#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3d75 h TRP 4 N 0.00 0.54 -0.53 1.24 5.08 -2.05 -3.44 115.95 116.79 3d75 h TRP 4 Ca 0.00 0.02 -0.73 0.00 1.08 0.00 0.00 58.89 59.25 3d75 h TRP 4 Cb 0.00 -0.17 -0.03 0.00 -3.00 0.00 0.00 29.16 25.96 3d75 h TRP 4 CO 0.00 0.21 1.33 0.28 -1.28 0.00 0.00 178.44 178.98 3d75 n VAL 5 N -4.49 0.09 -2.40 0.12 0.31 -1.26 -4.90 118.33 105.80 3d75 n VAL 5 Ca 0.14 -0.11 -0.33 0.00 -0.01 0.00 0.00 64.34 64.03 3d75 n VAL 5 Cb 0.49 -0.99 -0.02 0.00 -0.91 0.00 0.00 33.84 32.41 3d75 n VAL 5 CO 0.00 0.00 0.00 -2.16 -1.32 0.00 0.00 176.83 173.35 3d75 s PRO 6 N 5.91 3.72 0.66 5.55 0.04 -1.26 -4.93 135.00 144.68 3d75 s PRO 6 Ca 1.15 1.24 0.43 0.00 0.04 0.00 0.00 61.00 63.86 3d75 s PRO 6 Cb -1.22 -2.09 2.39 0.00 0.04 0.00 0.00 34.50 33.61 3d75 s PRO 6 CO 0.60 -0.49 2.37 -1.00 0.04 0.00 0.00 177.00 178.52 3d75 h PRO 7 N 1.18 0.00 0.00 0.56 0.13 -1.98 -2.04 132.00 129.85 3d75 h PRO 7 Ca -0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 3d75 h PRO 7 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 3d75 h PRO 7 CO 0.59 0.00 0.00 0.39 -0.23 0.00 0.00 178.00 178.75 3d75 n GLU 8 N -3.15 0.17 0.07 0.86 4.71 -1.26 -2.64 120.64 119.39 3d75 n GLU 8 Ca -0.03 0.24 -0.15 0.00 -0.01 0.00 0.00 57.16 57.21 3d75 n GLU 8 Cb 0.07 -1.74 -0.07 0.00 -1.01 0.00 0.00 31.44 28.69 3d75 n GLU 8 CO 0.00 0.00 0.00 0.28 0.09 0.00 0.00 177.13 177.50 3d75 h VAL 9 N 0.00 1.39 -0.37 2.62 2.07 -1.75 -3.03 116.25 117.18 3d75 h VAL 9 Ca 0.00 -2.53 -0.06 0.00 0.82 0.00 0.00 66.70 64.93 3d75 h VAL 9 Cb 0.53 2.53 -0.02 0.00 -1.52 0.00 0.00 31.29 32.82 3d75 h VAL 9 CO 0.00 0.76 -0.03 -0.26 0.02 0.00 0.00 177.57 178.06 3d75 h PHE 10 N 0.22 0.63 -0.04 1.57 0.04 -1.66 0.19 116.94 117.89 3d75 h PHE 10 Ca -0.11 -0.08 -0.18 0.00 2.80 0.00 0.00 57.97 60.41 3d75 h PHE 10 Cb 1.69 -0.18 -0.01 0.00 2.20 0.00 0.00 35.95 39.66 3d75 h PHE 10 CO 0.07 0.63 -0.74 0.22 -0.60 0.00 0.00 178.31 177.88 3d75 h ASP 11 N 0.56 0.34 -0.53 2.17 1.82 -1.68 -1.95 116.42 117.14 3d75 h ASP 11 Ca 0.11 -0.23 0.09 0.00 -0.39 0.00 0.00 57.03 56.61 3d75 h ASP 11 Cb 0.41 -0.10 -0.07 0.00 0.68 0.00 0.00 39.33 40.24 3d75 h ASP 11 CO 0.02 0.96 0.13 0.25 -1.61 0.00 0.00 179.24 178.99 3d75 h LEU 12 N 0.18 0.05 0.00 2.28 6.46 -1.23 -2.84 115.31 120.21 3d75 h LEU 12 Ca -0.03 0.09 0.00 0.00 -0.12 0.00 0.00 57.88 57.82 3d75 h LEU 12 Cb 1.31 0.11 0.00 0.00 -0.73 0.00 0.00 40.66 41.36 3d75 h LEU 12 CO 0.12 0.05 -0.31 1.33 -0.62 0.00 0.00 178.44 179.01 3d75 n VAL 13 N -5.09 0.10 -0.11 1.05 0.24 0.61 -4.66 118.33 110.47 3d75 n VAL 13 Ca 0.07 -0.06 -0.05 0.00 -2.04 0.00 0.00 64.34 62.25 3d75 n VAL 13 Cb 0.26 -0.13 0.01 0.00 -1.47 0.00 0.00 33.84 32.51 3d75 n VAL 13 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3d75 h ALA 14 N 2.89 0.14 -0.18 2.33 0.00 -1.09 0.12 119.26 123.46 3d75 h ALA 14 Ca 0.00 0.14 -0.04 0.00 0.00 0.00 0.00 54.91 55.01 3d75 h ALA 14 Cb 0.55 0.43 -0.01 0.00 0.00 0.00 0.00 17.79 18.77 3d75 h ALA 14 CO 0.00 -0.53 -0.05 1.49 0.00 0.00 0.00 179.25 180.15 3d75 h GLU 15 N -0.10 0.36 -0.99 0.00 4.81 -1.83 -1.91 114.58 114.92 3d75 h GLU 15 Ca 0.19 -0.14 0.08 0.00 -0.13 0.00 0.00 59.36 59.36 3d75 h GLU 15 Cb 0.39 -0.02 -0.07 0.00 0.63 0.00 0.00 28.75 29.68 3d75 h GLU 15 CO -0.46 0.63 0.64 -0.44 -0.73 0.00 0.00 179.01 178.65 3d75 h ASP 16 N 0.07 1.00 0.09 1.04 3.32 -1.74 -1.17 116.42 119.03 3d75 h ASP 16 Ca 0.05 0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.11 3d75 h ASP 16 Cb 0.50 -0.19 -0.00 0.00 0.22 0.00 0.00 39.33 39.85 3d75 h ASP 16 CO 0.02 0.62 -0.07 0.50 -1.72 0.00 0.00 179.24 178.59 3d75 h LYS 17 N 1.12 -0.15 -0.65 3.56 3.64 -0.28 -0.25 116.57 123.56 3d75 h LYS 17 Ca 0.44 0.01 0.02 0.00 -1.27 0.00 0.00 60.65 59.85 3d75 h LYS 17 Cb 0.24 0.03 -0.04 0.00 -0.41 0.00 0.00 32.23 32.06 3d75 h LYS 17 CO -0.19 -0.10 0.42 0.00 -2.27 0.00 0.00 179.45 177.31 3d75 h ALA 18 N 0.75 0.84 -0.20 5.00 0.00 -0.97 0.12 119.26 124.80 3d75 h ALA 18 Ca -0.00 -0.03 -0.06 0.00 0.00 0.00 0.00 54.91 54.82 3d75 h ALA 18 Cb 0.14 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 17.70 3d75 h ALA 18 CO -0.01 0.20 -0.11 -0.09 0.00 0.00 0.00 179.25 179.25 3d75 h ARG 19 N 0.83 0.43 -0.70 0.00 2.43 -1.07 -1.38 114.38 114.93 3d75 h ARG 19 Ca 0.25 -0.19 -0.02 0.00 -0.81 0.00 0.00 59.98 59.21 3d75 h ARG 19 Cb -0.03 -0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 29.47 3d75 h ARG 19 CO -0.08 0.73 0.36 0.00 -1.51 0.00 0.00 179.97 179.47 3d75 h MET 21 N 0.96 0.94 -0.12 0.00 2.86 -0.92 -2.77 114.93 115.88 3d75 h MET 21 Ca 0.24 -0.30 -0.00 0.00 -2.06 0.00 0.00 59.70 57.58 3d75 h MET 21 Cb 0.07 -0.08 -0.01 0.00 0.06 0.00 0.00 31.60 31.64 3d75 h MET 21 CO -0.04 0.96 0.06 1.03 1.06 0.00 0.00 176.91 179.98 3d75 h SER 22 N 0.81 0.16 -0.41 1.22 0.87 -0.96 -1.09 113.55 114.16 3d75 h SER 22 Ca 0.15 -0.13 0.10 0.00 -1.23 0.00 0.00 61.79 60.68 3d75 h SER 22 Cb 0.53 -0.04 -0.02 0.00 -0.44 0.00 0.00 62.40 62.43 3d75 h SER 22 CO 0.03 0.24 0.29 -0.33 -0.53 0.00 0.00 176.83 176.52 3d75 h GLU 23 N 0.07 0.09 -0.00 2.24 5.08 -0.73 -3.23 114.58 118.09 3d75 h GLU 23 Ca 0.04 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.40 3d75 h GLU 23 Cb 0.12 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.35 3d75 h GLU 23 CO -0.00 0.06 -0.11 0.72 -1.00 0.00 0.00 179.01 178.67 3d75 n HIS 24 N -4.44 0.00 -2.08 4.33 8.25 -1.05 -5.00 115.22 115.22 3d75 n HIS 24 Ca 0.06 0.00 -0.08 0.00 -0.26 0.00 0.00 57.72 57.44 3d75 n HIS 24 Cb 0.41 0.00 -0.01 0.00 1.12 0.00 0.00 29.99 31.52 3d75 n HIS 24 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3d75 n GLY 25 N 0.73 0.11 3.74 -1.41 0.00 -0.54 -4.14 105.19 103.68 3d75 n GLY 25 Ca 0.02 -0.55 -0.40 0.00 0.00 0.00 0.00 46.02 45.09 3d75 n GLY 25 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3d75 s THR 26 N -2.41 4.31 0.14 2.61 2.01 -0.52 -4.93 115.64 116.85 3d75 s THR 26 Ca 0.00 2.04 0.03 0.00 0.31 0.00 0.00 61.69 64.07 3d75 s THR 26 Cb 0.00 -4.31 -0.04 0.00 0.01 0.00 0.00 72.50 68.17 3d75 s THR 26 CO 0.00 0.41 0.21 0.42 -0.69 0.00 0.00 174.62 174.97 3d75 s THR 27 N -0.60 4.96 0.26 -0.82 -4.23 -1.26 -4.77 115.64 109.18 3d75 s THR 27 Ca 0.43 -0.81 -0.02 0.00 -1.18 0.00 0.00 61.69 60.11 3d75 s THR 27 Cb -0.24 -3.52 0.26 0.00 1.34 0.00 0.00 72.50 70.34 3d75 s THR 27 CO 0.30 -0.06 1.87 -0.61 -0.54 0.00 0.00 174.62 175.58 3d75 h GLN 28 N 2.42 1.07 -1.00 3.99 5.75 -2.00 -2.35 115.11 122.99 3d75 h GLN 28 Ca -0.48 -0.06 0.20 0.00 -0.15 0.00 0.00 58.65 58.16 3d75 h GLN 28 Cb 1.19 -0.24 -0.11 0.00 1.07 0.00 0.00 27.48 29.39 3d75 h GLN 28 CO 0.67 0.71 0.61 0.00 -2.65 0.00 0.00 178.83 178.17 3d75 h ALA 29 N 1.46 1.72 -0.26 3.38 0.00 -1.99 0.13 119.26 123.70 3d75 h ALA 29 Ca 0.44 0.09 -0.17 0.00 0.00 0.00 0.00 54.91 55.26 3d75 h ALA 29 Cb 0.23 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 17.96 3d75 h ALA 29 CO -0.19 -0.12 -0.52 1.96 0.00 0.00 0.00 179.25 180.38 3d75 h GLN 30 N 0.71 0.76 -0.55 0.00 4.20 -1.84 -1.60 115.11 116.79 3d75 h GLN 30 Ca 0.60 -0.47 -0.06 0.00 0.06 0.00 0.00 58.65 58.78 3d75 h GLN 30 Cb 0.99 0.05 -0.02 0.00 0.30 0.00 0.00 27.48 28.80 3d75 h GLN 30 CO -0.40 1.09 0.12 0.82 -0.67 0.00 0.00 178.83 179.79 3d75 h ILE 31 N 0.59 1.25 -0.76 2.54 2.04 -1.01 -2.57 117.51 119.59 3d75 h ILE 31 Ca 0.02 -0.91 0.05 0.00 1.00 0.00 0.00 64.86 65.02 3d75 h ILE 31 Cb 1.10 0.77 -0.05 0.00 -0.74 0.00 0.00 36.82 37.90 3d75 h ILE 31 CO 0.11 0.33 0.46 0.44 0.00 0.00 0.00 178.15 179.49 3d75 h ASP 32 N 0.80 0.72 -0.74 1.72 3.32 -0.63 -2.01 116.42 119.59 3d75 h ASP 32 Ca 0.17 0.02 -0.03 0.00 0.02 0.00 0.00 57.03 57.21 3d75 h ASP 32 Cb 0.37 -0.13 -0.03 0.00 0.22 0.00 0.00 39.33 39.75 3d75 h ASP 32 CO 0.00 0.47 0.34 0.44 -1.72 0.00 0.00 179.24 178.78 3d75 h ASP 33 N 0.85 0.99 -0.60 6.45 3.32 -1.06 0.02 116.42 126.39 3d75 h ASP 33 Ca 0.33 -0.14 -0.06 0.00 0.02 0.00 0.00 57.03 57.17 3d75 h ASP 33 Cb 0.14 -0.25 -0.03 0.00 0.22 0.00 0.00 39.33 39.41 3d75 h ASP 33 CO -0.16 0.86 0.14 0.58 -1.72 0.00 0.00 179.24 178.94 3d75 h VAL 34 N 1.05 1.25 -0.17 -1.35 2.07 -1.04 0.28 116.25 118.34 3d75 h VAL 34 Ca 0.25 -0.92 -0.10 0.00 0.82 0.00 0.00 66.70 66.75 3d75 h VAL 34 Cb 0.14 0.61 -0.01 0.00 -1.52 0.00 0.00 31.29 30.51 3d75 h VAL 34 CO -0.03 0.35 -0.34 0.78 0.02 0.00 0.00 177.57 178.35 3d75 h ASN 35 N 0.95 0.36 -0.28 0.57 2.35 -0.92 -2.09 115.58 116.53 3d75 h ASN 35 Ca 0.20 -0.13 0.00 0.00 -0.55 0.00 0.00 56.30 55.82 3d75 h ASN 35 Cb 0.35 -0.10 0.00 0.00 0.05 0.00 0.00 38.32 38.62 3d75 h ASN 35 CO 0.00 0.68 0.00 2.29 -1.65 0.00 0.00 177.43 178.75 3d75 n LYS 36 N -4.08 2.31 0.00 0.81 2.85 -0.05 -4.90 118.16 115.10 3d75 n LYS 36 Ca -0.01 -1.28 0.00 0.00 -1.05 0.00 0.00 58.31 55.97 3d75 n LYS 36 Cb 0.44 -1.60 0.00 0.00 -0.65 0.00 0.00 35.03 33.22 3d75 n LYS 36 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 3d75 n GLY 37 N 0.57 2.54 3.50 2.58 0.00 -0.78 -5.04 105.19 108.56 3d75 n GLY 37 Ca 0.11 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.70 3d75 n GLY 37 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3d75 s ASN 38 N -1.36 6.30 -0.11 1.61 0.01 0.92 -4.92 114.94 117.39 3d75 s ASN 38 Ca 0.00 -0.51 0.03 0.00 -0.71 0.00 0.00 52.86 51.67 3d75 s ASN 38 Cb 0.00 -2.41 0.01 0.00 0.41 0.00 0.00 41.25 39.26 3d75 s ASN 38 CO 0.00 -1.19 -0.20 -0.22 -1.51 0.00 0.00 177.10 173.99 3d75 s LEU 39 N 3.72 1.95 0.34 0.60 2.96 -1.26 -2.98 118.68 124.01 3d75 s LEU 39 Ca 0.27 -0.51 0.09 0.00 -0.22 0.00 0.00 54.13 53.76 3d75 s LEU 39 Cb -0.14 -1.27 -0.05 0.00 0.50 0.00 0.00 46.19 45.23 3d75 s LEU 39 CO 0.17 0.09 0.07 0.68 -1.32 0.00 0.00 176.35 176.03 3d75 s VAL 40 N 0.67 2.74 -1.24 1.68 -7.23 -1.26 -5.05 120.40 110.71 3d75 s VAL 40 Ca -0.12 -1.86 -0.09 0.00 -1.81 0.00 0.00 61.98 58.10 3d75 s VAL 40 Cb -0.16 -2.87 0.19 0.00 0.56 0.00 0.00 36.38 34.09 3d75 s VAL 40 CO 0.03 -0.18 1.75 -3.20 -0.31 0.00 0.00 175.10 173.19 3d75 n ASN 41 N -1.04 5.31 -4.29 4.85 5.15 -1.26 -4.77 115.26 119.22 3d75 n ASN 41 Ca -0.04 -3.14 -0.34 0.00 -0.60 0.00 0.00 54.58 50.47 3d75 n ASN 41 Cb 0.62 -1.45 -0.15 0.00 -0.53 0.00 0.00 39.78 38.27 3d75 n ASN 41 CO 0.00 0.00 0.00 -1.61 1.40 0.00 0.00 177.26 177.05 3d75 s GLU 42 N -0.00 3.27 0.39 1.20 0.41 -1.26 -5.03 118.70 117.68 3d75 s GLU 42 Ca 0.38 -0.71 0.11 0.00 -0.41 0.00 0.00 54.97 54.34 3d75 s GLU 42 Cb 0.07 -2.71 0.91 0.00 -1.78 0.00 0.00 34.13 30.62 3d75 s GLU 42 CO 0.02 -0.01 1.93 -1.35 -0.49 0.00 0.00 175.26 175.35 3d75 h PRO 43 N 7.42 0.55 -0.38 0.39 0.11 -1.96 -0.50 132.00 137.63 3d75 h PRO 43 Ca -0.34 -0.03 0.11 0.00 0.11 0.00 0.00 66.00 65.84 3d75 h PRO 43 Cb 1.18 -0.12 -0.02 0.00 0.11 0.00 0.00 31.00 32.15 3d75 h PRO 43 CO 0.58 0.37 0.29 0.66 -0.21 0.00 0.00 178.00 179.68 3d75 h SER 44 N 0.57 0.00 0.00 -2.05 4.64 -1.92 -0.19 113.55 114.59 3d75 h SER 44 Ca 0.36 0.00 -0.34 0.00 -0.47 0.00 0.00 61.79 61.34 3d75 h SER 44 Cb 0.62 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 62.65 3d75 h SER 44 CO -0.13 0.00 -2.30 0.00 -0.87 0.00 0.00 176.83 173.53 3d75 n ILE 45 N -4.32 1.30 -0.08 0.95 0.13 -0.47 -3.98 119.36 112.90 3d75 n ILE 45 Ca 0.06 -0.49 -0.09 0.00 -1.10 0.00 0.00 62.75 61.13 3d75 n ILE 45 Cb 0.47 -1.33 0.07 0.00 -0.84 0.00 0.00 39.64 38.01 3d75 n ILE 45 CO 0.00 0.00 0.00 0.71 2.80 0.00 0.00 176.55 180.06 3d75 h THR 46 N -0.04 1.28 0.00 9.51 1.35 -1.09 -1.56 112.91 122.35 3d75 h THR 46 Ca -0.51 -1.44 -0.15 0.00 -0.55 0.00 0.00 66.41 63.75 3d75 h THR 46 Cb 1.78 1.33 -0.02 0.00 -1.73 0.00 0.00 68.15 69.50 3d75 h THR 46 CO -0.09 0.47 -0.74 0.00 -0.25 0.00 0.00 175.52 174.92 3d75 h TYR 48 N 0.00 0.23 -0.48 0.00 3.20 -1.56 0.58 116.97 118.94 3d75 h TYR 48 Ca -0.01 0.01 -0.06 0.00 3.14 0.00 0.00 58.73 61.81 3d75 h TYR 48 Cb 1.36 -0.06 -0.02 0.00 1.54 0.00 0.00 36.73 39.55 3d75 h TYR 48 CO 0.00 0.12 0.05 0.52 -1.64 0.00 0.00 178.16 177.22 3d75 h MET 49 N 0.27 0.81 -0.32 1.82 2.86 -1.18 -1.34 114.93 117.84 3d75 h MET 49 Ca 0.11 -0.23 0.04 0.00 -2.06 0.00 0.00 59.70 57.56 3d75 h MET 49 Cb 0.05 -0.09 -0.03 0.00 0.06 0.00 0.00 31.60 31.59 3d75 h MET 49 CO -0.09 0.83 0.11 -0.92 1.06 0.00 0.00 176.91 177.90 3d75 h TYR 50 N 0.67 0.20 -0.43 -0.22 3.20 -1.37 -0.80 116.97 118.22 3d75 h TYR 50 Ca 0.14 0.02 0.08 0.00 3.14 0.00 0.00 58.73 62.11 3d75 h TYR 50 Cb 0.43 -0.04 -0.07 0.00 1.54 0.00 0.00 36.73 38.59 3d75 h TYR 50 CO 0.03 0.08 -0.01 0.00 -1.64 0.00 0.00 178.16 176.62 3d75 h LEU 52 N 0.10 0.74 -0.47 0.00 5.85 -1.01 -0.81 115.31 119.71 3d75 h LEU 52 Ca 0.21 -0.48 0.06 0.00 0.84 0.00 0.00 57.88 58.51 3d75 h LEU 52 Cb 0.31 -0.21 -0.05 0.00 0.37 0.00 0.00 40.66 41.08 3d75 h LEU 52 CO -0.37 1.07 0.19 -0.07 -0.34 0.00 0.00 178.44 178.92 3d75 h LEU 53 N 0.43 0.22 -0.28 2.25 3.38 -0.99 -2.81 115.31 117.52 3d75 h LEU 53 Ca 0.04 0.05 0.02 0.00 0.09 0.00 0.00 57.88 58.08 3d75 h LEU 53 Cb 0.87 0.02 -0.02 0.00 0.09 0.00 0.00 40.66 41.62 3d75 h LEU 53 CO 0.07 0.16 0.14 -0.08 0.09 0.00 0.00 178.44 178.82 3d75 h GLU 54 N 0.38 0.28 -0.33 1.13 4.22 -0.77 0.13 114.58 119.62 3d75 h GLU 54 Ca 0.22 -0.02 0.10 0.00 0.08 0.00 0.00 59.36 59.74 3d75 h GLU 54 Cb 0.19 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.37 3d75 h GLU 54 CO -0.20 0.18 0.32 0.00 -2.18 0.00 0.00 179.01 177.13 3d75 h ALA 55 N 1.15 2.07 -0.28 2.92 0.00 -0.88 0.25 119.26 124.48 3d75 h ALA 55 Ca 0.12 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.97 3d75 h ALA 55 Cb 0.04 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 17.83 3d75 h ALA 55 CO -0.08 -0.49 -0.00 1.19 0.00 0.00 0.00 179.25 179.86 3d75 n PHE 56 N -3.93 0.97 -3.36 0.00 0.99 -1.07 -4.96 117.46 106.11 3d75 n PHE 56 Ca 0.05 -1.04 -0.24 0.00 -0.00 0.00 0.00 57.45 56.22 3d75 n PHE 56 Cb 0.48 -0.36 0.01 0.00 -1.00 0.00 0.00 39.48 38.62 3d75 n PHE 56 CO 0.00 0.00 0.00 0.43 -0.00 0.00 0.00 176.76 177.19 3d75 n SER 57 N -0.68 -4.70 0.09 4.37 7.64 0.86 -4.86 113.62 116.34 3d75 n SER 57 Ca 0.24 -0.43 0.10 0.00 1.01 0.00 0.00 58.87 59.79 3d75 n SER 57 Cb 0.93 -3.83 -0.02 0.00 -1.01 0.00 0.00 64.21 60.28 3d75 n SER 57 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 3d75 n LEU 58 N -4.02 0.82 -4.08 -3.43 4.77 0.44 -4.74 117.00 106.76 3d75 n LEU 58 Ca -0.03 0.32 -0.08 0.00 -0.03 0.00 0.00 56.01 56.19 3d75 n LEU 58 Cb 0.56 -0.04 -0.10 0.00 -2.33 0.00 0.00 43.42 41.51 3d75 n LEU 58 CO 0.55 -0.14 -0.36 0.68 -1.33 0.00 0.00 177.39 176.78 3d75 s VAL 59 N -3.31 0.28 0.00 4.08 -7.23 -1.23 0.62 120.40 113.60 3d75 s VAL 59 Ca -0.01 -1.65 0.00 0.00 -1.81 0.00 0.00 61.98 58.51 3d75 s VAL 59 Cb 0.10 -1.30 0.00 0.00 0.56 0.00 0.00 36.38 35.73 3d75 s VAL 59 CO 0.80 -0.88 0.00 -0.90 -0.31 0.00 0.00 175.10 173.81 3d75 n ASP 60 N 0.38 0.00 0.20 4.85 5.68 -0.23 -4.59 116.55 122.85 3d75 n ASP 60 Ca -0.16 -0.96 0.14 0.00 -0.50 0.00 0.00 54.79 53.32 3d75 n ASP 60 Cb 0.60 0.00 0.57 0.00 -1.14 0.00 0.00 41.12 41.14 3d75 n ASP 60 CO 0.00 0.00 0.00 -2.24 -1.33 0.00 0.00 177.20 173.63 3d75 h ASP 61 N 0.00 0.00 -0.34 -1.12 2.03 -2.02 -1.76 116.42 113.20 3d75 h ASP 61 Ca 0.00 0.00 -0.08 0.00 -0.73 0.00 0.00 57.03 56.22 3d75 h ASP 61 Cb 0.00 0.00 -0.05 0.00 -0.83 0.00 0.00 39.33 38.45 3d75 h ASP 61 CO 0.00 0.00 0.02 -0.62 -1.03 0.00 0.00 179.24 177.61 3d75 n GLU 62 N -2.66 2.66 -2.89 4.15 1.02 -1.26 -4.96 120.64 116.70 3d75 n GLU 62 Ca 0.02 -2.97 -0.22 0.00 -0.02 0.00 0.00 57.16 53.97 3d75 n GLU 62 Cb 0.28 -1.88 0.02 0.00 -0.02 0.00 0.00 31.44 29.85 3d75 n GLU 62 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3d75 n ALA 63 N -0.68 -0.90 -2.60 0.62 0.00 -0.66 -4.90 120.51 111.39 3d75 n ALA 63 Ca 0.27 0.26 -0.41 0.00 0.00 0.00 0.00 53.44 53.56 3d75 n ALA 63 Cb 1.00 -3.50 -0.04 0.00 0.00 0.00 0.00 19.45 16.91 3d75 n ALA 63 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 3d75 s ASN 64 N -2.56 7.25 -0.11 0.00 0.01 -1.26 -4.68 114.94 113.60 3d75 s ASN 64 Ca 0.24 1.51 -0.27 0.00 -0.71 0.00 0.00 52.86 53.62 3d75 s ASN 64 Cb -0.11 -2.51 -0.02 0.00 0.41 0.00 0.00 41.25 39.03 3d75 s ASN 64 CO 0.29 -0.15 0.90 -0.69 -1.51 0.00 0.00 177.10 175.95 3d75 s VAL 65 N 0.64 4.86 -0.91 1.60 1.01 -1.26 -1.06 120.40 125.28 3d75 s VAL 65 Ca 0.45 1.83 -0.23 0.00 0.00 0.00 0.00 61.98 64.02 3d75 s VAL 65 Cb -0.20 -4.22 0.06 0.00 0.00 0.00 0.00 36.38 32.02 3d75 s VAL 65 CO 0.25 0.07 1.32 -0.62 0.00 0.00 0.00 175.10 176.11 3d75 s ASP 66 N 1.06 6.42 0.40 3.32 -1.08 0.20 -4.87 116.67 122.12 3d75 s ASP 66 Ca 0.44 -1.28 0.15 0.00 -0.52 0.00 0.00 52.55 51.33 3d75 s ASP 66 Cb -0.18 -2.53 0.85 0.00 -1.46 0.00 0.00 42.92 39.60 3d75 s ASP 66 CO 0.17 -1.51 1.88 -0.08 0.52 0.00 0.00 175.17 176.16 3d75 h GLU 67 N 9.68 0.00 0.14 4.34 4.81 -1.94 -0.10 114.58 131.52 3d75 h GLU 67 Ca 0.05 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.27 3d75 h GLU 67 Cb 1.03 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.41 3d75 h GLU 67 CO 1.32 0.31 -0.07 -0.44 -0.73 0.00 0.00 179.01 179.40 3d75 h ASP 68 N 0.00 -0.16 -0.37 1.04 3.32 -1.97 0.14 116.42 118.41 3d75 h ASP 68 Ca -0.00 -0.25 0.03 0.00 0.02 0.00 0.00 57.03 56.82 3d75 h ASP 68 Cb 0.57 0.04 -0.03 0.00 0.22 0.00 0.00 39.33 40.13 3d75 h ASP 68 CO 0.04 0.17 0.18 0.40 -1.72 0.00 0.00 179.24 178.32 3d75 h ILE 69 N -0.52 0.98 -0.30 0.35 2.04 -1.86 0.07 117.51 118.28 3d75 h ILE 69 Ca -0.02 -0.13 0.05 0.00 1.00 0.00 0.00 64.86 65.76 3d75 h ILE 69 Cb 0.40 0.57 -0.05 0.00 -0.74 0.00 0.00 36.82 37.00 3d75 h ILE 69 CO 0.03 0.07 -0.00 -0.03 0.00 0.00 0.00 178.15 178.22 3d75 h MET 70 N 0.38 0.08 -0.59 2.37 4.05 -0.95 -2.14 114.93 118.13 3d75 h MET 70 Ca 0.16 -0.00 -0.05 0.00 -0.28 0.00 0.00 59.70 59.52 3d75 h MET 70 Cb 0.06 -0.02 -0.03 0.00 -0.80 0.00 0.00 31.60 30.82 3d75 h MET 70 CO -0.11 0.05 0.17 -0.07 0.23 0.00 0.00 176.91 177.18 3d75 h LEU 71 N 0.08 0.83 0.00 3.39 3.38 -0.42 -2.92 115.31 119.65 3d75 h LEU 71 Ca 0.14 -0.14 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3d75 h LEU 71 Cb 0.19 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 40.73 3d75 h LEU 71 CO -0.24 0.79 0.00 0.61 0.09 0.00 0.00 178.44 179.68 3d75 n GLY 72 N -0.88 -1.05 1.23 0.83 0.00 -0.01 -2.30 105.19 103.00 3d75 n GLY 72 Ca 0.04 -0.06 0.12 0.00 0.00 0.00 0.00 46.02 46.12 3d75 n GLY 72 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3d75 n LEU 73 N -1.49 3.67 -4.66 0.99 4.32 -0.98 -4.97 117.00 113.88 3d75 n LEU 73 Ca 0.04 -1.72 -0.26 0.00 -0.02 0.00 0.00 56.01 54.06 3d75 n LEU 73 Cb 0.19 -0.35 -0.08 0.00 -1.62 0.00 0.00 43.42 41.56 3d75 n LEU 73 CO 0.15 0.85 -0.33 -0.76 -1.22 0.00 0.00 177.39 176.08 3d75 s LEU 74 N -1.27 3.28 0.32 2.23 1.43 -0.97 -5.10 118.68 118.60 3d75 s LEU 74 Ca 0.43 -0.46 -0.29 0.00 -1.03 0.00 0.00 54.13 52.79 3d75 s LEU 74 Cb 0.24 -1.90 -0.10 0.00 0.03 0.00 0.00 46.19 44.46 3d75 s LEU 74 CO 0.32 0.07 1.24 -2.84 0.23 0.00 0.00 176.35 175.36 3d75 s PRO 75 N -3.13 4.40 0.59 1.29 0.02 -1.26 -4.82 135.00 132.10 3d75 s PRO 75 Ca 0.28 2.07 0.29 0.00 0.02 0.00 0.00 61.00 63.67 3d75 s PRO 75 Cb -0.09 -3.07 1.66 0.00 0.02 0.00 0.00 34.50 33.03 3d75 s PRO 75 CO 0.19 -0.09 2.08 0.38 -0.33 0.00 0.00 177.00 179.22 3d75 h ASP 76 N 3.43 0.00 -0.21 2.53 2.03 -1.99 0.31 116.42 122.52 3d75 h ASP 76 Ca -0.48 0.00 0.05 0.00 -0.73 0.00 0.00 57.03 55.87 3d75 h ASP 76 Cb 1.22 0.00 -0.07 0.00 -0.83 0.00 0.00 39.33 39.65 3d75 h ASP 76 CO 0.66 0.00 -0.42 -0.61 -1.03 0.00 0.00 179.24 177.83 3d75 h GLN 77 N 0.00 -0.43 0.00 4.15 4.15 -2.02 -3.07 115.11 117.89 3d75 h GLN 77 Ca 0.09 0.03 -0.16 0.00 0.77 0.00 0.00 58.65 59.38 3d75 h GLN 77 Cb 0.56 0.10 -0.02 0.00 0.21 0.00 0.00 27.48 28.32 3d75 h GLN 77 CO -0.00 -0.28 -0.78 -0.07 -1.93 0.00 0.00 178.83 175.76 3d75 h LEU 78 N -0.44 0.00 -0.95 -2.39 3.38 -0.78 -3.38 115.31 110.74 3d75 h LEU 78 Ca 0.09 0.00 0.26 0.00 0.09 0.00 0.00 57.88 58.32 3d75 h LEU 78 Cb 0.61 0.00 -0.13 0.00 0.09 0.00 0.00 40.66 41.23 3d75 h LEU 78 CO -0.45 0.78 0.48 1.56 0.09 0.00 0.00 178.44 180.90 3d75 h GLN 79 N 0.00 0.40 0.45 1.13 4.20 -1.23 0.51 115.11 120.56 3d75 h GLN 79 Ca -0.01 -0.02 -0.01 0.00 0.06 0.00 0.00 58.65 58.67 3d75 h GLN 79 Cb 1.41 -0.09 -0.02 0.00 0.30 0.00 0.00 27.48 29.09 3d75 h GLN 79 CO 0.10 0.26 -0.37 1.49 -0.67 0.00 0.00 178.83 179.64 3d75 h GLU 80 N 0.41 -0.79 -0.05 1.46 4.81 -1.74 0.16 114.58 118.84 3d75 h GLU 80 Ca 0.63 0.05 -0.08 0.00 -0.13 0.00 0.00 59.36 59.83 3d75 h GLU 80 Cb 1.28 0.18 -0.01 0.00 0.63 0.00 0.00 28.75 30.82 3d75 h GLU 80 CO -0.55 -0.52 -0.35 -0.09 -0.73 0.00 0.00 179.01 176.77 3d75 h ARG 81 N -0.81 0.11 0.18 1.92 2.43 -0.68 -1.98 114.38 115.54 3d75 h ARG 81 Ca -0.04 -0.04 -0.01 0.00 -0.81 0.00 0.00 59.98 59.08 3d75 h ARG 81 Cb 0.70 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 30.25 3d75 h ARG 81 CO -0.02 0.45 -0.09 0.00 -1.51 0.00 0.00 179.97 178.80 3d75 h ALA 82 N 1.55 -0.25 -1.00 2.80 0.00 -0.04 -2.17 119.26 120.16 3d75 h ALA 82 Ca 0.01 -0.19 0.21 0.00 0.00 0.00 0.00 54.91 54.94 3d75 h ALA 82 Cb 0.67 0.10 -0.11 0.00 0.00 0.00 0.00 17.79 18.44 3d75 h ALA 82 CO 0.05 -0.44 0.59 1.96 0.00 0.00 0.00 179.25 181.41 3d75 h GLN 83 N -0.63 0.67 0.11 0.00 4.20 -0.52 0.20 115.11 119.13 3d75 h GLN 83 Ca -0.03 -0.04 -0.01 0.00 0.06 0.00 0.00 58.65 58.64 3d75 h GLN 83 Cb 0.46 -0.15 0.00 0.00 0.30 0.00 0.00 27.48 28.09 3d75 h GLN 83 CO 0.04 0.44 -0.05 1.03 -0.67 0.00 0.00 178.83 179.62 3d75 h SER 84 N 0.69 -0.13 -0.39 1.46 0.87 -1.29 -1.01 113.55 113.74 3d75 h SER 84 Ca 0.60 -0.04 -0.06 0.00 -1.23 0.00 0.00 61.79 61.06 3d75 h SER 84 Cb 1.01 0.03 -0.02 0.00 -0.44 0.00 0.00 62.40 62.98 3d75 h SER 84 CO -0.42 -0.04 0.04 0.58 -0.53 0.00 0.00 176.83 176.46 3d75 h VAL 85 N -0.20 1.23 -0.09 2.23 2.07 -0.38 -2.12 116.25 118.98 3d75 h VAL 85 Ca -0.02 -0.90 -0.12 0.00 0.82 0.00 0.00 66.70 66.48 3d75 h VAL 85 Cb 0.16 0.83 -0.01 0.00 -1.52 0.00 0.00 31.29 30.74 3d75 h VAL 85 CO 0.02 0.32 -0.49 0.24 0.02 0.00 0.00 177.57 177.69 3d75 h MET 86 N 0.71 0.24 -0.27 1.57 2.07 -0.64 0.02 114.93 118.64 3d75 h MET 86 Ca 0.15 -0.13 0.06 0.00 -2.07 0.00 0.00 59.70 57.71 3d75 h MET 86 Cb 0.38 0.01 -0.08 0.00 -1.87 0.00 0.00 31.60 30.04 3d75 h MET 86 CO 0.01 0.68 -0.32 0.78 1.07 0.00 0.00 176.91 179.14 3d75 h GLY 87 N 1.33 -0.32 0.71 8.32 0.00 -0.50 -0.53 103.07 112.09 3d75 h GLY 87 Ca 0.01 0.39 -0.01 0.00 0.00 0.00 0.00 47.33 47.73 3d75 h GLY 87 CO 0.08 -0.21 -0.05 1.70 0.00 0.00 0.00 176.54 178.05 3d75 h LYS 88 N -0.31 -0.14 -0.01 4.80 3.64 -1.29 -3.37 116.57 119.89 3d75 h LYS 88 Ca 0.13 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.52 3d75 h LYS 88 Cb 0.53 0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.38 3d75 h LYS 88 CO -0.44 0.15 -0.24 0.00 -2.27 0.00 0.00 179.45 176.65 3d75 s LEU 90 N -2.42 3.05 0.76 0.00 1.43 -0.22 -4.32 118.68 116.97 3d75 s LEU 90 Ca 0.26 -0.30 -0.11 0.00 -1.03 0.00 0.00 54.13 52.95 3d75 s LEU 90 Cb 0.19 -1.81 0.05 0.00 0.03 0.00 0.00 46.19 44.65 3d75 s LEU 90 CO 0.49 0.22 1.08 -2.16 0.23 0.00 0.00 176.35 176.22 3d75 s PRO 91 N -1.86 2.36 0.57 1.29 0.04 -1.26 -4.83 135.00 131.30 3d75 s PRO 91 Ca 0.19 0.98 -0.18 0.00 0.04 0.00 0.00 61.00 62.04 3d75 s PRO 91 Cb -0.11 -1.92 -0.05 0.00 0.04 0.00 0.00 34.50 32.46 3d75 s PRO 91 CO 0.11 -1.52 1.11 0.95 0.04 0.00 0.00 177.00 177.69 3d75 s THR 92 N -2.99 3.33 0.02 1.26 -4.23 -1.26 -5.07 115.64 106.70 3d75 s THR 92 Ca 0.60 0.76 -0.13 0.00 -1.18 0.00 0.00 61.69 61.73 3d75 s THR 92 Cb -0.16 -3.27 0.02 0.00 1.34 0.00 0.00 72.50 70.43 3d75 s THR 92 CO 0.56 -0.25 0.29 -0.94 -0.54 0.00 0.00 174.62 173.73 3d75 s SER 93 N -2.09 -0.13 0.00 3.99 1.04 -1.26 -5.02 113.70 110.23 3d75 s SER 93 Ca 0.70 -0.11 0.00 0.00 0.48 0.00 0.00 55.95 57.02 3d75 s SER 93 Cb -0.21 0.33 0.00 0.00 0.10 0.00 0.00 66.02 66.24 3d75 s SER 93 CO 0.30 -0.54 0.00 0.61 0.98 0.00 0.00 173.24 174.59 3d75 n GLY 94 N 0.87 0.56 0.06 7.32 0.00 -1.26 -4.24 105.19 108.51 3d75 n GLY 94 Ca -0.20 -1.22 0.12 0.00 0.00 0.00 0.00 46.02 44.72 3d75 n GLY 94 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3d75 n SER 95 N 0.00 0.68 -3.41 1.61 3.41 -1.26 -4.85 113.62 109.80 3d75 n SER 95 Ca 0.00 0.06 -0.02 0.00 -0.26 0.00 0.00 58.87 58.65 3d75 n SER 95 Cb 0.00 0.27 0.02 0.00 -0.26 0.00 0.00 64.21 64.24 3d75 n SER 95 CO 0.00 0.00 0.00 1.51 -0.16 0.00 0.00 175.04 176.39 3d75 s ASP 96 N -4.16 0.00 0.22 4.04 1.47 -1.26 -5.01 116.67 111.97 3d75 s ASP 96 Ca 0.06 -0.62 -0.03 0.00 1.18 0.00 0.00 52.55 53.13 3d75 s ASP 96 Cb 0.14 0.46 0.21 0.00 -0.34 0.00 0.00 42.92 43.39 3d75 s ASP 96 CO 0.73 -0.92 1.63 0.78 0.68 0.00 0.00 175.17 178.08 3d75 h ASN 97 N 2.00 0.72 -0.01 2.11 2.35 -1.93 -0.89 115.58 119.94 3d75 h ASN 97 Ca -0.27 -0.27 -0.00 0.00 -0.55 0.00 0.00 56.30 55.21 3d75 h ASN 97 Cb 1.21 -0.20 -0.00 0.00 0.05 0.00 0.00 38.32 39.38 3d75 h ASN 97 CO 0.35 0.96 0.00 0.00 -1.65 0.00 0.00 177.43 177.09 3d75 h ASN 99 N -0.19 0.39 -0.66 0.00 -1.24 -1.85 -0.86 115.58 111.17 3d75 h ASN 99 Ca 0.00 -0.02 -0.07 0.00 0.71 0.00 0.00 56.30 56.93 3d75 h ASN 99 Cb 0.22 -0.10 -0.03 0.00 0.73 0.00 0.00 38.32 39.14 3d75 h ASN 99 CO -0.00 0.30 0.13 0.11 -1.29 0.00 0.00 177.43 176.68 3d75 h LYS 100 N 0.46 1.09 0.01 6.67 1.57 -1.10 -1.15 116.57 124.12 3d75 h LYS 100 Ca 0.12 -0.28 -0.26 0.00 -1.87 0.00 0.00 60.65 58.36 3d75 h LYS 100 Cb -0.02 -0.13 0.02 0.00 0.08 0.00 0.00 32.23 32.17 3d75 h LYS 100 CO -0.02 0.99 -1.03 0.82 -0.57 0.00 0.00 179.45 179.64 3d75 h ILE 101 N 1.01 1.32 -0.37 1.86 1.08 -1.27 -2.17 117.51 118.98 3d75 h ILE 101 Ca 0.20 -2.35 0.07 0.00 -0.39 0.00 0.00 64.86 62.40 3d75 h ILE 101 Cb 0.42 2.43 -0.09 0.00 -3.07 0.00 0.00 36.82 36.51 3d75 h ILE 101 CO 0.01 0.72 -0.36 0.22 -0.69 0.00 0.00 178.15 178.04 3d75 h TYR 102 N 0.32 -1.02 -0.79 1.37 3.20 -1.02 0.17 116.97 119.20 3d75 h TYR 102 Ca -0.12 0.06 0.08 0.00 3.14 0.00 0.00 58.73 61.89 3d75 h TYR 102 Cb 1.68 0.50 -0.05 0.00 1.54 0.00 0.00 36.73 40.40 3d75 h TYR 102 CO 0.09 -0.41 0.51 -0.91 -1.64 0.00 0.00 178.16 175.81 3d75 h ASN 103 N -0.30 0.70 -0.02 -2.11 -0.26 -1.06 -1.05 115.58 111.48 3d75 h ASN 103 Ca 0.15 0.01 -0.03 0.00 -0.56 0.00 0.00 56.30 55.88 3d75 h ASN 103 Cb 0.56 -0.14 0.00 0.00 -1.06 0.00 0.00 38.32 37.68 3d75 h ASN 103 CO -0.53 0.43 -0.09 0.25 -1.06 0.00 0.00 177.43 176.43 3d75 h LEU 104 N 0.78 0.11 -0.84 1.61 5.85 -0.80 -1.73 115.31 120.29 3d75 h LEU 104 Ca 0.35 -0.65 0.10 0.00 0.84 0.00 0.00 57.88 58.53 3d75 h LEU 104 Cb 0.35 -0.03 -0.08 0.00 0.37 0.00 0.00 40.66 41.27 3d75 h LEU 104 CO -0.13 0.74 0.49 0.00 -0.34 0.00 0.00 178.44 179.20 3d75 h ALA 105 N 0.37 1.22 -0.28 1.25 0.00 -0.28 0.46 119.26 122.00 3d75 h ALA 105 Ca -0.00 0.03 -0.06 0.00 0.00 0.00 0.00 54.91 54.88 3d75 h ALA 105 Cb 0.74 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.38 3d75 h ALA 105 CO 0.02 0.10 -0.07 -0.22 0.00 0.00 0.00 179.25 179.08 3d75 h LYS 106 N 0.80 0.54 -0.42 0.00 1.63 -1.17 0.17 116.57 118.13 3d75 h LYS 106 Ca 0.41 -0.21 0.00 0.00 -0.85 0.00 0.00 60.65 60.01 3d75 h LYS 106 Cb 0.39 -0.03 -0.02 0.00 -0.60 0.00 0.00 32.23 31.97 3d75 h LYS 106 CO -0.26 0.74 0.26 0.00 -3.45 0.00 0.00 179.45 176.75 3d75 h VAL 108 N 0.56 1.27 -0.92 0.00 2.07 -0.77 -2.32 116.25 116.14 3d75 h VAL 108 Ca 0.15 -0.98 0.03 0.00 0.82 0.00 0.00 66.70 66.72 3d75 h VAL 108 Cb -0.03 1.46 -0.05 0.00 -1.52 0.00 0.00 31.29 31.15 3d75 h VAL 108 CO -0.03 0.30 0.60 1.56 0.02 0.00 0.00 177.57 180.02 3d75 h GLN 109 N 0.17 1.15 -0.54 1.57 4.20 -0.53 1.37 115.11 122.50 3d75 h GLN 109 Ca 0.06 -0.07 -0.07 0.00 0.06 0.00 0.00 58.65 58.63 3d75 h GLN 109 Cb 0.47 -0.26 -0.02 0.00 0.30 0.00 0.00 27.48 27.97 3d75 h GLN 109 CO 0.02 0.76 0.04 0.93 -0.67 0.00 0.00 178.83 179.91 3d75 h GLU 110 N 1.18 0.92 0.08 1.46 3.07 -1.27 -3.29 114.58 116.73 3d75 h GLU 110 Ca 0.36 -0.27 -0.24 0.00 -0.50 0.00 0.00 59.36 58.71 3d75 h GLU 110 Cb -0.03 -0.09 -0.01 0.00 -0.84 0.00 0.00 28.75 27.77 3d75 h GLU 110 CO -0.11 0.91 -1.24 0.77 -1.40 0.00 0.00 179.01 177.95 3d75 h SER 111 N 0.80 0.27 -3.00 1.42 0.02 -0.74 -3.44 113.55 108.88 3d75 h SER 111 Ca 0.16 -0.81 -0.56 0.00 -0.84 0.00 0.00 61.79 59.74 3d75 h SER 111 Cb 0.47 -0.09 -0.40 0.00 0.14 0.00 0.00 62.40 62.52 3d75 h SER 111 CO 0.02 1.53 -0.77 0.00 -1.14 0.00 0.00 176.83 176.47 3d75 s ALA 112 N -2.43 1.14 0.36 3.77 0.00 0.46 -5.01 121.76 120.06 3d75 s ALA 112 Ca -0.21 -1.43 0.04 0.00 0.00 0.00 0.00 51.96 50.36 3d75 s ALA 112 Cb 0.04 -1.52 0.71 0.00 0.00 0.00 0.00 23.12 22.35 3d75 s ALA 112 CO 0.73 -1.66 2.00 -1.35 0.00 0.00 0.00 175.76 175.47 3d75 h PRO 113 N 8.21 0.75 0.00 0.00 0.11 -1.71 -3.01 132.00 136.34 3d75 h PRO 113 Ca -0.16 -0.04 -0.02 0.00 0.11 0.00 0.00 66.00 65.89 3d75 h PRO 113 Cb 1.01 -0.17 -0.00 0.00 0.11 0.00 0.00 31.00 31.95 3d75 h PRO 113 CO 0.46 0.49 -0.08 -0.44 -0.21 0.00 0.00 178.00 178.22 3d75 h ASP 114 N 0.77 0.00 0.09 -2.05 5.19 -1.93 -3.39 116.42 115.10 3d75 h ASP 114 Ca 0.25 0.00 -0.37 0.00 -0.62 0.00 0.00 57.03 56.29 3d75 h ASP 114 Cb 0.04 0.00 -0.05 0.00 0.18 0.00 0.00 39.33 39.50 3d75 h ASP 114 CO -0.07 0.08 -2.23 0.52 -3.12 0.00 0.00 179.24 174.42 3d75 n VAL 115 N -3.47 1.60 -3.07 -1.35 0.31 -1.14 -4.76 118.33 106.46 3d75 n VAL 115 Ca -0.02 -0.65 -0.45 0.00 -0.01 0.00 0.00 64.34 63.21 3d75 n VAL 115 Cb 0.22 -1.40 -0.02 0.00 -0.91 0.00 0.00 33.84 31.73 3d75 n VAL 115 CO 0.00 0.00 0.00 0.86 -1.32 0.00 0.00 176.83 176.37 3d75 s TRP 116 N -2.54 3.41 0.08 3.52 -0.11 -1.25 -5.00 118.94 117.05 3d75 s TRP 116 Ca -0.25 -1.72 0.02 0.00 1.22 0.00 0.00 56.10 55.37 3d75 s TRP 116 Cb 0.08 -4.13 -0.04 0.00 -1.50 0.00 0.00 33.47 27.88 3d75 s TRP 116 CO 0.71 -1.31 0.17 0.12 -4.62 0.00 0.00 176.95 172.02 3d75 s PHE 117 N 1.62 3.38 -0.09 5.86 2.19 -1.26 -4.81 117.98 124.87 3d75 s PHE 117 Ca 0.29 0.16 0.02 0.00 0.33 0.00 0.00 56.93 57.74 3d75 s PHE 117 Cb -0.06 -1.69 0.01 0.00 -1.31 0.00 0.00 43.02 39.97 3d75 s PHE 117 CO -0.08 0.55 -0.16 0.08 1.83 0.00 0.00 175.22 177.44 3d75 s VAL 118 N -1.50 1.45 -2.30 3.12 1.01 -1.26 -5.08 120.40 115.84 3d75 s VAL 118 Ca 0.33 -0.65 0.30 0.00 0.00 0.00 0.00 61.98 61.96 3d75 s VAL 118 Cb -0.12 -1.31 0.69 0.00 0.00 0.00 0.00 36.38 35.64 3d75 s VAL 118 CO 0.26 0.43 1.94 -0.38 0.00 0.00 0.00 175.10 177.34