#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 0.00 -4.44 3.17 7.64 -1.26 -4.43 113.62 114.29 1rjv n SER 2 Ca 0.00 0.00 -0.23 0.00 1.01 0.00 0.00 58.87 59.65 1rjv n SER 2 Cb 0.00 0.00 -0.10 0.00 -1.01 0.00 0.00 64.21 63.10 1rjv n SER 2 CO 0.00 0.00 0.00 1.15 -3.01 0.00 0.00 175.04 173.18 1rjv n MET 3 N 13.80 0.63 0.03 1.43 3.85 -1.26 -1.95 117.12 133.65 1rjv n MET 3 Ca 0.00 -1.90 0.00 0.00 -1.00 0.00 0.00 57.70 54.80 1rjv n MET 3 Cb 0.00 -3.72 0.00 0.00 -1.05 0.00 0.00 33.22 28.45 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 8.39 0.00 -0.03 3.17 -1.04 -1.26 -4.77 114.28 118.73 1rjv n THR 4 Ca 0.43 0.00 -0.03 0.00 -2.04 0.00 0.00 64.05 62.41 1rjv n THR 4 Cb 0.46 0.00 -0.05 0.00 -1.82 0.00 0.00 70.33 68.92 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 -3.03 3.53 0.01 8.00 2.03 -0.88 -1.62 116.55 124.59 1rjv n ASP 5 Ca 0.00 -0.00 -0.01 0.00 0.52 0.00 0.00 54.79 55.29 1rjv n ASP 5 Cb 0.00 0.61 -0.01 0.00 -0.72 0.00 0.00 41.12 41.01 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 0.00 -0.08 0.00 -2.67 3.38 -1.77 -3.44 115.31 110.72 1rjv h LEU 6 Ca -0.16 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.81 1rjv h LEU 6 Cb 1.36 0.02 0.00 0.00 0.09 0.00 0.00 40.66 42.13 1rjv h LEU 6 CO 0.01 0.18 0.00 0.18 0.09 0.00 0.00 178.44 178.90 1rjv n LEU 7 N -3.59 0.00 0.00 1.67 4.77 -1.26 -5.02 117.00 113.57 1rjv n LEU 7 Ca -0.01 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.97 1rjv n LEU 7 Cb 0.04 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.13 1rjv n LEU 7 CO 0.03 0.00 0.00 0.59 -1.33 0.00 0.00 177.39 176.68 1rjv n ASN 8 N 0.00 0.00 -0.33 -1.43 3.02 -1.25 -4.94 115.26 110.33 1rjv n ASN 8 Ca 0.00 0.00 0.23 0.00 -0.03 0.00 0.00 54.58 54.78 1rjv n ASN 8 Cb 0.00 0.00 0.50 0.00 -0.61 0.00 0.00 39.78 39.67 1rjv n ASN 8 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1rjv h ALA 9 N 0.00 2.21 0.03 5.41 0.00 -1.60 0.26 119.26 125.57 1rjv h ALA 9 Ca 0.00 0.07 -0.00 0.00 0.00 0.00 0.00 54.91 54.98 1rjv h ALA 9 Cb 0.00 0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.83 1rjv h ALA 9 CO 0.00 -0.64 -0.01 0.93 0.00 0.00 0.00 179.25 179.53 1rjv h GLU 10 N 0.40 -0.04 -0.35 0.00 5.08 -1.97 -2.23 114.58 115.47 1rjv h GLU 10 Ca 0.61 0.00 -0.12 0.00 -1.00 0.00 0.00 59.36 58.86 1rjv h GLU 10 Cb 1.53 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 30.78 1rjv h GLU 10 CO -0.32 0.02 -0.26 -0.44 -1.00 0.00 0.00 179.01 177.01 1rjv h ASP 11 N -0.09 0.74 -0.73 1.42 3.32 -1.55 -2.54 116.42 116.99 1rjv h ASP 11 Ca -0.00 -0.28 0.14 0.00 0.02 0.00 0.00 57.03 56.91 1rjv h ASP 11 Cb 0.08 -0.20 -0.09 0.00 0.22 0.00 0.00 39.33 39.33 1rjv h ASP 11 CO 0.01 0.97 0.28 0.40 -1.72 0.00 0.00 179.24 179.17 1rjv h ILE 12 N 0.62 0.66 -0.08 0.35 5.03 -0.93 -0.22 117.51 122.95 1rjv h ILE 12 Ca 0.08 -0.15 -0.00 0.00 -0.12 0.00 0.00 64.86 64.67 1rjv h ILE 12 Cb 0.76 0.20 -0.00 0.00 -3.03 0.00 0.00 36.82 34.75 1rjv h ILE 12 CO 0.06 0.08 0.04 0.11 -0.68 0.00 0.00 178.15 177.76 1rjv h LYS 13 N 0.42 0.11 -0.98 2.37 1.57 -0.97 0.11 116.57 119.21 1rjv h LYS 13 Ca 0.40 -0.01 0.04 0.00 -1.87 0.00 0.00 60.65 59.21 1rjv h LYS 13 Cb 0.60 -0.02 -0.06 0.00 0.08 0.00 0.00 32.23 32.83 1rjv h LYS 13 CO -0.40 0.17 0.64 0.87 -0.57 0.00 0.00 179.45 180.16 1rjv h LYS 14 N 0.03 1.18 0.32 3.15 6.56 -1.37 -2.61 116.57 123.83 1rjv h LYS 14 Ca 0.03 -0.07 -0.02 0.00 -1.06 0.00 0.00 60.65 59.53 1rjv h LYS 14 Cb 0.09 -0.27 0.00 0.00 -0.57 0.00 0.00 32.23 31.49 1rjv h LYS 14 CO -0.00 0.78 -0.15 0.00 -2.06 0.00 0.00 179.45 178.01 1rjv h ALA 15 N 1.41 -0.43 -0.67 3.86 0.00 -0.57 -2.44 119.26 120.42 1rjv h ALA 15 Ca 0.40 -0.17 0.02 0.00 0.00 0.00 0.00 54.91 55.16 1rjv h ALA 15 Cb 0.04 0.17 -0.04 0.00 0.00 0.00 0.00 17.79 17.96 1rjv h ALA 15 CO -0.14 -0.61 0.44 0.28 0.00 0.00 0.00 179.25 179.23 1rjv h VAL 16 N -0.69 1.12 0.00 0.00 2.07 -1.01 0.35 116.25 118.09 1rjv h VAL 16 Ca -0.04 -0.29 -0.00 0.00 0.82 0.00 0.00 66.70 67.19 1rjv h VAL 16 Cb 0.48 0.21 -0.00 0.00 -1.52 0.00 0.00 31.29 30.46 1rjv h VAL 16 CO 0.07 0.15 -0.00 1.23 0.02 0.00 0.00 177.57 179.04 1rjv h GLY 17 N 0.84 0.00 0.39 2.17 0.00 -1.28 -2.10 103.07 103.08 1rjv h GLY 17 Ca 0.26 0.00 -0.22 0.00 0.00 0.00 0.00 47.33 47.37 1rjv h GLY 17 CO -0.07 0.00 -1.11 0.00 0.00 0.00 0.00 176.54 175.36 1rjv h ALA 18 N 2.00 0.14 0.00 3.60 0.00 -0.43 -3.30 119.26 121.27 1rjv h ALA 18 Ca -0.00 -0.98 -0.02 0.00 0.00 0.00 0.00 54.91 53.91 1rjv h ALA 18 Cb 0.00 0.41 -0.00 0.00 0.00 0.00 0.00 17.79 18.20 1rjv h ALA 18 CO 0.00 0.64 -0.08 0.74 0.00 0.00 0.00 179.25 180.55 1rjv h PHE 19 N -0.54 0.00 0.00 0.00 -1.00 -1.53 -3.41 116.94 110.47 1rjv h PHE 19 Ca -0.25 0.00 -0.17 0.00 2.81 0.00 0.00 57.97 60.36 1rjv h PHE 19 Cb 1.55 0.00 0.00 0.00 3.61 0.00 0.00 35.95 41.12 1rjv h PHE 19 CO 0.15 0.08 1.54 0.45 -1.61 0.00 0.00 178.31 178.92 1rjv n SER 20 N -3.22 2.45 -2.72 2.17 2.88 -0.79 -4.16 113.62 110.22 1rjv n SER 20 Ca 0.00 -2.10 -0.04 0.00 -1.33 0.00 0.00 58.87 55.41 1rjv n SER 20 Cb 0.33 -0.74 0.09 0.00 -0.75 0.00 0.00 64.21 63.14 1rjv n SER 20 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1rjv n ALA 21 N 4.22 2.56 -0.55 -1.46 0.00 -1.26 -5.01 120.51 119.02 1rjv n ALA 21 Ca 0.22 -1.96 0.00 0.00 0.00 0.00 0.00 53.44 51.70 1rjv n ALA 21 Cb 0.11 -0.90 0.00 0.00 0.00 0.00 0.00 19.45 18.66 1rjv n ALA 21 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1rjv n THR 22 N -0.81 0.00 -0.45 0.00 -2.24 -1.26 -1.07 114.28 108.45 1rjv n THR 22 Ca -0.03 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.75 1rjv n THR 22 Cb 0.84 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 69.07 1rjv n THR 22 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 1rjv n ASP 23 N 0.55 0.47 -0.03 3.42 5.68 -1.26 -1.33 116.55 124.05 1rjv n ASP 23 Ca 0.00 -0.94 -0.10 0.00 -0.50 0.00 0.00 54.79 53.25 1rjv n ASP 23 Cb 0.00 0.04 -0.04 0.00 -1.14 0.00 0.00 41.12 39.99 1rjv n ASP 23 CO 0.00 0.00 0.00 -1.28 -1.33 0.00 0.00 177.20 174.59 1rjv h SER 24 N 0.00 0.14 -3.44 -1.12 0.87 -1.42 -3.35 113.55 105.23 1rjv h SER 24 Ca 0.00 0.01 0.16 0.00 -1.23 0.00 0.00 61.79 60.73 1rjv h SER 24 Cb 0.22 -0.02 -0.09 0.00 -0.44 0.00 0.00 62.40 62.07 1rjv h SER 24 CO 0.00 0.11 -1.02 0.33 -0.53 0.00 0.00 176.83 175.72 1rjv n PHE 25 N -5.00 -3.66 -2.66 2.24 7.35 -1.26 -5.03 117.46 109.43 1rjv n PHE 25 Ca -0.03 2.00 -0.03 0.00 -0.76 0.00 0.00 57.45 58.62 1rjv n PHE 25 Cb 0.05 -3.20 0.11 0.00 0.35 0.00 0.00 39.48 36.79 1rjv n PHE 25 CO 0.00 0.00 0.00 -3.47 -0.76 0.00 0.00 176.76 172.53 1rjv n ASP 26 N -3.43 -1.46 -0.04 -2.13 -0.08 -1.26 -4.94 116.55 103.20 1rjv n ASP 26 Ca -0.04 -2.16 -0.01 0.00 -1.51 0.00 0.00 54.79 51.07 1rjv n ASP 26 Cb 0.53 0.75 -0.01 0.00 2.34 0.00 0.00 41.12 44.73 1rjv n ASP 26 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1rjv n HIS 27 N -1.07 -0.04 -0.18 -0.67 1.44 -1.26 -0.37 115.22 113.07 1rjv n HIS 27 Ca -0.12 0.13 0.11 0.00 -2.01 0.00 0.00 57.72 55.82 1rjv n HIS 27 Cb 0.82 -0.28 0.43 0.00 0.12 0.00 0.00 29.99 31.08 1rjv n HIS 27 CO 0.00 0.00 0.00 1.57 -2.81 0.00 0.00 176.34 175.10 1rjv h LYS 28 N 0.00 0.57 0.05 -1.40 -0.00 -1.89 0.84 116.57 114.73 1rjv h LYS 28 Ca 0.02 -0.03 -0.12 0.00 -0.00 0.00 0.00 60.65 60.52 1rjv h LYS 28 Cb 0.04 -0.13 0.01 0.00 -0.00 0.00 0.00 32.23 32.15 1rjv h LYS 28 CO -0.09 0.38 -0.48 -0.22 -0.00 0.00 0.00 179.45 179.03 1rjv h LYS 29 N 0.59 0.24 -0.20 0.07 1.63 -1.03 -2.81 116.57 115.05 1rjv h LYS 29 Ca 0.36 -0.32 0.06 0.00 -0.85 0.00 0.00 60.65 59.89 1rjv h LYS 29 Cb 0.59 0.11 -0.06 0.00 -0.60 0.00 0.00 32.23 32.26 1rjv h LYS 29 CO -0.13 1.08 -0.20 0.35 -3.45 0.00 0.00 179.45 177.10 1rjv h PHE 30 N -0.45 -0.53 0.00 1.91 3.04 -0.65 0.15 116.94 120.40 1rjv h PHE 30 Ca -0.07 0.03 -0.01 0.00 3.98 0.00 0.00 57.97 61.90 1rjv h PHE 30 Cb 1.29 0.27 -0.00 0.00 2.56 0.00 0.00 35.95 40.07 1rjv h PHE 30 CO 0.19 -0.28 -0.04 0.74 -2.02 0.00 0.00 178.31 176.90 1rjv h PHE 31 N -0.22 0.00 0.01 0.41 -1.00 -0.89 0.28 116.94 115.53 1rjv h PHE 31 Ca 0.12 0.00 -0.04 0.00 2.81 0.00 0.00 57.97 60.87 1rjv h PHE 31 Cb 0.41 0.00 -0.00 0.00 3.61 0.00 0.00 35.95 39.97 1rjv h PHE 31 CO -0.35 0.04 -0.18 1.96 -1.61 0.00 0.00 178.31 178.17 1rjv h GLN 32 N 0.00 0.01 -0.72 1.51 4.20 -1.14 0.17 115.11 119.14 1rjv h GLN 32 Ca -0.00 -0.02 -0.00 0.00 0.06 0.00 0.00 58.65 58.69 1rjv h GLN 32 Cb 0.18 0.01 -0.04 0.00 0.30 0.00 0.00 27.48 27.93 1rjv h GLN 32 CO 0.01 1.01 0.45 0.52 -0.67 0.00 0.00 178.83 180.14 1rjv h MET 33 N -0.97 0.97 0.00 1.46 2.86 -0.02 -1.24 114.93 117.98 1rjv h MET 33 Ca -0.05 -0.08 0.00 0.00 -2.06 0.00 0.00 59.70 57.52 1rjv h MET 33 Cb 1.06 -0.21 0.00 0.00 0.06 0.00 0.00 31.60 32.51 1rjv h MET 33 CO -0.02 0.67 -0.04 1.55 1.06 0.00 0.00 176.91 180.13 1rjv n VAL 34 N -4.40 0.11 -1.06 -2.22 3.14 0.92 -4.62 118.33 110.20 1rjv n VAL 34 Ca 0.08 -0.05 -0.02 0.00 -2.96 0.00 0.00 64.34 61.38 1rjv n VAL 34 Cb 0.06 -0.46 -0.01 0.00 -1.06 0.00 0.00 33.84 32.37 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 1.46 0.53 0.17 7.55 0.00 -0.47 -4.58 105.19 109.85 1rjv n GLY 35 Ca 0.07 -0.27 -0.06 0.00 0.00 0.00 0.00 46.02 45.76 1rjv n GLY 35 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1rjv h LEU 36 N 0.00 -0.53 -2.01 0.99 6.46 -0.90 0.26 115.31 119.58 1rjv h LEU 36 Ca -0.04 0.05 0.15 0.00 -0.12 0.00 0.00 57.88 57.92 1rjv h LEU 36 Cb 0.34 0.19 -0.02 0.00 -0.73 0.00 0.00 40.66 40.44 1rjv h LEU 36 CO 0.07 -0.20 0.43 0.50 -0.62 0.00 0.00 178.44 178.62 1rjv h LYS 37 N -0.28 0.00 0.00 1.25 3.64 -1.86 -1.81 116.57 117.52 1rjv h LYS 37 Ca -0.01 0.00 -0.14 0.00 -1.27 0.00 0.00 60.65 59.23 1rjv h LYS 37 Cb 0.27 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.07 1rjv h LYS 37 CO -0.08 0.00 -0.67 -0.22 -2.27 0.00 0.00 179.45 176.20 1rjv h LYS 38 N 0.00 0.00 -7.79 1.90 3.64 -1.39 -3.46 116.57 109.47 1rjv h LYS 38 Ca 0.25 0.00 -0.44 0.00 -1.27 0.00 0.00 60.65 59.19 1rjv h LYS 38 Cb 1.11 0.00 0.17 0.00 -0.41 0.00 0.00 32.23 33.10 1rjv h LYS 38 CO -0.00 0.67 0.40 0.15 -2.27 0.00 0.00 179.45 178.41 1rjv s LYS 39 N -2.91 0.51 0.67 1.90 -0.14 0.75 -5.07 119.74 115.45 1rjv s LYS 39 Ca 0.03 -0.38 -0.14 0.00 -1.36 0.00 0.00 55.97 54.12 1rjv s LYS 39 Cb 0.09 -1.83 0.00 0.00 -1.68 0.00 0.00 37.83 34.41 1rjv s LYS 39 CO 0.77 -2.51 1.09 0.45 -0.76 0.00 0.00 175.35 174.39 1rjv s SER 40 N -4.81 5.20 0.32 2.83 0.15 -1.26 -4.93 113.70 111.20 1rjv s SER 40 Ca 0.74 1.88 0.05 0.00 0.70 0.00 0.00 55.95 59.31 1rjv s SER 40 Cb -0.04 -2.53 0.68 0.00 -1.71 0.00 0.00 66.02 62.41 1rjv s SER 40 CO 0.53 -1.57 1.87 0.00 1.20 0.00 0.00 173.24 175.28 1rjv h ALA 41 N -0.16 1.67 -0.09 5.45 0.00 -1.94 -0.97 119.26 123.22 1rjv h ALA 41 Ca -0.46 0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.41 1rjv h ALA 41 Cb 1.23 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.83 1rjv h ALA 41 CO 0.55 0.12 -0.18 0.22 0.00 0.00 0.00 179.25 179.96 1rjv h ASP 42 N 0.85 0.14 0.74 0.00 1.82 -2.00 -2.01 116.42 115.97 1rjv h ASP 42 Ca 0.45 -0.03 -0.04 0.00 -0.39 0.00 0.00 57.03 57.02 1rjv h ASP 42 Cb 0.53 -0.04 0.01 0.00 0.68 0.00 0.00 39.33 40.51 1rjv h ASP 42 CO -0.21 0.33 -0.36 -0.78 -1.61 0.00 0.00 179.24 176.61 1rjv h ASP 43 N 0.14 -0.84 -0.99 2.28 1.82 -1.55 -2.71 116.42 114.56 1rjv h ASP 43 Ca 0.03 0.01 0.24 0.00 -0.39 0.00 0.00 57.03 56.92 1rjv h ASP 43 Cb 0.40 0.22 -0.08 0.00 0.68 0.00 0.00 39.33 40.55 1rjv h ASP 43 CO 0.03 -0.56 0.65 0.58 -1.61 0.00 0.00 179.24 178.32 1rjv h VAL 44 N -1.06 0.58 0.33 2.25 2.07 -1.14 0.17 116.25 119.45 1rjv h VAL 44 Ca -0.10 -0.13 -0.01 0.00 0.82 0.00 0.00 66.70 67.28 1rjv h VAL 44 Cb 0.78 0.16 -0.02 0.00 -1.52 0.00 0.00 31.29 30.68 1rjv h VAL 44 CO 0.17 0.07 -0.41 0.50 0.02 0.00 0.00 177.57 177.92 1rjv h LYS 45 N 0.39 -0.74 -0.15 1.57 3.64 -1.20 0.68 116.57 120.77 1rjv h LYS 45 Ca 0.54 0.05 -0.02 0.00 -1.27 0.00 0.00 60.65 59.96 1rjv h LYS 45 Cb 1.39 0.17 -0.01 0.00 -0.41 0.00 0.00 32.23 33.37 1rjv h LYS 45 CO -0.24 -0.49 0.01 0.87 -2.27 0.00 0.00 179.45 177.33 1rjv h LYS 46 N -0.76 0.21 0.44 1.90 6.56 -0.75 -1.70 116.57 122.47 1rjv h LYS 46 Ca -0.04 -0.03 -0.02 0.00 -1.06 0.00 0.00 60.65 59.50 1rjv h LYS 46 Cb 0.68 -0.04 0.00 0.00 -0.57 0.00 0.00 32.23 32.31 1rjv h LYS 46 CO -0.09 0.23 -0.21 0.28 -2.06 0.00 0.00 179.45 177.59 1rjv h VAL 47 N 0.21 0.00 -0.93 0.50 2.07 -0.57 -2.93 116.25 114.59 1rjv h VAL 47 Ca 0.05 -0.06 0.26 0.00 0.82 0.00 0.00 66.70 67.77 1rjv h VAL 47 Cb 0.14 0.00 -0.16 0.00 -1.52 0.00 0.00 31.29 29.74 1rjv h VAL 47 CO 0.00 0.00 0.13 0.15 0.02 0.00 0.00 177.57 177.87 1rjv h PHE 48 N -0.66 0.15 -0.51 1.57 3.57 -0.81 -1.02 116.94 119.23 1rjv h PHE 48 Ca -0.06 0.06 0.08 0.00 3.53 0.00 0.00 57.97 61.58 1rjv h PHE 48 Cb 0.46 0.09 -0.03 0.00 2.79 0.00 0.00 35.95 39.25 1rjv h PHE 48 CO 0.10 -0.35 0.35 1.25 -2.23 0.00 0.00 178.31 177.43 1rjv h HIS 49 N 0.08 0.36 0.00 0.41 2.76 -1.22 -1.50 115.15 116.04 1rjv h HIS 49 Ca 0.59 0.01 -0.04 0.00 -2.20 0.00 0.00 60.37 58.72 1rjv h HIS 49 Cb 1.23 -0.12 -0.01 0.00 1.55 0.00 0.00 27.41 30.07 1rjv h HIS 49 CO -0.38 0.18 -0.26 1.98 -1.30 0.00 0.00 177.93 178.16 1rjv h MET 50 N 0.35 0.00 -0.14 5.26 1.85 -1.00 -3.22 114.93 118.04 1rjv h MET 50 Ca 0.23 0.00 -0.22 0.00 -0.61 0.00 0.00 59.70 59.10 1rjv h MET 50 Cb 0.46 0.00 0.01 0.00 0.43 0.00 0.00 31.60 32.50 1rjv h MET 50 CO -0.06 0.19 -0.77 -0.07 -0.40 0.00 0.00 176.91 175.80 1rjv h LEU 51 N 0.00 0.92 -8.14 3.39 3.38 -1.27 -3.40 115.31 110.19 1rjv h LEU 51 Ca -0.01 -0.64 -0.27 0.00 0.09 0.00 0.00 57.88 57.06 1rjv h LEU 51 Cb 1.16 -0.27 -0.04 0.00 0.09 0.00 0.00 40.66 41.60 1rjv h LEU 51 CO 0.03 1.41 0.76 -0.62 0.09 0.00 0.00 178.44 180.10 1rjv s ASP 52 N -7.08 4.91 0.00 -0.43 2.15 -0.81 -4.84 116.67 110.56 1rjv s ASP 52 Ca -0.11 -0.98 0.02 0.00 0.43 0.00 0.00 52.55 51.91 1rjv s ASP 52 Cb 0.08 -2.57 0.11 0.00 -0.30 0.00 0.00 42.92 40.24 1rjv s ASP 52 CO 0.90 -3.07 0.66 0.29 -0.17 0.00 0.00 175.17 173.78 1rjv n LYS 53 N 8.61 0.05 0.00 4.34 4.76 -1.26 -2.60 118.16 132.07 1rjv n LYS 53 Ca 0.42 0.06 0.00 0.00 -2.87 0.00 0.00 58.31 55.92 1rjv n LYS 53 Cb 0.46 -1.50 0.00 0.00 -1.84 0.00 0.00 35.03 32.15 1rjv n LYS 53 CO 0.00 0.00 0.00 -0.40 -1.37 0.00 0.00 177.40 175.63 1rjv n ASP 54 N -1.06 3.73 -3.30 4.39 5.75 -1.26 -5.06 116.55 119.73 1rjv n ASP 54 Ca 0.01 0.00 -0.20 0.00 -0.01 0.00 0.00 54.79 54.60 1rjv n ASP 54 Cb 0.01 0.46 0.08 0.00 -1.03 0.00 0.00 41.12 40.63 1rjv n ASP 54 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 1rjv n LYS 55 N -1.51 -6.88 0.15 0.11 5.02 -1.07 -4.97 118.16 109.01 1rjv n LYS 55 Ca 0.00 0.77 0.12 0.00 -2.02 0.00 0.00 58.31 57.18 1rjv n LYS 55 Cb 0.29 -5.60 0.18 0.00 -0.02 0.00 0.00 35.03 29.88 1rjv n LYS 55 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 1rjv h SER 56 N -2.22 0.00 0.00 4.39 4.64 -1.97 -3.48 113.55 114.92 1rjv h SER 56 Ca -0.53 -0.03 0.00 0.00 -0.47 0.00 0.00 61.79 60.76 1rjv h SER 56 Cb 1.33 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.42 1rjv h SER 56 CO 0.49 0.02 0.00 0.61 -0.87 0.00 0.00 176.83 177.08 1rjv n GLY 57 N 1.19 0.58 2.86 -0.77 0.00 -1.26 -5.06 105.19 102.73 1rjv n GLY 57 Ca 0.03 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.89 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 -2.27 -0.24 0.04 1.61 0.08 -1.26 -4.68 117.98 111.26 1rjv s PHE 58 Ca 0.00 0.63 -0.20 0.00 0.12 0.00 0.00 56.93 57.48 1rjv s PHE 58 Cb 0.00 -0.23 -0.06 0.00 -0.57 0.00 0.00 43.02 42.16 1rjv s PHE 58 CO 0.00 -0.33 0.60 0.42 -0.10 0.00 0.00 175.22 175.81 1rjv s ILE 59 N 2.32 4.81 0.25 0.64 1.01 -0.74 -4.93 121.20 124.55 1rjv s ILE 59 Ca 0.03 1.27 0.01 0.00 0.00 0.00 0.00 60.65 61.96 1rjv s ILE 59 Cb -0.12 -3.93 -0.04 0.00 0.01 0.00 0.00 42.46 38.37 1rjv s ILE 59 CO -0.07 0.48 0.13 -1.83 0.00 0.00 0.00 174.94 173.65 1rjv s GLU 60 N -0.60 1.38 0.37 2.79 -1.05 -1.26 -2.19 118.70 118.14 1rjv s GLU 60 Ca 0.31 -1.75 0.18 0.00 -0.15 0.00 0.00 54.97 53.55 1rjv s GLU 60 Cb -0.19 0.02 1.14 0.00 -0.44 0.00 0.00 34.13 34.66 1rjv s GLU 60 CO 0.18 -0.38 1.69 0.93 0.95 0.00 0.00 175.26 178.63 1rjv h GLU 61 N 2.44 0.31 -0.82 -4.83 4.39 -1.96 0.21 114.58 114.33 1rjv h GLU 61 Ca -0.36 -0.02 0.14 0.00 0.34 0.00 0.00 59.36 59.46 1rjv h GLU 61 Cb 1.25 -0.07 -0.06 0.00 -0.10 0.00 0.00 28.75 29.77 1rjv h GLU 61 CO 0.55 0.21 0.54 0.22 -1.16 0.00 0.00 179.01 179.36 1rjv h ASP 62 N 0.32 0.54 0.05 1.42 3.58 -2.01 -0.57 116.42 119.75 1rjv h ASP 62 Ca 0.71 0.03 -0.38 0.00 0.42 0.00 0.00 57.03 57.81 1rjv h ASP 62 Cb 1.76 -0.08 -0.05 0.00 1.72 0.00 0.00 39.33 42.68 1rjv h ASP 62 CO -0.49 0.28 -2.26 -0.62 -2.88 0.00 0.00 179.24 173.28 1rjv n GLU 63 N -4.52 0.69 -0.32 0.28 1.02 -0.14 -4.46 120.64 113.19 1rjv n GLU 63 Ca 0.16 0.21 0.18 0.00 -0.02 0.00 0.00 57.16 57.69 1rjv n GLU 63 Cb 0.48 -1.60 0.43 0.00 -0.02 0.00 0.00 31.44 30.73 1rjv n GLU 63 CO 0.00 0.00 0.00 1.25 1.18 0.00 0.00 177.13 179.56 1rjv h LEU 64 N -0.06 0.59 -2.24 -4.62 5.85 -0.72 0.48 115.31 114.59 1rjv h LEU 64 Ca -0.52 0.08 0.04 0.00 0.84 0.00 0.00 57.88 58.32 1rjv h LEU 64 Cb 1.92 -0.02 -0.01 0.00 0.37 0.00 0.00 40.66 42.92 1rjv h LEU 64 CO -0.04 0.18 0.25 1.23 -0.34 0.00 0.00 178.44 179.71 1rjv h GLY 65 N 0.56 0.00 -2.62 3.75 0.00 -1.33 -3.27 103.07 100.16 1rjv h GLY 65 Ca 0.56 0.00 -0.16 0.00 0.00 0.00 0.00 47.33 47.74 1rjv h GLY 65 CO -0.31 0.00 -0.63 1.97 0.00 0.00 0.00 176.54 177.57 1rjv n PHE 66 N -3.46 -0.04 -0.34 5.60 -1.74 -0.36 -0.58 117.46 116.55 1rjv n PHE 66 Ca 0.01 -0.59 0.29 0.00 -0.56 0.00 0.00 57.45 56.61 1rjv n PHE 66 Cb 0.35 0.24 0.62 0.00 1.52 0.00 0.00 39.48 42.21 1rjv n PHE 66 CO 0.00 0.00 0.00 0.97 -0.56 0.00 0.00 176.76 177.17 1rjv h ILE 67 N 5.83 0.43 -0.39 1.97 -0.00 -1.02 0.12 117.51 124.45 1rjv h ILE 67 Ca -0.41 -0.07 0.11 0.00 -0.00 0.00 0.00 64.86 64.49 1rjv h ILE 67 Cb 1.61 0.21 -0.02 0.00 -0.00 0.00 0.00 36.82 38.62 1rjv h ILE 67 CO -0.11 0.04 0.35 -0.07 -0.00 0.00 0.00 178.15 178.36 1rjv h LEU 68 N 0.21 0.00 0.00 2.19 3.38 -1.87 -1.11 115.31 118.10 1rjv h LEU 68 Ca 0.61 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.58 1rjv h LEU 68 Cb 1.93 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.68 1rjv h LEU 68 CO -0.19 0.00 0.00 1.17 0.09 0.00 0.00 178.44 179.51 1rjv n LYS 69 N -3.98 0.64 -0.09 1.13 0.00 0.43 -1.08 118.16 115.21 1rjv n LYS 69 Ca 0.07 0.00 -0.19 0.00 0.00 0.00 0.00 58.31 58.18 1rjv n LYS 69 Cb 0.53 -1.41 -0.12 0.00 0.00 0.00 0.00 35.03 34.03 1rjv n LYS 69 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.40 178.18 1rjv h GLY 70 N 3.31 0.00 0.94 3.14 0.00 -1.39 -3.42 103.07 105.66 1rjv h GLY 70 Ca 0.00 0.00 0.06 0.00 0.00 0.00 0.00 47.33 47.39 1rjv h GLY 70 CO 0.00 0.00 0.54 0.74 0.00 0.00 0.00 176.54 177.82 1rjv h PHE 71 N -1.00 0.94 -1.86 5.60 0.04 -1.20 -3.47 116.94 115.98 1rjv h PHE 71 Ca -0.23 0.02 0.34 0.00 2.80 0.00 0.00 57.97 60.91 1rjv h PHE 71 Cb 1.20 -0.31 -0.09 0.00 2.20 0.00 0.00 35.95 38.95 1rjv h PHE 71 CO 0.16 0.50 0.88 -1.12 -0.60 0.00 0.00 178.31 178.13 1rjv s SER 72 N -6.10 -0.01 1.21 2.17 0.01 -0.57 -4.91 113.70 105.50 1rjv s SER 72 Ca -0.11 -0.18 -0.19 0.00 1.31 0.00 0.00 55.95 56.79 1rjv s SER 72 Cb 0.20 0.15 0.29 0.00 0.21 0.00 0.00 66.02 66.86 1rjv s SER 72 CO 0.79 -0.29 1.09 -2.16 0.41 0.00 0.00 173.24 173.08 1rjv s PRO 73 N -2.15 -1.29 0.00 12.44 0.04 -1.26 -4.00 135.00 138.78 1rjv s PRO 73 Ca 0.24 0.01 0.00 0.00 0.04 0.00 0.00 61.00 61.29 1rjv s PRO 73 Cb 0.02 -1.58 0.00 0.00 0.04 0.00 0.00 34.50 32.98 1rjv s PRO 73 CO -0.02 -3.77 0.00 -0.25 0.04 0.00 0.00 177.00 173.00 1rjv n ASP 74 N -4.82 -0.72 -0.37 6.66 8.00 -1.26 -4.89 116.55 119.15 1rjv n ASP 74 Ca 0.12 0.00 -0.09 0.00 0.71 0.00 0.00 54.79 55.53 1rjv n ASP 74 Cb 0.59 -1.67 -0.08 0.00 -0.02 0.00 0.00 41.12 39.94 1rjv n ASP 74 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1rjv n ALA 75 N 1.00 -0.53 -1.00 2.24 0.00 -1.26 -5.02 120.51 115.94 1rjv n ALA 75 Ca 0.00 0.78 0.13 0.00 0.00 0.00 0.00 53.44 54.34 1rjv n ALA 75 Cb 0.05 -0.15 -0.05 0.00 0.00 0.00 0.00 19.45 19.29 1rjv n ALA 75 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1rjv n ARG 76 N -5.14 -2.21 -2.07 0.00 1.74 -1.26 -4.81 116.66 102.91 1rjv n ARG 76 Ca 0.03 1.70 -0.43 0.00 -0.77 0.00 0.00 57.85 58.38 1rjv n ARG 76 Cb 0.25 -2.62 -0.03 0.00 -1.02 0.00 0.00 32.46 29.04 1rjv n ARG 76 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1rjv s ASP 77 N -6.47 6.51 0.42 0.55 1.11 -1.26 -4.66 116.67 112.87 1rjv s ASP 77 Ca 0.00 1.89 -0.25 0.00 0.18 0.00 0.00 52.55 54.37 1rjv s ASP 77 Cb 0.00 -2.53 -0.08 0.00 1.07 0.00 0.00 42.92 41.37 1rjv s ASP 77 CO 0.00 -1.11 1.31 -0.76 1.18 0.00 0.00 175.17 175.79 1rjv s LEU 78 N 4.69 4.17 0.79 1.23 1.43 0.25 -4.99 118.68 126.25 1rjv s LEU 78 Ca 0.72 2.66 -0.13 0.00 -1.03 0.00 0.00 54.13 56.34 1rjv s LEU 78 Cb -0.28 -3.96 0.07 0.00 0.03 0.00 0.00 46.19 42.05 1rjv s LEU 78 CO 0.29 -0.93 1.19 -0.44 0.23 0.00 0.00 176.35 176.69 1rjv s SER 79 N -0.78 3.77 0.30 2.29 0.01 -0.44 -4.78 113.70 114.07 1rjv s SER 79 Ca 0.59 2.31 0.05 0.00 1.31 0.00 0.00 55.95 60.21 1rjv s SER 79 Cb -0.38 -2.58 0.75 0.00 0.21 0.00 0.00 66.02 64.02 1rjv s SER 79 CO 0.48 -2.55 1.74 0.00 0.41 0.00 0.00 173.24 173.33 1rjv h ALA 80 N -0.82 1.60 -0.03 1.44 0.00 -1.95 -0.08 119.26 119.41 1rjv h ALA 80 Ca -0.46 0.11 -0.14 0.00 0.00 0.00 0.00 54.91 54.42 1rjv h ALA 80 Cb 1.29 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 19.07 1rjv h ALA 80 CO 0.47 -0.18 -0.61 0.87 0.00 0.00 0.00 179.25 179.80 1rjv h LYS 81 N 0.61 0.10 0.63 0.00 1.79 -1.91 -1.21 116.57 116.59 1rjv h LYS 81 Ca 0.58 -0.07 -0.03 0.00 -2.18 0.00 0.00 60.65 58.94 1rjv h LYS 81 Cb 0.99 0.01 0.01 0.00 -1.58 0.00 0.00 32.23 31.66 1rjv h LYS 81 CO -0.44 0.68 -0.30 1.49 -1.08 0.00 0.00 179.45 179.80 1rjv h GLU 82 N 0.08 -0.81 -0.86 3.15 4.81 -1.21 -2.93 114.58 116.81 1rjv h GLU 82 Ca -0.01 0.06 0.09 0.00 -0.13 0.00 0.00 59.36 59.37 1rjv h GLU 82 Cb 1.09 0.19 -0.06 0.00 0.63 0.00 0.00 28.75 30.59 1rjv h GLU 82 CO 0.09 -0.54 0.56 0.00 -0.73 0.00 0.00 179.01 178.38 1rjv h THR 83 N -1.04 0.97 0.15 0.32 1.03 -1.27 0.76 112.91 113.83 1rjv h THR 83 Ca -0.09 -0.29 0.01 0.00 -0.01 0.00 0.00 66.41 66.03 1rjv h THR 83 Cb 0.65 0.05 -0.04 0.00 -1.07 0.00 0.00 68.15 67.74 1rjv h THR 83 CO 0.14 0.15 -0.49 0.50 -0.01 0.00 0.00 175.52 175.81 1rjv h LYS 84 N 0.84 -0.70 -0.32 0.00 3.64 -1.27 0.11 116.57 118.87 1rjv h LYS 84 Ca 0.40 0.05 -0.15 0.00 -1.27 0.00 0.00 60.65 59.68 1rjv h LYS 84 Cb 0.41 0.16 -0.00 0.00 -0.41 0.00 0.00 32.23 32.38 1rjv h LYS 84 CO -0.16 -0.47 -0.37 1.98 -2.27 0.00 0.00 179.45 178.15 1rjv h MET 85 N -0.73 0.82 -0.77 1.90 4.05 -1.20 -3.12 114.93 115.89 1rjv h MET 85 Ca -0.01 -0.45 0.09 0.00 -0.28 0.00 0.00 59.70 59.04 1rjv h MET 85 Cb 0.72 0.03 -0.07 0.00 -0.80 0.00 0.00 31.60 31.48 1rjv h MET 85 CO -0.25 1.09 0.42 1.25 0.23 0.00 0.00 176.91 179.65 1rjv h LEU 86 N 0.60 0.59 0.47 3.39 5.85 -0.81 0.20 115.31 125.60 1rjv h LEU 86 Ca 0.04 0.05 -0.01 0.00 0.84 0.00 0.00 57.88 58.80 1rjv h LEU 86 Cb 0.96 -0.06 -0.02 0.00 0.37 0.00 0.00 40.66 41.92 1rjv h LEU 86 CO 0.09 0.34 -0.40 -0.03 -0.34 0.00 0.00 178.44 178.10 1rjv h MET 87 N 0.72 -0.84 -0.36 1.25 4.05 -0.78 0.14 114.93 119.12 1rjv h MET 87 Ca 0.37 0.06 -0.02 0.00 -0.28 0.00 0.00 59.70 59.82 1rjv h MET 87 Cb 0.34 0.19 -0.02 0.00 -0.80 0.00 0.00 31.60 31.32 1rjv h MET 87 CO -0.25 -0.56 0.14 0.00 0.23 0.00 0.00 176.91 176.47 1rjv h ALA 88 N -0.54 0.46 0.04 0.39 0.00 -1.41 -2.50 119.26 115.71 1rjv h ALA 88 Ca -0.05 -0.14 -0.24 0.00 0.00 0.00 0.00 54.91 54.49 1rjv h ALA 88 Cb 0.75 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.38 1rjv h ALA 88 CO -0.03 0.07 -1.14 0.00 0.00 0.00 0.00 179.25 178.16 1rjv h ALA 89 N 0.98 0.30 -0.17 0.00 0.00 -0.64 -3.34 119.26 116.40 1rjv h ALA 89 Ca 0.12 -0.95 -0.05 0.00 0.00 0.00 0.00 54.91 54.03 1rjv h ALA 89 Cb 0.20 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 17.93 1rjv h ALA 89 CO -0.01 1.19 -0.10 0.78 0.00 0.00 0.00 179.25 181.11 1rjv h GLY 90 N 2.59 0.40 -6.07 0.00 0.00 -0.75 -3.27 103.07 95.97 1rjv h GLY 90 Ca -0.07 -0.37 -0.55 0.00 0.00 0.00 0.00 47.33 46.33 1rjv h GLY 90 CO 0.15 0.34 2.46 1.34 0.00 0.00 0.00 176.54 180.82 1rjv n ASP 91 N -4.59 3.48 0.00 0.19 2.03 -0.94 -4.67 116.55 112.05 1rjv n ASP 91 Ca -0.05 -2.55 0.02 0.00 0.52 0.00 0.00 54.79 52.72 1rjv n ASP 91 Cb 0.32 -1.13 0.08 0.00 -0.72 0.00 0.00 41.12 39.67 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 5.92 0.02 0.00 -0.67 2.85 -1.24 -2.27 118.16 122.78 1rjv n LYS 92 Ca 0.48 0.37 0.11 0.00 -1.05 0.00 0.00 58.31 58.21 1rjv n LYS 92 Cb 0.30 -1.50 -0.13 0.00 -0.65 0.00 0.00 35.03 33.05 1rjv n LYS 92 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 177.40 173.88 1rjv n ASP 93 N -1.42 0.27 -0.09 -5.58 2.03 -1.26 -5.02 116.55 105.48 1rjv n ASP 93 Ca 0.01 -0.15 -0.01 0.00 0.52 0.00 0.00 54.79 55.17 1rjv n ASP 93 Cb 0.04 1.63 -0.00 0.00 -0.72 0.00 0.00 41.12 42.06 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 1.30 0.41 0.08 0.27 0.00 -0.96 -4.98 105.19 101.31 1rjv n GLY 94 Ca -0.02 -0.98 -0.06 0.00 0.00 0.00 0.00 46.02 44.96 1rjv n GLY 94 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1rjv h ASP 95 N 0.00 0.00 0.00 1.61 3.32 -1.96 -3.49 116.42 115.91 1rjv h ASP 95 Ca -0.02 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.03 1rjv h ASP 95 Cb 0.41 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.96 1rjv h ASP 95 CO 0.03 0.91 0.00 0.61 -1.72 0.00 0.00 179.24 179.07 1rjv n GLY 96 N 1.41 0.78 3.01 2.75 0.00 -1.26 -5.09 105.19 106.80 1rjv n GLY 96 Ca -0.06 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.81 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 -0.60 0.49 0.04 1.61 3.01 -1.26 -4.85 119.74 118.18 1rjv s LYS 97 Ca 0.00 -0.48 -0.31 0.00 -1.01 0.00 0.00 55.97 54.18 1rjv s LYS 97 Cb 0.00 -0.37 -0.06 0.00 -1.01 0.00 0.00 37.83 36.38 1rjv s LYS 97 CO 0.00 0.09 1.41 0.42 0.51 0.00 0.00 175.35 177.78 1rjv s ILE 98 N -0.74 3.54 0.20 2.17 1.01 -0.93 -4.58 121.20 121.87 1rjv s ILE 98 Ca -0.04 1.01 0.07 0.00 0.00 0.00 0.00 60.65 61.69 1rjv s ILE 98 Cb -0.06 -3.65 -0.04 0.00 0.01 0.00 0.00 42.46 38.72 1rjv s ILE 98 CO 0.00 0.03 0.10 -0.83 0.00 0.00 0.00 174.94 174.24 1rjv s GLY 99 N 1.64 1.64 0.11 6.18 0.00 -1.26 -1.80 107.32 113.83 1rjv s GLY 99 Ca 0.65 -1.35 -0.32 0.00 0.00 0.00 0.00 44.72 43.70 1rjv s GLY 99 CO 0.28 -1.37 1.53 -0.24 0.00 0.00 0.00 173.10 173.30 1rjv h VAL 100 N 1.99 0.00 -0.62 1.40 3.04 -1.93 -0.39 116.25 119.74 1rjv h VAL 100 Ca -0.47 0.00 -0.07 0.00 -1.01 0.00 0.00 66.70 65.15 1rjv h VAL 100 Cb 1.22 0.00 -0.03 0.00 -2.01 0.00 0.00 31.29 30.47 1rjv h VAL 100 CO 0.61 0.00 0.13 -0.78 -1.01 0.00 0.00 177.57 176.52 1rjv h ASP 101 N -0.52 0.94 0.22 3.17 3.58 -1.97 0.12 116.42 121.96 1rjv h ASP 101 Ca 0.04 -0.20 0.00 0.00 0.42 0.00 0.00 57.03 57.29 1rjv h ASP 101 Cb 0.63 -0.25 -0.02 0.00 1.72 0.00 0.00 39.33 41.42 1rjv h ASP 101 CO -0.46 0.92 -0.22 -0.33 -2.88 0.00 0.00 179.24 176.28 1rjv h GLU 102 N 0.94 -0.46 -0.74 0.28 5.08 -1.94 -2.52 114.58 115.23 1rjv h GLU 102 Ca 0.20 0.03 -0.03 0.00 -1.00 0.00 0.00 59.36 58.56 1rjv h GLU 102 Cb 0.37 0.10 -0.03 0.00 0.50 0.00 0.00 28.75 29.69 1rjv h GLU 102 CO 0.01 -0.30 0.36 0.35 -1.00 0.00 0.00 179.01 178.42 1rjv h PHE 103 N -0.47 1.06 -0.96 4.33 3.57 -0.47 0.34 116.94 124.33 1rjv h PHE 103 Ca -0.00 -0.05 0.19 0.00 3.53 0.00 0.00 57.97 61.64 1rjv h PHE 103 Cb 0.44 -0.33 -0.08 0.00 2.79 0.00 0.00 35.95 38.77 1rjv h PHE 103 CO -0.15 0.78 0.61 1.03 -2.23 0.00 0.00 178.31 178.34 1rjv h SER 104 N 1.03 0.60 0.00 0.41 0.87 -0.70 -3.08 113.55 112.68 1rjv h SER 104 Ca 0.25 0.07 -0.24 0.00 -1.23 0.00 0.00 61.79 60.64 1rjv h SER 104 Cb 0.11 -0.04 -0.04 0.00 -0.44 0.00 0.00 62.40 61.98 1rjv h SER 104 CO -0.03 0.23 -2.07 0.35 -0.53 0.00 0.00 176.83 174.78 1rjv n THR 105 N -4.62 0.89 -0.28 2.23 -2.24 -0.91 -4.17 114.28 105.19 1rjv n THR 105 Ca 0.21 -0.64 0.07 0.00 -2.27 0.00 0.00 64.05 61.42 1rjv n THR 105 Cb 0.63 -0.42 0.30 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 0.79 -0.12 3.22 7.12 -0.30 -1.80 115.31 124.21 1rjv h LEU 106 Ca -0.35 0.02 0.00 0.00 0.13 0.00 0.00 57.88 57.68 1rjv h LEU 106 Cb 1.76 -0.14 0.00 0.00 -0.53 0.00 0.00 40.66 41.75 1rjv h LEU 106 CO 0.02 0.46 0.00 -0.37 -0.13 0.00 0.00 178.44 178.42 1rjv h VAL 107 N 0.87 0.00 0.00 1.05 -1.51 -1.72 -3.19 116.25 111.75 1rjv h VAL 107 Ca 0.41 -0.73 -0.03 0.00 -1.23 0.00 0.00 66.70 65.12 1rjv h VAL 107 Cb 0.41 1.72 -0.00 0.00 -2.13 0.00 0.00 31.29 31.28 1rjv h VAL 107 CO -0.17 0.00 -0.14 0.00 -1.23 0.00 0.00 177.57 176.03 1rjv h ALA 108 N 2.22 1.02 -0.00 5.19 0.00 -1.49 -0.97 119.26 125.23 1rjv h ALA 108 Ca 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.79 1rjv h ALA 108 Cb 0.84 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.61 1rjv h ALA 108 CO 0.00 0.17 0.03 0.93 0.00 0.00 0.00 179.25 180.38 1rjv h GLU 109 N 0.00 0.00 0.00 0.00 4.39 -1.56 -3.52 114.58 113.89 1rjv h GLU 109 Ca -0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1rjv h GLU 109 Cb 0.66 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.31 1rjv h GLU 109 CO 0.02 0.00 0.00 -1.13 -1.16 0.00 0.00 179.01 176.74