#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 -4.17 -0.31 3.17 7.64 -1.26 -4.55 113.62 114.14 1rjv n SER 2 Ca 0.00 0.48 0.15 0.00 1.01 0.00 0.00 58.87 60.50 1rjv n SER 2 Cb 0.00 -2.57 0.33 0.00 -1.01 0.00 0.00 64.21 60.96 1rjv n SER 2 CO 0.00 0.00 0.00 0.24 -3.01 0.00 0.00 175.04 172.27 1rjv h MET 3 N 1.05 0.38 -0.90 1.43 2.07 -1.92 0.86 114.93 117.90 1rjv h MET 3 Ca 0.00 -0.02 0.22 0.00 -2.07 0.00 0.00 59.70 57.83 1rjv h MET 3 Cb 0.05 -0.08 -0.06 0.00 -1.87 0.00 0.00 31.60 29.63 1rjv h MET 3 CO 0.04 0.25 0.60 1.15 1.07 0.00 0.00 176.91 180.02 1rjv h THR 4 N 0.39 0.64 0.01 2.22 2.02 -1.89 0.27 112.91 116.57 1rjv h THR 4 Ca 0.58 -0.10 -0.37 0.00 0.77 0.00 0.00 66.41 67.29 1rjv h THR 4 Cb 1.15 0.32 -0.07 0.00 -1.74 0.00 0.00 68.15 67.81 1rjv h THR 4 CO -0.55 0.05 -2.37 -0.67 0.37 0.00 0.00 175.52 172.36 1rjv n ASP 5 N -4.46 1.00 -0.05 4.18 2.03 0.22 -3.07 116.55 116.39 1rjv n ASP 5 Ca 0.19 -0.03 -0.11 0.00 0.52 0.00 0.00 54.79 55.36 1rjv n ASP 5 Cb 0.77 0.25 -0.05 0.00 -0.72 0.00 0.00 41.12 41.36 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 0.26 0.00 -2.67 3.38 -1.24 -3.44 115.31 111.61 1rjv h LEU 6 Ca -0.54 -0.22 0.00 0.00 0.09 0.00 0.00 57.88 57.21 1rjv h LEU 6 Cb 2.08 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 42.76 1rjv h LEU 6 CO -0.02 0.41 0.00 0.18 0.09 0.00 0.00 178.44 179.11 1rjv n LEU 7 N -4.80 0.00 -3.31 1.67 4.77 0.95 -4.99 117.00 111.28 1rjv n LEU 7 Ca -0.04 0.00 0.03 0.00 -0.03 0.00 0.00 56.01 55.96 1rjv n LEU 7 Cb 0.16 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.21 1rjv n LEU 7 CO 0.35 0.00 0.68 0.20 -1.33 0.00 0.00 177.39 177.29 1rjv s ASN 8 N -0.96 -0.44 0.44 -1.43 -0.87 -1.19 -4.94 114.94 105.55 1rjv s ASN 8 Ca 0.00 0.55 0.20 0.00 -1.57 0.00 0.00 52.86 52.03 1rjv s ASN 8 Cb 0.00 1.48 1.15 0.00 -0.02 0.00 0.00 41.25 43.86 1rjv s ASN 8 CO 0.00 -0.08 1.88 0.00 -2.57 0.00 0.00 177.10 176.33 1rjv h ALA 9 N 7.46 2.29 0.46 0.60 0.00 -1.83 0.13 119.26 128.37 1rjv h ALA 9 Ca -0.15 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.75 1rjv h ALA 9 Cb 1.13 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.90 1rjv h ALA 9 CO 0.05 -0.55 -0.22 0.93 0.00 0.00 0.00 179.25 179.46 1rjv h GLU 10 N 0.33 -0.60 -0.52 0.00 3.07 -1.96 -0.73 114.58 114.16 1rjv h GLU 10 Ca 0.43 0.04 -0.04 0.00 -0.50 0.00 0.00 59.36 59.29 1rjv h GLU 10 Cb 1.16 0.14 -0.02 0.00 -0.84 0.00 0.00 28.75 29.19 1rjv h GLU 10 CO -0.13 -0.37 0.17 -0.44 -1.40 0.00 0.00 179.01 176.84 1rjv h ASP 11 N -0.68 0.75 -0.78 1.42 5.19 -1.72 -2.99 116.42 117.62 1rjv h ASP 11 Ca -0.06 -0.20 0.08 0.00 -0.62 0.00 0.00 57.03 56.23 1rjv h ASP 11 Cb 0.51 -0.20 -0.05 0.00 0.18 0.00 0.00 39.33 39.77 1rjv h ASP 11 CO 0.10 0.75 0.51 0.40 -3.12 0.00 0.00 179.24 177.88 1rjv h ILE 12 N 0.71 0.99 -0.32 0.35 5.03 -0.60 0.41 117.51 124.08 1rjv h ILE 12 Ca 0.17 -0.26 0.03 0.00 -0.12 0.00 0.00 64.86 64.68 1rjv h ILE 12 Cb 0.26 0.16 -0.03 0.00 -3.03 0.00 0.00 36.82 34.17 1rjv h ILE 12 CO -0.01 0.14 0.12 0.11 -0.68 0.00 0.00 178.15 177.83 1rjv h LYS 13 N 0.76 0.25 -0.03 2.37 1.57 -0.98 0.14 116.57 120.66 1rjv h LYS 13 Ca 0.35 -0.02 -0.08 0.00 -1.87 0.00 0.00 60.65 59.03 1rjv h LYS 13 Cb 0.35 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.59 1rjv h LYS 13 CO -0.13 0.17 -0.36 0.87 -0.57 0.00 0.00 179.45 179.43 1rjv h LYS 14 N 0.26 0.06 0.46 3.15 1.79 -1.38 -0.94 116.57 119.96 1rjv h LYS 14 Ca 0.14 -0.02 -0.02 0.00 -2.18 0.00 0.00 60.65 58.57 1rjv h LYS 14 Cb 0.10 -0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.75 1rjv h LYS 14 CO -0.14 0.42 -0.22 0.00 -1.08 0.00 0.00 179.45 178.43 1rjv h ALA 15 N 1.58 -1.16 -0.68 3.86 0.00 -0.36 -2.26 119.26 120.24 1rjv h ALA 15 Ca 0.00 -0.13 0.11 0.00 0.00 0.00 0.00 54.91 54.89 1rjv h ALA 15 Cb 0.67 0.24 -0.08 0.00 0.00 0.00 0.00 17.79 18.62 1rjv h ALA 15 CO 0.05 -1.12 0.27 0.28 0.00 0.00 0.00 179.25 178.73 1rjv h VAL 16 N -0.61 0.73 0.00 0.00 2.07 -0.69 -0.11 116.25 117.65 1rjv h VAL 16 Ca -0.06 -0.15 -0.00 0.00 0.82 0.00 0.00 66.70 67.30 1rjv h VAL 16 Cb 0.47 0.25 -0.00 0.00 -1.52 0.00 0.00 31.29 30.49 1rjv h VAL 16 CO 0.10 0.08 -0.02 1.23 0.02 0.00 0.00 177.57 178.98 1rjv h GLY 17 N 0.44 0.00 1.99 2.17 0.00 -1.19 0.11 103.07 106.59 1rjv h GLY 17 Ca 0.35 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.68 1rjv h GLY 17 CO -0.34 0.00 -0.01 0.00 0.00 0.00 0.00 176.54 176.19 1rjv n ALA 18 N -2.20 2.31 -0.01 3.60 0.00 -0.06 -3.86 120.51 120.29 1rjv n ALA 18 Ca -0.03 -0.05 0.00 0.00 0.00 0.00 0.00 53.44 53.36 1rjv n ALA 18 Cb 0.12 -1.47 0.00 0.00 0.00 0.00 0.00 19.45 18.10 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 -2.02 0.00 -0.15 0.00 3.72 -0.17 -3.43 117.46 115.41 1rjv n PHE 19 Ca 0.06 0.00 -0.01 0.00 -0.05 0.00 0.00 57.45 57.45 1rjv n PHE 19 Cb 0.40 0.00 -0.01 0.00 -0.94 0.00 0.00 39.48 38.93 1rjv n PHE 19 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 1rjv n SER 20 N -0.46 1.22 -3.79 4.37 7.64 0.19 -4.73 113.62 118.06 1rjv n SER 20 Ca 0.00 -1.45 -0.10 0.00 1.01 0.00 0.00 58.87 58.33 1rjv n SER 20 Cb 0.00 -0.28 -0.06 0.00 -1.01 0.00 0.00 64.21 62.86 1rjv n SER 20 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1rjv s ALA 21 N 1.87 -0.52 -0.34 -0.43 0.00 -1.26 -5.04 121.76 116.03 1rjv s ALA 21 Ca 0.05 -0.43 -0.18 0.00 0.00 0.00 0.00 51.96 51.40 1rjv s ALA 21 Cb 0.02 0.69 -0.00 0.00 0.00 0.00 0.00 23.12 23.83 1rjv s ALA 21 CO 0.00 -0.63 0.53 0.95 0.00 0.00 0.00 175.76 176.62 1rjv s THR 22 N -3.87 5.00 0.00 0.00 -4.23 -1.26 -4.31 115.64 106.97 1rjv s THR 22 Ca 0.08 0.44 0.00 0.00 -1.18 0.00 0.00 61.69 61.02 1rjv s THR 22 Cb 0.03 -3.97 0.00 0.00 1.34 0.00 0.00 72.50 69.90 1rjv s THR 22 CO -0.08 -0.20 0.00 -0.67 -0.54 0.00 0.00 174.62 173.13 1rjv n ASP 23 N 5.77 0.00 -1.55 3.99 2.03 -1.26 -4.87 116.55 120.67 1rjv n ASP 23 Ca -0.04 0.00 -0.07 0.00 0.52 0.00 0.00 54.79 55.20 1rjv n ASP 23 Cb 0.49 -0.92 0.03 0.00 -0.72 0.00 0.00 41.12 40.00 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 4.99 -4.62 1.67 2.88 -1.26 -4.86 113.62 112.41 1rjv n SER 24 Ca 0.00 -2.61 -0.43 0.00 -1.33 0.00 0.00 58.87 54.50 1rjv n SER 24 Cb 0.00 -0.92 -0.02 0.00 -0.75 0.00 0.00 64.21 62.52 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 -0.83 2.67 -0.76 0.66 5.36 -1.26 -4.85 117.98 118.96 1rjv s PHE 25 Ca 0.14 0.83 -0.01 0.00 -0.96 0.00 0.00 56.93 56.93 1rjv s PHE 25 Cb 0.11 -4.06 0.38 0.00 -0.34 0.00 0.00 43.02 39.12 1rjv s PHE 25 CO 0.01 -1.65 1.96 -3.47 -1.46 0.00 0.00 175.22 170.61 1rjv n ASP 26 N 7.89 7.36 -0.30 6.13 -0.08 -1.22 -4.85 116.55 131.48 1rjv n ASP 26 Ca 0.15 -3.82 0.10 0.00 -1.51 0.00 0.00 54.79 49.71 1rjv n ASP 26 Cb 0.47 -0.99 0.22 0.00 2.34 0.00 0.00 41.12 43.17 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 2.68 -0.01 0.00 -0.67 2.07 -1.92 0.41 115.15 117.72 1rjv h HIS 27 Ca 0.56 0.06 0.00 0.00 -2.85 0.00 0.00 60.37 58.14 1rjv h HIS 27 Cb 0.33 0.14 0.00 0.00 2.57 0.00 0.00 27.41 30.45 1rjv h HIS 27 CO 1.22 -0.31 0.00 1.63 -3.07 0.00 0.00 177.93 177.40 1rjv n LYS 28 N -5.39 0.00 0.14 5.12 5.02 -1.26 -1.77 118.16 120.03 1rjv n LYS 28 Ca 0.18 0.75 0.02 0.00 -2.02 0.00 0.00 58.31 57.24 1rjv n LYS 28 Cb 0.61 -1.14 0.14 0.00 -0.02 0.00 0.00 35.03 34.61 1rjv n LYS 28 CO 0.00 0.00 0.00 0.87 -0.52 0.00 0.00 177.40 177.75 1rjv h LYS 29 N 0.00 0.00 0.45 1.97 1.57 -0.81 -2.97 116.57 116.78 1rjv h LYS 29 Ca 0.00 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.76 1rjv h LYS 29 Cb 0.00 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.30 1rjv h LYS 29 CO 0.00 0.55 -0.36 0.35 -0.57 0.00 0.00 179.45 179.42 1rjv h PHE 30 N 0.00 -0.99 -0.03 -1.35 3.57 -0.23 0.39 116.94 118.31 1rjv h PHE 30 Ca -0.01 0.00 0.01 0.00 3.53 0.00 0.00 57.97 61.50 1rjv h PHE 30 Cb 1.23 0.37 -0.00 0.00 2.79 0.00 0.00 35.95 40.34 1rjv h PHE 30 CO 0.00 -0.50 0.02 0.74 -2.23 0.00 0.00 178.31 176.34 1rjv h PHE 31 N -0.79 0.00 0.12 0.41 -1.00 -1.40 0.35 116.94 114.63 1rjv h PHE 31 Ca -0.06 0.00 -0.01 0.00 2.81 0.00 0.00 57.97 60.72 1rjv h PHE 31 Cb 0.66 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.22 1rjv h PHE 31 CO -0.14 0.00 -0.06 1.96 -1.61 0.00 0.00 178.31 178.46 1rjv h GLN 32 N 0.00 -0.16 -0.38 1.51 4.20 -1.34 -0.64 115.11 118.30 1rjv h GLN 32 Ca 0.01 0.01 -0.01 0.00 0.06 0.00 0.00 58.65 58.72 1rjv h GLN 32 Cb 0.06 0.04 -0.02 0.00 0.30 0.00 0.00 27.48 27.86 1rjv h GLN 32 CO -0.00 0.32 0.18 0.52 -0.67 0.00 0.00 178.83 179.19 1rjv h MET 33 N -0.78 0.55 0.00 1.46 2.86 0.19 -1.01 114.93 118.20 1rjv h MET 33 Ca -0.02 -0.08 0.00 0.00 -2.06 0.00 0.00 59.70 57.54 1rjv h MET 33 Cb 0.55 -0.10 0.00 0.00 0.06 0.00 0.00 31.60 32.11 1rjv h MET 33 CO 0.03 0.48 0.00 1.55 1.06 0.00 0.00 176.91 180.03 1rjv n VAL 34 N -4.71 1.11 -1.42 -2.22 3.14 0.08 -4.68 118.33 109.63 1rjv n VAL 34 Ca -0.00 0.28 -0.14 0.00 -2.96 0.00 0.00 64.34 61.51 1rjv n VAL 34 Cb 0.11 -1.07 -0.06 0.00 -1.06 0.00 0.00 33.84 31.75 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 -0.26 1.41 0.41 7.55 0.00 -0.39 -4.68 105.19 109.24 1rjv n GLY 35 Ca 0.03 -0.07 -0.14 0.00 0.00 0.00 0.00 46.02 45.84 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 -1.22 -1.07 0.99 3.38 -1.36 0.12 115.31 116.15 1rjv h LEU 36 Ca -0.30 0.14 0.00 0.00 0.09 0.00 0.00 57.88 57.81 1rjv h LEU 36 Cb 1.17 0.46 0.00 0.00 0.09 0.00 0.00 40.66 42.38 1rjv h LEU 36 CO 0.43 -0.48 0.45 0.11 0.09 0.00 0.00 178.44 179.05 1rjv h LYS 37 N -0.64 0.00 0.00 1.13 1.57 -1.90 0.03 116.57 116.77 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 0.67 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.98 1rjv h LYS 37 CO -0.25 0.00 -1.80 1.63 -0.57 0.00 0.00 179.45 178.46 1rjv n LYS 38 N -2.38 0.59 -1.94 3.15 5.02 0.36 -4.93 118.16 118.03 1rjv n LYS 38 Ca -0.01 -0.15 -0.29 0.00 -2.02 0.00 0.00 58.31 55.84 1rjv n LYS 38 Cb 0.48 -1.55 0.08 0.00 -0.02 0.00 0.00 35.03 34.02 1rjv n LYS 38 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 1rjv s LYS 39 N -3.46 2.21 0.60 1.97 -0.14 -0.00 -5.07 119.74 115.85 1rjv s LYS 39 Ca -0.06 0.15 -0.15 0.00 -1.36 0.00 0.00 55.97 54.55 1rjv s LYS 39 Cb 0.14 -2.00 -0.04 0.00 -1.68 0.00 0.00 37.83 34.25 1rjv s LYS 39 CO 0.89 -1.41 1.05 -1.12 -0.76 0.00 0.00 175.35 174.00 1rjv s SER 40 N -4.52 5.87 0.27 2.83 0.01 -1.26 -4.90 113.70 112.00 1rjv s SER 40 Ca 0.61 1.74 -0.01 0.00 1.31 0.00 0.00 55.95 59.60 1rjv s SER 40 Cb -0.11 -2.52 0.47 0.00 0.21 0.00 0.00 66.02 64.07 1rjv s SER 40 CO 0.49 -1.11 1.84 0.00 0.41 0.00 0.00 173.24 174.87 1rjv h ALA 41 N 0.34 1.39 0.00 1.44 0.00 -1.96 -0.36 119.26 120.10 1rjv h ALA 41 Ca -0.46 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.46 1rjv h ALA 41 Cb 1.21 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.79 1rjv h ALA 41 CO 0.58 0.25 0.00 0.22 0.00 0.00 0.00 179.25 180.30 1rjv h ASP 42 N 0.99 0.00 -0.03 0.00 3.58 -2.00 -2.40 116.42 116.56 1rjv h ASP 42 Ca 0.45 0.00 -0.04 0.00 0.42 0.00 0.00 57.03 57.86 1rjv h ASP 42 Cb 0.36 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.42 1rjv h ASP 42 CO -0.23 0.00 -0.13 -0.78 -2.88 0.00 0.00 179.24 175.22 1rjv h ASP 43 N 0.00 0.16 -1.16 2.28 3.58 -1.48 -3.29 116.42 116.52 1rjv h ASP 43 Ca 0.00 -0.65 0.33 0.00 0.42 0.00 0.00 57.03 57.12 1rjv h ASP 43 Cb 0.55 -0.05 -0.08 0.00 1.72 0.00 0.00 39.33 41.46 1rjv h ASP 43 CO 0.00 0.79 0.78 0.58 -2.88 0.00 0.00 179.24 178.51 1rjv h VAL 44 N -0.45 0.41 -0.27 2.25 2.07 -0.87 0.33 116.25 119.72 1rjv h VAL 44 Ca -0.01 -0.07 -0.01 0.00 0.82 0.00 0.00 66.70 67.44 1rjv h VAL 44 Cb 0.78 0.19 -0.01 0.00 -1.52 0.00 0.00 31.29 30.73 1rjv h VAL 44 CO 0.03 0.04 0.15 0.50 0.02 0.00 0.00 177.57 178.30 1rjv h LYS 45 N 0.20 0.37 0.01 1.57 3.64 -1.51 -2.37 116.57 118.48 1rjv h LYS 45 Ca 0.63 -0.03 -0.30 0.00 -1.27 0.00 0.00 60.65 59.68 1rjv h LYS 45 Cb 1.98 -0.08 -0.05 0.00 -0.41 0.00 0.00 32.23 33.68 1rjv h LYS 45 CO -0.21 0.27 -1.75 1.63 -2.27 0.00 0.00 179.45 177.13 1rjv n LYS 46 N -4.46 0.64 0.00 1.90 4.01 0.10 -3.85 118.16 116.50 1rjv n LYS 46 Ca 0.01 0.29 0.00 0.00 -0.51 0.00 0.00 58.31 58.10 1rjv n LYS 46 Cb 0.10 -1.78 0.00 0.00 -0.51 0.00 0.00 35.03 32.84 1rjv n LYS 46 CO 0.00 0.00 0.00 0.28 -1.11 0.00 0.00 177.40 176.57 1rjv n VAL 47 N -3.06 0.00 -0.34 -0.18 0.31 -0.30 -2.30 118.33 112.46 1rjv n VAL 47 Ca -0.18 1.47 0.21 0.00 -0.01 0.00 0.00 64.34 65.83 1rjv n VAL 47 Cb 1.06 -2.20 0.46 0.00 -0.91 0.00 0.00 33.84 32.25 1rjv n VAL 47 CO 0.00 0.00 0.00 0.15 -1.32 0.00 0.00 176.83 175.66 1rjv h PHE 48 N 0.00 0.80 0.00 3.52 3.57 -1.64 -1.58 116.94 121.62 1rjv h PHE 48 Ca 0.00 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.53 1rjv h PHE 48 Cb 0.00 -0.23 0.00 0.00 2.79 0.00 0.00 35.95 38.51 1rjv h PHE 48 CO -0.38 0.04 0.00 1.25 -2.23 0.00 0.00 178.31 177.00 1rjv h HIS 49 N 0.45 0.00 -0.00 0.41 2.76 -1.56 -0.97 115.15 116.24 1rjv h HIS 49 Ca 0.63 0.00 -0.19 0.00 -2.20 0.00 0.00 60.37 58.61 1rjv h HIS 49 Cb 1.45 0.00 0.02 0.00 1.55 0.00 0.00 27.41 30.42 1rjv h HIS 49 CO -0.00 0.00 -0.73 1.98 -1.30 0.00 0.00 177.93 177.87 1rjv h MET 50 N 0.00 0.50 -0.01 5.26 1.85 -1.12 -3.33 114.93 118.06 1rjv h MET 50 Ca 0.00 -0.53 -0.10 0.00 -0.61 0.00 0.00 59.70 58.45 1rjv h MET 50 Cb 0.27 0.15 -0.01 0.00 0.43 0.00 0.00 31.60 32.43 1rjv h MET 50 CO 0.00 1.17 -0.48 -0.07 -0.40 0.00 0.00 176.91 177.13 1rjv h LEU 51 N 0.04 0.04 -7.30 3.39 -0.00 -1.41 -3.29 115.31 106.77 1rjv h LEU 51 Ca -0.09 -0.02 -0.42 0.00 -0.00 0.00 0.00 57.88 57.35 1rjv h LEU 51 Cb 1.43 -0.01 0.08 0.00 -0.00 0.00 0.00 40.66 42.15 1rjv h LEU 51 CO 0.14 0.51 1.12 -0.67 -0.00 0.00 0.00 178.44 179.55 1rjv n ASP 52 N -3.97 1.53 0.00 -0.43 2.03 -0.46 -4.77 116.55 110.48 1rjv n ASP 52 Ca -0.02 -2.55 0.03 0.00 0.52 0.00 0.00 54.79 52.77 1rjv n ASP 52 Cb 0.50 -1.05 0.15 0.00 -0.72 0.00 0.00 41.12 40.00 1rjv n ASP 52 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 1rjv n LYS 53 N 7.91 0.68 0.00 -0.67 4.76 -1.24 -2.94 118.16 126.65 1rjv n LYS 53 Ca 0.46 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.90 1rjv n LYS 53 Cb 0.44 -1.12 0.00 0.00 -1.84 0.00 0.00 35.03 32.51 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 -0.62 3.73 0.00 4.39 5.75 -1.26 -5.07 116.55 123.47 1rjv n ASP 54 Ca 0.04 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.82 1rjv n ASP 54 Cb 0.02 0.68 0.00 0.00 -1.03 0.00 0.00 41.12 40.79 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 -1.20 0.00 0.04 0.11 4.76 -1.15 -5.03 118.16 115.68 1rjv n LYS 55 Ca 0.00 0.09 0.13 0.00 -2.87 0.00 0.00 58.31 55.66 1rjv n LYS 55 Cb 0.06 -0.84 0.49 0.00 -1.84 0.00 0.00 35.03 32.90 1rjv n LYS 55 CO 0.00 0.00 0.00 -1.13 -1.37 0.00 0.00 177.40 174.90 1rjv n SER 56 N 0.34 0.35 0.00 4.39 3.41 -1.26 -4.95 113.62 115.91 1rjv n SER 56 Ca 0.00 0.44 0.00 0.00 -0.26 0.00 0.00 58.87 59.05 1rjv n SER 56 Cb 0.00 -0.49 0.00 0.00 -0.26 0.00 0.00 64.21 63.46 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 1.43 0.76 3.02 5.00 0.00 -1.26 -5.06 105.19 109.08 1rjv n GLY 57 Ca 0.06 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.99 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 -2.90 0.25 -0.11 1.61 0.08 -1.26 -4.76 117.98 110.90 1rjv s PHE 58 Ca 0.00 -0.54 0.01 0.00 0.12 0.00 0.00 56.93 56.53 1rjv s PHE 58 Cb 0.00 -0.19 -0.02 0.00 -0.57 0.00 0.00 43.02 42.25 1rjv s PHE 58 CO 0.00 -0.24 -0.15 0.42 -0.10 0.00 0.00 175.22 175.15 1rjv s ILE 59 N -1.85 2.93 0.36 0.64 1.01 -0.72 -4.78 121.20 118.79 1rjv s ILE 59 Ca -0.12 -0.72 0.09 0.00 0.00 0.00 0.00 60.65 59.90 1rjv s ILE 59 Cb -0.07 -2.20 -0.06 0.00 0.01 0.00 0.00 42.46 40.14 1rjv s ILE 59 CO -0.02 0.54 -0.03 -1.83 0.00 0.00 0.00 174.94 173.60 1rjv s GLU 60 N 0.14 1.94 0.44 2.79 1.03 -1.26 -1.52 118.70 122.25 1rjv s GLU 60 Ca -0.08 -1.91 0.21 0.00 0.03 0.00 0.00 54.97 53.22 1rjv s GLU 60 Cb -0.15 -1.77 1.17 0.00 -0.80 0.00 0.00 34.13 32.57 1rjv s GLU 60 CO 0.05 0.10 1.84 1.05 -1.33 0.00 0.00 175.26 176.97 1rjv h GLU 61 N 1.89 0.32 0.22 -4.83 -0.00 -1.94 0.53 114.58 110.77 1rjv h GLU 61 Ca -0.43 -0.02 0.01 0.00 -0.00 0.00 0.00 59.36 58.93 1rjv h GLU 61 Cb 1.25 -0.07 -0.03 0.00 -0.00 0.00 0.00 28.75 29.90 1rjv h GLU 61 CO 0.71 0.21 -0.34 0.22 -0.00 0.00 0.00 179.01 179.81 1rjv h ASP 62 N 0.33 -0.96 0.42 3.06 1.82 -2.01 0.15 116.42 119.23 1rjv h ASP 62 Ca 0.50 0.10 -0.20 0.00 -0.39 0.00 0.00 57.03 57.03 1rjv h ASP 62 Cb 1.37 0.35 -0.00 0.00 0.68 0.00 0.00 39.33 41.72 1rjv h ASP 62 CO -0.17 -0.45 -0.86 -0.33 -1.61 0.00 0.00 179.24 175.82 1rjv h GLU 63 N -0.63 0.32 -0.99 0.28 5.08 -1.73 -3.26 114.58 113.65 1rjv h GLU 63 Ca 0.01 -0.32 0.06 0.00 -1.00 0.00 0.00 59.36 58.11 1rjv h GLU 63 Cb 0.62 0.09 -0.06 0.00 0.50 0.00 0.00 28.75 29.89 1rjv h GLU 63 CO -0.14 1.00 0.64 1.25 -1.00 0.00 0.00 179.01 180.76 1rjv h LEU 64 N 0.19 1.03 -1.34 1.33 6.46 -0.71 -2.04 115.31 120.23 1rjv h LEU 64 Ca -0.05 0.01 0.14 0.00 -0.12 0.00 0.00 57.88 57.86 1rjv h LEU 64 Cb 1.47 -0.21 -0.02 0.00 -0.73 0.00 0.00 40.66 41.17 1rjv h LEU 64 CO 0.14 0.67 0.79 1.23 -0.62 0.00 0.00 178.44 180.64 1rjv h GLY 65 N 1.17 0.00 -2.33 3.75 0.00 -1.00 -1.77 103.07 102.89 1rjv h GLY 65 Ca 0.42 0.00 -0.12 0.00 0.00 0.00 0.00 47.33 47.63 1rjv h GLY 65 CO -0.16 0.00 -0.85 1.97 0.00 0.00 0.00 176.54 177.49 1rjv n PHE 66 N -3.21 0.00 -0.32 5.60 -1.74 -1.01 -1.36 117.46 115.42 1rjv n PHE 66 Ca 0.10 -0.33 0.00 0.00 -0.56 0.00 0.00 57.45 56.66 1rjv n PHE 66 Cb 0.96 -0.11 0.07 0.00 1.52 0.00 0.00 39.48 41.92 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 6.98 0.08 -0.18 1.97 -0.00 -0.60 0.55 117.51 126.30 1rjv h ILE 67 Ca -0.16 0.00 0.05 0.00 -0.00 0.00 0.00 64.86 64.75 1rjv h ILE 67 Cb 1.73 0.08 -0.01 0.00 -0.00 0.00 0.00 36.82 38.62 1rjv h ILE 67 CO 0.06 0.00 0.31 0.17 -0.00 0.00 0.00 178.15 178.69 1rjv h LEU 68 N -0.03 0.00 0.00 2.19 -0.00 -1.89 -0.35 115.31 115.23 1rjv h LEU 68 Ca 0.36 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 58.24 1rjv h LEU 68 Cb 0.61 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.27 1rjv h LEU 68 CO -0.90 0.00 0.00 1.17 -0.00 0.00 0.00 178.44 178.71 1rjv n LYS 69 N -3.39 0.13 0.03 0.17 4.81 0.18 -0.99 118.16 119.10 1rjv n LYS 69 Ca 0.02 0.18 0.11 0.00 -0.87 0.00 0.00 58.31 57.75 1rjv n LYS 69 Cb 0.42 -1.50 0.03 0.00 0.02 0.00 0.00 35.03 34.00 1rjv n LYS 69 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1rjv n GLY 70 N 0.04 -1.24 0.12 3.14 0.00 -0.14 -4.16 105.19 102.95 1rjv n GLY 70 Ca 0.06 -0.38 -0.16 0.00 0.00 0.00 0.00 46.02 45.54 1rjv n GLY 70 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 1rjv h PHE 71 N 0.00 0.40 -2.18 1.61 0.04 -1.18 -3.45 116.94 112.19 1rjv h PHE 71 Ca 0.00 -0.21 0.22 0.00 2.80 0.00 0.00 57.97 60.77 1rjv h PHE 71 Cb 0.75 -0.05 -0.08 0.00 2.20 0.00 0.00 35.95 38.78 1rjv h PHE 71 CO 0.00 1.01 0.61 -1.12 -0.60 0.00 0.00 178.31 178.21 1rjv s SER 72 N -6.47 -0.09 1.26 2.17 0.01 -0.90 -4.81 113.70 104.87 1rjv s SER 72 Ca -0.15 -0.41 -0.18 0.00 1.31 0.00 0.00 55.95 56.52 1rjv s SER 72 Cb 0.02 0.40 0.31 0.00 0.21 0.00 0.00 66.02 66.96 1rjv s SER 72 CO 0.77 -0.76 1.02 -2.16 0.41 0.00 0.00 173.24 172.52 1rjv s PRO 73 N -2.74 -1.67 0.00 12.44 0.04 -1.26 -4.02 135.00 137.79 1rjv s PRO 73 Ca 0.16 0.28 0.00 0.00 0.04 0.00 0.00 61.00 61.48 1rjv s PRO 73 Cb -0.00 -1.51 0.00 0.00 0.04 0.00 0.00 34.50 33.03 1rjv s PRO 73 CO 0.02 -4.08 0.00 -0.25 0.04 0.00 0.00 177.00 172.72 1rjv n ASP 74 N -5.09 0.00 0.06 6.66 8.00 -1.26 -4.92 116.55 120.00 1rjv n ASP 74 Ca 0.09 0.00 -0.12 0.00 0.71 0.00 0.00 54.79 55.48 1rjv n ASP 74 Cb 0.58 -0.27 -0.05 0.00 -0.02 0.00 0.00 41.12 41.37 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 -0.42 -1.10 2.24 0.00 -1.86 -3.47 119.26 114.64 1rjv h ALA 75 Ca 0.00 -0.01 0.13 0.00 0.00 0.00 0.00 54.91 55.03 1rjv h ALA 75 Cb 0.00 0.52 -0.04 0.00 0.00 0.00 0.00 17.79 18.27 1rjv h ALA 75 CO 0.00 -0.81 -0.19 0.54 0.00 0.00 0.00 179.25 178.79 1rjv n ARG 76 N -5.40 -1.00 -2.43 0.00 1.74 -1.26 -4.55 116.66 103.75 1rjv n ARG 76 Ca -0.05 0.67 -0.43 0.00 -0.77 0.00 0.00 57.85 57.27 1rjv n ARG 76 Cb 0.31 -1.22 -0.02 0.00 -1.02 0.00 0.00 32.46 30.51 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 -3.96 6.97 0.93 0.55 -4.77 -1.26 -4.61 116.67 110.52 1rjv s ASP 77 Ca 0.00 1.72 -0.11 0.00 -3.30 0.00 0.00 52.55 50.86 1rjv s ASP 77 Cb 0.00 -2.54 0.15 0.00 -1.09 0.00 0.00 42.92 39.44 1rjv s ASP 77 CO 0.00 -0.72 1.10 -0.76 0.70 0.00 0.00 175.17 175.50 1rjv s LEU 78 N 3.17 2.40 0.39 2.11 1.43 -0.47 -4.96 118.68 122.75 1rjv s LEU 78 Ca 0.55 1.87 -0.25 0.00 -1.03 0.00 0.00 54.13 55.27 1rjv s LEU 78 Cb -0.22 -4.22 -0.09 0.00 0.03 0.00 0.00 46.19 41.68 1rjv s LEU 78 CO 0.16 -3.02 1.08 -0.55 0.23 0.00 0.00 176.35 174.25 1rjv s SER 79 N -2.92 6.75 0.58 2.29 0.15 -1.26 -4.94 113.70 114.35 1rjv s SER 79 Ca 0.65 2.14 0.28 0.00 0.70 0.00 0.00 55.95 59.72 1rjv s SER 79 Cb -0.21 -2.60 1.71 0.00 -1.71 0.00 0.00 66.02 63.21 1rjv s SER 79 CO 0.59 -0.50 2.20 0.00 1.20 0.00 0.00 173.24 176.73 1rjv h ALA 80 N 2.68 1.67 -0.22 5.45 0.00 -1.99 -0.32 119.26 126.53 1rjv h ALA 80 Ca -0.48 -0.00 -0.13 0.00 0.00 0.00 0.00 54.91 54.30 1rjv h ALA 80 Cb 1.22 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.01 1rjv h ALA 80 CO 0.63 -0.08 -0.38 0.87 0.00 0.00 0.00 179.25 180.29 1rjv h LYS 81 N 0.00 0.64 0.24 0.00 1.79 -2.00 -3.00 116.57 114.24 1rjv h LYS 81 Ca 0.02 -0.40 -0.01 0.00 -2.18 0.00 0.00 60.65 58.09 1rjv h LYS 81 Cb 0.13 0.04 -0.01 0.00 -1.58 0.00 0.00 32.23 30.81 1rjv h LYS 81 CO -0.00 1.01 -0.16 1.49 -1.08 0.00 0.00 179.45 180.71 1rjv h GLU 82 N 0.33 -0.38 -0.86 3.15 4.22 -1.57 -2.26 114.58 117.21 1rjv h GLU 82 Ca 0.01 0.03 0.07 0.00 0.08 0.00 0.00 59.36 59.55 1rjv h GLU 82 Cb 0.97 0.09 -0.07 0.00 0.50 0.00 0.00 28.75 30.24 1rjv h GLU 82 CO 0.09 -0.25 0.52 1.15 -2.18 0.00 0.00 179.01 178.33 1rjv h THR 83 N -0.40 1.00 0.50 0.32 2.02 -1.15 0.29 112.91 115.48 1rjv h THR 83 Ca -0.02 -0.32 -0.02 0.00 0.77 0.00 0.00 66.41 66.82 1rjv h THR 83 Cb 0.34 -0.00 0.00 0.00 -1.74 0.00 0.00 68.15 66.75 1rjv h THR 83 CO 0.01 0.17 -0.24 0.11 0.37 0.00 0.00 175.52 175.94 1rjv h LYS 84 N 0.92 -0.64 -0.87 6.66 1.57 -1.45 -0.33 116.57 122.42 1rjv h LYS 84 Ca 0.39 0.04 0.01 0.00 -1.87 0.00 0.00 60.65 59.22 1rjv h LYS 84 Cb 0.24 0.15 -0.04 0.00 0.08 0.00 0.00 32.23 32.66 1rjv h LYS 84 CO -0.20 -0.42 0.57 0.52 -0.57 0.00 0.00 179.45 179.35 1rjv h MET 85 N -0.67 1.15 -0.44 3.15 2.86 -0.69 -2.70 114.93 117.58 1rjv h MET 85 Ca -0.07 -0.07 -0.10 0.00 -2.06 0.00 0.00 59.70 57.39 1rjv h MET 85 Cb 0.51 -0.26 -0.01 0.00 0.06 0.00 0.00 31.60 31.90 1rjv h MET 85 CO 0.11 0.77 -0.13 -0.07 1.06 0.00 0.00 176.91 178.65 1rjv h LEU 86 N 1.18 0.88 -0.09 1.22 -0.00 -0.38 0.19 115.31 118.31 1rjv h LEU 86 Ca 0.32 -0.37 0.03 0.00 -0.00 0.00 0.00 57.88 57.85 1rjv h LEU 86 Cb -0.13 -0.24 -0.03 0.00 -0.00 0.00 0.00 40.66 40.26 1rjv h LEU 86 CO -0.07 1.05 -0.08 -0.03 -0.00 0.00 0.00 178.44 179.31 1rjv h MET 87 N 0.70 -0.10 -0.02 1.13 4.05 -0.90 0.28 114.93 120.07 1rjv h MET 87 Ca 0.11 0.01 -0.00 0.00 -0.28 0.00 0.00 59.70 59.53 1rjv h MET 87 Cb 0.68 0.02 -0.00 0.00 -0.80 0.00 0.00 31.60 31.50 1rjv h MET 87 CO 0.05 -0.06 0.00 0.00 0.23 0.00 0.00 176.91 177.13 1rjv h ALA 88 N 0.97 0.03 -0.00 0.39 0.00 -1.34 -2.96 119.26 116.34 1rjv h ALA 88 Ca 0.06 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 1rjv h ALA 88 Cb 0.19 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.98 1rjv h ALA 88 CO -0.15 -0.33 -0.03 0.00 0.00 0.00 0.00 179.25 178.74 1rjv h ALA 89 N 0.74 0.01 -0.27 0.00 0.00 -0.63 -3.37 119.26 115.74 1rjv h ALA 89 Ca 0.01 -0.36 0.04 0.00 0.00 0.00 0.00 54.91 54.60 1rjv h ALA 89 Cb 0.27 -0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.02 1rjv h ALA 89 CO 0.00 -0.13 0.02 0.78 0.00 0.00 0.00 179.25 179.92 1rjv h GLY 90 N -0.66 0.28 -6.69 0.00 0.00 -0.56 -3.00 103.07 92.45 1rjv h GLY 90 Ca -0.00 0.01 -0.59 0.00 0.00 0.00 0.00 47.33 46.75 1rjv h GLY 90 CO 0.01 -0.04 2.08 1.34 0.00 0.00 0.00 176.54 179.93 1rjv n ASP 91 N -5.13 2.70 0.00 0.19 2.03 -1.12 -4.64 116.55 110.59 1rjv n ASP 91 Ca -0.01 -2.69 0.01 0.00 0.52 0.00 0.00 54.79 52.63 1rjv n ASP 91 Cb 0.13 -1.26 0.06 0.00 -0.72 0.00 0.00 41.12 39.33 1rjv n ASP 91 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 1rjv n LYS 92 N 7.26 0.00 -0.02 -0.67 4.76 -1.14 -3.30 118.16 125.05 1rjv n LYS 92 Ca 0.49 0.43 0.01 0.00 -2.87 0.00 0.00 58.31 56.37 1rjv n LYS 92 Cb 0.42 -1.50 -0.07 0.00 -1.84 0.00 0.00 35.03 32.04 1rjv n LYS 92 CO 0.00 0.00 0.00 -3.47 -1.37 0.00 0.00 177.40 172.56 1rjv n ASP 93 N -1.48 2.96 0.00 4.39 2.03 -1.26 -5.06 116.55 118.13 1rjv n ASP 93 Ca 0.01 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.32 1rjv n ASP 93 Cb 0.03 1.11 0.00 0.00 -0.72 0.00 0.00 41.12 41.54 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 2.20 1.13 0.16 0.27 0.00 -1.21 -5.01 105.19 102.74 1rjv n GLY 94 Ca -0.07 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.03 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 -1.97 -3.48 116.42 115.90 1rjv h ASP 95 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1rjv h ASP 95 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 1rjv h ASP 95 CO 0.00 0.25 0.00 0.61 -1.72 0.00 0.00 179.24 178.38 1rjv n GLY 96 N 1.19 2.13 3.51 2.75 0.00 -1.26 -5.07 105.19 108.44 1rjv n GLY 96 Ca 0.01 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.73 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 -0.31 1.97 -0.05 1.61 1.02 -1.26 -4.81 119.74 117.89 1rjv s LYS 97 Ca 0.00 -1.08 -0.30 0.00 0.02 0.00 0.00 55.97 54.62 1rjv s LYS 97 Cb 0.00 -2.19 -0.04 0.00 -0.52 0.00 0.00 37.83 35.08 1rjv s LYS 97 CO 0.00 0.51 1.27 0.42 -0.92 0.00 0.00 175.35 176.63 1rjv s ILE 98 N -1.10 4.10 0.18 2.17 1.01 -0.58 -4.50 121.20 122.48 1rjv s ILE 98 Ca 0.18 1.43 0.08 0.00 0.00 0.00 0.00 60.65 62.34 1rjv s ILE 98 Cb -0.11 -3.92 -0.04 0.00 0.01 0.00 0.00 42.46 38.40 1rjv s ILE 98 CO 0.10 -0.02 -0.02 -0.83 0.00 0.00 0.00 174.94 174.17 1rjv s GLY 99 N 1.68 1.73 0.19 6.18 0.00 -1.26 -1.76 107.32 114.07 1rjv s GLY 99 Ca 0.58 -1.40 -0.14 0.00 0.00 0.00 0.00 44.72 43.76 1rjv s GLY 99 CO 0.22 -1.41 1.67 -0.24 0.00 0.00 0.00 173.10 173.34 1rjv h VAL 100 N 2.52 0.57 -0.47 1.40 3.04 -1.94 0.32 116.25 121.69 1rjv h VAL 100 Ca -0.47 -0.03 -0.10 0.00 -1.01 0.00 0.00 66.70 65.09 1rjv h VAL 100 Cb 1.20 0.49 -0.02 0.00 -2.01 0.00 0.00 31.29 30.96 1rjv h VAL 100 CO 0.57 0.01 -0.12 -0.78 -1.01 0.00 0.00 177.57 176.24 1rjv h ASP 101 N 0.07 0.86 0.18 3.17 3.58 -1.98 -1.21 116.42 121.10 1rjv h ASP 101 Ca 0.25 -0.27 -0.01 0.00 0.42 0.00 0.00 57.03 57.41 1rjv h ASP 101 Cb 0.38 -0.23 0.00 0.00 1.72 0.00 0.00 39.33 41.19 1rjv h ASP 101 CO -0.45 1.00 -0.09 -0.33 -2.88 0.00 0.00 179.24 176.49 1rjv h GLU 102 N 0.78 -0.23 -0.83 0.28 5.08 -1.86 -3.16 114.58 114.63 1rjv h GLU 102 Ca 0.13 0.02 0.12 0.00 -1.00 0.00 0.00 59.36 58.62 1rjv h GLU 102 Cb 0.64 0.05 -0.06 0.00 0.50 0.00 0.00 28.75 29.88 1rjv h GLU 102 CO 0.04 -0.02 0.54 0.35 -1.00 0.00 0.00 179.01 178.92 1rjv h PHE 103 N -0.41 0.76 -0.01 4.33 3.57 -0.43 0.41 116.94 125.16 1rjv h PHE 103 Ca -0.02 0.02 -0.03 0.00 3.53 0.00 0.00 57.97 61.46 1rjv h PHE 103 Cb 0.32 -0.24 -0.01 0.00 2.79 0.00 0.00 35.95 38.81 1rjv h PHE 103 CO -0.01 0.32 -0.15 1.03 -2.23 0.00 0.00 178.31 177.26 1rjv h SER 104 N 0.68 0.01 0.00 0.41 0.87 -1.27 -3.37 113.55 110.88 1rjv h SER 104 Ca 0.40 -0.00 -0.05 0.00 -1.23 0.00 0.00 61.79 60.90 1rjv h SER 104 Cb 0.59 -0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.54 1rjv h SER 104 CO -0.16 0.17 -1.24 0.35 -0.53 0.00 0.00 176.83 175.42 1rjv n THR 105 N -4.35 0.20 -0.21 2.23 -2.24 0.28 -4.42 114.28 105.77 1rjv n THR 105 Ca -0.02 -0.14 0.19 0.00 -2.27 0.00 0.00 64.05 61.80 1rjv n THR 105 Cb 0.22 -0.62 0.35 0.00 -2.10 0.00 0.00 70.33 68.19 1rjv n THR 105 CO 0.00 0.00 0.00 -0.11 -0.57 0.00 0.00 175.07 174.39 1rjv n LEU 106 N -2.03 0.17 0.00 3.22 7.94 0.12 -0.74 117.00 125.68 1rjv n LEU 106 Ca -0.05 1.09 0.10 0.00 -1.11 0.00 0.00 56.01 56.05 1rjv n LEU 106 Cb 0.51 -0.51 -0.08 0.00 0.53 0.00 0.00 43.42 43.87 1rjv n LEU 106 CO 0.08 -1.20 -0.01 1.33 -1.11 0.00 0.00 177.39 176.48 1rjv n VAL 107 N -4.55 0.00 0.03 1.96 0.24 -1.26 -1.83 118.33 112.92 1rjv n VAL 107 Ca 0.23 -0.01 -0.21 0.00 -2.04 0.00 0.00 64.34 62.31 1rjv n VAL 107 Cb 0.78 0.90 -0.14 0.00 -1.47 0.00 0.00 33.84 33.91 1rjv n VAL 107 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1rjv h ALA 108 N 2.98 0.04 0.00 2.33 0.00 -1.31 -3.23 119.26 120.07 1rjv h ALA 108 Ca 0.00 -0.89 0.00 0.00 0.00 0.00 0.00 54.91 54.02 1rjv h ALA 108 Cb 0.51 0.29 0.00 0.00 0.00 0.00 0.00 17.79 18.59 1rjv h ALA 108 CO 0.00 0.60 0.17 0.93 0.00 0.00 0.00 179.25 180.95 1rjv h GLU 109 N -0.34 0.00 0.00 0.00 4.39 -1.02 -3.52 114.58 114.08 1rjv h GLU 109 Ca -0.22 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.48 1rjv h GLU 109 Cb 1.71 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.36 1rjv h GLU 109 CO 0.11 0.00 0.00 -1.13 -1.16 0.00 0.00 179.01 176.83