#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3e8p n ASN 13 N 0.00 3.28 -0.34 4.04 2.85 -1.26 -4.87 115.26 118.96 3e8p n ASN 13 Ca 0.00 1.19 0.05 0.00 -0.11 0.00 0.00 54.58 55.71 3e8p n ASN 13 Cb 0.00 -1.54 0.23 0.00 1.24 0.00 0.00 39.78 39.72 3e8p n ASN 13 CO 0.00 0.00 0.00 1.55 -2.11 0.00 0.00 177.26 176.70 3e8p h PRO 14 N 3.42 1.01 0.02 1.20 0.13 -2.00 -1.15 132.00 134.63 3e8p h PRO 14 Ca -0.47 -0.06 -0.24 0.00 -0.87 0.00 0.00 66.00 64.36 3e8p h PRO 14 Cb 1.26 -0.23 0.01 0.00 0.13 0.00 0.00 31.00 32.17 3e8p h PRO 14 CO 0.69 0.67 -1.00 0.82 -0.23 0.00 0.00 178.00 178.95 3e8p h ILE 15 N 1.04 1.39 0.00 -3.56 2.04 -1.92 -2.86 117.51 113.64 3e8p h ILE 15 Ca 0.44 -2.48 -0.02 0.00 1.00 0.00 0.00 64.86 63.80 3e8p h ILE 15 Cb 0.30 2.47 -0.00 0.00 -0.74 0.00 0.00 36.82 38.86 3e8p h ILE 15 CO -0.19 0.74 -0.10 1.56 0.00 0.00 0.00 178.15 180.17 3e8p h GLN 16 N 0.24 0.00 -0.00 2.37 4.20 -1.73 -2.19 115.11 118.00 3e8p h GLN 16 Ca -0.10 0.00 -0.15 0.00 0.06 0.00 0.00 58.65 58.47 3e8p h GLN 16 Cb 1.64 0.00 0.01 0.00 0.30 0.00 0.00 27.48 29.44 3e8p h GLN 16 CO 0.18 0.10 -0.57 0.00 -0.67 0.00 0.00 178.83 177.86 3e8p h ALA 17 N 1.90 0.07 0.15 3.87 0.00 -1.14 -2.82 119.26 121.29 3e8p h ALA 17 Ca -0.00 -0.56 0.02 0.00 0.00 0.00 0.00 54.91 54.37 3e8p h ALA 17 Cb 0.22 0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.00 3e8p h ALA 17 CO 0.01 0.33 -0.42 0.93 0.00 0.00 0.00 179.25 180.10 3e8p h GLU 18 N -0.14 -0.65 -0.94 0.00 4.39 -1.17 -1.40 114.58 114.66 3e8p h GLU 18 Ca -0.07 0.04 0.03 0.00 0.34 0.00 0.00 59.36 59.70 3e8p h GLU 18 Cb 1.28 0.15 -0.05 0.00 -0.10 0.00 0.00 28.75 30.03 3e8p h GLU 18 CO 0.11 -0.44 0.62 -0.39 -1.16 0.00 0.00 179.01 177.75 3e8p h VAL 19 N -0.68 1.19 0.00 3.13 -1.51 -1.60 0.30 116.25 117.08 3e8p h VAL 19 Ca 0.01 -0.42 -0.03 0.00 -1.23 0.00 0.00 66.70 65.04 3e8p h VAL 19 Cb 0.69 -0.14 -0.00 0.00 -2.13 0.00 0.00 31.29 29.71 3e8p h VAL 19 CO -0.23 0.22 -0.12 -0.07 -1.23 0.00 0.00 177.57 176.14 3e8p h LEU 20 N 1.22 0.00 0.00 4.19 3.38 -1.17 0.71 115.31 123.64 3e8p h LEU 20 Ca 0.36 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.33 3e8p h LEU 20 Cb -0.05 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.70 3e8p h LEU 20 CO -0.10 0.12 -1.36 1.17 0.09 0.00 0.00 178.44 178.36 3e8p n LYS 21 N -3.85 0.27 -0.06 1.13 4.81 -0.57 -3.80 118.16 116.08 3e8p n LYS 21 Ca -0.02 -0.07 -0.04 0.00 -0.87 0.00 0.00 58.31 57.31 3e8p n LYS 21 Cb 0.22 -1.52 -0.01 0.00 0.02 0.00 0.00 35.03 33.74 3e8p n LYS 21 CO 0.00 0.00 0.00 -2.13 1.17 0.00 0.00 177.40 176.44 3e8p n ARG 22 N -1.82 0.36 -0.35 1.64 3.00 0.98 -3.71 116.66 116.77 3e8p n ARG 22 Ca 0.01 0.43 0.15 0.00 -0.00 0.00 0.00 57.85 58.44 3e8p n ARG 22 Cb 0.43 -1.46 0.35 0.00 0.00 0.00 0.00 32.46 31.78 3e8p n ARG 22 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.63 177.91 3e8p h VAL 23 N -0.79 0.61 -0.94 5.15 2.07 0.18 0.64 116.25 123.19 3e8p h VAL 23 Ca 0.00 -0.23 0.01 0.00 0.82 0.00 0.00 66.70 67.31 3e8p h VAL 23 Cb 0.45 -0.11 -0.05 0.00 -1.52 0.00 0.00 31.29 30.07 3e8p h VAL 23 CO 0.00 0.12 0.62 0.00 0.02 0.00 0.00 177.57 178.33 3e8p h ALA 24 N 1.69 1.34 0.00 1.67 0.00 -1.70 -1.70 119.26 120.57 3e8p h ALA 24 Ca 0.61 -0.06 -0.18 0.00 0.00 0.00 0.00 54.91 55.28 3e8p h ALA 24 Cb 1.07 -0.37 -0.03 0.00 0.00 0.00 0.00 17.79 18.46 3e8p h ALA 24 CO -0.43 0.61 -0.85 0.93 0.00 0.00 0.00 179.25 179.51 3e8p h GLU 25 N 1.26 0.00 0.82 0.00 4.39 -0.04 -2.05 114.58 118.95 3e8p h GLU 25 Ca 0.35 0.00 -0.04 0.00 0.34 0.00 0.00 59.36 60.01 3e8p h GLU 25 Cb -0.13 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 28.53 3e8p h GLU 25 CO -0.08 0.85 -0.39 0.28 -1.16 0.00 0.00 179.01 178.51 3e8p h VAL 26 N 0.00 0.00 -0.42 3.13 2.07 0.46 -2.30 116.25 119.20 3e8p h VAL 26 Ca -0.01 -0.10 0.07 0.00 0.82 0.00 0.00 66.70 67.48 3e8p h VAL 26 Cb 1.57 0.00 -0.06 0.00 -1.52 0.00 0.00 31.29 31.28 3e8p h VAL 26 CO 0.11 0.00 0.08 -0.26 0.02 0.00 0.00 177.57 177.52 3e8p h PHE 27 N -1.20 0.13 -0.40 1.57 -1.00 -1.44 0.18 116.94 114.78 3e8p h PHE 27 Ca -0.11 0.03 0.07 0.00 2.81 0.00 0.00 57.97 60.77 3e8p h PHE 27 Cb 0.84 0.01 -0.09 0.00 3.61 0.00 0.00 35.95 40.32 3e8p h PHE 27 CO 0.02 0.01 -0.41 0.22 -1.61 0.00 0.00 178.31 176.54 3e8p h ASP 28 N 0.21 -1.36 0.00 2.17 3.58 -1.29 -3.37 116.42 116.37 3e8p h ASP 28 Ca 0.20 0.21 0.00 0.00 0.42 0.00 0.00 57.03 57.87 3e8p h ASP 28 Cb 0.25 0.60 0.00 0.00 1.72 0.00 0.00 39.33 41.90 3e8p h ASP 28 CO -0.27 -0.36 -0.30 0.00 -2.88 0.00 0.00 179.24 175.43 3e8p n GLN 29 N -5.42 3.54 0.00 0.28 1.13 -0.87 -4.72 117.38 111.32 3e8p n GLN 29 Ca -0.00 0.00 0.13 0.00 -1.94 0.00 0.00 57.00 55.19 3e8p n GLN 29 Cb 0.35 -0.56 0.73 0.00 0.11 0.00 0.00 30.24 30.86 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 -0.84 0.00 -3.71 1.08 8.25 0.61 -4.65 115.22 115.95 3e8p n HIS 30 Ca 0.00 0.00 -0.38 0.00 -0.26 0.00 0.00 57.72 57.08 3e8p n HIS 30 Cb 0.00 -0.17 -0.12 0.00 1.12 0.00 0.00 29.99 30.82 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 -2.33 4.11 0.20 1.59 1.01 -1.24 -5.01 120.40 118.74 3e8p s VAL 31 Ca 0.32 -0.82 -0.15 0.00 0.00 0.00 0.00 61.98 61.33 3e8p s VAL 31 Cb 0.18 -3.21 0.20 0.00 0.00 0.00 0.00 36.38 33.55 3e8p s VAL 31 CO 0.37 -0.06 1.63 -0.65 0.00 0.00 0.00 175.10 176.38 3e8p h PRO 32 N 8.29 -0.03 -0.59 2.72 0.11 -1.95 -1.14 132.00 139.41 3e8p h PRO 32 Ca -0.28 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.81 3e8p h PRO 32 Cb 1.11 0.01 -0.03 0.00 0.11 0.00 0.00 31.00 32.20 3e8p h PRO 32 CO 0.62 -0.02 0.29 0.35 -0.21 0.00 0.00 178.00 179.02 3e8p h PHE 33 N -0.04 0.81 -0.41 0.65 3.57 -1.98 -0.79 116.94 118.75 3e8p h PHE 33 Ca 0.28 -0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.74 3e8p h PHE 33 Cb 0.46 -0.26 -0.02 0.00 2.79 0.00 0.00 35.95 38.92 3e8p h PHE 33 CO -0.51 0.59 0.21 0.45 -2.23 0.00 0.00 178.31 176.83 3e8p h HIS 34 N 0.82 0.55 0.04 0.41 3.86 -1.57 -2.25 115.15 117.02 3e8p h HIS 34 Ca 0.21 -0.01 -0.22 0.00 -1.16 0.00 0.00 60.37 59.19 3e8p h HIS 34 Cb 0.08 -0.18 -0.01 0.00 1.06 0.00 0.00 27.41 28.35 3e8p h HIS 34 CO 0.01 0.40 -1.01 -0.91 0.86 0.00 0.00 177.93 177.28 3e8p h ASN 35 N 0.57 0.23 -0.24 2.45 2.35 -0.84 0.27 115.58 120.37 3e8p h ASN 35 Ca 0.15 -0.22 -0.05 0.00 -0.55 0.00 0.00 56.30 55.63 3e8p h ASN 35 Cb 0.04 -0.07 -0.02 0.00 0.05 0.00 0.00 38.32 38.32 3e8p h ASN 35 CO -0.02 1.10 -0.00 0.25 -1.65 0.00 0.00 177.43 177.10 3e8p h LEU 36 N 0.07 0.51 0.00 1.61 5.85 -0.68 -2.92 115.31 119.74 3e8p h LEU 36 Ca -0.06 -0.10 -0.11 0.00 0.84 0.00 0.00 57.88 58.45 3e8p h LEU 36 Cb 1.70 -0.13 -0.02 0.00 0.37 0.00 0.00 40.66 42.58 3e8p h LEU 36 CO 0.15 0.58 -1.21 -0.07 -0.34 0.00 0.00 178.44 177.56 3e8p h LEU 37 N 0.52 0.00 0.00 2.25 4.07 -1.44 -3.48 115.31 117.22 3e8p h LEU 37 Ca 0.11 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.07 3e8p h LEU 37 Cb 0.34 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.08 3e8p h LEU 37 CO 0.01 0.38 0.00 0.61 -1.08 0.00 0.00 178.44 178.37 3e8p n GLY 38 N 1.31 0.98 3.69 0.83 0.00 -0.52 -4.84 105.19 106.65 3e8p n GLY 38 Ca -0.06 -0.55 -0.42 0.00 0.00 0.00 0.00 46.02 44.99 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 4.29 -0.10 0.99 0.20 0.83 -4.46 118.68 120.43 3e8p s LEU 39 Ca 0.00 1.62 0.02 0.00 0.69 0.00 0.00 54.13 56.46 3e8p s LEU 39 Cb 0.00 -3.56 0.01 0.00 -0.43 0.00 0.00 46.19 42.21 3e8p s LEU 39 CO 0.00 -0.41 -0.15 -1.81 -0.29 0.00 0.00 176.35 173.69 3e8p s ASP 40 N 1.11 2.32 -0.96 3.68 -0.00 -0.78 -4.70 116.67 117.33 3e8p s ASP 40 Ca 0.51 -0.40 -0.20 0.00 -0.00 0.00 0.00 52.55 52.45 3e8p s ASP 40 Cb -0.20 -1.04 0.10 0.00 -0.00 0.00 0.00 42.92 41.78 3e8p s ASP 40 CO 0.22 0.03 1.23 -0.63 -0.00 0.00 0.00 175.17 176.02 3e8p s ILE 41 N 0.88 4.46 0.15 0.77 1.09 -1.26 -1.35 121.20 125.94 3e8p s ILE 41 Ca -0.09 -1.31 -0.28 0.00 -1.10 0.00 0.00 60.65 57.87 3e8p s ILE 41 Cb -0.15 -4.87 -0.02 0.00 -1.06 0.00 0.00 42.46 36.35 3e8p s ILE 41 CO 0.00 -1.65 1.58 0.50 -0.10 0.00 0.00 174.94 175.27 3e8p h LYS 42 N 9.15 -0.36 0.00 2.79 3.64 -1.85 -3.45 116.57 126.48 3e8p h LYS 42 Ca 0.17 0.02 -0.35 0.00 -1.27 0.00 0.00 60.65 59.23 3e8p h LYS 42 Cb 1.02 0.08 -0.08 0.00 -0.41 0.00 0.00 32.23 32.84 3e8p h LYS 42 CO 1.21 -0.24 -0.31 0.54 -2.27 0.00 0.00 179.45 178.38 3e8p n ARG 43 N -5.42 0.50 -3.21 1.90 1.74 -1.25 -5.03 116.66 105.88 3e8p n ARG 43 Ca -0.02 -2.26 0.04 0.00 -0.77 0.00 0.00 57.85 54.84 3e8p n ARG 43 Cb 0.35 1.51 -0.04 0.00 -1.02 0.00 0.00 32.46 33.26 3e8p n ARG 43 CO 0.00 0.00 0.00 -0.47 -1.52 0.00 0.00 177.63 175.64 3e8p s TYR 44 N -2.72 -0.19 0.20 -1.55 5.04 -1.26 -3.43 117.35 113.43 3e8p s TYR 44 Ca 0.20 0.32 -0.22 0.00 -2.44 0.00 0.00 57.07 54.93 3e8p s TYR 44 Cb 0.01 0.11 0.05 0.00 0.35 0.00 0.00 41.96 42.48 3e8p s TYR 44 CO 0.14 -0.10 0.62 0.16 -1.34 0.00 0.00 175.55 175.03 3e8p s ASP 45 N 2.20 -0.44 0.08 4.32 1.47 -1.26 -4.79 116.67 118.26 3e8p s ASP 45 Ca -0.01 -0.24 0.06 0.00 1.18 0.00 0.00 52.55 53.54 3e8p s ASP 45 Cb -0.02 0.63 0.27 0.00 -0.34 0.00 0.00 42.92 43.46 3e8p s ASP 45 CO -0.16 -1.09 0.29 2.30 0.68 0.00 0.00 175.17 177.20 3e8p n ILE 46 N -0.39 -0.05 0.00 2.11 -5.35 -1.26 -3.14 119.36 111.28 3e8p n ILE 46 Ca -0.12 0.34 0.00 0.00 -0.27 0.00 0.00 62.75 62.70 3e8p n ILE 46 Cb 0.63 -0.56 0.00 0.00 -1.74 0.00 0.00 39.64 37.97 3e8p n ILE 46 CO 0.00 0.00 0.00 0.47 -1.76 0.00 0.00 176.55 175.26 3e8p n ASP 47 N -3.09 0.00 -4.13 7.28 9.92 -1.26 -4.75 116.55 120.51 3e8p n ASP 47 Ca 0.07 0.00 -0.26 0.00 -0.53 0.00 0.00 54.79 54.08 3e8p n ASP 47 Cb 0.28 0.00 -0.16 0.00 -0.64 0.00 0.00 41.12 40.60 3e8p n ASP 47 CO 0.00 0.00 0.00 -0.83 0.13 0.00 0.00 177.20 176.50 3e8p s GLY 48 N -0.83 0.89 0.49 0.44 0.00 -1.19 -4.95 107.32 102.18 3e8p s GLY 48 Ca 0.00 -0.68 -0.03 0.00 0.00 0.00 0.00 44.72 44.01 3e8p s GLY 48 CO 0.00 -0.38 0.76 0.54 0.00 0.00 0.00 173.10 174.03 3e8p s VAL 49 N -0.02 4.21 -0.01 1.40 0.11 -1.26 -4.22 120.40 120.61 3e8p s VAL 49 Ca -0.02 -0.16 0.02 0.00 -2.93 0.00 0.00 61.98 58.89 3e8p s VAL 49 Cb -0.11 -3.60 -0.00 0.00 -1.53 0.00 0.00 36.38 31.14 3e8p s VAL 49 CO 0.02 -0.52 -0.05 -0.70 -3.33 0.00 0.00 175.10 170.51 3e8p s GLU 50 N -4.72 0.48 -0.09 1.54 2.12 -1.22 -4.24 118.70 112.57 3e8p s GLU 50 Ca 0.49 -0.18 -0.01 0.00 0.36 0.00 0.00 54.97 55.63 3e8p s GLU 50 Cb -0.10 -0.48 0.03 0.00 0.26 0.00 0.00 34.13 33.84 3e8p s GLU 50 CO 0.42 0.09 -0.02 0.08 -0.54 0.00 0.00 175.26 175.28 3e8p s VAL 51 N 0.03 0.59 0.22 3.70 1.01 -0.38 -2.41 120.40 123.16 3e8p s VAL 51 Ca 0.00 -0.03 0.10 0.00 0.00 0.00 0.00 61.98 62.05 3e8p s VAL 51 Cb -0.04 -0.71 -0.04 0.00 0.00 0.00 0.00 36.38 35.58 3e8p s VAL 51 CO -0.00 0.28 -0.14 0.00 0.00 0.00 0.00 175.10 175.24 3e8p s ALA 52 N 1.88 2.84 -0.16 5.51 0.00 -0.46 0.77 121.76 132.14 3e8p s ALA 52 Ca 0.05 -1.64 -0.07 0.00 0.00 0.00 0.00 51.96 50.30 3e8p s ALA 52 Cb -0.12 -0.54 0.07 0.00 0.00 0.00 0.00 23.12 22.53 3e8p s ALA 52 CO -0.06 0.38 0.36 -1.50 0.00 0.00 0.00 175.76 174.94 3e8p s ILE 53 N -1.98 -0.33 0.00 0.00 2.07 0.43 -1.87 121.20 119.51 3e8p s ILE 53 Ca 0.26 0.17 0.00 0.00 -1.41 0.00 0.00 60.65 59.67 3e8p s ILE 53 Cb -0.07 -0.57 0.00 0.00 0.13 0.00 0.00 42.46 41.95 3e8p s ILE 53 CO 0.15 0.07 0.00 0.59 -1.91 0.00 0.00 174.94 173.84 3e8p n ASN 54 N 4.89 0.00 0.00 4.50 3.02 -1.26 -1.41 115.26 125.00 3e8p n ASN 54 Ca -0.15 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.40 3e8p n ASN 54 Cb 0.52 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.69 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 -0.43 3.52 2.85 -1.26 -4.98 118.16 117.86 3e8p n LYS 56 Ca 0.00 0.00 0.36 0.00 -1.05 0.00 0.00 58.31 57.62 3e8p n LYS 56 Cb 0.00 0.00 0.63 0.00 -0.65 0.00 0.00 35.03 35.01 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 0.09 0.00 -1.58 0.11 -2.03 0.23 132.00 128.82 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 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 31.09 3e8p h PRO 57 CO 0.00 0.06 0.00 0.93 -0.21 0.00 0.00 178.00 178.78 3e8p h GLU 58 N 0.10 0.00 -0.07 1.05 3.07 -2.00 -2.91 114.58 113.81 3e8p h GLU 58 Ca 0.81 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.67 3e8p h GLU 58 Cb 2.49 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 30.40 3e8p h GLU 58 CO -0.45 0.00 0.00 1.28 -1.40 0.00 0.00 179.01 178.44 3e8p n LEU 59 N -2.67 2.63 -4.78 1.33 4.77 0.07 -4.98 117.00 113.37 3e8p n LEU 59 Ca -0.00 -0.92 -0.36 0.00 -0.03 0.00 0.00 56.01 54.70 3e8p n LEU 59 Cb 0.18 -0.03 -0.03 0.00 -2.33 0.00 0.00 43.42 41.21 3e8p n LEU 59 CO 0.20 0.46 0.76 -0.63 -1.33 0.00 0.00 177.39 176.84 3e8p s ILE 60 N -1.94 3.55 0.00 -0.08 1.01 -1.10 -1.38 121.20 121.26 3e8p s ILE 60 Ca 0.32 1.11 0.00 0.00 0.00 0.00 0.00 60.65 62.07 3e8p s ILE 60 Cb 0.20 -3.53 0.00 0.00 0.01 0.00 0.00 42.46 39.14 3e8p s ILE 60 CO 0.31 -0.07 0.00 0.61 0.00 0.00 0.00 174.94 175.79 3e8p n GLY 61 N 0.20 -0.20 3.60 6.18 0.00 0.29 -4.54 105.19 110.72 3e8p n GLY 61 Ca 0.07 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.67 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 -1.10 6.64 0.31 1.61 3.84 -1.24 -4.92 114.94 120.07 3e8p s ASN 62 Ca 0.00 0.50 0.10 0.00 0.21 0.00 0.00 52.86 53.67 3e8p s ASN 62 Cb 0.00 -2.45 0.51 0.00 -0.55 0.00 0.00 41.25 38.76 3e8p s ASN 62 CO 0.00 -0.84 1.71 0.40 -2.79 0.00 0.00 177.10 175.58 3e8p h ILE 63 N 5.82 1.34 -0.26 -5.21 2.04 -1.92 0.47 117.51 119.78 3e8p h ILE 63 Ca -0.24 -1.62 -0.05 0.00 1.00 0.00 0.00 64.86 63.95 3e8p h ILE 63 Cb 1.08 1.83 -0.01 0.00 -0.74 0.00 0.00 36.82 38.98 3e8p h ILE 63 CO 0.97 0.47 -0.04 0.45 0.00 0.00 0.00 178.15 180.00 3e8p h HIS 64 N 0.08 0.55 0.00 1.37 3.86 -2.00 -2.96 115.15 116.05 3e8p h HIS 64 Ca 0.00 -0.11 0.00 0.00 -1.16 0.00 0.00 60.37 59.10 3e8p h HIS 64 Cb 0.85 -0.14 0.00 0.00 1.06 0.00 0.00 27.41 29.19 3e8p h HIS 64 CO 0.01 0.68 -0.43 1.96 0.86 0.00 0.00 177.93 181.01 3e8p h GLN 65 N 0.25 0.00 -5.99 2.45 1.08 -1.97 -3.48 115.11 107.47 3e8p h GLN 65 Ca 0.07 0.00 -0.39 0.00 -1.45 0.00 0.00 58.65 56.88 3e8p h GLN 65 Cb 0.49 0.00 0.09 0.00 -0.05 0.00 0.00 27.48 28.01 3e8p h GLN 65 CO 0.02 0.00 -0.84 1.04 -0.95 0.00 0.00 178.83 178.10 3e8p n GLN 66 N -2.44 -4.36 -4.30 1.46 1.13 0.16 -4.98 117.38 104.05 3e8p n GLN 66 Ca 0.03 0.65 -0.27 0.00 -1.94 0.00 0.00 57.00 55.47 3e8p n GLN 66 Cb 0.47 -5.20 -0.10 0.00 0.11 0.00 0.00 30.24 25.53 3e8p n GLN 66 CO 0.00 0.00 0.00 0.96 -1.44 0.00 0.00 177.06 176.58 3e8p s ILE 67 N -3.58 3.05 0.35 5.09 -4.36 -1.05 -4.81 121.20 115.88 3e8p s ILE 67 Ca 0.11 -1.65 -0.29 0.00 -0.26 0.00 0.00 60.65 58.57 3e8p s ILE 67 Cb -0.03 -2.48 -0.12 0.00 1.25 0.00 0.00 42.46 41.09 3e8p s ILE 67 CO 0.80 -0.06 1.46 -0.11 0.24 0.00 0.00 174.94 177.28 3e8p n LEU 68 N 0.24 4.37 -4.74 0.37 7.94 0.21 -0.54 117.00 124.84 3e8p n LEU 68 Ca -0.12 1.20 -0.41 0.00 -1.11 0.00 0.00 56.01 55.57 3e8p n LEU 68 Cb 0.55 -1.58 -0.03 0.00 0.53 0.00 0.00 43.42 42.89 3e8p n LEU 68 CO 0.33 -0.01 0.94 -2.28 -1.11 0.00 0.00 177.39 175.27 3e8p s HIS 69 N -0.85 3.31 0.60 1.96 5.65 -0.48 -4.50 115.29 120.99 3e8p s HIS 69 Ca 0.56 1.32 0.29 0.00 0.25 0.00 0.00 55.06 57.47 3e8p s HIS 69 Cb -0.51 -3.54 1.48 0.00 -1.18 0.00 0.00 32.58 28.83 3e8p s HIS 69 CO 0.60 -1.61 1.88 0.78 -0.65 0.00 0.00 174.74 175.74 3e8p h GLY 70 N 5.15 0.00 1.85 1.59 0.00 -1.92 0.12 103.07 109.86 3e8p h GLY 70 Ca -0.45 0.00 -0.11 0.00 0.00 0.00 0.00 47.33 46.78 3e8p h GLY 70 CO 0.75 0.00 -0.43 -1.33 0.00 0.00 0.00 176.54 175.53 3e8p h GLY 71 N 0.00 0.18 0.81 4.60 0.00 -1.97 -1.55 103.07 105.14 3e8p h GLY 71 Ca 0.18 -0.17 -0.07 0.00 0.00 0.00 0.00 47.33 47.27 3e8p h GLY 71 CO -0.00 0.16 -0.13 -2.08 0.00 0.00 0.00 176.54 174.48 3e8p h VAL 72 N 0.14 1.32 -0.48 4.60 2.07 -1.33 -0.45 116.25 122.12 3e8p h VAL 72 Ca 0.01 -1.23 0.05 0.00 0.82 0.00 0.00 66.70 66.35 3e8p h VAL 72 Cb 0.83 1.70 -0.05 0.00 -1.52 0.00 0.00 31.29 32.25 3e8p h VAL 72 CO 0.06 0.37 0.20 0.74 0.02 0.00 0.00 177.57 178.97 3e8p h THR 73 N 0.12 0.90 0.01 2.57 2.02 -1.49 -0.90 112.91 116.13 3e8p h THR 73 Ca 0.04 -0.14 -0.00 0.00 0.77 0.00 0.00 66.41 67.08 3e8p h THR 73 Cb 0.64 0.46 0.00 0.00 -1.74 0.00 0.00 68.15 67.51 3e8p h THR 73 CO 0.04 0.07 -0.01 0.00 0.37 0.00 0.00 175.52 175.99 3e8p h ALA 74 N 1.29 -0.02 -0.06 6.16 0.00 -1.17 -2.33 119.26 123.13 3e8p h ALA 74 Ca 0.22 -0.06 0.04 0.00 0.00 0.00 0.00 54.91 55.11 3e8p h ALA 74 Cb 0.18 0.01 -0.06 0.00 0.00 0.00 0.00 17.79 17.92 3e8p h ALA 74 CO -0.19 -0.45 -0.33 1.15 0.00 0.00 0.00 179.25 179.43 3e8p h THR 75 N -0.13 0.29 -0.85 0.00 2.02 -0.70 -0.94 112.91 112.59 3e8p h THR 75 Ca -0.00 0.00 0.08 0.00 0.77 0.00 0.00 66.41 67.26 3e8p h THR 75 Cb 0.12 0.29 -0.07 0.00 -1.74 0.00 0.00 68.15 66.75 3e8p h THR 75 CO 0.00 0.00 0.51 0.58 0.37 0.00 0.00 175.52 176.98 3e8p h VAL 76 N -0.44 0.97 -0.42 3.16 2.07 -1.13 -1.25 116.25 119.20 3e8p h VAL 76 Ca 0.08 -0.30 -0.09 0.00 0.82 0.00 0.00 66.70 67.21 3e8p h VAL 76 Cb 0.56 0.01 -0.01 0.00 -1.52 0.00 0.00 31.29 30.32 3e8p h VAL 76 CO -0.31 0.16 -0.08 -0.07 0.02 0.00 0.00 177.57 177.29 3e8p h LEU 77 N 0.88 0.80 -0.68 2.57 3.38 -1.07 -1.48 115.31 119.71 3e8p h LEU 77 Ca 0.40 -0.35 -0.00 0.00 0.09 0.00 0.00 57.88 58.01 3e8p h LEU 77 Cb 0.29 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.79 3e8p h LEU 77 CO -0.22 0.96 0.41 -0.78 0.09 0.00 0.00 178.44 178.91 3e8p h ASP 78 N 0.62 0.81 -0.41 -0.43 -0.00 -0.66 -1.52 116.42 114.83 3e8p h ASP 78 Ca 0.11 -0.06 -0.04 0.00 -0.00 0.00 0.00 57.03 57.04 3e8p h ASP 78 Cb 0.60 -0.20 -0.02 0.00 -0.00 0.00 0.00 39.33 39.71 3e8p h ASP 78 CO 0.04 0.63 0.09 0.58 -0.00 0.00 0.00 179.24 180.58 3e8p h VAL 79 N 0.92 1.23 -0.80 2.25 2.07 -1.15 -2.19 116.25 118.59 3e8p h VAL 79 Ca 0.24 -0.80 0.06 0.00 0.82 0.00 0.00 66.70 67.02 3e8p h VAL 79 Cb -0.03 0.98 -0.06 0.00 -1.52 0.00 0.00 31.29 30.66 3e8p h VAL 79 CO -0.05 0.28 0.48 0.58 0.02 0.00 0.00 177.57 178.88 3e8p h VAL 80 N 0.52 1.01 -0.21 2.57 2.07 -0.97 -2.42 116.25 118.81 3e8p h VAL 80 Ca 0.13 -0.30 -0.03 0.00 0.82 0.00 0.00 66.70 67.32 3e8p h VAL 80 Cb 0.32 0.07 -0.01 0.00 -1.52 0.00 0.00 31.29 30.15 3e8p h VAL 80 CO 0.00 0.16 -0.00 1.23 0.02 0.00 0.00 177.57 178.98 3e8p h GLY 81 N 0.86 0.40 1.00 2.17 0.00 -1.00 -0.54 103.07 105.97 3e8p h GLY 81 Ca 0.35 -0.30 0.00 0.00 0.00 0.00 0.00 47.33 47.39 3e8p h GLY 81 CO -0.18 0.28 0.29 -1.33 0.00 0.00 0.00 176.54 175.59 3e8p h GLY 82 N 0.13 0.64 1.00 4.60 0.00 -1.31 0.29 103.07 108.43 3e8p h GLY 82 Ca 0.06 -0.25 -0.02 0.00 0.00 0.00 0.00 47.33 47.12 3e8p h GLY 82 CO 0.01 0.24 0.33 1.41 0.00 0.00 0.00 176.54 178.53 3e8p h LEU 83 N 0.60 0.84 -0.44 3.11 3.38 -1.41 0.76 115.31 122.16 3e8p h LEU 83 Ca 0.16 -0.12 -0.03 0.00 0.09 0.00 0.00 57.88 57.99 3e8p h LEU 83 Cb -0.05 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.46 3e8p h LEU 83 CO -0.03 0.72 0.17 0.74 0.09 0.00 0.00 178.44 180.12 3e8p h THR 84 N 0.90 1.21 0.53 0.22 2.02 -0.67 -0.09 112.91 117.02 3e8p h THR 84 Ca 0.23 -0.66 -0.03 0.00 0.77 0.00 0.00 66.41 66.72 3e8p h THR 84 Cb 0.09 0.81 0.01 0.00 -1.74 0.00 0.00 68.15 67.32 3e8p h THR 84 CO -0.03 0.24 -0.25 0.00 0.37 0.00 0.00 175.52 175.85 3e8p h ALA 85 N 1.01 -0.71 -0.92 6.16 0.00 0.00 -1.47 119.26 123.33 3e8p h ALA 85 Ca 0.15 -0.17 0.07 0.00 0.00 0.00 0.00 54.91 54.96 3e8p h ALA 85 Cb 0.21 0.27 -0.07 0.00 0.00 0.00 0.00 17.79 18.21 3e8p h ALA 85 CO -0.01 -0.85 0.58 0.35 0.00 0.00 0.00 179.25 179.32 3e8p h PHE 86 N -0.80 1.07 -0.72 0.00 3.57 -0.80 0.09 116.94 119.34 3e8p h PHE 86 Ca -0.07 0.03 0.02 0.00 3.53 0.00 0.00 57.97 61.48 3e8p h PHE 86 Cb 0.58 -0.34 -0.04 0.00 2.79 0.00 0.00 35.95 38.94 3e8p h PHE 86 CO -0.02 0.52 0.48 0.00 -2.23 0.00 0.00 178.31 177.06 3e8p h ALA 87 N 1.44 1.53 -0.45 2.41 0.00 -0.86 -0.86 119.26 122.48 3e8p h ALA 87 Ca 0.41 -0.04 -0.08 0.00 0.00 0.00 0.00 54.91 55.20 3e8p h ALA 87 Cb 0.23 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 3e8p h ALA 87 CO -0.19 0.41 -0.07 0.78 0.00 0.00 0.00 179.25 180.19 3e8p h GLY 88 N 0.93 0.84 1.01 0.00 0.00 0.08 -2.36 103.07 103.57 3e8p h GLY 88 Ca 0.28 -0.60 -0.06 0.00 0.00 0.00 0.00 47.33 46.94 3e8p h GLY 88 CO -0.07 0.55 0.11 -2.00 0.00 0.00 0.00 176.54 175.13 3e8p h LEU 89 N 0.71 0.87 0.76 3.11 5.85 -0.18 -2.84 115.31 123.59 3e8p h LEU 89 Ca 0.13 -0.25 -0.03 0.00 0.84 0.00 0.00 57.88 58.56 3e8p h LEU 89 Cb 0.53 -0.23 0.00 0.00 0.37 0.00 0.00 40.66 41.33 3e8p h LEU 89 CO 0.03 0.90 -0.41 0.58 -0.34 0.00 0.00 178.44 179.19 3e8p h VAL 90 N 0.80 0.16 0.00 1.05 2.07 -0.93 -2.83 116.25 116.58 3e8p h VAL 90 Ca 0.17 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.69 3e8p h VAL 90 Cb 0.39 0.16 0.00 0.00 -1.52 0.00 0.00 31.29 30.32 3e8p h VAL 90 CO 0.01 0.00 0.00 0.00 0.02 0.00 0.00 177.57 177.60 3e8p h ALA 91 N -0.88 1.00 0.00 1.67 0.00 -1.45 -2.82 119.26 116.77 3e8p h ALA 91 Ca -0.10 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.81 3e8p h ALA 91 Cb 0.85 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.64 3e8p h ALA 91 CO 0.13 0.00 0.00 -1.13 0.00 0.00 0.00 179.25 178.25 3e8p n SER 92 N -2.67 0.41 -3.99 0.00 3.41 -1.07 -4.83 113.62 104.89 3e8p n SER 92 Ca -0.02 0.59 -0.08 0.00 -0.26 0.00 0.00 58.87 59.10 3e8p n SER 92 Cb 0.06 -0.68 -0.09 0.00 -0.26 0.00 0.00 64.21 63.24 3e8p n SER 92 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 3e8p s ARG 93 N -3.17 0.79 0.00 4.33 0.52 -1.07 -5.03 118.95 115.33 3e8p s ARG 93 Ca 0.06 -1.13 0.00 0.00 -0.52 0.00 0.00 55.73 54.14 3e8p s ARG 93 Cb 0.10 0.28 0.00 0.00 0.52 0.00 0.00 34.95 35.86 3e8p s ARG 93 CO 0.38 -0.22 0.49 -0.25 0.02 0.00 0.00 175.30 175.71 3e8p n ASP 94 N -0.01 0.99 -0.47 0.23 8.00 -1.26 -4.59 116.55 119.44 3e8p n ASP 94 Ca -0.13 -0.99 0.12 0.00 0.71 0.00 0.00 54.79 54.50 3e8p n ASP 94 Cb 0.62 0.04 0.14 0.00 -0.02 0.00 0.00 41.12 41.90 3e8p n ASP 94 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 3e8p n ASP 95 N -0.02 1.81 -4.67 -2.24 9.92 -1.26 -4.98 116.55 115.11 3e8p n ASP 95 Ca 0.00 -1.38 -0.54 0.00 -0.53 0.00 0.00 54.79 52.33 3e8p n ASP 95 Cb 0.01 0.32 -0.06 0.00 -0.64 0.00 0.00 41.12 40.74 3e8p n ASP 95 CO 0.00 0.00 0.00 0.79 0.13 0.00 0.00 177.20 178.12 3e8p n TRP 96 N -0.07 1.92 -2.68 1.24 5.03 -1.26 -4.98 117.44 116.64 3e8p n TRP 96 Ca 0.11 0.51 -0.22 0.00 3.03 0.00 0.00 57.50 60.92 3e8p n TRP 96 Cb 0.44 -2.44 0.11 0.00 -1.03 0.00 0.00 31.31 28.39 3e8p n TRP 96 CO 0.00 0.00 0.00 0.25 -0.03 0.00 0.00 177.69 177.91 3e8p n THR 97 N 3.94 0.00 -0.04 -0.99 -2.24 -1.26 -4.91 114.28 108.78 3e8p n THR 97 Ca 0.23 -1.63 -0.13 0.00 -2.27 0.00 0.00 64.05 60.26 3e8p n THR 97 Cb 0.17 -0.84 -0.11 0.00 -2.10 0.00 0.00 70.33 67.46 3e8p n THR 97 CO 0.00 0.00 0.00 0.40 -0.57 0.00 0.00 175.07 174.90 3e8p h ILE 98 N -0.50 1.49 -0.12 2.28 5.03 -1.98 -3.14 117.51 120.58 3e8p h ILE 98 Ca -0.32 -1.81 -0.06 0.00 -0.12 0.00 0.00 64.86 62.55 3e8p h ILE 98 Cb 1.22 2.66 -0.01 0.00 -3.03 0.00 0.00 36.82 37.67 3e8p h ILE 98 CO 0.36 0.45 -0.22 1.05 -0.68 0.00 0.00 178.15 179.11 3e8p h GLU 99 N -0.84 0.20 -0.31 2.37 4.11 -1.98 -1.29 114.58 116.83 3e8p h GLU 99 Ca -0.00 -0.06 0.05 0.00 0.07 0.00 0.00 59.36 59.42 3e8p h GLU 99 Cb 0.75 -0.02 -0.05 0.00 0.50 0.00 0.00 28.75 29.94 3e8p h GLU 99 CO 0.00 0.42 0.03 1.49 0.07 0.00 0.00 179.01 181.02 3e8p h GLU 100 N 0.19 0.13 0.00 1.06 4.81 -1.96 -0.82 114.58 117.98 3e8p h GLU 100 Ca 0.03 -0.01 -0.13 0.00 -0.13 0.00 0.00 59.36 59.12 3e8p h GLU 100 Cb 0.50 -0.03 -0.02 0.00 0.63 0.00 0.00 28.75 29.83 3e8p h GLU 100 CO 0.03 0.08 -0.63 -0.07 -0.73 0.00 0.00 179.01 177.70 3e8p h LEU 101 N 0.13 0.00 -0.69 1.64 3.38 -1.44 -3.08 115.31 115.25 3e8p h LEU 101 Ca 0.15 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 58.05 3e8p h LEU 101 Cb 0.18 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.90 3e8p h LEU 101 CO -0.22 0.63 0.16 1.56 0.09 0.00 0.00 178.44 180.66 3e8p h GLN 102 N 0.00 1.10 -0.45 1.13 4.20 -0.56 0.72 115.11 121.26 3e8p h GLN 102 Ca -0.01 -0.27 -0.07 0.00 0.06 0.00 0.00 58.65 58.37 3e8p h GLN 102 Cb 1.34 -0.14 -0.02 0.00 0.30 0.00 0.00 27.48 28.96 3e8p h GLN 102 CO 0.08 0.98 0.00 1.96 -0.67 0.00 0.00 178.83 181.19 3e8p h GLN 103 N 1.04 0.73 -0.13 1.46 4.20 -1.17 -2.45 115.11 118.79 3e8p h GLN 103 Ca 0.22 -0.19 -0.02 0.00 0.06 0.00 0.00 58.65 58.72 3e8p h GLN 103 Cb 0.38 -0.09 -0.00 0.00 0.30 0.00 0.00 27.48 28.06 3e8p h GLN 103 CO 0.00 0.75 0.01 0.00 -0.67 0.00 0.00 178.83 178.92 3e8p h ARG 104 N 0.69 0.23 -0.04 1.46 2.47 -1.31 -2.62 114.38 115.26 3e8p h ARG 104 Ca 0.14 -0.07 0.01 0.00 -1.26 0.00 0.00 59.98 58.80 3e8p h ARG 104 Cb 0.42 -0.02 -0.00 0.00 -1.65 0.00 0.00 29.97 28.72 3e8p h ARG 104 CO 0.02 0.45 0.04 1.25 0.56 0.00 0.00 179.97 182.28 3e8p h LEU 105 N -0.02 0.00 -0.05 3.04 5.85 -0.65 0.18 115.31 123.65 3e8p h LEU 105 Ca 0.04 0.00 -0.03 0.00 0.84 0.00 0.00 57.88 58.72 3e8p h LEU 105 Cb 0.34 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.37 3e8p h LEU 105 CO 0.01 0.00 -0.16 1.56 -0.34 0.00 0.00 178.44 179.50 3e8p h GLN 106 N 0.00 0.00 0.00 1.25 1.08 -1.26 -3.22 115.11 112.96 3e8p h GLN 106 Ca 0.02 0.00 -0.27 0.00 -1.45 0.00 0.00 58.65 56.95 3e8p h GLN 106 Cb 0.09 0.00 -0.04 0.00 -0.05 0.00 0.00 27.48 27.48 3e8p h GLN 106 CO -0.00 0.16 -1.54 1.15 -0.95 0.00 0.00 178.83 177.66 3e8p h THR 107 N 0.00 1.01 -1.47 -0.54 2.02 -0.38 -3.47 112.91 110.08 3e8p h THR 107 Ca -0.00 -2.82 -0.72 0.00 0.77 0.00 0.00 66.41 63.64 3e8p h THR 107 Cb 1.11 2.49 0.05 0.00 -1.74 0.00 0.00 68.15 70.06 3e8p h THR 107 CO 0.02 0.58 0.38 -0.11 0.37 0.00 0.00 175.52 176.76 3e8p n LEU 108 N -3.10 1.24 -3.58 2.58 7.94 0.00 -4.76 117.00 117.32 3e8p n LEU 108 Ca -0.13 1.13 -0.06 0.00 -1.11 0.00 0.00 56.01 55.84 3e8p n LEU 108 Cb 1.02 -1.11 -0.03 0.00 0.53 0.00 0.00 43.42 43.83 3e8p n LEU 108 CO 0.45 -1.23 0.92 -0.83 -1.11 0.00 0.00 177.39 175.59 3e8p s GLY 109 N 0.62 -0.28 -0.04 -3.96 0.00 -1.26 -5.04 107.32 97.35 3e8p s GLY 109 Ca 0.88 1.68 -0.24 0.00 0.00 0.00 0.00 44.72 47.04 3e8p s GLY 109 CO 0.52 0.63 0.71 -1.59 0.00 0.00 0.00 173.10 173.36 3e8p s THR 110 N -2.21 4.97 -0.23 0.90 2.01 -1.26 -4.48 115.64 115.34 3e8p s THR 110 Ca 0.07 1.47 -0.18 0.00 0.31 0.00 0.00 61.69 63.36 3e8p s THR 110 Cb -0.01 -4.05 -0.17 0.00 0.01 0.00 0.00 72.50 68.28 3e8p s THR 110 CO -0.05 0.29 0.03 -0.38 -0.69 0.00 0.00 174.62 173.82 3e8p n ILE 111 N 3.49 1.54 -3.46 1.82 5.41 0.43 -5.00 119.36 123.59 3e8p n ILE 111 Ca -0.02 -0.18 -0.03 0.00 1.00 0.00 0.00 62.75 63.52 3e8p n ILE 111 Cb 0.51 -1.96 -0.00 0.00 -0.71 0.00 0.00 39.64 37.48 3e8p n ILE 111 CO 0.00 0.00 0.00 -0.90 0.00 0.00 0.00 176.55 175.65 3e8p n ASP 112 N -4.31 -0.40 -3.66 4.38 5.68 -1.15 -5.02 116.55 112.07 3e8p n ASP 112 Ca -0.40 -1.40 -0.09 0.00 -0.50 0.00 0.00 54.79 52.40 3e8p n ASP 112 Cb 0.77 0.70 -0.08 0.00 -1.14 0.00 0.00 41.12 41.37 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 -2.11 0.61 -0.08 0.11 3.52 0.66 -1.25 118.95 120.41 3e8p s ARG 114 Ca 0.05 1.03 0.03 0.00 -0.13 0.00 0.00 55.73 56.71 3e8p s ARG 114 Cb -0.01 0.12 -0.02 0.00 -1.56 0.00 0.00 34.95 33.48 3e8p s ARG 114 CO 0.04 -0.14 -0.16 0.08 -0.81 0.00 0.00 175.30 174.30 3e8p s VAL 115 N 1.38 2.84 -0.28 7.11 1.01 -1.26 -0.91 120.40 130.29 3e8p s VAL 115 Ca -0.08 -0.78 -0.01 0.00 0.00 0.00 0.00 61.98 61.11 3e8p s VAL 115 Cb -0.06 -2.13 0.04 0.00 0.00 0.00 0.00 36.38 34.24 3e8p s VAL 115 CO -0.15 0.56 -0.04 -1.81 0.00 0.00 0.00 175.10 173.67 3e8p s ASP 116 N -0.23 4.63 -0.35 3.32 1.01 0.85 -4.99 116.67 120.91 3e8p s ASP 116 Ca 0.00 -1.18 -0.26 0.00 0.71 0.00 0.00 52.55 51.83 3e8p s ASP 116 Cb -0.13 -1.67 0.01 0.00 1.01 0.00 0.00 42.92 42.14 3e8p s ASP 116 CO 0.03 -0.21 0.92 -0.31 0.21 0.00 0.00 175.17 175.81 3e8p s TYR 117 N 1.25 3.12 -0.20 4.23 1.51 -1.26 -1.09 117.35 124.91 3e8p s TYR 117 Ca -0.04 0.85 -0.14 0.00 -1.01 0.00 0.00 57.07 56.73 3e8p s TYR 117 Cb -0.19 -3.56 -0.20 0.00 -0.11 0.00 0.00 41.96 37.91 3e8p s TYR 117 CO -0.03 -0.76 0.12 1.28 -1.11 0.00 0.00 175.55 175.06 3e8p n LEU 118 N 6.66 2.21 -4.04 -1.29 4.77 -0.34 -5.00 117.00 119.97 3e8p n LEU 118 Ca 0.07 0.29 -0.07 0.00 -0.03 0.00 0.00 56.01 56.27 3e8p n LEU 118 Cb 0.48 -0.98 -0.09 0.00 -2.33 0.00 0.00 43.42 40.49 3e8p n LEU 118 CO 0.56 0.56 -0.30 -0.13 -1.33 0.00 0.00 177.39 176.75 3e8p s ARG 119 N -2.46 0.66 0.26 3.23 0.52 -0.74 -5.03 118.95 115.39 3e8p s ARG 119 Ca -0.29 -1.15 -0.31 0.00 -0.52 0.00 0.00 55.73 53.46 3e8p s ARG 119 Cb 0.08 0.24 -0.13 0.00 0.52 0.00 0.00 34.95 35.66 3e8p s ARG 119 CO 0.63 -0.14 1.47 -2.30 0.02 0.00 0.00 175.30 174.98 3e8p n PRO 120 N 0.10 2.27 -1.76 3.54 -0.02 -1.26 -4.79 135.00 133.08 3e8p n PRO 120 Ca -0.14 0.81 -0.37 0.00 -2.02 0.00 0.00 63.50 61.77 3e8p n PRO 120 Cb 0.61 -2.51 -0.04 0.00 -0.02 0.00 0.00 33.50 31.54 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 2.15 2.18 3.42 -1.23 0.00 -1.26 -4.92 105.19 105.53 3e8p n GLY 121 Ca 0.10 -1.11 -0.32 0.00 0.00 0.00 0.00 46.02 44.70 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 5.26 2.24 0.00 1.61 0.52 -1.26 0.63 118.95 127.95 3e8p s ARG 122 Ca 0.60 -0.86 0.00 0.00 -0.52 0.00 0.00 55.73 54.95 3e8p s ARG 122 Cb 0.07 -2.21 0.00 0.00 0.52 0.00 0.00 34.95 33.33 3e8p s ARG 122 CO 0.10 0.58 0.00 0.41 0.02 0.00 0.00 175.30 176.41 3e8p n GLY 123 N 2.12 0.93 0.13 -3.53 0.00 -1.26 -4.84 105.19 98.74 3e8p n GLY 123 Ca -0.17 -1.22 -0.24 0.00 0.00 0.00 0.00 46.02 44.40 3e8p n GLY 123 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3e8p n GLN 124 N -1.04 0.62 -4.66 1.61 6.02 -1.26 -4.95 117.38 113.71 3e8p n GLN 124 Ca 0.00 0.35 -0.23 0.00 -0.01 0.00 0.00 57.00 57.11 3e8p n GLN 124 Cb 0.00 -1.62 -0.15 0.00 1.02 0.00 0.00 30.24 29.49 3e8p n GLN 124 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 3e8p s ILE 125 N -2.47 1.14 -0.03 5.09 1.01 -1.26 -4.60 121.20 120.08 3e8p s ILE 125 Ca -0.32 -0.60 0.07 0.00 0.00 0.00 0.00 60.65 59.80 3e8p s ILE 125 Cb 0.10 -0.96 -0.02 0.00 0.01 0.00 0.00 42.46 41.58 3e8p s ILE 125 CO 0.59 0.33 -0.24 -0.36 0.00 0.00 0.00 174.94 175.26 3e8p s PHE 126 N -0.20 2.41 -0.03 3.97 0.08 -0.50 -1.41 117.98 122.31 3e8p s PHE 126 Ca 0.03 -0.44 0.03 0.00 0.12 0.00 0.00 56.93 56.67 3e8p s PHE 126 Cb -0.07 -1.54 -0.00 0.00 -0.57 0.00 0.00 43.02 40.84 3e8p s PHE 126 CO 0.00 -0.03 -0.11 0.99 -0.10 0.00 0.00 175.22 175.97 3e8p s THR 127 N -0.55 0.93 0.04 0.64 2.01 0.05 -0.43 115.64 118.33 3e8p s THR 127 Ca 0.08 -0.46 0.09 0.00 0.31 0.00 0.00 61.69 61.71 3e8p s THR 127 Cb -0.11 -0.81 -0.03 0.00 0.01 0.00 0.00 72.50 71.56 3e8p s THR 127 CO 0.00 0.28 -0.24 -0.83 -0.69 0.00 0.00 174.62 173.14 3e8p s GLY 128 N 0.06 1.44 0.13 4.40 0.00 0.23 -1.53 107.32 112.05 3e8p s GLY 128 Ca -0.01 -1.24 -0.04 0.00 0.00 0.00 0.00 44.72 43.43 3e8p s GLY 128 CO 0.01 -1.12 0.13 -0.51 0.00 0.00 0.00 173.10 171.61 3e8p s THR 129 N -0.82 0.11 0.26 0.90 -4.23 -0.72 -1.25 115.64 109.88 3e8p s THR 129 Ca 0.12 -1.66 -0.05 0.00 -1.18 0.00 0.00 61.69 58.93 3e8p s THR 129 Cb -0.10 -1.84 0.02 0.00 1.34 0.00 0.00 72.50 71.91 3e8p s THR 129 CO 0.03 -0.50 0.42 0.61 -0.54 0.00 0.00 174.62 174.64 3e8p n GLY 130 N -0.10 2.00 3.56 3.99 0.00 -1.26 -1.06 105.19 112.31 3e8p n GLY 130 Ca -0.08 -1.41 -0.15 0.00 0.00 0.00 0.00 46.02 44.37 3e8p n GLY 130 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3e8p s SER 131 N -2.51 -0.60 -0.07 1.61 1.04 -0.80 -4.67 113.70 107.69 3e8p s SER 131 Ca 0.17 0.78 -0.29 0.00 0.48 0.00 0.00 55.95 57.09 3e8p s SER 131 Cb -0.02 0.66 -0.02 0.00 0.10 0.00 0.00 66.02 66.74 3e8p s SER 131 CO 0.12 -0.47 0.98 -0.69 0.98 0.00 0.00 173.24 174.16 3e8p s VAL 132 N -0.84 4.82 -0.31 5.02 1.01 -1.26 -1.04 120.40 127.81 3e8p s VAL 132 Ca -0.07 2.01 0.18 0.00 0.00 0.00 0.00 61.98 64.11 3e8p s VAL 132 Cb -0.01 -4.30 -0.25 0.00 0.00 0.00 0.00 36.38 31.82 3e8p s VAL 132 CO 0.06 0.06 0.53 2.30 0.00 0.00 0.00 175.10 178.05 3e8p n ILE 133 N 4.32 0.00 -3.47 2.22 -5.35 0.73 -4.82 119.36 113.00 3e8p n ILE 133 Ca 0.07 -0.30 -0.19 0.00 -0.27 0.00 0.00 62.75 62.06 3e8p n ILE 133 Cb 0.50 0.40 -0.12 0.00 -1.74 0.00 0.00 39.64 38.68 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 -3.07 0.24 -0.11 6.28 3.52 -0.76 -4.98 118.95 120.07 3e8p s ARG 134 Ca -0.02 0.02 -0.20 0.00 -0.13 0.00 0.00 55.73 55.39 3e8p s ARG 134 Cb 0.12 -1.02 -0.04 0.00 -1.56 0.00 0.00 34.95 32.46 3e8p s ARG 134 CO 0.75 -0.82 0.58 0.00 -0.81 0.00 0.00 175.30 175.00 3e8p s ALA 135 N 2.32 3.44 0.16 6.12 0.00 -1.26 -0.59 121.76 131.94 3e8p s ALA 135 Ca 0.08 -0.09 0.03 0.00 0.00 0.00 0.00 51.96 51.98 3e8p s ALA 135 Cb -0.15 -2.80 -0.05 0.00 0.00 0.00 0.00 23.12 20.12 3e8p s ALA 135 CO -0.22 -0.12 -0.05 0.20 0.00 0.00 0.00 175.76 175.57 3e8p s GLY 136 N 0.78 1.14 0.25 0.00 0.00 -0.89 -4.94 107.32 103.65 3e8p s GLY 136 Ca 0.30 -1.54 0.17 0.00 0.00 0.00 0.00 44.72 43.66 3e8p s GLY 136 CO 0.13 -1.56 1.30 -0.57 0.00 0.00 0.00 173.10 172.40 3e8p h ASN 137 N 2.74 0.00 0.00 1.64 -1.24 -1.97 -3.39 115.58 113.36 3e8p h ASN 137 Ca -0.37 0.00 -0.01 0.00 0.71 0.00 0.00 56.30 56.64 3e8p h ASN 137 Cb 1.20 0.00 -0.00 0.00 0.73 0.00 0.00 38.32 40.24 3e8p h ASN 137 CO 0.64 0.40 -1.02 -2.11 -1.29 0.00 0.00 177.43 174.04 3e8p n ARG 138 N -3.08 2.28 -4.27 6.67 0.00 -1.26 -4.06 116.66 112.94 3e8p n ARG 138 Ca -0.00 0.00 -0.19 0.00 -0.00 0.00 0.00 57.85 57.66 3e8p n ARG 138 Cb 0.71 -1.01 -0.15 0.00 -0.00 0.00 0.00 32.46 32.01 3e8p n ARG 138 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.63 177.71 3e8p s VAL 139 N -2.01 0.61 0.04 8.89 1.01 -1.26 -0.63 120.40 127.06 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 -0.56 -0.02 0.00 0.00 0.00 0.00 36.38 35.80 3e8p s VAL 139 CO 0.01 0.20 -0.13 -0.44 0.00 0.00 0.00 175.10 174.74 3e8p s SER 140 N 0.29 1.55 -0.05 3.32 0.01 -0.32 -2.10 113.70 116.39 3e8p s SER 140 Ca -0.04 -0.48 0.06 0.00 1.31 0.00 0.00 55.95 56.80 3e8p s SER 140 Cb -0.08 -0.08 -0.01 0.00 0.21 0.00 0.00 66.02 66.06 3e8p s SER 140 CO 0.00 -0.01 -0.24 -0.69 0.41 0.00 0.00 173.24 172.71 3e8p s VAL 141 N -0.95 1.95 0.25 3.43 1.01 0.24 -0.01 120.40 126.33 3e8p s VAL 141 Ca -0.00 -1.01 0.03 0.00 0.00 0.00 0.00 61.98 61.00 3e8p s VAL 141 Cb -0.08 -1.65 -0.05 0.00 0.00 0.00 0.00 36.38 34.60 3e8p s VAL 141 CO 0.01 0.54 0.03 0.00 0.00 0.00 0.00 175.10 175.69 3e8p s ARG 143 N -3.91 2.19 0.00 0.00 0.52 -0.20 -1.26 118.95 116.29 3e8p s ARG 143 Ca 0.32 -2.26 0.00 0.00 -0.52 0.00 0.00 55.73 53.27 3e8p s ARG 143 Cb 0.07 -1.69 0.00 0.00 0.52 0.00 0.00 34.95 33.85 3e8p s ARG 143 CO 0.11 -0.37 0.00 -1.91 0.02 0.00 0.00 175.30 173.15 3e8p n GLU 145 N -1.34 0.00 -4.42 3.54 0.00 -0.22 -1.90 120.64 116.30 3e8p n GLU 145 Ca -0.13 0.00 -0.27 0.00 0.00 0.00 0.00 57.16 56.76 3e8p n GLU 145 Cb 0.66 0.00 -0.17 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 1.61 0.17 4.31 2.96 -0.38 -1.75 118.68 125.61 3e8p s LEU 146 Ca 0.00 -0.37 0.02 0.00 -0.22 0.00 0.00 54.13 53.56 3e8p s LEU 146 Cb 0.00 -0.96 -0.05 0.00 0.50 0.00 0.00 46.19 45.68 3e8p s LEU 146 CO 0.00 0.00 0.01 -1.38 -1.32 0.00 0.00 176.35 173.66 3e8p s HIS 147 N 0.99 1.20 0.64 5.38 -3.43 -0.58 0.67 115.29 120.15 3e8p s HIS 147 Ca -0.08 -1.03 0.06 0.00 -0.80 0.00 0.00 55.06 53.21 3e8p s HIS 147 Cb -0.15 -0.68 0.11 0.00 -1.43 0.00 0.00 32.58 30.43 3e8p s HIS 147 CO -0.01 -0.23 0.88 0.54 -2.00 0.00 0.00 174.74 173.92 3e8p s ASN 148 N -3.17 4.77 0.66 7.38 2.20 -0.82 -0.77 114.94 125.20 3e8p s ASN 148 Ca 0.24 -0.69 0.41 0.00 -0.94 0.00 0.00 52.86 51.89 3e8p s ASN 148 Cb 0.06 0.23 2.27 0.00 -2.00 0.00 0.00 41.25 41.81 3e8p s ASN 148 CO 0.04 -1.58 2.30 1.05 -2.94 0.00 0.00 177.10 175.97 3e8p h GLU 149 N -0.12 0.00 -0.01 3.55 9.09 -1.60 0.39 114.58 125.89 3e8p h GLU 149 Ca -0.32 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.09 3e8p h GLU 149 Cb 1.28 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.38 3e8p h GLU 149 CO 0.40 0.00 -0.01 1.04 0.05 0.00 0.00 179.01 180.49 3e8p n GLN 150 N -3.13 1.45 -0.50 1.06 6.02 -1.26 -4.91 117.38 116.11 3e8p n GLN 150 Ca -0.03 -0.69 0.00 0.00 -0.01 0.00 0.00 57.00 56.28 3e8p n GLN 150 Cb 0.12 -1.49 0.00 0.00 1.02 0.00 0.00 30.24 29.90 3e8p n GLN 150 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3e8p n GLY 151 N 1.14 1.15 3.68 1.08 0.00 0.14 -5.02 105.19 107.36 3e8p n GLY 151 Ca 0.20 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.80 3e8p n GLY 151 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3e8p s THR 152 N -3.17 3.51 -0.22 2.61 2.01 -1.26 -4.69 115.64 114.44 3e8p s THR 152 Ca 0.00 0.82 -0.29 0.00 0.31 0.00 0.00 61.69 62.53 3e8p s THR 152 Cb 0.00 -3.53 -0.03 0.00 0.01 0.00 0.00 72.50 68.96 3e8p s THR 152 CO 0.00 -0.03 1.61 -1.00 -0.69 0.00 0.00 174.62 174.51 3e8p s HIS 153 N 3.08 2.12 -0.08 4.92 3.76 -1.26 -1.94 115.29 125.88 3e8p s HIS 153 Ca 0.69 0.55 -0.13 0.00 -0.15 0.00 0.00 55.06 56.02 3e8p s HIS 153 Cb -0.34 -3.97 -0.28 0.00 1.11 0.00 0.00 32.58 29.09 3e8p s HIS 153 CO 0.28 -2.93 0.58 0.82 -0.85 0.00 0.00 174.74 172.65 3e8p h ILE 154 N 6.12 0.95 -2.75 0.60 1.08 -0.07 -3.37 117.51 120.07 3e8p h ILE 154 Ca -0.34 -2.44 -0.04 0.00 -0.39 0.00 0.00 64.86 61.66 3e8p h ILE 154 Cb 1.15 2.71 -0.14 0.00 -3.07 0.00 0.00 36.82 37.46 3e8p h ILE 154 CO 1.00 0.78 0.15 0.00 -0.69 0.00 0.00 178.15 179.40 3e8p s ALA 155 N -2.53 -1.54 0.22 1.87 0.00 -1.15 -1.20 121.76 117.44 3e8p s ALA 155 Ca -0.19 0.67 0.11 0.00 0.00 0.00 0.00 51.96 52.55 3e8p s ALA 155 Cb 0.05 0.57 -0.05 0.00 0.00 0.00 0.00 23.12 23.70 3e8p s ALA 155 CO 0.80 -0.62 -0.19 -0.06 0.00 0.00 0.00 175.76 175.69 3e8p s PHE 156 N -2.91 2.37 0.12 0.00 0.08 -0.25 -1.25 117.98 116.15 3e8p s PHE 156 Ca -0.03 -0.32 -0.07 0.00 0.12 0.00 0.00 56.93 56.63 3e8p s PHE 156 Cb -0.01 -1.12 -0.01 0.00 -0.57 0.00 0.00 43.02 41.32 3e8p s PHE 156 CO -0.05 0.58 0.19 0.20 -0.10 0.00 0.00 175.22 176.03 3e8p s GLY 157 N -3.01 0.39 -0.09 4.36 0.00 -1.26 -0.11 107.32 107.60 3e8p s GLY 157 Ca 0.25 -0.88 -0.04 0.00 0.00 0.00 0.00 44.72 44.05 3e8p s GLY 157 CO 0.13 -0.93 0.19 -1.59 0.00 0.00 0.00 173.10 170.89 3e8p s THR 158 N -3.93 -0.13 0.03 0.90 2.01 -0.09 -4.38 115.64 110.05 3e8p s THR 158 Ca 0.12 0.21 0.02 0.00 0.31 0.00 0.00 61.69 62.36 3e8p s THR 158 Cb 0.05 -0.32 -0.02 0.00 0.01 0.00 0.00 72.50 72.22 3e8p s THR 158 CO -0.05 0.09 -0.08 -0.83 -0.69 0.00 0.00 174.62 173.06 3e8p s GLY 159 N 1.54 0.47 -0.25 4.40 0.00 -0.39 -0.25 107.32 112.85 3e8p s GLY 159 Ca -0.06 -0.64 -0.06 0.00 0.00 0.00 0.00 44.72 43.96 3e8p s GLY 159 CO -0.07 -0.66 0.03 -1.59 0.00 0.00 0.00 173.10 170.81 3e8p s THR 160 N -1.03 3.93 0.00 0.90 2.01 -0.38 -0.91 115.64 120.16 3e8p s THR 160 Ca -0.06 -0.36 0.00 0.00 0.31 0.00 0.00 61.69 61.58 3e8p s THR 160 Cb -0.08 -2.85 0.00 0.00 0.01 0.00 0.00 72.50 69.58 3e8p s THR 160 CO 0.00 0.33 0.00 -1.22 -0.69 0.00 0.00 174.62 173.04 3e8p n TYR 161 N 4.87 0.00 0.00 4.92 4.01 0.99 -0.43 117.16 131.52 3e8p n TYR 161 Ca -0.17 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.57 3e8p n TYR 161 Cb 0.51 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.54 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 -1.82 -0.72 0.24 0.20 -1.17 118.33 115.06 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