#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3d77 s VAL 5 N 0.00 4.01 1.10 -1.67 1.01 -1.26 -4.87 120.40 118.72 3d77 s VAL 5 Ca 0.00 1.30 -0.12 0.00 0.00 0.00 0.00 61.98 63.16 3d77 s VAL 5 Cb 0.00 -3.84 0.23 0.00 0.00 0.00 0.00 36.38 32.77 3d77 s VAL 5 CO 0.00 -0.06 0.97 -0.81 0.00 0.00 0.00 175.10 175.21 3d77 n PRO 6 N 6.01 -1.81 0.25 2.72 -0.04 -1.26 -4.91 135.00 135.96 3d77 n PRO 6 Ca 0.13 -0.49 0.10 0.00 -0.04 0.00 0.00 63.50 63.20 3d77 n PRO 6 Cb 0.44 -2.19 0.66 0.00 -0.04 0.00 0.00 33.50 32.37 3d77 n PRO 6 CO 0.00 0.00 0.00 -1.35 -0.04 0.00 0.00 175.50 174.11 3d77 h PRO 7 N -2.41 0.00 0.00 0.54 0.11 -2.03 -3.25 132.00 124.95 3d77 h PRO 7 Ca -0.56 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.55 3d77 h PRO 7 Cb 1.32 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.43 3d77 h PRO 7 CO 0.46 0.13 0.00 1.05 -0.21 0.00 0.00 178.00 179.43 3d77 h GLU 8 N 0.00 0.00 -0.21 1.05 9.09 -2.02 -1.78 114.58 120.71 3d77 h GLU 8 Ca -0.00 0.00 -0.07 0.00 0.05 0.00 0.00 59.36 59.34 3d77 h GLU 8 Cb 0.28 0.00 -0.00 0.00 -1.65 0.00 0.00 28.75 27.38 3d77 h GLU 8 CO 0.02 0.00 -0.16 -0.39 0.05 0.00 0.00 179.01 178.53 3d77 h VAL 9 N 0.00 1.32 -0.02 -1.06 -1.51 -1.94 -3.33 116.25 109.71 3d77 h VAL 9 Ca 0.00 -1.28 -0.05 0.00 -1.23 0.00 0.00 66.70 64.14 3d77 h VAL 9 Cb 0.75 1.69 -0.01 0.00 -2.13 0.00 0.00 31.29 31.59 3d77 h VAL 9 CO 0.00 0.39 -0.23 -0.26 -1.23 0.00 0.00 177.57 176.24 3d77 h PHE 10 N 0.17 0.03 0.00 5.19 -1.00 -1.49 -0.34 116.94 119.49 3d77 h PHE 10 Ca 0.04 -0.00 -0.17 0.00 2.81 0.00 0.00 57.97 60.64 3d77 h PHE 10 Cb 0.68 -0.01 -0.03 0.00 3.61 0.00 0.00 35.95 40.20 3d77 h PHE 10 CO 0.07 0.26 -1.44 -3.47 -1.61 0.00 0.00 178.31 172.12 3d77 n ASP 11 N -4.26 0.85 0.04 2.17 2.03 -1.25 -2.51 116.55 113.62 3d77 n ASP 11 Ca -0.02 0.37 0.06 0.00 0.52 0.00 0.00 54.79 55.72 3d77 n ASP 11 Cb 0.29 0.17 0.48 0.00 -0.72 0.00 0.00 41.12 41.34 3d77 n ASP 11 CO 0.00 0.00 0.00 -0.07 -1.92 0.00 0.00 177.20 175.21 3d77 h LEU 12 N 0.00 0.36 -0.46 -2.67 3.38 -1.36 -3.27 115.31 111.28 3d77 h LEU 12 Ca -0.17 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.79 3d77 h LEU 12 Cb 1.60 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 42.26 3d77 h LEU 12 CO 0.05 0.26 -0.74 0.55 0.09 0.00 0.00 178.44 178.64 3d77 n VAL 13 N -4.49 0.00 -0.20 1.22 3.14 -0.25 -4.58 118.33 113.17 3d77 n VAL 13 Ca 0.03 -0.13 -0.02 0.00 -2.96 0.00 0.00 64.34 61.26 3d77 n VAL 13 Cb 0.11 1.12 0.09 0.00 -1.06 0.00 0.00 33.84 34.10 3d77 n VAL 13 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 3d77 h ALA 14 N 3.34 0.79 -0.38 1.55 0.00 -1.54 0.29 119.26 123.30 3d77 h ALA 14 Ca 0.00 0.05 -0.04 0.00 0.00 0.00 0.00 54.91 54.91 3d77 h ALA 14 Cb 0.61 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.35 3d77 h ALA 14 CO 0.00 -0.09 0.06 1.49 0.00 0.00 0.00 179.25 180.71 3d77 h GLU 15 N 0.52 0.63 -0.30 0.00 4.81 -1.84 -1.12 114.58 117.27 3d77 h GLU 15 Ca 0.28 -0.17 -0.14 0.00 -0.13 0.00 0.00 59.36 59.21 3d77 h GLU 15 Cb 0.26 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.56 3d77 h GLU 15 CO -0.23 0.68 -0.38 -0.44 -0.73 0.00 0.00 179.01 177.91 3d77 h ASP 16 N 0.47 0.75 -0.23 1.04 3.32 -1.65 -1.32 116.42 118.82 3d77 h ASP 16 Ca 0.12 -0.33 0.02 0.00 0.02 0.00 0.00 57.03 56.85 3d77 h ASP 16 Cb 0.36 -0.21 -0.02 0.00 0.22 0.00 0.00 39.33 39.68 3d77 h ASP 16 CO 0.01 1.05 0.11 0.50 -1.72 0.00 0.00 179.24 179.18 3d77 h LYS 17 N 0.59 0.22 -0.47 3.56 3.64 -0.26 0.75 116.57 124.59 3d77 h LYS 17 Ca 0.05 -0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.40 3d77 h LYS 17 Cb 0.92 -0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 32.67 3d77 h LYS 17 CO 0.08 0.15 0.24 0.00 -2.27 0.00 0.00 179.45 177.65 3d77 h ALA 18 N 1.12 0.61 -0.03 5.00 0.00 -1.01 -0.15 119.26 124.80 3d77 h ALA 18 Ca 0.09 -0.11 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 3d77 h ALA 18 Cb 0.03 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 17.63 3d77 h ALA 18 CO -0.07 0.16 0.02 -0.09 0.00 0.00 0.00 179.25 179.26 3d77 h ARG 19 N 0.62 0.04 -0.74 0.00 2.43 -1.03 -1.83 114.38 113.88 3d77 h ARG 19 Ca 0.16 -0.00 -0.04 0.00 -0.81 0.00 0.00 59.98 59.29 3d77 h ARG 19 Cb 0.09 -0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 29.60 3d77 h ARG 19 CO -0.02 0.09 0.30 0.00 -1.51 0.00 0.00 179.97 178.82 3d77 h MET 21 N 1.06 0.79 -0.48 0.00 2.86 -0.96 -2.79 114.93 115.41 3d77 h MET 21 Ca 0.25 -0.05 -0.08 0.00 -2.06 0.00 0.00 59.70 57.76 3d77 h MET 21 Cb 0.21 -0.18 -0.02 0.00 0.06 0.00 0.00 31.60 31.67 3d77 h MET 21 CO -0.02 0.52 0.00 0.77 1.06 0.00 0.00 176.91 179.24 3d77 h SER 22 N 0.81 0.82 -0.50 1.22 0.02 -0.87 -1.61 113.55 113.44 3d77 h SER 22 Ca 0.24 -0.31 -0.01 0.00 -0.84 0.00 0.00 61.79 60.87 3d77 h SER 22 Cb -0.05 -0.22 -0.03 0.00 0.14 0.00 0.00 62.40 62.25 3d77 h SER 22 CO -0.07 0.93 0.28 -0.33 -1.14 0.00 0.00 176.83 176.49 3d77 h GLU 23 N 0.70 0.73 -0.01 3.45 5.08 -0.86 -3.26 114.58 120.40 3d77 h GLU 23 Ca 0.14 -0.08 0.00 0.00 -1.00 0.00 0.00 59.36 58.42 3d77 h GLU 23 Cb 0.51 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 29.61 3d77 h GLU 23 CO 0.02 0.55 -0.22 0.72 -1.00 0.00 0.00 179.01 179.09 3d77 n HIS 24 N -4.39 0.00 -1.14 4.33 8.25 -1.06 -5.00 115.22 116.21 3d77 n HIS 24 Ca 0.05 0.00 -0.02 0.00 -0.26 0.00 0.00 57.72 57.49 3d77 n HIS 24 Cb 0.11 0.00 -0.01 0.00 1.12 0.00 0.00 29.99 31.21 3d77 n HIS 24 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3d77 n GLY 25 N 0.91 0.48 3.74 -1.41 0.00 -0.64 -4.21 105.19 104.06 3d77 n GLY 25 Ca 0.04 -1.00 -0.41 0.00 0.00 0.00 0.00 46.02 44.66 3d77 n GLY 25 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3d77 s THR 26 N -2.06 3.87 0.17 2.61 2.01 -1.00 -4.94 115.64 116.31 3d77 s THR 26 Ca 0.00 1.68 0.04 0.00 0.31 0.00 0.00 61.69 63.72 3d77 s THR 26 Cb 0.00 -4.07 -0.04 0.00 0.01 0.00 0.00 72.50 68.40 3d77 s THR 26 CO 0.00 0.32 0.22 0.42 -0.69 0.00 0.00 174.62 174.89 3d77 s THR 27 N -0.48 4.94 0.42 -0.82 -4.23 -1.26 -4.79 115.64 109.43 3d77 s THR 27 Ca 0.47 -0.90 0.09 0.00 -1.18 0.00 0.00 61.69 60.17 3d77 s THR 27 Cb -0.29 -3.55 0.25 0.00 1.34 0.00 0.00 72.50 70.25 3d77 s THR 27 CO 0.35 -0.13 2.05 -0.61 -0.54 0.00 0.00 174.62 175.75 3d77 h GLN 28 N 2.16 0.41 -0.89 3.99 5.75 -2.00 -2.01 115.11 122.52 3d77 h GLN 28 Ca -0.48 -0.03 0.02 0.00 -0.15 0.00 0.00 58.65 58.00 3d77 h GLN 28 Cb 1.20 -0.09 -0.05 0.00 1.07 0.00 0.00 27.48 29.62 3d77 h GLN 28 CO 0.66 0.30 0.59 0.00 -2.65 0.00 0.00 178.83 177.73 3d77 h ALA 29 N 1.77 1.39 -0.66 3.38 0.00 -1.99 0.20 119.26 123.34 3d77 h ALA 29 Ca 0.11 -0.06 -0.06 0.00 0.00 0.00 0.00 54.91 54.90 3d77 h ALA 29 Cb 0.01 -0.35 -0.03 0.00 0.00 0.00 0.00 17.79 17.43 3d77 h ALA 29 CO -0.02 0.56 0.17 1.96 0.00 0.00 0.00 179.25 181.92 3d77 h GLN 30 N 1.18 1.04 -0.26 0.00 4.20 -1.77 -0.99 115.11 118.51 3d77 h GLN 30 Ca 0.33 -0.23 -0.02 0.00 0.06 0.00 0.00 58.65 58.79 3d77 h GLN 30 Cb -0.10 -0.15 -0.01 0.00 0.30 0.00 0.00 27.48 27.52 3d77 h GLN 30 CO -0.08 0.91 0.09 0.82 -0.67 0.00 0.00 178.83 179.90 3d77 h ILE 31 N 0.99 1.19 -0.95 2.54 2.04 -1.14 -2.16 117.51 120.02 3d77 h ILE 31 Ca 0.21 -0.58 0.08 0.00 1.00 0.00 0.00 64.86 65.57 3d77 h ILE 31 Cb 0.34 1.09 -0.07 0.00 -0.74 0.00 0.00 36.82 37.44 3d77 h ILE 31 CO -0.00 0.19 0.60 0.44 0.00 0.00 0.00 178.15 179.38 3d77 h ASP 32 N 0.25 0.92 -0.51 1.72 3.32 -0.77 -1.73 116.42 119.64 3d77 h ASP 32 Ca 0.08 0.02 -0.03 0.00 0.02 0.00 0.00 57.03 57.12 3d77 h ASP 32 Cb 0.21 -0.17 -0.02 0.00 0.22 0.00 0.00 39.33 39.57 3d77 h ASP 32 CO -0.00 0.56 0.18 0.44 -1.72 0.00 0.00 179.24 178.70 3d77 h ASP 33 N 1.05 0.71 -0.68 6.45 5.19 -0.87 -1.85 116.42 126.42 3d77 h ASP 33 Ca 0.43 -0.19 -0.03 0.00 -0.62 0.00 0.00 57.03 56.62 3d77 h ASP 33 Cb 0.25 -0.19 -0.03 0.00 0.18 0.00 0.00 39.33 39.55 3d77 h ASP 33 CO -0.20 0.71 0.31 0.58 -3.12 0.00 0.00 179.24 177.52 3d77 h VAL 34 N 0.68 1.23 0.00 -1.35 2.07 -0.73 0.24 116.25 118.39 3d77 h VAL 34 Ca 0.17 -0.69 0.00 0.00 0.82 0.00 0.00 66.70 67.00 3d77 h VAL 34 Cb 0.23 0.42 0.00 0.00 -1.52 0.00 0.00 31.29 30.42 3d77 h VAL 34 CO -0.01 0.28 0.00 0.78 0.02 0.00 0.00 177.57 178.64 3d77 h ASN 35 N 0.96 0.00 -0.06 0.57 2.35 -0.93 0.00 115.58 118.47 3d77 h ASN 35 Ca 0.23 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.98 3d77 h ASN 35 Cb 0.15 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.52 3d77 h ASN 35 CO -0.03 0.00 0.00 0.29 -1.65 0.00 0.00 177.43 176.04 3d77 n LYS 36 N -2.91 1.78 -0.53 0.81 5.02 -0.73 -4.94 118.16 116.66 3d77 n LYS 36 Ca -0.00 -1.14 0.00 0.00 -2.02 0.00 0.00 58.31 55.15 3d77 n LYS 36 Cb 0.20 -1.46 0.00 0.00 -0.02 0.00 0.00 35.03 33.75 3d77 n LYS 36 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3d77 n GLY 37 N 1.20 0.70 3.28 0.72 0.00 -0.01 -5.05 105.19 106.02 3d77 n GLY 37 Ca 0.18 -0.33 -0.38 0.00 0.00 0.00 0.00 46.02 45.49 3d77 n GLY 37 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3d77 s ASN 38 N -2.30 5.38 -0.03 1.61 0.02 0.02 -4.99 114.94 114.65 3d77 s ASN 38 Ca 0.00 -1.18 0.01 0.00 -1.02 0.00 0.00 52.86 50.66 3d77 s ASN 38 Cb 0.00 -1.89 0.02 0.00 0.02 0.00 0.00 41.25 39.40 3d77 s ASN 38 CO 0.00 -0.35 -0.01 -0.22 0.02 0.00 0.00 177.10 176.54 3d77 s LEU 39 N 1.41 1.30 0.36 0.60 2.96 -1.26 -2.88 118.68 121.17 3d77 s LEU 39 Ca -0.01 -0.04 0.09 0.00 -0.22 0.00 0.00 54.13 53.95 3d77 s LEU 39 Cb -0.20 -0.24 -0.07 0.00 0.50 0.00 0.00 46.19 46.18 3d77 s LEU 39 CO 0.03 -0.07 -0.05 0.68 -1.32 0.00 0.00 176.35 175.61 3d77 s VAL 40 N 0.85 2.27 -1.46 1.68 -7.23 -1.26 -5.03 120.40 110.22 3d77 s VAL 40 Ca -0.09 -2.12 -0.09 0.00 -1.81 0.00 0.00 61.98 57.87 3d77 s VAL 40 Cb -0.12 -2.74 0.03 0.00 0.56 0.00 0.00 36.38 34.11 3d77 s VAL 40 CO -0.01 -0.16 2.50 -3.20 -0.31 0.00 0.00 175.10 173.92 3d77 n ASN 41 N -0.86 7.04 -4.38 4.85 5.15 -1.26 -4.75 115.26 121.06 3d77 n ASN 41 Ca -0.05 -2.86 -0.36 0.00 -0.60 0.00 0.00 54.58 50.71 3d77 n ASN 41 Cb 0.64 -1.51 -0.13 0.00 -0.53 0.00 0.00 39.78 38.25 3d77 n ASN 41 CO 0.00 0.00 0.00 -1.61 1.40 0.00 0.00 177.26 177.05 3d77 s GLU 42 N 1.21 3.39 0.46 1.20 0.41 -1.26 -5.00 118.70 119.11 3d77 s GLU 42 Ca 0.56 -0.65 0.24 0.00 -0.41 0.00 0.00 54.97 54.72 3d77 s GLU 42 Cb 0.16 -3.26 1.26 0.00 -1.78 0.00 0.00 34.13 30.51 3d77 s GLU 42 CO -0.07 -0.28 1.83 -1.00 -0.49 0.00 0.00 175.26 175.26 3d77 h PRO 43 N 8.20 0.24 0.00 0.39 0.13 -1.96 -0.37 132.00 138.64 3d77 h PRO 43 Ca -0.37 -0.01 -0.01 0.00 -0.87 0.00 0.00 66.00 64.74 3d77 h PRO 43 Cb 1.15 -0.05 -0.00 0.00 0.13 0.00 0.00 31.00 32.23 3d77 h PRO 43 CO 0.59 0.16 -0.04 0.66 -0.23 0.00 0.00 178.00 179.13 3d77 h SER 44 N 0.24 0.00 0.00 1.44 4.64 -1.93 0.11 113.55 118.06 3d77 h SER 44 Ca 0.51 0.00 -0.36 0.00 -0.47 0.00 0.00 61.79 61.46 3d77 h SER 44 Cb 1.56 0.00 -0.07 0.00 -0.31 0.00 0.00 62.40 63.58 3d77 h SER 44 CO -0.15 0.04 -2.38 0.00 -0.87 0.00 0.00 176.83 173.48 3d77 n ILE 45 N -4.05 1.39 -0.14 0.95 0.13 -0.34 -3.97 119.36 113.33 3d77 n ILE 45 Ca -0.03 -0.57 -0.11 0.00 -1.10 0.00 0.00 62.75 60.94 3d77 n ILE 45 Cb 0.13 -1.27 -0.01 0.00 -0.84 0.00 0.00 39.64 37.65 3d77 n ILE 45 CO 0.00 0.00 0.00 0.71 2.80 0.00 0.00 176.55 180.06 3d77 h THR 46 N 0.00 1.28 0.00 9.51 1.35 -1.02 -2.06 112.91 121.96 3d77 h THR 46 Ca -0.54 -1.24 -0.06 0.00 -0.55 0.00 0.00 66.41 64.02 3d77 h THR 46 Cb 1.88 1.21 -0.01 0.00 -1.73 0.00 0.00 68.15 69.51 3d77 h THR 46 CO -0.07 0.42 -0.29 0.00 -0.25 0.00 0.00 175.52 175.33 3d77 h TYR 48 N 0.00 0.34 -0.48 0.00 3.20 -1.61 0.54 116.97 118.96 3d77 h TYR 48 Ca -0.00 -0.02 -0.01 0.00 3.14 0.00 0.00 58.73 61.83 3d77 h TYR 48 Cb 0.59 -0.10 -0.02 0.00 1.54 0.00 0.00 36.73 38.73 3d77 h TYR 48 CO 0.00 0.36 0.26 0.52 -1.64 0.00 0.00 178.16 177.67 3d77 h MET 49 N 0.22 0.67 -0.47 1.82 2.86 -1.16 -0.86 114.93 118.01 3d77 h MET 49 Ca 0.08 -0.08 0.01 0.00 -2.06 0.00 0.00 59.70 57.65 3d77 h MET 49 Cb 0.16 -0.13 -0.03 0.00 0.06 0.00 0.00 31.60 31.66 3d77 h MET 49 CO -0.01 0.52 0.30 -0.92 1.06 0.00 0.00 176.91 177.87 3d77 h TYR 50 N 0.64 0.57 -0.55 -0.22 3.20 -1.37 -1.68 116.97 117.56 3d77 h TYR 50 Ca 0.17 0.01 0.09 0.00 3.14 0.00 0.00 58.73 62.14 3d77 h TYR 50 Cb 0.05 -0.19 -0.07 0.00 1.54 0.00 0.00 36.73 38.06 3d77 h TYR 50 CO -0.02 0.35 0.17 0.00 -1.64 0.00 0.00 178.16 177.02 3d77 h LEU 52 N 0.33 0.44 -0.77 0.00 3.38 -1.03 -1.22 115.31 116.45 3d77 h LEU 52 Ca 0.27 -0.33 0.03 0.00 0.09 0.00 0.00 57.88 57.94 3d77 h LEU 52 Cb 0.34 -0.12 -0.05 0.00 0.09 0.00 0.00 40.66 40.92 3d77 h LEU 52 CO -0.30 0.67 0.49 -0.07 0.09 0.00 0.00 178.44 179.31 3d77 h LEU 53 N 0.20 0.80 -0.64 1.67 3.38 -1.06 -1.89 115.31 117.78 3d77 h LEU 53 Ca 0.07 -0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.96 3d77 h LEU 53 Cb 0.45 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 41.00 3d77 h LEU 53 CO 0.02 0.55 0.09 -0.08 0.09 0.00 0.00 178.44 179.11 3d77 h GLU 54 N 0.95 1.07 -0.37 1.13 4.22 -0.87 -0.54 114.58 120.16 3d77 h GLU 54 Ca 0.31 -0.30 0.01 0.00 0.08 0.00 0.00 59.36 59.47 3d77 h GLU 54 Cb 0.02 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.13 3d77 h GLU 54 CO -0.12 1.00 0.25 0.00 -2.18 0.00 0.00 179.01 177.96 3d77 h ALA 55 N 1.03 1.77 -0.42 2.92 0.00 -0.61 -1.56 119.26 122.38 3d77 h ALA 55 Ca 0.19 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.08 3d77 h ALA 55 Cb 0.46 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.11 3d77 h ALA 55 CO 0.02 0.21 0.00 1.19 0.00 0.00 0.00 179.25 180.66 3d77 n PHE 56 N -4.48 0.55 -2.69 0.00 3.72 -0.77 -4.94 117.46 108.86 3d77 n PHE 56 Ca 0.03 -0.28 -0.21 0.00 -0.05 0.00 0.00 57.45 56.94 3d77 n PHE 56 Cb 0.09 0.00 0.01 0.00 -0.94 0.00 0.00 39.48 38.64 3d77 n PHE 56 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 3d77 n SER 57 N 0.78 -6.01 0.01 4.37 7.64 -0.59 -4.90 113.62 114.93 3d77 n SER 57 Ca 0.15 -0.14 0.11 0.00 1.01 0.00 0.00 58.87 60.00 3d77 n SER 57 Cb 0.38 -4.92 -0.04 0.00 -1.01 0.00 0.00 64.21 58.62 3d77 n SER 57 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 3d77 n LEU 58 N -3.46 0.67 -4.08 -3.43 4.77 -0.25 -4.82 117.00 106.39 3d77 n LEU 58 Ca -0.18 -0.21 -0.10 0.00 -0.03 0.00 0.00 56.01 55.48 3d77 n LEU 58 Cb 0.66 -0.06 -0.11 0.00 -2.33 0.00 0.00 43.42 41.58 3d77 n LEU 58 CO 0.37 0.13 -0.38 0.68 -1.33 0.00 0.00 177.39 176.86 3d77 s VAL 59 N -3.14 0.43 0.19 4.08 -7.23 -1.24 -0.83 120.40 112.66 3d77 s VAL 59 Ca 0.04 -1.44 0.03 0.00 -1.81 0.00 0.00 61.98 58.80 3d77 s VAL 59 Cb 0.15 -1.04 0.03 0.00 0.56 0.00 0.00 36.38 36.09 3d77 s VAL 59 CO 0.84 -0.68 0.25 -0.90 -0.31 0.00 0.00 175.10 174.30 3d77 n ASP 60 N 0.78 0.74 0.16 4.85 5.68 -1.01 -4.64 116.55 123.11 3d77 n ASP 60 Ca -0.18 -1.51 0.11 0.00 -0.50 0.00 0.00 54.79 52.70 3d77 n ASP 60 Cb 0.58 -0.13 0.56 0.00 -1.14 0.00 0.00 41.12 40.99 3d77 n ASP 60 CO 0.00 0.00 0.00 -0.90 -1.33 0.00 0.00 177.20 174.97 3d77 n ASP 61 N -2.73 0.54 -0.94 -1.12 5.75 -1.26 -1.35 116.55 115.43 3d77 n ASP 61 Ca 0.05 0.74 -0.01 0.00 -0.01 0.00 0.00 54.79 55.56 3d77 n ASP 61 Cb 0.20 -0.80 0.17 0.00 -1.03 0.00 0.00 41.12 39.66 3d77 n ASP 61 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 3d77 n GLU 62 N -2.23 2.01 -2.60 0.11 1.02 -1.26 -4.96 120.64 112.72 3d77 n GLU 62 Ca -0.01 -3.46 -0.21 0.00 -0.02 0.00 0.00 57.16 53.46 3d77 n GLU 62 Cb 0.07 -1.77 0.00 0.00 -0.02 0.00 0.00 31.44 29.72 3d77 n GLU 62 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3d77 n ALA 63 N -1.04 -0.74 -2.62 0.62 0.00 -0.46 -4.89 120.51 111.38 3d77 n ALA 63 Ca 0.26 0.20 -0.42 0.00 0.00 0.00 0.00 53.44 53.47 3d77 n ALA 63 Cb 0.78 -2.64 -0.03 0.00 0.00 0.00 0.00 19.45 17.56 3d77 n ALA 63 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 3d77 s ASN 64 N -2.24 7.25 -0.04 0.00 0.01 -1.26 -4.70 114.94 113.95 3d77 s ASN 64 Ca 0.09 1.72 -0.25 0.00 -0.71 0.00 0.00 52.86 53.72 3d77 s ASN 64 Cb -0.04 -2.57 -0.04 0.00 0.41 0.00 0.00 41.25 39.01 3d77 s ASN 64 CO 0.12 -0.38 0.75 -0.69 -1.51 0.00 0.00 177.10 175.39 3d77 s VAL 65 N 1.37 4.97 -0.89 1.60 1.01 -1.26 -2.40 120.40 124.79 3d77 s VAL 65 Ca 0.53 1.56 -0.23 0.00 0.00 0.00 0.00 61.98 63.84 3d77 s VAL 65 Cb -0.22 -4.09 0.06 0.00 0.00 0.00 0.00 36.38 32.13 3d77 s VAL 65 CO 0.25 0.26 1.29 -0.62 0.00 0.00 0.00 175.10 176.28 3d77 s ASP 66 N 0.70 6.40 0.22 3.32 -1.08 -0.01 -4.89 116.67 121.32 3d77 s ASP 66 Ca 0.40 -1.28 -0.04 0.00 -0.52 0.00 0.00 52.55 51.12 3d77 s ASP 66 Cb -0.19 -2.52 0.20 0.00 -1.46 0.00 0.00 42.92 38.95 3d77 s ASP 66 CO 0.20 -1.49 1.62 -0.08 0.52 0.00 0.00 175.17 175.94 3d77 h GLU 67 N 9.64 0.71 -0.21 4.34 4.81 -1.95 -1.40 114.58 130.53 3d77 h GLU 67 Ca 0.02 -0.31 -0.02 0.00 -0.13 0.00 0.00 59.36 58.92 3d77 h GLU 67 Cb 1.03 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 30.38 3d77 h GLU 67 CO 1.30 0.91 0.06 -0.44 -0.73 0.00 0.00 179.01 180.11 3d77 h ASP 68 N 0.61 0.31 -0.95 1.04 3.32 -1.99 0.14 116.42 118.91 3d77 h ASP 68 Ca 0.08 -0.22 0.00 0.00 0.02 0.00 0.00 57.03 56.91 3d77 h ASP 68 Cb 0.78 -0.08 -0.05 0.00 0.22 0.00 0.00 39.33 40.21 3d77 h ASP 68 CO 0.06 0.45 0.60 0.40 -1.72 0.00 0.00 179.24 179.03 3d77 h ILE 69 N 0.16 1.25 -0.16 0.35 2.04 -1.91 -1.31 117.51 117.94 3d77 h ILE 69 Ca 0.07 -0.52 -0.00 0.00 1.00 0.00 0.00 64.86 65.41 3d77 h ILE 69 Cb 0.25 -0.11 -0.01 0.00 -0.74 0.00 0.00 36.82 36.21 3d77 h ILE 69 CO -0.00 0.26 0.08 -0.03 0.00 0.00 0.00 178.15 178.46 3d77 h MET 70 N 1.30 0.23 -0.74 2.37 4.05 -0.97 -3.03 114.93 118.15 3d77 h MET 70 Ca 0.34 -0.03 0.00 0.00 -0.28 0.00 0.00 59.70 59.74 3d77 h MET 70 Cb -0.10 -0.04 -0.04 0.00 -0.80 0.00 0.00 31.60 30.62 3d77 h MET 70 CO -0.07 0.26 0.48 -0.07 0.23 0.00 0.00 176.91 177.73 3d77 h LEU 71 N 0.15 0.87 -1.01 3.39 3.38 -0.40 -2.60 115.31 119.09 3d77 h LEU 71 Ca 0.06 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.99 3d77 h LEU 71 Cb 0.10 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 40.63 3d77 h LEU 71 CO -0.01 0.64 0.00 0.61 0.09 0.00 0.00 178.44 179.78 3d77 n GLY 72 N -1.26 -0.88 0.57 0.83 0.00 -0.52 -1.47 105.19 102.46 3d77 n GLY 72 Ca 0.07 0.14 0.13 0.00 0.00 0.00 0.00 46.02 46.35 3d77 n GLY 72 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3d77 n LEU 73 N -2.10 1.91 -4.92 0.99 4.77 -0.98 -4.96 117.00 111.72 3d77 n LEU 73 Ca -0.00 -0.64 -0.31 0.00 -0.03 0.00 0.00 56.01 55.03 3d77 n LEU 73 Cb 0.07 -0.03 -0.04 0.00 -2.33 0.00 0.00 43.42 41.09 3d77 n LEU 73 CO 0.10 0.33 -0.08 -0.76 -1.33 0.00 0.00 177.39 175.65 3d77 s LEU 74 N -2.19 4.32 0.73 2.23 1.02 -0.54 -5.03 118.68 119.23 3d77 s LEU 74 Ca 0.29 0.37 -0.14 0.00 0.02 0.00 0.00 54.13 54.67 3d77 s LEU 74 Cb 0.20 -3.08 0.04 0.00 0.02 0.00 0.00 46.19 43.37 3d77 s LEU 74 CO 0.41 0.11 1.16 -2.16 0.02 0.00 0.00 176.35 175.88 3d77 s PRO 75 N -2.66 2.26 0.27 1.29 0.04 -1.26 -4.84 135.00 130.10 3d77 s PRO 75 Ca 0.37 1.56 0.00 0.00 0.04 0.00 0.00 61.00 62.97 3d77 s PRO 75 Cb -0.12 -1.87 0.56 0.00 0.04 0.00 0.00 34.50 33.10 3d77 s PRO 75 CO 0.27 -1.70 1.79 0.22 0.04 0.00 0.00 177.00 177.62 3d77 h ASP 76 N -0.42 0.70 0.26 6.66 3.58 -1.98 -0.47 116.42 124.75 3d77 h ASP 76 Ca -0.46 0.08 0.00 0.00 0.42 0.00 0.00 57.03 57.06 3d77 h ASP 76 Cb 1.27 -0.05 0.00 0.00 1.72 0.00 0.00 39.33 42.27 3d77 h ASP 76 CO 0.50 0.32 0.00 1.67 -2.88 0.00 0.00 179.24 178.86 3d77 n GLN 77 N -4.77 0.72 -0.01 0.28 0.00 -1.26 -2.99 117.38 109.34 3d77 n GLN 77 Ca 0.18 0.00 0.11 0.00 -0.00 0.00 0.00 57.00 57.29 3d77 n GLN 77 Cb 0.42 -1.50 -0.16 0.00 0.00 0.00 0.00 30.24 29.00 3d77 n GLN 77 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.06 176.95 3d77 n LEU 78 N -1.13 0.12 -0.17 1.69 0.00 -0.21 -4.71 117.00 112.59 3d77 n LEU 78 Ca 0.19 -0.05 -0.04 0.00 0.00 0.00 0.00 56.01 56.11 3d77 n LEU 78 Cb 0.17 -0.00 0.15 0.00 0.00 0.00 0.00 43.42 43.73 3d77 n LEU 78 CO 0.20 0.02 0.97 1.56 0.00 0.00 0.00 177.39 180.15 3d77 h GLN 79 N 0.00 0.93 -0.23 1.96 4.20 -1.40 0.11 115.11 120.67 3d77 h GLN 79 Ca 0.00 -0.20 -0.02 0.00 0.06 0.00 0.00 58.65 58.49 3d77 h GLN 79 Cb 0.95 -0.14 -0.01 0.00 0.30 0.00 0.00 27.48 28.58 3d77 h GLN 79 CO 0.00 0.83 0.08 0.93 -0.67 0.00 0.00 178.83 179.99 3d77 h GLU 80 N 0.89 0.35 -0.45 1.46 5.08 -1.84 0.20 114.58 120.27 3d77 h GLU 80 Ca 0.19 -0.07 -0.09 0.00 -1.00 0.00 0.00 59.36 58.39 3d77 h GLU 80 Cb 0.31 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.49 3d77 h GLU 80 CO -0.00 0.43 -0.10 -0.09 -1.00 0.00 0.00 179.01 178.25 3d77 h ARG 81 N 0.20 0.81 -0.21 2.33 2.43 -1.83 -0.21 114.38 117.90 3d77 h ARG 81 Ca 0.07 -0.27 -0.04 0.00 -0.81 0.00 0.00 59.98 58.93 3d77 h ARG 81 Cb 0.22 -0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 29.70 3d77 h ARG 81 CO -0.00 0.88 -0.04 0.00 -1.51 0.00 0.00 179.97 179.30 3d77 h ALA 82 N 1.15 0.29 -0.94 2.80 0.00 -0.81 -1.16 119.26 120.59 3d77 h ALA 82 Ca 0.13 -0.24 0.04 0.00 0.00 0.00 0.00 54.91 54.84 3d77 h ALA 82 Cb 0.59 -0.07 -0.06 0.00 0.00 0.00 0.00 17.79 18.24 3d77 h ALA 82 CO 0.04 0.05 0.60 0.37 0.00 0.00 0.00 179.25 180.32 3d77 h GLN 83 N 0.13 1.12 0.15 0.00 4.15 -0.38 -0.55 115.11 119.72 3d77 h GLN 83 Ca 0.05 -0.07 -0.01 0.00 0.77 0.00 0.00 58.65 59.40 3d77 h GLN 83 Cb 0.48 -0.25 0.00 0.00 0.21 0.00 0.00 27.48 27.92 3d77 h GLN 83 CO 0.02 0.74 -0.07 1.03 -1.93 0.00 0.00 178.83 178.62 3d77 h SER 84 N 1.15 -0.17 -0.23 -0.69 0.87 -0.84 -1.46 113.55 112.18 3d77 h SER 84 Ca 0.38 -0.04 -0.08 0.00 -1.23 0.00 0.00 61.79 60.83 3d77 h SER 84 Cb 0.06 0.04 -0.02 0.00 -0.44 0.00 0.00 62.40 62.04 3d77 h SER 84 CO -0.14 -0.07 -0.12 1.62 -0.53 0.00 0.00 176.83 177.59 3d77 h VAL 85 N -0.25 1.25 0.00 2.23 3.04 -1.00 -2.30 116.25 119.22 3d77 h VAL 85 Ca -0.02 -1.10 -0.06 0.00 -1.01 0.00 0.00 66.70 64.51 3d77 h VAL 85 Cb 0.19 1.10 -0.01 0.00 -2.01 0.00 0.00 31.29 30.57 3d77 h VAL 85 CO 0.03 0.37 -0.27 0.24 -1.01 0.00 0.00 177.57 176.93 3d77 h MET 86 N 0.58 0.00 -0.08 4.17 2.07 -0.98 0.12 114.93 120.80 3d77 h MET 86 Ca 0.10 0.00 -0.07 0.00 -2.07 0.00 0.00 59.70 57.66 3d77 h MET 86 Cb 0.54 0.00 -0.01 0.00 -1.87 0.00 0.00 31.60 30.26 3d77 h MET 86 CO 0.03 0.27 -0.26 0.78 1.07 0.00 0.00 176.91 178.80 3d77 h GLY 87 N 1.45 0.15 0.93 8.32 0.00 -0.68 -2.03 103.07 111.21 3d77 h GLY 87 Ca -0.00 -0.11 -0.27 0.00 0.00 0.00 0.00 47.33 46.95 3d77 h GLY 87 CO 0.04 0.10 -1.20 1.70 0.00 0.00 0.00 176.54 177.18 3d77 h LYS 88 N 0.13 0.41 -0.01 4.80 3.64 -1.17 -3.40 116.57 120.97 3d77 h LYS 88 Ca 0.02 -0.70 0.00 0.00 -1.27 0.00 0.00 60.65 58.70 3d77 h LYS 88 Cb 0.54 0.26 0.00 0.00 -0.41 0.00 0.00 32.23 32.62 3d77 h LYS 88 CO 0.04 1.33 -0.62 0.00 -2.27 0.00 0.00 179.45 177.93 3d77 s LEU 90 N -2.72 3.43 0.74 0.00 1.43 -0.77 -4.36 118.68 116.42 3d77 s LEU 90 Ca 0.15 -0.31 -0.11 0.00 -1.03 0.00 0.00 54.13 52.83 3d77 s LEU 90 Cb 0.18 -2.09 0.04 0.00 0.03 0.00 0.00 46.19 44.34 3d77 s LEU 90 CO 0.68 0.10 1.08 -2.16 0.23 0.00 0.00 176.35 176.27 3d77 s PRO 91 N -2.89 2.56 0.58 1.29 0.04 -1.26 -4.85 135.00 130.46 3d77 s PRO 91 Ca 0.28 0.99 -0.17 0.00 0.04 0.00 0.00 61.00 62.13 3d77 s PRO 91 Cb -0.10 -1.94 -0.04 0.00 0.04 0.00 0.00 34.50 32.46 3d77 s PRO 91 CO 0.19 -1.38 1.09 0.95 0.04 0.00 0.00 177.00 177.89 3d77 s THR 92 N -3.00 3.47 0.11 1.26 -4.23 -1.26 -5.07 115.64 106.92 3d77 s THR 92 Ca 0.60 0.79 -0.14 0.00 -1.18 0.00 0.00 61.69 61.76 3d77 s THR 92 Cb -0.15 -3.29 0.02 0.00 1.34 0.00 0.00 72.50 70.42 3d77 s THR 92 CO 0.55 -0.32 0.34 -0.94 -0.54 0.00 0.00 174.62 173.71 3d77 s SER 93 N -2.30 -0.13 0.00 3.99 1.04 -1.26 -5.01 113.70 110.03 3d77 s SER 93 Ca 0.68 -0.39 0.00 0.00 0.48 0.00 0.00 55.95 56.72 3d77 s SER 93 Cb -0.19 0.43 0.00 0.00 0.10 0.00 0.00 66.02 66.35 3d77 s SER 93 CO 0.32 -0.80 0.00 0.61 0.98 0.00 0.00 173.24 174.35 3d77 n GLY 94 N -0.11 -2.27 0.16 7.32 0.00 -1.26 -4.26 105.19 104.78 3d77 n GLY 94 Ca -0.16 -1.29 0.09 0.00 0.00 0.00 0.00 46.02 44.66 3d77 n GLY 94 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 3d77 h SER 95 N 0.00 0.00 -5.37 1.61 0.02 -1.99 -3.45 113.55 104.38 3d77 h SER 95 Ca 0.00 0.00 0.15 0.00 -0.84 0.00 0.00 61.79 61.10 3d77 h SER 95 Cb 0.00 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 62.50 3d77 h SER 95 CO 0.00 0.15 0.54 1.51 -1.14 0.00 0.00 176.83 177.89 3d77 s ASP 96 N -5.98 -0.03 0.28 3.07 1.47 -1.26 -5.02 116.67 109.21 3d77 s ASP 96 Ca 0.03 -0.67 -0.03 0.00 1.18 0.00 0.00 52.55 53.07 3d77 s ASP 96 Cb 0.07 0.53 0.40 0.00 -0.34 0.00 0.00 42.92 43.58 3d77 s ASP 96 CO 0.73 -1.04 1.92 0.78 0.68 0.00 0.00 175.17 178.25 3d77 h ASN 97 N 2.00 0.94 -0.27 2.11 2.35 -1.92 -0.37 115.58 120.43 3d77 h ASN 97 Ca -0.27 -0.06 -0.05 0.00 -0.55 0.00 0.00 56.30 55.36 3d77 h ASN 97 Cb 1.22 -0.24 -0.01 0.00 0.05 0.00 0.00 38.32 39.35 3d77 h ASN 97 CO 0.34 0.74 -0.04 0.00 -1.65 0.00 0.00 177.43 176.82 3d77 h ASN 99 N 0.26 0.00 -0.51 0.00 -0.73 -1.81 -0.14 115.58 112.64 3d77 h ASN 99 Ca 0.07 0.00 -0.01 0.00 1.87 0.00 0.00 56.30 58.24 3d77 h ASN 99 Cb 0.49 0.00 -0.02 0.00 0.27 0.00 0.00 38.32 39.06 3d77 h ASN 99 CO 0.02 0.46 0.30 0.11 -0.37 0.00 0.00 177.43 177.95 3d77 h LYS 100 N 0.00 0.70 -0.06 6.67 1.57 -0.99 -0.57 116.57 123.89 3d77 h LYS 100 Ca -0.00 -0.07 -0.16 0.00 -1.87 0.00 0.00 60.65 58.54 3d77 h LYS 100 Cb 0.81 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 32.97 3d77 h LYS 100 CO 0.06 0.52 -0.68 0.82 -0.57 0.00 0.00 179.45 179.60 3d77 h ILE 101 N 0.69 1.41 -0.26 1.86 1.08 -1.01 -1.56 117.51 119.71 3d77 h ILE 101 Ca 0.18 -2.14 0.05 0.00 -0.39 0.00 0.00 64.86 62.55 3d77 h ILE 101 Cb 0.01 2.12 -0.04 0.00 -3.07 0.00 0.00 36.82 35.83 3d77 h ILE 101 CO -0.03 0.63 -0.01 0.22 -0.69 0.00 0.00 178.15 178.27 3d77 h TYR 102 N 0.19 -0.03 -0.75 1.37 3.20 -0.74 0.10 116.97 120.31 3d77 h TYR 102 Ca -0.02 0.02 -0.05 0.00 3.14 0.00 0.00 58.73 61.82 3d77 h TYR 102 Cb 1.23 0.05 -0.03 0.00 1.54 0.00 0.00 36.73 39.52 3d77 h TYR 102 CO 0.03 -0.05 0.26 -0.91 -1.64 0.00 0.00 178.16 175.85 3d77 h ASN 103 N 0.07 1.06 -0.13 -2.11 2.35 -0.87 -0.70 115.58 115.25 3d77 h ASN 103 Ca 0.12 -0.19 -0.00 0.00 -0.55 0.00 0.00 56.30 55.68 3d77 h ASN 103 Cb 0.17 -0.28 -0.01 0.00 0.05 0.00 0.00 38.32 38.25 3d77 h ASN 103 CO -0.22 0.97 0.07 0.25 -1.65 0.00 0.00 177.43 176.85 3d77 h LEU 104 N 1.10 0.17 -0.69 1.61 5.85 -1.02 -1.40 115.31 120.93 3d77 h LEU 104 Ca 0.24 -0.09 0.03 0.00 0.84 0.00 0.00 57.88 58.90 3d77 h LEU 104 Cb 0.27 -0.04 -0.04 0.00 0.37 0.00 0.00 40.66 41.21 3d77 h LEU 104 CO -0.01 0.21 0.43 0.00 -0.34 0.00 0.00 178.44 178.73 3d77 h ALA 105 N 0.96 0.90 -0.38 1.25 0.00 -0.44 0.09 119.26 121.65 3d77 h ALA 105 Ca 0.05 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.93 3d77 h ALA 105 Cb 0.08 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 3d77 h ALA 105 CO -0.01 0.20 0.23 0.87 0.00 0.00 0.00 179.25 180.54 3d77 h LYS 106 N 0.84 0.51 -0.39 0.00 1.79 -1.05 0.52 116.57 118.80 3d77 h LYS 106 Ca 0.28 -0.04 -0.02 0.00 -2.18 0.00 0.00 60.65 58.68 3d77 h LYS 106 Cb 0.03 -0.11 -0.02 0.00 -1.58 0.00 0.00 32.23 30.55 3d77 h LYS 106 CO -0.11 0.37 0.16 0.00 -1.08 0.00 0.00 179.45 178.79 3d77 h VAL 108 N 0.48 1.24 -0.22 0.00 2.07 -0.76 -2.62 116.25 116.45 3d77 h VAL 108 Ca 0.13 -0.75 -0.01 0.00 0.82 0.00 0.00 66.70 66.89 3d77 h VAL 108 Cb 0.18 1.64 -0.01 0.00 -1.52 0.00 0.00 31.29 31.57 3d77 h VAL 108 CO -0.01 0.21 0.08 1.56 0.02 0.00 0.00 177.57 179.42 3d77 h GLN 109 N -0.18 0.30 0.00 1.57 4.20 -0.77 -0.31 115.11 119.92 3d77 h GLN 109 Ca 0.02 -0.03 -0.05 0.00 0.06 0.00 0.00 58.65 58.65 3d77 h GLN 109 Cb 0.32 -0.06 -0.01 0.00 0.30 0.00 0.00 27.48 28.04 3d77 h GLN 109 CO 0.00 0.26 -0.24 0.93 -0.67 0.00 0.00 178.83 179.12 3d77 h GLU 110 N 0.30 0.00 0.00 1.46 5.08 -1.13 -3.35 114.58 116.94 3d77 h GLU 110 Ca 0.08 0.00 -0.20 0.00 -1.00 0.00 0.00 59.36 58.23 3d77 h GLU 110 Cb 0.08 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.29 3d77 h GLU 110 CO -0.01 0.24 -1.77 0.43 -1.00 0.00 0.00 179.01 176.89 3d77 n SER 111 N -3.28 2.64 -3.33 1.42 7.64 -0.71 -4.92 113.62 113.07 3d77 n SER 111 Ca 0.01 -0.04 -0.13 0.00 1.01 0.00 0.00 58.87 59.72 3d77 n SER 111 Cb 0.51 0.23 -0.07 0.00 -1.01 0.00 0.00 64.21 63.87 3d77 n SER 111 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3d77 s ALA 112 N -2.27 -0.80 -0.61 -0.43 0.00 -0.21 -5.02 121.76 112.41 3d77 s ALA 112 Ca -0.13 -0.62 -0.00 0.00 0.00 0.00 0.00 51.96 51.21 3d77 s ALA 112 Cb 0.04 -2.14 0.49 0.00 0.00 0.00 0.00 23.12 21.52 3d77 s ALA 112 CO 0.38 -2.08 1.98 -0.35 0.00 0.00 0.00 175.76 175.69 3d77 n PRO 113 N 4.47 2.63 0.00 0.00 -0.04 -1.26 -2.76 135.00 138.04 3d77 n PRO 113 Ca 0.09 -3.27 0.05 0.00 -0.04 0.00 0.00 63.50 60.33 3d77 n PRO 113 Cb 0.47 -2.26 -0.03 0.00 -0.04 0.00 0.00 33.50 31.64 3d77 n PRO 113 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 3d77 n ASP 114 N -0.96 0.84 -0.01 3.54 8.00 -1.26 -4.85 116.55 121.84 3d77 n ASP 114 Ca 0.61 -0.92 -0.21 0.00 0.71 0.00 0.00 54.79 54.98 3d77 n ASP 114 Cb 0.87 0.76 -0.13 0.00 -0.02 0.00 0.00 41.12 42.60 3d77 n ASP 114 CO 0.00 0.00 0.00 0.58 -0.39 0.00 0.00 177.20 177.39 3d77 h VAL 115 N 0.54 1.00 -2.46 2.53 2.07 -1.88 -3.44 116.25 114.61 3d77 h VAL 115 Ca 0.00 -2.35 -0.63 0.00 0.82 0.00 0.00 66.70 64.54 3d77 h VAL 115 Cb 0.30 2.64 -0.14 0.00 -1.52 0.00 0.00 31.29 32.57 3d77 h VAL 115 CO 0.00 0.66 0.73 0.86 0.02 0.00 0.00 177.57 179.84 3d77 s TRP 116 N -2.46 2.70 -0.05 1.57 -0.11 -1.26 -4.98 118.94 114.36 3d77 s TRP 116 Ca -0.22 -0.67 0.05 0.00 1.22 0.00 0.00 56.10 56.49 3d77 s TRP 116 Cb 0.05 -4.36 -0.02 0.00 -1.50 0.00 0.00 33.47 27.63 3d77 s TRP 116 CO 0.73 -1.69 -0.21 0.12 -4.62 0.00 0.00 176.95 171.29 3d77 s PHE 117 N 4.08 2.52 -0.17 5.86 5.36 -1.26 -4.82 117.98 129.54 3d77 s PHE 117 Ca 0.27 -0.40 -0.02 0.00 -0.96 0.00 0.00 56.93 55.83 3d77 s PHE 117 Cb -0.12 -1.59 -0.01 0.00 -0.34 0.00 0.00 43.02 40.96 3d77 s PHE 117 CO 0.06 0.00 -0.10 0.08 -1.46 0.00 0.00 175.22 173.79 3d77 s VAL 118 N -0.51 3.05 -2.00 3.12 1.01 -1.26 -5.11 120.40 118.70 3d77 s VAL 118 Ca 0.07 -0.63 0.23 0.00 0.00 0.00 0.00 61.98 61.64 3d77 s VAL 118 Cb -0.11 -2.33 0.65 0.00 0.00 0.00 0.00 36.38 34.59 3d77 s VAL 118 CO 0.01 0.49 1.74 -0.38 0.00 0.00 0.00 175.10 176.95