#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2g4s n MET 1 N 0.00 0.57 -1.76 0.00 2.00 -1.26 -5.09 117.12 111.59 2g4s n MET 1 Ca 0.00 -2.01 -0.41 0.00 0.00 0.00 0.00 57.70 55.28 2g4s n MET 1 Cb 0.00 -0.24 -0.01 0.00 0.00 0.00 0.00 33.22 32.98 2g4s n MET 1 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 175.97 174.06 2g4s n GLU 2 N -1.95 2.64 -2.31 0.03 2.13 -1.26 -5.01 120.64 114.92 2g4s n GLU 2 Ca 0.11 0.93 -0.26 0.00 0.66 0.00 0.00 57.16 58.60 2g4s n GLU 2 Cb 0.40 -2.67 0.13 0.00 0.27 0.00 0.00 31.44 29.57 2g4s n GLU 2 CO 0.00 0.00 0.00 -1.25 -0.41 0.00 0.00 177.13 175.47 2g4s s PRO 3 N -1.51 1.34 0.08 5.31 0.04 -1.26 -4.55 135.00 134.45 2g4s s PRO 3 Ca 0.57 -0.77 -0.27 0.00 0.04 0.00 0.00 61.00 60.58 2g4s s PRO 3 Cb -0.49 -2.14 -0.15 0.00 0.04 0.00 0.00 34.50 31.77 2g4s s PRO 3 CO 0.58 -1.79 0.62 0.94 0.04 0.00 0.00 177.00 177.40 2g4s n GLN 4 N -3.19 0.00 -4.91 4.56 7.27 -1.08 -4.57 117.38 115.46 2g4s n GLN 4 Ca 0.14 0.00 -0.32 0.00 0.07 0.00 0.00 57.00 56.90 2g4s n GLN 4 Cb 0.60 -0.98 -0.14 0.00 2.41 0.00 0.00 30.24 32.13 2g4s n GLN 4 CO 0.00 0.00 0.00 0.54 0.07 0.00 0.00 177.06 177.67 2g4s s VAL 5 N -0.41 2.71 -0.26 1.69 0.11 -0.61 -4.83 120.40 118.79 2g4s s VAL 5 Ca 0.61 -0.99 -0.09 0.00 -2.93 0.00 0.00 61.98 58.58 2g4s s VAL 5 Cb -0.86 -2.06 -0.04 0.00 -1.53 0.00 0.00 36.38 31.88 2g4s s VAL 5 CO 0.45 0.50 0.13 -0.89 -3.33 0.00 0.00 175.10 171.95 2g4s s THR 6 N -0.77 4.87 -0.39 5.04 2.01 -0.53 -0.81 115.64 125.06 2g4s s THR 6 Ca 0.12 0.02 -0.14 0.00 0.31 0.00 0.00 61.69 62.00 2g4s s THR 6 Cb -0.10 -3.29 0.01 0.00 0.01 0.00 0.00 72.50 69.12 2g4s s THR 6 CO 0.02 0.31 0.28 -0.76 -0.69 0.00 0.00 174.62 173.77 2g4s s LEU 7 N 1.55 4.91 -0.48 4.42 1.43 -0.36 -0.80 118.68 129.35 2g4s s LEU 7 Ca 0.06 -0.76 -0.17 0.00 -1.03 0.00 0.00 54.13 52.23 2g4s s LEU 7 Cb -0.15 -2.15 0.06 0.00 0.03 0.00 0.00 46.19 43.99 2g4s s LEU 7 CO 0.07 -0.38 0.48 0.20 0.23 0.00 0.00 176.35 176.95 2g4s s ASN 8 N 1.69 6.18 -0.24 2.29 0.01 -0.46 -0.11 114.94 124.29 2g4s s ASN 8 Ca 0.05 -1.13 -0.03 0.00 -0.71 0.00 0.00 52.86 51.05 2g4s s ASN 8 Cb -0.19 -2.23 0.01 0.00 0.41 0.00 0.00 41.25 39.26 2g4s s ASN 8 CO 0.10 -0.73 -0.05 -0.69 -1.51 0.00 0.00 177.10 174.22 2g4s s VAL 9 N 2.04 3.09 -0.18 1.60 1.01 0.69 -1.30 120.40 127.35 2g4s s VAL 9 Ca 0.09 -0.84 -0.14 0.00 0.00 0.00 0.00 61.98 61.08 2g4s s VAL 9 Cb -0.22 -2.51 -0.04 0.00 0.00 0.00 0.00 36.38 33.60 2g4s s VAL 9 CO 0.09 0.26 0.32 -0.89 0.00 0.00 0.00 175.10 174.88 2g4s s THR 10 N 1.38 5.27 -0.25 3.92 2.01 -0.54 -1.35 115.64 126.09 2g4s s THR 10 Ca 0.02 0.57 0.01 0.00 0.31 0.00 0.00 61.69 62.60 2g4s s THR 10 Cb -0.16 -3.66 0.07 0.00 0.01 0.00 0.00 72.50 68.76 2g4s s THR 10 CO -0.04 0.33 -0.03 0.12 -0.69 0.00 0.00 174.62 174.31 2g4s s PHE 11 N 0.84 2.44 0.00 4.92 5.36 0.19 -0.39 117.98 131.34 2g4s s PHE 11 Ca 0.17 -1.84 0.00 0.00 -0.96 0.00 0.00 56.93 54.29 2g4s s PHE 11 Cb -0.14 -1.68 0.00 0.00 -0.34 0.00 0.00 43.02 40.86 2g4s s PHE 11 CO 0.05 -0.79 0.00 1.63 -1.46 0.00 0.00 175.22 174.65 2g4s n LYS 12 N 4.65 0.00 -0.68 10.12 5.02 -1.26 -1.64 118.16 134.38 2g4s n LYS 12 Ca -0.10 0.00 0.08 0.00 -2.02 0.00 0.00 58.31 56.27 2g4s n LYS 12 Cb 0.44 0.00 0.35 0.00 -0.02 0.00 0.00 35.03 35.80 2g4s n LYS 12 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 2g4s n ASN 13 N 8.41 4.94 -4.37 4.39 4.13 -1.26 -4.90 115.26 126.59 2g4s n ASN 13 Ca 0.00 -2.69 -0.32 0.00 1.68 0.00 0.00 54.58 53.25 2g4s n ASN 13 Cb 0.00 -0.60 -0.15 0.00 -1.54 0.00 0.00 39.78 37.49 2g4s n ASN 13 CO 0.00 0.00 0.00 -0.70 0.28 0.00 0.00 177.26 176.84 2g4s s GLU 14 N -2.29 2.64 -0.04 3.52 2.12 -0.65 -5.12 118.70 118.88 2g4s s GLU 14 Ca 0.50 -0.79 0.03 0.00 0.36 0.00 0.00 54.97 55.07 2g4s s GLU 14 Cb 0.35 -2.32 0.01 0.00 0.26 0.00 0.00 34.13 32.43 2g4s s GLU 14 CO 0.19 0.46 -0.11 -1.50 -0.54 0.00 0.00 175.26 173.75 2g4s s ILE 15 N -0.33 1.01 -0.02 -3.70 2.07 -1.26 -0.64 121.20 118.33 2g4s s ILE 15 Ca 0.02 -0.46 0.05 0.00 -1.41 0.00 0.00 60.65 58.85 2g4s s ILE 15 Cb -0.13 -0.90 -0.01 0.00 0.13 0.00 0.00 42.46 41.56 2g4s s ILE 15 CO 0.02 0.31 -0.15 -1.10 -1.91 0.00 0.00 174.94 172.11 2g4s s GLN 16 N 0.32 1.30 -0.20 3.50 -0.21 -0.46 -4.96 119.66 118.95 2g4s s GLN 16 Ca -0.07 -0.54 -0.08 0.00 0.02 0.00 0.00 55.36 54.69 2g4s s GLN 16 Cb -0.11 -1.24 -0.04 0.00 1.00 0.00 0.00 33.01 32.62 2g4s s GLN 16 CO 0.02 0.31 0.07 -1.12 -2.12 0.00 0.00 175.29 172.44 2g4s s SER 17 N -0.27 5.54 -0.24 5.90 0.01 -1.26 -0.22 113.70 123.16 2g4s s SER 17 Ca 0.04 0.01 -0.07 0.00 1.31 0.00 0.00 55.95 57.24 2g4s s SER 17 Cb -0.07 -1.96 -0.03 0.00 0.21 0.00 0.00 66.02 64.17 2g4s s SER 17 CO -0.00 0.11 0.07 -0.36 0.41 0.00 0.00 173.24 173.46 2g4s s PHE 18 N 0.75 3.11 -0.10 2.43 0.40 0.84 -4.92 117.98 120.49 2g4s s PHE 18 Ca 0.04 -0.33 -0.27 0.00 -0.60 0.00 0.00 56.93 55.76 2g4s s PHE 18 Cb -0.13 -2.20 -0.02 0.00 0.51 0.00 0.00 43.02 41.17 2g4s s PHE 18 CO 0.02 -0.26 0.90 -0.51 0.70 0.00 0.00 175.22 176.07 2g4s s LEU 19 N 1.37 4.26 -0.30 -0.37 1.43 -1.26 -1.22 118.68 122.60 2g4s s LEU 19 Ca 0.05 1.40 0.03 0.00 -1.03 0.00 0.00 54.13 54.58 2g4s s LEU 19 Cb -0.15 -3.39 0.08 0.00 0.03 0.00 0.00 46.19 42.77 2g4s s LEU 19 CO 0.03 -0.34 -0.02 -0.69 0.23 0.00 0.00 176.35 175.57 2g4s s VAL 20 N 1.65 2.08 0.14 -1.59 1.01 0.01 -5.00 120.40 118.69 2g4s s VAL 20 Ca 0.44 -1.92 -0.18 0.00 0.00 0.00 0.00 61.98 60.32 2g4s s VAL 20 Cb -0.18 -2.39 -0.03 0.00 0.00 0.00 0.00 36.38 33.78 2g4s s VAL 20 CO 0.18 -0.34 1.79 0.28 0.00 0.00 0.00 175.10 177.01 2g4s h SER 21 N 7.73 0.30 -2.59 3.32 0.02 -1.94 -1.63 113.55 118.76 2g4s h SER 21 Ca -0.11 -0.00 -0.59 0.00 -0.84 0.00 0.00 61.79 60.24 2g4s h SER 21 Cb 1.03 -0.07 -0.39 0.00 0.14 0.00 0.00 62.40 63.11 2g4s h SER 21 CO 0.48 0.22 -0.88 -0.62 -1.14 0.00 0.00 176.83 174.89 2g4s s ASP 22 N -5.44 2.32 0.53 3.07 2.15 -1.26 -2.65 116.67 115.40 2g4s s ASP 22 Ca -0.13 -3.04 0.23 0.00 0.43 0.00 0.00 52.55 50.04 2g4s s ASP 22 Cb 0.10 -0.66 1.38 0.00 -0.30 0.00 0.00 42.92 43.43 2g4s s ASP 22 CO 0.70 -0.18 2.05 1.55 -0.17 0.00 0.00 175.17 179.12 2g4s h PRO 23 N 5.87 0.00 0.00 4.34 0.13 -1.80 0.12 132.00 140.66 2g4s h PRO 23 Ca 0.20 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.32 2g4s h PRO 23 Cb 0.89 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.02 2g4s h PRO 23 CO 0.42 0.00 -0.04 0.93 -0.23 0.00 0.00 178.00 179.08 2g4s h GLU 24 N 0.00 0.00 -0.84 0.86 5.08 -1.94 -1.87 114.58 115.87 2g4s h GLU 24 Ca 0.17 0.00 -0.21 0.00 -1.00 0.00 0.00 59.36 58.32 2g4s h GLU 24 Cb 0.70 0.00 -0.13 0.00 0.50 0.00 0.00 28.75 29.82 2g4s h GLU 24 CO -0.00 0.04 0.27 -1.71 -1.00 0.00 0.00 179.01 176.61 2g4s n ASN 25 N -3.17 4.18 -4.33 1.42 5.15 0.43 -4.95 115.26 113.99 2g4s n ASN 25 Ca -0.00 -3.02 -0.20 0.00 -0.60 0.00 0.00 54.58 50.76 2g4s n ASN 25 Cb 0.29 -0.71 -0.11 0.00 -0.53 0.00 0.00 39.78 38.72 2g4s n ASN 25 CO 0.00 0.00 0.00 0.42 1.40 0.00 0.00 177.26 179.08 2g4s s THR 26 N -2.52 1.73 0.20 -0.44 -4.23 -0.71 -5.01 115.64 104.66 2g4s s THR 26 Ca 0.44 -2.05 0.08 0.00 -1.18 0.00 0.00 61.69 58.99 2g4s s THR 26 Cb 0.36 -1.91 -0.04 0.00 1.34 0.00 0.00 72.50 72.24 2g4s s THR 26 CO 0.11 -0.47 -0.03 0.42 -0.54 0.00 0.00 174.62 174.11 2g4s s THR 27 N -2.53 3.50 0.31 3.99 -4.23 -1.26 -5.03 115.64 110.39 2g4s s THR 27 Ca 0.18 -1.60 -0.01 0.00 -1.18 0.00 0.00 61.69 59.09 2g4s s THR 27 Cb -0.03 -2.78 0.27 0.00 1.34 0.00 0.00 72.50 71.30 2g4s s THR 27 CO 0.06 -0.17 1.96 -0.25 -0.54 0.00 0.00 174.62 175.69 2g4s h TRP 28 N 2.58 1.00 -0.39 3.99 -0.00 -1.89 -1.44 115.95 119.80 2g4s h TRP 28 Ca -0.46 0.02 0.01 0.00 -0.00 0.00 0.00 58.89 58.46 2g4s h TRP 28 Cb 1.21 -0.34 -0.02 0.00 -0.00 0.00 0.00 29.16 30.02 2g4s h TRP 28 CO 0.64 0.61 0.26 0.00 -0.00 0.00 0.00 178.44 179.95 2g4s h ALA 29 N 1.51 1.76 -0.12 2.65 0.00 -1.95 -0.60 119.26 122.51 2g4s h ALA 29 Ca 0.31 -0.02 -0.09 0.00 0.00 0.00 0.00 54.91 55.10 2g4s h ALA 29 Cb -0.05 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.60 2g4s h ALA 29 CO -0.08 0.21 -0.30 -0.44 0.00 0.00 0.00 179.25 178.64 2g4s h ASP 30 N 0.49 0.46 0.01 0.00 3.32 -1.68 -2.36 116.42 116.67 2g4s h ASP 30 Ca 0.15 -0.58 -0.00 0.00 0.02 0.00 0.00 57.03 56.61 2g4s h ASP 30 Cb -0.00 -0.13 0.00 0.00 0.22 0.00 0.00 39.33 39.41 2g4s h ASP 30 CO -0.03 0.96 -0.01 0.40 -1.72 0.00 0.00 179.24 178.85 2g4s h ILE 31 N -0.02 1.01 -0.93 0.35 1.08 -1.23 -2.03 117.51 115.73 2g4s h ILE 31 Ca -0.00 -0.05 0.10 0.00 -0.39 0.00 0.00 64.86 64.52 2g4s h ILE 31 Cb 0.91 1.04 -0.07 0.00 -3.07 0.00 0.00 36.82 35.63 2g4s h ILE 31 CO 0.06 0.01 0.60 -0.33 -0.69 0.00 0.00 178.15 177.81 2g4s h GLU 32 N -0.04 0.91 -0.61 2.37 5.08 -1.18 -2.20 114.58 118.91 2g4s h GLU 32 Ca -0.00 -0.06 -0.09 0.00 -1.00 0.00 0.00 59.36 58.22 2g4s h GLU 32 Cb 0.03 -0.21 -0.02 0.00 0.50 0.00 0.00 28.75 29.05 2g4s h GLU 32 CO 0.00 0.61 0.04 0.00 -1.00 0.00 0.00 179.01 178.66 2g4s h ALA 33 N 1.54 0.82 -0.55 3.43 0.00 -1.14 -1.66 119.26 121.69 2g4s h ALA 33 Ca 0.44 -0.29 -0.02 0.00 0.00 0.00 0.00 54.91 55.04 2g4s h ALA 33 Cb 0.41 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.95 2g4s h ALA 33 CO -0.20 0.63 0.27 1.98 0.00 0.00 0.00 179.25 181.94 2g4s h MET 34 N 0.96 0.79 -0.78 0.00 1.85 -1.00 -1.68 114.93 115.07 2g4s h MET 34 Ca 0.18 -0.11 -0.03 0.00 -0.61 0.00 0.00 59.70 59.13 2g4s h MET 34 Cb 0.51 -0.14 -0.04 0.00 0.43 0.00 0.00 31.60 32.36 2g4s h MET 34 CO 0.02 0.64 0.39 0.28 -0.40 0.00 0.00 176.91 177.84 2g4s h VAL 35 N 0.74 1.24 -0.45 -5.77 2.07 -1.37 -0.92 116.25 111.79 2g4s h VAL 35 Ca 0.19 -0.67 -0.14 0.00 0.82 0.00 0.00 66.70 66.90 2g4s h VAL 35 Cb 0.10 0.24 -0.01 0.00 -1.52 0.00 0.00 31.29 30.11 2g4s h VAL 35 CO -0.03 0.29 -0.28 0.11 0.02 0.00 0.00 177.57 177.68 2g4s h LYS 36 N 1.10 0.99 -0.25 1.57 1.57 -0.96 -2.08 116.57 118.51 2g4s h LYS 36 Ca 0.27 -0.46 -0.10 0.00 -1.87 0.00 0.00 60.65 58.50 2g4s h LYS 36 Cb 0.10 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.38 2g4s h LYS 36 CO -0.04 1.13 -0.26 0.28 -0.57 0.00 0.00 179.45 180.00 2g4s h VAL 37 N 0.83 1.27 -0.17 0.50 2.07 -1.25 0.09 116.25 119.58 2g4s h VAL 37 Ca 0.09 -1.28 -0.12 0.00 0.82 0.00 0.00 66.70 66.22 2g4s h VAL 37 Cb 0.87 1.36 0.00 0.00 -1.52 0.00 0.00 31.29 32.00 2g4s h VAL 37 CO 0.08 0.41 -0.35 0.28 0.02 0.00 0.00 177.57 178.01 2g4s h SER 38 N 0.43 0.61 -0.19 0.57 0.02 -0.92 -3.32 113.55 110.74 2g4s h SER 38 Ca 0.06 -0.55 0.00 0.00 -0.84 0.00 0.00 61.79 60.46 2g4s h SER 38 Cb 0.68 -0.17 0.00 0.00 0.14 0.00 0.00 62.40 63.04 2g4s h SER 38 CO 0.05 1.05 0.00 0.49 -1.14 0.00 0.00 176.83 177.28 2g4s n PHE 39 N -4.32 0.23 -3.37 3.45 3.01 -0.80 -5.00 117.46 110.67 2g4s n PHE 39 Ca -0.06 -0.14 -0.16 0.00 1.01 0.00 0.00 57.45 58.09 2g4s n PHE 39 Cb 0.50 -0.00 0.08 0.00 -0.01 0.00 0.00 39.48 40.06 2g4s n PHE 39 CO 0.00 0.00 0.00 -3.47 1.01 0.00 0.00 176.76 174.30 2g4s n ASP 40 N 1.19 -3.40 -4.51 4.37 2.03 -0.06 -5.03 116.55 111.14 2g4s n ASP 40 Ca 0.14 -0.64 -0.26 0.00 0.52 0.00 0.00 54.79 54.55 2g4s n ASP 40 Cb 0.52 -5.12 -0.10 0.00 -0.72 0.00 0.00 41.12 35.70 2g4s n ASP 40 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 2g4s s LEU 41 N -6.04 2.75 -0.02 -2.67 1.43 -0.74 -5.05 118.68 108.33 2g4s s LEU 41 Ca 0.14 -0.77 -0.08 0.00 -1.03 0.00 0.00 54.13 52.39 2g4s s LEU 41 Cb -0.02 -1.39 -0.03 0.00 0.03 0.00 0.00 46.19 44.78 2g4s s LEU 41 CO 0.73 0.08 -0.15 -3.20 0.23 0.00 0.00 176.35 174.04 2g4s n ASN 42 N -0.15 1.40 -4.44 2.29 2.85 -1.26 -4.71 115.26 111.24 2g4s n ASN 42 Ca -0.10 0.21 -0.36 0.00 -0.11 0.00 0.00 54.58 54.22 2g4s n ASN 42 Cb 0.57 -0.50 -0.13 0.00 1.24 0.00 0.00 39.78 40.96 2g4s n ASN 42 CO 0.00 0.00 0.00 -0.89 -2.11 0.00 0.00 177.26 174.26 2g4s s THR 43 N -2.32 4.24 0.29 -0.44 2.01 -1.26 -5.06 115.64 113.10 2g4s s THR 43 Ca -0.12 -0.20 0.06 0.00 0.31 0.00 0.00 61.69 61.74 2g4s s THR 43 Cb 0.02 -2.97 -0.06 0.00 0.01 0.00 0.00 72.50 69.50 2g4s s THR 43 CO 0.18 0.36 -0.03 0.27 -0.69 0.00 0.00 174.62 174.70 2g4s s ILE 44 N 1.52 1.57 -0.05 1.82 -4.36 -1.26 -0.73 121.20 119.72 2g4s s ILE 44 Ca 0.06 -2.09 -0.00 0.00 -0.26 0.00 0.00 60.65 58.35 2g4s s ILE 44 Cb -0.15 -2.54 0.03 0.00 1.25 0.00 0.00 42.46 41.04 2g4s s ILE 44 CO 0.03 -0.23 -0.01 -1.58 0.24 0.00 0.00 174.94 173.39 2g4s s GLN 45 N -3.76 0.56 -0.06 0.37 2.00 0.32 -4.79 119.66 114.30 2g4s s GLN 45 Ca 0.31 0.05 0.02 0.00 -2.00 0.00 0.00 55.36 53.74 2g4s s GLN 45 Cb 0.05 -0.78 -0.03 0.00 0.80 0.00 0.00 33.01 33.05 2g4s s GLN 45 CO 0.13 -0.19 -0.09 0.42 -0.50 0.00 0.00 175.29 175.06 2g4s s ILE 46 N 1.42 3.54 0.13 -2.34 1.01 -1.26 -1.35 121.20 122.34 2g4s s ILE 46 Ca -0.04 -0.57 0.05 0.00 0.00 0.00 0.00 60.65 60.09 2g4s s ILE 46 Cb -0.13 -2.44 -0.04 0.00 0.01 0.00 0.00 42.46 39.85 2g4s s ILE 46 CO -0.03 0.57 -0.11 -0.54 0.00 0.00 0.00 174.94 174.84 2g4s s LYS 47 N -0.86 1.00 0.02 2.79 1.02 -0.36 -2.02 119.74 121.33 2g4s s LYS 47 Ca 0.13 -1.33 -0.03 0.00 0.02 0.00 0.00 55.97 54.76 2g4s s LYS 47 Cb -0.11 -0.67 -0.01 0.00 -0.52 0.00 0.00 37.83 36.51 2g4s s LYS 47 CO 0.02 0.10 0.04 1.52 -0.92 0.00 0.00 175.35 176.11 2g4s s TYR 48 N -2.81 0.21 -0.25 3.18 -0.85 -0.46 -0.94 117.35 115.42 2g4s s TYR 48 Ca 0.12 -0.45 -0.29 0.00 -0.52 0.00 0.00 57.07 55.93 2g4s s TYR 48 Cb -0.01 -0.15 0.01 0.00 0.38 0.00 0.00 41.96 42.18 2g4s s TYR 48 CO 0.01 -0.27 1.14 -1.17 -1.52 0.00 0.00 175.55 173.74 2g4s s LEU 49 N -1.70 4.03 0.00 -3.49 2.96 -1.00 -1.09 118.68 118.39 2g4s s LEU 49 Ca -0.12 1.32 0.03 0.00 -0.22 0.00 0.00 54.13 55.15 2g4s s LEU 49 Cb -0.06 -3.54 0.07 0.00 0.50 0.00 0.00 46.19 43.16 2g4s s LEU 49 CO -0.02 -0.82 0.54 -0.90 -1.32 0.00 0.00 176.35 173.84 2g4s n ASP 50 N 6.75 1.09 0.26 3.68 5.68 -0.70 -4.77 116.55 128.54 2g4s n ASP 50 Ca 0.13 -1.84 0.13 0.00 -0.50 0.00 0.00 54.79 52.71 2g4s n ASP 50 Cb 0.46 -0.32 0.70 0.00 -1.14 0.00 0.00 41.12 40.82 2g4s n ASP 50 CO 0.00 0.00 0.00 -0.33 -1.33 0.00 0.00 177.20 175.54 2g4s h GLU 51 N 0.00 0.00 -0.06 0.11 5.08 -1.96 0.11 114.58 117.86 2g4s h GLU 51 Ca -0.18 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.18 2g4s h GLU 51 Cb 0.76 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.01 2g4s h GLU 51 CO 0.23 0.13 0.00 0.39 -1.00 0.00 0.00 179.01 178.76 2g4s n GLU 52 N -3.55 1.17 -3.41 2.33 1.02 -1.26 -4.90 120.64 112.03 2g4s n GLU 52 Ca -0.01 -0.26 -0.25 0.00 -0.02 0.00 0.00 57.16 56.62 2g4s n GLU 52 Cb 0.27 -1.16 0.03 0.00 -0.02 0.00 0.00 31.44 30.56 2g4s n GLU 52 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 2g4s n ASN 53 N -0.39 -5.40 -4.44 1.62 3.02 0.37 -4.98 115.26 105.06 2g4s n ASN 53 Ca 0.07 -0.47 -0.32 0.00 -0.03 0.00 0.00 54.58 53.83 2g4s n ASN 53 Cb 0.09 -4.34 -0.14 0.00 -0.61 0.00 0.00 39.78 34.78 2g4s n ASN 53 CO 0.00 0.00 0.00 -0.70 -2.62 0.00 0.00 177.26 173.94 2g4s s GLU 54 N -6.11 2.47 -0.22 3.52 2.56 -1.26 -4.85 118.70 114.82 2g4s s GLU 54 Ca 0.47 -0.74 -0.29 0.00 0.00 0.00 0.00 54.97 54.41 2g4s s GLU 54 Cb -0.22 -2.33 0.01 0.00 2.00 0.00 0.00 34.13 33.59 2g4s s GLU 54 CO 0.58 0.59 1.03 -1.21 -0.56 0.00 0.00 175.26 175.69 2g4s s GLU 55 N -0.66 4.27 -0.00 4.30 0.41 -1.26 -1.71 118.70 124.05 2g4s s GLU 55 Ca 0.10 1.36 0.04 0.00 -0.41 0.00 0.00 54.97 56.06 2g4s s GLU 55 Cb -0.11 -3.63 -0.01 0.00 -1.78 0.00 0.00 34.13 28.60 2g4s s GLU 55 CO 0.01 -0.60 -0.14 0.14 -0.49 0.00 0.00 175.26 174.17 2g4s s VAL 56 N 3.10 1.11 0.31 2.63 -7.23 -0.25 -4.83 120.40 115.24 2g4s s VAL 56 Ca 0.44 -0.65 -0.29 0.00 -1.81 0.00 0.00 61.98 59.67 2g4s s VAL 56 Cb -0.15 -0.94 -0.10 0.00 0.56 0.00 0.00 36.38 35.75 2g4s s VAL 56 CO 0.07 0.28 1.25 -0.44 -0.31 0.00 0.00 175.10 175.95 2g4s s SER 57 N -0.43 6.91 -0.25 4.85 0.01 -1.26 -1.36 113.70 122.17 2g4s s SER 57 Ca 0.05 2.56 -0.05 0.00 1.31 0.00 0.00 55.95 59.82 2g4s s SER 57 Cb -0.06 -2.64 -0.00 0.00 0.21 0.00 0.00 66.02 63.53 2g4s s SER 57 CO -0.00 -0.43 0.01 -0.63 0.41 0.00 0.00 173.24 172.60 2g4s s ILE 58 N -1.06 3.67 0.00 1.44 1.01 -0.86 -4.94 121.20 120.46 2g4s s ILE 58 Ca 0.48 -0.56 0.00 0.00 0.00 0.00 0.00 60.65 60.58 2g4s s ILE 58 Cb -0.38 -2.77 0.00 0.00 0.01 0.00 0.00 42.46 39.33 2g4s s ILE 58 CO 0.49 0.28 0.48 0.59 0.00 0.00 0.00 174.94 176.78 2g4s n ASN 59 N 4.83 0.80 -3.66 3.58 3.02 -1.26 -4.37 115.26 118.20 2g4s n ASN 59 Ca -0.16 -1.22 -0.10 0.00 -0.03 0.00 0.00 54.58 53.07 2g4s n ASN 59 Cb 0.50 0.00 -0.03 0.00 -0.61 0.00 0.00 39.78 39.64 2g4s n ASN 59 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 2g4s s SER 60 N -0.22 -0.37 0.15 6.41 1.04 -1.26 -5.03 113.70 114.42 2g4s s SER 60 Ca 0.00 -0.35 -0.16 0.00 0.48 0.00 0.00 55.95 55.92 2g4s s SER 60 Cb 0.00 0.63 0.06 0.00 0.10 0.00 0.00 66.02 66.80 2g4s s SER 60 CO 0.00 -1.10 1.75 -0.61 0.98 0.00 0.00 173.24 174.26 2g4s h GLN 61 N 2.08 0.27 -0.18 4.02 5.75 -1.99 -1.69 115.11 123.37 2g4s h GLN 61 Ca -0.28 -0.02 0.05 0.00 -0.15 0.00 0.00 58.65 58.26 2g4s h GLN 61 Cb 1.28 -0.06 -0.06 0.00 1.07 0.00 0.00 27.48 29.71 2g4s h GLN 61 CO 0.34 0.18 -0.20 0.78 -2.65 0.00 0.00 178.83 177.28 2g4s h GLY 62 N 0.28 -0.13 1.02 2.39 0.00 -1.99 -0.75 103.07 103.89 2g4s h GLY 62 Ca 0.16 0.25 -0.01 0.00 0.00 0.00 0.00 47.33 47.73 2g4s h GLY 62 CO -0.16 -0.18 0.53 0.83 0.00 0.00 0.00 176.54 177.56 2g4s h GLU 63 N -0.23 1.25 -0.24 4.80 5.08 -1.90 -1.94 114.58 121.41 2g4s h GLU 63 Ca 0.12 -0.13 0.03 0.00 -1.00 0.00 0.00 59.36 58.38 2g4s h GLU 63 Cb 0.40 -0.26 -0.03 0.00 0.50 0.00 0.00 28.75 29.36 2g4s h GLU 63 CO -0.31 0.89 0.04 -0.92 -1.00 0.00 0.00 179.01 177.71 2g4s h TYR 64 N 1.27 0.06 -0.29 4.33 3.20 -0.79 -1.46 116.97 123.29 2g4s h TYR 64 Ca 0.33 0.01 -0.05 0.00 3.14 0.00 0.00 58.73 62.16 2g4s h TYR 64 Cb -0.02 0.01 -0.02 0.00 1.54 0.00 0.00 36.73 38.24 2g4s h TYR 64 CO 0.01 0.01 -0.03 0.93 -1.64 0.00 0.00 178.16 177.44 2g4s h GLU 65 N 0.13 0.45 -0.53 1.82 5.08 -0.61 -1.51 114.58 119.40 2g4s h GLU 65 Ca 0.11 -0.10 -0.09 0.00 -1.00 0.00 0.00 59.36 58.28 2g4s h GLU 65 Cb 0.11 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.28 2g4s h GLU 65 CO -0.15 0.50 -0.02 0.93 -1.00 0.00 0.00 179.01 179.27 2g4s h GLU 66 N 0.43 0.95 -0.93 2.33 4.39 -1.19 -2.28 114.58 118.29 2g4s h GLU 66 Ca 0.09 -0.31 0.05 0.00 0.34 0.00 0.00 59.36 59.53 2g4s h GLU 66 Cb 0.33 -0.08 -0.06 0.00 -0.10 0.00 0.00 28.75 28.84 2g4s h GLU 66 CO 0.01 0.97 0.60 0.00 -1.16 0.00 0.00 179.01 179.43 2g4s h ALA 67 N 0.94 1.27 -0.32 3.43 0.00 -0.74 -2.84 119.26 121.00 2g4s h ALA 67 Ca 0.15 -0.02 -0.13 0.00 0.00 0.00 0.00 54.91 54.90 2g4s h ALA 67 Cb 0.56 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 2g4s h ALA 67 CO 0.03 0.40 -0.34 -0.07 0.00 0.00 0.00 179.25 179.27 2g4s h LEU 68 N 1.11 0.75 -0.94 0.00 3.38 -1.14 -1.20 115.31 117.27 2g4s h LEU 68 Ca 0.39 -0.31 0.13 0.00 0.09 0.00 0.00 57.88 58.18 2g4s h LEU 68 Cb 0.12 -0.21 -0.09 0.00 0.09 0.00 0.00 40.66 40.57 2g4s h LEU 68 CO -0.16 1.02 0.56 0.11 0.09 0.00 0.00 178.44 180.07 2g4s h LYS 69 N 0.60 0.84 -0.23 1.13 1.57 -1.25 -1.77 116.57 117.46 2g4s h LYS 69 Ca 0.06 -0.05 -0.17 0.00 -1.87 0.00 0.00 60.65 58.63 2g4s h LYS 69 Cb 0.86 -0.19 -0.00 0.00 0.08 0.00 0.00 32.23 32.98 2g4s h LYS 69 CO 0.08 0.56 -0.53 1.98 -0.57 0.00 0.00 179.45 180.96 2g4s h MET 70 N 0.87 0.67 -0.41 3.15 4.05 -1.30 -3.17 114.93 118.79 2g4s h MET 70 Ca 0.48 -0.42 -0.01 0.00 -0.28 0.00 0.00 59.70 59.47 2g4s h MET 70 Cb 0.53 0.04 -0.02 0.00 -0.80 0.00 0.00 31.60 31.35 2g4s h MET 70 CO -0.29 1.03 0.22 0.00 0.23 0.00 0.00 176.91 178.11 2g4s h ALA 71 N 0.88 1.62 -0.29 0.39 0.00 -0.40 -1.63 119.26 119.83 2g4s h ALA 71 Ca 0.01 -0.07 -0.06 0.00 0.00 0.00 0.00 54.91 54.80 2g4s h ALA 71 Cb 1.10 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.70 2g4s h ALA 71 CO 0.11 0.32 -0.06 0.28 0.00 0.00 0.00 179.25 179.90 2g4s h VAL 72 N 0.57 1.20 0.00 0.00 2.07 -1.34 0.42 116.25 119.17 2g4s h VAL 72 Ca 0.15 -0.86 -0.08 0.00 0.82 0.00 0.00 66.70 66.73 2g4s h VAL 72 Cb 0.02 1.06 -0.01 0.00 -1.52 0.00 0.00 31.29 30.84 2g4s h VAL 72 CO -0.02 0.28 -0.40 0.11 0.02 0.00 0.00 177.57 177.56 2g4s h LYS 73 N 0.44 0.00 -1.58 1.57 1.57 -1.33 -3.36 116.57 113.88 2g4s h LYS 73 Ca 0.09 0.00 -0.66 0.00 -1.87 0.00 0.00 60.65 58.21 2g4s h LYS 73 Cb 0.39 0.00 -0.35 0.00 0.08 0.00 0.00 32.23 32.35 2g4s h LYS 73 CO 0.02 0.40 0.07 1.04 -0.57 0.00 0.00 179.45 180.41 2g4s n GLN 74 N -3.46 3.13 -2.77 3.15 6.02 -0.67 -4.88 117.38 117.91 2g4s n GLN 74 Ca 0.00 -4.00 -0.18 0.00 -0.01 0.00 0.00 57.00 52.81 2g4s n GLN 74 Cb 0.55 -2.26 0.02 0.00 1.02 0.00 0.00 30.24 29.57 2g4s n GLN 74 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2g4s n GLY 75 N -0.56 -0.30 3.63 1.08 0.00 -1.20 -3.67 105.19 104.17 2g4s n GLY 75 Ca 0.47 -0.07 -0.23 0.00 0.00 0.00 0.00 46.02 46.20 2g4s n GLY 75 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2g4s n ASN 76 N -1.63 -4.18 -3.69 1.61 3.02 0.14 -4.95 115.26 105.59 2g4s n ASN 76 Ca -0.11 -0.65 -0.11 0.00 -0.03 0.00 0.00 54.58 53.67 2g4s n ASN 76 Cb 0.61 -4.70 -0.06 0.00 -0.61 0.00 0.00 39.78 35.02 2g4s n ASN 76 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2g4s s GLN 77 N -6.08 0.94 -0.01 3.52 -2.07 -1.22 -1.46 119.66 113.29 2g4s s GLN 77 Ca 0.36 -0.55 0.03 0.00 -1.82 0.00 0.00 55.36 53.38 2g4s s GLN 77 Cb -0.17 0.41 -0.01 0.00 -1.09 0.00 0.00 33.01 32.16 2g4s s GLN 77 CO 0.76 -0.33 -0.10 -0.51 -1.32 0.00 0.00 175.29 173.79 2g4s s LEU 78 N -2.34 1.96 -0.26 2.60 1.43 0.02 -4.60 118.68 117.48 2g4s s LEU 78 Ca -0.02 -0.19 -0.10 0.00 -1.03 0.00 0.00 54.13 52.80 2g4s s LEU 78 Cb 0.01 -0.55 -0.04 0.00 0.03 0.00 0.00 46.19 45.63 2g4s s LEU 78 CO -0.06 0.11 0.14 -1.10 0.23 0.00 0.00 176.35 175.67 2g4s s GLN 79 N -0.14 3.85 0.06 1.70 -1.52 -1.26 -1.36 119.66 121.00 2g4s s GLN 79 Ca 0.02 -0.37 0.07 0.00 -1.95 0.00 0.00 55.36 53.13 2g4s s GLN 79 Cb -0.05 -3.52 -0.03 0.00 -0.22 0.00 0.00 33.01 29.19 2g4s s GLN 79 CO -0.00 -0.15 -0.20 -1.64 -0.25 0.00 0.00 175.29 173.05 2g4s s MET 80 N 1.62 1.23 -0.07 2.91 -1.94 -0.42 -2.39 119.30 120.24 2g4s s MET 80 Ca 0.07 -0.98 0.03 0.00 -1.71 0.00 0.00 55.69 53.10 2g4s s MET 80 Cb -0.15 -1.37 0.00 0.00 2.01 0.00 0.00 34.83 35.32 2g4s s MET 80 CO 0.08 0.34 -0.18 -1.14 -0.01 0.00 0.00 175.02 174.11 2g4s s GLN 81 N -1.40 2.20 -0.11 2.03 2.00 -0.11 -1.46 119.66 122.81 2g4s s GLN 81 Ca 0.06 -0.63 -0.01 0.00 -2.00 0.00 0.00 55.36 52.78 2g4s s GLN 81 Cb -0.09 -1.76 -0.03 0.00 0.80 0.00 0.00 33.01 31.93 2g4s s GLN 81 CO 0.02 0.14 -0.06 0.08 -0.50 0.00 0.00 175.29 174.97 2g4s s VAL 82 N 0.39 3.75 0.04 1.34 1.01 0.47 -1.23 120.40 126.17 2g4s s VAL 82 Ca -0.13 -0.44 0.05 0.00 0.00 0.00 0.00 61.98 61.46 2g4s s VAL 82 Cb -0.16 -2.58 -0.02 0.00 0.00 0.00 0.00 36.38 33.62 2g4s s VAL 82 CO 0.05 0.55 -0.15 -1.00 0.00 0.00 0.00 175.10 174.56 2g4s s HIS 83 N -0.25 1.28 0.29 5.22 3.76 -0.46 -4.54 115.29 120.60 2g4s s HIS 83 Ca 0.04 -0.35 -0.08 0.00 -0.15 0.00 0.00 55.06 54.51 2g4s s HIS 83 Cb -0.13 -0.76 -0.06 0.00 1.11 0.00 0.00 32.58 32.74 2g4s s HIS 83 CO 0.02 0.04 0.61 -1.83 -0.85 0.00 0.00 174.74 172.73 2g4s s GLU 84 N -1.12 3.74 0.00 1.40 -1.05 -1.26 -0.53 118.70 119.88 2g4s s GLU 84 Ca 0.02 0.23 0.00 0.00 -0.15 0.00 0.00 54.97 55.08 2g4s s GLU 84 Cb -0.08 -2.58 0.00 0.00 -0.44 0.00 0.00 34.13 31.03 2g4s s GLU 84 CO 0.01 0.19 0.00 0.41 0.95 0.00 0.00 175.26 176.83