32.67 2c4b h LYS 39 CO 0.00 0.00 -0.44 0.41 -0.57 0.00 0.00 179.45 178.85 2c4b n GLY 40 N 1.20 -0.26 1.38 3.86 0.00 -1.00 -4.92 105.19 105.46 2c4b n GLY 40 Ca 0.03 -0.15 0.09 0.00 0.00 0.00 0.00 46.02 45.99 2c4b n GLY 40 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2c4b n ASN 41 N -1.29 4.44 -0.09 1.61 6.94 -1.26 -4.08 115.26 121.53 2c4b n ASN 41 Ca -0.14 -2.47 -0.08 0.00 -0.02 0.00 0.00 54.58 51.87 2c4b n ASN 41 Cb 0.62 -0.53 -0.01 0.00 -2.36 0.00 0.00 39.78 37.50 2c4b n ASN 41 CO 0.00 0.00 0.00 0.25 -1.03 0.00 0.00 177.26 176.48 2c4b h LEU 42 N 3.53 0.25 -0.33 -4.53 5.85 -1.89 -1.39 115.31 116.80 2c4b h LEU 42 Ca 0.00 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.73 2c4b h LEU 42 Cb 1.37 -0.04 0.00 0.00 0.37 0.00 0.00 40.66 42.36 2c4b h LEU 42 CO 0.20 0.19 0.00 0.00 -0.34 0.00 0.00 178.44 178.49 2c4b n ALA 43 N -2.23 1.97 0.03 1.25 0.00 -1.26 -0.41 120.51 119.86 2c4b n ALA 43 Ca -0.01 0.02 -0.19 0.00 0.00 0.00 0.00 53.44 53.27 2c4b n ALA 43 Cb 0.07 -1.42 -0.13 0.00 0.00 0.00 0.00 19.45 17.96 2c4b n ALA 43 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 2c4b h ASP 44 N 0.00 0.53 1.17 0.00 3.32 -1.61 -3.02 116.42 116.81 2c4b h ASP 44 Ca 0.00 -0.86 -0.15 0.00 0.02 0.00 0.00 57.03 56.04 2c4b h ASP 44 Cb 0.54 -0.17 -0.02 0.00 0.22 0.00 0.00 39.33 39.90 2c4b h ASP 44 CO 0.00 1.34 -0.86 -0.37 -1.72 0.00 0.00 179.24 177.63 2c4b h VAL 45 N -0.20 0.91 -2.14 -1.35 -1.51 -1.25 -3.40 116.25 107.31 2c4b h VAL 45 Ca -0.12 -2.38 -0.57 0.00 -1.23 0.00 0.00 66.70 62.40 2c4b h VAL 45 Cb 1.53 2.39 -0.39 0.00 -2.13 0.00 0.00 31.29 32.69 2c4b h VAL 45 CO 0.15 0.52 -1.02 0.00 -1.23 0.00 0.00 177.57 175.98 2c4b n ALA 46 N -2.30 2.69 -1.63 5.19 0.00 0.45 -4.95 120.51 119.97 2c4b n ALA 46 Ca -0.02 -3.45 -0.47 0.00 0.00 0.00 0.00 53.44 49.50 2c4b n ALA 46 Cb 0.81 -0.81 -0.03 0.00 0.00 0.00 0.00 19.45 19.42 2c4b n ALA 46 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 2c4b n PRO 47 N 1.76 1.64 -0.90 0.00 -0.02 -1.14 -1.52 135.00 134.82 2c4b n PRO 47 Ca 0.24 0.58 0.00 0.00 -2.02 0.00 0.00 63.50 62.30 2c4b n PRO 47 Cb 0.50 -2.18 0.00 0.00 -0.02 0.00 0.00 33.50 31.80 2c4b n PRO 47 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2c4b n GLY 48 N 2.20 0.67 3.96 -1.23 0.00 -1.26 -5.02 105.19 104.51 2c4b n GLY 48 Ca 0.14 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.92 2c4b n GLY 48 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2c4b s LYS 49 N -0.30 3.44 0.08 1.61 -0.14 -0.57 -4.83 119.74 119.03 2c4b s LYS 49 Ca 0.00 -0.68 0.05 0.00 -1.36 0.00 0.00 55.97 53.98 2c4b s LYS 49 Cb 0.00 -2.92 -0.03 0.00 -1.68 0.00 0.00 37.83 33.19 2c4b s LYS 49 CO 0.00 0.47 -0.13 -1.12 -0.76 0.00 0.00 175.35 173.81 2c4b s SER 50 N -3.63 1.65 0.19 2.83 0.01 -0.08 -4.79 113.70 109.87 2c4b s SER 50 Ca 0.34 -0.67 -0.30 0.00 1.31 0.00 0.00 55.95 56.63 2c4b s SER 50 Cb -0.10 -0.04 -0.08 0.00 0.21 0.00 0.00 66.02 66.01 2c4b s SER 50 CO 0.29 -0.12 1.21 -0.63 0.41 0.00 0.00 173.24 174.40 2c4b s ILE 51 N -1.57 3.53 -0.19 1.44 1.01 -1.26 -1.30 121.20 122.87 2c4b s ILE 51 Ca 0.00 1.28 -0.33 0.00 0.00 0.00 0.00 60.65 61.61 2c4b s ILE 51 Cb -0.08 -3.82 0.14 0.00 0.01 0.00 0.00 42.46 38.71 2c4b s ILE 51 CO 0.02 0.21 1.18 -0.83 0.00 0.00 0.00 174.94 175.51 2c4b s GLY 52 N 0.14 -0.23 0.00 6.18 0.00 0.33 -0.62 107.32 113.11 2c4b s GLY 52 Ca 0.53 1.85 0.00 0.00 0.00 0.00 0.00 44.72 47.10 2c4b s GLY 52 CO 0.37 0.70 0.00 0.61 0.00 0.00 0.00 173.10 174.78 2c4b n GLY 53 N 0.14 0.85 3.83 0.20 0.00 0.74 -3.01 105.19 107.94 2c4b n GLY 53 Ca -0.02 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.67 2c4b n GLY 53 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2c4b s ASP 54 N -1.78 6.74 0.30 1.61 1.01 -1.22 -4.76 116.67 118.57 2c4b s ASP 54 Ca 0.00 1.62 -0.30 0.00 0.71 0.00 0.00 52.55 54.58 2c4b s ASP 54 Cb 0.00 -2.52 -0.12 0.00 1.01 0.00 0.00 42.92 41.29 2c4b s ASP 54 CO 0.00 -0.50 1.56 -0.38 0.21 0.00 0.00 175.17 176.05 2c4b n ILE 55 N -1.22 1.13 -3.84 0.77 2.08 -1.26 -1.35 119.36 115.68 2c4b n ILE 55 Ca 0.07 -0.28 -0.36 0.00 0.56 0.00 0.00 62.75 62.74 2c4b n ILE 55 Cb 0.54 -1.90 -0.12 0.00 -0.75 0.00 0.00 39.64 37.41 2c4b n ILE 55 CO 0.00 0.00 0.00 0.12 0.56 0.00 0.00 176.55 177.23 2c4b s PHE 56 N -0.14 3.08 -0.19 1.39 5.36 0.12 -4.82 117.98 122.78 2c4b s PHE 56 Ca 0.63 -0.44 0.23 0.00 -0.96 0.00 0.00 56.93 56.40 2c4b s PHE 56 Cb -0.51 -2.19 0.57 0.00 -0.34 0.00 0.00 43.02 40.54 2c4b s PHE 56 CO 0.50 -0.32 1.68 0.66 -1.46 0.00 0.00 175.22 176.28 2c4b h SER 57 N 8.00 0.00 -5.80 6.13 4.64 -1.95 -3.38 113.55 121.19 2c4b h SER 57 Ca -0.38 0.00 -0.42 0.00 -0.47 0.00 0.00 61.79 60.52 2c4b h SER 57 Cb 1.17 0.00 0.07 0.00 -0.31 0.00 0.00 62.40 63.33 2c4b h SER 57 CO 0.59 0.14 -0.69 -3.20 -0.87 0.00 0.00 176.83 172.80 2c4b n ASN 58 N -3.17 -5.83 -0.23 4.97 5.15 -1.26 -4.88 115.26 110.01 2c4b n ASN 58 Ca 0.02 -0.57 0.10 0.00 -0.60 0.00 0.00 54.58 53.53 2c4b n ASN 58 Cb 0.52 -4.62 0.37 0.00 -0.53 0.00 0.00 39.78 35.52 2c4b n ASN 58 CO 0.00 0.00 0.00 0.03 1.40 0.00 0.00 177.26 178.69 2c4b h ARG 59 N -2.31 0.69 -0.00 1.20 3.08 -2.00 -1.17 114.38 113.86 2c4b h ARG 59 Ca -0.56 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 59.45 2c4b h ARG 59 Cb 1.37 -0.15 0.00 0.00 0.08 0.00 0.00 29.97 31.26 2c4b h ARG 59 CO 0.59 0.45 -0.05 0.39 -1.07 0.00 0.00 179.97 180.29 2c4b n GLU 60 N -4.52 0.17 -1.46 0.04 1.02 -1.26 -4.92 120.64 109.71 2c4b n GLU 60 Ca 0.15 -0.02 -0.10 0.00 -0.02 0.00 0.00 57.16 57.17 2c4b n GLU 60 Cb 0.38 -1.50 -0.03 0.00 -0.02 0.00 0.00 31.44 30.27 2c4b n GLU 60 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2c4b n GLY 61 N 1.42 0.88 0.15 0.62 0.00 -0.44 -4.91 105.19 102.91 2c4b n GLY 61 Ca 0.09 -0.58 0.02 0.00 0.00 0.00 0.00 46.02 45.56 2c4b n GLY 61 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2c4b h LYS 62 N 0.00 0.00 -6.31 1.61 1.57 -1.91 -3.43 116.57 108.09 2c4b h LYS 62 Ca -0.20 0.00 -0.56 0.00 -1.87 0.00 0.00 60.65 58.02 2c4b h LYS 62 Cb 0.73 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 33.01 2c4b h LYS 62 CO 0.28 0.52 -0.21 -0.51 -0.57 0.00 0.00 179.45 178.97 2c4b s LEU 63 N -6.68 4.21 0.21 2.94 1.43 -1.26 -4.93 118.68 114.61 2c4b s LEU 63 Ca 0.02 0.76 -0.31 0.00 -1.03 0.00 0.00 54.13 53.58 2c4b s LEU 63 Cb 0.09 -3.51 -0.10 0.00 0.03 0.00 0.00 46.19 42.70 2c4b s LEU 63 CO 0.74 -0.02 1.47 -2.16 0.23 0.00 0.00 176.35 176.61 2c4b s PRO 64 N -2.75 4.26 0.23 1.29 0.04 -1.26 -5.01 135.00 131.79 2c4b s PRO 64 Ca 0.44 2.30 0.02 0.00 0.04 0.00 0.00 61.00 63.81 2c4b s PRO 64 Cb -0.12 -3.13 -0.03 0.00 0.04 0.00 0.00 34.50 31.26 2c4b s PRO 64 CO 0.23 -0.47 0.38 0.20 0.04 0.00 0.00 177.00 177.37 2c4b s GLY 65 N 0.64 1.47 -0.09 0.56 0.00 -1.26 -5.07 107.32 103.57 2c4b s GLY 65 Ca 0.63 -1.05 -0.28 0.00 0.00 0.00 0.00 44.72 44.02 2c4b s GLY 65 CO 0.39 -1.04 0.65 1.25 0.00 0.00 0.00 173.10 174.35 2c4b s LYS 66 N -3.71 0.98 0.16 2.90 2.20 -1.26 -5.06 119.74 115.93 2c4b s LYS 66 Ca 0.36 0.37 -0.34 0.00 -0.36 0.00 0.00 55.97 56.01 2c4b s LYS 66 Cb -0.10 0.46 -0.13 0.00 -1.51 0.00 0.00 37.83 36.55 2c4b s LYS 66 CO 0.30 -0.27 1.62 0.45 -0.36 0.00 0.00 175.35 177.09 2c4b n SER 67 N 1.32 3.28 0.00 1.43 2.88 -1.26 -1.36 113.62 119.91 2c4b n SER 67 Ca -0.18 1.07 0.00 0.00 -1.33 0.00 0.00 58.87 58.43 2c4b n SER 67 Cb 0.57 -1.45 0.00 0.00 -0.75 0.00 0.00 64.21 62.58 2c4b n SER 67 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2c4b n GLY 68 N 3.57 1.56 3.71 0.46 0.00 -1.26 -5.02 105.19 108.20 2c4b n GLY 68 Ca 0.17 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.80 2c4b n GLY 68 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2c4b s ARG 69 N -0.21 4.36 0.30 1.61 3.52 -0.46 -4.95 118.95 123.11 2c4b s ARG 69 Ca 0.00 0.66 0.10 0.00 -0.13 0.00 0.00 55.73 56.37 2c4b s ARG 69 Cb 0.00 -3.47 -0.06 0.00 -1.56 0.00 0.00 34.95 29.86 2c4b s ARG 69 CO 0.00 0.04 -0.15 0.95 -0.81 0.00 0.00 175.30 175.33 2c4b s THR 70 N 0.96 2.28 0.03 4.11 -4.23 -1.26 -4.71 115.64 112.82 2c4b s THR 70 Ca 0.31 -2.30 0.07 0.00 -1.18 0.00 0.00 61.69 58.60 2c4b s THR 70 Cb -0.16 -2.42 -0.02 0.00 1.34 0.00 0.00 72.50 71.23 2c4b s THR 70 CO 0.14 -0.33 -0.21 0.26 -0.54 0.00 0.00 174.62 173.93 2c4b s TRP 71 N -2.62 1.89 0.24 3.99 0.52 -1.26 -0.71 118.94 120.99 2c4b s TRP 71 Ca 0.30 -0.38 0.06 0.00 0.02 0.00 0.00 56.10 56.11 2c4b s TRP 71 Cb -0.01 -1.15 -0.05 0.00 -1.15 0.00 0.00 33.47 31.11 2c4b s TRP 71 CO 0.15 0.07 -0.08 1.03 0.02 0.00 0.00 176.95 178.14 2c4b s ARG 72 N -1.04 1.41 0.15 4.98 0.52 0.06 -0.70 118.95 124.34 2c4b s ARG 72 Ca 0.08 -1.68 0.05 0.00 -0.52 0.00 0.00 55.73 53.66 2c4b s ARG 72 Cb -0.09 -1.02 -0.04 0.00 0.52 0.00 0.00 34.95 34.32 2c4b s ARG 72 CO 0.01 0.06 -0.11 -1.83 0.02 0.00 0.00 175.30 173.46 2c4b s GLU 73 N -3.73 1.09 -0.08 3.54 -1.05 -0.45 -0.86 118.70 117.16 2c4b s GLU 73 Ca 0.26 -1.45 -0.17 0.00 -0.15 0.00 0.00 54.97 53.46 2c4b s GLU 73 Cb 0.03 -0.71 0.04 0.00 -0.44 0.00 0.00 34.13 33.04 2c4b s GLU 73 CO 0.09 0.10 0.40 0.00 0.95 0.00 0.00 175.26 176.80 2c4b s ALA 74 N -3.18 -1.01 0.21 -0.84 0.00 -0.27 -0.19 121.76 116.48 2c4b s ALA 74 Ca 0.17 0.81 -0.30 0.00 0.00 0.00 0.00 51.96 52.64 2c4b s ALA 74 Cb 0.01 -0.25 -0.08 0.00 0.00 0.00 0.00 23.12 22.80 2c4b s ALA 74 CO 0.02 -0.25 1.16 -0.51 0.00 0.00 0.00 175.76 176.18 2c4b s ASP 75 N -0.67 7.15 0.11 0.00 1.11 0.21 -0.74 116.67 123.84 2c4b s ASP 75 Ca -0.08 2.23 0.10 0.00 0.18 0.00 0.00 52.55 54.98 2c4b s ASP 75 Cb -0.04 -2.61 -0.04 0.00 1.07 0.00 0.00 42.92 41.30 2c4b s ASP 75 CO 0.03 -0.30 -0.22 -0.63 1.18 0.00 0.00 175.17 175.24 2c4b s ILE 76 N -0.39 2.55 -1.44 0.77 -1.09 -0.64 -4.69 121.20 116.27 2c4b s ILE 76 Ca 0.50 -1.55 0.00 0.00 -2.23 0.00 0.00 60.65 57.37 2c4b s ILE 76 Cb -0.32 -2.13 0.00 0.00 -1.58 0.00 0.00 42.46 38.43 2c4b s ILE 76 CO 0.38 0.15 0.00 0.59 -1.23 0.00 0.00 174.94 174.83 2c4b n ASN 77 N 1.02 -5.06 -4.72 3.58 3.02 -0.03 -4.50 115.26 108.57 2c4b n ASN 77 Ca -0.17 0.34 -0.41 0.00 -0.03 0.00 0.00 54.58 54.31 2c4b n ASN 77 Cb 0.53 -3.75 -0.04 0.00 -0.61 0.00 0.00 39.78 35.91 2c4b n ASN 77 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 2c4b s TYR 78 N -2.36 3.76 0.02 3.10 5.04 -1.26 -4.94 117.35 120.71 2c4b s TYR 78 Ca 0.00 1.76 0.00 0.00 -2.44 0.00 0.00 57.07 56.39 2c4b s TYR 78 Cb 0.00 -3.08 0.00 0.00 0.35 0.00 0.00 41.96 39.23 2c4b s TYR 78 CO 0.00 0.10 0.00 0.25 -1.34 0.00 0.00 175.55 174.56 2c4b n THR 79 N 3.04 0.16 -3.72 4.34 -2.24 -1.26 -4.92 114.28 109.68 2c4b n THR 79 Ca 0.03 0.05 -0.07 0.00 -2.27 0.00 0.00 64.05 61.79 2c4b n THR 79 Cb 0.49 -1.36 -0.02 0.00 -2.10 0.00 0.00 70.33 67.35 2c4b n THR 79 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 2c4b s SER 80 N -5.13 -0.32 0.00 3.42 1.04 -1.26 -4.74 113.70 106.71 2c4b s SER 80 Ca 0.00 -0.40 0.00 0.00 0.48 0.00 0.00 55.95 56.03 2c4b s SER 80 Cb 0.00 0.63 0.00 0.00 0.10 0.00 0.00 66.02 66.75 2c4b s SER 80 CO 0.00 -1.13 0.00 0.61 0.98 0.00 0.00 173.24 173.70 2c4b n GLY 81 N -0.43 -1.00 3.73 7.32 0.00 -1.26 -4.89 105.19 108.67 2c4b n GLY 81 Ca -0.08 -1.34 -0.32 0.00 0.00 0.00 0.00 46.02 44.28 2c4b n GLY 81 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2c4b s PHE 82 N 0.00 2.18 0.58 1.61 0.08 -1.26 -4.50 117.98 116.67 2c4b s PHE 82 Ca 0.00 1.64 -0.18 0.00 0.12 0.00 0.00 56.93 58.50 2c4b s PHE 82 Cb 0.00 -3.25 -0.04 0.00 -0.57 0.00 0.00 43.02 39.16 2c4b s PHE 82 CO 0.00 -2.27 1.16 1.03 -0.10 0.00 0.00 175.22 175.04 2c4b s ARG 83 N -4.47 3.10 0.00 0.44 0.52 -1.26 -5.00 118.95 112.29 2c4b s ARG 83 Ca 0.67 1.66 0.00 0.00 -0.52 0.00 0.00 55.73 57.53 2c4b s ARG 83 Cb -0.22 -1.97 0.00 0.00 0.52 0.00 0.00 34.95 33.28 2c4b s ARG 83 CO 0.52 -1.06 0.00 0.27 0.02 0.00 0.00 175.30 175.04 2c4b n ASN 84 N -1.61 0.00 -1.01 0.23 0.23 -1.26 -5.04 115.26 106.80 2c4b n ASN 84 Ca 0.12 -0.48 0.09 0.00 -0.53 0.00 0.00 54.58 53.78 2c4b n ASN 84 Cb 0.51 0.00 0.23 0.00 -2.08 0.00 0.00 39.78 38.44 2c4b n ASN 84 CO 0.00 0.00 0.00 -1.20 -0.93 0.00 0.00 177.26 175.13 2c4b n SER 85 N -1.45 3.41 -4.72 0.53 7.64 -1.26 -4.93 113.62 112.84 2c4b n SER 85 Ca 0.00 -1.98 -0.35 0.00 1.01 0.00 0.00 58.87 57.55 2c4b n SER 85 Cb 0.00 -0.34 -0.08 0.00 -1.01 0.00 0.00 64.21 62.78 2c4b n SER 85 CO 0.00 0.00 0.00 -1.81 -3.01 0.00 0.00 175.04 170.22 2c4b s ASP 86 N -1.04 6.18 -0.03 6.43 1.01 -1.26 -1.27 116.67 126.69 2c4b s ASP 86 Ca 0.36 0.21 -0.05 0.00 0.71 0.00 0.00 52.55 53.78 2c4b s ASP 86 Cb 0.19 -2.09 0.01 0.00 1.01 0.00 0.00 42.92 42.04 2c4b s ASP 86 CO 0.25 0.16 0.12 -0.13 0.21 0.00 0.00 175.17 175.78 2c4b s ARG 87 N 0.48 0.23 -0.06 8.23 1.81 -0.26 -1.62 118.95 127.76 2c4b s ARG 87 Ca 0.08 0.00 -0.12 0.00 -1.72 0.00 0.00 55.73 53.97 2c4b s ARG 87 Cb -0.11 0.10 -0.05 0.00 -0.45 0.00 0.00 34.95 34.44 2c4b s ARG 87 CO -0.01 -0.04 0.31 -1.50 -0.68 0.00 0.00 175.30 173.38 2c4b s ILE 88 N -0.35 5.22 -0.09 1.52 2.07 0.08 -1.23 121.20 128.43 2c4b s ILE 88 Ca -0.04 0.60 0.04 0.00 -1.41 0.00 0.00 60.65 59.84 2c4b s ILE 88 Cb -0.03 -3.60 -0.01 0.00 0.13 0.00 0.00 42.46 38.95 2c4b s ILE 88 CO 0.00 0.57 -0.23 -0.76 -1.91 0.00 0.00 174.94 172.62 2c4b s LEU 89 N -0.90 2.16 -0.01 8.50 2.01 0.30 -1.12 118.68 129.62 2c4b s LEU 89 Ca 0.20 -0.51 0.01 0.00 0.01 0.00 0.00 54.13 53.84 2c4b s LEU 89 Cb -0.15 -1.42 0.01 0.00 0.01 0.00 0.00 46.19 44.64 2c4b s LEU 89 CO 0.09 0.20 -0.01 -0.72 1.01 0.00 0.00 176.35 176.91 2c4b s TYR 90 N 0.13 0.24 0.42 0.29 1.13 -0.04 -0.39 117.35 119.14 2c4b s TYR 90 Ca -0.12 -0.02 0.04 0.00 -1.41 0.00 0.00 57.07 55.56 2c4b s TYR 90 Cb -0.16 -0.23 0.00 0.00 -1.10 0.00 0.00 41.96 40.47 2c4b s TYR 90 CO 0.07 -0.05 0.60 -1.54 -2.51 0.00 0.00 175.55 172.12 2c4b s SER 91 N 0.34 5.74 0.52 -0.18 1.04 -0.72 -0.76 113.70 119.67 2c4b s SER 91 Ca -0.03 -0.08 0.34 0.00 0.48 0.00 0.00 55.95 56.66 2c4b s SER 91 Cb -0.06 -1.12 1.55 0.00 0.10 0.00 0.00 66.02 66.50 2c4b s SER 91 CO -0.01 -0.70 2.01 0.77 0.98 0.00 0.00 173.24 176.29 2c4b h SER 92 N 0.56 0.00 -0.63 7.02 4.64 -1.27 -0.07 113.55 123.80 2c4b h SER 92 Ca -0.44 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.88 2c4b h SER 92 Cb 1.27 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.36 2c4b h SER 92 CO 0.52 0.00 0.00 -0.90 -0.87 0.00 0.00 176.83 175.58 2c4b n ASP 93 N -2.90 4.50 -0.73 4.97 5.75 -1.26 -4.99 116.55 121.88 2c4b n ASP 93 Ca -0.00 -2.37 -0.07 0.00 -0.01 0.00 0.00 54.79 52.35 2c4b n ASP 93 Cb 0.22 -0.54 -0.00 0.00 -1.03 0.00 0.00 41.12 39.76 2c4b n ASP 93 CO 0.00 0.00 0.00 0.79 -0.11 0.00 0.00 177.20 177.88 2c4b n TRP 94 N 1.12 -0.29 -2.38 2.11 7.02 -0.04 -4.57 117.44 120.41 2c4b n TRP 94 Ca 0.25 0.00 -0.35 0.00 -1.02 0.00 0.00 57.50 56.37 2c4b n TRP 94 Cb 0.82 -1.90 -0.02 0.00 -2.42 0.00 0.00 31.31 27.79 2c4b n TRP 94 CO 0.00 0.00 0.00 -0.51 -2.02 0.00 0.00 177.69 175.16 2c4b s LEU 95 N -1.86 3.86 -0.10 -0.99 1.43 -1.26 -3.71 118.68 116.06 2c4b s LEU 95 Ca 0.00 2.10 0.01 0.00 -1.03 0.00 0.00 54.13 55.21 2c4b s LEU 95 Cb 0.00 -4.48 0.02 0.00 0.03 0.00 0.00 46.19 41.76 2c4b s LEU 95 CO 0.00 -0.95 -0.10 -0.63 0.23 0.00 0.00 176.35 174.90 2c4b s ILE 96 N -1.79 1.16 0.35 -0.59 -1.09 -1.01 -1.75 121.20 116.47 2c4b s ILE 96 Ca 0.68 -0.42 0.05 0.00 -2.23 0.00 0.00 60.65 58.73 2c4b s ILE 96 Cb -0.22 -1.11 -0.07 0.00 -1.58 0.00 0.00 42.46 39.48 2c4b s ILE 96 CO 0.26 0.38 0.03 -0.31 -1.23 0.00 0.00 174.94 174.06 2c4b s TYR 97 N 1.26 2.16 0.08 3.97 1.51 0.48 -0.69 117.35 126.12 2c4b s TYR 97 Ca -0.03 -0.82 0.02 0.00 -1.01 0.00 0.00 57.07 55.23 2c4b s TYR 97 Cb -0.14 -1.43 -0.04 0.00 -0.11 0.00 0.00 41.96 40.24 2c4b s TYR 97 CO -0.04 0.20 -0.07 -1.59 -1.11 0.00 0.00 175.55 172.95 2c4b s LYS 98 N -3.81 0.74 0.01 -0.62 -2.85 0.29 -0.54 119.74 112.96 2c4b s LYS 98 Ca 0.35 -1.18 0.03 0.00 -1.00 0.00 0.00 55.97 54.18 2c4b s LYS 98 Cb 0.08 -0.20 -0.01 0.00 -2.06 0.00 0.00 37.83 35.64 2c4b s LYS 98 CO 0.16 -0.01 -0.10 -0.08 0.10 0.00 0.00 175.35 175.42 2c4b s THR 99 N -3.06 0.76 -0.02 3.79 -1.32 -0.37 -1.05 115.64 114.38 2c4b s THR 99 Ca 0.06 -0.66 0.03 0.00 -1.21 0.00 0.00 61.69 59.91 2c4b s THR 99 Cb 0.01 -0.69 0.04 0.00 -1.51 0.00 0.00 72.50 70.36 2c4b s THR 99 CO -0.04 0.04 0.96 0.35 -2.21 0.00 0.00 174.62 173.72 2c4b n THR 100 N 2.36 0.98 -2.55 5.08 -2.24 -1.26 -1.11 114.28 115.55 2c4b n THR 100 Ca -0.16 -1.04 -0.03 0.00 -2.27 0.00 0.00 64.05 60.55 2c4b n THR 100 Cb 0.56 0.45 0.05 0.00 -2.10 0.00 0.00 70.33 69.29 2c4b n THR 100 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 2c4b n ASP 101 N -0.56 2.09 -3.34 3.42 5.68 -1.16 -4.63 116.55 118.05 2c4b n ASP 101 Ca 0.02 -2.45 -0.20 0.00 -0.50 0.00 0.00 54.79 51.67 2c4b n ASP 101 Cb 0.35 -0.42 0.08 0.00 -1.14 0.00 0.00 41.12 39.99 2c4b n ASP 101 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2c4b n ALA 102 N -0.44 -1.52 -0.94 2.12 0.00 -0.39 -2.83 120.51 116.51 2c4b n ALA 102 Ca 0.14 0.19 0.00 0.00 0.00 0.00 0.00 53.44 53.77 2c4b n ALA 102 Cb 0.89 -3.91 0.00 0.00 0.00 0.00 0.00 19.45 16.43 2c4b n ALA 102 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 2c4b n TYR 103 N -4.44 0.00 -0.03 0.00 4.01 -1.26 -4.90 117.16 110.54 2c4b n TYR 103 Ca -0.12 0.00 -0.16 0.00 -0.16 0.00 0.00 57.90 57.46 2c4b n TYR 103 Cb 0.60 0.00 -0.08 0.00 -0.31 0.00 0.00 39.34 39.55 2c4b n TYR 103 CO 0.00 0.00 0.00 1.96 -0.46 0.00 0.00 176.86 178.36 2c4b h GLN 104 N 1.44 0.60 -4.42 -0.72 4.20 -1.93 -3.47 115.11 110.81 2c4b h GLN 104 Ca 0.00 -0.48 -0.19 0.00 0.06 0.00 0.00 58.65 58.04 2c4b h GLN 104 Cb 0.00 0.10 -0.17 0.00 0.30 0.00 0.00 27.48 27.71 2c4b h GLN 104 CO 0.00 1.10 -0.70 0.95 -0.67 0.00 0.00 178.83 179.52 2c4b s THR 105 N -3.72 0.44 0.05 -0.54 -4.23 -1.26 -5.10 115.64 101.28 2c4b s THR 105 Ca -0.12 -1.65 0.02 0.00 -1.18 0.00 0.00 61.69 58.76 2c4b s THR 105 Cb 0.06 -1.30 -0.03 0.00 1.34 0.00 0.00 72.50 72.58 2c4b s THR 105 CO 0.85 -0.80 -0.07 -0.36 -0.54 0.00 0.00 174.62 173.69 2c4b s PHE 106 N -3.14 0.67 -0.07 3.99 0.08 -1.26 -4.44 117.98 113.80 2c4b s PHE 106 Ca 0.04 -0.55 0.03 0.00 0.12 0.00 0.00 56.93 56.56 2c4b s PHE 106 Cb 0.02 -0.40 0.01 0.00 -0.57 0.00 0.00 43.02 42.08 2c4b s PHE 106 CO -0.05 -0.10 -0.14 0.99 -0.10 0.00 0.00 175.22 175.81 2c4b s THR 107 N -1.65 1.31 0.05 0.64 2.01 -0.22 -4.96 115.64 112.83 2c4b s THR 107 Ca -0.08 -0.58 -0.31 0.00 0.31 0.00 0.00 61.69 61.04 2c4b s THR 107 Cb -0.08 -1.18 -0.07 0.00 0.01 0.00 0.00 72.50 71.18 2c4b s THR 107 CO -0.00 0.39 1.41 -0.75 -0.69 0.00 0.00 174.62 174.98 2c4b s LYS 108 N 0.62 4.29 -0.00 4.92 2.20 -1.26 -0.55 119.74 129.97 2c4b s LYS 108 Ca -0.15 2.03 0.01 0.00 -0.36 0.00 0.00 55.97 57.51 2c4b s LYS 108 Cb -0.16 -3.45 -0.01 0.00 -1.51 0.00 0.00 37.83 32.70 2c4b s LYS 108 CO 0.04 -0.53 0.06 0.44 -0.36 0.00 0.00 175.35 175.00 2c4b n ILE 109 N 4.38 0.00 -3.74 5.43 -5.35 0.13 -4.94 119.36 115.27 2c4b n ILE 109 Ca 0.13 -0.44 -0.12 0.00 -0.27 0.00 0.00 62.75 62.04 2c4b n ILE 109 Cb 0.43 0.97 -0.11 0.00 -1.74 0.00 0.00 39.64 39.19 2c4b n ILE 109 CO 0.00 0.00 0.00 -0.13 -1.76 0.00 0.00 176.55 174.66 2c4b s ARG 110 N -1.18 0.36 1.01 6.28 1.81 -0.67 -4.98 118.95 121.58 2c4b s ARG 110 Ca 0.00 0.53 -0.13 0.00 -1.72 0.00 0.00 55.73 54.41 2c4b s ARG 110 Cb 0.01 0.10 0.19 0.00 -0.45 0.00 0.00 34.95 34.80 2c4b s ARG 110 CO 0.05 -0.09 1.11 -1.54 -0.68 0.00 0.00 175.30 174.16 2c4b s SER 111 N 0.58 2.55 0.32 0.23 1.04 -1.26 -2.40 113.70 114.76 2c4b s SER 111 Ca -0.03 1.04 -0.29 0.00 0.48 0.00 0.00 55.95 57.14 2c4b s SER 111 Cb -0.05 -1.63 -0.12 0.00 0.10 0.00 0.00 66.02 64.33 2c4b s SER 111 CO -0.03 -3.16 1.55 -0.24 0.98 0.00 0.00 173.24 172.34 2c4b n SER 112 N -4.17 3.79 -0.78 7.02 2.88 -1.26 -4.68 113.62 116.42 2c4b n SER 112 Ca 0.06 1.17 0.12 0.00 -1.33 0.00 0.00 58.87 58.89 2c4b n SER 112 Cb 0.58 -1.60 0.31 0.00 -0.75 0.00 0.00 64.21 62.76 2c4b n SER 112 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 2c4b n SER 113 N 1.61 2.35 -4.72 -3.46 3.41 -1.24 -4.96 113.62 106.61 2c4b n SER 113 Ca 0.06 -1.80 -0.43 0.00 -0.26 0.00 0.00 58.87 56.44 2c4b n SER 113 Cb 0.37 -0.12 -0.02 0.00 -0.26 0.00 0.00 64.21 64.18 2c4b n SER 113 CO 0.00 0.00 0.00 0.23 -0.16 0.00 0.00 175.04 175.11 2c4b n MET 114 N 0.79 2.54 0.00 4.33 2.81 -1.26 -1.56 117.12 124.76 2c4b n MET 114 Ca 0.17 0.91 0.00 0.00 -1.81 0.00 0.00 57.70 56.97 2c4b n MET 114 Cb 0.45 -2.68 0.00 0.00 -0.71 0.00 0.00 33.22 30.29 2c4b n MET 114 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2c4b n GLY 115 N 2.62 1.96 3.69 3.03 0.00 -1.26 -5.02 105.19 110.21 2c4b n GLY 115 Ca 0.11 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.75 2c4b n GLY 115 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2c4b s VAL 116 N -2.33 5.18 -0.27 1.61 1.01 -0.60 -4.78 120.40 120.22 2c4b s VAL 116 Ca 0.00 0.86 -0.17 0.00 0.00 0.00 0.00 61.98 62.67 2c4b s VAL 116 Cb 0.00 -3.79 -0.03 0.00 0.00 0.00 0.00 36.38 32.57 2c4b s VAL 116 CO 0.00 0.27 0.47 0.00 0.00 0.00 0.00 175.10 175.84 2c4b s PRO 118 N 2.24 2.74 -1.30 0.00 0.02 -1.26 -4.85 135.00 132.57 2c4b s PRO 118 Ca 0.19 2.12 -0.17 0.00 0.02 0.00 0.00 61.00 63.16 2c4b s PRO 118 Cb -0.16 -1.98 0.08 0.00 0.02 0.00 0.00 34.50 32.47 2c4b s PRO 118 CO 0.10 -1.47 1.75 1.17 -0.33 0.00 0.00 177.00 178.22 2c4b n LYS 119 N -1.63 3.19 -3.85 5.54 3.00 -1.26 -4.86 118.16 118.30 2c4b n LYS 119 Ca 0.14 -3.28 -0.17 0.00 -0.00 0.00 0.00 58.31 55.00 2c4b n LYS 119 Cb 0.47 -3.43 -0.16 0.00 0.00 0.00 0.00 35.03 31.90 2c4b n LYS 119 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.40 177.82 2c4b s ILE 120 N 3.86 0.08 -0.11 3.15 1.01 -1.26 -5.13 121.20 122.81 2c4b s ILE 120 Ca 0.52 0.16 -0.30 0.00 0.00 0.00 0.00 60.65 61.04 2c4b s ILE 120 Cb 0.04 -0.21 -0.02 0.00 0.01 0.00 0.00 42.46 42.29 2c4b s ILE 120 CO 0.06 0.13 1.14 -0.76 0.00 0.00 0.00 174.94 175.51 2c4b s LEU 121 N 1.17 4.23 -0.18 2.97 1.43 -1.26 -4.89 118.68 122.15 2c4b s LEU 121 Ca -0.08 1.66 -0.11 0.00 -1.03 0.00 0.00 54.13 54.57 2c4b s LEU 121 Cb -0.13 -3.55 0.06 0.00 0.03 0.00 0.00 46.19 42.59 2c4b s LEU 121 CO -0.02 -0.59 0.45 -0.75 0.23 0.00 0.00 176.35 175.67 2c4b s LYS 122 N 2.50 0.45 0.53 1.70 2.47 -1.26 -5.06 119.74 121.07 2c4b s LYS 122 Ca 0.52 0.81 -0.16 0.00 -1.56 0.00 0.00 55.97 55.59 2c4b s LYS 122 Cb -0.21 0.05 -0.07 0.00 -1.46 0.00 0.00 37.83 36.13 2c4b s LYS 122 CO 0.18 -0.14 0.99 0.15 0.16 0.00 0.00 175.35 176.68 2c4b s LYS 123 N 1.21 3.90 0.05 4.03 1.02 -1.26 -1.15 119.74 127.54 2c4b s LYS 123 Ca -0.08 0.92 -0.26 0.00 0.02 0.00 0.00 55.97 56.57 2c4b s LYS 123 Cb -0.07 -2.13 0.07 0.00 -0.52 0.00 0.00 37.83 35.17 2c4b s LYS 123 CO -0.11 -0.31 0.62 0.00 -0.92 0.00 0.00 175.35 174.63 2c4b n ARG 125 N 0.30 0.53 -3.98 0.00 1.74 -1.26 -4.47 116.66 109.53 2c4b n ARG 125 Ca -0.18 -0.08 -0.10 0.00 -0.77 0.00 0.00 57.85 56.72 2c4b n ARG 125 Cb 0.61 -1.24 -0.06 0.00 -1.02 0.00 0.00 32.46 30.75 2c4b n ARG 125 CO 0.00 0.00 0.00 -0.98 -1.52 0.00 0.00 177.63 175.13 2c4b s ARG 126 N -2.65 1.37 0.43 5.56 1.70 -1.26 -5.02 118.95 119.08 2c4b s ARG 126 Ca -0.04 -1.22 0.10 0.00 -0.47 0.00 0.00 55.73 54.10 2c4b s ARG 126 Cb 0.06 0.43 0.94 0.00 -0.57 0.00 0.00 34.95 35.80 2c4b s ARG 126 CO 0.41 -0.54 2.04 -0.44 -1.08 0.00 0.00 175.30 175.69 2c4b h ASP 127 N 2.38 0.28 0.47 -2.89 3.32 -1.91 -1.78 116.42 116.30 2c4b h ASP 127 Ca -0.29 -0.02 0.00 0.00 0.02 0.00 0.00 57.03 56.74 2c4b h ASP 127 Cb 1.24 -0.07 0.00 0.00 0.22 0.00 0.00 39.33 40.72 2c4b h ASP 127 CO 0.41 0.27 0.00 -1.54 -1.72 0.00 0.00 179.24 176.67 2c4b n SER 128 N -4.43 0.00 0.04 6.45 3.41 -1.26 -1.16 113.62 116.67 2c4b n SER 128 Ca 0.00 0.27 0.12 0.00 -0.26 0.00 0.00 58.87 59.01 2c4b n SER 128 Cb 0.13 -0.40 0.50 0.00 -0.26 0.00 0.00 64.21 64.18 2c4b n SER 128 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 2c4b n ASP 129 N -1.40 0.30 -4.84 4.04 8.00 -0.67 -4.89 116.55 117.09 2c4b n ASP 129 Ca 0.06 0.54 -0.22 0.00 0.71 0.00 0.00 54.79 55.88 2c4b n ASP 129 Cb 0.17 -0.61 -0.04 0.00 -0.02 0.00 0.00 41.12 40.62 2c4b n ASP 129 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2c4b s LEU 131 N -3.83 2.49 0.26 0.00 1.43 -1.26 -4.87 118.68 112.89 2c4b s LEU 131 Ca 0.33 1.98 -0.31 0.00 -1.03 0.00 0.00 54.13 55.10 2c4b s LEU 131 Cb -0.08 -4.32 -0.13 0.00 0.03 0.00 0.00 46.19 41.69 2c4b s LEU 131 CO 0.25 -3.12 1.44 0.00 0.23 0.00 0.00 176.35 175.16 2c4b n ALA 132 N -4.23 1.48 0.00 4.21 0.00 -1.26 -1.79 120.51 118.92 2c4b n ALA 132 Ca 0.10 0.40 0.00 0.00 0.00 0.00 0.00 53.44 53.93 2c4b n ALA 132 Cb 0.53 -2.32 0.00 0.00 0.00 0.00 0.00 19.45 17.66 2c4b n ALA 132 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2c4b n GLY 133 N 2.03 1.44 3.68 0.00 0.00 -1.26 -4.45 105.19 106.63 2c4b n GLY 133 Ca 0.10 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.83 2c4b n GLY 133 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2c4b s VAL 135 N -1.41 1.80 -0.07 0.00 -7.23 0.51 -4.77 120.40 109.23 2c4b s VAL 135 Ca 0.26 -2.21 -0.24 0.00 -1.81 0.00 0.00 61.98 57.98 2c4b s VAL 135 Cb -0.11 -2.05 -0.03 0.00 0.56 0.00 0.00 36.38 34.74 2c4b s VAL 135 CO 0.18 -0.57 0.73 0.00 -0.31 0.00 0.00 175.10 175.14 2c4b s GLY 137 N 0.84 1.73 0.00 0.00 0.00 -0.60 -4.90 107.32 104.39 2c4b s GLY 137 Ca 0.39 -2.00 0.20 0.00 0.00 0.00 0.00 44.72 43.31 2c4b s GLY 137 CO 0.19 -1.46 1.63 -1.55 0.00 0.00 0.00 173.10 171.91 2c4b n PRO 138 N -2.56 0.20 -0.26 2.90 -0.04 -1.26 -2.02 135.00 131.95 2c4b n PRO 138 Ca 0.16 0.12 0.07 0.00 -0.04 0.00 0.00 63.50 63.81 2c4b n PRO 138 Cb 0.61 -1.50 0.21 0.00 -0.04 0.00 0.00 33.50 32.78 2c4b n PRO 138 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 2c4b n ASN 139 N -1.35 3.32 0.00 3.54 4.13 -1.26 -4.97 115.26 118.67 2c4b n ASN 139 Ca 0.08 -2.08 0.00 0.00 1.68 0.00 0.00 54.58 54.26 2c4b n ASN 139 Cb 0.18 -0.33 0.00 0.00 -1.54 0.00 0.00 39.78 38.09 2c4b n ASN 139 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2c4b n GLY 140 N 0.76 0.43 3.31 7.41 0.00 -0.86 -4.99 105.19 111.25 2c4b n GLY 140 Ca 0.16 -1.00 -0.26 0.00 0.00 0.00 0.00 46.02 44.92 2c4b n GLY 140 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2c4b s PHE 141 N -2.00 1.94 0.45 1.61 0.40 -1.26 -0.74 117.98 118.38 2c4b s PHE 141 Ca 0.00 -0.40 -0.21 0.00 -0.60 0.00 0.00 56.93 55.72 2c4b s PHE 141 Cb 0.00 -1.09 -0.09 0.00 0.51 0.00 0.00 43.02 42.35 2c4b s PHE 141 CO 0.00 0.21 1.02 0.00 0.70 0.00 0.00 175.22 177.15 2c4b n GLY 143 N -0.17 0.91 0.00 0.00 0.00 -0.24 -4.77 105.19 100.92 2c4b n GLY 143 Ca 0.08 -1.11 0.00 0.00 0.00 0.00 0.00 46.02 44.99 2c4b n GLY 143 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76