#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3lgg h ILE 4 N 0.00 1.34 -0.76 2.46 2.04 -2.05 -2.59 117.51 117.95 3lgg h ILE 4 Ca 0.00 -2.15 0.10 0.00 1.00 0.00 0.00 64.86 63.82 3lgg h ILE 4 Cb 0.00 2.14 -0.05 0.00 -0.74 0.00 0.00 36.82 38.17 3lgg h ILE 4 CO 0.00 0.66 0.50 0.44 0.00 0.00 0.00 178.15 179.75 3lgg h ASP 5 N 0.36 0.58 0.02 1.72 3.32 -2.05 -1.07 116.42 119.31 3lgg h ASP 5 Ca -0.05 0.02 -0.22 0.00 0.02 0.00 0.00 57.03 56.80 3lgg h ASP 5 Cb 1.42 -0.10 0.01 0.00 0.22 0.00 0.00 39.33 40.87 3lgg h ASP 5 CO 0.15 0.34 -0.81 -0.33 -1.72 0.00 0.00 179.24 176.87 3lgg h GLU 6 N 0.64 0.64 -0.58 3.56 5.08 -1.97 -1.42 114.58 120.53 3lgg h GLU 6 Ca 0.36 -0.55 -0.02 0.00 -1.00 0.00 0.00 59.36 58.14 3lgg h GLU 6 Cb 0.52 0.12 -0.03 0.00 0.50 0.00 0.00 28.75 29.87 3lgg h GLU 6 CO -0.13 1.17 0.29 1.15 -1.00 0.00 0.00 179.01 180.49 3lgg h THR 7 N 0.43 1.20 -0.14 1.13 2.02 -1.02 -0.61 112.91 115.92 3lgg h THR 7 Ca -0.06 -0.57 -0.00 0.00 0.77 0.00 0.00 66.41 66.55 3lgg h THR 7 Cb 1.42 0.51 -0.01 0.00 -1.74 0.00 0.00 68.15 68.34 3lgg h THR 7 CO 0.16 0.23 0.08 -0.09 0.37 0.00 0.00 175.52 176.26 3lgg h ARG 8 N 0.79 0.19 -0.09 6.66 2.43 -1.16 -2.00 114.38 121.20 3lgg h ARG 8 Ca 0.20 -0.02 -0.07 0.00 -0.81 0.00 0.00 59.98 59.28 3lgg h ARG 8 Cb 0.10 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 29.60 3lgg h ARG 8 CO -0.03 0.21 -0.27 0.00 -1.51 0.00 0.00 179.97 178.37 3lgg h ALA 9 N 0.98 1.40 -0.31 2.80 0.00 -1.13 -2.40 119.26 120.59 3lgg h ALA 9 Ca 0.05 -0.29 -0.12 0.00 0.00 0.00 0.00 54.91 54.55 3lgg h ALA 9 Cb 0.07 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 17.78 3lgg h ALA 9 CO -0.01 0.43 -0.30 1.25 0.00 0.00 0.00 179.25 180.62 3lgg h HIS 10 N 0.14 0.89 -0.62 0.00 -0.00 -0.89 -1.77 115.15 112.89 3lgg h HIS 10 Ca 0.02 -0.26 -0.09 0.00 -0.00 0.00 0.00 60.37 60.04 3lgg h HIS 10 Cb 0.55 -0.19 -0.02 0.00 -0.00 0.00 0.00 27.41 27.75 3lgg h HIS 10 CO 0.01 1.02 0.04 -0.07 -0.00 0.00 0.00 177.93 178.93 3lgg h LEU 11 N 0.50 1.05 -0.72 0.26 3.38 -1.17 -0.11 115.31 118.49 3lgg h LEU 11 Ca 0.05 -0.29 -0.08 0.00 0.09 0.00 0.00 57.88 57.65 3lgg h LEU 11 Cb 0.87 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 41.32 3lgg h LEU 11 CO 0.07 1.08 0.05 -0.07 0.09 0.00 0.00 178.44 179.66 3lgg h LEU 12 N 0.98 0.99 -0.42 1.67 3.38 -1.42 -1.98 115.31 118.52 3lgg h LEU 12 Ca 0.18 -0.25 -0.16 0.00 0.09 0.00 0.00 57.88 57.73 3lgg h LEU 12 Cb 0.52 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 41.00 3lgg h LEU 12 CO 0.02 1.02 -0.46 0.25 0.09 0.00 0.00 178.44 179.36 3lgg h LEU 13 N 0.95 0.89 -0.39 1.67 5.85 -1.11 -1.01 115.31 122.17 3lgg h LEU 13 Ca 0.18 -0.44 0.02 0.00 0.84 0.00 0.00 57.88 58.48 3lgg h LEU 13 Cb 0.48 -0.25 -0.03 0.00 0.37 0.00 0.00 40.66 41.23 3lgg h LEU 13 CO 0.02 1.21 0.23 0.50 -0.34 0.00 0.00 178.44 180.06 3lgg h LYS 14 N 0.65 0.46 -0.24 1.25 3.64 -0.92 -0.36 116.57 121.05 3lgg h LYS 14 Ca 0.04 -0.03 -0.09 0.00 -1.27 0.00 0.00 60.65 59.30 3lgg h LYS 14 Cb 1.04 -0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 32.74 3lgg h LYS 14 CO 0.10 0.30 -0.22 0.93 -2.27 0.00 0.00 179.45 178.29 3lgg h GLU 15 N 0.47 0.44 -0.78 1.90 5.08 -1.27 -0.58 114.58 119.83 3lgg h GLU 15 Ca 0.15 -0.15 -0.02 0.00 -1.00 0.00 0.00 59.36 58.35 3lgg h GLU 15 Cb 0.00 -0.03 -0.04 0.00 0.50 0.00 0.00 28.75 29.18 3lgg h GLU 15 CO -0.07 0.64 0.42 -0.22 -1.00 0.00 0.00 179.01 178.78 3lgg h LYS 16 N 0.39 1.09 0.16 2.33 3.64 -0.79 -2.80 116.57 120.60 3lgg h LYS 16 Ca 0.06 -0.13 -0.30 0.00 -1.27 0.00 0.00 60.65 59.02 3lgg h LYS 16 Cb 0.61 -0.21 0.02 0.00 -0.41 0.00 0.00 32.23 32.24 3lgg h LYS 16 CO 0.04 0.80 -1.30 0.52 -2.27 0.00 0.00 179.45 177.25 3lgg h MET 17 N 1.10 0.42 0.00 1.90 2.86 -0.42 -3.35 114.93 117.43 3lgg h MET 17 Ca 0.28 -0.67 0.00 0.00 -2.06 0.00 0.00 59.70 57.25 3lgg h MET 17 Cb 0.04 0.24 0.00 0.00 0.06 0.00 0.00 31.60 31.94 3lgg h MET 17 CO -0.04 1.31 -0.49 0.00 1.06 0.00 0.00 176.91 178.75 3lgg n MET 18 N -3.65 0.20 -1.23 1.72 0.00 -0.29 -4.01 117.12 109.86 3lgg n MET 18 Ca -0.12 0.07 -0.31 0.00 0.00 0.00 0.00 57.70 57.35 3lgg n MET 18 Cb 1.03 -1.64 0.10 0.00 0.00 0.00 0.00 33.22 32.72 3lgg n MET 18 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 175.97 174.99 3lgg s ARG 19 N -3.11 2.00 0.01 3.17 1.70 -1.06 -1.96 118.95 119.70 3lgg s ARG 19 Ca 0.08 1.10 -0.32 0.00 -0.47 0.00 0.00 55.73 56.12 3lgg s ARG 19 Cb 0.15 -1.87 -0.11 0.00 -0.57 0.00 0.00 34.95 32.55 3lgg s ARG 19 CO 0.69 -1.81 1.88 -0.11 -1.08 0.00 0.00 175.30 174.88 3lgg n LEU 20 N -3.62 3.77 0.00 -1.89 0.00 -0.35 -0.73 117.00 114.17 3lgg n LEU 20 Ca 0.09 0.96 0.00 0.00 0.00 0.00 0.00 56.01 57.06 3lgg n LEU 20 Cb 0.53 -1.46 0.00 0.00 0.00 0.00 0.00 43.42 42.50 3lgg n LEU 20 CO 0.54 0.05 0.00 0.61 0.00 0.00 0.00 177.39 178.59 3lgg n GLY 21 N 4.35 0.98 0.33 -3.96 0.00 -1.26 -3.75 105.19 101.87 3lgg n GLY 21 Ca 0.21 0.00 0.22 0.00 0.00 0.00 0.00 46.02 46.44 3lgg n GLY 21 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3lgg h GLY 22 N 0.00 0.00 -1.51 -0.02 0.00 -1.12 -1.86 103.07 98.56 3lgg h GLY 22 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3lgg h GLY 22 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 176.54 177.08 3lgg n ARG 23 N -3.00 1.61 -1.94 4.80 1.74 -1.26 -4.64 116.66 113.97 3lgg n ARG 23 Ca -0.03 -1.63 -0.42 0.00 -0.77 0.00 0.00 57.85 55.00 3lgg n ARG 23 Cb 0.08 -1.36 -0.03 0.00 -1.02 0.00 0.00 32.46 30.13 3lgg n ARG 23 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 3lgg s LEU 24 N -1.51 4.37 -0.23 0.55 1.43 -0.70 -4.98 118.68 117.61 3lgg s LEU 24 Ca 0.22 2.67 -0.20 0.00 -1.03 0.00 0.00 54.13 55.79 3lgg s LEU 24 Cb 0.16 -3.61 -0.02 0.00 0.03 0.00 0.00 46.19 42.74 3lgg s LEU 24 CO 0.23 -0.79 0.61 -0.69 0.23 0.00 0.00 176.35 175.94 3lgg s VAL 25 N 0.65 5.02 0.08 -1.59 1.01 -1.26 -5.03 120.40 119.28 3lgg s VAL 25 Ca 0.66 1.12 -0.18 0.00 0.00 0.00 0.00 61.98 63.58 3lgg s VAL 25 Cb -0.44 -3.92 -0.07 0.00 0.00 0.00 0.00 36.38 31.96 3lgg s VAL 25 CO 0.37 0.08 0.56 -0.76 0.00 0.00 0.00 175.10 175.35 3lgg s LEU 26 N 2.16 4.50 0.78 3.92 1.02 -1.26 -5.10 118.68 124.69 3lgg s LEU 26 Ca 0.27 1.22 -0.09 0.00 0.02 0.00 0.00 54.13 55.55 3lgg s LEU 26 Cb -0.16 -2.94 0.10 0.00 0.02 0.00 0.00 46.19 43.21 3lgg s LEU 26 CO 0.09 0.25 1.11 0.54 0.02 0.00 0.00 176.35 178.37 3lgg s ASN 27 N -1.20 4.40 0.41 2.29 2.20 -1.26 -4.81 114.94 116.98 3lgg s ASN 27 Ca 0.30 0.45 0.15 0.00 -0.94 0.00 0.00 52.86 52.81 3lgg s ASN 27 Cb -0.19 -0.93 0.89 0.00 -2.00 0.00 0.00 41.25 39.03 3lgg s ASN 27 CO 0.19 -1.90 1.91 0.71 -2.94 0.00 0.00 177.10 175.07 3lgg h THR 28 N -0.90 1.14 -0.19 0.54 1.35 -1.99 0.11 112.91 112.98 3lgg h THR 28 Ca -0.44 -0.96 -0.04 0.00 -0.55 0.00 0.00 66.41 64.42 3lgg h THR 28 Cb 1.30 1.53 -0.01 0.00 -1.73 0.00 0.00 68.15 69.24 3lgg h THR 28 CO 0.56 0.27 -0.02 0.50 -0.25 0.00 0.00 175.52 176.58 3lgg h LYS 29 N 0.00 0.35 -0.53 4.72 1.63 -1.99 -2.37 116.57 118.39 3lgg h LYS 29 Ca -0.00 -0.12 -0.09 0.00 -0.85 0.00 0.00 60.65 59.59 3lgg h LYS 29 Cb 0.51 -0.03 -0.02 0.00 -0.60 0.00 0.00 32.23 32.09 3lgg h LYS 29 CO 0.04 0.58 -0.02 0.93 -3.45 0.00 0.00 179.45 177.53 3lgg h GLU 30 N 0.09 0.91 -0.81 1.90 5.08 -1.63 -1.73 114.58 118.39 3lgg h GLU 30 Ca 0.05 -0.28 0.03 0.00 -1.00 0.00 0.00 59.36 58.17 3lgg h GLU 30 Cb 0.44 -0.09 -0.05 0.00 0.50 0.00 0.00 28.75 29.55 3lgg h GLU 30 CO 0.01 0.92 0.53 0.93 -1.00 0.00 0.00 179.01 180.41 3lgg h GLU 31 N 0.84 0.99 -0.29 2.33 4.39 -0.81 0.20 114.58 122.22 3lgg h GLU 31 Ca 0.15 -0.06 -0.14 0.00 0.34 0.00 0.00 59.36 59.66 3lgg h GLU 31 Cb 0.53 -0.22 -0.00 0.00 -0.10 0.00 0.00 28.75 28.95 3lgg h GLU 31 CO 0.03 0.65 -0.36 1.25 -1.16 0.00 0.00 179.01 179.42 3lgg h LEU 32 N 1.02 0.81 -0.49 1.33 7.12 -1.02 -1.28 115.31 122.81 3lgg h LEU 32 Ca 0.32 -0.49 -0.06 0.00 0.13 0.00 0.00 57.88 57.77 3lgg h LEU 32 Cb 0.02 -0.23 -0.02 0.00 -0.53 0.00 0.00 40.66 39.90 3lgg h LEU 32 CO -0.09 1.14 0.06 0.00 -0.13 0.00 0.00 178.44 179.42 3lgg h ALA 33 N 0.69 0.65 -0.65 1.25 0.00 -1.03 -2.49 119.26 117.68 3lgg h ALA 33 Ca 0.04 -0.24 0.03 0.00 0.00 0.00 0.00 54.91 54.73 3lgg h ALA 33 Cb 0.94 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 18.51 3lgg h ALA 33 CO 0.08 0.40 0.40 -0.97 0.00 0.00 0.00 179.25 179.16 3lgg h ASN 34 N 0.69 0.65 -0.90 0.00 -0.73 -0.57 0.15 115.58 114.87 3lgg h ASN 34 Ca 0.15 0.00 -0.01 0.00 1.87 0.00 0.00 56.30 58.31 3lgg h ASN 34 Cb 0.42 -0.14 -0.04 0.00 0.27 0.00 0.00 38.32 38.83 3lgg h ASN 34 CO 0.01 0.45 0.51 -0.08 -0.37 0.00 0.00 177.43 177.95 3lgg h GLU 35 N 0.78 1.24 -0.01 6.67 4.81 -1.08 0.32 114.58 127.32 3lgg h GLU 35 Ca 0.26 -0.13 -0.26 0.00 -0.13 0.00 0.00 59.36 59.10 3lgg h GLU 35 Cb 0.03 -0.25 0.02 0.00 0.63 0.00 0.00 28.75 29.18 3lgg h GLU 35 CO -0.11 0.90 -1.02 0.00 -0.73 0.00 0.00 179.01 178.05 3lgg h ARG 36 N 1.25 0.70 0.00 1.92 3.08 -1.17 -2.39 114.38 117.78 3lgg h ARG 36 Ca 0.32 -0.74 0.01 0.00 0.07 0.00 0.00 59.98 59.64 3lgg h ARG 36 Cb -0.00 0.21 -0.01 0.00 0.08 0.00 0.00 29.97 30.24 3lgg h ARG 36 CO -0.05 1.32 -0.06 1.25 -1.07 0.00 0.00 179.97 181.35 3lgg h LEU 37 N 0.38 -0.19 -1.09 3.04 5.85 -0.48 -2.71 115.31 120.12 3lgg h LEU 37 Ca -0.13 0.03 -0.06 0.00 0.84 0.00 0.00 57.88 58.57 3lgg h LEU 37 Cb 1.67 0.08 -0.02 0.00 0.37 0.00 0.00 40.66 42.76 3lgg h LEU 37 CO 0.20 -0.10 0.01 0.24 -0.34 0.00 0.00 178.44 178.46 3lgg h MET 38 N -0.12 0.65 -0.50 1.25 2.86 -0.41 -1.32 114.93 117.35 3lgg h MET 38 Ca 0.03 -0.15 0.03 0.00 -2.06 0.00 0.00 59.70 57.55 3lgg h MET 38 Cb 0.15 -0.09 -0.04 0.00 0.06 0.00 0.00 31.60 31.68 3lgg h MET 38 CO -0.07 0.66 0.27 1.15 1.06 0.00 0.00 176.91 179.99 3lgg h THR 39 N 0.62 1.00 -0.33 2.22 2.02 -1.40 0.12 112.91 117.17 3lgg h THR 39 Ca 0.13 -0.18 -0.12 0.00 0.77 0.00 0.00 66.41 67.01 3lgg h THR 39 Cb 0.37 0.42 -0.01 0.00 -1.74 0.00 0.00 68.15 67.18 3lgg h THR 39 CO 0.01 0.10 -0.29 -0.07 0.37 0.00 0.00 175.52 175.64 3lgg h LEU 40 N 0.53 0.71 0.22 2.58 3.38 -1.10 -2.29 115.31 119.33 3lgg h LEU 40 Ca 0.21 -0.27 -0.01 0.00 0.09 0.00 0.00 57.88 57.90 3lgg h LEU 40 Cb 0.08 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 40.64 3lgg h LEU 40 CO -0.13 0.95 -0.11 0.50 0.09 0.00 0.00 178.44 179.75 3lgg h LYS 41 N 0.59 -0.29 -0.41 1.13 3.64 -0.99 -2.54 116.57 117.70 3lgg h LYS 41 Ca 0.07 0.02 0.06 0.00 -1.27 0.00 0.00 60.65 59.53 3lgg h LYS 41 Cb 0.79 0.07 -0.05 0.00 -0.41 0.00 0.00 32.23 32.62 3lgg h LYS 41 CO 0.06 0.03 0.12 0.82 -2.27 0.00 0.00 179.45 178.22 3lgg h ILE 42 N -0.63 0.84 -0.96 2.00 2.04 -0.77 -0.70 117.51 119.32 3lgg h ILE 42 Ca -0.03 -0.09 0.06 0.00 1.00 0.00 0.00 64.86 65.80 3lgg h ILE 42 Cb 0.45 0.54 -0.06 0.00 -0.74 0.00 0.00 36.82 37.01 3lgg h ILE 42 CO 0.05 0.05 0.62 0.00 0.00 0.00 0.00 178.15 178.87 3lgg h ALA 43 N 1.29 1.33 -0.43 1.87 0.00 -1.47 0.18 119.26 122.02 3lgg h ALA 43 Ca 0.20 -0.02 -0.14 0.00 0.00 0.00 0.00 54.91 54.94 3lgg h ALA 43 Cb 0.21 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 3lgg h ALA 43 CO -0.22 0.41 -0.30 1.49 0.00 0.00 0.00 179.25 180.63 3lgg h GLU 44 N 1.13 0.95 -0.24 0.00 4.81 -0.95 -2.40 114.58 117.88 3lgg h GLU 44 Ca 0.41 -0.45 -0.17 0.00 -0.13 0.00 0.00 59.36 59.02 3lgg h GLU 44 Cb 0.15 -0.01 -0.00 0.00 0.63 0.00 0.00 28.75 29.51 3lgg h GLU 44 CO -0.17 1.11 -0.53 0.52 -0.73 0.00 0.00 179.01 179.22 3lgg h MET 45 N 0.80 0.69 -0.36 1.92 2.86 -0.67 -2.09 114.93 118.09 3lgg h MET 45 Ca 0.09 -0.43 0.06 0.00 -2.06 0.00 0.00 59.70 57.36 3lgg h MET 45 Cb 0.88 0.05 -0.05 0.00 0.06 0.00 0.00 31.60 32.53 3lgg h MET 45 CO 0.08 1.05 0.03 0.87 1.06 0.00 0.00 176.91 180.00 3lgg h LYS 46 N 0.54 0.13 -0.75 1.72 6.56 -0.60 0.28 116.57 124.45 3lgg h LYS 46 Ca 0.02 -0.01 -0.05 0.00 -1.06 0.00 0.00 60.65 59.55 3lgg h LYS 46 Cb 1.10 -0.03 -0.03 0.00 -0.57 0.00 0.00 32.23 32.70 3lgg h LYS 46 CO 0.11 0.09 0.29 1.49 -2.06 0.00 0.00 179.45 179.36 3lgg h GLU 47 N 0.14 1.14 -0.05 3.15 4.57 -1.35 -1.24 114.58 120.93 3lgg h GLU 47 Ca 0.18 -0.21 -0.10 0.00 -1.18 0.00 0.00 59.36 58.04 3lgg h GLU 47 Cb 0.23 -0.18 -0.01 0.00 -0.16 0.00 0.00 28.75 28.63 3lgg h GLU 47 CO -0.27 0.94 -0.41 0.00 -1.18 0.00 0.00 179.01 178.08 3lgg h ALA 48 N 1.15 1.21 -0.07 2.92 0.00 -1.09 -0.72 119.26 122.67 3lgg h ALA 48 Ca 0.25 -0.40 -0.11 0.00 0.00 0.00 0.00 54.91 54.65 3lgg h ALA 48 Cb 0.23 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 3lgg h ALA 48 CO -0.02 0.56 -0.47 0.52 0.00 0.00 0.00 179.25 179.84 3lgg h MET 49 N 0.10 0.16 0.13 0.00 2.86 -0.54 0.30 114.93 117.94 3lgg h MET 49 Ca 0.01 -0.09 -0.01 0.00 -2.06 0.00 0.00 59.70 57.55 3lgg h MET 49 Cb 0.78 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.44 3lgg h MET 49 CO 0.06 0.61 -0.06 -0.09 1.06 0.00 0.00 176.91 178.48 3lgg h ARG 50 N 0.13 -0.17 0.00 1.72 2.43 -0.67 -3.37 114.38 114.46 3lgg h ARG 50 Ca 0.01 0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.19 3lgg h ARG 50 Cb 0.89 0.04 0.00 0.00 -0.42 0.00 0.00 29.97 30.48 3lgg h ARG 50 CO 0.07 0.29 -1.04 0.25 -1.51 0.00 0.00 179.97 178.03 3lgg n THR 51 N -4.92 0.34 -0.99 0.20 -2.24 -0.33 -4.95 114.28 101.39 3lgg n THR 51 Ca -0.08 -0.38 0.00 0.00 -2.27 0.00 0.00 64.05 61.32 3lgg n THR 51 Cb 0.27 -0.06 0.00 0.00 -2.10 0.00 0.00 70.33 68.44 3lgg n THR 51 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 3lgg n LEU 52 N -2.26 0.76 -4.51 3.22 4.77 0.10 -4.95 117.00 114.14 3lgg n LEU 52 Ca 0.01 0.00 -0.42 0.00 -0.03 0.00 0.00 56.01 55.56 3lgg n LEU 52 Cb 0.49 -2.00 -0.03 0.00 -2.33 0.00 0.00 43.42 39.55 3lgg n LEU 52 CO 0.40 -0.75 1.25 -0.63 -1.33 0.00 0.00 177.39 176.33 3lgg s ILE 53 N -1.25 4.32 -0.28 -0.08 1.01 -1.24 -4.95 121.20 118.72 3lgg s ILE 53 Ca 0.00 -1.19 0.02 0.00 0.00 0.00 0.00 60.65 59.48 3lgg s ILE 53 Cb 0.00 -4.93 0.08 0.00 0.01 0.00 0.00 42.46 37.62 3lgg s ILE 53 CO 0.00 -1.74 0.01 0.12 0.00 0.00 0.00 174.94 173.33 3lgg s PHE 54 N 3.85 2.70 0.25 3.97 5.36 -1.26 -4.49 117.98 128.36 3lgg s PHE 54 Ca 0.40 -2.16 -0.06 0.00 -0.96 0.00 0.00 56.93 54.15 3lgg s PHE 54 Cb -0.02 -2.03 0.46 0.00 -0.34 0.00 0.00 43.02 41.09 3lgg s PHE 54 CO -0.09 -0.86 1.65 -1.35 -1.46 0.00 0.00 175.22 173.11 3lgg h PRO 55 N 7.87 0.16 0.00 10.12 0.11 -1.92 -0.49 132.00 147.85 3lgg h PRO 55 Ca -0.13 -0.01 -0.00 0.00 0.11 0.00 0.00 66.00 65.97 3lgg h PRO 55 Cb 1.04 -0.04 -0.00 0.00 0.11 0.00 0.00 31.00 32.11 3lgg h PRO 55 CO 0.46 0.11 -0.02 -1.35 -0.21 0.00 0.00 178.00 176.98 3lgg h PRO 56 N 0.16 0.00 0.00 1.05 0.11 -1.95 -0.46 132.00 130.91 3lgg h PRO 56 Ca 0.42 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.53 3lgg h PRO 56 Cb 0.75 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.86 3lgg h PRO 56 CO -0.60 0.02 -0.16 -1.13 -0.21 0.00 0.00 178.00 175.92 3lgg n SER 57 N -3.71 0.42 -4.97 -2.05 3.41 -0.20 -1.73 113.62 104.80 3lgg n SER 57 Ca -0.03 0.36 -0.21 0.00 -0.26 0.00 0.00 58.87 58.74 3lgg n SER 57 Cb 0.11 -0.39 -0.01 0.00 -0.26 0.00 0.00 64.21 63.66 3lgg n SER 57 CO 0.00 0.00 0.00 -0.04 -0.16 0.00 0.00 175.04 174.84 3lgg s MET 58 N -3.05 3.28 0.24 4.33 -1.94 -0.18 -4.50 119.30 117.48 3lgg s MET 58 Ca 0.11 -0.79 -0.31 0.00 -1.71 0.00 0.00 55.69 53.00 3lgg s MET 58 Cb 0.16 -2.81 -0.11 0.00 2.01 0.00 0.00 34.83 34.09 3lgg s MET 58 CO 0.60 0.19 1.54 -1.58 -0.01 0.00 0.00 175.02 175.76 3lgg s HIS 59 N -2.15 2.95 0.44 -0.03 5.65 -1.26 -4.81 115.29 116.07 3lgg s HIS 59 Ca 0.40 0.80 0.20 0.00 0.25 0.00 0.00 55.06 56.72 3lgg s HIS 59 Cb -0.09 -3.94 1.15 0.00 -1.18 0.00 0.00 32.58 28.52 3lgg s HIS 59 CO 0.31 -3.25 1.87 0.35 -0.65 0.00 0.00 174.74 173.37 3lgg h PHE 60 N 5.56 0.44 -0.79 3.88 3.57 -1.94 -0.27 116.94 127.39 3lgg h PHE 60 Ca -0.45 0.01 0.03 0.00 3.53 0.00 0.00 57.97 61.09 3lgg h PHE 60 Cb 1.21 -0.13 -0.05 0.00 2.79 0.00 0.00 35.95 39.77 3lgg h PHE 60 CO 0.61 0.12 0.51 0.74 -2.23 0.00 0.00 178.31 178.05 3lgg h PHE 61 N 0.33 0.95 0.00 0.41 0.04 -1.90 -0.21 116.94 116.56 3lgg h PHE 61 Ca 0.45 0.03 -0.11 0.00 2.80 0.00 0.00 57.97 61.14 3lgg h PHE 61 Cb 1.24 -0.31 -0.02 0.00 2.20 0.00 0.00 35.95 39.06 3lgg h PHE 61 CO -0.00 0.54 -0.81 1.96 -0.60 0.00 0.00 178.31 179.40 3lgg h GLN 62 N 0.98 0.00 0.00 1.51 7.50 -1.43 -3.36 115.11 120.32 3lgg h GLN 62 Ca 0.32 0.00 -0.01 0.00 0.50 0.00 0.00 58.65 59.46 3lgg h GLN 62 Cb 0.01 0.00 -0.00 0.00 0.05 0.00 0.00 27.48 27.54 3lgg h GLN 62 CO -0.11 0.37 -0.78 0.00 -1.50 0.00 0.00 178.83 176.81 3lgg h ALA 63 N 1.53 0.62 -0.29 3.87 0.00 -0.74 -3.40 119.26 120.86 3lgg h ALA 63 Ca -0.06 -0.04 0.06 0.00 0.00 0.00 0.00 54.91 54.88 3lgg h ALA 63 Cb 1.40 0.01 -0.06 0.00 0.00 0.00 0.00 17.79 19.14 3lgg h ALA 63 CO 0.05 0.04 -0.12 -0.22 0.00 0.00 0.00 179.25 179.00 3lgg h LYS 64 N 0.00 -0.07 0.00 0.00 3.64 -1.19 -0.89 116.57 118.06 3lgg h LYS 64 Ca -0.01 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.38 3lgg h LYS 64 Cb 1.03 0.02 -0.00 0.00 -0.41 0.00 0.00 32.23 32.86 3lgg h LYS 64 CO 0.00 -0.04 -0.00 1.12 -2.27 0.00 0.00 179.45 178.26 3lgg h HIS 65 N -0.07 0.00 -0.01 1.91 2.07 -1.85 -1.17 115.15 116.04 3lgg h HIS 65 Ca 0.15 0.00 -0.24 0.00 -2.85 0.00 0.00 60.37 57.43 3lgg h HIS 65 Cb 0.29 0.00 0.01 0.00 2.57 0.00 0.00 27.41 30.28 3lgg h HIS 65 CO -0.32 0.00 -0.97 -0.07 -3.07 0.00 0.00 177.93 173.50 3lgg h LEU 66 N 0.00 0.70 -1.22 6.12 3.38 -1.51 -3.17 115.31 119.61 3lgg h LEU 66 Ca -0.00 -0.55 -0.05 0.00 0.09 0.00 0.00 57.88 57.37 3lgg h LEU 66 Cb 0.00 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.52 3lgg h LEU 66 CO 0.00 1.35 0.03 0.40 0.09 0.00 0.00 178.44 180.32 3lgg h ILE 67 N 0.31 1.20 0.00 1.22 2.04 -0.38 -2.55 117.51 119.34 3lgg h ILE 67 Ca -0.10 -0.76 -0.01 0.00 1.00 0.00 0.00 64.86 65.00 3lgg h ILE 67 Cb 1.61 0.88 -0.00 0.00 -0.74 0.00 0.00 36.82 38.57 3lgg h ILE 67 CO 0.18 0.26 -0.06 -0.33 0.00 0.00 0.00 178.15 178.21 3lgg h GLU 68 N 0.55 0.00 -0.12 2.37 5.08 -1.25 -2.41 114.58 118.79 3lgg h GLU 68 Ca 0.12 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.48 3lgg h GLU 68 Cb 0.30 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.55 3lgg h GLU 68 CO 0.01 0.06 0.00 0.54 -1.00 0.00 0.00 179.01 178.61 3lgg n ARG 69 N -3.17 1.76 -3.25 2.33 1.74 -0.97 -4.90 116.66 110.21 3lgg n ARG 69 Ca 0.01 -1.13 -0.38 0.00 -0.77 0.00 0.00 57.85 55.57 3lgg n ARG 69 Cb 0.34 -1.43 -0.06 0.00 -1.02 0.00 0.00 32.46 30.30 3lgg n ARG 69 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 3lgg s SER 70 N -1.71 6.73 0.42 0.55 0.15 -0.91 -4.96 113.70 113.98 3lgg s SER 70 Ca 0.34 0.87 0.09 0.00 0.70 0.00 0.00 55.95 57.96 3lgg s SER 70 Cb 0.19 -2.31 0.91 0.00 -1.71 0.00 0.00 66.02 63.10 3lgg s SER 70 CO 0.29 -0.05 2.03 1.56 1.20 0.00 0.00 173.24 178.27 3lgg h GLN 71 N 6.83 0.35 -0.02 5.44 1.08 -1.91 -0.59 115.11 126.28 3lgg h GLN 71 Ca -0.40 -0.04 -0.00 0.00 -1.45 0.00 0.00 58.65 56.76 3lgg h GLN 71 Cb 1.18 -0.07 -0.00 0.00 -0.05 0.00 0.00 27.48 28.54 3lgg h GLN 71 CO 0.75 0.30 0.00 0.28 -0.95 0.00 0.00 178.83 179.22 3lgg h VAL 72 N 0.35 1.22 -0.42 -0.54 2.07 -1.93 -2.08 116.25 114.93 3lgg h VAL 72 Ca 0.09 -0.66 0.08 0.00 0.82 0.00 0.00 66.70 67.03 3lgg h VAL 72 Cb 0.08 1.63 -0.07 0.00 -1.52 0.00 0.00 31.29 31.41 3lgg h VAL 72 CO -0.01 0.17 -0.02 0.15 0.02 0.00 0.00 177.57 177.89 3lgg h PHE 73 N -0.23 -0.06 -0.52 1.57 3.57 -1.71 -0.96 116.94 118.59 3lgg h PHE 73 Ca 0.01 0.03 0.10 0.00 3.53 0.00 0.00 57.97 61.64 3lgg h PHE 73 Cb 0.28 0.09 -0.09 0.00 2.79 0.00 0.00 35.95 39.02 3lgg h PHE 73 CO 0.02 -0.10 -0.03 -0.97 -2.23 0.00 0.00 178.31 174.99 3lgg h ASN 74 N 0.09 -0.29 -0.89 0.41 -1.24 -1.01 0.87 115.58 113.51 3lgg h ASN 74 Ca 0.21 0.13 -0.01 0.00 0.71 0.00 0.00 56.30 57.34 3lgg h ASN 74 Cb 0.30 0.25 -0.04 0.00 0.73 0.00 0.00 38.32 39.56 3lgg h ASN 74 CO -0.36 -0.11 0.50 0.40 -1.29 0.00 0.00 177.43 176.57 3lgg h ILE 75 N 0.08 1.25 0.00 2.57 2.04 -0.78 -2.77 117.51 119.90 3lgg h ILE 75 Ca 0.26 -0.60 -0.10 0.00 1.00 0.00 0.00 64.86 65.42 3lgg h ILE 75 Cb 0.41 0.03 -0.01 0.00 -0.74 0.00 0.00 36.82 36.51 3lgg h ILE 75 CO -0.47 0.28 -0.47 -0.07 0.00 0.00 0.00 178.15 177.42 3lgg h LEU 76 N 1.24 0.00 -0.72 1.44 3.38 0.25 -2.32 115.31 118.57 3lgg h LEU 76 Ca 0.32 0.00 0.03 0.00 0.09 0.00 0.00 57.88 58.31 3lgg h LEU 76 Cb -0.00 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 40.71 3lgg h LEU 76 CO -0.05 0.47 0.46 0.03 0.09 0.00 0.00 178.44 179.44 3lgg h ARG 77 N 0.00 0.88 0.00 1.13 2.47 -0.62 -2.85 114.38 115.39 3lgg h ARG 77 Ca -0.00 -0.05 -0.07 0.00 -1.26 0.00 0.00 59.98 58.59 3lgg h ARG 77 Cb 0.87 -0.20 -0.01 0.00 -1.65 0.00 0.00 29.97 28.99 3lgg h ARG 77 CO 0.06 0.58 -0.32 0.52 0.56 0.00 0.00 179.97 181.37 3lgg h MET 78 N 0.91 0.00 -6.51 0.04 2.86 -1.30 -3.42 114.93 107.52 3lgg h MET 78 Ca 0.29 0.00 -0.53 0.00 -2.06 0.00 0.00 59.70 57.39 3lgg h MET 78 Cb -0.01 0.00 0.02 0.00 0.06 0.00 0.00 31.60 31.67 3lgg h MET 78 CO -0.10 0.32 0.82 1.41 1.06 0.00 0.00 176.91 180.43 3lgg s MET 79 N -3.80 4.27 -0.39 1.72 0.00 -1.02 -4.94 119.30 115.13 3lgg s MET 79 Ca -0.01 2.15 -0.28 0.00 0.00 0.00 0.00 55.69 57.56 3lgg s MET 79 Cb 0.12 -3.36 -0.03 0.00 0.00 0.00 0.00 34.83 31.56 3lgg s MET 79 CO 0.67 -0.55 1.97 -1.25 0.00 0.00 0.00 175.02 175.86 3lgg s PRO 80 N 1.64 2.97 0.00 4.11 0.04 -1.26 -4.75 135.00 137.75 3lgg s PRO 80 Ca 0.67 1.36 0.25 0.00 0.04 0.00 0.00 61.00 63.32 3lgg s PRO 80 Cb -0.38 -4.32 0.55 0.00 0.04 0.00 0.00 34.50 30.39 3lgg s PRO 80 CO 0.30 -2.29 1.44 1.63 0.04 0.00 0.00 177.00 178.12 3lgg n LYS 81 N 8.73 0.21 0.00 4.56 5.02 -0.86 -4.93 118.16 130.88 3lgg n LYS 81 Ca 0.26 -0.12 0.00 0.00 -2.02 0.00 0.00 58.31 56.42 3lgg n LYS 81 Cb 0.49 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 34.00 3lgg n LYS 81 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3lgg n GLY 82 N 1.46 1.15 3.30 0.72 0.00 -1.26 -4.35 105.19 106.21 3lgg n GLY 82 Ca 0.07 -0.74 -0.26 0.00 0.00 0.00 0.00 46.02 45.09 3lgg n GLY 82 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3lgg s ALA 83 N -1.68 1.95 -0.38 4.61 0.00 -1.26 -1.08 121.76 123.91 3lgg s ALA 83 Ca 0.00 -1.26 -0.15 0.00 0.00 0.00 0.00 51.96 50.56 3lgg s ALA 83 Cb 0.00 -0.31 0.01 0.00 0.00 0.00 0.00 23.12 22.82 3lgg s ALA 83 CO 0.00 0.42 0.32 0.00 0.00 0.00 0.00 175.76 176.50 3lgg s ALA 84 N -1.04 3.48 -0.49 0.00 0.00 0.01 -4.89 121.76 118.83 3lgg s ALA 84 Ca 0.09 -1.53 0.18 0.00 0.00 0.00 0.00 51.96 50.70 3lgg s ALA 84 Cb -0.10 -2.85 -0.24 0.00 0.00 0.00 0.00 23.12 19.93 3lgg s ALA 84 CO 0.04 -1.31 0.61 1.28 0.00 0.00 0.00 175.76 176.38 3lgg n LEU 85 N 5.26 0.48 -3.82 0.00 4.32 -1.26 -1.38 117.00 120.59 3lgg n LEU 85 Ca -0.10 -0.28 -0.30 0.00 -0.02 0.00 0.00 56.01 55.31 3lgg n LEU 85 Cb 0.48 0.00 -0.14 0.00 -1.62 0.00 0.00 43.42 42.14 3lgg n LEU 85 CO 0.41 0.12 -0.29 -2.28 -1.22 0.00 0.00 177.39 174.13 3lgg s HIS 86 N -2.97 2.45 0.04 -1.77 2.46 -1.26 -4.66 115.29 109.58 3lgg s HIS 86 Ca 0.01 -2.42 -0.03 0.00 0.47 0.00 0.00 55.06 53.09 3lgg s HIS 86 Cb 0.13 -2.19 -0.02 0.00 -0.13 0.00 0.00 32.58 30.37 3lgg s HIS 86 CO 0.76 -0.85 0.03 -0.51 -2.47 0.00 0.00 174.74 171.70 3lgg s LEU 87 N 0.83 2.09 0.01 8.88 1.43 -1.24 -1.68 118.68 129.00 3lgg s LEU 87 Ca 0.13 -0.66 0.04 0.00 -1.03 0.00 0.00 54.13 52.62 3lgg s LEU 87 Cb -0.21 0.38 -0.03 0.00 0.03 0.00 0.00 46.19 46.36 3lgg s LEU 87 CO -0.10 -0.49 -0.11 -1.00 0.23 0.00 0.00 176.35 174.87 3lgg s HIS 88 N -2.75 2.76 0.27 0.29 3.76 -0.91 0.09 115.29 118.80 3lgg s HIS 88 Ca -0.04 -0.12 -0.04 0.00 -0.15 0.00 0.00 55.06 54.70 3lgg s HIS 88 Cb -0.00 -1.57 0.52 0.00 1.11 0.00 0.00 32.58 32.64 3lgg s HIS 88 CO -0.05 0.31 1.46 -0.40 -0.85 0.00 0.00 174.74 175.20 3lgg n ASP 89 N 1.67 -0.26 -0.75 1.40 5.68 0.35 -2.32 116.55 122.32 3lgg n ASP 89 Ca -0.16 1.60 0.04 0.00 -0.50 0.00 0.00 54.79 55.76 3lgg n ASP 89 Cb 0.52 -0.51 0.20 0.00 -1.14 0.00 0.00 41.12 40.19 3lgg n ASP 89 CO 0.00 0.00 0.00 2.30 -1.33 0.00 0.00 177.20 178.17 3lgg n ILE 90 N -5.47 2.28 -1.16 2.12 -5.35 -1.26 -4.55 119.36 105.97 3lgg n ILE 90 Ca 0.17 -2.61 0.08 0.00 -0.27 0.00 0.00 62.75 60.11 3lgg n ILE 90 Cb 0.55 -0.27 0.11 0.00 -1.74 0.00 0.00 39.64 38.28 3lgg n ILE 90 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3lgg n GLY 91 N -1.08 3.96 0.31 3.28 0.00 -0.98 -4.82 105.19 105.86 3lgg n GLY 91 Ca 0.24 -0.87 0.03 0.00 0.00 0.00 0.00 46.02 45.42 3lgg n GLY 91 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 3lgg n ILE 92 N -1.13 0.44 -4.65 -0.61 -5.35 -1.26 -2.17 119.36 104.63 3lgg n ILE 92 Ca 0.12 -0.72 -0.27 0.00 -0.27 0.00 0.00 62.75 61.61 3lgg n ILE 92 Cb 0.63 0.86 -0.17 0.00 -1.74 0.00 0.00 39.64 39.22 3lgg n ILE 92 CO 0.00 0.00 0.00 -0.69 -1.76 0.00 0.00 176.55 174.10 3lgg s VAL 93 N -0.74 1.40 0.11 7.28 1.01 -1.26 -4.74 120.40 123.45 3lgg s VAL 93 Ca 0.10 -0.62 -0.36 0.00 0.00 0.00 0.00 61.98 61.11 3lgg s VAL 93 Cb 0.06 -1.26 -0.16 0.00 0.00 0.00 0.00 36.38 35.02 3lgg s VAL 93 CO 0.09 0.42 1.41 0.41 0.00 0.00 0.00 175.10 177.42 3lgg n THR 94 N 3.89 0.00 0.25 3.92 -1.04 -1.26 -4.72 114.28 115.32 3lgg n THR 94 Ca -0.21 -0.00 0.12 0.00 -2.04 0.00 0.00 64.05 61.92 3lgg n THR 94 Cb 0.52 -1.03 0.64 0.00 -1.82 0.00 0.00 70.33 68.64 3lgg n THR 94 CO 0.00 0.00 0.00 0.24 -0.64 0.00 0.00 175.07 174.67 3lgg h MET 95 N 4.95 0.00 -0.89 -2.82 2.86 -1.94 -2.89 114.93 114.20 3lgg h MET 95 Ca -0.47 0.00 0.14 0.00 -2.06 0.00 0.00 59.70 57.31 3lgg h MET 95 Cb 1.31 0.00 -0.15 0.00 0.06 0.00 0.00 31.60 32.83 3lgg h MET 95 CO 0.81 0.15 -0.39 0.22 1.06 0.00 0.00 176.91 178.76 3lgg h ASP 96 N 0.00 -1.42 -0.28 1.22 1.82 -1.96 -0.31 116.42 115.49 3lgg h ASP 96 Ca -0.00 0.29 -0.03 0.00 -0.39 0.00 0.00 57.03 56.90 3lgg h ASP 96 Cb 0.50 0.73 -0.02 0.00 0.68 0.00 0.00 39.33 41.22 3lgg h ASP 96 CO 0.02 -0.29 0.09 -0.25 -1.61 0.00 0.00 179.24 177.20 3lgg h TRP 97 N -0.04 0.51 -0.62 0.28 7.01 -1.89 0.37 115.95 121.57 3lgg h TRP 97 Ca 0.31 -0.03 -0.02 0.00 2.11 0.00 0.00 58.89 61.26 3lgg h TRP 97 Cb 0.58 -0.16 -0.03 0.00 -2.10 0.00 0.00 29.16 27.45 3lgg h TRP 97 CO -0.83 0.44 0.30 -0.07 -2.79 0.00 0.00 178.44 175.50 3lgg h LEU 98 N 0.51 0.81 0.09 0.65 3.38 -1.19 -1.75 115.31 117.81 3lgg h LEU 98 Ca 0.12 -0.13 -0.00 0.00 0.09 0.00 0.00 57.88 57.96 3lgg h LEU 98 Cb 0.18 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 40.73 3lgg h LEU 98 CO -0.01 0.71 -0.04 0.58 0.09 0.00 0.00 178.44 179.78 3lgg h VAL 99 N 0.86 0.28 -0.24 1.22 2.07 -1.11 -2.17 116.25 117.15 3lgg h VAL 99 Ca 0.21 -1.10 -0.08 0.00 0.82 0.00 0.00 66.70 66.56 3lgg h VAL 99 Cb 0.11 0.52 -0.01 0.00 -1.52 0.00 0.00 31.29 30.39 3lgg h VAL 99 CO -0.03 0.09 -0.18 0.03 0.02 0.00 0.00 177.57 177.51 3lgg h ARG 100 N -1.01 0.42 0.00 1.57 2.47 -1.04 -3.20 114.38 113.60 3lgg h ARG 100 Ca -0.01 -0.13 -0.17 0.00 -1.26 0.00 0.00 59.98 58.41 3lgg h ARG 100 Cb 0.24 -0.04 -0.03 0.00 -1.65 0.00 0.00 29.97 28.49 3lgg h ARG 100 CO 0.02 0.59 -1.51 -1.71 0.56 0.00 0.00 179.97 177.92 3lgg n ASN 101 N -4.18 1.82 -0.06 7.04 2.85 -0.70 -4.54 115.26 117.49 3lgg n ASN 101 Ca -0.00 0.31 -0.15 0.00 -0.11 0.00 0.00 54.58 54.63 3lgg n ASN 101 Cb 0.34 -0.72 -0.06 0.00 1.24 0.00 0.00 39.78 40.59 3lgg n ASN 101 CO 0.00 0.00 0.00 0.58 -2.11 0.00 0.00 177.26 175.73 3lgg h VAL 102 N -0.90 1.31 0.00 3.44 2.07 -1.19 -2.90 116.25 118.07 3lgg h VAL 102 Ca -0.26 -1.70 0.00 0.00 0.82 0.00 0.00 66.70 65.57 3lgg h VAL 102 Cb 1.17 1.82 0.00 0.00 -1.52 0.00 0.00 31.29 32.76 3lgg h VAL 102 CO -0.16 0.53 0.00 0.74 0.02 0.00 0.00 177.57 178.71 3lgg h THR 103 N 0.42 0.00 -0.02 2.57 2.02 -1.39 -2.30 112.91 114.21 3lgg h THR 103 Ca 0.00 -0.25 0.00 0.00 0.77 0.00 0.00 66.41 66.93 3lgg h THR 103 Cb 1.09 1.01 0.00 0.00 -1.74 0.00 0.00 68.15 68.51 3lgg h THR 103 CO 0.11 0.00 0.00 -1.22 0.37 0.00 0.00 175.52 174.78 3lgg n TYR 104 N -2.45 0.01 -2.85 3.16 4.02 -1.10 -4.84 117.16 113.11 3lgg n TYR 104 Ca 0.01 -0.00 -0.37 0.00 -0.01 0.00 0.00 57.90 57.53 3lgg n TYR 104 Cb 0.21 0.00 -0.06 0.00 -0.02 0.00 0.00 39.34 39.47 3lgg n TYR 104 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 176.86 176.88 3lgg s ARG 105 N -1.99 4.51 0.40 -0.72 0.52 -0.87 -5.00 118.95 115.79 3lgg s ARG 105 Ca 0.36 1.22 -0.24 0.00 -0.52 0.00 0.00 55.73 56.56 3lgg s ARG 105 Cb 0.21 -2.81 -0.12 0.00 0.52 0.00 0.00 34.95 32.74 3lgg s ARG 105 CO 0.33 0.30 0.68 -0.35 0.02 0.00 0.00 175.30 176.28 3lgg n PRO 106 N 0.58 0.76 -1.02 3.54 -0.04 -1.26 -3.17 135.00 134.39 3lgg n PRO 106 Ca 0.01 0.27 -0.01 0.00 -0.04 0.00 0.00 63.50 63.74 3lgg n PRO 106 Cb 0.50 -1.61 -0.00 0.00 -0.04 0.00 0.00 33.50 32.35 3lgg n PRO 106 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 3lgg n HIS 107 N -0.66 0.00 -2.38 0.54 8.25 -1.26 -4.93 115.22 114.78 3lgg n HIS 107 Ca 0.11 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.15 3lgg n HIS 107 Cb 0.38 -0.57 -0.03 0.00 1.12 0.00 0.00 29.99 30.90 3lgg n HIS 107 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3lgg s HIS 109 N 2.54 2.55 0.19 0.00 3.76 0.26 0.14 115.29 124.74 3lgg s HIS 109 Ca 0.58 -0.26 0.09 0.00 -0.15 0.00 0.00 55.06 55.32 3lgg s HIS 109 Cb -0.26 -1.49 -0.04 0.00 1.11 0.00 0.00 32.58 31.90 3lgg s HIS 109 CO 0.22 0.21 -0.11 -1.50 -0.85 0.00 0.00 174.74 172.71 3lgg s ILE 110 N -0.87 3.06 0.24 0.60 2.07 0.10 -1.84 121.20 124.56 3lgg s ILE 110 Ca 0.14 -1.77 -0.19 0.00 -1.41 0.00 0.00 60.65 57.42 3lgg s ILE 110 Cb -0.10 -2.53 0.02 0.00 0.13 0.00 0.00 42.46 39.98 3lgg s ILE 110 CO 0.04 -0.15 0.62 0.00 -1.91 0.00 0.00 174.94 173.54 3lgg s PHE 112 N -3.91 0.68 0.81 0.00 0.08 -1.26 -2.01 117.98 112.36 3lgg s PHE 112 Ca 0.12 -0.18 -0.14 0.00 0.12 0.00 0.00 56.93 56.85 3lgg s PHE 112 Cb -0.03 -0.72 0.04 0.00 -0.57 0.00 0.00 43.02 41.73 3lgg s PHE 112 CO 0.03 -0.27 0.87 2.41 -0.10 0.00 0.00 175.22 178.16 3lgg n THR 113 N 4.66 1.66 -0.33 0.64 -1.04 -0.67 -4.71 114.28 114.50 3lgg n THR 113 Ca -0.15 -0.26 0.30 0.00 -2.04 0.00 0.00 64.05 61.90 3lgg n THR 113 Cb 0.50 -0.97 0.53 0.00 -1.82 0.00 0.00 70.33 68.57 3lgg n THR 113 CO 0.00 0.00 0.00 -2.65 -0.64 0.00 0.00 175.07 171.78 3lgg n PRO 114 N -2.23 -0.04 0.11 -2.82 -0.02 -1.26 0.49 135.00 129.22 3lgg n PRO 114 Ca 0.11 1.10 0.13 0.00 -2.02 0.00 0.00 63.50 62.82 3lgg n PRO 114 Cb 0.51 -2.07 0.41 0.00 -0.02 0.00 0.00 33.50 32.33 3lgg n PRO 114 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 3lgg n ARG 115 N -4.63 0.26 -0.04 -0.52 1.74 -1.26 -4.93 116.66 107.28 3lgg n ARG 115 Ca 0.33 0.23 0.00 0.00 -0.77 0.00 0.00 57.85 57.64 3lgg n ARG 115 Cb 1.20 -1.81 0.00 0.00 -1.02 0.00 0.00 32.46 30.82 3lgg n ARG 115 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3lgg n GLY 116 N 1.24 0.95 3.68 -0.13 0.00 0.18 -5.07 105.19 106.05 3lgg n GLY 116 Ca 0.05 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.65 3lgg n GLY 116 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3lgg s ILE 117 N -2.00 4.33 0.78 -0.61 1.01 -1.26 -4.75 121.20 118.70 3lgg s ILE 117 Ca 0.00 1.64 -0.14 0.00 0.00 0.00 0.00 60.65 62.15 3lgg s ILE 117 Cb 0.00 -4.05 0.07 0.00 0.01 0.00 0.00 42.46 38.48 3lgg s ILE 117 CO 0.00 -0.05 1.22 -0.32 0.00 0.00 0.00 174.94 175.79 3lgg s MET 118 N 2.59 1.82 -0.18 2.79 -2.45 -1.26 -1.66 119.30 120.96 3lgg s MET 118 Ca 0.54 1.79 -0.30 0.00 -1.25 0.00 0.00 55.69 56.47 3lgg s MET 118 Cb -0.23 -1.79 0.13 0.00 1.25 0.00 0.00 34.83 34.19 3lgg s MET 118 CO 0.19 -2.08 1.03 -1.14 1.05 0.00 0.00 175.02 174.07 3lgg s GLN 119 N -4.02 0.54 0.13 4.11 0.74 -0.85 -4.39 119.66 115.91 3lgg s GLN 119 Ca 0.74 0.16 0.05 0.00 0.05 0.00 0.00 55.36 56.36 3lgg s GLN 119 Cb -0.30 0.25 -0.04 0.00 1.10 0.00 0.00 33.01 34.03 3lgg s GLN 119 CO 0.48 -0.16 -0.11 -0.06 -0.55 0.00 0.00 175.29 174.89 3lgg s PHE 120 N -1.02 1.25 -0.29 1.67 0.08 -1.26 -1.31 117.98 117.11 3lgg s PHE 120 Ca -0.00 -0.67 -0.15 0.00 0.12 0.00 0.00 56.93 56.23 3lgg s PHE 120 Cb -0.01 -0.65 0.11 0.00 -0.57 0.00 0.00 43.02 41.90 3lgg s PHE 120 CO 0.00 0.08 0.77 0.50 -0.10 0.00 0.00 175.22 176.48 3lgg s ARG 121 N -3.21 0.57 -0.17 0.44 6.06 -0.77 -4.23 118.95 117.64 3lgg s ARG 121 Ca 0.12 1.10 -0.20 0.00 -2.50 0.00 0.00 55.73 54.25 3lgg s ARG 121 Cb -0.01 0.31 -0.03 0.00 0.06 0.00 0.00 34.95 35.28 3lgg s ARG 121 CO 0.01 -0.14 0.60 -0.06 -2.50 0.00 0.00 175.30 173.21 3lgg s PHE 122 N 1.91 3.41 -0.21 5.12 0.40 -1.26 -0.58 117.98 126.77 3lgg s PHE 122 Ca -0.08 0.93 -0.21 0.00 -0.60 0.00 0.00 56.93 56.97 3lgg s PHE 122 Cb -0.06 -2.75 0.06 0.00 0.51 0.00 0.00 43.02 40.78 3lgg s PHE 122 CO -0.18 -0.09 0.60 0.00 0.70 0.00 0.00 175.22 176.24 3lgg s ALA 123 N 1.59 -1.49 -0.13 5.36 0.00 -0.87 -4.70 121.76 121.53 3lgg s ALA 123 Ca 0.29 1.66 -0.04 0.00 0.00 0.00 0.00 51.96 53.86 3lgg s ALA 123 Cb -0.16 -0.92 0.06 0.00 0.00 0.00 0.00 23.12 22.10 3lgg s ALA 123 CO 0.11 -0.29 0.21 -1.58 0.00 0.00 0.00 175.76 174.22 3lgg s HIS 124 N 0.22 -0.30 0.90 0.00 2.46 -1.22 -4.23 115.29 113.12 3lgg s HIS 124 Ca -0.01 0.67 -0.13 0.00 0.47 0.00 0.00 55.06 56.06 3lgg s HIS 124 Cb -0.04 -0.20 0.14 0.00 -0.13 0.00 0.00 32.58 32.35 3lgg s HIS 124 CO 0.01 -0.38 1.19 -1.25 -2.47 0.00 0.00 174.74 171.84 3lgg s PRO 125 N 2.35 1.23 -0.25 2.88 0.04 -1.26 -4.52 135.00 135.46 3lgg s PRO 125 Ca 0.03 0.06 -0.40 0.00 0.04 0.00 0.00 61.00 60.74 3lgg s PRO 125 Cb -0.13 -1.87 -0.15 0.00 0.04 0.00 0.00 34.50 32.39 3lgg s PRO 125 CO -0.08 -2.09 1.73 2.41 0.04 0.00 0.00 177.00 179.01 3lgg n THR 126 N -3.65 0.31 -1.32 1.26 -1.04 -1.26 -4.91 114.28 103.67 3lgg n THR 126 Ca 0.09 -0.05 -0.31 0.00 -2.04 0.00 0.00 64.05 61.73 3lgg n THR 126 Cb 0.60 -1.24 0.09 0.00 -1.82 0.00 0.00 70.33 67.96 3lgg n THR 126 CO 0.00 0.00 0.00 -2.16 -0.64 0.00 0.00 175.07 172.27 3lgg s PRO 127 N 3.43 2.29 0.30 -2.82 0.04 -1.26 -4.98 135.00 132.00 3lgg s PRO 127 Ca 0.98 1.22 -0.29 0.00 0.04 0.00 0.00 61.00 62.95 3lgg s PRO 127 Cb -1.05 -1.90 -0.10 0.00 0.04 0.00 0.00 34.50 31.50 3lgg s PRO 127 CO 0.64 -1.62 1.13 1.03 0.04 0.00 0.00 177.00 178.22 3lgg s ARG 128 N -4.76 4.55 0.14 4.56 0.52 -1.26 -4.72 118.95 117.99 3lgg s ARG 128 Ca 0.62 1.85 -0.35 0.00 -0.52 0.00 0.00 55.73 57.34 3lgg s ARG 128 Cb -0.18 -3.12 -0.14 0.00 0.52 0.00 0.00 34.95 32.03 3lgg s ARG 128 CO 0.54 0.12 1.53 -2.30 0.02 0.00 0.00 175.30 175.20 3lgg n PRO 129 N 1.02 1.93 -0.05 3.54 -0.02 -1.26 -4.97 135.00 135.20 3lgg n PRO 129 Ca -0.00 0.70 0.00 0.00 -2.02 0.00 0.00 63.50 62.17 3lgg n PRO 129 Cb 0.45 -2.44 0.00 0.00 -0.02 0.00 0.00 33.50 31.49 3lgg n PRO 129 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 3lgg n SER 130 N 3.28 1.43 -0.05 2.55 3.41 -0.05 -4.99 113.62 119.20 3lgg n SER 130 Ca 0.17 -0.03 -0.13 0.00 -0.26 0.00 0.00 58.87 58.62 3lgg n SER 130 Cb 0.27 0.00 -0.07 0.00 -0.26 0.00 0.00 64.21 64.14 3lgg n SER 130 CO 0.00 0.00 0.00 -0.08 -0.16 0.00 0.00 175.04 174.80 3lgg h GLU 131 N 0.00 0.38 -0.00 4.33 4.57 -2.01 -3.29 114.58 118.56 3lgg h GLU 131 Ca 0.00 -0.21 0.00 0.00 -1.18 0.00 0.00 59.36 57.97 3lgg h GLU 131 Cb 0.00 0.01 0.00 0.00 -0.16 0.00 0.00 28.75 28.60 3lgg h GLU 131 CO 0.00 0.78 -0.14 1.63 -1.18 0.00 0.00 179.01 180.10 3lgg n LYS 132 N -4.52 0.26 -3.52 1.92 4.76 -1.26 -4.70 118.16 111.10 3lgg n LYS 132 Ca -0.06 -0.07 -0.12 0.00 -2.87 0.00 0.00 58.31 55.19 3lgg n LYS 132 Cb 0.39 -1.50 -0.11 0.00 -1.84 0.00 0.00 35.03 31.97 3lgg n LYS 132 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3lgg n SER 134 N 5.36 0.52 -3.31 0.00 3.41 -1.26 -0.87 113.62 117.46 3lgg n SER 134 Ca -0.06 0.30 0.03 0.00 -0.26 0.00 0.00 58.87 58.88 3lgg n SER 134 Cb 0.50 -0.30 -0.03 0.00 -0.26 0.00 0.00 64.21 64.12 3lgg n SER 134 CO 0.00 0.00 0.00 -0.75 -0.16 0.00 0.00 175.04 174.13 3lgg s LYS 135 N -3.07 0.34 0.01 4.33 2.47 -1.26 -4.73 119.74 117.83 3lgg s LYS 135 Ca 0.10 0.74 -0.30 0.00 -1.56 0.00 0.00 55.97 54.96 3lgg s LYS 135 Cb 0.15 0.43 -0.03 0.00 -1.46 0.00 0.00 37.83 36.92 3lgg s LYS 135 CO 0.63 -0.23 0.96 -1.58 0.16 0.00 0.00 175.35 175.29 3lgg s TRP 136 N 2.71 3.67 -0.12 4.03 0.52 -1.26 -4.75 118.94 123.73 3lgg s TRP 136 Ca 0.02 1.68 0.03 0.00 0.02 0.00 0.00 56.10 57.85 3lgg s TRP 136 Cb -0.09 -3.10 0.01 0.00 -1.15 0.00 0.00 33.47 29.14 3lgg s TRP 136 CO -0.16 0.02 -0.22 0.42 0.02 0.00 0.00 176.95 177.03 3lgg s ILE 137 N 0.91 1.97 0.30 2.03 1.09 -0.77 -4.96 121.20 121.77 3lgg s ILE 137 Ca 0.51 -0.94 -0.30 0.00 -1.10 0.00 0.00 60.65 58.82 3lgg s ILE 137 Cb -0.21 -1.74 -0.12 0.00 -1.06 0.00 0.00 42.46 39.33 3lgg s ILE 137 CO 0.28 0.54 1.45 -0.11 -0.10 0.00 0.00 174.94 176.99 3lgg n LEU 138 N 3.92 3.84 -0.21 2.97 7.94 -1.26 0.02 117.00 134.22 3lgg n LEU 138 Ca -0.20 1.17 -0.08 0.00 -1.11 0.00 0.00 56.01 55.80 3lgg n LEU 138 Cb 0.52 -1.52 0.05 0.00 0.53 0.00 0.00 43.42 43.00 3lgg n LEU 138 CO 0.27 -0.20 0.86 -0.07 -1.11 0.00 0.00 177.39 177.13 3lgg h LEU 139 N 3.77 1.02 -2.04 -1.96 -0.00 -0.64 -2.61 115.31 112.84 3lgg h LEU 139 Ca -0.47 -0.27 -0.01 0.00 -0.00 0.00 0.00 57.88 57.13 3lgg h LEU 139 Cb 1.26 -0.27 -0.00 0.00 -0.00 0.00 0.00 40.66 41.64 3lgg h LEU 139 CO 0.72 1.05 -0.03 -0.33 -0.00 0.00 0.00 178.44 179.85 3lgg h GLU 140 N 0.97 0.00 0.35 1.13 5.08 -1.88 0.96 114.58 121.18 3lgg h GLU 140 Ca 0.18 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.52 3lgg h GLU 140 Cb 0.51 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.76 3lgg h GLU 140 CO 0.02 0.03 -0.17 -0.44 -1.00 0.00 0.00 179.01 177.46 3lgg h ASP 141 N 0.00 -0.40 -0.94 1.42 3.32 -1.90 -3.29 116.42 114.63 3lgg h ASP 141 Ca -0.00 0.01 0.22 0.00 0.02 0.00 0.00 57.03 57.28 3lgg h ASP 141 Cb 0.07 0.10 -0.17 0.00 0.22 0.00 0.00 39.33 39.55 3lgg h ASP 141 CO 0.00 -0.11 -0.09 0.22 -1.72 0.00 0.00 179.24 177.54 3lgg h TYR 142 N -0.83 -0.25 0.00 4.55 3.20 -1.06 0.31 116.97 122.90 3lgg h TYR 142 Ca -0.05 0.08 -0.00 0.00 3.14 0.00 0.00 58.73 61.89 3lgg h TYR 142 Cb 0.36 0.26 -0.00 0.00 1.54 0.00 0.00 36.73 38.89 3lgg h TYR 142 CO 0.03 -0.39 -0.02 0.00 -1.64 0.00 0.00 178.16 176.14 3lgg h ARG 143 N 0.02 0.00 0.07 1.82 3.08 -0.95 -1.50 114.38 116.92 3lgg h ARG 143 Ca 0.51 0.00 -0.30 0.00 0.07 0.00 0.00 59.98 60.26 3lgg h ARG 143 Cb 0.92 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.95 3lgg h ARG 143 CO -0.91 0.02 -1.56 0.87 -1.07 0.00 0.00 179.97 177.31 3lgg h LYS 144 N 0.00 0.15 -0.99 0.04 1.57 -1.02 -3.37 116.57 112.96 3lgg h LYS 144 Ca -0.00 -0.26 -0.01 0.00 -1.87 0.00 0.00 60.65 58.50 3lgg h LYS 144 Cb 0.25 0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.65 3lgg h LYS 144 CO 0.00 0.95 0.02 0.54 -0.57 0.00 0.00 179.45 180.39 3lgg n ARG 145 N -3.34 1.15 -4.24 3.15 1.74 -0.57 -4.82 116.66 109.74 3lgg n ARG 145 Ca -0.16 -0.17 -0.18 0.00 -0.77 0.00 0.00 57.85 56.57 3lgg n ARG 145 Cb 1.03 -1.33 -0.11 0.00 -1.02 0.00 0.00 32.46 31.03 3lgg n ARG 145 CO 0.00 0.00 0.00 0.14 -1.52 0.00 0.00 177.63 176.25 3lgg s VAL 146 N -0.69 1.31 -0.08 1.55 -7.23 -1.21 -5.03 120.40 109.01 3lgg s VAL 146 Ca 0.03 -1.73 -0.15 0.00 -1.81 0.00 0.00 61.98 58.32 3lgg s VAL 146 Cb 0.03 -1.54 -0.12 0.00 0.56 0.00 0.00 36.38 35.31 3lgg s VAL 146 CO 0.01 -0.44 0.56 -0.61 -0.31 0.00 0.00 175.10 174.31 3lgg h GLN 147 N 3.48 -0.16 -4.64 4.82 5.75 -1.93 -3.42 115.11 119.02 3lgg h GLN 147 Ca -0.40 0.01 -0.70 0.00 -0.15 0.00 0.00 58.65 57.42 3lgg h GLN 147 Cb 1.20 0.04 -0.30 0.00 1.07 0.00 0.00 27.48 29.48 3lgg h GLN 147 CO 0.51 0.20 -0.60 1.21 -2.65 0.00 0.00 178.83 177.51 3lgg s ASN 148 N -5.54 5.29 0.13 -0.69 3.84 -1.26 -4.98 114.94 111.72 3lgg s ASN 148 Ca -0.09 -1.31 -0.08 0.00 0.21 0.00 0.00 52.86 51.58 3lgg s ASN 148 Cb -0.00 -1.86 -0.08 0.00 -0.55 0.00 0.00 41.25 38.76 3lgg s ASN 148 CO 0.34 -0.37 1.34 1.62 -2.79 0.00 0.00 177.10 177.24 3lgg h VAL 149 N 6.23 1.32 0.00 -5.21 3.04 -1.88 -1.51 116.25 118.24 3lgg h VAL 149 Ca -0.22 -2.09 0.00 0.00 -1.01 0.00 0.00 66.70 63.39 3lgg h VAL 149 Cb 1.07 2.09 0.00 0.00 -2.01 0.00 0.00 31.29 32.45 3lgg h VAL 149 CO 0.62 0.65 0.00 0.35 -1.01 0.00 0.00 177.57 178.18 3lgg n THR 150 N -3.88 0.15 0.07 3.17 -2.24 -1.26 -0.32 114.28 109.97 3lgg n THR 150 Ca -0.07 0.04 -0.23 0.00 -2.27 0.00 0.00 64.05 61.52 3lgg n THR 150 Cb 0.75 -0.57 -0.15 0.00 -2.10 0.00 0.00 70.33 68.26 3lgg n THR 150 CO 0.00 0.00 0.00 -0.08 -0.57 0.00 0.00 175.07 174.42 3lgg h GLU 151 N 0.00 0.39 -0.82 -0.78 4.57 -1.95 -2.98 114.58 113.02 3lgg h GLU 151 Ca 0.00 -0.67 -0.02 0.00 -1.18 0.00 0.00 59.36 57.49 3lgg h GLU 151 Cb 0.45 0.25 -0.04 0.00 -0.16 0.00 0.00 28.75 29.25 3lgg h GLU 151 CO 0.00 1.32 0.42 0.35 -1.18 0.00 0.00 179.01 179.91 3lgg h PHE 152 N -0.02 1.16 -0.38 0.92 3.57 -0.80 -1.73 116.94 119.65 3lgg h PHE 152 Ca -0.30 -0.05 -0.05 0.00 3.53 0.00 0.00 57.97 61.11 3lgg h PHE 152 Cb 2.00 -0.36 -0.01 0.00 2.79 0.00 0.00 35.95 40.36 3lgg h PHE 152 CO 0.12 0.83 0.05 -0.44 -2.23 0.00 0.00 178.31 176.64 3lgg h ASP 153 N 1.15 0.62 -0.33 0.41 3.32 -0.80 -2.71 116.42 118.09 3lgg h ASP 153 Ca 0.28 -0.27 -0.01 0.00 0.02 0.00 0.00 57.03 57.05 3lgg h ASP 153 Cb 0.09 -0.17 -0.02 0.00 0.22 0.00 0.00 39.33 39.45 3lgg h ASP 153 CO -0.04 0.74 0.16 0.44 -1.72 0.00 0.00 179.24 178.82 3lgg h ASP 154 N 0.48 0.46 0.77 6.45 3.32 -1.35 -1.52 116.42 125.03 3lgg h ASP 154 Ca 0.11 -0.04 -0.05 0.00 0.02 0.00 0.00 57.03 57.07 3lgg h ASP 154 Cb 0.39 -0.12 -0.01 0.00 0.22 0.00 0.00 39.33 39.82 3lgg h ASP 154 CO 0.01 0.40 -0.26 0.77 -1.72 0.00 0.00 179.24 178.45 3lgg h SER 155 N 0.51 0.00 -0.09 6.45 4.64 -1.13 -0.62 113.55 123.31 3lgg h SER 155 Ca 0.13 0.00 -0.18 0.00 -0.47 0.00 0.00 61.79 61.26 3lgg h SER 155 Cb 0.08 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.18 3lgg h SER 155 CO -0.02 0.26 -0.67 -0.07 -0.87 0.00 0.00 176.83 175.46 3lgg h LEU 156 N 0.00 0.74 -1.17 5.97 3.38 -0.99 -3.03 115.31 120.20 3lgg h LEU 156 Ca -0.00 -0.67 -0.04 0.00 0.09 0.00 0.00 57.88 57.26 3lgg h LEU 156 Cb 0.71 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 41.22 3lgg h LEU 156 CO 0.03 1.30 0.14 -0.07 0.09 0.00 0.00 178.44 179.93 3lgg h LEU 157 N 0.24 0.66 -1.23 1.67 3.38 -0.92 -2.27 115.31 116.84 3lgg h LEU 157 Ca -0.06 -0.10 0.00 0.00 0.09 0.00 0.00 57.88 57.81 3lgg h LEU 157 Cb 1.32 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 41.90 3lgg h LEU 157 CO 0.14 0.64 0.00 0.03 0.09 0.00 0.00 178.44 179.34 3lgg h ARG 158 N 0.70 0.00 0.00 1.13 3.08 -1.18 -2.77 114.38 115.35 3lgg h ARG 158 Ca 0.16 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.21 3lgg h ARG 158 Cb 0.23 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.28 3lgg h ARG 158 CO -0.01 0.00 -0.69 -1.71 -1.07 0.00 0.00 179.97 176.49 3lgg n ASN 159 N -3.06 0.61 -0.18 7.04 2.85 -0.89 -4.18 115.26 117.46 3lgg n ASN 159 Ca 0.01 -0.29 0.11 0.00 -0.11 0.00 0.00 54.58 54.30 3lgg n ASN 159 Cb 0.33 0.45 0.08 0.00 1.24 0.00 0.00 39.78 41.89 3lgg n ASN 159 CO 0.00 0.00 0.00 0.49 -2.11 0.00 0.00 177.26 175.64 3lgg n PHE 160 N -1.67 0.00 -4.29 1.20 3.01 -1.02 -4.77 117.46 109.92 3lgg n PHE 160 Ca 0.04 0.00 -0.15 0.00 1.01 0.00 0.00 57.45 58.35 3lgg n PHE 160 Cb 0.37 -0.08 -0.10 0.00 -0.01 0.00 0.00 39.48 39.66 3lgg n PHE 160 CO 0.00 0.00 0.00 0.95 1.01 0.00 0.00 176.76 178.72 3lgg s THR 161 N -2.77 0.48 -0.48 4.37 -4.23 -1.22 -4.79 115.64 107.00 3lgg s THR 161 Ca 0.14 -2.00 0.23 0.00 -1.18 0.00 0.00 61.69 58.89 3lgg s THR 161 Cb 0.17 -2.56 0.05 0.00 1.34 0.00 0.00 72.50 71.51 3lgg s THR 161 CO 0.69 -0.05 1.24 -0.07 -0.54 0.00 0.00 174.62 175.89 3lgg h LEU 162 N 2.45 0.00 -9.26 4.79 3.38 -1.55 -3.47 115.31 111.65 3lgg h LEU 162 Ca -0.38 -0.12 -0.68 0.00 0.09 0.00 0.00 57.88 56.79 3lgg h LEU 162 Cb 1.24 0.00 0.06 0.00 0.09 0.00 0.00 40.66 42.05 3lgg h LEU 162 CO 0.60 0.06 0.37 0.52 0.09 0.00 0.00 178.44 180.08 3lgg n VAL 163 N -2.38 0.24 -3.50 1.22 0.31 -1.25 -4.96 118.33 107.99 3lgg n VAL 163 Ca 0.02 -0.06 -0.11 0.00 -0.01 0.00 0.00 64.34 64.18 3lgg n VAL 163 Cb 0.49 -0.75 -0.03 0.00 -0.91 0.00 0.00 33.84 32.63 3lgg n VAL 163 CO 0.00 0.00 0.00 0.28 -1.32 0.00 0.00 176.83 175.79 3lgg s THR 164 N 0.27 0.00 0.56 2.52 -1.32 -1.26 -5.02 115.64 111.39 3lgg s THR 164 Ca 0.82 0.00 -0.18 0.00 -1.21 0.00 0.00 61.69 61.12 3lgg s THR 164 Cb -0.95 -1.00 -0.05 0.00 -1.51 0.00 0.00 72.50 68.99 3lgg s THR 164 CO 0.49 0.00 1.07 -1.10 -2.21 0.00 0.00 174.62 172.87 3lgg s GLN 165 N -2.55 3.39 -1.21 7.08 -0.21 -1.26 -4.24 119.66 120.67 3lgg s GLN 165 Ca 0.00 1.35 -0.18 0.00 0.02 0.00 0.00 55.36 56.55 3lgg s GLN 165 Cb -0.01 -2.03 0.00 0.00 1.00 0.00 0.00 33.01 31.97 3lgg s GLN 165 CO -0.05 -0.77 0.69 0.72 -2.12 0.00 0.00 175.29 173.76 3lgg n HIS 166 N -1.64 -1.76 0.30 0.91 8.25 -1.26 -4.83 115.22 115.19 3lgg n HIS 166 Ca 0.10 0.46 0.18 0.00 -0.26 0.00 0.00 57.72 58.20 3lgg n HIS 166 Cb 0.52 -3.40 0.93 0.00 1.12 0.00 0.00 29.99 29.16 3lgg n HIS 166 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 3lgg h PRO 167 N -2.00 0.00 0.00 -0.41 0.13 -1.97 -1.95 132.00 125.80 3lgg h PRO 167 Ca -0.67 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 64.41 3lgg h PRO 167 Cb 1.37 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.49 3lgg h PRO 167 CO 0.52 0.04 -0.28 1.05 -0.23 0.00 0.00 178.00 179.09 3lgg h GLU 168 N 0.00 0.00 0.10 0.86 9.09 -1.89 -0.83 114.58 121.92 3lgg h GLU 168 Ca -0.00 0.00 -0.35 0.00 0.05 0.00 0.00 59.36 59.06 3lgg h GLU 168 Cb 0.21 0.00 -0.02 0.00 -1.65 0.00 0.00 28.75 27.29 3lgg h GLU 168 CO 0.00 0.28 -1.93 0.28 0.05 0.00 0.00 179.01 177.69 3lgg n VAL 169 N -3.92 1.74 -0.04 -1.06 0.31 -0.79 -4.38 118.33 110.20 3lgg n VAL 169 Ca -0.02 -0.57 -0.12 0.00 -0.01 0.00 0.00 64.34 63.63 3lgg n VAL 169 Cb 0.36 -1.76 -0.07 0.00 -0.91 0.00 0.00 33.84 31.45 3lgg n VAL 169 CO 0.00 0.00 0.00 0.40 -1.32 0.00 0.00 176.83 175.91 3lgg h ILE 170 N -0.09 1.27 -3.53 2.52 1.08 -1.38 -3.37 117.51 114.01 3lgg h ILE 170 Ca -0.43 -0.88 -0.74 0.00 -0.39 0.00 0.00 64.86 62.42 3lgg h ILE 170 Cb 1.93 1.64 -0.32 0.00 -3.07 0.00 0.00 36.82 36.99 3lgg h ILE 170 CO 0.03 0.25 0.00 -0.31 -0.69 0.00 0.00 178.15 177.44 3lgg s TYR 171 N -4.85 3.84 0.36 1.37 2.02 -0.32 -4.91 117.35 114.85 3lgg s TYR 171 Ca -0.14 -2.67 0.09 0.00 -0.37 0.00 0.00 57.07 53.97 3lgg s TYR 171 Cb 0.05 -3.48 0.68 0.00 -0.40 0.00 0.00 41.96 38.81 3lgg s TYR 171 CO 0.71 -0.86 1.85 1.79 -1.57 0.00 0.00 175.55 177.47 3lgg h THR 172 N 4.40 1.22 -4.35 -0.71 1.35 -1.76 -3.43 112.91 109.62 3lgg h THR 172 Ca 0.11 -1.01 -0.36 0.00 -0.55 0.00 0.00 66.41 64.61 3lgg h THR 172 Cb 0.90 1.35 -0.09 0.00 -1.73 0.00 0.00 68.15 68.58 3lgg h THR 172 CO 0.83 0.31 -0.27 -0.46 -0.25 0.00 0.00 175.52 175.69 3lgg n ASN 173 N -4.20 -1.14 0.16 5.36 0.23 -1.26 -5.06 115.26 109.36 3lgg n ASN 173 Ca -0.01 -3.03 0.01 0.00 -0.53 0.00 0.00 54.58 51.02 3lgg n ASN 173 Cb 0.33 2.26 0.28 0.00 -2.08 0.00 0.00 39.78 40.56 3lgg n ASN 173 CO 0.00 0.00 0.00 1.56 -0.93 0.00 0.00 177.26 177.89 3lgg h GLN 174 N 0.00 0.01 -0.27 -3.83 4.20 -1.89 -2.58 115.11 110.75 3lgg h GLN 174 Ca -0.26 -0.01 -0.17 0.00 0.06 0.00 0.00 58.65 58.27 3lgg h GLN 174 Cb 1.21 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.98 3lgg h GLN 174 CO 0.36 0.48 -0.50 -0.91 -0.67 0.00 0.00 178.83 177.59 3lgg h ASN 175 N 0.01 0.85 -0.27 1.46 2.35 -1.97 -1.83 115.58 116.17 3lgg h ASN 175 Ca -0.00 -0.43 -0.02 0.00 -0.55 0.00 0.00 56.30 55.29 3lgg h ASN 175 Cb 0.84 -0.24 -0.01 0.00 0.05 0.00 0.00 38.32 38.96 3lgg h ASN 175 CO 0.06 1.20 0.08 0.58 -1.65 0.00 0.00 177.43 177.70 3lgg h VAL 176 N 0.60 1.20 -0.76 2.81 2.07 -1.92 -0.15 116.25 120.11 3lgg h VAL 176 Ca 0.02 -0.66 -0.05 0.00 0.82 0.00 0.00 66.70 66.84 3lgg h VAL 176 Cb 1.08 1.13 -0.03 0.00 -1.52 0.00 0.00 31.29 31.95 3lgg h VAL 176 CO 0.11 0.22 0.29 1.62 0.02 0.00 0.00 177.57 179.83 3lgg h VAL 177 N 0.27 1.25 -0.16 2.57 3.04 -1.47 -1.91 116.25 119.84 3lgg h VAL 177 Ca 0.09 -0.81 -0.12 0.00 -1.01 0.00 0.00 66.70 64.84 3lgg h VAL 177 Cb 0.26 0.36 -0.01 0.00 -2.01 0.00 0.00 31.29 29.89 3lgg h VAL 177 CO -0.00 0.33 -0.44 -0.50 -1.01 0.00 0.00 177.57 175.95 3lgg h TRP 178 N 1.10 0.45 0.13 3.17 4.06 -1.19 0.08 115.95 123.76 3lgg h TRP 178 Ca 0.25 -0.13 -0.00 0.00 2.06 0.00 0.00 58.89 61.07 3lgg h TRP 178 Cb 0.22 -0.10 -0.00 0.00 -1.00 0.00 0.00 29.16 28.28 3lgg h TRP 178 CO 0.02 0.75 -0.07 1.03 -3.56 0.00 0.00 178.44 176.61 3lgg h SER 179 N 0.31 -0.18 -0.43 -3.49 0.87 -0.68 -1.33 113.55 108.62 3lgg h SER 179 Ca 0.02 0.01 -0.02 0.00 -1.23 0.00 0.00 61.79 60.57 3lgg h SER 179 Cb 0.90 0.05 -0.02 0.00 -0.44 0.00 0.00 62.40 62.89 3lgg h SER 179 CO 0.07 -0.12 0.18 0.11 -0.53 0.00 0.00 176.83 176.54 3lgg h LYS 180 N -0.19 0.65 -0.17 2.24 1.79 -1.25 -2.10 116.57 117.54 3lgg h LYS 180 Ca -0.01 -0.11 0.03 0.00 -2.18 0.00 0.00 60.65 58.38 3lgg h LYS 180 Cb 0.16 -0.11 -0.07 0.00 -1.58 0.00 0.00 32.23 30.63 3lgg h LYS 180 CO 0.02 0.59 -0.53 0.35 -1.08 0.00 0.00 179.45 178.80 3lgg h PHE 181 N 0.56 -1.56 -0.44 -1.35 3.57 -0.87 -1.34 116.94 115.50 3lgg h PHE 181 Ca 0.15 0.06 -0.05 0.00 3.53 0.00 0.00 57.97 61.66 3lgg h PHE 181 Cb 0.18 0.70 -0.02 0.00 2.79 0.00 0.00 35.95 39.61 3lgg h PHE 181 CO -0.00 -0.53 0.08 1.49 -2.23 0.00 0.00 178.31 177.11 3lgg h GLU 182 N -0.55 0.67 -0.85 1.11 4.57 -1.23 -2.30 114.58 116.00 3lgg h GLU 182 Ca 0.05 -0.13 -0.00 0.00 -1.18 0.00 0.00 59.36 58.09 3lgg h GLU 182 Cb 0.67 -0.10 -0.04 0.00 -0.16 0.00 0.00 28.75 29.11 3lgg h GLU 182 CO -0.45 0.64 0.52 1.15 -1.18 0.00 0.00 179.01 179.68 3lgg h THR 183 N 0.65 1.23 -0.10 0.32 2.02 -0.97 -1.76 112.91 114.29 3lgg h THR 183 Ca 0.14 -0.49 0.01 0.00 0.77 0.00 0.00 66.41 66.85 3lgg h THR 183 Cb 0.29 0.03 -0.01 0.00 -1.74 0.00 0.00 68.15 66.72 3lgg h THR 183 CO 0.00 0.24 0.02 0.40 0.37 0.00 0.00 175.52 176.55 3lgg h ILE 184 N 1.16 0.95 -0.50 3.11 2.04 -0.68 -0.59 117.51 123.00 3lgg h ILE 184 Ca 0.30 -0.02 0.09 0.00 1.00 0.00 0.00 64.86 66.23 3lgg h ILE 184 Cb -0.06 0.89 -0.07 0.00 -0.74 0.00 0.00 36.82 36.83 3lgg h ILE 184 CO -0.06 0.01 0.10 -0.26 0.00 0.00 0.00 178.15 177.94 3lgg h PHE 185 N 0.06 0.16 -0.46 1.37 0.04 -1.30 -1.51 116.94 115.31 3lgg h PHE 185 Ca 0.05 0.03 0.03 0.00 2.80 0.00 0.00 57.97 60.88 3lgg h PHE 185 Cb 0.04 0.00 -0.04 0.00 2.20 0.00 0.00 35.95 38.16 3lgg h PHE 185 CO -0.12 -0.00 0.24 0.35 -0.60 0.00 0.00 178.31 178.18 3lgg h PHE 186 N 0.24 0.45 0.34 -0.55 3.04 -1.10 -2.25 116.94 117.11 3lgg h PHE 186 Ca 0.25 0.02 -0.02 0.00 3.98 0.00 0.00 57.97 62.20 3lgg h PHE 186 Cb 0.34 -0.14 0.00 0.00 2.56 0.00 0.00 35.95 38.72 3lgg h PHE 186 CO -0.23 0.24 -0.16 1.15 -2.02 0.00 0.00 178.31 177.29 3lgg h THR 187 N 0.48 0.68 0.00 4.41 2.02 -0.55 -3.16 112.91 116.80 3lgg h THR 187 Ca 0.19 -0.25 0.00 0.00 0.77 0.00 0.00 66.41 67.12 3lgg h THR 187 Cb 0.08 0.82 0.00 0.00 -1.74 0.00 0.00 68.15 67.31 3lgg h THR 187 CO -0.12 0.05 0.00 2.30 0.37 0.00 0.00 175.52 178.12 3lgg n ILE 188 N -5.23 0.30 0.00 3.11 -5.35 -0.62 -3.89 119.36 107.68 3lgg n ILE 188 Ca -0.10 0.08 -0.10 0.00 -0.27 0.00 0.00 62.75 62.35 3lgg n ILE 188 Cb 0.23 -0.66 -0.05 0.00 -1.74 0.00 0.00 39.64 37.43 3lgg n ILE 188 CO 0.00 0.00 0.00 -1.28 -1.76 0.00 0.00 176.55 173.51 3lgg h SER 189 N 0.00 -0.09 -0.16 7.28 0.87 -1.36 -2.42 113.55 117.67 3lgg h SER 189 Ca 0.00 0.03 0.02 0.00 -1.23 0.00 0.00 61.79 60.61 3lgg h SER 189 Cb 0.38 0.06 -0.01 0.00 -0.44 0.00 0.00 62.40 62.39 3lgg h SER 189 CO 0.00 -0.03 0.11 1.23 -0.53 0.00 0.00 176.83 177.61 3lgg h GLY 190 N 0.00 0.14 0.65 5.77 0.00 -1.74 -2.01 103.07 105.89 3lgg h GLY 190 Ca 0.04 -0.05 -0.04 0.00 0.00 0.00 0.00 47.33 47.29 3lgg h GLY 190 CO -0.10 0.05 -0.09 1.41 0.00 0.00 0.00 176.54 177.81 3lgg h LEU 191 N 0.13 0.23 -0.18 3.11 3.38 -1.67 -3.36 115.31 116.94 3lgg h LEU 191 Ca 0.07 -0.49 -0.11 0.00 0.09 0.00 0.00 57.88 57.44 3lgg h LEU 191 Cb 0.11 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 40.78 3lgg h LEU 191 CO -0.01 0.67 -0.52 0.40 0.09 0.00 0.00 178.44 179.07 3lgg h ILE 192 N -0.21 0.93 -0.19 1.22 2.04 -1.01 -3.30 117.51 116.99 3lgg h ILE 192 Ca 0.01 -2.18 0.00 0.00 1.00 0.00 0.00 64.86 63.69 3lgg h ILE 192 Cb 0.60 2.37 0.00 0.00 -0.74 0.00 0.00 36.82 39.05 3lgg h ILE 192 CO 0.02 0.51 0.00 1.41 0.00 0.00 0.00 178.15 180.09 3lgg n HIS 193 N -3.29 0.24 -2.55 1.37 8.25 -0.79 -2.69 115.22 115.76 3lgg n HIS 193 Ca 0.01 -0.12 -0.42 0.00 -0.26 0.00 0.00 57.72 56.93 3lgg n HIS 193 Cb 0.71 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.79 3lgg n HIS 193 CO 0.00 0.00 0.00 -0.47 0.64 0.00 0.00 176.34 176.51 3lgg s TYR 194 N -1.76 3.37 0.20 4.41 5.04 -1.24 -0.60 117.35 126.76 3lgg s TYR 194 Ca 0.33 1.39 -0.18 0.00 -2.44 0.00 0.00 57.07 56.16 3lgg s TYR 194 Cb 0.18 -3.32 0.17 0.00 0.35 0.00 0.00 41.96 39.34 3lgg s TYR 194 CO 0.27 -0.86 1.60 0.00 -1.34 0.00 0.00 175.55 175.22 3lgg h ALA 195 N 7.19 0.12 0.00 3.97 0.00 -1.30 0.10 119.26 129.34 3lgg h ALA 195 Ca -0.35 0.20 -0.02 0.00 0.00 0.00 0.00 54.91 54.74 3lgg h ALA 195 Cb 1.17 0.69 -0.00 0.00 0.00 0.00 0.00 17.79 19.65 3lgg h ALA 195 CO 0.85 -0.59 -0.09 -1.00 0.00 0.00 0.00 179.25 178.42 3lgg h PRO 196 N -0.11 0.00 -0.13 0.00 0.13 -1.93 -2.47 132.00 127.49 3lgg h PRO 196 Ca 0.26 0.00 -0.15 0.00 -0.87 0.00 0.00 66.00 65.24 3lgg h PRO 196 Cb 0.53 0.00 0.01 0.00 0.13 0.00 0.00 31.00 31.67 3lgg h PRO 196 CO -0.68 0.09 -0.50 0.28 -0.23 0.00 0.00 178.00 176.96 3lgg h VAL 197 N 0.00 1.35 -0.39 1.56 2.07 -1.41 -2.87 116.25 116.55 3lgg h VAL 197 Ca -0.00 -1.79 0.08 0.00 0.82 0.00 0.00 66.70 65.81 3lgg h VAL 197 Cb 0.71 2.10 -0.08 0.00 -1.52 0.00 0.00 31.29 32.50 3lgg h VAL 197 CO 0.01 0.54 -0.17 0.15 0.02 0.00 0.00 177.57 178.12 3lgg h PHE 198 N 0.19 -0.42 -0.09 1.57 3.57 -0.78 0.81 116.94 121.79 3lgg h PHE 198 Ca -0.03 0.04 0.02 0.00 3.53 0.00 0.00 57.97 61.54 3lgg h PHE 198 Cb 1.13 0.25 -0.02 0.00 2.79 0.00 0.00 35.95 40.10 3lgg h PHE 198 CO 0.11 -0.25 -0.03 0.00 -2.23 0.00 0.00 178.31 175.90 3lgg h ARG 199 N -0.10 -0.02 -0.87 1.11 3.08 -1.54 -1.61 114.38 114.44 3lgg h ARG 199 Ca 0.19 0.00 0.01 0.00 0.07 0.00 0.00 59.98 60.25 3lgg h ARG 199 Cb 0.39 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.40 3lgg h ARG 199 CO -0.46 -0.01 0.56 -0.44 -1.07 0.00 0.00 179.97 178.56 3lgg h ASP 200 N -0.02 1.01 0.25 7.04 3.32 -1.11 -2.00 116.42 124.92 3lgg h ASP 200 Ca 0.05 -0.04 -0.00 0.00 0.02 0.00 0.00 57.03 57.06 3lgg h ASP 200 Cb 0.09 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.37 3lgg h ASP 200 CO -0.10 0.75 -0.20 0.22 -1.72 0.00 0.00 179.24 178.18 3lgg h TYR 201 N 1.19 -0.53 -0.16 4.55 5.03 0.84 0.47 116.97 128.35 3lgg h TYR 201 Ca 0.32 0.00 0.04 0.00 2.58 0.00 0.00 58.73 61.67 3lgg h TYR 201 Cb -0.11 0.20 -0.04 0.00 1.55 0.00 0.00 36.73 38.33 3lgg h TYR 201 CO -0.01 -0.31 -0.10 0.28 -1.32 0.00 0.00 178.16 176.70 3lgg h VAL 202 N -0.47 0.69 -0.80 1.81 2.07 -1.15 -1.19 116.25 117.21 3lgg h VAL 202 Ca -0.01 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.56 3lgg h VAL 202 Cb 0.42 0.69 -0.06 0.00 -1.52 0.00 0.00 31.29 30.82 3lgg h VAL 202 CO -0.02 0.00 0.49 0.15 0.02 0.00 0.00 177.57 178.21 3lgg h PHE 203 N -0.10 0.91 -0.34 1.57 3.04 -1.28 -2.68 116.94 118.07 3lgg h PHE 203 Ca 0.10 0.03 -0.13 0.00 3.98 0.00 0.00 57.97 61.94 3lgg h PHE 203 Cb 0.24 -0.29 -0.01 0.00 2.56 0.00 0.00 35.95 38.45 3lgg h PHE 203 CO -0.24 0.47 -0.32 -0.09 -2.02 0.00 0.00 178.31 176.10 3lgg h ARG 204 N 0.91 0.74 -0.34 1.11 2.43 -0.38 -1.70 114.38 117.13 3lgg h ARG 204 Ca 0.35 -0.34 -0.03 0.00 -0.81 0.00 0.00 59.98 59.15 3lgg h ARG 204 Cb 0.15 -0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 29.67 3lgg h ARG 204 CO -0.16 0.96 0.09 0.66 -1.51 0.00 0.00 179.97 180.00 3lgg h SER 205 N 0.62 0.45 -0.32 -3.80 4.64 -0.94 0.76 113.55 114.96 3lgg h SER 205 Ca 0.07 -0.06 -0.05 0.00 -0.47 0.00 0.00 61.79 61.28 3lgg h SER 205 Cb 0.85 -0.12 -0.01 0.00 -0.31 0.00 0.00 62.40 62.81 3lgg h SER 205 CO 0.07 0.45 -0.01 0.24 -0.87 0.00 0.00 176.83 176.72 3lgg h MET 206 N 0.49 0.57 -0.45 4.77 2.86 -1.21 -2.30 114.93 119.66 3lgg h MET 206 Ca 0.12 -0.19 0.08 0.00 -2.06 0.00 0.00 59.70 57.65 3lgg h MET 206 Cb 0.18 -0.05 -0.07 0.00 0.06 0.00 0.00 31.60 31.71 3lgg h MET 206 CO -0.01 0.71 0.01 1.96 1.06 0.00 0.00 176.91 180.64 3lgg h GLN 207 N 0.37 0.11 -0.32 1.72 4.20 -0.43 0.25 115.11 121.01 3lgg h GLN 207 Ca 0.09 -0.01 -0.12 0.00 0.06 0.00 0.00 58.65 58.67 3lgg h GLN 207 Cb 0.46 -0.03 -0.01 0.00 0.30 0.00 0.00 27.48 28.20 3lgg h GLN 207 CO 0.02 0.08 -0.31 0.93 -0.67 0.00 0.00 178.83 178.88 3lgg h GLU 208 N 0.12 0.68 0.05 1.46 5.08 -0.86 0.12 114.58 121.23 3lgg h GLU 208 Ca 0.22 -0.31 -0.24 0.00 -1.00 0.00 0.00 59.36 58.04 3lgg h GLU 208 Cb 0.33 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.56 3lgg h GLU 208 CO -0.37 0.90 -1.04 0.74 -1.00 0.00 0.00 179.01 178.25 3lgg h PHE 209 N 0.58 0.51 -0.62 4.33 0.04 -1.21 -2.65 116.94 117.93 3lgg h PHE 209 Ca 0.07 -0.31 -0.04 0.00 2.80 0.00 0.00 57.97 60.48 3lgg h PHE 209 Cb 0.81 -0.05 -0.03 0.00 2.20 0.00 0.00 35.95 38.89 3lgg h PHE 209 CO 0.04 1.17 0.22 -0.92 -0.60 0.00 0.00 178.31 178.21 3lgg h TYR 210 N 0.15 0.97 -0.03 -0.55 3.20 -0.33 0.17 116.97 120.55 3lgg h TYR 210 Ca -0.09 -0.09 -0.02 0.00 3.14 0.00 0.00 58.73 61.67 3lgg h TYR 210 Cb 1.71 -0.28 -0.00 0.00 1.54 0.00 0.00 36.73 39.69 3lgg h TYR 210 CO 0.06 0.79 -0.06 1.49 -1.64 0.00 0.00 178.16 178.79 3lgg h GLU 211 N 0.87 0.05 -0.16 1.82 4.22 -0.79 -1.25 114.58 119.33 3lgg h GLU 211 Ca 0.20 -0.01 0.00 0.00 0.08 0.00 0.00 59.36 59.64 3lgg h GLU 211 Cb 0.25 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.49 3lgg h GLU 211 CO -0.01 0.12 0.00 -3.47 -2.18 0.00 0.00 179.01 173.46 3lgg n ASP 212 N -4.44 1.09 -2.10 1.04 2.03 -0.85 -4.90 116.55 108.42 3lgg n ASP 212 Ca -0.02 -1.82 -0.14 0.00 0.52 0.00 0.00 54.79 53.33 3lgg n ASP 212 Cb 0.16 -0.11 0.03 0.00 -0.72 0.00 0.00 41.12 40.48 3lgg n ASP 212 CO 0.00 0.00 0.00 -3.20 -1.92 0.00 0.00 177.20 172.08 3lgg n ASN 213 N 0.02 -4.44 -4.48 1.67 2.85 -0.47 -4.76 115.26 105.64 3lgg n ASN 213 Ca 0.11 -0.24 -0.33 0.00 -0.11 0.00 0.00 54.58 54.01 3lgg n ASN 213 Cb 0.20 -3.19 -0.13 0.00 1.24 0.00 0.00 39.78 37.90 3lgg n ASN 213 CO 0.00 0.00 0.00 -0.69 -2.11 0.00 0.00 177.26 174.46 3lgg s VAL 214 N -3.04 3.52 -0.65 3.44 1.01 -0.01 -2.04 120.40 122.64 3lgg s VAL 214 Ca 0.26 -0.51 0.09 0.00 0.00 0.00 0.00 61.98 61.81 3lgg s VAL 214 Cb -0.11 -2.48 -0.04 0.00 0.00 0.00 0.00 36.38 33.75 3lgg s VAL 214 CO 0.32 0.54 0.50 0.18 0.00 0.00 0.00 175.10 176.64 3lgg n LEU 215 N 3.04 0.84 -3.80 3.92 4.77 -0.24 -3.50 117.00 122.04 3lgg n LEU 215 Ca -0.18 -0.66 -0.13 0.00 -0.03 0.00 0.00 56.01 55.02 3lgg n LEU 215 Cb 0.53 0.00 -0.09 0.00 -2.33 0.00 0.00 43.42 41.52 3lgg n LEU 215 CO 0.30 0.18 -0.05 -0.47 -1.33 0.00 0.00 177.39 176.02 3lgg s TYR 216 N -1.47 -0.14 -0.02 -1.77 5.04 -1.22 -0.62 117.35 117.15 3lgg s TYR 216 Ca 0.06 0.23 0.00 0.00 -2.44 0.00 0.00 57.07 54.92 3lgg s TYR 216 Cb 0.07 0.06 0.02 0.00 0.35 0.00 0.00 41.96 42.46 3lgg s TYR 216 CO 0.27 -0.32 0.01 -1.64 -1.34 0.00 0.00 175.55 172.53 3lgg s MET 217 N -1.10 0.14 -0.15 4.97 -1.94 -1.06 -0.81 119.30 119.35 3lgg s MET 217 Ca -0.12 0.08 -0.00 0.00 -1.71 0.00 0.00 55.69 53.94 3lgg s MET 217 Cb -0.05 -0.32 -0.01 0.00 2.01 0.00 0.00 34.83 36.46 3lgg s MET 217 CO 0.03 -0.11 -0.13 -1.21 -0.01 0.00 0.00 175.02 173.59 3lgg s GLU 218 N 0.78 3.33 -0.13 2.03 2.02 -0.48 -1.50 118.70 124.75 3lgg s GLU 218 Ca -0.07 -0.70 0.03 0.00 0.02 0.00 0.00 54.97 54.24 3lgg s GLU 218 Cb -0.10 -2.67 0.00 0.00 0.10 0.00 0.00 34.13 31.47 3lgg s GLU 218 CO -0.02 0.11 -0.22 0.42 0.02 0.00 0.00 175.26 175.58 3lgg s ILE 219 N 0.61 2.16 -0.34 -1.63 1.01 -0.53 -3.65 121.20 118.83 3lgg s ILE 219 Ca -0.07 -0.96 -0.29 0.00 0.00 0.00 0.00 60.65 59.33 3lgg s ILE 219 Cb -0.16 -1.86 0.00 0.00 0.01 0.00 0.00 42.46 40.46 3lgg s ILE 219 CO 0.03 0.55 1.37 -0.13 0.00 0.00 0.00 174.94 176.76 3lgg s ARG 220 N 0.66 3.77 -0.10 2.79 3.00 0.11 -0.17 118.95 129.02 3lgg s ARG 220 Ca -0.10 1.16 0.03 0.00 0.00 0.00 0.00 55.73 56.81 3lgg s ARG 220 Cb -0.16 -3.95 0.01 0.00 0.00 0.00 0.00 34.95 30.85 3lgg s ARG 220 CO 0.02 -1.31 -0.17 0.00 0.00 0.00 0.00 175.30 173.83 3lgg s ALA 221 N 4.86 1.75 0.14 2.13 0.00 -0.11 -0.50 121.76 130.03 3lgg s ALA 221 Ca 0.59 -0.74 0.23 0.00 0.00 0.00 0.00 51.96 52.04 3lgg s ALA 221 Cb -0.16 -0.77 0.87 0.00 0.00 0.00 0.00 23.12 23.06 3lgg s ALA 221 CO 0.27 0.08 1.81 0.00 0.00 0.00 0.00 175.76 177.92 3lgg h ARG 222 N 7.10 0.00 -6.13 0.00 2.47 -1.88 -1.08 114.38 114.87 3lgg h ARG 222 Ca -0.28 0.00 -0.43 0.00 -1.26 0.00 0.00 59.98 58.01 3lgg h ARG 222 Cb 1.20 0.00 0.04 0.00 -1.65 0.00 0.00 29.97 29.55 3lgg h ARG 222 CO 0.49 0.25 -0.81 1.28 0.56 0.00 0.00 179.97 181.73 3lgg n LEU 223 N -3.42 -2.99 -4.74 3.04 4.77 -1.26 -4.75 117.00 107.64 3lgg n LEU 223 Ca 0.00 -0.80 -0.34 0.00 -0.03 0.00 0.00 56.01 54.84 3lgg n LEU 223 Cb 0.44 -2.65 0.07 0.00 -2.33 0.00 0.00 43.42 38.96 3lgg n LEU 223 CO 0.34 0.43 0.77 -0.76 -1.33 0.00 0.00 177.39 176.84 3lgg s LEU 224 N -6.82 3.34 0.20 2.23 2.01 -1.26 -4.61 118.68 113.77 3lgg s LEU 224 Ca 0.16 2.20 -0.32 0.00 0.01 0.00 0.00 54.13 56.18 3lgg s LEU 224 Cb -0.08 -4.57 -0.12 0.00 0.01 0.00 0.00 46.19 41.43 3lgg s LEU 224 CO 0.81 -1.99 1.72 -2.16 1.01 0.00 0.00 176.35 175.74 3lgg s PRO 225 N -3.99 4.13 0.07 1.29 0.04 -1.26 -4.96 135.00 130.32 3lgg s PRO 225 Ca 0.71 2.59 -0.16 0.00 0.04 0.00 0.00 61.00 64.18 3lgg s PRO 225 Cb -0.25 -3.11 -0.06 0.00 0.04 0.00 0.00 34.50 31.12 3lgg s PRO 225 CO 0.44 -0.75 0.51 0.08 0.04 0.00 0.00 177.00 177.31 3lgg s VAL 226 N 1.26 4.87 0.19 -0.36 1.01 -1.26 -4.87 120.40 121.25 3lgg s VAL 226 Ca 0.75 0.97 0.07 0.00 0.00 0.00 0.00 61.98 63.77 3lgg s VAL 226 Cb -0.49 -3.79 -0.05 0.00 0.00 0.00 0.00 36.38 32.05 3lgg s VAL 226 CO 0.32 0.47 -0.14 -0.72 0.00 0.00 0.00 175.10 175.04 3lgg s TYR 227 N -1.20 1.62 0.42 5.22 -0.85 0.23 0.22 117.35 123.01 3lgg s TYR 227 Ca 0.30 -0.60 0.07 0.00 -0.52 0.00 0.00 57.07 56.32 3lgg s TYR 227 Cb -0.17 -0.77 -0.03 0.00 0.38 0.00 0.00 41.96 41.37 3lgg s TYR 227 CO 0.17 0.30 0.30 -1.21 -1.52 0.00 0.00 175.55 173.60 3lgg s GLU 228 N -3.60 2.40 0.38 -3.49 0.41 -0.66 -0.85 118.70 113.29 3lgg s GLU 228 Ca 0.21 -1.68 0.07 0.00 -0.41 0.00 0.00 54.97 53.15 3lgg s GLU 228 Cb -0.00 -2.21 0.78 0.00 -1.78 0.00 0.00 34.13 30.91 3lgg s GLU 228 CO 0.06 -0.19 1.99 -0.07 -0.49 0.00 0.00 175.26 176.56 3lgg h LEU 229 N 1.17 0.60 -1.51 1.80 3.38 -1.91 -1.53 115.31 117.32 3lgg h LEU 229 Ca -0.42 -0.00 0.06 0.00 0.09 0.00 0.00 57.88 57.61 3lgg h LEU 229 Cb 1.26 -0.13 -0.04 0.00 0.09 0.00 0.00 40.66 41.84 3lgg h LEU 229 CO 0.62 0.40 0.41 0.77 0.09 0.00 0.00 178.44 180.74 3lgg h SER 230 N 0.69 0.53 0.00 -0.43 4.64 -1.94 -3.23 113.55 113.81 3lgg h SER 230 Ca 0.27 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.59 3lgg h SER 230 Cb 0.18 -0.11 0.00 0.00 -0.31 0.00 0.00 62.40 62.16 3lgg h SER 230 CO -0.08 0.34 0.00 0.61 -0.87 0.00 0.00 176.83 176.84 3lgg n GLY 231 N -1.48 0.83 3.77 -0.77 0.00 -0.57 -5.01 105.19 101.95 3lgg n GLY 231 Ca 0.09 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.72 3lgg n GLY 231 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3lgg s GLU 232 N -0.40 3.91 -0.07 1.61 -1.05 -1.26 -4.78 118.70 116.66 3lgg s GLU 232 Ca 0.00 2.15 0.00 0.00 -0.15 0.00 0.00 54.97 56.98 3lgg s GLU 232 Cb 0.00 -2.72 -0.03 0.00 -0.44 0.00 0.00 34.13 30.95 3lgg s GLU 232 CO 0.00 -0.54 -0.06 -1.01 0.95 0.00 0.00 175.26 174.60 3lgg s HIS 233 N -1.28 2.95 0.53 4.83 3.76 -1.26 -1.65 115.29 123.18 3lgg s HIS 233 Ca 0.58 0.01 0.02 0.00 -0.15 0.00 0.00 55.06 55.52 3lgg s HIS 233 Cb -0.38 -1.73 0.03 0.00 1.11 0.00 0.00 32.58 31.61 3lgg s HIS 233 CO 0.48 0.32 0.75 -1.01 -0.85 0.00 0.00 174.74 174.43 3lgg s HIS 234 N -0.75 2.89 0.43 1.40 0.09 0.13 -4.97 115.29 114.52 3lgg s HIS 234 Ca 0.11 -0.02 0.04 0.00 -0.00 0.00 0.00 55.06 55.20 3lgg s HIS 234 Cb -0.11 -2.68 0.04 0.00 -0.00 0.00 0.00 32.58 29.83 3lgg s HIS 234 CO 0.02 -0.78 0.33 -0.40 -0.00 0.00 0.00 174.74 173.90 3lgg n ASP 235 N -2.27 2.36 -0.11 1.40 5.68 -1.26 -4.03 116.55 118.31 3lgg n ASP 235 Ca 0.07 -2.48 -0.06 0.00 -0.50 0.00 0.00 54.79 51.83 3lgg n ASP 235 Cb 0.59 -0.04 0.02 0.00 -1.14 0.00 0.00 41.12 40.55 3lgg n ASP 235 CO 0.00 0.00 0.00 -0.33 -1.33 0.00 0.00 177.20 175.54 3lgg h GLU 236 N 0.00 0.23 -0.56 0.11 3.07 -1.93 -2.13 114.58 113.37 3lgg h GLU 236 Ca -0.27 -0.01 0.11 0.00 -0.50 0.00 0.00 59.36 58.69 3lgg h GLU 236 Cb 1.00 -0.05 -0.10 0.00 -0.84 0.00 0.00 28.75 28.76 3lgg h GLU 236 CO 0.43 0.15 -0.01 0.93 -1.40 0.00 0.00 179.01 179.11 3lgg h GLU 237 N 0.24 0.11 -0.88 2.33 3.07 -1.96 -1.67 114.58 115.82 3lgg h GLU 237 Ca 0.17 -0.01 0.01 0.00 -0.50 0.00 0.00 59.36 59.03 3lgg h GLU 237 Cb 0.18 -0.02 -0.04 0.00 -0.84 0.00 0.00 28.75 28.02 3lgg h GLU 237 CO -0.20 0.07 0.57 2.35 -1.40 0.00 0.00 179.01 180.40 3lgg h TRP 238 N 0.11 1.11 -0.47 4.33 7.01 -1.80 -0.68 115.95 125.56 3lgg h TRP 238 Ca 0.29 0.02 -0.13 0.00 2.11 0.00 0.00 58.89 61.18 3lgg h TRP 238 Cb 0.45 -0.37 -0.01 0.00 -2.10 0.00 0.00 29.16 27.13 3lgg h TRP 238 CO -0.35 0.71 -0.21 0.77 -2.79 0.00 0.00 178.44 176.56 3lgg h SER 239 N 1.19 1.01 -0.41 2.65 0.02 -0.82 -1.58 113.55 115.61 3lgg h SER 239 Ca 0.32 -0.40 -0.12 0.00 -0.84 0.00 0.00 61.79 60.75 3lgg h SER 239 Cb -0.12 -0.28 -0.01 0.00 0.14 0.00 0.00 62.40 62.13 3lgg h SER 239 CO -0.07 1.18 -0.20 0.58 -1.14 0.00 0.00 176.83 177.18 3lgg h VAL 240 N 0.83 1.27 -0.23 2.27 2.07 -1.00 -0.64 116.25 120.82 3lgg h VAL 240 Ca 0.11 -1.34 -0.00 0.00 0.82 0.00 0.00 66.70 66.28 3lgg h VAL 240 Cb 0.79 1.13 -0.01 0.00 -1.52 0.00 0.00 31.29 31.68 3lgg h VAL 240 CO 0.07 0.46 0.14 0.50 0.02 0.00 0.00 177.57 178.76 3lgg h LYS 241 N 0.79 0.31 -0.59 1.57 1.63 -1.06 -1.97 116.57 117.26 3lgg h LYS 241 Ca 0.11 -0.02 -0.00 0.00 -0.85 0.00 0.00 60.65 59.88 3lgg h LYS 241 Cb 0.75 -0.07 -0.03 0.00 -0.60 0.00 0.00 32.23 32.28 3lgg h LYS 241 CO 0.06 0.24 0.36 1.15 -3.45 0.00 0.00 179.45 177.81 3lgg h THR 242 N 0.29 1.17 -0.05 1.00 2.02 -1.09 0.39 112.91 116.64 3lgg h THR 242 Ca 0.08 -0.38 0.02 0.00 0.77 0.00 0.00 66.41 66.90 3lgg h THR 242 Cb 0.00 0.35 -0.02 0.00 -1.74 0.00 0.00 68.15 66.75 3lgg h THR 242 CO -0.02 0.18 -0.05 1.88 0.37 0.00 0.00 175.52 177.88 3lgg h TYR 243 N 0.80 -0.13 -0.27 3.16 0.05 -0.95 0.97 116.97 120.60 3lgg h TYR 243 Ca 0.21 0.01 0.05 0.00 0.05 0.00 0.00 58.73 59.05 3lgg h TYR 243 Cb -0.03 0.06 -0.05 0.00 1.01 0.00 0.00 36.73 37.73 3lgg h TYR 243 CO -0.02 -0.08 -0.05 0.37 -1.05 0.00 0.00 178.16 177.32 3lgg h GLN 244 N -0.07 0.02 -0.22 4.88 4.15 -1.12 -1.51 115.11 121.24 3lgg h GLN 244 Ca 0.04 -0.00 -0.01 0.00 0.77 0.00 0.00 58.65 59.45 3lgg h GLN 244 Cb 0.13 -0.00 -0.01 0.00 0.21 0.00 0.00 27.48 27.80 3lgg h GLN 244 CO -0.09 0.01 0.10 0.93 -1.93 0.00 0.00 178.83 177.86 3lgg h GLU 245 N 0.02 0.32 -0.65 1.69 5.08 -0.49 -0.68 114.58 119.86 3lgg h GLU 245 Ca 0.13 -0.05 -0.07 0.00 -1.00 0.00 0.00 59.36 58.37 3lgg h GLU 245 Cb 0.20 -0.06 -0.03 0.00 0.50 0.00 0.00 28.75 29.36 3lgg h GLU 245 CO -0.27 0.33 0.12 0.28 -1.00 0.00 0.00 179.01 178.48 3lgg h VAL 246 N 0.22 1.26 -0.77 3.13 2.07 -0.76 -1.44 116.25 119.97 3lgg h VAL 246 Ca 0.08 -1.00 -0.04 0.00 0.82 0.00 0.00 66.70 66.55 3lgg h VAL 246 Cb 0.12 0.65 -0.03 0.00 -1.52 0.00 0.00 31.29 30.51 3lgg h VAL 246 CO -0.01 0.38 0.32 0.00 0.02 0.00 0.00 177.57 178.28 3lgg h ALA 247 N 1.05 1.12 -0.30 1.67 0.00 -1.12 -0.01 119.26 121.66 3lgg h ALA 247 Ca 0.20 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 3lgg h ALA 247 Cb 0.42 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 3lgg h ALA 247 CO 0.01 0.64 0.16 1.96 0.00 0.00 0.00 179.25 182.02 3lgg h GLN 248 N 1.11 0.43 -0.89 0.00 4.20 -0.85 -0.65 115.11 118.45 3lgg h GLN 248 Ca 0.26 -0.05 0.05 0.00 0.06 0.00 0.00 58.65 58.96 3lgg h GLN 248 Cb 0.19 -0.08 -0.05 0.00 0.30 0.00 0.00 27.48 27.83 3lgg h GLN 248 CO -0.02 0.37 0.59 -0.22 -0.67 0.00 0.00 178.83 178.87 3lgg h LYS 249 N 0.37 1.05 -0.21 1.46 1.63 -0.86 -1.48 116.57 118.52 3lgg h LYS 249 Ca 0.11 -0.06 -0.10 0.00 -0.85 0.00 0.00 60.65 59.74 3lgg h LYS 249 Cb 0.07 -0.24 -0.00 0.00 -0.60 0.00 0.00 32.23 31.47 3lgg h LYS 249 CO -0.02 0.69 -0.26 0.35 -3.45 0.00 0.00 179.45 176.77 3lgg h PHE 250 N 1.08 0.66 0.00 1.91 3.57 -0.72 -3.14 116.94 120.29 3lgg h PHE 250 Ca 0.37 -0.21 -0.05 0.00 3.53 0.00 0.00 57.97 61.61 3lgg h PHE 250 Cb 0.08 -0.13 -0.01 0.00 2.79 0.00 0.00 35.95 38.68 3lgg h PHE 250 CO -0.00 0.91 -0.21 0.28 -2.23 0.00 0.00 178.31 177.06 3lgg h VAL 251 N 0.21 0.81 -0.19 1.41 2.07 -0.79 -1.44 116.25 118.34 3lgg h VAL 251 Ca 0.03 -0.85 -0.07 0.00 0.82 0.00 0.00 66.70 66.63 3lgg h VAL 251 Cb 0.83 1.51 -0.01 0.00 -1.52 0.00 0.00 31.29 32.09 3lgg h VAL 251 CO 0.06 0.21 -0.18 -0.33 0.02 0.00 0.00 177.57 177.35 3lgg h GLU 252 N 0.00 0.31 -0.30 1.57 5.08 -1.23 -2.90 114.58 117.11 3lgg h GLU 252 Ca -0.00 -0.09 0.00 0.00 -1.00 0.00 0.00 59.36 58.27 3lgg h GLU 252 Cb 0.49 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.71 3lgg h GLU 252 CO 0.03 0.49 0.00 0.25 -1.00 0.00 0.00 179.01 178.78 3lgg n THR 253 N -4.20 0.61 -3.20 1.13 -2.24 -0.95 -4.64 114.28 100.78 3lgg n THR 253 Ca -0.00 -0.80 -0.20 0.00 -2.27 0.00 0.00 64.05 60.77 3lgg n THR 253 Cb 0.32 0.82 -0.07 0.00 -2.10 0.00 0.00 70.33 69.31 3lgg n THR 253 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 3lgg n HIS 254 N 0.90 -1.71 0.29 4.78 8.25 -0.58 -5.03 115.22 122.12 3lgg n HIS 254 Ca 0.13 -2.79 0.16 0.00 -0.26 0.00 0.00 57.72 54.97 3lgg n HIS 254 Cb 0.45 0.57 0.77 0.00 1.12 0.00 0.00 29.99 32.90 3lgg n HIS 254 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 3lgg h PRO 255 N 5.31 0.00 0.00 -0.41 0.13 -1.78 -1.77 132.00 133.49 3lgg h PRO 255 Ca 0.19 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 65.25 3lgg h PRO 255 Cb 0.96 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.08 3lgg h PRO 255 CO 0.28 0.00 -0.74 0.93 -0.23 0.00 0.00 178.00 178.25 3lgg h GLU 256 N 0.00 0.00 -6.59 0.86 5.08 -1.96 -3.46 114.58 108.52 3lgg h GLU 256 Ca 0.00 0.00 -0.53 0.00 -1.00 0.00 0.00 59.36 57.83 3lgg h GLU 256 Cb 0.18 0.00 0.04 0.00 0.50 0.00 0.00 28.75 29.47 3lgg h GLU 256 CO 0.00 0.22 0.86 0.12 -1.00 0.00 0.00 179.01 179.21 3lgg s PHE 257 N -3.11 3.05 0.09 4.33 5.36 -0.66 -4.94 117.98 122.10 3lgg s PHE 257 Ca 0.02 0.65 -0.08 0.00 -0.96 0.00 0.00 56.93 56.56 3lgg s PHE 257 Cb 0.08 -3.89 -0.20 0.00 -0.34 0.00 0.00 43.02 38.66 3lgg s PHE 257 CO 0.76 -3.29 1.20 0.82 -1.46 0.00 0.00 175.22 173.24 3lgg h ILE 258 N 4.11 1.37 0.00 3.12 1.08 -1.19 -3.45 117.51 122.55 3lgg h ILE 258 Ca -0.42 -2.56 0.00 0.00 -0.39 0.00 0.00 64.86 61.48 3lgg h ILE 258 Cb 1.20 2.61 0.00 0.00 -3.07 0.00 0.00 36.82 37.57 3lgg h ILE 258 CO 0.91 0.77 0.00 0.61 -0.69 0.00 0.00 178.15 179.75 3lgg n GLY 259 N 1.21 0.57 3.22 5.37 0.00 -1.25 -5.06 105.19 109.26 3lgg n GLY 259 Ca -0.10 -2.15 -0.19 0.00 0.00 0.00 0.00 46.02 43.58 3lgg n GLY 259 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3lgg s ILE 260 N -0.88 1.31 0.26 -0.61 -4.36 -1.26 -2.57 121.20 113.09 3lgg s ILE 260 Ca 0.00 -1.51 0.10 0.00 -0.26 0.00 0.00 60.65 58.98 3lgg s ILE 260 Cb 0.00 -1.34 -0.05 0.00 1.25 0.00 0.00 42.46 42.32 3lgg s ILE 260 CO 0.00 -0.27 -0.16 -0.54 0.24 0.00 0.00 174.94 174.21 3lgg s LYS 261 N -2.14 1.57 -0.13 0.37 1.02 -0.56 -4.92 119.74 114.94 3lgg s LYS 261 Ca 0.04 -1.73 0.00 0.00 0.02 0.00 0.00 55.97 54.30 3lgg s LYS 261 Cb -0.08 -1.52 -0.01 0.00 -0.52 0.00 0.00 37.83 35.70 3lgg s LYS 261 CO 0.03 0.25 -0.15 0.42 -0.92 0.00 0.00 175.35 174.98 3lgg s ILE 262 N -2.70 2.82 -0.39 2.17 -1.09 0.49 -1.46 121.20 121.04 3lgg s ILE 262 Ca 0.28 -0.74 -0.13 0.00 -2.23 0.00 0.00 60.65 57.83 3lgg s ILE 262 Cb -0.02 -2.17 0.02 0.00 -1.58 0.00 0.00 42.46 38.71 3lgg s ILE 262 CO 0.12 0.53 0.25 -0.63 -1.23 0.00 0.00 174.94 173.98 3lgg s ILE 263 N 0.47 4.90 0.31 2.92 1.01 0.77 -0.09 121.20 131.49 3lgg s ILE 263 Ca -0.11 -0.76 -0.29 0.00 0.00 0.00 0.00 60.65 59.49 3lgg s ILE 263 Cb -0.16 -3.73 -0.10 0.00 0.01 0.00 0.00 42.46 38.48 3lgg s ILE 263 CO 0.05 -0.27 1.33 -0.47 0.00 0.00 0.00 174.94 175.58 3lgg s TYR 264 N 1.61 3.05 0.02 3.97 5.04 -0.36 -0.93 117.35 129.75 3lgg s TYR 264 Ca 0.03 1.35 -0.02 0.00 -2.44 0.00 0.00 57.07 55.99 3lgg s TYR 264 Cb -0.19 -3.70 -0.02 0.00 0.35 0.00 0.00 41.96 38.40 3lgg s TYR 264 CO 0.08 -1.99 0.02 -1.54 -1.34 0.00 0.00 175.55 170.78 3lgg s SER 265 N -0.31 0.23 0.05 4.32 1.04 -0.41 -1.10 113.70 117.51 3lgg s SER 265 Ca 0.51 -0.52 -0.01 0.00 0.48 0.00 0.00 55.95 56.41 3lgg s SER 265 Cb -0.40 0.15 -0.04 0.00 0.10 0.00 0.00 66.02 65.83 3lgg s SER 265 CO 0.51 -0.38 -0.02 -0.62 0.98 0.00 0.00 173.24 173.70 3lgg s ASP 266 N -1.73 0.47 0.18 7.02 -1.08 -1.08 -4.22 116.67 116.23 3lgg s ASP 266 Ca -0.11 -0.98 -0.30 0.00 -0.52 0.00 0.00 52.55 50.64 3lgg s ASP 266 Cb -0.06 0.20 -0.08 0.00 -1.46 0.00 0.00 42.92 41.53 3lgg s ASP 266 CO -0.02 -0.60 1.08 -1.00 0.52 0.00 0.00 175.17 175.15 3lgg s HIS 267 N -3.86 3.64 -2.00 -5.34 3.76 -1.26 -1.53 115.29 108.70 3lgg s HIS 267 Ca 0.06 1.64 0.06 0.00 -0.15 0.00 0.00 55.06 56.68 3lgg s HIS 267 Cb 0.07 -3.24 0.37 0.00 1.11 0.00 0.00 32.58 30.90 3lgg s HIS 267 CO -0.10 -0.46 1.16 2.89 -0.85 0.00 0.00 174.74 177.37 3lgg n ARG 268 N 2.32 0.91 -0.33 1.40 1.85 0.28 -3.01 116.66 120.07 3lgg n ARG 268 Ca 0.02 0.00 0.09 0.00 -1.00 0.00 0.00 57.85 56.96 3lgg n ARG 268 Cb 0.46 -1.11 0.26 0.00 -1.05 0.00 0.00 32.46 31.02 3lgg n ARG 268 CO 0.00 0.00 0.00 -1.13 -0.01 0.00 0.00 177.63 176.49 3lgg n SER 269 N -0.61 3.20 -4.84 2.89 3.41 -1.26 -0.93 113.62 115.49 3lgg n SER 269 Ca 0.05 -2.08 -0.22 0.00 -0.26 0.00 0.00 58.87 56.36 3lgg n SER 269 Cb 0.02 -0.41 -0.04 0.00 -0.26 0.00 0.00 64.21 63.52 3lgg n SER 269 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 3lgg s LYS 270 N -1.36 2.95 0.41 4.33 1.02 -1.16 -4.95 119.74 120.99 3lgg s LYS 270 Ca 0.38 -1.05 -0.26 0.00 0.02 0.00 0.00 55.97 55.07 3lgg s LYS 270 Cb 0.21 -2.58 -0.09 0.00 -0.52 0.00 0.00 37.83 34.85 3lgg s LYS 270 CO 0.24 0.38 1.33 -0.51 -0.92 0.00 0.00 175.35 175.87 3lgg s ASP 271 N -3.86 6.23 0.48 2.83 1.01 -1.26 -4.83 116.67 117.28 3lgg s ASP 271 Ca 0.33 2.70 0.25 0.00 0.71 0.00 0.00 52.55 56.55 3lgg s ASP 271 Cb -0.08 -2.64 1.30 0.00 1.01 0.00 0.00 42.92 42.51 3lgg s ASP 271 CO 0.25 -0.91 1.88 1.62 0.21 0.00 0.00 175.17 178.23 3lgg h VAL 272 N 2.44 0.62 -0.49 -1.27 3.04 -1.98 -0.02 116.25 118.59 3lgg h VAL 272 Ca -0.50 -0.06 -0.09 0.00 -1.01 0.00 0.00 66.70 65.04 3lgg h VAL 272 Cb 1.25 0.43 -0.02 0.00 -2.01 0.00 0.00 31.29 30.94 3lgg h VAL 272 CO 0.62 0.03 -0.05 0.00 -1.01 0.00 0.00 177.57 177.16 3lgg h ALA 273 N 1.60 0.66 -0.62 3.17 0.00 -1.99 0.84 119.26 122.92 3lgg h ALA 273 Ca 0.43 -0.31 -0.05 0.00 0.00 0.00 0.00 54.91 54.98 3lgg h ALA 273 Cb 1.41 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 19.00 3lgg h ALA 273 CO -0.08 0.52 0.21 0.28 0.00 0.00 0.00 179.25 180.17 3lgg h VAL 274 N 0.75 1.24 -0.27 0.00 2.07 -1.41 -2.39 116.25 116.24 3lgg h VAL 274 Ca 0.13 -0.81 -0.11 0.00 0.82 0.00 0.00 66.70 66.73 3lgg h VAL 274 Cb 0.59 0.61 -0.01 0.00 -1.52 0.00 0.00 31.29 30.95 3lgg h VAL 274 CO 0.04 0.31 -0.31 0.40 0.02 0.00 0.00 177.57 178.03 3lgg h ILE 275 N 0.87 1.28 -0.61 4.57 1.08 -1.07 -1.85 117.51 121.78 3lgg h ILE 275 Ca 0.20 -1.40 0.05 0.00 -0.39 0.00 0.00 64.86 63.32 3lgg h ILE 275 Cb 0.27 1.41 -0.05 0.00 -3.07 0.00 0.00 36.82 35.38 3lgg h ILE 275 CO -0.01 0.45 0.34 0.00 -0.69 0.00 0.00 178.15 178.24 3lgg h ALA 276 N 1.19 0.80 -0.80 1.87 0.00 -0.70 0.16 119.26 121.78 3lgg h ALA 276 Ca 0.06 0.01 0.04 0.00 0.00 0.00 0.00 54.91 55.02 3lgg h ALA 276 Cb 0.77 -0.13 -0.05 0.00 0.00 0.00 0.00 17.79 18.38 3lgg h ALA 276 CO 0.06 0.03 0.50 1.49 0.00 0.00 0.00 179.25 181.34 3lgg h GLU 277 N 0.65 0.94 -0.20 0.00 4.81 -1.12 -2.64 114.58 117.03 3lgg h GLU 277 Ca 0.26 -0.06 -0.11 0.00 -0.13 0.00 0.00 59.36 59.33 3lgg h GLU 277 Cb 0.13 -0.21 -0.01 0.00 0.63 0.00 0.00 28.75 29.28 3lgg h GLU 277 CO -0.15 0.62 -0.35 0.77 -0.73 0.00 0.00 179.01 179.17 3lgg h SER 278 N 0.97 0.43 -0.73 1.04 0.02 -0.54 -2.61 113.55 112.13 3lgg h SER 278 Ca 0.33 -0.17 -0.04 0.00 -0.84 0.00 0.00 61.79 61.07 3lgg h SER 278 Cb 0.06 -0.12 -0.03 0.00 0.14 0.00 0.00 62.40 62.44 3lgg h SER 278 CO -0.13 0.75 0.30 0.40 -1.14 0.00 0.00 176.83 177.01 3lgg h ILE 279 N 0.35 1.25 -0.41 3.27 1.08 -0.74 -2.05 117.51 120.27 3lgg h ILE 279 Ca 0.04 -0.77 -0.13 0.00 -0.39 0.00 0.00 64.86 63.60 3lgg h ILE 279 Cb 0.79 0.36 -0.01 0.00 -3.07 0.00 0.00 36.82 34.88 3lgg h ILE 279 CO 0.06 0.32 -0.28 0.03 -0.69 0.00 0.00 178.15 177.59 3lgg h ARG 280 N 1.07 0.88 -0.60 2.37 3.08 -1.28 -2.04 114.38 117.87 3lgg h ARG 280 Ca 0.25 -0.40 0.05 0.00 0.07 0.00 0.00 59.98 59.96 3lgg h ARG 280 Cb 0.19 -0.02 -0.05 0.00 0.08 0.00 0.00 29.97 30.18 3lgg h ARG 280 CO -0.02 1.05 0.31 1.98 -1.07 0.00 0.00 179.97 182.22 3lgg h MET 281 N 0.75 0.57 -0.49 0.04 4.05 -1.34 -0.68 114.93 117.84 3lgg h MET 281 Ca 0.09 -0.03 -0.03 0.00 -0.28 0.00 0.00 59.70 59.44 3lgg h MET 281 Cb 0.84 -0.13 -0.02 0.00 -0.80 0.00 0.00 31.60 31.49 3lgg h MET 281 CO 0.07 0.38 0.18 0.00 0.23 0.00 0.00 176.91 177.77 3lgg h ALA 282 N 1.32 0.63 -0.39 0.39 0.00 -1.08 0.15 119.26 120.28 3lgg h ALA 282 Ca 0.27 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 55.02 3lgg h ALA 282 Cb 0.18 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 3lgg h ALA 282 CO -0.18 0.25 0.26 0.52 0.00 0.00 0.00 179.25 180.10 3lgg h MET 283 N 0.65 0.52 -0.76 0.00 2.07 -1.19 -0.36 114.93 115.85 3lgg h MET 283 Ca 0.16 -0.03 0.02 0.00 -2.07 0.00 0.00 59.70 57.78 3lgg h MET 283 Cb 0.22 -0.12 -0.04 0.00 -1.87 0.00 0.00 31.60 29.79 3lgg h MET 283 CO -0.01 0.35 0.49 0.78 1.07 0.00 0.00 176.91 179.59 3lgg h GLY 284 N 0.53 1.09 1.60 8.32 0.00 -0.70 -1.87 103.07 112.04 3lgg h GLY 284 Ca 0.14 -0.38 -0.10 0.00 0.00 0.00 0.00 47.33 47.00 3lgg h GLY 284 CO -0.03 0.34 -0.28 1.41 0.00 0.00 0.00 176.54 177.98 3lgg h LEU 285 N 0.97 0.47 -0.32 3.11 4.07 -0.44 -1.47 115.31 121.71 3lgg h LEU 285 Ca 0.29 -0.17 -0.04 0.00 0.08 0.00 0.00 57.88 58.05 3lgg h LEU 285 Cb -0.03 -0.13 -0.01 0.00 1.08 0.00 0.00 40.66 41.57 3lgg h LEU 285 CO -0.09 0.74 0.05 0.03 -1.08 0.00 0.00 178.44 178.08 3lgg h ARG 286 N 0.40 0.53 0.17 1.13 3.08 -0.69 0.16 114.38 119.16 3lgg h ARG 286 Ca 0.06 -0.15 -0.00 0.00 0.07 0.00 0.00 59.98 59.96 3lgg h ARG 286 Cb 0.71 -0.06 -0.00 0.00 0.08 0.00 0.00 29.97 30.69 3lgg h ARG 286 CO 0.05 0.63 -0.11 0.82 -1.07 0.00 0.00 179.97 180.29 3lgg h ILE 287 N 0.35 0.77 -0.47 2.04 1.08 -1.24 -1.74 117.51 118.31 3lgg h ILE 287 Ca 0.10 0.00 -0.09 0.00 -0.39 0.00 0.00 64.86 64.48 3lgg h ILE 287 Cb 0.36 0.77 -0.02 0.00 -3.07 0.00 0.00 36.82 34.86 3lgg h ILE 287 CO 0.01 0.00 -0.05 0.11 -0.69 0.00 0.00 178.15 177.52 3lgg h LYS 288 N -0.27 0.82 -2.06 2.37 1.79 -1.25 -3.37 116.57 114.60 3lgg h LYS 288 Ca -0.01 -0.25 -0.55 0.00 -2.18 0.00 0.00 60.65 57.65 3lgg h LYS 288 Cb 0.23 -0.08 -0.40 0.00 -1.58 0.00 0.00 32.23 30.40 3lgg h LYS 288 CO 0.01 0.86 -0.99 1.19 -1.08 0.00 0.00 179.45 179.44 3lgg n PHE 289 N -4.19 0.93 0.36 -1.35 3.72 0.57 -4.95 117.46 112.55 3lgg n PHE 289 Ca 0.02 -3.78 0.11 0.00 -0.05 0.00 0.00 57.45 53.75 3lgg n PHE 289 Cb 0.34 -0.42 0.47 0.00 -0.94 0.00 0.00 39.48 38.93 3lgg n PHE 289 CO 0.00 0.00 0.00 -0.35 -0.05 0.00 0.00 176.76 176.36 3lgg n PRO 290 N 0.87 0.16 0.06 -1.08 -0.04 -0.66 -1.43 135.00 132.88 3lgg n PRO 290 Ca 0.25 0.44 0.11 0.00 -0.04 0.00 0.00 63.50 64.26 3lgg n PRO 290 Cb 0.53 -1.84 -0.05 0.00 -0.04 0.00 0.00 33.50 32.10 3lgg n PRO 290 CO 0.00 0.00 0.00 2.41 -0.04 0.00 0.00 175.50 177.87 3lgg n THR 291 N -2.14 0.38 -0.09 0.52 -1.04 -1.26 -4.52 114.28 106.13 3lgg n THR 291 Ca 0.02 -0.51 -0.12 0.00 -2.04 0.00 0.00 64.05 61.40 3lgg n THR 291 Cb 0.18 -0.18 -0.08 0.00 -1.82 0.00 0.00 70.33 68.43 3lgg n THR 291 CO 0.00 0.00 0.00 0.52 -0.64 0.00 0.00 175.07 174.95 3lgg n VAL 292 N -2.48 0.98 -3.38 12.58 0.31 -0.70 -4.94 118.33 120.70 3lgg n VAL 292 Ca -0.01 -0.38 -0.44 0.00 -0.01 0.00 0.00 64.34 63.50 3lgg n VAL 292 Cb 0.55 -1.10 -0.08 0.00 -0.91 0.00 0.00 33.84 32.30 3lgg n VAL 292 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 3lgg s VAL 293 N -2.34 5.20 0.20 2.52 1.01 -0.52 -0.38 120.40 126.09 3lgg s VAL 293 Ca -0.23 -0.90 0.11 0.00 0.00 0.00 0.00 61.98 60.97 3lgg s VAL 293 Cb 0.06 -4.10 -0.03 0.00 0.00 0.00 0.00 36.38 32.30 3lgg s VAL 293 CO 0.40 -0.54 1.55 0.00 0.00 0.00 0.00 175.10 176.51 3lgg h ALA 294 N 8.75 0.83 0.00 5.51 0.00 -0.82 -3.45 119.26 130.08 3lgg h ALA 294 Ca -0.28 -0.60 0.00 0.00 0.00 0.00 0.00 54.91 54.03 3lgg h ALA 294 Cb 1.11 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.80 3lgg h ALA 294 CO 0.85 0.82 0.00 0.41 0.00 0.00 0.00 179.25 181.33 3lgg n GLY 295 N 0.54 -0.45 3.11 0.00 0.00 -1.25 -4.48 105.19 102.66 3lgg n GLY 295 Ca -0.01 -0.62 -0.12 0.00 0.00 0.00 0.00 46.02 45.27 3lgg n GLY 295 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3lgg s PHE 296 N -4.00 0.80 0.03 1.61 2.19 -0.68 -1.22 117.98 116.71 3lgg s PHE 296 Ca 0.00 -0.66 -0.16 0.00 0.33 0.00 0.00 56.93 56.45 3lgg s PHE 296 Cb 0.00 -0.47 0.03 0.00 -1.31 0.00 0.00 43.02 41.27 3lgg s PHE 296 CO 0.00 -0.09 0.35 0.34 1.83 0.00 0.00 175.22 177.65 3lgg s ASP 297 N -2.17 -0.20 -0.15 6.13 2.15 -0.26 -1.53 116.67 120.63 3lgg s ASP 297 Ca -0.01 -0.04 -0.03 0.00 0.43 0.00 0.00 52.55 52.90 3lgg s ASP 297 Cb -0.04 0.37 -0.02 0.00 -0.30 0.00 0.00 42.92 42.93 3lgg s ASP 297 CO -0.01 -0.59 -0.05 -0.76 -0.17 0.00 0.00 175.17 173.59 3lgg s LEU 298 N -1.84 3.15 0.48 -1.34 1.43 -1.26 -2.63 118.68 116.67 3lgg s LEU 298 Ca -0.07 -0.17 0.02 0.00 -1.03 0.00 0.00 54.13 52.88 3lgg s LEU 298 Cb -0.02 -1.75 -0.02 0.00 0.03 0.00 0.00 46.19 44.43 3lgg s LEU 298 CO -0.01 0.16 0.05 0.68 0.23 0.00 0.00 176.35 177.47 3lgg s VAL 299 N 0.39 0.94 0.00 -1.59 -7.23 -0.58 -4.18 120.40 108.14 3lgg s VAL 299 Ca -0.05 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.12 3lgg s VAL 299 Cb -0.14 -2.22 0.00 0.00 0.56 0.00 0.00 36.38 34.58 3lgg s VAL 299 CO 0.03 0.00 0.00 0.61 -0.31 0.00 0.00 175.10 175.43 3lgg n GLY 300 N -1.14 0.60 3.61 2.32 0.00 -1.26 -0.55 105.19 108.77 3lgg n GLY 300 Ca -0.14 -2.17 -0.43 0.00 0.00 0.00 0.00 46.02 43.28 3lgg n GLY 300 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 3lgg s HIS 301 N -1.06 1.52 0.17 1.61 5.65 -1.26 -4.87 115.29 117.05 3lgg s HIS 301 Ca 0.00 0.49 -0.05 0.00 0.25 0.00 0.00 55.06 55.75 3lgg s HIS 301 Cb 0.00 -4.03 0.05 0.00 -1.18 0.00 0.00 32.58 27.42 3lgg s HIS 301 CO 0.00 -3.66 1.46 1.49 -0.65 0.00 0.00 174.74 173.38 3lgg h GLU 302 N 13.39 0.60 -0.67 2.88 4.81 -1.92 -2.51 114.58 131.16 3lgg h GLU 302 Ca -0.38 -0.40 -0.01 0.00 -0.13 0.00 0.00 59.36 58.44 3lgg h GLU 302 Cb 1.20 0.06 -0.03 0.00 0.63 0.00 0.00 28.75 30.61 3lgg h GLU 302 CO 0.99 1.02 0.38 -0.44 -0.73 0.00 0.00 179.01 180.22 3lgg h ASP 303 N 0.45 0.81 0.00 1.04 5.19 -1.89 -3.25 116.42 118.77 3lgg h ASP 303 Ca -0.00 -0.06 0.00 0.00 -0.62 0.00 0.00 57.03 56.35 3lgg h ASP 303 Cb 1.16 -0.21 0.00 0.00 0.18 0.00 0.00 39.33 40.46 3lgg h ASP 303 CO 0.11 0.65 -1.37 0.35 -3.12 0.00 0.00 179.24 175.86 3lgg n THR 304 N -4.38 0.00 -2.17 0.35 -2.24 -1.20 -5.00 114.28 99.63 3lgg n THR 304 Ca 0.07 -0.23 0.00 0.00 -2.27 0.00 0.00 64.05 61.61 3lgg n THR 304 Cb 0.09 0.56 0.00 0.00 -2.10 0.00 0.00 70.33 68.88 3lgg n THR 304 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3lgg n GLY 305 N 1.42 0.78 3.79 3.38 0.00 -0.95 -5.03 105.19 108.58 3lgg n GLY 305 Ca 0.00 -1.95 -0.33 0.00 0.00 0.00 0.00 46.02 43.74 3lgg n GLY 305 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3lgg s HIS 306 N 0.31 2.88 0.60 1.61 3.76 -0.10 -5.00 115.29 119.34 3lgg s HIS 306 Ca 0.00 1.53 -0.05 0.00 -0.15 0.00 0.00 55.06 56.39 3lgg s HIS 306 Cb 0.00 -3.07 0.02 0.00 1.11 0.00 0.00 32.58 30.64 3lgg s HIS 306 CO 0.00 -1.26 0.90 -1.54 -0.85 0.00 0.00 174.74 171.98 3lgg s SER 307 N -2.60 5.45 0.31 1.40 1.04 -1.26 -4.94 113.70 113.09 3lgg s SER 307 Ca 0.65 0.59 -0.01 0.00 0.48 0.00 0.00 55.95 57.66 3lgg s SER 307 Cb -0.18 -1.53 0.48 0.00 0.10 0.00 0.00 66.02 64.89 3lgg s SER 307 CO 0.36 -1.14 1.98 -0.07 0.98 0.00 0.00 173.24 175.35 3lgg h LEU 308 N -0.20 0.90 -0.20 2.42 3.38 -1.93 -2.28 115.31 117.41 3lgg h LEU 308 Ca -0.45 -0.02 0.03 0.00 0.09 0.00 0.00 57.88 57.52 3lgg h LEU 308 Cb 1.27 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 41.77 3lgg h LEU 308 CO 0.60 0.65 0.04 -0.74 0.09 0.00 0.00 178.44 179.08 3lgg h HIS 309 N 1.06 0.06 -1.11 1.13 2.76 -1.94 -1.88 115.15 115.24 3lgg h HIS 309 Ca 0.29 0.01 0.31 0.00 -2.20 0.00 0.00 60.37 58.78 3lgg h HIS 309 Cb -0.12 0.00 -0.09 0.00 1.55 0.00 0.00 27.41 28.75 3lgg h HIS 309 CO 0.00 0.02 0.73 -0.44 -1.30 0.00 0.00 177.93 176.94 3lgg h ASP 310 N 0.12 0.34 -0.31 3.26 3.32 -1.80 0.89 116.42 122.23 3lgg h ASP 310 Ca 0.09 0.08 0.00 0.00 0.02 0.00 0.00 57.03 57.22 3lgg h ASP 310 Cb 0.09 0.03 0.00 0.00 0.22 0.00 0.00 39.33 39.66 3lgg h ASP 310 CO -0.12 0.03 0.00 -1.22 -1.72 0.00 0.00 179.24 176.21 3lgg n TYR 311 N -4.56 0.40 -0.27 4.55 4.01 -0.73 -4.65 117.16 115.90 3lgg n TYR 311 Ca 0.27 -0.20 -0.01 0.00 -0.16 0.00 0.00 57.90 57.81 3lgg n TYR 311 Cb 1.03 0.00 0.06 0.00 -0.31 0.00 0.00 39.34 40.12 3lgg n TYR 311 CO 0.00 0.00 0.00 -0.22 -0.46 0.00 0.00 176.86 176.18 3lgg h LYS 312 N 2.97 -0.05 -0.43 -0.72 3.64 -0.53 -0.23 116.57 121.22 3lgg h LYS 312 Ca 0.00 0.00 0.09 0.00 -1.27 0.00 0.00 60.65 59.47 3lgg h LYS 312 Cb 0.66 0.01 -0.09 0.00 -0.41 0.00 0.00 32.23 32.40 3lgg h LYS 312 CO 0.00 -0.04 -0.20 0.93 -2.27 0.00 0.00 179.45 177.87 3lgg h GLU 313 N -0.06 -0.11 -0.40 1.90 4.39 -1.83 -0.90 114.58 117.58 3lgg h GLU 313 Ca 0.33 0.01 -0.14 0.00 0.34 0.00 0.00 59.36 59.89 3lgg h GLU 313 Cb 0.58 0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 29.24 3lgg h GLU 313 CO -0.80 -0.08 -0.30 0.00 -1.16 0.00 0.00 179.01 176.67 3lgg h ALA 314 N 1.17 0.71 0.00 3.43 0.00 -1.43 -3.13 119.26 120.01 3lgg h ALA 314 Ca 0.21 -0.42 0.00 0.00 0.00 0.00 0.00 54.91 54.70 3lgg h ALA 314 Cb 0.44 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.09 3lgg h ALA 314 CO -0.50 0.66 0.00 1.28 0.00 0.00 0.00 179.25 180.69 3lgg n LEU 315 N -4.08 0.52 -0.07 0.00 4.77 -0.25 -2.73 117.00 115.15 3lgg n LEU 315 Ca -0.01 0.59 0.11 0.00 -0.03 0.00 0.00 56.01 56.67 3lgg n LEU 315 Cb 0.49 -0.47 0.13 0.00 -2.33 0.00 0.00 43.42 41.24 3lgg n LEU 315 CO 0.47 -0.32 0.31 0.23 -1.33 0.00 0.00 177.39 176.75 3lgg n MET 316 N -2.03 0.21 -0.19 3.23 2.81 -0.40 -4.48 117.12 116.27 3lgg n MET 316 Ca 0.04 -0.15 -0.01 0.00 -1.81 0.00 0.00 57.70 55.77 3lgg n MET 316 Cb 0.30 -1.50 0.06 0.00 -0.71 0.00 0.00 33.22 31.37 3lgg n MET 316 CO 0.00 0.00 0.00 0.82 1.51 0.00 0.00 175.97 178.30 3lgg h ILE 317 N 0.36 0.46 -0.38 2.02 2.04 -1.54 -1.57 117.51 118.89 3lgg h ILE 317 Ca 0.00 -0.01 0.04 0.00 1.00 0.00 0.00 64.86 65.88 3lgg h ILE 317 Cb 0.52 0.43 -0.04 0.00 -0.74 0.00 0.00 36.82 36.99 3lgg h ILE 317 CO 0.00 0.01 0.17 -0.65 0.00 0.00 0.00 178.15 177.67 3lgg h PRO 318 N 0.03 0.34 -0.69 2.37 0.11 -1.82 -1.91 132.00 130.43 3lgg h PRO 318 Ca 0.28 -0.02 0.04 0.00 0.11 0.00 0.00 66.00 66.41 3lgg h PRO 318 Cb 0.44 -0.08 -0.05 0.00 0.11 0.00 0.00 31.00 31.42 3lgg h PRO 318 CO -0.55 0.23 0.42 0.00 -0.21 0.00 0.00 178.00 177.88 3lgg h ALA 319 N 1.22 0.91 0.00 -0.75 0.00 -1.40 0.15 119.26 119.39 3lgg h ALA 319 Ca 0.17 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 55.04 3lgg h ALA 319 Cb 0.10 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 17.70 3lgg h ALA 319 CO -0.14 0.15 -0.14 0.87 0.00 0.00 0.00 179.25 180.00 3lgg h LYS 320 N 0.80 0.00 -0.17 0.00 1.57 -1.07 -1.15 116.57 116.55 3lgg h LYS 320 Ca 0.29 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.07 3lgg h LYS 320 Cb 0.08 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.39 3lgg h LYS 320 CO -0.13 0.14 0.00 -0.25 -0.57 0.00 0.00 179.45 178.63 3lgg n ASP 321 N -3.79 1.97 -2.05 0.86 9.92 -0.46 -4.94 116.55 118.07 3lgg n ASP 321 Ca -0.02 -1.74 -0.17 0.00 -0.53 0.00 0.00 54.79 52.34 3lgg n ASP 321 Cb 0.24 -0.11 0.00 0.00 -0.64 0.00 0.00 41.12 40.62 3lgg n ASP 321 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 3lgg n GLY 322 N 1.20 -0.30 3.39 0.44 0.00 -0.43 -5.02 105.19 104.48 3lgg n GLY 322 Ca 0.17 -0.15 -0.31 0.00 0.00 0.00 0.00 46.02 45.73 3lgg n GLY 322 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3lgg s VAL 323 N -2.89 2.43 -0.47 1.61 1.01 0.40 -5.00 120.40 117.49 3lgg s VAL 323 Ca 0.08 -1.23 -0.16 0.00 0.00 0.00 0.00 61.98 60.67 3lgg s VAL 323 Cb -0.03 -1.96 0.06 0.00 0.00 0.00 0.00 36.38 34.45 3lgg s VAL 323 CO 0.09 0.40 0.41 -1.59 0.00 0.00 0.00 175.10 174.42 3lgg s LYS 324 N -1.18 3.00 -0.48 2.72 0.00 -1.26 -3.38 119.74 119.16 3lgg s LYS 324 Ca 0.12 -1.24 -0.16 0.00 0.00 0.00 0.00 55.97 54.69 3lgg s LYS 324 Cb -0.10 -4.11 0.07 0.00 0.00 0.00 0.00 37.83 33.69 3lgg s LYS 324 CO 0.03 -1.01 0.44 -1.17 0.00 0.00 0.00 175.35 173.64 3lgg s LEU 325 N 1.77 5.45 0.56 2.77 2.96 -1.26 -5.07 118.68 125.86 3lgg s LEU 325 Ca 0.06 -1.21 -0.21 0.00 -0.22 0.00 0.00 54.13 52.55 3lgg s LEU 325 Cb -0.23 -2.24 -0.04 0.00 0.50 0.00 0.00 46.19 44.17 3lgg s LEU 325 CO 0.08 -0.69 1.34 -2.84 -1.32 0.00 0.00 176.35 172.92 3lgg s PRO 326 N 1.87 3.08 0.13 0.98 0.02 -1.26 -4.87 135.00 134.96 3lgg s PRO 326 Ca 0.07 2.19 0.10 0.00 0.02 0.00 0.00 61.00 63.38 3lgg s PRO 326 Cb -0.23 -2.20 -0.04 0.00 0.02 0.00 0.00 34.50 32.05 3lgg s PRO 326 CO 0.08 -1.22 -0.25 0.71 -0.33 0.00 0.00 177.00 175.99 3lgg s TYR 327 N -1.33 2.16 -0.36 6.54 2.02 -1.26 -1.69 117.35 123.43 3lgg s TYR 327 Ca 0.73 -0.39 0.14 0.00 -0.37 0.00 0.00 57.07 57.17 3lgg s TYR 327 Cb -0.40 -1.15 0.39 0.00 -0.40 0.00 0.00 41.96 40.41 3lgg s TYR 327 CO 0.46 0.33 0.83 1.19 -1.57 0.00 0.00 175.55 176.79 3lgg n PHE 328 N 0.82 0.77 -1.96 2.71 3.72 -0.58 -0.57 117.46 122.36 3lgg n PHE 328 Ca -0.17 -3.43 -0.42 0.00 -0.05 0.00 0.00 57.45 53.37 3lgg n PHE 328 Cb 0.54 -0.40 -0.03 0.00 -0.94 0.00 0.00 39.48 38.65 3lgg n PHE 328 CO 0.00 0.00 0.00 -0.06 -0.05 0.00 0.00 176.76 176.65 3lgg s PHE 329 N -2.75 2.84 0.21 1.38 0.08 -1.20 -4.54 117.98 114.00 3lgg s PHE 329 Ca 0.36 0.55 -0.32 0.00 0.12 0.00 0.00 56.93 57.63 3lgg s PHE 329 Cb 0.39 -3.91 -0.13 0.00 -0.57 0.00 0.00 43.02 38.80 3lgg s PHE 329 CO -0.04 -3.47 1.61 0.72 -0.10 0.00 0.00 175.22 173.93 3lgg n HIS 330 N 4.59 2.52 -3.65 0.36 8.25 -1.26 0.15 115.22 126.18 3lgg n HIS 330 Ca 0.14 0.21 -0.09 0.00 -0.26 0.00 0.00 57.72 57.72 3lgg n HIS 330 Cb 0.40 -2.59 -0.08 0.00 1.12 0.00 0.00 29.99 28.84 3lgg n HIS 330 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3lgg s ALA 331 N 0.69 -1.68 -1.02 -1.41 0.00 -0.50 -4.82 121.76 113.01 3lgg s ALA 331 Ca 0.73 2.13 0.00 0.00 0.00 0.00 0.00 51.96 54.82 3lgg s ALA 331 Cb -0.58 -1.25 0.00 0.00 0.00 0.00 0.00 23.12 21.28 3lgg s ALA 331 CO 0.40 -0.34 0.00 0.41 0.00 0.00 0.00 175.76 176.22 3lgg n GLY 332 N 3.84 -0.09 2.66 0.00 0.00 -1.26 -1.66 105.19 108.68 3lgg n GLY 332 Ca -0.19 -0.39 -0.41 0.00 0.00 0.00 0.00 46.02 45.03 3lgg n GLY 332 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 3lgg n GLU 333 N -2.15 3.08 -3.67 1.61 2.13 -1.26 -1.92 120.64 118.45 3lgg n GLU 333 Ca -0.14 -2.59 -0.13 0.00 0.66 0.00 0.00 57.16 54.96 3lgg n GLU 333 Cb 0.60 -3.17 -0.06 0.00 0.27 0.00 0.00 31.44 29.08 3lgg n GLU 333 CO 0.00 0.00 0.00 -0.08 -0.41 0.00 0.00 177.13 176.64 3lgg s THR 334 N 2.78 0.06 -0.76 6.31 -1.32 -1.26 -4.73 115.64 116.72 3lgg s THR 334 Ca 0.51 -0.48 0.25 0.00 -1.21 0.00 0.00 61.69 60.76 3lgg s THR 334 Cb 0.15 -0.95 0.04 0.00 -1.51 0.00 0.00 72.50 70.23 3lgg s THR 334 CO -0.08 -0.26 1.37 0.47 -2.21 0.00 0.00 174.62 173.90 3lgg n ASP 335 N 0.52 0.61 -4.79 8.08 8.00 -1.26 -4.49 116.55 123.23 3lgg n ASP 335 Ca -0.19 0.03 -0.35 0.00 0.71 0.00 0.00 54.79 55.00 3lgg n ASP 335 Cb 0.60 0.17 -0.02 0.00 -0.02 0.00 0.00 41.12 41.85 3lgg n ASP 335 CO 0.00 0.00 0.00 0.26 -0.39 0.00 0.00 177.20 177.07 3lgg s TRP 336 N -3.11 2.88 -0.03 1.24 0.52 -1.26 -5.06 118.94 114.12 3lgg s TRP 336 Ca 0.08 1.57 0.01 0.00 0.02 0.00 0.00 56.10 57.78 3lgg s TRP 336 Cb 0.15 -3.16 0.02 0.00 -1.15 0.00 0.00 33.47 29.32 3lgg s TRP 336 CO 0.71 -1.12 -0.04 -1.14 0.02 0.00 0.00 176.95 175.38 3lgg s GLN 337 N -3.21 0.64 -0.27 4.98 0.74 -1.26 -4.66 119.66 116.63 3lgg s GLN 337 Ca 0.69 -0.09 0.00 0.00 0.05 0.00 0.00 55.36 56.01 3lgg s GLN 337 Cb -0.20 -0.68 0.00 0.00 1.10 0.00 0.00 33.01 33.23 3lgg s GLN 337 CO 0.23 -0.04 0.00 0.41 -0.55 0.00 0.00 175.29 175.34 3lgg n GLY 338 N 3.81 0.58 4.00 2.59 0.00 -1.26 -5.04 105.19 109.86 3lgg n GLY 338 Ca -0.23 -0.50 -0.22 0.00 0.00 0.00 0.00 46.02 45.08 3lgg n GLY 338 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3lgg s THR 339 N -2.00 1.99 0.06 2.61 -4.23 -1.26 -5.00 115.64 107.81 3lgg s THR 339 Ca 0.00 -1.15 0.32 0.00 -1.18 0.00 0.00 61.69 59.68 3lgg s THR 339 Cb 0.00 -2.14 0.34 0.00 1.34 0.00 0.00 72.50 72.04 3lgg s THR 339 CO 0.00 0.00 1.97 0.77 -0.54 0.00 0.00 174.62 176.82 3lgg h SER 340 N 0.35 0.00 0.02 3.99 4.64 -1.99 -3.13 113.55 117.42 3lgg h SER 340 Ca -0.32 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 60.96 3lgg h SER 340 Cb 1.29 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.38 3lgg h SER 340 CO 0.46 0.00 -0.18 0.40 -0.87 0.00 0.00 176.83 176.63 3lgg h ILE 341 N 0.00 1.71 0.00 0.95 2.04 -1.94 -3.34 117.51 116.93 3lgg h ILE 341 Ca 0.00 -2.36 0.00 0.00 1.00 0.00 0.00 64.86 63.50 3lgg h ILE 341 Cb 0.24 3.30 0.00 0.00 -0.74 0.00 0.00 36.82 39.62 3lgg h ILE 341 CO 0.00 0.61 0.00 -2.24 0.00 0.00 0.00 178.15 176.52 3lgg h ASP 342 N -0.92 0.00 0.65 1.72 2.03 -1.82 -2.45 116.42 115.64 3lgg h ASP 342 Ca -0.04 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.26 3lgg h ASP 342 Cb 1.10 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.60 3lgg h ASP 342 CO 0.01 0.00 0.00 0.54 -1.03 0.00 0.00 179.24 178.76 3lgg n ARG 343 N -2.82 0.08 0.08 4.15 1.74 -1.18 -2.90 116.66 115.80 3lgg n ARG 343 Ca 0.02 0.29 0.18 0.00 -0.77 0.00 0.00 57.85 57.57 3lgg n ARG 343 Cb 0.36 -1.64 0.72 0.00 -1.02 0.00 0.00 32.46 30.88 3lgg n ARG 343 CO 0.00 0.00 0.00 -0.91 -1.52 0.00 0.00 177.63 175.20 3lgg h ASN 344 N 0.00 0.00 -0.14 0.55 2.35 -1.55 -0.88 115.58 115.91 3lgg h ASN 344 Ca 0.00 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.74 3lgg h ASN 344 Cb 0.33 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.69 3lgg h ASN 344 CO 0.00 0.00 0.04 0.40 -1.65 0.00 0.00 177.43 176.22 3lgg h ILE 345 N 0.00 1.19 -0.44 2.81 2.04 -1.76 0.85 117.51 122.21 3lgg h ILE 345 Ca 0.19 -0.61 0.06 0.00 1.00 0.00 0.00 64.86 65.49 3lgg h ILE 345 Cb 0.82 1.34 -0.05 0.00 -0.74 0.00 0.00 36.82 38.19 3lgg h ILE 345 CO -0.00 0.18 0.15 0.25 0.00 0.00 0.00 178.15 178.73 3lgg h LEU 346 N 0.03 0.16 -0.83 1.44 5.85 -1.41 -1.94 115.31 118.60 3lgg h LEU 346 Ca 0.04 0.05 -0.10 0.00 0.84 0.00 0.00 57.88 58.72 3lgg h LEU 346 Cb 0.25 0.04 -0.01 0.00 0.37 0.00 0.00 40.66 41.30 3lgg h LEU 346 CO 0.00 0.12 -0.46 0.44 -0.34 0.00 0.00 178.44 178.20 3lgg h ASP 347 N 0.32 0.00 -0.35 1.25 3.32 -1.20 -0.60 116.42 119.17 3lgg h ASP 347 Ca 0.21 0.00 -0.04 0.00 0.02 0.00 0.00 57.03 57.21 3lgg h ASP 347 Cb 0.20 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.74 3lgg h ASP 347 CO -0.21 0.46 0.06 0.00 -1.72 0.00 0.00 179.24 177.83 3lgg h ALA 348 N 1.54 0.46 -0.60 3.45 0.00 -0.52 -2.14 119.26 121.44 3lgg h ALA 348 Ca -0.00 -0.20 -0.03 0.00 0.00 0.00 0.00 54.91 54.67 3lgg h ALA 348 Cb 0.99 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.62 3lgg h ALA 348 CO 0.06 0.16 0.27 -0.07 0.00 0.00 0.00 179.25 179.67 3lgg h LEU 349 N 0.41 0.81 -2.03 0.00 4.07 -1.01 -2.21 115.31 115.34 3lgg h LEU 349 Ca 0.10 -0.15 -0.02 0.00 0.08 0.00 0.00 57.88 57.90 3lgg h LEU 349 Cb 0.35 -0.21 -0.00 0.00 1.08 0.00 0.00 40.66 41.88 3lgg h LEU 349 CO 0.01 0.73 -0.09 0.24 -1.08 0.00 0.00 178.44 178.25 3lgg h MET 350 N 0.83 0.00 -0.59 1.13 2.86 -1.02 -0.87 114.93 117.27 3lgg h MET 350 Ca 0.21 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.85 3lgg h MET 350 Cb 0.15 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.81 3lgg h MET 350 CO -0.02 0.09 0.00 1.28 1.06 0.00 0.00 176.91 179.32 3lgg n LEU 351 N -3.83 3.10 -3.43 1.22 4.77 -0.81 -4.95 117.00 113.08 3lgg n LEU 351 Ca -0.02 -1.56 -0.22 0.00 -0.03 0.00 0.00 56.01 54.18 3lgg n LEU 351 Cb 0.19 -0.45 0.08 0.00 -2.33 0.00 0.00 43.42 40.91 3lgg n LEU 351 CO 0.30 0.54 0.22 0.59 -1.33 0.00 0.00 177.39 177.71 3lgg n ASN 352 N 0.60 -5.54 -4.77 -1.43 3.02 -0.33 -4.85 115.26 101.96 3lgg n ASN 352 Ca 0.16 -0.53 -0.40 0.00 -0.03 0.00 0.00 54.58 53.78 3lgg n ASN 352 Cb 0.59 -4.83 -0.00 0.00 -0.61 0.00 0.00 39.78 34.93 3lgg n ASN 352 CO 0.00 0.00 0.00 0.28 -2.62 0.00 0.00 177.26 174.92 3lgg s THR 353 N -3.31 2.23 0.03 3.41 -1.32 -0.86 -4.56 115.64 111.25 3lgg s THR 353 Ca 0.47 0.22 -0.18 0.00 -1.21 0.00 0.00 61.69 61.00 3lgg s THR 353 Cb -0.21 -3.14 -0.25 0.00 -1.51 0.00 0.00 72.50 67.40 3lgg s THR 353 CO 0.69 0.05 1.11 0.74 -2.21 0.00 0.00 174.62 175.00 3lgg h THR 354 N 2.78 1.37 -3.87 5.08 2.02 -1.20 -3.47 112.91 115.62 3lgg h THR 354 Ca -0.50 -2.22 -0.24 0.00 0.77 0.00 0.00 66.41 64.21 3lgg h THR 354 Cb 1.24 2.60 -0.17 0.00 -1.74 0.00 0.00 68.15 70.09 3lgg h THR 354 CO 0.63 0.66 -0.71 -0.13 0.37 0.00 0.00 175.52 176.35 3lgg s ARG 355 N -3.14 0.72 -0.23 6.66 0.52 -1.25 -4.33 118.95 117.90 3lgg s ARG 355 Ca -0.12 -1.13 -0.06 0.00 -0.52 0.00 0.00 55.73 53.91 3lgg s ARG 355 Cb 0.05 -0.23 -0.02 0.00 0.52 0.00 0.00 34.95 35.26 3lgg s ARG 355 CO 0.87 0.01 0.03 0.42 0.02 0.00 0.00 175.30 176.64 3lgg s ILE 356 N -2.82 4.02 -0.17 1.52 1.01 -0.29 -3.27 121.20 121.20 3lgg s ILE 356 Ca 0.04 -0.28 -0.29 0.00 0.00 0.00 0.00 60.65 60.12 3lgg s ILE 356 Cb -0.00 -2.85 -0.01 0.00 0.01 0.00 0.00 42.46 39.60 3lgg s ILE 356 CO -0.03 0.38 1.23 -0.83 0.00 0.00 0.00 174.94 175.70 3lgg s GLY 357 N 1.42 1.66 0.00 6.18 0.00 0.12 -0.20 107.32 116.50 3lgg s GLY 357 Ca 0.05 0.43 0.00 0.00 0.00 0.00 0.00 44.72 45.20 3lgg s GLY 357 CO 0.02 2.45 0.00 1.42 0.00 0.00 0.00 173.10 176.99 3lgg n HIS 358 N 6.53 0.00 -2.43 1.90 8.25 0.12 -1.42 115.22 128.18 3lgg n HIS 358 Ca 0.14 0.00 -0.14 0.00 -0.26 0.00 0.00 57.72 57.46 3lgg n HIS 358 Cb 0.45 0.00 -0.01 0.00 1.12 0.00 0.00 29.99 31.55 3lgg n HIS 358 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3lgg n GLY 359 N 0.00 -0.50 0.33 -1.41 0.00 -0.66 -4.56 105.19 98.39 3lgg n GLY 359 Ca 0.00 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.14 3lgg n GLY 359 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 3lgg h PHE 360 N 0.00 0.85 -0.22 1.61 3.04 -1.66 -0.59 116.94 119.98 3lgg h PHE 360 Ca -0.33 0.04 0.00 0.00 3.98 0.00 0.00 57.97 61.66 3lgg h PHE 360 Cb 1.24 -0.23 0.00 0.00 2.56 0.00 0.00 35.95 39.52 3lgg h PHE 360 CO 0.68 0.10 0.00 0.00 -2.02 0.00 0.00 178.31 177.06 3lgg n ALA 361 N -2.40 2.48 -0.08 2.41 0.00 -0.81 -4.48 120.51 117.64 3lgg n ALA 361 Ca 0.22 -0.43 -0.08 0.00 0.00 0.00 0.00 53.44 53.15 3lgg n ALA 361 Cb 0.60 -1.02 -0.01 0.00 0.00 0.00 0.00 19.45 19.02 3lgg n ALA 361 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 3lgg h LEU 362 N 1.48 0.16 -0.12 0.00 6.46 -1.40 -2.42 115.31 119.47 3lgg h LEU 362 Ca 0.00 0.02 0.00 0.00 -0.12 0.00 0.00 57.88 57.78 3lgg h LEU 362 Cb 0.34 -0.01 0.00 0.00 -0.73 0.00 0.00 40.66 40.26 3lgg h LEU 362 CO 0.00 0.13 0.00 -1.54 -0.62 0.00 0.00 178.44 176.41 3lgg n SER 363 N -5.00 0.06 -0.29 1.25 3.41 -1.26 -0.82 113.62 110.97 3lgg n SER 363 Ca -0.01 0.52 0.13 0.00 -0.26 0.00 0.00 58.87 59.26 3lgg n SER 363 Cb 0.08 -0.53 0.43 0.00 -0.26 0.00 0.00 64.21 63.93 3lgg n SER 363 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 3lgg n LYS 364 N -1.58 1.03 -3.78 4.33 5.02 -0.91 -4.55 118.16 117.72 3lgg n LYS 364 Ca 0.01 -0.59 -0.29 0.00 -2.02 0.00 0.00 58.31 55.43 3lgg n LYS 364 Cb 0.06 -1.49 -0.12 0.00 -0.02 0.00 0.00 35.03 33.46 3lgg n LYS 364 CO 0.00 0.00 0.00 -1.01 -0.52 0.00 0.00 177.40 175.87 3lgg s HIS 365 N -2.37 2.64 0.27 2.13 3.76 0.00 -5.00 115.29 116.72 3lgg s HIS 365 Ca 0.28 -2.88 -0.02 0.00 -0.15 0.00 0.00 55.06 52.30 3lgg s HIS 365 Cb 0.20 -2.21 0.43 0.00 1.11 0.00 0.00 32.58 32.11 3lgg s HIS 365 CO 0.47 -0.70 1.89 -1.00 -0.85 0.00 0.00 174.74 174.55 3lgg h PRO 366 N 6.06 1.12 -0.45 8.40 0.13 -1.80 -0.63 132.00 144.83 3lgg h PRO 366 Ca 0.07 -0.07 -0.11 0.00 -0.87 0.00 0.00 66.00 65.02 3lgg h PRO 366 Cb 0.86 -0.25 -0.01 0.00 0.13 0.00 0.00 31.00 31.72 3lgg h PRO 366 CO 0.59 0.74 -0.16 0.00 -0.23 0.00 0.00 178.00 178.94 3lgg h ALA 367 N 1.47 0.62 -0.55 -0.56 0.00 -1.94 -0.74 119.26 117.56 3lgg h ALA 367 Ca 0.43 -0.36 -0.11 0.00 0.00 0.00 0.00 54.91 54.86 3lgg h ALA 367 Cb 0.17 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 3lgg h ALA 367 CO -0.17 0.56 -0.09 0.28 0.00 0.00 0.00 179.25 179.83 3lgg h VAL 368 N 0.74 1.27 0.08 0.00 2.07 -1.86 -1.60 116.25 116.95 3lgg h VAL 368 Ca 0.11 -1.25 0.02 0.00 0.82 0.00 0.00 66.70 66.39 3lgg h VAL 368 Cb 0.72 0.95 -0.03 0.00 -1.52 0.00 0.00 31.29 31.42 3lgg h VAL 368 CO 0.06 0.44 -0.19 -0.09 0.02 0.00 0.00 177.57 177.81 3lgg h ARG 369 N 0.91 -0.34 -0.73 1.57 2.43 -0.88 -0.35 114.38 116.99 3lgg h ARG 369 Ca 0.14 0.02 0.06 0.00 -0.81 0.00 0.00 59.98 59.39 3lgg h ARG 369 Cb 0.66 0.08 -0.06 0.00 -0.42 0.00 0.00 29.97 30.23 3lgg h ARG 369 CO 0.05 -0.23 0.43 1.15 -1.51 0.00 0.00 179.97 179.86 3lgg h THR 370 N -0.35 1.00 -0.41 0.20 2.02 -1.08 -1.82 112.91 112.48 3lgg h THR 370 Ca 0.03 -0.27 -0.05 0.00 0.77 0.00 0.00 66.41 66.89 3lgg h THR 370 Cb 0.38 0.14 -0.02 0.00 -1.74 0.00 0.00 68.15 66.92 3lgg h THR 370 CO -0.12 0.15 0.08 0.22 0.37 0.00 0.00 175.52 176.21 3lgg h TYR 371 N 0.80 0.71 -0.30 3.16 5.03 -0.84 -0.18 116.97 125.35 3lgg h TYR 371 Ca 0.32 -0.09 -0.12 0.00 2.58 0.00 0.00 58.73 61.42 3lgg h TYR 371 Cb 0.17 -0.20 -0.01 0.00 1.55 0.00 0.00 36.73 38.24 3lgg h TYR 371 CO -0.06 0.69 -0.31 0.66 -1.32 0.00 0.00 178.16 177.82 3lgg h SER 372 N 0.53 0.65 -0.44 -2.11 4.64 -0.93 -0.76 113.55 115.13 3lgg h SER 372 Ca 0.13 -0.25 -0.03 0.00 -0.47 0.00 0.00 61.79 61.16 3lgg h SER 372 Cb 0.35 -0.18 -0.02 0.00 -0.31 0.00 0.00 62.40 62.24 3lgg h SER 372 CO 0.01 0.92 0.16 -0.25 -0.87 0.00 0.00 176.83 176.79 3lgg h TRP 373 N 0.54 0.69 -0.60 4.77 7.01 -1.13 0.12 115.95 127.35 3lgg h TRP 373 Ca 0.06 -0.06 -0.09 0.00 2.11 0.00 0.00 58.89 60.91 3lgg h TRP 373 Cb 0.80 -0.20 -0.02 0.00 -2.10 0.00 0.00 29.16 27.63 3lgg h TRP 373 CO 0.03 0.61 0.01 0.87 -2.79 0.00 0.00 178.44 177.17 3lgg h LYS 374 N 0.57 1.04 -0.10 2.65 1.57 -0.79 -2.30 116.57 119.21 3lgg h LYS 374 Ca 0.15 -0.32 0.00 0.00 -1.87 0.00 0.00 60.65 58.61 3lgg h LYS 374 Cb 0.23 -0.10 0.00 0.00 0.08 0.00 0.00 32.23 32.44 3lgg h LYS 374 CO -0.01 1.01 0.00 1.63 -0.57 0.00 0.00 179.45 181.51 3lgg n LYS 375 N -4.18 1.26 -4.16 3.15 4.76 -0.31 -4.93 118.16 113.75 3lgg n LYS 375 Ca 0.03 -0.40 -0.30 0.00 -2.87 0.00 0.00 58.31 54.77 3lgg n LYS 375 Cb 0.34 -1.16 -0.05 0.00 -1.84 0.00 0.00 35.03 32.32 3lgg n LYS 375 CO 0.00 0.00 0.00 -3.47 -1.37 0.00 0.00 177.40 172.56 3lgg n ASP 376 N -0.24 -0.40 -4.49 4.39 2.03 -0.69 -4.97 116.55 112.18 3lgg n ASP 376 Ca 0.07 -1.12 -0.40 0.00 0.52 0.00 0.00 54.79 53.86 3lgg n ASP 376 Cb 0.11 -2.41 -0.11 0.00 -0.72 0.00 0.00 41.12 38.00 3lgg n ASP 376 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 3lgg s ILE 377 N -3.96 5.10 0.44 5.18 -1.09 0.34 -5.02 121.20 122.18 3lgg s ILE 377 Ca 0.17 -0.35 -0.14 0.00 -2.23 0.00 0.00 60.65 58.09 3lgg s ILE 377 Cb -0.09 -3.66 -0.08 0.00 -1.58 0.00 0.00 42.46 37.05 3lgg s ILE 377 CO 0.94 -0.05 0.86 -2.16 -1.23 0.00 0.00 174.94 173.31 3lgg s PRO 378 N 1.68 3.91 0.09 2.79 0.04 -1.26 -4.64 135.00 137.62 3lgg s PRO 378 Ca 0.05 0.74 -0.08 0.00 0.04 0.00 0.00 61.00 61.75 3lgg s PRO 378 Cb -0.18 -2.28 -0.06 0.00 0.04 0.00 0.00 34.50 32.03 3lgg s PRO 378 CO 0.09 -0.10 0.38 0.96 0.04 0.00 0.00 177.00 178.38 3lgg s ILE 379 N -2.40 5.13 -0.48 0.56 -4.36 -0.98 -1.14 121.20 117.53 3lgg s ILE 379 Ca 0.55 0.31 -0.15 0.00 -0.26 0.00 0.00 60.65 61.11 3lgg s ILE 379 Cb -0.10 -3.63 0.09 0.00 1.25 0.00 0.00 42.46 40.07 3lgg s ILE 379 CO 0.28 0.23 0.41 -1.61 0.24 0.00 0.00 174.94 174.48 3lgg s GLU 380 N -2.10 2.91 -0.18 0.37 2.02 0.72 -1.28 118.70 121.17 3lgg s GLU 380 Ca 0.35 -1.48 -0.16 0.00 0.02 0.00 0.00 54.97 53.70 3lgg s GLU 380 Cb -0.13 -4.13 -0.04 0.00 0.10 0.00 0.00 34.13 29.93 3lgg s GLU 380 CO 0.19 -1.11 0.37 0.54 0.02 0.00 0.00 175.26 175.28 3lgg s VAL 381 N 1.59 5.23 -0.61 2.63 0.11 -0.09 -0.70 120.40 128.57 3lgg s VAL 381 Ca 0.04 0.69 0.04 0.00 -2.93 0.00 0.00 61.98 59.82 3lgg s VAL 381 Cb -0.26 -3.71 0.16 0.00 -1.53 0.00 0.00 36.38 31.04 3lgg s VAL 381 CO 0.05 0.30 0.41 0.00 -3.33 0.00 0.00 175.10 172.53 3lgg h PRO 383 N 5.75 0.59 -0.42 0.00 0.13 -1.88 -2.49 132.00 133.68 3lgg h PRO 383 Ca 0.11 -0.05 -0.02 0.00 -0.87 0.00 0.00 66.00 65.16 3lgg h PRO 383 Cb 0.82 -0.12 -0.02 0.00 0.13 0.00 0.00 31.00 31.80 3lgg h PRO 383 CO 0.64 0.43 0.17 0.82 -0.23 0.00 0.00 178.00 179.84 3lgg h ILE 384 N 0.57 1.20 -0.28 -3.56 2.04 -1.92 -2.28 117.51 113.28 3lgg h ILE 384 Ca 0.15 -0.60 0.06 0.00 1.00 0.00 0.00 64.86 65.47 3lgg h ILE 384 Cb -0.00 0.81 -0.07 0.00 -0.74 0.00 0.00 36.82 36.82 3lgg h ILE 384 CO -0.03 0.22 -0.15 -1.28 0.00 0.00 0.00 178.15 176.91 3lgg h SER 385 N 0.54 -0.51 -0.44 1.72 0.87 -1.81 -0.08 113.55 113.83 3lgg h SER 385 Ca 0.14 0.12 0.05 0.00 -1.23 0.00 0.00 61.79 60.87 3lgg h SER 385 Cb 0.18 0.27 -0.02 0.00 -0.44 0.00 0.00 62.40 62.39 3lgg h SER 385 CO -0.01 -0.19 0.30 0.78 -0.53 0.00 0.00 176.83 177.17 3lgg h ASN 386 N -0.12 0.35 0.04 6.23 -0.26 -1.14 0.12 115.58 120.78 3lgg h ASN 386 Ca 0.15 -0.00 -0.00 0.00 -0.56 0.00 0.00 56.30 55.88 3lgg h ASN 386 Cb 0.35 -0.08 0.00 0.00 -1.06 0.00 0.00 38.32 37.53 3lgg h ASN 386 CO -0.35 0.23 -0.02 -0.61 -1.06 0.00 0.00 177.43 175.62 3lgg h GLN 387 N 0.40 -0.05 -0.75 0.81 4.15 -0.84 -0.42 115.11 118.41 3lgg h GLN 387 Ca 0.19 0.00 -0.02 0.00 0.77 0.00 0.00 58.65 59.59 3lgg h GLN 387 Cb 0.25 0.01 -0.03 0.00 0.21 0.00 0.00 27.48 27.92 3lgg h GLN 387 CO -0.05 0.60 0.38 0.28 -1.93 0.00 0.00 178.83 178.11 3lgg h VAL 388 N -0.78 1.24 -0.14 2.39 2.07 -0.68 -1.08 116.25 119.27 3lgg h VAL 388 Ca -0.00 -0.64 0.00 0.00 0.82 0.00 0.00 66.70 66.88 3lgg h VAL 388 Cb 0.67 0.28 0.00 0.00 -1.52 0.00 0.00 31.29 30.72 3lgg h VAL 388 CO 0.01 0.27 0.00 0.18 0.02 0.00 0.00 177.57 178.05 3lgg n LEU 389 N -4.42 0.93 -0.92 2.57 4.77 0.37 -4.91 117.00 115.41 3lgg n LEU 389 Ca 0.07 -0.47 -0.10 0.00 -0.03 0.00 0.00 56.01 55.48 3lgg n LEU 389 Cb 0.12 -0.17 -0.03 0.00 -2.33 0.00 0.00 43.42 41.02 3lgg n LEU 389 CO 0.39 0.21 -0.11 0.29 -1.33 0.00 0.00 177.39 176.84 3lgg n LYS 390 N -0.06 -0.74 0.20 3.23 5.02 -0.41 -4.86 118.16 120.54 3lgg n LYS 390 Ca 0.05 0.71 0.06 0.00 -2.02 0.00 0.00 58.31 57.12 3lgg n LYS 390 Cb 0.17 -4.69 0.37 0.00 -0.02 0.00 0.00 35.03 30.86 3lgg n LYS 390 CO 0.00 0.00 0.00 -0.07 -0.52 0.00 0.00 177.40 176.81 3lgg h LEU 391 N 0.00 0.00 -7.00 -0.35 4.07 -1.29 -3.46 115.31 107.28 3lgg h LEU 391 Ca -0.22 0.00 0.01 0.00 0.08 0.00 0.00 57.88 57.75 3lgg h LEU 391 Cb 0.86 0.00 -0.21 0.00 1.08 0.00 0.00 40.66 42.39 3lgg h LEU 391 CO 0.29 0.34 0.03 0.54 -1.08 0.00 0.00 178.44 178.57 3lgg s VAL 392 N -3.68 -0.00 -0.05 1.22 0.11 -1.16 -4.88 120.40 111.96 3lgg s VAL 392 Ca -0.00 0.00 -0.09 0.00 -2.93 0.00 0.00 61.98 58.96 3lgg s VAL 392 Cb 0.11 -0.99 -0.05 0.00 -1.53 0.00 0.00 36.38 33.92 3lgg s VAL 392 CO 0.68 0.00 0.38 0.28 -3.33 0.00 0.00 175.10 173.11 3lgg h SER 393 N 6.61 -0.26 -3.59 3.54 0.02 -1.88 -3.38 113.55 114.62 3lgg h SER 393 Ca -0.30 0.01 -0.70 0.00 -0.84 0.00 0.00 61.79 59.96 3lgg h SER 393 Cb 1.22 0.07 -0.22 0.00 0.14 0.00 0.00 62.40 63.60 3lgg h SER 393 CO 0.14 0.15 -0.48 -0.62 -1.14 0.00 0.00 176.83 174.88 3lgg s ASP 394 N -4.89 5.90 0.29 3.07 -1.08 -1.26 -4.65 116.67 114.04 3lgg s ASP 394 Ca -0.04 -0.79 0.21 0.00 -0.52 0.00 0.00 52.55 51.41 3lgg s ASP 394 Cb 0.00 -2.09 1.07 0.00 -1.46 0.00 0.00 42.92 40.44 3lgg s ASP 394 CO 0.13 -0.35 1.65 0.18 0.52 0.00 0.00 175.17 177.31 3lgg n LEU 395 N 5.07 0.57 0.28 -1.34 4.77 -0.70 -0.03 117.00 125.63 3lgg n LEU 395 Ca -0.12 0.72 0.15 0.00 -0.03 0.00 0.00 56.01 56.73 3lgg n LEU 395 Cb 0.47 -0.74 0.87 0.00 -2.33 0.00 0.00 43.42 41.70 3lgg n LEU 395 CO 0.38 -0.81 1.12 0.03 -1.33 0.00 0.00 177.39 176.79 3lgg h ARG 396 N 0.00 0.00 -0.45 3.23 3.08 -1.77 -2.13 114.38 116.35 3lgg h ARG 396 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3lgg h ARG 396 Cb 0.12 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.17 3lgg h ARG 396 CO 0.00 0.00 0.00 0.09 -1.07 0.00 0.00 179.97 178.99 3lgg n ASN 397 N -3.93 2.45 -4.72 7.04 5.03 0.96 -4.89 115.26 117.20 3lgg n ASN 397 Ca -0.02 -1.98 -0.42 0.00 0.87 0.00 0.00 54.58 53.02 3lgg n ASN 397 Cb 0.12 -0.30 -0.03 0.00 -1.02 0.00 0.00 39.78 38.55 3lgg n ASN 397 CO 0.00 0.00 0.00 -2.28 -1.83 0.00 0.00 177.26 173.15 3lgg s HIS 398 N -1.41 3.00 -0.53 3.10 2.46 -0.80 -4.87 115.29 116.25 3lgg s HIS 398 Ca 0.31 0.52 0.15 0.00 0.47 0.00 0.00 55.06 56.51 3lgg s HIS 398 Cb 0.16 -4.01 0.75 0.00 -0.13 0.00 0.00 32.58 29.36 3lgg s HIS 398 CO 0.21 -3.76 1.45 -0.35 -2.47 0.00 0.00 174.74 169.82 3lgg n PRO 399 N 3.95 0.09 0.25 2.88 -0.04 -1.26 -1.81 135.00 139.07 3lgg n PRO 399 Ca 0.15 0.55 0.15 0.00 -0.04 0.00 0.00 63.50 64.31 3lgg n PRO 399 Cb 0.37 -1.78 0.45 0.00 -0.04 0.00 0.00 33.50 32.50 3lgg n PRO 399 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 3lgg h VAL 400 N 0.00 0.00 -0.85 0.52 2.07 -1.89 -3.15 116.25 112.95 3lgg h VAL 400 Ca 0.00 -0.74 0.16 0.00 0.82 0.00 0.00 66.70 66.95 3lgg h VAL 400 Cb 0.05 1.74 -0.10 0.00 -1.52 0.00 0.00 31.29 31.46 3lgg h VAL 400 CO 0.00 0.00 0.41 0.00 0.02 0.00 0.00 177.57 178.00 3lgg h ALA 401 N 2.00 1.28 -0.71 1.67 0.00 -1.56 0.11 119.26 122.05 3lgg h ALA 401 Ca -0.00 0.11 -0.05 0.00 0.00 0.00 0.00 54.91 54.97 3lgg h ALA 401 Cb 0.74 0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.54 3lgg h ALA 401 CO 0.00 -0.17 0.24 1.15 0.00 0.00 0.00 179.25 180.47 3lgg h THR 402 N 0.54 1.26 -0.20 0.00 2.02 -1.77 -2.49 112.91 112.26 3lgg h THR 402 Ca 0.48 -0.87 -0.13 0.00 0.77 0.00 0.00 66.41 66.67 3lgg h THR 402 Cb 0.75 0.47 -0.01 0.00 -1.74 0.00 0.00 68.15 67.62 3lgg h THR 402 CO -0.41 0.34 -0.41 -0.07 0.37 0.00 0.00 175.52 175.34 3lgg h LEU 403 N 1.04 0.50 -0.74 2.58 4.07 -1.14 -2.74 115.31 118.89 3lgg h LEU 403 Ca 0.23 -0.22 -0.09 0.00 0.08 0.00 0.00 57.88 57.88 3lgg h LEU 403 Cb 0.28 -0.14 -0.02 0.00 1.08 0.00 0.00 40.66 41.86 3lgg h LEU 403 CO -0.01 0.86 -0.03 0.24 -1.08 0.00 0.00 178.44 178.41 3lgg h MET 404 N 0.39 0.93 0.00 1.13 2.86 -0.76 -0.41 114.93 119.07 3lgg h MET 404 Ca 0.03 -0.29 -0.01 0.00 -2.06 0.00 0.00 59.70 57.37 3lgg h MET 404 Cb 0.88 -0.09 -0.00 0.00 0.06 0.00 0.00 31.60 32.46 3lgg h MET 404 CO 0.07 0.94 -0.04 0.00 1.06 0.00 0.00 176.91 178.94 3lgg h ALA 405 N 1.10 1.20 -0.35 6.32 0.00 -1.13 -0.43 119.26 125.96 3lgg h ALA 405 Ca 0.15 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.02 3lgg h ALA 405 Cb 0.55 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.33 3lgg h ALA 405 CO 0.03 0.05 0.00 0.25 0.00 0.00 0.00 179.25 179.58 3lgg n THR 406 N -3.42 0.87 -3.21 0.00 -2.24 -1.13 -3.19 114.28 101.95 3lgg n THR 406 Ca -0.02 -0.93 -0.18 0.00 -2.27 0.00 0.00 64.05 60.64 3lgg n THR 406 Cb 0.17 0.60 0.05 0.00 -2.10 0.00 0.00 70.33 69.05 3lgg n THR 406 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3lgg n GLY 407 N 0.68 -0.23 3.75 3.38 0.00 -0.32 -4.81 105.19 107.64 3lgg n GLY 407 Ca 0.13 0.02 -0.38 0.00 0.00 0.00 0.00 46.02 45.78 3lgg n GLY 407 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 3lgg s HIS 408 N -3.19 2.35 -0.04 1.61 5.04 -0.20 -4.85 115.29 116.01 3lgg s HIS 408 Ca 0.40 1.39 -0.30 0.00 -1.54 0.00 0.00 55.06 55.00 3lgg s HIS 408 Cb -0.17 -3.76 -0.06 0.00 0.04 0.00 0.00 32.58 28.62 3lgg s HIS 408 CO 0.49 -2.77 1.68 -1.25 -2.34 0.00 0.00 174.74 170.55 3lgg s PRO 409 N -2.87 4.18 0.08 2.88 0.04 -1.26 -4.88 135.00 133.16 3lgg s PRO 409 Ca 0.70 2.23 -0.21 0.00 0.04 0.00 0.00 61.00 63.77 3lgg s PRO 409 Cb -0.39 -3.99 0.05 0.00 0.04 0.00 0.00 34.50 30.21 3lgg s PRO 409 CO 0.47 -0.85 0.50 0.00 0.04 0.00 0.00 177.00 177.16 3lgg s MET 410 N 4.02 1.07 0.14 4.56 0.23 -1.26 -2.33 119.30 125.73 3lgg s MET 410 Ca 0.75 -0.36 0.07 0.00 -1.03 0.00 0.00 55.69 55.12 3lgg s MET 410 Cb -0.34 0.49 -0.04 0.00 -1.53 0.00 0.00 34.83 33.40 3lgg s MET 410 CO 0.31 -0.40 -0.16 0.14 -2.03 0.00 0.00 175.02 172.87 3lgg s VAL 411 N -2.87 1.57 -0.15 5.16 -7.23 -0.41 -4.80 120.40 111.66 3lgg s VAL 411 Ca -0.03 -1.82 -0.05 0.00 -1.81 0.00 0.00 61.98 58.27 3lgg s VAL 411 Cb -0.00 -1.69 -0.04 0.00 0.56 0.00 0.00 36.38 35.22 3lgg s VAL 411 CO -0.05 -0.37 0.03 -0.63 -0.31 0.00 0.00 175.10 173.77 3lgg s ILE 412 N -2.10 4.49 0.29 -0.62 -1.09 -1.26 -0.91 121.20 119.99 3lgg s ILE 412 Ca 0.12 -0.15 0.06 0.00 -2.23 0.00 0.00 60.65 58.45 3lgg s ILE 412 Cb -0.05 -2.97 -0.02 0.00 -1.58 0.00 0.00 42.46 37.83 3lgg s ILE 412 CO 0.05 0.51 0.25 -0.24 -1.23 0.00 0.00 174.94 174.28 3lgg n SER 413 N 3.09 -0.64 -0.00 3.58 2.88 -0.62 -4.66 113.62 117.25 3lgg n SER 413 Ca -0.17 -2.89 0.02 0.00 -1.33 0.00 0.00 58.87 54.50 3lgg n SER 413 Cb 0.53 1.49 -0.03 0.00 -0.75 0.00 0.00 64.21 65.45 3lgg n SER 413 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 3lgg n SER 414 N -1.85 2.23 0.00 -3.46 3.41 -1.25 -4.24 113.62 108.46 3lgg n SER 414 Ca 0.06 -0.28 0.00 0.00 -0.26 0.00 0.00 58.87 58.39 3lgg n SER 414 Cb 0.52 1.11 0.00 0.00 -0.26 0.00 0.00 64.21 65.58 3lgg n SER 414 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 3lgg n ASP 415 N -1.39 0.00 -3.16 4.04 2.03 -0.67 -3.21 116.55 114.18 3lgg n ASP 415 Ca -0.00 0.00 -0.18 0.00 0.52 0.00 0.00 54.79 55.13 3lgg n ASP 415 Cb 0.09 0.00 -0.03 0.00 -0.72 0.00 0.00 41.12 40.46 3lgg n ASP 415 CO 0.00 0.00 0.00 0.47 -1.92 0.00 0.00 177.20 175.75 3lgg n ASP 416 N 4.03 0.53 -0.26 1.67 8.00 -1.26 -2.13 116.55 127.13 3lgg n ASP 416 Ca 0.00 -3.01 0.07 0.00 0.71 0.00 0.00 54.79 52.56 3lgg n ASP 416 Cb 0.00 -0.46 0.20 0.00 -0.02 0.00 0.00 41.12 40.84 3lgg n ASP 416 CO 0.00 0.00 0.00 1.55 -0.39 0.00 0.00 177.20 178.36 3lgg h PRO 417 N 3.15 0.29 -0.93 -0.24 0.13 -1.43 -0.60 132.00 132.37 3lgg h PRO 417 Ca 0.08 -0.02 0.19 0.00 -0.87 0.00 0.00 66.00 65.39 3lgg h PRO 417 Cb 0.97 -0.06 -0.08 0.00 0.13 0.00 0.00 31.00 31.95 3lgg h PRO 417 CO 0.47 0.19 0.60 0.00 -0.23 0.00 0.00 178.00 179.03 3lgg h ALA 418 N 1.63 2.04 0.00 -0.56 0.00 -1.48 0.13 119.26 121.02 3lgg h ALA 418 Ca 0.44 0.03 -0.03 0.00 0.00 0.00 0.00 54.91 55.35 3lgg h ALA 418 Cb 0.76 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.49 3lgg h ALA 418 CO -0.51 -0.34 -0.17 0.52 0.00 0.00 0.00 179.25 178.75 3lgg h MET 419 N 0.52 0.00 -0.02 0.00 2.86 -1.29 -3.11 114.93 113.89 3lgg h MET 419 Ca 0.49 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 58.13 3lgg h MET 419 Cb 1.06 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.72 3lgg h MET 419 CO -0.23 0.17 -0.45 1.19 1.06 0.00 0.00 176.91 178.65 3lgg n PHE 420 N -3.24 0.00 -0.86 -0.22 3.72 -0.47 -1.41 117.46 114.99 3lgg n PHE 420 Ca 0.01 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.41 3lgg n PHE 420 Cb 0.46 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.00 3lgg n PHE 420 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3lgg n GLY 421 N 1.41 0.47 4.03 1.37 0.00 -0.78 -4.76 105.19 106.93 3lgg n GLY 421 Ca 0.09 -0.88 -0.19 0.00 0.00 0.00 0.00 46.02 45.04 3lgg n GLY 421 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3lgg s ALA 422 N -2.00 4.66 -0.10 4.61 0.00 0.32 -4.98 121.76 124.26 3lgg s ALA 422 Ca 0.00 -2.04 -0.05 0.00 0.00 0.00 0.00 51.96 49.87 3lgg s ALA 422 Cb 0.00 -1.51 0.05 0.00 0.00 0.00 0.00 23.12 21.66 3lgg s ALA 422 CO 0.00 -0.76 0.24 0.21 0.00 0.00 0.00 175.76 175.45 3lgg s LYS 423 N -4.61 0.19 7.90 0.00 2.20 -1.26 -3.53 119.74 120.62 3lgg s LYS 423 Ca 0.61 0.53 0.00 0.00 -0.36 0.00 0.00 55.97 56.75 3lgg s LYS 423 Cb -0.07 -0.12 0.00 0.00 -1.51 0.00 0.00 37.83 36.13 3lgg s LYS 423 CO 0.38 -0.17 0.00 0.41 -0.36 0.00 0.00 175.35 175.61 3lgg n GLY 424 N 4.30 3.69 0.00 5.54 0.00 -1.26 -4.08 105.19 113.38 3lgg n GLY 424 Ca -0.24 -0.05 0.00 0.00 0.00 0.00 0.00 46.02 45.73 3lgg n GLY 424 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 3lgg n LEU 425 N 0.00 0.00 -0.01 0.99 7.94 -1.26 -4.64 117.00 120.03 3lgg n LEU 425 Ca 0.00 -0.23 -0.10 0.00 -1.11 0.00 0.00 56.01 54.57 3lgg n LEU 425 Cb 0.00 0.00 0.04 0.00 0.53 0.00 0.00 43.42 43.99 3lgg n LEU 425 CO 0.00 0.00 0.48 0.28 -1.11 0.00 0.00 177.39 177.04 3lgg h SER 426 N 0.00 0.66 -0.52 1.96 0.02 -1.89 -2.23 113.55 111.55 3lgg h SER 426 Ca 0.00 -0.35 0.01 0.00 -0.84 0.00 0.00 61.79 60.61 3lgg h SER 426 Cb 0.00 -0.19 -0.03 0.00 0.14 0.00 0.00 62.40 62.32 3lgg h SER 426 CO 0.00 1.07 0.34 1.88 -1.14 0.00 0.00 176.83 178.99 3lgg h TYR 427 N 0.46 0.65 -0.24 3.45 -1.99 -1.89 -0.01 116.97 117.40 3lgg h TYR 427 Ca 0.01 0.02 -0.12 0.00 2.00 0.00 0.00 58.73 60.63 3lgg h TYR 427 Cb 1.09 -0.22 -0.01 0.00 2.00 0.00 0.00 36.73 39.59 3lgg h TYR 427 CO 0.05 0.40 -0.37 -0.44 -0.00 0.00 0.00 178.16 177.80 3lgg h ASP 428 N 0.69 0.56 -0.31 3.88 3.32 -1.87 -2.05 116.42 120.65 3lgg h ASP 428 Ca 0.20 -0.24 -0.05 0.00 0.02 0.00 0.00 57.03 56.96 3lgg h ASP 428 Cb -0.06 -0.16 -0.02 0.00 0.22 0.00 0.00 39.33 39.31 3lgg h ASP 428 CO -0.05 0.88 0.05 -0.26 -1.72 0.00 0.00 179.24 178.14 3lgg h PHE 429 N 0.45 0.62 -0.20 4.55 -1.00 -1.20 -1.92 116.94 118.24 3lgg h PHE 429 Ca 0.05 -0.06 -0.01 0.00 2.81 0.00 0.00 57.97 60.76 3lgg h PHE 429 Cb 0.85 -0.18 -0.01 0.00 3.61 0.00 0.00 35.95 40.22 3lgg h PHE 429 CO 0.03 0.57 0.10 -0.92 -1.61 0.00 0.00 178.31 176.49 3lgg h TYR 430 N 0.59 0.29 -0.51 -0.55 5.03 -0.50 -1.15 116.97 120.17 3lgg h TYR 430 Ca 0.13 -0.01 -0.02 0.00 2.58 0.00 0.00 58.73 61.40 3lgg h TYR 430 Cb 0.29 -0.09 -0.02 0.00 1.55 0.00 0.00 36.73 38.46 3lgg h TYR 430 CO 0.01 0.28 0.22 0.93 -1.32 0.00 0.00 178.16 178.29 3lgg h GLU 431 N 0.21 0.74 0.18 1.82 4.39 -1.15 0.86 114.58 121.63 3lgg h GLU 431 Ca 0.07 -0.12 -0.01 0.00 0.34 0.00 0.00 59.36 59.64 3lgg h GLU 431 Cb 0.10 -0.13 0.00 0.00 -0.10 0.00 0.00 28.75 28.62 3lgg h GLU 431 CO -0.01 0.64 -0.08 0.28 -1.16 0.00 0.00 179.01 178.68 3lgg h VAL 432 N 0.67 0.89 -0.35 3.13 2.07 -1.34 0.26 116.25 121.57 3lgg h VAL 432 Ca 0.17 -0.28 -0.12 0.00 0.82 0.00 0.00 66.70 67.29 3lgg h VAL 432 Cb 0.16 1.06 -0.01 0.00 -1.52 0.00 0.00 31.29 30.97 3lgg h VAL 432 CO -0.02 0.07 -0.28 0.15 0.02 0.00 0.00 177.57 177.50 3lgg h PHE 433 N -0.37 0.86 0.04 1.57 3.57 -1.00 0.55 116.94 122.16 3lgg h PHE 433 Ca -0.02 -0.21 -0.37 0.00 3.53 0.00 0.00 57.97 60.89 3lgg h PHE 433 Cb 0.29 -0.20 -0.05 0.00 2.79 0.00 0.00 35.95 38.78 3lgg h PHE 433 CO -0.03 0.94 -2.22 -1.33 -2.23 0.00 0.00 178.31 173.45 3lgg n MET 434 N -4.09 0.69 -0.07 1.11 2.81 0.28 -4.37 117.12 113.48 3lgg n MET 434 Ca -0.01 0.18 -0.06 0.00 -1.81 0.00 0.00 57.70 56.00 3lgg n MET 434 Cb 0.46 -1.62 -0.02 0.00 -0.71 0.00 0.00 33.22 31.34 3lgg n MET 434 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3lgg n GLY 435 N 2.01 -0.68 0.18 3.03 0.00 0.81 -4.28 105.19 106.26 3lgg n GLY 435 Ca -0.36 -0.23 -0.17 0.00 0.00 0.00 0.00 46.02 45.26 3lgg n GLY 435 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 3lgg h ILE 436 N -0.86 1.35 0.00 -0.61 2.04 -1.08 -3.29 117.51 115.06 3lgg h ILE 436 Ca 0.00 -2.00 0.00 0.00 1.00 0.00 0.00 64.86 63.86 3lgg h ILE 436 Cb 0.69 2.31 0.00 0.00 -0.74 0.00 0.00 36.82 39.08 3lgg h ILE 436 CO 0.00 0.61 0.00 1.23 0.00 0.00 0.00 178.15 179.99 3lgg h GLY 437 N 0.18 0.00 -0.47 5.37 0.00 -0.13 -3.39 103.07 104.63 3lgg h GLY 437 Ca -0.07 0.00 0.06 0.00 0.00 0.00 0.00 47.33 47.32 3lgg h GLY 437 CO 0.14 0.00 -0.08 0.61 0.00 0.00 0.00 176.54 177.21 3lgg n GLY 438 N 0.25 -2.20 0.25 4.60 0.00 -1.24 -3.86 105.19 103.00 3lgg n GLY 438 Ca 0.02 -1.47 0.12 0.00 0.00 0.00 0.00 46.02 44.68 3lgg n GLY 438 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 173.32 175.30 3lgg h MET 439 N 0.00 0.00 -0.01 1.61 4.05 -1.88 -2.85 114.93 115.85 3lgg h MET 439 Ca 0.00 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.42 3lgg h MET 439 Cb 0.19 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 30.99 3lgg h MET 439 CO 0.00 0.16 -0.15 1.63 0.23 0.00 0.00 176.91 178.78 3lgg n LYS 440 N -3.51 1.18 -2.00 0.39 4.76 -1.26 -4.83 118.16 112.89 3lgg n LYS 440 Ca -0.01 -0.69 -0.42 0.00 -2.87 0.00 0.00 58.31 54.32 3lgg n LYS 440 Cb 0.31 -1.49 -0.03 0.00 -1.84 0.00 0.00 35.03 31.99 3lgg n LYS 440 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3lgg s ALA 441 N -2.29 3.67 0.00 7.82 0.00 -1.08 -4.98 121.76 124.90 3lgg s ALA 441 Ca 0.30 1.16 0.00 0.00 0.00 0.00 0.00 51.96 53.42 3lgg s ALA 441 Cb 0.20 -3.65 0.00 0.00 0.00 0.00 0.00 23.12 19.67 3lgg s ALA 441 CO 0.44 -0.98 0.00 -0.40 0.00 0.00 0.00 175.76 174.82 3lgg n ASP 442 N 5.20 1.34 0.24 0.00 5.68 -1.26 -4.99 116.55 122.76 3lgg n ASP 442 Ca 0.15 -0.17 0.08 0.00 -0.50 0.00 0.00 54.79 54.35 3lgg n ASP 442 Cb 0.41 0.00 0.61 0.00 -1.14 0.00 0.00 41.12 40.99 3lgg n ASP 442 CO 0.00 0.00 0.00 0.25 -1.33 0.00 0.00 177.20 176.12 3lgg h LEU 443 N 0.00 0.00 -0.32 -2.12 5.85 -1.94 -2.44 115.31 114.35 3lgg h LEU 443 Ca 0.00 0.00 -0.04 0.00 0.84 0.00 0.00 57.88 58.68 3lgg h LEU 443 Cb 0.00 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.02 3lgg h LEU 443 CO 0.00 0.15 0.05 0.03 -0.34 0.00 0.00 178.44 178.33 3lgg h ARG 444 N 0.00 0.53 -0.26 1.25 3.08 -1.92 -0.68 114.38 116.37 3lgg h ARG 444 Ca -0.00 -0.14 0.06 0.00 0.07 0.00 0.00 59.98 59.97 3lgg h ARG 444 Cb 0.31 -0.06 -0.07 0.00 0.08 0.00 0.00 29.97 30.24 3lgg h ARG 444 CO 0.02 0.62 -0.17 1.15 -1.07 0.00 0.00 179.97 180.52 3lgg h THR 445 N 0.35 0.52 -0.03 2.04 2.02 -1.53 0.41 112.91 116.69 3lgg h THR 445 Ca 0.10 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.28 3lgg h THR 445 Cb 0.35 0.52 -0.00 0.00 -1.74 0.00 0.00 68.15 67.27 3lgg h THR 445 CO 0.01 0.00 0.02 -0.07 0.37 0.00 0.00 175.52 175.84 3lgg h LEU 446 N -0.15 0.03 -0.33 2.58 3.38 -1.37 -1.58 115.31 117.87 3lgg h LEU 446 Ca 0.14 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.12 3lgg h LEU 446 Cb 0.37 -0.01 -0.02 0.00 0.09 0.00 0.00 40.66 41.09 3lgg h LEU 446 CO -0.35 0.02 0.21 0.50 0.09 0.00 0.00 178.44 178.91 3lgg h LYS 447 N 0.04 0.43 -0.56 1.13 3.64 -0.89 -0.63 116.57 119.73 3lgg h LYS 447 Ca 0.01 -0.03 0.06 0.00 -1.27 0.00 0.00 60.65 59.42 3lgg h LYS 447 Cb -0.00 -0.10 -0.05 0.00 -0.41 0.00 0.00 32.23 31.67 3lgg h LYS 447 CO -0.01 0.29 0.27 0.37 -2.27 0.00 0.00 179.45 178.11 3lgg h GLN 448 N 0.44 0.50 -0.42 1.90 5.75 -0.80 -1.13 115.11 121.35 3lgg h GLN 448 Ca 0.12 -0.03 -0.07 0.00 -0.15 0.00 0.00 58.65 58.52 3lgg h GLN 448 Cb -0.04 -0.11 -0.02 0.00 1.07 0.00 0.00 27.48 28.38 3lgg h GLN 448 CO -0.03 0.33 -0.04 -0.07 -2.65 0.00 0.00 178.83 176.38 3lgg h LEU 449 N 0.52 0.67 -0.27 -2.39 3.38 -0.77 0.14 115.31 116.58 3lgg h LEU 449 Ca 0.25 -0.16 -0.02 0.00 0.09 0.00 0.00 57.88 58.04 3lgg h LEU 449 Cb 0.19 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.75 3lgg h LEU 449 CO -0.19 0.76 0.08 0.00 0.09 0.00 0.00 178.44 179.19 3lgg h ALA 450 N 1.31 0.35 -0.31 1.53 0.00 -0.76 -2.95 119.26 118.43 3lgg h ALA 450 Ca 0.12 -0.15 -0.18 0.00 0.00 0.00 0.00 54.91 54.71 3lgg h ALA 450 Cb 0.46 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.15 3lgg h ALA 450 CO 0.02 -0.01 -0.50 0.52 0.00 0.00 0.00 179.25 179.28 3lgg h MET 451 N 0.27 0.88 -0.99 0.00 2.86 -0.96 -2.88 114.93 114.12 3lgg h MET 451 Ca 0.09 -0.53 0.21 0.00 -2.06 0.00 0.00 59.70 57.41 3lgg h MET 451 Cb 0.24 0.05 -0.10 0.00 0.06 0.00 0.00 31.60 31.86 3lgg h MET 451 CO -0.00 1.17 0.62 -0.91 1.06 0.00 0.00 176.91 178.85 3lgg h ASN 452 N 0.69 0.64 1.14 1.22 2.35 -0.75 -0.25 115.58 120.61 3lgg h ASN 452 Ca 0.03 0.08 0.00 0.00 -0.55 0.00 0.00 56.30 55.86 3lgg h ASN 452 Cb 1.10 -0.03 0.00 0.00 0.05 0.00 0.00 38.32 39.44 3lgg h ASN 452 CO 0.11 0.21 0.00 0.77 -1.65 0.00 0.00 177.43 176.88 3lgg h SER 453 N 0.61 0.00 0.07 5.81 4.64 -1.32 0.12 113.55 123.48 3lgg h SER 453 Ca 0.56 0.00 -0.24 0.00 -0.47 0.00 0.00 61.79 61.63 3lgg h SER 453 Cb 1.08 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.16 3lgg h SER 453 CO -0.32 0.00 -1.28 0.40 -0.87 0.00 0.00 176.83 174.76 3lgg h ILE 454 N 0.00 1.04 -0.51 0.95 2.04 -1.25 -3.29 117.51 116.49 3lgg h ILE 454 Ca 0.00 -2.33 0.05 0.00 1.00 0.00 0.00 64.86 63.58 3lgg h ILE 454 Cb 0.57 2.62 -0.05 0.00 -0.74 0.00 0.00 36.82 39.23 3lgg h ILE 454 CO 0.00 0.60 0.24 0.50 0.00 0.00 0.00 178.15 179.49 3lgg h LYS 455 N -0.53 0.45 -0.44 2.37 3.64 -0.78 -2.98 116.57 118.31 3lgg h LYS 455 Ca -0.30 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.06 3lgg h LYS 455 Cb 1.58 -0.10 0.00 0.00 -0.41 0.00 0.00 32.23 33.30 3lgg h LYS 455 CO -0.02 0.30 0.00 0.66 -2.27 0.00 0.00 179.45 178.12 3lgg n TYR 456 N -4.91 0.58 -1.22 1.91 4.01 0.40 -4.89 117.16 113.05 3lgg n TYR 456 Ca 0.05 -0.29 -0.29 0.00 -0.16 0.00 0.00 57.90 57.21 3lgg n TYR 456 Cb 0.15 0.00 0.18 0.00 -0.31 0.00 0.00 39.34 39.36 3lgg n TYR 456 CO 0.00 0.00 0.00 -1.54 -0.46 0.00 0.00 176.86 174.86 3lgg s SER 457 N -1.18 2.62 -0.11 7.72 1.04 -1.13 -4.97 113.70 117.69 3lgg s SER 457 Ca 0.35 1.12 0.17 0.00 0.48 0.00 0.00 55.95 58.07 3lgg s SER 457 Cb 0.19 -1.76 0.69 0.00 0.10 0.00 0.00 66.02 65.24 3lgg s SER 457 CO 0.26 -3.13 1.58 0.35 0.98 0.00 0.00 173.24 173.28 3lgg n THR 458 N -4.16 1.75 -1.39 2.02 -2.24 -1.26 -4.96 114.28 104.04 3lgg n THR 458 Ca 0.05 -1.11 -0.32 0.00 -2.27 0.00 0.00 64.05 60.40 3lgg n THR 458 Cb 0.58 0.07 0.09 0.00 -2.10 0.00 0.00 70.33 68.97 3lgg n THR 458 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 3lgg s LEU 459 N -1.79 3.19 0.65 3.22 1.43 -1.26 -5.01 118.68 119.11 3lgg s LEU 459 Ca 0.48 2.04 -0.17 0.00 -1.03 0.00 0.00 54.13 55.45 3lgg s LEU 459 Cb 0.31 -4.55 -0.01 0.00 0.03 0.00 0.00 46.19 41.98 3lgg s LEU 459 CO 0.23 -2.09 1.22 -0.76 0.23 0.00 0.00 176.35 175.18 3lgg s LEU 460 N -5.49 3.53 0.37 1.79 1.43 -1.26 -4.78 118.68 114.27 3lgg s LEU 460 Ca 0.67 2.41 0.08 0.00 -1.03 0.00 0.00 54.13 56.25 3lgg s LEU 460 Cb -0.21 -4.60 0.80 0.00 0.03 0.00 0.00 46.19 42.21 3lgg s LEU 460 CO 0.49 -1.89 1.94 -0.33 0.23 0.00 0.00 176.35 176.79 3lgg h GLU 461 N 0.41 0.67 -0.03 1.70 4.39 -1.99 0.14 114.58 119.88 3lgg h GLU 461 Ca -0.50 -0.04 -0.14 0.00 0.34 0.00 0.00 59.36 59.03 3lgg h GLU 461 Cb 1.30 -0.15 -0.02 0.00 -0.10 0.00 0.00 28.75 29.79 3lgg h GLU 461 CO 0.53 0.44 -0.61 0.66 -1.16 0.00 0.00 179.01 178.88 3lgg h SER 462 N 0.69 0.12 0.08 1.42 4.64 -2.00 -2.32 113.55 116.18 3lgg h SER 462 Ca 0.34 -0.07 -0.16 0.00 -0.47 0.00 0.00 61.79 61.43 3lgg h SER 462 Cb 0.41 -0.03 -0.01 0.00 -0.31 0.00 0.00 62.40 62.46 3lgg h SER 462 CO -0.12 0.70 -0.56 -0.33 -0.87 0.00 0.00 176.83 175.64 3lgg h GLU 463 N 0.08 0.50 -0.65 4.77 5.08 -1.45 -2.85 114.58 120.06 3lgg h GLU 463 Ca -0.01 -0.32 0.00 0.00 -1.00 0.00 0.00 59.36 58.03 3lgg h GLU 463 Cb 1.09 0.04 -0.03 0.00 0.50 0.00 0.00 28.75 30.35 3lgg h GLU 463 CO 0.09 0.93 0.42 0.87 -1.00 0.00 0.00 179.01 180.32 3lgg h LYS 464 N 0.39 0.86 -0.15 2.33 1.57 -0.61 -0.95 116.57 120.02 3lgg h LYS 464 Ca 0.00 -0.06 0.02 0.00 -1.87 0.00 0.00 60.65 58.75 3lgg h LYS 464 Cb 1.10 -0.19 -0.02 0.00 0.08 0.00 0.00 32.23 33.20 3lgg h LYS 464 CO 0.10 0.58 -0.00 -0.91 -0.57 0.00 0.00 179.45 178.66 3lgg h ASN 465 N 0.88 -0.06 -0.89 0.86 2.35 -1.41 0.25 115.58 117.56 3lgg h ASN 465 Ca 0.24 0.03 0.04 0.00 -0.55 0.00 0.00 56.30 56.06 3lgg h ASN 465 Cb -0.08 0.06 -0.05 0.00 0.05 0.00 0.00 38.32 38.29 3lgg h ASN 465 CO -0.05 -0.01 0.58 0.74 -1.65 0.00 0.00 177.43 177.04 3lgg h THR 466 N 0.05 1.13 -0.11 2.81 2.02 -1.34 -0.01 112.91 117.46 3lgg h THR 466 Ca 0.07 -0.38 -0.01 0.00 0.77 0.00 0.00 66.41 66.86 3lgg h THR 466 Cb 0.09 -0.07 -0.00 0.00 -1.74 0.00 0.00 68.15 66.42 3lgg h THR 466 CO -0.12 0.20 0.05 0.15 0.37 0.00 0.00 175.52 176.17 3lgg h PHE 467 N 1.11 0.17 -0.59 3.16 3.04 -0.80 -1.82 116.94 121.21 3lgg h PHE 467 Ca 0.36 -0.01 0.05 0.00 3.98 0.00 0.00 57.97 62.35 3lgg h PHE 467 Cb 0.03 -0.05 -0.05 0.00 2.56 0.00 0.00 35.95 38.44 3lgg h PHE 467 CO -0.02 0.26 0.32 1.98 -2.02 0.00 0.00 178.31 178.83 3lgg h MET 468 N 0.03 0.58 -0.13 1.11 4.05 -0.12 0.21 114.93 120.66 3lgg h MET 468 Ca 0.04 -0.04 0.04 0.00 -0.28 0.00 0.00 59.70 59.47 3lgg h MET 468 Cb 0.16 -0.13 -0.05 0.00 -0.80 0.00 0.00 31.60 30.78 3lgg h MET 468 CO -0.00 0.39 -0.16 1.49 0.23 0.00 0.00 176.91 178.85 3lgg h GLU 469 N 0.60 -0.20 -0.39 0.39 4.57 -0.85 0.15 114.58 118.86 3lgg h GLU 469 Ca 0.26 0.01 -0.02 0.00 -1.18 0.00 0.00 59.36 58.44 3lgg h GLU 469 Cb 0.16 0.04 -0.02 0.00 -0.16 0.00 0.00 28.75 28.77 3lgg h GLU 469 CO -0.17 -0.13 0.17 0.82 -1.18 0.00 0.00 179.01 178.52 3lgg h ILE 470 N -0.20 1.18 -0.63 2.32 2.04 -1.04 -3.00 117.51 118.19 3lgg h ILE 470 Ca 0.10 -0.55 -0.03 0.00 1.00 0.00 0.00 64.86 65.38 3lgg h ILE 470 Cb 0.34 0.82 -0.03 0.00 -0.74 0.00 0.00 36.82 37.22 3lgg h ILE 470 CO -0.25 0.20 0.27 -0.25 0.00 0.00 0.00 178.15 178.11 3lgg h TRP 471 N 0.48 0.94 -0.97 1.37 7.01 -0.73 -2.82 115.95 121.22 3lgg h TRP 471 Ca 0.13 -0.06 0.04 0.00 2.11 0.00 0.00 58.89 61.11 3lgg h TRP 471 Cb 0.16 -0.28 -0.06 0.00 -2.10 0.00 0.00 29.16 26.87 3lgg h TRP 471 CO -0.01 0.73 0.63 -0.22 -2.79 0.00 0.00 178.44 176.79 3lgg h LYS 472 N 0.87 1.16 -0.45 2.65 1.63 -0.64 0.15 116.57 121.95 3lgg h LYS 472 Ca 0.21 -0.07 -0.08 0.00 -0.85 0.00 0.00 60.65 59.87 3lgg h LYS 472 Cb 0.18 -0.26 -0.02 0.00 -0.60 0.00 0.00 32.23 31.53 3lgg h LYS 472 CO -0.02 0.77 -0.01 0.87 -3.45 0.00 0.00 179.45 177.61 3lgg h LYS 473 N 1.20 0.80 -0.24 1.90 1.57 -1.44 -0.88 116.57 119.48 3lgg h LYS 473 Ca 0.40 -0.26 -0.06 0.00 -1.87 0.00 0.00 60.65 58.85 3lgg h LYS 473 Cb 0.05 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.27 3lgg h LYS 473 CO -0.14 0.87 -0.11 0.00 -0.57 0.00 0.00 179.45 179.50 3lgg h ARG 474 N 0.65 0.39 0.12 3.15 3.08 -1.20 -2.71 114.38 117.86 3lgg h ARG 474 Ca 0.13 -0.10 -0.01 0.00 0.07 0.00 0.00 59.98 60.07 3lgg h ARG 474 Cb 0.52 -0.05 0.00 0.00 0.08 0.00 0.00 29.97 30.52 3lgg h ARG 474 CO 0.03 0.51 -0.06 2.35 -1.07 0.00 0.00 179.97 181.73 3lgg h TRP 475 N 0.37 -0.15 -0.69 3.04 2.91 -0.33 -1.52 115.95 119.59 3lgg h TRP 475 Ca 0.07 -0.00 0.09 0.00 1.13 0.00 0.00 58.89 60.18 3lgg h TRP 475 Cb 0.43 0.05 -0.07 0.00 -0.51 0.00 0.00 29.16 29.06 3lgg h TRP 475 CO 0.01 0.12 0.32 -0.44 -1.03 0.00 0.00 178.44 177.43 3lgg h ASP 476 N -0.42 0.41 -0.71 2.65 3.32 -1.15 0.16 116.42 120.68 3lgg h ASP 476 Ca -0.02 0.06 0.02 0.00 0.02 0.00 0.00 57.03 57.11 3lgg h ASP 476 Cb 0.34 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 39.85 3lgg h ASP 476 CO 0.03 0.23 0.46 0.50 -1.72 0.00 0.00 179.24 178.74 3lgg h LYS 477 N 0.55 0.91 -0.18 3.56 1.63 -1.43 -0.99 116.57 120.62 3lgg h LYS 477 Ca 0.34 -0.05 -0.01 0.00 -0.85 0.00 0.00 60.65 60.08 3lgg h LYS 477 Cb 0.37 -0.20 -0.01 0.00 -0.60 0.00 0.00 32.23 31.79 3lgg h LYS 477 CO -0.28 0.60 0.08 0.35 -3.45 0.00 0.00 179.45 176.75 3lgg h PHE 478 N 0.93 0.27 -0.48 1.91 3.57 -0.31 -2.23 116.94 120.61 3lgg h PHE 478 Ca 0.27 -0.02 0.07 0.00 3.53 0.00 0.00 57.97 61.83 3lgg h PHE 478 Cb -0.06 -0.08 -0.06 0.00 2.79 0.00 0.00 35.95 38.53 3lgg h PHE 478 CO -0.03 0.32 0.14 0.82 -2.23 0.00 0.00 178.31 177.33 3lgg h ILE 479 N 0.14 0.79 -0.63 1.41 1.08 -0.41 -1.83 117.51 118.06 3lgg h ILE 479 Ca 0.06 -0.10 -0.06 0.00 -0.39 0.00 0.00 64.86 64.37 3lgg h ILE 479 Cb 0.16 0.47 -0.03 0.00 -3.07 0.00 0.00 36.82 34.35 3lgg h ILE 479 CO -0.01 0.05 0.16 0.00 -0.69 0.00 0.00 178.15 177.66 3lgg h ALA 480 N 1.35 1.09 0.36 1.87 0.00 -1.08 -0.78 119.26 122.06 3lgg h ALA 480 Ca 0.24 -0.22 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 3lgg h ALA 480 Cb 0.28 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.83 3lgg h ALA 480 CO -0.27 0.61 -0.17 -0.44 0.00 0.00 0.00 179.25 178.97 3lgg h ASP 481 N 0.94 -0.41 -0.17 0.00 3.32 -1.02 -2.80 116.42 116.28 3lgg h ASP 481 Ca 0.20 -0.03 -0.08 0.00 0.02 0.00 0.00 57.03 57.14 3lgg h ASP 481 Cb 0.33 0.11 -0.02 0.00 0.22 0.00 0.00 39.33 39.97 3lgg h ASP 481 CO -0.00 -0.23 -0.13 0.58 -1.72 0.00 0.00 179.24 177.74 3lgg h VAL 482 N -0.55 1.24 0.00 -1.35 2.07 -1.19 -0.66 116.25 115.80 3lgg h VAL 482 Ca -0.05 -1.06 -0.01 0.00 0.82 0.00 0.00 66.70 66.40 3lgg h VAL 482 Cb 0.41 1.14 -0.00 0.00 -1.52 0.00 0.00 31.29 31.32 3lgg h VAL 482 CO 0.08 0.35 -0.03 0.00 0.02 0.00 0.00 177.57 177.99 3lgg h ALA 483 N 1.37 1.06 0.00 1.67 0.00 -1.15 -3.45 119.26 118.75 3lgg h ALA 483 Ca 0.09 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.98 3lgg h ALA 483 Cb 0.52 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.31 3lgg h ALA 483 CO 0.03 0.03 0.00 2.41 0.00 0.00 0.00 179.25 181.73