#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jny s PRO 5 N 0.00 1.74 -0.09 1.97 0.04 -1.25 -4.59 135.00 132.83 1jny s PRO 5 Ca 0.00 1.44 0.00 0.00 0.04 0.00 0.00 61.00 62.49 1jny s PRO 5 Cb 0.00 -1.82 -0.03 0.00 0.04 0.00 0.00 34.50 32.70 1jny s PRO 5 CO 0.00 -2.07 -0.08 -1.58 0.04 0.00 0.00 177.00 173.31 1jny s HIS 6 N -2.61 2.91 0.10 0.56 2.46 -1.26 -1.59 115.29 115.87 1jny s HIS 6 Ca 0.66 -0.13 0.06 0.00 0.47 0.00 0.00 55.06 56.12 1jny s HIS 6 Cb -0.22 -1.76 -0.03 0.00 -0.13 0.00 0.00 32.58 30.44 1jny s HIS 6 CO 0.54 0.19 -0.15 -0.51 -2.47 0.00 0.00 174.74 172.34 1jny s LEU 7 N -0.47 2.35 -0.06 8.88 1.43 -0.70 -4.98 118.68 125.13 1jny s LEU 7 Ca 0.07 -0.73 0.04 0.00 -1.03 0.00 0.00 54.13 52.47 1jny s LEU 7 Cb -0.12 -0.58 -0.02 0.00 0.03 0.00 0.00 46.19 45.50 1jny s LEU 7 CO 0.02 -0.10 -0.16 0.20 0.23 0.00 0.00 176.35 176.54 1jny s ASN 8 N -2.16 3.82 0.14 2.29 0.01 -1.26 -1.95 114.94 115.83 1jny s ASN 8 Ca 0.05 -0.28 0.08 0.00 -0.71 0.00 0.00 52.86 52.00 1jny s ASN 8 Cb -0.07 -0.94 -0.04 0.00 0.41 0.00 0.00 41.25 40.61 1jny s ASN 8 CO 0.03 0.30 -0.18 -0.76 -1.51 0.00 0.00 177.10 174.98 1jny s LEU 9 N -0.45 2.40 -0.01 0.60 1.43 -0.09 -0.03 118.68 122.52 1jny s LEU 9 Ca 0.05 -0.81 0.07 0.00 -1.03 0.00 0.00 54.13 52.41 1jny s LEU 9 Cb -0.12 -0.76 -0.02 0.00 0.03 0.00 0.00 46.19 45.32 1jny s LEU 9 CO 0.02 -0.05 -0.21 0.27 0.23 0.00 0.00 176.35 176.61 1jny s ILE 10 N -1.88 1.66 -0.23 -0.59 -4.36 -1.15 -0.52 121.20 114.12 1jny s ILE 10 Ca 0.12 -0.91 -0.05 0.00 -0.26 0.00 0.00 60.65 59.55 1jny s ILE 10 Cb -0.06 -1.38 -0.02 0.00 1.25 0.00 0.00 42.46 42.25 1jny s ILE 10 CO 0.05 0.46 0.01 -0.69 0.24 0.00 0.00 174.94 175.01 1jny s VAL 11 N -0.50 3.83 0.39 8.37 1.01 -1.10 -2.09 120.40 130.31 1jny s VAL 11 Ca 0.08 -0.34 0.08 0.00 0.00 0.00 0.00 61.98 61.80 1jny s VAL 11 Cb -0.08 -2.77 -0.06 0.00 0.00 0.00 0.00 36.38 33.48 1jny s VAL 11 CO -0.01 0.39 0.10 0.27 0.00 0.00 0.00 175.10 175.85 1jny s ILE 12 N 1.51 2.39 0.00 2.22 -4.36 -0.37 -3.84 121.20 118.74 1jny s ILE 12 Ca 0.06 -1.83 0.00 0.00 -0.26 0.00 0.00 60.65 58.61 1jny s ILE 12 Cb -0.15 -2.93 0.00 0.00 1.25 0.00 0.00 42.46 40.63 1jny s ILE 12 CO 0.00 -0.07 0.00 0.61 0.24 0.00 0.00 174.94 175.72 1jny n GLY 13 N -1.10 1.00 3.84 6.27 0.00 -1.26 -0.74 105.19 113.21 1jny n GLY 13 Ca -0.03 -1.56 -0.32 0.00 0.00 0.00 0.00 46.02 44.11 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 -1.69 3.41 0.29 1.61 2.46 -1.26 -4.77 115.29 115.35 1jny s HIS 14 Ca 0.00 1.46 -0.30 0.00 0.47 0.00 0.00 55.06 56.69 1jny s HIS 14 Cb 0.00 -2.77 -0.13 0.00 -0.13 0.00 0.00 32.58 29.55 1jny s HIS 14 CO 0.00 -0.26 1.38 1.55 -2.47 0.00 0.00 174.74 174.94 1jny n VAL 15 N -1.27 1.45 -2.38 0.89 3.14 -1.26 -2.58 118.33 116.31 1jny n VAL 15 Ca 0.06 -0.36 -0.16 0.00 -2.96 0.00 0.00 64.34 60.92 1jny n VAL 15 Cb 0.54 -1.59 -0.00 0.00 -1.06 0.00 0.00 33.84 31.73 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 1.51 -4.78 -0.15 6.55 9.92 -1.26 -4.91 116.55 123.42 1jny n ASP 16 Ca 0.08 -0.05 0.11 0.00 -0.53 0.00 0.00 54.79 54.40 1jny n ASP 16 Cb 0.34 -3.87 -0.05 0.00 -0.64 0.00 0.00 41.12 36.91 1jny n ASP 16 CO 0.00 0.00 0.00 1.41 0.13 0.00 0.00 177.20 178.74 1jny n HIS 17 N -4.05 0.00 0.00 1.24 8.25 -1.07 -4.97 115.22 114.63 1jny n HIS 17 Ca -0.17 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.29 1jny n HIS 17 Cb 0.64 -0.02 0.00 0.00 1.12 0.00 0.00 29.99 31.72 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 1.47 1.62 0.29 -1.41 0.00 -1.26 -4.22 105.19 101.69 1jny n GLY 18 Ca 0.06 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.92 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 0.34 -0.64 0.00 1.61 1.57 -1.92 -0.59 116.57 116.93 1jny h LYS 19 Ca 0.00 0.04 -0.06 0.00 -1.87 0.00 0.00 60.65 58.76 1jny h LYS 19 Cb 0.00 0.15 -0.01 0.00 0.08 0.00 0.00 32.23 32.45 1jny h LYS 19 CO 0.00 -0.43 -0.29 0.66 -0.57 0.00 0.00 179.45 178.82 1jny h SER 20 N -0.67 0.00 -0.12 0.86 4.64 -1.98 -1.05 113.55 115.23 1jny h SER 20 Ca -0.06 0.00 -0.09 0.00 -0.47 0.00 0.00 61.79 61.17 1jny h SER 20 Cb 0.53 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.62 1jny h SER 20 CO 0.08 0.29 -0.26 0.74 -0.87 0.00 0.00 176.83 176.80 1jny h THR 21 N 0.00 1.38 -0.35 2.95 2.02 -1.93 -0.23 112.91 116.75 1jny h THR 21 Ca -0.00 -1.55 -0.02 0.00 0.77 0.00 0.00 66.41 65.61 1jny h THR 21 Cb 0.56 2.08 -0.02 0.00 -1.74 0.00 0.00 68.15 69.04 1jny h THR 21 CO 0.04 0.46 0.14 0.25 0.37 0.00 0.00 175.52 176.77 1jny h LEU 22 N -0.03 0.49 -0.65 2.58 6.46 -0.84 0.15 115.31 123.48 1jny h LEU 22 Ca 0.00 -0.17 -0.01 0.00 -0.12 0.00 0.00 57.88 57.59 1jny h LEU 22 Cb 0.86 -0.13 -0.03 0.00 -0.73 0.00 0.00 40.66 40.64 1jny h LEU 22 CO 0.06 0.52 0.38 0.58 -0.62 0.00 0.00 178.44 179.36 1jny h VAL 23 N 0.42 1.19 -0.55 1.05 2.07 -1.22 -1.12 116.25 118.09 1jny h VAL 23 Ca 0.12 -0.45 -0.00 0.00 0.82 0.00 0.00 66.70 67.18 1jny h VAL 23 Cb 0.19 0.32 -0.03 0.00 -1.52 0.00 0.00 31.29 30.25 1jny h VAL 23 CO -0.01 0.21 0.33 1.23 0.02 0.00 0.00 177.57 179.34 1jny h GLY 24 N 0.88 0.80 0.74 2.17 0.00 -0.47 -1.12 103.07 106.07 1jny h GLY 24 Ca 0.23 -0.34 0.02 0.00 0.00 0.00 0.00 47.33 47.24 1jny h GLY 24 CO -0.04 0.33 -0.11 -0.09 0.00 0.00 0.00 176.54 176.62 1jny h ARG 25 N 0.74 -0.19 -0.13 4.80 9.65 -0.07 0.27 114.38 129.45 1jny h ARG 25 Ca 0.20 0.01 0.02 0.00 -1.10 0.00 0.00 59.98 59.11 1jny h ARG 25 Cb -0.01 0.04 -0.02 0.00 -1.39 0.00 0.00 29.97 28.60 1jny h ARG 25 CO -0.04 -0.12 0.02 -0.07 2.80 0.00 0.00 179.97 182.56 1jny h LEU 26 N -0.19 -0.01 -1.08 3.80 3.38 -1.01 -0.13 115.31 120.05 1jny h LEU 26 Ca 0.04 0.02 -0.03 0.00 0.09 0.00 0.00 57.88 58.00 1jny h LEU 26 Cb 0.24 0.04 -0.03 0.00 0.09 0.00 0.00 40.66 40.99 1jny h LEU 26 CO -0.10 0.01 0.26 -0.07 0.09 0.00 0.00 178.44 178.63 1jny h LEU 27 N 0.07 0.83 -0.66 1.67 3.38 -0.90 0.21 115.31 119.91 1jny h LEU 27 Ca 0.06 -0.11 -0.11 0.00 0.09 0.00 0.00 57.88 57.81 1jny h LEU 27 Cb 0.06 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.58 1jny h LEU 27 CO -0.09 0.74 -0.19 -0.03 0.09 0.00 0.00 178.44 178.96 1jny h MET 28 N 0.90 0.85 0.12 1.13 4.05 -0.04 0.98 114.93 122.91 1jny h MET 28 Ca 0.21 -0.33 -0.32 0.00 -0.28 0.00 0.00 59.70 58.98 1jny h MET 28 Cb 0.16 -0.05 -0.01 0.00 -0.80 0.00 0.00 31.60 30.91 1jny h MET 28 CO -0.02 0.97 -1.69 -0.44 0.23 0.00 0.00 176.91 175.96 1jny h ASP 29 N 0.75 0.39 -0.01 1.39 3.32 -0.58 -3.41 116.42 118.26 1jny h ASP 29 Ca 0.11 -0.87 0.00 0.00 0.02 0.00 0.00 57.03 56.29 1jny h ASP 29 Cb 0.71 -0.13 0.00 0.00 0.22 0.00 0.00 39.33 40.13 1jny h ASP 29 CO 0.05 1.73 0.00 0.54 -1.72 0.00 0.00 179.24 179.85 1jny n ARG 30 N -3.75 1.49 -0.61 3.56 5.12 0.70 -5.06 116.66 118.11 1jny n ARG 30 Ca -0.29 -1.15 -0.05 0.00 -1.93 0.00 0.00 57.85 54.43 1jny n ARG 30 Cb 0.96 -1.02 0.03 0.00 -1.16 0.00 0.00 32.46 31.28 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 -0.25 -0.38 2.86 -0.13 0.00 0.34 -0.36 105.19 107.27 1jny n GLY 31 Ca 0.01 -1.80 -0.28 0.00 0.00 0.00 0.00 46.02 43.94 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 -2.05 3.89 -1.75 1.61 3.72 -1.24 -4.85 117.46 116.79 1jny n PHE 32 Ca 0.03 -3.77 -0.42 0.00 -0.05 0.00 0.00 57.45 53.24 1jny n PHE 32 Cb 0.11 -0.50 -0.03 0.00 -0.94 0.00 0.00 39.48 38.12 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 -4.61 2.23 0.00 4.37 1.09 -1.26 -4.79 121.20 118.23 1jny s ILE 33 Ca 0.48 0.07 0.00 0.00 -1.10 0.00 0.00 60.65 60.11 1jny s ILE 33 Cb 0.29 -3.05 0.00 0.00 -1.06 0.00 0.00 42.46 38.64 1jny s ILE 33 CO -0.15 0.00 0.00 -0.67 -0.10 0.00 0.00 174.94 174.03 1jny n ASP 34 N 4.46 0.00 -0.39 3.58 -0.08 -1.26 -4.84 116.55 118.03 1jny n ASP 34 Ca 0.16 0.00 0.01 0.00 -1.51 0.00 0.00 54.79 53.46 1jny n ASP 34 Cb 0.36 0.00 -0.01 0.00 2.34 0.00 0.00 41.12 43.81 1jny n ASP 34 CO 0.00 0.00 0.00 1.21 0.12 0.00 0.00 177.20 178.53 1jny n GLU 35 N -2.50 -0.97 0.00 -0.67 0.00 -1.26 -4.66 120.64 110.58 1jny n GLU 35 Ca 0.00 0.77 0.00 0.00 0.00 0.00 0.00 57.16 57.93 1jny n GLU 35 Cb 0.00 -1.00 0.00 0.00 0.00 0.00 0.00 31.44 30.44 1jny n GLU 35 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.13 177.49 1jny n LYS 36 N -2.05 0.00 0.09 5.31 -0.00 -1.26 -4.06 118.16 116.18 1jny n LYS 36 Ca -0.01 0.00 -0.12 0.00 -0.00 0.00 0.00 58.31 58.19 1jny n LYS 36 Cb 0.14 -1.28 -0.07 0.00 -0.00 0.00 0.00 35.03 33.82 1jny n LYS 36 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.40 178.55 1jny h THR 37 N 0.00 1.50 -0.48 0.58 2.02 -1.92 -0.02 112.91 114.59 1jny h THR 37 Ca 0.00 -2.80 0.03 0.00 0.77 0.00 0.00 66.41 64.40 1jny h THR 37 Cb 0.00 2.64 -0.03 0.00 -1.74 0.00 0.00 68.15 69.02 1jny h THR 37 CO 0.00 0.82 0.27 0.58 0.37 0.00 0.00 175.52 177.56 1jny h VAL 38 N 0.11 1.02 -0.54 3.16 2.07 -1.90 0.18 116.25 120.35 1jny h VAL 38 Ca -0.08 -0.18 -0.05 0.00 0.82 0.00 0.00 66.70 67.21 1jny h VAL 38 Cb 1.69 0.44 -0.02 0.00 -1.52 0.00 0.00 31.29 31.87 1jny h VAL 38 CO 0.16 0.10 0.12 0.11 0.02 0.00 0.00 177.57 178.07 1jny h LYS 39 N 0.54 0.83 -0.61 1.57 6.56 -1.73 0.41 116.57 124.13 1jny h LYS 39 Ca 0.20 -0.18 -0.09 0.00 -1.06 0.00 0.00 60.65 59.53 1jny h LYS 39 Cb 0.05 -0.12 -0.02 0.00 -0.57 0.00 0.00 32.23 31.56 1jny h LYS 39 CO -0.11 0.76 0.04 0.93 -2.06 0.00 0.00 179.45 179.02 1jny h GLU 40 N 0.80 1.04 -0.59 3.15 5.08 0.09 0.42 114.58 124.56 1jny h GLU 40 Ca 0.17 -0.30 -0.10 0.00 -1.00 0.00 0.00 59.36 58.14 1jny h GLU 40 Cb 0.31 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.43 1jny h GLU 40 CO 0.00 0.99 -0.02 0.00 -1.00 0.00 0.00 179.01 178.98 1jny h ALA 41 N 1.08 0.84 -0.57 3.43 0.00 -0.06 -0.57 119.26 123.42 1jny h ALA 41 Ca 0.18 -0.32 -0.10 0.00 0.00 0.00 0.00 54.91 54.68 1jny h ALA 41 Cb 0.49 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.04 1jny h ALA 41 CO 0.02 0.67 -0.03 0.93 0.00 0.00 0.00 179.25 180.84 1jny h GLU 42 N 0.96 1.01 -0.46 0.00 5.08 -0.40 -0.99 114.58 119.77 1jny h GLU 42 Ca 0.17 -0.33 -0.00 0.00 -1.00 0.00 0.00 59.36 58.20 1jny h GLU 42 Cb 0.58 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.71 1jny h GLU 42 CO 0.03 1.01 0.28 1.49 -1.00 0.00 0.00 179.01 180.82 1jny h GLU 43 N 0.92 0.62 -0.08 2.33 4.22 0.25 -0.92 114.58 121.93 1jny h GLU 43 Ca 0.16 -0.05 0.01 0.00 0.08 0.00 0.00 59.36 59.55 1jny h GLU 43 Cb 0.57 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.68 1jny h GLU 43 CO 0.03 0.44 0.03 0.00 -2.18 0.00 0.00 179.01 177.34 1jny h ALA 44 N 1.14 0.08 -0.79 2.92 0.00 -0.77 0.46 119.26 122.30 1jny h ALA 44 Ca 0.16 0.01 0.09 0.00 0.00 0.00 0.00 54.91 55.17 1jny h ALA 44 Cb -0.02 -0.00 -0.05 0.00 0.00 0.00 0.00 17.79 17.71 1jny h ALA 44 CO -0.03 -0.44 0.52 0.00 0.00 0.00 0.00 179.25 179.30 1jny h ALA 45 N 1.04 1.72 0.10 0.00 0.00 -0.81 -0.07 119.26 121.25 1jny h ALA 45 Ca 0.03 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 1jny h ALA 45 Cb 0.01 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.62 1jny h ALA 45 CO -0.03 0.13 -0.05 0.87 0.00 0.00 0.00 179.25 180.17 1jny h LYS 46 N 0.77 -0.13 -0.80 0.00 1.79 -0.64 -0.06 116.57 117.49 1jny h LYS 46 Ca 0.36 0.01 0.16 0.00 -2.18 0.00 0.00 60.65 59.00 1jny h LYS 46 Cb 0.38 0.03 -0.10 0.00 -1.58 0.00 0.00 32.23 30.96 1jny h LYS 46 CO -0.13 0.31 0.33 -0.22 -1.08 0.00 0.00 179.45 178.65 1jny h LYS 47 N -0.63 0.43 0.00 3.15 1.63 -0.24 -1.74 116.57 119.17 1jny h LYS 47 Ca -0.01 -0.03 0.00 0.00 -0.85 0.00 0.00 60.65 59.76 1jny h LYS 47 Cb 0.50 -0.10 0.00 0.00 -0.60 0.00 0.00 32.23 32.03 1jny h LYS 47 CO 0.02 0.28 -0.43 1.28 -3.45 0.00 0.00 179.45 177.15 1jny n LEU 48 N -5.01 0.47 0.00 5.20 4.32 -0.10 -4.95 117.00 116.92 1jny n LEU 48 Ca 0.17 0.15 0.00 0.00 -0.02 0.00 0.00 56.01 56.30 1jny n LEU 48 Cb 0.48 -0.28 0.00 0.00 -1.62 0.00 0.00 43.42 42.00 1jny n LEU 48 CO 0.17 0.06 0.00 0.61 -1.22 0.00 0.00 177.39 177.00 1jny n GLY 49 N 1.46 1.34 3.62 -0.72 0.00 -0.04 -4.90 105.19 105.95 1jny n GLY 49 Ca 0.05 -0.01 -0.43 0.00 0.00 0.00 0.00 46.02 45.64 1jny n GLY 49 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1jny s LYS 50 N 0.00 3.64 0.39 1.61 -2.85 -1.23 -4.86 119.74 116.45 1jny s LYS 50 Ca 0.00 1.41 0.28 0.00 -1.00 0.00 0.00 55.97 56.66 1jny s LYS 50 Cb 0.00 -4.06 1.20 0.00 -2.06 0.00 0.00 37.83 32.92 1jny s LYS 50 CO 0.00 -1.48 1.85 0.93 0.10 0.00 0.00 175.35 176.75 1jny h GLU 51 N 11.12 0.00 0.00 1.78 3.07 -1.91 -2.41 114.58 126.23 1jny h GLU 51 Ca -0.32 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.54 1jny h GLU 51 Cb 1.14 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.05 1jny h GLU 51 CO 1.03 0.00 0.00 -1.13 -1.40 0.00 0.00 179.01 177.51 1jny n SER 52 N -2.61 0.00 0.26 1.42 3.41 -1.26 -2.05 113.62 112.79 1jny n SER 52 Ca 0.01 0.41 0.15 0.00 -0.26 0.00 0.00 58.87 59.18 1jny n SER 52 Cb 0.24 -0.45 0.66 0.00 -0.26 0.00 0.00 64.21 64.41 1jny n SER 52 CO 0.00 0.00 0.00 -0.08 -0.16 0.00 0.00 175.04 174.80 1jny h GLU 53 N 0.00 0.00 -0.55 4.33 4.57 -1.78 -2.92 114.58 118.24 1jny h GLU 53 Ca 0.00 0.00 -0.10 0.00 -1.18 0.00 0.00 59.36 58.08 1jny h GLU 53 Cb 0.19 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 28.76 1jny h GLU 53 CO 0.00 0.08 -0.04 -0.22 -1.18 0.00 0.00 179.01 177.65 1jny h LYS 54 N 0.00 1.00 0.04 1.92 3.64 -1.56 -0.67 116.57 120.94 1jny h LYS 54 Ca -0.00 -0.34 -0.00 0.00 -1.27 0.00 0.00 60.65 59.04 1jny h LYS 54 Cb 0.52 -0.08 0.00 0.00 -0.41 0.00 0.00 32.23 32.26 1jny h LYS 54 CO 0.01 1.02 -0.02 0.35 -2.27 0.00 0.00 179.45 178.54 1jny h PHE 55 N 0.88 -0.05 -0.80 1.91 3.57 -1.73 -2.11 116.94 118.60 1jny h PHE 55 Ca 0.15 -0.00 0.10 0.00 3.53 0.00 0.00 57.97 61.75 1jny h PHE 55 Cb 0.59 0.02 -0.08 0.00 2.79 0.00 0.00 35.95 39.27 1jny h PHE 55 CO 0.04 0.36 0.44 0.00 -2.23 0.00 0.00 178.31 176.93 1jny h ALA 56 N 0.45 1.15 1.01 2.41 0.00 -1.51 0.14 119.26 122.91 1jny h ALA 56 Ca -0.01 0.05 -0.05 0.00 0.00 0.00 0.00 54.91 54.90 1jny h ALA 56 Cb 0.44 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 18.14 1jny h ALA 56 CO 0.01 0.03 -0.48 0.35 0.00 0.00 0.00 179.25 179.16 1jny h PHE 57 N 0.72 -1.25 -0.54 0.00 3.04 -1.07 -2.44 116.94 115.40 1jny h PHE 57 Ca 0.40 -0.03 0.10 0.00 3.98 0.00 0.00 57.97 62.42 1jny h PHE 57 Cb 0.41 0.41 -0.03 0.00 2.56 0.00 0.00 35.95 39.30 1jny h PHE 57 CO -0.08 -0.78 0.37 -0.07 -2.02 0.00 0.00 178.31 175.73 1jny h LEU 58 N -1.36 0.28 -0.15 0.59 3.38 -0.99 0.11 115.31 117.16 1jny h LEU 58 Ca -0.14 0.01 -0.03 0.00 0.09 0.00 0.00 57.88 57.81 1jny h LEU 58 Cb 1.04 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.73 1jny h LEU 58 CO 0.23 0.17 -0.01 0.25 0.09 0.00 0.00 178.44 179.16 1jny h LEU 59 N 0.31 0.27 -0.09 1.67 5.85 -0.60 -3.27 115.31 119.45 1jny h LEU 59 Ca 0.25 -0.32 -0.10 0.00 0.84 0.00 0.00 57.88 58.54 1jny h LEU 59 Cb 0.58 -0.07 0.00 0.00 0.37 0.00 0.00 40.66 41.54 1jny h LEU 59 CO -0.06 0.53 -0.35 0.44 -0.34 0.00 0.00 178.44 178.66 1jny h ASP 60 N 0.00 0.46 -0.31 1.25 3.32 -0.85 -3.51 116.42 116.78 1jny h ASP 60 Ca 0.04 -0.63 -0.21 0.00 0.02 0.00 0.00 57.03 56.25 1jny h ASP 60 Cb 0.39 -0.13 -0.09 0.00 0.22 0.00 0.00 39.33 39.72 1jny h ASP 60 CO 0.01 1.01 0.22 0.54 -1.72 0.00 0.00 179.24 179.30 1jny n ARG 61 N -4.39 1.55 0.00 3.56 5.12 0.29 -5.12 116.66 117.67 1jny n ARG 61 Ca -0.08 -1.00 0.00 0.00 -1.93 0.00 0.00 57.85 54.84 1jny n ARG 61 Cb 0.51 -1.43 0.00 0.00 -1.16 0.00 0.00 32.46 30.38 1jny n ARG 61 CO 0.00 0.00 0.00 -0.12 -1.93 0.00 0.00 177.63 175.58 1jny n MET 77 N 0.90 0.00 -4.39 5.56 0.00 -1.21 -4.96 117.12 113.02 1jny n MET 77 Ca 0.21 0.00 -0.28 0.00 0.00 0.00 0.00 57.70 57.62 1jny n MET 77 Cb 0.56 0.00 -0.12 0.00 0.00 0.00 0.00 33.22 33.66 1jny n MET 77 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 175.97 177.00 1jny s ARG 78 N -1.93 1.48 0.18 2.12 0.52 -1.26 -0.59 118.95 119.46 1jny s ARG 78 Ca 0.00 -1.38 -0.12 0.00 -0.52 0.00 0.00 55.73 53.71 1jny s ARG 78 Cb 0.00 -1.91 0.00 0.00 0.52 0.00 0.00 34.95 33.56 1jny s ARG 78 CO 0.00 0.44 0.37 -0.59 0.02 0.00 0.00 175.30 175.54 1jny s PHE 79 N -1.25 0.23 -0.04 -0.53 -0.71 -0.62 -3.68 117.98 111.37 1jny s PHE 79 Ca 0.16 -0.59 0.06 0.00 -1.04 0.00 0.00 56.93 55.53 1jny s PHE 79 Cb -0.09 0.10 -0.01 0.00 -1.21 0.00 0.00 43.02 41.80 1jny s PHE 79 CO 0.08 -0.79 -0.23 -2.00 -1.34 0.00 0.00 175.22 170.94 1jny s GLU 80 N -3.94 2.20 0.00 1.99 2.12 0.51 -0.44 118.70 121.15 1jny s GLU 80 Ca 0.15 -0.82 0.00 0.00 0.36 0.00 0.00 54.97 54.66 1jny s GLU 80 Cb 0.02 -1.93 0.00 0.00 0.26 0.00 0.00 34.13 32.47 1jny s GLU 80 CO -0.01 0.38 0.00 0.25 -0.54 0.00 0.00 175.26 175.34 1jny n THR 81 N 2.88 0.00 0.21 -1.70 -2.24 -0.05 -4.75 114.28 108.63 1jny n THR 81 Ca -0.17 0.00 0.04 0.00 -2.27 0.00 0.00 64.05 61.65 1jny n THR 81 Cb 0.52 -0.17 0.44 0.00 -2.10 0.00 0.00 70.33 69.03 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 0.00 0.00 -0.78 1.57 -1.99 -3.33 116.57 112.04 1jny h LYS 82 Ca 0.00 0.00 -0.06 0.00 -1.87 0.00 0.00 60.65 58.72 1jny h LYS 82 Cb 0.00 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.30 1jny h LYS 82 CO 0.00 0.28 -1.34 1.63 -0.57 0.00 0.00 179.45 179.45 1jny n LYS 83 N -4.14 2.04 -4.39 3.15 4.76 -1.26 -5.09 118.16 113.23 1jny n LYS 83 Ca -0.02 -0.02 -0.21 0.00 -2.87 0.00 0.00 58.31 55.19 1jny n LYS 83 Cb 0.33 -1.14 -0.09 0.00 -1.84 0.00 0.00 35.03 32.29 1jny n LYS 83 CO 0.00 0.00 0.00 0.71 -1.37 0.00 0.00 177.40 176.74 1jny s TYR 84 N -2.23 1.69 -0.14 2.13 2.02 -1.25 -3.86 117.35 115.71 1jny s TYR 84 Ca -0.03 -1.33 0.02 0.00 -0.37 0.00 0.00 57.07 55.36 1jny s TYR 84 Cb 0.02 -0.97 0.01 0.00 -0.40 0.00 0.00 41.96 40.63 1jny s TYR 84 CO 0.23 -0.44 -0.22 -0.06 -1.57 0.00 0.00 175.55 173.50 1jny s PHE 85 N -3.45 2.63 0.24 2.71 0.08 -0.62 -0.87 117.98 118.69 1jny s PHE 85 Ca 0.33 -1.32 0.10 0.00 0.12 0.00 0.00 56.93 56.15 1jny s PHE 85 Cb 0.04 -1.79 -0.04 0.00 -0.57 0.00 0.00 43.02 40.66 1jny s PHE 85 CO 0.17 -0.60 -0.07 -0.06 -0.10 0.00 0.00 175.22 174.56 1jny s PHE 86 N 0.82 2.61 -0.07 0.36 0.08 0.42 -1.72 117.98 120.48 1jny s PHE 86 Ca -0.07 -0.24 -0.01 0.00 0.12 0.00 0.00 56.93 56.73 1jny s PHE 86 Cb -0.16 -1.19 0.03 0.00 -0.57 0.00 0.00 43.02 41.13 1jny s PHE 86 CO -0.02 0.60 -0.00 0.99 -0.10 0.00 0.00 175.22 176.68 1jny s THR 87 N -2.12 0.40 -0.61 0.64 2.01 -0.82 -1.59 115.64 113.53 1jny s THR 87 Ca 0.29 0.09 -0.25 0.00 0.31 0.00 0.00 61.69 62.13 1jny s THR 87 Cb -0.07 -0.54 0.04 0.00 0.01 0.00 0.00 72.50 71.95 1jny s THR 87 CO 0.17 0.25 1.04 -0.63 -0.69 0.00 0.00 174.62 174.77 1jny s ILE 88 N 1.83 4.21 0.04 1.82 1.01 0.24 -0.91 121.20 129.44 1jny s ILE 88 Ca 0.03 0.23 0.10 0.00 0.00 0.00 0.00 60.65 61.01 1jny s ILE 88 Cb -0.12 -4.66 -0.19 0.00 0.01 0.00 0.00 42.46 37.50 1jny s ILE 88 CO -0.05 -1.35 1.11 0.16 0.00 0.00 0.00 174.94 174.81 1jny h ILE 89 N 6.03 1.34 -3.35 2.92 3.07 -1.10 -3.21 117.51 123.21 1jny h ILE 89 Ca -0.27 -3.05 -0.09 0.00 1.55 0.00 0.00 64.86 63.01 1jny h ILE 89 Cb 1.07 2.65 -0.03 0.00 -0.27 0.00 0.00 36.82 40.24 1jny h ILE 89 CO 1.16 0.77 0.12 -0.62 -1.05 0.00 0.00 178.15 178.52 1jny s ASP 90 N -6.47 0.24 -0.24 2.16 -1.08 -1.25 -5.05 116.67 104.98 1jny s ASP 90 Ca -0.00 -1.19 -0.28 0.00 -0.52 0.00 0.00 52.55 50.55 1jny s ASP 90 Cb 0.09 0.78 0.15 0.00 -1.46 0.00 0.00 42.92 42.48 1jny s ASP 90 CO 0.81 -1.53 1.17 0.00 0.52 0.00 0.00 175.17 176.14 1jny s ALA 91 N -2.73 -2.03 0.56 3.66 0.00 -1.26 -2.71 121.76 117.25 1jny s ALA 91 Ca 0.20 1.74 -0.21 0.00 0.00 0.00 0.00 51.96 53.69 1jny s ALA 91 Cb -0.04 -1.22 -0.04 0.00 0.00 0.00 0.00 23.12 21.82 1jny s ALA 91 CO 0.13 -0.25 1.28 -2.14 0.00 0.00 0.00 175.76 174.79 1jny s PRO 92 N -0.68 3.11 0.00 0.00 0.02 -1.25 -3.13 135.00 133.07 1jny s PRO 92 Ca 0.03 2.03 0.00 0.00 0.02 0.00 0.00 61.00 63.09 1jny s PRO 92 Cb -0.02 -2.14 0.00 0.00 0.02 0.00 0.00 34.50 32.36 1jny s PRO 92 CO -0.05 -1.15 0.00 0.41 -0.33 0.00 0.00 177.00 175.88 1jny n GLY 93 N 0.65 1.35 3.86 0.52 0.00 0.17 -4.97 105.19 106.77 1jny n GLY 93 Ca 0.12 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.80 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 -2.25 3.53 0.24 1.61 3.76 -1.18 -4.96 115.29 116.04 1jny s HIS 94 Ca 0.00 0.88 -0.30 0.00 -0.15 0.00 0.00 55.06 55.49 1jny s HIS 94 Cb 0.00 -2.24 -0.10 0.00 1.11 0.00 0.00 32.58 31.35 1jny s HIS 94 CO 0.00 0.41 1.43 -0.98 -0.85 0.00 0.00 174.74 174.74 1jny s ARG 95 N -2.27 4.28 0.00 1.40 1.70 -1.26 -2.20 118.95 120.61 1jny s ARG 95 Ca 0.40 2.27 0.00 0.00 -0.47 0.00 0.00 55.73 57.92 1jny s ARG 95 Cb -0.13 -3.13 0.00 0.00 -0.57 0.00 0.00 34.95 31.12 1jny s ARG 95 CO 0.20 -0.41 0.00 -0.25 -1.08 0.00 0.00 175.30 173.76 1jny n ASP 96 N 2.48 -2.58 0.11 -2.89 9.92 -1.25 -4.96 116.55 117.38 1jny n ASP 96 Ca 0.07 0.00 -0.13 0.00 -0.53 0.00 0.00 54.79 54.21 1jny n ASP 96 Cb 0.41 -0.43 -0.06 0.00 -0.64 0.00 0.00 41.12 40.40 1jny n ASP 96 CO 0.00 0.00 0.00 0.15 0.13 0.00 0.00 177.20 177.48 1jny h PHE 97 N 0.00 -0.44 -0.07 1.24 3.57 -1.30 -0.42 116.94 119.52 1jny h PHE 97 Ca 0.00 0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.50 1jny h PHE 97 Cb 0.00 0.18 -0.00 0.00 2.79 0.00 0.00 35.95 38.92 1jny h PHE 97 CO 0.00 -0.25 0.03 0.28 -2.23 0.00 0.00 178.31 176.13 1jny h VAL 98 N -0.34 1.15 -0.06 1.41 2.07 -1.72 -2.84 116.25 115.91 1jny h VAL 98 Ca 0.02 -0.44 0.04 0.00 0.82 0.00 0.00 66.70 67.13 1jny h VAL 98 Cb 0.35 1.32 -0.05 0.00 -1.52 0.00 0.00 31.29 31.39 1jny h VAL 98 CO -0.08 0.13 -0.23 0.50 0.02 0.00 0.00 177.57 177.92 1jny h LYS 99 N -0.05 -0.31 -0.61 1.57 3.64 -1.77 -1.56 116.57 117.48 1jny h LYS 99 Ca 0.02 0.02 0.07 0.00 -1.27 0.00 0.00 60.65 59.50 1jny h LYS 99 Cb 0.18 0.07 -0.04 0.00 -0.41 0.00 0.00 32.23 32.03 1jny h LYS 99 CO -0.00 -0.21 0.41 -0.91 -2.27 0.00 0.00 179.45 176.47 1jny h ASN 100 N -0.32 0.48 -0.06 4.20 2.35 -1.09 0.10 115.58 121.24 1jny h ASN 100 Ca 0.08 0.00 -0.18 0.00 -0.55 0.00 0.00 56.30 55.65 1jny h ASN 100 Cb 0.43 -0.10 -0.00 0.00 0.05 0.00 0.00 38.32 38.71 1jny h ASN 100 CO -0.25 0.30 -0.61 0.24 -1.65 0.00 0.00 177.43 175.46 1jny h MET 101 N 0.54 0.67 -0.11 0.81 2.86 -1.18 -0.42 114.93 118.10 1jny h MET 101 Ca 0.27 -0.46 -0.06 0.00 -2.06 0.00 0.00 59.70 57.39 1jny h MET 101 Cb 0.37 0.07 -0.00 0.00 0.06 0.00 0.00 31.60 32.09 1jny h MET 101 CO -0.08 1.08 -0.17 0.82 1.06 0.00 0.00 176.91 179.61 1jny h ILE 102 N 0.50 1.38 0.00 -1.22 2.04 -0.25 -3.21 117.51 116.75 1jny h ILE 102 Ca -0.01 -1.43 -0.05 0.00 1.00 0.00 0.00 64.86 64.38 1jny h ILE 102 Cb 1.20 2.06 -0.01 0.00 -0.74 0.00 0.00 36.82 39.33 1jny h ILE 102 CO 0.12 0.41 -0.24 0.71 0.00 0.00 0.00 178.15 179.15 1jny h THR 103 N -0.13 0.56 0.00 -0.27 1.35 -0.92 -3.43 112.91 110.09 1jny h THR 103 Ca 0.01 -1.18 0.00 0.00 -0.55 0.00 0.00 66.41 64.69 1jny h THR 103 Cb 0.74 1.81 0.00 0.00 -1.73 0.00 0.00 68.15 68.97 1jny h THR 103 CO 0.04 0.23 0.00 0.61 -0.25 0.00 0.00 175.52 176.15 1jny n GLY 104 N 0.23 0.61 0.33 5.82 0.00 -0.62 -4.91 105.19 106.65 1jny n GLY 104 Ca 0.00 0.00 0.20 0.00 0.00 0.00 0.00 46.02 46.22 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 1.21 -2.96 4.61 0.00 -1.48 -3.20 119.26 117.44 1jny h ALA 105 Ca 0.00 -0.00 -0.61 0.00 0.00 0.00 0.00 54.91 54.30 1jny h ALA 105 Cb 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 17.79 17.39 1jny h ALA 105 CO 0.00 -0.05 -0.74 -1.12 0.00 0.00 0.00 179.25 177.34 1jny s SER 106 N -5.36 3.61 -0.39 0.00 0.01 -0.31 -5.00 113.70 106.26 1jny s SER 106 Ca -0.05 -2.82 -0.14 0.00 1.31 0.00 0.00 55.95 54.25 1jny s SER 106 Cb 0.13 -1.08 0.02 0.00 0.21 0.00 0.00 66.02 65.30 1jny s SER 106 CO 0.44 -0.24 0.27 -1.58 0.41 0.00 0.00 173.24 172.54 1jny s GLN 107 N 0.10 3.01 0.29 12.44 -0.44 -1.21 -4.43 119.66 129.41 1jny s GLN 107 Ca 0.20 -0.98 -0.10 0.00 -2.50 0.00 0.00 55.36 51.97 1jny s GLN 107 Cb -0.20 -3.90 -0.07 0.00 -1.64 0.00 0.00 33.01 27.20 1jny s GLN 107 CO -0.03 -0.70 0.63 0.00 0.50 0.00 0.00 175.29 175.69 1jny s ALA 108 N 1.66 3.48 -0.25 1.58 0.00 -1.26 -4.81 121.76 122.16 1jny s ALA 108 Ca 0.04 -0.22 0.20 0.00 0.00 0.00 0.00 51.96 51.98 1jny s ALA 108 Cb -0.19 -2.54 -0.29 0.00 0.00 0.00 0.00 23.12 20.11 1jny s ALA 108 CO 0.09 0.35 0.53 -0.25 0.00 0.00 0.00 175.76 176.48 1jny n ASP 109 N -0.49 0.56 -3.67 0.00 8.00 0.96 -4.98 116.55 116.93 1jny n ASP 109 Ca 0.01 -0.24 -0.05 0.00 0.71 0.00 0.00 54.79 55.23 1jny n ASP 109 Cb 0.53 1.68 -0.01 0.00 -0.02 0.00 0.00 41.12 43.30 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 -3.25 -1.75 -0.00 2.24 0.00 -1.14 -4.73 121.76 113.13 1jny s ALA 110 Ca -0.04 0.46 -0.04 0.00 0.00 0.00 0.00 51.96 52.34 1jny s ALA 110 Cb 0.13 0.54 -0.00 0.00 0.00 0.00 0.00 23.12 23.79 1jny s ALA 110 CO 0.82 -0.93 0.07 0.00 0.00 0.00 0.00 175.76 175.72 1jny s ALA 111 N -3.16 -0.14 -0.19 0.00 0.00 -0.86 -2.94 121.76 114.47 1jny s ALA 111 Ca 0.10 -0.19 -0.04 0.00 0.00 0.00 0.00 51.96 51.83 1jny s ALA 111 Cb -0.01 0.06 -0.02 0.00 0.00 0.00 0.00 23.12 23.15 1jny s ALA 111 CO -0.02 -0.15 -0.03 0.42 0.00 0.00 0.00 175.76 175.98 1jny s ILE 112 N -1.03 3.65 -0.44 0.00 1.01 -0.89 -1.39 121.20 122.11 1jny s ILE 112 Ca -0.11 -0.42 -0.15 0.00 0.00 0.00 0.00 60.65 59.97 1jny s ILE 112 Cb -0.07 -2.64 0.05 0.00 0.01 0.00 0.00 42.46 39.81 1jny s ILE 112 CO 0.00 0.44 0.34 -0.22 0.00 0.00 0.00 174.94 175.50 1jny s LEU 113 N 1.01 5.33 -0.29 2.97 0.20 0.25 -1.24 118.68 126.92 1jny s LEU 113 Ca 0.01 -1.12 -0.25 0.00 0.69 0.00 0.00 54.13 53.46 1jny s LEU 113 Cb -0.15 -2.16 0.00 0.00 -0.43 0.00 0.00 46.19 43.46 1jny s LEU 113 CO 0.01 -0.54 0.86 -0.69 -0.29 0.00 0.00 176.35 175.70 1jny s VAL 114 N 1.65 4.74 -0.22 1.68 1.01 0.09 -0.41 120.40 128.93 1jny s VAL 114 Ca 0.04 1.41 0.02 0.00 0.00 0.00 0.00 61.98 63.46 1jny s VAL 114 Cb -0.22 -4.20 0.04 0.00 0.00 0.00 0.00 36.38 32.01 1jny s VAL 114 CO 0.08 -0.25 -0.14 -0.69 0.00 0.00 0.00 175.10 174.09 1jny s VAL 115 N 3.08 2.03 -0.11 2.92 1.01 0.44 -4.22 120.40 125.54 1jny s VAL 115 Ca 0.36 -1.25 -0.30 0.00 0.00 0.00 0.00 61.98 60.79 1jny s VAL 115 Cb -0.14 -2.01 -0.03 0.00 0.00 0.00 0.00 36.38 34.20 1jny s VAL 115 CO 0.12 0.23 1.30 -0.55 0.00 0.00 0.00 175.10 176.20 1jny s SER 116 N 1.23 6.93 0.00 3.32 0.15 -1.26 -0.43 113.70 123.64 1jny s SER 116 Ca -0.02 1.82 0.30 0.00 0.70 0.00 0.00 55.95 58.75 1jny s SER 116 Cb -0.17 -2.54 1.45 0.00 -1.71 0.00 0.00 66.02 63.05 1jny s SER 116 CO -0.09 -0.73 1.99 0.00 1.20 0.00 0.00 173.24 175.61 1jny n ALA 117 N 6.19 2.64 -1.77 5.45 0.00 -0.34 -2.64 120.51 130.04 1jny n ALA 117 Ca 0.13 -0.21 -0.41 0.00 0.00 0.00 0.00 53.44 52.95 1jny n ALA 117 Cb 0.45 -1.42 -0.01 0.00 0.00 0.00 0.00 19.45 18.47 1jny n ALA 117 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 1jny s LYS 118 N -2.42 4.12 0.29 0.00 2.20 -1.26 -4.78 119.74 117.88 1jny s LYS 118 Ca 0.32 2.56 -0.29 0.00 -0.36 0.00 0.00 55.97 58.20 1jny s LYS 118 Cb 0.20 -2.99 -0.13 0.00 -1.51 0.00 0.00 37.83 33.40 1jny s LYS 118 CO 0.45 -0.57 1.26 1.63 -0.36 0.00 0.00 175.35 177.76 1jny n LYS 119 N 1.20 1.89 0.00 4.03 4.01 -1.26 -2.21 118.16 125.81 1jny n LYS 119 Ca 0.04 0.66 0.00 0.00 -0.51 0.00 0.00 58.31 58.50 1jny n LYS 119 Cb 0.39 -2.22 0.00 0.00 -0.51 0.00 0.00 35.03 32.68 1jny n LYS 119 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1jny n GLY 120 N 1.36 2.02 0.20 0.72 0.00 -1.26 -4.72 105.19 103.51 1jny n GLY 120 Ca 0.08 -0.28 -0.02 0.00 0.00 0.00 0.00 46.02 45.81 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 0.17 0.48 1.61 5.08 -1.76 0.10 114.58 120.25 1jny h GLU 121 Ca 0.00 -0.01 -0.02 0.00 -1.00 0.00 0.00 59.36 58.33 1jny h GLU 121 Cb 0.00 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.21 1jny h GLU 121 CO 0.00 0.11 -0.30 -0.92 -1.00 0.00 0.00 179.01 176.90 1jny h TYR 122 N 0.17 -0.78 -1.00 4.33 3.20 -1.21 -2.11 116.97 119.56 1jny h TYR 122 Ca 0.26 -0.01 0.14 0.00 3.14 0.00 0.00 58.73 62.26 1jny h TYR 122 Cb 0.38 0.28 -0.09 0.00 1.54 0.00 0.00 36.73 38.84 1jny h TYR 122 CO -0.27 -0.46 0.63 0.93 -1.64 0.00 0.00 178.16 177.35 1jny h GLU 123 N -0.74 0.91 -0.05 1.82 3.07 -1.72 -0.50 114.58 117.37 1jny h GLU 123 Ca -0.05 -0.05 0.01 0.00 -0.50 0.00 0.00 59.36 58.76 1jny h GLU 123 Cb 0.61 -0.21 -0.01 0.00 -0.84 0.00 0.00 28.75 28.30 1jny h GLU 123 CO 0.05 0.60 0.01 0.00 -1.40 0.00 0.00 179.01 178.27 1jny h ALA 124 N 1.57 0.05 0.00 3.43 0.00 -0.55 -1.89 119.26 121.87 1jny h ALA 124 Ca 0.52 0.01 -0.07 0.00 0.00 0.00 0.00 54.91 55.37 1jny h ALA 124 Cb 0.59 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.39 1jny h ALA 124 CO -0.29 -0.47 -0.31 0.78 0.00 0.00 0.00 179.25 178.95 1jny h GLY 125 N 0.03 0.00 0.54 0.00 0.00 -0.47 -3.22 103.07 99.95 1jny h GLY 125 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.35 1jny h GLY 125 CO -0.03 0.00 -0.53 1.03 0.00 0.00 0.00 176.54 177.00 1jny n MET 126 N -4.10 0.26 -1.70 4.80 2.00 -0.38 -0.58 117.12 117.42 1jny n MET 126 Ca -0.02 -0.17 -0.30 0.00 0.00 0.00 0.00 57.70 57.21 1jny n MET 126 Cb 0.36 -1.50 0.20 0.00 0.00 0.00 0.00 33.22 32.29 1jny n MET 126 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 175.97 176.42 1jny s SER 127 N -2.86 2.51 0.00 7.83 0.15 -0.73 -4.74 113.70 115.86 1jny s SER 127 Ca 0.14 0.36 0.05 0.00 0.70 0.00 0.00 55.95 57.21 1jny s SER 127 Cb 0.18 -0.46 0.28 0.00 -1.71 0.00 0.00 66.02 64.31 1jny s SER 127 CO 0.68 -3.11 0.99 0.55 1.20 0.00 0.00 173.24 173.55 1jny n VAL 128 N -4.04 0.84 -0.09 4.45 3.14 -1.26 -0.89 118.33 120.48 1jny n VAL 128 Ca 0.15 0.21 0.03 0.00 -2.96 0.00 0.00 64.34 61.77 1jny n VAL 128 Cb 0.59 -1.12 0.08 0.00 -1.06 0.00 0.00 33.84 32.33 1jny n VAL 128 CO 0.00 0.00 0.00 -0.62 -6.46 0.00 0.00 176.83 169.75 1jny n GLU 129 N -1.26 2.93 -4.15 1.45 4.71 -1.26 -5.04 120.64 118.03 1jny n GLU 129 Ca 0.03 -1.78 -0.34 0.00 -0.01 0.00 0.00 57.16 55.06 1jny n GLU 129 Cb 0.04 -1.14 -0.08 0.00 -1.01 0.00 0.00 31.44 29.26 1jny n GLU 129 CO 0.00 0.00 0.00 0.20 0.09 0.00 0.00 177.13 177.42 1jny s GLY 130 N -1.01 1.98 0.00 0.62 0.00 -0.07 -4.97 107.32 103.88 1jny s GLY 130 Ca 0.12 -0.85 0.21 0.00 0.00 0.00 0.00 44.72 44.19 1jny s GLY 130 CO 0.08 -0.70 1.66 -1.06 0.00 0.00 0.00 173.10 173.08 1jny n GLN 131 N 1.43 0.28 -0.03 2.90 3.00 -1.17 -2.61 117.38 121.16 1jny n GLN 131 Ca -0.15 0.09 -0.14 0.00 -0.01 0.00 0.00 57.00 56.80 1jny n GLN 131 Cb 0.53 -1.50 -0.10 0.00 0.00 0.00 0.00 30.24 29.17 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 0.00 1.45 -0.01 5.09 2.02 -1.14 0.35 112.91 120.67 1jny h THR 132 Ca 0.00 -1.58 -0.16 0.00 0.77 0.00 0.00 66.41 65.45 1jny h THR 132 Cb 0.21 2.36 -0.02 0.00 -1.74 0.00 0.00 68.15 68.96 1jny h THR 132 CO 0.00 0.44 -0.72 0.08 0.37 0.00 0.00 175.52 175.68 1jny h ARG 133 N -0.35 0.08 -0.22 6.66 0.11 -1.47 -2.29 114.38 116.90 1jny h ARG 133 Ca -0.01 -0.07 -0.19 0.00 0.10 0.00 0.00 59.98 59.81 1jny h ARG 133 Cb 0.79 0.02 0.00 0.00 1.11 0.00 0.00 29.97 31.89 1jny h ARG 133 CO 0.03 0.77 -0.61 1.49 0.10 0.00 0.00 179.97 181.75 1jny h GLU 134 N 0.05 0.81 0.00 0.08 4.81 -1.50 -2.16 114.58 116.67 1jny h GLU 134 Ca -0.01 -0.57 -0.11 0.00 -0.13 0.00 0.00 59.36 58.53 1jny h GLU 134 Cb 1.28 0.09 -0.02 0.00 0.63 0.00 0.00 28.75 30.73 1jny h GLU 134 CO 0.10 1.20 -0.52 0.45 -0.73 0.00 0.00 179.01 179.51 1jny h HIS 135 N 0.56 0.00 0.02 0.92 3.86 -0.92 0.10 115.15 119.70 1jny h HIS 135 Ca -0.01 0.00 -0.00 0.00 -1.16 0.00 0.00 60.37 59.20 1jny h HIS 135 Cb 1.23 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.70 1jny h HIS 135 CO 0.08 0.52 -0.01 0.82 0.86 0.00 0.00 177.93 180.20 1jny h ILE 136 N 0.00 1.16 -0.87 2.45 2.04 -1.35 0.12 117.51 121.07 1jny h ILE 136 Ca -0.01 -0.55 0.01 0.00 1.00 0.00 0.00 64.86 65.32 1jny h ILE 136 Cb 1.07 1.53 -0.04 0.00 -0.74 0.00 0.00 36.82 38.64 1jny h ILE 136 CO 0.07 0.14 0.58 0.40 0.00 0.00 0.00 178.15 179.33 1jny h ILE 137 N -0.26 1.21 -0.50 -0.67 2.04 -1.19 -0.29 117.51 117.84 1jny h ILE 137 Ca -0.00 -0.40 -0.00 0.00 1.00 0.00 0.00 64.86 65.46 1jny h ILE 137 Cb 0.25 -0.06 -0.02 0.00 -0.74 0.00 0.00 36.82 36.25 1jny h ILE 137 CO 0.00 0.21 0.31 0.25 0.00 0.00 0.00 178.15 178.93 1jny h LEU 138 N 1.16 0.60 -1.15 1.44 5.85 -0.30 0.72 115.31 123.62 1jny h LEU 138 Ca 0.33 -0.05 0.01 0.00 0.84 0.00 0.00 57.88 59.01 1jny h LEU 138 Cb -0.10 -0.15 -0.04 0.00 0.37 0.00 0.00 40.66 40.73 1jny h LEU 138 CO -0.08 0.46 0.57 0.00 -0.34 0.00 0.00 178.44 179.06 1jny h ALA 139 N 1.16 1.38 -0.03 1.25 0.00 0.47 -0.11 119.26 123.38 1jny h ALA 139 Ca 0.18 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 55.03 1jny h ALA 139 Cb -0.03 -0.35 -0.00 0.00 0.00 0.00 0.00 17.79 17.41 1jny h ALA 139 CO -0.04 0.57 0.01 -0.22 0.00 0.00 0.00 179.25 179.58 1jny h LYS 140 N 1.17 0.04 -0.77 0.00 1.63 0.01 0.11 116.57 118.75 1jny h LYS 140 Ca 0.31 -0.00 0.04 0.00 -0.85 0.00 0.00 60.65 60.15 1jny h LYS 140 Cb -0.13 -0.01 -0.04 0.00 -0.60 0.00 0.00 32.23 31.44 1jny h LYS 140 CO -0.07 0.09 0.51 1.15 -3.45 0.00 0.00 179.45 177.68 1jny h THR 141 N -0.03 1.09 -0.00 1.00 2.02 0.01 -1.59 112.91 115.42 1jny h THR 141 Ca 0.01 -0.31 0.00 0.00 0.77 0.00 0.00 66.41 66.88 1jny h THR 141 Cb 0.07 0.11 0.00 0.00 -1.74 0.00 0.00 68.15 66.59 1jny h THR 141 CO -0.00 0.17 -0.18 0.23 0.37 0.00 0.00 175.52 176.11 1jny n MET 142 N -4.46 0.47 -1.72 6.66 2.81 -0.14 -3.70 117.12 117.03 1jny n MET 142 Ca 0.10 -0.18 -0.03 0.00 -1.81 0.00 0.00 57.70 55.78 1jny n MET 142 Cb 0.15 -1.50 -0.01 0.00 -0.71 0.00 0.00 33.22 31.16 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 1.36 0.37 3.51 3.03 0.00 -0.60 -4.82 105.19 108.05 1jny n GLY 143 Ca 0.11 -0.83 -0.42 0.00 0.00 0.00 0.00 46.02 44.88 1jny n GLY 143 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1jny s LEU 144 N -0.76 4.10 0.05 0.99 1.43 0.27 -4.81 118.68 119.96 1jny s LEU 144 Ca 0.00 -1.61 -0.20 0.00 -1.03 0.00 0.00 54.13 51.29 1jny s LEU 144 Cb 0.00 -2.50 -0.13 0.00 0.03 0.00 0.00 46.19 43.59 1jny s LEU 144 CO 0.00 -1.36 1.40 -0.78 0.23 0.00 0.00 176.35 175.84 1jny h ASP 145 N 9.44 0.36 -3.05 2.29 1.82 -1.90 -3.42 116.42 121.95 1jny h ASP 145 Ca 0.14 -0.42 -0.56 0.00 -0.39 0.00 0.00 57.03 55.81 1jny h ASP 145 Cb 1.02 -0.10 -0.08 0.00 0.68 0.00 0.00 39.33 40.85 1jny h ASP 145 CO 1.29 0.70 0.95 -1.10 -1.61 0.00 0.00 179.24 179.47 1jny s GLN 146 N -4.55 3.44 -0.08 0.28 -0.21 -1.26 -4.48 119.66 112.80 1jny s GLN 146 Ca -0.14 0.11 0.02 0.00 0.02 0.00 0.00 55.36 55.37 1jny s GLN 146 Cb 0.06 -4.05 0.01 0.00 1.00 0.00 0.00 33.01 30.03 1jny s GLN 146 CO 0.74 -1.74 -0.13 -1.17 -2.12 0.00 0.00 175.29 170.87 1jny s LEU 147 N 4.99 1.63 -0.31 2.90 2.96 -1.01 -2.02 118.68 127.83 1jny s LEU 147 Ca 0.40 -0.34 -0.04 0.00 -0.22 0.00 0.00 54.13 53.93 1jny s LEU 147 Cb -0.08 -0.92 0.04 0.00 0.50 0.00 0.00 46.19 45.73 1jny s LEU 147 CO 0.23 0.02 0.05 -0.63 -1.32 0.00 0.00 176.35 174.69 1jny s ILE 148 N 0.84 3.44 -0.42 6.68 1.01 -0.49 -1.60 121.20 130.67 1jny s ILE 148 Ca -0.11 -1.13 -0.22 0.00 0.00 0.00 0.00 60.65 59.19 1jny s ILE 148 Cb -0.15 -2.90 0.02 0.00 0.01 0.00 0.00 42.46 39.43 1jny s ILE 148 CO 0.01 -0.06 0.72 -0.69 0.00 0.00 0.00 174.94 174.92 1jny s VAL 149 N 1.36 4.75 -0.49 2.92 1.01 0.11 -0.58 120.40 129.48 1jny s VAL 149 Ca -0.02 0.44 -0.17 0.00 0.00 0.00 0.00 61.98 62.24 1jny s VAL 149 Cb -0.19 -4.23 0.08 0.00 0.00 0.00 0.00 36.38 32.04 1jny s VAL 149 CO 0.01 -0.57 0.48 0.00 0.00 0.00 0.00 175.10 175.02 1jny s ALA 150 N 3.04 3.51 -1.01 5.51 0.00 0.45 -1.76 121.76 131.50 1jny s ALA 150 Ca 0.27 -2.06 -0.22 0.00 0.00 0.00 0.00 51.96 49.95 1jny s ALA 150 Cb -0.13 -3.19 0.06 0.00 0.00 0.00 0.00 23.12 19.87 1jny s ALA 150 CO 0.19 -1.86 1.40 0.08 0.00 0.00 0.00 175.76 175.58 1jny s VAL 151 N 1.96 4.06 0.90 0.00 1.01 -0.48 -0.42 120.40 127.43 1jny s VAL 151 Ca 0.07 -0.92 -0.14 0.00 0.00 0.00 0.00 61.98 61.00 1jny s VAL 151 Cb -0.23 -5.02 0.14 0.00 0.00 0.00 0.00 36.38 31.27 1jny s VAL 151 CO 0.08 -1.87 1.20 0.21 0.00 0.00 0.00 175.10 174.72 1jny s ASN 152 N 4.74 3.63 -1.55 3.32 2.47 0.43 -0.07 114.94 127.91 1jny s ASN 152 Ca 0.44 0.70 -0.03 0.00 0.42 0.00 0.00 52.86 54.38 1jny s ASN 152 Cb -0.01 -1.08 0.01 0.00 -1.45 0.00 0.00 41.25 38.72 1jny s ASN 152 CO -0.10 -2.45 0.36 0.29 -3.72 0.00 0.00 177.10 171.48 1jny n LYS 153 N -3.66 -3.55 0.32 0.43 5.02 -0.90 -1.19 118.16 114.62 1jny n LYS 153 Ca 0.10 0.86 0.20 0.00 -2.02 0.00 0.00 58.31 57.45 1jny n LYS 153 Cb 0.60 -5.63 1.06 0.00 -0.02 0.00 0.00 35.03 31.04 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 -0.81 0.00 0.00 1.97 2.86 -1.62 -1.18 114.93 116.16 1jny h MET 154 Ca -0.49 0.00 -0.14 0.00 -2.06 0.00 0.00 59.70 57.01 1jny h MET 154 Cb 1.34 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.98 1jny h MET 154 CO 0.55 0.01 -0.66 0.38 1.06 0.00 0.00 176.91 178.25 1jny h ASP 155 N 0.00 0.00 -0.26 1.22 2.03 -1.89 0.37 116.42 117.90 1jny h ASP 155 Ca -0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 1jny h ASP 155 Cb 0.09 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.59 1jny h ASP 155 CO 0.00 0.66 0.00 0.18 -1.03 0.00 0.00 179.24 179.06 1jny n LEU 156 N -3.75 1.53 -4.82 0.15 4.77 -0.45 -4.35 117.00 110.09 1jny n LEU 156 Ca -0.01 -0.77 -0.30 0.00 -0.03 0.00 0.00 56.01 54.90 1jny n LEU 156 Cb 0.65 -0.22 0.19 0.00 -2.33 0.00 0.00 43.42 41.72 1jny n LEU 156 CO 0.43 0.35 0.78 0.42 -1.33 0.00 0.00 177.39 178.04 1jny s THR 157 N -1.65 1.88 -0.32 -5.08 -4.23 -1.21 -4.64 115.64 100.39 1jny s THR 157 Ca 0.18 0.00 0.01 0.00 -1.18 0.00 0.00 61.69 60.70 1jny s THR 157 Cb 0.10 -2.82 0.10 0.00 1.34 0.00 0.00 72.50 71.21 1jny s THR 157 CO 0.11 0.00 0.07 -1.61 -0.54 0.00 0.00 174.62 172.66 1jny s GLU 158 N -5.67 1.01 0.80 3.99 2.02 -1.26 -2.30 118.70 117.29 1jny s GLU 158 Ca 0.71 -1.34 -0.12 0.00 0.02 0.00 0.00 54.97 54.25 1jny s GLU 158 Cb -0.07 -2.43 0.07 0.00 0.10 0.00 0.00 34.13 31.80 1jny s GLU 158 CO 0.54 -0.95 1.14 -1.25 0.02 0.00 0.00 175.26 174.76 1jny s PRO 159 N 1.37 2.08 0.39 0.39 0.04 -1.26 -4.97 135.00 133.04 1jny s PRO 159 Ca 0.09 0.30 -0.26 0.00 0.04 0.00 0.00 61.00 61.18 1jny s PRO 159 Cb -0.18 -1.95 -0.11 0.00 0.04 0.00 0.00 34.50 32.31 1jny s PRO 159 CO -0.18 -1.55 1.16 -2.30 0.04 0.00 0.00 177.00 174.17 1jny n PRO 160 N -3.33 1.72 -3.64 0.56 -0.02 -0.97 -2.42 135.00 126.90 1jny n PRO 160 Ca 0.07 0.61 -0.25 0.00 -2.02 0.00 0.00 63.50 61.92 1jny n PRO 160 Cb 0.59 -2.21 0.07 0.00 -0.02 0.00 0.00 33.50 31.93 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 -0.16 -2.78 -2.14 6.00 4.01 0.13 -4.92 117.16 117.29 1jny n TYR 161 Ca 0.07 1.00 -0.43 0.00 -0.16 0.00 0.00 57.90 58.39 1jny n TYR 161 Cb 0.38 -4.90 -0.03 0.00 -0.31 0.00 0.00 39.34 34.49 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 -3.36 6.61 0.34 7.72 2.15 -1.01 -4.90 116.67 124.21 1jny s ASP 162 Ca 0.58 1.86 0.15 0.00 0.43 0.00 0.00 52.55 55.56 1jny s ASP 162 Cb -0.26 -2.53 0.57 0.00 -0.30 0.00 0.00 42.92 40.40 1jny s ASP 162 CO 0.74 -1.03 1.71 -0.08 -0.17 0.00 0.00 175.17 176.34 1jny h GLU 163 N 9.73 0.00 0.73 4.34 4.81 -1.91 -2.96 114.58 129.32 1jny h GLU 163 Ca -0.34 0.00 -0.04 0.00 -0.13 0.00 0.00 59.36 58.85 1jny h GLU 163 Cb 1.15 0.00 0.01 0.00 0.63 0.00 0.00 28.75 30.54 1jny h GLU 163 CO 0.98 0.47 -0.35 -0.22 -0.73 0.00 0.00 179.01 179.15 1jny h LYS 164 N 0.00 -0.94 -0.91 1.92 3.11 -1.98 -0.26 116.57 117.50 1jny h LYS 164 Ca -0.00 0.06 0.18 0.00 -2.81 0.00 0.00 60.65 58.08 1jny h LYS 164 Cb 0.93 0.21 -0.11 0.00 -1.00 0.00 0.00 32.23 32.27 1jny h LYS 164 CO 0.06 -0.61 0.48 -0.09 -2.81 0.00 0.00 179.45 176.49 1jny h ARG 165 N -1.15 0.58 0.61 1.90 9.65 -1.95 -1.00 114.38 123.02 1jny h ARG 165 Ca -0.10 -0.03 -0.03 0.00 -1.10 0.00 0.00 59.98 58.72 1jny h ARG 165 Cb 0.77 -0.13 0.01 0.00 -1.39 0.00 0.00 29.97 29.23 1jny h ARG 165 CO 0.16 0.38 -0.29 -0.92 2.80 0.00 0.00 179.97 182.11 1jny h TYR 166 N 0.60 -0.76 -0.69 2.20 3.20 -1.33 -2.15 116.97 118.04 1jny h TYR 166 Ca 0.53 -0.02 0.15 0.00 3.14 0.00 0.00 58.73 62.53 1jny h TYR 166 Cb 0.87 0.25 -0.04 0.00 1.54 0.00 0.00 36.73 39.35 1jny h TYR 166 CO -0.08 -0.47 0.47 0.87 -1.64 0.00 0.00 178.16 177.32 1jny h LYS 167 N -0.91 0.30 0.82 1.82 1.57 -0.74 -0.65 116.57 118.79 1jny h LYS 167 Ca -0.08 -0.02 -0.04 0.00 -1.87 0.00 0.00 60.65 58.64 1jny h LYS 167 Cb 0.62 -0.07 0.01 0.00 0.08 0.00 0.00 32.23 32.88 1jny h LYS 167 CO 0.14 0.20 -0.39 1.49 -0.57 0.00 0.00 179.45 180.31 1jny h GLU 168 N 0.31 -1.06 -0.76 3.15 4.81 -1.16 -1.32 114.58 118.55 1jny h GLU 168 Ca 0.34 0.07 0.06 0.00 -0.13 0.00 0.00 59.36 59.70 1jny h GLU 168 Cb 0.89 0.24 -0.06 0.00 0.63 0.00 0.00 28.75 30.45 1jny h GLU 168 CO -0.09 -0.69 0.46 0.82 -0.73 0.00 0.00 179.01 178.77 1jny h ILE 169 N -1.21 1.01 -0.18 2.32 2.04 -0.69 0.13 117.51 120.93 1jny h ILE 169 Ca -0.11 -0.29 0.02 0.00 1.00 0.00 0.00 64.86 65.48 1jny h ILE 169 Cb 0.85 0.10 -0.02 0.00 -0.74 0.00 0.00 36.82 37.02 1jny h ILE 169 CO 0.18 0.15 0.05 0.58 0.00 0.00 0.00 178.15 179.12 1jny h VAL 170 N 0.84 0.95 0.67 1.67 2.07 -1.12 -0.72 116.25 120.60 1jny h VAL 170 Ca 0.34 -0.05 -0.03 0.00 0.82 0.00 0.00 66.70 67.78 1jny h VAL 170 Cb 0.17 0.80 0.00 0.00 -1.52 0.00 0.00 31.29 30.75 1jny h VAL 170 CO -0.17 0.02 -0.35 -0.78 0.02 0.00 0.00 177.57 176.31 1jny h ASP 171 N 0.13 -0.84 0.14 0.57 3.58 -0.33 0.36 116.42 120.05 1jny h ASP 171 Ca 0.08 0.04 0.01 0.00 0.42 0.00 0.00 57.03 57.58 1jny h ASP 171 Cb 0.05 0.23 -0.05 0.00 1.72 0.00 0.00 39.33 41.28 1jny h ASP 171 CO -0.09 -0.57 -0.48 1.56 -2.88 0.00 0.00 179.24 176.78 1jny h GLN 172 N -0.93 -0.70 -0.57 0.28 1.08 -0.67 -1.51 115.11 112.08 1jny h GLN 172 Ca -0.09 0.05 0.07 0.00 -1.45 0.00 0.00 58.65 57.23 1jny h GLN 172 Cb 0.73 0.16 -0.06 0.00 -0.05 0.00 0.00 27.48 28.26 1jny h GLN 172 CO 0.13 -0.47 0.26 0.28 -0.95 0.00 0.00 178.83 178.09 1jny h VAL 173 N -0.73 0.88 -0.74 -0.54 2.07 -1.12 0.48 116.25 116.56 1jny h VAL 173 Ca 0.00 -0.17 0.07 0.00 0.82 0.00 0.00 66.70 67.42 1jny h VAL 173 Cb 0.74 0.35 -0.06 0.00 -1.52 0.00 0.00 31.29 30.79 1jny h VAL 173 CO -0.26 0.09 0.42 0.28 0.02 0.00 0.00 177.57 178.12 1jny h SER 174 N 0.49 0.62 0.28 0.57 0.02 -0.57 0.10 113.55 115.07 1jny h SER 174 Ca 0.27 0.03 -0.01 0.00 -0.84 0.00 0.00 61.79 61.24 1jny h SER 174 Cb 0.24 -0.09 0.00 0.00 0.14 0.00 0.00 62.40 62.69 1jny h SER 174 CO -0.22 0.39 -0.14 0.11 -1.14 0.00 0.00 176.83 175.83 1jny h LYS 175 N 0.75 -0.37 -0.90 3.45 1.57 -0.37 -2.22 116.57 118.49 1jny h LYS 175 Ca 0.34 0.03 0.22 0.00 -1.87 0.00 0.00 60.65 59.36 1jny h LYS 175 Cb 0.23 0.08 -0.06 0.00 0.08 0.00 0.00 32.23 32.57 1jny h LYS 175 CO -0.20 -0.09 0.61 0.35 -0.57 0.00 0.00 179.45 179.55 1jny h PHE 176 N -0.63 0.41 0.05 -1.35 3.57 -0.45 0.76 116.94 119.30 1jny h PHE 176 Ca -0.04 0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.47 1jny h PHE 176 Cb 0.45 -0.12 0.00 0.00 2.79 0.00 0.00 35.95 39.07 1jny h PHE 176 CO 0.01 0.10 -0.03 0.52 -2.23 0.00 0.00 178.31 176.68 1jny h MET 177 N 0.30 -0.07 0.00 1.11 2.86 -0.49 -2.32 114.93 116.32 1jny h MET 177 Ca 0.46 0.00 -0.06 0.00 -2.06 0.00 0.00 59.70 58.05 1jny h MET 177 Cb 1.32 0.02 -0.01 0.00 0.06 0.00 0.00 31.60 32.99 1jny h MET 177 CO -0.14 0.24 -0.29 0.00 1.06 0.00 0.00 176.91 177.78 1jny h ARG 178 N -0.38 0.00 0.00 1.72 3.08 -0.36 0.19 114.38 118.63 1jny h ARG 178 Ca -0.01 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.04 1jny h ARG 178 Cb 0.34 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.39 1jny h ARG 178 CO 0.01 0.29 0.00 0.45 -1.07 0.00 0.00 179.97 179.66 1jny n SER 179 N -3.92 0.35 -0.80 7.04 2.88 0.25 -0.60 113.62 118.82 1jny n SER 179 Ca -0.02 0.65 0.05 0.00 -1.33 0.00 0.00 58.87 58.22 1jny n SER 179 Cb 0.37 -0.70 0.10 0.00 -0.75 0.00 0.00 64.21 63.22 1jny n SER 179 CO 0.00 0.00 0.00 -1.22 -1.23 0.00 0.00 175.04 172.59 1jny n TYR 180 N -1.96 0.00 -0.70 0.66 4.02 -0.54 -4.99 117.16 113.65 1jny n TYR 180 Ca -0.00 -0.81 0.00 0.00 -0.01 0.00 0.00 57.90 57.07 1jny n TYR 180 Cb 0.06 -0.16 0.00 0.00 -0.02 0.00 0.00 39.34 39.21 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 -0.43 0.56 3.68 2.72 0.00 0.23 -4.94 105.19 107.01 1jny n GLY 181 Ca 0.11 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.71 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 -2.45 1.79 0.34 1.61 2.19 0.55 -4.88 117.98 117.13 1jny s PHE 182 Ca 0.00 -0.18 0.15 0.00 0.33 0.00 0.00 56.93 57.23 1jny s PHE 182 Cb 0.00 -4.18 1.12 0.00 -1.31 0.00 0.00 43.02 38.65 1jny s PHE 182 CO 0.00 -5.07 1.65 -0.97 1.83 0.00 0.00 175.22 172.67 1jny h ASN 183 N 9.47 0.50 0.00 6.13 -0.00 -1.92 -3.31 115.58 126.44 1jny h ASN 183 Ca -0.47 0.20 0.00 0.00 -0.00 0.00 0.00 56.30 56.03 1jny h ASN 183 Cb 1.22 0.15 0.00 0.00 -0.00 0.00 0.00 38.32 39.70 1jny h ASN 183 CO 0.94 -0.17 0.00 0.41 -0.00 0.00 0.00 177.43 178.61 1jny n THR 184 N -5.08 0.00 -0.16 -3.57 -1.04 -1.26 -4.71 114.28 98.46 1jny n THR 184 Ca 0.33 0.00 0.11 0.00 -2.04 0.00 0.00 64.05 62.45 1jny n THR 184 Cb 1.02 0.00 0.44 0.00 -1.82 0.00 0.00 70.33 69.97 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 0.51 -0.42 8.00 -0.00 -1.94 -1.70 115.58 120.03 1jny h ASN 185 Ca 0.00 0.02 -0.03 0.00 -0.00 0.00 0.00 56.30 56.29 1jny h ASN 185 Cb 0.00 -0.09 -0.02 0.00 -0.00 0.00 0.00 38.32 38.21 1jny h ASN 185 CO 0.00 0.30 0.02 0.29 -0.00 0.00 0.00 177.43 178.04 1jny n LYS 186 N -4.49 3.68 -4.03 4.14 5.02 -1.26 -4.91 118.16 116.30 1jny n LYS 186 Ca 0.12 -3.00 -0.35 0.00 -2.02 0.00 0.00 58.31 53.06 1jny n LYS 186 Cb 0.38 -2.04 -0.12 0.00 -0.02 0.00 0.00 35.03 33.23 1jny n LYS 186 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1jny s VAL 187 N -2.85 4.22 0.04 -0.18 1.01 -0.64 -2.40 120.40 119.61 1jny s VAL 187 Ca 0.48 -0.22 0.08 0.00 0.00 0.00 0.00 61.98 62.32 1jny s VAL 187 Cb 0.38 -2.92 -0.03 0.00 0.00 0.00 0.00 36.38 33.82 1jny s VAL 187 CO 0.11 0.42 -0.22 -0.13 0.00 0.00 0.00 175.10 175.29 1jny s ARG 188 N 0.91 1.48 0.09 2.72 3.00 -0.63 -4.97 118.95 121.56 1jny s ARG 188 Ca 0.02 -0.97 0.08 0.00 0.00 0.00 0.00 55.73 54.86 1jny s ARG 188 Cb -0.14 -1.60 -0.04 0.00 0.00 0.00 0.00 34.95 33.17 1jny s ARG 188 CO 0.02 0.41 -0.15 -0.06 0.00 0.00 0.00 175.30 175.53 1jny s PHE 189 N -0.79 2.63 -0.17 -0.53 0.40 -1.26 0.10 117.98 118.35 1jny s PHE 189 Ca 0.08 -0.21 -0.09 0.00 -0.60 0.00 0.00 56.93 56.11 1jny s PHE 189 Cb -0.09 -1.42 0.06 0.00 0.51 0.00 0.00 43.02 42.09 1jny s PHE 189 CO 0.02 0.36 0.40 0.54 0.70 0.00 0.00 175.22 177.24 1jny s VAL 190 N -1.10 -0.15 0.18 -0.44 0.11 -0.72 -4.96 120.40 113.32 1jny s VAL 190 Ca 0.18 0.11 -0.30 0.00 -2.93 0.00 0.00 61.98 59.04 1jny s VAL 190 Cb -0.11 -0.61 -0.08 0.00 -1.53 0.00 0.00 36.38 34.06 1jny s VAL 190 CO 0.10 0.05 1.23 -2.16 -3.33 0.00 0.00 175.10 170.99 1jny s PRO 191 N 1.65 4.45 0.05 1.54 0.04 -1.26 -1.38 135.00 140.08 1jny s PRO 191 Ca -0.08 1.92 -0.07 0.00 0.04 0.00 0.00 61.00 62.81 1jny s PRO 191 Cb -0.09 -3.23 -0.01 0.00 0.04 0.00 0.00 34.50 31.21 1jny s PRO 191 CO -0.12 -0.15 0.14 0.08 0.04 0.00 0.00 177.00 176.98 1jny s VAL 192 N 0.09 0.13 -0.29 -0.36 1.01 0.90 -4.64 120.40 117.24 1jny s VAL 192 Ca 0.55 -1.06 -0.01 0.00 0.00 0.00 0.00 61.98 61.46 1jny s VAL 192 Cb -0.34 -0.98 0.09 0.00 0.00 0.00 0.00 36.38 35.16 1jny s VAL 192 CO 0.36 -0.58 0.08 -0.69 0.00 0.00 0.00 175.10 174.28 1jny s VAL 193 N -2.80 0.76 0.13 2.92 1.01 -1.11 -2.06 120.40 119.25 1jny s VAL 193 Ca -0.03 -1.20 -0.22 0.00 0.00 0.00 0.00 61.98 60.52 1jny s VAL 193 Cb -0.00 -1.51 -0.01 0.00 0.00 0.00 0.00 36.38 34.85 1jny s VAL 193 CO -0.05 -0.59 1.66 0.00 0.00 0.00 0.00 175.10 176.12 1jny h ALA 194 N 8.14 -0.08 -0.95 5.51 0.00 -1.94 -1.29 119.26 128.65 1jny h ALA 194 Ca -0.15 0.05 0.13 0.00 0.00 0.00 0.00 54.91 54.95 1jny h ALA 194 Cb 1.03 0.33 -0.09 0.00 0.00 0.00 0.00 17.79 19.07 1jny h ALA 194 CO 0.45 -0.61 0.57 -1.35 0.00 0.00 0.00 179.25 178.30 1jny h PRO 195 N -0.20 0.84 0.00 0.00 0.11 -1.97 -2.65 132.00 128.13 1jny h PRO 195 Ca 0.10 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 66.16 1jny h PRO 195 Cb 0.34 -0.19 0.00 0.00 0.11 0.00 0.00 31.00 31.26 1jny h PRO 195 CO -0.26 0.55 -0.84 -1.13 -0.21 0.00 0.00 178.00 176.12 1jny n SER 196 N -4.71 0.74 -0.32 -2.05 3.41 -1.21 -4.97 113.62 104.51 1jny n SER 196 Ca 0.18 -0.58 -0.04 0.00 -0.26 0.00 0.00 58.87 58.17 1jny n SER 196 Cb 0.39 0.71 -0.02 0.00 -0.26 0.00 0.00 64.21 65.04 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 0.70 3.66 5.00 0.00 -0.55 -4.96 105.19 110.52 1jny n GLY 197 Ca 0.04 -0.81 -0.42 0.00 0.00 0.00 0.00 46.02 44.83 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 -2.89 6.51 -0.63 1.61 1.01 -0.84 -1.50 116.67 119.93 1jny s ASP 198 Ca 0.00 2.50 0.00 0.00 0.71 0.00 0.00 52.55 55.76 1jny s ASP 198 Cb 0.00 -2.53 0.00 0.00 1.01 0.00 0.00 42.92 41.40 1jny s ASP 198 CO 0.00 -1.02 0.00 0.59 0.21 0.00 0.00 175.17 174.95 1jny n ASN 199 N 7.46 -4.93 -0.03 0.27 3.02 0.89 -2.77 115.26 119.17 1jny n ASN 199 Ca 0.19 0.15 -0.04 0.00 -0.03 0.00 0.00 54.58 54.85 1jny n ASN 199 Cb 0.42 -2.96 -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 -2.42 0.81 -0.26 2.41 5.41 -0.56 -0.14 119.36 124.60 1jny n ILE 200 Ca -0.06 0.28 0.04 0.00 1.00 0.00 0.00 62.75 64.01 1jny n ILE 200 Cb 0.40 -1.81 0.09 0.00 -0.71 0.00 0.00 39.64 37.61 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 -3.46 1.20 -3.59 1.39 -2.24 -0.97 -1.34 114.28 105.27 1jny n THR 201 Ca -0.06 -1.21 -0.07 0.00 -2.27 0.00 0.00 64.05 60.45 1jny n THR 201 Cb 0.22 0.36 -0.04 0.00 -2.10 0.00 0.00 70.33 68.77 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 -1.35 -0.23 0.39 4.78 -3.43 -1.24 -5.06 115.29 109.14 1jny s HIS 202 Ca 0.15 0.30 -0.28 0.00 -0.80 0.00 0.00 55.06 54.43 1jny s HIS 202 Cb 0.10 0.49 -0.10 0.00 -1.43 0.00 0.00 32.58 31.64 1jny s HIS 202 CO 0.07 -0.27 1.46 0.15 -2.00 0.00 0.00 174.74 174.15 1jny s LYS 203 N -1.75 4.06 0.01 -0.38 -0.14 -1.26 -0.08 119.74 120.20 1jny s LYS 203 Ca 0.05 2.51 -0.25 0.00 -1.36 0.00 0.00 55.97 56.91 1jny s LYS 203 Cb -0.01 -2.92 -0.17 0.00 -1.68 0.00 0.00 37.83 33.06 1jny s LYS 203 CO -0.04 -0.55 1.24 1.03 -0.76 0.00 0.00 175.35 176.28 1jny h SER 204 N 2.91 -0.32 0.00 2.83 0.87 -1.91 -3.41 113.55 114.52 1jny h SER 204 Ca -0.51 -0.19 0.00 0.00 -1.23 0.00 0.00 61.79 59.87 1jny h SER 204 Cb 1.24 0.08 0.00 0.00 -0.44 0.00 0.00 62.40 63.29 1jny h SER 204 CO 0.64 0.04 0.00 -0.62 -0.53 0.00 0.00 176.83 176.36 1jny n GLU 205 N -5.11 0.00 0.00 2.24 1.02 -1.26 -4.72 120.64 112.81 1jny n GLU 205 Ca -0.09 0.00 0.14 0.00 -0.02 0.00 0.00 57.16 57.19 1jny n GLU 205 Cb 0.26 -0.10 0.63 0.00 -0.02 0.00 0.00 31.44 32.20 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 0.64 0.70 -3.18 1.62 3.02 -1.26 -4.10 115.26 112.69 1jny n ASN 206 Ca 0.00 -0.91 -0.19 0.00 -0.03 0.00 0.00 54.58 53.46 1jny n ASN 206 Cb 0.00 -0.02 -0.03 0.00 -0.61 0.00 0.00 39.78 39.12 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 -0.66 1.08 0.00 3.52 2.81 -1.26 -4.77 117.12 117.85 1jny n MET 207 Ca 0.17 -3.45 0.02 0.00 -1.81 0.00 0.00 57.70 52.62 1jny n MET 207 Cb 0.27 -1.72 0.09 0.00 -0.71 0.00 0.00 33.22 31.15 1jny n MET 207 CO 0.00 0.00 0.00 1.63 1.51 0.00 0.00 175.97 179.11 1jny n LYS 208 N 0.29 0.04 0.04 0.03 4.76 -1.26 -0.84 118.16 121.23 1jny n LYS 208 Ca 0.25 0.28 0.13 0.00 -2.87 0.00 0.00 58.31 56.10 1jny n LYS 208 Cb 0.64 -1.50 0.42 0.00 -1.84 0.00 0.00 35.03 32.75 1jny n LYS 208 CO 0.00 0.00 0.00 -2.67 -1.37 0.00 0.00 177.40 173.36 1jny n TRP 209 N -1.32 0.33 -3.63 2.13 4.27 -1.26 -4.70 117.44 113.27 1jny n TRP 209 Ca 0.02 0.10 -0.39 0.00 -3.89 0.00 0.00 57.50 53.34 1jny n TRP 209 Cb 0.03 -0.59 -0.11 0.00 -1.36 0.00 0.00 31.31 29.28 1jny n TRP 209 CO 0.00 0.00 0.00 -0.47 -2.29 0.00 0.00 177.69 174.93 1jny s TYR 210 N -3.05 3.19 -0.21 -2.67 5.04 -0.02 -4.93 117.35 114.69 1jny s TYR 210 Ca 0.11 -0.37 0.12 0.00 -2.44 0.00 0.00 57.07 54.49 1jny s TYR 210 Cb 0.16 -2.38 0.25 0.00 0.35 0.00 0.00 41.96 40.34 1jny s TYR 210 CO 0.61 -0.38 1.17 0.09 -1.34 0.00 0.00 175.55 175.70 1jny n ASN 211 N 5.02 2.61 -4.22 4.32 4.13 -1.26 -5.00 115.26 120.86 1jny n ASN 211 Ca -0.14 -2.60 -0.28 0.00 1.68 0.00 0.00 54.58 53.25 1jny n ASN 211 Cb 0.50 -0.29 0.17 0.00 -1.54 0.00 0.00 39.78 38.62 1jny n ASN 211 CO 0.00 0.00 0.00 -0.83 0.28 0.00 0.00 177.26 176.71 1jny s GLY 212 N -1.88 1.79 0.68 7.41 0.00 -1.26 -5.05 107.32 109.02 1jny s GLY 212 Ca 0.23 -1.55 -0.15 0.00 0.00 0.00 0.00 44.72 43.25 1jny s GLY 212 CO 0.05 -0.80 1.15 -4.14 0.00 0.00 0.00 173.10 169.36 1jny s PRO 213 N -5.66 2.56 0.82 2.90 0.02 -1.26 -5.04 135.00 129.34 1jny s PRO 213 Ca 0.73 1.56 -0.12 0.00 0.02 0.00 0.00 61.00 63.19 1jny s PRO 213 Cb -0.03 -1.91 0.10 0.00 0.02 0.00 0.00 34.50 32.68 1jny s PRO 213 CO 0.50 -1.47 1.18 0.95 -0.33 0.00 0.00 177.00 177.84 1jny s THR 214 N -2.16 2.04 0.22 0.99 -4.23 -1.26 -4.84 115.64 106.39 1jny s THR 214 Ca 0.70 -0.04 -0.08 0.00 -1.18 0.00 0.00 61.69 61.09 1jny s THR 214 Cb -0.24 -2.99 0.16 0.00 1.34 0.00 0.00 72.50 70.76 1jny s THR 214 CO 0.42 0.00 1.79 0.25 -0.54 0.00 0.00 174.62 176.54 1jny h LEU 215 N -1.09 0.50 -0.52 4.79 7.12 -0.60 -1.19 115.31 124.33 1jny h LEU 215 Ca -0.45 0.04 -0.01 0.00 0.13 0.00 0.00 57.88 57.59 1jny h LEU 215 Cb 1.31 -0.05 -0.02 0.00 -0.53 0.00 0.00 40.66 41.37 1jny h LEU 215 CO 0.60 0.31 0.29 -0.08 -0.13 0.00 0.00 178.44 179.43 1jny h GLU 216 N 0.64 0.72 -0.13 1.25 4.81 -1.45 -1.42 114.58 119.00 1jny h GLU 216 Ca 0.32 -0.08 -0.03 0.00 -0.13 0.00 0.00 59.36 59.44 1jny h GLU 216 Cb 0.27 -0.14 -0.01 0.00 0.63 0.00 0.00 28.75 29.50 1jny h GLU 216 CO -0.22 0.56 -0.04 0.93 -0.73 0.00 0.00 179.01 179.50 1jny h GLU 217 N 0.69 0.18 -0.22 1.92 5.08 -1.56 -1.85 114.58 118.83 1jny h GLU 217 Ca 0.18 -0.03 -0.19 0.00 -1.00 0.00 0.00 59.36 58.33 1jny h GLU 217 Cb 0.04 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.26 1jny h GLU 217 CO -0.03 0.24 -0.61 1.88 -1.00 0.00 0.00 179.01 179.49 1jny h TYR 218 N 0.18 0.96 -0.96 4.33 0.05 -0.60 -2.77 116.97 118.16 1jny h TYR 218 Ca 0.04 -0.37 -0.00 0.00 0.05 0.00 0.00 58.73 58.45 1jny h TYR 218 Cb 0.20 -0.17 -0.05 0.00 1.01 0.00 0.00 36.73 37.72 1jny h TYR 218 CO 0.00 1.17 0.59 -0.07 -1.05 0.00 0.00 178.16 178.80 1jny h LEU 219 N 0.55 1.14 -1.54 3.88 3.38 -0.69 -0.08 115.31 121.95 1jny h LEU 219 Ca -0.01 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 57.90 1jny h LEU 219 Cb 1.21 -0.29 0.00 0.00 0.09 0.00 0.00 40.66 41.67 1jny h LEU 219 CO 0.13 0.86 0.00 0.44 0.09 0.00 0.00 178.44 179.96 1jny h ASP 220 N 1.31 0.00 0.65 -0.43 3.32 -1.18 -1.66 116.42 118.44 1jny h ASP 220 Ca 0.34 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.39 1jny h ASP 220 Cb -0.08 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.47 1jny h ASP 220 CO -0.07 0.00 -0.48 0.00 -1.72 0.00 0.00 179.24 176.98 1jny n GLN 221 N -2.74 0.07 -1.20 3.56 6.02 -0.07 -4.89 117.38 118.13 1jny n GLN 221 Ca 0.00 0.02 -0.34 0.00 -0.01 0.00 0.00 57.00 56.67 1jny n GLN 221 Cb 0.20 -1.55 0.11 0.00 1.02 0.00 0.00 30.24 30.03 1jny n GLN 221 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 1jny n LEU 222 N -1.66 4.16 -4.15 1.08 4.32 -0.63 -5.04 117.00 115.09 1jny n LEU 222 Ca 0.05 0.61 -0.25 0.00 -0.02 0.00 0.00 56.01 56.41 1jny n LEU 222 Cb 0.36 -1.48 -0.15 0.00 -1.62 0.00 0.00 43.42 40.53 1jny n LEU 222 CO 0.34 -1.80 -0.50 -1.83 -1.22 0.00 0.00 177.39 172.39 1jny s GLU 223 N -3.86 1.46 0.13 3.23 4.04 -1.26 -5.08 118.70 117.37 1jny s GLU 223 Ca 0.73 -0.60 -0.31 0.00 0.04 0.00 0.00 54.97 54.83 1jny s GLU 223 Cb -0.31 -1.37 -0.11 0.00 0.02 0.00 0.00 34.13 32.36 1jny s GLU 223 CO 0.50 0.33 1.82 1.28 -1.84 0.00 0.00 175.26 177.36 1jny n LEU 224 N 2.78 4.04 -4.63 1.83 7.99 -1.26 -4.82 117.00 122.93 1jny n LEU 224 Ca -0.15 1.00 -0.54 0.00 -0.01 0.00 0.00 56.01 56.30 1jny n LEU 224 Cb 0.54 -1.55 -0.06 0.00 -0.11 0.00 0.00 43.42 42.23 1jny n LEU 224 CO 0.24 0.18 1.04 -2.65 -1.51 0.00 0.00 177.39 174.69 1jny n PRO 225 N 5.42 1.11 -1.64 3.23 -0.02 -1.26 -4.93 135.00 136.91 1jny n PRO 225 Ca 0.18 0.40 -0.30 0.00 -2.02 0.00 0.00 63.50 61.76 1jny n PRO 225 Cb 0.37 -2.06 0.09 0.00 -0.02 0.00 0.00 33.50 31.88 1jny n PRO 225 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 1jny s PRO 226 N 1.55 2.11 0.37 0.52 0.04 -1.26 -5.04 135.00 133.29 1jny s PRO 226 Ca 0.90 0.53 -0.25 0.00 0.04 0.00 0.00 61.00 62.21 1jny s PRO 226 Cb -1.01 -1.93 -0.09 0.00 0.04 0.00 0.00 34.50 31.51 1jny s PRO 226 CO 0.54 -1.57 1.07 0.15 0.04 0.00 0.00 177.00 177.22 1jny s LYS 227 N -5.24 4.26 0.00 4.56 3.01 -1.26 -4.90 119.74 120.18 1jny s LYS 227 Ca 0.61 1.60 -0.02 0.00 -1.01 0.00 0.00 55.97 57.15 1jny s LYS 227 Cb -0.14 -2.70 -0.08 0.00 -1.01 0.00 0.00 37.83 33.90 1jny s LYS 227 CO 0.53 -0.07 1.78 -0.35 0.51 0.00 0.00 175.35 177.75 1jny n PRO 228 N 0.23 0.89 0.18 -1.68 -0.04 -1.26 -4.39 135.00 128.93 1jny n PRO 228 Ca 0.04 -0.31 0.02 0.00 -0.04 0.00 0.00 63.50 63.21 1jny n PRO 228 Cb 0.48 -1.52 0.35 0.00 -0.04 0.00 0.00 33.50 32.77 1jny n PRO 228 CO 0.00 0.00 0.00 -0.39 -0.04 0.00 0.00 175.50 175.07 1jny h VAL 229 N 1.96 1.27 -0.01 0.52 -1.51 -1.91 0.24 116.25 116.80 1jny h VAL 229 Ca 0.06 -1.33 0.00 0.00 -1.23 0.00 0.00 66.70 64.19 1jny h VAL 229 Cb 0.74 1.72 0.00 0.00 -2.13 0.00 0.00 31.29 31.62 1jny h VAL 229 CO 0.18 0.38 -0.04 -0.90 -1.23 0.00 0.00 177.57 175.97 1jny n ASP 230 N -4.06 0.78 -4.97 4.19 5.68 -1.26 -4.13 116.55 112.78 1jny n ASP 230 Ca -0.02 -1.11 -0.21 0.00 -0.50 0.00 0.00 54.79 52.95 1jny n ASP 230 Cb 0.42 -0.01 0.01 0.00 -1.14 0.00 0.00 41.12 40.41 1jny n ASP 230 CO 0.00 0.00 0.00 -0.54 -1.33 0.00 0.00 177.20 175.33 1jny s LYS 231 N -2.13 2.94 0.52 0.11 1.02 -0.97 -4.98 119.74 116.24 1jny s LYS 231 Ca 0.38 -0.77 -0.23 0.00 0.02 0.00 0.00 55.97 55.38 1jny s LYS 231 Cb 0.21 -2.63 -0.06 0.00 -0.52 0.00 0.00 37.83 34.83 1jny s LYS 231 CO 0.39 -0.28 1.37 -2.14 -0.92 0.00 0.00 175.35 173.77 1jny s PRO 232 N -4.48 3.30 0.37 -1.68 0.02 -1.26 -2.82 135.00 128.45 1jny s PRO 232 Ca 0.50 2.28 -0.28 0.00 0.02 0.00 0.00 61.00 63.52 1jny s PRO 232 Cb -0.10 -2.37 -0.10 0.00 0.02 0.00 0.00 34.50 31.95 1jny s PRO 232 CO 0.36 -1.08 1.38 -1.17 -0.33 0.00 0.00 177.00 176.16 1jny s LEU 233 N -3.30 4.32 -0.18 -5.54 2.96 -1.26 -3.16 118.68 112.51 1jny s LEU 233 Ca 0.69 2.83 -0.06 0.00 -0.22 0.00 0.00 54.13 57.37 1jny s LEU 233 Cb -0.41 -3.73 0.09 0.00 0.50 0.00 0.00 46.19 42.63 1jny s LEU 233 CO 0.50 -0.78 0.36 -0.13 -1.32 0.00 0.00 176.35 174.97 1jny s ARG 234 N -2.05 0.26 -0.36 1.98 1.81 -0.82 -4.34 118.95 115.44 1jny s ARG 234 Ca 0.53 0.85 0.00 0.00 -1.72 0.00 0.00 55.73 55.39 1jny s ARG 234 Cb -0.42 0.05 0.12 0.00 -0.45 0.00 0.00 34.95 34.25 1jny s ARG 234 CO 0.56 -0.33 0.17 0.42 -0.68 0.00 0.00 175.30 175.44 1jny s ILE 235 N 2.53 0.86 0.21 1.52 1.01 -0.18 -0.87 121.20 126.28 1jny s ILE 235 Ca 0.02 -1.79 -0.31 0.00 0.00 0.00 0.00 60.65 58.57 1jny s ILE 235 Cb -0.13 -1.63 -0.10 0.00 0.01 0.00 0.00 42.46 40.62 1jny s ILE 235 CO -0.12 -0.81 1.45 -2.84 0.00 0.00 0.00 174.94 172.63 1jny s PRO 236 N 1.14 4.27 -0.17 2.79 0.02 -1.25 -1.51 135.00 140.29 1jny s PRO 236 Ca 0.14 2.26 -0.28 0.00 0.02 0.00 0.00 61.00 63.14 1jny s PRO 236 Cb -0.21 -3.15 -0.00 0.00 0.02 0.00 0.00 34.50 31.16 1jny s PRO 236 CO -0.13 -0.45 0.96 0.42 -0.33 0.00 0.00 177.00 177.48 1jny s ILE 237 N 0.41 4.77 -0.13 2.83 -1.09 0.65 -3.83 121.20 124.81 1jny s ILE 237 Ca 0.62 1.91 -0.09 0.00 -2.23 0.00 0.00 60.65 60.86 1jny s ILE 237 Cb -0.41 -4.26 -0.25 0.00 -1.58 0.00 0.00 42.46 35.96 1jny s ILE 237 CO 0.38 -0.06 0.34 1.67 -1.23 0.00 0.00 174.94 176.04 1jny n GLN 238 N 5.58 0.73 -3.77 2.79 -0.06 0.13 -0.83 117.38 121.96 1jny n GLN 238 Ca 0.09 0.31 -0.10 0.00 -2.00 0.00 0.00 57.00 55.30 1jny n GLN 238 Cb 0.48 -1.71 -0.05 0.00 -4.06 0.00 0.00 30.24 24.89 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 -7.02 -0.16 -0.01 1.69 1.01 -1.04 -4.64 116.67 106.49 1jny s ASP 239 Ca -0.23 -0.54 0.00 0.00 0.71 0.00 0.00 52.55 52.49 1jny s ASP 239 Cb 0.07 0.51 0.01 0.00 1.01 0.00 0.00 42.92 44.52 1jny s ASP 239 CO 0.74 -0.95 0.00 0.54 0.21 0.00 0.00 175.17 175.72 1jny s VAL 240 N -3.88 0.06 0.38 -1.27 0.11 -1.26 -0.12 120.40 114.42 1jny s VAL 240 Ca 0.09 0.06 0.04 0.00 -2.93 0.00 0.00 61.98 59.24 1jny s VAL 240 Cb 0.01 -0.12 -0.05 0.00 -1.53 0.00 0.00 36.38 34.69 1jny s VAL 240 CO -0.05 0.07 0.06 -0.31 -3.33 0.00 0.00 175.10 171.54 1jny s TYR 241 N 0.50 2.00 -0.30 1.54 2.02 -0.20 -4.96 117.35 117.95 1jny s TYR 241 Ca -0.04 -0.99 -0.01 0.00 -0.37 0.00 0.00 57.07 55.66 1jny s TYR 241 Cb -0.07 -1.37 0.13 0.00 -0.40 0.00 0.00 41.96 40.25 1jny s TYR 241 CO -0.01 0.04 0.24 -1.12 -1.57 0.00 0.00 175.55 173.13 1jny s SER 242 N -3.59 2.33 0.13 2.29 0.01 -1.25 -0.21 113.70 113.42 1jny s SER 242 Ca 0.30 -1.11 -0.25 0.00 1.31 0.00 0.00 55.95 56.20 1jny s SER 242 Cb 0.07 0.17 -0.07 0.00 0.21 0.00 0.00 66.02 66.39 1jny s SER 242 CO 0.14 -0.39 0.75 -0.63 0.41 0.00 0.00 173.24 173.52 1jny s ILE 243 N 2.10 4.47 0.20 1.44 -1.09 0.11 -4.88 121.20 123.54 1jny s ILE 243 Ca 0.11 1.64 -0.31 0.00 -2.23 0.00 0.00 60.65 59.85 1jny s ILE 243 Cb -0.15 -4.11 -0.11 0.00 -1.58 0.00 0.00 42.46 36.51 1jny s ILE 243 CO -0.29 0.50 1.61 -0.55 -1.23 0.00 0.00 174.94 174.97 1jny s SER 244 N -0.95 6.50 0.00 3.58 0.15 -1.26 -0.09 113.70 121.63 1jny s SER 244 Ca 0.35 2.74 0.00 0.00 0.70 0.00 0.00 55.95 59.74 1jny s SER 244 Cb -0.22 -2.60 0.00 0.00 -1.71 0.00 0.00 66.02 61.48 1jny s SER 244 CO 0.25 -0.87 0.00 0.61 1.20 0.00 0.00 173.24 174.43 1jny n GLY 245 N 3.47 1.65 0.59 9.45 0.00 -1.26 -4.66 105.19 114.43 1jny n GLY 245 Ca 0.13 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.03 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 -2.00 0.89 0.00 1.61 0.31 -0.82 -5.14 118.33 113.18 1jny n VAL 246 Ca 0.00 -0.07 0.00 0.00 -0.01 0.00 0.00 64.34 64.26 1jny n VAL 246 Cb 0.00 -1.75 0.00 0.00 -0.91 0.00 0.00 33.84 31.18 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 2.26 0.49 3.67 2.92 0.00 0.87 -4.94 105.19 110.46 1jny n GLY 247 Ca -0.21 -2.19 -0.43 0.00 0.00 0.00 0.00 46.02 43.19 1jny n GLY 247 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1jny s THR 248 N -0.24 4.69 -0.35 2.61 -4.23 -1.26 0.04 115.64 116.90 1jny s THR 248 Ca 0.00 2.01 0.02 0.00 -1.18 0.00 0.00 61.69 62.54 1jny s THR 248 Cb 0.00 -4.29 0.11 0.00 1.34 0.00 0.00 72.50 69.65 1jny s THR 248 CO 0.00 -0.11 0.10 0.54 -0.54 0.00 0.00 174.62 174.61 1jny s VAL 249 N 2.77 1.74 0.65 2.29 0.11 0.71 -1.89 120.40 126.78 1jny s VAL 249 Ca 0.46 -2.10 -0.13 0.00 -2.93 0.00 0.00 61.98 57.28 1jny s VAL 249 Cb -0.17 -2.28 -0.01 0.00 -1.53 0.00 0.00 36.38 32.39 1jny s VAL 249 CO 0.11 -0.67 1.06 -2.84 -3.33 0.00 0.00 175.10 169.43 1jny s PRO 250 N 1.02 3.10 -0.03 1.54 0.02 -1.08 -1.03 135.00 138.54 1jny s PRO 250 Ca 0.12 1.06 0.02 0.00 0.02 0.00 0.00 61.00 62.22 1jny s PRO 250 Cb -0.19 -2.01 0.01 0.00 0.02 0.00 0.00 34.50 32.32 1jny s PRO 250 CO -0.13 -0.97 -0.09 0.08 -0.33 0.00 0.00 177.00 175.56 1jny s VAL 251 N -2.79 0.77 -0.00 3.83 1.01 0.83 -1.69 120.40 122.35 1jny s VAL 251 Ca 0.60 -0.34 -0.28 0.00 0.00 0.00 0.00 61.98 61.96 1jny s VAL 251 Cb -0.15 -0.69 0.10 0.00 0.00 0.00 0.00 36.38 35.64 1jny s VAL 251 CO 0.47 0.25 1.27 -0.83 0.00 0.00 0.00 175.10 176.26 1jny s GLY 252 N 0.30 -0.15 -0.14 4.51 0.00 -0.27 0.17 107.32 111.74 1jny s GLY 252 Ca -0.05 0.11 -0.05 0.00 0.00 0.00 0.00 44.72 44.74 1jny s GLY 252 CO 0.01 4.59 0.03 -1.60 0.00 0.00 0.00 173.10 176.12 1jny s ARG 253 N -2.09 3.51 -0.26 2.90 3.52 -1.25 -0.32 118.95 124.95 1jny s ARG 253 Ca 0.27 -0.38 -0.29 0.00 -0.13 0.00 0.00 55.73 55.20 1jny s ARG 253 Cb 0.00 -3.01 -0.01 0.00 -1.56 0.00 0.00 34.95 30.38 1jny s ARG 253 CO -0.01 0.48 1.41 0.08 -0.81 0.00 0.00 175.30 176.45 1jny s VAL 254 N -0.23 3.99 -0.59 7.11 1.01 -0.24 -3.86 120.40 127.58 1jny s VAL 254 Ca 0.07 1.12 0.22 0.00 0.00 0.00 0.00 61.98 63.39 1jny s VAL 254 Cb -0.12 -3.98 -0.21 0.00 0.00 0.00 0.00 36.38 32.06 1jny s VAL 254 CO 0.02 -0.39 0.84 -0.62 0.00 0.00 0.00 175.10 174.95 1jny n GLU 255 N 7.39 0.29 -3.51 2.72 -0.58 -0.05 -0.21 120.64 126.68 1jny n GLU 255 Ca 0.16 -0.05 -0.12 0.00 -0.42 0.00 0.00 57.16 56.73 1jny n GLU 255 Cb 0.46 -1.54 -0.04 0.00 -0.57 0.00 0.00 31.44 29.75 1jny n GLU 255 CO 0.00 0.00 0.00 0.45 -0.48 0.00 0.00 177.13 177.10 1jny s SER 256 N -3.76 -0.48 0.54 1.62 0.15 -1.18 -4.84 113.70 105.75 1jny s SER 256 Ca 0.02 0.30 0.00 0.00 0.70 0.00 0.00 55.95 56.97 1jny s SER 256 Cb 0.15 0.44 0.00 0.00 -1.71 0.00 0.00 66.02 64.90 1jny s SER 256 CO 0.85 -0.60 0.00 0.61 1.20 0.00 0.00 173.24 175.30 1jny n GLY 257 N 0.30 -1.16 2.98 9.45 0.00 0.79 -1.94 105.19 115.61 1jny n GLY 257 Ca -0.13 -1.16 -0.17 0.00 0.00 0.00 0.00 46.02 44.56 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 0.55 -0.15 1.61 1.01 -1.26 -3.60 120.40 118.56 1jny s VAL 258 Ca 0.00 -0.29 -0.02 0.00 0.00 0.00 0.00 61.98 61.67 1jny s VAL 258 Cb 0.00 -0.47 -0.02 0.00 0.00 0.00 0.00 36.38 35.89 1jny s VAL 258 CO 0.00 0.16 -0.07 -0.22 0.00 0.00 0.00 175.10 174.97 1jny s LEU 259 N -0.10 3.02 0.04 3.92 2.96 -0.51 -4.84 118.68 123.17 1jny s LEU 259 Ca 0.02 -0.23 0.08 0.00 -0.22 0.00 0.00 54.13 53.78 1jny s LEU 259 Cb -0.03 -1.71 -0.03 0.00 0.50 0.00 0.00 46.19 44.92 1jny s LEU 259 CO -0.00 0.15 -0.22 -0.54 -1.32 0.00 0.00 176.35 174.42 1jny s LYS 260 N 0.46 1.47 0.29 1.98 1.02 -1.26 -0.18 119.74 123.52 1jny s LYS 260 Ca -0.06 -0.95 -0.30 0.00 0.02 0.00 0.00 55.97 54.68 1jny s LYS 260 Cb -0.15 -1.58 -0.12 0.00 -0.52 0.00 0.00 37.83 35.45 1jny s LYS 260 CO 0.04 0.41 1.45 0.28 -0.92 0.00 0.00 175.35 176.61 1jny n VAL 261 N 1.88 1.24 -0.01 3.17 0.31 0.06 -1.15 118.33 123.83 1jny n VAL 261 Ca -0.17 -0.31 0.00 0.00 -0.01 0.00 0.00 64.34 63.85 1jny n VAL 261 Cb 0.53 -1.69 0.00 0.00 -0.91 0.00 0.00 33.84 31.77 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 1.79 0.38 3.77 2.92 0.00 0.16 -5.01 105.19 109.20 1jny n GLY 262 Ca 0.09 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.72 1jny n GLY 262 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1jny s ASP 263 N -2.32 6.41 0.04 1.61 1.01 -0.30 -4.64 116.67 118.48 1jny s ASP 263 Ca 0.00 2.47 -0.21 0.00 0.71 0.00 0.00 52.55 55.53 1jny s ASP 263 Cb 0.00 -2.62 -0.06 0.00 1.01 0.00 0.00 42.92 41.25 1jny s ASP 263 CO 0.00 -0.76 0.61 -0.54 0.21 0.00 0.00 175.17 174.68 1jny s LYS 264 N -2.28 4.30 0.04 8.23 3.01 -1.26 -0.21 119.74 131.56 1jny s LYS 264 Ca 0.57 0.78 0.03 0.00 -1.01 0.00 0.00 55.97 56.35 1jny s LYS 264 Cb -0.34 -3.30 -0.02 0.00 -1.01 0.00 0.00 37.83 33.17 1jny s LYS 264 CO 0.43 0.49 -0.10 -1.50 0.51 0.00 0.00 175.35 175.18 1jny s ILE 265 N -0.62 0.76 -0.10 2.17 1.10 0.16 -4.26 121.20 120.41 1jny s ILE 265 Ca 0.31 -0.93 0.03 0.00 -0.51 0.00 0.00 60.65 59.56 1jny s ILE 265 Cb -0.19 -0.74 -0.01 0.00 0.15 0.00 0.00 42.46 41.68 1jny s ILE 265 CO 0.19 -0.16 -0.21 0.54 -2.11 0.00 0.00 174.94 173.19 1jny s VAL 266 N -0.98 2.37 -0.28 4.00 0.11 0.55 0.00 120.40 126.17 1jny s VAL 266 Ca -0.03 -0.92 -0.11 0.00 -2.93 0.00 0.00 61.98 57.99 1jny s VAL 266 Cb -0.08 -1.92 -0.04 0.00 -1.53 0.00 0.00 36.38 32.81 1jny s VAL 266 CO 0.01 0.55 0.18 -0.36 -3.33 0.00 0.00 175.10 172.15 1jny s PHE 267 N 0.17 3.20 0.12 1.54 0.40 0.61 -1.25 117.98 122.77 1jny s PHE 267 Ca -0.12 -0.03 0.03 0.00 -0.60 0.00 0.00 56.93 56.21 1jny s PHE 267 Cb -0.16 -2.37 -0.04 0.00 0.51 0.00 0.00 43.02 40.96 1jny s PHE 267 CO 0.07 -0.23 0.18 -1.64 0.70 0.00 0.00 175.22 174.30 1jny s MET 268 N 1.73 3.17 0.00 0.44 -1.94 0.10 0.58 119.30 123.37 1jny s MET 268 Ca 0.07 -0.66 0.29 0.00 -1.71 0.00 0.00 55.69 53.68 1jny s MET 268 Cb -0.16 -2.84 1.35 0.00 2.01 0.00 0.00 34.83 35.19 1jny s MET 268 CO 0.10 0.54 1.94 -2.30 -0.01 0.00 0.00 175.02 175.29 1jny n PRO 269 N -0.07 0.65 -0.16 2.03 -0.02 -1.26 -1.93 135.00 134.24 1jny n PRO 269 Ca -0.07 -0.16 0.20 0.00 -2.02 0.00 0.00 63.50 61.45 1jny n PRO 269 Cb 0.53 -1.50 0.59 0.00 -0.02 0.00 0.00 33.50 33.10 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 3.60 2.36 -0.10 3.55 0.00 -1.82 -3.45 119.26 123.39 1jny h ALA 270 Ca 0.00 -0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.86 1jny h ALA 270 Cb 0.31 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.08 1jny h ALA 270 CO 0.00 -0.58 -0.04 0.41 0.00 0.00 0.00 179.25 179.04 1jny n GLY 271 N -1.58 0.54 3.78 0.00 0.00 0.20 -5.01 105.19 103.11 1jny n GLY 271 Ca 0.16 -0.32 -0.39 0.00 0.00 0.00 0.00 46.02 45.46 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 -1.26 4.57 0.19 1.61 -0.14 -1.13 -4.82 119.74 118.76 1jny s LYS 272 Ca 0.00 1.16 0.07 0.00 -1.36 0.00 0.00 55.97 55.85 1jny s LYS 272 Cb 0.00 -3.26 -0.04 0.00 -1.68 0.00 0.00 37.83 32.85 1jny s LYS 272 CO 0.00 0.57 0.03 0.08 -0.76 0.00 0.00 175.35 175.27 1jny s VAL 273 N -1.14 3.85 0.18 3.17 1.01 -1.26 -0.29 120.40 125.93 1jny s VAL 273 Ca 0.36 -1.42 -0.06 0.00 0.00 0.00 0.00 61.98 60.85 1jny s VAL 273 Cb -0.23 -2.96 0.03 0.00 0.00 0.00 0.00 36.38 33.21 1jny s VAL 273 CO 0.26 -0.15 0.35 0.61 0.00 0.00 0.00 175.10 176.17 1jny n GLY 274 N -0.29 1.60 3.15 4.51 0.00 0.10 -4.50 105.19 109.76 1jny n GLY 274 Ca -0.09 -1.14 -0.25 0.00 0.00 0.00 0.00 46.02 44.53 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 -2.06 1.61 -0.30 1.61 2.12 -0.26 0.40 118.70 121.82 1jny s GLU 275 Ca 0.08 -0.61 -0.29 0.00 0.36 0.00 0.00 54.97 54.50 1jny s GLU 275 Cb -0.02 -1.47 0.01 0.00 0.26 0.00 0.00 34.13 32.92 1jny s GLU 275 CO 0.06 0.30 1.09 0.08 -0.54 0.00 0.00 175.26 176.25 1jny s VAL 276 N -0.16 4.50 -0.06 3.70 1.01 0.71 -0.73 120.40 129.37 1jny s VAL 276 Ca 0.01 1.75 -0.13 0.00 0.00 0.00 0.00 61.98 63.61 1jny s VAL 276 Cb -0.09 -4.37 -0.30 0.00 0.00 0.00 0.00 36.38 31.62 1jny s VAL 276 CO 0.01 -0.42 0.64 0.03 0.00 0.00 0.00 175.10 175.36 1jny h ARG 277 N 8.08 0.35 -3.45 2.72 2.47 -0.97 0.45 114.38 124.03 1jny h ARG 277 Ca -0.21 -0.60 -0.03 0.00 -1.26 0.00 0.00 59.98 57.87 1jny h ARG 277 Cb 1.06 0.22 -0.10 0.00 -1.65 0.00 0.00 29.97 29.51 1jny h ARG 277 CO 1.02 1.29 -0.04 -1.54 0.56 0.00 0.00 179.97 181.26 1jny s SER 278 N -7.22 -0.17 0.01 7.04 1.04 -1.21 -4.69 113.70 108.49 1jny s SER 278 Ca -0.17 -0.67 -0.01 0.00 0.48 0.00 0.00 55.95 55.58 1jny s SER 278 Cb 0.05 0.57 -0.01 0.00 0.10 0.00 0.00 66.02 66.73 1jny s SER 278 CO 0.83 -1.08 0.01 -0.63 0.98 0.00 0.00 173.24 173.35 1jny s ILE 279 N -3.93 0.07 -0.03 -1.02 1.01 -1.25 -1.90 121.20 114.15 1jny s ILE 279 Ca 0.14 -0.56 -0.01 0.00 0.00 0.00 0.00 60.65 60.22 1jny s ILE 279 Cb -0.01 -0.20 0.03 0.00 0.01 0.00 0.00 42.46 42.29 1jny s ILE 279 CO 0.02 -0.31 0.05 -0.70 0.00 0.00 0.00 174.94 174.00 1jny s GLU 280 N -0.93 -0.01 -0.11 2.79 2.12 -0.03 -1.17 118.70 121.37 1jny s GLU 280 Ca -0.10 0.22 0.01 0.00 0.36 0.00 0.00 54.97 55.45 1jny s GLU 280 Cb -0.06 -0.22 0.02 0.00 0.26 0.00 0.00 34.13 34.13 1jny s GLU 280 CO -0.00 -0.16 -0.10 0.99 -0.54 0.00 0.00 175.26 175.45 1jny s THR 281 N 1.02 1.18 -1.43 -1.70 2.01 -0.24 -1.33 115.64 115.14 1jny s THR 281 Ca -0.08 -0.42 -0.11 0.00 0.31 0.00 0.00 61.69 61.39 1jny s THR 281 Cb -0.12 -1.14 0.04 0.00 0.01 0.00 0.00 72.50 71.30 1jny s THR 281 CO -0.03 0.39 1.09 1.41 -0.69 0.00 0.00 174.62 176.78 1jny n HIS 282 N 4.59 -2.61 -3.55 4.92 8.25 -1.26 -1.67 115.22 123.88 1jny n HIS 282 Ca -0.16 0.97 -0.25 0.00 -0.26 0.00 0.00 57.72 58.02 1jny n HIS 282 Cb 0.50 -4.57 0.06 0.00 1.12 0.00 0.00 29.99 27.10 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 -4.85 -2.63 -4.22 4.41 -0.00 -1.26 -5.00 115.22 101.67 1jny n HIS 283 Ca 0.01 0.91 -0.22 0.00 -0.00 0.00 0.00 57.72 58.43 1jny n HIS 283 Cb 0.55 -4.74 -0.17 0.00 -0.00 0.00 0.00 29.99 25.63 1jny n HIS 283 CO 0.00 0.00 0.00 0.99 -0.00 0.00 0.00 176.34 177.33 1jny s THR 284 N -3.29 0.70 0.01 1.59 2.01 -0.67 -5.11 115.64 110.89 1jny s THR 284 Ca 0.55 -0.20 -0.30 0.00 0.31 0.00 0.00 61.69 62.05 1jny s THR 284 Cb -0.25 -0.71 -0.07 0.00 0.01 0.00 0.00 72.50 71.48 1jny s THR 284 CO 0.68 0.27 1.64 -0.75 -0.69 0.00 0.00 174.62 175.77 1jny s LYS 285 N 0.98 4.20 0.22 4.92 2.20 -1.26 -1.08 119.74 129.91 1jny s LYS 285 Ca -0.10 2.24 0.10 0.00 -0.36 0.00 0.00 55.97 57.85 1jny s LYS 285 Cb -0.14 -3.78 -0.05 0.00 -1.51 0.00 0.00 37.83 32.35 1jny s LYS 285 CO 0.00 -0.77 -0.18 -1.64 -0.36 0.00 0.00 175.35 172.40 1jny s MET 286 N 3.28 1.46 -0.11 4.03 -1.94 -0.32 -4.95 119.30 120.74 1jny s MET 286 Ca 0.73 -1.62 0.08 0.00 -1.71 0.00 0.00 55.69 53.17 1jny s MET 286 Cb -0.36 -1.43 -0.24 0.00 2.01 0.00 0.00 34.83 34.81 1jny s MET 286 CO 0.31 0.26 0.40 -0.25 -0.01 0.00 0.00 175.02 175.73 1jny n ASP 287 N -0.32 1.09 -4.05 3.03 8.00 -1.26 -3.82 116.55 119.22 1jny n ASP 287 Ca -0.08 0.24 -0.10 0.00 0.71 0.00 0.00 54.79 55.56 1jny n ASP 287 Cb 0.59 -0.07 -0.08 0.00 -0.02 0.00 0.00 41.12 41.55 1jny n ASP 287 CO 0.00 0.00 0.00 -1.59 -0.39 0.00 0.00 177.20 175.22 1jny s LYS 288 N -2.56 1.14 -0.01 -1.24 -2.85 -1.26 -0.76 119.74 112.20 1jny s LYS 288 Ca -0.12 -1.31 0.02 0.00 -1.00 0.00 0.00 55.97 53.55 1jny s LYS 288 Cb 0.07 0.34 -0.00 0.00 -2.06 0.00 0.00 37.83 36.18 1jny s LYS 288 CO 0.79 -0.40 -0.05 0.00 0.10 0.00 0.00 175.35 175.80 1jny s ALA 289 N -4.02 0.45 0.39 0.59 0.00 0.75 -4.98 121.76 114.94 1jny s ALA 289 Ca 0.22 -0.19 0.08 0.00 0.00 0.00 0.00 51.96 52.07 1jny s ALA 289 Cb 0.05 -0.15 -0.06 0.00 0.00 0.00 0.00 23.12 22.95 1jny s ALA 289 CO 0.03 0.09 0.06 -1.21 0.00 0.00 0.00 175.76 174.73 1jny s GLU 290 N 0.02 2.07 0.10 0.00 2.02 -1.26 -1.42 118.70 120.23 1jny s GLU 290 Ca 0.00 -1.92 -0.36 0.00 0.02 0.00 0.00 54.97 52.71 1jny s GLU 290 Cb -0.04 -1.83 -0.16 0.00 0.10 0.00 0.00 34.13 32.20 1jny s GLU 290 CO -0.00 -0.01 1.37 -2.30 0.02 0.00 0.00 175.26 174.33 1jny n PRO 291 N -1.04 1.31 0.00 0.39 -0.02 -1.24 -1.13 135.00 133.27 1jny n PRO 291 Ca -0.03 0.47 0.00 0.00 -2.02 0.00 0.00 63.50 61.92 1jny n PRO 291 Cb 0.65 -2.12 0.00 0.00 -0.02 0.00 0.00 33.50 32.00 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 2.62 3.17 3.67 -1.23 0.00 0.71 -5.00 105.19 109.13 1jny n GLY 292 Ca 0.18 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.77 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 -0.69 6.79 -0.41 1.61 1.01 -0.28 -4.78 116.67 119.91 1jny s ASP 293 Ca 0.00 2.08 -0.22 0.00 0.71 0.00 0.00 52.55 55.13 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 -0.82 0.70 0.21 0.21 0.00 0.00 175.17 175.48 1jny s ASN 294 N 2.50 6.41 0.34 0.27 3.84 -1.26 -1.08 114.94 125.97 1jny s ASN 294 Ca 0.66 -0.03 0.09 0.00 0.21 0.00 0.00 52.86 53.79 1jny s ASN 294 Cb -0.30 -2.35 -0.07 0.00 -0.55 0.00 0.00 41.25 37.98 1jny s ASN 294 CO 0.25 -0.76 -0.07 0.27 -2.79 0.00 0.00 177.10 174.00 1jny s ILE 295 N 2.97 2.09 -0.01 -5.21 -4.36 0.56 -4.27 121.20 112.97 1jny s ILE 295 Ca 0.27 -2.16 0.06 0.00 -0.26 0.00 0.00 60.65 58.55 1jny s ILE 295 Cb -0.13 -2.68 -0.01 0.00 1.25 0.00 0.00 42.46 40.88 1jny s ILE 295 CO 0.19 -0.18 -0.18 -0.83 0.24 0.00 0.00 174.94 174.18 1jny s GLY 296 N -3.60 0.88 -0.07 6.27 0.00 -0.44 -1.11 107.32 109.25 1jny s GLY 296 Ca 0.33 -0.79 -0.10 0.00 0.00 0.00 0.00 44.72 44.16 1jny s GLY 296 CO 0.16 -0.67 0.25 -0.11 0.00 0.00 0.00 173.10 172.73 1jny s PHE 297 N -0.47 -0.22 -0.28 1.90 -0.71 -0.68 -0.85 117.98 116.67 1jny s PHE 297 Ca 0.07 0.49 -0.19 0.00 -1.04 0.00 0.00 56.93 56.26 1jny s PHE 297 Cb -0.07 0.07 -0.02 0.00 -1.21 0.00 0.00 43.02 41.80 1jny s PHE 297 CO -0.00 -0.21 0.57 1.21 -1.34 0.00 0.00 175.22 175.45 1jny s ASN 298 N -0.36 6.47 -0.13 1.98 2.47 -0.80 -2.62 114.94 121.95 1jny s ASN 298 Ca -0.05 0.48 -0.01 0.00 0.42 0.00 0.00 52.86 53.70 1jny s ASN 298 Cb -0.03 -2.30 -0.02 0.00 -1.45 0.00 0.00 41.25 37.44 1jny s ASN 298 CO 0.01 -0.37 -0.10 0.54 -3.72 0.00 0.00 177.10 173.45 1jny s VAL 299 N 2.44 3.30 -0.11 -5.21 0.11 -0.79 -0.26 120.40 119.87 1jny s VAL 299 Ca 0.23 -0.58 -0.03 0.00 -2.93 0.00 0.00 61.98 58.68 1jny s VAL 299 Cb -0.15 -2.40 -0.03 0.00 -1.53 0.00 0.00 36.38 32.26 1jny s VAL 299 CO 0.10 0.52 -0.00 -0.13 -3.33 0.00 0.00 175.10 172.26 1jny s ARG 300 N 0.30 3.22 0.00 1.54 1.81 0.09 -4.32 118.95 121.60 1jny s ARG 300 Ca -0.08 -0.43 0.00 0.00 -1.72 0.00 0.00 55.73 53.50 1jny s ARG 300 Cb -0.15 -2.85 0.00 0.00 -0.45 0.00 0.00 34.95 31.50 1jny s ARG 300 CO 0.05 0.56 0.00 0.41 -0.68 0.00 0.00 175.30 175.64 1jny n GLY 301 N 2.58 0.92 2.77 -3.53 0.00 -1.26 -1.10 105.19 105.57 1jny n GLY 301 Ca -0.18 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.68 1jny n GLY 301 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1jny s VAL 302 N -2.00 -0.04 0.19 1.61 0.11 -1.26 -4.70 120.40 114.31 1jny s VAL 302 Ca 0.00 0.22 -0.30 0.00 -2.93 0.00 0.00 61.98 58.97 1jny s VAL 302 Cb 0.00 -0.10 -0.08 0.00 -1.53 0.00 0.00 36.38 34.67 1jny s VAL 302 CO 0.00 0.10 1.16 -1.61 -3.33 0.00 0.00 175.10 171.42 1jny s GLU 303 N 1.14 4.54 0.56 1.54 2.02 -1.26 -4.84 118.70 122.39 1jny s GLU 303 Ca -0.08 1.81 0.37 0.00 0.02 0.00 0.00 54.97 57.09 1jny s GLU 303 Cb -0.13 -3.25 1.52 0.00 0.10 0.00 0.00 34.13 32.38 1jny s GLU 303 CO -0.03 -0.01 1.75 -0.22 0.02 0.00 0.00 175.26 176.77 1jny h LYS 304 N 5.08 0.00 -0.42 1.61 3.64 -1.94 0.14 116.57 124.68 1jny h LYS 304 Ca -0.45 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.94 1jny h LYS 304 Cb 1.21 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 33.01 1jny h LYS 304 CO 0.73 0.00 0.28 0.87 -2.27 0.00 0.00 179.45 179.06 1jny h LYS 305 N 0.00 0.56 -0.02 1.90 1.79 -2.01 -1.62 116.57 117.17 1jny h LYS 305 Ca 0.57 -0.03 0.00 0.00 -2.18 0.00 0.00 60.65 59.00 1jny h LYS 305 Cb 2.38 -0.13 0.00 0.00 -1.58 0.00 0.00 32.23 32.90 1jny h LYS 305 CO -0.01 0.37 0.00 -0.25 -1.08 0.00 0.00 179.45 178.48 1jny n ASP 306 N -4.47 0.18 -4.06 0.86 8.00 0.49 -4.75 116.55 112.79 1jny n ASP 306 Ca 0.03 -1.44 -0.27 0.00 0.71 0.00 0.00 54.79 53.82 1jny n ASP 306 Cb 0.06 -0.01 -0.17 0.00 -0.02 0.00 0.00 41.12 40.98 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 -1.98 1.39 0.07 0.53 1.09 -0.61 -4.74 121.20 116.95 1jny s ILE 307 Ca 0.29 -0.61 -0.00 0.00 -1.10 0.00 0.00 60.65 59.22 1jny s ILE 307 Cb 0.13 -1.26 -0.04 0.00 -1.06 0.00 0.00 42.46 40.23 1jny s ILE 307 CO 0.22 0.41 -0.03 -0.54 -0.10 0.00 0.00 174.94 174.91 1jny s LYS 308 N 0.76 0.69 0.32 2.79 -0.14 -1.26 -4.91 119.74 117.99 1jny s LYS 308 Ca -0.12 -1.27 -0.29 0.00 -1.36 0.00 0.00 55.97 52.93 1jny s LYS 308 Cb -0.16 0.12 -0.11 0.00 -1.68 0.00 0.00 37.83 36.01 1jny s LYS 308 CO 0.02 -0.11 1.48 0.50 -0.76 0.00 0.00 175.35 176.49 1jny s ARG 309 N -3.92 4.18 0.00 1.68 3.52 -1.26 -2.33 118.95 120.82 1jny s ARG 309 Ca 0.10 2.47 0.00 0.00 -0.13 0.00 0.00 55.73 58.17 1jny s ARG 309 Cb 0.07 -3.03 0.00 0.00 -1.56 0.00 0.00 34.95 30.44 1jny s ARG 309 CO -0.08 -0.48 0.00 0.41 -0.81 0.00 0.00 175.30 174.34 1jny n GLY 310 N 1.30 2.93 3.75 8.12 0.00 -0.01 -4.84 105.19 116.45 1jny n GLY 310 Ca 0.04 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.75 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 -0.68 4.20 -0.03 1.61 1.01 -0.99 -4.49 116.67 117.31 1jny s ASP 311 Ca 0.00 1.75 0.03 0.00 0.71 0.00 0.00 52.55 55.04 1jny s ASP 311 Cb 0.00 -2.43 -0.00 0.00 1.01 0.00 0.00 42.92 41.50 1jny s ASP 311 CO 0.00 -2.21 -0.12 -0.69 0.21 0.00 0.00 175.17 172.36 1jny s VAL 312 N -2.90 0.98 -0.07 -1.27 1.01 -0.81 -0.25 120.40 117.07 1jny s VAL 312 Ca 0.62 -0.48 -0.08 0.00 0.00 0.00 0.00 61.98 62.04 1jny s VAL 312 Cb -0.17 -0.86 -0.04 0.00 0.00 0.00 0.00 36.38 35.30 1jny s VAL 312 CO 0.56 0.29 0.21 -0.69 0.00 0.00 0.00 175.10 175.48 1jny s VAL 313 N 0.10 5.38 0.37 2.92 1.01 -0.57 -0.72 120.40 128.89 1jny s VAL 313 Ca -0.02 0.31 -0.04 0.00 0.00 0.00 0.00 61.98 62.23 1jny s VAL 313 Cb -0.09 -3.49 0.02 0.00 0.00 0.00 0.00 36.38 32.82 1jny s VAL 313 CO 0.01 0.57 0.55 -0.83 0.00 0.00 0.00 175.10 175.40 1jny s GLY 314 N -1.17 1.35 0.22 4.51 0.00 -0.38 -1.01 107.32 110.85 1jny s GLY 314 Ca 0.19 -1.42 -0.17 0.00 0.00 0.00 0.00 44.72 43.32 1jny s GLY 314 CO 0.08 -0.88 0.67 0.30 0.00 0.00 0.00 173.10 173.27 1jny s HIS 315 N -2.76 3.58 0.50 1.90 3.76 -1.26 -0.33 115.29 120.68 1jny s HIS 315 Ca 0.28 1.25 0.29 0.00 -0.15 0.00 0.00 55.06 56.73 1jny s HIS 315 Cb -0.02 -2.52 1.40 0.00 1.11 0.00 0.00 32.58 32.55 1jny s HIS 315 CO 0.20 0.31 1.85 -1.35 -0.85 0.00 0.00 174.74 174.90 1jny h PRO 316 N 3.20 0.10 0.00 8.40 0.11 -1.88 -0.59 132.00 141.34 1jny h PRO 316 Ca -0.48 -0.01 -0.04 0.00 0.11 0.00 0.00 66.00 65.59 1jny h PRO 316 Cb 1.19 -0.02 -0.01 0.00 0.11 0.00 0.00 31.00 32.27 1jny h PRO 316 CO 0.66 0.07 -0.17 -2.95 -0.21 0.00 0.00 178.00 175.40 1jny h ASN 317 N 0.11 0.00 -1.63 -2.05 -1.07 -1.94 -3.34 115.58 105.66 1jny h ASN 317 Ca 0.48 0.00 -0.43 0.00 0.07 0.00 0.00 56.30 56.42 1jny h ASN 317 Cb 1.73 0.00 -0.30 0.00 -2.07 0.00 0.00 38.32 37.68 1jny h ASN 317 CO -0.07 0.17 -0.83 -3.20 0.07 0.00 0.00 177.43 173.57 1jny n ASN 318 N -3.52 -1.37 -4.76 6.14 2.85 -0.24 -5.14 115.26 109.21 1jny n ASN 318 Ca -0.01 -2.70 -0.35 0.00 -0.11 0.00 0.00 54.58 51.40 1jny n ASN 318 Cb 0.32 0.30 0.02 0.00 1.24 0.00 0.00 39.78 41.66 1jny n ASN 318 CO 0.00 0.00 0.00 -2.16 -2.11 0.00 0.00 177.26 172.99 1jny s PRO 319 N 0.05 3.10 0.30 1.20 0.04 -1.13 -4.03 135.00 134.52 1jny s PRO 319 Ca 0.33 1.72 -0.30 0.00 0.04 0.00 0.00 61.00 62.79 1jny s PRO 319 Cb 0.09 -1.96 -0.12 0.00 0.04 0.00 0.00 34.50 32.55 1jny s PRO 319 CO -0.15 -1.08 1.44 -2.30 0.04 0.00 0.00 177.00 174.95 1jny n PRO 320 N -1.54 2.34 -2.28 0.56 -0.02 -1.26 -4.94 135.00 127.86 1jny n PRO 320 Ca 0.13 0.83 -0.41 0.00 -2.02 0.00 0.00 63.50 62.03 1jny n PRO 320 Cb 0.50 -2.51 -0.03 0.00 -0.02 0.00 0.00 33.50 31.44 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 -0.48 3.19 -0.16 3.45 2.01 -1.26 -4.91 115.64 117.47 1jny s THR 321 Ca 0.61 1.09 -0.00 0.00 0.31 0.00 0.00 61.69 63.70 1jny s THR 321 Cb -0.56 -3.69 -0.00 0.00 0.01 0.00 0.00 72.50 68.25 1jny s THR 321 CO 0.55 0.22 -0.13 -0.69 -0.69 0.00 0.00 174.62 173.87 1jny s VAL 322 N -0.60 2.80 -0.13 3.82 1.01 -1.26 -2.38 120.40 123.66 1jny s VAL 322 Ca 0.51 -0.72 -0.16 0.00 0.00 0.00 0.00 61.98 61.61 1jny s VAL 322 Cb -0.36 -2.20 -0.04 0.00 0.00 0.00 0.00 36.38 33.78 1jny s VAL 322 CO 0.43 0.50 0.39 0.00 0.00 0.00 0.00 175.10 176.42 1jny s ALA 323 N 0.90 3.54 -0.00 5.51 0.00 -0.35 -0.78 121.76 130.58 1jny s ALA 323 Ca -0.03 -0.31 0.05 0.00 0.00 0.00 0.00 51.96 51.67 1jny s ALA 323 Cb -0.15 -2.51 -0.24 0.00 0.00 0.00 0.00 23.12 20.21 1jny s ALA 323 CO -0.01 0.08 0.81 -0.44 0.00 0.00 0.00 175.76 176.21 1jny h ASP 324 N 6.52 0.16 -4.74 0.00 3.32 -0.91 -3.41 116.42 117.36 1jny h ASP 324 Ca -0.42 -0.26 -0.02 0.00 0.02 0.00 0.00 57.03 56.36 1jny h ASP 324 Cb 1.18 -0.05 -0.20 0.00 0.22 0.00 0.00 39.33 40.48 1jny h ASP 324 CO 0.74 1.22 0.30 -0.70 -1.72 0.00 0.00 179.24 179.08 1jny s GLU 325 N -2.62 0.93 0.03 3.56 2.12 -1.06 -4.22 118.70 117.43 1jny s GLU 325 Ca -0.07 0.20 -0.07 0.00 0.36 0.00 0.00 54.97 55.40 1jny s GLU 325 Cb 0.08 0.44 -0.00 0.00 0.26 0.00 0.00 34.13 34.90 1jny s GLU 325 CO 0.83 -0.29 0.12 -0.59 -0.54 0.00 0.00 175.26 174.79 1jny s PHE 326 N -1.26 0.13 -0.12 5.30 -0.12 -0.02 -0.05 117.98 121.83 1jny s PHE 326 Ca -0.08 -0.35 -0.04 0.00 -0.05 0.00 0.00 56.93 56.42 1jny s PHE 326 Cb -0.00 -0.09 -0.04 0.00 -0.63 0.00 0.00 43.02 42.26 1jny s PHE 326 CO 0.07 -0.35 0.03 0.99 -0.05 0.00 0.00 175.22 175.91 1jny s THR 327 N -2.17 4.53 0.05 -4.49 2.01 0.44 -0.50 115.64 115.51 1jny s THR 327 Ca -0.09 -0.15 0.01 0.00 0.31 0.00 0.00 61.69 61.78 1jny s THR 327 Cb -0.04 -2.96 -0.03 0.00 0.01 0.00 0.00 72.50 69.49 1jny s THR 327 CO -0.02 0.56 -0.06 0.00 -0.69 0.00 0.00 174.62 174.41 1jny s ALA 328 N -0.46 0.58 -0.34 7.40 0.00 0.11 -0.05 121.76 129.00 1jny s ALA 328 Ca 0.09 -0.91 -0.10 0.00 0.00 0.00 0.00 51.96 51.03 1jny s ALA 328 Cb -0.12 0.11 0.01 0.00 0.00 0.00 0.00 23.12 23.12 1jny s ALA 328 CO 0.02 -0.13 0.18 0.50 0.00 0.00 0.00 175.76 176.33 1jny s ARG 329 N -2.31 3.11 0.29 0.00 3.52 0.31 -0.74 118.95 123.13 1jny s ARG 329 Ca -0.04 -0.88 0.10 0.00 -0.13 0.00 0.00 55.73 54.78 1jny s ARG 329 Cb -0.05 -3.65 -0.05 0.00 -1.56 0.00 0.00 34.95 29.64 1jny s ARG 329 CO -0.02 -0.55 -0.15 0.96 -0.81 0.00 0.00 175.30 174.73 1jny s ILE 330 N 1.59 2.26 -0.08 4.11 -4.36 0.32 -1.20 121.20 123.83 1jny s ILE 330 Ca 0.03 -2.31 0.03 0.00 -0.26 0.00 0.00 60.65 58.15 1jny s ILE 330 Cb -0.18 -2.37 0.00 0.00 1.25 0.00 0.00 42.46 41.16 1jny s ILE 330 CO 0.07 -0.36 -0.19 -0.51 0.24 0.00 0.00 174.94 174.18 1jny s ILE 331 N -2.63 1.66 -0.67 8.37 1.10 -0.38 -0.75 121.20 127.89 1jny s ILE 331 Ca 0.30 -0.79 -0.20 0.00 -0.51 0.00 0.00 60.65 59.44 1jny s ILE 331 Cb -0.02 -1.45 0.09 0.00 0.15 0.00 0.00 42.46 41.23 1jny s ILE 331 CO 0.14 0.47 0.88 -0.69 -2.11 0.00 0.00 174.94 173.63 1jny s VAL 332 N 0.43 4.59 0.04 4.00 1.01 0.16 -1.80 120.40 128.83 1jny s VAL 332 Ca -0.16 -0.80 0.11 0.00 0.00 0.00 0.00 61.98 61.13 1jny s VAL 332 Cb -0.17 -4.62 -0.07 0.00 0.00 0.00 0.00 36.38 31.52 1jny s VAL 332 CO 0.06 -1.33 1.40 -0.37 0.00 0.00 0.00 175.10 174.87 1jny h VAL 333 N 5.91 1.33 -2.46 2.92 -1.51 -1.11 0.71 116.25 122.04 1jny h VAL 333 Ca -0.23 -2.75 -0.08 0.00 -1.23 0.00 0.00 66.70 62.42 1jny h VAL 333 Cb 1.07 2.57 -0.26 0.00 -2.13 0.00 0.00 31.29 32.54 1jny h VAL 333 CO 1.13 0.73 -0.30 0.86 -1.23 0.00 0.00 177.57 178.77 1jny s TRP 334 N -2.95 -0.82 -0.29 5.19 -0.00 -0.32 -4.71 118.94 115.05 1jny s TRP 334 Ca 0.02 1.58 -0.13 0.00 -0.00 0.00 0.00 56.10 57.57 1jny s TRP 334 Cb 0.09 0.37 0.13 0.00 -0.00 0.00 0.00 33.47 34.06 1jny s TRP 334 CO 0.78 -0.46 0.76 -1.58 -0.00 0.00 0.00 176.95 176.44 1jny s HIS 335 N 2.22 -1.07 0.34 5.86 2.46 -1.26 -4.26 115.29 119.57 1jny s HIS 335 Ca -0.05 1.95 0.05 0.00 0.47 0.00 0.00 55.06 57.48 1jny s HIS 335 Cb -0.10 0.64 0.61 0.00 -0.13 0.00 0.00 32.58 33.60 1jny s HIS 335 CO -0.14 -0.53 1.86 -1.00 -2.47 0.00 0.00 174.74 172.46 1jny h PRO 336 N 7.44 0.46 0.00 2.88 0.13 -2.00 -3.39 132.00 137.53 1jny h PRO 336 Ca -0.22 -0.11 0.00 0.00 -0.87 0.00 0.00 66.00 64.80 1jny h PRO 336 Cb 1.15 -0.06 0.00 0.00 0.13 0.00 0.00 31.00 32.22 1jny h PRO 336 CO 0.12 0.54 0.00 0.25 -0.23 0.00 0.00 178.00 178.68 1jny n THR 337 N -4.25 0.00 -3.71 1.56 -2.24 -1.26 -5.06 114.28 99.32 1jny n THR 337 Ca 0.01 0.00 -0.14 0.00 -2.27 0.00 0.00 64.05 61.65 1jny n THR 337 Cb 0.28 0.00 -0.08 0.00 -2.10 0.00 0.00 70.33 68.42 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 -1.04 -0.12 6.98 0.00 -1.26 -4.55 121.76 119.77 1jny s ALA 338 Ca 0.00 0.73 -0.01 0.00 0.00 0.00 0.00 51.96 52.68 1jny s ALA 338 Cb 0.00 -0.13 -0.02 0.00 0.00 0.00 0.00 23.12 22.97 1jny s ALA 338 CO 0.00 -0.27 -0.08 -0.48 0.00 0.00 0.00 175.76 174.93 1jny s LEU 339 N -0.93 3.01 0.46 0.00 0.05 0.30 -4.90 118.68 116.68 1jny s LEU 339 Ca -0.10 -0.18 0.03 0.00 0.05 0.00 0.00 54.13 53.93 1jny s LEU 339 Cb -0.04 -1.69 -0.02 0.00 -2.05 0.00 0.00 46.19 42.40 1jny s LEU 339 CO 0.04 0.22 0.06 0.00 -0.55 0.00 0.00 176.35 176.13 1jny s ALA 340 N 0.02 3.53 0.30 1.48 0.00 -1.26 -0.33 121.76 125.51 1jny s ALA 340 Ca -0.02 -0.85 -0.27 0.00 0.00 0.00 0.00 51.96 50.81 1jny s ALA 340 Cb -0.14 0.36 -0.14 0.00 0.00 0.00 0.00 23.12 23.20 1jny s ALA 340 CO 0.03 -0.17 0.97 0.09 0.00 0.00 0.00 175.76 176.69 1jny n ASN 341 N -1.26 1.11 0.00 0.00 4.13 -1.26 -1.84 115.26 116.14 1jny n ASN 341 Ca -0.13 1.15 0.00 0.00 1.68 0.00 0.00 54.58 57.29 1jny n ASN 341 Cb 0.66 -1.28 0.00 0.00 -1.54 0.00 0.00 39.78 37.62 1jny n ASN 341 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1jny n GLY 342 N 1.26 2.61 3.69 7.41 0.00 0.82 -4.98 105.19 116.01 1jny n GLY 342 Ca 0.10 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.68 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 -2.00 2.52 -3.55 1.61 9.36 -0.77 -4.56 117.16 119.76 1jny n TYR 343 Ca 0.00 0.16 -0.27 0.00 3.32 0.00 0.00 57.90 61.11 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 3.60 1.35 -1.80 2.97 -1.04 -1.26 0.11 114.28 118.21 1jny n THR 344 Ca 0.16 -4.76 -0.29 0.00 -2.04 0.00 0.00 64.05 57.12 1jny n THR 344 Cb 0.32 -2.07 0.12 0.00 -1.82 0.00 0.00 70.33 66.88 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 -1.70 1.52 -0.14 -2.82 0.04 -1.21 -4.63 135.00 126.06 1jny s PRO 345 Ca 0.33 0.08 -0.19 0.00 0.04 0.00 0.00 61.00 61.26 1jny s PRO 345 Cb 0.07 -1.90 -0.04 0.00 0.04 0.00 0.00 34.50 32.67 1jny s PRO 345 CO -0.10 -1.90 0.52 0.08 0.04 0.00 0.00 177.00 175.65 1jny s VAL 346 N -3.54 5.14 -0.12 -0.36 1.01 -1.07 -1.17 120.40 120.30 1jny s VAL 346 Ca 0.64 1.03 -0.05 0.00 0.00 0.00 0.00 61.98 63.60 1jny s VAL 346 Cb -0.11 -3.86 -0.04 0.00 0.00 0.00 0.00 36.38 32.38 1jny s VAL 346 CO 0.51 0.27 0.07 -0.76 0.00 0.00 0.00 175.10 175.18 1jny s LEU 347 N 0.98 3.96 -0.29 3.92 1.02 0.26 -0.34 118.68 128.19 1jny s LEU 347 Ca 0.27 0.27 -0.04 0.00 0.02 0.00 0.00 54.13 54.65 1jny s LEU 347 Cb -0.16 -1.95 0.03 0.00 0.02 0.00 0.00 46.19 44.13 1jny s LEU 347 CO 0.11 0.36 0.03 -1.00 0.02 0.00 0.00 176.35 175.87 1jny s HIS 348 N -0.73 3.18 -0.03 0.29 3.76 0.50 -1.79 115.29 120.46 1jny s HIS 348 Ca 0.12 -1.40 0.04 0.00 -0.15 0.00 0.00 55.06 53.67 1jny s HIS 348 Cb -0.12 -2.18 -0.01 0.00 1.11 0.00 0.00 32.58 31.39 1jny s HIS 348 CO 0.03 -0.70 -0.16 0.08 -0.85 0.00 0.00 174.74 173.14 1jny s VAL 349 N 1.38 1.34 0.00 -0.90 1.01 -0.83 -1.50 120.40 120.90 1jny s VAL 349 Ca -0.01 -0.69 0.00 0.00 0.00 0.00 0.00 61.98 61.29 1jny s VAL 349 Cb -0.18 -1.14 0.00 0.00 0.00 0.00 0.00 36.38 35.06 1jny s VAL 349 CO 0.00 0.39 0.00 0.00 0.00 0.00 0.00 175.10 175.49 1jny n HIS 350 N 2.98 0.00 1.31 5.22 1.44 -1.25 -0.10 115.22 124.83 1jny n HIS 350 Ca -0.17 0.00 0.13 0.00 -2.01 0.00 0.00 57.72 55.67 1jny n HIS 350 Cb 0.53 0.00 0.37 0.00 0.12 0.00 0.00 29.99 31.01 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 0.00 -3.06 0.61 -2.24 -1.26 -4.95 114.28 103.38 1jny n THR 351 Ca 0.00 -0.33 -0.31 0.00 -2.27 0.00 0.00 64.05 61.14 1jny n THR 351 Cb 0.00 0.84 -0.05 0.00 -2.10 0.00 0.00 70.33 69.03 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 -2.04 3.38 -0.30 6.98 0.00 0.86 -3.87 121.76 126.78 1jny s ALA 352 Ca 0.34 -0.13 -0.03 0.00 0.00 0.00 0.00 51.96 52.13 1jny s ALA 352 Cb 0.21 -2.68 0.11 0.00 0.00 0.00 0.00 23.12 20.76 1jny s ALA 352 CO 0.34 0.20 0.16 0.45 0.00 0.00 0.00 175.76 176.91 1jny s SER 353 N -2.71 3.27 -0.01 0.00 0.15 -1.26 -1.96 113.70 111.19 1jny s SER 353 Ca 0.52 -1.35 0.01 0.00 0.70 0.00 0.00 55.95 55.82 1jny s SER 353 Cb -0.10 -0.26 0.00 0.00 -1.71 0.00 0.00 66.02 63.95 1jny s SER 353 CO 0.24 -0.42 -0.03 -0.69 1.20 0.00 0.00 173.24 173.55 1jny s VAL 354 N 1.99 0.26 0.25 4.45 1.01 -0.74 -4.93 120.40 122.70 1jny s VAL 354 Ca 0.10 -0.11 -0.30 0.00 0.00 0.00 0.00 61.98 61.68 1jny s VAL 354 Cb -0.17 -0.25 -0.09 0.00 0.00 0.00 0.00 36.38 35.87 1jny s VAL 354 CO -0.32 0.09 1.22 0.00 0.00 0.00 0.00 175.10 176.09 1jny s ALA 355 N 0.13 3.46 -0.05 5.51 0.00 -1.26 -0.57 121.76 128.97 1jny s ALA 355 Ca -0.01 1.04 0.01 0.00 0.00 0.00 0.00 51.96 53.00 1jny s ALA 355 Cb -0.04 -3.42 0.02 0.00 0.00 0.00 0.00 23.12 19.69 1jny s ALA 355 CO -0.00 -0.41 -0.06 0.00 0.00 0.00 0.00 175.76 175.29 1jny s ARG 357 N 0.95 4.49 -0.45 0.00 3.52 -0.50 -3.32 118.95 123.64 1jny s ARG 357 Ca -0.10 1.05 -0.28 0.00 -0.13 0.00 0.00 55.73 56.27 1jny s ARG 357 Cb -0.14 -3.36 -0.01 0.00 -1.56 0.00 0.00 34.95 29.88 1jny s ARG 357 CO 0.00 0.30 1.69 0.08 -0.81 0.00 0.00 175.30 176.57 1jny s VAL 358 N -0.12 3.57 -0.29 7.11 1.01 0.12 -0.58 120.40 131.21 1jny s VAL 358 Ca 0.38 0.52 0.23 0.00 0.00 0.00 0.00 61.98 63.10 1jny s VAL 358 Cb -0.20 -3.93 0.10 0.00 0.00 0.00 0.00 36.38 32.35 1jny s VAL 358 CO 0.23 -0.70 1.21 0.77 0.00 0.00 0.00 175.10 176.60 1jny h SER 359 N 12.77 0.00 -3.35 3.32 4.64 -1.28 0.23 113.55 129.88 1jny h SER 359 Ca -0.30 0.00 0.05 0.00 -0.47 0.00 0.00 61.79 61.07 1jny h SER 359 Cb 1.15 0.00 -0.25 0.00 -0.31 0.00 0.00 62.40 62.98 1jny h SER 359 CO 1.11 0.01 0.41 -0.70 -0.87 0.00 0.00 176.83 176.79 1jny s GLU 360 N -3.32 0.56 -0.64 4.77 2.12 -1.14 -4.90 118.70 116.15 1jny s GLU 360 Ca 0.02 0.64 -0.09 0.00 0.36 0.00 0.00 54.97 55.89 1jny s GLU 360 Cb 0.08 0.27 0.17 0.00 0.26 0.00 0.00 34.13 34.91 1jny s GLU 360 CO 0.76 -0.07 0.52 -0.51 -0.54 0.00 0.00 175.26 175.42 1jny s LEU 361 N 0.20 5.94 0.03 2.70 1.02 -1.26 -0.88 118.68 126.43 1jny s LEU 361 Ca 0.03 -2.46 -0.23 0.00 0.02 0.00 0.00 54.13 51.49 1jny s LEU 361 Cb -0.05 -2.04 -0.16 0.00 0.02 0.00 0.00 46.19 43.96 1jny s LEU 361 CO -0.05 -0.56 1.39 0.58 0.02 0.00 0.00 176.35 177.73 1jny h VAL 362 N 5.40 1.30 -1.50 -1.59 2.07 -1.66 -3.35 116.25 116.92 1jny h VAL 362 Ca -0.05 -0.98 0.10 0.00 0.82 0.00 0.00 66.70 66.59 1jny h VAL 362 Cb 1.03 1.80 -0.23 0.00 -1.52 0.00 0.00 31.29 32.36 1jny h VAL 362 CO 0.79 0.27 0.60 -0.94 0.02 0.00 0.00 177.57 178.31 1jny s SER 363 N -5.75 -0.33 0.02 0.57 1.04 -1.08 -0.98 113.70 107.19 1jny s SER 363 Ca -0.15 0.36 -0.09 0.00 0.48 0.00 0.00 55.95 56.55 1jny s SER 363 Cb 0.04 0.27 -0.05 0.00 0.10 0.00 0.00 66.02 66.38 1jny s SER 363 CO 0.70 -0.31 0.33 -0.75 0.98 0.00 0.00 173.24 174.20 1jny s LYS 364 N -1.11 3.70 0.24 4.02 2.20 0.03 -0.50 119.74 128.32 1jny s LYS 364 Ca -0.00 0.11 0.08 0.00 -0.36 0.00 0.00 55.97 55.80 1jny s LYS 364 Cb -0.01 -3.08 -0.04 0.00 -1.51 0.00 0.00 37.83 33.19 1jny s LYS 364 CO 0.00 0.63 0.05 -0.51 -0.36 0.00 0.00 175.35 175.17 1jny s LEU 365 N -1.63 3.39 -0.24 5.43 1.02 0.37 -0.28 118.68 126.74 1jny s LEU 365 Ca 0.28 -0.49 -0.29 0.00 0.02 0.00 0.00 54.13 53.65 1jny s LEU 365 Cb -0.14 -1.93 0.01 0.00 0.02 0.00 0.00 46.19 44.14 1jny s LEU 365 CO 0.15 0.01 1.09 -0.62 0.02 0.00 0.00 176.35 177.00 1jny s ASP 366 N -3.58 7.03 0.33 2.29 -1.08 0.68 -4.51 116.67 117.83 1jny s ASP 366 Ca 0.31 1.36 0.24 0.00 -0.52 0.00 0.00 52.55 53.94 1jny s ASP 366 Cb -0.07 -2.54 1.21 0.00 -1.46 0.00 0.00 42.92 40.06 1jny s ASP 366 CO 0.21 -0.74 1.72 1.55 0.52 0.00 0.00 175.17 178.43 1jny h PRO 367 N 7.75 0.00 0.01 4.34 0.13 -1.92 0.99 132.00 143.30 1jny h PRO 367 Ca -0.21 0.00 -0.36 0.00 -0.87 0.00 0.00 66.00 64.56 1jny h PRO 367 Cb 1.07 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 32.14 1jny h PRO 367 CO 0.99 0.00 -2.28 0.54 -0.23 0.00 0.00 178.00 177.02 1jny n ARG 368 N -2.32 0.68 -0.00 0.86 1.74 -1.26 -2.22 116.66 114.13 1jny n ARG 368 Ca -0.01 0.12 0.01 0.00 -0.77 0.00 0.00 57.85 57.20 1jny n ARG 368 Cb 0.08 -1.58 -0.02 0.00 -1.02 0.00 0.00 32.46 29.92 1jny n ARG 368 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 1jny n THR 369 N -3.04 0.00 -0.47 0.55 -2.24 -1.09 0.42 114.28 108.41 1jny n THR 369 Ca -0.35 -0.17 0.00 0.00 -2.27 0.00 0.00 64.05 61.26 1jny n THR 369 Cb 1.08 0.60 0.00 0.00 -2.10 0.00 0.00 70.33 69.90 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 1.97 1.31 3.81 3.38 0.00 0.32 -4.95 105.19 111.03 1jny n GLY 370 Ca -0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 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 -0.28 3.85 0.17 1.61 -2.07 -1.26 -4.61 119.66 117.08 1jny s GLN 371 Ca 0.00 1.18 -0.32 0.00 -1.82 0.00 0.00 55.36 54.40 1jny s GLN 371 Cb 0.00 -2.11 -0.12 0.00 -1.09 0.00 0.00 33.01 29.69 1jny s GLN 371 CO 0.00 -0.36 1.73 -1.91 -1.32 0.00 0.00 175.29 173.42 1jny n GLU 372 N -1.21 2.65 -0.03 9.60 2.13 -1.26 -0.23 120.64 132.29 1jny n GLU 372 Ca 0.08 0.96 0.05 0.00 0.66 0.00 0.00 57.16 58.91 1jny n GLU 372 Cb 0.53 -2.80 -0.16 0.00 0.27 0.00 0.00 31.44 29.28 1jny n GLU 372 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1jny n ALA 373 N 4.31 2.43 -3.58 4.31 0.00 0.62 -4.76 120.51 123.85 1jny n ALA 373 Ca 0.17 -0.68 -0.02 0.00 0.00 0.00 0.00 53.44 52.91 1jny n ALA 373 Cb 0.34 -0.55 -0.05 0.00 0.00 0.00 0.00 19.45 19.18 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 -3.16 0.44 0.44 0.00 2.12 -1.05 -4.96 118.70 112.52 1jny s GLU 374 Ca -0.08 0.91 -0.22 0.00 0.36 0.00 0.00 54.97 55.94 1jny s GLU 374 Cb 0.11 0.32 -0.09 0.00 0.26 0.00 0.00 34.13 34.73 1jny s GLU 374 CO 0.83 -0.12 1.01 0.21 -0.54 0.00 0.00 175.26 176.65 1jny s LYS 375 N 1.96 4.07 -0.57 4.30 2.20 -1.26 -0.79 119.74 129.65 1jny s LYS 375 Ca -0.07 1.32 -0.12 0.00 -0.36 0.00 0.00 55.97 56.74 1jny s LYS 375 Cb -0.06 -2.28 0.02 0.00 -1.51 0.00 0.00 37.83 34.00 1jny s LYS 375 CO -0.17 -0.19 0.35 0.09 -0.36 0.00 0.00 175.35 175.07 1jny n ASN 376 N -0.54 -2.33 -4.77 1.43 4.13 -0.15 -4.86 115.26 108.17 1jny n ASN 376 Ca 0.07 -0.64 -0.39 0.00 1.68 0.00 0.00 54.58 55.30 1jny n ASN 376 Cb 0.52 -0.85 -0.00 0.00 -1.54 0.00 0.00 39.78 37.91 1jny n ASN 376 CO 0.00 0.00 0.00 -2.16 0.28 0.00 0.00 177.26 175.38 1jny s PRO 377 N -5.28 3.91 0.49 3.52 0.04 -1.26 -4.91 135.00 131.51 1jny s PRO 377 Ca 0.16 2.11 0.23 0.00 0.04 0.00 0.00 61.00 63.54 1jny s PRO 377 Cb -0.09 -2.70 1.27 0.00 0.04 0.00 0.00 34.50 33.02 1jny s PRO 377 CO 0.51 -0.52 2.02 1.96 0.04 0.00 0.00 177.00 181.00 1jny h GLN 378 N 2.56 0.00 -2.46 4.56 7.50 -1.93 -3.45 115.11 121.90 1jny h GLN 378 Ca -0.50 0.00 0.16 0.00 0.50 0.00 0.00 58.65 58.81 1jny h GLN 378 Cb 1.25 0.00 -0.07 0.00 0.05 0.00 0.00 27.48 28.71 1jny h GLN 378 CO 0.62 0.16 0.47 -0.59 -1.50 0.00 0.00 178.83 177.99 1jny s PHE 379 N -4.23 -0.09 0.08 2.96 -0.12 -1.26 -4.59 117.98 110.72 1jny s PHE 379 Ca -0.03 -0.26 0.09 0.00 -0.05 0.00 0.00 56.93 56.69 1jny s PHE 379 Cb 0.14 0.67 -0.03 0.00 -0.63 0.00 0.00 43.02 43.16 1jny s PHE 379 CO 0.62 -0.92 -0.25 -0.51 -0.05 0.00 0.00 175.22 174.11 1jny s LEU 380 N -3.01 2.23 0.37 -1.99 1.43 0.56 -4.93 118.68 113.34 1jny s LEU 380 Ca 0.14 -0.64 0.08 0.00 -1.03 0.00 0.00 54.13 52.68 1jny s LEU 380 Cb -0.02 -1.18 -0.06 0.00 0.03 0.00 0.00 46.19 44.96 1jny s LEU 380 CO 0.04 0.20 0.06 -0.54 0.23 0.00 0.00 176.35 176.34 1jny s LYS 381 N -1.55 2.10 0.20 1.70 -0.14 -1.26 -0.54 119.74 120.25 1jny s LYS 381 Ca 0.11 -1.85 -0.32 0.00 -1.36 0.00 0.00 55.97 52.56 1jny s LYS 381 Cb -0.10 -1.89 -0.12 0.00 -1.68 0.00 0.00 37.83 34.05 1jny s LYS 381 CO 0.03 0.03 1.70 -1.14 -0.76 0.00 0.00 175.35 175.21 1jny s GLN 382 N -3.77 4.14 0.00 1.68 0.74 -1.26 -1.74 119.66 119.44 1jny s GLN 382 Ca 0.37 2.57 0.00 0.00 0.05 0.00 0.00 55.36 58.35 1jny s GLN 382 Cb 0.03 -3.08 0.00 0.00 1.10 0.00 0.00 33.01 31.06 1jny s GLN 382 CO 0.20 -0.73 0.00 0.41 -0.55 0.00 0.00 175.29 174.62 1jny n GLY 383 N 3.90 0.12 3.78 2.59 0.00 0.25 -5.02 105.19 110.80 1jny n GLY 383 Ca 0.15 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.80 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 -2.06 6.98 -0.10 1.61 1.01 -0.71 -4.76 116.67 118.63 1jny s ASP 384 Ca 0.00 2.03 0.01 0.00 0.71 0.00 0.00 52.55 55.30 1jny s ASP 384 Cb 0.00 -2.59 -0.02 0.00 1.01 0.00 0.00 42.92 41.32 1jny s ASP 384 CO 0.00 -0.33 -0.12 0.68 0.21 0.00 0.00 175.17 175.60 1jny s VAL 385 N -1.57 3.15 0.22 -1.27 -7.23 -1.26 -0.67 120.40 111.78 1jny s VAL 385 Ca 0.54 -0.65 -0.19 0.00 -1.81 0.00 0.00 61.98 59.87 1jny s VAL 385 Cb -0.23 -2.30 0.03 0.00 0.56 0.00 0.00 36.38 34.44 1jny s VAL 385 CO 0.29 0.55 0.58 0.00 -0.31 0.00 0.00 175.10 176.21 1jny s ALA 386 N -0.09 -1.01 -0.22 1.32 0.00 0.07 -0.48 121.76 121.36 1jny s ALA 386 Ca -0.01 -0.23 -0.09 0.00 0.00 0.00 0.00 51.96 51.62 1jny s ALA 386 Cb -0.14 0.88 -0.04 0.00 0.00 0.00 0.00 23.12 23.82 1jny s ALA 386 CO 0.04 -0.87 0.11 0.42 0.00 0.00 0.00 175.76 175.46 1jny s ILE 387 N -3.89 4.99 0.04 0.00 1.01 0.35 -0.53 121.20 123.18 1jny s ILE 387 Ca 0.10 0.05 0.01 0.00 0.00 0.00 0.00 60.65 60.81 1jny s ILE 387 Cb -0.02 -3.30 -0.03 0.00 0.01 0.00 0.00 42.46 39.12 1jny s ILE 387 CO -0.00 0.39 -0.05 -0.69 0.00 0.00 0.00 174.94 174.59 1jny s VAL 388 N 0.84 0.37 -0.04 2.92 1.01 0.08 -1.62 120.40 123.95 1jny s VAL 388 Ca 0.06 -1.25 0.02 0.00 0.00 0.00 0.00 61.98 60.81 1jny s VAL 388 Cb -0.13 -0.77 -0.03 0.00 0.00 0.00 0.00 36.38 35.45 1jny s VAL 388 CO 0.02 -0.58 -0.09 -0.54 0.00 0.00 0.00 175.10 173.91 1jny s LYS 389 N -2.19 2.62 0.04 2.72 1.02 -0.06 0.04 119.74 123.93 1jny s LYS 389 Ca -0.07 -0.64 0.07 0.00 0.02 0.00 0.00 55.97 55.35 1jny s LYS 389 Cb -0.05 -2.50 -0.02 0.00 -0.52 0.00 0.00 37.83 34.73 1jny s LYS 389 CO -0.02 0.64 -0.19 -0.06 -0.92 0.00 0.00 175.35 174.79 1jny s PHE 390 N -0.84 1.69 -0.26 3.18 0.08 0.34 -0.77 117.98 121.41 1jny s PHE 390 Ca 0.13 -0.36 0.01 0.00 0.12 0.00 0.00 56.93 56.83 1jny s PHE 390 Cb -0.11 -1.01 0.07 0.00 -0.57 0.00 0.00 43.02 41.40 1jny s PHE 390 CO 0.03 0.07 -0.03 0.15 -0.10 0.00 0.00 175.22 175.34 1jny s LYS 391 N -1.12 1.55 0.25 0.44 1.02 0.25 -0.84 119.74 121.30 1jny s LYS 391 Ca 0.06 -1.14 -0.31 0.00 0.02 0.00 0.00 55.97 54.60 1jny s LYS 391 Cb -0.08 -2.63 -0.13 0.00 -0.52 0.00 0.00 37.83 34.46 1jny s LYS 391 CO 0.01 -0.68 1.38 -2.30 -0.92 0.00 0.00 175.35 172.84 1jny n PRO 392 N 4.62 2.01 0.13 -1.68 -0.02 -1.26 -1.41 135.00 137.39 1jny n PRO 392 Ca -0.09 0.72 -0.01 0.00 -2.02 0.00 0.00 63.50 62.09 1jny n PRO 392 Cb 0.43 -2.35 0.12 0.00 -0.02 0.00 0.00 33.50 31.68 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 2.94 1.37 -2.87 4.25 1.08 -1.55 -3.45 117.51 119.29 1jny h ILE 393 Ca -0.45 -2.35 -0.45 0.00 -0.39 0.00 0.00 64.86 61.22 1jny h ILE 393 Cb 1.28 2.30 -0.14 0.00 -3.07 0.00 0.00 36.82 37.19 1jny h ILE 393 CO 0.73 0.65 -0.70 -0.54 -0.69 0.00 0.00 178.15 177.60 1jny s LYS 394 N -3.34 1.40 0.15 2.37 3.01 -1.26 -5.08 119.74 116.99 1jny s LYS 394 Ca -0.00 -1.66 -0.34 0.00 -1.01 0.00 0.00 55.97 52.96 1jny s LYS 394 Cb 0.11 -1.05 -0.14 0.00 -1.01 0.00 0.00 37.83 35.74 1jny s LYS 394 CO 0.76 0.10 1.56 -2.30 0.51 0.00 0.00 175.35 175.98 1jny n PRO 395 N -0.45 2.07 -3.98 -1.68 -0.02 -1.26 -4.97 135.00 124.70 1jny n PRO 395 Ca -0.07 0.75 -0.17 0.00 -2.02 0.00 0.00 63.50 61.98 1jny n PRO 395 Cb 0.62 -2.50 -0.16 0.00 -0.02 0.00 0.00 33.50 31.43 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 0.87 1.22 -0.25 2.45 2.96 -1.26 -4.98 118.68 119.69 1jny s LEU 396 Ca 0.79 -0.05 -0.20 0.00 -0.22 0.00 0.00 54.13 54.45 1jny s LEU 396 Cb -0.70 -0.26 -0.02 0.00 0.50 0.00 0.00 46.19 45.71 1jny s LEU 396 CO 0.39 -0.09 0.64 0.00 -1.32 0.00 0.00 176.35 175.97 1jny s VAL 398 N 2.52 0.16 0.14 0.00 -7.23 -1.00 -4.97 120.40 110.02 1jny s VAL 398 Ca 0.26 -1.34 0.02 0.00 -1.81 0.00 0.00 61.98 59.12 1jny s VAL 398 Cb -0.15 -1.17 -0.04 0.00 0.56 0.00 0.00 36.38 35.57 1jny s VAL 398 CO 0.08 -0.74 -0.05 -1.61 -0.31 0.00 0.00 175.10 172.48 1jny s GLU 399 N -3.26 1.01 0.34 4.82 0.41 -0.79 -4.41 118.70 116.82 1jny s GLU 399 Ca 0.01 -1.45 -0.28 0.00 -0.41 0.00 0.00 54.97 52.84 1jny s GLU 399 Cb 0.03 -0.34 -0.10 0.00 -1.78 0.00 0.00 34.13 31.94 1jny s GLU 399 CO -0.08 -0.04 1.31 0.15 -0.49 0.00 0.00 175.26 176.12 1jny s LYS 400 N -3.84 4.29 0.18 1.61 3.01 -1.26 -3.83 119.74 119.89 1jny s LYS 400 Ca 0.18 2.22 -0.14 0.00 -1.01 0.00 0.00 55.97 57.23 1jny s LYS 400 Cb 0.05 -3.02 0.14 0.00 -1.01 0.00 0.00 37.83 33.99 1jny s LYS 400 CO 0.00 -0.25 1.76 -0.92 0.51 0.00 0.00 175.35 176.46 1jny h TYR 401 N 3.26 0.35 0.00 3.18 3.20 -0.95 -1.11 116.97 124.90 1jny h TYR 401 Ca -0.49 0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.40 1jny h TYR 401 Cb 1.23 -0.09 0.00 0.00 1.54 0.00 0.00 36.73 39.41 1jny h TYR 401 CO 0.55 0.15 0.00 -2.95 -1.64 0.00 0.00 178.16 174.27 1jny h ASN 402 N 0.39 0.00 0.05 -2.11 7.08 -1.81 -1.56 115.58 117.61 1jny h ASN 402 Ca 0.22 0.00 -0.36 0.00 -3.08 0.00 0.00 56.30 53.08 1jny h ASN 402 Cb 0.18 0.00 -0.04 0.00 -2.08 0.00 0.00 38.32 36.38 1jny h ASN 402 CO -0.19 0.00 -2.02 -0.62 -2.08 0.00 0.00 177.43 172.51 1jny n GLU 403 N -2.99 0.66 -3.35 4.14 1.02 -0.80 -4.79 120.64 114.53 1jny n GLU 403 Ca -0.02 0.31 -0.25 0.00 -0.02 0.00 0.00 57.16 57.19 1jny n GLU 403 Cb 0.15 -1.64 -0.09 0.00 -0.02 0.00 0.00 31.44 29.84 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 -2.49 0.83 0.27 -0.32 0.08 -0.49 -5.03 117.98 110.83 1jny s PHE 404 Ca -0.30 -2.11 -0.06 0.00 0.12 0.00 0.00 56.93 54.58 1jny s PHE 404 Cb 0.08 -0.81 0.51 0.00 -0.57 0.00 0.00 43.02 42.23 1jny s PHE 404 CO 0.64 -0.86 1.59 -1.35 -0.10 0.00 0.00 175.22 175.13 1jny h PRO 405 N 5.74 0.03 0.00 0.24 0.11 -1.48 0.11 132.00 136.74 1jny h PRO 405 Ca 0.23 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.34 1jny h PRO 405 Cb 0.93 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.04 1jny h PRO 405 CO 0.33 0.02 0.00 -1.35 -0.21 0.00 0.00 178.00 176.79 1jny h PRO 406 N 0.03 0.00 -0.35 1.05 0.11 -1.90 -0.98 132.00 129.97 1jny h PRO 406 Ca 0.48 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.59 1jny h PRO 406 Cb 0.84 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.95 1jny h PRO 406 CO -0.87 0.00 0.00 1.28 -0.21 0.00 0.00 178.00 178.20 1jny n LEU 407 N -2.72 2.92 0.00 2.35 4.32 0.34 -3.86 117.00 120.35 1jny n LEU 407 Ca -0.01 -1.95 0.00 0.00 -0.02 0.00 0.00 56.01 54.03 1jny n LEU 407 Cb 0.14 -0.23 0.00 0.00 -1.62 0.00 0.00 43.42 41.71 1jny n LEU 407 CO 0.19 0.72 0.37 0.61 -1.22 0.00 0.00 177.39 178.06 1jny n GLY 408 N 0.56 0.74 3.24 -0.72 0.00 -0.38 -1.88 105.19 106.75 1jny n GLY 408 Ca 0.12 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.82 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 -0.50 2.81 0.23 1.61 3.52 -1.15 -0.24 118.95 125.22 1jny s ARG 409 Ca 0.00 -0.89 0.00 0.00 -0.13 0.00 0.00 55.73 54.71 1jny s ARG 409 Cb 0.00 -2.23 -0.04 0.00 -1.56 0.00 0.00 34.95 31.12 1jny s ARG 409 CO 0.00 0.28 0.15 -0.59 -0.81 0.00 0.00 175.30 174.32 1jny s PHE 410 N 0.10 1.30 -0.03 5.12 -0.71 -0.27 -4.34 117.98 119.15 1jny s PHE 410 Ca -0.12 -1.39 0.02 0.00 -1.04 0.00 0.00 56.93 54.40 1jny s PHE 410 Cb -0.16 -0.63 0.01 0.00 -1.21 0.00 0.00 43.02 41.02 1jny s PHE 410 CO 0.06 -0.63 -0.08 0.00 -1.34 0.00 0.00 175.22 173.23 1jny s ALA 411 N -4.00 0.83 -0.19 1.99 0.00 -0.56 -1.14 121.76 118.67 1jny s ALA 411 Ca 0.39 -0.30 -0.19 0.00 0.00 0.00 0.00 51.96 51.86 1jny s ALA 411 Cb 0.06 -0.32 -0.03 0.00 0.00 0.00 0.00 23.12 22.83 1jny s ALA 411 CO 0.14 0.12 0.55 -1.64 0.00 0.00 0.00 175.76 174.94 1jny s MET 412 N 0.26 4.20 0.03 0.00 -1.94 0.51 -0.37 119.30 121.99 1jny s MET 412 Ca -0.04 0.48 0.08 0.00 -1.71 0.00 0.00 55.69 54.49 1jny s MET 412 Cb -0.09 -3.56 -0.03 0.00 2.01 0.00 0.00 34.83 33.16 1jny s MET 412 CO 0.00 -0.16 -0.21 1.03 -0.01 0.00 0.00 175.02 175.67 1jny s ARG 413 N 1.67 2.03 -0.27 2.03 0.52 0.53 0.14 118.95 125.60 1jny s ARG 413 Ca 0.26 -0.99 -0.25 0.00 -0.52 0.00 0.00 55.73 54.23 1jny s ARG 413 Cb -0.16 -2.13 0.09 0.00 0.52 0.00 0.00 34.95 33.28 1jny s ARG 413 CO 0.10 0.54 0.83 0.34 0.02 0.00 0.00 175.30 177.13 1jny s ASP 414 N -1.22 -0.64 -1.41 0.23 -1.08 0.38 -2.59 116.67 110.34 1jny s ASP 414 Ca 0.13 1.22 -0.10 0.00 -0.52 0.00 0.00 52.55 53.28 1jny s ASP 414 Cb -0.10 1.23 0.07 0.00 -1.46 0.00 0.00 42.92 42.66 1jny s ASP 414 CO 0.03 -0.22 0.64 0.23 0.52 0.00 0.00 175.17 176.37 1jny n MET 415 N 2.47 -4.19 -0.96 4.34 2.81 -1.26 -1.34 117.12 119.00 1jny n MET 415 Ca -0.13 0.58 0.00 0.00 -1.81 0.00 0.00 57.70 56.34 1jny n MET 415 Cb 0.55 -5.37 0.00 0.00 -0.71 0.00 0.00 33.22 27.70 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 -1.37 0.54 3.39 3.03 0.00 -1.26 -5.03 105.19 104.49 1jny n GLY 416 Ca -0.02 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.89 1jny n GLY 416 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1jny s LYS 417 N -0.04 1.41 -0.32 1.61 -2.85 -0.45 -5.13 119.74 113.97 1jny s LYS 417 Ca 0.00 -1.48 -0.25 0.00 -1.00 0.00 0.00 55.97 53.25 1jny s LYS 417 Cb 0.00 0.37 0.01 0.00 -2.06 0.00 0.00 37.83 36.15 1jny s LYS 417 CO 0.00 -0.53 0.86 0.99 0.10 0.00 0.00 175.35 176.77 1jny s THR 418 N -4.02 4.70 0.03 3.79 2.01 -1.26 -0.47 115.64 120.43 1jny s THR 418 Ca 0.31 1.26 -0.12 0.00 0.31 0.00 0.00 61.69 63.45 1jny s THR 418 Cb 0.03 -4.23 -0.33 0.00 0.01 0.00 0.00 72.50 67.98 1jny s THR 418 CO 0.12 -0.35 1.00 0.58 -0.69 0.00 0.00 174.62 175.27 1jny h VAL 419 N 5.67 1.30 -2.70 3.82 2.07 -0.49 -3.34 116.25 122.59 1jny h VAL 419 Ca -0.23 -2.79 0.10 0.00 0.82 0.00 0.00 66.70 64.60 1jny h VAL 419 Cb 1.09 2.98 -0.08 0.00 -1.52 0.00 0.00 31.29 33.76 1jny h VAL 419 CO 0.93 0.84 0.34 -0.83 0.02 0.00 0.00 177.57 178.87 1jny s GLY 420 N -4.68 -0.25 -0.01 2.17 0.00 -1.14 -0.54 107.32 102.88 1jny s GLY 420 Ca -0.08 0.08 0.06 0.00 0.00 0.00 0.00 44.72 44.77 1jny s GLY 420 CO 0.92 0.02 -0.19 0.14 0.00 0.00 0.00 173.10 173.99 1jny s VAL 421 N -3.60 1.48 0.05 1.40 1.01 -0.75 -0.36 120.40 119.63 1jny s VAL 421 Ca 0.10 -0.84 -0.02 0.00 0.00 0.00 0.00 61.98 61.22 1jny s VAL 421 Cb -0.03 -1.24 -0.03 0.00 0.00 0.00 0.00 36.38 35.08 1jny s VAL 421 CO 0.01 0.39 0.00 -0.83 0.00 0.00 0.00 175.10 174.67 1jny s GLY 422 N -0.52 0.38 -0.15 4.51 0.00 -0.30 -1.25 107.32 110.00 1jny s GLY 422 Ca 0.07 -1.04 0.01 0.00 0.00 0.00 0.00 44.72 43.76 1jny s GLY 422 CO -0.00 -1.16 -0.17 -0.42 0.00 0.00 0.00 173.10 171.35 1jny s ILE 423 N -3.59 2.55 -0.27 0.90 1.09 -0.34 -1.11 121.20 120.42 1jny s ILE 423 Ca 0.04 -0.81 -0.29 0.00 -1.10 0.00 0.00 60.65 58.49 1jny s ILE 423 Cb 0.05 -2.07 0.01 0.00 -1.06 0.00 0.00 42.46 39.40 1jny s ILE 423 CO -0.09 0.52 1.05 -0.63 -0.10 0.00 0.00 174.94 175.69 1jny s ILE 424 N 0.79 4.60 -1.36 2.92 1.01 0.66 -0.53 121.20 129.30 1jny s ILE 424 Ca -0.06 1.87 0.20 0.00 0.00 0.00 0.00 60.65 62.65 1jny s ILE 424 Cb -0.15 -4.35 -0.11 0.00 0.01 0.00 0.00 42.46 37.85 1jny s ILE 424 CO -0.00 -0.32 0.91 1.33 0.00 0.00 0.00 174.94 176.85 1jny n VAL 425 N 5.59 0.00 -3.61 2.92 0.24 0.93 -0.44 118.33 123.95 1jny n VAL 425 Ca 0.12 -0.17 -0.09 0.00 -2.04 0.00 0.00 64.34 62.16 1jny n VAL 425 Cb 0.47 1.12 -0.06 0.00 -1.47 0.00 0.00 33.84 33.89 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 -2.54 -0.36 -0.05 -1.34 2.15 -1.13 -4.94 116.67 108.46 1jny s ASP 426 Ca 0.12 0.57 0.02 0.00 0.43 0.00 0.00 52.55 53.69 1jny s ASP 426 Cb 0.15 0.54 0.02 0.00 -0.30 0.00 0.00 42.92 43.32 1jny s ASP 426 CO 0.65 -0.21 -0.08 -0.69 -0.17 0.00 0.00 175.17 174.66 1jny s VAL 427 N -0.40 0.81 -0.49 1.11 1.01 -1.26 -0.42 120.40 120.75 1jny s VAL 427 Ca 0.02 -0.30 -0.15 0.00 0.00 0.00 0.00 61.98 61.55 1jny s VAL 427 Cb -0.03 -0.77 0.10 0.00 0.00 0.00 0.00 36.38 35.68 1jny s VAL 427 CO -0.04 0.28 0.42 -0.75 0.00 0.00 0.00 175.10 175.01 1jny s LYS 428 N 0.69 2.93 0.64 2.72 2.20 0.92 -5.00 119.74 124.84 1jny s LYS 428 Ca -0.12 -1.52 -0.18 0.00 -0.36 0.00 0.00 55.97 53.80 1jny s LYS 428 Cb -0.14 -4.16 -0.03 0.00 -1.51 0.00 0.00 37.83 31.99 1jny s LYS 428 CO 0.02 -1.15 0.97 -2.30 -0.36 0.00 0.00 175.35 172.53 1jny n PRO 429 N 5.19 0.79 0.00 4.03 -0.02 -1.26 -0.36 135.00 143.36 1jny n PRO 429 Ca -0.13 0.32 0.10 0.00 -2.02 0.00 0.00 63.50 61.77 1jny n PRO 429 Cb 0.42 -2.20 0.08 0.00 -0.02 0.00 0.00 33.50 31.78 1jny n PRO 429 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48