#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3e8p s ASN 13 N 0.00 1.99 0.14 4.04 2.20 -1.26 -4.68 114.94 117.36 3e8p s ASN 13 Ca 0.00 0.70 -0.22 0.00 -0.94 0.00 0.00 52.86 52.39 3e8p s ASN 13 Cb 0.00 -1.02 -0.00 0.00 -2.00 0.00 0.00 41.25 38.23 3e8p s ASN 13 CO 0.00 -3.47 1.65 -0.65 -2.94 0.00 0.00 177.10 171.69 3e8p h PRO 14 N -2.13 -0.22 -0.04 3.55 0.11 -2.03 -1.33 132.00 129.90 3e8p h PRO 14 Ca -0.47 0.01 0.04 0.00 0.11 0.00 0.00 66.00 65.69 3e8p h PRO 14 Cb 1.30 0.05 -0.06 0.00 0.11 0.00 0.00 31.00 32.40 3e8p h PRO 14 CO 0.43 -0.14 -0.36 0.82 -0.21 0.00 0.00 178.00 178.54 3e8p h ILE 15 N -0.22 0.24 -0.40 4.15 1.08 -1.96 0.85 117.51 121.24 3e8p h ILE 15 Ca 0.11 0.00 0.06 0.00 -0.39 0.00 0.00 64.86 64.63 3e8p h ILE 15 Cb 0.38 0.24 -0.05 0.00 -3.07 0.00 0.00 36.82 34.32 3e8p h ILE 15 CO -0.29 0.00 0.11 1.56 -0.69 0.00 0.00 178.15 178.84 3e8p h GLN 16 N -0.49 0.25 -0.27 2.37 4.20 -1.89 -1.17 115.11 118.11 3e8p h GLN 16 Ca 0.07 -0.01 -0.01 0.00 0.06 0.00 0.00 58.65 58.75 3e8p h GLN 16 Cb 0.59 -0.06 -0.01 0.00 0.30 0.00 0.00 27.48 28.30 3e8p h GLN 16 CO -0.31 0.16 0.14 0.00 -0.67 0.00 0.00 178.83 178.15 3e8p h ALA 17 N 1.28 0.35 -0.46 3.87 0.00 -0.85 -2.56 119.26 120.90 3e8p h ALA 17 Ca 0.19 -0.09 -0.04 0.00 0.00 0.00 0.00 54.91 54.98 3e8p h ALA 17 Cb 0.21 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 3e8p h ALA 17 CO -0.22 -0.10 0.15 1.49 0.00 0.00 0.00 179.25 180.57 3e8p h GLU 18 N 0.31 0.71 -0.26 0.00 4.57 -0.59 -1.79 114.58 117.52 3e8p h GLU 18 Ca 0.09 -0.15 0.01 0.00 -1.18 0.00 0.00 59.36 58.13 3e8p h GLU 18 Cb 0.10 -0.10 -0.02 0.00 -0.16 0.00 0.00 28.75 28.57 3e8p h GLU 18 CO -0.01 0.68 0.16 0.28 -1.18 0.00 0.00 179.01 178.93 3e8p h VAL 19 N 0.60 1.05 -0.91 0.32 2.07 -1.19 -1.43 116.25 116.76 3e8p h VAL 19 Ca 0.15 -0.11 -0.00 0.00 0.82 0.00 0.00 66.70 67.55 3e8p h VAL 19 Cb 0.26 0.68 -0.04 0.00 -1.52 0.00 0.00 31.29 30.67 3e8p h VAL 19 CO -0.01 0.06 0.55 -0.07 0.02 0.00 0.00 177.57 178.13 3e8p h LEU 20 N 0.33 1.09 -0.58 2.57 4.07 -1.33 0.40 115.31 121.86 3e8p h LEU 20 Ca 0.10 -0.06 -0.08 0.00 0.08 0.00 0.00 57.88 57.92 3e8p h LEU 20 Cb -0.02 -0.27 -0.02 0.00 1.08 0.00 0.00 40.66 41.43 3e8p h LEU 20 CO -0.04 0.83 0.04 0.50 -1.08 0.00 0.00 178.44 178.69 3e8p h LYS 21 N 1.25 1.00 0.16 1.13 3.64 -1.02 -1.28 116.57 121.45 3e8p h LYS 21 Ca 0.33 -0.30 -0.01 0.00 -1.27 0.00 0.00 60.65 59.40 3e8p h LYS 21 Cb -0.06 -0.10 0.00 0.00 -0.41 0.00 0.00 32.23 31.66 3e8p h LYS 21 CO -0.06 0.98 -0.08 -0.09 -2.27 0.00 0.00 179.45 177.93 3e8p h ARG 22 N 0.90 -0.21 -0.98 1.90 9.65 -0.80 -2.85 114.38 121.99 3e8p h ARG 22 Ca 0.17 0.01 0.07 0.00 -1.10 0.00 0.00 59.98 59.13 3e8p h ARG 22 Cb 0.50 0.05 -0.07 0.00 -1.39 0.00 0.00 29.97 29.06 3e8p h ARG 22 CO 0.02 0.10 0.63 0.28 2.80 0.00 0.00 179.97 183.80 3e8p h VAL 23 N -0.52 1.07 -0.95 0.20 2.07 -0.90 -2.14 116.25 115.08 3e8p h VAL 23 Ca -0.02 -0.39 0.02 0.00 0.82 0.00 0.00 66.70 67.13 3e8p h VAL 23 Cb 0.40 -0.17 -0.05 0.00 -1.52 0.00 0.00 31.29 29.96 3e8p h VAL 23 CO 0.04 0.21 0.62 0.00 0.02 0.00 0.00 177.57 178.46 3e8p h ALA 24 N 1.45 1.23 0.00 1.67 0.00 -1.17 -1.65 119.26 120.78 3e8p h ALA 24 Ca 0.43 -0.05 -0.07 0.00 0.00 0.00 0.00 54.91 55.22 3e8p h ALA 24 Cb 0.18 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 3e8p h ALA 24 CO -0.18 0.55 -0.31 1.05 0.00 0.00 0.00 179.25 180.36 3e8p h GLU 25 N 1.25 0.00 -0.04 0.00 4.11 -1.21 -1.73 114.58 116.95 3e8p h GLU 25 Ca 0.36 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 59.78 3e8p h GLU 25 Cb -0.08 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.17 3e8p h GLU 25 CO -0.10 0.31 -0.02 0.28 0.07 0.00 0.00 179.01 179.55 3e8p h VAL 26 N 0.00 1.34 -0.01 -1.06 2.07 -0.80 -1.22 116.25 116.57 3e8p h VAL 26 Ca -0.00 -1.05 -0.11 0.00 0.82 0.00 0.00 66.70 66.35 3e8p h VAL 26 Cb 1.17 1.97 -0.02 0.00 -1.52 0.00 0.00 31.29 32.89 3e8p h VAL 26 CO 0.04 0.28 -0.54 -0.26 0.02 0.00 0.00 177.57 177.12 3e8p h PHE 27 N -0.33 0.03 0.00 1.57 -1.00 -1.34 -0.63 116.94 115.25 3e8p h PHE 27 Ca 0.01 -0.01 0.00 0.00 2.81 0.00 0.00 57.97 60.78 3e8p h PHE 27 Cb 0.47 -0.01 0.00 0.00 3.61 0.00 0.00 35.95 40.02 3e8p h PHE 27 CO 0.07 0.55 -0.57 0.22 -1.61 0.00 0.00 178.31 176.98 3e8p h ASP 28 N 0.02 0.00 0.00 2.17 3.58 -1.30 -3.42 116.42 117.47 3e8p h ASP 28 Ca -0.00 -0.04 0.00 0.00 0.42 0.00 0.00 57.03 57.41 3e8p h ASP 28 Cb 0.95 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.00 3e8p h ASP 28 CO 0.07 0.02 -0.41 0.00 -2.88 0.00 0.00 179.24 176.04 3e8p n GLN 29 N -2.67 1.73 -1.08 0.28 1.13 -0.46 -4.86 117.38 111.43 3e8p n GLN 29 Ca 0.02 0.00 -0.14 0.00 -1.94 0.00 0.00 57.00 54.94 3e8p n GLN 29 Cb 0.52 -0.71 0.16 0.00 0.11 0.00 0.00 30.24 30.32 3e8p n GLN 29 CO 0.00 0.00 0.00 0.72 -1.44 0.00 0.00 177.06 176.34 3e8p n HIS 30 N -1.10 1.93 -4.00 1.08 8.25 -0.25 -4.87 115.22 116.26 3e8p n HIS 30 Ca 0.00 -1.89 -0.31 0.00 -0.26 0.00 0.00 57.72 55.26 3e8p n HIS 30 Cb 0.20 -0.69 -0.15 0.00 1.12 0.00 0.00 29.99 30.47 3e8p n HIS 30 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 3e8p s VAL 31 N -3.57 2.06 0.26 1.59 1.01 -1.22 -4.93 120.40 115.59 3e8p s VAL 31 Ca 0.50 -1.95 -0.10 0.00 0.00 0.00 0.00 61.98 60.43 3e8p s VAL 31 Cb 0.44 -2.39 0.38 0.00 0.00 0.00 0.00 36.38 34.80 3e8p s VAL 31 CO 0.02 -0.39 1.58 -0.65 0.00 0.00 0.00 175.10 175.67 3e8p h PRO 32 N 7.73 -0.00 -0.12 2.72 0.11 -1.95 0.11 132.00 140.60 3e8p h PRO 32 Ca -0.11 0.00 -0.07 0.00 0.11 0.00 0.00 66.00 65.93 3e8p h PRO 32 Cb 1.03 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.13 3e8p h PRO 32 CO 0.49 -0.00 -0.25 0.35 -0.21 0.00 0.00 178.00 178.37 3e8p h PHE 33 N -0.00 0.23 -0.34 0.65 3.57 -1.99 -0.20 116.94 118.86 3e8p h PHE 33 Ca 0.42 -0.04 -0.15 0.00 3.53 0.00 0.00 57.97 61.73 3e8p h PHE 33 Cb 0.64 -0.06 -0.01 0.00 2.79 0.00 0.00 35.95 39.31 3e8p h PHE 33 CO -0.69 0.45 -0.38 0.45 -2.23 0.00 0.00 178.31 175.92 3e8p h HIS 34 N 0.19 0.96 -0.37 0.41 3.86 -1.19 -2.54 115.15 116.47 3e8p h HIS 34 Ca 0.03 -0.28 -0.12 0.00 -1.16 0.00 0.00 60.37 58.84 3e8p h HIS 34 Cb 0.55 -0.21 -0.01 0.00 1.06 0.00 0.00 27.41 28.81 3e8p h HIS 34 CO 0.01 1.06 -0.25 -0.91 0.86 0.00 0.00 177.93 178.69 3e8p h ASN 35 N 0.67 0.77 -0.88 2.45 2.35 -0.69 0.22 115.58 120.47 3e8p h ASN 35 Ca 0.06 -0.29 0.02 0.00 -0.55 0.00 0.00 56.30 55.54 3e8p h ASN 35 Cb 0.94 -0.21 -0.05 0.00 0.05 0.00 0.00 38.32 39.05 3e8p h ASN 35 CO 0.09 0.99 0.58 0.25 -1.65 0.00 0.00 177.43 177.69 3e8p h LEU 36 N 0.65 0.98 0.00 1.61 5.85 -0.82 -3.08 115.31 120.51 3e8p h LEU 36 Ca 0.09 -0.02 -0.11 0.00 0.84 0.00 0.00 57.88 58.68 3e8p h LEU 36 Cb 0.77 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 41.54 3e8p h LEU 36 CO 0.06 0.69 -1.52 0.18 -0.34 0.00 0.00 178.44 177.51 3e8p n LEU 37 N -4.43 0.59 0.00 2.25 4.32 -0.98 -4.99 117.00 113.76 3e8p n LEU 37 Ca 0.11 0.25 0.00 0.00 -0.02 0.00 0.00 56.01 56.35 3e8p n LEU 37 Cb 0.07 0.06 0.00 0.00 -1.62 0.00 0.00 43.42 41.93 3e8p n LEU 37 CO 0.36 0.05 0.00 0.61 -1.22 0.00 0.00 177.39 177.19 3e8p n GLY 38 N 1.34 1.18 3.67 -0.72 0.00 0.66 -4.86 105.19 106.46 3e8p n GLY 38 Ca -0.08 -0.43 -0.43 0.00 0.00 0.00 0.00 46.02 45.08 3e8p n GLY 38 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3e8p s LEU 39 N 0.00 4.15 0.07 0.99 0.20 -0.50 -4.33 118.68 119.25 3e8p s LEU 39 Ca 0.00 1.49 0.09 0.00 0.69 0.00 0.00 54.13 56.40 3e8p s LEU 39 Cb 0.00 -3.54 -0.03 0.00 -0.43 0.00 0.00 46.19 42.18 3e8p s LEU 39 CO 0.00 -0.65 -0.23 -1.81 -0.29 0.00 0.00 176.35 173.38 3e8p s ASP 40 N 1.35 3.49 -0.60 3.68 1.01 -0.18 -4.75 116.67 120.66 3e8p s ASP 40 Ca 0.47 -0.56 -0.18 0.00 0.71 0.00 0.00 52.55 52.99 3e8p s ASP 40 Cb -0.17 -0.42 0.11 0.00 1.01 0.00 0.00 42.92 43.45 3e8p s ASP 40 CO 0.11 0.24 0.69 -0.63 0.21 0.00 0.00 175.17 175.78 3e8p s ILE 41 N -0.93 4.90 0.14 0.77 1.09 -1.26 -0.90 121.20 125.01 3e8p s ILE 41 Ca 0.14 -1.13 -0.12 0.00 -1.10 0.00 0.00 60.65 58.44 3e8p s ILE 41 Cb -0.10 -4.48 -0.02 0.00 -1.06 0.00 0.00 42.46 36.80 3e8p s ILE 41 CO 0.05 -1.10 1.51 0.50 -0.10 0.00 0.00 174.94 175.81 3e8p h LYS 42 N 9.09 0.89 -2.98 2.79 1.63 -1.25 -3.45 116.57 123.29 3e8p h LYS 42 Ca -0.27 -0.39 -0.16 0.00 -0.85 0.00 0.00 60.65 58.97 3e8p h LYS 42 Cb 1.09 -0.02 -0.27 0.00 -0.60 0.00 0.00 32.23 32.43 3e8p h LYS 42 CO 1.08 1.04 -0.40 0.50 -3.45 0.00 0.00 179.45 178.23 3e8p s ARG 43 N -4.62 0.31 -0.25 1.90 6.06 -1.04 -4.98 118.95 116.33 3e8p s ARG 43 Ca -0.12 0.49 -0.02 0.00 -2.50 0.00 0.00 55.73 53.58 3e8p s ARG 43 Cb 0.11 0.06 0.13 0.00 0.06 0.00 0.00 34.95 35.31 3e8p s ARG 43 CO 0.85 -0.09 0.34 -0.47 -2.50 0.00 0.00 175.30 173.43 3e8p s TYR 44 N 0.62 -0.69 0.22 5.12 5.04 -1.26 -0.52 117.35 125.88 3e8p s TYR 44 Ca -0.04 0.47 0.05 0.00 -2.44 0.00 0.00 57.07 55.11 3e8p s TYR 44 Cb -0.05 -0.16 -0.02 0.00 0.35 0.00 0.00 41.96 42.08 3e8p s TYR 44 CO -0.04 -0.77 0.18 -0.40 -1.34 0.00 0.00 175.55 173.18 3e8p n ASP 45 N 5.35 -0.35 0.23 4.32 3.85 -0.56 -4.78 116.55 124.59 3e8p n ASP 45 Ca -0.03 -2.45 0.14 0.00 -0.71 0.00 0.00 54.79 51.73 3e8p n ASP 45 Cb 0.49 1.08 0.73 0.00 -1.35 0.00 0.00 41.12 42.07 3e8p n ASP 45 CO 0.00 0.00 0.00 -0.29 -1.01 0.00 0.00 177.20 175.90 3e8p h ILE 46 N 1.69 0.00 0.00 2.12 2.10 -1.93 -1.06 117.51 120.43 3e8p h ILE 46 Ca -0.16 0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.78 3e8p h ILE 46 Cb 0.80 0.59 0.00 0.00 -1.09 0.00 0.00 36.82 37.12 3e8p h ILE 46 CO 0.23 0.00 -0.94 0.47 -1.08 0.00 0.00 178.15 176.83 3e8p n ASP 47 N -2.49 0.76 0.00 2.19 10.43 -1.26 -4.74 116.55 121.43 3e8p n ASP 47 Ca -0.02 0.20 0.00 0.00 2.57 0.00 0.00 54.79 57.54 3e8p n ASP 47 Cb 0.14 0.46 0.00 0.00 1.84 0.00 0.00 41.12 43.56 3e8p n ASP 47 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 3e8p n GLY 48 N 1.25 0.09 3.43 0.44 0.00 -0.40 -5.04 105.19 104.95 3e8p n GLY 48 Ca 0.01 -1.61 -0.21 0.00 0.00 0.00 0.00 46.02 44.21 3e8p n GLY 48 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3e8p s VAL 49 N -2.55 1.50 -0.10 1.61 0.11 -1.26 -1.50 120.40 118.21 3e8p s VAL 49 Ca 0.00 -2.08 -0.03 0.00 -2.93 0.00 0.00 61.98 56.93 3e8p s VAL 49 Cb 0.00 -2.53 0.05 0.00 -1.53 0.00 0.00 36.38 32.37 3e8p s VAL 49 CO 0.00 -0.23 0.15 -0.70 -3.33 0.00 0.00 175.10 170.99 3e8p s GLU 50 N -3.77 0.04 -0.10 1.54 2.12 0.32 -4.37 118.70 114.47 3e8p s GLU 50 Ca 0.31 0.46 0.01 0.00 0.36 0.00 0.00 54.97 56.10 3e8p s GLU 50 Cb 0.05 -0.51 -0.02 0.00 0.26 0.00 0.00 34.13 33.91 3e8p s GLU 50 CO 0.12 -0.37 -0.12 0.08 -0.54 0.00 0.00 175.26 174.43 3e8p s VAL 51 N 2.27 3.18 0.06 3.70 1.01 -0.22 -0.70 120.40 129.71 3e8p s VAL 51 Ca 0.04 -0.64 0.07 0.00 0.00 0.00 0.00 61.98 61.45 3e8p s VAL 51 Cb -0.13 -2.31 -0.03 0.00 0.00 0.00 0.00 36.38 33.92 3e8p s VAL 51 CO -0.06 0.55 -0.20 0.00 0.00 0.00 0.00 175.10 175.39 3e8p s ALA 52 N -0.12 1.73 -0.11 5.51 0.00 -0.07 0.12 121.76 128.81 3e8p s ALA 52 Ca -0.01 -1.09 -0.05 0.00 0.00 0.00 0.00 51.96 50.81 3e8p s ALA 52 Cb -0.14 -0.30 0.05 0.00 0.00 0.00 0.00 23.12 22.74 3e8p s ALA 52 CO 0.03 0.37 0.23 -1.50 0.00 0.00 0.00 175.76 174.90 3e8p s ILE 53 N -0.91 -0.25 0.00 0.00 -1.16 -0.05 -1.02 121.20 117.82 3e8p s ILE 53 Ca 0.07 0.24 0.00 0.00 -0.51 0.00 0.00 60.65 60.45 3e8p s ILE 53 Cb -0.09 -0.39 0.00 0.00 0.61 0.00 0.00 42.46 42.59 3e8p s ILE 53 CO 0.02 0.10 0.00 0.59 -2.81 0.00 0.00 174.94 172.85 3e8p n ASN 54 N 4.91 0.00 0.00 4.50 3.02 -1.26 -0.61 115.26 125.82 3e8p n ASN 54 Ca -0.14 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.41 3e8p n ASN 54 Cb 0.51 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.68 3e8p n ASN 54 CO 0.00 0.00 0.00 2.29 -2.62 0.00 0.00 177.26 176.93 3e8p n LYS 56 N 0.00 0.00 -0.32 3.52 2.85 -1.26 -4.95 118.16 118.00 3e8p n LYS 56 Ca 0.00 0.00 0.18 0.00 -1.05 0.00 0.00 58.31 57.44 3e8p n LYS 56 Cb 0.00 0.00 0.36 0.00 -0.65 0.00 0.00 35.03 34.74 3e8p n LYS 56 CO 0.00 0.00 0.00 -1.35 -0.05 0.00 0.00 177.40 176.00 3e8p h PRO 57 N 0.00 0.14 0.00 -1.58 0.11 -2.02 -1.07 132.00 127.58 3e8p h PRO 57 Ca 0.00 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.10 3e8p h PRO 57 Cb 0.00 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 31.08 3e8p h PRO 57 CO 0.00 0.09 0.00 0.39 -0.21 0.00 0.00 178.00 178.27 3e8p n GLU 58 N -5.27 0.09 0.00 1.05 4.71 -1.26 -2.23 120.64 117.73 3e8p n GLU 58 Ca 0.26 0.45 0.12 0.00 -0.01 0.00 0.00 57.16 57.98 3e8p n GLU 58 Cb 0.84 -1.71 0.11 0.00 -1.01 0.00 0.00 31.44 29.66 3e8p n GLU 58 CO 0.00 0.00 0.00 1.28 0.09 0.00 0.00 177.13 178.50 3e8p n LEU 59 N -1.89 2.04 -4.77 -4.62 4.77 -0.40 -4.96 117.00 107.17 3e8p n LEU 59 Ca 0.01 -0.71 -0.40 0.00 -0.03 0.00 0.00 56.01 54.88 3e8p n LEU 59 Cb 0.11 -0.02 -0.01 0.00 -2.33 0.00 0.00 43.42 41.18 3e8p n LEU 59 CO 0.11 0.37 0.97 -0.63 -1.33 0.00 0.00 177.39 176.88 3e8p s ILE 60 N -2.35 2.62 -0.16 -0.08 -1.09 -0.94 -2.13 121.20 117.06 3e8p s ILE 60 Ca 0.23 0.58 0.10 0.00 -2.23 0.00 0.00 60.65 59.32 3e8p s ILE 60 Cb 0.19 -3.35 -0.17 0.00 -1.58 0.00 0.00 42.46 37.55 3e8p s ILE 60 CO 0.49 0.10 -0.01 0.61 -1.23 0.00 0.00 174.94 174.90 3e8p n GLY 61 N 0.69 -0.60 2.67 6.18 0.00 -0.18 -4.59 105.19 109.36 3e8p n GLY 61 Ca 0.03 -0.21 -0.23 0.00 0.00 0.00 0.00 46.02 45.60 3e8p n GLY 61 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3e8p s ASN 62 N -5.12 1.84 0.24 1.61 3.84 -1.25 -4.94 114.94 111.15 3e8p s ASN 62 Ca -0.13 -0.29 -0.07 0.00 0.21 0.00 0.00 52.86 52.59 3e8p s ASN 62 Cb 0.05 -0.28 0.22 0.00 -0.55 0.00 0.00 41.25 40.69 3e8p s ASN 62 CO 0.56 -0.28 1.86 0.16 -2.79 0.00 0.00 177.10 176.61 3e8p h ILE 63 N 6.42 1.26 -0.47 -5.21 3.07 -1.91 -1.30 117.51 119.37 3e8p h ILE 63 Ca -0.15 -0.63 -0.00 0.00 1.55 0.00 0.00 64.86 65.63 3e8p h ILE 63 Cb 1.13 0.02 -0.02 0.00 -0.27 0.00 0.00 36.82 37.67 3e8p h ILE 63 CO 0.24 0.29 0.29 -0.74 -1.05 0.00 0.00 178.15 177.18 3e8p h HIS 64 N 1.27 0.61 -0.00 0.16 2.76 -2.00 -2.82 115.15 115.14 3e8p h HIS 64 Ca 0.32 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.50 3e8p h HIS 64 Cb 0.01 -0.20 0.00 0.00 1.55 0.00 0.00 27.41 28.77 3e8p h HIS 64 CO 0.01 0.41 -0.38 1.04 -1.30 0.00 0.00 177.93 177.71 3e8p n GLN 65 N -4.73 0.35 -3.82 5.26 1.13 -1.20 -4.96 117.38 109.42 3e8p n GLN 65 Ca 0.02 -0.20 -0.24 0.00 -1.94 0.00 0.00 57.00 54.64 3e8p n GLN 65 Cb 0.04 -1.50 0.02 0.00 0.11 0.00 0.00 30.24 28.91 3e8p n GLN 65 CO 0.00 0.00 0.00 0.94 -1.44 0.00 0.00 177.06 176.56 3e8p n GLN 66 N -1.15 -4.55 -4.22 -1.09 -0.06 -0.50 -4.96 117.38 100.86 3e8p n GLN 66 Ca 0.08 0.55 -0.26 0.00 -2.00 0.00 0.00 57.00 55.37 3e8p n GLN 66 Cb 0.34 -5.06 -0.08 0.00 -4.06 0.00 0.00 30.24 21.38 3e8p n GLN 66 CO 0.00 0.00 0.00 0.96 -0.20 0.00 0.00 177.06 177.82 3e8p s ILE 67 N -3.67 3.66 0.36 1.69 -4.36 -1.21 -4.68 121.20 112.99 3e8p s ILE 67 Ca 0.13 -1.45 -0.28 0.00 -0.26 0.00 0.00 60.65 58.79 3e8p s ILE 67 Cb -0.07 -2.84 -0.11 0.00 1.25 0.00 0.00 42.46 40.69 3e8p s ILE 67 CO 0.84 -0.11 1.46 -0.22 0.24 0.00 0.00 174.94 177.14 3e8p s LEU 68 N -2.94 4.34 0.19 0.37 2.96 0.06 -1.01 118.68 122.65 3e8p s LEU 68 Ca 0.27 2.97 -0.30 0.00 -0.22 0.00 0.00 54.13 56.86 3e8p s LEU 68 Cb -0.09 -3.66 -0.08 0.00 0.50 0.00 0.00 46.19 42.85 3e8p s LEU 68 CO 0.18 -0.81 1.28 -2.28 -1.32 0.00 0.00 176.35 173.40 3e8p s HIS 69 N -1.05 3.30 0.63 5.38 5.65 -0.91 -4.50 115.29 123.79 3e8p s HIS 69 Ca 0.53 1.26 0.27 0.00 0.25 0.00 0.00 55.06 57.37 3e8p s HIS 69 Cb -0.45 -3.56 1.40 0.00 -1.18 0.00 0.00 32.58 28.78 3e8p s HIS 69 CO 0.60 -1.71 1.80 0.78 -0.65 0.00 0.00 174.74 175.56 3e8p h GLY 70 N 5.42 0.00 0.81 1.59 0.00 -1.92 -0.78 103.07 108.19 3e8p h GLY 70 Ca -0.44 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 46.85 3e8p h GLY 70 CO 0.77 0.00 -0.00 -1.33 0.00 0.00 0.00 176.54 175.97 3e8p h GLY 71 N 0.00 0.37 0.82 4.60 0.00 -1.97 -1.96 103.07 104.93 3e8p h GLY 71 Ca 0.13 -0.27 0.02 0.00 0.00 0.00 0.00 47.33 47.21 3e8p h GLY 71 CO -0.00 0.25 0.06 -2.08 0.00 0.00 0.00 176.54 174.77 3e8p h VAL 72 N 0.09 0.94 -0.32 4.60 2.07 -1.49 -0.61 116.25 121.52 3e8p h VAL 72 Ca 0.05 -0.05 0.07 0.00 0.82 0.00 0.00 66.70 67.59 3e8p h VAL 72 Cb 0.40 0.78 -0.06 0.00 -1.52 0.00 0.00 31.29 30.88 3e8p h VAL 72 CO 0.01 0.03 -0.10 0.74 0.02 0.00 0.00 177.57 178.26 3e8p h THR 73 N 0.15 0.63 -0.65 2.57 2.02 -1.49 0.54 112.91 116.67 3e8p h THR 73 Ca 0.09 0.00 0.04 0.00 0.77 0.00 0.00 66.41 67.31 3e8p h THR 73 Cb 0.07 0.63 -0.05 0.00 -1.74 0.00 0.00 68.15 67.06 3e8p h THR 73 CO -0.10 0.00 0.39 0.00 0.37 0.00 0.00 175.52 176.18 3e8p h ALA 74 N 1.27 0.86 -0.11 6.16 0.00 -0.92 -0.78 119.26 125.73 3e8p h ALA 74 Ca 0.16 -0.01 0.01 0.00 0.00 0.00 0.00 54.91 55.07 3e8p h ALA 74 Cb 0.27 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 3e8p h ALA 74 CO -0.35 0.12 0.05 1.15 0.00 0.00 0.00 179.25 180.23 3e8p h THR 75 N 0.76 1.00 -0.12 0.00 2.02 -0.28 -0.38 112.91 115.91 3e8p h THR 75 Ca 0.27 -0.04 -0.00 0.00 0.77 0.00 0.00 66.41 67.41 3e8p h THR 75 Cb 0.07 0.87 -0.01 0.00 -1.74 0.00 0.00 68.15 67.35 3e8p h THR 75 CO -0.13 0.02 0.07 0.58 0.37 0.00 0.00 175.52 176.43 3e8p h VAL 76 N 0.12 1.09 -0.73 3.16 2.07 -0.53 -1.64 116.25 119.79 3e8p h VAL 76 Ca 0.04 -0.23 0.05 0.00 0.82 0.00 0.00 66.70 67.38 3e8p h VAL 76 Cb 0.01 1.02 -0.05 0.00 -1.52 0.00 0.00 31.29 30.74 3e8p h VAL 76 CO -0.03 0.08 0.44 -0.07 0.02 0.00 0.00 177.57 178.01 3e8p h LEU 77 N 0.11 0.70 -0.35 2.57 3.38 -1.02 -0.43 115.31 120.26 3e8p h LEU 77 Ca 0.04 0.01 -0.02 0.00 0.09 0.00 0.00 57.88 58.01 3e8p h LEU 77 Cb 0.07 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 40.67 3e8p h LEU 77 CO -0.01 0.46 0.16 -0.78 0.09 0.00 0.00 178.44 178.36 3e8p h ASP 78 N 0.83 0.48 -0.69 -0.43 3.58 -0.85 -1.01 116.42 118.33 3e8p h ASP 78 Ca 0.31 -0.14 -0.08 0.00 0.42 0.00 0.00 57.03 57.54 3e8p h ASP 78 Cb 0.11 -0.12 -0.03 0.00 1.72 0.00 0.00 39.33 41.01 3e8p h ASP 78 CO -0.15 0.49 0.13 0.58 -2.88 0.00 0.00 179.24 177.41 3e8p h VAL 79 N 0.43 1.26 -0.73 2.25 2.07 -0.96 -1.10 116.25 119.48 3e8p h VAL 79 Ca 0.12 -1.02 0.00 0.00 0.82 0.00 0.00 66.70 66.62 3e8p h VAL 79 Cb 0.15 0.59 -0.04 0.00 -1.52 0.00 0.00 31.29 30.47 3e8p h VAL 79 CO -0.01 0.39 0.46 0.58 0.02 0.00 0.00 177.57 179.00 3e8p h VAL 80 N 1.06 1.20 -0.33 2.57 2.07 -0.85 -1.97 116.25 120.00 3e8p h VAL 80 Ca 0.21 -0.40 -0.04 0.00 0.82 0.00 0.00 66.70 67.29 3e8p h VAL 80 Cb 0.42 0.16 -0.01 0.00 -1.52 0.00 0.00 31.29 30.34 3e8p h VAL 80 CO 0.01 0.20 0.06 1.23 0.02 0.00 0.00 177.57 179.09 3e8p h GLY 81 N 0.99 0.58 0.83 2.17 0.00 -0.71 0.14 103.07 107.06 3e8p h GLY 81 Ca 0.26 -0.38 0.02 0.00 0.00 0.00 0.00 47.33 47.23 3e8p h GLY 81 CO -0.05 0.35 0.02 -1.33 0.00 0.00 0.00 176.54 175.52 3e8p h GLY 82 N 0.37 0.14 1.42 4.60 0.00 -1.05 0.76 103.07 109.31 3e8p h GLY 82 Ca 0.10 -0.00 -0.09 0.00 0.00 0.00 0.00 47.33 47.34 3e8p h GLY 82 CO 0.01 -0.01 -0.15 1.41 0.00 0.00 0.00 176.54 177.80 3e8p h LEU 83 N 0.07 0.68 -0.56 3.11 3.38 -1.30 -0.28 115.31 120.41 3e8p h LEU 83 Ca 0.06 -0.21 -0.06 0.00 0.09 0.00 0.00 57.88 57.76 3e8p h LEU 83 Cb 0.06 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.61 3e8p h LEU 83 CO -0.09 0.84 0.12 0.74 0.09 0.00 0.00 178.44 180.14 3e8p h THR 84 N 0.61 1.25 -0.38 0.22 2.02 -0.64 0.87 112.91 116.87 3e8p h THR 84 Ca 0.10 -0.93 -0.11 0.00 0.77 0.00 0.00 66.41 66.24 3e8p h THR 84 Cb 0.61 0.77 -0.01 0.00 -1.74 0.00 0.00 68.15 67.77 3e8p h THR 84 CO 0.04 0.34 -0.22 0.00 0.37 0.00 0.00 175.52 176.05 3e8p h ALA 85 N 1.01 0.90 -0.30 6.16 0.00 -0.56 -1.65 119.26 124.81 3e8p h ALA 85 Ca 0.17 -0.37 -0.14 0.00 0.00 0.00 0.00 54.91 54.58 3e8p h ALA 85 Cb 0.38 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.02 3e8p h ALA 85 CO 0.01 0.62 -0.35 0.35 0.00 0.00 0.00 179.25 179.88 3e8p h PHE 86 N 0.65 0.94 -0.72 0.00 3.57 -0.75 -1.92 116.94 118.71 3e8p h PHE 86 Ca 0.09 -0.29 0.00 0.00 3.53 0.00 0.00 57.97 61.30 3e8p h PHE 86 Cb 0.73 -0.19 -0.04 0.00 2.79 0.00 0.00 35.95 39.24 3e8p h PHE 86 CO 0.04 1.07 0.46 0.00 -2.23 0.00 0.00 178.31 177.65 3e8p h ALA 87 N 0.71 0.91 -0.63 2.41 0.00 -0.71 -0.55 119.26 121.41 3e8p h ALA 87 Ca 0.04 -0.06 -0.05 0.00 0.00 0.00 0.00 54.91 54.84 3e8p h ALA 87 Cb 0.94 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 18.41 3e8p h ALA 87 CO 0.08 0.35 0.19 0.78 0.00 0.00 0.00 179.25 180.66 3e8p h GLY 88 N 0.98 1.03 0.89 0.00 0.00 -1.22 -1.13 103.07 103.62 3e8p h GLY 88 Ca 0.26 -0.59 -0.00 0.00 0.00 0.00 0.00 47.33 47.00 3e8p h GLY 88 CO -0.05 0.55 -0.03 -2.00 0.00 0.00 0.00 176.54 175.01 3e8p h LEU 89 N 0.93 -0.06 -1.22 3.11 5.85 -0.59 -0.95 115.31 122.38 3e8p h LEU 89 Ca 0.21 -0.10 0.05 0.00 0.84 0.00 0.00 57.88 58.87 3e8p h LEU 89 Cb 0.28 0.02 -0.05 0.00 0.37 0.00 0.00 40.66 41.27 3e8p h LEU 89 CO -0.01 0.06 0.55 0.58 -0.34 0.00 0.00 178.44 179.28 3e8p h VAL 90 N -0.19 1.10 0.00 1.05 2.07 -0.89 -2.00 116.25 117.39 3e8p h VAL 90 Ca -0.01 -0.34 0.00 0.00 0.82 0.00 0.00 66.70 67.17 3e8p h VAL 90 Cb 0.16 0.02 0.00 0.00 -1.52 0.00 0.00 31.29 29.96 3e8p h VAL 90 CO 0.01 0.18 0.00 0.00 0.02 0.00 0.00 177.57 177.78 3e8p h ALA 91 N 1.53 1.00 0.00 1.67 0.00 -0.91 -3.29 119.26 119.26 3e8p h ALA 91 Ca 0.34 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.25 3e8p h ALA 91 Cb 0.11 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.90 3e8p h ALA 91 CO -0.11 0.00 0.00 0.66 0.00 0.00 0.00 179.25 179.80 3e8p h SER 92 N 0.00 0.00 -4.29 0.00 4.64 -0.38 -3.45 113.55 110.07 3e8p h SER 92 Ca 0.00 0.00 -0.45 0.00 -0.47 0.00 0.00 61.79 60.87 3e8p h SER 92 Cb 0.78 0.00 -0.26 0.00 -0.31 0.00 0.00 62.40 62.62 3e8p h SER 92 CO 0.00 0.00 -0.80 -0.13 -0.87 0.00 0.00 176.83 175.03 3e8p s ARG 93 N -3.49 0.97 0.00 4.77 0.52 -1.24 -5.01 118.95 115.47 3e8p s ARG 93 Ca 0.03 -0.69 0.26 0.00 -0.52 0.00 0.00 55.73 54.82 3e8p s ARG 93 Cb 0.08 -0.97 0.60 0.00 0.52 0.00 0.00 34.95 35.18 3e8p s ARG 93 CO 0.56 0.25 1.48 -0.40 0.02 0.00 0.00 175.30 177.21 3e8p n ASP 94 N 2.11 2.10 -1.05 0.23 5.75 -1.26 -4.39 116.55 120.04 3e8p n ASP 94 Ca -0.17 -1.65 -0.01 0.00 -0.01 0.00 0.00 54.79 52.96 3e8p n ASP 94 Cb 0.55 0.05 0.15 0.00 -1.03 0.00 0.00 41.12 40.84 3e8p n ASP 94 CO 0.00 0.00 0.00 -0.90 -0.11 0.00 0.00 177.20 176.19 3e8p n ASP 95 N 0.55 2.31 -4.82 -1.12 3.85 -1.26 -5.06 116.55 111.00 3e8p n ASP 95 Ca 0.16 -3.64 -0.32 0.00 -0.71 0.00 0.00 54.79 50.28 3e8p n ASP 95 Cb 0.46 -0.47 0.03 0.00 -1.35 0.00 0.00 41.12 39.80 3e8p n ASP 95 CO 0.00 0.00 0.00 0.26 -1.01 0.00 0.00 177.20 176.45 3e8p s TRP 96 N -3.03 3.11 0.30 2.11 0.52 -1.26 -5.07 118.94 115.63 3e8p s TRP 96 Ca 0.40 1.44 0.11 0.00 0.02 0.00 0.00 56.10 58.08 3e8p s TRP 96 Cb 0.38 -2.91 -0.06 0.00 -1.15 0.00 0.00 33.47 29.74 3e8p s TRP 96 CO -0.06 -1.14 -0.16 0.95 0.02 0.00 0.00 176.95 176.56 3e8p s THR 97 N -2.86 2.40 0.23 2.01 -4.23 -1.26 -5.00 115.64 106.92 3e8p s THR 97 Ca 0.60 -2.34 -0.08 0.00 -1.18 0.00 0.00 61.69 58.69 3e8p s THR 97 Cb -0.14 -2.42 0.21 0.00 1.34 0.00 0.00 72.50 71.48 3e8p s THR 97 CO 0.49 -0.33 1.88 0.40 -0.54 0.00 0.00 174.62 176.52 3e8p h ILE 98 N 2.18 1.24 -0.54 2.99 1.08 -1.97 -2.52 117.51 119.98 3e8p h ILE 98 Ca -0.41 -0.50 -0.09 0.00 -0.39 0.00 0.00 64.86 63.47 3e8p h ILE 98 Cb 1.26 -0.02 -0.02 0.00 -3.07 0.00 0.00 36.82 34.96 3e8p h ILE 98 CO 0.64 0.25 -0.02 -0.33 -0.69 0.00 0.00 178.15 177.99 3e8p h GLU 99 N 1.22 0.93 -0.27 2.37 5.08 -1.98 -1.01 114.58 120.91 3e8p h GLU 99 Ca 0.32 -0.29 -0.12 0.00 -1.00 0.00 0.00 59.36 58.27 3e8p h GLU 99 Cb -0.08 -0.09 -0.00 0.00 0.50 0.00 0.00 28.75 29.08 3e8p h GLU 99 CO -0.06 0.94 -0.32 1.49 -1.00 0.00 0.00 179.01 180.06 3e8p h GLU 100 N 0.85 0.69 0.00 2.33 4.57 -1.94 -2.30 114.58 118.79 3e8p h GLU 100 Ca 0.15 -0.38 -0.08 0.00 -1.18 0.00 0.00 59.36 57.87 3e8p h GLU 100 Cb 0.54 0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 29.14 3e8p h GLU 100 CO 0.03 1.00 -0.36 -0.07 -1.18 0.00 0.00 179.01 178.42 3e8p h LEU 101 N 0.42 0.00 -0.60 1.64 3.38 -1.39 -0.99 115.31 117.77 3e8p h LEU 101 Ca 0.04 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 57.87 3e8p h LEU 101 Cb 0.90 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.63 3e8p h LEU 101 CO 0.08 0.36 -0.65 -0.61 0.09 0.00 0.00 178.44 177.71 3e8p h GLN 102 N 0.00 0.00 0.00 1.13 4.15 -1.09 -1.15 115.11 118.15 3e8p h GLN 102 Ca -0.00 0.00 -0.18 0.00 0.77 0.00 0.00 58.65 59.24 3e8p h GLN 102 Cb 0.78 0.00 -0.02 0.00 0.21 0.00 0.00 27.48 28.44 3e8p h GLN 102 CO 0.05 0.65 -0.83 0.37 -1.93 0.00 0.00 178.83 177.14 3e8p h GLN 103 N 0.00 0.05 -0.30 1.69 4.15 -0.82 -3.12 115.11 116.77 3e8p h GLN 103 Ca -0.01 -0.06 -0.15 0.00 0.77 0.00 0.00 58.65 59.21 3e8p h GLN 103 Cb 1.21 0.02 -0.00 0.00 0.21 0.00 0.00 27.48 28.92 3e8p h GLN 103 CO 0.08 0.85 -0.38 0.00 -1.93 0.00 0.00 178.83 177.45 3e8p h ARG 104 N 0.03 0.79 0.00 1.69 2.47 -0.82 -2.74 114.38 115.79 3e8p h ARG 104 Ca -0.02 -0.45 -0.00 0.00 -1.26 0.00 0.00 59.98 58.25 3e8p h ARG 104 Cb 1.45 0.03 -0.00 0.00 -1.65 0.00 0.00 29.97 29.80 3e8p h ARG 104 CO 0.11 1.08 -0.01 1.25 0.56 0.00 0.00 179.97 182.97 3e8p h LEU 105 N 0.55 0.00 0.04 3.04 5.85 -1.20 0.13 115.31 123.71 3e8p h LEU 105 Ca 0.04 0.00 -0.24 0.00 0.84 0.00 0.00 57.88 58.52 3e8p h LEU 105 Cb 0.97 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.98 3e8p h LEU 105 CO 0.09 0.01 -1.18 1.56 -0.34 0.00 0.00 178.44 178.58 3e8p h GLN 106 N 0.00 0.07 0.00 1.25 1.08 -1.45 -3.27 115.11 112.80 3e8p h GLN 106 Ca -0.00 -0.13 -0.00 0.00 -1.45 0.00 0.00 58.65 57.07 3e8p h GLN 106 Cb 0.01 0.05 -0.00 0.00 -0.05 0.00 0.00 27.48 27.49 3e8p h GLN 106 CO 0.00 0.99 -0.31 0.00 -0.95 0.00 0.00 178.83 178.56 3e8p h THR 107 N 0.02 0.01 -1.79 -0.54 1.03 -1.02 -3.46 112.91 107.17 3e8p h THR 107 Ca -0.09 -1.02 -0.67 0.00 -0.01 0.00 0.00 66.41 64.62 3e8p h THR 107 Cb 1.86 1.86 0.04 0.00 -1.07 0.00 0.00 68.15 70.84 3e8p h THR 107 CO 0.14 0.01 0.72 -0.11 -0.01 0.00 0.00 175.52 176.27 3e8p n LEU 108 N -2.98 2.34 -3.56 0.00 -0.00 0.35 -4.74 117.00 108.41 3e8p n LEU 108 Ca 0.03 1.08 -0.07 0.00 -0.00 0.00 0.00 56.01 57.05 3e8p n LEU 108 Cb 0.54 -1.24 -0.02 0.00 -0.00 0.00 0.00 43.42 42.70 3e8p n LEU 108 CO 0.36 -0.61 0.70 -0.83 -0.00 0.00 0.00 177.39 177.01 3e8p s GLY 109 N 1.89 -0.41 -0.17 -3.96 0.00 -1.26 -5.03 107.32 98.37 3e8p s GLY 109 Ca 0.88 0.80 -0.19 0.00 0.00 0.00 0.00 44.72 46.22 3e8p s GLY 109 CO 0.51 0.26 0.54 -1.59 0.00 0.00 0.00 173.10 172.82 3e8p s THR 110 N -3.15 5.10 -0.18 0.90 2.01 -1.26 -4.38 115.64 114.68 3e8p s THR 110 Ca 0.07 1.03 -0.17 0.00 0.31 0.00 0.00 61.69 62.92 3e8p s THR 110 Cb -0.01 -3.87 -0.14 0.00 0.01 0.00 0.00 72.50 68.49 3e8p s THR 110 CO -0.06 0.20 0.13 0.40 -0.69 0.00 0.00 174.62 174.60 3e8p h ILE 111 N 5.02 0.66 -2.90 1.82 2.04 -0.81 -3.49 117.51 119.85 3e8p h ILE 111 Ca -0.35 -1.77 -0.12 0.00 1.00 0.00 0.00 64.86 63.62 3e8p h ILE 111 Cb 1.16 1.52 -0.03 0.00 -0.74 0.00 0.00 36.82 38.73 3e8p h ILE 111 CO 0.75 0.22 -0.06 -0.90 0.00 0.00 0.00 178.15 178.17 3e8p n ASP 112 N -4.52 -0.64 -3.65 1.72 5.68 -1.14 -5.01 116.55 108.99 3e8p n ASP 112 Ca -0.21 -1.86 -0.08 0.00 -0.50 0.00 0.00 54.79 52.14 3e8p n ASP 112 Cb 0.50 1.19 -0.08 0.00 -1.14 0.00 0.00 41.12 41.59 3e8p n ASP 112 CO 0.00 0.00 0.00 -0.60 -1.33 0.00 0.00 177.20 175.27 3e8p s ARG 114 N -2.35 0.66 -0.11 0.11 3.52 -0.34 -0.68 118.95 119.77 3e8p s ARG 114 Ca 0.13 1.15 0.01 0.00 -0.13 0.00 0.00 55.73 56.89 3e8p s ARG 114 Cb -0.01 0.12 -0.02 0.00 -1.56 0.00 0.00 34.95 33.49 3e8p s ARG 114 CO 0.09 -0.15 -0.13 0.08 -0.81 0.00 0.00 175.30 174.38 3e8p s VAL 115 N 1.56 3.08 -0.29 7.11 1.01 -1.26 -1.38 120.40 130.23 3e8p s VAL 115 Ca -0.10 -0.67 -0.01 0.00 0.00 0.00 0.00 61.98 61.20 3e8p s VAL 115 Cb -0.06 -2.27 0.05 0.00 0.00 0.00 0.00 36.38 34.11 3e8p s VAL 115 CO -0.18 0.54 -0.02 -1.81 0.00 0.00 0.00 175.10 173.63 3e8p s ASP 116 N 0.03 4.82 -0.49 3.32 1.01 0.13 -4.99 116.67 120.50 3e8p s ASP 116 Ca -0.04 -1.29 -0.27 0.00 0.71 0.00 0.00 52.55 51.67 3e8p s ASP 116 Cb -0.14 -1.69 0.03 0.00 1.01 0.00 0.00 42.92 42.13 3e8p s ASP 116 CO 0.04 -0.25 1.02 -0.31 0.21 0.00 0.00 175.17 175.88 3e8p s TYR 117 N 1.23 2.84 -0.15 4.23 1.51 -1.26 -1.17 117.35 124.58 3e8p s TYR 117 Ca -0.06 0.44 -0.20 0.00 -1.01 0.00 0.00 57.07 56.24 3e8p s TYR 117 Cb -0.20 -4.18 -0.24 0.00 -0.11 0.00 0.00 41.96 37.24 3e8p s TYR 117 CO -0.02 -1.23 0.45 -0.07 -1.11 0.00 0.00 175.55 173.58 3e8p h LEU 118 N 10.95 0.15 -8.26 -1.29 3.38 -1.55 -3.49 115.31 115.20 3e8p h LEU 118 Ca -0.24 -0.75 -0.14 0.00 0.09 0.00 0.00 57.88 56.84 3e8p h LEU 118 Cb 1.07 -0.05 -0.14 0.00 0.09 0.00 0.00 40.66 41.62 3e8p h LEU 118 CO 1.08 1.45 -0.57 -0.13 0.09 0.00 0.00 178.44 180.37 3e8p s ARG 119 N -2.38 0.88 0.28 1.13 0.52 -1.09 -5.05 118.95 113.23 3e8p s ARG 119 Ca -0.23 -1.29 -0.30 0.00 -0.52 0.00 0.00 55.73 53.38 3e8p s ARG 119 Cb 0.04 0.27 -0.12 0.00 0.52 0.00 0.00 34.95 35.66 3e8p s ARG 119 CO 0.68 -0.25 1.58 -2.30 0.02 0.00 0.00 175.30 175.03 3e8p n PRO 120 N -0.06 2.61 -1.12 3.54 -0.02 -1.26 -4.82 135.00 133.87 3e8p n PRO 120 Ca -0.09 0.93 -0.35 0.00 -2.02 0.00 0.00 63.50 61.98 3e8p n PRO 120 Cb 0.63 -2.70 -0.03 0.00 -0.02 0.00 0.00 33.50 31.38 3e8p n PRO 120 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3e8p n GLY 121 N 2.36 3.36 3.81 -1.23 0.00 -1.26 -4.92 105.19 107.31 3e8p n GLY 121 Ca 0.10 -1.21 -0.37 0.00 0.00 0.00 0.00 46.02 44.54 3e8p n GLY 121 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3e8p s ARG 122 N 3.65 3.87 0.00 1.61 0.52 -1.26 -0.76 118.95 126.58 3e8p s ARG 122 Ca 0.51 0.07 0.00 0.00 -0.52 0.00 0.00 55.73 55.79 3e8p s ARG 122 Cb 0.13 -3.29 0.00 0.00 0.52 0.00 0.00 34.95 32.32 3e8p s ARG 122 CO -0.00 0.56 0.00 0.41 0.02 0.00 0.00 175.30 176.29 3e8p n GLY 123 N 2.48 1.43 0.13 -3.53 0.00 -1.26 -4.81 105.19 99.64 3e8p n GLY 123 Ca -0.16 -0.98 -0.18 0.00 0.00 0.00 0.00 46.02 44.70 3e8p n GLY 123 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 3e8p n GLN 124 N -0.61 0.60 -4.29 1.61 7.27 -1.26 -4.96 117.38 115.75 3e8p n GLN 124 Ca 0.00 0.15 -0.20 0.00 0.07 0.00 0.00 57.00 57.02 3e8p n GLN 124 Cb 0.00 -1.48 -0.16 0.00 2.41 0.00 0.00 30.24 31.01 3e8p n GLN 124 CO 0.00 0.00 0.00 0.42 0.07 0.00 0.00 177.06 177.55 3e8p s ILE 125 N -2.49 0.67 -0.10 1.69 1.01 -1.26 -4.55 121.20 116.16 3e8p s ILE 125 Ca -0.33 -0.25 0.01 0.00 0.00 0.00 0.00 60.65 60.08 3e8p s ILE 125 Cb 0.09 -0.64 -0.02 0.00 0.01 0.00 0.00 42.46 41.90 3e8p s ILE 125 CO 0.55 0.24 -0.12 -0.36 0.00 0.00 0.00 174.94 175.25 3e8p s PHE 126 N 0.57 2.82 -0.07 3.97 0.08 0.22 -1.17 117.98 124.40 3e8p s PHE 126 Ca -0.09 -0.40 0.04 0.00 0.12 0.00 0.00 56.93 56.60 3e8p s PHE 126 Cb -0.12 -1.79 -0.00 0.00 -0.57 0.00 0.00 43.02 40.54 3e8p s PHE 126 CO 0.01 -0.03 -0.20 0.99 -0.10 0.00 0.00 175.22 175.89 3e8p s THR 127 N -0.06 1.73 -0.01 0.64 2.01 0.15 -0.87 115.64 119.24 3e8p s THR 127 Ca -0.02 -0.85 0.07 0.00 0.31 0.00 0.00 61.69 61.20 3e8p s THR 127 Cb -0.14 -1.50 -0.02 0.00 0.01 0.00 0.00 72.50 70.85 3e8p s THR 127 CO 0.04 0.49 -0.22 -0.83 -0.69 0.00 0.00 174.62 173.41 3e8p s GLY 128 N 0.23 1.40 0.13 4.40 0.00 0.12 -1.21 107.32 112.39 3e8p s GLY 128 Ca -0.11 -1.12 -0.03 0.00 0.00 0.00 0.00 44.72 43.46 3e8p s GLY 128 CO 0.05 -0.94 0.11 -0.51 0.00 0.00 0.00 173.10 171.81 3e8p s THR 129 N -0.72 0.10 0.35 0.90 -4.23 -0.97 -1.05 115.64 110.02 3e8p s THR 129 Ca 0.11 -1.76 -0.12 0.00 -1.18 0.00 0.00 61.69 58.75 3e8p s THR 129 Cb -0.10 -1.94 0.03 0.00 1.34 0.00 0.00 72.50 71.83 3e8p s THR 129 CO 0.01 -0.47 0.66 -0.83 -0.54 0.00 0.00 174.62 173.45 3e8p s GLY 130 N -3.02 0.70 0.01 3.99 0.00 -1.26 -1.47 107.32 106.28 3e8p s GLY 130 Ca 0.21 -0.97 -0.17 0.00 0.00 0.00 0.00 44.72 43.78 3e8p s GLY 130 CO 0.00 -0.54 0.38 -1.35 0.00 0.00 0.00 173.10 171.60 3e8p s SER 131 N -3.11 -0.26 -0.20 1.64 1.04 -0.57 -4.78 113.70 107.46 3e8p s SER 131 Ca 0.20 0.09 -0.25 0.00 0.48 0.00 0.00 55.95 56.47 3e8p s SER 131 Cb -0.03 0.38 -0.01 0.00 0.10 0.00 0.00 66.02 66.45 3e8p s SER 131 CO 0.14 -0.56 0.83 -0.69 0.98 0.00 0.00 173.24 173.93 3e8p s VAL 132 N -1.86 4.86 -0.25 5.02 1.01 -1.26 -1.01 120.40 126.92 3e8p s VAL 132 Ca -0.09 1.59 0.22 0.00 0.00 0.00 0.00 61.98 63.70 3e8p s VAL 132 Cb -0.03 -4.12 -0.30 0.00 0.00 0.00 0.00 36.38 31.93 3e8p s VAL 132 CO 0.02 -0.02 0.60 2.30 0.00 0.00 0.00 175.10 178.00 3e8p n ILE 133 N 4.97 0.03 -3.50 2.22 -5.35 -0.22 -4.85 119.36 112.65 3e8p n ILE 133 Ca 0.05 -0.40 -0.13 0.00 -0.27 0.00 0.00 62.75 62.00 3e8p n ILE 133 Cb 0.48 0.19 -0.11 0.00 -1.74 0.00 0.00 39.64 38.46 3e8p n ILE 133 CO 0.00 0.00 0.00 -0.60 -1.76 0.00 0.00 176.55 174.19 3e8p s ARG 134 N -3.40 0.24 -0.17 6.28 3.52 -0.98 -4.98 118.95 119.47 3e8p s ARG 134 Ca -0.04 0.51 -0.09 0.00 -0.13 0.00 0.00 55.73 55.98 3e8p s ARG 134 Cb 0.14 -0.57 -0.05 0.00 -1.56 0.00 0.00 34.95 32.92 3e8p s ARG 134 CO 0.89 -0.53 0.13 0.00 -0.81 0.00 0.00 175.30 174.98 3e8p s ALA 135 N 2.44 3.74 0.18 6.12 0.00 -1.26 -0.76 121.76 132.22 3e8p s ALA 135 Ca 0.07 -0.68 -0.01 0.00 0.00 0.00 0.00 51.96 51.35 3e8p s ALA 135 Cb -0.14 -2.06 -0.04 0.00 0.00 0.00 0.00 23.12 20.87 3e8p s ALA 135 CO -0.13 0.35 0.09 0.20 0.00 0.00 0.00 175.76 176.27 3e8p s GLY 136 N -0.20 1.31 0.22 0.00 0.00 -0.93 -4.95 107.32 102.78 3e8p s GLY 136 Ca 0.11 -1.64 0.23 0.00 0.00 0.00 0.00 44.72 43.42 3e8p s GLY 136 CO 0.01 -1.42 1.20 -0.57 0.00 0.00 0.00 173.10 172.31 3e8p h ASN 137 N 2.68 0.00 0.00 1.64 -1.24 -1.98 -3.40 115.58 113.28 3e8p h ASN 137 Ca -0.36 -0.05 0.00 0.00 0.71 0.00 0.00 56.30 56.60 3e8p h ASN 137 Cb 1.23 0.00 0.00 0.00 0.73 0.00 0.00 38.32 40.28 3e8p h ASN 137 CO 0.57 0.03 -0.94 -2.11 -1.29 0.00 0.00 177.43 173.68 3e8p n ARG 138 N -2.60 0.53 -4.30 6.67 1.85 -1.26 -3.75 116.66 113.80 3e8p n ARG 138 Ca 0.01 0.00 -0.20 0.00 -1.00 0.00 0.00 57.85 56.66 3e8p n ARG 138 Cb 0.52 -0.97 -0.16 0.00 -1.05 0.00 0.00 32.46 30.80 3e8p n ARG 138 CO 0.00 0.00 0.00 0.08 -0.01 0.00 0.00 177.63 177.70 3e8p s VAL 139 N -1.94 0.68 0.06 8.89 1.01 -1.26 0.14 120.40 127.97 3e8p s VAL 139 Ca 0.00 -0.26 0.05 0.00 0.00 0.00 0.00 61.98 61.76 3e8p s VAL 139 Cb 0.00 -0.64 -0.03 0.00 0.00 0.00 0.00 36.38 35.71 3e8p s VAL 139 CO 0.00 0.23 -0.13 -0.44 0.00 0.00 0.00 175.10 174.76 3e8p s SER 140 N 0.49 1.59 -0.09 3.32 0.01 -0.48 -2.18 113.70 116.35 3e8p s SER 140 Ca -0.07 -0.54 0.04 0.00 1.31 0.00 0.00 55.95 56.68 3e8p s SER 140 Cb -0.11 -0.06 -0.01 0.00 0.21 0.00 0.00 66.02 66.05 3e8p s SER 140 CO 0.01 -0.04 -0.22 -0.69 0.41 0.00 0.00 173.24 172.71 3e8p s VAL 141 N -1.11 2.30 0.20 3.43 1.01 0.06 0.05 120.40 126.35 3e8p s VAL 141 Ca -0.01 -0.95 0.08 0.00 0.00 0.00 0.00 61.98 61.10 3e8p s VAL 141 Cb -0.09 -1.89 -0.05 0.00 0.00 0.00 0.00 36.38 34.36 3e8p s VAL 141 CO 0.02 0.56 -0.16 0.00 0.00 0.00 0.00 175.10 175.52 3e8p s ARG 143 N -3.40 2.10 0.00 0.00 0.52 -0.18 -0.30 118.95 117.70 3e8p s ARG 143 Ca 0.21 -2.04 0.00 0.00 -0.52 0.00 0.00 55.73 53.38 3e8p s ARG 143 Cb -0.02 -1.77 0.00 0.00 0.52 0.00 0.00 34.95 33.67 3e8p s ARG 143 CO 0.07 -0.14 0.00 -1.91 0.02 0.00 0.00 175.30 173.35 3e8p n GLU 145 N -1.14 0.00 -4.45 3.54 0.00 -0.54 -1.52 120.64 116.54 3e8p n GLU 145 Ca -0.05 0.00 -0.22 0.00 0.00 0.00 0.00 57.16 56.89 3e8p n GLU 145 Cb 0.66 0.00 -0.16 0.00 0.00 0.00 0.00 31.44 31.94 3e8p n GLU 145 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.13 175.96 3e8p s LEU 146 N 0.00 1.67 0.04 4.31 2.96 -0.38 -2.30 118.68 124.98 3e8p s LEU 146 Ca 0.00 -0.23 -0.03 0.00 -0.22 0.00 0.00 54.13 53.65 3e8p s LEU 146 Cb 0.00 -0.66 -0.02 0.00 0.50 0.00 0.00 46.19 46.01 3e8p s LEU 146 CO 0.00 0.04 0.04 -1.38 -1.32 0.00 0.00 176.35 173.73 3e8p s HIS 147 N 0.46 0.31 0.67 5.38 -3.43 -0.35 0.22 115.29 118.56 3e8p s HIS 147 Ca -0.08 -0.70 -0.05 0.00 -0.80 0.00 0.00 55.06 53.42 3e8p s HIS 147 Cb -0.12 -0.23 0.14 0.00 -1.43 0.00 0.00 32.58 30.94 3e8p s HIS 147 CO 0.02 -0.35 0.92 0.27 -2.00 0.00 0.00 174.74 173.60 3e8p n ASN 148 N 0.65 0.72 0.01 7.38 0.23 -1.11 0.34 115.26 123.49 3e8p n ASN 148 Ca -0.18 -1.73 0.04 0.00 -0.53 0.00 0.00 54.58 52.18 3e8p n ASN 148 Cb 0.59 -0.64 0.18 0.00 -2.08 0.00 0.00 39.78 37.83 3e8p n ASN 148 CO 0.00 0.00 0.00 -1.84 -0.93 0.00 0.00 177.26 174.49 3e8p n GLU 149 N -2.81 0.01 0.00 -3.83 0.00 -0.32 -0.87 120.64 112.82 3e8p n GLU 149 Ca 0.14 0.37 0.13 0.00 0.00 0.00 0.00 57.16 57.79 3e8p n GLU 149 Cb 0.48 -1.52 0.32 0.00 0.00 0.00 0.00 31.44 30.72 3e8p n GLU 149 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.13 178.17 3e8p n GLN 150 N -1.54 0.45 -0.73 3.44 1.13 -1.26 -4.95 117.38 113.92 3e8p n GLN 150 Ca 0.02 -0.26 0.00 0.00 -1.94 0.00 0.00 57.00 54.82 3e8p n GLN 150 Cb 0.09 -1.49 0.00 0.00 0.11 0.00 0.00 30.24 28.95 3e8p n GLN 150 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3e8p n GLY 151 N 1.41 0.63 3.77 1.08 0.00 -0.05 -5.04 105.19 106.98 3e8p n GLY 151 Ca 0.09 -0.04 -0.39 0.00 0.00 0.00 0.00 46.02 45.68 3e8p n GLY 151 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3e8p s THR 152 N -2.00 4.86 -0.09 2.61 -4.23 -1.26 -4.85 115.64 110.68 3e8p s THR 152 Ca 0.00 1.29 -0.30 0.00 -1.18 0.00 0.00 61.69 61.50 3e8p s THR 152 Cb 0.00 -3.95 -0.04 0.00 1.34 0.00 0.00 72.50 69.85 3e8p s THR 152 CO 0.00 0.43 1.41 -1.00 -0.54 0.00 0.00 174.62 174.91 3e8p s HIS 153 N -0.29 2.61 -0.10 3.99 3.76 -1.26 -2.73 115.29 121.27 3e8p s HIS 153 Ca 0.32 0.74 -0.07 0.00 -0.15 0.00 0.00 55.06 55.89 3e8p s HIS 153 Cb -0.19 -3.66 -0.27 0.00 1.11 0.00 0.00 32.58 29.58 3e8p s HIS 153 CO 0.18 -2.48 0.45 0.82 -0.85 0.00 0.00 174.74 172.86 3e8p h ILE 154 N 5.36 0.71 -2.29 0.60 1.08 -0.55 -3.38 117.51 119.04 3e8p h ILE 154 Ca -0.33 -2.40 -0.03 0.00 -0.39 0.00 0.00 64.86 61.71 3e8p h ILE 154 Cb 1.15 2.57 -0.17 0.00 -3.07 0.00 0.00 36.82 37.30 3e8p h ILE 154 CO 0.94 0.88 0.24 0.00 -0.69 0.00 0.00 178.15 179.53 3e8p s ALA 155 N -2.57 -1.73 0.13 1.87 0.00 -1.18 -1.43 121.76 116.86 3e8p s ALA 155 Ca -0.20 1.06 0.09 0.00 0.00 0.00 0.00 51.96 52.91 3e8p s ALA 155 Cb 0.06 0.24 -0.04 0.00 0.00 0.00 0.00 23.12 23.39 3e8p s ALA 155 CO 0.79 -0.51 -0.15 -0.06 0.00 0.00 0.00 175.76 175.83 3e8p s PHE 156 N -2.10 2.58 0.08 0.00 0.08 -0.32 -1.24 117.98 117.06 3e8p s PHE 156 Ca -0.05 -0.24 0.01 0.00 0.12 0.00 0.00 56.93 56.77 3e8p s PHE 156 Cb -0.00 -1.34 -0.04 0.00 -0.57 0.00 0.00 43.02 41.07 3e8p s PHE 156 CO 0.01 0.43 -0.06 0.20 -0.10 0.00 0.00 175.22 175.70 3e8p s GLY 157 N -2.34 0.68 -0.05 4.36 0.00 -1.26 0.18 107.32 108.89 3e8p s GLY 157 Ca 0.20 -1.26 -0.02 0.00 0.00 0.00 0.00 44.72 43.64 3e8p s GLY 157 CO 0.12 -1.36 0.08 -1.59 0.00 0.00 0.00 173.10 170.35 3e8p s THR 158 N -3.46 -0.12 0.05 0.90 2.01 -0.48 -4.41 115.64 110.14 3e8p s THR 158 Ca 0.09 0.34 0.06 0.00 0.31 0.00 0.00 61.69 62.49 3e8p s THR 158 Cb 0.04 -0.17 -0.02 0.00 0.01 0.00 0.00 72.50 72.36 3e8p s THR 158 CO -0.05 0.14 -0.16 -0.83 -0.69 0.00 0.00 174.62 173.03 3e8p s GLY 159 N 1.84 0.91 -0.27 4.40 0.00 0.59 -1.19 107.32 113.60 3e8p s GLY 159 Ca -0.00 -0.94 -0.05 0.00 0.00 0.00 0.00 44.72 43.72 3e8p s GLY 159 CO -0.04 -0.92 0.03 -1.59 0.00 0.00 0.00 173.10 170.58 3e8p s THR 160 N -0.95 3.63 0.00 0.90 2.01 0.15 -0.13 115.64 121.24 3e8p s THR 160 Ca 0.02 -0.72 0.00 0.00 0.31 0.00 0.00 61.69 61.30 3e8p s THR 160 Cb -0.09 -2.83 0.00 0.00 0.01 0.00 0.00 72.50 69.60 3e8p s THR 160 CO 0.02 0.17 0.00 -1.22 -0.69 0.00 0.00 174.62 172.90 3e8p n TYR 161 N 4.81 0.00 0.00 4.92 4.01 0.11 -0.03 117.16 130.97 3e8p n TYR 161 Ca -0.16 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.58 3e8p n TYR 161 Cb 0.48 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.51 3e8p n TYR 161 CO 0.00 0.00 0.00 1.33 -0.46 0.00 0.00 176.86 177.73 3e8p n VAL 163 N 0.00 0.00 -1.05 -0.72 0.24 0.12 -1.39 118.33 115.53 3e8p n VAL 163 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.30 3e8p n VAL 163 Cb 0.00 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.37 3e8p n VAL 163 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30