#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3h3h s ILE 4 N 0.00 2.23 0.23 4.25 -1.09 -0.30 -5.02 121.20 121.52 3h3h s ILE 4 Ca 0.00 0.21 0.06 0.00 -2.23 0.00 0.00 60.65 58.68 3h3h s ILE 4 Cb 0.00 -3.12 -0.03 0.00 -1.58 0.00 0.00 42.46 37.73 3h3h s ILE 4 CO 0.00 0.03 0.26 0.42 -1.23 0.00 0.00 174.94 174.42 3h3h s THR 5 N -1.23 4.82 0.22 2.92 -4.23 -1.26 -4.89 115.64 111.99 3h3h s THR 5 Ca 0.61 -1.17 -0.08 0.00 -1.18 0.00 0.00 61.69 59.86 3h3h s THR 5 Cb -0.42 -3.60 0.17 0.00 1.34 0.00 0.00 72.50 69.99 3h3h s THR 5 CO 0.53 -0.31 1.80 -0.61 -0.54 0.00 0.00 174.62 175.50 3h3h h GLN 6 N 1.47 1.19 -0.22 3.99 5.75 -1.97 -0.69 115.11 124.63 3h3h h GLN 6 Ca -0.50 -0.19 0.03 0.00 -0.15 0.00 0.00 58.65 57.85 3h3h h GLN 6 Cb 1.23 -0.21 -0.03 0.00 1.07 0.00 0.00 27.48 29.54 3h3h h GLN 6 CO 0.61 0.93 0.03 0.00 -2.65 0.00 0.00 178.83 177.75 3h3h h ALA 7 N 1.20 0.22 -0.15 3.38 0.00 -1.99 -0.95 119.26 120.96 3h3h h ALA 7 Ca 0.28 0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.24 3h3h h ALA 7 Cb 0.15 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 3h3h h ALA 7 CO -0.03 -0.40 0.09 0.35 0.00 0.00 0.00 179.25 179.26 3h3h h PHE 8 N 0.11 0.19 -0.53 0.00 3.57 -1.90 -2.15 116.94 116.23 3h3h h PHE 8 Ca 0.10 0.00 0.03 0.00 3.53 0.00 0.00 57.97 61.64 3h3h h PHE 8 Cb 0.11 -0.06 -0.04 0.00 2.79 0.00 0.00 35.95 38.75 3h3h h PHE 8 CO -0.16 0.13 0.30 0.00 -2.23 0.00 0.00 178.31 176.36 3h3h h ALA 9 N 1.04 0.68 -0.42 2.41 0.00 -0.82 0.57 119.26 122.72 3h3h h ALA 9 Ca 0.05 -0.00 -0.14 0.00 0.00 0.00 0.00 54.91 54.82 3h3h h ALA 9 Cb -0.00 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 3h3h h ALA 9 CO -0.01 -0.01 -0.30 1.96 0.00 0.00 0.00 179.25 180.90 3h3h h GLN 10 N 0.59 0.95 -0.28 0.00 1.08 -1.10 -0.62 115.11 115.73 3h3h h GLN 10 Ca 0.22 -0.45 -0.04 0.00 -1.45 0.00 0.00 58.65 56.93 3h3h h GLN 10 Cb 0.06 -0.01 -0.01 0.00 -0.05 0.00 0.00 27.48 27.47 3h3h h GLN 10 CO -0.12 1.12 0.03 0.37 -0.95 0.00 0.00 178.83 179.28 3h3h h GLN 11 N 0.78 0.47 -0.63 1.46 5.75 -1.15 -1.61 115.11 120.18 3h3h h GLN 11 Ca 0.08 -0.14 0.10 0.00 -0.15 0.00 0.00 58.65 58.55 3h3h h GLN 11 Cb 0.88 -0.05 -0.08 0.00 1.07 0.00 0.00 27.48 29.31 3h3h h GLN 11 CO 0.08 0.60 0.24 0.35 -2.65 0.00 0.00 178.83 177.45 3h3h h PHE 12 N 0.28 0.41 -0.50 3.99 3.57 -0.79 -1.04 116.94 122.86 3h3h h PHE 12 Ca 0.08 0.03 -0.11 0.00 3.53 0.00 0.00 57.97 61.50 3h3h h PHE 12 Cb 0.37 -0.09 -0.02 0.00 2.79 0.00 0.00 35.95 39.00 3h3h h PHE 12 CO 0.03 0.09 -0.13 0.66 -2.23 0.00 0.00 178.31 176.73 3h3h h SER 13 N 0.42 0.96 -0.69 0.41 4.64 -0.84 -0.37 113.55 118.07 3h3h h SER 13 Ca 0.32 -0.32 0.06 0.00 -0.47 0.00 0.00 61.79 61.39 3h3h h SER 13 Cb 0.41 -0.26 -0.06 0.00 -0.31 0.00 0.00 62.40 62.19 3h3h h SER 13 CO -0.32 1.08 0.38 0.03 -0.87 0.00 0.00 176.83 177.13 3h3h h ARG 14 N 0.85 0.67 -0.38 4.77 3.08 -0.90 0.08 114.38 122.54 3h3h h ARG 14 Ca 0.13 -0.04 -0.04 0.00 0.07 0.00 0.00 59.98 60.10 3h3h h ARG 14 Cb 0.67 -0.15 -0.02 0.00 0.08 0.00 0.00 29.97 30.56 3h3h h ARG 14 CO 0.05 0.44 0.08 0.93 -1.07 0.00 0.00 179.97 180.40 3h3h h GLU 15 N 0.69 0.62 -0.09 0.04 5.08 -0.73 -0.90 114.58 119.30 3h3h h GLU 15 Ca 0.31 -0.16 -0.06 0.00 -1.00 0.00 0.00 59.36 58.45 3h3h h GLU 15 Cb 0.22 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.39 3h3h h GLU 15 CO -0.20 0.67 -0.20 2.35 -1.00 0.00 0.00 179.01 180.64 3h3h h TRP 16 N 0.48 0.36 -0.37 4.33 7.01 -0.73 -0.21 115.95 126.81 3h3h h TRP 16 Ca 0.12 -0.14 -0.02 0.00 2.11 0.00 0.00 58.89 60.97 3h3h h TRP 16 Cb 0.34 -0.07 -0.02 0.00 -2.10 0.00 0.00 29.16 27.31 3h3h h TRP 16 CO 0.02 0.80 0.17 0.82 -2.79 0.00 0.00 178.44 177.46 3h3h h ILE 17 N -0.19 1.18 -0.57 2.65 1.08 -0.99 -2.38 117.51 118.28 3h3h h ILE 17 Ca -0.00 -0.52 0.02 0.00 -0.39 0.00 0.00 64.86 63.96 3h3h h ILE 17 Cb 0.79 0.83 -0.03 0.00 -3.07 0.00 0.00 36.82 35.34 3h3h h ILE 17 CO 0.04 0.19 0.36 0.44 -0.69 0.00 0.00 178.15 178.50 3h3h h ASP 18 N 0.46 0.60 -0.41 1.72 3.32 -1.07 -0.42 116.42 120.62 3h3h h ASP 18 Ca 0.13 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.17 3h3h h ASP 18 Cb 0.15 -0.14 -0.02 0.00 0.22 0.00 0.00 39.33 39.54 3h3h h ASP 18 CO -0.01 0.43 0.27 0.00 -1.72 0.00 0.00 179.24 178.20 3h3h h ALA 19 N 1.23 0.52 -0.60 3.45 0.00 -0.79 -0.41 119.26 122.67 3h3h h ALA 19 Ca 0.22 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.10 3h3h h ALA 19 Cb -0.02 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.57 3h3h h ALA 19 CO -0.08 -0.01 0.38 -1.49 0.00 0.00 0.00 179.25 178.05 3h3h h TRP 20 N 0.55 0.76 0.00 0.00 4.06 -1.21 -2.23 115.95 117.89 3h3h h TRP 20 Ca 0.15 0.01 -0.03 0.00 2.06 0.00 0.00 58.89 61.08 3h3h h TRP 20 Cb -0.05 -0.26 -0.00 0.00 -1.00 0.00 0.00 29.16 27.85 3h3h h TRP 20 CO -0.04 0.50 -0.15 -0.91 -3.56 0.00 0.00 178.44 174.27 3h3h h ASN 21 N 0.81 0.00 0.60 -3.49 2.35 -0.71 -1.24 115.58 113.90 3h3h h ASN 21 Ca 0.22 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.97 3h3h h ASN 21 Cb -0.07 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.30 3h3h h ASN 21 CO -0.04 0.15 -0.19 0.00 -1.65 0.00 0.00 177.43 175.70 3h3h n ALA 22 N -2.21 2.85 -3.56 -0.83 0.00 -0.20 -4.94 120.51 111.62 3h3h n ALA 22 Ca -0.00 -0.24 -0.22 0.00 0.00 0.00 0.00 53.44 52.98 3h3h n ALA 22 Cb 0.34 -1.31 0.08 0.00 0.00 0.00 0.00 19.45 18.56 3h3h n ALA 22 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 3h3h n HIS 23 N -1.28 -2.63 -3.72 0.00 8.25 -0.47 -4.94 115.22 110.43 3h3h n HIS 23 Ca 0.09 0.99 -0.36 0.00 -0.26 0.00 0.00 57.72 58.18 3h3h n HIS 23 Cb 0.31 -5.00 -0.10 0.00 1.12 0.00 0.00 29.99 26.33 3h3h n HIS 23 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 3h3h s ASP 24 N -3.67 5.25 0.18 0.41 -1.08 -0.89 -4.96 116.67 111.91 3h3h s ASP 24 Ca 0.40 -2.77 -0.12 0.00 -0.52 0.00 0.00 52.55 49.53 3h3h s ASP 24 Cb -0.18 -1.85 0.09 0.00 -1.46 0.00 0.00 42.92 39.52 3h3h s ASP 24 CO 0.74 -0.39 1.80 0.25 0.52 0.00 0.00 175.17 178.09 3h3h h LEU 25 N 7.14 0.76 -0.66 -1.34 5.85 -1.92 0.08 115.31 125.22 3h3h h LEU 25 Ca -0.03 -0.09 0.04 0.00 0.84 0.00 0.00 57.88 58.65 3h3h h LEU 25 Cb 0.96 -0.19 -0.05 0.00 0.37 0.00 0.00 40.66 41.75 3h3h h LEU 25 CO 0.71 0.62 0.39 0.44 -0.34 0.00 0.00 178.44 180.26 3h3h h ASP 26 N 0.83 0.61 -0.42 1.25 3.32 -1.98 0.15 116.42 120.19 3h3h h ASP 26 Ca 0.22 0.01 -0.07 0.00 0.02 0.00 0.00 57.03 57.21 3h3h h ASP 26 Cb 0.03 -0.11 -0.01 0.00 0.22 0.00 0.00 39.33 39.45 3h3h h ASP 26 CO -0.04 0.41 -0.03 0.00 -1.72 0.00 0.00 179.24 177.87 3h3h h ALA 27 N 1.31 0.57 -0.01 3.45 0.00 -1.77 -1.32 119.26 121.50 3h3h h ALA 27 Ca 0.28 -0.28 0.03 0.00 0.00 0.00 0.00 54.91 54.93 3h3h h ALA 27 Cb 0.10 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.70 3h3h h ALA 27 CO -0.14 0.38 -0.17 0.82 0.00 0.00 0.00 179.25 180.14 3h3h h ILE 28 N 0.59 0.60 0.00 0.00 2.04 -0.26 -2.73 117.51 117.75 3h3h h ILE 28 Ca 0.12 0.00 -0.03 0.00 1.00 0.00 0.00 64.86 65.94 3h3h h ILE 28 Cb 0.52 0.60 -0.00 0.00 -0.74 0.00 0.00 36.82 37.20 3h3h h ILE 28 CO 0.03 0.00 -0.16 -0.07 0.00 0.00 0.00 178.15 177.95 3h3h h LEU 29 N -0.27 0.00 -2.36 1.44 3.38 -0.89 -2.48 115.31 114.13 3h3h h LEU 29 Ca 0.06 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.02 3h3h h LEU 29 Cb 0.34 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.09 3h3h h LEU 29 CO -0.16 0.16 -0.02 0.77 0.09 0.00 0.00 178.44 179.27 3h3h h SER 30 N 0.00 0.00 0.74 -0.43 4.64 -0.91 -1.73 113.55 115.87 3h3h h SER 30 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3h3h h SER 30 Cb 0.38 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.47 3h3h h SER 30 CO 0.02 0.02 -0.03 1.41 -0.87 0.00 0.00 176.83 177.39 3h3h n HIS 31 N -3.25 0.00 -4.17 4.77 8.25 -0.94 -4.88 115.22 115.00 3h3h n HIS 31 Ca -0.02 0.00 -0.30 0.00 -0.26 0.00 0.00 57.72 57.14 3h3h n HIS 31 Cb 0.16 -0.37 -0.08 0.00 1.12 0.00 0.00 29.99 30.82 3h3h n HIS 31 CO 0.00 0.00 0.00 0.71 0.64 0.00 0.00 176.34 177.69 3h3h s TYR 32 N -2.77 2.95 0.50 4.41 1.51 -0.65 -1.32 117.35 121.98 3h3h s TYR 32 Ca 0.22 -0.04 -0.20 0.00 -1.01 0.00 0.00 57.07 56.03 3h3h s TYR 32 Cb 0.20 -1.53 -0.08 0.00 -0.11 0.00 0.00 41.96 40.44 3h3h s TYR 32 CO 0.50 0.46 1.08 0.00 -1.11 0.00 0.00 175.55 176.48 3h3h s ALA 33 N -1.26 2.83 0.42 3.71 0.00 0.45 -4.73 121.76 123.16 3h3h s ALA 33 Ca 0.24 0.70 -0.26 0.00 0.00 0.00 0.00 51.96 52.65 3h3h s ALA 33 Cb -0.12 -3.30 -0.10 0.00 0.00 0.00 0.00 23.12 19.61 3h3h s ALA 33 CO 0.16 -0.48 1.28 -0.25 0.00 0.00 0.00 175.76 176.48 3h3h n ASP 34 N -1.01 2.61 -0.14 0.00 8.00 -1.26 -2.17 116.55 122.57 3h3h n ASP 34 Ca 0.10 1.12 -0.02 0.00 0.71 0.00 0.00 54.79 56.70 3h3h n ASP 34 Cb 0.52 -1.50 -0.01 0.00 -0.02 0.00 0.00 41.12 40.10 3h3h n ASP 34 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3h3h n GLY 35 N 0.80 0.49 3.73 0.44 0.00 -1.26 -4.99 105.19 104.40 3h3h n GLY 35 Ca 0.06 -0.21 -0.36 0.00 0.00 0.00 0.00 46.02 45.51 3h3h n GLY 35 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3h3h s PHE 36 N -1.84 2.07 0.34 1.61 -0.71 -0.92 -4.36 117.98 114.16 3h3h s PHE 36 Ca 0.00 1.52 0.05 0.00 -1.04 0.00 0.00 56.93 57.46 3h3h s PHE 36 Cb 0.00 -3.63 0.05 0.00 -1.21 0.00 0.00 43.02 38.23 3h3h s PHE 36 CO 0.00 -2.82 0.41 0.39 -1.34 0.00 0.00 175.22 171.85 3h3h n GLU 37 N -2.14 0.84 -3.60 1.99 1.02 -0.24 -0.39 120.64 118.11 3h3h n GLU 37 Ca 0.15 -1.91 -0.11 0.00 -0.02 0.00 0.00 57.16 55.28 3h3h n GLU 37 Cb 0.49 -0.04 -0.06 0.00 -0.02 0.00 0.00 31.44 31.81 3h3h n GLU 37 CO 0.00 0.00 0.00 -1.54 1.18 0.00 0.00 177.13 176.77 3h3h s SER 39 N -3.07 -0.47 -0.11 1.62 1.04 -0.11 -0.70 113.70 111.91 3h3h s SER 39 Ca 0.31 0.74 -0.19 0.00 0.48 0.00 0.00 55.95 57.29 3h3h s SER 39 Cb -0.02 0.69 0.04 0.00 0.10 0.00 0.00 66.02 66.83 3h3h s SER 39 CO 0.20 -0.27 0.47 -0.55 0.98 0.00 0.00 173.24 174.07 3h3h s SER 40 N -0.37 -0.44 0.00 7.02 0.15 -0.43 -0.41 113.70 119.22 3h3h s SER 40 Ca -0.00 0.67 -0.02 0.00 0.70 0.00 0.00 55.95 57.30 3h3h s SER 40 Cb -0.03 0.71 -0.09 0.00 -1.71 0.00 0.00 66.02 64.90 3h3h s SER 40 CO -0.01 -0.33 1.55 -0.81 1.20 0.00 0.00 173.24 174.83 3h3h n PRO 41 N 2.01 0.69 0.00 5.44 -0.04 -1.26 -2.90 135.00 138.94 3h3h n PRO 41 Ca -0.17 -0.33 0.00 0.00 -0.04 0.00 0.00 63.50 62.96 3h3h n PRO 41 Cb 0.56 -1.65 0.00 0.00 -0.04 0.00 0.00 33.50 32.38 3h3h n PRO 41 CO 0.00 0.00 0.00 -0.89 -0.04 0.00 0.00 175.50 174.57 3h3h n ILE 43 N 2.72 0.00 -0.21 0.52 2.08 -1.26 -3.05 119.36 120.16 3h3h n ILE 43 Ca 0.14 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.45 3h3h n ILE 43 Cb 0.32 0.00 0.11 0.00 -0.75 0.00 0.00 39.64 39.32 3h3h n ILE 43 CO 0.00 0.00 0.00 0.58 0.56 0.00 0.00 176.55 177.69 3h3h h VAL 44 N 0.00 0.80 -0.04 1.39 2.07 -1.77 0.39 116.25 119.08 3h3h h VAL 44 Ca 0.00 -0.15 -0.01 0.00 0.82 0.00 0.00 66.70 67.36 3h3h h VAL 44 Cb 0.00 0.30 -0.00 0.00 -1.52 0.00 0.00 31.29 30.07 3h3h h VAL 44 CO 0.00 0.08 0.00 1.56 0.02 0.00 0.00 177.57 179.24 3h3h h GLN 45 N 0.45 0.06 0.06 1.57 1.08 -1.86 -1.17 115.11 115.32 3h3h h GLN 45 Ca 0.31 -0.02 -0.00 0.00 -1.45 0.00 0.00 58.65 57.49 3h3h h GLN 45 Cb 0.36 -0.01 0.00 0.00 -0.05 0.00 0.00 27.48 27.79 3h3h h GLN 45 CO -0.29 0.33 -0.03 0.82 -0.95 0.00 0.00 178.83 178.71 3h3h h ILE 46 N -0.21 0.00 0.00 2.54 2.04 -1.75 -3.34 117.51 116.79 3h3h h ILE 46 Ca 0.01 -0.88 0.00 0.00 1.00 0.00 0.00 64.86 65.00 3h3h h ILE 46 Cb 0.30 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 36.38 3h3h h ILE 46 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 178.15 178.15 3h3h h ALA 47 N -1.08 1.00 0.00 1.87 0.00 -0.42 -3.51 119.26 117.12 3h3h h ALA 47 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3h3h h ALA 47 Cb 0.07 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.86 3h3h h ALA 47 CO 0.01 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.67 3h3h n GLY 48 N 0.26 0.78 0.25 0.00 0.00 -0.44 -5.01 105.19 101.02 3h3h n GLY 48 Ca 0.02 -0.43 0.00 0.00 0.00 0.00 0.00 46.02 45.61 3h3h n GLY 48 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3h3h n PRO 50 N -2.33 0.00 0.27 1.61 -0.04 -1.26 -4.97 135.00 128.27 3h3h n PRO 50 Ca 0.00 0.00 0.14 0.00 -0.04 0.00 0.00 63.50 63.60 3h3h n PRO 50 Cb 0.01 -0.49 0.70 0.00 -0.04 0.00 0.00 33.50 33.69 3h3h n PRO 50 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 3h3h h SER 51 N 0.00 0.00 -1.68 3.54 4.64 -1.98 -3.47 113.55 114.60 3h3h h SER 51 Ca 0.00 0.00 -0.27 0.00 -0.47 0.00 0.00 61.79 61.05 3h3h h SER 51 Cb 0.10 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.16 3h3h h SER 51 CO 0.00 0.10 -0.32 0.61 -0.87 0.00 0.00 176.83 176.35 3h3h n GLY 52 N -0.33 0.09 3.57 -0.77 0.00 -1.26 -4.75 105.19 101.74 3h3h n GLY 52 Ca -0.01 -0.34 -0.33 0.00 0.00 0.00 0.00 46.02 45.34 3h3h n GLY 52 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3h3h s ARG 53 N -4.40 2.66 0.18 1.61 1.04 -1.26 -1.31 118.95 117.46 3h3h s ARG 53 Ca 0.00 -0.62 0.06 0.00 -1.04 0.00 0.00 55.73 54.13 3h3h s ARG 53 Cb 0.00 -2.54 -0.05 0.00 -2.04 0.00 0.00 34.95 30.33 3h3h s ARG 53 CO 0.00 0.64 -0.12 -0.51 -0.04 0.00 0.00 175.30 175.27 3h3h s LEU 54 N -0.99 2.54 -0.08 -1.89 1.43 -1.26 -5.02 118.68 113.42 3h3h s LEU 54 Ca 0.14 -1.02 -0.15 0.00 -1.03 0.00 0.00 54.13 52.06 3h3h s LEU 54 Cb -0.11 -0.52 0.03 0.00 0.03 0.00 0.00 46.19 45.62 3h3h s LEU 54 CO 0.03 -0.25 0.37 0.00 0.23 0.00 0.00 176.35 176.73 3h3h s ARG 55 N -3.70 0.59 0.00 1.70 1.70 -1.26 -4.50 118.95 113.49 3h3h s ARG 55 Ca 0.20 0.16 0.00 0.00 -0.47 0.00 0.00 55.73 55.63 3h3h s ARG 55 Cb 0.01 0.27 0.00 0.00 -0.57 0.00 0.00 34.95 34.66 3h3h s ARG 55 CO 0.04 -0.13 0.00 0.41 -1.08 0.00 0.00 175.30 174.54 3h3h n GLY 56 N 1.97 0.47 0.19 3.88 0.00 0.47 -4.39 105.19 107.78 3h3h n GLY 56 Ca -0.18 -1.66 0.02 0.00 0.00 0.00 0.00 46.02 44.20 3h3h n GLY 56 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3h3h h LYS 57 N 0.00 0.07 0.35 1.61 1.57 -1.88 -0.69 116.57 117.60 3h3h h LYS 57 Ca 0.00 -0.03 -0.02 0.00 -1.87 0.00 0.00 60.65 58.74 3h3h h LYS 57 Cb 0.00 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.31 3h3h h LYS 57 CO 0.00 0.41 -0.17 0.93 -0.57 0.00 0.00 179.45 180.05 3h3h h GLU 58 N 0.06 -0.46 -0.07 3.15 4.39 -1.98 -0.79 114.58 118.87 3h3h h GLU 58 Ca 0.01 0.03 -0.03 0.00 0.34 0.00 0.00 59.36 59.71 3h3h h GLU 58 Cb 0.65 0.10 -0.00 0.00 -0.10 0.00 0.00 28.75 29.40 3h3h h GLU 58 CO 0.05 -0.20 -0.08 0.37 -1.16 0.00 0.00 179.01 177.99 3h3h h GLN 59 N -0.66 0.18 -0.23 2.33 4.15 -1.73 -2.37 115.11 116.78 3h3h h GLN 59 Ca -0.05 -0.10 -0.17 0.00 0.77 0.00 0.00 58.65 59.11 3h3h h GLN 59 Cb 0.47 0.00 -0.00 0.00 0.21 0.00 0.00 27.48 28.16 3h3h h GLN 59 CO 0.08 0.62 -0.54 0.28 -1.93 0.00 0.00 178.83 177.34 3h3h h VAL 60 N -0.26 1.30 -0.55 2.39 2.07 -1.22 -2.97 116.25 117.00 3h3h h VAL 60 Ca 0.01 -1.77 -0.01 0.00 0.82 0.00 0.00 66.70 65.75 3h3h h VAL 60 Cb 0.59 1.71 -0.03 0.00 -1.52 0.00 0.00 31.29 32.05 3h3h h VAL 60 CO 0.02 0.56 0.31 1.23 0.02 0.00 0.00 177.57 179.71 3h3h h GLY 61 N 0.93 0.81 0.98 2.17 0.00 -1.14 -1.38 103.07 105.44 3h3h h GLY 61 Ca 0.01 -0.34 0.01 0.00 0.00 0.00 0.00 47.33 47.01 3h3h h GLY 61 CO 0.11 0.33 0.23 0.00 0.00 0.00 0.00 176.54 177.21 3h3h h ALA 62 N 1.58 0.45 -0.46 3.60 0.00 -1.27 0.33 119.26 123.48 3h3h h ALA 62 Ca 0.20 -0.02 -0.05 0.00 0.00 0.00 0.00 54.91 55.04 3h3h h ALA 62 Cb 0.01 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 3h3h h ALA 62 CO -0.03 -0.10 0.11 -0.92 0.00 0.00 0.00 179.25 178.31 3h3h h TYR 63 N 0.47 0.78 0.00 0.00 3.20 -1.33 -1.35 116.97 118.74 3h3h h TYR 63 Ca 0.13 -0.09 -0.13 0.00 3.14 0.00 0.00 58.73 61.78 3h3h h TYR 63 Cb -0.04 -0.22 -0.02 0.00 1.54 0.00 0.00 36.73 37.99 3h3h h TYR 63 CO -0.06 0.71 -0.61 -1.49 -1.64 0.00 0.00 178.16 175.08 3h3h h TRP 64 N 0.62 0.00 -0.49 -3.82 6.55 -0.76 -1.13 115.95 116.93 3h3h h TRP 64 Ca 0.15 0.00 -0.00 0.00 0.95 0.00 0.00 58.89 59.98 3h3h h TRP 64 Cb 0.33 0.00 -0.02 0.00 -0.86 0.00 0.00 29.16 28.60 3h3h h TRP 64 CO 0.02 0.61 0.30 -0.09 -1.05 0.00 0.00 178.44 178.23 3h3h h ARG 65 N 0.00 0.66 -0.59 0.49 2.43 -0.21 -0.33 114.38 116.83 3h3h h ARG 65 Ca -0.01 -0.06 -0.06 0.00 -0.81 0.00 0.00 59.98 59.05 3h3h h ARG 65 Cb 1.18 -0.14 -0.03 0.00 -0.42 0.00 0.00 29.97 30.57 3h3h h ARG 65 CO 0.08 0.47 0.12 0.93 -1.51 0.00 0.00 179.97 180.06 3h3h h GLU 66 N 0.65 0.92 -0.28 0.20 4.39 -0.77 -1.46 114.58 118.23 3h3h h GLU 66 Ca 0.18 -0.21 0.00 0.00 0.34 0.00 0.00 59.36 59.67 3h3h h GLU 66 Cb -0.02 -0.13 -0.01 0.00 -0.10 0.00 0.00 28.75 28.48 3h3h h GLU 66 CO -0.03 0.84 0.18 0.00 -1.16 0.00 0.00 179.01 178.83 3h3h h ALA 67 N 1.25 0.36 -0.04 3.43 0.00 -0.56 -2.73 119.26 120.97 3h3h h ALA 67 Ca 0.19 -0.04 -0.09 0.00 0.00 0.00 0.00 54.91 54.98 3h3h h ALA 67 Cb 0.34 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 3h3h h ALA 67 CO 0.00 -0.16 -0.38 -0.07 0.00 0.00 0.00 179.25 178.65 3h3h h LEU 68 N 0.36 0.08 -1.59 0.00 3.38 -0.83 -0.38 115.31 116.34 3h3h h LEU 68 Ca 0.10 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.04 3h3h h LEU 68 Cb -0.01 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 40.72 3h3h h LEU 68 CO -0.02 0.45 0.00 -1.14 0.09 0.00 0.00 178.44 177.82 3h3h n ARG 69 N -4.08 0.64 -0.29 1.13 0.63 -0.57 -2.94 116.66 111.18 3h3h n ARG 69 Ca -0.02 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.91 3h3h n ARG 69 Cb 0.42 -1.24 0.00 0.00 0.45 0.00 0.00 32.46 32.10 3h3h n ARG 69 CO 0.00 0.00 0.00 -0.89 -2.51 0.00 0.00 177.63 174.23 3h3h n ILE 71 N 0.48 0.00 0.35 5.15 5.41 -0.15 -5.02 119.36 125.57 3h3h n ILE 71 Ca 0.00 -0.15 0.13 0.00 1.00 0.00 0.00 62.75 63.73 3h3h n ILE 71 Cb 0.25 0.00 0.55 0.00 -0.71 0.00 0.00 39.64 39.73 3h3h n ILE 71 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 176.55 178.10 3h3h h PRO 72 N 2.31 0.00 -0.52 0.38 0.13 -1.80 -1.39 132.00 131.10 3h3h h PRO 72 Ca 0.00 0.00 -0.18 0.00 -0.87 0.00 0.00 66.00 64.95 3h3h h PRO 72 Cb 0.21 0.00 -0.11 0.00 0.13 0.00 0.00 31.00 31.23 3h3h h PRO 72 CO 0.21 0.00 0.14 -0.40 -0.23 0.00 0.00 178.00 177.72 3h3h n ASP 73 N -2.37 3.73 -4.60 1.44 5.75 -1.26 -5.02 116.55 114.22 3h3h n ASP 73 Ca 0.01 -3.39 -0.48 0.00 -0.01 0.00 0.00 54.79 50.92 3h3h n ASP 73 Cb 0.21 -0.67 -0.04 0.00 -1.03 0.00 0.00 41.12 39.59 3h3h n ASP 73 CO 0.00 0.00 0.00 -0.11 -0.11 0.00 0.00 177.20 176.98 3h3h n LEU 74 N -0.67 1.93 -3.79 -2.12 7.94 -0.53 -4.99 117.00 114.78 3h3h n LEU 74 Ca 0.36 1.13 -0.13 0.00 -1.11 0.00 0.00 56.01 56.26 3h3h n LEU 74 Cb 1.19 -1.26 -0.14 0.00 0.53 0.00 0.00 43.42 43.74 3h3h n LEU 74 CO 0.31 -1.04 -0.23 -2.28 -1.11 0.00 0.00 177.39 173.03 3h3h s HIS 75 N 0.03 -0.14 -0.21 1.96 5.65 -1.26 -4.76 115.29 116.56 3h3h s HIS 75 Ca 0.75 0.39 -0.06 0.00 0.25 0.00 0.00 55.06 56.39 3h3h s HIS 75 Cb -0.82 -0.03 -0.03 0.00 -1.18 0.00 0.00 32.58 30.52 3h3h s HIS 75 CO 0.50 -0.11 0.03 -0.06 -0.65 0.00 0.00 174.74 174.44 3h3h s PHE 76 N 0.65 3.08 -0.39 3.88 0.08 -1.26 -4.47 117.98 119.55 3h3h s PHE 76 Ca -0.05 -0.36 -0.16 0.00 0.12 0.00 0.00 56.93 56.48 3h3h s PHE 76 Cb -0.07 -2.13 0.01 0.00 -0.57 0.00 0.00 43.02 40.27 3h3h s PHE 76 CO -0.03 -0.21 0.38 -2.00 -0.10 0.00 0.00 175.22 173.26 3h3h s GLU 77 N 1.08 3.22 0.34 0.44 2.56 -0.11 -4.93 118.70 121.30 3h3h s GLU 77 Ca 0.03 -0.71 -0.29 0.00 0.00 0.00 0.00 54.97 54.00 3h3h s GLU 77 Cb -0.14 -3.92 -0.11 0.00 2.00 0.00 0.00 34.13 31.96 3h3h s GLU 77 CO 0.02 -0.73 1.48 -0.46 -0.56 0.00 0.00 175.26 175.01 3h3h s TRP 78 N 2.00 2.74 -0.04 5.30 -0.00 -1.26 -0.84 118.94 126.85 3h3h s TRP 78 Ca 0.10 1.11 -0.03 0.00 -0.00 0.00 0.00 56.10 57.28 3h3h s TRP 78 Cb -0.17 -3.96 -0.02 0.00 -0.00 0.00 0.00 33.47 29.32 3h3h s TRP 78 CO 0.12 -2.91 -0.08 -0.89 -0.00 0.00 0.00 176.95 173.20 3h3h n ILE 79 N 1.10 0.52 -3.52 5.86 5.41 -0.13 -4.87 119.36 123.72 3h3h n ILE 79 Ca 0.03 0.01 -0.14 0.00 1.00 0.00 0.00 62.75 63.64 3h3h n ILE 79 Cb 0.39 -1.61 -0.05 0.00 -0.71 0.00 0.00 39.64 37.66 3h3h n ILE 79 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3h3h s ALA 80 N -2.12 -1.80 -0.03 -1.39 0.00 -0.72 -5.01 121.76 110.68 3h3h s ALA 80 Ca -0.08 1.27 0.03 0.00 0.00 0.00 0.00 51.96 53.19 3h3h s ALA 80 Cb 0.03 -0.07 0.00 0.00 0.00 0.00 0.00 23.12 23.08 3h3h s ALA 80 CO 0.10 -0.43 -0.12 0.99 0.00 0.00 0.00 175.76 176.30 3h3h s THR 81 N -1.65 1.01 0.07 0.00 2.01 -1.26 -0.49 115.64 115.33 3h3h s THR 81 Ca -0.05 -0.48 0.05 0.00 0.31 0.00 0.00 61.69 61.52 3h3h s THR 81 Cb -0.00 -0.89 -0.03 0.00 0.01 0.00 0.00 72.50 71.59 3h3h s THR 81 CO 0.03 0.31 -0.14 -0.76 -0.69 0.00 0.00 174.62 173.37 3h3h s LEU 82 N 0.18 2.28 -0.12 4.42 1.02 0.23 -4.96 118.68 121.72 3h3h s LEU 82 Ca -0.04 -0.62 -0.01 0.00 0.02 0.00 0.00 54.13 53.48 3h3h s LEU 82 Cb -0.10 -0.49 -0.02 0.00 0.02 0.00 0.00 46.19 45.60 3h3h s LEU 82 CO 0.01 -0.09 -0.09 0.00 0.02 0.00 0.00 176.35 176.20 3h3h s ALA 83 N -1.33 2.81 0.00 4.21 0.00 -1.26 -0.88 121.76 125.31 3h3h s ALA 83 Ca -0.02 -0.87 0.00 0.00 0.00 0.00 0.00 51.96 51.07 3h3h s ALA 83 Cb -0.10 -1.31 0.00 0.00 0.00 0.00 0.00 23.12 21.71 3h3h s ALA 83 CO 0.02 0.32 0.00 0.41 0.00 0.00 0.00 175.76 176.51 3h3h n GLY 84 N 3.20 3.88 0.09 0.00 0.00 0.70 -5.01 105.19 108.05 3h3h n GLY 84 Ca -0.18 -2.07 -0.12 0.00 0.00 0.00 0.00 46.02 43.65 3h3h n GLY 84 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3h3h h VAL 85 N 0.10 1.25 0.00 1.61 2.07 -1.98 -3.36 116.25 115.93 3h3h h VAL 85 Ca 0.00 -1.33 0.00 0.00 0.82 0.00 0.00 66.70 66.19 3h3h h VAL 85 Cb 0.00 2.08 0.00 0.00 -1.52 0.00 0.00 31.29 31.85 3h3h h VAL 85 CO 0.00 0.32 -0.10 -0.90 0.02 0.00 0.00 177.57 176.91 3h3h n ASP 86 N -4.84 1.65 -4.11 0.57 5.75 -1.26 -1.15 116.55 113.15 3h3h n ASP 86 Ca -0.08 -2.52 -0.09 0.00 -0.01 0.00 0.00 54.79 52.09 3h3h n ASP 86 Cb 0.29 -0.27 -0.10 0.00 -1.03 0.00 0.00 41.12 40.01 3h3h n ASP 86 CO 0.00 0.00 0.00 -0.94 -0.11 0.00 0.00 177.20 176.15 3h3h s SER 87 N -1.94 0.74 0.03 -1.12 1.04 -1.26 -1.67 113.70 109.52 3h3h s SER 87 Ca 0.17 -0.96 0.07 0.00 0.48 0.00 0.00 55.95 55.72 3h3h s SER 87 Cb 0.15 0.15 -0.02 0.00 0.10 0.00 0.00 66.02 66.40 3h3h s SER 87 CO 0.02 -0.52 -0.22 -0.69 0.98 0.00 0.00 173.24 172.81 3h3h s VAL 88 N -3.58 1.74 -0.17 5.02 1.01 0.00 -0.22 120.40 124.21 3h3h s VAL 88 Ca 0.07 -1.15 0.01 0.00 0.00 0.00 0.00 61.98 60.90 3h3h s VAL 88 Cb 0.05 -1.49 0.01 0.00 0.00 0.00 0.00 36.38 34.95 3h3h s VAL 88 CO -0.07 0.30 -0.18 0.00 0.00 0.00 0.00 175.10 175.15 3h3h s ALA 89 N -0.72 2.39 -0.26 5.51 0.00 -0.06 -0.24 121.76 128.37 3h3h s ALA 89 Ca 0.08 -1.15 -0.06 0.00 0.00 0.00 0.00 51.96 50.83 3h3h s ALA 89 Cb -0.09 -1.19 -0.01 0.00 0.00 0.00 0.00 23.12 21.83 3h3h s ALA 89 CO 0.01 -0.22 0.05 0.42 0.00 0.00 0.00 175.76 176.02 3h3h s ILE 90 N 1.10 3.92 -0.17 0.00 1.01 -0.12 -0.60 121.20 126.34 3h3h s ILE 90 Ca 0.00 -0.49 -0.07 0.00 0.00 0.00 0.00 60.65 60.09 3h3h s ILE 90 Cb -0.14 -2.91 -0.04 0.00 0.01 0.00 0.00 42.46 39.38 3h3h s ILE 90 CO -0.07 0.24 0.06 -2.28 0.00 0.00 0.00 174.94 172.89 3h3h s HIS 91 N 1.53 3.27 0.17 3.97 5.65 0.36 -1.04 115.29 129.19 3h3h s HIS 91 Ca 0.04 0.11 -0.21 0.00 0.25 0.00 0.00 55.06 55.25 3h3h s HIS 91 Cb -0.16 -2.05 0.06 0.00 -1.18 0.00 0.00 32.58 29.24 3h3h s HIS 91 CO 0.01 0.21 0.57 1.52 -0.65 0.00 0.00 174.74 176.40 3h3h s TYR 92 N 0.22 -0.42 -0.26 3.88 1.13 -0.61 -0.96 117.35 120.33 3h3h s TYR 92 Ca 0.04 0.15 -0.16 0.00 -1.41 0.00 0.00 57.07 55.70 3h3h s TYR 92 Cb -0.12 0.51 -0.04 0.00 -1.10 0.00 0.00 41.96 41.21 3h3h s TYR 92 CO 0.00 -0.87 0.40 0.50 -2.51 0.00 0.00 175.55 173.08 3h3h s ARG 93 N -3.79 4.03 0.00 -3.49 3.52 -0.02 0.20 118.95 119.41 3h3h s ARG 93 Ca 0.03 0.10 0.00 0.00 -0.13 0.00 0.00 55.73 55.73 3h3h s ARG 93 Cb -0.01 -3.65 0.00 0.00 -1.56 0.00 0.00 34.95 29.73 3h3h s ARG 93 CO -0.10 -0.28 0.00 0.41 -0.81 0.00 0.00 175.30 174.52 3h3h n GLY 94 N 4.59 1.75 3.64 8.12 0.00 0.17 -0.94 105.19 122.53 3h3h n GLY 94 Ca -0.08 -1.88 -0.47 0.00 0.00 0.00 0.00 46.02 43.59 3h3h n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3h3h n ALA 95 N -3.00 0.51 -1.33 4.61 0.00 -1.26 -1.47 120.51 118.57 3h3h n ALA 95 Ca 0.00 0.46 -0.11 0.00 0.00 0.00 0.00 53.44 53.79 3h3h n ALA 95 Cb 0.00 -2.23 -0.05 0.00 0.00 0.00 0.00 19.45 17.17 3h3h n ALA 95 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 3h3h n LYS 96 N 2.70 -1.17 -0.92 0.00 -0.00 -1.26 -2.19 118.16 115.32 3h3h n LYS 96 Ca 0.16 0.86 0.00 0.00 -0.00 0.00 0.00 58.31 59.33 3h3h n LYS 96 Cb 0.27 -5.00 0.00 0.00 -0.00 0.00 0.00 35.03 30.30 3h3h n LYS 96 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 3h3h n GLY 97 N -0.82 0.52 3.73 2.58 0.00 -0.55 -5.02 105.19 105.64 3h3h n GLY 97 Ca -0.11 -0.16 -0.41 0.00 0.00 0.00 0.00 46.02 45.34 3h3h n GLY 97 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3h3h s ARG 98 N -0.37 4.61 0.39 1.61 3.52 -0.93 -4.68 118.95 123.11 3h3h s ARG 98 Ca 0.00 1.67 -0.25 0.00 -0.13 0.00 0.00 55.73 57.02 3h3h s ARG 98 Cb 0.00 -3.30 -0.09 0.00 -1.56 0.00 0.00 34.95 30.00 3h3h s ARG 98 CO 0.00 0.09 1.09 -0.51 -0.81 0.00 0.00 175.30 175.16 3h3h s LEU 99 N -0.23 4.18 0.09 -0.88 1.02 -1.26 0.45 118.68 122.05 3h3h s LEU 99 Ca 0.49 2.16 -0.07 0.00 0.02 0.00 0.00 54.13 56.73 3h3h s LEU 99 Cb -0.28 -4.10 -0.01 0.00 0.02 0.00 0.00 46.19 41.82 3h3h s LEU 99 CO 0.34 -0.54 0.15 0.00 0.02 0.00 0.00 176.35 176.31 3h3h s ALA 100 N -1.54 0.03 -0.28 4.21 0.00 0.13 -0.99 121.76 123.33 3h3h s ALA 100 Ca 0.57 -0.83 -0.01 0.00 0.00 0.00 0.00 51.96 51.69 3h3h s ALA 100 Cb -0.26 0.52 0.17 0.00 0.00 0.00 0.00 23.12 23.55 3h3h s ALA 100 CO 0.32 -0.50 0.49 -1.17 0.00 0.00 0.00 175.76 174.90 3h3h s LEU 101 N -2.90 -1.06 -0.18 0.00 0.20 0.01 -1.58 118.68 113.16 3h3h s LEU 101 Ca 0.08 0.40 -0.09 0.00 0.69 0.00 0.00 54.13 55.22 3h3h s LEU 101 Cb 0.05 1.62 -0.05 0.00 -0.43 0.00 0.00 46.19 47.39 3h3h s LEU 101 CO -0.08 -0.29 0.11 -0.70 -0.29 0.00 0.00 176.35 175.10 3h3h s GLU 102 N 2.70 4.03 -0.14 1.98 2.56 -0.20 -1.08 118.70 128.54 3h3h s GLU 102 Ca 0.15 -0.24 -0.04 0.00 0.00 0.00 0.00 54.97 54.84 3h3h s GLU 102 Cb -0.14 -3.33 -0.03 0.00 2.00 0.00 0.00 34.13 32.63 3h3h s GLU 102 CO -0.21 0.36 -0.01 0.08 -0.56 0.00 0.00 175.26 174.92 3h3h s VAL 103 N 0.18 4.15 -0.11 3.70 1.01 0.00 -0.94 120.40 128.38 3h3h s VAL 103 Ca 0.08 -0.28 0.02 0.00 0.00 0.00 0.00 61.98 61.80 3h3h s VAL 103 Cb -0.11 -2.81 0.01 0.00 0.00 0.00 0.00 36.38 33.47 3h3h s VAL 103 CO -0.01 0.51 -0.18 -0.36 0.00 0.00 0.00 175.10 175.06 3h3h s PHE 104 N 0.07 2.23 -0.14 5.22 0.40 0.67 -0.75 117.98 125.68 3h3h s PHE 104 Ca 0.01 -1.05 -0.05 0.00 -0.60 0.00 0.00 56.93 55.24 3h3h s PHE 104 Cb -0.13 -1.56 -0.04 0.00 0.51 0.00 0.00 43.02 41.80 3h3h s PHE 104 CO 0.02 -0.50 0.05 -1.01 0.70 0.00 0.00 175.22 174.48 3h3h s HIS 105 N 0.84 3.27 0.07 0.36 3.76 0.48 -0.82 115.29 123.26 3h3h s HIS 105 Ca -0.09 0.17 0.04 0.00 -0.15 0.00 0.00 55.06 55.04 3h3h s HIS 105 Cb -0.15 -1.95 -0.04 0.00 1.11 0.00 0.00 32.58 31.55 3h3h s HIS 105 CO -0.00 0.35 0.00 -0.06 -0.85 0.00 0.00 174.74 174.18 3h3h s PHE 106 N -0.30 3.01 0.05 1.40 0.40 -0.67 -0.70 117.98 121.18 3h3h s PHE 106 Ca 0.08 -0.00 0.00 0.00 -0.60 0.00 0.00 56.93 56.41 3h3h s PHE 106 Cb -0.12 -1.56 0.01 0.00 0.51 0.00 0.00 43.02 41.86 3h3h s PHE 106 CO 0.02 0.48 0.07 0.41 0.70 0.00 0.00 175.22 176.90 3h3h n GLY 107 N 0.71 1.31 0.25 4.36 0.00 -0.02 -4.80 105.19 107.00 3h3h n GLY 107 Ca -0.11 -2.04 0.13 0.00 0.00 0.00 0.00 46.02 44.00 3h3h n GLY 107 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3h3h h PRO 108 N 0.00 0.00 -0.74 1.61 0.13 -2.00 -2.66 132.00 128.34 3h3h h PRO 108 Ca -0.02 0.00 -0.11 0.00 -0.87 0.00 0.00 66.00 65.00 3h3h h PRO 108 Cb 0.10 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 31.16 3h3h h PRO 108 CO 0.03 0.13 0.14 -0.25 -0.23 0.00 0.00 178.00 177.81 3h3h n ASP 109 N -3.32 4.65 -1.84 1.44 8.00 -1.26 -4.92 116.55 119.29 3h3h n ASP 109 Ca -0.00 -2.92 -0.19 0.00 0.71 0.00 0.00 54.79 52.38 3h3h n ASP 109 Cb 0.35 -0.69 -0.05 0.00 -0.02 0.00 0.00 41.12 40.71 3h3h n ASP 109 CO 0.00 0.00 0.00 -2.11 -0.39 0.00 0.00 177.20 174.70 3h3h n ARG 110 N 0.18 -1.44 -4.22 -1.24 0.00 -1.00 -4.99 116.66 103.94 3h3h n ARG 110 Ca 0.30 1.05 -0.24 0.00 -0.00 0.00 0.00 57.85 58.97 3h3h n ARG 110 Cb 1.16 -5.50 -0.06 0.00 -0.00 0.00 0.00 32.46 28.05 3h3h n ARG 110 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.63 178.66 3h3h s ARG 111 N -4.31 2.52 -0.06 2.89 0.52 -1.26 -4.91 118.95 114.34 3h3h s ARG 111 Ca 0.00 -1.23 -0.30 0.00 -0.52 0.00 0.00 55.73 53.68 3h3h s ARG 111 Cb 0.00 -2.33 -0.04 0.00 0.52 0.00 0.00 34.95 33.10 3h3h s ARG 111 CO 0.00 0.40 1.28 0.08 0.02 0.00 0.00 175.30 177.08 3h3h s VAL 112 N -2.12 4.09 -0.06 3.52 1.01 -0.43 -0.84 120.40 125.57 3h3h s VAL 112 Ca 0.31 1.41 0.21 0.00 0.00 0.00 0.00 61.98 63.91 3h3h s VAL 112 Cb -0.08 -3.91 -0.32 0.00 0.00 0.00 0.00 36.38 32.07 3h3h s VAL 112 CO 0.21 -0.03 0.41 1.33 0.00 0.00 0.00 175.10 177.02 3h3h n VAL 113 N 4.81 0.23 -3.71 2.92 0.24 0.12 -0.41 118.33 122.53 3h3h n VAL 113 Ca 0.12 -0.56 -0.12 0.00 -2.04 0.00 0.00 64.34 61.75 3h3h n VAL 113 Cb 0.45 -0.08 -0.11 0.00 -1.47 0.00 0.00 33.84 32.64 3h3h n VAL 113 CO 0.00 0.00 0.00 -0.75 -2.14 0.00 0.00 176.83 173.94 3h3h s LYS 114 N -3.35 0.42 0.04 7.34 2.20 -1.15 -1.08 119.74 124.17 3h3h s LYS 114 Ca -0.08 0.68 0.03 0.00 -0.36 0.00 0.00 55.97 56.23 3h3h s LYS 114 Cb 0.13 0.09 -0.02 0.00 -1.51 0.00 0.00 37.83 36.51 3h3h s LYS 114 CO 0.90 -0.11 -0.09 0.00 -0.36 0.00 0.00 175.35 175.68 3h3h s ALA 115 N 0.85 0.70 -0.05 3.13 0.00 0.13 -0.38 121.76 126.13 3h3h s ALA 115 Ca -0.05 -0.78 -0.01 0.00 0.00 0.00 0.00 51.96 51.12 3h3h s ALA 115 Cb -0.06 -0.00 0.03 0.00 0.00 0.00 0.00 23.12 23.09 3h3h s ALA 115 CO -0.07 0.03 0.02 -0.51 0.00 0.00 0.00 175.76 175.23 3h3h s LEU 116 N -1.49 0.62 0.16 0.00 1.02 0.07 -0.94 118.68 118.12 3h3h s LEU 116 Ca -0.07 -0.03 -0.11 0.00 0.02 0.00 0.00 54.13 53.93 3h3h s LEU 116 Cb -0.09 -0.31 -0.07 0.00 0.02 0.00 0.00 46.19 45.74 3h3h s LEU 116 CO 0.01 -0.18 0.52 0.00 0.02 0.00 0.00 176.35 176.71 3h3h s ALA 117 N 1.78 3.61 0.01 4.21 0.00 0.45 -0.82 121.76 131.01 3h3h s ALA 117 Ca 0.01 -0.24 0.00 0.00 0.00 0.00 0.00 51.96 51.73 3h3h s ALA 117 Cb -0.13 -2.43 -0.01 0.00 0.00 0.00 0.00 23.12 20.55 3h3h s ALA 117 CO -0.04 0.50 -0.02 -1.01 0.00 0.00 0.00 175.76 175.19 3h3h s HIS 118 N -1.58 0.20 0.03 0.00 3.76 -0.24 -4.43 115.29 113.03 3h3h s HIS 118 Ca 0.40 -0.29 0.02 0.00 -0.15 0.00 0.00 55.06 55.05 3h3h s HIS 118 Cb -0.13 -0.14 -0.02 0.00 1.11 0.00 0.00 32.58 33.40 3h3h s HIS 118 CO 0.20 -0.10 -0.08 0.71 -0.85 0.00 0.00 174.74 174.62 3h3h s TYR 119 N -0.79 0.70 0.69 1.40 2.02 -1.26 -0.81 117.35 119.30 3h3h s TYR 119 Ca -0.08 -0.39 -0.11 0.00 -0.37 0.00 0.00 57.07 56.12 3h3h s TYR 119 Cb -0.06 -0.42 0.00 0.00 -0.40 0.00 0.00 41.96 41.09 3h3h s TYR 119 CO -0.00 -0.05 1.08 0.00 -1.57 0.00 0.00 175.55 175.00 3h3h s ALA 120 N -1.04 2.87 0.00 3.71 0.00 -0.16 -4.99 121.76 122.15 3h3h s ALA 120 Ca -0.06 -0.23 0.00 0.00 0.00 0.00 0.00 51.96 51.68 3h3h s ALA 120 Cb -0.08 -3.06 0.00 0.00 0.00 0.00 0.00 23.12 19.98 3h3h s ALA 120 CO 0.00 -1.08 0.14 0.41 0.00 0.00 0.00 175.76 175.24