#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rjv n SER 2 N 0.00 -2.38 -3.67 6.12 7.64 -1.26 -5.09 113.62 114.98 1rjv n SER 2 Ca 0.00 -3.14 -0.42 0.00 1.01 0.00 0.00 58.87 56.33 1rjv n SER 2 Cb 0.00 1.34 -0.01 0.00 -1.01 0.00 0.00 64.21 64.53 1rjv n SER 2 CO 0.00 0.00 0.00 0.23 -3.01 0.00 0.00 175.04 172.26 1rjv n MET 3 N 1.78 2.65 0.00 1.43 2.00 -1.26 -1.45 117.12 122.27 1rjv n MET 3 Ca 0.13 -2.41 0.00 0.00 0.00 0.00 0.00 57.70 55.41 1rjv n MET 3 Cb 0.60 -3.17 0.00 0.00 0.00 0.00 0.00 33.22 30.65 1rjv n MET 3 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 175.97 178.38 1rjv n THR 4 N 5.14 0.00 -0.10 2.03 -1.04 -1.26 -4.80 114.28 114.25 1rjv n THR 4 Ca 0.53 0.00 -0.23 0.00 -2.04 0.00 0.00 64.05 62.31 1rjv n THR 4 Cb 0.38 0.00 -0.12 0.00 -1.82 0.00 0.00 70.33 68.77 1rjv n THR 4 CO 0.00 0.00 0.00 -0.67 -0.64 0.00 0.00 175.07 173.76 1rjv n ASP 5 N 0.00 1.98 -0.02 8.00 2.03 -0.53 -4.07 116.55 123.94 1rjv n ASP 5 Ca 0.00 0.21 -0.11 0.00 0.52 0.00 0.00 54.79 55.41 1rjv n ASP 5 Cb 0.00 -0.76 -0.09 0.00 -0.72 0.00 0.00 41.12 39.54 1rjv n ASP 5 CO 0.00 0.00 0.00 -0.07 -1.92 0.00 0.00 177.20 175.21 1rjv h LEU 6 N -0.51 -0.06-10.45 -2.67 3.38 -1.93 -3.46 115.31 99.61 1rjv h LEU 6 Ca -0.53 -0.59 -0.49 0.00 0.09 0.00 0.00 57.88 56.36 1rjv h LEU 6 Cb 1.71 0.02 0.07 0.00 0.09 0.00 0.00 40.66 42.54 1rjv h LEU 6 CO -0.18 0.65 0.30 -0.76 0.09 0.00 0.00 178.44 178.55 1rjv s LEU 7 N -8.68 3.08 -0.63 1.67 2.01 -1.26 -5.05 118.68 109.83 1rjv s LEU 7 Ca -0.14 0.96 -0.26 0.00 0.01 0.00 0.00 54.13 54.70 1rjv s LEU 7 Cb -0.01 -3.78 0.04 0.00 0.01 0.00 0.00 46.19 42.45 1rjv s LEU 7 CO 0.54 -1.18 1.10 0.20 1.01 0.00 0.00 176.35 178.02 1rjv s ASN 8 N -4.32 6.29 0.38 2.29 0.02 -1.26 -4.01 114.94 114.32 1rjv s ASN 8 Ca 0.56 -0.38 0.16 0.00 -1.02 0.00 0.00 52.86 52.18 1rjv s ASN 8 Cb -0.11 -2.49 1.03 0.00 0.02 0.00 0.00 41.25 39.70 1rjv s ASN 8 CO 0.49 -1.49 1.78 0.00 0.02 0.00 0.00 177.10 177.90 1rjv h ALA 9 N 9.60 2.11 -0.56 0.60 0.00 -1.87 0.02 119.26 129.16 1rjv h ALA 9 Ca -0.27 0.06 -0.03 0.00 0.00 0.00 0.00 54.91 54.67 1rjv h ALA 9 Cb 1.06 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.83 1rjv h ALA 9 CO 1.18 -0.50 0.22 0.93 0.00 0.00 0.00 179.25 181.09 1rjv h GLU 10 N 0.47 0.84 -0.39 0.00 5.08 -1.94 -1.06 114.58 117.58 1rjv h GLU 10 Ca 0.58 -0.15 -0.11 0.00 -1.00 0.00 0.00 59.36 58.67 1rjv h GLU 10 Cb 1.34 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 30.44 1rjv h GLU 10 CO -0.31 0.73 -0.22 -0.44 -1.00 0.00 0.00 179.01 177.78 1rjv h ASP 11 N 0.77 0.77 -0.78 1.42 3.32 -1.46 -2.93 116.42 117.53 1rjv h ASP 11 Ca 0.19 -0.27 0.09 0.00 0.02 0.00 0.00 57.03 57.05 1rjv h ASP 11 Cb 0.20 -0.21 -0.07 0.00 0.22 0.00 0.00 39.33 39.47 1rjv h ASP 11 CO -0.01 0.97 0.43 0.40 -1.72 0.00 0.00 179.24 179.31 1rjv h ILE 12 N 0.67 0.90 -0.65 0.35 5.03 -0.69 0.53 117.51 123.65 1rjv h ILE 12 Ca 0.09 -0.25 0.12 0.00 -0.12 0.00 0.00 64.86 64.70 1rjv h ILE 12 Cb 0.72 0.10 -0.09 0.00 -3.03 0.00 0.00 36.82 34.53 1rjv h ILE 12 CO 0.06 0.13 0.21 0.50 -0.68 0.00 0.00 178.15 178.36 1rjv h LYS 13 N 0.74 0.34 0.00 2.37 1.63 -1.01 0.72 116.57 121.36 1rjv h LYS 13 Ca 0.37 -0.02 -0.13 0.00 -0.85 0.00 0.00 60.65 60.03 1rjv h LYS 13 Cb 0.34 -0.08 -0.02 0.00 -0.60 0.00 0.00 32.23 31.88 1rjv h LYS 13 CO -0.24 0.23 -0.60 0.87 -3.45 0.00 0.00 179.45 176.26 1rjv h LYS 14 N 0.35 0.00 0.81 1.90 1.57 -1.33 -2.09 116.57 117.78 1rjv h LYS 14 Ca 0.35 0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 59.09 1rjv h LYS 14 Cb 0.50 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.82 1rjv h LYS 14 CO -0.38 0.60 -0.41 0.00 -0.57 0.00 0.00 179.45 178.68 1rjv h ALA 15 N 1.40 -1.29 -0.84 3.86 0.00 0.18 -2.60 119.26 119.97 1rjv h ALA 15 Ca -0.01 -0.24 0.09 0.00 0.00 0.00 0.00 54.91 54.75 1rjv h ALA 15 Cb 1.09 0.46 -0.06 0.00 0.00 0.00 0.00 17.79 19.28 1rjv h ALA 15 CO 0.08 -1.22 0.54 0.28 0.00 0.00 0.00 179.25 178.94 1rjv h VAL 16 N -1.12 0.97 0.00 0.00 2.07 -0.94 0.11 116.25 117.35 1rjv h VAL 16 Ca -0.11 -0.28 0.00 0.00 0.82 0.00 0.00 66.70 67.13 1rjv h VAL 16 Cb 0.86 0.08 0.00 0.00 -1.52 0.00 0.00 31.29 30.71 1rjv h VAL 16 CO 0.17 0.15 0.00 0.61 0.02 0.00 0.00 177.57 178.52 1rjv n GLY 17 N -1.43 -0.39 0.12 2.17 0.00 -0.79 -1.32 105.19 103.56 1rjv n GLY 17 Ca 0.14 -0.05 -0.16 0.00 0.00 0.00 0.00 46.02 45.95 1rjv n GLY 17 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1rjv n ALA 18 N -1.11 1.45 1.24 4.61 0.00 0.38 -4.48 120.51 122.60 1rjv n ALA 18 Ca 0.06 -1.15 0.13 0.00 0.00 0.00 0.00 53.44 52.47 1rjv n ALA 18 Cb 0.05 -0.13 0.31 0.00 0.00 0.00 0.00 19.45 19.68 1rjv n ALA 18 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 1rjv n PHE 19 N -3.15 0.00 -0.45 0.00 3.72 -1.08 -4.64 117.46 111.86 1rjv n PHE 19 Ca -0.43 0.00 -0.05 0.00 -0.05 0.00 0.00 57.45 56.92 1rjv n PHE 19 Cb 1.03 -0.05 -0.07 0.00 -0.94 0.00 0.00 39.48 39.45 1rjv n PHE 19 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 176.76 175.58 1rjv n SER 20 N -0.06 2.48 -0.56 4.37 3.41 -0.43 -4.70 113.62 118.13 1rjv n SER 20 Ca 0.14 -1.94 0.00 0.00 -0.26 0.00 0.00 58.87 56.81 1rjv n SER 20 Cb 0.40 -0.66 0.00 0.00 -0.26 0.00 0.00 64.21 63.70 1rjv n SER 20 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1rjv n ALA 21 N 2.68 0.00 -3.89 7.33 0.00 -1.26 -5.04 120.51 120.32 1rjv n ALA 21 Ca 0.18 0.00 -0.27 0.00 0.00 0.00 0.00 53.44 53.36 1rjv n ALA 21 Cb 0.42 0.00 -0.17 0.00 0.00 0.00 0.00 19.45 19.70 1rjv n ALA 21 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1rjv s THR 22 N -2.32 1.04 0.00 0.00 -4.23 -1.26 -4.64 115.64 104.22 1rjv s THR 22 Ca 0.00 -0.30 0.00 0.00 -1.18 0.00 0.00 61.69 60.21 1rjv s THR 22 Cb 0.00 -1.05 0.00 0.00 1.34 0.00 0.00 72.50 72.79 1rjv s THR 22 CO 0.00 0.37 0.00 -0.67 -0.54 0.00 0.00 174.62 173.78 1rjv n ASP 23 N 4.91 0.00 -1.41 3.99 2.03 -1.26 -4.86 116.55 119.94 1rjv n ASP 23 Ca -0.13 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.18 1rjv n ASP 23 Cb 0.50 -1.26 0.00 0.00 -0.72 0.00 0.00 41.12 39.64 1rjv n ASP 23 CO 0.00 0.00 0.00 -0.24 -1.92 0.00 0.00 177.20 175.04 1rjv n SER 24 N 0.00 4.78 -4.73 1.67 2.88 -1.26 -4.81 113.62 112.15 1rjv n SER 24 Ca 0.00 -2.30 -0.41 0.00 -1.33 0.00 0.00 58.87 54.83 1rjv n SER 24 Cb 0.00 -0.98 -0.03 0.00 -0.75 0.00 0.00 64.21 62.44 1rjv n SER 24 CO 0.00 0.00 0.00 0.12 -1.23 0.00 0.00 175.04 173.93 1rjv s PHE 25 N 0.04 3.31 -0.41 0.66 5.36 -1.26 -4.75 117.98 120.93 1rjv s PHE 25 Ca 0.00 1.23 0.07 0.00 -0.96 0.00 0.00 56.93 57.27 1rjv s PHE 25 Cb 0.00 -3.56 0.23 0.00 -0.34 0.00 0.00 43.02 39.35 1rjv s PHE 25 CO 0.00 -1.75 0.50 -3.47 -1.46 0.00 0.00 175.22 169.04 1rjv n ASP 26 N 2.92 -0.31 -0.12 6.13 -0.08 -1.26 -5.01 116.55 118.82 1rjv n ASP 26 Ca 0.07 -2.65 -0.08 0.00 -1.51 0.00 0.00 54.79 50.62 1rjv n ASP 26 Cb 0.43 -0.39 -0.02 0.00 2.34 0.00 0.00 41.12 43.49 1rjv n ASP 26 CO 0.00 0.00 0.00 1.12 0.12 0.00 0.00 177.20 178.44 1rjv h HIS 27 N 4.46 -0.93 0.03 -0.67 2.07 -1.95 0.20 115.15 118.35 1rjv h HIS 27 Ca 0.11 0.06 0.02 0.00 -2.85 0.00 0.00 60.37 57.70 1rjv h HIS 27 Cb 0.90 0.47 -0.05 0.00 2.57 0.00 0.00 27.41 31.30 1rjv h HIS 27 CO 0.31 -0.39 -0.49 1.57 -3.07 0.00 0.00 177.93 175.86 1rjv h LYS 28 N -0.26 -0.61 -0.52 5.12 2.10 -1.87 -0.08 116.57 120.44 1rjv h LYS 28 Ca 0.17 0.04 0.03 0.00 -2.00 0.00 0.00 60.65 58.89 1rjv h LYS 28 Cb 0.54 0.14 -0.04 0.00 -0.90 0.00 0.00 32.23 31.98 1rjv h LYS 28 CO -0.54 -0.41 0.30 -0.22 -2.00 0.00 0.00 179.45 176.58 1rjv h LYS 29 N -0.64 0.57 0.06 0.07 3.64 -1.69 0.11 116.57 118.69 1rjv h LYS 29 Ca 0.01 -0.03 0.01 0.00 -1.27 0.00 0.00 60.65 59.36 1rjv h LYS 29 Cb 0.67 -0.13 -0.02 0.00 -0.41 0.00 0.00 32.23 32.34 1rjv h LYS 29 CO -0.31 0.38 -0.25 0.35 -2.27 0.00 0.00 179.45 177.35 1rjv h PHE 30 N 0.59 -0.71 0.00 1.91 3.04 -0.59 0.14 116.94 121.32 1rjv h PHE 30 Ca 0.21 0.02 -0.00 0.00 3.98 0.00 0.00 57.97 62.18 1rjv h PHE 30 Cb 0.05 0.30 -0.00 0.00 2.56 0.00 0.00 35.95 38.87 1rjv h PHE 30 CO -0.07 -0.28 -0.01 0.74 -2.02 0.00 0.00 178.31 176.67 1rjv h PHE 31 N -0.35 0.00 0.10 0.41 -1.00 -0.45 0.11 116.94 115.75 1rjv h PHE 31 Ca -0.00 0.00 -0.00 0.00 2.81 0.00 0.00 57.97 60.77 1rjv h PHE 31 Cb 0.35 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.91 1rjv h PHE 31 CO -0.37 0.01 -0.05 1.96 -1.61 0.00 0.00 178.31 178.26 1rjv h GLN 32 N 0.00 -0.13 -0.95 1.51 4.20 -0.70 -1.52 115.11 117.53 1rjv h GLN 32 Ca -0.00 0.01 0.01 0.00 0.06 0.00 0.00 58.65 58.73 1rjv h GLN 32 Cb 0.03 0.03 -0.05 0.00 0.30 0.00 0.00 27.48 27.79 1rjv h GLN 32 CO 0.00 0.16 0.63 0.52 -0.67 0.00 0.00 178.83 179.47 1rjv h MET 33 N -1.00 1.25 0.00 1.46 2.86 -0.19 -1.09 114.93 118.22 1rjv h MET 33 Ca -0.01 -0.08 0.00 0.00 -2.06 0.00 0.00 59.70 57.55 1rjv h MET 33 Cb 0.34 -0.28 0.00 0.00 0.06 0.00 0.00 31.60 31.72 1rjv h MET 33 CO 0.02 0.83 0.00 1.55 1.06 0.00 0.00 176.91 180.37 1rjv n VAL 34 N -4.42 0.85 -1.16 -2.22 3.14 0.32 -4.74 118.33 110.11 1rjv n VAL 34 Ca 0.11 0.20 -0.05 0.00 -2.96 0.00 0.00 64.34 61.64 1rjv n VAL 34 Cb 0.01 -1.00 -0.02 0.00 -1.06 0.00 0.00 33.84 31.77 1rjv n VAL 34 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1rjv n GLY 35 N 0.16 0.71 0.39 7.55 0.00 -0.41 -4.55 105.19 109.04 1rjv n GLY 35 Ca 0.03 -0.22 -0.14 0.00 0.00 0.00 0.00 46.02 45.70 1rjv n GLY 35 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1rjv h LEU 36 N 0.00 -1.13 -0.99 0.99 3.38 -1.53 0.18 115.31 116.22 1rjv h LEU 36 Ca -0.11 0.12 0.00 0.00 0.09 0.00 0.00 57.88 57.98 1rjv h LEU 36 Cb 0.67 0.42 0.00 0.00 0.09 0.00 0.00 40.66 41.84 1rjv h LEU 36 CO 0.16 -0.47 0.57 0.11 0.09 0.00 0.00 178.44 178.90 1rjv h LYS 37 N -0.63 0.00 0.00 1.13 1.57 -1.89 0.91 116.57 117.66 1rjv h LYS 37 Ca 0.02 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.80 1rjv h LYS 37 Cb 0.65 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.96 1rjv h LYS 37 CO -0.21 0.00 -0.98 0.36 -0.57 0.00 0.00 179.45 178.04 1rjv n LYS 38 N -2.49 0.32 -2.31 3.15 2.85 0.59 -4.95 118.16 115.31 1rjv n LYS 38 Ca -0.01 0.01 -0.26 0.00 -1.05 0.00 0.00 58.31 57.00 1rjv n LYS 38 Cb 0.59 -1.62 0.12 0.00 -0.65 0.00 0.00 35.03 33.47 1rjv n LYS 38 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 177.40 177.50 1rjv s LYS 39 N -3.21 1.48 0.67 -1.58 -0.14 0.31 -5.09 119.74 112.18 1rjv s LYS 39 Ca 0.04 -0.71 -0.13 0.00 -1.36 0.00 0.00 55.97 53.80 1rjv s LYS 39 Cb 0.14 -2.15 -0.00 0.00 -1.68 0.00 0.00 37.83 34.14 1rjv s LYS 39 CO 0.79 -1.69 1.07 0.45 -0.76 0.00 0.00 175.35 175.21 1rjv s SER 40 N -4.73 5.35 0.35 2.83 0.15 -1.26 -4.93 113.70 111.46 1rjv s SER 40 Ca 0.67 1.77 0.09 0.00 0.70 0.00 0.00 55.95 59.18 1rjv s SER 40 Cb -0.06 -2.52 0.81 0.00 -1.71 0.00 0.00 66.02 62.54 1rjv s SER 40 CO 0.47 -1.46 1.87 0.00 1.20 0.00 0.00 173.24 175.32 1rjv h ALA 41 N -0.28 1.82 0.00 5.45 0.00 -1.97 -1.45 119.26 122.83 1rjv h ALA 41 Ca -0.45 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.46 1rjv h ALA 41 Cb 1.22 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.88 1rjv h ALA 41 CO 0.56 -0.06 -0.07 -0.44 0.00 0.00 0.00 179.25 179.24 1rjv h ASP 42 N 0.70 0.00 0.00 0.00 3.32 -2.00 -1.29 116.42 117.14 1rjv h ASP 42 Ca 0.44 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 57.46 1rjv h ASP 42 Cb 0.69 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.24 1rjv h ASP 42 CO -0.20 0.07 -0.20 -0.78 -1.72 0.00 0.00 179.24 176.41 1rjv h ASP 43 N 0.00 0.00 -0.64 6.45 1.82 -1.66 -3.34 116.42 119.05 1rjv h ASP 43 Ca -0.00 -0.73 0.15 0.00 -0.39 0.00 0.00 57.03 56.06 1rjv h ASP 43 Cb 0.32 0.00 -0.03 0.00 0.68 0.00 0.00 39.33 40.30 1rjv h ASP 43 CO 0.01 0.98 0.44 0.58 -1.61 0.00 0.00 179.24 179.64 1rjv h VAL 44 N -1.00 0.76 -0.29 2.25 2.07 -0.96 0.29 116.25 119.36 1rjv h VAL 44 Ca -0.05 -0.07 0.06 0.00 0.82 0.00 0.00 66.70 67.47 1rjv h VAL 44 Cb 0.87 0.55 -0.06 0.00 -1.52 0.00 0.00 31.29 31.13 1rjv h VAL 44 CO -0.03 0.04 -0.13 0.11 0.02 0.00 0.00 177.57 177.58 1rjv h LYS 45 N 0.19 -0.08 0.00 1.57 1.57 -1.40 -1.76 116.57 116.66 1rjv h LYS 45 Ca 0.31 0.01 -0.10 0.00 -1.87 0.00 0.00 60.65 59.00 1rjv h LYS 45 Cb 0.94 0.02 -0.01 0.00 0.08 0.00 0.00 32.23 33.25 1rjv h LYS 45 CO -0.05 -0.05 -0.45 0.87 -0.57 0.00 0.00 179.45 179.19 1rjv h LYS 46 N -0.08 0.00 0.49 3.15 6.56 -0.66 -2.23 116.57 123.80 1rjv h LYS 46 Ca 0.15 0.00 -0.02 0.00 -1.06 0.00 0.00 60.65 59.72 1rjv h LYS 46 Cb 0.31 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 31.97 1rjv h LYS 46 CO -0.35 0.45 -0.23 0.28 -2.06 0.00 0.00 179.45 177.54 1rjv h VAL 47 N 0.00 0.00 -0.99 0.50 2.07 -0.85 -3.02 116.25 113.96 1rjv h VAL 47 Ca -0.00 -0.04 0.21 0.00 0.82 0.00 0.00 66.70 67.68 1rjv h VAL 47 Cb 1.15 0.00 -0.11 0.00 -1.52 0.00 0.00 31.29 30.80 1rjv h VAL 47 CO 0.06 0.00 0.59 0.15 0.02 0.00 0.00 177.57 178.39 1rjv h PHE 48 N -0.69 1.03 0.00 1.57 3.57 -1.36 -0.80 116.94 120.25 1rjv h PHE 48 Ca -0.07 0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.47 1rjv h PHE 48 Cb 0.50 -0.30 0.00 0.00 2.79 0.00 0.00 35.95 38.94 1rjv h PHE 48 CO 0.10 0.17 0.00 1.58 -2.23 0.00 0.00 178.31 177.93 1rjv n HIS 49 N -4.82 0.45 -0.02 0.41 -0.00 -0.84 -1.29 115.22 109.11 1rjv n HIS 49 Ca 0.24 0.21 -0.20 0.00 0.46 0.00 0.00 57.72 58.43 1rjv n HIS 49 Cb 0.62 -0.84 -0.14 0.00 -0.12 0.00 0.00 29.99 29.52 1rjv n HIS 49 CO 0.00 0.00 0.00 -0.12 0.46 0.00 0.00 176.34 176.68 1rjv n MET 50 N -1.94 0.74 -0.10 1.57 0.00 -0.31 -4.28 117.12 112.79 1rjv n MET 50 Ca 0.00 0.24 -0.09 0.00 -0.00 0.00 0.00 57.70 57.86 1rjv n MET 50 Cb 0.09 -1.67 0.07 0.00 0.00 0.00 0.00 33.22 31.71 1rjv n MET 50 CO 0.00 0.00 0.00 1.37 0.00 0.00 0.00 175.97 177.34 1rjv h LEU 51 N 0.06 0.83 -7.39 -0.89 -0.00 -1.50 -3.39 115.31 103.03 1rjv h LEU 51 Ca -0.46 -0.31 -0.50 0.00 -0.00 0.00 0.00 57.88 56.61 1rjv h LEU 51 Cb 2.01 -0.23 -0.02 0.00 -0.00 0.00 0.00 40.66 42.42 1rjv h LEU 51 CO 0.05 1.03 1.73 -0.67 -0.00 0.00 0.00 178.44 180.58 1rjv n ASP 52 N -4.10 3.23 -0.28 0.17 2.03 -0.41 -4.83 116.55 112.34 1rjv n ASP 52 Ca -0.00 -2.73 -0.02 0.00 0.52 0.00 0.00 54.79 52.56 1rjv n ASP 52 Cb 0.45 -1.55 0.10 0.00 -0.72 0.00 0.00 41.12 39.40 1rjv n ASP 52 CO 0.00 0.00 0.00 0.11 -1.92 0.00 0.00 177.20 175.39 1rjv h LYS 53 N 8.63 0.93 0.00 -0.67 1.57 -1.85 0.16 116.57 125.35 1rjv h LYS 53 Ca 0.33 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 59.06 1rjv h LYS 53 Cb 0.83 -0.21 0.00 0.00 0.08 0.00 0.00 32.23 32.93 1rjv h LYS 53 CO 1.52 0.62 0.00 -0.40 -0.57 0.00 0.00 179.45 180.62 1rjv n ASP 54 N -4.61 0.00 -2.21 0.86 5.68 -1.26 -4.92 116.55 110.09 1rjv n ASP 54 Ca 0.10 -0.51 0.00 0.00 -0.50 0.00 0.00 54.79 53.87 1rjv n ASP 54 Cb 0.10 -0.08 0.00 0.00 -1.14 0.00 0.00 41.12 40.00 1rjv n ASP 54 CO 0.00 0.00 0.00 2.29 -1.33 0.00 0.00 177.20 178.16 1rjv n LYS 55 N -1.08 -2.70 0.05 0.11 -0.00 0.57 -4.83 118.16 110.28 1rjv n LYS 55 Ca 0.15 0.00 0.07 0.00 -0.00 0.00 0.00 58.31 58.53 1rjv n LYS 55 Cb 0.11 -3.91 0.31 0.00 -0.00 0.00 0.00 35.03 31.54 1rjv n LYS 55 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.40 176.27 1rjv n SER 56 N -1.26 0.23 0.00 -5.58 3.41 -1.26 -4.84 113.62 104.32 1rjv n SER 56 Ca 0.00 0.58 0.00 0.00 -0.26 0.00 0.00 58.87 59.19 1rjv n SER 56 Cb 0.43 -0.62 0.00 0.00 -0.26 0.00 0.00 64.21 63.76 1rjv n SER 56 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1rjv n GLY 57 N -0.57 0.67 3.21 5.00 0.00 -1.26 -5.06 105.19 107.18 1rjv n GLY 57 Ca 0.02 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.94 1rjv n GLY 57 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1rjv s PHE 58 N -2.17 -0.67 -0.21 1.61 0.08 -1.26 -4.71 117.98 110.66 1rjv s PHE 58 Ca 0.00 1.35 -0.21 0.00 0.12 0.00 0.00 56.93 58.19 1rjv s PHE 58 Cb 0.00 0.22 -0.02 0.00 -0.57 0.00 0.00 43.02 42.64 1rjv s PHE 58 CO 0.00 -0.42 0.63 0.42 -0.10 0.00 0.00 175.22 175.75 1rjv s ILE 59 N 2.33 5.01 0.41 0.64 1.01 -0.41 -4.92 121.20 125.26 1rjv s ILE 59 Ca -0.03 1.19 0.08 0.00 0.00 0.00 0.00 60.65 61.89 1rjv s ILE 59 Cb -0.11 -3.95 -0.01 0.00 0.01 0.00 0.00 42.46 38.40 1rjv s ILE 59 CO -0.12 0.10 0.46 -1.61 0.00 0.00 0.00 174.94 173.77 1rjv s GLU 60 N 2.01 2.72 0.40 2.79 8.01 -1.26 -2.07 118.70 131.29 1rjv s GLU 60 Ca 0.28 -1.35 0.19 0.00 0.01 0.00 0.00 54.97 54.10 1rjv s GLU 60 Cb -0.16 -2.58 1.12 0.00 -4.31 0.00 0.00 34.13 28.21 1rjv s GLU 60 CO 0.10 -0.18 1.75 1.05 0.01 0.00 0.00 175.26 177.99 1rjv h GLU 61 N 0.87 0.36 -0.33 1.61 -0.00 -1.96 -0.63 114.58 114.49 1rjv h GLU 61 Ca -0.41 -0.02 0.06 0.00 -0.00 0.00 0.00 59.36 58.99 1rjv h GLU 61 Cb 1.27 -0.08 -0.08 0.00 -0.00 0.00 0.00 28.75 29.86 1rjv h GLU 61 CO 0.52 0.24 -0.43 -0.44 -0.00 0.00 0.00 179.01 178.89 1rjv h ASP 62 N 0.37 -1.42 0.47 3.06 3.32 -2.02 -1.98 116.42 118.22 1rjv h ASP 62 Ca 0.62 0.21 -0.23 0.00 0.02 0.00 0.00 57.03 57.65 1rjv h ASP 62 Cb 1.60 0.61 -0.00 0.00 0.22 0.00 0.00 39.33 41.75 1rjv h ASP 62 CO -0.32 -0.39 -1.00 -0.33 -1.72 0.00 0.00 179.24 175.48 1rjv h GLU 63 N -0.37 0.33 -0.66 3.56 5.08 -1.76 -3.35 114.58 117.40 1rjv h GLU 63 Ca 0.12 -0.40 0.15 0.00 -1.00 0.00 0.00 59.36 58.24 1rjv h GLU 63 Cb 0.60 0.12 -0.04 0.00 0.50 0.00 0.00 28.75 29.93 1rjv h GLU 63 CO -0.53 1.10 0.46 1.25 -1.00 0.00 0.00 179.01 180.29 1rjv h LEU 64 N 0.16 0.22 -1.82 1.33 6.46 -0.53 -0.54 115.31 120.59 1rjv h LEU 64 Ca -0.08 0.01 0.18 0.00 -0.12 0.00 0.00 57.88 57.87 1rjv h LEU 64 Cb 1.66 -0.03 -0.03 0.00 -0.73 0.00 0.00 40.66 41.53 1rjv h LEU 64 CO 0.17 0.12 0.64 1.23 -0.62 0.00 0.00 178.44 179.97 1rjv h GLY 65 N 0.24 0.00 -5.13 3.75 0.00 -1.52 -3.30 103.07 97.11 1rjv h GLY 65 Ca 0.32 0.00 -0.19 0.00 0.00 0.00 0.00 47.33 47.46 1rjv h GLY 65 CO -0.07 0.00 -0.53 1.97 0.00 0.00 0.00 176.54 177.91 1rjv n PHE 66 N -3.71 -1.08 -0.32 5.60 -1.74 -0.23 -0.65 117.46 115.33 1rjv n PHE 66 Ca 0.13 -1.86 0.17 0.00 -0.56 0.00 0.00 57.45 55.32 1rjv n PHE 66 Cb 0.87 1.03 0.36 0.00 1.52 0.00 0.00 39.48 43.25 1rjv n PHE 66 CO 0.00 0.00 0.00 -0.84 -0.56 0.00 0.00 176.76 175.36 1rjv h ILE 67 N 4.41 0.44 -0.42 1.97 -0.00 -1.58 0.81 117.51 123.13 1rjv h ILE 67 Ca -0.35 -0.14 0.12 0.00 -0.00 0.00 0.00 64.86 64.49 1rjv h ILE 67 Cb 1.29 -0.01 -0.02 0.00 -0.00 0.00 0.00 36.82 38.08 1rjv h ILE 67 CO -0.07 0.08 0.38 0.17 -0.00 0.00 0.00 178.15 178.70 1rjv h LEU 68 N 0.41 0.00 -0.90 0.16 -0.00 -1.91 -0.94 115.31 112.13 1rjv h LEU 68 Ca 0.62 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 58.50 1rjv h LEU 68 Cb 1.24 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.90 1rjv h LEU 68 CO -0.55 0.00 0.00 0.50 -0.00 0.00 0.00 178.44 178.39 1rjv h LYS 69 N 0.00 0.00 0.00 0.17 3.64 -0.97 -0.72 116.57 118.69 1rjv h LYS 69 Ca 0.20 0.00 -0.20 0.00 -1.27 0.00 0.00 60.65 59.38 1rjv h LYS 69 Cb 0.95 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 32.74 1rjv h LYS 69 CO -0.00 0.00 -1.22 0.78 -2.27 0.00 0.00 179.45 176.74 1rjv h GLY 70 N 2.08 0.00 0.91 5.01 0.00 -1.32 -3.35 103.07 106.40 1rjv h GLY 70 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 47.29 1rjv h GLY 70 CO 0.00 0.00 0.07 0.74 0.00 0.00 0.00 176.54 177.35 1rjv h PHE 71 N 0.00 0.61 -1.78 5.60 0.04 -1.19 -3.42 116.94 116.79 1rjv h PHE 71 Ca -0.13 -0.08 0.31 0.00 2.80 0.00 0.00 57.97 60.87 1rjv h PHE 71 Cb 1.69 -0.17 -0.10 0.00 2.20 0.00 0.00 35.95 39.58 1rjv h PHE 71 CO 0.00 0.62 0.81 -1.12 -0.60 0.00 0.00 178.31 178.02 1rjv s SER 72 N -5.96 -0.04 1.22 2.17 0.01 -0.60 -4.90 113.70 105.61 1rjv s SER 72 Ca -0.13 -0.22 -0.18 0.00 1.31 0.00 0.00 55.95 56.73 1rjv s SER 72 Cb 0.09 0.20 0.29 0.00 0.21 0.00 0.00 66.02 66.82 1rjv s SER 72 CO 0.76 -0.39 1.06 -2.16 0.41 0.00 0.00 173.24 172.92 1rjv s PRO 73 N -2.33 -1.37 0.00 12.44 0.04 -1.26 -4.02 135.00 138.49 1rjv s PRO 73 Ca 0.19 0.13 0.00 0.00 0.04 0.00 0.00 61.00 61.37 1rjv s PRO 73 Cb 0.02 -1.56 0.00 0.00 0.04 0.00 0.00 34.50 33.00 1rjv s PRO 73 CO -0.02 -3.85 0.00 -0.25 0.04 0.00 0.00 177.00 172.92 1rjv n ASP 74 N -4.90 0.00 -0.39 6.66 8.00 -1.26 -4.92 116.55 119.75 1rjv n ASP 74 Ca 0.11 0.00 -0.11 0.00 0.71 0.00 0.00 54.79 55.50 1rjv n ASP 74 Cb 0.59 -0.68 -0.10 0.00 -0.02 0.00 0.00 41.12 40.91 1rjv n ASP 74 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1rjv h ALA 75 N 0.00 -0.54 -0.51 2.24 0.00 -1.85 -3.48 119.26 115.11 1rjv h ALA 75 Ca 0.00 0.11 0.06 0.00 0.00 0.00 0.00 54.91 55.08 1rjv h ALA 75 Cb 0.00 1.35 -0.02 0.00 0.00 0.00 0.00 17.79 19.12 1rjv h ALA 75 CO 0.00 -0.94 -0.12 0.54 0.00 0.00 0.00 179.25 178.73 1rjv n ARG 76 N -5.16 -0.48 -2.19 0.00 1.74 -1.26 -4.54 116.66 104.77 1rjv n ARG 76 Ca 0.02 0.35 -0.42 0.00 -0.77 0.00 0.00 57.85 57.02 1rjv n ARG 76 Cb 0.25 -0.57 -0.03 0.00 -1.02 0.00 0.00 32.46 31.10 1rjv n ARG 76 CO 0.00 0.00 0.00 0.16 -1.52 0.00 0.00 177.63 176.27 1rjv s ASP 77 N -4.68 6.79 0.76 0.55 -4.77 -1.26 -4.66 116.67 109.40 1rjv s ASP 77 Ca 0.00 2.01 -0.15 0.00 -3.30 0.00 0.00 52.55 51.11 1rjv s ASP 77 Cb 0.00 -2.54 0.03 0.00 -1.09 0.00 0.00 42.92 39.32 1rjv s ASP 77 CO 0.00 -0.84 0.99 0.18 0.70 0.00 0.00 175.17 176.19 1rjv n LEU 78 N 6.77 3.47 -4.76 2.11 4.77 0.18 -4.96 117.00 124.58 1rjv n LEU 78 Ca 0.16 0.62 -0.33 0.00 -0.03 0.00 0.00 56.01 56.43 1rjv n LEU 78 Cb 0.44 -1.42 0.06 0.00 -2.33 0.00 0.00 43.42 40.17 1rjv n LEU 78 CO 0.60 -2.06 0.75 -0.55 -1.33 0.00 0.00 177.39 174.79 1rjv s SER 79 N -1.78 4.90 0.37 -1.43 0.15 -1.26 -4.85 113.70 109.79 1rjv s SER 79 Ca 0.72 2.06 0.05 0.00 0.70 0.00 0.00 55.95 59.48 1rjv s SER 79 Cb -0.32 -2.56 0.73 0.00 -1.71 0.00 0.00 66.02 62.16 1rjv s SER 79 CO 0.52 -1.78 2.02 0.00 1.20 0.00 0.00 173.24 175.20 1rjv h ALA 80 N -0.08 1.63 -0.52 5.45 0.00 -1.98 0.08 119.26 123.83 1rjv h ALA 80 Ca -0.47 -0.04 -0.06 0.00 0.00 0.00 0.00 54.91 54.35 1rjv h ALA 80 Cb 1.26 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.81 1rjv h ALA 80 CO 0.53 0.32 0.10 0.87 0.00 0.00 0.00 179.25 181.07 1rjv h LYS 81 N 0.74 0.86 0.56 0.00 1.57 -1.99 -1.08 116.57 117.23 1rjv h LYS 81 Ca 0.22 -0.22 -0.02 0.00 -1.87 0.00 0.00 60.65 58.76 1rjv h LYS 81 Cb -0.02 -0.10 -0.00 0.00 0.08 0.00 0.00 32.23 32.19 1rjv h LYS 81 CO -0.05 0.83 -0.33 1.49 -0.57 0.00 0.00 179.45 180.82 1rjv h GLU 82 N 0.74 -0.81 -0.63 3.15 4.81 -1.70 -1.58 114.58 118.57 1rjv h GLU 82 Ca 0.16 0.06 0.13 0.00 -0.13 0.00 0.00 59.36 59.57 1rjv h GLU 82 Cb 0.38 0.18 -0.09 0.00 0.63 0.00 0.00 28.75 29.85 1rjv h GLU 82 CO 0.01 -0.54 0.11 1.15 -0.73 0.00 0.00 179.01 179.01 1rjv h THR 83 N -0.84 0.58 0.14 0.32 2.02 -0.96 0.31 112.91 114.48 1rjv h THR 83 Ca -0.07 -0.08 0.02 0.00 0.77 0.00 0.00 66.41 67.05 1rjv h THR 83 Cb 0.68 0.34 -0.04 0.00 -1.74 0.00 0.00 68.15 67.38 1rjv h THR 83 CO 0.08 0.04 -0.43 0.11 0.37 0.00 0.00 175.52 175.69 1rjv h LYS 84 N 0.23 -0.65 -0.07 6.66 1.57 -0.85 0.45 116.57 123.90 1rjv h LYS 84 Ca 0.33 0.04 -0.21 0.00 -1.87 0.00 0.00 60.65 58.95 1rjv h LYS 84 Cb 0.53 0.15 0.00 0.00 0.08 0.00 0.00 32.23 32.99 1rjv h LYS 84 CO -0.45 -0.43 -0.83 1.98 -0.57 0.00 0.00 179.45 179.14 1rjv h MET 85 N -0.68 0.53 -0.34 3.15 4.05 -0.91 -3.07 114.93 117.66 1rjv h MET 85 Ca 0.02 -0.48 -0.05 0.00 -0.28 0.00 0.00 59.70 58.90 1rjv h MET 85 Cb 0.69 0.11 -0.02 0.00 -0.80 0.00 0.00 31.60 31.59 1rjv h MET 85 CO -0.24 1.11 -0.02 1.25 0.23 0.00 0.00 176.91 179.24 1rjv h LEU 86 N 0.34 0.50 0.79 3.39 5.85 -0.37 0.26 115.31 126.07 1rjv h LEU 86 Ca -0.06 -0.10 -0.03 0.00 0.84 0.00 0.00 57.88 58.53 1rjv h LEU 86 Cb 1.44 -0.13 -0.00 0.00 0.37 0.00 0.00 40.66 42.34 1rjv h LEU 86 CO 0.15 0.58 -0.49 -0.03 -0.34 0.00 0.00 178.44 178.31 1rjv h MET 87 N 0.51 -1.16 -0.01 1.25 4.05 -0.91 0.17 114.93 118.83 1rjv h MET 87 Ca 0.11 0.08 0.00 0.00 -0.28 0.00 0.00 59.70 59.61 1rjv h MET 87 Cb 0.36 0.26 -0.00 0.00 -0.80 0.00 0.00 31.60 31.42 1rjv h MET 87 CO 0.01 -0.77 -0.00 0.00 0.23 0.00 0.00 176.91 176.38 1rjv h ALA 88 N -1.13 0.00 -0.15 0.39 0.00 -1.39 -1.37 119.26 115.60 1rjv h ALA 88 Ca -0.11 0.00 -0.14 0.00 0.00 0.00 0.00 54.91 54.66 1rjv h ALA 88 Cb 0.97 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.77 1rjv h ALA 88 CO 0.10 -0.50 -0.47 0.00 0.00 0.00 0.00 179.25 178.39 1rjv h ALA 89 N 1.01 0.26 -0.09 0.00 0.00 -0.58 -3.31 119.26 116.54 1rjv h ALA 89 Ca 0.01 -0.48 0.03 0.00 0.00 0.00 0.00 54.91 54.46 1rjv h ALA 89 Cb 0.01 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 17.73 1rjv h ALA 89 CO -0.01 0.41 -0.12 0.78 0.00 0.00 0.00 179.25 180.31 1rjv h GLY 90 N 0.23 -0.06 -5.02 0.00 0.00 -0.64 -2.93 103.07 94.65 1rjv h GLY 90 Ca -0.02 0.14 -0.34 0.00 0.00 0.00 0.00 47.33 47.12 1rjv h GLY 90 CO 0.10 -0.13 1.94 1.34 0.00 0.00 0.00 176.54 179.80 1rjv n ASP 91 N -5.26 5.05 0.01 0.19 2.03 -0.52 -4.56 116.55 113.49 1rjv n ASP 91 Ca -0.04 -2.30 0.04 0.00 0.52 0.00 0.00 54.79 53.01 1rjv n ASP 91 Cb 0.18 -1.11 0.17 0.00 -0.72 0.00 0.00 41.12 39.64 1rjv n ASP 91 CO 0.00 0.00 0.00 2.29 -1.92 0.00 0.00 177.20 177.57 1rjv n LYS 92 N 3.62 0.02 0.03 -0.67 -0.00 -1.11 -0.73 118.16 119.32 1rjv n LYS 92 Ca 0.45 0.41 0.12 0.00 -0.00 0.00 0.00 58.31 59.28 1rjv n LYS 92 Cb 0.30 -1.54 0.22 0.00 -0.00 0.00 0.00 35.03 34.01 1rjv n LYS 92 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.40 173.93 1rjv n ASP 93 N -1.57 0.59 -0.75 -5.58 2.03 -1.26 -5.00 116.55 105.00 1rjv n ASP 93 Ca 0.01 -0.00 -0.08 0.00 0.52 0.00 0.00 54.79 55.24 1rjv n ASP 93 Cb 0.08 0.18 -0.02 0.00 -0.72 0.00 0.00 41.12 40.64 1rjv n ASP 93 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1rjv n GLY 94 N 1.41 0.48 0.09 0.27 0.00 0.09 -4.95 105.19 102.57 1rjv n GLY 94 Ca 0.04 -0.62 -0.05 0.00 0.00 0.00 0.00 46.02 45.38 1rjv n GLY 94 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 1rjv h ASP 95 N 0.00 0.00 0.00 1.61 3.04 -1.95 -3.49 116.42 115.63 1rjv h ASP 95 Ca -0.17 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.62 1rjv h ASP 95 Cb 0.84 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 39.13 1rjv h ASP 95 CO 0.22 0.85 0.00 0.61 -2.04 0.00 0.00 179.24 178.88 1rjv n GLY 96 N 1.49 1.13 3.03 7.15 0.00 -1.26 -5.13 105.19 111.59 1rjv n GLY 96 Ca -0.14 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.79 1rjv n GLY 96 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1rjv s LYS 97 N -0.05 0.43 -0.21 1.61 3.01 -1.26 -4.83 119.74 118.45 1rjv s LYS 97 Ca 0.00 -0.80 -0.29 0.00 -1.01 0.00 0.00 55.97 53.87 1rjv s LYS 97 Cb 0.00 0.06 -0.02 0.00 -1.01 0.00 0.00 37.83 36.86 1rjv s LYS 97 CO 0.00 -0.05 1.39 0.42 0.51 0.00 0.00 175.35 177.62 1rjv s ILE 98 N -2.09 4.04 0.12 2.17 1.01 -0.88 -4.21 121.20 121.37 1rjv s ILE 98 Ca -0.09 1.22 0.05 0.00 0.00 0.00 0.00 60.65 61.83 1rjv s ILE 98 Cb -0.05 -3.94 -0.04 0.00 0.01 0.00 0.00 42.46 38.44 1rjv s ILE 98 CO -0.03 -0.28 0.07 -0.83 0.00 0.00 0.00 174.94 173.88 1rjv s GLY 99 N 2.86 1.86 0.16 6.18 0.00 -1.26 -1.29 107.32 115.83 1rjv s GLY 99 Ca 0.61 -1.14 -0.27 0.00 0.00 0.00 0.00 44.72 43.91 1rjv s GLY 99 CO 0.22 -1.14 1.56 -0.24 0.00 0.00 0.00 173.10 173.50 1rjv h VAL 100 N 2.44 0.06 -0.02 1.40 3.04 -1.93 -0.89 116.25 120.34 1rjv h VAL 100 Ca -0.47 0.00 -0.06 0.00 -1.01 0.00 0.00 66.70 65.16 1rjv h VAL 100 Cb 1.18 0.06 -0.01 0.00 -2.01 0.00 0.00 31.29 30.51 1rjv h VAL 100 CO 0.63 0.00 -0.25 -0.78 -1.01 0.00 0.00 177.57 176.16 1rjv h ASP 101 N -0.23 0.04 0.47 3.17 3.58 -1.97 0.13 116.42 121.60 1rjv h ASP 101 Ca 0.16 -0.01 -0.02 0.00 0.42 0.00 0.00 57.03 57.58 1rjv h ASP 101 Cb 0.56 -0.01 0.00 0.00 1.72 0.00 0.00 39.33 41.60 1rjv h ASP 101 CO -0.71 0.29 -0.23 -0.33 -2.88 0.00 0.00 179.24 175.38 1rjv h GLU 102 N 0.04 -0.61 -0.43 0.28 5.08 -1.91 -3.34 114.58 113.69 1rjv h GLU 102 Ca 0.00 0.04 0.11 0.00 -1.00 0.00 0.00 59.36 58.52 1rjv h GLU 102 Cb 0.46 0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.83 1rjv h GLU 102 CO 0.03 -0.41 0.31 0.35 -1.00 0.00 0.00 179.01 178.29 1rjv h PHE 103 N -0.87 0.08 -0.79 4.33 3.57 -0.01 0.34 116.94 123.58 1rjv h PHE 103 Ca -0.06 0.00 0.12 0.00 3.53 0.00 0.00 57.97 61.56 1rjv h PHE 103 Cb 0.48 -0.03 -0.08 0.00 2.79 0.00 0.00 35.95 39.12 1rjv h PHE 103 CO 0.05 0.04 0.40 1.03 -2.23 0.00 0.00 178.31 177.59 1rjv h SER 104 N 0.07 0.50 0.00 0.41 0.87 -0.94 -3.32 113.55 111.14 1rjv h SER 104 Ca 0.20 0.08 -0.04 0.00 -1.23 0.00 0.00 61.79 60.81 1rjv h SER 104 Cb 0.72 -0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.67 1rjv h SER 104 CO -0.02 0.24 -1.26 0.35 -0.53 0.00 0.00 176.83 175.61 1rjv n THR 105 N -4.87 0.14 -0.33 2.23 -2.24 0.35 -4.44 114.28 105.12 1rjv n THR 105 Ca 0.14 -0.15 0.16 0.00 -2.27 0.00 0.00 64.05 61.93 1rjv n THR 105 Cb 0.36 -0.19 0.35 0.00 -2.10 0.00 0.00 70.33 68.75 1rjv n THR 105 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 1rjv h LEU 106 N 0.00 0.56 -0.05 3.22 5.85 -0.62 0.46 115.31 124.74 1rjv h LEU 106 Ca -0.06 0.14 0.00 0.00 0.84 0.00 0.00 57.88 58.80 1rjv h LEU 106 Cb 0.71 0.06 0.00 0.00 0.37 0.00 0.00 40.66 41.80 1rjv h LEU 106 CO 0.00 0.08 0.00 1.33 -0.34 0.00 0.00 178.44 179.51 1rjv n VAL 107 N -4.93 0.37 -0.09 1.05 0.24 -1.25 -0.82 118.33 112.89 1rjv n VAL 107 Ca 0.25 0.02 -0.17 0.00 -2.04 0.00 0.00 64.34 62.39 1rjv n VAL 107 Cb 0.70 -0.66 -0.13 0.00 -1.47 0.00 0.00 33.84 32.27 1rjv n VAL 107 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1rjv n ALA 108 N -1.57 1.33 0.77 2.33 0.00 -0.03 -3.71 120.51 119.64 1rjv n ALA 108 Ca 0.06 -1.01 0.09 0.00 0.00 0.00 0.00 53.44 52.58 1rjv n ALA 108 Cb 0.31 -0.27 0.44 0.00 0.00 0.00 0.00 19.45 19.93 1rjv n ALA 108 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 1rjv n GLU 109 N -3.24 0.14 -0.05 0.00 0.28 -0.15 -5.13 120.64 112.49 1rjv n GLU 109 Ca -0.40 0.14 0.00 0.00 -0.16 0.00 0.00 57.16 56.74 1rjv n GLU 109 Cb 1.03 -1.50 0.00 0.00 1.43 0.00 0.00 31.44 32.40 1rjv n GLU 109 CO 0.00 0.00 0.00 -1.13 -0.16 0.00 0.00 177.13 175.84