#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 0.32 6.12 2.88 -1.26 -4.92 113.62 116.76 1rjv n SER 2 Ca 0.00 0.00 0.20 0.00 -1.33 0.00 0.00 58.87 57.74 1rjv n SER 2 Cb 0.00 0.00 1.07 0.00 -0.75 0.00 0.00 64.21 64.53 1rjv n SER 2 CO 0.00 0.00 0.00 -0.03 -1.23 0.00 0.00 175.04 173.78 1rjv h MET 3 N 0.00 0.00 -0.72 -1.46 -1.53 -1.90 -1.40 114.93 107.93 1rjv h MET 3 Ca 0.00 0.00 0.13 0.00 -3.44 0.00 0.00 59.70 56.39 1rjv h MET 3 Cb 0.00 0.00 -0.13 0.00 -0.55 0.00 0.00 31.60 30.92 1rjv h MET 3 CO 0.00 0.01 -0.22 2.41 0.14 0.00 0.00 176.91 179.25 1rjv n THR 4 N -3.28 -0.33 -0.02 -0.77 -1.04 -1.26 -0.70 114.28 106.88 1rjv n THR 4 Ca -0.03 1.65 0.03 0.00 -2.04 0.00 0.00 64.05 63.67 1rjv n THR 4 Cb 0.11 -2.25 -0.14 0.00 -1.82 0.00 0.00 70.33 66.23 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 -5.13 0.19 0.34 8.00 2.03 -0.54 -1.21 116.55 120.25 1rjv n ASP 5 Ca 0.10 0.08 -0.16 0.00 0.52 0.00 0.00 54.79 55.33 1rjv n ASP 5 Cb 0.33 1.32 -0.08 0.00 -0.72 0.00 0.00 41.12 41.97 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 -0.75 -2.99 -2.67 3.38 -1.35 -3.38 115.31 107.55 1rjv h LEU 6 Ca -0.18 -0.01 -0.00 0.00 0.09 0.00 0.00 57.88 57.78 1rjv h LEU 6 Cb 1.44 0.19 -0.00 0.00 0.09 0.00 0.00 40.66 42.39 1rjv h LEU 6 CO 0.02 -0.42 -0.06 0.18 0.09 0.00 0.00 178.44 178.25 1rjv n LEU 7 N -5.40 2.36 -2.51 1.67 4.77 0.12 -5.01 117.00 113.00 1rjv n LEU 7 Ca -0.12 -3.15 -0.04 0.00 -0.03 0.00 0.00 56.01 52.66 1rjv n LEU 7 Cb 0.37 -0.44 -0.03 0.00 -2.33 0.00 0.00 43.42 40.99 1rjv n LEU 7 CO 0.33 0.78 -0.57 -3.20 -1.33 0.00 0.00 177.39 173.40 1rjv n ASN 8 N -1.39 -2.27 -0.60 -1.43 2.85 -1.09 -4.36 115.26 106.97 1rjv n ASN 8 Ca 0.16 1.24 0.48 0.00 -0.11 0.00 0.00 54.58 56.35 1rjv n ASN 8 Cb 0.65 -4.88 0.79 0.00 1.24 0.00 0.00 39.78 37.58 1rjv n ASN 8 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1rjv h ALA 9 N 3.44 3.57 -0.70 5.20 0.00 -1.40 0.21 119.26 129.60 1rjv h ALA 9 Ca -0.39 -0.04 -0.08 0.00 0.00 0.00 0.00 54.91 54.41 1rjv h ALA 9 Cb 0.87 0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.78 1rjv h ALA 9 CO 0.03 -2.11 0.14 1.49 0.00 0.00 0.00 179.25 178.80 1rjv h GLU 10 N 0.01 1.14 -0.37 0.00 4.81 -1.89 -1.63 114.58 116.66 1rjv h GLU 10 Ca 0.85 -0.29 -0.13 0.00 -0.13 0.00 0.00 59.36 59.67 1rjv h GLU 10 Cb 3.33 -0.14 -0.01 0.00 0.63 0.00 0.00 28.75 32.56 1rjv h GLU 10 CO -0.07 1.02 -0.28 -0.44 -0.73 0.00 0.00 179.01 178.51 1rjv h ASP 11 N 1.07 0.79 -0.86 1.04 3.32 -0.80 -2.86 116.42 118.12 1rjv h ASP 11 Ca 0.22 -0.31 0.08 0.00 0.02 0.00 0.00 57.03 57.03 1rjv h ASP 11 Cb 0.42 -0.22 -0.07 0.00 0.22 0.00 0.00 39.33 39.68 1rjv h ASP 11 CO 0.01 1.02 0.52 0.40 -1.72 0.00 0.00 179.24 179.48 1rjv h ILE 12 N 0.66 0.99 -0.44 0.35 5.03 -1.28 0.18 117.51 123.00 1rjv h ILE 12 Ca 0.08 -0.31 0.07 0.00 -0.12 0.00 0.00 64.86 64.58 1rjv h ILE 12 Cb 0.80 -0.01 -0.06 0.00 -3.03 0.00 0.00 36.82 34.52 1rjv h ILE 12 CO 0.07 0.17 0.08 0.50 -0.68 0.00 0.00 178.15 178.29 1rjv h LYS 13 N 0.91 0.21 -0.32 2.37 1.63 -1.08 0.16 116.57 120.45 1rjv h LYS 13 Ca 0.39 -0.01 -0.11 0.00 -0.85 0.00 0.00 60.65 60.08 1rjv h LYS 13 Cb 0.26 -0.05 -0.01 0.00 -0.60 0.00 0.00 32.23 31.83 1rjv h LYS 13 CO -0.21 0.14 -0.24 0.87 -3.45 0.00 0.00 179.45 176.56 1rjv h LYS 14 N 0.21 0.62 0.85 1.90 1.57 -1.21 -2.38 116.57 118.14 1rjv h LYS 14 Ca 0.22 -0.25 -0.04 0.00 -1.87 0.00 0.00 60.65 58.71 1rjv h LYS 14 Cb 0.28 -0.03 0.01 0.00 0.08 0.00 0.00 32.23 32.56 1rjv h LYS 14 CO -0.29 0.81 -0.41 0.00 -0.57 0.00 0.00 179.45 178.99 1rjv h ALA 15 N 1.19 -1.31 -0.15 3.86 0.00 -0.12 -2.31 119.26 120.43 1rjv h ALA 15 Ca 0.08 -0.25 0.03 0.00 0.00 0.00 0.00 54.91 54.77 1rjv h ALA 15 Cb 0.71 0.45 -0.01 0.00 0.00 0.00 0.00 17.79 18.94 1rjv h ALA 15 CO 0.05 -1.23 0.10 0.28 0.00 0.00 0.00 179.25 178.46 1rjv h VAL 16 N -1.15 0.95 0.00 0.00 2.07 -1.05 0.16 116.25 117.23 1rjv h VAL 16 Ca -0.12 -0.01 0.00 0.00 0.82 0.00 0.00 66.70 67.39 1rjv h VAL 16 Cb 0.88 0.90 0.00 0.00 -1.52 0.00 0.00 31.29 31.55 1rjv h VAL 16 CO 0.19 0.01 0.00 0.61 0.02 0.00 0.00 177.57 178.40 1rjv n GLY 17 N -1.56 -1.17 0.05 2.17 0.00 -0.90 -2.80 105.19 101.00 1rjv n GLY 17 Ca 0.00 -0.09 -0.02 0.00 0.00 0.00 0.00 46.02 45.92 1rjv n GLY 17 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1rjv h ALA 18 N 2.88 0.00 0.00 4.61 0.00 -0.38 -3.37 119.26 123.00 1rjv h ALA 18 Ca 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.68 1rjv h ALA 18 Cb 0.31 0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.32 1rjv h ALA 18 CO 0.00 0.22 0.00 1.19 0.00 0.00 0.00 179.25 180.66 1rjv n PHE 19 N -4.44 0.00 -0.98 0.00 3.72 -1.23 -4.53 117.46 109.99 1rjv n PHE 19 Ca -0.03 0.00 -0.43 0.00 -0.05 0.00 0.00 57.45 56.94 1rjv n PHE 19 Cb 0.12 -0.42 -0.07 0.00 -0.94 0.00 0.00 39.48 38.16 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 -1.42 2.17 -0.21 4.37 7.64 -1.12 -4.66 113.62 120.38 1rjv n SER 20 Ca 0.05 -2.62 0.00 0.00 1.01 0.00 0.00 58.87 57.31 1rjv n SER 20 Cb 0.17 -0.96 0.00 0.00 -1.01 0.00 0.00 64.21 62.41 1rjv n SER 20 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1rjv n ALA 21 N 7.77 0.00 -3.68 -0.43 0.00 -1.26 -5.02 120.51 117.88 1rjv n ALA 21 Ca 0.49 0.00 -0.26 0.00 0.00 0.00 0.00 53.44 53.67 1rjv n ALA 21 Cb 0.40 0.00 -0.17 0.00 0.00 0.00 0.00 19.45 19.68 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 -2.94 0.20 0.00 0.00 -4.23 -1.26 -4.68 115.64 102.74 1rjv s THR 22 Ca 0.00 -0.25 0.00 0.00 -1.18 0.00 0.00 61.69 60.26 1rjv s THR 22 Cb 0.00 -0.73 0.00 0.00 1.34 0.00 0.00 72.50 73.11 1rjv s THR 22 CO 0.00 -0.17 0.00 0.47 -0.54 0.00 0.00 174.62 174.38 1rjv n ASP 23 N 5.17 0.00 -1.73 3.99 8.00 -1.26 -4.93 116.55 125.80 1rjv n ASP 23 Ca -0.07 0.00 -0.14 0.00 0.71 0.00 0.00 54.79 55.29 1rjv n ASP 23 Cb 0.48 -0.55 0.07 0.00 -0.02 0.00 0.00 41.12 41.10 1rjv n ASP 23 CO 0.00 0.00 0.00 -0.24 -0.39 0.00 0.00 177.20 176.57 1rjv n SER 24 N 0.00 4.71 -4.72 -2.24 2.88 -1.26 -4.64 113.62 108.34 1rjv n SER 24 Ca 0.00 -2.91 -0.42 0.00 -1.33 0.00 0.00 58.87 54.21 1rjv n SER 24 Cb 0.00 -0.83 -0.03 0.00 -0.75 0.00 0.00 64.21 62.60 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 -1.70 3.14 -0.40 0.66 5.36 -1.26 -4.84 117.98 118.93 1rjv s PHE 25 Ca 0.29 0.77 0.10 0.00 -0.96 0.00 0.00 56.93 57.13 1rjv s PHE 25 Cb 0.24 -3.82 0.31 0.00 -0.34 0.00 0.00 43.02 39.41 1rjv s PHE 25 CO 0.03 -2.96 0.67 -0.40 -1.46 0.00 0.00 175.22 171.10 1rjv n ASP 26 N 3.93 0.96 -0.38 6.13 5.68 -1.26 -4.98 116.55 126.64 1rjv n ASP 26 Ca 0.13 -2.96 0.30 0.00 -0.50 0.00 0.00 54.79 51.76 1rjv n ASP 26 Cb 0.40 -0.63 0.59 0.00 -1.14 0.00 0.00 41.12 40.35 1rjv n ASP 26 CO 0.00 0.00 0.00 1.12 -1.33 0.00 0.00 177.20 176.99 1rjv h HIS 27 N 3.40 0.53 -0.03 2.11 2.07 -1.94 0.18 115.15 121.48 1rjv h HIS 27 Ca 0.10 0.02 0.01 0.00 -2.85 0.00 0.00 60.37 57.64 1rjv h HIS 27 Cb 0.89 -0.14 -0.02 0.00 2.57 0.00 0.00 27.41 30.71 1rjv h HIS 27 CO 0.46 -0.05 -0.17 0.87 -3.07 0.00 0.00 177.93 175.97 1rjv h LYS 28 N 0.23 -0.19 -0.48 5.12 6.56 -1.85 -0.64 116.57 125.33 1rjv h LYS 28 Ca 0.68 0.01 -0.03 0.00 -1.06 0.00 0.00 60.65 60.26 1rjv h LYS 28 Cb 2.03 0.04 -0.02 0.00 -0.57 0.00 0.00 32.23 33.71 1rjv h LYS 28 CO -0.31 -0.13 0.18 0.87 -2.06 0.00 0.00 179.45 178.01 1rjv h LYS 29 N -0.20 0.73 -0.17 3.15 1.57 -1.09 -1.51 116.57 119.04 1rjv h LYS 29 Ca 0.01 -0.14 0.05 0.00 -1.87 0.00 0.00 60.65 58.70 1rjv h LYS 29 Cb 0.22 -0.11 -0.07 0.00 0.08 0.00 0.00 32.23 32.35 1rjv h LYS 29 CO -0.13 0.66 -0.32 0.35 -0.57 0.00 0.00 179.45 179.44 1rjv h PHE 30 N 0.64 -0.87 -0.41 -1.35 3.57 -0.97 0.44 116.94 117.99 1rjv h PHE 30 Ca 0.16 0.04 -0.09 0.00 3.53 0.00 0.00 57.97 61.61 1rjv h PHE 30 Cb 0.21 0.41 -0.02 0.00 2.79 0.00 0.00 35.95 39.34 1rjv h PHE 30 CO 0.01 -0.39 -0.12 0.74 -2.23 0.00 0.00 178.31 176.32 1rjv h PHE 31 N -0.37 0.81 -0.37 0.41 -1.00 -1.04 -0.19 116.94 115.19 1rjv h PHE 31 Ca 0.11 -0.15 -0.14 0.00 2.81 0.00 0.00 57.97 60.60 1rjv h PHE 31 Cb 0.54 -0.21 -0.01 0.00 3.61 0.00 0.00 35.95 39.88 1rjv h PHE 31 CO -0.42 0.82 -0.33 1.96 -1.61 0.00 0.00 178.31 178.73 1rjv h GLN 32 N 0.67 0.84 -0.11 1.51 7.50 -0.77 0.28 115.11 125.02 1rjv h GLN 32 Ca 0.11 -0.40 -0.23 0.00 0.50 0.00 0.00 58.65 58.63 1rjv h GLN 32 Cb 0.58 -0.01 0.01 0.00 0.05 0.00 0.00 27.48 28.12 1rjv h GLN 32 CO 0.04 1.04 -0.83 0.52 -1.50 0.00 0.00 178.83 178.10 1rjv h MET 33 N 0.70 0.72 0.00 1.46 2.86 0.01 -2.58 114.93 118.10 1rjv h MET 33 Ca 0.07 -0.62 0.00 0.00 -2.06 0.00 0.00 59.70 57.09 1rjv h MET 33 Cb 0.88 0.14 0.00 0.00 0.06 0.00 0.00 31.60 32.68 1rjv h MET 33 CO 0.08 1.23 0.00 1.55 1.06 0.00 0.00 176.91 180.83 1rjv n VAL 34 N -3.90 0.23 -2.64 -2.22 3.14 -0.09 -4.50 118.33 108.35 1rjv n VAL 34 Ca -0.08 0.06 -0.21 0.00 -2.96 0.00 0.00 64.34 61.15 1rjv n VAL 34 Cb 0.77 -0.64 0.01 0.00 -1.06 0.00 0.00 33.84 32.92 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 0.94 -0.48 0.47 7.55 0.00 -0.66 -4.69 105.19 108.33 1rjv n GLY 35 Ca 0.10 0.03 -0.19 0.00 0.00 0.00 0.00 46.02 45.95 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 -0.57 -1.13 -1.70 0.99 6.46 -0.76 -0.91 115.31 117.69 1rjv h LEU 36 Ca -0.50 0.06 0.07 0.00 -0.12 0.00 0.00 57.88 57.39 1rjv h LEU 36 Cb 1.36 0.33 -0.01 0.00 -0.73 0.00 0.00 40.66 41.61 1rjv h LEU 36 CO 0.56 -0.68 0.52 0.11 -0.62 0.00 0.00 178.44 178.33 1rjv h LYS 37 N -1.09 0.00 0.00 1.25 1.57 -1.90 0.92 116.57 117.32 1rjv h LYS 37 Ca -0.09 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.67 1rjv h LYS 37 Cb 0.88 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.19 1rjv h LYS 37 CO 0.09 0.00 -0.11 1.57 -0.57 0.00 0.00 179.45 180.43 1rjv h LYS 38 N 0.00 0.00 -6.78 3.15 2.10 -1.48 -3.46 116.57 110.10 1rjv h LYS 38 Ca 0.11 0.00 -0.47 0.00 -2.00 0.00 0.00 60.65 58.29 1rjv h LYS 38 Cb 1.14 0.00 0.03 0.00 -0.90 0.00 0.00 32.23 32.50 1rjv h LYS 38 CO -0.00 0.11 -0.03 0.21 -2.00 0.00 0.00 179.45 177.74 1rjv s LYS 39 N -3.34 3.14 0.71 0.07 2.47 0.32 -5.10 119.74 118.01 1rjv s LYS 39 Ca 0.04 -0.30 -0.11 0.00 -1.56 0.00 0.00 55.97 54.04 1rjv s LYS 39 Cb 0.07 -2.50 0.02 0.00 -1.46 0.00 0.00 37.83 33.96 1rjv s LYS 39 CO 0.65 -0.29 1.07 -1.12 0.16 0.00 0.00 175.35 175.82 1rjv s SER 40 N -4.20 5.14 0.30 1.43 0.01 -1.26 -4.87 113.70 110.25 1rjv s SER 40 Ca 0.48 1.73 0.03 0.00 1.31 0.00 0.00 55.95 59.50 1rjv s SER 40 Cb -0.10 -2.51 0.63 0.00 0.21 0.00 0.00 66.02 64.25 1rjv s SER 40 CO 0.40 -1.61 1.84 0.00 0.41 0.00 0.00 173.24 174.29 1rjv h ALA 41 N -0.67 1.60 0.00 1.44 0.00 -1.98 -0.63 119.26 119.02 1rjv h ALA 41 Ca -0.44 0.02 -0.05 0.00 0.00 0.00 0.00 54.91 54.44 1rjv h ALA 41 Cb 1.22 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.82 1rjv h ALA 41 CO 0.55 0.15 -0.24 -0.44 0.00 0.00 0.00 179.25 179.27 1rjv h ASP 42 N 0.91 0.00 0.00 0.00 3.32 -2.00 -0.65 116.42 118.00 1rjv h ASP 42 Ca 0.49 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.54 1rjv h ASP 42 Cb 0.55 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.10 1rjv h ASP 42 CO -0.25 0.24 -0.00 -0.78 -1.72 0.00 0.00 179.24 176.73 1rjv h ASP 43 N 0.00 -0.00 -0.97 6.45 1.82 -1.52 -3.23 116.42 118.96 1rjv h ASP 43 Ca -0.00 -0.63 0.29 0.00 -0.39 0.00 0.00 57.03 56.30 1rjv h ASP 43 Cb 0.44 0.00 -0.15 0.00 0.68 0.00 0.00 39.33 40.31 1rjv h ASP 43 CO 0.03 0.63 0.49 0.58 -1.61 0.00 0.00 179.24 179.36 1rjv h VAL 44 N -0.63 0.32 -0.66 2.25 2.07 -0.91 0.35 116.25 119.04 1rjv h VAL 44 Ca -0.00 -0.11 0.10 0.00 0.82 0.00 0.00 66.70 67.51 1rjv h VAL 44 Cb 0.63 -0.02 -0.08 0.00 -1.52 0.00 0.00 31.29 30.30 1rjv h VAL 44 CO 0.00 0.06 0.27 0.11 0.02 0.00 0.00 177.57 178.03 1rjv h LYS 45 N 0.32 0.45 0.00 1.57 1.57 -1.15 -1.49 116.57 117.85 1rjv h LYS 45 Ca 0.68 -0.03 -0.18 0.00 -1.87 0.00 0.00 60.65 59.26 1rjv h LYS 45 Cb 1.50 -0.10 -0.03 0.00 0.08 0.00 0.00 32.23 33.68 1rjv h LYS 45 CO -0.61 0.30 -0.88 0.87 -0.57 0.00 0.00 179.45 178.56 1rjv h LYS 46 N 0.46 0.00 0.71 3.15 1.57 -0.47 -3.14 116.57 118.86 1rjv h LYS 46 Ca 0.33 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 59.08 1rjv h LYS 46 Cb 0.41 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.72 1rjv h LYS 46 CO -0.31 0.77 -0.45 0.28 -0.57 0.00 0.00 179.45 179.17 1rjv h VAL 47 N 0.00 0.00 -0.74 0.50 2.07 -0.40 -1.50 116.25 116.17 1rjv h VAL 47 Ca -0.03 0.00 0.17 0.00 0.82 0.00 0.00 66.70 67.66 1rjv h VAL 47 Cb 1.64 0.00 -0.13 0.00 -1.52 0.00 0.00 31.29 31.28 1rjv h VAL 47 CO 0.10 0.00 -0.02 0.15 0.02 0.00 0.00 177.57 177.82 1rjv h PHE 48 N -1.09 -0.10 -0.56 1.57 3.04 -1.39 0.14 116.94 118.54 1rjv h PHE 48 Ca -0.10 0.06 0.09 0.00 3.98 0.00 0.00 57.97 62.01 1rjv h PHE 48 Cb 0.88 0.16 -0.03 0.00 2.56 0.00 0.00 35.95 39.52 1rjv h PHE 48 CO -0.10 -0.25 0.38 0.45 -2.02 0.00 0.00 178.31 176.77 1rjv h HIS 49 N 0.09 0.38 -0.29 0.41 3.86 -1.46 -0.19 115.15 117.95 1rjv h HIS 49 Ca 0.40 0.01 -0.14 0.00 -1.16 0.00 0.00 60.37 59.48 1rjv h HIS 49 Cb 0.69 -0.12 -0.01 0.00 1.06 0.00 0.00 27.41 29.02 1rjv h HIS 49 CO -0.44 0.18 -0.39 1.98 0.86 0.00 0.00 177.93 180.12 1rjv h MET 50 N 0.36 0.69 -0.05 2.45 4.05 0.35 -3.17 114.93 119.61 1rjv h MET 50 Ca 0.26 -0.35 -0.01 0.00 -0.28 0.00 0.00 59.70 59.31 1rjv h MET 50 Cb 0.54 0.01 -0.00 0.00 -0.80 0.00 0.00 31.60 31.34 1rjv h MET 50 CO -0.06 0.97 -0.01 -0.07 0.23 0.00 0.00 176.91 177.96 1rjv h LEU 51 N 0.57 0.10 -8.28 3.39 4.07 -1.17 -3.34 115.31 110.65 1rjv h LEU 51 Ca 0.05 -0.38 -0.40 0.00 0.08 0.00 0.00 57.88 57.23 1rjv h LEU 51 Cb 0.93 -0.03 -0.05 0.00 1.08 0.00 0.00 40.66 42.58 1rjv h LEU 51 CO 0.08 0.46 1.01 -0.62 -1.08 0.00 0.00 178.44 178.29 1rjv s ASP 52 N -5.69 5.42 0.00 -0.43 -1.08 -0.14 -4.76 116.67 109.99 1rjv s ASP 52 Ca -0.15 -0.51 0.06 0.00 -0.52 0.00 0.00 52.55 51.42 1rjv s ASP 52 Cb 0.04 -2.55 0.34 0.00 -1.46 0.00 0.00 42.92 39.28 1rjv s ASP 52 CO 0.69 -2.43 0.74 0.29 0.52 0.00 0.00 175.17 174.98 1rjv n LYS 53 N 8.97 0.24 0.00 4.34 4.76 -1.26 -3.06 118.16 132.15 1rjv n LYS 53 Ca 0.32 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.76 1rjv n LYS 53 Cb 0.49 -1.38 0.00 0.00 -1.84 0.00 0.00 35.03 32.30 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 -0.88 4.52 0.00 4.39 5.68 -1.26 -5.07 116.55 123.93 1rjv n ASP 54 Ca 0.04 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.33 1rjv n ASP 54 Cb 0.02 0.29 0.00 0.00 -1.14 0.00 0.00 41.12 40.29 1rjv n ASP 54 CO 0.00 0.00 0.00 0.29 -1.33 0.00 0.00 177.20 176.16 1rjv n LYS 55 N -2.18 0.00 0.31 0.11 4.76 -1.17 -5.05 118.16 114.93 1rjv n LYS 55 Ca 0.00 0.00 0.18 0.00 -2.87 0.00 0.00 58.31 55.62 1rjv n LYS 55 Cb 0.49 0.00 0.91 0.00 -1.84 0.00 0.00 35.03 34.60 1rjv n LYS 55 CO 0.00 0.00 0.00 0.66 -1.37 0.00 0.00 177.40 176.69 1rjv h SER 56 N 0.00 0.00 0.00 4.39 4.64 -1.98 -3.45 113.55 117.15 1rjv h SER 56 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1rjv h SER 56 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 1rjv h SER 56 CO 0.00 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.57 1rjv n GLY 57 N -1.23 0.61 2.64 -0.77 0.00 -1.26 -5.06 105.19 100.13 1rjv n GLY 57 Ca -0.01 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.77 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 -2.41 0.12 -0.06 1.61 0.08 -1.26 -4.60 117.98 111.45 1rjv s PHE 58 Ca 0.00 -0.08 -0.21 0.00 0.12 0.00 0.00 56.93 56.76 1rjv s PHE 58 Cb 0.00 -0.60 -0.04 0.00 -0.57 0.00 0.00 43.02 41.81 1rjv s PHE 58 CO 0.00 -0.41 0.61 0.42 -0.10 0.00 0.00 175.22 175.75 1rjv s ILE 59 N 2.16 5.04 0.27 0.64 1.01 -0.63 -4.91 121.20 124.78 1rjv s ILE 59 Ca 0.03 1.26 0.02 0.00 0.00 0.00 0.00 60.65 61.96 1rjv s ILE 59 Cb -0.15 -3.95 -0.05 0.00 0.01 0.00 0.00 42.46 38.32 1rjv s ILE 59 CO -0.07 0.32 0.09 -1.61 0.00 0.00 0.00 174.94 173.67 1rjv s GLU 60 N 0.48 1.45 0.39 2.79 2.02 -1.26 -1.64 118.70 122.93 1rjv s GLU 60 Ca 0.33 -1.79 0.17 0.00 0.02 0.00 0.00 54.97 53.70 1rjv s GLU 60 Cb -0.17 -0.35 1.07 0.00 0.10 0.00 0.00 34.13 34.78 1rjv s GLU 60 CO 0.16 -0.28 1.79 1.05 0.02 0.00 0.00 175.26 177.99 1rjv h GLU 61 N 2.34 0.42 -1.01 1.61 4.11 -1.96 0.46 114.58 120.55 1rjv h GLU 61 Ca -0.38 -0.03 0.24 0.00 0.07 0.00 0.00 59.36 59.26 1rjv h GLU 61 Cb 1.25 -0.09 -0.10 0.00 0.50 0.00 0.00 28.75 30.31 1rjv h GLU 61 CO 0.62 0.28 0.64 -0.44 0.07 0.00 0.00 179.01 180.17 1rjv h ASP 62 N 0.43 0.54 0.00 3.06 5.19 -2.01 -2.20 116.42 121.43 1rjv h ASP 62 Ca 0.57 0.09 -0.38 0.00 -0.62 0.00 0.00 57.03 56.69 1rjv h ASP 62 Cb 1.39 -0.00 -0.07 0.00 0.18 0.00 0.00 39.33 40.83 1rjv h ASP 62 CO -0.28 0.13 -2.42 -0.62 -3.12 0.00 0.00 179.24 172.93 1rjv n GLU 63 N -4.68 0.66 -0.22 3.56 1.02 -0.28 -4.62 120.64 116.08 1rjv n GLU 63 Ca 0.24 0.12 0.23 0.00 -0.02 0.00 0.00 57.16 57.73 1rjv n GLU 63 Cb 0.78 -1.51 0.59 0.00 -0.02 0.00 0.00 31.44 31.29 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 0.00 0.25 -0.40 -4.62 5.85 -0.53 0.27 115.31 116.14 1rjv h LEU 64 Ca -0.56 0.03 0.08 0.00 0.84 0.00 0.00 57.88 58.27 1rjv h LEU 64 Cb 1.94 -0.02 -0.08 0.00 0.37 0.00 0.00 40.66 42.87 1rjv h LEU 64 CO -0.07 0.09 -0.16 1.23 -0.34 0.00 0.00 178.44 179.19 1rjv h GLY 65 N 0.25 0.16 -2.72 3.75 0.00 -1.67 -3.36 103.07 99.48 1rjv h GLY 65 Ca 0.46 0.21 -0.15 0.00 0.00 0.00 0.00 47.33 47.85 1rjv h GLY 65 CO -0.12 -0.18 -0.91 1.97 0.00 0.00 0.00 176.54 177.29 1rjv n PHE 66 N -5.35 0.16 -0.32 5.60 1.16 0.26 0.10 117.46 119.07 1rjv n PHE 66 Ca 0.02 -0.90 0.29 0.00 -1.87 0.00 0.00 57.45 54.99 1rjv n PHE 66 Cb 0.26 -0.18 0.53 0.00 -1.61 0.00 0.00 39.48 38.48 1rjv n PHE 66 CO 0.00 0.00 0.00 1.51 -1.87 0.00 0.00 176.76 176.40 1rjv n ILE 67 N 0.00 -0.41 0.28 1.97 0.00 0.69 -0.48 119.36 121.42 1rjv n ILE 67 Ca 0.10 2.00 0.18 0.00 0.00 0.00 0.00 62.75 65.04 1rjv n ILE 67 Cb 1.01 -3.20 0.96 0.00 0.00 0.00 0.00 39.64 38.41 1rjv n ILE 67 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 176.55 176.48 1rjv h LEU 68 N 0.00 0.00 0.00 9.51 3.38 -1.87 -1.23 115.31 125.11 1rjv h LEU 68 Ca 0.79 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.76 1rjv h LEU 68 Cb 2.04 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.79 1rjv h LEU 68 CO -0.78 0.00 0.00 0.29 0.09 0.00 0.00 178.44 178.04 1rjv n LYS 69 N -3.40 0.00 -0.01 1.13 5.02 0.37 -0.95 118.16 120.33 1rjv n LYS 69 Ca -0.01 0.37 -0.07 0.00 -2.02 0.00 0.00 58.31 56.58 1rjv n LYS 69 Cb 0.23 -1.50 -0.06 0.00 -0.02 0.00 0.00 35.03 33.68 1rjv n LYS 69 CO 0.00 0.00 0.00 0.78 -0.52 0.00 0.00 177.40 177.66 1rjv h GLY 70 N 1.22 -0.10 0.27 0.72 0.00 -1.34 -3.40 103.07 100.45 1rjv h GLY 70 Ca 0.00 0.04 0.08 0.00 0.00 0.00 0.00 47.33 47.45 1rjv h GLY 70 CO 0.00 -0.03 -0.01 0.74 0.00 0.00 0.00 176.54 177.23 1rjv h PHE 71 N -0.97 -0.05 -1.69 5.60 -1.00 -1.20 -3.45 116.94 114.17 1rjv h PHE 71 Ca -0.01 0.03 0.36 0.00 2.81 0.00 0.00 57.97 61.16 1rjv h PHE 71 Cb 0.46 0.09 -0.10 0.00 3.61 0.00 0.00 35.95 40.01 1rjv h PHE 71 CO 0.10 -0.10 0.91 0.45 -1.61 0.00 0.00 178.31 178.06 1rjv s SER 72 N -5.25 -0.01 1.02 2.17 0.15 -0.12 -4.83 113.70 106.82 1rjv s SER 72 Ca -0.13 -0.12 -0.13 0.00 0.70 0.00 0.00 55.95 56.26 1rjv s SER 72 Cb 0.15 0.11 0.20 0.00 -1.71 0.00 0.00 66.02 64.76 1rjv s SER 72 CO 0.72 -0.20 1.11 -2.16 1.20 0.00 0.00 173.24 173.90 1rjv s PRO 73 N -2.13 0.29 -1.97 5.44 0.04 -1.26 -3.80 135.00 131.61 1rjv s PRO 73 Ca 0.23 0.38 0.00 0.00 0.04 0.00 0.00 61.00 61.64 1rjv s PRO 73 Cb 0.03 -1.73 0.00 0.00 0.04 0.00 0.00 34.50 32.84 1rjv s PRO 73 CO -0.03 -2.79 0.00 -3.47 0.04 0.00 0.00 177.00 170.74 1rjv n ASP 74 N -4.20 -5.03 -0.23 6.66 2.03 -1.26 -4.93 116.55 109.60 1rjv n ASP 74 Ca 0.06 0.43 -0.01 0.00 0.52 0.00 0.00 54.79 55.79 1rjv n ASP 74 Cb 0.58 -4.46 0.05 0.00 -0.72 0.00 0.00 41.12 36.58 1rjv n ASP 74 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1rjv h ALA 75 N 0.27 0.29 -1.82 -1.67 0.00 -1.83 -3.50 119.26 111.01 1rjv h ALA 75 Ca -0.39 0.24 0.09 0.00 0.00 0.00 0.00 54.91 54.85 1rjv h ALA 75 Cb 1.24 0.61 -0.02 0.00 0.00 0.00 0.00 17.79 19.62 1rjv h ALA 75 CO 0.56 -0.50 -0.12 0.54 0.00 0.00 0.00 179.25 179.73 1rjv n ARG 76 N -5.46 -0.69 -3.79 0.00 1.74 -1.26 -4.80 116.66 102.40 1rjv n ARG 76 Ca 0.07 0.45 -0.37 0.00 -0.77 0.00 0.00 57.85 57.24 1rjv n ARG 76 Cb 0.36 -0.84 -0.13 0.00 -1.02 0.00 0.00 32.46 30.83 1rjv n ARG 76 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 1rjv s ASP 77 N -4.61 4.96 0.83 0.55 2.15 -1.26 -4.40 116.67 114.89 1rjv s ASP 77 Ca 0.00 -0.64 -0.12 0.00 0.43 0.00 0.00 52.55 52.22 1rjv s ASP 77 Cb 0.00 -1.85 0.09 0.00 -0.30 0.00 0.00 42.92 40.86 1rjv s ASP 77 CO 0.00 -0.15 1.18 -0.76 -0.17 0.00 0.00 175.17 175.27 1rjv s LEU 78 N 1.49 3.07 0.56 -1.34 1.43 0.11 -5.00 118.68 119.00 1rjv s LEU 78 Ca 0.03 2.26 -0.20 0.00 -1.03 0.00 0.00 54.13 55.19 1rjv s LEU 78 Cb -0.17 -4.58 -0.04 0.00 0.03 0.00 0.00 46.19 41.43 1rjv s LEU 78 CO 0.01 -2.69 1.25 -0.55 0.23 0.00 0.00 176.35 174.61 1rjv s SER 79 N -2.41 5.35 0.27 2.29 0.15 -1.26 -4.84 113.70 113.25 1rjv s SER 79 Ca 0.70 2.51 0.00 0.00 0.70 0.00 0.00 55.95 59.86 1rjv s SER 79 Cb -0.26 -2.61 0.54 0.00 -1.71 0.00 0.00 66.02 61.98 1rjv s SER 79 CO 0.52 -1.49 1.80 0.00 1.20 0.00 0.00 173.24 175.28 1rjv h ALA 80 N 1.26 1.40 -0.57 5.45 0.00 -1.98 0.67 119.26 125.50 1rjv h ALA 80 Ca -0.50 0.05 -0.10 0.00 0.00 0.00 0.00 54.91 54.35 1rjv h ALA 80 Cb 1.29 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.94 1rjv h ALA 80 CO 0.57 0.08 -0.04 0.87 0.00 0.00 0.00 179.25 180.72 1rjv h LYS 81 N 0.82 1.02 0.55 0.00 1.57 -1.98 -0.37 116.57 118.19 1rjv h LYS 81 Ca 0.48 -0.34 -0.02 0.00 -1.87 0.00 0.00 60.65 58.90 1rjv h LYS 81 Cb 0.56 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.78 1rjv h LYS 81 CO -0.30 1.02 -0.38 1.49 -0.57 0.00 0.00 179.45 180.71 1rjv h GLU 82 N 0.92 -0.85 -0.84 3.15 4.81 -1.62 -2.18 114.58 117.96 1rjv h GLU 82 Ca 0.16 0.06 0.17 0.00 -0.13 0.00 0.00 59.36 59.61 1rjv h GLU 82 Cb 0.59 0.19 -0.16 0.00 0.63 0.00 0.00 28.75 30.01 1rjv h GLU 82 CO 0.04 -0.57 -0.21 1.15 -0.73 0.00 0.00 179.01 178.68 1rjv h THR 83 N -0.89 0.16 -0.20 0.32 2.02 -0.73 0.40 112.91 113.99 1rjv h THR 83 Ca -0.07 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.11 1rjv h THR 83 Cb 0.72 0.16 -0.01 0.00 -1.74 0.00 0.00 68.15 67.28 1rjv h THR 83 CO 0.04 0.00 0.12 0.11 0.37 0.00 0.00 175.52 176.17 1rjv h LYS 84 N -0.00 0.26 -0.54 6.66 1.57 -1.02 -0.76 116.57 122.74 1rjv h LYS 84 Ca 0.40 -0.02 -0.05 0.00 -1.87 0.00 0.00 60.65 59.11 1rjv h LYS 84 Cb 0.62 -0.06 -0.02 0.00 0.08 0.00 0.00 32.23 32.84 1rjv h LYS 84 CO -0.87 0.20 0.13 1.98 -0.57 0.00 0.00 179.45 180.32 1rjv h MET 85 N 0.25 0.83 0.37 3.15 4.05 -0.55 -2.27 114.93 120.77 1rjv h MET 85 Ca 0.07 -0.17 -0.02 0.00 -0.28 0.00 0.00 59.70 59.31 1rjv h MET 85 Cb -0.00 -0.12 0.00 0.00 -0.80 0.00 0.00 31.60 30.68 1rjv h MET 85 CO -0.01 0.75 -0.20 1.25 0.23 0.00 0.00 176.91 178.93 1rjv h LEU 86 N 0.80 -0.47 0.14 3.39 6.46 0.15 0.16 115.31 125.94 1rjv h LEU 86 Ca 0.18 0.02 -0.01 0.00 -0.12 0.00 0.00 57.88 57.95 1rjv h LEU 86 Cb 0.30 0.13 0.00 0.00 -0.73 0.00 0.00 40.66 40.36 1rjv h LEU 86 CO -0.00 -0.32 -0.07 0.00 -0.62 0.00 0.00 178.44 177.43 1rjv h MET 87 N -0.53 -0.18 -0.78 1.25 -0.00 -1.17 0.16 114.93 113.69 1rjv h MET 87 Ca -0.05 0.01 0.00 0.00 -0.00 0.00 0.00 59.70 59.67 1rjv h MET 87 Cb 0.42 0.04 -0.04 0.00 -0.00 0.00 0.00 31.60 32.02 1rjv h MET 87 CO 0.07 -0.06 0.50 0.00 -0.00 0.00 0.00 176.91 177.42 1rjv h ALA 88 N 0.60 0.99 0.09 -3.00 0.00 -1.26 -1.06 119.26 115.62 1rjv h ALA 88 Ca -0.02 -0.07 -0.00 0.00 0.00 0.00 0.00 54.91 54.82 1rjv h ALA 88 Cb 0.20 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 17.67 1rjv h ALA 88 CO 0.03 0.42 -0.04 0.00 0.00 0.00 0.00 179.25 179.66 1rjv h ALA 89 N 1.27 -0.12 0.00 0.00 0.00 -0.74 -3.38 119.26 116.29 1rjv h ALA 89 Ca 0.28 -0.27 -0.03 0.00 0.00 0.00 0.00 54.91 54.89 1rjv h ALA 89 Cb -0.10 0.05 -0.00 0.00 0.00 0.00 0.00 17.79 17.74 1rjv h ALA 89 CO -0.06 -0.21 -0.13 0.78 0.00 0.00 0.00 179.25 179.63 1rjv h GLY 90 N -0.84 0.00 -4.30 0.00 0.00 -0.46 -2.96 103.07 94.51 1rjv h GLY 90 Ca -0.01 0.00 -0.44 0.00 0.00 0.00 0.00 47.33 46.88 1rjv h GLY 90 CO 0.02 0.00 0.32 1.34 0.00 0.00 0.00 176.54 178.22 1rjv n ASP 91 N -4.14 6.35 0.31 0.19 2.03 -0.42 -4.62 116.55 116.25 1rjv n ASP 91 Ca -0.02 -3.11 0.16 0.00 0.52 0.00 0.00 54.79 52.34 1rjv n ASP 91 Cb 0.21 -1.22 0.85 0.00 -0.72 0.00 0.00 41.12 40.24 1rjv n ASP 91 CO 0.00 0.00 0.00 0.11 -1.92 0.00 0.00 177.20 175.39 1rjv h LYS 92 N 2.74 0.00 0.00 -0.67 1.57 -1.76 -0.89 116.57 117.56 1rjv h LYS 92 Ca 0.36 0.00 -0.13 0.00 -1.87 0.00 0.00 60.65 59.00 1rjv h LYS 92 Cb 0.83 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.11 1rjv h LYS 92 CO 0.80 0.00 -0.93 0.38 -0.57 0.00 0.00 179.45 179.13 1rjv h ASP 93 N 0.00 0.00 0.00 0.86 3.04 -1.91 -3.49 116.42 114.92 1rjv h ASP 93 Ca 0.02 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.81 1rjv h ASP 93 Cb 0.64 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.93 1rjv h ASP 93 CO -0.00 0.55 0.00 0.61 -2.04 0.00 0.00 179.24 178.36 1rjv n GLY 94 N 1.30 0.94 0.29 7.15 0.00 -0.34 -5.02 105.19 109.52 1rjv n GLY 94 Ca -0.03 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.07 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 0.18 0.00 1.61 3.32 -1.96 -3.47 116.42 116.10 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 -0.04 0.00 0.00 0.22 0.00 0.00 39.33 39.51 1rjv h ASP 95 CO 0.00 0.13 0.00 0.61 -1.72 0.00 0.00 179.24 178.26 1rjv n GLY 96 N -1.53 0.73 3.04 2.75 0.00 -1.26 -5.09 105.19 103.84 1rjv n GLY 96 Ca 0.01 -0.20 -0.12 0.00 0.00 0.00 0.00 46.02 45.71 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 -0.68 0.26 -0.11 1.61 3.01 -1.26 -4.90 119.74 117.67 1rjv s LYS 97 Ca 0.00 -0.02 -0.29 0.00 -1.01 0.00 0.00 55.97 54.65 1rjv s LYS 97 Cb 0.00 0.12 -0.05 0.00 -1.01 0.00 0.00 37.83 36.89 1rjv s LYS 97 CO 0.00 -0.05 1.68 0.42 0.51 0.00 0.00 175.35 177.91 1rjv s ILE 98 N -0.42 3.57 -0.02 2.17 1.01 -0.65 -4.62 121.20 122.24 1rjv s ILE 98 Ca -0.05 0.68 -0.01 0.00 0.00 0.00 0.00 60.65 61.27 1rjv s ILE 98 Cb -0.03 -3.50 -0.04 0.00 0.01 0.00 0.00 42.46 38.90 1rjv s ILE 98 CO 0.01 -0.13 0.07 -0.83 0.00 0.00 0.00 174.94 174.06 1rjv s GLY 99 N 3.90 2.00 0.19 6.18 0.00 -1.26 -1.60 107.32 116.72 1rjv s GLY 99 Ca 0.75 -0.85 -0.16 0.00 0.00 0.00 0.00 44.72 44.45 1rjv s GLY 99 CO 0.30 -0.71 1.64 -0.24 0.00 0.00 0.00 173.10 174.09 1rjv h VAL 100 N 3.39 0.44 -0.46 1.40 3.04 -1.95 -0.16 116.25 121.94 1rjv h VAL 100 Ca -0.50 0.00 -0.11 0.00 -1.01 0.00 0.00 66.70 65.09 1rjv h VAL 100 Cb 1.19 0.44 -0.02 0.00 -2.01 0.00 0.00 31.29 30.89 1rjv h VAL 100 CO 0.61 0.00 -0.13 -0.78 -1.01 0.00 0.00 177.57 176.26 1rjv h ASP 101 N -0.04 0.86 0.64 3.17 3.58 -1.97 -0.66 116.42 122.00 1rjv h ASP 101 Ca 0.24 -0.28 -0.03 0.00 0.42 0.00 0.00 57.03 57.38 1rjv h ASP 101 Cb 0.41 -0.23 0.01 0.00 1.72 0.00 0.00 39.33 41.23 1rjv h ASP 101 CO -0.54 1.00 -0.31 -0.33 -2.88 0.00 0.00 179.24 176.18 1rjv h GLU 102 N 0.77 -0.83 -0.95 0.28 3.07 -1.85 -3.24 114.58 111.83 1rjv h GLU 102 Ca 0.12 0.06 0.13 0.00 -0.50 0.00 0.00 59.36 59.17 1rjv h GLU 102 Cb 0.65 0.19 -0.08 0.00 -0.84 0.00 0.00 28.75 28.67 1rjv h GLU 102 CO 0.05 -0.54 0.60 0.35 -1.40 0.00 0.00 179.01 178.07 1rjv h PHE 103 N -0.89 1.00 -0.98 4.33 3.57 -0.47 0.31 116.94 123.82 1rjv h PHE 103 Ca -0.09 0.03 0.06 0.00 3.53 0.00 0.00 57.97 61.50 1rjv h PHE 103 Cb 0.67 -0.32 -0.07 0.00 2.79 0.00 0.00 35.95 39.02 1rjv h PHE 103 CO -0.02 0.39 0.63 1.03 -2.23 0.00 0.00 178.31 178.11 1rjv h SER 104 N 0.87 1.01 0.00 0.41 0.87 -1.21 -3.28 113.55 112.21 1rjv h SER 104 Ca 0.47 0.01 -0.02 0.00 -1.23 0.00 0.00 61.79 61.03 1rjv h SER 104 Cb 0.57 -0.21 -0.00 0.00 -0.44 0.00 0.00 62.40 62.33 1rjv h SER 104 CO -0.24 0.65 -1.87 0.35 -0.53 0.00 0.00 176.83 175.19 1rjv n THR 105 N -4.52 0.06 -0.33 2.23 -2.24 -0.10 -4.31 114.28 105.08 1rjv n THR 105 Ca 0.15 -0.44 0.24 0.00 -2.27 0.00 0.00 64.05 61.72 1rjv n THR 105 Cb 0.18 0.04 0.44 0.00 -2.10 0.00 0.00 70.33 68.89 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 -2.17 0.13 0.01 3.22 -0.00 0.90 -0.69 117.00 118.40 1rjv n LEU 106 Ca -0.05 1.65 0.11 0.00 -0.00 0.00 0.00 56.01 57.72 1rjv n LEU 106 Cb 0.52 -0.71 0.12 0.00 -0.00 0.00 0.00 43.42 43.34 1rjv n LEU 106 CO 0.39 -1.76 0.23 1.33 -0.00 0.00 0.00 177.39 177.58 1rjv n VAL 107 N -5.33 0.07 -0.07 1.96 0.24 -1.26 -1.55 118.33 112.40 1rjv n VAL 107 Ca 0.31 -0.09 -0.18 0.00 -2.04 0.00 0.00 64.34 62.34 1rjv n VAL 107 Cb 1.03 0.34 -0.13 0.00 -1.47 0.00 0.00 33.84 33.62 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 2.84 0.10 0.00 2.33 0.00 -1.33 -3.20 119.26 120.00 1rjv h ALA 108 Ca 0.00 -0.80 0.00 0.00 0.00 0.00 0.00 54.91 54.11 1rjv h ALA 108 Cb 0.58 0.30 0.00 0.00 0.00 0.00 0.00 17.79 18.67 1rjv h ALA 108 CO 0.00 0.32 0.00 0.39 0.00 0.00 0.00 179.25 179.96 1rjv n GLU 109 N -4.47 0.08 0.00 0.00 -0.58 0.13 -5.14 120.64 110.66 1rjv n GLU 109 Ca -0.19 0.05 0.00 0.00 -0.42 0.00 0.00 57.16 56.60 1rjv n GLU 109 Cb 0.60 -1.50 0.00 0.00 -0.57 0.00 0.00 31.44 29.97 1rjv n GLU 109 CO 0.00 0.00 0.00 -1.13 -0.48 0.00 0.00 177.13 175.52