#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3h3h s PRO 3 N 0.00 -0.26 -0.13 5.31 0.04 -1.26 -4.86 135.00 133.84 3h3h s PRO 3 Ca 0.00 0.98 -0.41 0.00 0.04 0.00 0.00 61.00 61.61 3h3h s PRO 3 Cb 0.00 -1.62 -0.19 0.00 0.04 0.00 0.00 34.50 32.73 3h3h s PRO 3 CO 0.00 -3.32 1.34 -0.89 0.04 0.00 0.00 177.00 174.17 3h3h n ILE 4 N -4.65 0.04 -2.45 0.56 2.08 -0.83 -4.91 119.36 109.21 3h3h n ILE 4 Ca 0.05 -0.01 -0.30 0.00 0.56 0.00 0.00 62.75 63.05 3h3h n ILE 4 Cb 0.54 -0.46 -0.01 0.00 -0.75 0.00 0.00 39.64 38.95 3h3h n ILE 4 CO 0.00 0.00 0.00 0.42 0.56 0.00 0.00 176.55 177.53 3h3h s THR 5 N 1.25 4.74 0.20 1.39 -4.23 -1.26 -4.83 115.64 112.89 3h3h s THR 5 Ca 0.94 0.73 -0.11 0.00 -1.18 0.00 0.00 61.69 62.06 3h3h s THR 5 Cb -1.22 -3.80 0.13 0.00 1.34 0.00 0.00 72.50 68.95 3h3h s THR 5 CO 0.61 -0.80 1.85 1.56 -0.54 0.00 0.00 174.62 177.31 3h3h h GLN 6 N 0.54 0.84 -0.26 3.99 1.08 -1.99 -0.50 115.11 118.80 3h3h h GLN 6 Ca -0.46 -0.05 0.05 0.00 -1.45 0.00 0.00 58.65 56.74 3h3h h GLN 6 Cb 1.19 -0.19 -0.08 0.00 -0.05 0.00 0.00 27.48 28.36 3h3h h GLN 6 CO 0.62 0.55 -0.45 0.00 -0.95 0.00 0.00 178.83 178.61 3h3h h ALA 7 N 1.27 -0.58 -0.44 3.87 0.00 -2.00 -1.45 119.26 119.93 3h3h h ALA 7 Ca 0.26 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.17 3h3h h ALA 7 Cb -0.04 0.88 -0.02 0.00 0.00 0.00 0.00 17.79 18.61 3h3h h ALA 7 CO -0.08 -0.93 0.22 0.35 0.00 0.00 0.00 179.25 178.81 3h3h h PHE 8 N -0.43 0.62 -0.80 0.00 3.57 -1.89 -2.12 116.94 115.88 3h3h h PHE 8 Ca 0.10 -0.03 -0.03 0.00 3.53 0.00 0.00 57.97 61.54 3h3h h PHE 8 Cb 0.62 -0.19 -0.04 0.00 2.79 0.00 0.00 35.95 39.12 3h3h h PHE 8 CO -0.57 0.49 0.39 0.00 -2.23 0.00 0.00 178.31 176.39 3h3h h ALA 9 N 1.07 1.04 -0.14 2.41 0.00 -0.32 0.65 119.26 123.97 3h3h h ALA 9 Ca 0.15 -0.16 -0.09 0.00 0.00 0.00 0.00 54.91 54.81 3h3h h ALA 9 Cb 0.10 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 17.57 3h3h h ALA 9 CO -0.02 0.60 -0.27 1.96 0.00 0.00 0.00 179.25 181.52 3h3h h GLN 10 N 1.14 0.42 0.28 0.00 1.08 -1.24 -1.14 115.11 115.65 3h3h h GLN 10 Ca 0.28 -0.27 -0.01 0.00 -1.45 0.00 0.00 58.65 57.19 3h3h h GLN 10 Cb 0.12 0.03 0.00 0.00 -0.05 0.00 0.00 27.48 27.59 3h3h h GLN 10 CO -0.03 0.88 -0.13 0.37 -0.95 0.00 0.00 178.83 178.96 3h3h h GLN 11 N 0.03 -0.36 -0.37 1.46 4.15 -1.14 -0.04 115.11 118.84 3h3h h GLN 11 Ca 0.00 0.02 0.07 0.00 0.77 0.00 0.00 58.65 59.52 3h3h h GLN 11 Cb 0.86 0.08 -0.07 0.00 0.21 0.00 0.00 27.48 28.56 3h3h h GLN 11 CO 0.06 -0.22 -0.10 0.35 -1.93 0.00 0.00 178.83 176.99 3h3h h PHE 12 N -0.40 -0.21 -0.47 3.99 3.57 -0.90 -0.11 116.94 122.42 3h3h h PHE 12 Ca -0.04 0.03 0.03 0.00 3.53 0.00 0.00 57.97 61.52 3h3h h PHE 12 Cb 0.30 0.15 -0.04 0.00 2.79 0.00 0.00 35.95 39.16 3h3h h PHE 12 CO -0.05 -0.17 0.26 0.77 -2.23 0.00 0.00 178.31 176.89 3h3h h SER 13 N -0.01 0.40 -0.10 0.41 0.02 -0.87 0.77 113.55 114.18 3h3h h SER 13 Ca 0.18 0.01 0.04 0.00 -0.84 0.00 0.00 61.79 61.19 3h3h h SER 13 Cb 0.28 -0.07 -0.06 0.00 0.14 0.00 0.00 62.40 62.69 3h3h h SER 13 CO -0.39 0.28 -0.33 0.03 -1.14 0.00 0.00 176.83 175.29 3h3h h ARG 14 N 0.52 -0.41 -0.46 3.45 2.47 -0.14 -0.47 114.38 119.34 3h3h h ARG 14 Ca 0.19 0.03 -0.11 0.00 -1.26 0.00 0.00 59.98 58.84 3h3h h ARG 14 Cb 0.06 0.09 -0.01 0.00 -1.65 0.00 0.00 29.97 28.46 3h3h h ARG 14 CO -0.11 -0.27 -0.13 0.93 0.56 0.00 0.00 179.97 180.95 3h3h h GLU 15 N -0.42 0.90 -0.19 0.04 5.08 -0.80 -0.42 114.58 118.76 3h3h h GLU 15 Ca 0.08 -0.35 -0.04 0.00 -1.00 0.00 0.00 59.36 58.06 3h3h h GLU 15 Cb 0.56 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.75 3h3h h GLU 15 CO -0.33 1.00 -0.03 2.35 -1.00 0.00 0.00 179.01 181.00 3h3h h TRP 16 N 0.73 0.39 -0.39 4.33 7.01 -0.66 0.13 115.95 127.49 3h3h h TRP 16 Ca 0.11 -0.08 0.00 0.00 2.11 0.00 0.00 58.89 61.04 3h3h h TRP 16 Cb 0.68 -0.10 -0.02 0.00 -2.10 0.00 0.00 29.16 27.62 3h3h h TRP 16 CO 0.05 0.59 0.26 0.82 -2.79 0.00 0.00 178.44 177.37 3h3h h ILE 17 N 0.08 1.11 -0.36 2.65 1.08 -1.01 -2.16 117.51 118.90 3h3h h ILE 17 Ca 0.05 -0.20 -0.06 0.00 -0.39 0.00 0.00 64.86 64.25 3h3h h ILE 17 Cb 0.46 0.53 -0.02 0.00 -3.07 0.00 0.00 36.82 34.72 3h3h h ILE 17 CO 0.02 0.10 -0.05 0.44 -0.69 0.00 0.00 178.15 177.97 3h3h h ASP 18 N 0.53 0.56 -0.26 1.72 3.32 -0.86 -0.63 116.42 120.80 3h3h h ASP 18 Ca 0.14 -0.13 -0.07 0.00 0.02 0.00 0.00 57.03 56.99 3h3h h ASP 18 Cb -0.05 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 39.34 3h3h h ASP 18 CO -0.03 0.66 -0.12 0.00 -1.72 0.00 0.00 179.24 178.03 3h3h h ALA 19 N 1.40 0.37 -0.48 3.45 0.00 -0.40 -0.24 119.26 123.36 3h3h h ALA 19 Ca 0.11 -0.31 0.02 0.00 0.00 0.00 0.00 54.91 54.73 3h3h h ALA 19 Cb 0.43 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.10 3h3h h ALA 19 CO 0.02 0.23 0.29 -1.49 0.00 0.00 0.00 179.25 178.30 3h3h h TRP 20 N 0.28 0.54 0.00 0.00 4.06 -1.21 -2.04 115.95 117.58 3h3h h TRP 20 Ca 0.06 0.02 -0.07 0.00 2.06 0.00 0.00 58.89 60.95 3h3h h TRP 20 Cb 0.63 -0.18 -0.01 0.00 -1.00 0.00 0.00 29.16 28.60 3h3h h TRP 20 CO 0.06 0.32 -0.33 -0.91 -3.56 0.00 0.00 178.44 174.02 3h3h h ASN 21 N 0.58 0.00 0.68 -3.49 2.35 -0.86 0.99 115.58 115.82 3h3h h ASN 21 Ca 0.19 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.94 3h3h h ASN 21 Cb -0.00 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.37 3h3h h ASN 21 CO -0.08 0.33 -0.02 0.00 -1.65 0.00 0.00 177.43 176.02 3h3h n ALA 22 N -2.43 2.48 -3.88 -0.83 0.00 -0.12 -4.94 120.51 110.80 3h3h n ALA 22 Ca -0.02 -0.14 -0.29 0.00 0.00 0.00 0.00 53.44 52.99 3h3h n ALA 22 Cb 0.39 -1.47 0.03 0.00 0.00 0.00 0.00 19.45 18.40 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 -1.33 -2.25 -3.73 0.00 8.25 0.34 -4.92 115.22 111.59 3h3h n HIS 23 Ca 0.12 0.90 -0.36 0.00 -0.26 0.00 0.00 57.72 58.12 3h3h n HIS 23 Cb 0.27 -4.07 -0.10 0.00 1.12 0.00 0.00 29.99 27.22 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 -3.50 5.21 0.24 0.41 -1.08 -0.94 -4.95 116.67 112.06 3h3h s ASP 24 Ca 0.55 -2.83 -0.06 0.00 -0.52 0.00 0.00 52.55 49.69 3h3h s ASP 24 Cb -0.27 -1.85 0.24 0.00 -1.46 0.00 0.00 42.92 39.58 3h3h s ASP 24 CO 0.83 -0.37 1.81 0.25 0.52 0.00 0.00 175.17 178.20 3h3h h LEU 25 N 7.05 1.03 -0.79 -1.34 5.85 -1.91 -0.64 115.31 124.55 3h3h h LEU 25 Ca -0.02 -0.15 0.06 0.00 0.84 0.00 0.00 57.88 58.60 3h3h h LEU 25 Cb 0.95 -0.27 -0.06 0.00 0.37 0.00 0.00 40.66 41.66 3h3h h LEU 25 CO 0.71 0.91 0.48 -0.78 -0.34 0.00 0.00 178.44 179.42 3h3h h ASP 26 N 1.09 0.75 -0.40 1.25 3.58 -1.97 -0.58 116.42 120.14 3h3h h ASP 26 Ca 0.25 0.02 -0.05 0.00 0.42 0.00 0.00 57.03 57.67 3h3h h ASP 26 Cb 0.20 -0.14 -0.02 0.00 1.72 0.00 0.00 39.33 41.10 3h3h h ASP 26 CO -0.02 0.49 0.05 0.00 -2.88 0.00 0.00 179.24 176.88 3h3h h ALA 27 N 1.38 0.53 -0.08 -0.78 0.00 -1.68 -1.88 119.26 116.75 3h3h h ALA 27 Ca 0.34 -0.22 0.03 0.00 0.00 0.00 0.00 54.91 55.07 3h3h h ALA 27 Cb 0.15 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 17.76 3h3h h ALA 27 CO -0.17 0.25 -0.15 0.82 0.00 0.00 0.00 179.25 180.00 3h3h h ILE 28 N 0.51 0.62 0.00 0.00 2.04 -0.84 -2.78 117.51 117.05 3h3h h ILE 28 Ca 0.12 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 65.96 3h3h h ILE 28 Cb 0.38 0.62 -0.00 0.00 -0.74 0.00 0.00 36.82 37.08 3h3h h ILE 28 CO 0.01 0.00 -0.11 -0.07 0.00 0.00 0.00 178.15 177.98 3h3h h LEU 29 N -0.21 0.00 -2.64 1.44 3.38 -0.98 -2.42 115.31 113.88 3h3h h LEU 29 Ca 0.07 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.04 3h3h h LEU 29 Cb 0.31 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.06 3h3h h LEU 29 CO -0.20 0.11 -0.01 0.77 0.09 0.00 0.00 178.44 179.20 3h3h h SER 30 N 0.00 0.00 0.53 -0.43 4.64 -1.04 -1.55 113.55 115.70 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 0.51 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.60 3h3h h SER 30 CO 0.01 0.01 -0.22 1.41 -0.87 0.00 0.00 176.83 177.17 3h3h n HIS 31 N -3.21 0.00 -4.40 4.77 8.25 -0.91 -4.88 115.22 114.84 3h3h n HIS 31 Ca -0.02 0.00 -0.32 0.00 -0.26 0.00 0.00 57.72 57.12 3h3h n HIS 31 Cb 0.12 -0.27 -0.10 0.00 1.12 0.00 0.00 29.99 30.86 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 -2.75 2.90 0.53 4.41 1.51 -0.58 -1.18 117.35 122.19 3h3h s TYR 32 Ca 0.20 -0.03 -0.18 0.00 -1.01 0.00 0.00 57.07 56.05 3h3h s TYR 32 Cb 0.19 -1.60 -0.06 0.00 -0.11 0.00 0.00 41.96 40.38 3h3h s TYR 32 CO 0.56 0.39 1.03 0.00 -1.11 0.00 0.00 175.55 176.42 3h3h s ALA 33 N -1.04 2.87 0.33 3.71 0.00 0.43 -4.74 121.76 123.32 3h3h s ALA 33 Ca 0.18 0.41 -0.28 0.00 0.00 0.00 0.00 51.96 52.27 3h3h s ALA 33 Cb -0.11 -3.21 -0.12 0.00 0.00 0.00 0.00 23.12 19.68 3h3h s ALA 33 CO 0.09 -0.48 1.34 -0.25 0.00 0.00 0.00 175.76 176.46 3h3h n ASP 34 N -1.53 2.92 -0.87 0.00 8.00 -1.26 -2.34 116.55 121.46 3h3h n ASP 34 Ca 0.08 1.20 -0.11 0.00 0.71 0.00 0.00 54.79 56.67 3h3h n ASP 34 Cb 0.53 -1.50 -0.05 0.00 -0.02 0.00 0.00 41.12 40.08 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 0.94 1.25 3.74 0.44 0.00 -1.26 -4.98 105.19 105.33 3h3h n GLY 35 Ca 0.05 -0.50 -0.38 0.00 0.00 0.00 0.00 46.02 45.19 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 -2.42 2.19 0.13 1.61 -0.71 -0.99 -4.19 117.98 113.59 3h3h s PHE 36 Ca 0.00 1.41 0.00 0.00 -1.04 0.00 0.00 56.93 57.30 3h3h s PHE 36 Cb 0.00 -3.77 0.02 0.00 -1.21 0.00 0.00 43.02 38.07 3h3h s PHE 36 CO 0.00 -2.95 0.17 -1.91 -1.34 0.00 0.00 175.22 169.20 3h3h n GLU 37 N -1.39 0.54 -3.58 1.99 2.13 -0.37 -0.21 120.64 119.75 3h3h n GLU 37 Ca 0.13 -0.49 0.02 0.00 0.66 0.00 0.00 57.16 57.47 3h3h n GLU 37 Cb 0.46 -0.11 -0.06 0.00 0.27 0.00 0.00 31.44 32.00 3h3h n GLU 37 CO 0.00 0.00 0.00 0.45 -0.41 0.00 0.00 177.13 177.17 3h3h s SER 39 N -1.72 -0.16 -0.13 4.31 0.15 -0.33 -0.99 113.70 114.82 3h3h s SER 39 Ca 0.12 0.26 -0.20 0.00 0.70 0.00 0.00 55.95 56.82 3h3h s SER 39 Cb -0.01 1.09 0.05 0.00 -1.71 0.00 0.00 66.02 65.44 3h3h s SER 39 CO 0.08 -0.04 0.51 -0.55 1.20 0.00 0.00 173.24 174.44 3h3h s SER 40 N 1.28 -0.50 0.00 5.45 0.15 -0.23 -0.80 113.70 119.06 3h3h s SER 40 Ca -0.07 0.79 0.00 0.00 0.70 0.00 0.00 55.95 57.37 3h3h s SER 40 Cb -0.02 0.81 0.00 0.00 -1.71 0.00 0.00 66.02 65.09 3h3h s SER 40 CO -0.12 -0.33 0.06 -2.65 1.20 0.00 0.00 173.24 171.41 3h3h n PRO 41 N 2.09 0.00 0.00 5.44 -0.02 -1.26 -3.00 135.00 138.24 3h3h n PRO 41 Ca -0.16 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.32 3h3h n PRO 41 Cb 0.56 -1.33 0.00 0.00 -0.02 0.00 0.00 33.50 32.72 3h3h n PRO 41 CO 0.00 0.00 0.00 -0.89 1.98 0.00 0.00 175.50 176.59 3h3h n ILE 43 N 1.96 0.00 -0.08 4.25 5.41 -1.26 -2.26 119.36 127.38 3h3h n ILE 43 Ca 0.00 0.00 -0.10 0.00 1.00 0.00 0.00 62.75 63.65 3h3h n ILE 43 Cb 0.00 0.00 -0.02 0.00 -0.71 0.00 0.00 39.64 38.91 3h3h n ILE 43 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 176.55 177.13 3h3h h VAL 44 N 0.00 1.10 -0.04 1.39 2.07 -1.62 -1.69 116.25 117.46 3h3h h VAL 44 Ca 0.00 -0.23 -0.03 0.00 0.82 0.00 0.00 66.70 67.26 3h3h h VAL 44 Cb 0.00 0.76 0.00 0.00 -1.52 0.00 0.00 31.29 30.53 3h3h h VAL 44 CO 0.00 0.10 -0.10 1.56 0.02 0.00 0.00 177.57 179.15 3h3h h GLN 45 N 0.34 0.13 0.00 1.57 1.08 -1.75 -3.09 115.11 113.39 3h3h h GLN 45 Ca 0.10 -0.09 0.00 0.00 -1.45 0.00 0.00 58.65 57.21 3h3h h GLN 45 Cb 0.01 0.01 0.00 0.00 -0.05 0.00 0.00 27.48 27.46 3h3h h GLN 45 CO -0.02 0.70 -0.27 0.82 -0.95 0.00 0.00 178.83 179.11 3h3h h ILE 46 N -0.41 0.00 0.00 2.54 2.04 -1.83 -3.37 117.51 116.48 3h3h h ILE 46 Ca -0.00 -0.78 0.00 0.00 1.00 0.00 0.00 64.86 65.07 3h3h h ILE 46 Cb 0.70 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 36.78 3h3h h ILE 46 CO 0.02 0.00 0.00 0.00 0.00 0.00 0.00 178.15 178.17 3h3h h ALA 47 N -1.22 1.00 -2.24 1.87 0.00 -1.55 -3.46 119.26 113.67 3h3h h ALA 47 Ca 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 54.91 54.68 3h3h h ALA 47 Cb 0.27 0.00 0.01 0.00 0.00 0.00 0.00 17.79 18.07 3h3h h ALA 47 CO 0.00 0.00 -0.32 0.41 0.00 0.00 0.00 179.25 179.34 3h3h n GLY 48 N -0.73 -0.05 3.34 0.00 0.00 -0.92 -5.00 105.19 101.84 3h3h n GLY 48 Ca -0.01 -0.33 -0.41 0.00 0.00 0.00 0.00 46.02 45.28 3h3h n GLY 48 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3h3h s GLU 49 N -4.91 2.76 0.54 1.61 0.41 -1.19 -4.98 118.70 112.94 3h3h s GLU 49 Ca 0.09 -1.23 0.26 0.00 -0.41 0.00 0.00 54.97 53.68 3h3h s GLU 49 Cb -0.04 -3.78 1.44 0.00 -1.78 0.00 0.00 34.13 29.97 3h3h s GLU 49 CO 0.12 -0.81 2.00 -1.35 -0.49 0.00 0.00 175.26 174.72 3h3h h PRO 50 N 8.45 0.00 0.00 0.39 0.11 -1.89 0.63 132.00 139.70 3h3h h PRO 50 Ca -0.25 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.84 3h3h h PRO 50 Cb 1.10 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.20 3h3h h PRO 50 CO 0.71 0.00 -0.11 0.66 -0.21 0.00 0.00 178.00 179.05 3h3h h SER 51 N 0.00 0.00 -0.29 -2.05 4.64 -1.96 -3.47 113.55 110.42 3h3h h SER 51 Ca 0.22 0.00 -0.12 0.00 -0.47 0.00 0.00 61.79 61.42 3h3h h SER 51 Cb 0.94 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 62.98 3h3h h SER 51 CO -0.00 0.11 -0.11 0.61 -0.87 0.00 0.00 176.83 176.57 3h3h n GLY 52 N 0.11 0.84 3.39 -0.77 0.00 0.21 -4.91 105.19 104.06 3h3h n GLY 52 Ca 0.00 -0.62 -0.31 0.00 0.00 0.00 0.00 46.02 45.09 3h3h n GLY 52 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3h3h s ARG 53 N -2.32 2.19 0.15 1.61 0.52 -1.26 -1.06 118.95 118.77 3h3h s ARG 53 Ca 0.00 -0.89 0.02 0.00 -0.52 0.00 0.00 55.73 54.35 3h3h s ARG 53 Cb 0.00 -2.16 -0.04 0.00 0.52 0.00 0.00 34.95 33.27 3h3h s ARG 53 CO 0.00 0.57 -0.04 -0.51 0.02 0.00 0.00 175.30 175.34 3h3h s LEU 54 N -0.85 2.31 -0.08 2.53 1.43 -1.26 -4.97 118.68 117.80 3h3h s LEU 54 Ca 0.11 -1.10 -0.04 0.00 -1.03 0.00 0.00 54.13 52.07 3h3h s LEU 54 Cb -0.10 -0.13 0.04 0.00 0.03 0.00 0.00 46.19 46.02 3h3h s LEU 54 CO 0.01 -0.49 0.19 -0.60 0.23 0.00 0.00 176.35 175.69 3h3h s ARG 55 N -3.86 0.16 0.00 1.70 3.52 -1.26 -4.53 118.95 114.68 3h3h s ARG 55 Ca 0.19 0.41 0.00 0.00 -0.13 0.00 0.00 55.73 56.20 3h3h s ARG 55 Cb 0.05 -0.10 0.00 0.00 -1.56 0.00 0.00 34.95 33.34 3h3h s ARG 55 CO 0.01 -0.14 0.00 0.41 -0.81 0.00 0.00 175.30 174.77 3h3h n GLY 56 N 3.98 1.02 0.21 8.12 0.00 0.70 -4.40 105.19 114.82 3h3h n GLY 56 Ca -0.23 -1.75 -0.04 0.00 0.00 0.00 0.00 46.02 44.00 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 0.35 0.11 1.61 1.57 -1.86 0.22 116.57 118.56 3h3h h LYS 57 Ca 0.00 -0.17 -0.01 0.00 -1.87 0.00 0.00 60.65 58.61 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 0.69 -0.05 1.49 -0.57 0.00 0.00 179.45 181.01 3h3h h GLU 58 N 0.29 -0.14 0.03 3.15 4.81 -1.96 0.12 114.58 120.88 3h3h h GLU 58 Ca 0.03 0.01 -0.00 0.00 -0.13 0.00 0.00 59.36 59.27 3h3h h GLU 58 Cb 0.83 0.03 0.00 0.00 0.63 0.00 0.00 28.75 30.24 3h3h h GLU 58 CO 0.07 0.20 -0.02 0.37 -0.73 0.00 0.00 179.01 178.90 3h3h h GLN 59 N -0.50 -0.04 -0.35 1.92 4.15 -1.74 -1.44 115.11 117.10 3h3h h GLN 59 Ca -0.01 0.00 -0.16 0.00 0.77 0.00 0.00 58.65 59.25 3h3h h GLN 59 Cb 0.41 0.01 -0.00 0.00 0.21 0.00 0.00 27.48 28.10 3h3h h GLN 59 CO 0.02 0.49 -0.40 0.28 -1.93 0.00 0.00 178.83 177.29 3h3h h VAL 60 N -0.61 1.28 -0.72 2.39 2.07 -1.06 -3.10 116.25 116.50 3h3h h VAL 60 Ca -0.00 -1.58 0.06 0.00 0.82 0.00 0.00 66.70 65.99 3h3h h VAL 60 Cb 0.55 1.46 -0.04 0.00 -1.52 0.00 0.00 31.29 31.74 3h3h h VAL 60 CO 0.01 0.52 0.47 1.23 0.02 0.00 0.00 177.57 179.82 3h3h h GLY 61 N 0.70 0.96 0.96 2.17 0.00 -0.77 -1.70 103.07 105.39 3h3h h GLY 61 Ca 0.05 -0.31 0.02 0.00 0.00 0.00 0.00 47.33 47.09 3h3h h GLY 61 CO 0.10 0.24 0.55 0.00 0.00 0.00 0.00 176.54 177.42 3h3h h ALA 62 N 1.60 1.08 -0.17 3.60 0.00 -1.18 0.20 119.26 124.40 3h3h h ALA 62 Ca 0.30 -0.05 -0.07 0.00 0.00 0.00 0.00 54.91 55.10 3h3h h ALA 62 Cb 0.21 -0.32 -0.00 0.00 0.00 0.00 0.00 17.79 17.68 3h3h h ALA 62 CO -0.10 0.43 -0.16 1.88 0.00 0.00 0.00 179.25 181.30 3h3h h TYR 63 N 1.10 0.48 -0.73 0.00 0.05 -1.39 -2.29 116.97 114.20 3h3h h TYR 63 Ca 0.32 -0.14 -0.04 0.00 0.05 0.00 0.00 58.73 58.91 3h3h h TYR 63 Cb -0.08 -0.10 -0.03 0.00 1.01 0.00 0.00 36.73 37.53 3h3h h TYR 63 CO -0.02 0.77 0.30 -1.49 -1.05 0.00 0.00 178.16 176.67 3h3h h TRP 64 N 0.05 1.08 -0.47 4.88 6.55 -0.99 0.15 115.95 127.20 3h3h h TRP 64 Ca 0.03 -0.07 0.05 0.00 0.95 0.00 0.00 58.89 59.84 3h3h h TRP 64 Cb 0.69 -0.33 -0.04 0.00 -0.86 0.00 0.00 29.16 28.62 3h3h h TRP 64 CO 0.08 0.82 0.22 -0.09 -1.05 0.00 0.00 178.44 178.42 3h3h h ARG 65 N 1.05 0.42 -0.17 0.49 2.43 -0.59 -0.83 114.38 117.18 3h3h h ARG 65 Ca 0.24 -0.03 -0.14 0.00 -0.81 0.00 0.00 59.98 59.25 3h3h h ARG 65 Cb 0.19 -0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 29.64 3h3h h ARG 65 CO -0.02 0.28 -0.50 1.49 -1.51 0.00 0.00 179.97 179.71 3h3h h GLU 66 N 0.44 0.46 -0.54 0.20 4.57 -0.88 -1.99 114.58 116.84 3h3h h GLU 66 Ca 0.21 -0.27 0.07 0.00 -1.18 0.00 0.00 59.36 58.19 3h3h h GLU 66 Cb 0.14 0.02 -0.06 0.00 -0.16 0.00 0.00 28.75 28.70 3h3h h GLU 66 CO -0.16 0.86 0.23 0.00 -1.18 0.00 0.00 179.01 178.76 3h3h h ALA 67 N 1.10 0.69 -0.08 2.92 0.00 -0.30 -2.20 119.26 121.39 3h3h h ALA 67 Ca 0.02 0.05 -0.10 0.00 0.00 0.00 0.00 54.91 54.88 3h3h h ALA 67 Cb 1.00 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.77 3h3h h ALA 67 CO 0.09 -0.14 -0.40 -0.07 0.00 0.00 0.00 179.25 178.72 3h3h h LEU 68 N 0.45 0.19 -0.69 0.00 3.38 -0.93 0.53 115.31 118.23 3h3h h LEU 68 Ca 0.26 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 58.15 3h3h h LEU 68 Cb 0.24 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 40.94 3h3h h LEU 68 CO -0.22 0.58 0.00 -1.14 0.09 0.00 0.00 178.44 177.74 3h3h n ARG 69 N -4.04 0.53 0.00 1.13 0.63 -0.77 -3.61 116.66 110.53 3h3h n ARG 69 Ca -0.01 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.92 3h3h n ARG 69 Cb 0.46 -1.18 0.00 0.00 0.45 0.00 0.00 32.46 32.19 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 0.01 0.00 0.32 5.15 5.41 0.18 -5.01 119.36 125.41 3h3h n ILE 71 Ca 0.00 0.00 0.16 0.00 1.00 0.00 0.00 62.75 63.91 3h3h n ILE 71 Cb 0.09 0.00 0.66 0.00 -0.71 0.00 0.00 39.64 39.68 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 0.00 0.00 -0.35 0.38 0.13 -1.82 -0.83 132.00 129.51 3h3h h PRO 72 Ca 0.00 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 65.10 3h3h h PRO 72 Cb 0.00 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.11 3h3h h PRO 72 CO 0.00 0.00 0.01 -0.40 -0.23 0.00 0.00 178.00 177.38 3h3h n ASP 73 N -2.74 4.19 -4.58 1.44 3.85 -1.26 -5.03 116.55 112.42 3h3h n ASP 73 Ca 0.01 -3.07 -0.46 0.00 -0.71 0.00 0.00 54.79 50.55 3h3h n ASP 73 Cb 0.24 -0.59 -0.03 0.00 -1.35 0.00 0.00 41.12 39.40 3h3h n ASP 73 CO 0.00 0.00 0.00 -0.11 -1.01 0.00 0.00 177.20 176.08 3h3h n LEU 74 N -0.33 1.54 -3.68 -2.12 0.00 -0.32 -4.98 117.00 107.10 3h3h n LEU 74 Ca 0.25 1.16 -0.10 0.00 0.00 0.00 0.00 56.01 57.31 3h3h n LEU 74 Cb 0.99 -1.24 -0.10 0.00 0.00 0.00 0.00 43.42 43.07 3h3h n LEU 74 CO 0.21 -1.43 0.15 -2.28 0.00 0.00 0.00 177.39 174.03 3h3h s HIS 75 N -0.68 -0.69 -0.08 1.96 2.46 -1.26 -4.71 115.29 112.29 3h3h s HIS 75 Ca 0.65 1.49 0.01 0.00 0.47 0.00 0.00 55.06 57.68 3h3h s HIS 75 Cb -0.77 0.33 -0.03 0.00 -0.13 0.00 0.00 32.58 31.98 3h3h s HIS 75 CO 0.56 -0.37 -0.10 -0.06 -2.47 0.00 0.00 174.74 172.30 3h3h s PHE 76 N 1.20 2.84 -0.26 3.88 0.08 -1.26 -3.37 117.98 121.10 3h3h s PHE 76 Ca -0.08 -0.16 -0.08 0.00 0.12 0.00 0.00 56.93 56.73 3h3h s PHE 76 Cb -0.07 -1.72 -0.04 0.00 -0.57 0.00 0.00 43.02 40.63 3h3h s PHE 76 CO -0.11 0.17 0.11 -2.00 -0.10 0.00 0.00 175.22 173.29 3h3h s GLU 77 N -0.52 3.75 -0.17 0.44 2.12 -0.14 -4.93 118.70 119.24 3h3h s GLU 77 Ca 0.07 -0.43 -0.29 0.00 0.36 0.00 0.00 54.97 54.69 3h3h s GLU 77 Cb -0.12 -3.42 -0.02 0.00 0.26 0.00 0.00 34.13 30.83 3h3h s GLU 77 CO 0.02 -0.17 1.33 -0.46 -0.54 0.00 0.00 175.26 175.43 3h3h s TRP 78 N 1.62 2.70 -0.21 5.30 -0.00 -1.26 -0.71 118.94 126.37 3h3h s TRP 78 Ca 0.06 0.88 -0.16 0.00 -0.00 0.00 0.00 56.10 56.88 3h3h s TRP 78 Cb -0.15 -3.61 -0.09 0.00 -0.00 0.00 0.00 33.47 29.61 3h3h s TRP 78 CO 0.06 -2.01 -0.28 -0.89 -0.00 0.00 0.00 176.95 173.84 3h3h n ILE 79 N 5.52 1.50 -3.56 5.86 5.41 -0.02 -4.97 119.36 129.11 3h3h n ILE 79 Ca 0.15 -0.04 -0.11 0.00 1.00 0.00 0.00 62.75 63.74 3h3h n ILE 79 Cb 0.45 -2.17 -0.04 0.00 -0.71 0.00 0.00 39.64 37.17 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 -2.70 -1.19 -0.03 -1.39 0.00 -0.82 -5.00 121.76 110.63 3h3h s ALA 80 Ca -0.30 0.22 0.04 0.00 0.00 0.00 0.00 51.96 51.92 3h3h s ALA 80 Cb 0.08 0.69 -0.01 0.00 0.00 0.00 0.00 23.12 23.88 3h3h s ALA 80 CO 0.44 -0.65 -0.15 0.99 0.00 0.00 0.00 175.76 176.39 3h3h s THR 81 N -3.54 1.21 -0.01 0.00 2.01 -1.26 -0.64 115.64 113.42 3h3h s THR 81 Ca 0.01 -0.62 0.05 0.00 0.31 0.00 0.00 61.69 61.43 3h3h s THR 81 Cb 0.01 -1.03 -0.01 0.00 0.01 0.00 0.00 72.50 71.47 3h3h s THR 81 CO -0.10 0.35 -0.15 -0.76 -0.69 0.00 0.00 174.62 173.27 3h3h s LEU 82 N -0.11 2.04 -0.10 4.42 1.02 -0.11 -4.97 118.68 120.87 3h3h s LEU 82 Ca 0.01 -0.28 -0.03 0.00 0.02 0.00 0.00 54.13 53.85 3h3h s LEU 82 Cb -0.08 -0.74 -0.03 0.00 0.02 0.00 0.00 46.19 45.36 3h3h s LEU 82 CO 0.01 0.17 0.01 0.00 0.02 0.00 0.00 176.35 176.55 3h3h s ALA 83 N -0.39 3.28 0.00 4.21 0.00 -1.26 -0.41 121.76 127.19 3h3h s ALA 83 Ca 0.05 -0.80 0.00 0.00 0.00 0.00 0.00 51.96 51.21 3h3h s ALA 83 Cb -0.06 -1.53 0.00 0.00 0.00 0.00 0.00 23.12 21.53 3h3h s ALA 83 CO -0.00 0.52 0.00 0.41 0.00 0.00 0.00 175.76 176.69 3h3h n GLY 84 N 2.39 4.09 0.10 0.00 0.00 0.10 -5.00 105.19 106.87 3h3h n GLY 84 Ca -0.18 -1.77 -0.04 0.00 0.00 0.00 0.00 46.02 44.03 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 0.00 0.18 0.00 1.61 2.07 -1.98 -3.33 116.25 114.80 3h3h h VAL 85 Ca 0.00 -1.01 0.00 0.00 0.82 0.00 0.00 66.70 66.51 3h3h h VAL 85 Cb 0.00 0.32 0.00 0.00 -1.52 0.00 0.00 31.29 30.09 3h3h h VAL 85 CO 0.00 0.06 -0.07 -0.90 0.02 0.00 0.00 177.57 176.67 3h3h n ASP 86 N -4.86 1.90 -4.15 0.57 5.75 -1.26 -1.96 116.55 112.54 3h3h n ASP 86 Ca -0.03 -2.72 -0.12 0.00 -0.01 0.00 0.00 54.79 51.92 3h3h n ASP 86 Cb 0.10 -0.32 -0.10 0.00 -1.03 0.00 0.00 41.12 39.76 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 -2.26 1.12 -0.01 -1.12 1.04 -1.26 -0.69 113.70 110.53 3h3h s SER 87 Ca 0.22 -0.88 0.07 0.00 0.48 0.00 0.00 55.95 55.84 3h3h s SER 87 Cb 0.19 0.07 -0.02 0.00 0.10 0.00 0.00 66.02 66.36 3h3h s SER 87 CO 0.02 -0.38 -0.22 -0.69 0.98 0.00 0.00 173.24 172.95 3h3h s VAL 88 N -2.97 1.72 -0.18 5.02 1.01 -0.05 0.01 120.40 124.94 3h3h s VAL 88 Ca 0.06 -0.98 -0.01 0.00 0.00 0.00 0.00 61.98 61.05 3h3h s VAL 88 Cb 0.01 -1.44 0.00 0.00 0.00 0.00 0.00 36.38 34.95 3h3h s VAL 88 CO -0.03 0.44 -0.12 0.00 0.00 0.00 0.00 175.10 175.39 3h3h s ALA 89 N -0.56 2.58 -0.23 5.51 0.00 0.45 -0.25 121.76 129.28 3h3h s ALA 89 Ca 0.08 -1.13 -0.07 0.00 0.00 0.00 0.00 51.96 50.84 3h3h s ALA 89 Cb -0.08 -1.39 -0.03 0.00 0.00 0.00 0.00 23.12 21.61 3h3h s ALA 89 CO -0.00 -0.25 0.07 0.42 0.00 0.00 0.00 175.76 176.00 3h3h s ILE 90 N 1.16 4.49 -0.20 0.00 1.01 0.21 -0.93 121.20 126.93 3h3h s ILE 90 Ca 0.01 -0.12 -0.07 0.00 0.00 0.00 0.00 60.65 60.47 3h3h s ILE 90 Cb -0.14 -3.08 -0.04 0.00 0.01 0.00 0.00 42.46 39.22 3h3h s ILE 90 CO -0.04 0.38 0.05 -2.28 0.00 0.00 0.00 174.94 173.04 3h3h s HIS 91 N 1.19 3.17 0.18 3.97 5.65 0.19 -1.15 115.29 128.49 3h3h s HIS 91 Ca 0.05 -0.12 -0.17 0.00 0.25 0.00 0.00 55.06 55.07 3h3h s HIS 91 Cb -0.14 -2.11 0.03 0.00 -1.18 0.00 0.00 32.58 29.17 3h3h s HIS 91 CO 0.03 -0.03 0.48 1.52 -0.65 0.00 0.00 174.74 176.10 3h3h s TYR 92 N 0.76 -0.10 -0.25 3.88 1.13 -0.22 -0.84 117.35 121.71 3h3h s TYR 92 Ca 0.03 -0.24 -0.13 0.00 -1.41 0.00 0.00 57.07 55.32 3h3h s TYR 92 Cb -0.14 0.34 -0.04 0.00 -1.10 0.00 0.00 41.96 41.02 3h3h s TYR 92 CO 0.02 -0.86 0.27 0.50 -2.51 0.00 0.00 175.55 172.97 3h3h s ARG 93 N -3.87 4.04 1.08 -3.49 3.52 0.11 -0.18 118.95 120.16 3h3h s ARG 93 Ca 0.09 -0.12 -0.15 0.00 -0.13 0.00 0.00 55.73 55.42 3h3h s ARG 93 Cb -0.00 -3.61 0.23 0.00 -1.56 0.00 0.00 34.95 30.01 3h3h s ARG 93 CO -0.04 -0.13 1.11 0.20 -0.81 0.00 0.00 175.30 175.63 3h3h s GLY 94 N 1.43 1.57 0.52 8.12 0.00 0.20 -0.97 107.32 118.19 3h3h s GLY 94 Ca 0.11 -0.64 0.26 0.00 0.00 0.00 0.00 44.72 44.46 3h3h s GLY 94 CO 0.09 0.09 1.95 0.00 0.00 0.00 0.00 173.10 175.22 3h3h h ALA 95 N -2.16 2.58 -0.12 3.20 0.00 -1.86 -1.85 119.26 119.05 3h3h h ALA 95 Ca -0.51 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.38 3h3h h ALA 95 Cb 1.32 0.04 -0.00 0.00 0.00 0.00 0.00 17.79 19.14 3h3h h ALA 95 CO 0.48 -0.77 -0.00 1.63 0.00 0.00 0.00 179.25 180.59 3h3h n LYS 96 N -4.36 2.03 -0.29 0.00 4.76 -1.26 -4.61 118.16 114.43 3h3h n LYS 96 Ca 0.14 -2.71 0.00 0.00 -2.87 0.00 0.00 58.31 52.86 3h3h n LYS 96 Cb 0.73 -1.66 0.00 0.00 -1.84 0.00 0.00 35.03 32.25 3h3h n LYS 96 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3h3h n GLY 97 N -1.02 0.83 3.76 0.72 0.00 -0.69 -5.03 105.19 103.75 3h3h n GLY 97 Ca 0.19 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.85 3h3h n GLY 97 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3h3h s ARG 98 N -0.60 3.09 0.13 1.61 0.52 -1.26 -4.70 118.95 117.74 3h3h s ARG 98 Ca 0.00 1.76 -0.26 0.00 -0.52 0.00 0.00 55.73 56.71 3h3h s ARG 98 Cb 0.00 -1.95 -0.07 0.00 0.52 0.00 0.00 34.95 33.45 3h3h s ARG 98 CO 0.00 -1.09 0.79 -1.17 0.02 0.00 0.00 175.30 173.85 3h3h s LEU 99 N -3.99 4.55 0.07 2.53 2.96 -0.09 0.59 118.68 125.29 3h3h s LEU 99 Ca 0.76 1.61 0.03 0.00 -0.22 0.00 0.00 54.13 56.31 3h3h s LEU 99 Cb -0.28 -3.31 -0.03 0.00 0.50 0.00 0.00 46.19 43.07 3h3h s LEU 99 CO 0.31 0.13 -0.10 0.00 -1.32 0.00 0.00 176.35 175.37 3h3h s ALA 100 N -0.75 0.92 -0.24 5.97 0.00 0.74 -1.09 121.76 127.31 3h3h s ALA 100 Ca 0.37 -1.00 -0.02 0.00 0.00 0.00 0.00 51.96 51.31 3h3h s ALA 100 Cb -0.22 0.02 0.13 0.00 0.00 0.00 0.00 23.12 23.04 3h3h s ALA 100 CO 0.26 -0.00 0.34 -1.17 0.00 0.00 0.00 175.76 175.18 3h3h s LEU 101 N -2.02 -0.49 -0.15 0.00 1.98 -0.19 -1.05 118.68 116.77 3h3h s LEU 101 Ca -0.01 -0.02 -0.01 0.00 -2.89 0.00 0.00 54.13 51.19 3h3h s LEU 101 Cb -0.06 0.89 -0.02 0.00 0.66 0.00 0.00 46.19 47.66 3h3h s LEU 101 CO 0.00 -0.32 -0.10 -0.70 -1.89 0.00 0.00 176.35 173.35 3h3h s GLU 102 N 2.48 3.46 -0.16 1.98 2.12 -0.30 -1.24 118.70 127.03 3h3h s GLU 102 Ca 0.11 -0.64 -0.05 0.00 0.36 0.00 0.00 54.97 54.75 3h3h s GLU 102 Cb -0.15 -2.75 -0.03 0.00 0.26 0.00 0.00 34.13 31.46 3h3h s GLU 102 CO -0.18 0.17 0.02 0.08 -0.54 0.00 0.00 175.26 174.81 3h3h s VAL 103 N 0.48 4.41 -0.16 3.70 1.01 -0.09 -0.62 120.40 129.12 3h3h s VAL 103 Ca -0.07 -0.18 0.01 0.00 0.00 0.00 0.00 61.98 61.74 3h3h s VAL 103 Cb -0.15 -2.95 0.02 0.00 0.00 0.00 0.00 36.38 33.29 3h3h s VAL 103 CO 0.04 0.49 -0.18 -0.36 0.00 0.00 0.00 175.10 175.08 3h3h s PHE 104 N 0.23 2.54 -0.12 5.22 0.40 0.66 -0.72 117.98 126.19 3h3h s PHE 104 Ca 0.01 -1.44 -0.10 0.00 -0.60 0.00 0.00 56.93 54.80 3h3h s PHE 104 Cb -0.13 -1.78 -0.05 0.00 0.51 0.00 0.00 43.02 41.57 3h3h s PHE 104 CO 0.01 -0.72 0.21 -1.01 0.70 0.00 0.00 175.22 174.41 3h3h s HIS 105 N 1.26 3.56 0.14 0.36 3.76 0.77 -0.87 115.29 124.26 3h3h s HIS 105 Ca 0.03 0.58 0.06 0.00 -0.15 0.00 0.00 55.06 55.57 3h3h s HIS 105 Cb -0.13 -2.12 -0.04 0.00 1.11 0.00 0.00 32.58 31.40 3h3h s HIS 105 CO -0.10 0.54 0.04 -0.06 -0.85 0.00 0.00 174.74 174.30 3h3h s PHE 106 N -0.46 2.99 0.06 1.40 0.40 0.14 -0.52 117.98 121.99 3h3h s PHE 106 Ca 0.15 -0.06 0.01 0.00 -0.60 0.00 0.00 56.93 56.44 3h3h s PHE 106 Cb -0.13 -1.48 0.01 0.00 0.51 0.00 0.00 43.02 41.93 3h3h s PHE 106 CO 0.04 0.50 0.07 0.41 0.70 0.00 0.00 175.22 176.95 3h3h n GLY 107 N 0.11 2.43 0.37 4.36 0.00 -0.01 -4.82 105.19 107.63 3h3h n GLY 107 Ca -0.10 -2.16 0.07 0.00 0.00 0.00 0.00 46.02 43.83 3h3h n GLY 107 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3h3h h PRO 108 N 0.00 0.97 -0.54 1.61 0.11 -2.00 -2.15 132.00 129.99 3h3h h PRO 108 Ca -0.03 -0.06 0.00 0.00 0.11 0.00 0.00 66.00 66.02 3h3h h PRO 108 Cb 0.14 -0.22 0.00 0.00 0.11 0.00 0.00 31.00 31.03 3h3h h PRO 108 CO 0.05 0.64 0.00 -0.25 -0.21 0.00 0.00 178.00 178.23 3h3h n ASP 109 N -4.58 1.53 -1.64 -2.05 9.92 -1.26 -4.89 116.55 113.59 3h3h n ASP 109 Ca 0.18 -2.11 -0.19 0.00 -0.53 0.00 0.00 54.79 52.14 3h3h n ASP 109 Cb 0.32 -0.33 -0.06 0.00 -0.64 0.00 0.00 41.12 40.41 3h3h n ASP 109 CO 0.00 0.00 0.00 0.54 0.13 0.00 0.00 177.20 177.87 3h3h n ARG 110 N 0.08 -1.36 -4.19 -1.24 5.12 -0.81 -5.01 116.66 109.25 3h3h n ARG 110 Ca 0.06 1.09 -0.23 0.00 -1.93 0.00 0.00 57.85 56.85 3h3h n ARG 110 Cb 0.31 -5.46 -0.06 0.00 -1.16 0.00 0.00 32.46 26.09 3h3h n ARG 110 CO 0.00 0.00 0.00 1.03 -1.93 0.00 0.00 177.63 176.73 3h3h s ARG 111 N -3.97 2.45 -0.16 5.56 0.52 -1.26 -4.88 118.95 117.20 3h3h s ARG 111 Ca 0.00 -1.39 -0.29 0.00 -0.52 0.00 0.00 55.73 53.53 3h3h s ARG 111 Cb 0.00 -2.25 -0.01 0.00 0.52 0.00 0.00 34.95 33.21 3h3h s ARG 111 CO 0.00 0.29 1.16 0.08 0.02 0.00 0.00 175.30 176.85 3h3h s VAL 112 N -2.32 4.45 -0.05 3.52 1.01 -0.32 -0.83 120.40 125.85 3h3h s VAL 112 Ca 0.34 1.75 0.22 0.00 0.00 0.00 0.00 61.98 64.28 3h3h s VAL 112 Cb -0.05 -4.13 -0.33 0.00 0.00 0.00 0.00 36.38 31.87 3h3h s VAL 112 CO 0.22 -0.12 0.43 1.33 0.00 0.00 0.00 175.10 176.96 3h3h n VAL 113 N 5.17 0.17 -3.69 2.92 0.24 0.33 -0.43 118.33 123.03 3h3h n VAL 113 Ca 0.12 -0.54 -0.11 0.00 -2.04 0.00 0.00 64.34 61.78 3h3h n VAL 113 Cb 0.46 -0.05 -0.10 0.00 -1.47 0.00 0.00 33.84 32.67 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 -3.40 0.49 0.01 7.34 2.20 -1.17 -1.24 119.74 123.98 3h3h s LYS 114 Ca -0.08 0.84 0.02 0.00 -0.36 0.00 0.00 55.97 56.39 3h3h s LYS 114 Cb 0.13 0.08 -0.01 0.00 -1.51 0.00 0.00 37.83 36.52 3h3h s LYS 114 CO 0.90 -0.13 -0.07 0.00 -0.36 0.00 0.00 175.35 175.69 3h3h s ALA 115 N 1.16 0.56 -0.06 3.13 0.00 -0.16 -0.17 121.76 126.22 3h3h s ALA 115 Ca -0.07 -0.42 0.01 0.00 0.00 0.00 0.00 51.96 51.47 3h3h s ALA 115 Cb -0.07 -0.09 0.02 0.00 0.00 0.00 0.00 23.12 22.99 3h3h s ALA 115 CO -0.11 0.09 -0.05 -0.51 0.00 0.00 0.00 175.76 175.18 3h3h s LEU 116 N -0.56 1.25 0.09 0.00 1.02 0.10 -1.19 118.68 119.39 3h3h s LEU 116 Ca -0.01 -0.17 -0.06 0.00 0.02 0.00 0.00 54.13 53.91 3h3h s LEU 116 Cb -0.05 -0.56 -0.05 0.00 0.02 0.00 0.00 46.19 45.55 3h3h s LEU 116 CO 0.00 -0.07 0.34 0.00 0.02 0.00 0.00 176.35 176.64 3h3h s ALA 117 N 1.13 3.82 -0.00 4.21 0.00 0.02 -0.92 121.76 130.01 3h3h s ALA 117 Ca -0.07 -0.56 -0.01 0.00 0.00 0.00 0.00 51.96 51.31 3h3h s ALA 117 Cb -0.14 -2.11 -0.00 0.00 0.00 0.00 0.00 23.12 20.87 3h3h s ALA 117 CO -0.01 0.66 0.02 -1.01 0.00 0.00 0.00 175.76 175.43 3h3h s HIS 118 N -1.50 0.03 0.06 0.00 3.76 -0.37 -4.45 115.29 112.82 3h3h s HIS 118 Ca 0.35 -0.06 0.00 0.00 -0.15 0.00 0.00 55.06 55.20 3h3h s HIS 118 Cb -0.13 -0.04 -0.04 0.00 1.11 0.00 0.00 32.58 33.49 3h3h s HIS 118 CO 0.22 -0.07 -0.04 0.71 -0.85 0.00 0.00 174.74 174.70 3h3h s TYR 119 N -0.39 0.64 0.15 1.40 2.02 -1.26 -1.02 117.35 118.89 3h3h s TYR 119 Ca -0.04 -0.98 -0.08 0.00 -0.37 0.00 0.00 57.07 55.59 3h3h s TYR 119 Cb -0.03 -0.42 -0.01 0.00 -0.40 0.00 0.00 41.96 41.10 3h3h s TYR 119 CO -0.00 -0.29 0.26 0.00 -1.57 0.00 0.00 175.55 173.95 3h3h s ALA 120 N -3.65 0.02 0.00 3.71 0.00 -0.25 -4.99 121.76 116.61 3h3h s ALA 120 Ca 0.07 -0.89 0.00 0.00 0.00 0.00 0.00 51.96 51.14 3h3h s ALA 120 Cb 0.06 0.82 0.00 0.00 0.00 0.00 0.00 23.12 24.00 3h3h s ALA 120 CO -0.08 -0.62 0.00 0.41 0.00 0.00 0.00 175.76 175.47