#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jny n PRO 5 N 0.00 1.69 -3.64 1.64 -0.02 -1.26 -4.60 135.00 128.82 1jny n PRO 5 Ca 0.00 0.59 -0.37 0.00 -2.02 0.00 0.00 63.50 61.71 1jny n PRO 5 Cb 0.00 -2.08 -0.10 0.00 -0.02 0.00 0.00 33.50 31.30 1jny n PRO 5 CO 0.00 0.00 0.00 -1.01 1.98 0.00 0.00 175.50 176.47 1jny s HIS 6 N -1.10 3.29 0.02 6.00 3.76 -1.26 -1.17 115.29 124.83 1jny s HIS 6 Ca 0.58 0.19 0.08 0.00 -0.15 0.00 0.00 55.06 55.76 1jny s HIS 6 Cb -0.63 -2.30 -0.02 0.00 1.11 0.00 0.00 32.58 30.74 1jny s HIS 6 CO 0.61 -0.00 -0.23 -0.51 -0.85 0.00 0.00 174.74 173.76 1jny s LEU 7 N 1.26 2.12 -0.13 0.89 1.43 0.78 -4.96 118.68 120.08 1jny s LEU 7 Ca 0.07 -0.50 -0.18 0.00 -1.03 0.00 0.00 54.13 52.49 1jny s LEU 7 Cb -0.14 -1.13 -0.04 0.00 0.03 0.00 0.00 46.19 44.90 1jny s LEU 7 CO 0.06 0.23 0.48 0.20 0.23 0.00 0.00 176.35 177.55 1jny s ASN 8 N -0.97 6.66 -0.07 2.29 0.01 -1.26 -0.79 114.94 120.81 1jny s ASN 8 Ca 0.09 0.79 0.02 0.00 -0.71 0.00 0.00 52.86 53.05 1jny s ASN 8 Cb -0.09 -2.28 -0.02 0.00 0.41 0.00 0.00 41.25 39.26 1jny s ASN 8 CO 0.01 -0.02 -0.13 -0.22 -1.51 0.00 0.00 177.10 175.23 1jny s LEU 9 N 0.75 2.80 -0.09 0.60 0.20 0.98 -0.60 118.68 123.33 1jny s LEU 9 Ca 0.25 -0.20 0.04 0.00 0.69 0.00 0.00 54.13 54.91 1jny s LEU 9 Cb -0.15 -1.59 0.00 0.00 -0.43 0.00 0.00 46.19 44.02 1jny s LEU 9 CO 0.10 0.31 -0.21 -0.51 -0.29 0.00 0.00 176.35 175.75 1jny s ILE 10 N -0.51 1.83 -0.31 6.68 2.07 -0.55 -0.76 121.20 129.65 1jny s ILE 10 Ca 0.07 -0.89 -0.08 0.00 -1.41 0.00 0.00 60.65 58.34 1jny s ILE 10 Cb -0.12 -1.59 0.01 0.00 0.13 0.00 0.00 42.46 40.89 1jny s ILE 10 CO 0.02 0.51 0.11 -0.69 -1.91 0.00 0.00 174.94 172.98 1jny s VAL 11 N 0.36 4.16 0.44 4.00 1.01 -1.26 -1.57 120.40 127.55 1jny s VAL 11 Ca -0.16 -0.70 0.06 0.00 0.00 0.00 0.00 61.98 61.18 1jny s VAL 11 Cb -0.17 -3.19 -0.03 0.00 0.00 0.00 0.00 36.38 32.99 1jny s VAL 11 CO 0.07 0.01 0.21 0.27 0.00 0.00 0.00 175.10 175.66 1jny s ILE 12 N 1.52 2.11 0.00 2.22 -4.36 0.10 -4.81 121.20 117.98 1jny s ILE 12 Ca 0.03 -1.67 0.00 0.00 -0.26 0.00 0.00 60.65 58.74 1jny s ILE 12 Cb -0.18 -2.78 0.00 0.00 1.25 0.00 0.00 42.46 40.75 1jny s ILE 12 CO 0.04 0.00 0.00 0.61 0.24 0.00 0.00 174.94 175.83 1jny n GLY 13 N -1.34 3.08 3.76 6.27 0.00 -1.26 0.09 105.19 115.78 1jny n GLY 13 Ca -0.03 -1.76 -0.34 0.00 0.00 0.00 0.00 46.02 43.89 1jny n GLY 13 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1jny s HIS 14 N -1.95 2.45 0.27 1.61 2.46 -1.26 -4.79 115.29 114.09 1jny s HIS 14 Ca 0.00 1.55 -0.30 0.00 0.47 0.00 0.00 55.06 56.78 1jny s HIS 14 Cb 0.00 -3.33 -0.13 0.00 -0.13 0.00 0.00 32.58 29.00 1jny s HIS 14 CO 0.00 -1.99 1.41 1.55 -2.47 0.00 0.00 174.74 173.24 1jny n VAL 15 N -2.10 1.21 -1.16 0.89 3.14 -1.26 -1.81 118.33 117.24 1jny n VAL 15 Ca 0.12 -0.30 -0.06 0.00 -2.96 0.00 0.00 64.34 61.14 1jny n VAL 15 Cb 0.51 -1.58 -0.02 0.00 -1.06 0.00 0.00 33.84 31.69 1jny n VAL 15 CO 0.00 0.00 0.00 0.47 -6.46 0.00 0.00 176.83 170.84 1jny n ASP 16 N 1.83 -4.76 0.10 6.55 8.00 -1.26 -4.87 116.55 122.14 1jny n ASP 16 Ca 0.09 0.14 0.13 0.00 0.71 0.00 0.00 54.79 55.86 1jny n ASP 16 Cb 0.33 -2.76 0.38 0.00 -0.02 0.00 0.00 41.12 39.06 1jny n ASP 16 CO 0.00 0.00 0.00 1.41 -0.39 0.00 0.00 177.20 178.22 1jny n HIS 17 N -2.48 0.90 0.00 1.24 8.25 -0.75 -4.92 115.22 117.46 1jny n HIS 17 Ca -0.06 0.26 0.00 0.00 -0.26 0.00 0.00 57.72 57.66 1jny n HIS 17 Cb 0.37 -0.91 0.00 0.00 1.12 0.00 0.00 29.99 30.56 1jny n HIS 17 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1jny n GLY 18 N 1.31 1.83 0.32 -1.41 0.00 -1.26 -4.41 105.19 101.57 1jny n GLY 18 Ca 0.05 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.90 1jny n GLY 18 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1jny h LYS 19 N 0.00 -0.75 -0.30 1.61 1.57 -1.91 -0.62 116.57 116.17 1jny h LYS 19 Ca 0.00 0.05 -0.04 0.00 -1.87 0.00 0.00 60.65 58.80 1jny h LYS 19 Cb 0.00 0.17 -0.02 0.00 0.08 0.00 0.00 32.23 32.46 1jny h LYS 19 CO 0.00 -0.50 0.03 0.66 -0.57 0.00 0.00 179.45 179.08 1jny h SER 20 N -0.77 0.41 -0.22 0.86 4.64 -1.97 -0.26 113.55 116.25 1jny h SER 20 Ca -0.08 -0.06 -0.04 0.00 -0.47 0.00 0.00 61.79 61.14 1jny h SER 20 Cb 0.59 -0.11 -0.01 0.00 -0.31 0.00 0.00 62.40 62.57 1jny h SER 20 CO 0.13 0.45 -0.03 0.74 -0.87 0.00 0.00 176.83 177.25 1jny h THR 21 N 0.44 1.27 -0.13 2.95 2.02 -1.92 0.12 112.91 117.65 1jny h THR 21 Ca 0.10 -0.97 -0.00 0.00 0.77 0.00 0.00 66.41 66.30 1jny h THR 21 Cb 0.24 1.48 -0.01 0.00 -1.74 0.00 0.00 68.15 68.12 1jny h THR 21 CO 0.00 0.30 0.07 0.25 0.37 0.00 0.00 175.52 176.51 1jny h LEU 22 N 0.14 0.17 -0.17 2.58 5.85 -0.71 0.15 115.31 123.31 1jny h LEU 22 Ca 0.06 -0.10 0.05 0.00 0.84 0.00 0.00 57.88 58.72 1jny h LEU 22 Cb 0.46 -0.04 -0.05 0.00 0.37 0.00 0.00 40.66 41.40 1jny h LEU 22 CO 0.02 0.22 -0.14 0.58 -0.34 0.00 0.00 178.44 178.78 1jny h VAL 23 N 0.10 0.61 -0.61 1.05 2.07 -1.01 -0.00 116.25 118.46 1jny h VAL 23 Ca 0.05 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.57 1jny h VAL 23 Cb 0.09 0.61 -0.03 0.00 -1.52 0.00 0.00 31.29 30.45 1jny h VAL 23 CO -0.01 0.00 0.38 1.23 0.02 0.00 0.00 177.57 179.19 1jny h GLY 24 N -0.14 0.87 0.91 2.17 0.00 -0.45 -1.23 103.07 105.20 1jny h GLY 24 Ca 0.11 -0.34 -0.05 0.00 0.00 0.00 0.00 47.33 47.04 1jny h GLY 24 CO -0.26 0.34 0.01 -0.09 0.00 0.00 0.00 176.54 176.54 1jny h ARG 25 N 0.84 0.61 -0.81 4.80 9.65 0.10 -0.73 114.38 128.84 1jny h ARG 25 Ca 0.22 -0.19 -0.05 0.00 -1.10 0.00 0.00 59.98 58.87 1jny h ARG 25 Cb -0.05 -0.06 -0.04 0.00 -1.39 0.00 0.00 29.97 28.43 1jny h ARG 25 CO -0.04 0.72 0.33 -0.07 2.80 0.00 0.00 179.97 183.70 1jny h LEU 26 N 0.43 1.11 -0.38 3.80 3.38 -0.56 -0.86 115.31 122.23 1jny h LEU 26 Ca 0.10 -0.17 -0.16 0.00 0.09 0.00 0.00 57.88 57.74 1jny h LEU 26 Cb 0.43 -0.29 -0.01 0.00 0.09 0.00 0.00 40.66 40.89 1jny h LEU 26 CO 0.02 0.98 -0.41 -0.07 0.09 0.00 0.00 178.44 179.05 1jny h LEU 27 N 1.17 1.01 -0.38 1.67 3.38 -1.09 0.12 115.31 121.19 1jny h LEU 27 Ca 0.27 -0.47 -0.11 0.00 0.09 0.00 0.00 57.88 57.65 1jny h LEU 27 Cb 0.21 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.67 1jny h LEU 27 CO -0.02 1.28 -0.19 -0.03 0.09 0.00 0.00 178.44 179.56 1jny h MET 28 N 0.76 0.81 0.00 1.13 4.05 -0.95 0.12 114.93 120.85 1jny h MET 28 Ca 0.06 -0.36 -0.23 0.00 -0.28 0.00 0.00 59.70 58.89 1jny h MET 28 Cb 1.01 -0.02 -0.03 0.00 -0.80 0.00 0.00 31.60 31.75 1jny h MET 28 CO 0.10 0.99 -1.13 -0.44 0.23 0.00 0.00 176.91 176.65 1jny h ASP 29 N 0.61 0.01 0.00 1.39 3.32 -1.14 -3.40 116.42 117.20 1jny h ASP 29 Ca 0.08 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.13 1jny h ASP 29 Cb 0.75 -0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.29 1jny h ASP 29 CO 0.06 1.01 0.00 0.54 -1.72 0.00 0.00 179.24 179.12 1jny n ARG 30 N -3.30 -0.11 0.00 3.56 5.12 0.42 -5.05 116.66 117.30 1jny n ARG 30 Ca -0.03 -0.35 0.00 0.00 -1.93 0.00 0.00 57.85 55.54 1jny n ARG 30 Cb 0.96 -0.72 0.00 0.00 -1.16 0.00 0.00 32.46 31.54 1jny n ARG 30 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1jny n GLY 31 N -0.04 1.02 2.27 -0.13 0.00 0.41 -0.41 105.19 108.31 1jny n GLY 31 Ca 0.00 -1.80 -0.21 0.00 0.00 0.00 0.00 46.02 44.01 1jny n GLY 31 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1jny n PHE 32 N 0.00 0.56 -2.63 1.61 3.72 -1.22 -4.86 117.46 114.64 1jny n PHE 32 Ca 0.00 -3.77 -0.41 0.00 -0.05 0.00 0.00 57.45 53.22 1jny n PHE 32 Cb 0.00 -0.41 -0.05 0.00 -0.94 0.00 0.00 39.48 38.08 1jny n PHE 32 CO 0.00 0.00 0.00 0.42 -0.05 0.00 0.00 176.76 177.13 1jny s ILE 33 N -2.22 3.98 0.50 4.37 1.09 -1.26 -4.98 121.20 122.68 1jny s ILE 33 Ca 0.39 1.84 -0.23 0.00 -1.10 0.00 0.00 60.65 61.56 1jny s ILE 33 Cb 0.27 -4.17 -0.07 0.00 -1.06 0.00 0.00 42.46 37.43 1jny s ILE 33 CO -0.09 0.38 1.28 -0.90 -0.10 0.00 0.00 174.94 175.50 1jny n ASP 34 N 1.92 2.41 -0.17 3.58 5.75 -1.26 -4.76 116.55 124.02 1jny n ASP 34 Ca 0.00 1.01 0.09 0.00 -0.01 0.00 0.00 54.79 55.88 1jny n ASP 34 Cb 0.47 -1.52 0.40 0.00 -1.03 0.00 0.00 41.12 39.43 1jny n ASP 34 CO 0.00 0.00 0.00 -0.33 -0.11 0.00 0.00 177.20 176.76 1jny h GLU 35 N 1.59 0.63 0.10 0.11 5.08 -1.98 0.22 114.58 120.34 1jny h GLU 35 Ca -0.49 -0.04 0.01 0.00 -1.00 0.00 0.00 59.36 57.84 1jny h GLU 35 Cb 1.31 -0.14 -0.03 0.00 0.50 0.00 0.00 28.75 30.39 1jny h GLU 35 CO 0.57 0.41 -0.19 -0.22 -1.00 0.00 0.00 179.01 178.59 1jny h LYS 36 N 0.65 -0.35 -0.41 2.33 3.11 -1.99 0.18 116.57 120.09 1jny h LYS 36 Ca 0.33 0.02 -0.10 0.00 -2.81 0.00 0.00 60.65 58.09 1jny h LYS 36 Cb 0.43 0.08 -0.01 0.00 -1.00 0.00 0.00 32.23 31.72 1jny h LYS 36 CO -0.11 -0.23 -0.15 1.15 -2.81 0.00 0.00 179.45 177.30 1jny h THR 37 N -0.36 1.28 0.27 1.00 2.02 -1.76 -1.65 112.91 113.70 1jny h THR 37 Ca 0.03 -1.27 -0.01 0.00 0.77 0.00 0.00 66.41 65.92 1jny h THR 37 Cb 0.38 1.24 0.00 0.00 -1.74 0.00 0.00 68.15 68.03 1jny h THR 37 CO -0.11 0.43 -0.13 0.58 0.37 0.00 0.00 175.52 176.66 1jny h VAL 38 N 0.64 0.75 -0.86 3.16 2.07 -0.86 -0.56 116.25 120.60 1jny h VAL 38 Ca 0.10 -0.08 0.04 0.00 0.82 0.00 0.00 66.70 67.58 1jny h VAL 38 Cb 0.69 0.80 -0.05 0.00 -1.52 0.00 0.00 31.29 31.21 1jny h VAL 38 CO 0.05 0.02 0.55 0.11 0.02 0.00 0.00 177.57 178.32 1jny h LYS 39 N -0.40 1.02 -0.17 1.57 6.56 -0.64 0.73 116.57 125.24 1jny h LYS 39 Ca -0.04 -0.06 -0.05 0.00 -1.06 0.00 0.00 60.65 59.44 1jny h LYS 39 Cb 0.30 -0.23 -0.01 0.00 -0.57 0.00 0.00 32.23 31.72 1jny h LYS 39 CO 0.06 0.67 -0.11 0.93 -2.06 0.00 0.00 179.45 178.94 1jny h GLU 40 N 1.05 0.27 -0.11 3.15 5.08 -1.10 0.11 114.58 123.03 1jny h GLU 40 Ca 0.35 -0.06 -0.09 0.00 -1.00 0.00 0.00 59.36 58.56 1jny h GLU 40 Cb 0.04 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.26 1jny h GLU 40 CO -0.13 0.39 -0.29 0.00 -1.00 0.00 0.00 179.01 177.98 1jny h ALA 41 N 1.64 0.18 -0.13 3.43 0.00 0.53 -1.40 119.26 123.50 1jny h ALA 41 Ca 0.05 -0.42 -0.06 0.00 0.00 0.00 0.00 54.91 54.49 1jny h ALA 41 Cb 0.36 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 1jny h ALA 41 CO 0.02 0.20 -0.18 0.93 0.00 0.00 0.00 179.25 180.22 1jny h GLU 42 N -0.05 0.22 -0.13 0.00 5.08 -0.64 -0.84 114.58 118.21 1jny h GLU 42 Ca -0.01 -0.06 -0.03 0.00 -1.00 0.00 0.00 59.36 58.27 1jny h GLU 42 Cb 0.90 -0.03 -0.00 0.00 0.50 0.00 0.00 28.75 30.12 1jny h GLU 42 CO 0.06 0.40 -0.04 1.49 -1.00 0.00 0.00 179.01 179.92 1jny h GLU 43 N 0.20 0.26 -0.99 2.33 4.81 -0.74 -2.16 114.58 118.29 1jny h GLU 43 Ca 0.04 -0.11 0.03 0.00 -0.13 0.00 0.00 59.36 59.19 1jny h GLU 43 Cb 0.44 -0.01 -0.05 0.00 0.63 0.00 0.00 28.75 29.75 1jny h GLU 43 CO 0.03 0.57 0.65 0.00 -0.73 0.00 0.00 179.01 179.53 1jny h ALA 44 N 0.68 1.33 -0.53 2.92 0.00 -0.79 -1.79 119.26 121.09 1jny h ALA 44 Ca 0.03 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 54.88 1jny h ALA 44 Cb 0.48 -0.37 -0.03 0.00 0.00 0.00 0.00 17.79 17.87 1jny h ALA 44 CO 0.02 0.59 0.32 0.00 0.00 0.00 0.00 179.25 180.18 1jny h ALA 45 N 1.41 0.67 0.49 0.00 0.00 -0.98 -2.09 119.26 118.77 1jny h ALA 45 Ca 0.38 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 55.21 1jny h ALA 45 Cb -0.06 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.50 1jny h ALA 45 CO -0.10 0.16 -0.38 0.87 0.00 0.00 0.00 179.25 179.80 1jny h LYS 46 N 0.71 -0.82 -0.90 0.00 1.57 -0.70 0.79 116.57 117.22 1jny h LYS 46 Ca 0.19 0.06 0.19 0.00 -1.87 0.00 0.00 60.65 59.22 1jny h LYS 46 Cb -0.02 0.19 -0.11 0.00 0.08 0.00 0.00 32.23 32.37 1jny h LYS 46 CO -0.04 -0.55 0.46 0.87 -0.57 0.00 0.00 179.45 179.62 1jny h LYS 47 N -0.85 0.53 0.00 3.15 1.57 -1.22 0.87 116.57 120.62 1jny h LYS 47 Ca -0.05 -0.03 -0.05 0.00 -1.87 0.00 0.00 60.65 58.65 1jny h LYS 47 Cb 0.72 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 32.91 1jny h LYS 47 CO 0.01 0.35 -0.51 -0.07 -0.57 0.00 0.00 179.45 178.66 1jny h LEU 48 N 0.54 0.00 -0.38 2.94 3.38 -1.04 -3.48 115.31 117.27 1jny h LEU 48 Ca 0.54 0.00 -0.20 0.00 0.09 0.00 0.00 57.88 58.31 1jny h LEU 48 Cb 0.91 0.00 0.05 0.00 0.09 0.00 0.00 40.66 41.72 1jny h LEU 48 CO -0.45 0.20 -0.32 0.61 0.09 0.00 0.00 178.44 178.57 1jny n GLY 49 N 1.18 0.15 2.81 0.83 0.00 0.27 -5.03 105.19 105.40 1jny n GLY 49 Ca 0.01 -0.27 -0.17 0.00 0.00 0.00 0.00 46.02 45.59 1jny n GLY 49 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1jny s LYS 50 N -5.40 0.01 0.24 1.61 2.20 -0.83 -5.03 119.74 112.55 1jny s LYS 50 Ca 0.23 0.53 -0.05 0.00 -0.36 0.00 0.00 55.97 56.31 1jny s LYS 50 Cb -0.10 -0.31 0.33 0.00 -1.51 0.00 0.00 37.83 36.23 1jny s LYS 50 CO 0.28 -0.31 1.86 1.49 -0.36 0.00 0.00 175.35 178.32 1jny h GLU 51 N 8.36 1.01 0.00 4.03 4.57 -1.96 -1.90 114.58 128.69 1jny h GLU 51 Ca -0.13 -0.06 0.00 0.00 -1.18 0.00 0.00 59.36 57.99 1jny h GLU 51 Cb 1.12 -0.23 0.00 0.00 -0.16 0.00 0.00 28.75 29.48 1jny h GLU 51 CO 0.15 0.67 0.00 0.66 -1.18 0.00 0.00 179.01 179.31 1jny h SER 52 N 1.04 0.00 0.24 1.04 4.64 -1.96 -1.97 113.55 116.57 1jny h SER 52 Ca 0.38 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.67 1jny h SER 52 Cb 0.13 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.21 1jny h SER 52 CO -0.16 0.00 -0.14 -0.08 -0.87 0.00 0.00 176.83 175.58 1jny h GLU 53 N 0.00 0.00 -0.21 4.77 4.57 -1.71 -1.15 114.58 120.85 1jny h GLU 53 Ca 0.00 0.00 -0.01 0.00 -1.18 0.00 0.00 59.36 58.17 1jny h GLU 53 Cb 0.01 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 28.59 1jny h GLU 53 CO 0.00 0.14 0.11 0.87 -1.18 0.00 0.00 179.01 178.95 1jny h LYS 54 N 0.00 0.30 -0.37 1.92 1.57 -1.53 0.70 116.57 119.17 1jny h LYS 54 Ca -0.00 -0.04 -0.04 0.00 -1.87 0.00 0.00 60.65 58.70 1jny h LYS 54 Cb 0.29 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.53 1jny h LYS 54 CO 0.02 0.29 0.06 0.35 -0.57 0.00 0.00 179.45 179.60 1jny h PHE 55 N 0.23 0.64 -0.81 -1.35 3.57 -1.59 -0.48 116.94 117.15 1jny h PHE 55 Ca 0.07 -0.09 0.00 0.00 3.53 0.00 0.00 57.97 61.49 1jny h PHE 55 Cb 0.08 -0.18 -0.04 0.00 2.79 0.00 0.00 35.95 38.61 1jny h PHE 55 CO -0.03 0.65 0.51 0.00 -2.23 0.00 0.00 178.31 177.21 1jny h ALA 56 N 0.91 1.38 0.01 2.41 0.00 -1.06 0.56 119.26 123.47 1jny h ALA 56 Ca 0.11 -0.07 -0.00 0.00 0.00 0.00 0.00 54.91 54.95 1jny h ALA 56 Cb 0.35 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 17.81 1jny h ALA 56 CO 0.01 0.55 -0.00 0.35 0.00 0.00 0.00 179.25 180.16 1jny h PHE 57 N 1.11 -0.01 -0.66 0.00 3.04 -0.54 -3.02 116.94 116.85 1jny h PHE 57 Ca 0.29 -0.00 0.04 0.00 3.98 0.00 0.00 57.97 62.29 1jny h PHE 57 Cb -0.09 0.00 -0.05 0.00 2.56 0.00 0.00 35.95 38.38 1jny h PHE 57 CO 0.00 0.37 0.39 -0.07 -2.02 0.00 0.00 178.31 176.99 1jny h LEU 58 N -0.39 0.61 -0.72 0.59 3.38 -0.75 -1.91 115.31 116.12 1jny h LEU 58 Ca -0.00 0.02 0.10 0.00 0.09 0.00 0.00 57.88 58.08 1jny h LEU 58 Cb 0.39 -0.11 -0.07 0.00 0.09 0.00 0.00 40.66 40.95 1jny h LEU 58 CO 0.00 0.41 0.36 -0.07 0.09 0.00 0.00 178.44 179.23 1jny h LEU 59 N 0.74 0.46 -0.60 1.67 3.38 -0.89 0.20 115.31 120.27 1jny h LEU 59 Ca 0.28 0.06 -0.12 0.00 0.09 0.00 0.00 57.88 58.19 1jny h LEU 59 Cb 0.10 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 40.82 1jny h LEU 59 CO -0.14 0.26 -0.20 0.44 0.09 0.00 0.00 178.44 178.89 1jny h ASP 60 N 0.60 0.91 -0.43 -0.43 3.32 -1.30 0.45 116.42 119.55 1jny h ASP 60 Ca 0.36 -0.33 -0.07 0.00 0.02 0.00 0.00 57.03 57.01 1jny h ASP 60 Cb 0.38 -0.25 -0.02 0.00 0.22 0.00 0.00 39.33 39.66 1jny h ASP 60 CO -0.27 1.08 0.03 0.03 -1.72 0.00 0.00 179.24 178.39 1jny h ARG 61 N 0.79 0.82 -0.34 3.56 2.47 -0.54 0.47 114.38 121.60 1jny h ARG 61 Ca 0.11 -0.21 -0.07 0.00 -1.26 0.00 0.00 59.98 58.55 1jny h ARG 61 Cb 0.74 -0.10 -0.01 0.00 -1.65 0.00 0.00 29.97 28.95 1jny h ARG 61 CO 0.06 0.80 -0.06 -0.07 0.56 0.00 0.00 179.97 181.26 1jny h LEU 62 N 0.77 0.65 -0.80 3.04 3.38 -0.39 -1.08 115.31 120.87 1jny h LEU 62 Ca 0.15 -0.35 -0.02 0.00 0.09 0.00 0.00 57.88 57.75 1jny h LEU 62 Cb 0.42 -0.18 -0.04 0.00 0.09 0.00 0.00 40.66 40.96 1jny h LEU 62 CO 0.02 0.85 0.41 0.50 0.09 0.00 0.00 178.44 180.30 1jny h LYS 63 N 0.44 1.13 -0.13 1.13 3.64 -0.42 -1.40 116.57 120.96 1jny h LYS 63 Ca 0.09 -0.15 -0.07 0.00 -1.27 0.00 0.00 60.65 59.25 1jny h LYS 63 Cb 0.55 -0.21 -0.01 0.00 -0.41 0.00 0.00 32.23 32.15 1jny h LYS 63 CO 0.03 0.85 -0.25 0.93 -2.27 0.00 0.00 179.45 178.74 1jny h GLU 64 N 1.12 0.23 0.00 1.90 5.08 -0.78 -3.51 114.58 118.62 1jny h GLU 64 Ca 0.28 -0.08 0.00 0.00 -1.00 0.00 0.00 59.36 58.56 1jny h GLU 64 Cb 0.07 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.30 1jny h GLU 64 CO -0.04 0.48 0.00 -1.91 -1.00 0.00 0.00 179.01 176.54 1jny n GLU 65 N -4.16 0.00 0.00 2.33 4.07 -0.42 -5.09 120.64 117.36 1jny n GLU 65 Ca -0.01 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.09 1jny n GLU 65 Cb 0.36 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 31.74 1jny n GLU 65 CO 0.00 0.00 0.00 -1.33 -0.06 0.00 0.00 177.13 175.74 1jny n MET 77 N 0.00 0.00 -4.55 5.31 2.81 -1.26 -5.08 117.12 114.35 1jny n MET 77 Ca 0.00 0.00 -0.24 0.00 -1.81 0.00 0.00 57.70 55.65 1jny n MET 77 Cb 0.00 0.00 -0.14 0.00 -0.71 0.00 0.00 33.22 32.37 1jny n MET 77 CO 0.00 0.00 0.00 1.03 1.51 0.00 0.00 175.97 178.51 1jny s ARG 78 N 0.00 1.23 0.12 0.03 0.52 -1.26 -0.97 118.95 118.61 1jny s ARG 78 Ca 0.00 -0.85 -0.03 0.00 -0.52 0.00 0.00 55.73 54.33 1jny s ARG 78 Cb 0.00 -1.29 -0.03 0.00 0.52 0.00 0.00 34.95 34.14 1jny s ARG 78 CO 0.00 0.33 0.09 -0.59 0.02 0.00 0.00 175.30 175.15 1jny s PHE 79 N -0.79 0.66 -0.04 -0.53 -0.71 0.09 -3.45 117.98 113.21 1jny s PHE 79 Ca 0.05 -1.07 0.04 0.00 -1.04 0.00 0.00 56.93 54.91 1jny s PHE 79 Cb -0.08 -0.36 -0.00 0.00 -1.21 0.00 0.00 43.02 41.37 1jny s PHE 79 CO 0.01 -0.53 -0.16 -2.00 -1.34 0.00 0.00 175.22 171.20 1jny s GLU 80 N -3.99 1.73 0.08 1.99 2.12 0.45 0.04 118.70 121.12 1jny s GLU 80 Ca 0.18 -0.58 0.00 0.00 0.36 0.00 0.00 54.97 54.93 1jny s GLU 80 Cb 0.07 -1.50 0.00 0.00 0.26 0.00 0.00 34.13 32.96 1jny s GLU 80 CO -0.02 0.23 0.04 0.25 -0.54 0.00 0.00 175.26 175.21 1jny n THR 81 N 3.18 0.00 -0.12 -1.70 -2.24 -0.11 -4.80 114.28 108.48 1jny n THR 81 Ca -0.18 -0.36 -0.06 0.00 -2.27 0.00 0.00 64.05 61.18 1jny n THR 81 Cb 0.53 -0.22 0.02 0.00 -2.10 0.00 0.00 70.33 68.57 1jny n THR 81 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 1jny h LYS 82 N 0.00 0.33 0.00 -0.78 6.56 -1.98 -3.32 116.57 117.38 1jny h LYS 82 Ca -0.06 -0.02 0.00 0.00 -1.06 0.00 0.00 60.65 59.51 1jny h LYS 82 Cb 0.20 -0.08 0.00 0.00 -0.57 0.00 0.00 32.23 31.78 1jny h LYS 82 CO 0.10 0.22 -1.69 1.63 -2.06 0.00 0.00 179.45 177.65 1jny n LYS 83 N -4.97 0.64 -4.28 3.15 5.02 -1.26 -5.05 118.16 111.41 1jny n LYS 83 Ca 0.02 -0.14 -0.15 0.00 -2.02 0.00 0.00 58.31 56.02 1jny n LYS 83 Cb 0.12 -1.43 -0.10 0.00 -0.02 0.00 0.00 35.03 33.60 1jny n LYS 83 CO 0.00 0.00 0.00 0.71 -0.52 0.00 0.00 177.40 177.59 1jny s TYR 84 N -3.19 1.41 -0.16 2.13 2.02 -1.25 -3.98 117.35 114.33 1jny s TYR 84 Ca -0.05 -1.27 0.01 0.00 -0.37 0.00 0.00 57.07 55.39 1jny s TYR 84 Cb 0.12 -0.77 0.00 0.00 -0.40 0.00 0.00 41.96 40.91 1jny s TYR 84 CO 0.77 -0.46 -0.17 -0.06 -1.57 0.00 0.00 175.55 174.05 1jny s PHE 85 N -3.89 2.76 -0.06 2.71 0.08 -0.32 -0.94 117.98 118.32 1jny s PHE 85 Ca 0.38 -1.18 0.03 0.00 0.12 0.00 0.00 56.93 56.27 1jny s PHE 85 Cb 0.07 -1.88 -0.03 0.00 -0.57 0.00 0.00 43.02 40.61 1jny s PHE 85 CO 0.13 -0.55 -0.12 -0.06 -0.10 0.00 0.00 175.22 174.52 1jny s PHE 86 N 0.90 2.77 -0.20 0.36 0.08 0.11 -0.15 117.98 121.84 1jny s PHE 86 Ca -0.04 -0.16 0.01 0.00 0.12 0.00 0.00 56.93 56.86 1jny s PHE 86 Cb -0.15 -1.67 0.02 0.00 -0.57 0.00 0.00 43.02 40.65 1jny s PHE 86 CO -0.02 0.19 -0.16 0.99 -0.10 0.00 0.00 175.22 176.12 1jny s THR 87 N -0.64 2.28 -0.31 0.64 2.01 0.03 -0.73 115.64 118.92 1jny s THR 87 Ca 0.10 -1.03 -0.28 0.00 0.31 0.00 0.00 61.69 60.79 1jny s THR 87 Cb -0.11 -2.05 0.01 0.00 0.01 0.00 0.00 72.50 70.36 1jny s THR 87 CO 0.01 0.40 1.03 -0.63 -0.69 0.00 0.00 174.62 174.74 1jny s ILE 88 N 1.28 4.57 0.56 1.82 1.01 -0.15 -0.01 121.20 130.28 1jny s ILE 88 Ca 0.02 1.70 0.08 0.00 0.00 0.00 0.00 60.65 62.45 1jny s ILE 88 Cb -0.15 -4.36 0.07 0.00 0.01 0.00 0.00 42.46 38.03 1jny s ILE 88 CO -0.10 -0.41 0.65 0.27 0.00 0.00 0.00 174.94 175.35 1jny s ILE 89 N 3.49 1.99 0.10 2.92 -4.36 0.06 -4.92 121.20 120.48 1jny s ILE 89 Ca 0.43 -1.18 -0.31 0.00 -0.26 0.00 0.00 60.65 59.34 1jny s ILE 89 Cb -0.13 -2.17 -0.10 0.00 1.25 0.00 0.00 42.46 41.32 1jny s ILE 89 CO 0.14 0.00 1.81 -1.81 0.24 0.00 0.00 174.94 175.31 1jny s ASP 90 N -4.52 6.47 0.53 4.36 1.11 -1.26 -4.67 116.67 118.69 1jny s ASP 90 Ca 0.52 2.68 -0.03 0.00 0.18 0.00 0.00 52.55 55.89 1jny s ASP 90 Cb -0.05 -2.56 0.00 0.00 1.07 0.00 0.00 42.92 41.39 1jny s ASP 90 CO 0.33 -0.98 0.80 0.00 1.18 0.00 0.00 175.17 176.49 1jny s ALA 91 N 2.98 3.52 1.09 5.23 0.00 -1.26 -4.98 121.76 128.33 1jny s ALA 91 Ca 0.80 -0.87 -0.16 0.00 0.00 0.00 0.00 51.96 51.73 1jny s ALA 91 Cb -0.44 -2.39 0.12 0.00 0.00 0.00 0.00 23.12 20.42 1jny s ALA 91 CO 0.36 -0.61 0.31 -0.35 0.00 0.00 0.00 175.76 175.47 1jny n PRO 92 N -2.35 -1.42 -0.69 0.00 -0.04 -1.26 -3.66 135.00 125.56 1jny n PRO 92 Ca 0.03 -0.39 0.00 0.00 -0.04 0.00 0.00 63.50 63.10 1jny n PRO 92 Cb 0.58 -1.84 0.00 0.00 -0.04 0.00 0.00 33.50 32.19 1jny n PRO 92 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1jny n GLY 93 N 1.66 0.64 3.49 0.55 0.00 0.19 -4.96 105.19 106.76 1jny n GLY 93 Ca 0.03 -0.12 -0.25 0.00 0.00 0.00 0.00 46.02 45.68 1jny n GLY 93 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1jny s HIS 94 N -2.00 2.39 0.19 1.61 3.76 -1.19 -4.99 115.29 115.05 1jny s HIS 94 Ca 0.00 -0.31 -0.31 0.00 -0.15 0.00 0.00 55.06 54.29 1jny s HIS 94 Cb 0.00 -1.09 -0.10 0.00 1.11 0.00 0.00 32.58 32.50 1jny s HIS 94 CO 0.00 0.62 1.53 0.50 -0.85 0.00 0.00 174.74 176.54 1jny s ARG 95 N -3.23 4.23 -0.41 1.40 3.52 -1.26 -2.61 118.95 120.59 1jny s ARG 95 Ca 0.27 2.34 0.00 0.00 -0.13 0.00 0.00 55.73 58.22 1jny s ARG 95 Cb -0.06 -3.14 0.00 0.00 -1.56 0.00 0.00 34.95 30.19 1jny s ARG 95 CO 0.14 -0.55 0.00 -0.25 -0.81 0.00 0.00 175.30 173.83 1jny n ASP 96 N 3.47 -4.46 -0.00 -2.12 8.00 -1.26 -4.94 116.55 115.24 1jny n ASP 96 Ca 0.12 0.10 -0.12 0.00 0.71 0.00 0.00 54.79 55.59 1jny n ASP 96 Cb 0.39 -2.30 -0.06 0.00 -0.02 0.00 0.00 41.12 39.13 1jny n ASP 96 CO 0.00 0.00 0.00 0.15 -0.39 0.00 0.00 177.20 176.96 1jny h PHE 97 N 0.00 -1.17 -0.17 1.24 3.57 -1.40 0.72 116.94 119.73 1jny h PHE 97 Ca -0.08 0.05 -0.05 0.00 3.53 0.00 0.00 57.97 61.42 1jny h PHE 97 Cb 0.58 0.53 -0.00 0.00 2.79 0.00 0.00 35.95 39.85 1jny h PHE 97 CO 0.32 -0.47 -0.09 0.28 -2.23 0.00 0.00 178.31 176.12 1jny h VAL 98 N -0.48 1.31 -0.24 1.41 2.07 -1.71 -3.15 116.25 115.47 1jny h VAL 98 Ca 0.08 -1.14 0.06 0.00 0.82 0.00 0.00 66.70 66.52 1jny h VAL 98 Cb 0.62 1.70 -0.07 0.00 -1.52 0.00 0.00 31.29 32.02 1jny h VAL 98 CO -0.40 0.34 -0.27 0.50 0.02 0.00 0.00 177.57 177.76 1jny h LYS 99 N 0.04 -0.27 0.00 1.57 3.64 -1.71 -0.08 116.57 119.76 1jny h LYS 99 Ca 0.04 0.02 -0.00 0.00 -1.27 0.00 0.00 60.65 59.43 1jny h LYS 99 Cb 0.57 0.06 -0.00 0.00 -0.41 0.00 0.00 32.23 32.45 1jny h LYS 99 CO 0.03 -0.18 -0.01 -0.91 -2.27 0.00 0.00 179.45 176.10 1jny h ASN 100 N -0.28 0.00 0.30 4.20 -0.26 -0.92 0.11 115.58 118.72 1jny h ASN 100 Ca 0.13 0.00 -0.33 0.00 -0.56 0.00 0.00 56.30 55.54 1jny h ASN 100 Cb 0.49 0.00 0.04 0.00 -1.06 0.00 0.00 38.32 37.79 1jny h ASN 100 CO -0.40 0.01 -1.46 0.24 -1.06 0.00 0.00 177.43 174.76 1jny h MET 101 N 0.00 0.52 -0.48 0.81 2.86 -1.19 0.25 114.93 117.71 1jny h MET 101 Ca -0.00 -0.89 -0.02 0.00 -2.06 0.00 0.00 59.70 56.73 1jny h MET 101 Cb 0.03 0.33 -0.02 0.00 0.06 0.00 0.00 31.60 32.00 1jny h MET 101 CO 0.00 1.43 0.21 0.82 1.06 0.00 0.00 176.91 180.43 1jny h ILE 102 N 0.14 1.20 0.00 -1.22 2.04 0.13 -2.84 117.51 116.96 1jny h ILE 102 Ca -0.25 -0.59 0.00 0.00 1.00 0.00 0.00 64.86 65.02 1jny h ILE 102 Cb 2.15 0.70 0.00 0.00 -0.74 0.00 0.00 36.82 38.93 1jny h ILE 102 CO 0.27 0.23 0.00 0.71 0.00 0.00 0.00 178.15 179.36 1jny h THR 103 N 0.63 0.00 0.00 -0.27 1.35 -0.93 -3.43 112.91 110.27 1jny h THR 103 Ca 0.16 -0.70 0.00 0.00 -0.55 0.00 0.00 66.41 65.32 1jny h THR 103 Cb 0.16 1.68 0.00 0.00 -1.73 0.00 0.00 68.15 68.26 1jny h THR 103 CO -0.02 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.86 1jny n GLY 104 N 1.00 0.75 0.24 5.82 0.00 -0.72 -4.94 105.19 107.35 1jny n GLY 104 Ca 0.04 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.17 1jny n GLY 104 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jny h ALA 105 N 0.00 1.22 -1.28 4.61 0.00 -0.83 -3.41 119.26 119.58 1jny h ALA 105 Ca 0.00 -0.17 0.08 0.00 0.00 0.00 0.00 54.91 54.82 1jny h ALA 105 Cb 0.00 -0.03 -0.21 0.00 0.00 0.00 0.00 17.79 17.55 1jny h ALA 105 CO 0.00 0.23 -0.24 -1.54 0.00 0.00 0.00 179.25 177.70 1jny s SER 106 N -6.28 -1.29 0.01 0.00 1.04 -0.55 -5.01 113.70 101.62 1jny s SER 106 Ca -0.02 1.04 0.07 0.00 0.48 0.00 0.00 55.95 57.52 1jny s SER 106 Cb 0.13 2.18 -0.03 0.00 0.10 0.00 0.00 66.02 68.39 1jny s SER 106 CO 0.62 -0.25 -0.22 -1.58 0.98 0.00 0.00 173.24 172.79 1jny s GLN 107 N 2.86 2.09 -0.17 4.02 2.00 -1.26 -3.71 119.66 125.50 1jny s GLN 107 Ca 0.14 -0.95 -0.18 0.00 -2.00 0.00 0.00 55.36 52.37 1jny s GLN 107 Cb -0.14 -2.12 -0.04 0.00 0.80 0.00 0.00 33.01 31.51 1jny s GLN 107 CO -0.20 0.56 0.49 0.00 -0.50 0.00 0.00 175.29 175.63 1jny s ALA 108 N -0.76 3.52 -0.05 1.58 0.00 -1.26 -4.68 121.76 120.10 1jny s ALA 108 Ca 0.12 -0.33 0.12 0.00 0.00 0.00 0.00 51.96 51.87 1jny s ALA 108 Cb -0.10 -2.73 -0.23 0.00 0.00 0.00 0.00 23.12 20.06 1jny s ALA 108 CO 0.02 -0.25 0.63 -0.25 0.00 0.00 0.00 175.76 175.91 1jny n ASP 109 N 4.30 0.91 -3.87 0.00 8.00 0.23 -4.98 116.55 121.15 1jny n ASP 109 Ca -0.06 0.39 -0.09 0.00 0.71 0.00 0.00 54.79 55.75 1jny n ASP 109 Cb 0.51 -0.07 -0.07 0.00 -0.02 0.00 0.00 41.12 41.47 1jny n ASP 109 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1jny s ALA 110 N -2.59 -0.20 0.01 2.24 0.00 -0.50 -4.96 121.76 115.77 1jny s ALA 110 Ca -0.06 -0.65 -0.01 0.00 0.00 0.00 0.00 51.96 51.25 1jny s ALA 110 Cb 0.08 0.55 -0.01 0.00 0.00 0.00 0.00 23.12 23.73 1jny s ALA 110 CO 0.82 -0.53 -0.01 0.00 0.00 0.00 0.00 175.76 176.05 1jny s ALA 111 N -3.88 0.05 -0.14 0.00 0.00 -1.26 -1.48 121.76 115.05 1jny s ALA 111 Ca 0.07 -0.43 0.01 0.00 0.00 0.00 0.00 51.96 51.61 1jny s ALA 111 Cb 0.05 0.11 0.02 0.00 0.00 0.00 0.00 23.12 23.30 1jny s ALA 111 CO -0.09 -0.14 -0.17 0.42 0.00 0.00 0.00 175.76 175.78 1jny s ILE 112 N -1.19 1.70 -0.35 0.00 1.01 -0.61 -2.00 121.20 119.77 1jny s ILE 112 Ca -0.13 -0.74 -0.13 0.00 0.00 0.00 0.00 60.65 59.65 1jny s ILE 112 Cb -0.08 -1.56 -0.01 0.00 0.01 0.00 0.00 42.46 40.82 1jny s ILE 112 CO -0.01 0.48 0.25 -0.22 0.00 0.00 0.00 174.94 175.44 1jny s LEU 113 N 1.19 4.59 -0.20 2.97 1.98 0.70 0.01 118.68 129.92 1jny s LEU 113 Ca -0.01 -0.48 -0.20 0.00 -2.89 0.00 0.00 54.13 50.56 1jny s LEU 113 Cb -0.14 -2.14 -0.03 0.00 0.66 0.00 0.00 46.19 44.54 1jny s LEU 113 CO -0.07 -0.26 0.58 -0.69 -1.89 0.00 0.00 176.35 174.02 1jny s VAL 114 N 1.72 5.06 -0.14 1.68 1.01 0.11 -0.57 120.40 129.27 1jny s VAL 114 Ca 0.06 1.08 0.02 0.00 0.00 0.00 0.00 61.98 63.14 1jny s VAL 114 Cb -0.18 -3.90 0.01 0.00 0.00 0.00 0.00 36.38 32.32 1jny s VAL 114 CO 0.10 0.14 -0.20 -0.69 0.00 0.00 0.00 175.10 174.46 1jny s VAL 115 N 1.77 1.89 0.01 2.92 1.01 0.12 -4.12 120.40 123.99 1jny s VAL 115 Ca 0.27 -0.87 -0.28 0.00 0.00 0.00 0.00 61.98 61.09 1jny s VAL 115 Cb -0.16 -1.69 -0.04 0.00 0.00 0.00 0.00 36.38 34.49 1jny s VAL 115 CO 0.10 0.52 0.89 -0.55 0.00 0.00 0.00 175.10 176.06 1jny s SER 116 N 0.95 7.29 0.10 3.32 0.15 -1.26 0.58 113.70 124.82 1jny s SER 116 Ca -0.05 1.56 0.26 0.00 0.70 0.00 0.00 55.95 58.42 1jny s SER 116 Cb -0.15 -2.53 0.70 0.00 -1.71 0.00 0.00 66.02 62.33 1jny s SER 116 CO -0.03 -0.17 1.60 0.00 1.20 0.00 0.00 173.24 175.84 1jny n ALA 117 N 3.57 2.73 -1.72 5.45 0.00 0.09 -2.80 120.51 127.83 1jny n ALA 117 Ca 0.03 -0.17 -0.42 0.00 0.00 0.00 0.00 53.44 52.88 1jny n ALA 117 Cb 0.51 -1.31 -0.01 0.00 0.00 0.00 0.00 19.45 18.64 1jny n ALA 117 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 1jny n LYS 118 N -1.91 2.30 -1.64 0.00 4.81 -1.26 -4.75 118.16 115.72 1jny n LYS 118 Ca 0.05 0.81 -0.46 0.00 -0.87 0.00 0.00 58.31 57.84 1jny n LYS 118 Cb 0.40 -2.44 -0.03 0.00 0.02 0.00 0.00 35.03 32.97 1jny n LYS 118 CO 0.00 0.00 0.00 1.17 1.17 0.00 0.00 177.40 179.74 1jny n LYS 119 N 0.56 1.71 0.00 1.64 4.81 -1.26 -1.74 118.16 123.88 1jny n LYS 119 Ca 0.04 0.61 0.00 0.00 -0.87 0.00 0.00 58.31 58.09 1jny n LYS 119 Cb 0.37 -2.21 0.00 0.00 0.02 0.00 0.00 35.03 33.21 1jny n LYS 119 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1jny n GLY 120 N 2.15 1.44 0.07 3.14 0.00 -1.26 -4.72 105.19 106.01 1jny n GLY 120 Ca 0.13 -0.11 -0.11 0.00 0.00 0.00 0.00 46.02 45.92 1jny n GLY 120 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1jny h GLU 121 N 0.00 0.12 -0.70 1.61 5.08 -1.66 0.17 114.58 119.20 1jny h GLU 121 Ca 0.00 -0.01 0.05 0.00 -1.00 0.00 0.00 59.36 58.39 1jny h GLU 121 Cb 0.00 -0.02 -0.05 0.00 0.50 0.00 0.00 28.75 29.18 1jny h GLU 121 CO 0.00 0.17 0.41 -0.92 -1.00 0.00 0.00 179.01 177.67 1jny h TYR 122 N 0.03 0.77 -0.63 4.33 3.20 -1.33 -1.14 116.97 122.19 1jny h TYR 122 Ca 0.03 0.02 -0.05 0.00 3.14 0.00 0.00 58.73 61.87 1jny h TYR 122 Cb 0.09 -0.24 -0.03 0.00 1.54 0.00 0.00 36.73 38.09 1jny h TYR 122 CO -0.04 0.40 0.20 0.93 -1.64 0.00 0.00 178.16 178.01 1jny h GLU 123 N 0.78 0.98 -0.30 1.82 3.07 -1.79 -1.07 114.58 118.07 1jny h GLU 123 Ca 0.30 -0.21 -0.01 0.00 -0.50 0.00 0.00 59.36 58.94 1jny h GLU 123 Cb 0.11 -0.14 -0.01 0.00 -0.84 0.00 0.00 28.75 27.87 1jny h GLU 123 CO -0.15 0.86 0.14 0.00 -1.40 0.00 0.00 179.01 178.47 1jny h ALA 124 N 1.07 0.38 -0.86 3.43 0.00 -0.60 -0.05 119.26 122.64 1jny h ALA 124 Ca 0.20 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 1jny h ALA 124 Cb 0.29 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 17.92 1jny h ALA 124 CO -0.01 -0.06 0.51 0.78 0.00 0.00 0.00 179.25 180.48 1jny h GLY 125 N 0.35 1.26 -0.28 0.00 0.00 -0.96 -2.65 103.07 100.78 1jny h GLY 125 Ca 0.10 -0.54 0.00 0.00 0.00 0.00 0.00 47.33 46.90 1jny h GLY 125 CO -0.01 0.52 0.00 1.03 0.00 0.00 0.00 176.54 178.08 1jny n MET 126 N -4.41 1.55 -1.28 4.80 2.00 -0.43 -1.38 117.12 117.97 1jny n MET 126 Ca 0.09 -0.80 -0.30 0.00 0.00 0.00 0.00 57.70 56.68 1jny n MET 126 Cb 0.07 -1.45 0.11 0.00 0.00 0.00 0.00 33.22 31.95 1jny n MET 126 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 175.97 174.43 1jny s SER 127 N -1.87 4.04 0.41 7.83 1.04 -0.05 -4.77 113.70 120.32 1jny s SER 127 Ca 0.37 1.59 0.21 0.00 0.48 0.00 0.00 55.95 58.60 1jny s SER 127 Cb 0.20 -2.29 1.17 0.00 0.10 0.00 0.00 66.02 65.19 1jny s SER 127 CO 0.32 -2.29 1.75 1.62 0.98 0.00 0.00 173.24 175.61 1jny h VAL 128 N -1.31 0.46 -0.02 5.02 3.04 -1.89 0.24 116.25 121.79 1jny h VAL 128 Ca -0.47 -0.11 0.00 0.00 -1.01 0.00 0.00 66.70 65.11 1jny h VAL 128 Cb 1.26 0.10 0.00 0.00 -2.01 0.00 0.00 31.29 30.64 1jny h VAL 128 CO 0.54 0.06 -0.26 -0.62 -1.01 0.00 0.00 177.57 176.28 1jny n GLU 129 N -4.62 1.52 -2.04 4.17 -0.58 -1.26 -4.91 120.64 112.91 1jny n GLU 129 Ca 0.27 -1.18 -0.34 0.00 -0.42 0.00 0.00 57.16 55.49 1jny n GLU 129 Cb 0.97 -1.48 0.02 0.00 -0.57 0.00 0.00 31.44 30.38 1jny n GLU 129 CO 0.00 0.00 0.00 0.20 -0.48 0.00 0.00 177.13 176.85 1jny s GLY 130 N -2.30 2.30 0.00 0.62 0.00 0.84 -4.97 107.32 103.82 1jny s GLY 130 Ca 0.24 0.58 0.28 0.00 0.00 0.00 0.00 44.72 45.83 1jny s GLY 130 CO 0.46 0.92 1.84 -1.06 0.00 0.00 0.00 173.10 175.26 1jny n GLN 131 N -1.88 0.12 -0.03 2.90 3.00 -1.18 -2.19 117.38 118.11 1jny n GLN 131 Ca 0.10 -0.02 -0.14 0.00 -0.01 0.00 0.00 57.00 56.93 1jny n GLN 131 Cb 0.52 -1.50 -0.10 0.00 0.00 0.00 0.00 30.24 29.16 1jny n GLN 131 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.06 178.21 1jny h THR 132 N 0.06 1.45 -0.35 5.09 2.02 -1.53 0.18 112.91 119.83 1jny h THR 132 Ca 0.00 -1.50 -0.02 0.00 0.77 0.00 0.00 66.41 65.66 1jny h THR 132 Cb 0.46 2.34 -0.02 0.00 -1.74 0.00 0.00 68.15 69.20 1jny h THR 132 CO 0.00 0.41 0.15 -0.09 0.37 0.00 0.00 175.52 176.36 1jny h ARG 133 N -0.39 0.51 -0.42 6.66 2.43 -1.51 -0.94 114.38 120.72 1jny h ARG 133 Ca -0.00 -0.09 -0.02 0.00 -0.81 0.00 0.00 59.98 59.07 1jny h ARG 133 Cb 0.73 -0.09 -0.02 0.00 -0.42 0.00 0.00 29.97 30.17 1jny h ARG 133 CO 0.02 0.49 0.20 1.49 -1.51 0.00 0.00 179.97 180.67 1jny h GLU 134 N 0.42 0.61 0.00 0.20 4.81 -1.42 -2.53 114.58 116.66 1jny h GLU 134 Ca 0.12 -0.09 -0.12 0.00 -0.13 0.00 0.00 59.36 59.14 1jny h GLU 134 Cb 0.16 -0.11 -0.02 0.00 0.63 0.00 0.00 28.75 29.41 1jny h GLU 134 CO -0.01 0.52 -0.55 0.45 -0.73 0.00 0.00 179.01 178.69 1jny h HIS 135 N 0.54 0.00 -0.36 0.92 3.86 -0.48 -0.82 115.15 118.81 1jny h HIS 135 Ca 0.14 0.00 -0.06 0.00 -1.16 0.00 0.00 60.37 59.30 1jny h HIS 135 Cb 0.12 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.57 1jny h HIS 135 CO -0.01 0.55 -0.00 0.82 0.86 0.00 0.00 177.93 180.15 1jny h ILE 136 N 0.00 1.26 -0.79 2.45 2.04 -1.07 0.84 117.51 122.24 1jny h ILE 136 Ca -0.01 -0.99 -0.05 0.00 1.00 0.00 0.00 64.86 64.82 1jny h ILE 136 Cb 0.99 1.19 -0.03 0.00 -0.74 0.00 0.00 36.82 38.23 1jny h ILE 136 CO 0.07 0.33 0.32 0.40 0.00 0.00 0.00 178.15 179.27 1jny h ILE 137 N 0.45 1.26 -0.47 -0.67 2.04 -1.24 -1.03 117.51 117.85 1jny h ILE 137 Ca 0.10 -0.82 -0.05 0.00 1.00 0.00 0.00 64.86 65.09 1jny h ILE 137 Cb 0.47 0.32 -0.02 0.00 -0.74 0.00 0.00 36.82 36.84 1jny h ILE 137 CO 0.02 0.34 0.10 0.25 0.00 0.00 0.00 178.15 178.86 1jny h LEU 138 N 1.15 0.73 -1.60 1.44 5.85 -0.93 -1.86 115.31 120.08 1jny h LEU 138 Ca 0.26 -0.24 0.02 0.00 0.84 0.00 0.00 57.88 58.77 1jny h LEU 138 Cb 0.22 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 41.03 1jny h LEU 138 CO -0.02 0.78 0.30 0.00 -0.34 0.00 0.00 178.44 179.16 1jny h ALA 139 N 0.97 1.77 0.44 1.25 0.00 -0.37 0.15 119.26 123.48 1jny h ALA 139 Ca 0.15 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.01 1jny h ALA 139 Cb 0.34 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.99 1jny h ALA 139 CO 0.00 0.19 -0.21 -0.22 0.00 0.00 0.00 179.25 179.01 1jny h LYS 140 N 0.53 -0.57 0.00 0.00 1.63 -0.48 -0.69 116.57 116.99 1jny h LYS 140 Ca 0.18 0.04 -0.04 0.00 -0.85 0.00 0.00 60.65 59.98 1jny h LYS 140 Cb 0.06 0.13 -0.01 0.00 -0.60 0.00 0.00 32.23 31.82 1jny h LYS 140 CO -0.04 -0.30 -0.18 1.79 -3.45 0.00 0.00 179.45 177.27 1jny h THR 141 N -0.76 0.77 0.00 1.00 1.35 -0.73 -1.28 112.91 113.26 1jny h THR 141 Ca -0.06 -0.70 0.00 0.00 -0.55 0.00 0.00 66.41 65.10 1jny h THR 141 Cb 0.53 1.42 0.00 0.00 -1.73 0.00 0.00 68.15 68.38 1jny h THR 141 CO 0.10 0.17 0.00 0.23 -0.25 0.00 0.00 175.52 175.77 1jny n MET 142 N -3.81 0.50 -1.47 4.72 2.81 0.48 -4.91 117.12 115.44 1jny n MET 142 Ca -0.02 0.00 -0.08 0.00 -1.81 0.00 0.00 57.70 55.80 1jny n MET 142 Cb 0.28 -1.50 -0.03 0.00 -0.71 0.00 0.00 33.22 31.26 1jny n MET 142 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1jny n GLY 143 N 1.24 0.73 2.68 3.03 0.00 -0.48 -4.93 105.19 107.45 1jny n GLY 143 Ca 0.15 -0.66 -0.41 0.00 0.00 0.00 0.00 46.02 45.10 1jny n GLY 143 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1jny n LEU 144 N -0.95 7.28 0.21 0.99 4.77 -0.32 -4.72 117.00 124.25 1jny n LEU 144 Ca -0.08 -4.53 0.15 0.00 -0.03 0.00 0.00 56.01 51.51 1jny n LEU 144 Cb 0.34 -1.51 0.66 0.00 -2.33 0.00 0.00 43.42 40.58 1jny n LEU 144 CO 0.12 1.55 0.94 -2.24 -1.33 0.00 0.00 177.39 176.42 1jny h ASP 145 N 5.48 0.00 -0.98 -1.43 2.03 -1.92 -3.04 116.42 116.56 1jny h ASP 145 Ca 0.56 0.00 -0.66 0.00 -0.73 0.00 0.00 57.03 56.20 1jny h ASP 145 Cb 0.52 0.00 -0.30 0.00 -0.83 0.00 0.00 39.33 38.72 1jny h ASP 145 CO 1.69 0.00 0.76 0.00 -1.03 0.00 0.00 179.24 180.66 1jny n GLN 146 N -2.63 2.72 -1.71 4.15 6.02 -1.26 -4.04 117.38 120.63 1jny n GLN 146 Ca 0.00 -3.33 -0.43 0.00 -0.01 0.00 0.00 57.00 53.24 1jny n GLN 146 Cb 0.20 -2.28 -0.03 0.00 1.02 0.00 0.00 30.24 29.16 1jny n GLN 146 CO 0.00 0.00 0.00 -0.11 -1.01 0.00 0.00 177.06 175.94 1jny n LEU 147 N -0.92 3.84 -4.47 1.08 7.94 -1.15 -4.73 117.00 118.59 1jny n LEU 147 Ca 0.62 1.09 -0.36 0.00 -1.11 0.00 0.00 56.01 56.24 1jny n LEU 147 Cb 0.74 -1.54 -0.12 0.00 0.53 0.00 0.00 43.42 43.03 1jny n LEU 147 CO 0.76 0.04 -0.28 -0.63 -1.11 0.00 0.00 177.39 176.17 1jny s ILE 148 N 0.80 4.34 -0.37 1.96 1.01 -0.85 -1.77 121.20 126.32 1jny s ILE 148 Ca 0.73 -0.17 -0.13 0.00 0.00 0.00 0.00 60.65 61.08 1jny s ILE 148 Cb -0.55 -3.01 0.00 0.00 0.01 0.00 0.00 42.46 38.91 1jny s ILE 148 CO 0.38 0.37 0.25 -0.69 0.00 0.00 0.00 174.94 175.24 1jny s VAL 149 N 1.37 5.11 -0.54 2.92 1.01 0.14 -0.22 120.40 130.20 1jny s VAL 149 Ca 0.05 -0.48 -0.18 0.00 0.00 0.00 0.00 61.98 61.37 1jny s VAL 149 Cb -0.15 -3.73 0.09 0.00 0.00 0.00 0.00 36.38 32.59 1jny s VAL 149 CO 0.03 -0.14 0.59 0.00 0.00 0.00 0.00 175.10 175.58 1jny s ALA 150 N 1.67 3.47 -0.93 5.51 0.00 0.26 -1.58 121.76 130.17 1jny s ALA 150 Ca 0.05 -2.12 -0.24 0.00 0.00 0.00 0.00 51.96 49.64 1jny s ALA 150 Cb -0.18 -3.35 0.04 0.00 0.00 0.00 0.00 23.12 19.63 1jny s ALA 150 CO 0.09 -2.08 1.41 0.08 0.00 0.00 0.00 175.76 175.26 1jny s VAL 151 N 2.28 3.85 0.74 0.00 1.01 -0.52 -0.70 120.40 127.06 1jny s VAL 151 Ca 0.10 -0.39 -0.08 0.00 0.00 0.00 0.00 61.98 61.61 1jny s VAL 151 Cb -0.24 -5.00 0.07 0.00 0.00 0.00 0.00 36.38 31.22 1jny s VAL 151 CO 0.07 -1.90 1.06 0.21 0.00 0.00 0.00 175.10 174.55 1jny s ASN 152 N 4.66 4.64 -1.41 3.32 2.47 0.20 -0.94 114.94 127.88 1jny s ASN 152 Ca 0.43 0.49 -0.07 0.00 0.42 0.00 0.00 52.86 54.13 1jny s ASN 152 Cb -0.03 -1.06 0.01 0.00 -1.45 0.00 0.00 41.25 38.72 1jny s ASN 152 CO -0.02 -1.73 0.88 0.29 -3.72 0.00 0.00 177.10 172.80 1jny n LYS 153 N -3.05 -6.33 0.28 0.43 5.02 -1.15 -0.73 118.16 112.64 1jny n LYS 153 Ca 0.09 0.84 0.16 0.00 -2.02 0.00 0.00 58.31 57.38 1jny n LYS 153 Cb 0.61 -5.74 0.83 0.00 -0.02 0.00 0.00 35.03 30.71 1jny n LYS 153 CO 0.00 0.00 0.00 0.52 -0.52 0.00 0.00 177.40 177.40 1jny h MET 154 N -2.02 0.00 0.00 1.97 2.86 -1.67 -0.83 114.93 115.24 1jny h MET 154 Ca -0.53 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.11 1jny h MET 154 Cb 1.36 0.00 0.00 0.00 0.06 0.00 0.00 31.60 33.02 1jny h MET 154 CO 0.55 0.07 0.00 -0.40 1.06 0.00 0.00 176.91 178.18 1jny n ASP 155 N -3.40 0.71 -1.15 1.22 5.75 -1.26 -0.20 116.55 118.21 1jny n ASP 155 Ca -0.02 0.64 0.11 0.00 -0.01 0.00 0.00 54.79 55.52 1jny n ASP 155 Cb 0.21 -0.80 0.24 0.00 -1.03 0.00 0.00 41.12 39.74 1jny n ASP 155 CO 0.00 0.00 0.00 0.18 -0.11 0.00 0.00 177.20 177.27 1jny n LEU 156 N -2.25 3.54 -4.73 -2.12 4.77 -0.32 -4.50 117.00 111.40 1jny n LEU 156 Ca 0.03 -1.72 -0.29 0.00 -0.03 0.00 0.00 56.01 54.01 1jny n LEU 156 Cb 0.29 -0.33 0.16 0.00 -2.33 0.00 0.00 43.42 41.20 1jny n LEU 156 CO 0.23 0.82 0.68 0.42 -1.33 0.00 0.00 177.39 178.21 1jny s THR 157 N -1.23 2.04 -0.28 -5.08 -4.23 -1.20 -4.61 115.64 101.04 1jny s THR 157 Ca 0.40 0.01 0.02 0.00 -1.18 0.00 0.00 61.69 60.94 1jny s THR 157 Cb 0.22 -2.63 0.08 0.00 1.34 0.00 0.00 72.50 71.51 1jny s THR 157 CO 0.30 -0.02 -0.01 -1.61 -0.54 0.00 0.00 174.62 172.75 1jny s GLU 158 N -5.12 1.53 0.92 3.99 2.02 -1.26 -1.94 118.70 118.83 1jny s GLU 158 Ca 0.65 -1.31 -0.12 0.00 0.02 0.00 0.00 54.97 54.20 1jny s GLU 158 Cb -0.17 -2.72 0.14 0.00 0.10 0.00 0.00 34.13 31.49 1jny s GLU 158 CO 0.55 -0.75 1.12 -1.25 0.02 0.00 0.00 175.26 174.95 1jny s PRO 159 N 1.25 1.04 0.50 0.39 0.04 -1.26 -4.97 135.00 131.98 1jny s PRO 159 Ca 0.01 0.42 -0.23 0.00 0.04 0.00 0.00 61.00 61.24 1jny s PRO 159 Cb -0.19 -1.82 -0.07 0.00 0.04 0.00 0.00 34.50 32.46 1jny s PRO 159 CO -0.10 -2.29 1.25 -2.30 0.04 0.00 0.00 177.00 173.61 1jny n PRO 160 N -3.85 1.67 -3.50 0.56 -0.02 -0.82 -3.08 135.00 125.97 1jny n PRO 160 Ca 0.06 0.61 -0.21 0.00 -2.02 0.00 0.00 63.50 61.93 1jny n PRO 160 Cb 0.58 -2.42 0.08 0.00 -0.02 0.00 0.00 33.50 31.72 1jny n PRO 160 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 1jny n TYR 161 N -0.76 -2.60 -2.47 6.00 4.01 0.72 -4.93 117.16 117.12 1jny n TYR 161 Ca 0.09 0.94 -0.43 0.00 -0.16 0.00 0.00 57.90 58.34 1jny n TYR 161 Cb 0.43 -4.77 -0.02 0.00 -0.31 0.00 0.00 39.34 34.66 1jny n TYR 161 CO 0.00 0.00 0.00 0.34 -0.46 0.00 0.00 176.86 176.74 1jny s ASP 162 N -3.43 6.59 0.34 7.72 2.15 -1.18 -4.92 116.67 123.94 1jny s ASP 162 Ca 0.47 0.86 0.02 0.00 0.43 0.00 0.00 52.55 54.33 1jny s ASP 162 Cb -0.21 -2.54 0.61 0.00 -0.30 0.00 0.00 42.92 40.48 1jny s ASP 162 CO 0.68 -1.22 1.99 -0.08 -0.17 0.00 0.00 175.17 176.37 1jny h GLU 163 N 9.58 0.84 -0.62 4.34 4.81 -1.92 -2.59 114.58 129.02 1jny h GLU 163 Ca -0.25 -0.06 -0.03 0.00 -0.13 0.00 0.00 59.36 58.89 1jny h GLU 163 Cb 1.09 -0.18 -0.03 0.00 0.63 0.00 0.00 28.75 30.25 1jny h GLU 163 CO 1.08 0.57 0.28 -0.22 -0.73 0.00 0.00 179.01 179.99 1jny h LYS 164 N 0.86 0.91 -0.57 1.92 3.64 -1.99 -0.10 116.57 121.24 1jny h LYS 164 Ca 0.23 -0.15 -0.02 0.00 -1.27 0.00 0.00 60.65 59.44 1jny h LYS 164 Cb -0.06 -0.16 -0.03 0.00 -0.41 0.00 0.00 32.23 31.58 1jny h LYS 164 CO -0.05 0.75 0.27 -0.09 -2.27 0.00 0.00 179.45 178.06 1jny h ARG 165 N 0.86 0.82 0.07 1.90 9.65 -1.89 -1.19 114.38 124.59 1jny h ARG 165 Ca 0.21 -0.12 -0.00 0.00 -1.10 0.00 0.00 59.98 58.96 1jny h ARG 165 Cb 0.16 -0.15 0.00 0.00 -1.39 0.00 0.00 29.97 28.59 1jny h ARG 165 CO -0.02 0.67 -0.03 -0.92 2.80 0.00 0.00 179.97 182.46 1jny h TYR 166 N 0.77 -0.08 -0.54 2.20 3.20 -1.10 -2.00 116.97 119.41 1jny h TYR 166 Ca 0.19 -0.00 -0.04 0.00 3.14 0.00 0.00 58.73 62.03 1jny h TYR 166 Cb 0.12 0.03 -0.03 0.00 1.54 0.00 0.00 36.73 38.40 1jny h TYR 166 CO -0.00 -0.03 0.19 0.87 -1.64 0.00 0.00 178.16 177.54 1jny h LYS 167 N -0.11 0.80 -0.38 1.82 1.57 -0.86 -0.66 116.57 118.74 1jny h LYS 167 Ca -0.01 -0.13 -0.02 0.00 -1.87 0.00 0.00 60.65 58.62 1jny h LYS 167 Cb 0.09 -0.14 -0.02 0.00 0.08 0.00 0.00 32.23 32.25 1jny h LYS 167 CO 0.01 0.68 0.16 1.49 -0.57 0.00 0.00 179.45 181.23 1jny h GLU 168 N 0.78 0.56 -0.30 3.15 4.81 -1.08 -0.17 114.58 122.32 1jny h GLU 168 Ca 0.18 -0.09 -0.03 0.00 -0.13 0.00 0.00 59.36 59.29 1jny h GLU 168 Cb 0.20 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 29.48 1jny h GLU 168 CO -0.01 0.52 0.09 0.82 -0.73 0.00 0.00 179.01 179.69 1jny h ILE 169 N 0.47 1.21 -0.49 2.32 2.04 -0.93 -0.45 117.51 121.67 1jny h ILE 169 Ca 0.13 -0.67 0.00 0.00 1.00 0.00 0.00 64.86 65.31 1jny h ILE 169 Cb 0.16 1.08 -0.02 0.00 -0.74 0.00 0.00 36.82 37.29 1jny h ILE 169 CO -0.01 0.23 0.31 0.58 0.00 0.00 0.00 178.15 179.25 1jny h VAL 170 N 0.33 1.14 -0.15 1.67 2.07 -0.99 0.44 116.25 120.76 1jny h VAL 170 Ca 0.10 -0.30 -0.01 0.00 0.82 0.00 0.00 66.70 67.31 1jny h VAL 170 Cb 0.26 0.46 -0.01 0.00 -1.52 0.00 0.00 31.29 30.48 1jny h VAL 170 CO -0.00 0.14 0.07 -0.78 0.02 0.00 0.00 177.57 177.02 1jny h ASP 171 N 0.66 0.19 0.02 0.57 3.58 -0.85 0.37 116.42 120.96 1jny h ASP 171 Ca 0.18 -0.12 -0.00 0.00 0.42 0.00 0.00 57.03 57.50 1jny h ASP 171 Cb -0.03 -0.05 0.00 0.00 1.72 0.00 0.00 39.33 40.97 1jny h ASP 171 CO -0.04 0.26 -0.01 1.56 -2.88 0.00 0.00 179.24 178.14 1jny h GLN 172 N 0.11 -0.03 -0.70 0.28 4.20 -0.83 0.12 115.11 118.27 1jny h GLN 172 Ca 0.05 0.00 -0.03 0.00 0.06 0.00 0.00 58.65 58.74 1jny h GLN 172 Cb 0.12 0.01 -0.03 0.00 0.30 0.00 0.00 27.48 27.87 1jny h GLN 172 CO -0.01 0.16 0.32 0.28 -0.67 0.00 0.00 178.83 178.92 1jny h VAL 173 N -0.21 1.23 -0.09 -0.54 2.07 -0.89 -0.34 116.25 117.47 1jny h VAL 173 Ca -0.00 -0.65 -0.01 0.00 0.82 0.00 0.00 66.70 66.86 1jny h VAL 173 Cb 0.20 0.34 -0.00 0.00 -1.52 0.00 0.00 31.29 30.31 1jny h VAL 173 CO 0.00 0.27 0.03 0.28 0.02 0.00 0.00 177.57 178.17 1jny h SER 174 N 0.99 0.13 -0.60 0.57 0.02 -0.69 0.92 113.55 114.89 1jny h SER 174 Ca 0.24 -0.21 -0.00 0.00 -0.84 0.00 0.00 61.79 60.98 1jny h SER 174 Cb 0.12 -0.04 -0.03 0.00 0.14 0.00 0.00 62.40 62.59 1jny h SER 174 CO -0.03 0.31 0.37 0.11 -1.14 0.00 0.00 176.83 176.45 1jny h LYS 175 N -0.04 0.81 -0.33 3.45 1.57 -0.69 -1.19 116.57 120.14 1jny h LYS 175 Ca 0.03 -0.07 0.02 0.00 -1.87 0.00 0.00 60.65 58.76 1jny h LYS 175 Cb 0.22 -0.17 -0.02 0.00 0.08 0.00 0.00 32.23 32.33 1jny h LYS 175 CO -0.00 0.57 0.18 0.35 -0.57 0.00 0.00 179.45 179.98 1jny h PHE 176 N 0.81 0.34 -0.22 -1.35 3.57 -0.93 -0.69 116.94 118.48 1jny h PHE 176 Ca 0.22 0.01 0.04 0.00 3.53 0.00 0.00 57.97 61.76 1jny h PHE 176 Cb -0.04 -0.10 -0.03 0.00 2.79 0.00 0.00 35.95 38.56 1jny h PHE 176 CO -0.02 0.19 0.01 0.52 -2.23 0.00 0.00 178.31 176.77 1jny h MET 177 N 0.37 0.07 -0.71 1.11 2.86 -0.35 -2.18 114.93 116.10 1jny h MET 177 Ca 0.13 -0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.76 1jny h MET 177 Cb 0.02 -0.02 -0.03 0.00 0.06 0.00 0.00 31.60 31.63 1jny h MET 177 CO -0.07 0.05 0.42 0.00 1.06 0.00 0.00 176.91 178.37 1jny h ARG 178 N 0.08 0.97 0.00 1.72 3.08 -0.85 -0.04 114.38 119.33 1jny h ARG 178 Ca 0.10 -0.09 0.00 0.00 0.07 0.00 0.00 59.98 60.06 1jny h ARG 178 Cb 0.12 -0.20 0.00 0.00 0.08 0.00 0.00 29.97 29.97 1jny h ARG 178 CO -0.17 0.69 0.00 -1.13 -1.07 0.00 0.00 179.97 178.29 1jny n SER 179 N -4.39 0.06 -0.74 7.04 3.41 -0.30 -1.85 113.62 116.86 1jny n SER 179 Ca 0.07 0.52 0.08 0.00 -0.26 0.00 0.00 58.87 59.28 1jny n SER 179 Cb 0.07 -0.53 0.23 0.00 -0.26 0.00 0.00 64.21 63.73 1jny n SER 179 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 1jny n TYR 180 N -1.57 0.76 0.00 7.33 4.02 -0.11 -4.96 117.16 122.63 1jny n TYR 180 Ca 0.03 -0.93 0.00 0.00 -0.01 0.00 0.00 57.90 56.99 1jny n TYR 180 Cb 0.16 -0.29 0.00 0.00 -0.02 0.00 0.00 39.34 39.19 1jny n TYR 180 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1jny n GLY 181 N -0.73 2.92 3.57 2.72 0.00 -0.77 -4.95 105.19 107.95 1jny n GLY 181 Ca 0.21 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.84 1jny n GLY 181 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1jny s PHE 182 N -2.32 1.13 0.05 1.61 2.19 -0.72 -4.86 117.98 115.06 1jny s PHE 182 Ca 0.00 1.13 -0.06 0.00 0.33 0.00 0.00 56.93 58.33 1jny s PHE 182 Cb 0.00 -3.74 0.03 0.00 -1.31 0.00 0.00 43.02 38.00 1jny s PHE 182 CO 0.00 -3.16 0.42 -1.71 1.83 0.00 0.00 175.22 172.59 1jny n ASN 183 N 14.10 -0.22 0.00 6.13 4.05 -1.26 -3.85 115.26 134.21 1jny n ASN 183 Ca 0.33 0.47 0.00 0.00 0.45 0.00 0.00 54.58 55.84 1jny n ASN 183 Cb 0.51 -0.09 0.00 0.00 1.23 0.00 0.00 39.78 41.43 1jny n ASN 183 CO 0.00 0.00 0.00 0.41 -3.05 0.00 0.00 177.26 174.62 1jny n THR 184 N -4.37 0.00 0.20 -0.44 -1.04 -1.26 -4.79 114.28 102.58 1jny n THR 184 Ca 0.02 0.00 0.10 0.00 -2.04 0.00 0.00 64.05 62.13 1jny n THR 184 Cb 0.09 0.00 0.65 0.00 -1.82 0.00 0.00 70.33 69.25 1jny n THR 184 CO 0.00 0.00 0.00 -0.55 -0.64 0.00 0.00 175.07 173.88 1jny h ASN 185 N 0.00 0.01 -0.47 8.00 -0.00 -1.91 -1.83 115.58 119.38 1jny h ASN 185 Ca 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 56.30 56.30 1jny h ASN 185 Cb 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 38.32 38.32 1jny h ASN 185 CO 0.00 0.01 0.00 1.17 -0.00 0.00 0.00 177.43 178.61 1jny n LYS 186 N -4.51 2.60 -3.06 4.14 3.00 -1.26 -4.95 118.16 114.12 1jny n LYS 186 Ca -0.00 -2.24 -0.39 0.00 -0.00 0.00 0.00 58.31 55.67 1jny n LYS 186 Cb 0.19 -1.41 -0.05 0.00 0.00 0.00 0.00 35.03 33.76 1jny n LYS 186 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.40 177.48 1jny s VAL 187 N -1.07 4.81 -0.06 3.15 1.01 -0.69 -4.25 120.40 123.31 1jny s VAL 187 Ca 0.34 1.49 0.05 0.00 0.00 0.00 0.00 61.98 63.85 1jny s VAL 187 Cb 0.18 -4.05 -0.00 0.00 0.00 0.00 0.00 36.38 32.51 1jny s VAL 187 CO 0.24 0.38 -0.19 -0.13 0.00 0.00 0.00 175.10 175.40 1jny s ARG 188 N -0.06 2.11 0.12 2.72 1.81 -0.73 -5.01 118.95 119.92 1jny s ARG 188 Ca 0.36 -0.69 0.06 0.00 -1.72 0.00 0.00 55.73 53.73 1jny s ARG 188 Cb -0.20 -1.77 -0.04 0.00 -0.45 0.00 0.00 34.95 32.49 1jny s ARG 188 CO 0.21 0.25 0.00 -0.06 -0.68 0.00 0.00 175.30 175.02 1jny s PHE 189 N 0.08 2.94 -0.21 -0.53 0.40 -1.26 0.29 117.98 119.69 1jny s PHE 189 Ca -0.07 -0.07 -0.11 0.00 -0.60 0.00 0.00 56.93 56.08 1jny s PHE 189 Cb -0.13 -1.48 0.07 0.00 0.51 0.00 0.00 43.02 41.99 1jny s PHE 189 CO 0.03 0.49 0.50 0.54 0.70 0.00 0.00 175.22 177.49 1jny s VAL 190 N -1.47 -0.06 0.04 -0.44 0.11 -0.61 -4.94 120.40 113.02 1jny s VAL 190 Ca 0.26 0.07 -0.30 0.00 -2.93 0.00 0.00 61.98 59.08 1jny s VAL 190 Cb -0.11 -0.74 -0.04 0.00 -1.53 0.00 0.00 36.38 33.96 1jny s VAL 190 CO 0.18 0.03 1.07 -2.16 -3.33 0.00 0.00 175.10 170.89 1jny s PRO 191 N 1.56 4.51 0.11 1.54 0.04 -1.26 -1.44 135.00 140.06 1jny s PRO 191 Ca -0.09 1.57 -0.03 0.00 0.04 0.00 0.00 61.00 62.49 1jny s PRO 191 Cb -0.08 -3.40 -0.03 0.00 0.04 0.00 0.00 34.50 31.03 1jny s PRO 191 CO -0.15 -0.12 0.09 0.08 0.04 0.00 0.00 177.00 176.94 1jny s VAL 192 N 0.95 0.13 -0.31 -0.36 1.01 -0.11 -4.63 120.40 117.07 1jny s VAL 192 Ca 0.54 -1.72 -0.02 0.00 0.00 0.00 0.00 61.98 60.78 1jny s VAL 192 Cb -0.25 -1.80 0.10 0.00 0.00 0.00 0.00 36.38 34.44 1jny s VAL 192 CO 0.29 -0.59 0.13 -0.69 0.00 0.00 0.00 175.10 174.24 1jny s VAL 193 N -3.98 0.31 0.19 2.92 1.01 -0.93 -2.32 120.40 117.60 1jny s VAL 193 Ca 0.16 -1.11 -0.13 0.00 0.00 0.00 0.00 61.98 60.91 1jny s VAL 193 Cb 0.07 -1.25 0.12 0.00 0.00 0.00 0.00 36.38 35.31 1jny s VAL 193 CO -0.03 -0.74 1.71 0.00 0.00 0.00 0.00 175.10 176.04 1jny h ALA 194 N 8.13 0.56 -0.83 5.51 0.00 -1.94 -1.24 119.26 129.46 1jny h ALA 194 Ca -0.15 0.12 0.07 0.00 0.00 0.00 0.00 54.91 54.95 1jny h ALA 194 Cb 1.01 0.16 -0.06 0.00 0.00 0.00 0.00 17.79 18.90 1jny h ALA 194 CO 0.44 -0.32 0.54 -1.35 0.00 0.00 0.00 179.25 178.56 1jny h PRO 195 N 0.22 0.85 0.00 0.00 0.11 -1.97 -2.90 132.00 128.31 1jny h PRO 195 Ca 0.26 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 66.32 1jny h PRO 195 Cb 0.36 -0.19 0.00 0.00 0.11 0.00 0.00 31.00 31.28 1jny h PRO 195 CO -0.35 0.56 -0.97 -1.13 -0.21 0.00 0.00 178.00 175.90 1jny n SER 196 N -4.50 0.82 -0.06 -2.05 3.41 -1.12 -4.96 113.62 105.15 1jny n SER 196 Ca 0.13 -0.74 -0.01 0.00 -0.26 0.00 0.00 58.87 57.99 1jny n SER 196 Cb 0.25 0.91 -0.00 0.00 -0.26 0.00 0.00 64.21 65.10 1jny n SER 196 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1jny n GLY 197 N 1.47 0.49 3.67 5.00 0.00 -0.51 -4.97 105.19 110.34 1jny n GLY 197 Ca 0.04 -0.42 -0.42 0.00 0.00 0.00 0.00 46.02 45.22 1jny n GLY 197 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1jny s ASP 198 N -2.41 6.48 -0.58 1.61 1.11 -0.96 -1.12 116.67 120.79 1jny s ASP 198 Ca 0.00 2.62 0.00 0.00 0.18 0.00 0.00 52.55 55.35 1jny s ASP 198 Cb 0.00 -2.54 0.00 0.00 1.07 0.00 0.00 42.92 41.45 1jny s ASP 198 CO 0.00 -1.02 0.00 0.59 1.18 0.00 0.00 175.17 175.92 1jny n ASN 199 N 7.05 -4.97 -0.02 0.27 3.02 0.17 -2.19 115.26 118.59 1jny n ASN 199 Ca 0.19 0.14 -0.04 0.00 -0.03 0.00 0.00 54.58 54.84 1jny n ASN 199 Cb 0.41 -2.95 -0.01 0.00 -0.61 0.00 0.00 39.78 36.61 1jny n ASN 199 CO 0.00 0.00 0.00 -0.38 -2.62 0.00 0.00 177.26 174.26 1jny n ILE 200 N -2.40 1.01 0.15 2.41 5.41 -0.28 -0.52 119.36 125.15 1jny n ILE 200 Ca -0.06 0.26 0.04 0.00 1.00 0.00 0.00 62.75 64.00 1jny n ILE 200 Cb 0.40 -1.84 0.07 0.00 -0.71 0.00 0.00 39.64 37.56 1jny n ILE 200 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 176.55 176.90 1jny n THR 201 N -3.64 0.41 -3.51 1.39 -2.24 -0.81 -1.93 114.28 103.95 1jny n THR 201 Ca -0.06 -0.70 -0.12 0.00 -2.27 0.00 0.00 64.05 60.90 1jny n THR 201 Cb 0.23 0.90 -0.04 0.00 -2.10 0.00 0.00 70.33 69.32 1jny n THR 201 CO 0.00 0.00 0.00 -1.38 -0.57 0.00 0.00 175.07 173.12 1jny s HIS 202 N -0.83 -0.46 0.71 4.78 -3.43 -1.23 -5.07 115.29 109.77 1jny s HIS 202 Ca 0.13 0.54 -0.15 0.00 -0.80 0.00 0.00 55.06 54.79 1jny s HIS 202 Cb 0.08 0.49 0.03 0.00 -1.43 0.00 0.00 32.58 31.75 1jny s HIS 202 CO 0.11 -0.57 1.15 0.15 -2.00 0.00 0.00 174.74 173.59 1jny s LYS 203 N -2.31 2.40 -0.08 -0.38 -0.14 -1.26 0.45 119.74 118.42 1jny s LYS 203 Ca -0.01 1.56 -0.11 0.00 -1.36 0.00 0.00 55.97 56.05 1jny s LYS 203 Cb -0.01 -1.89 -0.05 0.00 -1.68 0.00 0.00 37.83 34.21 1jny s LYS 203 CO -0.03 -1.59 0.26 0.45 -0.76 0.00 0.00 175.35 173.68 1jny s SER 204 N -2.36 6.56 0.00 2.83 0.15 -1.26 -4.38 113.70 115.24 1jny s SER 204 Ca 0.70 0.67 0.23 0.00 0.70 0.00 0.00 55.95 58.24 1jny s SER 204 Cb -0.24 -2.15 0.57 0.00 -1.71 0.00 0.00 66.02 62.48 1jny s SER 204 CO 0.44 0.34 1.47 -0.62 1.20 0.00 0.00 173.24 176.07 1jny n GLU 205 N 2.12 2.12 0.00 5.44 1.02 -1.26 -4.03 120.64 126.05 1jny n GLU 205 Ca -0.17 -1.67 0.08 0.00 -0.02 0.00 0.00 57.16 55.38 1jny n GLU 205 Cb 0.54 -1.46 -0.03 0.00 -0.02 0.00 0.00 31.44 30.47 1jny n GLU 205 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1jny n ASN 206 N 0.91 1.35 -3.27 1.62 3.02 -1.26 -4.64 115.26 113.00 1jny n ASN 206 Ca 0.17 -1.18 -0.25 0.00 -0.03 0.00 0.00 54.58 53.30 1jny n ASN 206 Cb 0.48 0.64 -0.07 0.00 -0.61 0.00 0.00 39.78 40.22 1jny n ASN 206 CO 0.00 0.00 0.00 0.23 -2.62 0.00 0.00 177.26 174.87 1jny n MET 207 N -0.52 1.64 0.31 3.52 2.81 -1.26 -4.86 117.12 118.77 1jny n MET 207 Ca 0.06 -3.94 0.20 0.00 -1.81 0.00 0.00 57.70 52.21 1jny n MET 207 Cb 0.31 -1.74 1.02 0.00 -0.71 0.00 0.00 33.22 32.10 1jny n MET 207 CO 0.00 0.00 0.00 0.87 1.51 0.00 0.00 175.97 178.35 1jny h LYS 208 N 3.93 0.00 0.00 0.03 6.56 -1.83 -1.19 116.57 124.08 1jny h LYS 208 Ca 0.13 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.72 1jny h LYS 208 Cb 0.77 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.43 1jny h LYS 208 CO 0.64 0.01 0.00 0.11 -2.06 0.00 0.00 179.45 178.16 1jny h TRP 209 N 0.00 0.00 -3.20 -1.35 5.08 -1.96 -3.41 115.95 111.11 1jny h TRP 209 Ca -0.00 0.00 -0.67 0.00 1.08 0.00 0.00 58.89 59.30 1jny h TRP 209 Cb 0.15 0.00 -0.17 0.00 -3.00 0.00 0.00 29.16 26.15 1jny h TRP 209 CO 0.00 0.00 0.18 -0.47 -1.28 0.00 0.00 178.44 176.87 1jny s TYR 210 N -3.33 2.98 -0.86 0.12 5.04 -0.45 -4.94 117.35 115.90 1jny s TYR 210 Ca 0.06 -0.45 0.01 0.00 -2.44 0.00 0.00 57.07 54.25 1jny s TYR 210 Cb 0.09 -3.71 0.28 0.00 0.35 0.00 0.00 41.96 38.98 1jny s TYR 210 CO 0.52 -1.14 1.15 0.09 -1.34 0.00 0.00 175.55 174.83 1jny n ASN 211 N 6.52 5.22 -3.19 4.32 3.02 -1.26 -5.00 115.26 124.88 1jny n ASN 211 Ca -0.05 -3.45 -0.16 0.00 -0.03 0.00 0.00 54.58 50.88 1jny n ASN 211 Cb 0.46 -0.97 -0.05 0.00 -0.61 0.00 0.00 39.78 38.61 1jny n ASN 211 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 1jny s GLY 212 N -2.16 1.79 0.73 7.41 0.00 -1.26 -5.16 107.32 108.66 1jny s GLY 212 Ca 0.36 -1.71 -0.14 0.00 0.00 0.00 0.00 44.72 43.23 1jny s GLY 212 CO 0.04 -1.14 1.13 -4.14 0.00 0.00 0.00 173.10 168.99 1jny s PRO 213 N -3.06 2.34 0.65 2.90 0.02 -1.26 -5.05 135.00 131.54 1jny s PRO 213 Ca 0.34 1.46 -0.11 0.00 0.02 0.00 0.00 61.00 62.70 1jny s PRO 213 Cb 0.00 -1.89 -0.02 0.00 0.02 0.00 0.00 34.50 32.62 1jny s PRO 213 CO 0.23 -1.62 1.05 0.99 -0.33 0.00 0.00 177.00 177.32 1jny s THR 214 N -2.39 4.29 0.20 0.99 2.01 -1.26 -4.86 115.64 114.62 1jny s THR 214 Ca 0.68 0.74 -0.10 0.00 0.31 0.00 0.00 61.69 63.32 1jny s THR 214 Cb -0.22 -3.70 0.12 0.00 0.01 0.00 0.00 72.50 68.71 1jny s THR 214 CO 0.47 -0.97 1.78 0.25 -0.69 0.00 0.00 174.62 175.46 1jny h LEU 215 N -0.47 0.38 -0.84 4.42 6.46 -0.87 -0.66 115.31 123.72 1jny h LEU 215 Ca -0.44 0.05 0.00 0.00 -0.12 0.00 0.00 57.88 57.36 1jny h LEU 215 Cb 1.21 -0.02 -0.04 0.00 -0.73 0.00 0.00 40.66 41.08 1jny h LEU 215 CO 0.62 0.24 0.53 -0.08 -0.62 0.00 0.00 178.44 179.13 1jny h GLU 216 N 0.53 1.13 -0.24 1.25 4.81 -1.64 -0.35 114.58 120.06 1jny h GLU 216 Ca 0.28 -0.09 -0.05 0.00 -0.13 0.00 0.00 59.36 59.37 1jny h GLU 216 Cb 0.24 -0.24 -0.01 0.00 0.63 0.00 0.00 28.75 29.37 1jny h GLU 216 CO -0.22 0.78 -0.05 0.93 -0.73 0.00 0.00 179.01 179.71 1jny h GLU 217 N 1.15 0.37 -0.30 1.92 5.08 -1.54 -1.44 114.58 119.83 1jny h GLU 217 Ca 0.31 -0.08 -0.15 0.00 -1.00 0.00 0.00 59.36 58.43 1jny h GLU 217 Cb -0.08 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.11 1jny h GLU 217 CO -0.06 0.45 -0.43 1.88 -1.00 0.00 0.00 179.01 179.85 1jny h TYR 218 N 0.36 0.90 -0.87 4.33 0.05 -0.09 -1.79 116.97 119.87 1jny h TYR 218 Ca 0.08 -0.28 0.01 0.00 0.05 0.00 0.00 58.73 58.58 1jny h TYR 218 Cb 0.33 -0.19 -0.04 0.00 1.01 0.00 0.00 36.73 37.84 1jny h TYR 218 CO 0.01 1.05 0.56 -0.07 -1.05 0.00 0.00 178.16 178.66 1jny h LEU 219 N 0.61 1.01 -0.25 3.88 3.38 -0.32 -0.50 115.31 123.11 1jny h LEU 219 Ca 0.04 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.98 1jny h LEU 219 Cb 0.98 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 41.48 1jny h LEU 219 CO 0.09 0.74 0.00 0.47 0.09 0.00 0.00 178.44 179.83 1jny n ASP 220 N -4.39 0.50 -0.06 -0.43 8.00 -0.62 -2.25 116.55 117.30 1jny n ASP 220 Ca 0.10 0.58 0.12 0.00 0.71 0.00 0.00 54.79 56.30 1jny n ASP 220 Cb 0.03 -0.70 0.28 0.00 -0.02 0.00 0.00 41.12 40.71 1jny n ASP 220 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1jny n GLN 221 N -2.01 0.19 -1.77 -1.24 6.02 -0.23 -4.88 117.38 113.46 1jny n GLN 221 Ca 0.04 -0.11 -0.41 0.00 -0.01 0.00 0.00 57.00 56.51 1jny n GLN 221 Cb 0.30 -1.50 -0.00 0.00 1.02 0.00 0.00 30.24 30.06 1jny n GLN 221 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 1jny s LEU 222 N -2.88 4.32 -0.01 1.08 1.43 -0.96 -5.00 118.68 116.66 1jny s LEU 222 Ca 0.14 3.05 -0.08 0.00 -1.03 0.00 0.00 54.13 56.21 1jny s LEU 222 Cb 0.18 -3.66 -0.05 0.00 0.03 0.00 0.00 46.19 42.69 1jny s LEU 222 CO 0.66 -0.91 0.28 -1.61 0.23 0.00 0.00 176.35 175.00 1jny s GLU 223 N -1.63 3.62 0.47 1.70 2.02 -1.26 -5.09 118.70 118.53 1jny s GLU 223 Ca 0.56 0.01 -0.20 0.00 0.02 0.00 0.00 54.97 55.37 1jny s GLU 223 Cb -0.47 -3.11 -0.09 0.00 0.10 0.00 0.00 34.13 30.55 1jny s GLU 223 CO 0.59 0.67 0.99 -0.51 0.02 0.00 0.00 175.26 177.02 1jny s LEU 224 N -1.55 3.84 0.94 1.80 1.43 -1.26 -5.03 118.68 118.85 1jny s LEU 224 Ca 0.25 1.77 -0.11 0.00 -1.03 0.00 0.00 54.13 55.01 1jny s LEU 224 Cb -0.14 -4.54 0.16 0.00 0.03 0.00 0.00 46.19 41.70 1jny s LEU 224 CO 0.14 -0.58 1.10 -2.16 0.23 0.00 0.00 176.35 175.07 1jny s PRO 225 N -3.36 0.88 0.47 1.29 0.04 -1.26 -4.94 135.00 128.12 1jny s PRO 225 Ca 0.64 1.16 -0.24 0.00 0.04 0.00 0.00 61.00 62.60 1jny s PRO 225 Cb -0.12 -1.74 -0.08 0.00 0.04 0.00 0.00 34.50 32.60 1jny s PRO 225 CO 0.19 -2.60 1.32 -2.30 0.04 0.00 0.00 177.00 173.65 1jny n PRO 226 N -4.17 1.92 -2.88 0.56 -0.02 -1.26 -4.97 135.00 124.17 1jny n PRO 226 Ca 0.08 0.69 -0.37 0.00 -2.02 0.00 0.00 63.50 61.88 1jny n PRO 226 Cb 0.53 -2.48 -0.06 0.00 -0.02 0.00 0.00 33.50 31.47 1jny n PRO 226 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 1jny s LYS 227 N -2.44 4.49 0.41 -0.52 1.02 -1.26 -4.94 119.74 116.49 1jny s LYS 227 Ca 0.64 1.19 0.18 0.00 0.02 0.00 0.00 55.97 57.99 1jny s LYS 227 Cb -0.47 -2.85 1.08 0.00 -0.52 0.00 0.00 37.83 35.07 1jny s LYS 227 CO 0.55 0.33 1.83 -1.35 -0.92 0.00 0.00 175.35 175.80 1jny h PRO 228 N 3.32 0.40 0.00 -1.68 0.11 -1.93 0.13 132.00 132.35 1jny h PRO 228 Ca -0.47 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 65.61 1jny h PRO 228 Cb 1.19 -0.09 -0.00 0.00 0.11 0.00 0.00 31.00 32.21 1jny h PRO 228 CO 0.65 0.27 -0.04 -0.24 -0.21 0.00 0.00 178.00 178.42 1jny h VAL 229 N 0.41 0.49 -0.01 3.15 3.04 -1.88 0.62 116.25 122.09 1jny h VAL 229 Ca 0.50 -0.20 0.00 0.00 -1.01 0.00 0.00 66.70 65.99 1jny h VAL 229 Cb 1.25 1.13 0.00 0.00 -2.01 0.00 0.00 31.29 31.66 1jny h VAL 229 CO -0.21 0.04 -0.41 0.47 -1.01 0.00 0.00 177.57 176.45 1jny n ASP 230 N -3.70 0.92 -4.92 3.17 8.00 0.46 -3.82 116.55 116.65 1jny n ASP 230 Ca -0.03 -0.73 -0.26 0.00 0.71 0.00 0.00 54.79 54.49 1jny n ASP 230 Cb 0.14 0.26 0.01 0.00 -0.02 0.00 0.00 41.12 41.51 1jny n ASP 230 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 1jny s LYS 231 N -2.71 3.25 0.58 -1.24 1.02 -0.45 -4.92 119.74 115.27 1jny s LYS 231 Ca 0.18 -0.06 -0.19 0.00 0.02 0.00 0.00 55.97 55.92 1jny s LYS 231 Cb 0.18 -2.41 -0.05 0.00 -0.52 0.00 0.00 37.83 35.03 1jny s LYS 231 CO 0.61 -0.33 0.96 -2.30 -0.92 0.00 0.00 175.35 173.37 1jny n PRO 232 N -2.27 0.94 -1.86 -1.68 -0.02 -1.26 -1.92 135.00 126.93 1jny n PRO 232 Ca 0.01 0.36 -0.41 0.00 -2.02 0.00 0.00 63.50 61.44 1jny n PRO 232 Cb 0.56 -2.15 -0.02 0.00 -0.02 0.00 0.00 33.50 31.88 1jny n PRO 232 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 1jny s LEU 233 N -1.81 4.36 -0.10 2.45 2.96 -1.26 -3.43 118.68 121.85 1jny s LEU 233 Ca 0.74 2.87 -0.04 0.00 -0.22 0.00 0.00 54.13 57.48 1jny s LEU 233 Cb -0.43 -3.64 0.05 0.00 0.50 0.00 0.00 46.19 42.68 1jny s LEU 233 CO 0.48 -0.83 0.21 -0.13 -1.32 0.00 0.00 176.35 174.76 1jny s ARG 234 N -0.72 0.12 -0.33 1.98 1.81 -0.81 -4.24 118.95 116.76 1jny s ARG 234 Ca 0.60 0.60 -0.01 0.00 -1.72 0.00 0.00 55.73 55.20 1jny s ARG 234 Cb -0.46 -0.14 0.11 0.00 -0.45 0.00 0.00 34.95 34.01 1jny s ARG 234 CO 0.49 -0.25 0.14 0.42 -0.68 0.00 0.00 175.30 175.42 1jny s ILE 235 N 1.96 0.59 0.15 1.52 1.01 0.67 -0.91 121.20 126.19 1jny s ILE 235 Ca -0.02 -1.42 -0.31 0.00 0.00 0.00 0.00 60.65 58.90 1jny s ILE 235 Cb -0.12 -1.45 -0.09 0.00 0.01 0.00 0.00 42.46 40.81 1jny s ILE 235 CO -0.07 -0.76 1.49 -2.84 0.00 0.00 0.00 174.94 172.75 1jny s PRO 236 N 1.51 4.26 -0.10 2.79 0.02 -1.25 -0.94 135.00 141.29 1jny s PRO 236 Ca 0.12 2.24 -0.30 0.00 0.02 0.00 0.00 61.00 63.09 1jny s PRO 236 Cb -0.19 -3.19 -0.02 0.00 0.02 0.00 0.00 34.50 31.13 1jny s PRO 236 CO -0.22 -0.52 1.05 0.42 -0.33 0.00 0.00 177.00 177.39 1jny s ILE 237 N 1.04 4.68 -0.21 2.83 -1.09 0.96 -3.76 121.20 125.65 1jny s ILE 237 Ca 0.67 1.96 -0.04 0.00 -2.23 0.00 0.00 60.65 61.01 1jny s ILE 237 Cb -0.41 -4.26 -0.20 0.00 -1.58 0.00 0.00 42.46 36.01 1jny s ILE 237 CO 0.32 -0.00 -0.00 1.67 -1.23 0.00 0.00 174.94 175.69 1jny n GLN 238 N 5.08 0.68 -3.83 2.79 -0.06 0.13 -0.48 117.38 121.69 1jny n GLN 238 Ca 0.09 0.22 -0.09 0.00 -2.00 0.00 0.00 57.00 55.22 1jny n GLN 238 Cb 0.48 -1.60 -0.06 0.00 -4.06 0.00 0.00 30.24 25.00 1jny n GLN 238 CO 0.00 0.00 0.00 -0.51 -0.20 0.00 0.00 177.06 176.35 1jny s ASP 239 N -6.81 -0.01 -0.07 1.69 1.01 -1.00 -4.61 116.67 106.86 1jny s ASP 239 Ca -0.31 -0.63 -0.03 0.00 0.71 0.00 0.00 52.55 52.30 1jny s ASP 239 Cb 0.08 0.42 0.04 0.00 1.01 0.00 0.00 42.92 44.47 1jny s ASP 239 CO 0.65 -0.83 0.16 0.54 0.21 0.00 0.00 175.17 175.89 1jny s VAL 240 N -3.88 -0.12 0.37 -1.27 0.11 -1.26 0.09 120.40 114.44 1jny s VAL 240 Ca 0.08 0.24 0.06 0.00 -2.93 0.00 0.00 61.98 59.43 1jny s VAL 240 Cb 0.03 -0.27 -0.07 0.00 -1.53 0.00 0.00 36.38 34.54 1jny s VAL 240 CO -0.07 0.10 0.01 -0.31 -3.33 0.00 0.00 175.10 171.50 1jny s TYR 241 N 1.54 2.31 -0.40 1.54 2.02 -0.78 -4.96 117.35 118.62 1jny s TYR 241 Ca -0.05 -0.75 0.01 0.00 -0.37 0.00 0.00 57.07 55.91 1jny s TYR 241 Cb -0.12 -1.56 0.14 0.00 -0.40 0.00 0.00 41.96 40.02 1jny s TYR 241 CO -0.06 0.31 0.24 -1.54 -1.57 0.00 0.00 175.55 172.93 1jny s SER 242 N -3.62 3.17 0.01 2.29 1.04 -1.25 -0.74 113.70 114.59 1jny s SER 242 Ca 0.35 -2.48 -0.30 0.00 0.48 0.00 0.00 55.95 54.00 1jny s SER 242 Cb 0.09 -0.69 -0.05 0.00 0.10 0.00 0.00 66.02 65.47 1jny s SER 242 CO 0.17 -0.28 1.24 -0.63 0.98 0.00 0.00 173.24 174.72 1jny s ILE 243 N 0.64 4.03 0.14 -1.02 -1.09 -0.29 -4.86 121.20 118.74 1jny s ILE 243 Ca 0.19 1.42 -0.32 0.00 -2.23 0.00 0.00 60.65 59.71 1jny s ILE 243 Cb -0.21 -3.91 -0.12 0.00 -1.58 0.00 0.00 42.46 36.64 1jny s ILE 243 CO -0.01 0.05 1.73 -0.24 -1.23 0.00 0.00 174.94 175.24 1jny n SER 244 N 4.64 3.71 0.00 3.58 2.88 -1.26 -0.63 113.62 126.54 1jny n SER 244 Ca 0.10 1.03 0.00 0.00 -1.33 0.00 0.00 58.87 58.68 1jny n SER 244 Cb 0.46 -1.51 0.00 0.00 -0.75 0.00 0.00 64.21 62.41 1jny n SER 244 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1jny n GLY 245 N 3.94 2.90 0.10 0.46 0.00 -1.26 -4.76 105.19 106.56 1jny n GLY 245 Ca 0.18 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 46.05 1jny n GLY 245 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1jny n VAL 246 N -0.79 1.49 0.00 1.61 0.31 -0.42 -5.12 118.33 115.41 1jny n VAL 246 Ca 0.00 0.02 0.00 0.00 -0.01 0.00 0.00 64.34 64.35 1jny n VAL 246 Cb 0.00 -2.20 0.00 0.00 -0.91 0.00 0.00 33.84 30.73 1jny n VAL 246 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1jny n GLY 247 N 1.46 0.30 3.66 2.92 0.00 0.20 -4.96 105.19 108.77 1jny n GLY 247 Ca -0.24 -2.04 -0.43 0.00 0.00 0.00 0.00 46.02 43.31 1jny n GLY 247 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1jny s THR 248 N -0.26 4.37 -0.36 2.61 2.01 -1.26 -1.14 115.64 121.61 1jny s THR 248 Ca 0.00 1.65 -0.00 0.00 0.31 0.00 0.00 61.69 63.65 1jny s THR 248 Cb 0.00 -4.07 0.12 0.00 0.01 0.00 0.00 72.50 68.57 1jny s THR 248 CO 0.00 -0.14 0.18 0.54 -0.69 0.00 0.00 174.62 174.51 1jny s VAL 249 N 3.38 0.68 0.59 3.82 0.11 0.08 -1.63 120.40 127.42 1jny s VAL 249 Ca 0.52 -1.76 -0.16 0.00 -2.93 0.00 0.00 61.98 57.66 1jny s VAL 249 Cb -0.20 -1.50 -0.04 0.00 -1.53 0.00 0.00 36.38 33.11 1jny s VAL 249 CO 0.13 -0.85 1.05 -2.16 -3.33 0.00 0.00 175.10 169.94 1jny s PRO 250 N 1.13 3.38 -0.03 1.54 0.04 -1.16 -1.87 135.00 138.03 1jny s PRO 250 Ca 0.15 1.17 0.05 0.00 0.04 0.00 0.00 61.00 62.40 1jny s PRO 250 Cb -0.21 -2.04 -0.01 0.00 0.04 0.00 0.00 34.50 32.28 1jny s PRO 250 CO -0.11 -0.75 -0.16 0.08 0.04 0.00 0.00 177.00 176.10 1jny s VAL 251 N -2.49 1.30 0.00 -0.36 1.01 0.11 -1.71 120.40 118.26 1jny s VAL 251 Ca 0.63 -0.67 -0.29 0.00 0.00 0.00 0.00 61.98 61.64 1jny s VAL 251 Cb -0.15 -1.10 0.11 0.00 0.00 0.00 0.00 36.38 35.24 1jny s VAL 251 CO 0.37 0.37 1.26 -0.83 0.00 0.00 0.00 175.10 176.27 1jny s GLY 252 N -0.16 -0.33 -0.17 4.51 0.00 -0.12 0.17 107.32 111.21 1jny s GLY 252 Ca 0.01 0.50 -0.06 0.00 0.00 0.00 0.00 44.72 45.17 1jny s GLY 252 CO 0.01 1.15 0.04 -1.60 0.00 0.00 0.00 173.10 172.69 1jny s ARG 253 N -2.39 3.89 0.00 2.90 3.52 -1.25 -0.87 118.95 124.76 1jny s ARG 253 Ca 0.17 -0.38 -0.30 0.00 -0.13 0.00 0.00 55.73 55.09 1jny s ARG 253 Cb 0.03 -3.14 -0.06 0.00 -1.56 0.00 0.00 34.95 30.22 1jny s ARG 253 CO -0.03 0.28 1.57 0.08 -0.81 0.00 0.00 175.30 176.39 1jny s VAL 254 N 0.33 3.46 -0.19 7.11 1.01 -0.66 -3.95 120.40 127.51 1jny s VAL 254 Ca 0.02 0.77 0.16 0.00 0.00 0.00 0.00 61.98 62.93 1jny s VAL 254 Cb -0.13 -3.50 -0.24 0.00 0.00 0.00 0.00 36.38 32.51 1jny s VAL 254 CO 0.01 -0.03 0.12 -0.62 0.00 0.00 0.00 175.10 174.58 1jny n GLU 255 N 6.07 0.68 -3.68 2.72 -0.58 -0.09 -0.32 120.64 125.45 1jny n GLU 255 Ca 0.15 0.04 -0.10 0.00 -0.42 0.00 0.00 57.16 56.83 1jny n GLU 255 Cb 0.42 -1.55 -0.05 0.00 -0.57 0.00 0.00 31.44 29.69 1jny n GLU 255 CO 0.00 0.00 0.00 -1.54 -0.48 0.00 0.00 177.13 175.11 1jny s SER 256 N -5.65 -0.22 0.26 1.62 1.04 -1.18 -4.76 113.70 104.81 1jny s SER 256 Ca -0.11 -0.40 0.00 0.00 0.48 0.00 0.00 55.95 55.92 1jny s SER 256 Cb 0.06 0.49 0.00 0.00 0.10 0.00 0.00 66.02 66.68 1jny s SER 256 CO 0.81 -0.90 0.00 0.61 0.98 0.00 0.00 173.24 174.74 1jny n GLY 257 N -0.25 -1.43 2.84 7.32 0.00 0.08 -1.93 105.19 111.82 1jny n GLY 257 Ca -0.14 -1.27 -0.13 0.00 0.00 0.00 0.00 46.02 44.48 1jny n GLY 257 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1jny s VAL 258 N 0.00 -0.03 -0.11 1.61 1.01 -1.26 -3.66 120.40 117.96 1jny s VAL 258 Ca 0.00 0.11 -0.02 0.00 0.00 0.00 0.00 61.98 62.07 1jny s VAL 258 Cb 0.00 -0.07 -0.03 0.00 0.00 0.00 0.00 36.38 36.28 1jny s VAL 258 CO 0.00 0.05 -0.02 -0.22 0.00 0.00 0.00 175.10 174.91 1jny s LEU 259 N 0.58 3.45 0.02 3.92 2.96 -0.34 -4.88 118.68 124.39 1jny s LEU 259 Ca -0.05 0.04 0.03 0.00 -0.22 0.00 0.00 54.13 53.93 1jny s LEU 259 Cb -0.07 -1.80 -0.01 0.00 0.50 0.00 0.00 46.19 44.81 1jny s LEU 259 CO -0.02 0.31 -0.09 -0.75 -1.32 0.00 0.00 176.35 174.48 1jny s LYS 260 N -0.45 0.66 0.20 1.98 2.20 -1.26 0.34 119.74 123.41 1jny s LYS 260 Ca 0.08 -0.52 -0.32 0.00 -0.36 0.00 0.00 55.97 54.84 1jny s LYS 260 Cb -0.12 -0.59 -0.13 0.00 -1.51 0.00 0.00 37.83 35.48 1jny s LYS 260 CO 0.02 0.15 1.60 0.28 -0.36 0.00 0.00 175.35 177.04 1jny n VAL 261 N 2.25 0.27 0.00 4.02 0.31 0.15 -1.18 118.33 124.15 1jny n VAL 261 Ca -0.17 -0.07 0.00 0.00 -0.01 0.00 0.00 64.34 64.09 1jny n VAL 261 Cb 0.56 -1.73 0.00 0.00 -0.91 0.00 0.00 33.84 31.76 1jny n VAL 261 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1jny n GLY 262 N 3.24 2.95 3.70 2.92 0.00 0.15 -5.02 105.19 113.13 1jny n GLY 262 Ca 0.15 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.81 1jny n GLY 262 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1jny n ASP 263 N 0.00 1.62 -4.86 1.61 9.92 -0.32 -4.59 116.55 119.92 1jny n ASP 263 Ca 0.00 0.75 -0.37 0.00 -0.53 0.00 0.00 54.79 54.64 1jny n ASP 263 Cb 0.00 -1.52 -0.06 0.00 -0.64 0.00 0.00 41.12 38.90 1jny n ASP 263 CO 0.00 0.00 0.00 -0.54 0.13 0.00 0.00 177.20 176.79 1jny s LYS 264 N -3.52 3.68 0.05 -1.24 -0.14 -1.26 -0.97 119.74 116.34 1jny s LYS 264 Ca 0.79 0.12 0.01 0.00 -1.36 0.00 0.00 55.97 55.53 1jny s LYS 264 Cb -0.36 -3.18 -0.03 0.00 -1.68 0.00 0.00 37.83 32.59 1jny s LYS 264 CO 0.44 0.71 -0.05 0.96 -0.76 0.00 0.00 175.35 176.65 1jny s ILE 265 N -1.11 0.41 -0.05 2.17 -4.36 0.20 -4.28 121.20 114.18 1jny s ILE 265 Ca 0.21 -1.44 0.06 0.00 -0.26 0.00 0.00 60.65 59.22 1jny s ILE 265 Cb -0.14 -1.04 -0.01 0.00 1.25 0.00 0.00 42.46 42.52 1jny s ILE 265 CO 0.10 -0.69 -0.24 0.54 0.24 0.00 0.00 174.94 174.90 1jny s VAL 266 N -2.60 1.93 -0.27 8.37 0.11 -0.33 -0.66 120.40 126.95 1jny s VAL 266 Ca -0.01 -1.01 -0.11 0.00 -2.93 0.00 0.00 61.98 57.92 1jny s VAL 266 Cb -0.02 -1.63 -0.05 0.00 -1.53 0.00 0.00 36.38 33.15 1jny s VAL 266 CO -0.04 0.54 0.17 -0.36 -3.33 0.00 0.00 175.10 172.09 1jny s PHE 267 N -0.21 3.24 0.15 1.54 0.40 -0.07 -2.24 117.98 120.79 1jny s PHE 267 Ca -0.01 0.13 0.08 0.00 -0.60 0.00 0.00 56.93 56.52 1jny s PHE 267 Cb -0.13 -2.34 -0.04 0.00 0.51 0.00 0.00 43.02 41.03 1jny s PHE 267 CO 0.03 -0.10 -0.06 -1.64 0.70 0.00 0.00 175.22 174.15 1jny s MET 268 N 1.53 2.21 0.02 0.44 -1.94 -0.14 0.11 119.30 121.51 1jny s MET 268 Ca 0.07 -1.13 0.18 0.00 -1.71 0.00 0.00 55.69 53.10 1jny s MET 268 Cb -0.15 -2.28 0.76 0.00 2.01 0.00 0.00 34.83 35.17 1jny s MET 268 CO 0.09 0.47 1.57 -2.30 -0.01 0.00 0.00 175.02 174.83 1jny n PRO 269 N 0.19 0.01 -0.19 2.03 -0.02 -1.26 -1.03 135.00 134.74 1jny n PRO 269 Ca -0.11 0.21 0.10 0.00 -2.02 0.00 0.00 63.50 61.67 1jny n PRO 269 Cb 0.54 -1.52 0.40 0.00 -0.02 0.00 0.00 33.50 32.90 1jny n PRO 269 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1jny h ALA 270 N 2.59 1.83 -1.00 3.55 0.00 -1.81 -3.46 119.26 120.95 1jny h ALA 270 Ca 0.00 -0.01 -0.14 0.00 0.00 0.00 0.00 54.91 54.77 1jny h ALA 270 Cb 0.31 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 1jny h ALA 270 CO 0.00 0.01 -0.18 0.41 0.00 0.00 0.00 179.25 179.50 1jny n GLY 271 N -1.46 0.09 3.77 0.00 0.00 0.29 -5.02 105.19 102.86 1jny n GLY 271 Ca 0.13 -0.60 -0.36 0.00 0.00 0.00 0.00 46.02 45.19 1jny n GLY 271 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1jny s LYS 272 N -4.36 4.03 -0.09 1.61 -0.14 -1.05 -4.88 119.74 114.86 1jny s LYS 272 Ca 0.00 -0.14 -0.09 0.00 -1.36 0.00 0.00 55.97 54.38 1jny s LYS 272 Cb -0.00 -3.36 -0.04 0.00 -1.68 0.00 0.00 37.83 32.74 1jny s LYS 272 CO 0.00 0.41 0.22 0.08 -0.76 0.00 0.00 175.35 175.30 1jny s VAL 273 N 0.03 5.37 0.33 3.17 1.01 -1.26 -0.89 120.40 128.15 1jny s VAL 273 Ca 0.11 0.39 0.04 0.00 0.00 0.00 0.00 61.98 62.52 1jny s VAL 273 Cb -0.12 -3.49 -0.01 0.00 0.00 0.00 0.00 36.38 32.76 1jny s VAL 273 CO 0.01 0.60 0.36 0.61 0.00 0.00 0.00 175.10 176.67 1jny n GLY 274 N 2.04 2.61 3.14 4.51 0.00 0.17 -4.46 105.19 113.19 1jny n GLY 274 Ca -0.18 -1.77 -0.25 0.00 0.00 0.00 0.00 46.02 43.82 1jny n GLY 274 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1jny s GLU 275 N -3.07 1.55 -0.32 1.61 2.12 -0.48 -0.63 118.70 119.48 1jny s GLU 275 Ca 0.34 -0.59 -0.29 0.00 0.36 0.00 0.00 54.97 54.79 1jny s GLU 275 Cb 0.01 -1.41 0.01 0.00 0.26 0.00 0.00 34.13 33.00 1jny s GLU 275 CO 0.24 0.29 1.14 0.08 -0.54 0.00 0.00 175.26 176.47 1jny s VAL 276 N -0.14 4.40 -0.12 3.70 1.01 -0.14 -0.78 120.40 128.33 1jny s VAL 276 Ca 0.01 1.60 0.16 0.00 0.00 0.00 0.00 61.98 63.75 1jny s VAL 276 Cb -0.09 -4.35 -0.23 0.00 0.00 0.00 0.00 36.38 31.70 1jny s VAL 276 CO 0.01 -0.49 0.41 0.54 0.00 0.00 0.00 175.10 175.57 1jny n ARG 277 N 7.01 0.66 -3.54 2.72 5.12 0.65 0.30 116.66 129.58 1jny n ARG 277 Ca 0.13 0.13 -0.12 0.00 -1.93 0.00 0.00 57.85 56.05 1jny n ARG 277 Cb 0.47 -1.66 -0.04 0.00 -1.16 0.00 0.00 32.46 30.07 1jny n ARG 277 CO 0.00 0.00 0.00 -1.54 -1.93 0.00 0.00 177.63 174.16 1jny s SER 278 N -5.70 -0.42 0.00 0.55 1.04 -1.20 -4.80 113.70 103.17 1jny s SER 278 Ca -0.07 -0.04 0.00 0.00 0.48 0.00 0.00 55.95 56.32 1jny s SER 278 Cb 0.08 0.52 -0.00 0.00 0.10 0.00 0.00 66.02 66.72 1jny s SER 278 CO 0.83 -0.85 -0.01 -0.63 0.98 0.00 0.00 173.24 173.56 1jny s ILE 279 N -3.35 0.05 -0.12 -1.02 1.01 -1.25 -1.29 121.20 115.22 1jny s ILE 279 Ca -0.00 -0.13 -0.07 0.00 0.00 0.00 0.00 60.65 60.45 1jny s ILE 279 Cb 0.00 -0.07 0.05 0.00 0.01 0.00 0.00 42.46 42.45 1jny s ILE 279 CO -0.09 -0.05 0.30 -1.83 0.00 0.00 0.00 174.94 173.27 1jny s GLU 280 N -0.18 0.27 -0.16 2.79 -1.05 0.10 -0.55 118.70 119.91 1jny s GLU 280 Ca -0.02 0.60 0.01 0.00 -0.15 0.00 0.00 54.97 55.42 1jny s GLU 280 Cb -0.01 -0.08 0.01 0.00 -0.44 0.00 0.00 34.13 33.60 1jny s GLU 280 CO -0.00 -0.16 -0.19 0.99 0.95 0.00 0.00 175.26 176.85 1jny s THR 281 N 1.27 2.25 -1.09 1.83 2.01 -0.75 -1.59 115.64 119.57 1jny s THR 281 Ca -0.09 -0.90 -0.03 0.00 0.31 0.00 0.00 61.69 60.98 1jny s THR 281 Cb -0.09 -1.93 0.00 0.00 0.01 0.00 0.00 72.50 70.49 1jny s THR 281 CO -0.10 0.53 0.38 1.41 -0.69 0.00 0.00 174.62 176.16 1jny n HIS 282 N 4.28 -1.30 -1.29 4.92 8.25 -1.26 -2.37 115.22 126.45 1jny n HIS 282 Ca -0.20 0.33 -0.10 0.00 -0.26 0.00 0.00 57.72 57.49 1jny n HIS 282 Cb 0.51 -3.40 -0.04 0.00 1.12 0.00 0.00 29.99 28.18 1jny n HIS 282 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 1jny n HIS 283 N -4.11 0.00 -4.30 4.41 -0.00 -1.26 -4.99 115.22 104.97 1jny n HIS 283 Ca -0.09 0.00 -0.27 0.00 -0.00 0.00 0.00 57.72 57.37 1jny n HIS 283 Cb 0.59 -1.97 -0.17 0.00 -0.00 0.00 0.00 29.99 28.44 1jny n HIS 283 CO 0.00 0.00 0.00 0.95 -0.00 0.00 0.00 176.34 177.29 1jny s THR 284 N -2.31 1.22 0.37 1.59 -4.23 -1.00 -5.13 115.64 106.16 1jny s THR 284 Ca 0.00 -0.47 -0.27 0.00 -1.18 0.00 0.00 61.69 59.77 1jny s THR 284 Cb 0.00 -1.15 -0.10 0.00 1.34 0.00 0.00 72.50 72.59 1jny s THR 284 CO 0.00 0.39 1.31 -0.54 -0.54 0.00 0.00 174.62 175.24 1jny s LYS 285 N 1.13 4.16 0.16 3.99 1.02 -1.26 -1.80 119.74 127.14 1jny s LYS 285 Ca -0.05 2.19 0.06 0.00 0.02 0.00 0.00 55.97 58.19 1jny s LYS 285 Cb -0.14 -2.91 -0.04 0.00 -0.52 0.00 0.00 37.83 34.21 1jny s LYS 285 CO -0.02 -0.35 -0.12 -1.64 -0.92 0.00 0.00 175.35 172.30 1jny s MET 286 N -2.03 1.13 0.01 1.68 -1.94 0.29 -4.91 119.30 113.52 1jny s MET 286 Ca 0.53 -1.43 0.08 0.00 -1.71 0.00 0.00 55.69 53.16 1jny s MET 286 Cb -0.39 -0.85 -0.23 0.00 2.01 0.00 0.00 34.83 35.37 1jny s MET 286 CO 0.51 0.14 0.85 0.22 -0.01 0.00 0.00 175.02 176.73 1jny h ASP 287 N 2.93 0.06 -5.00 3.03 3.58 -1.96 -3.34 116.42 115.73 1jny h ASP 287 Ca -0.38 -0.10 -0.12 0.00 0.42 0.00 0.00 57.03 56.85 1jny h ASP 287 Cb 1.20 -0.02 -0.20 0.00 1.72 0.00 0.00 39.33 42.03 1jny h ASP 287 CO 0.59 1.09 -0.34 -1.59 -2.88 0.00 0.00 179.24 176.11 1jny s LYS 288 N -2.63 0.63 -0.04 0.28 -2.85 -1.26 -0.68 119.74 113.20 1jny s LYS 288 Ca -0.04 -0.31 0.06 0.00 -1.00 0.00 0.00 55.97 54.67 1jny s LYS 288 Cb 0.08 0.27 -0.02 0.00 -2.06 0.00 0.00 37.83 36.10 1jny s LYS 288 CO 0.82 -0.17 -0.20 0.00 0.10 0.00 0.00 175.35 175.90 1jny s ALA 289 N -1.55 2.41 0.41 0.59 0.00 0.15 -4.96 121.76 118.81 1jny s ALA 289 Ca -0.13 -1.05 0.07 0.00 0.00 0.00 0.00 51.96 50.86 1jny s ALA 289 Cb -0.05 -0.76 -0.08 0.00 0.00 0.00 0.00 23.12 22.23 1jny s ALA 289 CO 0.02 0.54 0.02 -1.21 0.00 0.00 0.00 175.76 175.14 1jny s GLU 290 N -0.67 1.98 0.14 0.00 2.02 -1.26 -1.20 118.70 119.71 1jny s GLU 290 Ca 0.11 -2.08 -0.34 0.00 0.02 0.00 0.00 54.97 52.67 1jny s GLU 290 Cb -0.10 -1.67 -0.16 0.00 0.10 0.00 0.00 34.13 32.30 1jny s GLU 290 CO -0.00 -0.05 1.28 -2.30 0.02 0.00 0.00 175.26 174.21 1jny n PRO 291 N -0.99 1.29 0.00 0.39 -0.02 -1.24 -1.49 135.00 132.94 1jny n PRO 291 Ca -0.05 0.46 0.00 0.00 -2.02 0.00 0.00 63.50 61.89 1jny n PRO 291 Cb 0.67 -2.05 0.00 0.00 -0.02 0.00 0.00 33.50 32.10 1jny n PRO 291 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1jny n GLY 292 N 2.34 2.82 3.67 -1.23 0.00 0.57 -5.00 105.19 108.35 1jny n GLY 292 Ca 0.16 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.75 1jny n GLY 292 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1jny s ASP 293 N -1.21 7.10 -0.41 1.61 1.01 -0.55 -4.84 116.67 119.39 1jny s ASP 293 Ca 0.00 1.47 -0.22 0.00 0.71 0.00 0.00 52.55 54.50 1jny s ASP 293 Cb 0.00 -2.54 0.02 0.00 1.01 0.00 0.00 42.92 41.40 1jny s ASP 293 CO 0.00 -0.64 0.75 0.21 0.21 0.00 0.00 175.17 175.70 1jny s ASN 294 N 1.30 6.45 0.23 0.27 3.04 -1.26 -1.66 114.94 123.31 1jny s ASN 294 Ca 0.47 0.04 0.06 0.00 0.04 0.00 0.00 52.86 53.47 1jny s ASN 294 Cb -0.17 -2.37 -0.05 0.00 -1.54 0.00 0.00 41.25 37.12 1jny s ASN 294 CO 0.10 -0.80 -0.09 0.27 -3.04 0.00 0.00 177.10 173.54 1jny s ILE 295 N 3.11 1.55 -0.06 -5.21 -4.36 -0.04 -4.53 121.20 111.66 1jny s ILE 295 Ca 0.29 -2.14 0.06 0.00 -0.26 0.00 0.00 60.65 58.59 1jny s ILE 295 Cb -0.13 -2.21 -0.01 0.00 1.25 0.00 0.00 42.46 41.35 1jny s ILE 295 CO 0.19 -0.47 -0.23 -0.83 0.24 0.00 0.00 174.94 173.84 1jny s GLY 296 N -3.35 1.33 -0.01 6.27 0.00 -0.62 -0.94 107.32 110.00 1jny s GLY 296 Ca 0.25 -1.04 0.00 0.00 0.00 0.00 0.00 44.72 43.94 1jny s GLY 296 CO 0.08 -0.66 -0.00 -0.11 0.00 0.00 0.00 173.10 172.41 1jny s PHE 297 N -0.24 0.16 -0.09 1.90 -0.71 -0.70 -0.72 117.98 117.59 1jny s PHE 297 Ca -0.01 0.02 -0.24 0.00 -1.04 0.00 0.00 56.93 55.65 1jny s PHE 297 Cb -0.13 -0.22 -0.03 0.00 -1.21 0.00 0.00 43.02 41.43 1jny s PHE 297 CO 0.03 -0.06 0.76 1.21 -1.34 0.00 0.00 175.22 175.82 1jny s ASN 298 N 0.53 7.00 -0.05 1.98 3.04 -0.41 -2.99 114.94 124.03 1jny s ASN 298 Ca -0.05 1.21 0.06 0.00 0.04 0.00 0.00 52.86 54.12 1jny s ASN 298 Cb -0.07 -2.43 -0.01 0.00 -1.54 0.00 0.00 41.25 37.19 1jny s ASN 298 CO -0.01 -0.21 -0.24 -0.69 -3.04 0.00 0.00 177.10 172.91 1jny s VAL 299 N 1.21 1.93 0.04 -5.21 1.01 -0.65 -0.25 120.40 118.49 1jny s VAL 299 Ca 0.39 -1.00 0.01 0.00 0.00 0.00 0.00 61.98 61.38 1jny s VAL 299 Cb -0.18 -1.64 -0.04 0.00 0.00 0.00 0.00 36.38 34.53 1jny s VAL 299 CO 0.17 0.54 0.11 -0.13 0.00 0.00 0.00 175.10 175.79 1jny s ARG 300 N -0.14 3.08 0.00 2.72 1.81 0.04 -4.33 118.95 122.14 1jny s ARG 300 Ca -0.03 -0.55 0.00 0.00 -1.72 0.00 0.00 55.73 53.42 1jny s ARG 300 Cb -0.13 -2.85 0.00 0.00 -0.45 0.00 0.00 34.95 31.51 1jny s ARG 300 CO 0.03 0.61 0.00 0.41 -0.68 0.00 0.00 175.30 175.67 1jny n GLY 301 N 0.69 1.16 3.29 -3.53 0.00 -1.26 -1.38 105.19 104.16 1jny n GLY 301 Ca -0.09 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.60 1jny n GLY 301 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1jny s VAL 302 N -2.63 2.53 -0.01 1.61 1.01 -1.26 -4.75 120.40 116.90 1jny s VAL 302 Ca 0.00 -0.85 -0.30 0.00 0.00 0.00 0.00 61.98 60.83 1jny s VAL 302 Cb 0.00 -2.02 -0.05 0.00 0.00 0.00 0.00 36.38 34.31 1jny s VAL 302 CO 0.00 0.54 1.31 -1.61 0.00 0.00 0.00 175.10 175.34 1jny s GLU 303 N 0.37 4.32 0.57 2.72 2.02 -1.26 -4.89 118.70 122.56 1jny s GLU 303 Ca -0.15 1.85 0.32 0.00 0.02 0.00 0.00 54.97 57.01 1jny s GLU 303 Cb -0.17 -3.54 1.42 0.00 0.10 0.00 0.00 34.13 31.95 1jny s GLU 303 CO 0.07 -0.50 1.76 -0.22 0.02 0.00 0.00 175.26 176.39 1jny h LYS 304 N 7.57 0.00 -0.79 1.61 3.64 -1.97 0.59 116.57 127.23 1jny h LYS 304 Ca -0.37 0.00 0.06 0.00 -1.27 0.00 0.00 60.65 59.07 1jny h LYS 304 Cb 1.18 0.00 -0.06 0.00 -0.41 0.00 0.00 32.23 32.94 1jny h LYS 304 CO 0.89 0.00 0.47 0.87 -2.27 0.00 0.00 179.45 179.41 1jny h LYS 305 N 0.00 0.83 0.00 1.90 6.56 -2.02 -0.99 116.57 122.85 1jny h LYS 305 Ca 0.41 -0.05 0.00 0.00 -1.06 0.00 0.00 60.65 59.95 1jny h LYS 305 Cb 1.93 -0.19 0.00 0.00 -0.57 0.00 0.00 32.23 33.40 1jny h LYS 305 CO -0.00 0.55 0.00 -0.25 -2.06 0.00 0.00 179.45 177.69 1jny n ASP 306 N -4.69 0.00 -3.88 0.86 8.00 0.21 -4.69 116.55 112.35 1jny n ASP 306 Ca 0.11 -1.68 -0.26 0.00 0.71 0.00 0.00 54.79 53.67 1jny n ASP 306 Cb 0.18 0.00 -0.17 0.00 -0.02 0.00 0.00 41.12 41.11 1jny n ASP 306 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1jny s ILE 307 N -2.00 0.93 0.06 0.53 1.01 -0.38 -4.64 121.20 116.71 1jny s ILE 307 Ca 0.03 -0.23 -0.00 0.00 0.00 0.00 0.00 60.65 60.45 1jny s ILE 307 Cb 0.01 -0.97 -0.04 0.00 0.01 0.00 0.00 42.46 41.47 1jny s ILE 307 CO 0.02 0.35 -0.04 -0.54 0.00 0.00 0.00 174.94 174.74 1jny s LYS 308 N 1.75 0.64 0.33 2.79 1.02 -1.26 -4.89 119.74 120.11 1jny s LYS 308 Ca 0.05 -1.21 -0.28 0.00 0.02 0.00 0.00 55.97 54.55 1jny s LYS 308 Cb -0.12 0.12 -0.12 0.00 -0.52 0.00 0.00 37.83 37.18 1jny s LYS 308 CO -0.08 -0.09 1.30 -2.13 -0.92 0.00 0.00 175.35 173.43 1jny n ARG 309 N 0.16 2.10 0.00 1.68 0.63 -1.26 -1.45 116.66 118.52 1jny n ARG 309 Ca -0.14 0.74 0.00 0.00 -0.92 0.00 0.00 57.85 57.53 1jny n ARG 309 Cb 0.61 -2.32 0.00 0.00 0.45 0.00 0.00 32.46 31.19 1jny n ARG 309 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1jny n GLY 310 N 0.96 3.43 3.74 5.14 0.00 0.36 -4.85 105.19 113.98 1jny n GLY 310 Ca 0.06 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.78 1jny n GLY 310 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1jny s ASP 311 N -0.98 3.43 -0.00 1.61 1.01 -0.53 -4.47 116.67 116.73 1jny s ASP 311 Ca 0.00 1.26 0.02 0.00 0.71 0.00 0.00 52.55 54.54 1jny s ASP 311 Cb 0.00 -1.93 -0.01 0.00 1.01 0.00 0.00 42.92 42.00 1jny s ASP 311 CO 0.00 -2.64 -0.07 -0.69 0.21 0.00 0.00 175.17 171.99 1jny s VAL 312 N -3.05 0.53 -0.06 -1.27 1.01 -0.20 -0.03 120.40 117.33 1jny s VAL 312 Ca 0.63 -0.30 -0.02 0.00 0.00 0.00 0.00 61.98 62.29 1jny s VAL 312 Cb -0.17 -0.45 -0.04 0.00 0.00 0.00 0.00 36.38 35.73 1jny s VAL 312 CO 0.56 0.14 0.04 -0.69 0.00 0.00 0.00 175.10 175.14 1jny s VAL 313 N -0.18 4.54 0.36 2.92 1.01 -0.12 -0.97 120.40 127.96 1jny s VAL 313 Ca 0.02 -0.27 -0.05 0.00 0.00 0.00 0.00 61.98 61.69 1jny s VAL 313 Cb -0.03 -2.97 0.02 0.00 0.00 0.00 0.00 36.38 33.40 1jny s VAL 313 CO -0.00 0.52 0.55 -0.83 0.00 0.00 0.00 175.10 175.34 1jny s GLY 314 N -1.18 1.30 0.33 4.51 0.00 -0.95 -0.24 107.32 111.09 1jny s GLY 314 Ca 0.16 -1.38 -0.16 0.00 0.00 0.00 0.00 44.72 43.34 1jny s GLY 314 CO 0.06 -0.86 0.76 0.30 0.00 0.00 0.00 173.10 173.36 1jny s HIS 315 N -2.80 3.39 0.48 1.90 3.76 -1.26 -1.19 115.29 119.58 1jny s HIS 315 Ca 0.27 1.29 0.29 0.00 -0.15 0.00 0.00 55.06 56.76 1jny s HIS 315 Cb -0.02 -2.58 1.38 0.00 1.11 0.00 0.00 32.58 32.47 1jny s HIS 315 CO 0.19 0.09 1.79 -1.35 -0.85 0.00 0.00 174.74 174.62 1jny h PRO 316 N 2.33 0.15 0.00 8.40 0.11 -1.88 -0.45 132.00 140.66 1jny h PRO 316 Ca -0.48 -0.01 -0.01 0.00 0.11 0.00 0.00 66.00 65.61 1jny h PRO 316 Cb 1.18 -0.03 -0.00 0.00 0.11 0.00 0.00 31.00 32.25 1jny h PRO 316 CO 0.65 0.10 -0.07 -0.91 -0.21 0.00 0.00 178.00 177.56 1jny h ASN 317 N 0.15 0.00 -2.08 -2.05 -0.26 -1.95 -3.35 115.58 106.04 1jny h ASN 317 Ca 0.58 0.00 -0.57 0.00 -0.56 0.00 0.00 56.30 55.74 1jny h ASN 317 Cb 1.96 0.00 -0.40 0.00 -1.06 0.00 0.00 38.32 38.81 1jny h ASN 317 CO -0.13 0.07 -0.91 0.59 -1.06 0.00 0.00 177.43 175.99 1jny n ASN 318 N -3.15 1.66 -4.77 5.81 3.02 -0.18 -5.12 115.26 112.54 1jny n ASN 318 Ca 0.02 -3.02 -0.39 0.00 -0.03 0.00 0.00 54.58 51.16 1jny n ASN 318 Cb 0.43 -0.65 -0.01 0.00 -0.61 0.00 0.00 39.78 38.95 1jny n ASN 318 CO 0.00 0.00 0.00 -2.84 -2.62 0.00 0.00 177.26 171.80 1jny s PRO 319 N -1.80 4.00 0.25 3.52 0.02 -1.21 -4.08 135.00 135.72 1jny s PRO 319 Ca 0.38 2.14 -0.31 0.00 0.02 0.00 0.00 61.00 63.23 1jny s PRO 319 Cb 0.18 -2.77 -0.13 0.00 0.02 0.00 0.00 34.50 31.79 1jny s PRO 319 CO -0.07 -0.46 1.47 -2.30 -0.33 0.00 0.00 177.00 175.31 1jny n PRO 320 N 0.17 2.24 -1.98 5.54 -0.02 -1.26 -4.91 135.00 134.78 1jny n PRO 320 Ca 0.03 0.80 -0.41 0.00 -2.02 0.00 0.00 63.50 61.90 1jny n PRO 320 Cb 0.44 -2.49 -0.02 0.00 -0.02 0.00 0.00 33.50 31.41 1jny n PRO 320 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 1jny s THR 321 N -0.01 2.51 -0.18 3.45 2.01 -1.26 -4.92 115.64 117.23 1jny s THR 321 Ca 0.67 0.46 -0.02 0.00 0.31 0.00 0.00 61.69 63.12 1jny s THR 321 Cb -0.60 -3.30 -0.01 0.00 0.01 0.00 0.00 72.50 68.60 1jny s THR 321 CO 0.49 0.09 -0.10 -0.69 -0.69 0.00 0.00 174.62 173.72 1jny s VAL 322 N -0.55 3.05 -0.17 3.82 1.01 -1.26 -2.13 120.40 124.17 1jny s VAL 322 Ca 0.55 -0.63 -0.20 0.00 0.00 0.00 0.00 61.98 61.70 1jny s VAL 322 Cb -0.43 -2.33 -0.03 0.00 0.00 0.00 0.00 36.38 33.59 1jny s VAL 322 CO 0.50 0.48 0.60 0.00 0.00 0.00 0.00 175.10 176.68 1jny s ALA 323 N 1.01 3.50 -0.01 5.51 0.00 0.37 -4.30 121.76 127.84 1jny s ALA 323 Ca -0.01 -0.22 -0.03 0.00 0.00 0.00 0.00 51.96 51.70 1jny s ALA 323 Cb -0.15 -2.89 -0.28 0.00 0.00 0.00 0.00 23.12 19.81 1jny s ALA 323 CO -0.01 -0.38 0.80 0.22 0.00 0.00 0.00 175.76 176.38 1jny h ASP 324 N 7.25 0.39 -4.76 0.00 3.58 -0.85 -3.39 116.42 118.64 1jny h ASP 324 Ca -0.35 -0.57 -0.08 0.00 0.42 0.00 0.00 57.03 56.46 1jny h ASP 324 Cb 1.16 -0.13 -0.20 0.00 1.72 0.00 0.00 39.33 41.88 1jny h ASP 324 CO 0.76 1.48 0.02 -0.70 -2.88 0.00 0.00 179.24 177.92 1jny s GLU 325 N -2.61 0.87 0.02 0.28 2.12 -1.03 -4.23 118.70 114.13 1jny s GLU 325 Ca -0.10 0.27 -0.04 0.00 0.36 0.00 0.00 54.97 55.47 1jny s GLU 325 Cb 0.07 0.41 -0.01 0.00 0.26 0.00 0.00 34.13 34.86 1jny s GLU 325 CO 0.85 -0.24 0.05 -0.59 -0.54 0.00 0.00 175.26 174.79 1jny s PHE 326 N -0.88 0.18 -0.10 5.30 -0.12 -0.63 -0.17 117.98 121.57 1jny s PHE 326 Ca -0.09 -0.41 -0.02 0.00 -0.05 0.00 0.00 56.93 56.36 1jny s PHE 326 Cb -0.02 -0.14 -0.03 0.00 -0.63 0.00 0.00 43.02 42.20 1jny s PHE 326 CO 0.06 -0.26 -0.01 0.99 -0.05 0.00 0.00 175.22 175.95 1jny s THR 327 N -1.75 4.23 0.05 -4.49 2.01 0.39 -0.97 115.64 115.11 1jny s THR 327 Ca -0.13 -0.27 0.00 0.00 0.31 0.00 0.00 61.69 61.61 1jny s THR 327 Cb -0.07 -2.79 -0.03 0.00 0.01 0.00 0.00 72.50 69.62 1jny s THR 327 CO -0.01 0.58 -0.04 0.00 -0.69 0.00 0.00 174.62 174.46 1jny s ALA 328 N -0.66 0.45 -0.28 7.40 0.00 0.42 -0.69 121.76 128.39 1jny s ALA 328 Ca 0.11 -0.96 -0.09 0.00 0.00 0.00 0.00 51.96 51.01 1jny s ALA 328 Cb -0.12 0.19 -0.02 0.00 0.00 0.00 0.00 23.12 23.16 1jny s ALA 328 CO 0.02 -0.24 0.13 1.03 0.00 0.00 0.00 175.76 176.70 1jny s ARG 329 N -2.77 3.58 0.23 0.00 0.52 0.05 -0.86 118.95 119.69 1jny s ARG 329 Ca -0.02 -0.55 0.09 0.00 -0.52 0.00 0.00 55.73 54.73 1jny s ARG 329 Cb -0.01 -3.49 -0.05 0.00 0.52 0.00 0.00 34.95 31.92 1jny s ARG 329 CO -0.05 -0.28 -0.15 0.96 0.02 0.00 0.00 175.30 175.80 1jny s ILE 330 N 1.64 1.91 -0.12 1.52 -4.36 0.04 -0.86 121.20 120.98 1jny s ILE 330 Ca 0.06 -2.25 0.03 0.00 -0.26 0.00 0.00 60.65 58.23 1jny s ILE 330 Cb -0.16 -2.14 0.00 0.00 1.25 0.00 0.00 42.46 41.41 1jny s ILE 330 CO 0.06 -0.52 -0.23 -0.51 0.24 0.00 0.00 174.94 173.98 1jny s ILE 331 N -2.86 2.10 -0.66 8.37 1.10 -0.53 -1.35 121.20 127.37 1jny s ILE 331 Ca 0.25 -0.99 -0.22 0.00 -0.51 0.00 0.00 60.65 59.18 1jny s ILE 331 Cb -0.01 -1.82 0.08 0.00 0.15 0.00 0.00 42.46 40.86 1jny s ILE 331 CO 0.09 0.55 0.93 -0.69 -2.11 0.00 0.00 174.94 173.72 1jny s VAL 332 N 0.54 4.41 0.10 4.00 1.01 -0.18 -2.15 120.40 128.12 1jny s VAL 332 Ca -0.14 -0.49 -0.05 0.00 0.00 0.00 0.00 61.98 61.31 1jny s VAL 332 Cb -0.17 -4.66 -0.24 0.00 0.00 0.00 0.00 36.38 31.31 1jny s VAL 332 CO 0.04 -1.41 1.21 0.58 0.00 0.00 0.00 175.10 175.52 1jny h VAL 333 N 5.96 1.45 -2.69 2.92 2.07 -1.16 0.35 116.25 125.15 1jny h VAL 333 Ca -0.28 -2.78 -0.14 0.00 0.82 0.00 0.00 66.70 64.33 1jny h VAL 333 Cb 1.07 2.72 -0.28 0.00 -1.52 0.00 0.00 31.29 33.28 1jny h VAL 333 CO 1.17 0.82 -0.38 0.86 0.02 0.00 0.00 177.57 180.06 1jny s TRP 334 N -2.92 -0.59 -0.30 1.57 -0.00 -0.86 -4.68 118.94 111.16 1jny s TRP 334 Ca -0.05 1.24 -0.12 0.00 -0.00 0.00 0.00 56.10 57.17 1jny s TRP 334 Cb 0.08 0.20 0.14 0.00 -0.00 0.00 0.00 33.47 33.89 1jny s TRP 334 CO 0.88 -0.37 0.76 -1.58 -0.00 0.00 0.00 176.95 176.64 1jny s HIS 335 N 1.85 -1.13 0.42 5.86 2.46 -1.26 -4.23 115.29 119.26 1jny s HIS 335 Ca -0.06 1.97 0.25 0.00 0.47 0.00 0.00 55.06 57.69 1jny s HIS 335 Cb -0.10 0.68 1.37 0.00 -0.13 0.00 0.00 32.58 34.40 1jny s HIS 335 CO -0.12 -0.56 2.06 -1.00 -2.47 0.00 0.00 174.74 172.65 1jny h PRO 336 N 7.83 0.00 0.00 2.88 0.13 -2.01 -3.39 132.00 137.43 1jny h PRO 336 Ca -0.17 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.96 1jny h PRO 336 Cb 1.11 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.24 1jny h PRO 336 CO 0.09 0.13 0.00 0.25 -0.23 0.00 0.00 178.00 178.25 1jny n THR 337 N -3.77 0.00 -3.76 1.56 -2.24 -1.26 -5.09 114.28 99.72 1jny n THR 337 Ca -0.02 0.00 -0.13 0.00 -2.27 0.00 0.00 64.05 61.63 1jny n THR 337 Cb 0.24 0.00 -0.09 0.00 -2.10 0.00 0.00 70.33 68.38 1jny n THR 337 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1jny s ALA 338 N -2.00 -0.79 -0.11 6.98 0.00 -1.26 -4.65 121.76 119.93 1jny s ALA 338 Ca 0.00 0.43 -0.02 0.00 0.00 0.00 0.00 51.96 52.37 1jny s ALA 338 Cb 0.00 -0.03 -0.03 0.00 0.00 0.00 0.00 23.12 23.05 1jny s ALA 338 CO 0.00 -0.24 -0.01 -1.17 0.00 0.00 0.00 175.76 174.33 1jny s LEU 339 N -1.07 3.47 0.32 0.00 0.20 -0.32 -4.95 118.68 116.33 1jny s LEU 339 Ca -0.11 0.06 0.05 0.00 0.69 0.00 0.00 54.13 54.81 1jny s LEU 339 Cb -0.05 -1.80 -0.03 0.00 -0.43 0.00 0.00 46.19 43.88 1jny s LEU 339 CO 0.04 0.31 0.30 0.00 -0.29 0.00 0.00 176.35 176.71 1jny s ALA 340 N -0.50 1.59 0.40 5.97 0.00 -1.26 -0.53 121.76 127.43 1jny s ALA 340 Ca 0.08 -1.94 -0.27 0.00 0.00 0.00 0.00 51.96 49.84 1jny s ALA 340 Cb -0.12 1.41 -0.10 0.00 0.00 0.00 0.00 23.12 24.31 1jny s ALA 340 CO 0.02 -0.68 1.36 0.09 0.00 0.00 0.00 175.76 176.55 1jny n ASN 341 N -1.39 3.06 0.00 0.00 5.03 -1.26 -1.71 115.26 118.98 1jny n ASN 341 Ca 0.06 1.16 0.00 0.00 0.87 0.00 0.00 54.58 56.67 1jny n ASN 341 Cb 0.63 -1.55 0.00 0.00 -1.02 0.00 0.00 39.78 37.84 1jny n ASN 341 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1jny n GLY 342 N 0.67 3.47 3.69 7.41 0.00 -0.34 -5.01 105.19 115.08 1jny n GLY 342 Ca 0.05 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.62 1jny n GLY 342 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1jny n TYR 343 N -1.93 2.47 -3.47 1.61 9.36 -0.70 -4.60 117.16 119.90 1jny n TYR 343 Ca 0.00 0.14 -0.26 0.00 3.32 0.00 0.00 57.90 61.10 1jny n TYR 343 Cb 0.00 -2.61 -0.09 0.00 -0.63 0.00 0.00 39.34 36.01 1jny n TYR 343 CO 0.00 0.00 0.00 2.41 0.22 0.00 0.00 176.86 179.49 1jny n THR 344 N 3.79 0.99 -1.67 2.97 -1.04 -1.26 -0.25 114.28 117.80 1jny n THR 344 Ca 0.17 -4.61 -0.30 0.00 -2.04 0.00 0.00 64.05 57.27 1jny n THR 344 Cb 0.32 -2.03 0.19 0.00 -1.82 0.00 0.00 70.33 66.99 1jny n THR 344 CO 0.00 0.00 0.00 -2.16 -0.64 0.00 0.00 175.07 172.27 1jny s PRO 345 N -1.61 0.35 -0.25 -2.82 0.04 -1.22 -4.62 135.00 124.87 1jny s PRO 345 Ca 0.35 -0.20 -0.12 0.00 0.04 0.00 0.00 61.00 61.06 1jny s PRO 345 Cb 0.10 -1.79 -0.05 0.00 0.04 0.00 0.00 34.50 32.80 1jny s PRO 345 CO -0.10 -2.64 0.24 0.08 0.04 0.00 0.00 177.00 174.62 1jny s VAL 346 N -3.58 5.29 -0.16 -0.36 1.01 -0.94 -1.15 120.40 120.52 1jny s VAL 346 Ca 0.71 0.33 -0.12 0.00 0.00 0.00 0.00 61.98 62.90 1jny s VAL 346 Cb -0.07 -3.58 -0.05 0.00 0.00 0.00 0.00 36.38 32.68 1jny s VAL 346 CO 0.53 0.28 0.25 -0.76 0.00 0.00 0.00 175.10 175.40 1jny s LEU 347 N 1.40 4.27 -0.32 3.92 1.02 0.63 -0.17 118.68 129.42 1jny s LEU 347 Ca 0.11 0.47 -0.09 0.00 0.02 0.00 0.00 54.13 54.63 1jny s LEU 347 Cb -0.15 -2.29 0.00 0.00 0.02 0.00 0.00 46.19 43.78 1jny s LEU 347 CO 0.07 0.16 0.15 -1.00 0.02 0.00 0.00 176.35 175.76 1jny s HIS 348 N 0.19 3.19 -0.03 0.29 3.76 0.04 -1.36 115.29 121.38 1jny s HIS 348 Ca 0.15 -0.74 0.00 0.00 -0.15 0.00 0.00 55.06 54.32 1jny s HIS 348 Cb -0.13 -2.35 0.02 0.00 1.11 0.00 0.00 32.58 31.23 1jny s HIS 348 CO 0.03 -0.52 0.00 0.54 -0.85 0.00 0.00 174.74 173.94 1jny s VAL 349 N 1.58 0.15 0.00 -0.90 0.11 -0.70 -1.45 120.40 119.19 1jny s VAL 349 Ca 0.04 0.08 0.00 0.00 -2.93 0.00 0.00 61.98 59.17 1jny s VAL 349 Cb -0.18 -0.24 0.00 0.00 -1.53 0.00 0.00 36.38 34.43 1jny s VAL 349 CO 0.06 0.13 0.00 0.00 -3.33 0.00 0.00 175.10 171.96 1jny n HIS 350 N 4.04 0.00 1.30 1.54 1.44 -1.26 -0.39 115.22 121.89 1jny n HIS 350 Ca -0.26 0.00 0.13 0.00 -2.01 0.00 0.00 57.72 55.58 1jny n HIS 350 Cb 0.51 0.00 0.37 0.00 0.12 0.00 0.00 29.99 30.99 1jny n HIS 350 CO 0.00 0.00 0.00 0.25 -2.81 0.00 0.00 176.34 173.78 1jny n THR 351 N 0.00 0.01 -3.07 0.61 -2.24 -1.26 -4.95 114.28 103.37 1jny n THR 351 Ca 0.00 -0.35 -0.29 0.00 -2.27 0.00 0.00 64.05 61.14 1jny n THR 351 Cb 0.00 0.86 -0.03 0.00 -2.10 0.00 0.00 70.33 69.05 1jny n THR 351 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1jny s ALA 352 N -1.99 3.48 -0.31 6.98 0.00 0.48 -3.76 121.76 126.63 1jny s ALA 352 Ca 0.34 -0.37 -0.01 0.00 0.00 0.00 0.00 51.96 51.92 1jny s ALA 352 Cb 0.21 -2.52 0.13 0.00 0.00 0.00 0.00 23.12 20.94 1jny s ALA 352 CO 0.32 0.10 0.23 0.45 0.00 0.00 0.00 175.76 176.86 1jny s SER 353 N -3.18 2.47 -0.01 0.00 0.15 -1.25 -1.72 113.70 110.15 1jny s SER 353 Ca 0.48 -1.25 0.02 0.00 0.70 0.00 0.00 55.95 55.90 1jny s SER 353 Cb -0.10 0.08 -0.00 0.00 -1.71 0.00 0.00 66.02 64.28 1jny s SER 353 CO 0.31 -0.38 -0.07 -0.69 1.20 0.00 0.00 173.24 173.61 1jny s VAL 354 N 1.98 0.60 0.20 4.45 1.01 -0.47 -4.92 120.40 123.26 1jny s VAL 354 Ca 0.11 -0.29 -0.30 0.00 0.00 0.00 0.00 61.98 61.50 1jny s VAL 354 Cb -0.16 -0.52 -0.09 0.00 0.00 0.00 0.00 36.38 35.61 1jny s VAL 354 CO -0.26 0.18 1.34 0.00 0.00 0.00 0.00 175.10 176.36 1jny s ALA 355 N 0.02 3.55 -0.07 5.51 0.00 -1.26 -0.27 121.76 129.25 1jny s ALA 355 Ca 0.00 1.15 0.01 0.00 0.00 0.00 0.00 51.96 53.12 1jny s ALA 355 Cb -0.05 -3.50 0.02 0.00 0.00 0.00 0.00 23.12 19.59 1jny s ALA 355 CO -0.00 -0.59 -0.06 0.00 0.00 0.00 0.00 175.76 175.11 1jny s ARG 357 N 1.13 4.42 -0.39 0.00 3.52 -0.36 -3.37 118.95 123.90 1jny s ARG 357 Ca -0.07 1.00 -0.28 0.00 -0.13 0.00 0.00 55.73 56.25 1jny s ARG 357 Cb -0.14 -3.48 -0.03 0.00 -1.56 0.00 0.00 34.95 29.74 1jny s ARG 357 CO -0.01 -0.05 1.90 0.08 -0.81 0.00 0.00 175.30 176.40 1jny s VAL 358 N 1.17 3.37 -0.22 7.11 1.01 0.65 -0.26 120.40 133.24 1jny s VAL 358 Ca 0.40 0.35 0.21 0.00 0.00 0.00 0.00 61.98 62.93 1jny s VAL 358 Cb -0.18 -3.59 -0.01 0.00 0.00 0.00 0.00 36.38 32.60 1jny s VAL 358 CO 0.18 -0.44 1.05 0.77 0.00 0.00 0.00 175.10 176.67 1jny h SER 359 N 13.99 0.00 -3.95 3.32 4.64 -0.64 -0.89 113.55 130.02 1jny h SER 359 Ca -0.32 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 60.96 1jny h SER 359 Cb 1.18 0.00 -0.21 0.00 -0.31 0.00 0.00 62.40 63.06 1jny h SER 359 CO 1.07 0.19 0.15 -0.70 -0.87 0.00 0.00 176.83 176.66 1jny s GLU 360 N -3.21 0.82 -0.75 4.77 2.12 -1.10 -4.90 118.70 116.45 1jny s GLU 360 Ca -0.00 0.98 -0.11 0.00 0.36 0.00 0.00 54.97 56.20 1jny s GLU 360 Cb 0.09 0.40 0.20 0.00 0.26 0.00 0.00 34.13 35.07 1jny s GLU 360 CO 0.78 -0.10 0.65 -0.51 -0.54 0.00 0.00 175.26 175.55 1jny s LEU 361 N 0.38 6.27 0.07 2.70 1.43 -1.26 -0.92 118.68 127.34 1jny s LEU 361 Ca 0.00 -2.70 -0.27 0.00 -1.03 0.00 0.00 54.13 50.13 1jny s LEU 361 Cb -0.05 -2.10 -0.17 0.00 0.03 0.00 0.00 46.19 43.90 1jny s LEU 361 CO 0.01 -0.52 1.60 0.58 0.23 0.00 0.00 176.35 178.25 1jny h VAL 362 N 4.99 0.76 -1.83 -1.59 2.07 -1.62 -3.33 116.25 115.70 1jny h VAL 362 Ca 0.05 -0.15 0.16 0.00 0.82 0.00 0.00 66.70 67.58 1jny h VAL 362 Cb 1.02 0.84 -0.18 0.00 -1.52 0.00 0.00 31.29 31.45 1jny h VAL 362 CO 0.75 0.03 0.63 -0.94 0.02 0.00 0.00 177.57 178.06 1jny s SER 363 N -4.94 -0.28 0.07 0.57 1.04 -1.07 -0.53 113.70 108.57 1jny s SER 363 Ca -0.15 0.08 -0.09 0.00 0.48 0.00 0.00 55.95 56.27 1jny s SER 363 Cb 0.04 0.28 -0.06 0.00 0.10 0.00 0.00 66.02 66.38 1jny s SER 363 CO 0.63 -0.42 0.38 -0.54 0.98 0.00 0.00 173.24 174.27 1jny s LYS 364 N -2.42 3.73 0.19 4.02 1.02 -0.05 -0.77 119.74 125.47 1jny s LYS 364 Ca 0.05 0.12 0.07 0.00 0.02 0.00 0.00 55.97 56.24 1jny s LYS 364 Cb -0.01 -3.01 -0.04 0.00 -0.52 0.00 0.00 37.83 34.26 1jny s LYS 364 CO -0.06 0.57 0.07 -0.51 -0.92 0.00 0.00 175.35 174.50 1jny s LEU 365 N -1.91 3.52 -0.15 3.17 1.02 0.41 -0.26 118.68 124.47 1jny s LEU 365 Ca 0.32 -0.32 -0.29 0.00 0.02 0.00 0.00 54.13 53.86 1jny s LEU 365 Cb -0.14 -2.13 -0.01 0.00 0.02 0.00 0.00 46.19 43.93 1jny s LEU 365 CO 0.18 0.06 1.18 -0.62 0.02 0.00 0.00 176.35 177.16 1jny s ASP 366 N -3.18 7.03 0.59 2.29 -1.08 1.00 -4.49 116.67 118.83 1jny s ASP 366 Ca 0.30 1.63 0.30 0.00 -0.52 0.00 0.00 52.55 54.25 1jny s ASP 366 Cb -0.09 -2.54 1.84 0.00 -1.46 0.00 0.00 42.92 40.66 1jny s ASP 366 CO 0.21 -0.68 2.26 1.55 0.52 0.00 0.00 175.17 179.03 1jny h PRO 367 N 7.78 0.00 0.00 4.34 0.13 -1.91 0.10 132.00 142.44 1jny h PRO 367 Ca -0.27 0.00 -0.21 0.00 -0.87 0.00 0.00 66.00 64.66 1jny h PRO 367 Cb 1.11 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.20 1jny h PRO 367 CO 0.95 0.00 -1.45 0.00 -0.23 0.00 0.00 178.00 177.27 1jny h ARG 368 N 0.00 0.00 0.00 0.86 3.08 -1.91 -2.43 114.38 113.97 1jny h ARG 368 Ca -0.00 0.00 -0.11 0.00 0.07 0.00 0.00 59.98 59.94 1jny h ARG 368 Cb 0.00 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.03 1jny h ARG 368 CO 0.00 0.40 -1.42 0.25 -1.07 0.00 0.00 179.97 178.13 1jny n THR 369 N -2.98 0.42 0.00 2.04 -2.24 -1.00 0.53 114.28 111.06 1jny n THR 369 Ca -0.11 -0.16 0.00 0.00 -2.27 0.00 0.00 64.05 61.51 1jny n THR 369 Cb 0.91 -0.83 0.00 0.00 -2.10 0.00 0.00 70.33 68.31 1jny n THR 369 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1jny n GLY 370 N 3.10 0.53 3.90 3.38 0.00 0.33 -4.85 105.19 111.57 1jny n GLY 370 Ca -0.13 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.60 1jny n GLY 370 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1jny s GLN 371 N -0.77 3.61 0.32 1.61 -2.07 -1.26 -4.67 119.66 116.42 1jny s GLN 371 Ca 0.00 0.31 -0.29 0.00 -1.82 0.00 0.00 55.36 53.56 1jny s GLN 371 Cb 0.00 -2.35 -0.12 0.00 -1.09 0.00 0.00 33.01 29.45 1jny s GLN 371 CO 0.00 -0.19 1.49 -1.91 -1.32 0.00 0.00 175.29 173.35 1jny n GLU 372 N -2.06 2.51 -0.05 9.60 0.00 -1.26 -0.00 120.64 129.37 1jny n GLU 372 Ca 0.01 0.89 -0.08 0.00 0.00 0.00 0.00 57.16 57.98 1jny n GLU 372 Cb 0.55 -2.60 -0.05 0.00 0.00 0.00 0.00 31.44 29.34 1jny n GLU 372 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1jny n ALA 373 N 1.28 1.89 -3.71 4.31 0.00 0.63 -4.69 120.51 120.22 1jny n ALA 373 Ca 0.06 -0.45 -0.11 0.00 0.00 0.00 0.00 53.44 52.94 1jny n ALA 373 Cb 0.37 0.28 -0.12 0.00 0.00 0.00 0.00 19.45 19.98 1jny n ALA 373 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 1jny s GLU 374 N -2.21 0.29 0.06 0.00 2.12 -1.14 -4.99 118.70 112.83 1jny s GLU 374 Ca -0.15 0.69 -0.25 0.00 0.36 0.00 0.00 54.97 55.62 1jny s GLU 374 Cb 0.04 -0.05 -0.06 0.00 0.26 0.00 0.00 34.13 34.33 1jny s GLU 374 CO 0.23 -0.17 0.78 0.15 -0.54 0.00 0.00 175.26 175.71 1jny s LYS 375 N 1.47 4.51 -1.12 4.30 1.02 -1.26 -0.87 119.74 127.79 1jny s LYS 375 Ca -0.08 1.09 -0.18 0.00 0.02 0.00 0.00 55.97 56.81 1jny s LYS 375 Cb -0.10 -3.36 -0.02 0.00 -0.52 0.00 0.00 37.83 33.84 1jny s LYS 375 CO -0.11 0.30 0.82 0.09 -0.92 0.00 0.00 175.35 175.52 1jny n ASN 376 N 2.74 -5.60 -4.75 2.83 3.02 0.31 -4.91 115.26 108.90 1jny n ASN 376 Ca -0.02 -0.96 -0.38 0.00 -0.03 0.00 0.00 54.58 53.19 1jny n ASN 376 Cb 0.50 -3.69 0.04 0.00 -0.61 0.00 0.00 39.78 36.02 1jny n ASN 376 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 1jny s PRO 377 N -5.68 3.13 0.31 3.52 0.04 -1.25 -4.88 135.00 130.19 1jny s PRO 377 Ca 0.47 2.22 0.12 0.00 0.04 0.00 0.00 61.00 63.85 1jny s PRO 377 Cb -0.15 -2.25 0.49 0.00 0.04 0.00 0.00 34.50 32.63 1jny s PRO 377 CO 0.84 -1.19 1.69 1.96 0.04 0.00 0.00 177.00 180.34 1jny h GLN 378 N 1.44 0.00 -2.95 4.56 7.50 -1.92 -3.45 115.11 120.29 1jny h GLN 378 Ca -0.51 0.00 0.04 0.00 0.50 0.00 0.00 58.65 58.69 1jny h GLN 378 Cb 1.30 0.00 -0.08 0.00 0.05 0.00 0.00 27.48 28.75 1jny h GLN 378 CO 0.57 0.53 0.24 -0.59 -1.50 0.00 0.00 178.83 178.08 1jny s PHE 379 N -3.79 -0.32 0.15 2.96 -0.12 -1.26 -4.61 117.98 110.99 1jny s PHE 379 Ca -0.02 -0.04 0.11 0.00 -0.05 0.00 0.00 56.93 56.93 1jny s PHE 379 Cb 0.13 0.65 -0.04 0.00 -0.63 0.00 0.00 43.02 43.13 1jny s PHE 379 CO 0.75 -1.06 -0.24 -0.51 -0.05 0.00 0.00 175.22 174.11 1jny s LEU 380 N -2.85 2.44 0.27 -1.99 1.43 0.30 -4.95 118.68 113.34 1jny s LEU 380 Ca 0.07 -0.75 0.06 0.00 -1.03 0.00 0.00 54.13 52.49 1jny s LEU 380 Cb -0.04 -1.27 -0.06 0.00 0.03 0.00 0.00 46.19 44.85 1jny s LEU 380 CO -0.01 0.16 -0.05 -0.54 0.23 0.00 0.00 176.35 176.14 1jny s LYS 381 N -2.30 1.52 0.16 1.70 1.02 -1.26 -1.17 119.74 119.41 1jny s LYS 381 Ca 0.17 -1.77 -0.34 0.00 0.02 0.00 0.00 55.97 54.05 1jny s LYS 381 Cb -0.09 -1.10 -0.15 0.00 -0.52 0.00 0.00 37.83 35.97 1jny s LYS 381 CO 0.08 0.03 1.44 0.94 -0.92 0.00 0.00 175.35 176.92 1jny n GLN 382 N -0.56 1.78 0.00 1.68 7.27 -1.26 -1.52 117.38 124.77 1jny n GLN 382 Ca -0.05 0.64 0.00 0.00 0.07 0.00 0.00 57.00 57.66 1jny n GLN 382 Cb 0.63 -2.33 0.00 0.00 2.41 0.00 0.00 30.24 30.96 1jny n GLN 382 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1jny n GLY 383 N 2.77 3.32 3.77 1.69 0.00 0.12 -5.03 105.19 111.84 1jny n GLY 383 Ca 0.16 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.81 1jny n GLY 383 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1jny s ASP 384 N -0.95 6.00 -0.06 1.61 1.01 -0.57 -4.76 116.67 118.95 1jny s ASP 384 Ca 0.00 2.36 0.06 0.00 0.71 0.00 0.00 52.55 55.68 1jny s ASP 384 Cb 0.00 -2.61 -0.01 0.00 1.01 0.00 0.00 42.92 41.31 1jny s ASP 384 CO 0.00 -1.04 -0.23 -0.69 0.21 0.00 0.00 175.17 173.42 1jny s VAL 385 N -1.53 2.26 0.24 -1.27 1.01 -1.26 -1.01 120.40 118.83 1jny s VAL 385 Ca 0.65 -1.00 -0.20 0.00 0.00 0.00 0.00 61.98 61.43 1jny s VAL 385 Cb -0.30 -1.83 0.03 0.00 0.00 0.00 0.00 36.38 34.28 1jny s VAL 385 CO 0.36 0.57 0.65 0.00 0.00 0.00 0.00 175.10 176.68 1jny s ALA 386 N -0.26 -1.21 -0.24 5.51 0.00 -0.46 -0.44 121.76 124.66 1jny s ALA 386 Ca -0.00 -0.14 -0.09 0.00 0.00 0.00 0.00 51.96 51.73 1jny s ALA 386 Cb -0.13 0.87 -0.04 0.00 0.00 0.00 0.00 23.12 23.82 1jny s ALA 386 CO 0.03 -0.93 0.13 0.42 0.00 0.00 0.00 175.76 175.41 1jny s ILE 387 N -3.88 4.98 0.04 0.00 1.01 0.05 -0.78 121.20 122.63 1jny s ILE 387 Ca 0.09 0.05 0.03 0.00 0.00 0.00 0.00 60.65 60.82 1jny s ILE 387 Cb -0.04 -3.33 -0.02 0.00 0.01 0.00 0.00 42.46 39.08 1jny s ILE 387 CO 0.01 0.34 -0.10 -0.69 0.00 0.00 0.00 174.94 174.50 1jny s VAL 388 N 1.28 0.70 -0.09 2.92 1.01 -0.04 -1.48 120.40 124.70 1jny s VAL 388 Ca 0.06 -1.04 -0.01 0.00 0.00 0.00 0.00 61.98 60.99 1jny s VAL 388 Cb -0.14 -0.72 -0.03 0.00 0.00 0.00 0.00 36.38 35.48 1jny s VAL 388 CO 0.05 -0.27 -0.04 -0.54 0.00 0.00 0.00 175.10 174.30 1jny s LYS 389 N -1.44 2.98 0.07 2.72 1.02 -0.10 -0.44 119.74 124.54 1jny s LYS 389 Ca -0.06 -0.50 0.09 0.00 0.02 0.00 0.00 55.97 55.51 1jny s LYS 389 Cb -0.09 -2.70 -0.03 0.00 -0.52 0.00 0.00 37.83 34.49 1jny s LYS 389 CO 0.01 0.60 -0.24 -0.06 -0.92 0.00 0.00 175.35 174.74 1jny s PHE 390 N -0.63 2.11 -0.27 3.18 0.40 -0.14 0.12 117.98 122.75 1jny s PHE 390 Ca 0.10 -0.40 0.01 0.00 -0.60 0.00 0.00 56.93 56.05 1jny s PHE 390 Cb -0.12 -1.23 0.07 0.00 0.51 0.00 0.00 43.02 42.26 1jny s PHE 390 CO 0.02 0.16 -0.01 0.15 0.70 0.00 0.00 175.22 176.24 1jny s LYS 391 N -1.44 1.52 0.31 0.44 -0.14 0.64 -1.60 119.74 119.47 1jny s LYS 391 Ca 0.10 -1.24 -0.29 0.00 -1.36 0.00 0.00 55.97 53.19 1jny s LYS 391 Cb -0.10 -2.67 -0.12 0.00 -1.68 0.00 0.00 37.83 33.26 1jny s LYS 391 CO 0.03 -0.73 1.35 -2.30 -0.76 0.00 0.00 175.35 172.94 1jny n PRO 392 N 4.58 2.17 0.25 -1.68 -0.02 -1.26 -1.23 135.00 137.81 1jny n PRO 392 Ca -0.07 0.76 0.13 0.00 -2.02 0.00 0.00 63.50 62.30 1jny n PRO 392 Cb 0.43 -2.38 0.60 0.00 -0.02 0.00 0.00 33.50 32.12 1jny n PRO 392 CO 0.00 0.00 0.00 0.82 1.98 0.00 0.00 175.50 178.30 1jny h ILE 393 N 2.75 0.34 -3.83 4.25 1.08 -1.59 -3.44 117.51 117.06 1jny h ILE 393 Ca -0.46 -0.80 -0.10 0.00 -0.39 0.00 0.00 64.86 63.11 1jny h ILE 393 Cb 1.28 1.60 -0.15 0.00 -3.07 0.00 0.00 36.82 36.47 1jny h ILE 393 CO 0.67 0.12 -0.45 -1.59 -0.69 0.00 0.00 178.15 176.21 1jny s LYS 394 N -3.74 0.73 0.13 2.37 -2.85 -1.26 -5.09 119.74 110.03 1jny s LYS 394 Ca 0.00 -0.91 -0.34 0.00 -1.00 0.00 0.00 55.97 53.72 1jny s LYS 394 Cb 0.10 0.29 -0.16 0.00 -2.06 0.00 0.00 37.83 36.00 1jny s LYS 394 CO 0.59 -0.21 1.17 -2.30 0.10 0.00 0.00 175.35 174.70 1jny n PRO 395 N 0.24 0.99 -4.03 1.78 -0.02 -1.26 -4.98 135.00 127.72 1jny n PRO 395 Ca -0.16 0.35 -0.16 0.00 -2.02 0.00 0.00 63.50 61.51 1jny n PRO 395 Cb 0.61 -1.87 -0.15 0.00 -0.02 0.00 0.00 33.50 32.07 1jny n PRO 395 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 1jny s LEU 396 N 0.65 1.60 -0.14 2.45 2.96 -1.26 -4.89 118.68 120.05 1jny s LEU 396 Ca 0.78 -0.06 -0.20 0.00 -0.22 0.00 0.00 54.13 54.43 1jny s LEU 396 Cb -0.93 -0.23 -0.03 0.00 0.50 0.00 0.00 46.19 45.50 1jny s LEU 396 CO 0.51 -0.02 0.56 0.00 -1.32 0.00 0.00 176.35 176.09 1jny s VAL 398 N 1.17 0.08 0.21 0.00 -7.23 -0.91 -4.93 120.40 108.79 1jny s VAL 398 Ca 0.28 -0.65 0.02 0.00 -1.81 0.00 0.00 61.98 59.82 1jny s VAL 398 Cb -0.16 -1.14 -0.05 0.00 0.56 0.00 0.00 36.38 35.59 1jny s VAL 398 CO 0.12 -0.36 0.03 -1.61 -0.31 0.00 0.00 175.10 172.97 1jny s GLU 399 N -3.52 1.25 0.20 4.82 0.41 -1.02 -4.35 118.70 116.49 1jny s GLU 399 Ca 0.01 -1.63 -0.30 0.00 -0.41 0.00 0.00 54.97 52.64 1jny s GLU 399 Cb 0.02 -0.32 -0.09 0.00 -1.78 0.00 0.00 34.13 31.96 1jny s GLU 399 CO -0.10 -0.18 1.25 0.15 -0.49 0.00 0.00 175.26 175.89 1jny s LYS 400 N -3.95 4.44 0.36 1.61 1.02 -1.26 -4.00 119.74 117.97 1jny s LYS 400 Ca 0.29 1.97 0.11 0.00 0.02 0.00 0.00 55.97 58.36 1jny s LYS 400 Cb 0.07 -3.21 0.87 0.00 -0.52 0.00 0.00 37.83 35.04 1jny s LYS 400 CO 0.08 -0.15 1.85 -0.92 -0.92 0.00 0.00 175.35 175.28 1jny h TYR 401 N 5.13 0.80 0.00 3.18 3.20 -1.10 -0.21 116.97 127.97 1jny h TYR 401 Ca -0.45 0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.44 1jny h TYR 401 Cb 1.21 -0.25 0.00 0.00 1.54 0.00 0.00 36.73 39.24 1jny h TYR 401 CO 0.62 0.25 0.00 0.27 -1.64 0.00 0.00 178.16 177.66 1jny n ASN 402 N -4.59 0.00 -0.09 -2.11 0.23 -1.26 -2.22 115.26 105.22 1jny n ASN 402 Ca 0.19 -0.27 -0.18 0.00 -0.53 0.00 0.00 54.58 53.79 1jny n ASN 402 Cb 0.55 -0.20 -0.06 0.00 -2.08 0.00 0.00 39.78 37.99 1jny n ASN 402 CO 0.00 0.00 0.00 -0.62 -0.93 0.00 0.00 177.26 175.71 1jny n GLU 403 N -1.20 0.41 -3.62 -3.83 1.02 -0.15 -4.85 120.64 108.42 1jny n GLU 403 Ca 0.13 0.18 -0.28 0.00 -0.02 0.00 0.00 57.16 57.17 1jny n GLU 403 Cb 0.15 -1.19 -0.11 0.00 -0.02 0.00 0.00 31.44 30.27 1jny n GLU 403 CO 0.00 0.00 0.00 -0.06 1.18 0.00 0.00 177.13 178.25 1jny s PHE 404 N -2.41 2.01 0.25 -0.32 0.08 -0.85 -5.01 117.98 111.72 1jny s PHE 404 Ca -0.26 -2.61 -0.11 0.00 0.12 0.00 0.00 56.93 54.07 1jny s PHE 404 Cb 0.09 -1.67 0.36 0.00 -0.57 0.00 0.00 43.02 41.23 1jny s PHE 404 CO 0.34 -0.73 1.58 -1.35 -0.10 0.00 0.00 175.22 174.95 1jny h PRO 405 N 5.89 -0.01 -0.00 0.24 0.11 -1.66 -0.45 132.00 136.12 1jny h PRO 405 Ca 0.16 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.27 1jny h PRO 405 Cb 0.87 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.98 1jny h PRO 405 CO 0.49 -0.01 0.03 -1.35 -0.21 0.00 0.00 178.00 176.95 1jny h PRO 406 N -0.01 0.00 -0.31 1.05 0.11 -1.95 -0.35 132.00 130.54 1jny h PRO 406 Ca 0.40 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.51 1jny h PRO 406 Cb 0.63 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.74 1jny h PRO 406 CO -0.90 0.00 0.00 1.28 -0.21 0.00 0.00 178.00 178.17 1jny n LEU 407 N -3.13 2.81 -0.14 2.35 4.32 -0.22 -4.02 117.00 118.97 1jny n LEU 407 Ca -0.03 -1.79 0.03 0.00 -0.02 0.00 0.00 56.01 54.20 1jny n LEU 407 Cb 0.10 -0.20 0.00 0.00 -1.62 0.00 0.00 43.42 41.70 1jny n LEU 407 CO 0.20 0.68 0.19 0.61 -1.22 0.00 0.00 177.39 177.85 1jny n GLY 408 N 0.64 -0.27 3.49 -0.72 0.00 -0.15 -2.43 105.19 105.75 1jny n GLY 408 Ca 0.12 -0.17 -0.33 0.00 0.00 0.00 0.00 46.02 45.64 1jny n GLY 408 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1jny s ARG 409 N -0.95 2.60 0.12 1.61 3.52 -1.20 -0.76 118.95 123.89 1jny s ARG 409 Ca 0.05 -0.66 -0.02 0.00 -0.13 0.00 0.00 55.73 54.96 1jny s ARG 409 Cb 0.05 -2.44 -0.03 0.00 -1.56 0.00 0.00 34.95 30.97 1jny s ARG 409 CO 0.14 0.61 0.08 -0.59 -0.81 0.00 0.00 175.30 174.73 1jny s PHE 410 N -0.70 0.71 -0.04 5.12 -0.12 -0.47 -4.39 117.98 118.10 1jny s PHE 410 Ca 0.11 -1.11 0.07 0.00 -0.05 0.00 0.00 56.93 55.94 1jny s PHE 410 Cb -0.11 -0.39 -0.02 0.00 -0.63 0.00 0.00 43.02 41.88 1jny s PHE 410 CO 0.01 -0.53 -0.25 0.00 -0.05 0.00 0.00 175.22 174.40 1jny s ALA 411 N -4.01 2.19 -0.27 1.99 0.00 -0.53 -0.60 121.76 120.53 1jny s ALA 411 Ca 0.19 -1.09 -0.15 0.00 0.00 0.00 0.00 51.96 50.92 1jny s ALA 411 Cb 0.07 -0.62 -0.04 0.00 0.00 0.00 0.00 23.12 22.53 1jny s ALA 411 CO -0.01 0.49 0.36 -1.64 0.00 0.00 0.00 175.76 174.96 1jny s MET 412 N -0.45 4.00 -0.02 0.00 -1.94 0.36 -0.78 119.30 120.47 1jny s MET 412 Ca 0.05 0.01 0.03 0.00 -1.71 0.00 0.00 55.69 54.07 1jny s MET 412 Cb -0.11 -3.66 -0.03 0.00 2.01 0.00 0.00 34.83 33.04 1jny s MET 412 CO 0.01 -0.28 -0.08 1.03 -0.01 0.00 0.00 175.02 175.69 1jny s ARG 413 N 2.05 2.58 -0.28 2.03 1.81 0.76 -0.25 118.95 127.65 1jny s ARG 413 Ca 0.14 -0.68 -0.17 0.00 -1.72 0.00 0.00 55.73 53.30 1jny s ARG 413 Cb -0.16 -2.49 0.09 0.00 -0.45 0.00 0.00 34.95 31.94 1jny s ARG 413 CO 0.10 0.62 0.76 0.34 -0.68 0.00 0.00 175.30 176.45 1jny s ASP 414 N -1.15 -0.82 -1.46 0.23 -1.08 -0.25 -2.21 116.67 109.93 1jny s ASP 414 Ca 0.15 1.34 -0.07 0.00 -0.52 0.00 0.00 52.55 53.44 1jny s ASP 414 Cb -0.11 1.34 0.03 0.00 -1.46 0.00 0.00 42.92 42.72 1jny s ASP 414 CO 0.05 -0.21 0.66 0.23 0.52 0.00 0.00 175.17 176.42 1jny n MET 415 N 4.01 -4.83 -1.14 4.34 2.81 -1.26 -1.13 117.12 119.92 1jny n MET 415 Ca -0.19 0.75 -0.05 0.00 -1.81 0.00 0.00 57.70 56.40 1jny n MET 415 Cb 0.58 -5.59 -0.02 0.00 -0.71 0.00 0.00 33.22 27.48 1jny n MET 415 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1jny n GLY 416 N -1.49 0.71 3.38 3.03 0.00 -1.26 -5.01 105.19 104.56 1jny n GLY 416 Ca -0.06 -0.33 -0.22 0.00 0.00 0.00 0.00 46.02 45.41 1jny n GLY 416 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1jny s LYS 417 N -1.90 1.41 -0.52 1.61 -0.14 -0.28 -5.09 119.74 114.82 1jny s LYS 417 Ca 0.00 -1.54 -0.20 0.00 -1.36 0.00 0.00 55.97 52.86 1jny s LYS 417 Cb 0.00 -1.46 0.06 0.00 -1.68 0.00 0.00 37.83 34.75 1jny s LYS 417 CO 0.00 0.28 0.70 0.99 -0.76 0.00 0.00 175.35 176.56 1jny s THR 418 N -2.30 4.76 0.03 2.17 2.01 -1.26 -1.09 115.64 119.96 1jny s THR 418 Ca 0.21 -0.37 0.14 0.00 0.31 0.00 0.00 61.69 61.98 1jny s THR 418 Cb -0.05 -4.37 0.01 0.00 0.01 0.00 0.00 72.50 68.11 1jny s THR 418 CO 0.09 -0.90 1.50 -0.37 -0.69 0.00 0.00 174.62 174.24 1jny h VAL 419 N 5.90 1.11 -2.53 3.82 -1.51 -0.79 -3.33 116.25 118.92 1jny h VAL 419 Ca -0.27 -2.30 0.12 0.00 -1.23 0.00 0.00 66.70 63.01 1jny h VAL 419 Cb 1.09 2.37 -0.09 0.00 -2.13 0.00 0.00 31.29 32.53 1jny h VAL 419 CO 1.00 0.58 0.41 -0.83 -1.23 0.00 0.00 177.57 177.50 1jny s GLY 420 N -4.49 -0.29 -0.01 5.19 0.00 -1.13 -0.66 107.32 105.93 1jny s GLY 420 Ca 0.02 0.24 0.04 0.00 0.00 0.00 0.00 44.72 45.02 1jny s GLY 420 CO 0.75 0.06 -0.12 0.14 0.00 0.00 0.00 173.10 173.93 1jny s VAL 421 N -3.43 0.99 0.06 1.40 1.01 -0.91 -0.49 120.40 119.03 1jny s VAL 421 Ca 0.09 -0.53 0.00 0.00 0.00 0.00 0.00 61.98 61.55 1jny s VAL 421 Cb -0.02 -0.83 -0.04 0.00 0.00 0.00 0.00 36.38 35.49 1jny s VAL 421 CO -0.01 0.28 -0.04 -0.83 0.00 0.00 0.00 175.10 174.50 1jny s GLY 422 N -0.23 0.56 -0.13 4.51 0.00 0.23 -1.46 107.32 110.80 1jny s GLY 422 Ca 0.04 -1.21 0.03 0.00 0.00 0.00 0.00 44.72 43.58 1jny s GLY 422 CO -0.00 -1.31 -0.22 -1.50 0.00 0.00 0.00 173.10 170.07 1jny s ILE 423 N -3.58 2.02 -0.25 0.90 1.10 -0.04 -1.36 121.20 119.99 1jny s ILE 423 Ca 0.07 -0.96 -0.28 0.00 -0.51 0.00 0.00 60.65 58.96 1jny s ILE 423 Cb 0.05 -1.78 0.01 0.00 0.15 0.00 0.00 42.46 40.89 1jny s ILE 423 CO -0.07 0.54 0.99 -0.63 -2.11 0.00 0.00 174.94 173.66 1jny s ILE 424 N 0.74 4.69 -0.62 2.00 1.01 0.06 -0.77 121.20 128.31 1jny s ILE 424 Ca -0.09 1.84 0.17 0.00 0.00 0.00 0.00 60.65 62.57 1jny s ILE 424 Cb -0.16 -4.28 -0.21 0.00 0.01 0.00 0.00 42.46 37.83 1jny s ILE 424 CO -0.00 -0.21 0.64 1.33 0.00 0.00 0.00 174.94 176.70 1jny n VAL 425 N 5.41 0.00 -3.59 2.92 0.24 0.13 -0.75 118.33 122.69 1jny n VAL 425 Ca 0.10 -0.17 -0.14 0.00 -2.04 0.00 0.00 64.34 62.09 1jny n VAL 425 Cb 0.47 0.79 -0.07 0.00 -1.47 0.00 0.00 33.84 33.56 1jny n VAL 425 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 1jny s ASP 426 N -2.94 -0.64 -0.05 -1.34 2.15 -1.12 -4.96 116.67 107.77 1jny s ASP 426 Ca 0.03 1.04 0.01 0.00 0.43 0.00 0.00 52.55 54.07 1jny s ASP 426 Cb 0.12 0.99 0.02 0.00 -0.30 0.00 0.00 42.92 43.75 1jny s ASP 426 CO 0.71 -0.36 -0.06 -0.69 -0.17 0.00 0.00 175.17 174.60 1jny s VAL 427 N -0.27 0.68 -0.47 1.11 1.01 -1.26 -0.46 120.40 120.74 1jny s VAL 427 Ca -0.03 -0.21 -0.15 0.00 0.00 0.00 0.00 61.98 61.59 1jny s VAL 427 Cb -0.03 -0.68 0.08 0.00 0.00 0.00 0.00 36.38 35.75 1jny s VAL 427 CO 0.03 0.26 0.39 -0.75 0.00 0.00 0.00 175.10 175.02 1jny s LYS 428 N 0.84 2.93 0.00 2.72 2.20 0.76 -5.00 119.74 124.19 1jny s LYS 428 Ca -0.12 -1.39 0.00 0.00 -0.36 0.00 0.00 55.97 54.10 1jny s LYS 428 Cb -0.15 -4.10 0.00 0.00 -1.51 0.00 0.00 37.83 32.07 1jny s LYS 428 CO 0.01 -1.04 0.42 -2.30 -0.36 0.00 0.00 175.35 172.08