#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3jyv h LEU 7 N 0.00 0.57 0.29 -1.96 4.07 -2.01 -3.32 115.31 112.95 3jyv h LEU 7 Ca 0.00 -0.92 0.00 0.00 0.08 0.00 0.00 57.88 57.05 3jyv h LEU 7 Cb 0.00 -0.19 -0.03 0.00 1.08 0.00 0.00 40.66 41.52 3jyv h LEU 7 CO 0.00 1.60 -0.44 0.00 -1.08 0.00 0.00 178.44 178.52 3jyv h ALA 8 N 0.07 -0.90 -0.64 1.53 0.00 -2.00 -3.11 119.26 114.21 3jyv h ALA 8 Ca -0.25 -0.12 -0.00 0.00 0.00 0.00 0.00 54.91 54.54 3jyv h ALA 8 Cb 1.89 0.69 -0.03 0.00 0.00 0.00 0.00 17.79 20.34 3jyv h ALA 8 CO 0.17 -1.06 0.39 0.38 0.00 0.00 0.00 179.25 179.13 3jyv h ASP 9 N -0.79 0.77 0.00 0.00 2.03 -2.01 -3.38 116.42 113.03 3jyv h ASP 9 Ca -0.02 -0.05 0.00 0.00 -0.73 0.00 0.00 57.03 56.23 3jyv h ASP 9 Cb 0.75 -0.19 0.00 0.00 -0.83 0.00 0.00 39.33 39.06 3jyv h ASP 9 CO -0.15 0.60 0.00 0.00 -1.03 0.00 0.00 179.24 178.65 3jyv n ALA 10 N -2.30 0.00 0.76 4.15 0.00 -1.17 -2.13 120.51 119.81 3jyv n ALA 10 Ca 0.05 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.62 3jyv n ALA 10 Cb 0.05 0.46 0.49 0.00 0.00 0.00 0.00 19.45 20.45 3jyv n ALA 10 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3jyv n LEU 11 N -2.86 0.44 0.07 0.00 4.77 -1.26 -3.04 117.00 115.11 3jyv n LEU 11 Ca 0.00 0.55 -0.14 0.00 -0.03 0.00 0.00 56.01 56.39 3jyv n LEU 11 Cb 0.00 -0.42 -0.06 0.00 -2.33 0.00 0.00 43.42 40.62 3jyv n LEU 11 CO 0.00 -0.14 0.15 0.78 -1.33 0.00 0.00 177.39 176.85 3jyv h ASN 12 N 0.00 0.51 -0.23 -1.43 2.35 -1.61 -2.87 115.58 112.31 3jyv h ASN 12 Ca 0.00 -0.43 -0.03 0.00 -0.55 0.00 0.00 56.30 55.30 3jyv h ASN 12 Cb 0.59 -0.16 -0.01 0.00 0.05 0.00 0.00 38.32 38.80 3jyv h ASN 12 CO 0.00 1.24 0.04 0.00 -1.65 0.00 0.00 177.43 177.06 3jyv h ALA 13 N 0.72 0.30 0.00 -0.83 0.00 -1.34 -1.78 119.26 116.33 3jyv h ALA 13 Ca -0.09 -0.17 -0.10 0.00 0.00 0.00 0.00 54.91 54.55 3jyv h ALA 13 Cb 1.63 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 19.32 3jyv h ALA 13 CO 0.17 -0.03 -0.49 0.97 0.00 0.00 0.00 179.25 179.87 3jyv h ILE 14 N 0.18 1.16 -0.13 0.00 2.10 -1.67 -2.69 117.51 116.46 3jyv h ILE 14 Ca 0.07 -1.81 -0.17 0.00 1.08 0.00 0.00 64.86 64.04 3jyv h ILE 14 Cb 0.30 2.03 0.01 0.00 -1.09 0.00 0.00 36.82 38.07 3jyv h ILE 14 CO 0.00 0.48 -0.58 -1.13 -1.08 0.00 0.00 178.15 175.84 3jyv h ASN 15 N 0.00 0.73 1.01 2.19 -1.24 -1.37 -2.98 115.58 113.92 3jyv h ASN 15 Ca -0.00 -0.63 -0.04 0.00 0.71 0.00 0.00 56.30 56.34 3jyv h ASN 15 Cb 0.99 -0.22 -0.01 0.00 0.73 0.00 0.00 38.32 39.82 3jyv h ASN 15 CO 0.06 1.24 -0.17 0.78 -1.29 0.00 0.00 177.43 178.06 3jyv h ASN 16 N 0.27 0.00 -0.45 1.15 2.35 -1.31 -1.93 115.58 115.67 3jyv h ASN 16 Ca -0.04 0.00 -0.14 0.00 -0.55 0.00 0.00 56.30 55.58 3jyv h ASN 16 Cb 1.22 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 39.58 3jyv h ASN 16 CO 0.12 0.17 -0.25 0.00 -1.65 0.00 0.00 177.43 175.82 3jyv h ALA 17 N 1.83 0.64 0.00 -0.83 0.00 -1.45 -2.86 119.26 116.59 3jyv h ALA 17 Ca -0.00 -0.40 -0.14 0.00 0.00 0.00 0.00 54.91 54.36 3jyv h ALA 17 Cb 0.72 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.34 3jyv h ALA 17 CO 0.02 0.65 -0.67 0.93 0.00 0.00 0.00 179.25 180.18 3jyv h GLU 18 N 0.81 0.00 -0.33 0.00 4.39 -1.31 0.23 114.58 118.36 3jyv h GLU 18 Ca 0.10 0.00 -0.05 0.00 0.34 0.00 0.00 59.36 59.75 3jyv h GLU 18 Cb 0.83 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.47 3jyv h GLU 18 CO 0.07 0.67 0.02 -0.22 -1.16 0.00 0.00 179.01 178.40 3jyv h LYS 19 N 0.00 0.57 0.23 2.33 3.64 -1.29 -3.21 116.57 118.84 3jyv h LYS 19 Ca -0.01 -0.17 -0.33 0.00 -1.27 0.00 0.00 60.65 58.87 3jyv h LYS 19 Cb 1.23 -0.06 0.03 0.00 -0.41 0.00 0.00 32.23 33.02 3jyv h LYS 19 CO 0.09 0.68 -1.48 1.79 -2.27 0.00 0.00 179.45 178.26 3jyv h THR 20 N 0.39 1.28 0.00 1.00 1.35 -1.57 -3.49 112.91 111.88 3jyv h THR 20 Ca 0.10 -2.74 0.00 0.00 -0.55 0.00 0.00 66.41 63.22 3jyv h THR 20 Cb 0.41 3.01 0.00 0.00 -1.73 0.00 0.00 68.15 69.84 3jyv h THR 20 CO 0.01 0.83 0.00 0.61 -0.25 0.00 0.00 175.52 176.72 3jyv n GLY 21 N 1.70 0.70 3.72 5.82 0.00 -0.59 -5.10 105.19 111.44 3jyv n GLY 21 Ca -0.16 -0.01 -0.41 0.00 0.00 0.00 0.00 46.02 45.44 3jyv n GLY 21 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3jyv s LYS 22 N 0.57 4.58 -0.04 1.61 1.02 -0.03 -4.99 119.74 122.46 3jyv s LYS 22 Ca 0.00 1.31 -0.24 0.00 0.02 0.00 0.00 55.97 57.06 3jyv s LYS 22 Cb 0.00 -3.42 -0.23 0.00 -0.52 0.00 0.00 37.83 33.66 3jyv s LYS 22 CO 0.00 0.09 1.04 0.00 -0.92 0.00 0.00 175.35 175.57 3jyv h ARG 23 N 6.25 0.19 -6.37 1.68 3.08 -1.92 -3.43 114.38 113.86 3jyv h ARG 23 Ca -0.42 -0.20 -0.64 0.00 0.07 0.00 0.00 59.98 58.79 3jyv h ARG 23 Cb 1.21 0.05 -0.12 0.00 0.08 0.00 0.00 29.97 31.20 3jyv h ARG 23 CO 0.73 0.92 -0.67 1.14 -1.07 0.00 0.00 179.97 181.03 3jyv s GLN 24 N -3.17 2.46 0.05 0.04 -2.07 -1.26 -1.41 119.66 114.29 3jyv s GLN 24 Ca -0.16 -0.94 0.05 0.00 -1.82 0.00 0.00 55.36 52.49 3jyv s GLN 24 Cb 0.01 -2.46 -0.04 0.00 -1.09 0.00 0.00 33.01 29.44 3jyv s GLN 24 CO 0.75 0.51 -0.08 0.54 -1.32 0.00 0.00 175.29 175.68 3jyv s VAL 25 N -1.43 3.50 -0.51 3.63 0.11 -1.09 -4.96 120.40 119.66 3jyv s VAL 25 Ca 0.26 -1.00 -0.05 0.00 -2.93 0.00 0.00 61.98 58.25 3jyv s VAL 25 Cb -0.11 -2.57 0.13 0.00 -1.53 0.00 0.00 36.38 32.30 3jyv s VAL 25 CO 0.18 0.27 0.34 -0.76 -3.33 0.00 0.00 175.10 171.80 3jyv s LEU 26 N -1.77 5.47 0.37 2.54 2.01 -1.26 -3.94 118.68 122.10 3jyv s LEU 26 Ca 0.19 -2.24 0.05 0.00 0.01 0.00 0.00 54.13 52.13 3jyv s LEU 26 Cb -0.11 -1.91 -0.06 0.00 0.01 0.00 0.00 46.19 44.11 3jyv s LEU 26 CO 0.10 -0.55 0.05 0.27 1.01 0.00 0.00 176.35 177.23 3jyv s ILE 27 N 0.84 1.39 0.21 -0.59 -0.00 -1.26 -5.10 121.20 116.70 3jyv s ILE 27 Ca 0.10 -2.00 0.00 0.00 -0.00 0.00 0.00 60.65 58.75 3jyv s ILE 27 Cb -0.23 -2.80 0.00 0.00 -0.00 0.00 0.00 42.46 39.44 3jyv s ILE 27 CO -0.03 0.00 0.00 -1.14 -0.00 0.00 0.00 174.94 173.77 3jyv n ARG 28 N -0.82 0.00 -0.75 0.37 0.63 -1.26 -3.33 116.66 111.51 3jyv n ARG 28 Ca -0.04 0.00 -0.33 0.00 -0.92 0.00 0.00 57.85 56.56 3jyv n ARG 28 Cb 0.67 -0.04 0.14 0.00 0.45 0.00 0.00 32.46 33.68 3jyv n ARG 28 CO 0.00 0.00 0.00 -2.30 -2.51 0.00 0.00 177.63 172.82 3jyv n PRO 29 N -3.25 -0.99 -3.63 -0.14 -0.02 -1.26 -3.20 135.00 122.50 3jyv n PRO 29 Ca 0.00 -0.26 -0.04 0.00 -2.02 0.00 0.00 63.50 61.18 3jyv n PRO 29 Cb 0.00 -1.69 -0.06 0.00 -0.02 0.00 0.00 33.50 31.73 3jyv n PRO 29 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 3jyv s SER 30 N -1.82 -0.99 0.00 2.55 0.15 -1.26 -4.74 113.70 107.58 3jyv s SER 30 Ca 0.55 1.48 0.00 0.00 0.70 0.00 0.00 55.95 58.67 3jyv s SER 30 Cb -0.14 1.77 0.00 0.00 -1.71 0.00 0.00 66.02 65.94 3jyv s SER 30 CO 0.67 -0.22 0.00 -1.20 1.20 0.00 0.00 173.24 173.69 3jyv n SER 31 N 4.78 0.00 -4.00 5.45 7.64 -1.26 -4.65 113.62 121.58 3jyv n SER 31 Ca -0.16 0.00 -0.35 0.00 1.01 0.00 0.00 58.87 59.37 3jyv n SER 31 Cb 0.55 0.00 -0.06 0.00 -1.01 0.00 0.00 64.21 63.68 3jyv n SER 31 CO 0.00 0.00 0.00 1.17 -3.01 0.00 0.00 175.04 173.20 3jyv n LYS 32 N 0.00 2.72 -2.71 1.43 0.00 -1.26 -4.83 118.16 113.51 3jyv n LYS 32 Ca 0.00 -4.51 -0.06 0.00 0.00 0.00 0.00 58.31 53.74 3jyv n LYS 32 Cb 0.00 -2.39 0.06 0.00 0.00 0.00 0.00 35.03 32.69 3jyv n LYS 32 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.40 178.95 3jyv n VAL 33 N 2.01 0.83 -3.61 3.15 3.14 -1.26 -5.21 118.33 117.38 3jyv n VAL 33 Ca 0.23 -2.62 -0.16 0.00 -2.96 0.00 0.00 64.34 58.83 3jyv n VAL 33 Cb 0.37 0.91 -0.14 0.00 -1.06 0.00 0.00 33.84 33.92 3jyv n VAL 33 CO 0.00 0.00 0.00 0.27 -6.46 0.00 0.00 176.83 170.64 3jyv s ILE 34 N -2.53 -0.32 0.00 1.55 -4.36 -1.26 -5.03 121.20 109.25 3jyv s ILE 34 Ca 0.25 0.17 0.00 0.00 -0.26 0.00 0.00 60.65 60.81 3jyv s ILE 34 Cb 0.41 -0.47 0.00 0.00 1.25 0.00 0.00 42.46 43.66 3jyv s ILE 34 CO -0.01 0.02 0.00 0.00 0.24 0.00 0.00 174.94 175.19 3jyv n ILE 35 N 5.33 0.00 0.23 8.37 0.00 -1.26 -5.03 119.36 127.00 3jyv n ILE 35 Ca -0.05 0.00 0.12 0.00 0.00 0.00 0.00 62.75 62.81 3jyv n ILE 35 Cb 0.50 0.00 0.07 0.00 0.00 0.00 0.00 39.64 40.21 3jyv n ILE 35 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 176.55 176.62 3jyv h LYS 36 N 0.00 0.00 0.00 9.51 2.10 -1.96 -2.47 116.57 123.75 3jyv h LYS 36 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 3jyv h LYS 36 Cb 0.00 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.33 3jyv h LYS 36 CO 0.00 0.00 0.00 0.27 -2.00 0.00 0.00 179.45 177.72 3jyv h PHE 37 N 0.00 0.00 0.00 0.07 -0.00 -1.96 -2.04 116.94 113.01 3jyv h PHE 37 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.97 57.97 3jyv h PHE 37 Cb 0.94 0.00 0.00 0.00 -0.00 0.00 0.00 35.95 36.89 3jyv h PHE 37 CO 0.00 0.00 0.00 -0.07 -0.00 0.00 0.00 178.31 178.24 3jyv h LEU 38 N 0.00 0.00 0.00 2.10 4.07 -1.88 0.11 115.31 119.72 3jyv h LEU 38 Ca 0.00 0.00 -0.10 0.00 0.08 0.00 0.00 57.88 57.86 3jyv h LEU 38 Cb 0.85 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 42.58 3jyv h LEU 38 CO 0.00 0.00 -0.55 1.56 -1.08 0.00 0.00 178.44 178.37 3jyv h GLN 39 N 0.00 0.00 -0.08 1.13 4.20 -1.08 -1.77 115.11 117.51 3jyv h GLN 39 Ca 0.00 0.00 -0.18 0.00 0.06 0.00 0.00 58.65 58.53 3jyv h GLN 39 Cb 0.71 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.49 3jyv h GLN 39 CO 0.00 0.41 -0.72 0.28 -0.67 0.00 0.00 178.83 178.13 3jyv h VAL 40 N 0.00 1.38 -0.26 -0.54 2.07 -0.71 -1.36 116.25 116.83 3jyv h VAL 40 Ca -0.02 -2.13 -0.08 0.00 0.82 0.00 0.00 66.70 65.29 3jyv h VAL 40 Cb 1.35 2.10 -0.01 0.00 -1.52 0.00 0.00 31.29 33.21 3jyv h VAL 40 CO 0.05 0.64 -0.20 0.24 0.02 0.00 0.00 177.57 178.33 3jyv h MET 41 N 0.27 0.47 -0.28 1.57 2.86 -0.79 -1.72 114.93 117.31 3jyv h MET 41 Ca -0.03 -0.16 -0.09 0.00 -2.06 0.00 0.00 59.70 57.36 3jyv h MET 41 Cb 1.29 -0.04 -0.01 0.00 0.06 0.00 0.00 31.60 32.91 3jyv h MET 41 CO 0.12 0.65 -0.18 0.37 1.06 0.00 0.00 176.91 178.93 3jyv h GLN 42 N 0.42 0.62 -0.82 1.72 4.15 -1.11 0.17 115.11 120.27 3jyv h GLN 42 Ca 0.07 -0.29 -0.02 0.00 0.77 0.00 0.00 58.65 59.18 3jyv h GLN 42 Cb 0.59 -0.01 -0.04 0.00 0.21 0.00 0.00 27.48 28.23 3jyv h GLN 42 CO 0.04 0.88 0.45 0.87 -1.93 0.00 0.00 178.83 179.13 3jyv h LYS 43 N 0.36 1.14 0.00 1.69 1.57 -1.14 -2.80 116.57 117.39 3jyv h LYS 43 Ca 0.06 -0.13 0.00 0.00 -1.87 0.00 0.00 60.65 58.71 3jyv h LYS 43 Cb 0.72 -0.22 0.00 0.00 0.08 0.00 0.00 32.23 32.80 3jyv h LYS 43 CO 0.05 0.83 -0.32 0.45 -0.57 0.00 0.00 179.45 179.90 3jyv h HIS 44 N 1.14 0.00 0.00 -1.35 3.86 -1.26 -3.48 115.15 114.06 3jyv h HIS 44 Ca 0.29 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.50 3jyv h HIS 44 Cb 0.03 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.50 3jyv h HIS 44 CO 0.01 0.00 0.00 0.41 0.86 0.00 0.00 177.93 179.21 3jyv n GLY 45 N 1.22 1.20 0.10 2.45 0.00 -0.37 -4.99 105.19 104.79 3jyv n GLY 45 Ca 0.04 -0.40 -0.13 0.00 0.00 0.00 0.00 46.02 45.53 3jyv n GLY 45 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3jyv n TYR 46 N -2.33 0.86 -4.39 1.61 4.02 0.46 -4.95 117.16 112.44 3jyv n TYR 46 Ca 0.00 0.26 -0.20 0.00 -0.01 0.00 0.00 57.90 57.95 3jyv n TYR 46 Cb 0.18 -1.14 -0.06 0.00 -0.02 0.00 0.00 39.34 38.30 3jyv n TYR 46 CO 0.00 0.00 0.00 0.44 -1.01 0.00 0.00 176.86 176.29 3jyv n ILE 47 N -3.13 0.00 0.00 -0.72 -5.35 -1.17 -4.51 119.36 104.48 3jyv n ILE 47 Ca -0.25 -1.85 0.00 0.00 -0.27 0.00 0.00 62.75 60.38 3jyv n ILE 47 Cb 1.06 0.66 0.00 0.00 -1.74 0.00 0.00 39.64 39.62 3jyv n ILE 47 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3jyv n GLY 48 N -0.10 2.15 3.92 3.28 0.00 -0.82 -4.43 105.19 109.20 3jyv n GLY 48 Ca -0.05 -0.43 -0.27 0.00 0.00 0.00 0.00 46.02 45.27 3jyv n GLY 48 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3jyv s GLU 49 N 4.26 2.37 0.13 1.61 0.41 -1.26 -4.78 118.70 121.44 3jyv s GLU 49 Ca 0.00 -0.11 -0.21 0.00 -0.41 0.00 0.00 54.97 54.25 3jyv s GLU 49 Cb 0.00 -2.15 0.05 0.00 -1.78 0.00 0.00 34.13 30.25 3jyv s GLU 49 CO 0.00 -1.15 0.52 -0.59 -0.49 0.00 0.00 175.26 173.54 3jyv s PHE 50 N -3.24 -0.40 0.14 1.61 -0.12 -1.26 -1.53 117.98 113.17 3jyv s PHE 50 Ca 0.59 0.21 -0.03 0.00 -0.05 0.00 0.00 56.93 57.65 3jyv s PHE 50 Cb -0.11 0.41 0.01 0.00 -0.63 0.00 0.00 43.02 42.71 3jyv s PHE 50 CO 0.46 -0.76 0.24 -0.85 -0.05 0.00 0.00 175.22 174.26 3jyv n GLU 51 N -0.17 0.35 -4.43 1.99 0.28 -0.97 -4.99 120.64 112.69 3jyv n GLU 51 Ca -0.17 -0.93 -0.20 0.00 -0.16 0.00 0.00 57.16 55.70 3jyv n GLU 51 Cb 0.64 1.02 -0.14 0.00 1.43 0.00 0.00 31.44 34.39 3jyv n GLU 51 CO 0.00 0.00 0.00 -0.47 -0.16 0.00 0.00 177.13 176.50 3jyv s TYR 52 N -5.43 1.14 0.05 -1.84 5.04 -1.26 -1.47 117.35 113.57 3jyv s TYR 52 Ca 0.08 -0.29 0.06 0.00 -2.44 0.00 0.00 57.07 54.48 3jyv s TYR 52 Cb -0.01 -0.70 -0.02 0.00 0.35 0.00 0.00 41.96 41.57 3jyv s TYR 52 CO 0.06 0.01 -0.16 0.42 -1.34 0.00 0.00 175.55 174.53 3jyv s ILE 53 N -0.59 1.28 0.78 3.14 1.01 -0.49 -4.95 121.20 121.38 3jyv s ILE 53 Ca 0.03 -1.11 -0.13 0.00 0.00 0.00 0.00 60.65 59.43 3jyv s ILE 53 Cb -0.06 -1.15 0.07 0.00 0.01 0.00 0.00 42.46 41.32 3jyv s ILE 53 CO 0.00 0.02 1.17 -1.81 0.00 0.00 0.00 174.94 174.33 3jyv s ASP 54 N -1.26 3.97 0.00 3.58 1.01 -1.26 -2.15 116.67 120.56 3jyv s ASP 54 Ca 0.03 2.23 0.00 0.00 0.71 0.00 0.00 52.55 55.52 3jyv s ASP 54 Cb -0.08 -2.57 0.00 0.00 1.01 0.00 0.00 42.92 41.27 3jyv s ASP 54 CO 0.02 -2.41 0.00 -0.67 0.21 0.00 0.00 175.17 172.32 3jyv n ASP 55 N -3.16 0.22 -0.09 0.27 2.03 -1.26 -4.58 116.55 109.98 3jyv n ASP 55 Ca 0.12 -0.67 -0.23 0.00 0.52 0.00 0.00 54.79 54.53 3jyv n ASP 55 Cb 0.51 0.00 -0.12 0.00 -0.72 0.00 0.00 41.12 40.79 3jyv n ASP 55 CO 0.00 0.00 0.00 1.57 -1.92 0.00 0.00 177.20 176.85 3jyv n HIS 56 N 0.00 0.63 -3.78 -0.67 -0.00 -1.26 -4.96 115.22 105.18 3jyv n HIS 56 Ca 0.00 0.20 -0.14 0.00 -0.00 0.00 0.00 57.72 57.77 3jyv n HIS 56 Cb 0.00 -1.07 -0.15 0.00 -0.00 0.00 0.00 29.99 28.76 3jyv n HIS 56 CO 0.00 0.00 0.00 -0.98 -0.00 0.00 0.00 176.34 175.36 3jyv s ARG 57 N -2.48 0.00 1.38 1.57 1.70 -1.26 -5.00 118.95 114.86 3jyv s ARG 57 Ca -0.31 0.20 0.00 0.00 -0.47 0.00 0.00 55.73 55.16 3jyv s ARG 57 Cb 0.09 -0.19 0.00 0.00 -0.57 0.00 0.00 34.95 34.28 3jyv s ARG 57 CO 0.62 -0.14 0.00 0.43 -1.08 0.00 0.00 175.30 175.13 3jyv n SER 58 N 3.99 0.00 0.00 -2.89 7.64 -1.26 -4.95 113.62 116.15 3jyv n SER 58 Ca -0.25 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.63 3jyv n SER 58 Cb 0.52 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.72 3jyv n SER 58 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3jyv n GLY 59 N 0.00 0.34 2.99 0.23 0.00 -1.26 -4.63 105.19 102.86 3jyv n GLY 59 Ca 0.00 -1.15 -0.19 0.00 0.00 0.00 0.00 46.02 44.68 3jyv n GLY 59 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3jyv s LYS 60 N -2.00 0.79 0.53 1.61 -0.14 -0.91 -4.30 119.74 115.31 3jyv s LYS 60 Ca 0.00 -0.26 0.05 0.00 -1.36 0.00 0.00 55.97 54.40 3jyv s LYS 60 Cb 0.00 -0.76 0.05 0.00 -1.68 0.00 0.00 37.83 35.44 3jyv s LYS 60 CO 0.00 0.11 0.73 0.96 -0.76 0.00 0.00 175.35 176.39 3jyv s ILE 61 N 0.12 2.63 -0.02 2.17 -5.25 -1.20 -1.39 121.20 118.27 3jyv s ILE 61 Ca -0.02 -0.84 0.00 0.00 -0.99 0.00 0.00 60.65 58.81 3jyv s ILE 61 Cb -0.07 -2.79 0.02 0.00 2.95 0.00 0.00 42.46 42.57 3jyv s ILE 61 CO 0.00 0.00 -0.00 -0.69 -1.79 0.00 0.00 174.94 172.46 3jyv s VAL 62 N -2.64 0.14 -0.05 8.37 1.01 -0.54 -4.68 120.40 122.01 3jyv s VAL 62 Ca 0.58 0.04 0.03 0.00 0.00 0.00 0.00 61.98 62.64 3jyv s VAL 62 Cb -0.09 -0.21 0.00 0.00 0.00 0.00 0.00 36.38 36.09 3jyv s VAL 62 CO 0.37 0.10 -0.14 -0.69 0.00 0.00 0.00 175.10 174.75 3jyv s VAL 63 N 0.67 1.20 -0.18 2.92 1.01 -1.25 -2.29 120.40 122.47 3jyv s VAL 63 Ca -0.06 -0.56 -0.10 0.00 0.00 0.00 0.00 61.98 61.25 3jyv s VAL 63 Cb -0.09 -1.06 -0.05 0.00 0.00 0.00 0.00 36.38 35.18 3jyv s VAL 63 CO -0.01 0.36 0.16 -1.58 0.00 0.00 0.00 175.10 174.03 3jyv s GLN 64 N 0.29 4.13 0.45 2.72 2.00 -0.58 -2.66 119.66 126.01 3jyv s GLN 64 Ca -0.07 -0.15 0.07 0.00 -2.00 0.00 0.00 55.36 53.20 3jyv s GLN 64 Cb -0.12 -3.40 -0.01 0.00 0.80 0.00 0.00 33.01 30.28 3jyv s GLN 64 CO 0.02 0.34 0.36 -0.51 -0.50 0.00 0.00 175.29 175.00 3jyv s LEU 65 N 0.24 3.16 0.00 3.68 1.43 -0.50 -1.94 118.68 124.75 3jyv s LEU 65 Ca 0.10 -0.94 0.04 0.00 -1.03 0.00 0.00 54.13 52.30 3jyv s LEU 65 Cb -0.11 -1.71 0.06 0.00 0.03 0.00 0.00 46.19 44.46 3jyv s LEU 65 CO -0.00 -0.77 0.84 -0.46 0.23 0.00 0.00 176.35 176.18 3jyv n ASN 66 N -1.57 -0.12 -1.19 2.29 0.23 -1.26 -4.79 115.26 108.84 3jyv n ASN 66 Ca 0.02 -1.62 -0.03 0.00 -0.53 0.00 0.00 54.58 52.42 3jyv n ASN 66 Cb 0.63 -0.01 0.01 0.00 -2.08 0.00 0.00 39.78 38.33 3jyv n ASN 66 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3jyv n GLY 67 N 0.07 0.47 0.07 4.83 0.00 -1.26 -4.99 105.19 104.38 3jyv n GLY 67 Ca -0.07 -0.45 -0.09 0.00 0.00 0.00 0.00 46.02 45.41 3jyv n GLY 67 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3jyv n ARG 68 N -1.32 0.50 -2.45 1.61 5.12 -1.26 -5.02 116.66 113.83 3jyv n ARG 68 Ca -0.03 0.07 -0.42 0.00 -1.93 0.00 0.00 57.85 55.55 3jyv n ARG 68 Cb 0.52 -1.27 -0.03 0.00 -1.16 0.00 0.00 32.46 30.52 3jyv n ARG 68 CO 0.00 0.00 0.00 -0.51 -1.93 0.00 0.00 177.63 175.19 3jyv s LEU 69 N -5.69 4.40 -0.08 0.55 1.43 -1.26 -4.95 118.68 113.08 3jyv s LEU 69 Ca -0.17 2.03 -0.07 0.00 -1.03 0.00 0.00 54.13 54.90 3jyv s LEU 69 Cb 0.04 -3.59 -0.02 0.00 0.03 0.00 0.00 46.19 42.66 3jyv s LEU 69 CO 0.32 -0.40 -0.13 0.59 0.23 0.00 0.00 176.35 176.96 3jyv n ASN 70 N 3.46 0.88 -3.71 2.29 3.02 -0.56 -4.78 115.26 115.85 3jyv n ASN 70 Ca 0.07 0.27 -0.14 0.00 -0.03 0.00 0.00 54.58 54.75 3jyv n ASN 70 Cb 0.46 -0.64 -0.14 0.00 -0.61 0.00 0.00 39.78 38.86 3jyv n ASN 70 CO 0.00 0.00 0.00 -0.75 -2.62 0.00 0.00 177.26 173.89 3jyv s LYS 71 N -1.76 0.13 0.23 3.52 2.20 -1.20 -5.00 119.74 117.86 3jyv s LYS 71 Ca -0.11 0.53 0.08 0.00 -0.36 0.00 0.00 55.97 56.12 3jyv s LYS 71 Cb 0.01 -0.15 -0.04 0.00 -1.51 0.00 0.00 37.83 36.14 3jyv s LYS 71 CO 0.16 -0.22 0.02 0.00 -0.36 0.00 0.00 175.35 174.95 3jyv s GLY 73 N -3.42 -0.38 0.53 0.00 0.00 -1.07 -4.68 107.32 98.31 3jyv s GLY 73 Ca 0.30 1.12 -0.02 0.00 0.00 0.00 0.00 44.72 46.12 3jyv s GLY 73 CO 0.20 0.29 0.79 -1.34 0.00 0.00 0.00 173.10 173.04 3jyv s VAL 74 N -2.27 3.67 -0.34 1.40 -7.23 -1.26 -1.34 120.40 113.03 3jyv s VAL 74 Ca 0.13 -0.29 -0.06 0.00 -1.81 0.00 0.00 61.98 59.95 3jyv s VAL 74 Cb 0.04 -3.41 0.05 0.00 0.56 0.00 0.00 36.38 33.61 3jyv s VAL 74 CO -0.05 -0.35 0.10 -0.63 -0.31 0.00 0.00 175.10 173.87 3jyv s ILE 75 N -2.78 3.69 -0.09 -0.62 -1.09 0.00 -4.80 121.20 115.51 3jyv s ILE 75 Ca 0.52 -1.21 -0.20 0.00 -2.23 0.00 0.00 60.65 57.52 3jyv s ILE 75 Cb -0.10 -3.12 -0.17 0.00 -1.58 0.00 0.00 42.46 37.49 3jyv s ILE 75 CO 0.41 -0.21 0.71 0.28 -1.23 0.00 0.00 174.94 174.90 3jyv h SER 76 N 8.20 -0.07 -2.89 3.58 0.02 -1.96 -3.39 113.55 117.04 3jyv h SER 76 Ca -0.23 -0.53 -0.53 0.00 -0.84 0.00 0.00 61.79 59.66 3jyv h SER 76 Cb 1.08 0.02 0.03 0.00 0.14 0.00 0.00 62.40 63.67 3jyv h SER 76 CO 0.60 0.63 0.82 -2.84 -1.14 0.00 0.00 176.83 174.91 3jyv s PRO 77 N -2.70 4.26 -1.01 3.45 0.02 -1.26 -4.96 135.00 132.80 3jyv s PRO 77 Ca -0.13 2.22 -0.17 0.00 0.02 0.00 0.00 61.00 62.94 3jyv s PRO 77 Cb -0.01 -3.24 0.15 0.00 0.02 0.00 0.00 34.50 31.42 3jyv s PRO 77 CO 0.48 -0.54 1.21 1.03 -0.33 0.00 0.00 177.00 178.85 3jyv s ARG 78 N 1.28 3.75 0.80 5.54 0.52 -1.26 -4.97 118.95 124.60 3jyv s ARG 78 Ca 0.68 -2.03 -0.11 0.00 -0.52 0.00 0.00 55.73 53.74 3jyv s ARG 78 Cb -0.40 -4.95 0.07 0.00 0.52 0.00 0.00 34.95 30.19 3jyv s ARG 78 CO 0.31 -1.76 1.09 -0.06 0.02 0.00 0.00 175.30 174.90 3jyv s PHE 79 N 2.28 2.75 -0.01 -0.53 0.08 -1.26 -4.68 117.98 116.61 3jyv s PHE 79 Ca 0.35 1.25 -0.28 0.00 0.12 0.00 0.00 56.93 58.38 3jyv s PHE 79 Cb -0.04 -3.08 -0.03 0.00 -0.57 0.00 0.00 43.02 39.29 3jyv s PHE 79 CO -0.07 -1.81 0.90 -0.80 -0.10 0.00 0.00 175.22 173.35 3jyv s ASN 80 N -3.74 7.28 0.18 1.36 0.01 -1.26 -3.26 114.94 115.51 3jyv s ASN 80 Ca 0.61 1.55 0.08 0.00 -0.71 0.00 0.00 52.86 54.39 3jyv s ASN 80 Cb -0.15 -2.53 -0.04 0.00 0.41 0.00 0.00 41.25 38.94 3jyv s ASN 80 CO 0.55 -0.20 -0.07 0.68 -1.51 0.00 0.00 177.10 176.55 3jyv s VAL 81 N 0.86 3.34 0.46 1.60 -7.23 -0.66 -5.01 120.40 113.76 3jyv s VAL 81 Ca 0.48 -1.60 0.04 0.00 -1.81 0.00 0.00 61.98 59.09 3jyv s VAL 81 Cb -0.20 -2.66 -0.04 0.00 0.56 0.00 0.00 36.38 34.03 3jyv s VAL 81 CO 0.26 -0.11 0.01 -0.54 -0.31 0.00 0.00 175.10 174.40 3jyv s LYS 82 N -2.87 2.07 -0.74 4.82 1.02 -1.02 -3.24 119.74 119.77 3jyv s LYS 82 Ca 0.26 -2.26 -0.02 0.00 0.02 0.00 0.00 55.97 53.96 3jyv s LYS 82 Cb -0.09 -1.52 0.27 0.00 -0.52 0.00 0.00 37.83 35.97 3jyv s LYS 82 CO 0.16 -0.23 2.23 -0.89 -0.92 0.00 0.00 175.35 175.70 3jyv n ILE 83 N -1.11 3.52 0.14 2.17 -0.00 -1.26 -4.04 119.36 118.78 3jyv n ILE 83 Ca -0.12 -3.94 0.00 0.00 -0.00 0.00 0.00 62.75 58.69 3jyv n ILE 83 Cb 0.67 -1.33 0.00 0.00 -0.00 0.00 0.00 39.64 38.98 3jyv n ILE 83 CO 0.00 0.00 0.00 0.61 -0.00 0.00 0.00 176.55 177.16 3jyv n GLY 84 N -0.17 -1.79 3.55 7.39 0.00 -1.26 -4.98 105.19 107.93 3jyv n GLY 84 Ca 0.53 0.44 -0.43 0.00 0.00 0.00 0.00 46.02 46.56 3jyv n GLY 84 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3jyv s ASP 85 N -1.71 6.85 -0.20 1.61 1.01 -1.26 -4.08 116.67 118.89 3jyv s ASP 85 Ca 0.00 -2.44 -0.02 0.00 0.71 0.00 0.00 52.55 50.80 3jyv s ASP 85 Cb 0.00 -2.53 -0.12 0.00 1.01 0.00 0.00 42.92 41.28 3jyv s ASP 85 CO 0.00 -1.11 -0.20 -0.38 0.21 0.00 0.00 175.17 173.69 3jyv n ILE 86 N 6.03 1.11 1.75 0.77 -0.00 -1.26 -2.43 119.36 125.32 3jyv n ILE 86 Ca 0.44 -0.39 0.15 0.00 -0.00 0.00 0.00 62.75 62.95 3jyv n ILE 86 Cb 0.46 -1.34 0.82 0.00 -0.00 0.00 0.00 39.64 39.58 3jyv n ILE 86 CO 0.00 0.00 0.00 -1.84 -0.00 0.00 0.00 176.55 174.71 3jyv n GLU 87 N -3.29 0.91 -0.06 0.38 0.28 -1.26 -2.16 120.64 115.45 3jyv n GLU 87 Ca -0.36 -0.14 -0.14 0.00 -0.16 0.00 0.00 57.16 56.37 3jyv n GLU 87 Cb 0.84 -1.50 -0.02 0.00 1.43 0.00 0.00 31.44 32.20 3jyv n GLU 87 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 177.13 176.75 3jyv h LYS 88 N 0.33 0.80 -0.15 3.44 3.64 -1.88 -2.43 116.57 120.33 3jyv h LYS 88 Ca 0.00 -0.52 -0.09 0.00 -1.27 0.00 0.00 60.65 58.77 3jyv h LYS 88 Cb 0.16 0.06 0.00 0.00 -0.41 0.00 0.00 32.23 32.04 3jyv h LYS 88 CO 0.00 1.15 -0.26 -1.49 -2.27 0.00 0.00 179.45 176.57 3jyv h TRP 89 N 0.61 0.55 0.00 1.91 6.55 -1.77 -3.28 115.95 120.52 3jyv h TRP 89 Ca 0.01 -0.19 0.00 0.00 0.95 0.00 0.00 58.89 59.66 3jyv h TRP 89 Cb 1.16 -0.10 0.00 0.00 -0.86 0.00 0.00 29.16 29.35 3jyv h TRP 89 CO 0.07 0.89 0.00 1.15 -1.05 0.00 0.00 178.44 179.49 3jyv h THR 90 N 0.05 0.00 -0.18 1.49 2.02 -1.40 -0.03 112.91 114.87 3jyv h THR 90 Ca 0.01 -0.08 -0.04 0.00 0.77 0.00 0.00 66.41 67.06 3jyv h THR 90 Cb 0.85 1.06 -0.01 0.00 -1.74 0.00 0.00 68.15 68.31 3jyv h THR 90 CO 0.06 0.00 -0.06 0.00 0.37 0.00 0.00 175.52 175.89 3jyv h ALA 91 N 2.00 0.24 0.09 6.16 0.00 -1.49 -3.02 119.26 123.24 3jyv h ALA 91 Ca 0.00 -0.25 -0.36 0.00 0.00 0.00 0.00 54.91 54.30 3jyv h ALA 91 Cb 0.08 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 17.78 3jyv h ALA 91 CO 0.00 0.03 -2.02 0.27 0.00 0.00 0.00 179.25 177.53 3jyv n ASN 92 N -4.64 1.88 0.13 0.00 0.23 -0.83 -4.41 115.26 107.62 3jyv n ASN 92 Ca -0.05 0.20 -0.13 0.00 -0.53 0.00 0.00 54.58 54.07 3jyv n ASN 92 Cb 0.28 -0.66 -0.07 0.00 -2.08 0.00 0.00 39.78 37.26 3jyv n ASN 92 CO 0.00 0.00 0.00 -0.07 -0.93 0.00 0.00 177.26 176.26 3jyv h LEU 93 N 0.05 -0.31 -8.60 -4.53 4.07 -1.18 -3.38 115.31 101.42 3jyv h LEU 93 Ca -0.42 0.02 -0.67 0.00 0.08 0.00 0.00 57.88 56.89 3jyv h LEU 93 Cb 2.02 0.10 -0.22 0.00 1.08 0.00 0.00 40.66 43.64 3jyv h LEU 93 CO 0.07 -0.19 -0.56 -0.76 -1.08 0.00 0.00 178.44 175.91 3jyv s LEU 94 N -10.19 4.00 0.27 1.67 1.43 -1.14 -4.96 118.68 109.76 3jyv s LEU 94 Ca -0.15 -0.44 0.25 0.00 -1.03 0.00 0.00 54.13 52.77 3jyv s LEU 94 Cb 0.06 -2.00 0.96 0.00 0.03 0.00 0.00 46.19 45.24 3jyv s LEU 94 CO 0.65 -0.16 1.75 -0.65 0.23 0.00 0.00 176.35 178.17 3jyv h PRO 95 N 8.33 0.00 -6.30 1.29 0.11 -1.79 -3.42 132.00 130.23 3jyv h PRO 95 Ca -0.33 0.00 -0.67 0.00 0.11 0.00 0.00 66.00 65.10 3jyv h PRO 95 Cb 1.15 0.00 -0.17 0.00 0.11 0.00 0.00 31.00 32.09 3jyv h PRO 95 CO 0.60 0.00 -0.71 0.00 -0.21 0.00 0.00 178.00 177.69 3jyv s ALA 96 N -3.29 3.01 0.07 -0.75 0.00 -1.26 -5.09 121.76 114.44 3jyv s ALA 96 Ca 0.06 -1.02 0.06 0.00 0.00 0.00 0.00 51.96 51.05 3jyv s ALA 96 Cb 0.10 -1.12 -0.04 0.00 0.00 0.00 0.00 23.12 22.06 3jyv s ALA 96 CO 0.46 0.61 -0.08 1.03 0.00 0.00 0.00 175.76 177.78 3jyv s ARG 97 N -1.42 2.30 0.00 0.00 1.81 -1.26 -4.56 118.95 115.82 3jyv s ARG 97 Ca 0.17 -0.92 0.00 0.00 -1.72 0.00 0.00 55.73 53.26 3jyv s ARG 97 Cb -0.11 -2.38 0.00 0.00 -0.45 0.00 0.00 34.95 32.00 3jyv s ARG 97 CO 0.07 0.54 0.00 0.94 -0.68 0.00 0.00 175.30 176.17 3jyv n GLN 98 N 0.94 0.00 -2.62 3.54 7.27 -1.26 -4.98 117.38 120.26 3jyv n GLN 98 Ca -0.14 0.00 -0.38 0.00 0.07 0.00 0.00 57.00 56.55 3jyv n GLN 98 Cb 0.52 0.00 -0.05 0.00 2.41 0.00 0.00 30.24 33.12 3jyv n GLN 98 CO 0.00 0.00 0.00 -0.06 0.07 0.00 0.00 177.06 177.07 3jyv s PHE 99 N 0.00 3.55 0.00 3.69 0.08 -1.26 -4.94 117.98 119.10 3jyv s PHE 99 Ca 0.00 1.73 0.00 0.00 0.12 0.00 0.00 56.93 58.78 3jyv s PHE 99 Cb 0.00 -3.08 0.00 0.00 -0.57 0.00 0.00 43.02 39.37 3jyv s PHE 99 CO 0.00 -0.23 0.00 0.41 -0.10 0.00 0.00 175.22 175.30 3jyv n GLY 100 N 0.73 -0.91 3.48 4.36 0.00 -1.26 -4.77 105.19 106.83 3jyv n GLY 100 Ca 0.02 -1.67 -0.11 0.00 0.00 0.00 0.00 46.02 44.26 3jyv n GLY 100 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3jyv s TYR 101 N -1.57 -0.48 -0.10 1.61 1.13 -0.60 -4.99 117.35 112.35 3jyv s TYR 101 Ca 0.00 0.23 -0.04 0.00 -1.41 0.00 0.00 57.07 55.85 3jyv s TYR 101 Cb 0.00 0.57 -0.04 0.00 -1.10 0.00 0.00 41.96 41.40 3jyv s TYR 101 CO 0.00 -0.90 0.06 0.08 -2.51 0.00 0.00 175.55 172.28 3jyv s VAL 102 N -3.78 4.81 -0.25 -3.49 1.01 -1.26 -2.22 120.40 115.23 3jyv s VAL 102 Ca 0.03 -0.06 -0.14 0.00 0.00 0.00 0.00 61.98 61.81 3jyv s VAL 102 Cb -0.02 -3.06 -0.04 0.00 0.00 0.00 0.00 36.38 33.27 3jyv s VAL 102 CO -0.10 0.61 0.34 -0.63 0.00 0.00 0.00 175.10 175.32 3jyv s ILE 103 N -0.93 5.21 -0.03 2.22 -1.09 -0.62 -2.43 121.20 123.53 3jyv s ILE 103 Ca 0.14 0.53 -0.02 0.00 -2.23 0.00 0.00 60.65 59.07 3jyv s ILE 103 Cb -0.12 -3.67 -0.04 0.00 -1.58 0.00 0.00 42.46 37.05 3jyv s ILE 103 CO 0.03 0.21 0.12 -0.76 -1.23 0.00 0.00 174.94 173.31 3jyv s LEU 104 N 1.77 4.14 -0.72 2.97 1.43 -1.19 -2.59 118.68 124.49 3jyv s LEU 104 Ca 0.15 0.27 -0.22 0.00 -1.03 0.00 0.00 54.13 53.30 3jyv s LEU 104 Cb -0.15 -2.34 0.08 0.00 0.03 0.00 0.00 46.19 43.81 3jyv s LEU 104 CO 0.09 0.30 1.00 -0.89 0.23 0.00 0.00 176.35 177.07 3jyv s THR 105 N -1.20 4.41 0.47 5.49 2.01 -0.83 -3.05 115.64 122.93 3jyv s THR 105 Ca 0.23 -0.62 -0.05 0.00 0.31 0.00 0.00 61.69 61.55 3jyv s THR 105 Cb -0.12 -4.71 0.10 0.00 0.01 0.00 0.00 72.50 67.79 3jyv s THR 105 CO 0.13 -1.47 0.64 0.35 -0.69 0.00 0.00 174.62 173.58 3jyv n THR 106 N 5.85 0.00 0.08 -0.82 -2.24 -0.54 -0.62 114.28 115.99 3jyv n THR 106 Ca 0.02 -0.65 -0.11 0.00 -2.27 0.00 0.00 64.05 61.04 3jyv n THR 106 Cb 0.46 -1.49 -0.10 0.00 -2.10 0.00 0.00 70.33 67.09 3jyv n THR 106 CO 0.00 0.00 0.00 -1.28 -0.57 0.00 0.00 175.07 173.22 3jyv h SER 107 N -0.69 0.23 -0.68 3.42 0.87 -1.72 -3.32 113.55 111.66 3jyv h SER 107 Ca -0.21 -0.23 -0.44 0.00 -1.23 0.00 0.00 61.79 59.68 3jyv h SER 107 Cb 0.64 -0.07 -0.12 0.00 -0.44 0.00 0.00 62.40 62.40 3jyv h SER 107 CO 0.17 1.15 0.63 0.00 -0.53 0.00 0.00 176.83 178.25 3jyv n ALA 108 N -2.45 6.55 0.00 6.23 0.00 -1.26 -4.97 120.51 124.62 3jyv n ALA 108 Ca -0.04 -2.83 0.00 0.00 0.00 0.00 0.00 53.44 50.57 3jyv n ALA 108 Cb 0.95 -2.36 0.00 0.00 0.00 0.00 0.00 19.45 18.04 3jyv n ALA 108 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3jyv n GLY 109 N 1.66 -1.73 3.46 0.00 0.00 -1.25 -4.77 105.19 102.56 3jyv n GLY 109 Ca 0.51 -1.40 -0.36 0.00 0.00 0.00 0.00 46.02 44.76 3jyv n GLY 109 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3jyv s ILE 110 N 0.00 4.32 0.00 -0.61 1.01 -1.26 -1.47 121.20 123.19 3jyv s ILE 110 Ca 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 60.65 60.48 3jyv s ILE 110 Cb 0.00 -3.01 0.00 0.00 0.01 0.00 0.00 42.46 39.46 3jyv s ILE 110 CO 0.00 0.35 0.00 1.15 0.00 0.00 0.00 174.94 176.44 3jyv n MET 111 N 4.78 0.00 -2.00 2.79 0.00 -1.17 -4.65 117.12 116.87 3jyv n MET 111 Ca -0.16 0.00 -0.29 0.00 0.00 0.00 0.00 57.70 57.25 3jyv n MET 111 Cb 0.51 0.00 0.06 0.00 0.00 0.00 0.00 33.22 33.80 3jyv n MET 111 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 175.97 176.31 3jyv s ASP 112 N -0.59 5.04 0.08 3.17 2.15 -1.26 -3.16 116.67 122.10 3jyv s ASP 112 Ca 0.00 0.86 -0.03 0.00 0.43 0.00 0.00 52.55 53.81 3jyv s ASP 112 Cb 0.00 -1.55 -0.28 0.00 -0.30 0.00 0.00 42.92 40.79 3jyv s ASP 112 CO 0.00 -1.55 1.15 1.12 -0.17 0.00 0.00 175.17 175.73 3jyv h HIS 113 N -0.73 0.45 0.00 -5.34 2.07 -1.83 -2.37 115.15 107.40 3jyv h HIS 113 Ca -0.45 -0.33 -0.18 0.00 -2.85 0.00 0.00 60.37 56.56 3jyv h HIS 113 Cb 1.29 -0.02 -0.03 0.00 2.57 0.00 0.00 27.41 31.22 3jyv h HIS 113 CO 0.41 1.26 -1.00 1.49 -3.07 0.00 0.00 177.93 177.01 3jyv h GLU 114 N 0.07 0.00 -0.19 5.12 4.57 -1.95 -2.88 114.58 119.31 3jyv h GLU 114 Ca -0.12 0.00 -0.09 0.00 -1.18 0.00 0.00 59.36 57.97 3jyv h GLU 114 Cb 1.95 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 30.53 3jyv h GLU 114 CO 0.20 0.68 -0.28 1.49 -1.18 0.00 0.00 179.01 179.92 3jyv h GLU 115 N 0.00 0.37 -0.02 1.92 4.81 -1.97 -2.82 114.58 116.86 3jyv h GLU 115 Ca -0.07 -0.14 -0.08 0.00 -0.13 0.00 0.00 59.36 58.94 3jyv h GLU 115 Cb 1.66 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 31.01 3jyv h GLU 115 CO 0.09 0.62 -0.38 0.00 -0.73 0.00 0.00 179.01 178.62 3jyv h ALA 116 N 1.38 1.33 0.00 2.92 0.00 -1.23 -2.12 119.26 121.53 3jyv h ALA 116 Ca 0.05 -0.36 -0.13 0.00 0.00 0.00 0.00 54.91 54.47 3jyv h ALA 116 Cb 0.67 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.37 3jyv h ALA 116 CO 0.05 0.50 -0.62 0.00 0.00 0.00 0.00 179.25 179.18 3jyv h ARG 117 N 0.04 0.00 -0.31 0.00 3.08 -1.32 -0.43 114.38 115.44 3jyv h ARG 117 Ca 0.00 0.00 -0.17 0.00 0.07 0.00 0.00 59.98 59.88 3jyv h ARG 117 Cb 0.69 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.74 3jyv h ARG 117 CO 0.05 0.62 -0.47 -0.09 -1.07 0.00 0.00 179.97 179.01 3jyv h ARG 118 N 0.00 0.87 0.00 0.04 2.43 -1.21 -3.03 114.38 113.48 3jyv h ARG 118 Ca -0.01 -0.51 -0.16 0.00 -0.81 0.00 0.00 59.98 58.49 3jyv h ARG 118 Cb 1.28 0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 30.85 3jyv h ARG 118 CO 0.08 1.15 -0.77 0.87 -1.51 0.00 0.00 179.97 179.80 3jyv h LYS 119 N 0.65 0.00 -3.15 0.20 1.79 -1.39 -3.48 116.57 111.19 3jyv h LYS 119 Ca 0.03 0.00 -0.07 0.00 -2.18 0.00 0.00 60.65 58.43 3jyv h LYS 119 Cb 1.07 0.00 0.04 0.00 -1.58 0.00 0.00 32.23 31.76 3jyv h LYS 119 CO 0.11 0.77 -0.20 0.72 -1.08 0.00 0.00 179.45 179.77 3jyv n HIS 120 N -3.57 -0.56 -4.44 -1.35 8.25 -0.31 -5.08 115.22 108.16 3jyv n HIS 120 Ca -0.00 0.22 -0.21 0.00 -0.26 0.00 0.00 57.72 57.47 3jyv n HIS 120 Cb 0.75 -2.81 -0.15 0.00 1.12 0.00 0.00 29.99 28.90 3jyv n HIS 120 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 3jyv s VAL 121 N -3.09 0.84 0.42 1.59 1.01 -0.41 -5.03 120.40 115.74 3jyv s VAL 121 Ca 0.04 -0.41 0.07 0.00 0.00 0.00 0.00 61.98 61.68 3jyv s VAL 121 Cb -0.01 -0.74 0.07 0.00 0.00 0.00 0.00 36.38 35.71 3jyv s VAL 121 CO 0.18 0.25 0.57 -1.54 0.00 0.00 0.00 175.10 174.57 3jyv n SER 122 N 3.15 1.55 0.00 3.32 3.41 -1.26 -4.65 113.62 119.14 3jyv n SER 122 Ca -0.17 -2.12 0.00 0.00 -0.26 0.00 0.00 58.87 56.32 3jyv n SER 122 Cb 0.55 -0.30 0.00 0.00 -0.26 0.00 0.00 64.21 64.20 3jyv n SER 122 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3jyv n GLY 123 N -0.10 -0.65 0.00 5.00 0.00 -1.20 -1.98 105.19 106.26 3jyv n GLY 123 Ca 0.11 -0.36 0.00 0.00 0.00 0.00 0.00 46.02 45.78 3jyv n GLY 123 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3jyv n LYS 124 N 0.00 2.22 -4.10 1.61 4.76 0.21 -1.66 118.16 121.20 3jyv n LYS 124 Ca 0.00 0.00 -0.10 0.00 -2.87 0.00 0.00 58.31 55.34 3jyv n LYS 124 Cb 0.00 0.00 -0.10 0.00 -1.84 0.00 0.00 35.03 33.09 3jyv n LYS 124 CO 0.00 0.00 0.00 0.96 -1.37 0.00 0.00 177.40 176.99 3jyv s ILE 125 N 0.38 0.46 0.06 -0.18 -4.36 -1.20 -1.97 121.20 114.38 3jyv s ILE 125 Ca 0.00 -1.57 -0.02 0.00 -0.26 0.00 0.00 60.65 58.80 3jyv s ILE 125 Cb 0.00 -1.20 -0.01 0.00 1.25 0.00 0.00 42.46 42.50 3jyv s ILE 125 CO 0.00 -0.74 -0.05 0.18 0.24 0.00 0.00 174.94 174.57 3jyv n LEU 126 N 0.57 1.16 -3.83 0.37 4.77 -1.07 -4.63 117.00 114.34 3jyv n LEU 126 Ca -0.17 0.16 -0.06 0.00 -0.03 0.00 0.00 56.01 55.91 3jyv n LEU 126 Cb 0.59 -0.38 0.01 0.00 -2.33 0.00 0.00 43.42 41.31 3jyv n LEU 126 CO 0.26 -0.68 0.65 -0.83 -1.33 0.00 0.00 177.39 175.47 3jyv s GLY 127 N -4.06 0.16 0.23 -0.72 0.00 -1.24 -0.82 107.32 100.87 3jyv s GLY 127 Ca -0.04 -0.45 0.11 0.00 0.00 0.00 0.00 44.72 44.34 3jyv s GLY 127 CO 0.06 0.75 -0.16 -0.11 0.00 0.00 0.00 173.10 173.64 3jyv s PHE 128 N -2.54 2.43 -0.01 1.90 -0.12 -0.45 -1.59 117.98 117.60 3jyv s PHE 128 Ca 0.17 -0.30 -0.00 0.00 -0.05 0.00 0.00 56.93 56.75 3jyv s PHE 128 Cb -0.04 -1.13 0.01 0.00 -0.63 0.00 0.00 43.02 41.24 3jyv s PHE 128 CO 0.08 0.60 0.02 0.08 -0.05 0.00 0.00 175.22 175.94 3jyv s VAL 129 N -2.06 -0.02 0.00 -2.49 1.01 -0.94 -2.58 120.40 113.31 3jyv s VAL 129 Ca 0.26 0.09 0.00 0.00 0.00 0.00 0.00 61.98 62.33 3jyv s VAL 129 Cb -0.07 -0.04 0.00 0.00 0.00 0.00 0.00 36.38 36.27 3jyv s VAL 129 CO 0.14 0.04 0.00 0.00 0.00 0.00 0.00 175.10 175.28