#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1s46 s PRO 2 N 0.00 2.98 0.45 1.43 0.04 -1.26 -5.09 135.00 133.55 1s46 s PRO 2 Ca 0.00 1.00 0.08 0.00 0.04 0.00 0.00 61.00 62.11 1s46 s PRO 2 Cb 0.00 -1.99 0.00 0.00 0.04 0.00 0.00 34.50 32.55 1s46 s PRO 2 CO 0.00 -1.07 0.47 0.54 0.04 0.00 0.00 177.00 176.98 1s46 s ASN 3 N -3.64 5.17 0.15 6.66 2.20 -1.26 -5.03 114.94 119.20 1s46 s ASN 3 Ca 0.59 -0.72 -0.15 0.00 -0.94 0.00 0.00 52.86 51.63 1s46 s ASN 3 Cb -0.14 -0.40 0.03 0.00 -2.00 0.00 0.00 41.25 38.73 1s46 s ASN 3 CO 0.52 -0.80 1.76 -1.28 -2.94 0.00 0.00 177.10 174.36 1s46 h SER 4 N 0.81 0.57 -0.85 3.54 0.87 -1.96 -2.73 113.55 113.80 1s46 h SER 4 Ca -0.39 -0.09 -0.02 0.00 -1.23 0.00 0.00 61.79 60.05 1s46 h SER 4 Cb 1.28 -0.15 -0.04 0.00 -0.44 0.00 0.00 62.40 63.05 1s46 h SER 4 CO 0.52 0.50 0.44 -0.61 -0.53 0.00 0.00 176.83 177.15 1s46 h GLN 5 N 0.60 1.20 0.20 2.24 4.15 -1.96 -1.86 115.11 119.68 1s46 h GLN 5 Ca 0.16 -0.16 -0.01 0.00 0.77 0.00 0.00 58.65 59.42 1s46 h GLN 5 Cb 0.05 -0.23 0.00 0.00 0.21 0.00 0.00 27.48 27.52 1s46 h GLN 5 CO -0.03 0.90 -0.10 -0.92 -1.93 0.00 0.00 178.83 176.76 1s46 h TYR 6 N 1.19 -0.25 0.00 3.99 3.20 -1.96 -2.99 116.97 120.15 1s46 h TYR 6 Ca 0.30 -0.01 -0.03 0.00 3.14 0.00 0.00 58.73 62.13 1s46 h TYR 6 Cb 0.07 0.08 -0.00 0.00 1.54 0.00 0.00 36.73 38.41 1s46 h TYR 6 CO 0.01 -0.00 -0.15 -0.07 -1.64 0.00 0.00 178.16 176.30 1s46 h LEU 7 N -0.47 0.00 -0.83 2.82 3.38 -1.41 -2.56 115.31 116.24 1s46 h LEU 7 Ca -0.03 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.82 1s46 h LEU 7 Cb 0.36 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.09 1s46 h LEU 7 CO 0.05 0.15 -0.58 0.11 0.09 0.00 0.00 178.44 178.25 1s46 h LYS 8 N 0.00 0.00 0.00 1.13 1.57 -1.25 -1.98 116.57 116.04 1s46 h LYS 8 Ca -0.00 0.00 -0.10 0.00 -1.87 0.00 0.00 60.65 58.68 1s46 h LYS 8 Cb 0.31 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.60 1s46 h LYS 8 CO 0.02 0.58 -0.47 1.79 -0.57 0.00 0.00 179.45 180.80 1s46 h THR 9 N 0.00 0.85 0.00 -0.16 1.35 -1.32 -2.90 112.91 110.73 1s46 h THR 9 Ca -0.01 -2.07 -0.14 0.00 -0.55 0.00 0.00 66.41 63.64 1s46 h THR 9 Cb 1.03 2.32 -0.02 0.00 -1.73 0.00 0.00 68.15 69.76 1s46 h THR 9 CO 0.08 0.46 -0.69 0.03 -0.25 0.00 0.00 175.52 175.15 1s46 h ARG 10 N 0.00 0.00 -0.10 4.72 2.47 -1.32 -3.02 114.38 117.14 1s46 h ARG 10 Ca -0.00 0.00 -0.20 0.00 -1.26 0.00 0.00 59.98 58.52 1s46 h ARG 10 Cb 1.29 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.61 1s46 h ARG 10 CO 0.06 0.69 -0.75 0.82 0.56 0.00 0.00 179.97 181.34 1s46 h ILE 11 N 0.00 1.34 0.00 2.04 2.04 -1.30 -3.13 117.51 118.50 1s46 h ILE 11 Ca -0.01 -2.09 0.00 0.00 1.00 0.00 0.00 64.86 63.76 1s46 h ILE 11 Cb 1.47 2.07 0.00 0.00 -0.74 0.00 0.00 36.82 39.63 1s46 h ILE 11 CO 0.09 0.64 0.00 0.18 0.00 0.00 0.00 178.15 179.06 1s46 n LEU 12 N -3.87 0.00 0.07 1.44 4.77 -1.10 -3.80 117.00 114.51 1s46 n LEU 12 Ca -0.05 0.33 0.09 0.00 -0.03 0.00 0.00 56.01 56.35 1s46 n LEU 12 Cb 0.73 -0.33 0.39 0.00 -2.33 0.00 0.00 43.42 41.88 1s46 n LEU 12 CO 0.50 -0.01 0.78 0.47 -1.33 0.00 0.00 177.39 177.80 1s46 n ASP 13 N -1.33 0.36 0.20 -1.43 8.00 -1.14 -2.21 116.55 118.98 1s46 n ASP 13 Ca 0.12 0.60 0.13 0.00 0.71 0.00 0.00 54.79 56.35 1s46 n ASP 13 Cb 0.26 -0.67 0.27 0.00 -0.02 0.00 0.00 41.12 40.96 1s46 n ASP 13 CO 0.00 0.00 0.00 0.16 -0.39 0.00 0.00 177.20 176.97 1s46 h ILE 14 N 0.00 0.00 -3.08 0.53 3.07 -1.79 -3.45 117.51 112.79 1s46 h ILE 14 Ca 0.00 -0.82 -0.60 0.00 1.55 0.00 0.00 64.86 64.99 1s46 h ILE 14 Cb 0.26 1.81 -0.05 0.00 -0.27 0.00 0.00 36.82 38.58 1s46 h ILE 14 CO 0.00 0.00 -0.25 -0.31 -1.05 0.00 0.00 178.15 176.54 1s46 s TYR 15 N -3.22 3.61 0.52 0.16 2.02 -0.94 -5.10 117.35 114.40 1s46 s TYR 15 Ca 0.07 0.81 -0.18 0.00 -0.37 0.00 0.00 57.07 57.41 1s46 s TYR 15 Cb 0.07 -2.17 -0.07 0.00 -0.40 0.00 0.00 41.96 39.39 1s46 s TYR 15 CO 0.64 0.54 1.02 0.95 -1.57 0.00 0.00 175.55 177.13 1s46 s THR 16 N -1.34 4.08 0.50 -0.71 -4.23 -1.26 -4.75 115.64 107.93 1s46 s THR 16 Ca 0.31 1.11 0.37 0.00 -1.18 0.00 0.00 61.69 62.30 1s46 s THR 16 Cb -0.14 -3.52 0.57 0.00 1.34 0.00 0.00 72.50 70.75 1s46 s THR 16 CO 0.17 -0.46 1.67 -0.65 -0.54 0.00 0.00 174.62 174.81 1s46 h PRO 17 N 1.06 0.07 -0.05 3.99 0.11 -1.98 -0.91 132.00 134.29 1s46 h PRO 17 Ca -0.48 -0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.59 1s46 h PRO 17 Cb 1.20 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.30 1s46 h PRO 17 CO 0.59 0.04 -0.10 0.93 -0.21 0.00 0.00 178.00 179.25 1s46 h GLU 18 N 0.07 0.16 0.00 1.05 3.07 -2.02 -3.26 114.58 113.65 1s46 h GLU 18 Ca 0.76 -0.10 0.00 0.00 -0.50 0.00 0.00 59.36 59.52 1s46 h GLU 18 Cb 2.74 0.01 0.00 0.00 -0.84 0.00 0.00 28.75 30.66 1s46 h GLU 18 CO -0.17 0.69 -0.26 -0.56 -1.40 0.00 0.00 179.01 177.31 1s46 h GLN 19 N -0.35 0.00 -0.48 2.33 3.07 -1.78 -3.31 115.11 114.58 1s46 h GLN 19 Ca 0.00 0.00 -0.11 0.00 0.09 0.00 0.00 58.65 58.63 1s46 h GLN 19 Cb 0.69 0.00 -0.02 0.00 0.08 0.00 0.00 27.48 28.23 1s46 h GLN 19 CO 0.02 0.00 -0.15 -0.09 0.09 0.00 0.00 178.83 178.71 1s46 h ARG 20 N 0.00 0.93 0.00 0.06 2.43 -1.27 -2.58 114.38 113.94 1s46 h ARG 20 Ca 0.00 -0.35 -0.05 0.00 -0.81 0.00 0.00 59.98 58.77 1s46 h ARG 20 Cb 0.93 -0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 30.42 1s46 h ARG 20 CO 0.00 1.01 -0.26 0.00 -1.51 0.00 0.00 179.97 179.21 1s46 h ALA 21 N 1.01 1.30 0.07 2.80 0.00 -1.65 -2.26 119.26 120.52 1s46 h ALA 21 Ca 0.12 -0.23 -0.27 0.00 0.00 0.00 0.00 54.91 54.53 1s46 h ALA 21 Cb 0.69 -0.04 0.02 0.00 0.00 0.00 0.00 17.79 18.45 1s46 h ALA 21 CO 0.05 0.32 -1.12 0.78 0.00 0.00 0.00 179.25 179.28 1s46 h GLY 22 N 1.17 0.57 1.48 0.00 0.00 -1.61 -3.28 103.07 101.40 1s46 h GLY 22 Ca -0.00 -1.12 -0.17 0.00 0.00 0.00 0.00 47.33 46.03 1s46 h GLY 22 CO 0.03 0.99 -0.62 -2.22 0.00 0.00 0.00 176.54 174.72 1s46 h ILE 23 N 0.24 1.33 0.00 2.60 5.03 -1.26 -3.13 117.51 122.33 1s46 h ILE 23 Ca -0.14 -1.91 -0.01 0.00 -0.12 0.00 0.00 64.86 62.69 1s46 h ILE 23 Cb 1.78 1.88 -0.00 0.00 -3.03 0.00 0.00 36.82 37.46 1s46 h ILE 23 CO 0.20 0.59 -0.03 -0.33 -0.68 0.00 0.00 178.15 177.90 1s46 h GLU 24 N 0.40 0.00 -0.01 2.37 5.08 -1.50 -2.37 114.58 118.55 1s46 h GLU 24 Ca -0.01 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 1s46 h GLU 24 Cb 1.18 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.43 1s46 h GLU 24 CO 0.11 0.03 -0.61 1.63 -1.00 0.00 0.00 179.01 179.17 1s46 n LYS 25 N -3.18 0.85 -1.91 2.33 4.76 -1.20 -4.81 118.16 114.99 1s46 n LYS 25 Ca -0.01 -0.70 -0.32 0.00 -2.87 0.00 0.00 58.31 54.42 1s46 n LYS 25 Cb 0.22 -1.49 0.02 0.00 -1.84 0.00 0.00 35.03 31.95 1s46 n LYS 25 CO 0.00 0.00 0.00 -1.54 -1.37 0.00 0.00 177.40 174.49 1s46 s SER 26 N -2.63 5.85 0.22 4.39 1.04 -0.89 -4.98 113.70 116.69 1s46 s SER 26 Ca 0.16 1.64 -0.03 0.00 0.48 0.00 0.00 55.95 58.20 1s46 s SER 26 Cb 0.18 -2.51 0.19 0.00 0.10 0.00 0.00 66.02 63.98 1s46 s SER 26 CO 0.65 -1.12 1.59 -0.08 0.98 0.00 0.00 173.24 175.26 1s46 h GLU 27 N -0.01 0.62 -0.69 4.02 4.57 -1.94 -2.71 114.58 118.44 1s46 h GLU 27 Ca -0.45 -0.31 -0.05 0.00 -1.18 0.00 0.00 59.36 57.37 1s46 h GLU 27 Cb 1.21 -0.00 -0.03 0.00 -0.16 0.00 0.00 28.75 29.76 1s46 h GLU 27 CO 0.59 0.90 0.22 -0.44 -1.18 0.00 0.00 179.01 179.10 1s46 h ASP 28 N 0.52 0.97 0.47 1.04 3.32 -1.94 -2.35 116.42 118.45 1s46 h ASP 28 Ca 0.05 -0.17 -0.21 0.00 0.02 0.00 0.00 57.03 56.72 1s46 h ASP 28 Cb 0.88 -0.25 -0.00 0.00 0.22 0.00 0.00 39.33 40.17 1s46 h ASP 28 CO 0.08 0.90 -0.92 -0.25 -1.72 0.00 0.00 179.24 177.33 1s46 h TRP 29 N 1.01 0.44 -0.34 4.55 2.91 -1.79 -2.45 115.95 120.30 1s46 h TRP 29 Ca 0.23 -0.24 -0.05 0.00 1.13 0.00 0.00 58.89 59.95 1s46 h TRP 29 Cb 0.27 -0.05 -0.02 0.00 -0.51 0.00 0.00 29.16 28.85 1s46 h TRP 29 CO 0.02 1.06 0.00 -0.09 -1.03 0.00 0.00 178.44 178.41 1s46 h ARG 30 N 0.16 0.52 0.14 2.65 2.43 -1.24 0.18 114.38 119.23 1s46 h ARG 30 Ca -0.06 -0.11 -0.24 0.00 -0.81 0.00 0.00 59.98 58.76 1s46 h ARG 30 Cb 1.55 -0.08 0.03 0.00 -0.42 0.00 0.00 29.97 31.05 1s46 h ARG 30 CO 0.15 0.54 -1.01 1.96 -1.51 0.00 0.00 179.97 180.10 1s46 h GLN 31 N 0.50 0.43 -0.65 0.20 1.08 -1.45 -2.90 115.11 112.32 1s46 h GLN 31 Ca 0.11 -0.65 -0.05 0.00 -1.45 0.00 0.00 58.65 56.60 1s46 h GLN 31 Cb 0.32 0.23 -0.03 0.00 -0.05 0.00 0.00 27.48 27.96 1s46 h GLN 31 CO 0.01 1.29 0.20 0.35 -0.95 0.00 0.00 178.83 179.73 1s46 h PHE 32 N -0.10 1.05 -0.62 2.96 3.57 -1.23 -1.77 116.94 120.81 1s46 h PHE 32 Ca -0.17 -0.11 -0.08 0.00 3.53 0.00 0.00 57.97 61.15 1s46 h PHE 32 Cb 1.76 -0.30 -0.02 0.00 2.79 0.00 0.00 35.95 40.17 1s46 h PHE 32 CO 0.16 0.86 0.09 1.03 -2.23 0.00 0.00 178.31 178.22 1s46 h SER 33 N 0.95 0.99 -0.34 0.41 0.87 -0.74 -0.14 113.55 115.54 1s46 h SER 33 Ca 0.21 -0.27 -0.05 0.00 -1.23 0.00 0.00 61.79 60.46 1s46 h SER 33 Cb 0.30 -0.26 -0.01 0.00 -0.44 0.00 0.00 62.40 61.99 1s46 h SER 33 CO -0.01 1.00 0.04 -0.09 -0.53 0.00 0.00 176.83 177.25 1s46 h ARG 34 N 0.94 0.58 0.00 2.24 2.43 -1.33 -1.96 114.38 117.28 1s46 h ARG 34 Ca 0.19 -0.17 -0.09 0.00 -0.81 0.00 0.00 59.98 59.10 1s46 h ARG 34 Cb 0.44 -0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 29.92 1s46 h ARG 34 CO 0.01 0.68 -0.43 0.00 -1.51 0.00 0.00 179.97 178.72 1s46 h ARG 35 N 0.41 0.00 -0.10 0.20 3.08 -1.21 -2.37 114.38 114.39 1s46 h ARG 35 Ca 0.10 0.00 -0.05 0.00 0.07 0.00 0.00 59.98 60.11 1s46 h ARG 35 Cb 0.39 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.44 1s46 h ARG 35 CO 0.01 0.43 -0.12 0.52 -1.07 0.00 0.00 179.97 179.74 1s46 h MET 36 N 0.00 0.26 -0.65 0.04 2.86 -0.82 -0.06 114.93 116.56 1s46 h MET 36 Ca -0.00 -0.14 -0.02 0.00 -2.06 0.00 0.00 59.70 57.48 1s46 h MET 36 Cb 0.87 0.01 -0.03 0.00 0.06 0.00 0.00 31.60 32.51 1s46 h MET 36 CO 0.06 0.69 0.34 -0.44 1.06 0.00 0.00 176.91 178.62 1s46 h ASP 37 N -0.16 0.81 0.16 1.22 3.32 -1.22 0.10 116.42 120.65 1s46 h ASP 37 Ca 0.01 -0.07 -0.21 0.00 0.02 0.00 0.00 57.03 56.78 1s46 h ASP 37 Cb 0.65 -0.21 0.02 0.00 0.22 0.00 0.00 39.33 40.02 1s46 h ASP 37 CO 0.03 0.66 -0.95 0.74 -1.72 0.00 0.00 179.24 178.01 1s46 h THR 38 N 0.91 1.46 -0.00 0.35 2.02 -1.43 -3.41 112.91 112.81 1s46 h THR 38 Ca 0.23 -2.56 0.00 0.00 0.77 0.00 0.00 66.41 64.85 1s46 h THR 38 Cb 0.05 3.16 0.00 0.00 -1.74 0.00 0.00 68.15 69.62 1s46 h THR 38 CO -0.04 0.73 -0.68 1.41 0.37 0.00 0.00 175.52 177.31 1s46 n HIS 39 N -4.05 0.00 -0.21 3.16 8.25 -0.04 -4.59 115.22 117.75 1s46 n HIS 39 Ca -0.15 0.00 -0.09 0.00 -0.26 0.00 0.00 57.72 57.22 1s46 n HIS 39 Cb 0.87 0.00 0.02 0.00 1.12 0.00 0.00 29.99 32.00 1s46 n HIS 39 CO 0.00 0.00 0.00 0.35 0.64 0.00 0.00 176.34 177.33 1s46 h PHE 40 N 0.31 1.16 -0.64 4.41 3.57 -0.93 -3.05 116.94 121.76 1s46 h PHE 40 Ca 0.00 -0.21 0.14 0.00 3.53 0.00 0.00 57.97 61.43 1s46 h PHE 40 Cb 0.41 -0.30 -0.04 0.00 2.79 0.00 0.00 35.95 38.81 1s46 h PHE 40 CO 0.00 1.03 0.44 -1.35 -2.23 0.00 0.00 178.31 176.20 1s46 h PRO 41 N 0.95 0.27 -0.31 6.41 0.11 -1.81 -0.10 132.00 137.52 1s46 h PRO 41 Ca 0.16 -0.02 -0.17 0.00 0.11 0.00 0.00 66.00 66.09 1s46 h PRO 41 Cb 0.58 -0.06 -0.00 0.00 0.11 0.00 0.00 31.00 31.63 1s46 h PRO 41 CO 0.03 0.18 -0.47 0.87 -0.21 0.00 0.00 178.00 178.41 1s46 h LYS 42 N 0.28 0.87 -0.34 1.05 1.57 -1.84 -1.63 116.57 116.54 1s46 h LYS 42 Ca 0.31 -0.52 -0.03 0.00 -1.87 0.00 0.00 60.65 58.54 1s46 h LYS 42 Cb 0.81 0.05 -0.01 0.00 0.08 0.00 0.00 32.23 33.16 1s46 h LYS 42 CO -0.07 1.16 0.09 1.25 -0.57 0.00 0.00 179.45 181.30 1s46 h LEU 43 N 0.66 0.50 -0.17 2.94 5.85 -1.09 -1.44 115.31 122.56 1s46 h LEU 43 Ca 0.03 -0.23 -0.01 0.00 0.84 0.00 0.00 57.88 58.52 1s46 h LEU 43 Cb 1.07 -0.13 -0.01 0.00 0.37 0.00 0.00 40.66 41.96 1s46 h LEU 43 CO 0.11 0.60 0.07 -0.03 -0.34 0.00 0.00 178.44 178.85 1s46 h MET 44 N 0.39 0.25 -0.70 1.25 4.05 -1.07 -1.84 114.93 117.26 1s46 h MET 44 Ca 0.11 -0.04 -0.01 0.00 -0.28 0.00 0.00 59.70 59.47 1s46 h MET 44 Cb 0.29 -0.04 -0.03 0.00 -0.80 0.00 0.00 31.60 31.01 1s46 h MET 44 CO 0.00 0.32 0.40 -0.97 0.23 0.00 0.00 176.91 176.88 1s46 h ASN 45 N 0.13 0.86 -0.30 1.39 -0.00 -1.22 -0.52 115.58 115.93 1s46 h ASN 45 Ca 0.06 -0.08 -0.15 0.00 -0.00 0.00 0.00 56.30 56.12 1s46 h ASN 45 Cb 0.15 -0.22 -0.00 0.00 -0.00 0.00 0.00 38.32 38.25 1s46 h ASN 45 CO -0.01 0.69 -0.41 -0.33 -0.00 0.00 0.00 177.43 177.38 1s46 h GLU 46 N 0.96 0.80 0.00 6.67 4.39 -1.19 -2.42 114.58 123.79 1s46 h GLU 46 Ca 0.25 -0.46 -0.08 0.00 0.34 0.00 0.00 59.36 59.41 1s46 h GLU 46 Cb 0.01 0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 28.69 1s46 h GLU 46 CO -0.04 1.10 -0.37 -0.07 -1.16 0.00 0.00 179.01 178.46 1s46 h LEU 47 N 0.56 0.00 -0.23 1.33 3.38 -1.18 -2.98 115.31 116.19 1s46 h LEU 47 Ca 0.03 0.00 -0.22 0.00 0.09 0.00 0.00 57.88 57.79 1s46 h LEU 47 Cb 1.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.75 1s46 h LEU 47 CO 0.10 0.37 -0.86 -0.78 0.09 0.00 0.00 178.44 177.35 1s46 h ASP 48 N 0.00 0.60 1.00 -0.43 3.58 -1.00 -0.81 116.42 119.36 1s46 h ASP 48 Ca -0.00 -0.44 -0.02 0.00 0.42 0.00 0.00 57.03 56.99 1s46 h ASP 48 Cb 0.78 -0.18 -0.00 0.00 1.72 0.00 0.00 39.33 41.65 1s46 h ASP 48 CO 0.05 1.22 -0.07 0.77 -2.88 0.00 0.00 179.24 178.32 1s46 h SER 49 N 0.30 0.00 0.00 2.28 4.64 -1.28 -0.11 113.55 119.38 1s46 h SER 49 Ca -0.06 0.00 -0.17 0.00 -0.47 0.00 0.00 61.79 61.09 1s46 h SER 49 Cb 1.48 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.54 1s46 h SER 49 CO 0.15 0.07 -1.30 0.52 -0.87 0.00 0.00 176.83 175.41 1s46 n VAL 50 N -3.20 1.49 0.03 0.95 0.31 -1.18 -4.72 118.33 112.01 1s46 n VAL 50 Ca 0.00 -0.00 0.01 0.00 -0.01 0.00 0.00 64.34 64.34 1s46 n VAL 50 Cb 0.35 -2.18 -0.08 0.00 -0.91 0.00 0.00 33.84 31.02 1s46 n VAL 50 CO 0.00 0.00 0.00 -1.22 -1.32 0.00 0.00 176.83 174.29 1s46 n TYR 51 N -4.45 0.90 0.00 3.52 4.01 -0.31 -5.04 117.16 115.80 1s46 n TYR 51 Ca -0.26 0.30 0.00 0.00 -0.16 0.00 0.00 57.90 57.78 1s46 n TYR 51 Cb 0.58 -1.05 0.00 0.00 -0.31 0.00 0.00 39.34 38.55 1s46 n TYR 51 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1s46 n GLY 52 N 1.39 3.65 2.17 2.72 0.00 -0.05 -2.70 105.19 112.36 1s46 n GLY 52 Ca -0.10 0.01 -0.20 0.00 0.00 0.00 0.00 46.02 45.73 1s46 n GLY 52 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1s46 n ASN 53 N 9.18 3.95 -4.73 1.61 3.02 -1.26 -4.84 115.26 122.18 1s46 n ASN 53 Ca 0.00 -3.50 -0.42 0.00 -0.03 0.00 0.00 54.58 50.63 1s46 n ASN 53 Cb 0.00 -0.82 -0.03 0.00 -0.61 0.00 0.00 39.78 38.33 1s46 n ASN 53 CO 0.00 0.00 0.00 0.21 -2.62 0.00 0.00 177.26 174.85 1s46 s ASN 54 N -1.19 6.44 0.50 6.41 3.84 -1.10 -4.89 114.94 124.96 1s46 s ASN 54 Ca 0.55 2.82 0.18 0.00 0.21 0.00 0.00 52.86 56.62 1s46 s ASN 54 Cb 0.46 -2.61 1.24 0.00 -0.55 0.00 0.00 41.25 39.80 1s46 s ASN 54 CO 0.11 -0.91 2.07 1.05 -2.79 0.00 0.00 177.10 176.64 1s46 h GLU 55 N 6.19 0.10 0.00 0.43 -0.00 -1.94 -2.01 114.58 117.35 1s46 h GLU 55 Ca -0.44 -0.01 0.00 0.00 -0.00 0.00 0.00 59.36 58.91 1s46 h GLU 55 Cb 1.21 -0.02 0.00 0.00 -0.00 0.00 0.00 28.75 29.93 1s46 h GLU 55 CO 0.89 0.07 -0.08 0.00 -0.00 0.00 0.00 179.01 179.89 1s46 n ALA 56 N -2.56 2.40 0.25 1.06 0.00 -1.26 -4.28 120.51 116.12 1s46 n ALA 56 Ca 0.03 -0.08 -0.16 0.00 0.00 0.00 0.00 53.44 53.24 1s46 n ALA 56 Cb 0.29 -1.43 -0.08 0.00 0.00 0.00 0.00 19.45 18.23 1s46 n ALA 56 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1s46 h LEU 57 N 0.00 -0.48 -0.07 0.00 5.85 -1.74 -1.60 115.31 117.27 1s46 h LEU 57 Ca 0.00 0.01 -0.00 0.00 0.84 0.00 0.00 57.88 58.73 1s46 h LEU 57 Cb 0.68 0.12 -0.00 0.00 0.37 0.00 0.00 40.66 41.83 1s46 h LEU 57 CO 0.00 -0.34 0.04 0.25 -0.34 0.00 0.00 178.44 178.05 1s46 h LEU 58 N -0.58 0.09 -1.67 2.25 5.85 -1.76 -0.32 115.31 119.17 1s46 h LEU 58 Ca -0.06 -0.10 -0.04 0.00 0.84 0.00 0.00 57.88 58.52 1s46 h LEU 58 Cb 0.44 -0.02 -0.01 0.00 0.37 0.00 0.00 40.66 41.44 1s46 h LEU 58 CO 0.10 0.17 -0.19 -0.65 -0.34 0.00 0.00 178.44 177.52 1s46 h PRO 59 N 0.01 0.00 -0.14 5.25 0.11 -1.77 -1.60 132.00 133.86 1s46 h PRO 59 Ca 0.02 0.00 -0.13 0.00 0.11 0.00 0.00 66.00 66.00 1s46 h PRO 59 Cb 0.10 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.21 1s46 h PRO 59 CO -0.00 0.19 -0.43 1.98 -0.21 0.00 0.00 178.00 179.53 1s46 h MET 60 N 0.00 0.54 -0.45 1.05 -1.53 -1.11 -2.54 114.93 110.88 1s46 h MET 60 Ca -0.00 -0.39 -0.01 0.00 -3.44 0.00 0.00 59.70 55.85 1s46 h MET 60 Cb 0.37 0.07 -0.02 0.00 -0.55 0.00 0.00 31.60 31.46 1s46 h MET 60 CO 0.02 1.01 0.23 1.25 0.14 0.00 0.00 176.91 179.57 1s46 h LEU 61 N 0.16 0.58 -0.78 3.39 5.85 -0.65 0.01 115.31 123.87 1s46 h LEU 61 Ca -0.01 -0.11 -0.08 0.00 0.84 0.00 0.00 57.88 58.51 1s46 h LEU 61 Cb 1.05 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 41.90 1s46 h LEU 61 CO 0.09 0.53 0.05 -0.33 -0.34 0.00 0.00 178.44 178.44 1s46 h GLU 62 N 0.59 0.97 -0.38 1.25 5.08 -1.35 -0.82 114.58 119.92 1s46 h GLU 62 Ca 0.16 -0.27 -0.13 0.00 -1.00 0.00 0.00 59.36 58.12 1s46 h GLU 62 Cb 0.09 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.22 1s46 h GLU 62 CO -0.02 0.93 -0.29 1.98 -1.00 0.00 0.00 179.01 180.61 1s46 h MET 63 N 0.91 0.82 -0.32 2.33 4.05 -1.23 -1.95 114.93 119.53 1s46 h MET 63 Ca 0.18 -0.37 -0.07 0.00 -0.28 0.00 0.00 59.70 59.16 1s46 h MET 63 Cb 0.46 -0.02 -0.01 0.00 -0.80 0.00 0.00 31.60 31.23 1s46 h MET 63 CO 0.02 1.00 -0.07 1.25 0.23 0.00 0.00 176.91 179.33 1s46 h LEU 64 N 0.69 0.61 -0.90 3.39 5.85 -0.68 -2.13 115.31 122.15 1s46 h LEU 64 Ca 0.08 -0.36 -0.12 0.00 0.84 0.00 0.00 57.88 58.32 1s46 h LEU 64 Cb 0.83 -0.17 -0.02 0.00 0.37 0.00 0.00 40.66 41.68 1s46 h LEU 64 CO 0.07 0.83 -0.54 -0.07 -0.34 0.00 0.00 178.44 178.39 1s46 h LEU 65 N 0.38 0.02 -0.38 2.25 3.38 -1.10 0.10 115.31 119.97 1s46 h LEU 65 Ca 0.08 -0.01 -0.17 0.00 0.09 0.00 0.00 57.88 57.87 1s46 h LEU 65 Cb 0.57 -0.01 -0.00 0.00 0.09 0.00 0.00 40.66 41.31 1s46 h LEU 65 CO 0.03 0.56 -0.48 0.00 0.09 0.00 0.00 178.44 178.64 1s46 h ALA 66 N 1.44 0.56 -0.20 1.53 0.00 -1.30 -1.71 119.26 119.58 1s46 h ALA 66 Ca -0.00 -0.49 -0.17 0.00 0.00 0.00 0.00 54.91 54.25 1s46 h ALA 66 Cb 0.97 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.66 1s46 h ALA 66 CO 0.07 0.68 -0.57 0.37 0.00 0.00 0.00 179.25 179.80 1s46 h GLN 67 N 0.67 0.62 -0.27 0.00 4.15 -1.16 -2.51 115.11 116.61 1s46 h GLN 67 Ca 0.03 -0.40 -0.06 0.00 0.77 0.00 0.00 58.65 58.99 1s46 h GLN 67 Cb 1.07 0.05 -0.02 0.00 0.21 0.00 0.00 27.48 28.80 1s46 h GLN 67 CO 0.11 1.02 -0.09 0.00 -1.93 0.00 0.00 178.83 177.94 1s46 h ALA 68 N 0.89 1.35 -0.07 3.38 0.00 -0.63 -0.36 119.26 123.83 1s46 h ALA 68 Ca 0.00 -0.23 -0.06 0.00 0.00 0.00 0.00 54.91 54.63 1s46 h ALA 68 Cb 1.14 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.80 1s46 h ALA 68 CO 0.11 0.44 -0.17 2.35 0.00 0.00 0.00 179.25 181.98 1s46 h TRP 69 N 0.41 0.31 -0.66 0.00 -0.00 -1.17 -1.88 115.95 112.95 1s46 h TRP 69 Ca 0.08 -0.12 0.01 0.00 -0.00 0.00 0.00 58.89 58.86 1s46 h TRP 69 Cb 0.41 -0.06 -0.03 0.00 -0.00 0.00 0.00 29.16 29.48 1s46 h TRP 69 CO 0.01 0.78 0.44 1.96 -0.00 0.00 0.00 178.44 181.63 1s46 h GLN 70 N -0.25 0.85 -0.29 2.65 1.08 -1.20 0.15 115.11 118.10 1s46 h GLN 70 Ca -0.00 -0.05 -0.09 0.00 -1.45 0.00 0.00 58.65 57.06 1s46 h GLN 70 Cb 0.77 -0.19 -0.01 0.00 -0.05 0.00 0.00 27.48 28.00 1s46 h GLN 70 CO 0.04 0.56 -0.17 1.03 -0.95 0.00 0.00 178.83 179.34 1s46 h SER 71 N 0.88 0.65 0.21 1.46 0.87 -1.05 -1.74 113.55 114.83 1s46 h SER 71 Ca 0.24 -0.42 -0.13 0.00 -1.23 0.00 0.00 61.79 60.25 1s46 h SER 71 Cb -0.09 -0.18 -0.01 0.00 -0.44 0.00 0.00 62.40 61.68 1s46 h SER 71 CO -0.05 0.93 -0.49 0.22 -0.53 0.00 0.00 176.83 176.91 1s46 h TYR 72 N 0.37 0.39 -0.47 2.24 3.20 -0.88 -1.83 116.97 120.00 1s46 h TYR 72 Ca 0.06 -0.13 -0.09 0.00 3.14 0.00 0.00 58.73 61.71 1s46 h TYR 72 Cb 0.70 -0.08 -0.02 0.00 1.54 0.00 0.00 36.73 38.88 1s46 h TYR 72 CO 0.06 0.75 -0.07 1.03 -1.64 0.00 0.00 178.16 178.29 1s46 h SER 73 N 0.26 0.87 1.31 -2.11 0.87 -0.86 -3.05 113.55 110.84 1s46 h SER 73 Ca 0.01 -0.34 -0.03 0.00 -1.23 0.00 0.00 61.79 60.19 1s46 h SER 73 Cb 0.96 -0.24 -0.00 0.00 -0.44 0.00 0.00 62.40 62.68 1s46 h SER 73 CO 0.08 1.01 -0.16 1.56 -0.53 0.00 0.00 176.83 178.79 1s46 h GLN 74 N 0.72 0.00 -6.63 2.24 4.20 -1.24 -3.46 115.11 110.94 1s46 h GLN 74 Ca 0.12 0.00 -0.58 0.00 0.06 0.00 0.00 58.65 58.26 1s46 h GLN 74 Cb 0.61 0.00 0.09 0.00 0.30 0.00 0.00 27.48 28.47 1s46 h GLN 74 CO 0.04 0.16 0.63 -2.13 -0.67 0.00 0.00 178.83 176.86 1s46 n ARG 75 N -3.22 2.12 -1.91 1.46 0.63 -0.70 -4.95 116.66 110.09 1s46 n ARG 75 Ca 0.02 0.75 -0.39 0.00 -0.92 0.00 0.00 57.85 57.31 1s46 n ARG 75 Cb 0.48 -2.41 0.02 0.00 0.45 0.00 0.00 32.46 30.99 1s46 n ARG 75 CO 0.00 0.00 0.00 1.21 -2.51 0.00 0.00 177.63 176.33 1s46 s ASN 76 N 0.24 5.83 0.48 6.15 2.47 -1.26 -4.90 114.94 123.95 1s46 s ASN 76 Ca 0.66 2.73 0.25 0.00 0.42 0.00 0.00 52.86 56.92 1s46 s ASN 76 Cb -0.62 -2.64 1.17 0.00 -1.45 0.00 0.00 41.25 37.71 1s46 s ASN 76 CO 0.51 -1.19 1.95 0.28 -3.72 0.00 0.00 177.10 174.93 1s46 h SER 77 N 2.11 0.00 0.56 -4.21 0.02 -1.98 -1.65 113.55 108.40 1s46 h SER 77 Ca -0.50 0.00 -0.13 0.00 -0.84 0.00 0.00 61.79 60.32 1s46 h SER 77 Cb 1.27 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.79 1s46 h SER 77 CO 0.60 0.19 -0.59 0.77 -1.14 0.00 0.00 176.83 176.66 1s46 h SER 78 N 0.00 0.04 1.11 3.07 4.64 -2.00 -1.96 113.55 118.46 1s46 h SER 78 Ca -0.00 -0.02 -0.18 0.00 -0.47 0.00 0.00 61.79 61.12 1s46 h SER 78 Cb 0.54 -0.01 -0.03 0.00 -0.31 0.00 0.00 62.40 62.59 1s46 h SER 78 CO 0.02 0.62 -0.91 -0.07 -0.87 0.00 0.00 176.83 175.62 1s46 h LEU 79 N 0.02 0.00 -0.86 5.97 3.38 -1.82 -3.12 115.31 118.89 1s46 h LEU 79 Ca -0.01 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.91 1s46 h LEU 79 Cb 1.05 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.80 1s46 h LEU 79 CO 0.08 0.80 -0.27 0.11 0.09 0.00 0.00 178.44 179.25 1s46 h LYS 80 N 0.00 0.00 0.01 1.13 1.57 -1.02 -1.46 116.57 116.79 1s46 h LYS 80 Ca -0.04 0.00 -0.19 0.00 -1.87 0.00 0.00 60.65 58.55 1s46 h LYS 80 Cb 1.64 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.93 1s46 h LYS 80 CO 0.10 0.27 -0.90 -0.44 -0.57 0.00 0.00 179.45 177.91 1s46 h ASP 81 N 0.00 0.07 1.00 0.86 3.32 -1.34 -2.75 116.42 117.59 1s46 h ASP 81 Ca -0.00 -0.07 -0.15 0.00 0.02 0.00 0.00 57.03 56.83 1s46 h ASP 81 Cb 0.88 -0.02 -0.02 0.00 0.22 0.00 0.00 39.33 40.38 1s46 h ASP 81 CO 0.03 0.93 -0.72 0.40 -1.72 0.00 0.00 179.24 178.17 1s46 h ILE 82 N 0.03 1.35 -0.23 0.35 2.04 -1.42 -2.18 117.51 117.45 1s46 h ILE 82 Ca -0.02 -2.60 -0.02 0.00 1.00 0.00 0.00 64.86 63.22 1s46 h ILE 82 Cb 1.56 2.47 -0.01 0.00 -0.74 0.00 0.00 36.82 40.10 1s46 h ILE 82 CO 0.12 0.70 0.07 0.44 0.00 0.00 0.00 178.15 179.49 1s46 h ASP 83 N 0.00 0.34 -0.43 1.72 3.32 -1.16 -1.61 116.42 118.60 1s46 h ASP 83 Ca -0.01 -0.21 -0.06 0.00 0.02 0.00 0.00 57.03 56.77 1s46 h ASP 83 Cb 1.41 -0.09 -0.02 0.00 0.22 0.00 0.00 39.33 40.85 1s46 h ASP 83 CO 0.09 0.45 0.02 0.40 -1.72 0.00 0.00 179.24 178.49 1s46 h ILE 84 N 0.20 1.26 -0.20 0.35 1.08 -1.47 -2.24 117.51 116.49 1s46 h ILE 84 Ca 0.07 -0.99 -0.00 0.00 -0.39 0.00 0.00 64.86 63.55 1s46 h ILE 84 Cb 0.24 1.06 -0.01 0.00 -3.07 0.00 0.00 36.82 35.03 1s46 h ILE 84 CO -0.00 0.34 0.12 0.00 -0.69 0.00 0.00 178.15 177.92 1s46 h ALA 85 N 0.91 0.25 0.00 1.87 0.00 -1.27 -2.80 119.26 118.22 1s46 h ALA 85 Ca 0.12 -0.03 -0.07 0.00 0.00 0.00 0.00 54.91 54.93 1s46 h ALA 85 Cb 0.46 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 1s46 h ALA 85 CO 0.02 -0.25 -0.34 0.00 0.00 0.00 0.00 179.25 178.68 1s46 h ARG 86 N 0.25 0.00 -0.01 0.00 3.08 -1.32 -2.11 114.38 114.27 1s46 h ARG 86 Ca 0.07 0.00 -0.09 0.00 0.07 0.00 0.00 59.98 60.04 1s46 h ARG 86 Cb 0.01 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.05 1s46 h ARG 86 CO -0.01 0.34 -0.40 1.49 -1.07 0.00 0.00 179.97 180.32 1s46 h GLU 87 N 0.00 0.03 -0.43 0.04 4.81 -1.29 -2.67 114.58 115.06 1s46 h GLU 87 Ca -0.00 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.22 1s46 h GLU 87 Cb 1.14 -0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.52 1s46 h GLU 87 CO 0.04 0.42 0.00 0.09 -0.73 0.00 0.00 179.01 178.84 1s46 n ASN 88 N -4.06 3.18 -3.09 1.04 3.02 -1.07 -4.64 115.26 109.65 1s46 n ASN 88 Ca -0.02 -1.96 -0.19 0.00 -0.03 0.00 0.00 54.58 52.39 1s46 n ASN 88 Cb 0.44 -0.28 -0.04 0.00 -0.61 0.00 0.00 39.78 39.28 1s46 n ASN 88 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 1s46 n ASN 89 N 0.92 -1.11 0.19 6.41 5.15 -0.80 -5.00 115.26 121.02 1s46 n ASN 89 Ca 0.15 -2.78 0.14 0.00 -0.60 0.00 0.00 54.58 51.49 1s46 n ASN 89 Cb 0.48 0.22 0.51 0.00 -0.53 0.00 0.00 39.78 40.46 1s46 n ASN 89 CO 0.00 0.00 0.00 1.55 1.40 0.00 0.00 177.26 180.21 1s46 h PRO 90 N 4.50 0.00 -0.55 1.20 0.13 -1.81 -3.24 132.00 132.24 1s46 h PRO 90 Ca 0.07 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.20 1s46 h PRO 90 Cb 0.95 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.08 1s46 h PRO 90 CO 0.36 0.00 0.00 -0.25 -0.23 0.00 0.00 178.00 177.88 1s46 n ASP 91 N -2.64 2.83 0.28 1.44 9.92 -1.26 -4.36 116.55 122.76 1s46 n ASP 91 Ca 0.02 -2.20 0.12 0.00 -0.53 0.00 0.00 54.79 52.20 1s46 n ASP 91 Cb 0.32 -0.40 0.77 0.00 -0.64 0.00 0.00 41.12 41.17 1s46 n ASP 91 CO 0.00 0.00 0.00 4.11 0.13 0.00 0.00 177.20 181.44 1s46 h TRP 92 N 2.44 0.00 0.00 1.24 5.08 -1.95 -0.83 115.95 121.94 1s46 h TRP 92 Ca 0.00 0.00 -0.06 0.00 1.08 0.00 0.00 58.89 59.91 1s46 h TRP 92 Cb 0.86 0.00 -0.01 0.00 -3.00 0.00 0.00 29.16 27.01 1s46 h TRP 92 CO 0.41 0.03 -0.27 -0.84 -1.28 0.00 0.00 178.44 176.49 1s46 h ILE 93 N 0.00 0.58 -0.00 0.12 3.07 -1.89 -3.14 117.51 116.24 1s46 h ILE 93 Ca -0.00 -1.38 0.00 0.00 1.55 0.00 0.00 64.86 65.03 1s46 h ILE 93 Cb 0.07 1.95 0.00 0.00 -0.27 0.00 0.00 36.82 38.56 1s46 h ILE 93 CO 0.00 0.27 -0.27 0.18 -1.05 0.00 0.00 178.15 177.28 1s46 n LEU 94 N -3.32 0.65 -4.76 0.16 4.77 -0.32 -4.35 117.00 109.83 1s46 n LEU 94 Ca 0.01 -0.06 -0.41 0.00 -0.03 0.00 0.00 56.01 55.52 1s46 n LEU 94 Cb 0.51 -0.20 -0.02 0.00 -2.33 0.00 0.00 43.42 41.37 1s46 n LEU 94 CO 0.35 0.13 0.99 -0.55 -1.33 0.00 0.00 177.39 176.98 1s46 s SER 95 N -2.68 6.81 0.36 -1.43 0.15 -1.19 -1.59 113.70 114.13 1s46 s SER 95 Ca 0.21 2.60 0.27 0.00 0.70 0.00 0.00 55.95 59.73 1s46 s SER 95 Cb 0.19 -2.64 1.12 0.00 -1.71 0.00 0.00 66.02 62.99 1s46 s SER 95 CO 0.56 -0.53 1.81 -0.55 1.20 0.00 0.00 173.24 175.72 1s46 h ASN 96 N 4.09 0.00 0.86 5.45 -1.07 -1.87 -2.78 115.58 120.26 1s46 h ASN 96 Ca -0.47 0.00 0.00 0.00 0.07 0.00 0.00 56.30 55.90 1s46 h ASN 96 Cb 1.22 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 37.47 1s46 h ASN 96 CO 0.70 0.00 0.00 0.11 0.07 0.00 0.00 177.43 178.31 1s46 h LYS 97 N 0.00 0.00 -5.91 4.14 1.57 -1.81 -3.30 116.57 111.25 1s46 h LYS 97 Ca 0.00 0.00 -0.58 0.00 -1.87 0.00 0.00 60.65 58.20 1s46 h LYS 97 Cb 0.40 0.00 -0.07 0.00 0.08 0.00 0.00 32.23 32.64 1s46 h LYS 97 CO 0.00 0.00 0.33 -0.65 -0.57 0.00 0.00 179.45 178.56 1s46 s GLN 98 N -3.71 4.30 -0.03 3.15 -1.52 -1.05 -4.79 119.66 116.00 1s46 s GLN 98 Ca 0.00 0.95 -0.00 0.00 -1.95 0.00 0.00 55.36 54.37 1s46 s GLN 98 Cb 0.09 -3.57 0.03 0.00 -0.22 0.00 0.00 33.01 29.35 1s46 s GLN 98 CO 0.51 -0.29 0.03 0.08 -0.25 0.00 0.00 175.29 175.38 1s46 s VAL 99 N 2.02 -0.05 0.29 1.09 1.01 -1.26 -4.44 120.40 119.06 1s46 s VAL 99 Ca 0.37 0.25 0.09 0.00 0.00 0.00 0.00 61.98 62.69 1s46 s VAL 99 Cb -0.17 -0.12 -0.04 0.00 0.00 0.00 0.00 36.38 36.06 1s46 s VAL 99 CO 0.13 0.12 0.09 -0.83 0.00 0.00 0.00 175.10 174.60 1s46 s GLY 100 N 1.32 1.73 0.01 4.51 0.00 0.94 -1.36 107.32 114.47 1s46 s GLY 100 Ca -0.06 -1.69 -0.01 0.00 0.00 0.00 0.00 44.72 42.96 1s46 s GLY 100 CO -0.03 -1.69 0.01 -0.32 0.00 0.00 0.00 173.10 171.07 1s46 s GLY 101 N -3.78 0.17 -0.02 0.20 0.00 -0.22 -0.88 107.32 102.79 1s46 s GLY 101 Ca 0.34 -0.41 0.03 0.00 0.00 0.00 0.00 44.72 44.69 1s46 s GLY 101 CO 0.22 -0.48 -0.12 0.54 0.00 0.00 0.00 173.10 173.26 1s46 s VAL 102 N -1.23 0.94 0.14 1.40 0.11 -0.28 -0.08 120.40 121.42 1s46 s VAL 102 Ca -0.13 -0.49 -0.22 0.00 -2.93 0.00 0.00 61.98 58.21 1s46 s VAL 102 Cb -0.08 -0.80 0.06 0.00 -1.53 0.00 0.00 36.38 34.03 1s46 s VAL 102 CO -0.00 0.27 0.55 0.00 -3.33 0.00 0.00 175.10 172.59 1s46 s TYR 104 N -3.65 3.46 0.30 0.00 2.02 -1.26 -2.67 117.35 115.55 1s46 s TYR 104 Ca 0.01 0.87 -0.01 0.00 -0.37 0.00 0.00 57.07 57.57 1s46 s TYR 104 Cb -0.00 -2.62 0.48 0.00 -0.40 0.00 0.00 41.96 39.42 1s46 s TYR 104 CO -0.12 0.06 1.95 0.28 -1.57 0.00 0.00 175.55 176.14 1s46 h VAL 105 N 4.88 1.15 -0.09 0.71 2.07 -1.95 0.31 116.25 123.34 1s46 h VAL 105 Ca -0.38 -0.37 -0.23 0.00 0.82 0.00 0.00 66.70 66.54 1s46 h VAL 105 Cb 1.17 -0.02 0.01 0.00 -1.52 0.00 0.00 31.29 30.93 1s46 h VAL 105 CO 0.75 0.20 -0.86 -2.24 0.02 0.00 0.00 177.57 175.43 1s46 h ASP 106 N 1.08 0.84 0.68 0.57 2.03 -1.91 -0.90 116.42 118.82 1s46 h ASP 106 Ca 0.34 -0.60 -0.27 0.00 -0.73 0.00 0.00 57.03 55.77 1s46 h ASP 106 Cb 0.01 -0.25 -0.00 0.00 -0.83 0.00 0.00 39.33 38.25 1s46 h ASP 106 CO -0.10 1.39 -1.22 -0.07 -1.03 0.00 0.00 179.24 178.22 1s46 h LEU 107 N 0.44 0.36 0.03 0.15 3.38 -1.84 -2.39 115.31 115.44 1s46 h LEU 107 Ca -0.07 -0.39 -0.29 0.00 0.09 0.00 0.00 57.88 57.22 1s46 h LEU 107 Cb 1.49 -0.12 -0.04 0.00 0.09 0.00 0.00 40.66 42.09 1s46 h LEU 107 CO 0.17 1.31 -1.63 0.15 0.09 0.00 0.00 178.44 178.52 1s46 h PHE 108 N 0.06 0.10 0.00 1.13 3.57 -1.04 0.68 116.94 121.44 1s46 h PHE 108 Ca -0.12 -0.08 0.00 0.00 3.53 0.00 0.00 57.97 61.30 1s46 h PHE 108 Cb 1.94 -0.00 0.00 0.00 2.79 0.00 0.00 35.95 40.68 1s46 h PHE 108 CO 0.05 1.13 0.00 0.00 -2.23 0.00 0.00 178.31 177.27 1s46 n ALA 109 N -2.59 0.31 0.00 2.41 0.00 -0.68 -4.65 120.51 115.30 1s46 n ALA 109 Ca -0.16 -0.13 0.00 0.00 0.00 0.00 0.00 53.44 53.15 1s46 n ALA 109 Cb 1.04 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.49 1s46 n ALA 109 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1s46 n GLY 110 N 0.00 2.06 3.34 0.00 0.00 -0.43 -4.42 105.19 105.74 1s46 n GLY 110 Ca 0.00 -0.31 -0.16 0.00 0.00 0.00 0.00 46.02 45.55 1s46 n GLY 110 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1s46 n ASP 111 N 3.71 -1.17 0.17 1.61 5.68 -1.25 -4.23 116.55 121.07 1s46 n ASP 111 Ca 0.00 -3.00 0.02 0.00 -0.50 0.00 0.00 54.79 51.32 1s46 n ASP 111 Cb 0.00 2.29 0.38 0.00 -1.14 0.00 0.00 41.12 42.65 1s46 n ASP 111 CO 0.00 0.00 0.00 -0.07 -1.33 0.00 0.00 177.20 175.80 1s46 h LEU 112 N 0.00 0.08 -0.67 -2.12 3.38 -1.34 -1.58 115.31 113.07 1s46 h LEU 112 Ca -0.26 -0.02 -0.14 0.00 0.09 0.00 0.00 57.88 57.54 1s46 h LEU 112 Cb 1.20 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.91 1s46 h LEU 112 CO 0.36 0.37 -0.61 0.11 0.09 0.00 0.00 178.44 178.76 1s46 h LYS 113 N 0.08 0.20 0.00 1.13 1.57 -1.91 -2.67 116.57 114.96 1s46 h LYS 113 Ca 0.01 -0.14 -0.15 0.00 -1.87 0.00 0.00 60.65 58.50 1s46 h LYS 113 Cb 0.54 0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.85 1s46 h LYS 113 CO 0.04 0.75 -0.72 0.78 -0.57 0.00 0.00 179.45 179.73 1s46 h GLY 114 N 1.53 0.00 1.56 3.86 0.00 -1.69 -3.18 103.07 105.14 1s46 h GLY 114 Ca -0.01 0.00 -0.14 0.00 0.00 0.00 0.00 47.33 47.18 1s46 h GLY 114 CO 0.09 0.00 -0.48 -2.00 0.00 0.00 0.00 176.54 174.15 1s46 h LEU 115 N 0.00 0.52 -0.32 3.11 5.85 -1.07 -2.79 115.31 120.61 1s46 h LEU 115 Ca -0.01 -0.25 0.00 0.00 0.84 0.00 0.00 57.88 58.46 1s46 h LEU 115 Cb 1.32 -0.15 0.00 0.00 0.37 0.00 0.00 40.66 42.20 1s46 h LEU 115 CO 0.09 0.92 0.00 2.29 -0.34 0.00 0.00 178.44 181.40 1s46 n LYS 116 N -3.98 0.15 0.06 1.25 2.85 -1.03 -1.60 118.16 115.85 1s46 n LYS 116 Ca -0.02 0.29 0.12 0.00 -1.05 0.00 0.00 58.31 57.65 1s46 n LYS 116 Cb 0.55 -1.74 0.21 0.00 -0.65 0.00 0.00 35.03 33.40 1s46 n LYS 116 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 177.40 177.10 1s46 n ASP 117 N -2.01 0.67 -0.36 -5.58 8.00 -1.06 -3.30 116.55 112.90 1s46 n ASP 117 Ca 0.04 0.13 0.13 0.00 0.71 0.00 0.00 54.79 55.79 1s46 n ASP 117 Cb 0.28 0.08 0.34 0.00 -0.02 0.00 0.00 41.12 41.81 1s46 n ASP 117 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1s46 n LYS 118 N -2.05 1.12 -0.32 -1.24 4.76 -0.63 -4.32 118.16 115.49 1s46 n LYS 118 Ca 0.04 -0.72 -0.04 0.00 -2.87 0.00 0.00 58.31 54.71 1s46 n LYS 118 Cb 0.43 -1.49 0.08 0.00 -1.84 0.00 0.00 35.03 32.21 1s46 n LYS 118 CO 0.00 0.00 0.00 0.82 -1.37 0.00 0.00 177.40 176.85 1s46 h ILE 119 N 1.76 1.25 0.00 -0.18 2.04 -1.53 -2.50 117.51 118.35 1s46 h ILE 119 Ca 0.00 -0.65 -0.02 0.00 1.00 0.00 0.00 64.86 65.19 1s46 h ILE 119 Cb 0.56 0.11 -0.00 0.00 -0.74 0.00 0.00 36.82 36.75 1s46 h ILE 119 CO 0.00 0.29 -0.08 -0.65 0.00 0.00 0.00 178.15 177.71 1s46 h PRO 120 N 1.21 0.00 -0.17 2.37 0.11 -1.83 -1.56 132.00 132.13 1s46 h PRO 120 Ca 0.30 0.00 -0.20 0.00 0.11 0.00 0.00 66.00 66.21 1s46 h PRO 120 Cb 0.05 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.16 1s46 h PRO 120 CO -0.05 0.08 -0.70 -0.92 -0.21 0.00 0.00 178.00 176.21 1s46 h TYR 121 N 0.00 0.93 0.00 0.65 3.20 -1.75 -1.78 116.97 118.22 1s46 h TYR 121 Ca -0.00 -0.38 -0.05 0.00 3.14 0.00 0.00 58.73 61.43 1s46 h TYR 121 Cb 0.19 -0.15 -0.01 0.00 1.54 0.00 0.00 36.73 38.30 1s46 h TYR 121 CO 0.00 1.19 -0.24 0.74 -1.64 0.00 0.00 178.16 178.21 1s46 h PHE 122 N 0.50 0.00 0.02 -3.82 0.04 -0.93 -0.41 116.94 112.34 1s46 h PHE 122 Ca -0.03 0.00 -0.21 0.00 2.80 0.00 0.00 57.97 60.53 1s46 h PHE 122 Cb 1.31 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 39.43 1s46 h PHE 122 CO 0.07 0.24 -0.99 1.96 -0.60 0.00 0.00 178.31 178.99 1s46 h GLN 123 N 0.00 0.05 -0.36 1.51 4.20 -1.28 0.82 115.11 120.04 1s46 h GLN 123 Ca -0.00 -0.07 -0.16 0.00 0.06 0.00 0.00 58.65 58.47 1s46 h GLN 123 Cb 0.47 0.03 -0.01 0.00 0.30 0.00 0.00 27.48 28.27 1s46 h GLN 123 CO 0.03 1.00 -0.41 1.49 -0.67 0.00 0.00 178.83 180.26 1s46 h GLU 124 N 0.02 0.90 0.00 1.46 4.81 -0.64 -2.79 114.58 118.33 1s46 h GLU 124 Ca -0.03 -0.49 -0.04 0.00 -0.13 0.00 0.00 59.36 58.67 1s46 h GLU 124 Cb 1.73 0.02 -0.01 0.00 0.63 0.00 0.00 28.75 31.12 1s46 h GLU 124 CO 0.14 1.14 -0.21 1.25 -0.73 0.00 0.00 179.01 180.59 1s46 h LEU 125 N 0.73 0.00 0.00 1.64 5.85 -1.09 -3.48 115.31 118.96 1s46 h LEU 125 Ca 0.05 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.77 1s46 h LEU 125 Cb 1.00 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.03 1s46 h LEU 125 CO 0.10 0.21 0.00 0.61 -0.34 0.00 0.00 178.44 179.02 1s46 n GLY 126 N 0.56 1.14 3.76 3.75 0.00 -0.82 -4.93 105.19 108.64 1s46 n GLY 126 Ca 0.01 -0.37 -0.39 0.00 0.00 0.00 0.00 46.02 45.27 1s46 n GLY 126 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1s46 s LEU 127 N 0.00 4.50 0.00 0.99 1.43 0.22 -4.66 118.68 121.16 1s46 s LEU 127 Ca 0.00 2.10 0.00 0.00 -1.03 0.00 0.00 54.13 55.20 1s46 s LEU 127 Cb 0.00 -3.74 0.00 0.00 0.03 0.00 0.00 46.19 42.48 1s46 s LEU 127 CO 0.00 -0.10 0.80 0.35 0.23 0.00 0.00 176.35 177.63 1s46 n THR 128 N 1.03 0.63 -3.66 5.49 -2.24 -0.46 -4.71 114.28 110.35 1s46 n THR 128 Ca -0.00 -0.67 -0.08 0.00 -2.27 0.00 0.00 64.05 61.03 1s46 n THR 128 Cb 0.47 0.72 -0.08 0.00 -2.10 0.00 0.00 70.33 69.33 1s46 n THR 128 CO 0.00 0.00 0.00 -0.47 -0.57 0.00 0.00 175.07 174.03 1s46 s TYR 129 N -0.63 -0.89 -0.14 4.78 6.14 -1.17 -1.30 117.35 124.14 1s46 s TYR 129 Ca 0.00 1.75 -0.01 0.00 0.64 0.00 0.00 57.07 59.45 1s46 s TYR 129 Cb 0.00 0.47 0.04 0.00 0.42 0.00 0.00 41.96 42.88 1s46 s TYR 129 CO 0.00 -0.48 -0.06 -1.17 0.64 0.00 0.00 175.55 174.49 1s46 s LEU 130 N 1.94 1.39 -0.29 6.97 2.96 -0.37 -1.06 118.68 130.23 1s46 s LEU 130 Ca -0.08 -0.51 -0.14 0.00 -0.22 0.00 0.00 54.13 53.19 1s46 s LEU 130 Cb -0.09 -0.86 -0.04 0.00 0.50 0.00 0.00 46.19 45.71 1s46 s LEU 130 CO -0.16 -0.16 0.31 -0.47 -1.32 0.00 0.00 176.35 174.55 1s46 s TYR 131 N 1.68 3.23 -0.18 5.38 5.04 0.89 -1.56 117.35 131.83 1s46 s TYR 131 Ca 0.02 0.22 -0.08 0.00 -2.44 0.00 0.00 57.07 54.80 1s46 s TYR 131 Cb -0.14 -2.53 -0.04 0.00 0.35 0.00 0.00 41.96 39.59 1s46 s TYR 131 CO -0.08 -0.25 0.07 -0.51 -1.34 0.00 0.00 175.55 173.43 1s46 s LEU 132 N 1.96 3.85 0.83 6.97 1.43 -0.22 -2.24 118.68 131.26 1s46 s LEU 132 Ca 0.12 0.10 -0.11 0.00 -1.03 0.00 0.00 54.13 53.21 1s46 s LEU 132 Cb -0.16 -1.97 0.09 0.00 0.03 0.00 0.00 46.19 44.18 1s46 s LEU 132 CO 0.11 0.18 1.10 -0.04 0.23 0.00 0.00 176.35 177.92 1s46 s MET 133 N 0.33 1.79 -0.31 1.70 -1.94 -1.09 -4.24 119.30 115.54 1s46 s MET 133 Ca 0.04 1.14 -0.28 0.00 -1.71 0.00 0.00 55.69 54.88 1s46 s MET 133 Cb -0.12 -1.85 -0.12 0.00 2.01 0.00 0.00 34.83 34.75 1s46 s MET 133 CO -0.00 -1.96 1.34 -2.30 -0.01 0.00 0.00 175.02 172.09 1s46 n PRO 134 N -3.74 0.00 0.04 2.03 -0.02 -1.26 -4.80 135.00 127.25 1s46 n PRO 134 Ca 0.09 0.00 0.11 0.00 -2.02 0.00 0.00 63.50 61.67 1s46 n PRO 134 Cb 0.53 -0.94 -0.09 0.00 -0.02 0.00 0.00 33.50 32.98 1s46 n PRO 134 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 1s46 n LEU 135 N 4.69 0.41 -4.90 2.45 4.77 -1.26 -4.85 117.00 118.29 1s46 n LEU 135 Ca 0.34 0.16 -0.28 0.00 -0.03 0.00 0.00 56.01 56.20 1s46 n LEU 135 Cb -0.03 -0.02 0.02 0.00 -2.33 0.00 0.00 43.42 41.07 1s46 n LEU 135 CO 0.55 -0.07 0.56 -0.36 -1.33 0.00 0.00 177.39 176.74 1s46 s PHE 136 N -3.42 3.38 0.10 -1.77 0.08 -1.26 -0.70 117.98 114.39 1s46 s PHE 136 Ca -0.05 0.81 -0.36 0.00 0.12 0.00 0.00 56.93 57.46 1s46 s PHE 136 Cb 0.12 -2.67 -0.15 0.00 -0.57 0.00 0.00 43.02 39.74 1s46 s PHE 136 CO 0.85 -0.72 1.47 1.17 -0.10 0.00 0.00 175.22 177.89 1s46 n LYS 137 N -2.58 1.60 -4.07 0.44 4.81 0.49 -4.30 118.16 114.54 1s46 n LYS 137 Ca 0.04 0.58 -0.08 0.00 -0.87 0.00 0.00 58.31 57.98 1s46 n LYS 137 Cb 0.56 -2.28 -0.10 0.00 0.02 0.00 0.00 35.03 33.23 1s46 n LYS 137 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1s46 s PRO 139 N -3.31 2.24 0.24 0.00 0.02 -1.26 -4.91 135.00 128.02 1s46 s PRO 139 Ca 0.02 1.72 -0.30 0.00 0.02 0.00 0.00 61.00 62.45 1s46 s PRO 139 Cb 0.03 -1.85 -0.09 0.00 0.02 0.00 0.00 34.50 32.62 1s46 s PRO 139 CO -0.08 -1.75 1.17 -2.00 -0.33 0.00 0.00 177.00 174.02 1s46 s GLU 140 N -3.92 4.53 0.00 5.54 2.12 -1.26 -4.53 118.70 121.18 1s46 s GLU 140 Ca 0.73 1.89 0.00 0.00 0.36 0.00 0.00 54.97 57.95 1s46 s GLU 140 Cb -0.28 -3.20 0.00 0.00 0.26 0.00 0.00 34.13 30.91 1s46 s GLU 140 CO 0.44 0.02 0.00 0.41 -0.54 0.00 0.00 175.26 175.59 1s46 n GLY 141 N 1.65 0.93 3.64 -1.50 0.00 -1.26 -4.90 105.19 103.76 1s46 n GLY 141 Ca 0.02 -1.23 -0.43 0.00 0.00 0.00 0.00 46.02 44.38 1s46 n GLY 141 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1s46 s LYS 142 N 0.00 4.14 -0.00 1.61 1.02 -1.26 -4.86 119.74 120.39 1s46 s LYS 142 Ca 0.00 1.11 0.01 0.00 0.02 0.00 0.00 55.97 57.11 1s46 s LYS 142 Cb 0.00 -3.69 0.01 0.00 -0.52 0.00 0.00 37.83 33.63 1s46 s LYS 142 CO 0.00 -0.72 0.68 -1.13 -0.92 0.00 0.00 175.35 173.26 1s46 n SER 143 N 6.47 0.41 -3.48 2.83 3.41 -1.26 -4.83 113.62 117.18 1s46 n SER 143 Ca 0.10 -1.39 -0.21 0.00 -0.26 0.00 0.00 58.87 57.11 1s46 n SER 143 Cb 0.47 -0.04 0.08 0.00 -0.26 0.00 0.00 64.21 64.46 1s46 n SER 143 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 1s46 n ASP 144 N -0.13 -4.83 -2.50 4.04 2.03 -1.26 -1.57 116.55 112.33 1s46 n ASP 144 Ca 0.01 -0.56 -0.18 0.00 0.52 0.00 0.00 54.79 54.58 1s46 n ASP 144 Cb 0.49 -4.97 0.03 0.00 -0.72 0.00 0.00 41.12 35.95 1s46 n ASP 144 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1s46 n GLY 145 N -1.69 -0.31 1.30 0.27 0.00 -1.26 -2.36 105.19 101.15 1s46 n GLY 145 Ca -0.09 -0.04 0.00 0.00 0.00 0.00 0.00 46.02 45.89 1s46 n GLY 145 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1s46 n GLY 146 N -1.38 0.73 0.23 -0.02 0.00 -1.04 -4.64 105.19 99.06 1s46 n GLY 146 Ca -0.10 0.00 0.03 0.00 0.00 0.00 0.00 46.02 45.95 1s46 n GLY 146 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1s46 n TYR 147 N -2.04 0.16 -3.87 1.61 4.01 -0.61 -4.35 117.16 112.08 1s46 n TYR 147 Ca 0.00 -0.08 -0.30 0.00 -0.16 0.00 0.00 57.90 57.36 1s46 n TYR 147 Cb 0.00 0.00 -0.12 0.00 -0.31 0.00 0.00 39.34 38.91 1s46 n TYR 147 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1s46 s ALA 148 N -1.84 3.70 0.01 -0.72 0.00 -0.67 -4.87 121.76 117.36 1s46 s ALA 148 Ca 0.10 -3.63 -0.30 0.00 0.00 0.00 0.00 51.96 48.13 1s46 s ALA 148 Cb 0.05 -2.28 -0.05 0.00 0.00 0.00 0.00 23.12 20.85 1s46 s ALA 148 CO 0.07 -2.08 1.24 0.08 0.00 0.00 0.00 175.76 175.07 1s46 s VAL 149 N -0.99 4.04 -0.10 0.00 1.01 -1.26 -4.17 120.40 118.93 1s46 s VAL 149 Ca 0.22 1.42 0.20 0.00 0.00 0.00 0.00 61.98 63.83 1s46 s VAL 149 Cb -0.13 -3.91 -0.28 0.00 0.00 0.00 0.00 36.38 32.06 1s46 s VAL 149 CO -0.10 0.05 0.39 -1.20 0.00 0.00 0.00 175.10 174.24 1s46 n SER 150 N 4.70 0.11 -3.65 3.32 7.64 0.53 -1.12 113.62 125.15 1s46 n SER 150 Ca 0.11 0.05 -0.03 0.00 1.01 0.00 0.00 58.87 60.00 1s46 n SER 150 Cb 0.46 1.43 -0.06 0.00 -1.01 0.00 0.00 64.21 65.04 1s46 n SER 150 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1s46 s SER 151 N -5.00 -0.94 0.00 6.43 0.15 -1.18 -4.26 113.70 108.90 1s46 s SER 151 Ca -0.08 1.44 0.29 0.00 0.70 0.00 0.00 55.95 58.30 1s46 s SER 151 Cb 0.11 1.99 1.24 0.00 -1.71 0.00 0.00 66.02 67.64 1s46 s SER 151 CO 0.87 -0.22 1.89 -1.22 1.20 0.00 0.00 173.24 175.76 1s46 n TYR 152 N 5.29 0.00 -0.11 3.44 4.01 -1.26 -3.42 117.16 125.10 1s46 n TYR 152 Ca -0.12 0.00 -0.15 0.00 -0.16 0.00 0.00 57.90 57.47 1s46 n TYR 152 Cb 0.50 -0.33 -0.14 0.00 -0.31 0.00 0.00 39.34 39.07 1s46 n TYR 152 CO 0.00 0.00 0.00 0.54 -0.46 0.00 0.00 176.86 176.94 1s46 n ARG 153 N -1.30 0.67 -3.40 -0.72 5.12 -1.26 -4.94 116.66 110.83 1s46 n ARG 153 Ca 0.11 0.09 -0.38 0.00 -1.93 0.00 0.00 57.85 55.74 1s46 n ARG 153 Cb 0.29 -1.53 -0.08 0.00 -1.16 0.00 0.00 32.46 29.98 1s46 n ARG 153 CO 0.00 0.00 0.00 -0.51 -1.93 0.00 0.00 177.63 175.19 1s46 s ASP 154 N -6.12 6.40 0.47 0.55 1.01 -1.25 -4.87 116.67 112.86 1s46 s ASP 154 Ca -0.24 0.47 -0.21 0.00 0.71 0.00 0.00 52.55 53.28 1s46 s ASP 154 Cb 0.08 -2.22 -0.08 0.00 1.01 0.00 0.00 42.92 41.70 1s46 s ASP 154 CO 0.70 -0.09 1.05 -0.69 0.21 0.00 0.00 175.17 176.35 1s46 s VAL 155 N 1.43 3.74 -0.11 -1.27 1.01 -1.26 -0.38 120.40 123.55 1s46 s VAL 155 Ca 0.18 1.14 -0.31 0.00 0.00 0.00 0.00 61.98 62.98 1s46 s VAL 155 Cb -0.15 -3.49 -0.09 0.00 0.00 0.00 0.00 36.38 32.65 1s46 s VAL 155 CO 0.08 -0.18 2.04 -3.20 0.00 0.00 0.00 175.10 173.83 1s46 n ASN 156 N -0.79 3.50 0.15 3.32 5.15 0.12 -4.44 115.26 122.27 1s46 n ASN 156 Ca 0.08 0.69 0.19 0.00 -0.60 0.00 0.00 54.58 54.94 1s46 n ASN 156 Cb 0.52 -1.46 0.74 0.00 -0.53 0.00 0.00 39.78 39.04 1s46 n ASN 156 CO 0.00 0.00 0.00 1.55 1.40 0.00 0.00 177.26 180.21 1s46 h PRO 157 N 11.57 0.00 0.00 1.20 0.13 -1.91 0.43 132.00 143.42 1s46 h PRO 157 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 1s46 h PRO 157 Cb 1.26 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.39 1s46 h PRO 157 CO 0.96 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 178.73 1s46 h ALA 158 N 1.38 1.00 0.00 -0.56 0.00 -1.98 -3.17 119.26 115.93 1s46 h ALA 158 Ca 0.15 0.00 -0.35 0.00 0.00 0.00 0.00 54.91 54.72 1s46 h ALA 158 Cb 1.07 0.00 -0.07 0.00 0.00 0.00 0.00 17.79 18.80 1s46 h ALA 158 CO -0.00 0.00 -2.35 1.28 0.00 0.00 0.00 179.25 178.18 1s46 n LEU 159 N -2.98 0.00 0.00 0.00 4.77 0.10 -4.69 117.00 114.20 1s46 n LEU 159 Ca 0.02 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.00 1s46 n LEU 159 Cb 0.38 0.47 0.00 0.00 -2.33 0.00 0.00 43.42 41.94 1s46 n LEU 159 CO 0.29 0.47 0.00 0.61 -1.33 0.00 0.00 177.39 177.43 1s46 n GLY 160 N 1.75 0.74 3.93 -0.72 0.00 -0.92 -0.89 105.19 109.09 1s46 n GLY 160 Ca -0.31 -1.72 -0.25 0.00 0.00 0.00 0.00 46.02 43.74 1s46 n GLY 160 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1s46 s THR 161 N -3.19 1.73 0.20 2.61 -4.23 -1.26 -4.08 115.64 107.42 1s46 s THR 161 Ca 0.00 -1.39 0.19 0.00 -1.18 0.00 0.00 61.69 59.31 1s46 s THR 161 Cb 0.00 -2.12 0.15 0.00 1.34 0.00 0.00 72.50 71.87 1s46 s THR 161 CO 0.00 0.00 1.77 -0.29 -0.54 0.00 0.00 174.62 175.56 1s46 h ILE 162 N 0.62 0.87 -0.04 2.99 6.09 -1.91 -2.84 117.51 123.29 1s46 h ILE 162 Ca -0.35 -1.40 -0.18 0.00 -1.37 0.00 0.00 64.86 61.56 1s46 h ILE 162 Cb 1.30 1.85 -0.01 0.00 0.47 0.00 0.00 36.82 40.44 1s46 h ILE 162 CO 0.54 0.34 -0.77 1.23 -3.07 0.00 0.00 178.15 176.42 1s46 h GLY 163 N 1.89 0.31 1.75 8.18 0.00 -1.99 -2.85 103.07 110.37 1s46 h GLY 163 Ca -0.00 -0.47 -0.09 0.00 0.00 0.00 0.00 47.33 46.76 1s46 h GLY 163 CO 0.04 0.42 -0.32 -0.55 0.00 0.00 0.00 176.54 176.14 1s46 h ASP 164 N 0.18 0.29 -0.17 0.19 3.32 -1.90 -2.59 116.42 115.75 1s46 h ASP 164 Ca -0.03 -0.10 -0.18 0.00 0.02 0.00 0.00 57.03 56.73 1s46 h ASP 164 Cb 1.35 -0.08 -0.00 0.00 0.22 0.00 0.00 39.33 40.82 1s46 h ASP 164 CO 0.12 0.60 -0.57 0.25 -1.72 0.00 0.00 179.24 177.93 1s46 h LEU 165 N 0.25 0.85 -1.17 1.55 5.85 -1.42 -2.13 115.31 119.09 1s46 h LEU 165 Ca 0.03 -0.46 -0.06 0.00 0.84 0.00 0.00 57.88 58.23 1s46 h LEU 165 Cb 0.69 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 41.46 1s46 h LEU 165 CO 0.05 1.24 -0.10 0.03 -0.34 0.00 0.00 178.44 179.32 1s46 h ARG 166 N 0.58 0.46 -0.25 1.25 3.08 -1.31 -1.26 114.38 116.92 1s46 h ARG 166 Ca 0.01 -0.12 -0.18 0.00 0.07 0.00 0.00 59.98 59.76 1s46 h ARG 166 Cb 1.15 -0.05 -0.00 0.00 0.08 0.00 0.00 29.97 31.15 1s46 h ARG 166 CO 0.12 0.56 -0.55 0.93 -1.07 0.00 0.00 179.97 179.96 1s46 h GLU 167 N 0.43 0.77 -0.14 0.04 5.08 -1.34 -2.23 114.58 117.18 1s46 h GLU 167 Ca 0.08 -0.49 -0.03 0.00 -1.00 0.00 0.00 59.36 57.92 1s46 h GLU 167 Cb 0.44 0.06 -0.00 0.00 0.50 0.00 0.00 28.75 29.74 1s46 h GLU 167 CO 0.02 1.11 -0.04 0.28 -1.00 0.00 0.00 179.01 179.39 1s46 h VAL 168 N 0.59 1.30 -0.86 3.13 2.07 -1.04 -1.52 116.25 119.91 1s46 h VAL 168 Ca 0.01 -1.02 -0.03 0.00 0.82 0.00 0.00 66.70 66.49 1s46 h VAL 168 Cb 1.14 1.67 -0.04 0.00 -1.52 0.00 0.00 31.29 32.54 1s46 h VAL 168 CO 0.12 0.30 0.44 0.40 0.02 0.00 0.00 177.57 178.84 1s46 h ILE 169 N -0.03 1.26 -0.20 4.57 2.04 -1.26 -0.02 117.51 123.86 1s46 h ILE 169 Ca 0.04 -0.70 -0.14 0.00 1.00 0.00 0.00 64.86 65.06 1s46 h ILE 169 Cb 0.48 0.13 -0.01 0.00 -0.74 0.00 0.00 36.82 36.68 1s46 h ILE 169 CO 0.02 0.30 -0.45 0.00 0.00 0.00 0.00 178.15 178.02 1s46 h ALA 170 N 1.26 0.83 0.00 1.87 0.00 -1.38 -1.93 119.26 119.92 1s46 h ALA 170 Ca 0.30 -0.46 -0.10 0.00 0.00 0.00 0.00 54.91 54.64 1s46 h ALA 170 Cb 0.08 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 1s46 h ALA 170 CO -0.04 0.66 -0.50 0.00 0.00 0.00 0.00 179.25 179.37 1s46 h ALA 171 N 1.09 0.92 -0.12 0.00 0.00 -0.78 -2.27 119.26 118.11 1s46 h ALA 171 Ca 0.03 -0.45 -0.22 0.00 0.00 0.00 0.00 54.91 54.27 1s46 h ALA 171 Cb 0.96 -0.08 0.01 0.00 0.00 0.00 0.00 17.79 18.68 1s46 h ALA 171 CO 0.08 0.62 -0.77 -0.07 0.00 0.00 0.00 179.25 179.11 1s46 h LEU 172 N 0.00 0.89 -1.11 0.00 3.38 -0.78 -2.91 115.31 114.78 1s46 h LEU 172 Ca -0.00 -0.65 -0.07 0.00 0.09 0.00 0.00 57.88 57.25 1s46 h LEU 172 Cb 1.05 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 41.52 1s46 h LEU 172 CO 0.06 1.40 -0.07 0.45 0.09 0.00 0.00 178.44 180.37 1s46 h HIS 173 N 0.44 0.58 0.00 1.13 3.86 -1.20 0.22 115.15 120.18 1s46 h HIS 173 Ca -0.06 -0.08 -0.10 0.00 -1.16 0.00 0.00 60.37 58.97 1s46 h HIS 173 Cb 1.41 -0.16 -0.01 0.00 1.06 0.00 0.00 27.41 29.71 1s46 h HIS 173 CO 0.10 0.61 -0.46 1.49 0.86 0.00 0.00 177.93 180.53 1s46 h GLU 174 N 0.51 0.00 -0.01 2.45 4.22 -1.44 -2.73 114.58 117.59 1s46 h GLU 174 Ca 0.10 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.54 1s46 h GLU 174 Cb 0.44 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.69 1s46 h GLU 174 CO 0.02 0.46 -0.03 0.00 -2.18 0.00 0.00 179.01 177.28 1s46 n ALA 175 N -2.33 2.65 -1.77 2.92 0.00 -0.89 -4.92 120.51 116.17 1s46 n ALA 175 Ca -0.00 -0.39 -0.02 0.00 0.00 0.00 0.00 53.44 53.02 1s46 n ALA 175 Cb 0.55 -1.23 -0.00 0.00 0.00 0.00 0.00 19.45 18.77 1s46 n ALA 175 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1s46 n GLY 176 N 1.17 0.36 3.36 0.00 0.00 -0.96 -4.99 105.19 104.12 1s46 n GLY 176 Ca 0.19 -0.86 -0.33 0.00 0.00 0.00 0.00 46.02 45.02 1s46 n GLY 176 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1s46 s ILE 177 N -2.09 2.86 0.16 -0.61 1.01 0.71 -4.59 121.20 118.64 1s46 s ILE 177 Ca 0.00 -0.74 -0.26 0.00 0.00 0.00 0.00 60.65 59.65 1s46 s ILE 177 Cb 0.00 -2.17 -0.08 0.00 0.01 0.00 0.00 42.46 40.22 1s46 s ILE 177 CO 0.00 0.54 0.81 -0.44 0.00 0.00 0.00 174.94 175.85 1s46 s SER 178 N 0.19 7.41 -0.22 3.58 0.01 -0.42 -3.11 113.70 121.13 1s46 s SER 178 Ca -0.09 1.67 -0.18 0.00 1.31 0.00 0.00 55.95 58.67 1s46 s SER 178 Cb -0.15 -2.52 -0.03 0.00 0.21 0.00 0.00 66.02 63.53 1s46 s SER 178 CO 0.05 0.16 0.49 0.00 0.41 0.00 0.00 173.24 174.35 1s46 s ALA 179 N -0.92 3.56 -0.09 1.44 0.00 -1.26 -1.23 121.76 123.25 1s46 s ALA 179 Ca 0.38 -0.52 0.03 0.00 0.00 0.00 0.00 51.96 51.85 1s46 s ALA 179 Cb -0.23 -2.80 0.01 0.00 0.00 0.00 0.00 23.12 20.10 1s46 s ALA 179 CO 0.27 -0.52 -0.17 0.08 0.00 0.00 0.00 175.76 175.42 1s46 s VAL 180 N 1.81 1.57 0.26 0.00 1.01 -0.60 -0.42 120.40 124.03 1s46 s VAL 180 Ca 0.22 -0.71 0.02 0.00 0.00 0.00 0.00 61.98 61.50 1s46 s VAL 180 Cb -0.15 -1.40 -0.04 0.00 0.00 0.00 0.00 36.38 34.78 1s46 s VAL 180 CO 0.09 0.45 0.14 0.68 0.00 0.00 0.00 175.10 176.46 1s46 s VAL 181 N 0.71 0.30 0.30 2.92 -7.23 -1.08 -1.06 120.40 115.26 1s46 s VAL 181 Ca -0.12 -2.00 -0.20 0.00 -1.81 0.00 0.00 61.98 57.84 1s46 s VAL 181 Cb -0.16 -2.55 -0.09 0.00 0.56 0.00 0.00 36.38 34.14 1s46 s VAL 181 CO 0.03 0.00 0.81 -1.81 -0.31 0.00 0.00 175.10 173.82 1s46 s ASP 182 N -3.30 7.04 -0.55 4.85 1.11 -1.26 -0.67 116.67 123.89 1s46 s ASP 182 Ca 0.37 1.52 0.04 0.00 0.18 0.00 0.00 52.55 54.67 1s46 s ASP 182 Cb 0.06 -2.46 0.14 0.00 1.07 0.00 0.00 42.92 41.73 1s46 s ASP 182 CO 0.15 -0.11 0.30 0.12 1.18 0.00 0.00 175.17 176.81 1s46 s PHE 183 N -1.76 3.15 -0.98 4.23 5.36 -0.07 -4.78 117.98 123.14 1s46 s PHE 183 Ca 0.50 -3.15 -0.24 0.00 -0.96 0.00 0.00 56.93 53.09 1s46 s PHE 183 Cb -0.14 -2.73 0.04 0.00 -0.34 0.00 0.00 43.02 39.85 1s46 s PHE 183 CO 0.19 -0.71 1.47 0.42 -1.46 0.00 0.00 175.22 175.14 1s46 s ILE 184 N -0.45 3.86 -0.32 3.12 1.01 -1.26 -4.06 121.20 123.10 1s46 s ILE 184 Ca 0.18 -0.59 0.08 0.00 0.00 0.00 0.00 60.65 60.33 1s46 s ILE 184 Cb -0.22 -4.96 -0.10 0.00 0.01 0.00 0.00 42.46 37.20 1s46 s ILE 184 CO -0.03 -1.85 0.32 2.22 0.00 0.00 0.00 174.94 175.60 1s46 n PHE 185 N 9.35 0.00 0.10 3.97 -1.74 -1.26 -4.58 117.46 123.30 1s46 n PHE 185 Ca 0.30 0.00 -0.02 0.00 -0.56 0.00 0.00 57.45 57.17 1s46 n PHE 185 Cb 0.50 -0.04 -0.03 0.00 1.52 0.00 0.00 39.48 41.44 1s46 n PHE 185 CO 0.00 0.00 0.00 -0.97 -0.56 0.00 0.00 176.76 175.23 1s46 h ASN 186 N 0.00 0.00 -5.09 5.98 -0.73 -1.85 -3.44 115.58 110.45 1s46 h ASN 186 Ca 0.00 0.00 -0.07 0.00 1.87 0.00 0.00 56.30 58.10 1s46 h ASN 186 Cb 0.23 0.00 -0.14 0.00 0.27 0.00 0.00 38.32 38.68 1s46 h ASN 186 CO 0.00 0.74 -0.18 -1.38 -0.37 0.00 0.00 177.43 176.24 1s46 s HIS 187 N -2.88 -0.09 0.34 0.67 -3.43 -1.26 -0.36 115.29 108.28 1s46 s HIS 187 Ca 0.02 -0.21 0.03 0.00 -0.80 0.00 0.00 55.06 54.11 1s46 s HIS 187 Cb 0.09 0.14 -0.05 0.00 -1.43 0.00 0.00 32.58 31.34 1s46 s HIS 187 CO 0.78 -0.62 0.09 0.95 -2.00 0.00 0.00 174.74 173.94 1s46 s THR 188 N -3.53 0.85 0.76 -5.38 -4.23 -0.94 -4.75 115.64 98.42 1s46 s THR 188 Ca 0.02 -2.00 -0.11 0.00 -1.18 0.00 0.00 61.69 58.42 1s46 s THR 188 Cb 0.02 -2.60 0.05 0.00 1.34 0.00 0.00 72.50 71.31 1s46 s THR 188 CO -0.10 0.00 1.08 -0.55 -0.54 0.00 0.00 174.62 174.51 1s46 s SER 189 N -3.50 4.78 0.00 3.99 0.15 -0.27 -1.07 113.70 117.78 1s46 s SER 189 Ca 0.32 1.47 0.26 0.00 0.70 0.00 0.00 55.95 58.70 1s46 s SER 189 Cb 0.06 -2.25 1.18 0.00 -1.71 0.00 0.00 66.02 63.30 1s46 s SER 189 CO 0.15 -1.80 1.86 -0.46 1.20 0.00 0.00 173.24 174.18 1s46 n ASN 190 N -3.34 0.00 -1.15 5.45 6.94 -0.37 -2.71 115.26 120.07 1s46 n ASN 190 Ca 0.07 0.37 0.11 0.00 -0.02 0.00 0.00 54.58 55.11 1s46 n ASN 190 Cb 0.55 -0.45 0.24 0.00 -2.36 0.00 0.00 39.78 37.76 1s46 n ASN 190 CO 0.00 0.00 0.00 -0.62 -1.03 0.00 0.00 177.26 175.61 1s46 n GLU 191 N -1.45 2.55 -2.58 -3.83 1.02 -1.26 -4.27 120.64 110.81 1s46 n GLU 191 Ca 0.08 -2.37 -0.36 0.00 -0.02 0.00 0.00 57.16 54.49 1s46 n GLU 191 Cb 0.29 -1.50 -0.04 0.00 -0.02 0.00 0.00 31.44 30.17 1s46 n GLU 191 CO 0.00 0.00 0.00 -1.58 1.18 0.00 0.00 177.13 176.73 1s46 s HIS 192 N -1.23 3.24 0.27 -0.32 2.46 -1.10 -4.89 115.29 113.72 1s46 s HIS 192 Ca 0.40 1.64 0.01 0.00 0.47 0.00 0.00 55.06 57.57 1s46 s HIS 192 Cb 0.22 -3.08 0.56 0.00 -0.13 0.00 0.00 32.58 30.16 1s46 s HIS 192 CO 0.30 -0.57 1.79 1.49 -2.47 0.00 0.00 174.74 175.28 1s46 h GLU 193 N 2.28 0.75 -0.58 2.88 4.81 -1.91 -1.23 114.58 121.58 1s46 h GLU 193 Ca -0.48 -0.05 -0.07 0.00 -0.13 0.00 0.00 59.36 58.63 1s46 h GLU 193 Cb 1.21 -0.17 -0.02 0.00 0.63 0.00 0.00 28.75 30.40 1s46 h GLU 193 CO 0.62 0.50 0.08 -1.49 -0.73 0.00 0.00 179.01 177.98 1s46 h TRP 194 N 0.77 0.99 -0.02 0.92 6.55 -1.94 -2.07 115.95 121.15 1s46 h TRP 194 Ca 0.49 -0.13 -0.00 0.00 0.95 0.00 0.00 58.89 60.20 1s46 h TRP 194 Cb 0.63 -0.27 -0.00 0.00 -0.86 0.00 0.00 29.16 28.65 1s46 h TRP 194 CO -0.05 0.85 -0.00 0.00 -1.05 0.00 0.00 178.44 178.19 1s46 h ALA 195 N 1.20 0.03 -0.73 1.49 0.00 -1.54 -1.32 119.26 118.39 1s46 h ALA 195 Ca 0.18 -0.18 -0.04 0.00 0.00 0.00 0.00 54.91 54.87 1s46 h ALA 195 Cb 0.41 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.16 1s46 h ALA 195 CO 0.01 -0.29 0.29 1.96 0.00 0.00 0.00 179.25 181.22 1s46 h GLN 196 N -0.29 1.08 -0.17 0.00 4.20 -1.31 -2.14 115.11 116.48 1s46 h GLN 196 Ca 0.01 -0.19 -0.16 0.00 0.06 0.00 0.00 58.65 58.36 1s46 h GLN 196 Cb 0.35 -0.18 -0.01 0.00 0.30 0.00 0.00 27.48 27.95 1s46 h GLN 196 CO 0.00 0.89 -0.55 0.00 -0.67 0.00 0.00 178.83 178.50 1s46 h ARG 197 N 1.04 0.52 -0.38 1.46 3.08 -1.39 -1.28 114.38 117.43 1s46 h ARG 197 Ca 0.24 -0.33 -0.08 0.00 0.07 0.00 0.00 59.98 59.89 1s46 h ARG 197 Cb 0.21 0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.28 1s46 h ARG 197 CO -0.02 0.93 -0.07 0.00 -1.07 0.00 0.00 179.97 179.74 1s46 h ALA 199 N 0.84 0.96 0.00 0.00 0.00 -1.37 -3.01 119.26 116.69 1s46 h ALA 199 Ca 0.10 -0.55 0.00 0.00 0.00 0.00 0.00 54.91 54.46 1s46 h ALA 199 Cb 0.58 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.27 1s46 h ALA 199 CO 0.03 0.75 0.00 0.00 0.00 0.00 0.00 179.25 180.04 1s46 n ALA 200 N -2.43 2.03 -0.22 0.00 0.00 -0.49 -4.93 120.51 114.47 1s46 n ALA 200 Ca -0.01 0.02 0.00 0.00 0.00 0.00 0.00 53.44 53.45 1s46 n ALA 200 Cb 0.61 -1.44 0.00 0.00 0.00 0.00 0.00 19.45 18.62 1s46 n ALA 200 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1s46 n GLY 201 N 0.77 0.87 3.66 0.00 0.00 -1.00 -5.06 105.19 104.44 1s46 n GLY 201 Ca 0.04 -0.19 -0.42 0.00 0.00 0.00 0.00 46.02 45.45 1s46 n GLY 201 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1s46 s ASP 202 N -2.17 6.72 0.57 1.61 -1.08 -0.39 -4.90 116.67 117.03 1s46 s ASP 202 Ca 0.00 2.15 0.38 0.00 -0.52 0.00 0.00 52.55 54.56 1s46 s ASP 202 Cb 0.00 -2.54 2.03 0.00 -1.46 0.00 0.00 42.92 40.95 1s46 s ASP 202 CO 0.00 -0.88 2.17 1.55 0.52 0.00 0.00 175.17 178.53 1s46 h PRO 203 N 9.14 0.00 0.00 4.34 0.13 -1.96 -2.14 132.00 141.50 1s46 h PRO 203 Ca -0.37 0.00 -0.14 0.00 -0.87 0.00 0.00 66.00 64.61 1s46 h PRO 203 Cb 1.17 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.28 1s46 h PRO 203 CO 0.95 0.00 -0.69 1.25 -0.23 0.00 0.00 178.00 179.28 1s46 h LEU 204 N 0.00 0.00 -3.42 1.56 5.85 -1.95 -3.24 115.31 114.11 1s46 h LEU 204 Ca 0.00 0.00 -0.22 0.00 0.84 0.00 0.00 57.88 58.50 1s46 h LEU 204 Cb 0.06 0.00 -0.13 0.00 0.37 0.00 0.00 40.66 40.96 1s46 h LEU 204 CO 0.00 0.69 -0.03 0.49 -0.34 0.00 0.00 178.44 179.24 1s46 n PHE 205 N -3.49 1.29 -2.48 1.25 3.01 -0.82 -5.02 117.46 111.21 1s46 n PHE 205 Ca -0.00 -1.67 -0.41 0.00 1.01 0.00 0.00 57.45 56.39 1s46 n PHE 205 Cb 0.73 -0.54 -0.04 0.00 -0.01 0.00 0.00 39.48 39.62 1s46 n PHE 205 CO 0.00 0.00 0.00 0.34 1.01 0.00 0.00 176.76 178.11 1s46 s ASP 206 N -2.47 7.25 -1.61 4.37 2.15 -1.16 -3.40 116.67 121.81 1s46 s ASP 206 Ca 0.46 2.22 -0.03 0.00 0.43 0.00 0.00 52.55 55.62 1s46 s ASP 206 Cb 0.42 -2.62 0.01 0.00 -0.30 0.00 0.00 42.92 40.42 1s46 s ASP 206 CO 0.00 -0.18 0.42 -3.20 -0.17 0.00 0.00 175.17 172.04 1s46 n ASN 207 N 1.63 -5.96 0.12 -0.34 5.15 -1.26 -4.89 115.26 109.72 1s46 n ASN 207 Ca 0.00 -0.20 0.12 0.00 -0.60 0.00 0.00 54.58 53.90 1s46 n ASN 207 Cb 0.45 -4.86 0.12 0.00 -0.53 0.00 0.00 39.78 34.96 1s46 n ASN 207 CO 0.00 0.00 0.00 -0.26 1.40 0.00 0.00 177.26 178.40 1s46 h PHE 208 N -0.95 0.00 -4.54 1.20 -1.00 -1.87 -3.43 116.94 106.34 1s46 h PHE 208 Ca -0.51 0.00 -0.41 0.00 2.81 0.00 0.00 57.97 59.85 1s46 h PHE 208 Cb 1.36 0.00 -0.14 0.00 3.61 0.00 0.00 35.95 40.78 1s46 h PHE 208 CO 0.55 0.00 -0.53 0.71 -1.61 0.00 0.00 178.31 177.42 1s46 s TYR 209 N -3.25 1.59 -0.65 -0.55 1.51 -1.26 -0.71 117.35 114.03 1s46 s TYR 209 Ca 0.04 -1.53 -0.11 0.00 -1.01 0.00 0.00 57.07 54.46 1s46 s TYR 209 Cb 0.10 -0.73 0.17 0.00 -0.11 0.00 0.00 41.96 41.39 1s46 s TYR 209 CO 0.73 -0.73 0.55 0.71 -1.11 0.00 0.00 175.55 175.70 1s46 s TYR 210 N -3.63 3.52 -0.15 2.71 1.51 -1.25 -4.74 117.35 115.32 1s46 s TYR 210 Ca 0.39 -1.99 -0.04 0.00 -1.01 0.00 0.00 57.07 54.42 1s46 s TYR 210 Cb 0.04 -3.61 -0.03 0.00 -0.11 0.00 0.00 41.96 38.25 1s46 s TYR 210 CO 0.21 -0.97 -0.04 0.42 -1.11 0.00 0.00 175.55 174.07 1s46 s ILE 211 N 0.67 3.91 0.09 2.71 1.01 -1.26 -1.87 121.20 126.46 1s46 s ILE 211 Ca 0.12 -0.35 0.10 0.00 0.00 0.00 0.00 60.65 60.52 1s46 s ILE 211 Cb -0.20 -2.71 -0.03 0.00 0.01 0.00 0.00 42.46 39.53 1s46 s ILE 211 CO -0.04 0.50 -0.27 -0.36 0.00 0.00 0.00 174.94 174.78 1s46 s PHE 212 N 0.29 2.30 0.27 3.97 0.08 0.11 -4.99 117.98 120.00 1s46 s PHE 212 Ca -0.03 -0.40 0.07 0.00 0.12 0.00 0.00 56.93 56.69 1s46 s PHE 212 Cb -0.14 -1.31 0.35 0.00 -0.57 0.00 0.00 43.02 41.35 1s46 s PHE 212 CO 0.03 0.24 1.62 -1.00 -0.10 0.00 0.00 175.22 176.01 1s46 h PRO 213 N 4.31 0.17 0.00 0.24 0.13 -1.93 0.23 132.00 135.14 1s46 h PRO 213 Ca -0.49 -0.10 0.00 0.00 -0.87 0.00 0.00 66.00 64.54 1s46 h PRO 213 Cb 1.16 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.30 1s46 h PRO 213 CO 0.41 0.67 0.00 -0.40 -0.23 0.00 0.00 178.00 178.46 1s46 n ASP 214 N -3.90 0.00 -0.45 1.44 5.68 -1.26 -4.44 116.55 113.62 1s46 n ASP 214 Ca -0.02 0.00 0.14 0.00 -0.50 0.00 0.00 54.79 54.41 1s46 n ASP 214 Cb 0.57 0.00 0.52 0.00 -1.14 0.00 0.00 41.12 41.08 1s46 n ASP 214 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 1s46 n ARG 215 N 0.00 1.59 0.30 0.11 5.12 -1.26 -4.50 116.66 118.02 1s46 n ARG 215 Ca 0.00 -0.91 -0.18 0.00 -1.93 0.00 0.00 57.85 54.83 1s46 n ARG 215 Cb 0.00 -1.48 -0.10 0.00 -1.16 0.00 0.00 32.46 29.72 1s46 n ARG 215 CO 0.00 0.00 0.00 -0.09 -1.93 0.00 0.00 177.63 175.61 1s46 h ARG 216 N 2.21 -0.99 -0.17 5.56 2.43 -2.00 -0.73 114.38 120.70 1s46 h ARG 216 Ca 0.00 0.07 -0.15 0.00 -0.81 0.00 0.00 59.98 59.09 1s46 h ARG 216 Cb 0.49 0.22 0.00 0.00 -0.42 0.00 0.00 29.97 30.27 1s46 h ARG 216 CO 0.00 -0.66 -0.49 0.52 -1.51 0.00 0.00 179.97 177.83 1s46 h MET 217 N -1.03 0.62 -0.75 0.20 2.86 -2.01 -3.13 114.93 111.71 1s46 h MET 217 Ca -0.07 -0.45 0.09 0.00 -2.06 0.00 0.00 59.70 57.22 1s46 h MET 217 Cb 0.89 0.07 -0.05 0.00 0.06 0.00 0.00 31.60 32.57 1s46 h MET 217 CO -0.06 1.07 0.49 -1.35 1.06 0.00 0.00 176.91 178.12 1s46 h PRO 218 N 0.29 0.67 -0.34 -0.22 0.11 -1.77 -1.38 132.00 129.36 1s46 h PRO 218 Ca -0.01 -0.04 -0.14 0.00 0.11 0.00 0.00 66.00 65.92 1s46 h PRO 218 Cb 1.11 -0.15 -0.01 0.00 0.11 0.00 0.00 31.00 32.05 1s46 h PRO 218 CO 0.10 0.44 -0.35 -0.44 -0.21 0.00 0.00 178.00 177.54 1s46 h ASP 219 N 0.69 0.81 -0.03 -2.05 3.32 -1.18 -1.65 116.42 116.32 1s46 h ASP 219 Ca 0.34 -0.35 -0.14 0.00 0.02 0.00 0.00 57.03 56.91 1s46 h ASP 219 Cb 0.41 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 39.73 1s46 h ASP 219 CO -0.12 1.08 -0.42 1.56 -1.72 0.00 0.00 179.24 179.61 1s46 h GLN 220 N 0.64 0.55 -0.16 3.56 4.20 -1.33 -3.16 115.11 119.40 1s46 h GLN 220 Ca 0.06 -0.29 -0.19 0.00 0.06 0.00 0.00 58.65 58.29 1s46 h GLN 220 Cb 0.89 0.01 0.01 0.00 0.30 0.00 0.00 27.48 28.69 1s46 h GLN 220 CO 0.08 0.88 -0.64 1.88 -0.67 0.00 0.00 178.83 180.36 1s46 h TYR 221 N 0.45 0.96 0.00 2.96 0.05 -1.20 -3.26 116.97 116.92 1s46 h TYR 221 Ca 0.04 -0.40 0.00 0.00 0.05 0.00 0.00 58.73 58.41 1s46 h TYR 221 Cb 0.93 -0.15 0.00 0.00 1.01 0.00 0.00 36.73 38.51 1s46 h TYR 221 CO 0.04 1.22 0.02 -0.25 -1.05 0.00 0.00 178.16 178.14 1s46 n ASP 222 N -4.06 0.46 0.21 3.88 8.00 -0.63 -2.15 116.55 122.26 1s46 n ASP 222 Ca -0.07 0.71 0.05 0.00 0.71 0.00 0.00 54.79 56.19 1s46 n ASP 222 Cb 0.67 -0.76 0.46 0.00 -0.02 0.00 0.00 41.12 41.48 1s46 n ASP 222 CO 0.00 0.00 0.00 0.03 -0.39 0.00 0.00 177.20 176.84 1s46 h ARG 223 N 0.00 0.00 0.00 -1.24 3.08 -1.60 -3.25 114.38 111.37 1s46 h ARG 223 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1s46 h ARG 223 Cb 0.04 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.09 1s46 h ARG 223 CO 0.00 0.28 0.00 0.25 -1.07 0.00 0.00 179.97 179.43 1s46 n THR 224 N -4.01 0.16 -3.00 2.04 -2.24 -0.91 -5.06 114.28 101.26 1s46 n THR 224 Ca -0.02 -0.54 -0.40 0.00 -2.27 0.00 0.00 64.05 60.82 1s46 n THR 224 Cb 0.35 0.98 -0.05 0.00 -2.10 0.00 0.00 70.33 69.51 1s46 n THR 224 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1s46 s LEU 225 N -0.16 4.43 0.18 3.22 1.43 -1.15 -4.22 118.68 122.41 1s46 s LEU 225 Ca 0.00 1.40 -0.25 0.00 -1.03 0.00 0.00 54.13 54.25 1s46 s LEU 225 Cb 0.00 -3.20 -0.08 0.00 0.03 0.00 0.00 46.19 42.94 1s46 s LEU 225 CO 0.00 0.00 0.78 -0.60 0.23 0.00 0.00 176.35 176.76 1s46 s ARG 226 N 0.05 4.54 -0.27 1.70 3.52 -1.26 -4.93 118.95 122.30 1s46 s ARG 226 Ca 0.38 1.14 -0.18 0.00 -0.13 0.00 0.00 55.73 56.94 1s46 s ARG 226 Cb -0.20 -3.19 -0.02 0.00 -1.56 0.00 0.00 34.95 29.98 1s46 s ARG 226 CO 0.22 0.53 0.53 -1.21 -0.81 0.00 0.00 175.30 174.57 1s46 s GLU 227 N -1.30 4.03 -0.16 5.12 2.02 -1.26 -4.83 118.70 122.33 1s46 s GLU 227 Ca 0.37 0.31 -0.23 0.00 0.02 0.00 0.00 54.97 55.45 1s46 s GLU 227 Cb -0.22 -3.67 -0.24 0.00 0.10 0.00 0.00 34.13 30.11 1s46 s GLU 227 CO 0.26 -0.39 0.49 0.82 0.02 0.00 0.00 175.26 176.46 1s46 h ILE 228 N 5.42 1.24 -2.75 -1.63 1.08 -1.87 -3.41 117.51 115.60 1s46 h ILE 228 Ca -0.29 -2.30 -0.61 0.00 -0.39 0.00 0.00 64.86 61.28 1s46 h ILE 228 Cb 1.14 2.74 -0.41 0.00 -3.07 0.00 0.00 36.82 37.21 1s46 h ILE 228 CO 0.73 0.51 -0.65 0.49 -0.69 0.00 0.00 178.15 178.54 1s46 n PHE 229 N -4.36 2.71 0.29 1.37 3.72 -1.26 -4.96 117.46 114.97 1s46 n PHE 229 Ca -0.23 -4.13 0.16 0.00 -0.05 0.00 0.00 57.45 53.20 1s46 n PHE 229 Cb 0.67 -0.50 0.76 0.00 -0.94 0.00 0.00 39.48 39.47 1s46 n PHE 229 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 1s46 h PRO 230 N 5.08 0.00 0.00 -1.08 0.13 -1.81 -2.57 132.00 131.75 1s46 h PRO 230 Ca 0.17 0.00 -0.11 0.00 -0.87 0.00 0.00 66.00 65.19 1s46 h PRO 230 Cb 0.75 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.87 1s46 h PRO 230 CO 0.69 0.00 -0.54 -0.44 -0.23 0.00 0.00 178.00 177.49 1s46 h ASP 231 N 0.00 0.00 0.10 1.44 3.32 -1.93 -3.33 116.42 116.02 1s46 h ASP 231 Ca 0.00 0.00 -0.17 0.00 0.02 0.00 0.00 57.03 56.88 1s46 h ASP 231 Cb 0.19 0.00 0.01 0.00 0.22 0.00 0.00 39.33 39.74 1s46 h ASP 231 CO 0.00 0.54 -0.82 1.56 -1.72 0.00 0.00 179.24 178.80 1s46 h GLN 232 N 0.00 0.21 -1.85 3.56 1.08 -1.86 -3.49 115.11 112.77 1s46 h GLN 232 Ca -0.01 -0.36 0.02 0.00 -1.45 0.00 0.00 58.65 56.86 1s46 h GLN 232 Cb 1.11 0.13 -0.20 0.00 -0.05 0.00 0.00 27.48 28.47 1s46 h GLN 232 CO 0.07 1.17 0.38 -3.38 -0.95 0.00 0.00 178.83 176.12 1s46 s HIS 233 N -2.39 -0.49 0.42 2.96 -3.43 -1.21 -4.96 115.29 106.18 1s46 s HIS 233 Ca -0.17 0.80 -0.22 0.00 -0.80 0.00 0.00 55.06 54.67 1s46 s HIS 233 Cb 0.01 0.44 -0.10 0.00 -1.43 0.00 0.00 32.58 31.51 1s46 s HIS 233 CO 0.77 -0.49 0.98 -1.25 -2.00 0.00 0.00 174.74 172.76 1s46 s PRO 234 N -1.38 4.19 4.45 -0.38 0.04 -1.26 -4.40 135.00 136.25 1s46 s PRO 234 Ca -0.05 1.26 0.00 0.00 0.04 0.00 0.00 61.00 62.25 1s46 s PRO 234 Cb -0.00 -2.31 0.00 0.00 0.04 0.00 0.00 34.50 32.22 1s46 s PRO 234 CO 0.04 -0.08 0.00 0.41 0.04 0.00 0.00 177.00 177.41 1s46 n GLY 235 N -0.22 1.33 0.52 0.56 0.00 -1.26 -4.03 105.19 102.09 1s46 n GLY 235 Ca 0.06 -0.65 0.07 0.00 0.00 0.00 0.00 46.02 45.50 1s46 n GLY 235 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1s46 n GLY 236 N 0.00 4.67 3.12 -0.02 0.00 -1.26 -4.78 105.19 106.92 1s46 n GLY 236 Ca 0.00 -1.20 -0.17 0.00 0.00 0.00 0.00 46.02 44.65 1s46 n GLY 236 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1s46 s PHE 237 N -2.84 1.00 0.05 1.61 0.08 -1.26 -0.78 117.98 115.85 1s46 s PHE 237 Ca 0.35 -0.42 0.03 0.00 0.12 0.00 0.00 56.93 57.01 1s46 s PHE 237 Cb 0.34 -0.58 -0.03 0.00 -0.57 0.00 0.00 43.02 42.18 1s46 s PHE 237 CO -0.05 0.01 -0.10 -1.12 -0.10 0.00 0.00 175.22 173.85 1s46 s SER 238 N -1.45 1.20 0.03 1.36 0.01 -0.75 -4.73 113.70 109.37 1s46 s SER 238 Ca -0.03 -0.58 -0.07 0.00 1.31 0.00 0.00 55.95 56.57 1s46 s SER 238 Cb -0.09 0.00 -0.05 0.00 0.21 0.00 0.00 66.02 66.09 1s46 s SER 238 CO 0.01 -0.15 0.30 -1.58 0.41 0.00 0.00 173.24 172.24 1s46 s GLN 239 N -1.66 3.63 0.61 12.44 0.74 -1.26 -1.05 119.66 133.11 1s46 s GLN 239 Ca -0.07 -0.01 0.01 0.00 0.05 0.00 0.00 55.36 55.35 1s46 s GLN 239 Cb -0.10 -3.06 0.07 0.00 1.10 0.00 0.00 33.01 31.02 1s46 s GLN 239 CO 0.01 0.62 0.85 -0.51 -0.55 0.00 0.00 175.29 175.71 1s46 s LEU 240 N -1.81 3.16 0.47 3.68 1.43 -0.09 -4.99 118.68 120.54 1s46 s LEU 240 Ca 0.29 -0.17 0.25 0.00 -1.03 0.00 0.00 54.13 53.46 1s46 s LEU 240 Cb -0.13 -2.51 1.15 0.00 0.03 0.00 0.00 46.19 44.73 1s46 s LEU 240 CO 0.17 -1.40 1.94 -0.33 0.23 0.00 0.00 176.35 176.96 1s46 h GLU 241 N -0.13 0.00 -0.00 1.70 3.07 -2.00 -2.96 114.58 114.26 1s46 h GLU 241 Ca -0.39 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.47 1s46 h GLU 241 Cb 1.29 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.20 1s46 h GLU 241 CO 0.48 0.19 -0.23 -0.40 -1.40 0.00 0.00 179.01 177.65 1s46 n ASP 242 N -3.55 0.40 0.00 1.42 5.68 -1.26 -4.94 116.55 114.30 1s46 n ASP 242 Ca -0.01 -0.19 0.00 0.00 -0.50 0.00 0.00 54.79 54.09 1s46 n ASP 242 Cb 0.34 -0.06 0.00 0.00 -1.14 0.00 0.00 41.12 40.26 1s46 n ASP 242 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1s46 n GLY 243 N 1.42 0.81 3.85 6.12 0.00 -1.12 -5.10 105.19 111.17 1s46 n GLY 243 Ca 0.09 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.80 1s46 n GLY 243 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1s46 s ARG 244 N -0.63 3.62 -0.06 1.61 0.52 -1.26 -4.72 118.95 118.04 1s46 s ARG 244 Ca 0.00 0.88 0.03 0.00 -0.52 0.00 0.00 55.73 56.12 1s46 s ARG 244 Cb 0.00 -2.09 -0.02 0.00 0.52 0.00 0.00 34.95 33.36 1s46 s ARG 244 CO 0.00 -0.54 -0.14 -1.58 0.02 0.00 0.00 175.30 173.05 1s46 s TRP 245 N -2.91 2.71 0.08 -0.53 0.52 0.07 -0.92 118.94 117.97 1s46 s TRP 245 Ca 0.57 -0.20 0.08 0.00 0.02 0.00 0.00 56.10 56.57 1s46 s TRP 245 Cb -0.11 -1.65 -0.03 0.00 -1.15 0.00 0.00 33.47 30.52 1s46 s TRP 245 CO 0.45 0.15 -0.20 0.54 0.02 0.00 0.00 176.95 177.90 1s46 s VAL 246 N -0.62 1.66 -0.19 4.03 0.11 -0.21 0.05 120.40 125.22 1s46 s VAL 246 Ca 0.09 -1.43 -0.29 0.00 -2.93 0.00 0.00 61.98 57.42 1s46 s VAL 246 Cb -0.11 -1.49 -0.02 0.00 -1.53 0.00 0.00 36.38 33.22 1s46 s VAL 246 CO 0.01 0.01 1.44 0.86 -3.33 0.00 0.00 175.10 174.09 1s46 s TRP 247 N -1.06 2.44 -0.40 1.54 -0.11 -0.78 -1.81 118.94 118.77 1s46 s TRP 247 Ca 0.06 0.70 0.01 0.00 1.22 0.00 0.00 56.10 58.09 1s46 s TRP 247 Cb -0.10 -3.80 0.14 0.00 -1.50 0.00 0.00 33.47 28.22 1s46 s TRP 247 CO 0.03 -2.45 0.23 0.95 -4.62 0.00 0.00 176.95 171.10 1s46 s THR 248 N 4.25 0.72 0.36 5.86 -4.23 0.04 -1.37 115.64 121.28 1s46 s THR 248 Ca 0.63 -2.15 0.06 0.00 -1.18 0.00 0.00 61.69 59.05 1s46 s THR 248 Cb -0.24 -1.52 0.17 0.00 1.34 0.00 0.00 72.50 72.26 1s46 s THR 248 CO 0.23 -0.96 1.91 0.74 -0.54 0.00 0.00 174.62 176.00 1s46 h THR 249 N 5.09 1.18 0.00 3.99 2.02 -1.78 -3.35 112.91 120.05 1s46 h THR 249 Ca 0.04 -0.69 0.00 0.00 0.77 0.00 0.00 66.41 66.53 1s46 h THR 249 Cb 0.95 0.95 0.00 0.00 -1.74 0.00 0.00 68.15 68.30 1s46 h THR 249 CO 0.37 0.24 0.00 0.49 0.37 0.00 0.00 175.52 176.98 1s46 n PHE 250 N -4.31 0.00 -1.62 3.16 3.72 -1.26 -4.38 117.46 112.76 1s46 n PHE 250 Ca 0.01 0.00 -0.30 0.00 -0.05 0.00 0.00 57.45 57.11 1s46 n PHE 250 Cb 0.22 0.00 0.06 0.00 -0.94 0.00 0.00 39.48 38.82 1s46 n PHE 250 CO 0.00 0.00 0.00 -0.80 -0.05 0.00 0.00 176.76 175.91 1s46 s ASN 251 N -0.54 5.12 0.52 4.37 -0.87 -1.26 -4.76 114.94 117.52 1s46 s ASN 251 Ca 0.00 1.43 0.18 0.00 -1.57 0.00 0.00 52.86 52.90 1s46 s ASN 251 Cb 0.00 -2.26 1.32 0.00 -0.02 0.00 0.00 41.25 40.29 1s46 s ASN 251 CO 0.00 -1.58 2.15 0.28 -2.57 0.00 0.00 177.10 175.38 1s46 h SER 252 N -0.82 0.00 -0.06 -1.22 0.02 -1.93 -1.53 113.55 108.01 1s46 h SER 252 Ca -0.45 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.50 1s46 h SER 252 Cb 1.24 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.78 1s46 h SER 252 CO 0.59 0.01 0.00 2.22 -1.14 0.00 0.00 176.83 178.51 1s46 n PHE 253 N -4.44 0.07 -3.76 3.45 1.16 -1.26 -4.66 117.46 108.02 1s46 n PHE 253 Ca -0.03 -0.04 -0.37 0.00 -1.87 0.00 0.00 57.45 55.15 1s46 n PHE 253 Cb 0.10 0.00 -0.12 0.00 -1.61 0.00 0.00 39.48 37.85 1s46 n PHE 253 CO 0.00 0.00 0.00 -0.65 -1.87 0.00 0.00 176.76 174.24 1s46 s GLN 254 N -1.93 2.19 -0.13 3.97 -0.21 -0.58 -1.24 119.66 121.74 1s46 s GLN 254 Ca 0.36 -1.67 -0.18 0.00 0.02 0.00 0.00 55.36 53.89 1s46 s GLN 254 Cb 0.19 -3.56 -0.04 0.00 1.00 0.00 0.00 33.01 30.60 1s46 s GLN 254 CO 0.30 -0.98 0.49 -1.58 -2.12 0.00 0.00 175.29 171.40 1s46 s TRP 255 N 1.21 3.49 0.05 0.91 0.52 -0.24 -4.44 118.94 120.44 1s46 s TRP 255 Ca 0.05 0.88 -0.31 0.00 0.02 0.00 0.00 56.10 56.74 1s46 s TRP 255 Cb -0.22 -2.57 -0.07 0.00 -1.15 0.00 0.00 33.47 29.46 1s46 s TRP 255 CO -0.03 0.13 1.44 -0.51 0.02 0.00 0.00 176.95 178.00 1s46 s ASP 256 N 0.70 6.80 0.35 2.95 -0.00 -0.47 -2.22 116.67 124.78 1s46 s ASP 256 Ca 0.26 2.24 -0.27 0.00 -0.00 0.00 0.00 52.55 54.78 1s46 s ASP 256 Cb -0.15 -2.57 -0.09 0.00 -0.00 0.00 0.00 42.92 40.11 1s46 s ASP 256 CO 0.10 -0.73 1.18 -0.76 -0.00 0.00 0.00 175.17 174.96 1s46 s LEU 257 N 2.04 4.36 -0.83 1.23 1.43 0.51 -3.92 118.68 123.50 1s46 s LEU 257 Ca 0.66 2.40 -0.18 0.00 -1.03 0.00 0.00 54.13 55.97 1s46 s LEU 257 Cb -0.34 -3.81 0.14 0.00 0.03 0.00 0.00 46.19 42.21 1s46 s LEU 257 CO 0.29 -0.47 0.96 0.21 0.23 0.00 0.00 176.35 177.57 1s46 s ASN 258 N -0.91 6.56 0.00 2.29 3.84 0.11 -4.90 114.94 121.93 1s46 s ASN 258 Ca 0.51 -2.03 0.17 0.00 0.21 0.00 0.00 52.86 51.72 1s46 s ASN 258 Cb -0.33 -2.34 1.04 0.00 -0.55 0.00 0.00 41.25 39.07 1s46 s ASN 258 CO 0.42 -0.98 1.50 -1.22 -2.79 0.00 0.00 177.10 174.04 1s46 n TYR 259 N 5.95 0.00 0.87 0.43 4.02 -1.26 -2.37 117.16 124.80 1s46 n TYR 259 Ca 0.14 0.00 0.13 0.00 -0.01 0.00 0.00 57.90 58.16 1s46 n TYR 259 Cb 0.47 0.00 0.49 0.00 -0.02 0.00 0.00 39.34 40.28 1s46 n TYR 259 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 176.86 174.72 1s46 n SER 260 N -0.87 0.32 -4.61 7.72 3.41 -1.26 -4.58 113.62 113.75 1s46 n SER 260 Ca 0.13 0.41 -0.38 0.00 -0.26 0.00 0.00 58.87 58.77 1s46 n SER 260 Cb 0.06 -0.45 -0.11 0.00 -0.26 0.00 0.00 64.21 63.45 1s46 n SER 260 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 175.04 175.09 1s46 s ASN 261 N -3.50 6.06 0.55 4.04 2.47 -1.00 -4.98 114.94 118.59 1s46 s ASN 261 Ca 0.12 0.04 0.23 0.00 0.42 0.00 0.00 52.86 53.68 1s46 s ASN 261 Cb 0.17 -2.13 1.51 0.00 -1.45 0.00 0.00 41.25 39.35 1s46 s ASN 261 CO 0.58 -0.04 2.14 -0.65 -3.72 0.00 0.00 177.10 175.41 1s46 h PRO 262 N 8.18 0.00 0.00 0.43 0.11 -1.87 -2.47 132.00 136.39 1s46 h PRO 262 Ca -0.35 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.74 1s46 h PRO 262 Cb 1.18 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.29 1s46 h PRO 262 CO 0.58 0.00 -0.06 -1.49 -0.21 0.00 0.00 178.00 176.82 1s46 h TRP 263 N 0.00 0.00 0.03 0.65 4.06 -1.92 -2.59 115.95 116.18 1s46 h TRP 263 Ca 0.05 0.00 -0.24 0.00 2.06 0.00 0.00 58.89 60.77 1s46 h TRP 263 Cb 0.25 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.41 1s46 h TRP 263 CO 0.00 0.06 -1.01 0.28 -3.56 0.00 0.00 178.44 174.21 1s46 h VAL 264 N 0.00 1.43 -0.23 1.49 2.07 -1.70 -1.11 116.25 118.19 1s46 h VAL 264 Ca -0.00 -2.61 -0.02 0.00 0.82 0.00 0.00 66.70 64.89 1s46 h VAL 264 Cb 0.53 2.56 -0.01 0.00 -1.52 0.00 0.00 31.29 32.85 1s46 h VAL 264 CO 0.01 0.77 0.07 0.15 0.02 0.00 0.00 177.57 178.59 1s46 h PHE 265 N 0.18 0.38 -0.07 1.57 3.57 -1.56 -0.89 116.94 120.13 1s46 h PHE 265 Ca -0.09 -0.04 0.01 0.00 3.53 0.00 0.00 57.97 61.38 1s46 h PHE 265 Cb 1.67 -0.11 -0.01 0.00 2.79 0.00 0.00 35.95 40.29 1s46 h PHE 265 CO 0.06 0.45 0.01 -0.09 -2.23 0.00 0.00 178.31 176.50 1s46 h ARG 266 N 0.20 0.03 -0.54 1.11 1.12 -1.46 0.19 114.38 115.04 1s46 h ARG 266 Ca 0.07 -0.00 0.04 0.00 -1.11 0.00 0.00 59.98 58.99 1s46 h ARG 266 Cb 0.25 -0.01 -0.05 0.00 -0.01 0.00 0.00 29.97 30.16 1s46 h ARG 266 CO -0.00 0.02 0.28 0.00 -3.11 0.00 0.00 179.97 177.16 1s46 h ALA 267 N 1.05 0.69 0.00 2.80 0.00 -1.08 -0.80 119.26 121.93 1s46 h ALA 267 Ca 0.03 0.02 -0.15 0.00 0.00 0.00 0.00 54.91 54.81 1s46 h ALA 267 Cb 0.03 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 1s46 h ALA 267 CO -0.05 -0.05 -0.70 0.52 0.00 0.00 0.00 179.25 178.97 1s46 h MET 268 N 0.55 0.00 0.00 0.00 2.86 -0.94 -2.52 114.93 114.88 1s46 h MET 268 Ca 0.24 0.00 -0.09 0.00 -2.06 0.00 0.00 59.70 57.79 1s46 h MET 268 Cb 0.13 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.78 1s46 h MET 268 CO -0.15 0.70 -0.43 0.00 1.06 0.00 0.00 176.91 178.09 1s46 h ALA 269 N 1.30 0.96 -0.08 6.32 0.00 -0.24 -1.30 119.26 126.22 1s46 h ALA 269 Ca -0.01 -0.39 -0.18 0.00 0.00 0.00 0.00 54.91 54.33 1s46 h ALA 269 Cb 1.33 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 19.04 1s46 h ALA 269 CO 0.09 0.53 -0.72 0.78 0.00 0.00 0.00 179.25 179.93 1s46 h GLY 270 N 2.13 0.44 2.00 0.00 0.00 -0.89 -2.10 103.07 104.66 1s46 h GLY 270 Ca -0.00 -0.62 -0.13 0.00 0.00 0.00 0.00 47.33 46.58 1s46 h GLY 270 CO 0.06 0.56 -0.60 0.83 0.00 0.00 0.00 176.54 177.38 1s46 h GLU 271 N 0.28 0.00 -0.28 4.80 4.39 -1.09 -2.67 114.58 120.00 1s46 h GLU 271 Ca -0.03 0.00 -0.18 0.00 0.34 0.00 0.00 59.36 59.49 1s46 h GLU 271 Cb 1.29 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.94 1s46 h GLU 271 CO 0.12 0.60 -0.55 1.98 -1.16 0.00 0.00 179.01 180.01 1s46 h MET 272 N 0.00 0.84 -0.07 2.33 4.05 -1.07 -2.57 114.93 118.44 1s46 h MET 272 Ca -0.01 -0.53 -0.08 0.00 -0.28 0.00 0.00 59.70 58.80 1s46 h MET 272 Cb 1.13 0.06 -0.01 0.00 -0.80 0.00 0.00 31.60 31.97 1s46 h MET 272 CO 0.08 1.16 -0.35 -0.07 0.23 0.00 0.00 176.91 177.96 1s46 h LEU 273 N 0.64 0.13 -0.15 3.39 3.38 -1.28 -0.51 115.31 120.92 1s46 h LEU 273 Ca 0.01 -0.05 -0.04 0.00 0.09 0.00 0.00 57.88 57.90 1s46 h LEU 273 Cb 1.15 -0.04 -0.00 0.00 0.09 0.00 0.00 40.66 41.86 1s46 h LEU 273 CO 0.12 0.48 -0.07 0.15 0.09 0.00 0.00 178.44 179.21 1s46 h PHE 274 N 0.12 0.35 -0.29 1.13 3.57 -1.39 -2.31 116.94 118.13 1s46 h PHE 274 Ca 0.01 -0.09 -0.07 0.00 3.53 0.00 0.00 57.97 61.35 1s46 h PHE 274 Cb 0.67 -0.08 -0.02 0.00 2.79 0.00 0.00 35.95 39.31 1s46 h PHE 274 CO 0.01 0.63 -0.14 -0.07 -2.23 0.00 0.00 178.31 176.50 1s46 h LEU 275 N -0.02 0.48 -0.53 0.59 3.38 -1.20 -3.00 115.31 114.99 1s46 h LEU 275 Ca 0.03 -0.13 -0.06 0.00 0.09 0.00 0.00 57.88 57.81 1s46 h LEU 275 Cb 0.53 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 41.14 1s46 h LEU 275 CO 0.02 0.65 0.10 0.00 0.09 0.00 0.00 178.44 179.30 1s46 h ALA 276 N 1.40 0.70 0.00 1.53 0.00 -1.01 -2.80 119.26 119.09 1s46 h ALA 276 Ca 0.08 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.76 1s46 h ALA 276 Cb 0.52 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.11 1s46 h ALA 276 CO 0.03 0.43 0.00 0.09 0.00 0.00 0.00 179.25 179.80 1s46 n ASN 277 N -4.39 0.00 0.19 0.00 4.13 -0.88 -2.24 115.26 112.08 1s46 n ASN 277 Ca 0.02 0.06 0.12 0.00 1.68 0.00 0.00 54.58 56.46 1s46 n ASN 277 Cb 0.25 -0.33 0.17 0.00 -1.54 0.00 0.00 39.78 38.33 1s46 n ASN 277 CO 0.00 0.00 0.00 -0.07 0.28 0.00 0.00 177.26 177.47 1s46 h LEU 278 N 0.00 0.00 0.00 3.41 3.38 -1.37 -3.45 115.31 117.28 1s46 h LEU 278 Ca 0.00 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1s46 h LEU 278 Cb 0.28 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.03 1s46 h LEU 278 CO 0.00 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.14 1s46 n GLY 279 N 1.13 1.28 3.72 0.83 0.00 -0.95 -4.81 105.19 106.40 1s46 n GLY 279 Ca 0.04 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.64 1s46 n GLY 279 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1s46 s VAL 280 N -2.00 2.62 -0.14 1.61 1.01 -1.21 -4.70 120.40 117.59 1s46 s VAL 280 Ca 0.00 0.46 -0.14 0.00 0.00 0.00 0.00 61.98 62.30 1s46 s VAL 280 Cb 0.00 -3.29 -0.25 0.00 0.00 0.00 0.00 36.38 32.84 1s46 s VAL 280 CO 0.00 0.04 0.40 0.44 0.00 0.00 0.00 175.10 175.99 1s46 h ASP 281 N 6.41 0.29 -3.67 3.32 3.32 -1.06 -3.42 116.42 121.60 1s46 h ASP 281 Ca -0.43 -0.80 -0.44 0.00 0.02 0.00 0.00 57.03 55.38 1s46 h ASP 281 Cb 1.21 -0.09 -0.32 0.00 0.22 0.00 0.00 39.33 40.34 1s46 h ASP 281 CO 0.88 1.66 -0.79 -0.63 -1.72 0.00 0.00 179.24 178.65 1s46 s ILE 282 N -2.47 0.78 -0.19 0.35 1.01 -1.14 -1.48 121.20 118.06 1s46 s ILE 282 Ca -0.23 -0.33 -0.06 0.00 0.00 0.00 0.00 60.65 60.03 1s46 s ILE 282 Cb 0.05 -0.72 -0.04 0.00 0.01 0.00 0.00 42.46 41.77 1s46 s ILE 282 CO 0.72 0.26 0.04 -0.76 0.00 0.00 0.00 174.94 175.20 1s46 s LEU 283 N 0.42 3.61 -0.38 2.97 1.43 -0.52 -2.63 118.68 123.58 1s46 s LEU 283 Ca -0.07 -0.02 -0.26 0.00 -1.03 0.00 0.00 54.13 52.76 1s46 s LEU 283 Cb -0.11 -1.91 0.02 0.00 0.03 0.00 0.00 46.19 44.21 1s46 s LEU 283 CO 0.01 0.14 0.92 -0.60 0.23 0.00 0.00 176.35 177.05 1s46 s ARG 284 N 0.56 3.79 -0.97 1.70 3.52 0.16 -0.92 118.95 126.78 1s46 s ARG 284 Ca 0.02 0.49 -0.16 0.00 -0.13 0.00 0.00 55.73 55.95 1s46 s ARG 284 Cb -0.13 -3.82 0.17 0.00 -1.56 0.00 0.00 34.95 29.60 1s46 s ARG 284 CO 0.02 -0.98 1.10 -1.64 -0.81 0.00 0.00 175.30 172.98 1s46 s MET 285 N 3.49 3.74 0.22 5.12 -1.94 0.12 -0.89 119.30 129.15 1s46 s MET 285 Ca 0.37 -2.18 -0.20 0.00 -1.71 0.00 0.00 55.69 51.98 1s46 s MET 285 Cb -0.12 -4.80 -0.08 0.00 2.01 0.00 0.00 34.83 31.84 1s46 s MET 285 CO 0.20 -1.62 0.72 0.34 -0.01 0.00 0.00 175.02 174.65 1s46 s ASP 286 N 2.97 7.06 -1.15 3.03 -1.08 -1.26 -2.18 116.67 124.07 1s46 s ASP 286 Ca 0.31 1.41 -0.07 0.00 -0.52 0.00 0.00 52.55 53.68 1s46 s ASP 286 Cb -0.06 -2.42 0.01 0.00 -1.46 0.00 0.00 42.92 38.99 1s46 s ASP 286 CO -0.08 0.04 0.97 0.00 0.52 0.00 0.00 175.17 176.63 1s46 n ALA 287 N 0.76 -1.09 0.25 3.66 0.00 -1.23 -4.50 120.51 118.36 1s46 n ALA 287 Ca -0.03 0.34 0.11 0.00 0.00 0.00 0.00 53.44 53.86 1s46 n ALA 287 Cb 0.51 -4.67 0.65 0.00 0.00 0.00 0.00 19.45 15.94 1s46 n ALA 287 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 177.50 177.11 1s46 h VAL 288 N -2.22 0.68 0.00 0.00 -1.51 -1.73 -2.81 116.25 108.66 1s46 h VAL 288 Ca -0.48 -0.66 -0.10 0.00 -1.23 0.00 0.00 66.70 64.23 1s46 h VAL 288 Cb 1.31 1.41 -0.01 0.00 -2.13 0.00 0.00 31.29 31.87 1s46 h VAL 288 CO 0.47 0.16 -0.48 0.00 -1.23 0.00 0.00 177.57 176.48 1s46 h ALA 289 N 1.84 1.18 -0.12 5.19 0.00 -1.91 -3.30 119.26 122.15 1s46 h ALA 289 Ca -0.00 -0.44 0.00 0.00 0.00 0.00 0.00 54.91 54.47 1s46 h ALA 289 Cb 0.40 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.11 1s46 h ALA 289 CO 0.02 0.61 0.00 1.19 0.00 0.00 0.00 179.25 181.07 1s46 n PHE 290 N -3.93 0.13 0.99 0.00 3.72 -1.06 -1.73 117.46 115.58 1s46 n PHE 290 Ca -0.01 -0.06 0.08 0.00 -0.05 0.00 0.00 57.45 57.40 1s46 n PHE 290 Cb 0.51 0.00 0.48 0.00 -0.94 0.00 0.00 39.48 39.52 1s46 n PHE 290 CO 0.00 0.00 0.00 0.44 -0.05 0.00 0.00 176.76 177.15 1s46 n ILE 291 N 0.99 0.10 -3.86 4.37 -5.35 -1.24 -4.63 119.36 109.74 1s46 n ILE 291 Ca 0.17 0.03 -0.14 0.00 -0.27 0.00 0.00 62.75 62.53 1s46 n ILE 291 Cb 0.51 -0.76 -0.15 0.00 -1.74 0.00 0.00 39.64 37.50 1s46 n ILE 291 CO 0.00 0.00 0.00 0.86 -1.76 0.00 0.00 176.55 175.65 1s46 s TRP 292 N -2.11 0.09 0.09 4.28 -0.11 -1.26 -4.48 118.94 115.43 1s46 s TRP 292 Ca 0.23 0.05 0.09 0.00 1.22 0.00 0.00 56.10 57.69 1s46 s TRP 292 Cb 0.11 -0.17 -0.04 0.00 -1.50 0.00 0.00 33.47 31.87 1s46 s TRP 292 CO 0.20 -0.06 -0.22 0.15 -4.62 0.00 0.00 176.95 172.40 1s46 s LYS 293 N 0.58 1.74 -0.27 5.86 -0.14 -1.26 -4.42 119.74 121.82 1s46 s LYS 293 Ca -0.05 -1.17 -0.16 0.00 -1.36 0.00 0.00 55.97 53.23 1s46 s LYS 293 Cb -0.07 -2.04 0.08 0.00 -1.68 0.00 0.00 37.83 34.12 1s46 s LYS 293 CO -0.01 0.49 0.67 -1.14 -0.76 0.00 0.00 175.35 174.60 1s46 s GLN 294 N -1.77 0.69 0.25 1.68 2.00 -1.26 -5.06 119.66 116.20 1s46 s GLN 294 Ca 0.15 1.20 -0.31 0.00 -2.00 0.00 0.00 55.36 54.40 1s46 s GLN 294 Cb -0.10 0.13 -0.12 0.00 0.80 0.00 0.00 33.01 33.72 1s46 s GLN 294 CO 0.06 -0.15 1.66 1.41 -0.50 0.00 0.00 175.29 177.77 1s46 s MET 295 N 1.60 4.12 0.00 1.67 -2.45 -1.26 -2.34 119.30 120.64 1s46 s MET 295 Ca -0.10 2.60 0.00 0.00 -1.25 0.00 0.00 55.69 56.94 1s46 s MET 295 Cb -0.05 -3.05 0.00 0.00 1.25 0.00 0.00 34.83 32.98 1s46 s MET 295 CO -0.19 -0.69 0.00 0.41 1.05 0.00 0.00 175.02 175.59 1s46 n GLY 296 N 3.02 2.13 3.84 2.11 0.00 -1.26 -5.04 105.19 109.99 1s46 n GLY 296 Ca 0.12 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.92 1s46 n GLY 296 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1s46 s THR 297 N -2.34 2.56 -1.32 2.61 -4.23 -0.99 -4.97 115.64 106.96 1s46 s THR 297 Ca 0.00 -1.45 0.19 0.00 -1.18 0.00 0.00 61.69 59.26 1s46 s THR 297 Cb 0.00 -3.00 0.29 0.00 1.34 0.00 0.00 72.50 71.13 1s46 s THR 297 CO 0.00 -0.00 1.61 -1.54 -0.54 0.00 0.00 174.62 174.15 1s46 n SER 298 N -1.46 0.00 -2.51 3.99 3.41 -1.26 -4.67 113.62 111.12 1s46 n SER 298 Ca 0.02 0.13 -0.21 0.00 -0.26 0.00 0.00 58.87 58.56 1s46 n SER 298 Cb 0.63 -0.34 -0.00 0.00 -0.26 0.00 0.00 64.21 64.23 1s46 n SER 298 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1s46 s GLU 300 N -5.16 0.88 -1.19 0.00 2.02 -1.26 -4.42 118.70 109.57 1s46 s GLU 300 Ca 0.05 -0.41 -0.03 0.00 0.02 0.00 0.00 54.97 54.60 1s46 s GLU 300 Cb -0.02 -0.85 0.02 0.00 0.10 0.00 0.00 34.13 33.38 1s46 s GLU 300 CO 0.06 0.23 0.19 0.09 0.02 0.00 0.00 175.26 175.86 1s46 n ASN 301 N 2.75 -4.14 -4.78 -0.19 3.02 -0.70 -4.97 115.26 106.25 1s46 n ASN 301 Ca -0.14 -0.02 -0.36 0.00 -0.03 0.00 0.00 54.58 54.03 1s46 n ASN 301 Cb 0.56 -3.47 -0.02 0.00 -0.61 0.00 0.00 39.78 36.25 1s46 n ASN 301 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1s46 s LEU 302 N -5.97 3.95 0.30 3.41 1.43 -1.26 -4.94 118.68 115.59 1s46 s LEU 302 Ca 0.14 2.14 0.05 0.00 -1.03 0.00 0.00 54.13 55.43 1s46 s LEU 302 Cb -0.07 -4.37 0.81 0.00 0.03 0.00 0.00 46.19 42.59 1s46 s LEU 302 CO 0.17 -0.86 1.65 -0.65 0.23 0.00 0.00 176.35 176.89 1s46 h PRO 303 N 1.86 0.22 0.00 1.29 0.11 -1.99 -0.77 132.00 132.72 1s46 h PRO 303 Ca -0.49 -0.01 -0.01 0.00 0.11 0.00 0.00 66.00 65.59 1s46 h PRO 303 Cb 1.24 -0.05 -0.00 0.00 0.11 0.00 0.00 31.00 32.30 1s46 h PRO 303 CO 0.60 0.14 -0.06 1.96 -0.21 0.00 0.00 178.00 180.43 1s46 h GLN 304 N 0.22 0.00 -0.29 1.05 7.50 -1.93 -2.25 115.11 119.40 1s46 h GLN 304 Ca 0.60 0.00 -0.08 0.00 0.50 0.00 0.00 58.65 59.67 1s46 h GLN 304 Cb 1.26 0.00 -0.01 0.00 0.05 0.00 0.00 27.48 28.78 1s46 h GLN 304 CO -0.66 0.06 -0.14 0.00 -1.50 0.00 0.00 178.83 176.59 1s46 h ALA 305 N 1.94 0.41 -0.46 3.87 0.00 -1.48 -1.69 119.26 121.85 1s46 h ALA 305 Ca -0.00 -0.33 -0.11 0.00 0.00 0.00 0.00 54.91 54.47 1s46 h ALA 305 Cb 0.48 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.15 1s46 h ALA 305 CO 0.01 0.30 -0.17 0.45 0.00 0.00 0.00 179.25 179.84 1s46 h HIS 306 N 0.36 1.01 -0.07 0.00 3.86 -1.46 -2.88 115.15 115.98 1s46 h HIS 306 Ca 0.07 -0.22 -0.09 0.00 -1.16 0.00 0.00 60.37 58.97 1s46 h HIS 306 Cb 0.66 -0.25 -0.01 0.00 1.06 0.00 0.00 27.41 28.88 1s46 h HIS 306 CO 0.06 0.99 -0.37 0.00 0.86 0.00 0.00 177.93 179.47 1s46 h ALA 307 N 1.02 1.26 -0.06 2.45 0.00 -1.31 -2.10 119.26 120.52 1s46 h ALA 307 Ca 0.12 -0.36 -0.18 0.00 0.00 0.00 0.00 54.91 54.48 1s46 h ALA 307 Cb 0.70 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.41 1s46 h ALA 307 CO 0.05 0.52 -0.73 -0.07 0.00 0.00 0.00 179.25 179.02 1s46 h LEU 308 N 0.12 0.40 -0.43 0.00 3.38 -1.15 -1.92 115.31 115.71 1s46 h LEU 308 Ca 0.01 -0.27 -0.16 0.00 0.09 0.00 0.00 57.88 57.55 1s46 h LEU 308 Cb 0.71 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.33 1s46 h LEU 308 CO 0.05 1.00 -0.41 0.40 0.09 0.00 0.00 178.44 179.58 1s46 h ILE 309 N 0.23 1.28 0.00 1.22 1.08 -1.30 -1.36 117.51 118.65 1s46 h ILE 309 Ca -0.03 -1.58 -0.06 0.00 -0.39 0.00 0.00 64.86 62.80 1s46 h ILE 309 Cb 1.31 1.43 -0.01 0.00 -3.07 0.00 0.00 36.82 36.48 1s46 h ILE 309 CO 0.12 0.52 -0.29 0.03 -0.69 0.00 0.00 178.15 177.85 1s46 h ARG 310 N 0.71 0.00 -0.00 2.37 3.08 -1.31 -0.60 114.38 118.63 1s46 h ARG 310 Ca 0.05 0.00 -0.24 0.00 0.07 0.00 0.00 59.98 59.86 1s46 h ARG 310 Cb 0.99 0.00 0.02 0.00 0.08 0.00 0.00 29.97 31.06 1s46 h ARG 310 CO 0.10 0.29 -0.94 0.00 -1.07 0.00 0.00 179.97 178.35 1s46 h ALA 311 N 1.71 0.12 -0.54 0.04 0.00 -1.01 -2.70 119.26 116.89 1s46 h ALA 311 Ca -0.00 -0.67 -0.04 0.00 0.00 0.00 0.00 54.91 54.20 1s46 h ALA 311 Cb 0.63 0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.44 1s46 h ALA 311 CO 0.04 0.60 0.16 0.74 0.00 0.00 0.00 179.25 180.79 1s46 h PHE 312 N 0.28 0.82 -0.60 0.00 0.04 -0.85 -2.39 116.94 114.23 1s46 h PHE 312 Ca -0.12 -0.06 -0.02 0.00 2.80 0.00 0.00 57.97 60.57 1s46 h PHE 312 Cb 1.60 -0.24 -0.03 0.00 2.20 0.00 0.00 35.95 39.48 1s46 h PHE 312 CO 0.11 0.67 0.30 -0.97 -0.60 0.00 0.00 178.31 177.82 1s46 h ASN 313 N 0.78 0.78 -0.20 2.17 -0.73 -1.09 -2.68 115.58 114.61 1s46 h ASN 313 Ca 0.18 -0.12 -0.07 0.00 1.87 0.00 0.00 56.30 58.16 1s46 h ASN 313 Cb 0.24 -0.20 -0.02 0.00 0.27 0.00 0.00 38.32 38.62 1s46 h ASN 313 CO -0.01 0.68 -0.08 0.00 -0.37 0.00 0.00 177.43 177.65 1s46 h ALA 314 N 1.13 1.24 -0.36 1.57 0.00 -1.10 -0.50 119.26 121.24 1s46 h ALA 314 Ca 0.21 -0.26 -0.06 0.00 0.00 0.00 0.00 54.91 54.80 1s46 h ALA 314 Cb 0.11 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 1s46 h ALA 314 CO -0.03 0.50 -0.02 0.28 0.00 0.00 0.00 179.25 179.98 1s46 h VAL 315 N 0.52 1.21 0.02 0.00 2.07 -1.18 -2.10 116.25 116.78 1s46 h VAL 315 Ca 0.10 -0.87 -0.24 0.00 0.82 0.00 0.00 66.70 66.51 1s46 h VAL 315 Cb 0.46 0.97 0.01 0.00 -1.52 0.00 0.00 31.29 31.20 1s46 h VAL 315 CO 0.02 0.30 -1.00 0.24 0.02 0.00 0.00 177.57 177.15 1s46 h MET 316 N 0.54 0.45 0.00 1.57 2.07 -1.08 -0.96 114.93 117.53 1s46 h MET 316 Ca 0.11 -0.51 -0.00 0.00 -2.07 0.00 0.00 59.70 57.23 1s46 h MET 316 Cb 0.38 0.15 -0.00 0.00 -1.87 0.00 0.00 31.60 30.26 1s46 h MET 316 CO 0.02 1.16 -0.01 0.00 1.07 0.00 0.00 176.91 179.15 1s46 h ARG 317 N 0.24 0.00 0.00 1.72 2.47 -0.60 0.64 114.38 118.85 1s46 h ARG 317 Ca -0.10 0.00 -0.30 0.00 -1.26 0.00 0.00 59.98 58.32 1s46 h ARG 317 Cb 1.65 0.00 -0.04 0.00 -1.65 0.00 0.00 29.97 29.92 1s46 h ARG 317 CO 0.18 0.01 -1.71 -0.89 0.56 0.00 0.00 179.97 178.11 1s46 n ILE 318 N -3.12 1.52 0.87 2.04 5.41 -0.84 -4.52 119.36 120.72 1s46 n ILE 318 Ca -0.01 -0.15 0.09 0.00 1.00 0.00 0.00 62.75 63.69 1s46 n ILE 318 Cb 0.24 -2.02 -0.03 0.00 -0.71 0.00 0.00 39.64 37.12 1s46 n ILE 318 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1s46 n ALA 319 N -3.82 3.62 -2.70 -1.39 0.00 -0.37 -4.80 120.51 111.05 1s46 n ALA 319 Ca -0.39 -0.58 -0.06 0.00 0.00 0.00 0.00 53.44 52.41 1s46 n ALA 319 Cb 0.73 -0.68 0.08 0.00 0.00 0.00 0.00 19.45 19.57 1s46 n ALA 319 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1s46 n ALA 320 N -0.37 -2.35 0.30 0.00 0.00 0.08 -4.41 120.51 113.76 1s46 n ALA 320 Ca 0.07 -0.86 0.11 0.00 0.00 0.00 0.00 53.44 52.76 1s46 n ALA 320 Cb 0.38 -2.27 0.55 0.00 0.00 0.00 0.00 19.45 18.12 1s46 n ALA 320 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 1s46 h PRO 321 N 3.22 0.00 0.00 0.00 0.11 -1.40 -1.73 132.00 132.20 1s46 h PRO 321 Ca -0.20 0.00 -0.07 0.00 0.11 0.00 0.00 66.00 65.84 1s46 h PRO 321 Cb 1.14 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.24 1s46 h PRO 321 CO 0.06 0.00 -0.32 0.00 -0.21 0.00 0.00 178.00 177.53 1s46 h ALA 322 N 0.91 0.91 -1.67 -0.75 0.00 -1.80 -3.43 119.26 113.42 1s46 h ALA 322 Ca 0.03 -0.29 -0.56 0.00 0.00 0.00 0.00 54.91 54.09 1s46 h ALA 322 Cb 1.17 -0.05 -0.06 0.00 0.00 0.00 0.00 17.79 18.84 1s46 h ALA 322 CO -0.00 0.40 1.01 0.08 0.00 0.00 0.00 179.25 180.74 1s46 s VAL 323 N -3.41 4.00 0.32 0.00 1.01 -0.65 -4.76 120.40 116.91 1s46 s VAL 323 Ca 0.02 0.96 0.07 0.00 0.00 0.00 0.00 61.98 63.02 1s46 s VAL 323 Cb 0.09 -4.51 -0.01 0.00 0.00 0.00 0.00 36.38 31.95 1s46 s VAL 323 CO 0.68 -1.07 0.43 -0.36 0.00 0.00 0.00 175.10 174.78 1s46 s PHE 324 N 5.14 3.12 0.06 5.22 0.40 -0.55 -4.89 117.98 126.49 1s46 s PHE 324 Ca 0.51 -0.21 0.07 0.00 -0.60 0.00 0.00 56.93 56.70 1s46 s PHE 324 Cb -0.09 -1.91 -0.04 0.00 0.51 0.00 0.00 43.02 41.49 1s46 s PHE 324 CO 0.29 0.07 -0.15 -0.06 0.70 0.00 0.00 175.22 176.07 1s46 s PHE 325 N -2.17 2.63 -0.24 0.36 0.08 -1.26 -1.44 117.98 115.93 1s46 s PHE 325 Ca 0.43 -0.21 0.02 0.00 0.12 0.00 0.00 56.93 57.29 1s46 s PHE 325 Cb -0.09 -1.45 0.06 0.00 -0.57 0.00 0.00 43.02 40.97 1s46 s PHE 325 CO 0.30 0.33 -0.09 0.21 -0.10 0.00 0.00 175.22 175.87 1s46 s LYS 326 N -1.73 2.05 0.11 0.44 2.20 -0.10 -1.91 119.74 120.81 1s46 s LYS 326 Ca 0.17 -1.17 -0.30 0.00 -0.36 0.00 0.00 55.97 54.31 1s46 s LYS 326 Cb -0.11 -2.74 -0.06 0.00 -1.51 0.00 0.00 37.83 33.41 1s46 s LYS 326 CO 0.08 -0.55 0.95 0.45 -0.36 0.00 0.00 175.35 175.92 1s46 s SER 327 N 1.23 7.49 -0.40 1.43 0.15 -0.57 0.15 113.70 123.17 1s46 s SER 327 Ca -0.07 1.78 0.03 0.00 0.70 0.00 0.00 55.95 58.40 1s46 s SER 327 Cb -0.19 -2.58 0.11 0.00 -1.71 0.00 0.00 66.02 61.65 1s46 s SER 327 CO -0.06 -0.06 0.14 -1.58 1.20 0.00 0.00 173.24 172.88 1s46 s GLN 328 N -0.02 1.56 -0.33 5.44 2.00 -0.92 -0.82 119.66 126.56 1s46 s GLN 328 Ca 0.46 -2.06 0.01 0.00 -2.00 0.00 0.00 55.36 51.77 1s46 s GLN 328 Cb -0.23 -3.07 0.10 0.00 0.80 0.00 0.00 33.01 30.61 1s46 s GLN 328 CO 0.30 -1.02 0.10 0.00 -0.50 0.00 0.00 175.29 174.17 1s46 s ALA 329 N 0.54 1.97 -1.21 1.58 0.00 -1.26 -3.47 121.76 119.91 1s46 s ALA 329 Ca 0.13 -2.00 -0.09 0.00 0.00 0.00 0.00 51.96 50.01 1s46 s ALA 329 Cb -0.21 -1.74 0.21 0.00 0.00 0.00 0.00 23.12 21.37 1s46 s ALA 329 CO -0.06 -1.71 1.65 -0.89 0.00 0.00 0.00 175.76 174.75 1s46 n ILE 330 N 4.56 4.61 -4.03 0.00 2.08 -1.26 -4.79 119.36 120.54 1s46 n ILE 330 Ca 0.01 -4.93 -0.01 0.00 0.56 0.00 0.00 62.75 58.38 1s46 n ILE 330 Cb 0.41 -2.32 -0.00 0.00 -0.75 0.00 0.00 39.64 36.98 1s46 n ILE 330 CO 0.00 0.00 0.00 1.33 0.56 0.00 0.00 176.55 178.44 1s46 n VAL 331 N 2.95 0.00 -1.75 1.39 0.24 -1.26 -5.07 118.33 114.84 1s46 n VAL 331 Ca 0.35 -0.12 -0.42 0.00 -2.04 0.00 0.00 64.34 62.10 1s46 n VAL 331 Cb 0.37 0.05 -0.01 0.00 -1.47 0.00 0.00 33.84 32.77 1s46 n VAL 331 CO 0.00 0.00 0.00 1.57 -2.14 0.00 0.00 176.83 176.26 1s46 n HIS 332 N -0.05 2.86 -0.38 6.34 -0.00 -1.26 -4.72 115.22 118.01 1s46 n HIS 332 Ca -0.00 0.29 0.30 0.00 0.46 0.00 0.00 57.72 58.76 1s46 n HIS 332 Cb 0.03 -2.58 0.58 0.00 -0.12 0.00 0.00 29.99 27.89 1s46 n HIS 332 CO 0.00 0.00 0.00 -1.35 0.46 0.00 0.00 176.34 175.45 1s46 h PRO 333 N 4.51 0.23 -0.02 1.57 0.11 -1.90 0.12 132.00 136.61 1s46 h PRO 333 Ca -0.47 -0.01 -0.04 0.00 0.11 0.00 0.00 66.00 65.58 1s46 h PRO 333 Cb 1.23 -0.05 -0.01 0.00 0.11 0.00 0.00 31.00 32.28 1s46 h PRO 333 CO 0.77 0.15 -0.18 -0.44 -0.21 0.00 0.00 178.00 178.09 1s46 h ASP 334 N 0.23 0.03 0.57 -2.05 3.32 -1.97 -2.87 116.42 113.68 1s46 h ASP 334 Ca 0.71 -0.01 -0.25 0.00 0.02 0.00 0.00 57.03 57.51 1s46 h ASP 334 Cb 2.04 -0.01 -0.04 0.00 0.22 0.00 0.00 39.33 41.54 1s46 h ASP 334 CO -0.38 0.22 -1.60 0.00 -1.72 0.00 0.00 179.24 175.76 1s46 n GLN 335 N -4.31 0.63 -0.06 3.56 1.13 0.36 -4.14 117.38 114.55 1s46 n GLN 335 Ca -0.02 0.28 -0.10 0.00 -1.94 0.00 0.00 57.00 55.21 1s46 n GLN 335 Cb 0.25 -1.80 -0.03 0.00 0.11 0.00 0.00 30.24 28.77 1s46 n GLN 335 CO 0.00 0.00 0.00 0.28 -1.44 0.00 0.00 177.06 175.90 1s46 h VAL 336 N 0.00 1.12 0.00 5.09 2.07 -1.13 -3.03 116.25 120.36 1s46 h VAL 336 Ca -0.24 -0.32 -0.03 0.00 0.82 0.00 0.00 66.70 66.93 1s46 h VAL 336 Cb 1.86 0.92 -0.00 0.00 -1.52 0.00 0.00 31.29 32.55 1s46 h VAL 336 CO 0.07 0.11 -0.12 1.62 0.02 0.00 0.00 177.57 179.27 1s46 h VAL 337 N 0.25 0.52 0.00 2.57 3.04 -1.72 -2.98 116.25 117.93 1s46 h VAL 337 Ca 0.08 -0.59 0.00 0.00 -1.01 0.00 0.00 66.70 65.17 1s46 h VAL 337 Cb 0.08 1.40 0.00 0.00 -2.01 0.00 0.00 31.29 30.75 1s46 h VAL 337 CO -0.01 0.12 0.00 1.56 -1.01 0.00 0.00 177.57 178.23 1s46 h GLN 338 N 0.00 0.00 0.00 4.17 4.20 -1.69 -2.54 115.11 119.26 1s46 h GLN 338 Ca -0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1s46 h GLN 338 Cb 0.39 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.17 1s46 h GLN 338 CO 0.02 0.00 -0.47 1.88 -0.67 0.00 0.00 178.83 179.59 1s46 h TYR 339 N 0.00 0.00 -3.60 2.96 0.05 -1.65 -3.45 116.97 111.28 1s46 h TYR 339 Ca 0.00 0.00 -0.63 0.00 0.05 0.00 0.00 58.73 58.15 1s46 h TYR 339 Cb 0.45 0.00 -0.14 0.00 1.01 0.00 0.00 36.73 38.05 1s46 h TYR 339 CO 0.00 0.00 -0.01 0.42 -1.05 0.00 0.00 178.16 177.52 1s46 s ILE 340 N -3.18 5.01 -0.16 -2.88 1.01 -0.96 -1.99 121.20 118.06 1s46 s ILE 340 Ca 0.06 0.54 -0.30 0.00 0.00 0.00 0.00 60.65 60.95 1s46 s ILE 340 Cb 0.12 -3.94 0.13 0.00 0.01 0.00 0.00 42.46 38.78 1s46 s ILE 340 CO 0.70 -0.14 1.06 -0.83 0.00 0.00 0.00 174.94 175.73 1s46 s GLY 341 N 1.70 -0.25 0.40 6.18 0.00 -0.58 -4.90 107.32 109.88 1s46 s GLY 341 Ca 0.20 1.91 0.07 0.00 0.00 0.00 0.00 44.72 46.90 1s46 s GLY 341 CO 0.12 0.85 2.04 -1.61 0.00 0.00 0.00 173.10 174.50 1s46 h GLN 342 N 2.31 0.57 -0.26 2.90 4.15 -1.82 -1.60 115.11 121.37 1s46 h GLN 342 Ca -0.16 -0.03 0.00 0.00 0.77 0.00 0.00 58.65 59.23 1s46 h GLN 342 Cb 1.18 -0.13 0.00 0.00 0.21 0.00 0.00 27.48 28.74 1s46 h GLN 342 CO 0.29 0.37 0.00 -0.25 -1.93 0.00 0.00 178.83 177.31 1s46 n ASP 343 N -4.47 2.27 0.00 -0.69 8.00 -1.26 -4.68 116.55 115.72 1s46 n ASP 343 Ca 0.05 -1.83 0.00 0.00 0.71 0.00 0.00 54.79 53.72 1s46 n ASP 343 Cb 0.10 -0.16 0.00 0.00 -0.02 0.00 0.00 41.12 41.04 1s46 n ASP 343 CO 0.00 0.00 0.00 1.21 -0.39 0.00 0.00 177.20 178.02 1s46 n GLU 344 N 0.72 0.00 -3.82 -1.24 2.13 -0.63 -4.32 120.64 113.49 1s46 n GLU 344 Ca 0.17 0.00 -0.36 0.00 0.66 0.00 0.00 57.16 57.62 1s46 n GLU 344 Cb 0.42 0.00 -0.13 0.00 0.27 0.00 0.00 31.44 32.00 1s46 n GLU 344 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1s46 h GLN 346 N 8.16 0.55 -5.45 0.00 7.50 -1.47 -1.54 115.11 122.87 1s46 h GLN 346 Ca -0.32 -0.08 -0.43 0.00 0.50 0.00 0.00 58.65 58.32 1s46 h GLN 346 Cb 1.12 -0.10 -0.14 0.00 0.05 0.00 0.00 27.48 28.41 1s46 h GLN 346 CO 0.59 0.49 -0.71 0.96 -1.50 0.00 0.00 178.83 178.66 1s46 s ILE 347 N -5.18 1.59 -0.07 2.54 -4.36 -0.80 -2.23 121.20 112.68 1s46 s ILE 347 Ca -0.08 -2.16 -0.31 0.00 -0.26 0.00 0.00 60.65 57.84 1s46 s ILE 347 Cb 0.16 -2.11 0.07 0.00 1.25 0.00 0.00 42.46 41.83 1s46 s ILE 347 CO 0.75 -0.54 0.69 -0.83 0.24 0.00 0.00 174.94 175.25 1s46 s GLY 348 N -3.32 -0.57 0.65 6.27 0.00 -1.14 -1.52 107.32 107.70 1s46 s GLY 348 Ca 0.23 1.39 -0.18 0.00 0.00 0.00 0.00 44.72 46.17 1s46 s GLY 348 CO 0.07 1.02 1.26 -0.19 0.00 0.00 0.00 173.10 175.26 1s46 s TYR 349 N -1.08 2.13 -0.81 1.90 2.02 0.00 -0.19 117.35 121.33 1s46 s TYR 349 Ca -0.10 1.51 0.02 0.00 -0.37 0.00 0.00 57.07 58.13 1s46 s TYR 349 Cb -0.00 -3.62 0.23 0.00 -0.40 0.00 0.00 41.96 38.18 1s46 s TYR 349 CO 0.09 -2.73 0.83 -1.71 -1.57 0.00 0.00 175.55 170.46 1s46 n ASN 350 N -1.98 4.19 0.25 2.29 2.85 -0.61 -4.73 115.26 117.52 1s46 n ASN 350 Ca 0.15 -3.29 0.11 0.00 -0.11 0.00 0.00 54.58 51.44 1s46 n ASN 350 Cb 0.49 -0.91 0.67 0.00 1.24 0.00 0.00 39.78 41.27 1s46 n ASN 350 CO 0.00 0.00 0.00 1.55 -2.11 0.00 0.00 177.26 176.70 1s46 h PRO 351 N 5.20 0.00 0.26 1.20 0.13 -1.88 -2.75 132.00 134.16 1s46 h PRO 351 Ca 0.18 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.30 1s46 h PRO 351 Cb 0.72 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.85 1s46 h PRO 351 CO 0.90 0.14 -0.12 1.25 -0.23 0.00 0.00 178.00 179.94 1s46 h LEU 352 N 0.00 -0.29 -0.54 1.56 5.85 -1.91 0.64 115.31 120.63 1s46 h LEU 352 Ca -0.00 -0.12 -0.04 0.00 0.84 0.00 0.00 57.88 58.56 1s46 h LEU 352 Cb 0.37 0.08 -0.02 0.00 0.37 0.00 0.00 40.66 41.46 1s46 h LEU 352 CO 0.02 -0.05 0.18 -0.61 -0.34 0.00 0.00 178.44 177.64 1s46 h GLN 353 N -0.54 0.83 0.23 1.25 4.15 -1.94 -1.39 115.11 117.70 1s46 h GLN 353 Ca -0.04 -0.17 0.00 0.00 0.77 0.00 0.00 58.65 59.21 1s46 h GLN 353 Cb 0.40 -0.12 -0.01 0.00 0.21 0.00 0.00 27.48 27.95 1s46 h GLN 353 CO 0.06 0.75 -0.20 1.98 -1.93 0.00 0.00 178.83 179.49 1s46 h MET 354 N 0.74 -0.44 -0.51 1.69 4.05 -1.41 -1.01 114.93 118.04 1s46 h MET 354 Ca 0.17 0.03 -0.07 0.00 -0.28 0.00 0.00 59.70 59.56 1s46 h MET 354 Cb 0.26 0.10 -0.02 0.00 -0.80 0.00 0.00 31.60 31.14 1s46 h MET 354 CO -0.01 -0.29 0.05 0.00 0.23 0.00 0.00 176.91 176.89 1s46 h ALA 355 N 0.26 1.12 0.00 0.39 0.00 -0.82 -2.64 119.26 117.58 1s46 h ALA 355 Ca -0.01 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.66 1s46 h ALA 355 Cb 0.41 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.00 1s46 h ALA 355 CO -0.03 0.57 0.00 -0.07 0.00 0.00 0.00 179.25 179.72 1s46 h LEU 356 N 0.78 0.00 -0.19 0.00 3.38 -1.03 -1.83 115.31 116.43 1s46 h LEU 356 Ca 0.16 0.00 -0.21 0.00 0.09 0.00 0.00 57.88 57.92 1s46 h LEU 356 Cb 0.40 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.16 1s46 h LEU 356 CO 0.01 0.00 -0.70 -0.07 0.09 0.00 0.00 178.44 177.78 1s46 h LEU 357 N 0.00 0.94 -0.22 1.67 3.38 -0.80 -2.05 115.31 118.23 1s46 h LEU 357 Ca 0.00 -0.60 -0.22 0.00 0.09 0.00 0.00 57.88 57.15 1s46 h LEU 357 Cb 0.61 -0.28 0.01 0.00 0.09 0.00 0.00 40.66 41.09 1s46 h LEU 357 CO 0.00 1.38 -0.81 -0.50 0.09 0.00 0.00 178.44 178.60 1s46 h TRP 358 N 0.55 0.86 -0.59 1.13 4.06 -1.47 -2.76 115.95 117.73 1s46 h TRP 358 Ca -0.03 -0.40 -0.00 0.00 2.06 0.00 0.00 58.89 60.51 1s46 h TRP 358 Cb 1.32 -0.12 -0.03 0.00 -1.00 0.00 0.00 29.16 29.33 1s46 h TRP 358 CO 0.09 1.21 0.35 -0.97 -3.56 0.00 0.00 178.44 175.56 1s46 h ASN 359 N 0.41 0.70 0.47 -3.49 -1.24 -1.32 -2.27 115.58 108.84 1s46 h ASN 359 Ca -0.06 -0.06 -0.07 0.00 0.71 0.00 0.00 56.30 56.82 1s46 h ASN 359 Cb 1.43 -0.18 -0.01 0.00 0.73 0.00 0.00 38.32 40.29 1s46 h ASN 359 CO 0.16 0.56 -0.35 0.74 -1.29 0.00 0.00 177.43 177.24 1s46 h THR 360 N 0.79 1.11 0.00 -3.57 2.02 -1.37 -0.20 112.91 111.69 1s46 h THR 360 Ca 0.21 -1.26 -0.13 0.00 0.77 0.00 0.00 66.41 66.00 1s46 h THR 360 Cb -0.02 1.71 -0.02 0.00 -1.74 0.00 0.00 68.15 68.08 1s46 h THR 360 CO -0.04 0.34 -0.61 0.25 0.37 0.00 0.00 175.52 175.83 1s46 h LEU 361 N 0.00 0.00 0.01 2.58 5.85 -1.12 -0.72 115.31 121.91 1s46 h LEU 361 Ca -0.00 0.00 -0.05 0.00 0.84 0.00 0.00 57.88 58.67 1s46 h LEU 361 Cb 0.68 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.71 1s46 h LEU 361 CO 0.05 0.61 -0.25 0.00 -0.34 0.00 0.00 178.44 178.51 1s46 h ALA 362 N 1.39 0.04 0.00 1.25 0.00 -0.88 -3.37 119.26 117.68 1s46 h ALA 362 Ca -0.01 -0.62 -0.04 0.00 0.00 0.00 0.00 54.91 54.24 1s46 h ALA 362 Cb 1.17 0.12 -0.01 0.00 0.00 0.00 0.00 17.79 19.07 1s46 h ALA 362 CO 0.08 0.14 -0.35 1.79 0.00 0.00 0.00 179.25 180.91 1s46 h THR 363 N -0.95 0.28 0.00 0.00 1.35 -1.14 -3.47 112.91 108.98 1s46 h THR 363 Ca -0.06 -1.42 0.00 0.00 -0.55 0.00 0.00 66.41 64.38 1s46 h THR 363 Cb 1.09 2.07 0.00 0.00 -1.73 0.00 0.00 68.15 69.58 1s46 h THR 363 CO -0.02 0.16 0.00 0.54 -0.25 0.00 0.00 175.52 175.95 1s46 n ARG 364 N -3.08 -0.35 -4.36 4.72 3.00 -0.28 -4.98 116.66 111.33 1s46 n ARG 364 Ca 0.02 0.09 -0.34 0.00 -0.01 0.00 0.00 57.85 57.61 1s46 n ARG 364 Cb 0.61 -3.61 -0.13 0.00 0.00 0.00 0.00 32.46 29.33 1s46 n ARG 364 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.63 176.42 1s46 s GLU 365 N -0.64 3.50 0.00 5.56 2.02 -1.25 -4.15 118.70 123.74 1s46 s GLU 365 Ca 0.00 -0.60 0.25 0.00 0.02 0.00 0.00 54.97 54.64 1s46 s GLU 365 Cb 0.00 -2.86 1.29 0.00 0.10 0.00 0.00 34.13 32.65 1s46 s GLU 365 CO 0.00 0.10 1.86 1.33 0.02 0.00 0.00 175.26 178.56 1s46 n VAL 366 N 3.92 0.04 -0.26 2.63 0.24 0.62 -4.54 118.33 120.98 1s46 n VAL 366 Ca -0.18 -0.12 -0.01 0.00 -2.04 0.00 0.00 64.34 61.99 1s46 n VAL 366 Cb 0.52 -0.05 0.05 0.00 -1.47 0.00 0.00 33.84 32.89 1s46 n VAL 366 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 1s46 h ASN 367 N 0.96 -1.02 -0.32 -1.34 7.08 -1.96 0.17 115.58 119.15 1s46 h ASN 367 Ca 0.00 0.25 -0.17 0.00 -3.08 0.00 0.00 56.30 53.29 1s46 h ASN 367 Cb 0.21 0.57 -0.00 0.00 -2.08 0.00 0.00 38.32 37.01 1s46 h ASN 367 CO 0.00 -0.28 -0.47 -0.07 -2.08 0.00 0.00 177.43 174.53 1s46 h LEU 368 N -0.06 0.97 -0.48 6.14 3.38 -1.97 -2.48 115.31 120.81 1s46 h LEU 368 Ca 0.32 -0.49 -0.08 0.00 0.09 0.00 0.00 57.88 57.72 1s46 h LEU 368 Cb 0.57 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 41.03 1s46 h LEU 368 CO -0.79 1.28 -0.01 0.25 0.09 0.00 0.00 178.44 179.26 1s46 h LEU 369 N 0.71 0.85 -0.38 1.67 5.85 -1.68 -2.12 115.31 120.19 1s46 h LEU 369 Ca 0.04 -0.31 0.01 0.00 0.84 0.00 0.00 57.88 58.45 1s46 h LEU 369 Cb 1.07 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 41.85 1s46 h LEU 369 CO 0.11 0.95 0.24 -0.74 -0.34 0.00 0.00 178.44 178.67 1s46 h HIS 370 N 0.71 0.46 -0.66 1.25 2.76 -0.68 -0.86 115.15 118.14 1s46 h HIS 370 Ca 0.13 0.01 0.02 0.00 -2.20 0.00 0.00 60.37 58.34 1s46 h HIS 370 Cb 0.53 -0.15 -0.04 0.00 1.55 0.00 0.00 27.41 29.30 1s46 h HIS 370 CO 0.04 0.28 0.42 0.37 -1.30 0.00 0.00 177.93 177.74 1s46 h GLN 371 N 0.50 0.80 -0.43 5.26 4.15 -1.31 -1.04 115.11 123.04 1s46 h GLN 371 Ca 0.14 -0.05 -0.08 0.00 0.77 0.00 0.00 58.65 59.43 1s46 h GLN 371 Cb -0.04 -0.18 -0.01 0.00 0.21 0.00 0.00 27.48 27.46 1s46 h GLN 371 CO -0.04 0.53 -0.05 0.00 -1.93 0.00 0.00 178.83 177.34 1s46 h ALA 372 N 1.27 0.59 0.00 3.38 0.00 -0.99 -1.45 119.26 122.06 1s46 h ALA 372 Ca 0.26 -0.30 -0.05 0.00 0.00 0.00 0.00 54.91 54.82 1s46 h ALA 372 Cb -0.01 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 1s46 h ALA 372 CO -0.09 0.43 -0.24 -0.07 0.00 0.00 0.00 179.25 179.27 1s46 h LEU 373 N 0.63 0.00 0.12 0.00 3.38 -0.88 -0.41 115.31 118.16 1s46 h LEU 373 Ca 0.12 0.00 -0.25 0.00 0.09 0.00 0.00 57.88 57.84 1s46 h LEU 373 Cb 0.56 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.32 1s46 h LEU 373 CO 0.03 0.24 -1.23 0.74 0.09 0.00 0.00 178.44 178.31 1s46 h THR 374 N 0.00 1.16 0.00 0.22 2.02 -1.05 -3.38 112.91 111.88 1s46 h THR 374 Ca -0.00 -2.43 -0.07 0.00 0.77 0.00 0.00 66.41 64.68 1s46 h THR 374 Cb 0.82 2.84 -0.01 0.00 -1.74 0.00 0.00 68.15 70.05 1s46 h THR 374 CO 0.03 0.69 -1.83 -1.22 0.37 0.00 0.00 175.52 173.57 1s46 n TYR 375 N -4.00 0.00 -0.64 3.16 4.01 -0.56 -4.73 117.16 114.39 1s46 n TYR 375 Ca -0.22 0.00 0.05 0.00 -0.16 0.00 0.00 57.90 57.57 1s46 n TYR 375 Cb 0.87 -0.47 0.07 0.00 -0.31 0.00 0.00 39.34 39.49 1s46 n TYR 375 CO 0.00 0.00 0.00 0.54 -0.46 0.00 0.00 176.86 176.94 1s46 n ARG 376 N -2.20 1.91 -0.09 -0.72 1.74 -0.18 -4.82 116.66 112.31 1s46 n ARG 376 Ca -0.09 -1.93 -0.22 0.00 -0.77 0.00 0.00 57.85 54.84 1s46 n ARG 376 Cb 0.58 -1.19 -0.12 0.00 -1.02 0.00 0.00 32.46 30.71 1s46 n ARG 376 CO 0.00 0.00 0.00 1.58 -1.52 0.00 0.00 177.63 177.69 1s46 n HIS 377 N -0.89 1.00 -1.80 -1.55 -0.00 -1.09 -4.93 115.22 105.96 1s46 n HIS 377 Ca 0.07 0.39 -0.42 0.00 0.46 0.00 0.00 57.72 58.23 1s46 n HIS 377 Cb 0.47 -1.11 -0.03 0.00 -0.12 0.00 0.00 29.99 29.20 1s46 n HIS 377 CO 0.00 0.00 0.00 -0.80 0.46 0.00 0.00 176.34 176.00 1s46 s ASN 378 N -6.92 6.45 0.34 0.26 0.01 -1.26 -4.98 114.94 108.85 1s46 s ASN 378 Ca -0.28 2.78 0.09 0.00 -0.71 0.00 0.00 52.86 54.74 1s46 s ASN 378 Cb 0.06 -2.60 -0.06 0.00 0.41 0.00 0.00 41.25 39.07 1s46 s ASN 378 CO 0.61 -0.92 -0.01 -0.76 -1.51 0.00 0.00 177.10 174.52 1s46 s LEU 379 N 1.14 2.94 1.11 0.60 1.43 -1.26 -5.14 118.68 119.49 1s46 s LEU 379 Ca 0.73 -1.02 -0.13 0.00 -1.03 0.00 0.00 54.13 52.68 1s46 s LEU 379 Cb -0.48 -1.29 0.25 0.00 0.03 0.00 0.00 46.19 44.71 1s46 s LEU 379 CO 0.32 -0.23 1.05 -2.84 0.23 0.00 0.00 176.35 174.88 1s46 s PRO 380 N -3.70 -0.49 0.59 1.29 0.02 -1.26 -4.96 135.00 126.49 1s46 s PRO 380 Ca 0.34 0.67 -0.20 0.00 0.02 0.00 0.00 61.00 61.84 1s46 s PRO 380 Cb 0.00 -1.62 -0.03 0.00 0.02 0.00 0.00 34.50 32.87 1s46 s PRO 380 CO 0.19 -3.39 1.27 -1.21 -0.33 0.00 0.00 177.00 173.52 1s46 s GLU 381 N -4.66 2.94 -1.42 5.54 2.02 -1.26 -3.39 118.70 118.47 1s46 s GLU 381 Ca 0.67 1.99 0.00 0.00 0.02 0.00 0.00 54.97 57.65 1s46 s GLU 381 Cb -0.22 -2.01 0.00 0.00 0.10 0.00 0.00 34.13 31.99 1s46 s GLU 381 CO 0.62 -1.27 0.00 0.72 0.02 0.00 0.00 175.26 175.34 1s46 n HIS 382 N -1.48 -0.41 -4.12 1.61 8.25 -1.26 -4.63 115.22 113.18 1s46 n HIS 382 Ca 0.13 0.00 -0.11 0.00 -0.26 0.00 0.00 57.72 57.48 1s46 n HIS 382 Cb 0.48 -2.93 -0.11 0.00 1.12 0.00 0.00 29.99 28.55 1s46 n HIS 382 CO 0.00 0.00 0.00 0.95 0.64 0.00 0.00 176.34 177.93 1s46 s THR 383 N -2.67 0.61 0.08 1.59 -4.23 -1.22 -4.60 115.64 105.20 1s46 s THR 383 Ca 0.00 -1.58 -0.09 0.00 -1.18 0.00 0.00 61.69 58.84 1s46 s THR 383 Cb 0.00 -1.24 -0.00 0.00 1.34 0.00 0.00 72.50 72.60 1s46 s THR 383 CO 0.00 -0.68 0.18 0.00 -0.54 0.00 0.00 174.62 173.58 1s46 s ALA 384 N -2.72 -0.23 0.28 3.99 0.00 -0.95 -4.86 121.76 117.28 1s46 s ALA 384 Ca 0.03 -0.57 -0.05 0.00 0.00 0.00 0.00 51.96 51.37 1s46 s ALA 384 Cb -0.01 0.43 -0.05 0.00 0.00 0.00 0.00 23.12 23.49 1s46 s ALA 384 CO -0.03 -0.47 0.55 -1.58 0.00 0.00 0.00 175.76 174.23 1s46 s TRP 385 N -3.58 3.47 -0.45 0.00 0.52 -1.26 -2.90 118.94 114.74 1s46 s TRP 385 Ca 0.03 0.66 -0.07 0.00 0.02 0.00 0.00 56.10 56.74 1s46 s TRP 385 Cb 0.04 -2.12 0.12 0.00 -1.15 0.00 0.00 33.47 30.36 1s46 s TRP 385 CO -0.09 0.19 0.29 0.08 0.02 0.00 0.00 176.95 177.44 1s46 s VAL 386 N -2.05 3.86 -0.02 4.03 1.01 0.73 -0.37 120.40 127.60 1s46 s VAL 386 Ca 0.44 -1.91 -0.24 0.00 0.00 0.00 0.00 61.98 60.27 1s46 s VAL 386 Cb -0.11 -3.58 -0.04 0.00 0.00 0.00 0.00 36.38 32.65 1s46 s VAL 386 CO 0.29 -0.75 0.74 0.20 0.00 0.00 0.00 175.10 175.58 1s46 s ASN 387 N 2.33 7.10 0.15 3.32 0.01 -0.77 -1.57 114.94 125.51 1s46 s ASN 387 Ca 0.07 1.32 -0.05 0.00 -0.71 0.00 0.00 52.86 53.48 1s46 s ASN 387 Cb -0.25 -2.44 -0.02 0.00 0.41 0.00 0.00 41.25 38.95 1s46 s ASN 387 CO -0.02 -0.06 0.18 -0.72 -1.51 0.00 0.00 177.10 174.96 1s46 s TYR 388 N 0.43 0.61 -0.17 2.20 -0.00 -1.26 -0.78 117.35 118.38 1s46 s TYR 388 Ca 0.39 -0.98 -0.05 0.00 -0.00 0.00 0.00 57.07 56.43 1s46 s TYR 388 Cb -0.19 -0.26 -0.09 0.00 -0.00 0.00 0.00 41.96 41.43 1s46 s TYR 388 CO 0.21 -0.62 -0.19 0.28 -0.00 0.00 0.00 175.55 175.22 1s46 n VAL 389 N -0.16 0.92 -4.02 -3.49 0.31 -1.26 -4.34 118.33 106.30 1s46 n VAL 389 Ca -0.06 -0.28 -0.08 0.00 -0.01 0.00 0.00 64.34 63.90 1s46 n VAL 389 Cb 0.63 -1.46 -0.09 0.00 -0.91 0.00 0.00 33.84 32.02 1s46 n VAL 389 CO 0.00 0.00 0.00 -0.13 -1.32 0.00 0.00 176.83 175.38 1s46 s ARG 390 N -2.31 0.75 0.01 5.55 1.81 -1.26 -4.95 118.95 118.54 1s46 s ARG 390 Ca -0.23 -1.17 0.00 0.00 -1.72 0.00 0.00 55.73 52.62 1s46 s ARG 390 Cb 0.08 0.26 -0.00 0.00 -0.45 0.00 0.00 34.95 34.84 1s46 s ARG 390 CO 0.33 -0.19 0.01 -1.13 -0.68 0.00 0.00 175.30 173.63 1s46 n SER 391 N 0.02 -0.02 0.10 0.23 3.41 -1.26 -4.39 113.62 111.70 1s46 n SER 391 Ca -0.13 -1.05 0.13 0.00 -0.26 0.00 0.00 58.87 57.55 1s46 n SER 391 Cb 0.62 0.04 0.44 0.00 -0.26 0.00 0.00 64.21 65.05 1s46 n SER 391 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1s46 n HIS 392 N -0.02 0.79 -2.74 7.33 1.44 -1.26 -4.83 115.22 115.94 1s46 n HIS 392 Ca 0.00 0.25 -0.20 0.00 -2.01 0.00 0.00 57.72 55.76 1s46 n HIS 392 Cb 0.02 -0.90 0.03 0.00 0.12 0.00 0.00 29.99 29.25 1s46 n HIS 392 CO 0.00 0.00 0.00 -0.51 -2.81 0.00 0.00 176.34 173.02 1s46 s ASP 393 N -4.28 5.38 0.84 4.39 1.01 -1.26 -4.88 116.67 117.86 1s46 s ASP 393 Ca 0.10 -0.10 -0.12 0.00 0.71 0.00 0.00 52.55 53.14 1s46 s ASP 393 Cb 0.12 -0.84 0.10 0.00 1.01 0.00 0.00 42.92 43.31 1s46 s ASP 393 CO 0.54 -1.04 1.10 1.51 0.21 0.00 0.00 175.17 177.49 1s46 s ASP 394 N -4.40 4.02 -0.21 0.27 -4.77 -1.26 -4.94 116.67 105.37 1s46 s ASP 394 Ca 0.56 1.35 -0.15 0.00 -3.30 0.00 0.00 52.55 51.02 1s46 s ASP 394 Cb -0.10 -2.05 -0.04 0.00 -1.09 0.00 0.00 42.92 39.63 1s46 s ASP 394 CO 0.37 -2.27 0.35 -0.63 0.70 0.00 0.00 175.17 173.69 1s46 s ILE 395 N -3.08 5.23 -0.08 2.11 1.01 0.55 -4.89 121.20 122.05 1s46 s ILE 395 Ca 0.62 0.60 0.00 0.00 0.00 0.00 0.00 60.65 61.87 1s46 s ILE 395 Cb -0.16 -3.68 -0.03 0.00 0.01 0.00 0.00 42.46 38.60 1s46 s ILE 395 CO 0.55 0.26 -0.07 -0.83 0.00 0.00 0.00 174.94 174.86 1s46 s GLY 396 N 1.08 1.70 -1.36 6.18 0.00 -1.26 -1.75 107.32 111.90 1s46 s GLY 396 Ca 0.17 -0.88 -0.08 0.00 0.00 0.00 0.00 44.72 43.92 1s46 s GLY 396 CO 0.07 -0.61 2.31 0.79 0.00 0.00 0.00 173.10 175.66 1s46 n TRP 397 N 2.34 2.72 -0.91 1.90 7.02 -1.26 -4.77 117.44 124.48 1s46 n TRP 397 Ca -0.18 -2.86 -0.10 0.00 -1.02 0.00 0.00 57.50 53.34 1s46 n TRP 397 Cb 0.53 -2.01 -0.13 0.00 -2.42 0.00 0.00 31.31 27.28 1s46 n TRP 397 CO 0.00 0.00 0.00 0.25 -2.02 0.00 0.00 177.69 175.92 1s46 n THR 398 N 2.67 2.80 -2.87 -0.99 -2.24 -1.26 -4.89 114.28 107.50 1s46 n THR 398 Ca 0.57 -1.33 -0.25 0.00 -2.27 0.00 0.00 64.05 60.77 1s46 n THR 398 Cb 0.29 -1.89 0.00 0.00 -2.10 0.00 0.00 70.33 66.63 1s46 n THR 398 CO 0.00 0.00 0.00 0.72 -0.57 0.00 0.00 175.07 175.22 1s46 s PHE 399 N 0.73 3.41 -0.08 4.78 -0.12 -1.26 -4.35 117.98 121.08 1s46 s PHE 399 Ca 0.53 0.52 -0.26 0.00 -0.05 0.00 0.00 56.93 57.66 1s46 s PHE 399 Cb 0.26 -2.28 -0.03 0.00 -0.63 0.00 0.00 43.02 40.34 1s46 s PHE 399 CO -0.00 -0.29 0.84 0.00 -0.05 0.00 0.00 175.22 175.72 1s46 s ALA 400 N -2.63 3.35 0.41 1.99 0.00 -1.26 -4.89 121.76 118.73 1s46 s ALA 400 Ca 0.47 0.24 0.09 0.00 0.00 0.00 0.00 51.96 52.76 1s46 s ALA 400 Cb -0.10 -3.18 0.86 0.00 0.00 0.00 0.00 23.12 20.69 1s46 s ALA 400 CO 0.41 -0.34 1.99 -0.44 0.00 0.00 0.00 175.76 177.38 1s46 h ASP 401 N 6.97 0.30 -0.13 0.00 3.32 -1.97 -1.39 116.42 123.52 1s46 h ASP 401 Ca -0.37 -0.03 -0.16 0.00 0.02 0.00 0.00 57.03 56.49 1s46 h ASP 401 Cb 1.18 -0.08 -0.01 0.00 0.22 0.00 0.00 39.33 40.65 1s46 h ASP 401 CO 0.79 0.33 -0.47 -0.33 -1.72 0.00 0.00 179.24 177.84 1s46 h GLU 402 N 0.33 0.69 -0.33 3.56 3.07 -1.95 0.05 114.58 119.99 1s46 h GLU 402 Ca 0.08 -0.39 -0.15 0.00 -0.50 0.00 0.00 59.36 58.40 1s46 h GLU 402 Cb 0.18 0.03 -0.00 0.00 -0.84 0.00 0.00 28.75 28.11 1s46 h GLU 402 CO 0.00 1.01 -0.37 -0.44 -1.40 0.00 0.00 179.01 177.81 1s46 h ASP 403 N 0.55 0.89 -0.11 1.42 5.19 -1.86 -2.95 116.42 119.56 1s46 h ASP 403 Ca 0.03 -0.48 -0.12 0.00 -0.62 0.00 0.00 57.03 55.84 1s46 h ASP 403 Cb 1.02 -0.25 -0.01 0.00 0.18 0.00 0.00 39.33 40.26 1s46 h ASP 403 CO 0.10 1.20 -0.34 0.00 -3.12 0.00 0.00 179.24 177.07 1s46 h ALA 404 N 0.72 0.89 -0.04 3.45 0.00 -1.17 -3.03 119.26 120.09 1s46 h ALA 404 Ca 0.05 -0.41 -0.05 0.00 0.00 0.00 0.00 54.91 54.49 1s46 h ALA 404 Cb 0.96 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.62 1s46 h ALA 404 CO 0.09 0.63 -0.23 0.00 0.00 0.00 0.00 179.25 179.73 1s46 h ALA 405 N 1.12 1.55 0.00 0.00 0.00 -0.91 -0.22 119.26 120.79 1s46 h ALA 405 Ca 0.06 -0.23 -0.05 0.00 0.00 0.00 0.00 54.91 54.69 1s46 h ALA 405 Cb 0.83 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.56 1s46 h ALA 405 CO 0.07 0.34 -0.22 -0.92 0.00 0.00 0.00 179.25 178.51 1s46 h TYR 406 N 0.06 0.00 -0.26 0.00 3.20 -1.39 -2.33 116.97 116.24 1s46 h TYR 406 Ca 0.01 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.88 1s46 h TYR 406 Cb 0.45 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.72 1s46 h TYR 406 CO 0.00 0.22 0.00 1.28 -1.64 0.00 0.00 178.16 178.02 1s46 n LEU 407 N -3.50 3.07 -0.24 2.82 4.77 -0.68 -4.95 117.00 118.28 1s46 n LEU 407 Ca -0.01 -1.24 -0.02 0.00 -0.03 0.00 0.00 56.01 54.71 1s46 n LEU 407 Cb 0.38 -0.16 -0.00 0.00 -2.33 0.00 0.00 43.42 41.31 1s46 n LEU 407 CO 0.33 0.62 -0.03 0.61 -1.33 0.00 0.00 177.39 177.59 1s46 n GLY 408 N 1.42 0.33 3.37 -0.72 0.00 -0.88 -5.05 105.19 103.67 1s46 n GLY 408 Ca 0.18 -0.83 -0.33 0.00 0.00 0.00 0.00 46.02 45.03 1s46 n GLY 408 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1s46 s ILE 409 N -2.11 3.23 -0.27 -0.61 1.01 -0.18 -5.00 121.20 117.27 1s46 s ILE 409 Ca 0.00 -0.58 -0.25 0.00 0.00 0.00 0.00 60.65 59.81 1s46 s ILE 409 Cb 0.00 -2.39 0.00 0.00 0.01 0.00 0.00 42.46 40.08 1s46 s ILE 409 CO 0.00 0.50 0.87 -0.55 0.00 0.00 0.00 174.94 175.76 1s46 s SER 410 N 0.60 6.82 0.17 3.58 0.15 -1.26 -3.09 113.70 120.67 1s46 s SER 410 Ca -0.06 0.96 -0.15 0.00 0.70 0.00 0.00 55.95 57.40 1s46 s SER 410 Cb -0.15 -2.45 0.14 0.00 -1.71 0.00 0.00 66.02 61.84 1s46 s SER 410 CO 0.03 -0.61 1.71 1.23 1.20 0.00 0.00 173.24 176.79 1s46 h GLY 411 N 9.42 0.47 0.87 9.45 0.00 -1.93 -1.45 103.07 119.90 1s46 h GLY 411 Ca -0.23 0.02 -0.00 0.00 0.00 0.00 0.00 47.33 47.12 1s46 h GLY 411 CO 0.91 -0.08 -0.00 -1.82 0.00 0.00 0.00 176.54 175.54 1s46 h TYR 412 N 0.16 -0.01 -0.30 5.60 3.20 -1.99 -2.25 116.97 121.38 1s46 h TYR 412 Ca 0.21 -0.00 -0.05 0.00 3.14 0.00 0.00 58.73 62.03 1s46 h TYR 412 Cb 0.29 0.00 -0.02 0.00 1.54 0.00 0.00 36.73 38.55 1s46 h TYR 412 CO -0.25 0.12 -0.04 -0.44 -1.64 0.00 0.00 178.16 175.92 1s46 h ASP 413 N -0.14 0.44 -0.19 -2.11 3.32 -1.97 -2.32 116.42 113.45 1s46 h ASP 413 Ca -0.00 -0.09 -0.16 0.00 0.02 0.00 0.00 57.03 56.80 1s46 h ASP 413 Cb 0.14 -0.12 -0.01 0.00 0.22 0.00 0.00 39.33 39.57 1s46 h ASP 413 CO 0.00 0.54 -0.47 -0.74 -1.72 0.00 0.00 179.24 176.86 1s46 h HIS 414 N 0.45 0.93 0.00 4.55 2.76 -1.16 -2.26 115.15 120.42 1s46 h HIS 414 Ca 0.09 -0.30 -0.09 0.00 -2.20 0.00 0.00 60.37 57.87 1s46 h HIS 414 Cb 0.36 -0.19 -0.01 0.00 1.55 0.00 0.00 27.41 29.12 1s46 h HIS 414 CO 0.01 1.08 -0.44 0.00 -1.30 0.00 0.00 177.93 177.28 1s46 h ARG 415 N 0.60 0.00 -0.33 5.26 3.08 -1.23 -0.58 114.38 121.18 1s46 h ARG 415 Ca 0.03 0.00 -0.08 0.00 0.07 0.00 0.00 59.98 60.00 1s46 h ARG 415 Cb 1.03 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.07 1s46 h ARG 415 CO 0.10 0.44 -0.11 0.37 -1.07 0.00 0.00 179.97 179.70 1s46 h GLN 416 N 0.00 0.67 0.17 0.04 5.75 -1.21 -1.65 115.11 118.88 1s46 h GLN 416 Ca -0.00 -0.27 -0.01 0.00 -0.15 0.00 0.00 58.65 58.22 1s46 h GLN 416 Cb 0.91 -0.03 0.00 0.00 1.07 0.00 0.00 27.48 29.43 1s46 h GLN 416 CO 0.06 0.85 -0.08 0.35 -2.65 0.00 0.00 178.83 177.36 1s46 h PHE 417 N 0.45 -0.21 -0.93 3.99 3.57 -1.11 -2.37 116.94 120.32 1s46 h PHE 417 Ca 0.08 -0.01 0.08 0.00 3.53 0.00 0.00 57.97 61.66 1s46 h PHE 417 Cb 0.63 0.07 -0.07 0.00 2.79 0.00 0.00 35.95 39.37 1s46 h PHE 417 CO 0.05 0.11 0.58 -0.07 -2.23 0.00 0.00 178.31 176.75 1s46 h LEU 418 N -0.56 0.89 -0.44 0.59 3.38 -1.11 0.15 115.31 118.20 1s46 h LEU 418 Ca -0.02 0.03 -0.12 0.00 0.09 0.00 0.00 57.88 57.86 1s46 h LEU 418 Cb 0.42 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.01 1s46 h LEU 418 CO 0.04 0.54 -0.18 0.78 0.09 0.00 0.00 178.44 179.71 1s46 h ASN 419 N 1.00 0.93 -0.27 -0.43 -0.26 -1.32 -1.68 115.58 113.55 1s46 h ASN 419 Ca 0.42 -0.39 -0.14 0.00 -0.56 0.00 0.00 56.30 55.64 1s46 h ASN 419 Cb 0.28 -0.26 -0.01 0.00 -1.06 0.00 0.00 38.32 37.27 1s46 h ASN 419 CO -0.21 1.11 -0.33 0.03 -1.06 0.00 0.00 177.43 176.97 1s46 h ARG 420 N 0.74 0.79 0.20 0.81 3.08 -0.97 -2.87 114.38 116.17 1s46 h ARG 420 Ca 0.10 -0.38 -0.01 0.00 0.07 0.00 0.00 59.98 59.77 1s46 h ARG 420 Cb 0.74 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.79 1s46 h ARG 420 CO 0.06 1.00 -0.10 0.35 -1.07 0.00 0.00 179.97 180.21 1s46 h PHE 421 N 0.66 -0.25 0.00 3.04 3.57 -0.63 0.14 116.94 123.47 1s46 h PHE 421 Ca 0.07 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.56 1s46 h PHE 421 Cb 0.87 0.08 0.00 0.00 2.79 0.00 0.00 35.95 39.69 1s46 h PHE 421 CO 0.05 0.02 0.00 1.19 -2.23 0.00 0.00 178.31 177.33 1s46 n PHE 422 N -5.11 0.00 -0.61 0.41 3.01 -0.64 -2.62 117.46 111.91 1s46 n PHE 422 Ca -0.09 0.00 0.07 0.00 1.01 0.00 0.00 57.45 58.44 1s46 n PHE 422 Cb 0.21 -0.41 0.20 0.00 -0.01 0.00 0.00 39.48 39.47 1s46 n PHE 422 CO 0.00 0.00 0.00 1.33 1.01 0.00 0.00 176.76 179.10 1s46 n VAL 423 N -1.41 1.68 -3.42 -4.37 0.24 -1.09 -1.51 118.33 108.45 1s46 n VAL 423 Ca 0.06 -1.48 -0.19 0.00 -2.04 0.00 0.00 64.34 60.69 1s46 n VAL 423 Cb 0.17 0.10 0.08 0.00 -1.47 0.00 0.00 33.84 32.72 1s46 n VAL 423 CO 0.00 0.00 0.00 -3.20 -2.14 0.00 0.00 176.83 171.49 1s46 n ASN 424 N -0.10 -3.93 -1.53 -1.34 5.15 -1.08 -4.68 115.26 107.76 1s46 n ASN 424 Ca 0.16 -0.54 -0.08 0.00 -0.60 0.00 0.00 54.58 53.52 1s46 n ASN 424 Cb 0.66 -4.78 0.09 0.00 -0.53 0.00 0.00 39.78 35.23 1s46 n ASN 424 CO 0.00 0.00 0.00 0.54 1.40 0.00 0.00 177.26 179.20 1s46 n ARG 425 N -4.29 2.35 -3.80 1.20 5.12 0.48 -5.00 116.66 112.72 1s46 n ARG 425 Ca -0.14 -3.59 -0.13 0.00 -1.93 0.00 0.00 57.85 52.06 1s46 n ARG 425 Cb 0.61 -1.77 -0.11 0.00 -1.16 0.00 0.00 32.46 30.03 1s46 n ARG 425 CO 0.00 0.00 0.00 0.12 -1.93 0.00 0.00 177.63 175.82 1s46 s PHE 426 N -3.17 -0.22 0.20 -1.55 5.36 -1.22 -4.71 117.98 112.66 1s46 s PHE 426 Ca 0.42 0.52 -0.32 0.00 -0.96 0.00 0.00 56.93 56.60 1s46 s PHE 426 Cb 0.38 0.07 -0.12 0.00 -0.34 0.00 0.00 43.02 43.02 1s46 s PHE 426 CO -0.03 -0.15 1.73 0.34 -1.46 0.00 0.00 175.22 175.65 1s46 s ASP 427 N -0.10 6.40 0.00 6.13 -1.08 -1.26 -2.76 116.67 123.99 1s46 s ASP 427 Ca -0.02 2.84 0.00 0.00 -0.52 0.00 0.00 52.55 54.85 1s46 s ASP 427 Cb -0.02 -2.60 0.00 0.00 -1.46 0.00 0.00 42.92 38.84 1s46 s ASP 427 CO 0.01 -0.97 0.00 0.61 0.52 0.00 0.00 175.17 175.34 1s46 n GLY 428 N 4.00 0.40 3.74 2.66 0.00 -1.26 -5.01 105.19 109.72 1s46 n GLY 428 Ca 0.16 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.77 1s46 n GLY 428 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1s46 s SER 429 N -2.03 6.80 0.08 1.61 0.15 -1.11 -4.94 113.70 114.25 1s46 s SER 429 Ca 0.00 2.51 0.24 0.00 0.70 0.00 0.00 55.95 59.40 1s46 s SER 429 Cb 0.00 -2.61 0.29 0.00 -1.71 0.00 0.00 66.02 61.98 1s46 s SER 429 CO 0.00 -0.60 1.25 2.22 1.20 0.00 0.00 173.24 177.31 1s46 n PHE 430 N 2.52 0.37 -2.74 3.44 1.16 -1.26 -4.94 117.46 116.01 1s46 n PHE 430 Ca 0.06 0.11 -0.40 0.00 -1.87 0.00 0.00 57.45 55.35 1s46 n PHE 430 Cb 0.42 -0.52 -0.06 0.00 -1.61 0.00 0.00 39.48 37.71 1s46 n PHE 430 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 1s46 s ALA 431 N -3.15 3.34 -0.49 1.98 0.00 -1.26 -3.09 121.76 119.09 1s46 s ALA 431 Ca 0.06 0.63 0.08 0.00 0.00 0.00 0.00 51.96 52.73 1s46 s ALA 431 Cb 0.14 -3.22 0.36 0.00 0.00 0.00 0.00 23.12 20.41 1s46 s ALA 431 CO 0.74 0.19 0.91 0.54 0.00 0.00 0.00 175.76 178.15 1s46 n ARG 432 N 1.50 2.55 -2.88 0.00 5.12 -0.19 -3.72 116.66 119.04 1s46 n ARG 432 Ca -0.02 -4.34 -0.20 0.00 -1.93 0.00 0.00 57.85 51.36 1s46 n ARG 432 Cb 0.47 -2.04 0.06 0.00 -1.16 0.00 0.00 32.46 29.78 1s46 n ARG 432 CO 0.00 0.00 0.00 0.20 -1.93 0.00 0.00 177.63 175.90 1s46 s GLY 433 N -3.19 1.80 0.06 -0.13 0.00 -0.57 -4.69 107.32 100.59 1s46 s GLY 433 Ca 0.45 -1.85 0.07 0.00 0.00 0.00 0.00 44.72 43.39 1s46 s GLY 433 CO -0.12 -1.45 -0.19 -1.34 0.00 0.00 0.00 173.10 170.00 1s46 s VAL 434 N -2.72 1.55 0.70 1.40 -7.23 -0.44 -4.38 120.40 109.28 1s46 s VAL 434 Ca 0.61 -1.27 -0.14 0.00 -1.81 0.00 0.00 61.98 59.36 1s46 s VAL 434 Cb -0.07 -1.38 0.02 0.00 0.56 0.00 0.00 36.38 35.51 1s46 s VAL 434 CO 0.39 0.07 1.14 -2.84 -0.31 0.00 0.00 175.10 173.55 1s46 s PRO 435 N -1.42 2.47 -0.08 4.82 0.02 -1.26 -1.08 135.00 138.47 1s46 s PRO 435 Ca 0.06 1.51 -0.03 0.00 0.02 0.00 0.00 61.00 62.55 1s46 s PRO 435 Cb -0.09 -1.90 0.04 0.00 0.02 0.00 0.00 34.50 32.58 1s46 s PRO 435 CO 0.02 -1.53 0.16 0.12 -0.33 0.00 0.00 177.00 175.45 1s46 s PHE 436 N -2.27 -0.19 -1.20 6.54 5.36 -0.03 -4.72 117.98 121.46 1s46 s PHE 436 Ca 0.69 0.58 -0.11 0.00 -0.96 0.00 0.00 56.93 57.13 1s46 s PHE 436 Cb -0.23 -0.15 -0.01 0.00 -0.34 0.00 0.00 43.02 42.28 1s46 s PHE 436 CO 0.44 -0.22 0.74 1.04 -1.46 0.00 0.00 175.22 175.76 1s46 n GLN 437 N 4.75 -2.64 -2.24 10.12 1.13 -1.26 -0.89 117.38 126.34 1s46 n GLN 437 Ca -0.16 0.56 -0.42 0.00 -1.94 0.00 0.00 57.00 55.03 1s46 n GLN 437 Cb 0.51 -4.71 -0.03 0.00 0.11 0.00 0.00 30.24 26.12 1s46 n GLN 437 CO 0.00 0.00 0.00 -0.47 -1.44 0.00 0.00 177.06 175.15 1s46 s TYR 438 N -3.57 2.66 -0.41 1.08 5.04 -1.26 -4.37 117.35 116.53 1s46 s TYR 438 Ca 0.29 0.74 -0.09 0.00 -2.44 0.00 0.00 57.07 55.57 1s46 s TYR 438 Cb -0.09 -3.67 0.07 0.00 0.35 0.00 0.00 41.96 38.63 1s46 s TYR 438 CO 0.83 -2.51 0.24 1.21 -1.34 0.00 0.00 175.55 173.98 1s46 s ASN 439 N 2.24 5.63 0.58 4.32 3.84 -0.24 -4.87 114.94 126.44 1s46 s ASN 439 Ca 0.63 -1.43 0.36 0.00 0.21 0.00 0.00 52.86 52.63 1s46 s ASN 439 Cb -0.29 -1.98 1.71 0.00 -0.55 0.00 0.00 41.25 40.14 1s46 s ASN 439 CO 0.24 -0.51 2.12 1.55 -2.79 0.00 0.00 177.10 177.70 1s46 h PRO 440 N 8.40 0.00 0.00 0.43 0.13 -1.93 0.42 132.00 139.44 1s46 h PRO 440 Ca -0.23 0.00 -0.10 0.00 -0.87 0.00 0.00 66.00 64.80 1s46 h PRO 440 Cb 1.08 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.20 1s46 h PRO 440 CO 0.74 0.02 -0.49 1.03 -0.23 0.00 0.00 178.00 179.07 1s46 h SER 441 N 0.00 0.00 0.00 1.44 0.87 -1.97 -3.37 113.55 110.52 1s46 h SER 441 Ca -0.00 0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.55 1s46 h SER 441 Cb 0.34 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 62.29 1s46 h SER 441 CO 0.00 0.49 -1.04 0.35 -0.53 0.00 0.00 176.83 176.11 1s46 n THR 442 N -3.33 0.03 -0.44 2.23 -2.24 -1.03 -5.02 114.28 104.47 1s46 n THR 442 Ca 0.01 -0.02 0.00 0.00 -2.27 0.00 0.00 64.05 61.77 1s46 n THR 442 Cb 0.67 -0.50 0.00 0.00 -2.10 0.00 0.00 70.33 68.41 1s46 n THR 442 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1s46 n GLY 443 N 2.80 0.73 3.77 3.38 0.00 0.14 -5.05 105.19 110.96 1s46 n GLY 443 Ca -0.01 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.63 1s46 n GLY 443 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1s46 s ASP 444 N -2.94 7.15 -0.08 1.61 2.15 -1.23 -4.86 116.67 118.47 1s46 s ASP 444 Ca 0.00 2.02 -0.23 0.00 0.43 0.00 0.00 52.55 54.77 1s46 s ASP 444 Cb 0.00 -2.60 0.05 0.00 -0.30 0.00 0.00 42.92 40.08 1s46 s ASP 444 CO 0.00 -0.21 0.54 0.00 -0.17 0.00 0.00 175.17 175.32 1s46 s ARG 446 N -0.89 1.93 -0.10 0.00 3.00 -0.07 -4.79 118.95 118.04 1s46 s ARG 446 Ca -0.09 -1.78 0.02 0.00 0.00 0.00 0.00 55.73 53.87 1s46 s ARG 446 Cb -0.03 -1.85 -0.02 0.00 0.00 0.00 0.00 34.95 33.06 1s46 s ARG 446 CO 0.06 0.20 -0.15 0.08 0.00 0.00 0.00 175.30 175.49 1s46 s VAL 447 N -2.53 2.93 0.10 3.52 1.01 -0.72 -0.86 120.40 123.87 1s46 s VAL 447 Ca 0.33 -0.73 0.06 0.00 0.00 0.00 0.00 61.98 61.64 1s46 s VAL 447 Cb -0.01 -2.19 -0.04 0.00 0.00 0.00 0.00 36.38 34.14 1s46 s VAL 447 CO 0.18 0.55 -0.04 -0.44 0.00 0.00 0.00 175.10 175.35 1s46 s SER 448 N -0.05 4.78 0.00 3.32 0.01 -0.24 -0.33 113.70 121.18 1s46 s SER 448 Ca -0.03 -0.27 0.00 0.00 1.31 0.00 0.00 55.95 56.95 1s46 s SER 448 Cb -0.14 -1.05 0.00 0.00 0.21 0.00 0.00 66.02 65.04 1s46 s SER 448 CO 0.04 0.17 0.00 0.61 0.41 0.00 0.00 173.24 174.47 1s46 n GLY 449 N 0.54 4.88 3.68 3.44 0.00 -1.26 -1.33 105.19 115.13 1s46 n GLY 449 Ca -0.12 -1.07 -0.29 0.00 0.00 0.00 0.00 46.02 44.55 1s46 n GLY 449 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1s46 s THR 450 N -1.45 2.17 0.25 2.61 -4.23 -1.26 -4.82 115.64 108.92 1s46 s THR 450 Ca 0.00 0.06 -0.06 0.00 -1.18 0.00 0.00 61.69 60.51 1s46 s THR 450 Cb 0.00 -2.55 0.26 0.00 1.34 0.00 0.00 72.50 71.55 1s46 s THR 450 CO 0.00 -0.07 1.93 0.00 -0.54 0.00 0.00 174.62 175.94 1s46 h ALA 451 N -1.84 1.29 -0.48 3.99 0.00 -1.96 -2.21 119.26 118.05 1s46 h ALA 451 Ca -0.54 -0.07 -0.11 0.00 0.00 0.00 0.00 54.91 54.20 1s46 h ALA 451 Cb 1.32 -0.40 -0.02 0.00 0.00 0.00 0.00 17.79 18.69 1s46 h ALA 451 CO 0.57 0.65 -0.14 0.00 0.00 0.00 0.00 179.25 180.33 1s46 h ALA 452 N 1.38 0.85 -0.10 0.00 0.00 -1.89 -2.72 119.26 116.77 1s46 h ALA 452 Ca 0.37 -0.35 -0.14 0.00 0.00 0.00 0.00 54.91 54.79 1s46 h ALA 452 Cb -0.14 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.46 1s46 h ALA 452 CO -0.08 0.65 -0.55 0.00 0.00 0.00 0.00 179.25 179.26 1s46 h ALA 453 N 1.03 0.87 0.00 0.00 0.00 -1.74 -0.38 119.26 119.05 1s46 h ALA 453 Ca 0.12 -0.51 0.00 0.00 0.00 0.00 0.00 54.91 54.52 1s46 h ALA 453 Cb 0.68 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.38 1s46 h ALA 453 CO 0.05 0.69 -0.19 1.28 0.00 0.00 0.00 179.25 181.08 1s46 n LEU 454 N -3.92 0.60 -0.00 0.00 4.77 -0.86 -1.03 117.00 116.55 1s46 n LEU 454 Ca -0.02 0.43 0.10 0.00 -0.03 0.00 0.00 56.01 56.48 1s46 n LEU 454 Cb 0.58 -0.32 -0.13 0.00 -2.33 0.00 0.00 43.42 41.23 1s46 n LEU 454 CO 0.44 -0.09 -0.23 1.33 -1.33 0.00 0.00 177.39 177.51 1s46 n VAL 455 N -2.01 0.00 0.00 4.08 0.24 -1.04 -4.09 118.33 115.52 1s46 n VAL 455 Ca 0.05 -0.14 0.00 0.00 -2.04 0.00 0.00 64.34 62.21 1s46 n VAL 455 Cb 0.41 0.74 0.00 0.00 -1.47 0.00 0.00 33.84 33.52 1s46 n VAL 455 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1s46 n GLY 456 N 1.44 1.20 0.27 7.63 0.00 -1.07 -4.33 105.19 110.32 1s46 n GLY 456 Ca 0.02 0.00 0.16 0.00 0.00 0.00 0.00 46.02 46.20 1s46 n GLY 456 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1s46 h LEU 457 N 0.00 0.00 -0.89 0.99 5.85 -1.33 -1.94 115.31 117.99 1s46 h LEU 457 Ca 0.00 0.00 -0.07 0.00 0.84 0.00 0.00 57.88 58.65 1s46 h LEU 457 Cb 0.00 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.01 1s46 h LEU 457 CO 0.00 0.05 0.08 0.00 -0.34 0.00 0.00 178.44 178.23 1s46 h ALA 458 N 1.95 1.09 -0.73 1.25 0.00 -1.86 -2.55 119.26 118.41 1s46 h ALA 458 Ca -0.00 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.66 1s46 h ALA 458 Cb 0.54 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.11 1s46 h ALA 458 CO 0.01 0.59 0.00 0.00 0.00 0.00 0.00 179.25 179.85 1s46 n GLN 459 N -4.23 2.95 -3.49 0.00 0.00 -1.17 -4.97 117.38 106.47 1s46 n GLN 459 Ca 0.04 -2.73 -0.20 0.00 0.00 0.00 0.00 57.00 54.10 1s46 n GLN 459 Cb 0.27 -1.65 0.08 0.00 0.00 0.00 0.00 30.24 28.95 1s46 n GLN 459 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.06 176.81 1s46 n ASP 460 N 1.58 -3.97 -4.68 2.61 8.00 -0.96 -4.97 116.55 114.16 1s46 n ASP 460 Ca 0.25 -0.58 -0.42 0.00 0.71 0.00 0.00 54.79 54.75 1s46 n ASP 460 Cb 0.69 -5.03 -0.03 0.00 -0.02 0.00 0.00 41.12 36.73 1s46 n ASP 460 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1s46 s ASP 461 N -3.88 6.59 0.12 -2.24 -1.08 -0.74 -4.88 116.67 110.55 1s46 s ASP 461 Ca 0.26 2.49 0.09 0.00 -0.52 0.00 0.00 52.55 54.87 1s46 s ASP 461 Cb -0.11 -2.56 0.46 0.00 -1.46 0.00 0.00 42.92 39.25 1s46 s ASP 461 CO 0.72 -0.91 1.27 -0.81 0.52 0.00 0.00 175.17 175.96 1s46 n PRO 462 N 5.90 0.05 0.00 4.34 -0.04 -1.26 -1.62 135.00 142.38 1s46 n PRO 462 Ca 0.16 0.54 0.11 0.00 -0.04 0.00 0.00 63.50 64.27 1s46 n PRO 462 Cb 0.41 -1.67 -0.09 0.00 -0.04 0.00 0.00 33.50 32.11 1s46 n PRO 462 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 1s46 n HIS 463 N -1.78 0.07 -0.19 0.54 8.25 -1.26 -4.64 115.22 116.20 1s46 n HIS 463 Ca -0.00 0.02 0.00 0.00 -0.26 0.00 0.00 57.72 57.48 1s46 n HIS 463 Cb 0.02 -0.26 0.10 0.00 1.12 0.00 0.00 29.99 30.97 1s46 n HIS 463 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1s46 h ALA 464 N 2.61 0.61 -0.62 -1.41 0.00 -1.50 -2.04 119.26 116.91 1s46 h ALA 464 Ca 0.00 0.16 -0.03 0.00 0.00 0.00 0.00 54.91 55.05 1s46 h ALA 464 Cb 0.70 0.26 -0.03 0.00 0.00 0.00 0.00 17.79 18.72 1s46 h ALA 464 CO 0.00 -0.37 0.29 0.28 0.00 0.00 0.00 179.25 179.45 1s46 h VAL 465 N 0.16 1.22 -0.03 0.00 2.07 -1.82 -2.77 116.25 115.08 1s46 h VAL 465 Ca 0.31 -0.64 -0.09 0.00 0.82 0.00 0.00 66.70 67.09 1s46 h VAL 465 Cb 0.48 0.49 -0.01 0.00 -1.52 0.00 0.00 31.29 30.73 1s46 h VAL 465 CO -0.46 0.26 -0.43 0.44 0.02 0.00 0.00 177.57 177.40 1s46 h ASP 466 N 0.85 0.06 -0.47 0.57 3.32 -1.79 -2.59 116.42 116.38 1s46 h ASP 466 Ca 0.21 -0.03 -0.10 0.00 0.02 0.00 0.00 57.03 57.14 1s46 h ASP 466 Cb 0.14 -0.02 -0.01 0.00 0.22 0.00 0.00 39.33 39.66 1s46 h ASP 466 CO -0.02 0.49 -0.08 0.03 -1.72 0.00 0.00 179.24 177.93 1s46 h ARG 467 N 0.05 0.88 -0.39 3.56 3.08 -1.12 -1.19 114.38 119.26 1s46 h ARG 467 Ca 0.00 -0.32 -0.04 0.00 0.07 0.00 0.00 59.98 59.69 1s46 h ARG 467 Cb 0.78 -0.06 -0.02 0.00 0.08 0.00 0.00 29.97 30.76 1s46 h ARG 467 CO 0.06 0.96 0.08 0.82 -1.07 0.00 0.00 179.97 180.83 1s46 h ILE 468 N 0.72 1.23 -0.12 2.04 2.04 -1.36 -1.24 117.51 120.82 1s46 h ILE 468 Ca 0.12 -0.80 -0.04 0.00 1.00 0.00 0.00 64.86 65.14 1s46 h ILE 468 Cb 0.62 1.02 -0.01 0.00 -0.74 0.00 0.00 36.82 37.71 1s46 h ILE 468 CO 0.04 0.28 -0.12 0.11 0.00 0.00 0.00 178.15 178.46 1s46 h LYS 469 N 0.48 0.19 -0.03 2.37 1.57 -1.36 -1.71 116.57 118.08 1s46 h LYS 469 Ca 0.12 -0.04 -0.05 0.00 -1.87 0.00 0.00 60.65 58.82 1s46 h LYS 469 Cb 0.33 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.61 1s46 h LYS 469 CO 0.00 0.32 -0.16 1.25 -0.57 0.00 0.00 179.45 180.29 1s46 h LEU 470 N 0.18 0.19 -0.59 2.94 5.85 -0.82 -2.41 115.31 120.64 1s46 h LEU 470 Ca 0.04 -0.68 -0.02 0.00 0.84 0.00 0.00 57.88 58.06 1s46 h LEU 470 Cb 0.33 -0.06 -0.03 0.00 0.37 0.00 0.00 40.66 41.27 1s46 h LEU 470 CO 0.02 0.84 0.28 -0.07 -0.34 0.00 0.00 178.44 179.17 1s46 h LEU 471 N -0.45 0.77 -1.05 2.25 3.38 -1.10 -2.84 115.31 116.28 1s46 h LEU 471 Ca -0.01 -0.13 -0.10 0.00 0.09 0.00 0.00 57.88 57.73 1s46 h LEU 471 Cb 0.84 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.38 1s46 h LEU 471 CO 0.03 0.69 -0.43 1.88 0.09 0.00 0.00 178.44 180.69 1s46 h TYR 472 N 0.80 0.10 -0.39 1.13 0.05 -1.41 -2.99 116.97 114.27 1s46 h TYR 472 Ca 0.20 -0.03 -0.05 0.00 0.05 0.00 0.00 58.73 58.90 1s46 h TYR 472 Cb 0.12 -0.02 -0.02 0.00 1.01 0.00 0.00 36.73 37.82 1s46 h TYR 472 CO -0.00 0.51 0.03 0.66 -1.05 0.00 0.00 178.16 178.30 1s46 h SER 473 N 0.07 0.57 -0.23 3.88 4.64 -1.19 0.20 113.55 121.49 1s46 h SER 473 Ca 0.00 -0.11 -0.17 0.00 -0.47 0.00 0.00 61.79 61.05 1s46 h SER 473 Cb 0.80 -0.15 0.00 0.00 -0.31 0.00 0.00 62.40 62.74 1s46 h SER 473 CO 0.06 0.63 -0.50 0.40 -0.87 0.00 0.00 176.83 176.54 1s46 h ILE 474 N 0.58 1.30 -0.05 0.95 1.08 -1.42 -1.55 117.51 118.40 1s46 h ILE 474 Ca 0.13 -1.71 -0.10 0.00 -0.39 0.00 0.00 64.86 62.78 1s46 h ILE 474 Cb 0.33 1.78 -0.01 0.00 -3.07 0.00 0.00 36.82 35.85 1s46 h ILE 474 CO 0.01 0.54 -0.44 0.00 -0.69 0.00 0.00 178.15 177.57 1s46 h ALA 475 N 0.63 1.17 0.00 1.87 0.00 -1.31 -2.02 119.26 119.60 1s46 h ALA 475 Ca 0.00 -0.42 0.00 0.00 0.00 0.00 0.00 54.91 54.50 1s46 h ALA 475 Cb 1.11 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.82 1s46 h ALA 475 CO 0.11 0.58 -0.51 -0.07 0.00 0.00 0.00 179.25 179.37 1s46 h LEU 476 N 0.09 0.00 -0.15 0.00 3.38 -0.91 -3.40 115.31 114.33 1s46 h LEU 476 Ca 0.01 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1s46 h LEU 476 Cb 0.82 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.57 1s46 h LEU 476 CO 0.06 0.00 0.00 -1.54 0.09 0.00 0.00 178.44 177.06 1s46 n SER 477 N -2.85 0.15 0.18 -0.43 3.41 -0.59 -4.75 113.62 108.74 1s46 n SER 477 Ca 0.02 -0.57 0.03 0.00 -0.26 0.00 0.00 58.87 58.09 1s46 n SER 477 Cb 0.54 0.84 0.34 0.00 -0.26 0.00 0.00 64.21 65.66 1s46 n SER 477 CO 0.00 0.00 0.00 0.71 -0.16 0.00 0.00 175.04 175.59 1s46 h THR 478 N 0.00 1.20 0.00 6.66 1.35 -1.58 -3.48 112.91 117.06 1s46 h THR 478 Ca 0.00 -1.45 0.00 0.00 -0.55 0.00 0.00 66.41 64.41 1s46 h THR 478 Cb 0.00 1.80 0.00 0.00 -1.73 0.00 0.00 68.15 68.23 1s46 h THR 478 CO 0.00 0.40 0.00 0.61 -0.25 0.00 0.00 175.52 176.28 1s46 n GLY 479 N -0.21 2.86 0.00 5.82 0.00 -1.26 -4.58 105.19 107.82 1s46 n GLY 479 Ca -0.01 -1.03 0.00 0.00 0.00 0.00 0.00 46.02 44.97 1s46 n GLY 479 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1s46 n GLY 480 N 0.37 1.00 3.55 -0.02 0.00 -1.25 -4.61 105.19 104.23 1s46 n GLY 480 Ca 0.00 -2.01 -0.42 0.00 0.00 0.00 0.00 46.02 43.58 1s46 n GLY 480 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1s46 s LEU 481 N 0.00 4.33 0.16 0.99 0.20 0.51 -4.88 118.68 119.99 1s46 s LEU 481 Ca 0.00 -0.05 -0.30 0.00 0.69 0.00 0.00 54.13 54.47 1s46 s LEU 481 Cb 0.00 -2.80 -0.07 0.00 -0.43 0.00 0.00 46.19 42.89 1s46 s LEU 481 CO 0.00 -0.71 1.02 -2.16 -0.29 0.00 0.00 176.35 174.21 1s46 s PRO 482 N 2.85 4.67 -0.26 0.98 0.04 -1.26 -1.85 135.00 140.16 1s46 s PRO 482 Ca 0.25 1.58 0.03 0.00 0.04 0.00 0.00 61.00 62.90 1s46 s PRO 482 Cb -0.14 -3.32 0.06 0.00 0.04 0.00 0.00 34.50 31.14 1s46 s PRO 482 CO 0.17 0.19 -0.10 -1.17 0.04 0.00 0.00 177.00 176.13 1s46 s LEU 483 N -0.32 3.52 -0.05 -3.56 2.96 0.04 -0.04 118.68 121.22 1s46 s LEU 483 Ca 0.47 -1.43 -0.23 0.00 -0.22 0.00 0.00 54.13 52.72 1s46 s LEU 483 Cb -0.26 -1.56 -0.04 0.00 0.50 0.00 0.00 46.19 44.83 1s46 s LEU 483 CO 0.32 -0.20 0.69 -0.63 -1.32 0.00 0.00 176.35 175.21 1s46 s ILE 484 N 1.09 5.00 -0.56 6.68 1.01 -0.06 -4.35 121.20 130.01 1s46 s ILE 484 Ca -0.08 1.43 -0.26 0.00 0.00 0.00 0.00 60.65 61.74 1s46 s ILE 484 Cb -0.20 -4.03 0.04 0.00 0.01 0.00 0.00 42.46 38.27 1s46 s ILE 484 CO -0.05 0.28 1.05 -0.47 0.00 0.00 0.00 174.94 175.76 1s46 s TYR 485 N 0.59 2.71 -0.04 3.97 5.04 -1.26 -1.12 117.35 127.24 1s46 s TYR 485 Ca 0.37 0.19 -0.34 0.00 -2.44 0.00 0.00 57.07 54.85 1s46 s TYR 485 Cb -0.18 -4.27 -0.12 0.00 0.35 0.00 0.00 41.96 37.74 1s46 s TYR 485 CO 0.18 -1.45 1.85 1.28 -1.34 0.00 0.00 175.55 176.07 1s46 n LEU 486 N 7.90 3.48 0.00 6.97 4.77 -0.48 -1.35 117.00 138.30 1s46 n LEU 486 Ca 0.05 0.98 0.00 0.00 -0.03 0.00 0.00 56.01 57.01 1s46 n LEU 486 Cb 0.48 -1.40 0.00 0.00 -2.33 0.00 0.00 43.42 40.17 1s46 n LEU 486 CO 0.67 -0.06 0.00 0.61 -1.33 0.00 0.00 177.39 177.29 1s46 n GLY 487 N 4.27 1.00 0.19 -0.72 0.00 -1.26 -4.92 105.19 103.76 1s46 n GLY 487 Ca 0.21 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.28 1s46 n GLY 487 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1s46 h ASP 488 N 1.50 0.00 0.40 1.61 5.19 -1.55 -1.66 116.42 121.90 1s46 h ASP 488 Ca 0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 1s46 h ASP 488 Cb 0.00 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.51 1s46 h ASP 488 CO 0.00 0.37 0.00 -1.84 -3.12 0.00 0.00 179.24 174.65 1s46 n GLU 489 N -3.75 0.15 0.00 3.56 0.00 -1.26 -2.21 120.64 117.13 1s46 n GLU 489 Ca -0.01 0.16 0.00 0.00 0.00 0.00 0.00 57.16 57.31 1s46 n GLU 489 Cb 0.45 -1.50 0.00 0.00 0.00 0.00 0.00 31.44 30.39 1s46 n GLU 489 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.13 178.46 1s46 n VAL 490 N -1.36 0.56 -3.10 3.84 0.24 -1.14 -1.92 118.33 115.45 1s46 n VAL 490 Ca 0.06 -0.62 -0.14 0.00 -2.04 0.00 0.00 64.34 61.61 1s46 n VAL 490 Cb 0.15 0.77 0.06 0.00 -1.47 0.00 0.00 33.84 33.35 1s46 n VAL 490 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1s46 n GLY 491 N -0.28 -0.09 3.72 7.63 0.00 -0.94 -4.27 105.19 110.96 1s46 n GLY 491 Ca 0.00 -0.06 -0.42 0.00 0.00 0.00 0.00 46.02 45.54 1s46 n GLY 491 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1s46 s THR 492 N -3.23 3.04 0.63 2.61 2.01 -0.64 -4.86 115.64 115.20 1s46 s THR 492 Ca 0.18 0.76 -0.06 0.00 0.31 0.00 0.00 61.69 62.88 1s46 s THR 492 Cb -0.08 -3.49 0.14 0.00 0.01 0.00 0.00 72.50 69.08 1s46 s THR 492 CO 0.50 0.07 0.86 0.18 -0.69 0.00 0.00 174.62 175.53 1s46 n LEU 493 N 3.77 0.00 -4.76 4.42 4.77 -1.26 -4.33 117.00 119.60 1s46 n LEU 493 Ca 0.12 -1.31 -0.32 0.00 -0.03 0.00 0.00 56.01 54.47 1s46 n LEU 493 Cb 0.41 -0.62 0.07 0.00 -2.33 0.00 0.00 43.42 40.95 1s46 n LEU 493 CO 0.60 -1.03 0.72 0.20 -1.33 0.00 0.00 177.39 176.55 1s46 s ASN 494 N -4.29 4.74 -0.34 -1.43 0.01 -1.26 -4.76 114.94 107.61 1s46 s ASN 494 Ca 0.52 1.95 -0.28 0.00 -0.71 0.00 0.00 52.86 54.34 1s46 s ASN 494 Cb -0.02 -2.54 0.02 0.00 0.41 0.00 0.00 41.25 39.12 1s46 s ASN 494 CO 0.36 -1.88 1.03 -0.62 -1.51 0.00 0.00 177.10 174.48 1s46 s ASP 495 N -2.90 6.84 0.19 -1.22 -1.08 -0.08 -4.93 116.67 113.49 1s46 s ASP 495 Ca 0.65 0.88 0.00 0.00 -0.52 0.00 0.00 52.55 53.56 1s46 s ASP 495 Cb -0.20 -2.52 0.11 0.00 -1.46 0.00 0.00 42.92 38.85 1s46 s ASP 495 CO 0.48 -0.89 1.47 0.44 0.52 0.00 0.00 175.17 177.19 1s46 h ASP 496 N 8.27 0.42 -0.89 -0.34 3.32 -1.94 -3.34 116.42 121.93 1s46 h ASP 496 Ca -0.21 -0.26 -0.51 0.00 0.02 0.00 0.00 57.03 56.06 1s46 h ASP 496 Cb 1.07 -0.12 -0.27 0.00 0.22 0.00 0.00 39.33 40.22 1s46 h ASP 496 CO 1.02 0.98 0.66 0.47 -1.72 0.00 0.00 179.24 180.65 1s46 n ASP 497 N -3.84 4.96 0.10 6.45 8.00 -1.26 -4.46 116.55 126.50 1s46 n ASP 497 Ca -0.04 -3.51 -0.22 0.00 0.71 0.00 0.00 54.79 51.73 1s46 n ASP 497 Cb 0.68 -0.87 -0.14 0.00 -0.02 0.00 0.00 41.12 40.77 1s46 n ASP 497 CO 0.00 0.00 0.00 4.11 -0.39 0.00 0.00 177.20 180.92 1s46 h TRP 498 N 1.23 0.86 0.00 1.24 5.08 -1.91 -3.33 115.95 119.13 1s46 h TRP 498 Ca 0.56 -0.59 -0.01 0.00 1.08 0.00 0.00 58.89 59.93 1s46 h TRP 498 Cb 2.05 -0.05 -0.00 0.00 -3.00 0.00 0.00 29.16 28.16 1s46 h TRP 498 CO 1.39 1.45 -0.07 0.66 -1.28 0.00 0.00 178.44 180.59 1s46 h SER 499 N 0.04 0.00 -2.39 0.11 4.64 -1.88 -3.16 113.55 110.91 1s46 h SER 499 Ca -0.20 0.00 -0.69 0.00 -0.47 0.00 0.00 61.79 60.43 1s46 h SER 499 Cb 1.90 0.00 -0.35 0.00 -0.31 0.00 0.00 62.40 63.64 1s46 h SER 499 CO 0.22 0.07 0.08 0.00 -0.87 0.00 0.00 176.83 176.33 1s46 n GLN 500 N -3.61 3.87 -3.24 4.77 6.02 -1.25 -4.61 117.38 119.33 1s46 n GLN 500 Ca -0.02 -4.71 0.03 0.00 -0.01 0.00 0.00 57.00 52.29 1s46 n GLN 500 Cb 0.18 -2.36 -0.02 0.00 1.02 0.00 0.00 30.24 29.06 1s46 n GLN 500 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.06 176.39 1s46 s ASP 501 N -2.36 -1.30 0.56 1.08 -1.08 -1.19 -5.02 116.67 107.36 1s46 s ASP 501 Ca 0.40 0.97 0.28 0.00 -0.52 0.00 0.00 52.55 53.69 1s46 s ASP 501 Cb 0.18 2.16 1.47 0.00 -1.46 0.00 0.00 42.92 45.26 1s46 s ASP 501 CO -0.05 -0.24 1.94 0.77 0.52 0.00 0.00 175.17 178.11 1s46 h SER 502 N 7.99 0.00 0.50 -0.34 4.64 -1.88 0.17 113.55 124.63 1s46 h SER 502 Ca -0.22 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.10 1s46 h SER 502 Cb 1.15 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.24 1s46 h SER 502 CO 0.22 0.00 -0.55 0.59 -0.87 0.00 0.00 176.83 176.22 1s46 n ASN 503 N -4.07 0.54 -0.00 4.97 3.02 -1.26 -4.33 115.26 114.12 1s46 n ASN 503 Ca 0.11 -0.26 0.01 0.00 -0.03 0.00 0.00 54.58 54.40 1s46 n ASN 503 Cb 0.69 0.30 -0.01 0.00 -0.61 0.00 0.00 39.78 40.15 1s46 n ASN 503 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1s46 n LYS 504 N -1.55 0.19 0.11 3.52 5.02 -0.45 -4.75 118.16 120.24 1s46 n LYS 504 Ca 0.05 -0.01 0.19 0.00 -2.02 0.00 0.00 58.31 56.52 1s46 n LYS 504 Cb 0.34 -1.03 0.76 0.00 -0.02 0.00 0.00 35.03 35.08 1s46 n LYS 504 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 1s46 h SER 505 N 0.00 0.00 -0.22 4.39 4.64 -0.78 -2.04 113.55 119.55 1s46 h SER 505 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1s46 h SER 505 Cb 0.10 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.19 1s46 h SER 505 CO 0.00 0.00 0.00 -0.90 -0.87 0.00 0.00 176.83 175.06 1s46 n ASP 506 N -3.90 2.37 -3.69 4.97 5.75 -1.26 -4.74 116.55 116.06 1s46 n ASP 506 Ca 0.06 -1.82 -0.29 0.00 -0.01 0.00 0.00 54.79 52.74 1s46 n ASP 506 Cb 0.52 -0.14 -0.16 0.00 -1.03 0.00 0.00 41.12 40.32 1s46 n ASP 506 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 1s46 s ASP 507 N -1.61 3.44 0.00 -1.12 -1.08 -0.77 -5.01 116.67 110.52 1s46 s ASP 507 Ca 0.34 -1.22 0.19 0.00 -0.52 0.00 0.00 52.55 51.35 1s46 s ASP 507 Cb 0.20 -0.63 0.99 0.00 -1.46 0.00 0.00 42.92 42.03 1s46 s ASP 507 CO 0.29 -0.38 1.58 -1.54 0.52 0.00 0.00 175.17 175.64 1s46 n SER 508 N 5.03 0.00 0.20 -0.34 3.41 -1.26 -3.19 113.62 117.47 1s46 n SER 508 Ca -0.06 -0.11 0.15 0.00 -0.26 0.00 0.00 58.87 58.59 1s46 n SER 508 Cb 0.44 -0.23 0.63 0.00 -0.26 0.00 0.00 64.21 64.79 1s46 n SER 508 CO 0.00 0.00 0.00 0.03 -0.16 0.00 0.00 175.04 174.91 1s46 h ARG 509 N 0.00 0.00 0.00 4.33 3.08 -1.91 -2.25 114.38 117.63 1s46 h ARG 509 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1s46 h ARG 509 Cb 0.14 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.19 1s46 h ARG 509 CO 0.00 0.00 0.00 0.91 -1.07 0.00 0.00 179.97 179.81 1s46 n TRP 510 N -2.59 0.00 -0.04 3.04 7.02 -1.19 -2.41 117.44 121.27 1s46 n TRP 510 Ca 0.01 0.00 -0.08 0.00 -1.02 0.00 0.00 57.50 56.41 1s46 n TRP 510 Cb 0.22 -0.49 0.09 0.00 -2.42 0.00 0.00 31.31 28.71 1s46 n TRP 510 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1s46 h ALA 511 N 2.74 0.83 -0.64 6.99 0.00 -1.68 -2.94 119.26 124.57 1s46 h ALA 511 Ca 0.00 -0.42 -0.09 0.00 0.00 0.00 0.00 54.91 54.40 1s46 h ALA 511 Cb 0.36 -0.12 -0.05 0.00 0.00 0.00 0.00 17.79 17.98 1s46 h ALA 511 CO 0.00 0.64 0.11 -2.39 0.00 0.00 0.00 179.25 177.61 1s46 n HIS 512 N -4.05 2.23 -3.08 0.00 1.44 -1.01 -0.91 115.22 109.84 1s46 n HIS 512 Ca -0.01 -0.90 -0.25 0.00 -2.01 0.00 0.00 57.72 54.54 1s46 n HIS 512 Cb 0.50 -0.58 -0.05 0.00 0.12 0.00 0.00 29.99 29.98 1s46 n HIS 512 CO 0.00 0.00 0.00 0.54 -2.81 0.00 0.00 176.34 174.07 1s46 n ARG 513 N 0.32 2.53 -2.06 -1.40 1.74 -1.11 -4.78 116.66 111.90 1s46 n ARG 513 Ca 0.33 -4.44 -0.28 0.00 -0.77 0.00 0.00 57.85 52.69 1s46 n ARG 513 Cb 1.27 -2.08 0.07 0.00 -1.02 0.00 0.00 32.46 30.70 1s46 n ARG 513 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 1s46 s PRO 514 N -2.99 2.23 0.90 5.56 0.04 -1.26 -4.94 135.00 134.54 1s46 s PRO 514 Ca 0.45 -0.00 -0.13 0.00 0.04 0.00 0.00 61.00 61.36 1s46 s PRO 514 Cb 0.27 -2.07 0.14 0.00 0.04 0.00 0.00 34.50 32.87 1s46 s PRO 514 CO -0.11 -1.32 1.18 1.03 0.04 0.00 0.00 177.00 177.83 1s46 s ARG 515 N -5.38 1.23 -0.02 4.56 0.52 -1.26 -4.81 118.95 113.79 1s46 s ARG 515 Ca 0.60 0.08 -0.30 0.00 -0.52 0.00 0.00 55.73 55.60 1s46 s ARG 515 Cb -0.11 -1.87 -0.07 0.00 0.52 0.00 0.00 34.95 33.42 1s46 s ARG 515 CO 0.47 -2.10 1.85 -0.47 0.02 0.00 0.00 175.30 175.08 1s46 s TYR 516 N -3.48 1.56 -0.62 -0.53 5.04 0.23 -4.93 117.35 114.62 1s46 s TYR 516 Ca 0.65 -0.12 -0.22 0.00 -2.44 0.00 0.00 57.07 54.94 1s46 s TYR 516 Cb -0.11 -4.10 0.06 0.00 0.35 0.00 0.00 41.96 38.17 1s46 s TYR 516 CO 0.52 -4.74 0.91 1.21 -1.34 0.00 0.00 175.55 172.11 1s46 s ASN 517 N 4.28 6.21 0.23 4.32 3.84 -1.26 -4.91 114.94 127.66 1s46 s ASN 517 Ca 0.83 -0.87 -0.07 0.00 0.21 0.00 0.00 52.86 52.97 1s46 s ASN 517 Cb -0.38 -2.40 0.30 0.00 -0.55 0.00 0.00 41.25 38.21 1s46 s ASN 517 CO 0.36 -1.33 1.85 -0.33 -2.79 0.00 0.00 177.10 174.87 1s46 h GLU 518 N 9.44 0.91 -0.71 0.43 4.39 -1.99 -2.61 114.58 124.45 1s46 h GLU 518 Ca -0.28 -0.05 -0.05 0.00 0.34 0.00 0.00 59.36 59.32 1s46 h GLU 518 Cb 1.07 -0.21 -0.03 0.00 -0.10 0.00 0.00 28.75 29.49 1s46 h GLU 518 CO 1.14 0.60 0.25 0.00 -1.16 0.00 0.00 179.01 179.85 1s46 h ALA 519 N 1.38 0.92 -0.00 3.43 0.00 -1.99 -2.41 119.26 120.59 1s46 h ALA 519 Ca 0.35 -0.20 -0.18 0.00 0.00 0.00 0.00 54.91 54.88 1s46 h ALA 519 Cb 0.13 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 1s46 h ALA 519 CO -0.16 0.57 -0.82 -0.07 0.00 0.00 0.00 179.25 178.77 1s46 h LEU 520 N 1.02 0.15 -0.69 0.00 3.38 -1.90 -3.18 115.31 114.10 1s46 h LEU 520 Ca 0.23 -0.12 -0.06 0.00 0.09 0.00 0.00 57.88 58.02 1s46 h LEU 520 Cb 0.25 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 40.95 1s46 h LEU 520 CO -0.01 0.91 -0.27 1.88 0.09 0.00 0.00 178.44 181.03 1s46 h TYR 521 N 0.07 0.00 -0.00 1.13 -1.99 -1.35 -2.81 116.97 112.01 1s46 h TYR 521 Ca -0.03 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.70 1s46 h TYR 521 Cb 1.43 0.00 0.00 0.00 2.00 0.00 0.00 36.73 40.16 1s46 h TYR 521 CO 0.02 0.27 -0.11 0.00 -0.00 0.00 0.00 178.16 178.34 1s46 n ALA 522 N -2.21 2.64 0.52 3.88 0.00 -0.92 -3.17 120.51 121.24 1s46 n ALA 522 Ca 0.01 -0.17 0.09 0.00 0.00 0.00 0.00 53.44 53.37 1s46 n ALA 522 Cb 0.52 -1.39 0.11 0.00 0.00 0.00 0.00 19.45 18.69 1s46 n ALA 522 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1s46 n GLN 523 N -1.42 1.72 0.33 0.00 6.02 -1.07 -4.67 117.38 118.29 1s46 n GLN 523 Ca 0.08 -1.72 0.21 0.00 -0.01 0.00 0.00 57.00 55.56 1s46 n GLN 523 Cb 0.32 -1.35 1.13 0.00 1.02 0.00 0.00 30.24 31.36 1s46 n GLN 523 CO 0.00 0.00 0.00 0.07 -1.01 0.00 0.00 177.06 176.12 1s46 h ARG 524 N 3.38 0.00 -0.26 -1.09 0.11 -1.51 -2.06 114.38 112.95 1s46 h ARG 524 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 1s46 h ARG 524 Cb 0.76 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.84 1s46 h ARG 524 CO 0.00 0.00 0.00 0.09 0.10 0.00 0.00 179.97 180.16 1s46 n ASN 525 N -3.27 2.98 -4.46 0.08 3.02 -1.26 -4.38 115.26 107.97 1s46 n ASN 525 Ca -0.03 -1.87 -0.43 0.00 -0.03 0.00 0.00 54.58 52.22 1s46 n ASN 525 Cb 0.08 -0.17 -0.10 0.00 -0.61 0.00 0.00 39.78 38.99 1s46 n ASN 525 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1s46 s ASP 526 N -1.32 6.11 0.00 6.41 -1.08 -0.78 -4.97 116.67 121.04 1s46 s ASP 526 Ca 0.29 -0.91 0.16 0.00 -0.52 0.00 0.00 52.55 51.57 1s46 s ASP 526 Cb 0.18 -2.16 0.97 0.00 -1.46 0.00 0.00 42.92 40.44 1s46 s ASP 526 CO 0.25 -0.45 1.38 -0.81 0.52 0.00 0.00 175.17 176.05 1s46 n PRO 527 N 5.16 0.52 0.02 4.34 -0.04 -1.26 -2.60 135.00 141.14 1s46 n PRO 527 Ca -0.11 0.00 0.11 0.00 -0.04 0.00 0.00 63.50 63.46 1s46 n PRO 527 Cb 0.47 -1.48 -0.03 0.00 -0.04 0.00 0.00 33.50 32.42 1s46 n PRO 527 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1s46 n SER 528 N -0.98 0.57 -4.96 3.54 7.64 -1.26 -4.63 113.62 113.54 1s46 n SER 528 Ca 0.12 -0.24 -0.23 0.00 1.01 0.00 0.00 58.87 59.53 1s46 n SER 528 Cb 0.06 1.01 -0.02 0.00 -1.01 0.00 0.00 64.21 64.25 1s46 n SER 528 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 1s46 s THR 529 N -3.24 5.24 0.28 0.44 -4.23 -1.07 -5.01 115.64 108.05 1s46 s THR 529 Ca 0.02 -0.81 -0.00 0.00 -1.18 0.00 0.00 61.69 59.72 1s46 s THR 529 Cb 0.14 -3.83 0.13 0.00 1.34 0.00 0.00 72.50 70.28 1s46 s THR 529 CO 0.83 -0.31 1.79 0.00 -0.54 0.00 0.00 174.62 176.39 1s46 h ALA 530 N 1.35 1.18 -0.59 3.99 0.00 -1.92 -2.08 119.26 121.19 1s46 h ALA 530 Ca -0.51 -0.25 -0.09 0.00 0.00 0.00 0.00 54.91 54.07 1s46 h ALA 530 Cb 1.22 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.80 1s46 h ALA 530 CO 0.63 0.54 0.02 0.00 0.00 0.00 0.00 179.25 180.44 1s46 h ALA 531 N 1.33 0.92 -0.05 0.00 0.00 -1.86 -1.98 119.26 117.62 1s46 h ALA 531 Ca 0.14 -0.29 -0.19 0.00 0.00 0.00 0.00 54.91 54.56 1s46 h ALA 531 Cb 0.41 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 17.97 1s46 h ALA 531 CO 0.02 0.65 -0.78 0.78 0.00 0.00 0.00 179.25 179.92 1s46 h GLY 532 N 1.01 0.40 1.27 0.00 0.00 -1.43 -1.74 103.07 102.58 1s46 h GLY 532 Ca 0.17 -0.61 -0.13 0.00 0.00 0.00 0.00 47.33 46.77 1s46 h GLY 532 CO 0.02 0.54 -0.27 1.46 0.00 0.00 0.00 176.54 178.30 1s46 h GLN 533 N 0.24 0.82 -0.08 4.80 4.20 -1.22 -1.84 115.11 122.03 1s46 h GLN 533 Ca -0.04 -0.36 -0.11 0.00 0.06 0.00 0.00 58.65 58.20 1s46 h GLN 533 Cb 1.36 -0.02 0.01 0.00 0.30 0.00 0.00 27.48 29.13 1s46 h GLN 533 CO 0.13 0.99 -0.38 0.82 -0.67 0.00 0.00 178.83 179.72 1s46 h ILE 534 N 0.70 1.41 0.57 2.54 2.04 -1.36 -2.22 117.51 121.18 1s46 h ILE 534 Ca 0.09 -1.77 -0.03 0.00 1.00 0.00 0.00 64.86 64.15 1s46 h ILE 534 Cb 0.80 2.29 0.01 0.00 -0.74 0.00 0.00 36.82 39.18 1s46 h ILE 534 CO 0.07 0.52 -0.27 0.22 0.00 0.00 0.00 178.15 178.68 1s46 h TYR 535 N -0.06 -0.70 0.00 1.37 3.20 -0.61 -0.50 116.97 119.66 1s46 h TYR 535 Ca -0.03 -0.02 -0.03 0.00 3.14 0.00 0.00 58.73 61.80 1s46 h TYR 535 Cb 1.03 0.23 -0.00 0.00 1.54 0.00 0.00 36.73 39.53 1s46 h TYR 535 CO 0.12 -0.40 -0.15 1.96 -1.64 0.00 0.00 178.16 178.06 1s46 h GLN 536 N -0.86 0.00 -0.12 1.82 4.20 -1.46 0.32 115.11 119.00 1s46 h GLN 536 Ca -0.08 0.00 -0.07 0.00 0.06 0.00 0.00 58.65 58.56 1s46 h GLN 536 Cb 0.62 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.40 1s46 h GLN 536 CO 0.13 0.15 -0.20 0.78 -0.67 0.00 0.00 178.83 179.02 1s46 h GLY 537 N 0.49 0.39 1.44 3.46 0.00 -1.26 -2.31 103.07 105.27 1s46 h GLY 537 Ca -0.00 -0.44 -0.20 0.00 0.00 0.00 0.00 47.33 46.69 1s46 h GLY 537 CO 0.02 0.39 -0.74 1.41 0.00 0.00 0.00 176.54 177.63 1s46 h LEU 538 N -0.06 0.66 -0.93 3.11 4.07 -0.73 -2.98 115.31 118.44 1s46 h LEU 538 Ca 0.01 -0.43 -0.06 0.00 0.08 0.00 0.00 57.88 57.48 1s46 h LEU 538 Cb 0.77 -0.19 -0.02 0.00 1.08 0.00 0.00 40.66 42.30 1s46 h LEU 538 CO 0.05 1.19 0.08 -0.09 -1.08 0.00 0.00 178.44 178.58 1s46 h ARG 539 N 0.38 0.86 -0.51 1.13 9.65 -0.42 -1.02 114.38 124.45 1s46 h ARG 539 Ca -0.04 -0.20 -0.07 0.00 -1.10 0.00 0.00 59.98 58.57 1s46 h ARG 539 Cb 1.33 -0.11 -0.02 0.00 -1.39 0.00 0.00 29.97 29.77 1s46 h ARG 539 CO 0.14 0.81 0.05 1.25 2.80 0.00 0.00 179.97 185.02 1s46 h HIS 540 N 0.82 0.94 -0.26 2.20 2.76 -1.41 -0.62 115.15 119.57 1s46 h HIS 540 Ca 0.17 -0.14 -0.10 0.00 -2.20 0.00 0.00 60.37 58.10 1s46 h HIS 540 Cb 0.38 -0.25 -0.01 0.00 1.55 0.00 0.00 27.41 29.07 1s46 h HIS 540 CO 0.02 0.86 -0.26 0.52 -1.30 0.00 0.00 177.93 177.77 1s46 h MET 541 N 0.74 0.50 -0.25 5.26 2.86 -1.30 -1.30 114.93 121.44 1s46 h MET 541 Ca 0.15 -0.19 -0.11 0.00 -2.06 0.00 0.00 59.70 57.48 1s46 h MET 541 Cb 0.45 -0.03 -0.00 0.00 0.06 0.00 0.00 31.60 32.08 1s46 h MET 541 CO 0.02 0.72 -0.29 0.82 1.06 0.00 0.00 176.91 179.24 1s46 h ILE 542 N 0.44 1.31 -0.64 -1.22 2.04 -1.00 -1.51 117.51 116.94 1s46 h ILE 542 Ca 0.06 -1.47 -0.01 0.00 1.00 0.00 0.00 64.86 64.44 1s46 h ILE 542 Cb 0.68 1.68 -0.03 0.00 -0.74 0.00 0.00 36.82 38.41 1s46 h ILE 542 CO 0.05 0.46 0.34 0.00 0.00 0.00 0.00 178.15 179.00 1s46 h ALA 543 N 0.67 0.82 -0.31 1.87 0.00 -0.90 -1.55 119.26 119.87 1s46 h ALA 543 Ca 0.04 -0.11 -0.07 0.00 0.00 0.00 0.00 54.91 54.76 1s46 h ALA 543 Cb 0.86 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.39 1s46 h ALA 543 CO 0.07 0.34 -0.10 0.28 0.00 0.00 0.00 179.25 179.85 1s46 h VAL 544 N 0.87 1.28 -0.33 0.00 2.07 -1.22 -2.32 116.25 116.61 1s46 h VAL 544 Ca 0.22 -1.16 0.00 0.00 0.82 0.00 0.00 66.70 66.59 1s46 h VAL 544 Cb 0.06 1.40 -0.02 0.00 -1.52 0.00 0.00 31.29 31.21 1s46 h VAL 544 CO -0.03 0.37 0.22 -0.09 0.02 0.00 0.00 177.57 178.06 1s46 h ARG 545 N 0.37 0.43 -0.04 1.57 2.43 -1.05 -1.29 114.38 116.81 1s46 h ARG 545 Ca 0.07 -0.03 -0.13 0.00 -0.81 0.00 0.00 59.98 59.09 1s46 h ARG 545 Cb 0.60 -0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 30.04 1s46 h ARG 545 CO 0.03 0.29 -0.58 1.96 -1.51 0.00 0.00 179.97 180.16 1s46 h GLN 546 N 0.44 0.12 0.02 0.20 4.20 -1.29 -3.32 115.11 115.49 1s46 h GLN 546 Ca 0.12 -0.08 -0.31 0.00 0.06 0.00 0.00 58.65 58.44 1s46 h GLN 546 Cb -0.05 0.01 -0.05 0.00 0.30 0.00 0.00 27.48 27.70 1s46 h GLN 546 CO -0.03 0.67 -1.81 -1.13 -0.67 0.00 0.00 178.83 175.85 1s46 n SER 547 N -3.88 1.00 -4.61 1.46 3.41 -0.87 -4.50 113.62 105.64 1s46 n SER 547 Ca -0.02 0.35 -0.41 0.00 -0.26 0.00 0.00 58.87 58.53 1s46 n SER 547 Cb 0.59 -0.10 -0.07 0.00 -0.26 0.00 0.00 64.21 64.37 1s46 n SER 547 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 175.04 175.09 1s46 s ASN 548 N -6.19 6.46 0.00 4.04 3.84 -0.49 -4.97 114.94 117.63 1s46 s ASN 548 Ca -0.08 0.46 0.12 0.00 0.21 0.00 0.00 52.86 53.57 1s46 s ASN 548 Cb 0.08 -2.30 0.57 0.00 -0.55 0.00 0.00 41.25 39.04 1s46 s ASN 548 CO 0.81 -0.39 1.32 -0.81 -2.79 0.00 0.00 177.10 175.25 1s46 n PRO 549 N 5.71 0.11 0.02 0.43 -0.04 -1.26 -3.20 135.00 136.77 1s46 n PRO 549 Ca -0.03 0.22 0.09 0.00 -0.04 0.00 0.00 63.50 63.74 1s46 n PRO 549 Cb 0.49 -1.50 0.40 0.00 -0.04 0.00 0.00 33.50 32.85 1s46 n PRO 549 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1s46 n ARG 550 N -1.36 0.03 0.00 0.54 1.74 -1.26 -2.47 116.66 113.88 1s46 n ARG 550 Ca 0.05 0.21 0.11 0.00 -0.77 0.00 0.00 57.85 57.45 1s46 n ARG 550 Cb 0.11 -1.55 0.04 0.00 -1.02 0.00 0.00 32.46 30.05 1s46 n ARG 550 CO 0.00 0.00 0.00 1.19 -1.52 0.00 0.00 177.63 177.30 1s46 n PHE 551 N -1.60 0.00 -1.93 -1.55 3.72 -1.19 -4.20 117.46 110.71 1s46 n PHE 551 Ca 0.04 0.00 -0.39 0.00 -0.05 0.00 0.00 57.45 57.05 1s46 n PHE 551 Cb 0.22 0.00 0.01 0.00 -0.94 0.00 0.00 39.48 38.77 1s46 n PHE 551 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 176.76 177.05 1s46 s ASP 552 N -2.23 6.00 0.00 4.37 2.15 -1.03 -4.61 116.67 121.31 1s46 s ASP 552 Ca 0.23 2.75 0.00 0.00 0.43 0.00 0.00 52.55 55.96 1s46 s ASP 552 Cb 0.19 -2.64 0.00 0.00 -0.30 0.00 0.00 42.92 40.17 1s46 s ASP 552 CO 0.44 -1.08 0.00 0.61 -0.17 0.00 0.00 175.17 174.97 1s46 n GLY 553 N 0.62 -0.58 0.26 2.66 0.00 -0.62 -4.77 105.19 102.76 1s46 n GLY 553 Ca 0.05 -1.77 0.03 0.00 0.00 0.00 0.00 46.02 44.33 1s46 n GLY 553 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1s46 n GLY 554 N -0.60 -0.27 3.83 -0.02 0.00 -1.26 -3.80 105.19 103.07 1s46 n GLY 554 Ca 0.00 -0.18 -0.35 0.00 0.00 0.00 0.00 46.02 45.49 1s46 n GLY 554 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1s46 s ARG 555 N -0.58 4.09 0.12 1.61 1.81 -1.26 -4.62 118.95 120.12 1s46 s ARG 555 Ca 0.08 0.68 -0.10 0.00 -1.72 0.00 0.00 55.73 54.67 1s46 s ARG 555 Cb 0.05 -2.77 0.00 0.00 -0.45 0.00 0.00 34.95 31.78 1s46 s ARG 555 CO 0.08 0.36 0.27 -0.48 -0.68 0.00 0.00 175.30 174.84 1s46 s LEU 556 N -2.27 1.06 -0.07 2.53 0.05 -1.26 -4.54 118.68 114.18 1s46 s LEU 556 Ca 0.45 -0.65 0.01 0.00 0.05 0.00 0.00 54.13 53.98 1s46 s LEU 556 Cb -0.14 1.27 0.02 0.00 -2.05 0.00 0.00 46.19 45.28 1s46 s LEU 556 CO 0.20 -0.81 -0.06 -0.69 -0.55 0.00 0.00 176.35 174.43 1s46 s VAL 557 N -3.88 0.74 0.55 1.48 1.01 -0.88 -4.91 120.40 114.51 1s46 s VAL 557 Ca 0.08 -0.19 -0.17 0.00 0.00 0.00 0.00 61.98 61.70 1s46 s VAL 557 Cb 0.04 -0.76 -0.06 0.00 0.00 0.00 0.00 36.38 35.59 1s46 s VAL 557 CO -0.08 0.29 1.03 0.42 0.00 0.00 0.00 175.10 176.76 1s46 s THR 558 N 1.21 4.07 -0.12 3.92 -4.23 -1.26 0.49 115.64 119.72 1s46 s THR 558 Ca -0.06 1.04 0.03 0.00 -1.18 0.00 0.00 61.69 61.52 1s46 s THR 558 Cb -0.14 -3.51 0.01 0.00 1.34 0.00 0.00 72.50 70.20 1s46 s THR 558 CO -0.02 -0.52 -0.23 0.12 -0.54 0.00 0.00 174.62 173.43 1s46 s PHE 559 N -2.43 2.62 -0.50 3.99 5.36 -0.04 -4.78 117.98 122.19 1s46 s PHE 559 Ca 0.62 -1.20 -0.28 0.00 -0.96 0.00 0.00 56.93 55.11 1s46 s PHE 559 Cb -0.14 -1.77 0.02 0.00 -0.34 0.00 0.00 43.02 40.80 1s46 s PHE 559 CO 0.32 -0.52 1.29 -0.80 -1.46 0.00 0.00 175.22 174.05 1s46 s ASN 560 N 0.59 6.39 0.43 6.13 0.01 -1.26 -4.04 114.94 123.19 1s46 s ASN 560 Ca -0.13 0.44 0.22 0.00 -0.71 0.00 0.00 52.86 52.69 1s46 s ASN 560 Cb -0.17 -2.55 0.32 0.00 0.41 0.00 0.00 41.25 39.26 1s46 s ASN 560 CO 0.03 -1.46 1.59 0.71 -1.51 0.00 0.00 177.10 176.46 1s46 h THR 561 N 6.32 0.05 -1.56 1.60 1.35 -1.92 -3.48 112.91 115.27 1s46 h THR 561 Ca -0.26 -1.08 -0.33 0.00 -0.55 0.00 0.00 66.41 64.20 1s46 h THR 561 Cb 1.08 2.02 -0.07 0.00 -1.73 0.00 0.00 68.15 69.45 1s46 h THR 561 CO 1.14 0.03 -0.36 0.59 -0.25 0.00 0.00 175.52 176.67 1s46 n ASN 562 N -3.10 -4.90 -3.63 5.36 3.02 -1.26 -4.66 115.26 106.09 1s46 n ASN 562 Ca 0.04 0.19 -0.25 0.00 -0.03 0.00 0.00 54.58 54.53 1s46 n ASN 562 Cb 0.54 -3.93 -0.17 0.00 -0.61 0.00 0.00 39.78 35.61 1s46 n ASN 562 CO 0.00 0.00 0.00 0.21 -2.62 0.00 0.00 177.26 174.85 1s46 s ASN 563 N -2.54 2.10 0.26 6.41 3.84 -1.26 -5.00 114.94 118.74 1s46 s ASN 563 Ca 0.00 -0.46 0.16 0.00 0.21 0.00 0.00 52.86 52.76 1s46 s ASN 563 Cb 0.00 -0.23 0.86 0.00 -0.55 0.00 0.00 41.25 41.32 1s46 s ASN 563 CO 0.00 -0.33 1.45 2.29 -2.79 0.00 0.00 177.10 177.73 1s46 n LYS 564 N 5.27 0.10 -0.00 0.43 2.85 -1.26 -1.72 118.16 123.83 1s46 n LYS 564 Ca -0.06 0.59 0.11 0.00 -1.05 0.00 0.00 58.31 57.89 1s46 n LYS 564 Cb 0.49 -1.91 -0.12 0.00 -0.65 0.00 0.00 35.03 32.84 1s46 n LYS 564 CO 0.00 0.00 0.00 0.72 -0.05 0.00 0.00 177.40 178.07 1s46 n HIS 565 N -2.06 0.04 -4.38 5.58 8.25 -1.26 -0.27 115.22 121.11 1s46 n HIS 565 Ca -0.01 0.01 -0.34 0.00 -0.26 0.00 0.00 57.72 57.12 1s46 n HIS 565 Cb 0.10 -0.29 -0.12 0.00 1.12 0.00 0.00 29.99 30.79 1s46 n HIS 565 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 1s46 s ILE 566 N -3.27 3.81 0.17 1.59 1.01 -0.70 -0.66 121.20 123.15 1s46 s ILE 566 Ca 0.00 -0.38 -0.10 0.00 0.00 0.00 0.00 60.65 60.17 1s46 s ILE 566 Cb 0.15 -2.67 -0.07 0.00 0.01 0.00 0.00 42.46 39.88 1s46 s ILE 566 CO 0.88 0.49 0.49 -0.51 0.00 0.00 0.00 174.94 176.29 1s46 s ILE 567 N 0.47 4.98 -0.11 2.92 1.10 -0.28 -4.72 121.20 125.56 1s46 s ILE 567 Ca -0.04 0.48 -0.07 0.00 -0.51 0.00 0.00 60.65 60.51 1s46 s ILE 567 Cb -0.14 -3.65 0.04 0.00 0.15 0.00 0.00 42.46 38.86 1s46 s ILE 567 CO 0.03 0.09 0.26 -0.83 -2.11 0.00 0.00 174.94 172.38 1s46 s GLY 568 N -2.11 -0.18 -0.01 1.50 0.00 -1.26 -1.74 107.32 103.53 1s46 s GLY 568 Ca 0.41 0.95 -0.17 0.00 0.00 0.00 0.00 44.72 45.91 1s46 s GLY 568 CO 0.21 1.07 0.36 -2.52 0.00 0.00 0.00 173.10 172.21 1s46 s TYR 569 N 0.87 -0.24 -0.12 1.90 1.13 -0.82 -0.86 117.35 119.22 1s46 s TYR 569 Ca -0.06 0.35 0.01 0.00 -1.41 0.00 0.00 57.07 55.95 1s46 s TYR 569 Cb -0.07 0.14 -0.01 0.00 -1.10 0.00 0.00 41.96 40.91 1s46 s TYR 569 CO -0.06 -0.43 -0.14 0.42 -2.51 0.00 0.00 175.55 172.83 1s46 s ILE 570 N -1.43 2.95 -0.17 -3.49 1.01 0.18 -0.56 121.20 119.68 1s46 s ILE 570 Ca -0.12 -0.71 -0.04 0.00 0.00 0.00 0.00 60.65 59.78 1s46 s ILE 570 Cb -0.04 -2.22 -0.03 0.00 0.01 0.00 0.00 42.46 40.19 1s46 s ILE 570 CO 0.04 0.54 -0.03 -0.13 0.00 0.00 0.00 174.94 175.36 1s46 s ARG 571 N 0.20 3.64 -1.06 2.79 1.81 0.34 -2.07 118.95 124.60 1s46 s ARG 571 Ca -0.09 -0.53 0.00 0.00 -1.72 0.00 0.00 55.73 53.40 1s46 s ARG 571 Cb -0.15 -2.97 0.00 0.00 -0.45 0.00 0.00 34.95 31.37 1s46 s ARG 571 CO 0.05 0.14 0.00 0.09 -0.68 0.00 0.00 175.30 174.90 1s46 n ASN 572 N 3.84 -3.29 -1.83 0.23 3.02 -1.26 -1.17 115.26 114.80 1s46 n ASN 572 Ca -0.17 0.25 -0.18 0.00 -0.03 0.00 0.00 54.58 54.44 1s46 n ASN 572 Cb 0.52 -2.96 -0.05 0.00 -0.61 0.00 0.00 39.78 36.68 1s46 n ASN 572 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 1s46 n ASN 573 N -1.06 -4.99 0.00 6.41 5.15 -1.26 -4.76 115.26 114.75 1s46 n ASN 573 Ca -0.12 0.31 0.00 0.00 -0.60 0.00 0.00 54.58 54.17 1s46 n ASN 573 Cb 0.49 -4.36 0.00 0.00 -0.53 0.00 0.00 39.78 35.38 1s46 n ASN 573 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1s46 n ALA 574 N 0.00 0.55 -3.85 5.20 0.00 -0.49 -4.61 120.51 117.32 1s46 n ALA 574 Ca -0.19 0.00 -0.28 0.00 0.00 0.00 0.00 53.44 52.96 1s46 n ALA 574 Cb 0.62 0.00 -0.16 0.00 0.00 0.00 0.00 19.45 19.91 1s46 n ALA 574 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 1s46 s LEU 575 N -0.64 1.64 -0.37 0.00 1.98 -0.32 -1.22 118.68 119.75 1s46 s LEU 575 Ca 0.00 -0.80 -0.14 0.00 -2.89 0.00 0.00 54.13 50.30 1s46 s LEU 575 Cb 0.00 -0.85 -0.00 0.00 0.66 0.00 0.00 46.19 46.00 1s46 s LEU 575 CO 0.00 -0.23 0.31 -0.22 -1.89 0.00 0.00 176.35 174.31 1s46 s LEU 576 N 1.67 4.69 -0.16 -0.68 2.96 0.72 -0.50 118.68 127.38 1s46 s LEU 576 Ca -0.01 -0.53 -0.06 0.00 -0.22 0.00 0.00 54.13 53.31 1s46 s LEU 576 Cb -0.16 -2.22 -0.04 0.00 0.50 0.00 0.00 46.19 44.27 1s46 s LEU 576 CO -0.07 -0.35 0.06 0.00 -1.32 0.00 0.00 176.35 174.66 1s46 s ALA 577 N 1.83 3.42 -0.02 5.97 0.00 0.28 -0.47 121.76 132.76 1s46 s ALA 577 Ca 0.08 -0.74 0.07 0.00 0.00 0.00 0.00 51.96 51.36 1s46 s ALA 577 Cb -0.18 -1.84 -0.02 0.00 0.00 0.00 0.00 23.12 21.09 1s46 s ALA 577 CO 0.11 0.29 -0.22 -0.06 0.00 0.00 0.00 175.76 175.88 1s46 s PHE 578 N 0.02 1.97 -0.15 0.00 0.08 0.05 -1.94 117.98 118.01 1s46 s PHE 578 Ca 0.05 -0.38 -0.04 0.00 0.12 0.00 0.00 56.93 56.69 1s46 s PHE 578 Cb -0.12 -1.27 0.07 0.00 -0.57 0.00 0.00 43.02 41.13 1s46 s PHE 578 CO 0.01 -0.04 0.16 0.20 -0.10 0.00 0.00 175.22 175.46 1s46 s GLY 579 N -0.50 0.11 -0.26 4.36 0.00 -0.71 -1.21 107.32 109.11 1s46 s GLY 579 Ca 0.08 0.22 -0.26 0.00 0.00 0.00 0.00 44.72 44.75 1s46 s GLY 579 CO -0.01 1.87 0.92 0.21 0.00 0.00 0.00 173.10 176.09 1s46 s ASN 580 N 2.27 6.91 -0.15 1.64 2.47 -0.81 -1.13 114.94 126.13 1s46 s ASN 580 Ca 0.04 1.10 0.17 0.00 0.42 0.00 0.00 52.86 54.59 1s46 s ASN 580 Cb -0.14 -2.48 0.73 0.00 -1.45 0.00 0.00 41.25 37.90 1s46 s ASN 580 CO -0.09 -0.63 1.64 0.49 -3.72 0.00 0.00 177.10 174.80 1s46 n PHE 581 N 6.25 1.60 -4.15 0.43 3.72 0.17 -3.59 117.46 121.88 1s46 n PHE 581 Ca 0.08 -0.67 -0.25 0.00 -0.05 0.00 0.00 57.45 56.56 1s46 n PHE 581 Cb 0.47 -0.33 -0.06 0.00 -0.94 0.00 0.00 39.48 38.62 1s46 n PHE 581 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 1s46 s SER 582 N -0.97 5.18 0.00 4.37 0.15 -1.26 -4.49 113.70 116.68 1s46 s SER 582 Ca 0.51 -0.29 0.18 0.00 0.70 0.00 0.00 55.95 57.06 1s46 s SER 582 Cb 0.35 -1.24 0.63 0.00 -1.71 0.00 0.00 66.02 64.05 1s46 s SER 582 CO 0.20 0.05 1.47 -1.84 1.20 0.00 0.00 173.24 174.32 1s46 n GLU 583 N -0.47 1.79 -4.42 5.44 0.00 -1.26 -2.74 120.64 118.99 1s46 n GLU 583 Ca -0.08 -1.20 -0.23 0.00 0.00 0.00 0.00 57.16 55.64 1s46 n GLU 583 Cb 0.56 -1.37 -0.10 0.00 0.00 0.00 0.00 31.44 30.52 1s46 n GLU 583 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.13 177.84 1s46 s TYR 584 N -1.71 2.12 0.16 -1.84 2.02 -1.26 -4.74 117.35 112.11 1s46 s TYR 584 Ca 0.31 -0.40 -0.31 0.00 -0.37 0.00 0.00 57.07 56.30 1s46 s TYR 584 Cb 0.16 -0.96 -0.09 0.00 -0.40 0.00 0.00 41.96 40.67 1s46 s TYR 584 CO 0.24 0.57 1.43 -2.14 -1.57 0.00 0.00 175.55 174.08 1s46 s PRO 585 N -3.32 4.29 0.11 -1.71 0.02 -1.26 -4.28 135.00 128.85 1s46 s PRO 585 Ca 0.25 2.18 0.10 0.00 0.02 0.00 0.00 61.00 63.55 1s46 s PRO 585 Cb -0.05 -3.19 -0.04 0.00 0.02 0.00 0.00 34.50 31.24 1s46 s PRO 585 CO 0.12 -0.45 -0.25 -0.65 -0.33 0.00 0.00 177.00 175.43 1s46 s GLN 586 N 0.69 1.40 -0.04 5.54 -1.52 -0.51 -4.96 119.66 120.25 1s46 s GLN 586 Ca 0.64 -1.25 0.06 0.00 -1.95 0.00 0.00 55.36 52.86 1s46 s GLN 586 Cb -0.39 -1.78 -0.02 0.00 -0.22 0.00 0.00 33.01 30.60 1s46 s GLN 586 CO 0.34 0.43 -0.22 0.99 -0.25 0.00 0.00 175.29 176.57 1s46 s THR 587 N -1.03 2.37 -0.34 -0.19 2.01 -1.26 -0.08 115.64 117.12 1s46 s THR 587 Ca 0.12 -0.98 -0.07 0.00 0.31 0.00 0.00 61.69 61.06 1s46 s THR 587 Cb -0.10 -1.86 0.04 0.00 0.01 0.00 0.00 72.50 70.58 1s46 s THR 587 CO 0.05 0.58 0.12 -0.69 -0.69 0.00 0.00 174.62 173.99 1s46 s VAL 588 N -0.56 3.91 0.96 3.82 1.01 0.11 -4.77 120.40 124.88 1s46 s VAL 588 Ca 0.08 -1.06 -0.11 0.00 0.00 0.00 0.00 61.98 60.89 1s46 s VAL 588 Cb -0.11 -3.20 0.17 0.00 0.00 0.00 0.00 36.38 33.25 1s46 s VAL 588 CO 0.00 -0.17 1.12 0.42 0.00 0.00 0.00 175.10 176.47 1s46 s THR 589 N 1.43 2.11 0.38 3.92 -4.23 -1.26 -1.19 115.64 116.80 1s46 s THR 589 Ca -0.01 0.04 0.08 0.00 -1.18 0.00 0.00 61.69 60.62 1s46 s THR 589 Cb -0.19 -2.09 0.16 0.00 1.34 0.00 0.00 72.50 71.72 1s46 s THR 589 CO 0.03 -0.05 1.91 0.00 -0.54 0.00 0.00 174.62 175.97 1s46 h ALA 590 N -2.00 1.48 -0.62 3.99 0.00 -1.90 -2.80 119.26 117.42 1s46 h ALA 590 Ca -0.47 -0.20 -0.05 0.00 0.00 0.00 0.00 54.91 54.19 1s46 h ALA 590 Cb 1.28 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.94 1s46 h ALA 590 CO 0.44 0.37 0.17 1.25 0.00 0.00 0.00 179.25 181.48 1s46 h HIS 591 N 0.30 1.01 0.00 0.00 6.17 -1.93 -2.70 115.15 118.01 1s46 h HIS 591 Ca 0.06 -0.11 -0.10 0.00 0.71 0.00 0.00 60.37 60.93 1s46 h HIS 591 Cb 0.35 -0.29 -0.01 0.00 2.52 0.00 0.00 27.41 29.98 1s46 h HIS 591 CO 0.01 0.84 -0.47 1.15 0.71 0.00 0.00 177.93 180.17 1s46 h THR 592 N 0.89 1.33 -0.44 6.26 2.02 -1.87 -3.21 112.91 117.89 1s46 h THR 592 Ca 0.20 -1.62 0.00 0.00 0.77 0.00 0.00 66.41 65.76 1s46 h THR 592 Cb 0.32 1.87 0.00 0.00 -1.74 0.00 0.00 68.15 68.60 1s46 h THR 592 CO -0.00 0.46 0.00 0.18 0.37 0.00 0.00 175.52 176.53 1s46 n LEU 593 N -3.97 2.50 -0.19 2.58 4.77 -1.04 -4.59 117.00 117.07 1s46 n LEU 593 Ca -0.02 -1.22 0.13 0.00 -0.03 0.00 0.00 56.01 54.88 1s46 n LEU 593 Cb 0.49 -0.29 0.46 0.00 -2.33 0.00 0.00 43.42 41.75 1s46 n LEU 593 CO 0.40 0.61 1.21 1.56 -1.33 0.00 0.00 177.39 179.84 1s46 h GLN 594 N 2.83 0.51 0.00 3.23 4.20 -1.52 -2.27 115.11 122.09 1s46 h GLN 594 Ca 0.00 -0.03 0.00 0.00 0.06 0.00 0.00 58.65 58.68 1s46 h GLN 594 Cb 0.64 -0.11 0.00 0.00 0.30 0.00 0.00 27.48 28.31 1s46 h GLN 594 CO 0.00 0.34 0.00 0.00 -0.67 0.00 0.00 178.83 178.50 1s46 h ALA 595 N 1.63 1.00 -2.24 3.87 0.00 -1.88 -3.46 119.26 118.18 1s46 h ALA 595 Ca 0.38 0.00 -0.48 0.00 0.00 0.00 0.00 54.91 54.81 1s46 h ALA 595 Cb 0.75 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.53 1s46 h ALA 595 CO -0.14 0.00 0.22 -1.64 0.00 0.00 0.00 179.25 177.69 1s46 s MET 596 N -3.14 3.96 0.74 0.00 -1.94 -0.86 -5.05 119.30 113.00 1s46 s MET 596 Ca 0.09 0.77 -0.14 0.00 -1.71 0.00 0.00 55.69 54.70 1s46 s MET 596 Cb 0.11 -2.29 0.04 0.00 2.01 0.00 0.00 34.83 34.70 1s46 s MET 596 CO 0.59 -0.05 1.16 -1.25 -0.01 0.00 0.00 175.02 175.46 1s46 s PRO 597 N -3.57 2.21 0.25 2.03 0.04 -1.26 -4.94 135.00 129.75 1s46 s PRO 597 Ca 0.56 1.55 -0.04 0.00 0.04 0.00 0.00 61.00 63.11 1s46 s PRO 597 Cb -0.10 -1.86 0.47 0.00 0.04 0.00 0.00 34.50 33.05 1s46 s PRO 597 CO 0.25 -1.74 1.71 0.74 0.04 0.00 0.00 177.00 178.00 1s46 h PHE 598 N -0.49 0.42 -4.17 0.56 -1.00 -1.95 -3.40 116.94 106.91 1s46 h PHE 598 Ca -0.46 0.04 -0.50 0.00 2.81 0.00 0.00 57.97 59.86 1s46 h PHE 598 Cb 1.27 -0.07 -0.27 0.00 3.61 0.00 0.00 35.95 40.48 1s46 h PHE 598 CO 0.51 -0.00 -0.82 0.15 -1.61 0.00 0.00 178.31 176.54 1s46 s LYS 599 N -6.02 1.17 -0.05 1.51 1.02 -1.26 -0.84 119.74 115.26 1s46 s LYS 599 Ca -0.12 -0.68 -0.04 0.00 0.02 0.00 0.00 55.97 55.15 1s46 s LYS 599 Cb 0.21 -1.17 0.02 0.00 -0.52 0.00 0.00 37.83 36.37 1s46 s LYS 599 CO 0.76 0.31 0.13 0.00 -0.92 0.00 0.00 175.35 175.63 1s46 s ALA 600 N -0.58 -0.27 -0.06 5.17 0.00 -0.32 -4.96 121.76 120.73 1s46 s ALA 600 Ca 0.05 0.45 -0.28 0.00 0.00 0.00 0.00 51.96 52.18 1s46 s ALA 600 Cb -0.07 -0.28 -0.02 0.00 0.00 0.00 0.00 23.12 22.74 1s46 s ALA 600 CO 0.00 -0.09 0.92 -1.58 0.00 0.00 0.00 175.76 175.02 1s46 s HIS 601 N 0.46 3.58 -0.25 0.00 2.46 -1.26 -0.92 115.29 119.35 1s46 s HIS 601 Ca -0.03 1.54 -0.17 0.00 0.47 0.00 0.00 55.06 56.87 1s46 s HIS 601 Cb -0.05 -3.08 -0.03 0.00 -0.13 0.00 0.00 32.58 29.30 1s46 s HIS 601 CO -0.02 -0.08 0.49 0.34 -2.47 0.00 0.00 174.74 173.00 1s46 s ASP 602 N 1.02 6.43 0.31 9.88 2.15 -0.70 -1.68 116.67 134.07 1s46 s ASP 602 Ca 0.47 0.51 0.26 0.00 0.43 0.00 0.00 52.55 54.22 1s46 s ASP 602 Cb -0.19 -2.27 0.81 0.00 -0.30 0.00 0.00 42.92 40.97 1s46 s ASP 602 CO 0.22 -0.25 1.75 -0.07 -0.17 0.00 0.00 175.17 176.65 1s46 h LEU 603 N 8.61 0.00 0.00 -1.34 3.38 -1.43 -0.94 115.31 123.59 1s46 h LEU 603 Ca -0.30 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.66 1s46 h LEU 603 Cb 1.15 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.89 1s46 h LEU 603 CO 0.71 0.00 -0.16 0.40 0.09 0.00 0.00 178.44 179.47 1s46 h ILE 604 N 0.00 0.11 0.00 1.22 1.08 -1.87 -3.40 117.51 114.65 1s46 h ILE 604 Ca 0.00 -1.10 -0.17 0.00 -0.39 0.00 0.00 64.86 63.21 1s46 h ILE 604 Cb 0.69 0.23 -0.03 0.00 -3.07 0.00 0.00 36.82 34.64 1s46 h ILE 604 CO 0.00 0.04 -1.02 1.23 -0.69 0.00 0.00 178.15 177.71 1s46 h GLY 605 N -1.00 0.00 0.00 5.37 0.00 -1.86 -3.49 103.07 102.10 1s46 h GLY 605 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.32 1s46 h GLY 605 CO -0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.15 1s46 n GLY 606 N 1.34 0.96 3.89 4.60 0.00 -0.36 -5.06 105.19 110.57 1s46 n GLY 606 Ca -0.04 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.69 1s46 n GLY 606 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1s46 s LYS 607 N -0.59 3.64 -0.35 1.61 -0.14 -1.25 -4.80 119.74 117.86 1s46 s LYS 607 Ca 0.00 0.29 -0.18 0.00 -1.36 0.00 0.00 55.97 54.72 1s46 s LYS 607 Cb 0.00 -2.41 -0.01 0.00 -1.68 0.00 0.00 37.83 33.74 1s46 s LYS 607 CO 0.00 -0.10 0.49 0.99 -0.76 0.00 0.00 175.35 175.97 1s46 s THR 608 N -2.54 5.04 -0.15 2.17 2.01 -1.26 -1.72 115.64 119.18 1s46 s THR 608 Ca 0.49 0.32 -0.08 0.00 0.31 0.00 0.00 61.69 62.72 1s46 s THR 608 Cb -0.10 -3.94 -0.04 0.00 0.01 0.00 0.00 72.50 68.42 1s46 s THR 608 CO 0.38 -0.19 0.14 -0.69 -0.69 0.00 0.00 174.62 173.57 1s46 s VAL 609 N 2.34 5.47 -0.18 3.82 1.01 -0.10 -4.94 120.40 127.82 1s46 s VAL 609 Ca 0.18 0.21 -0.21 0.00 0.00 0.00 0.00 61.98 62.15 1s46 s VAL 609 Cb -0.16 -3.43 -0.03 0.00 0.00 0.00 0.00 36.38 32.77 1s46 s VAL 609 CO 0.13 0.54 0.65 -0.44 0.00 0.00 0.00 175.10 175.98 1s46 s SER 610 N -0.45 6.74 0.00 3.32 0.01 -1.26 -1.18 113.70 120.88 1s46 s SER 610 Ca 0.12 0.90 0.20 0.00 1.31 0.00 0.00 55.95 58.48 1s46 s SER 610 Cb -0.12 -2.36 0.40 0.00 0.21 0.00 0.00 66.02 64.16 1s46 s SER 610 CO 0.02 -0.26 1.34 0.18 0.41 0.00 0.00 173.24 174.93 1s46 n LEU 611 N 4.89 3.32 -0.48 2.44 4.77 -0.02 -4.30 117.00 127.62 1s46 n LEU 611 Ca -0.01 -1.60 0.14 0.00 -0.03 0.00 0.00 56.01 54.51 1s46 n LEU 611 Cb 0.50 -0.26 0.49 0.00 -2.33 0.00 0.00 43.42 41.82 1s46 n LEU 611 CO 0.45 0.74 0.83 -0.46 -1.33 0.00 0.00 177.39 177.62 1s46 n ASN 612 N 1.29 1.53 -4.15 -1.43 6.94 -1.25 -4.67 115.26 113.53 1s46 n ASN 612 Ca 0.18 -1.46 -0.19 0.00 -0.02 0.00 0.00 54.58 53.08 1s46 n ASN 612 Cb 0.55 0.02 -0.10 0.00 -2.36 0.00 0.00 39.78 37.89 1s46 n ASN 612 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1s46 s GLN 613 N -2.05 1.56 0.18 -3.83 -2.07 -1.26 -4.91 119.66 107.28 1s46 s GLN 613 Ca 0.36 -1.88 -0.32 0.00 -1.82 0.00 0.00 55.36 51.69 1s46 s GLN 613 Cb 0.21 -0.26 -0.12 0.00 -1.09 0.00 0.00 33.01 31.75 1s46 s GLN 613 CO 0.35 -0.38 1.72 -0.25 -1.32 0.00 0.00 175.29 175.41 1s46 n ASP 614 N -0.78 3.86 -4.42 12.60 9.92 -1.26 -4.27 116.55 132.19 1s46 n ASP 614 Ca -0.00 1.05 -0.41 0.00 -0.53 0.00 0.00 54.79 54.90 1s46 n ASP 614 Cb 0.65 -1.54 -0.11 0.00 -0.64 0.00 0.00 41.12 39.48 1s46 n ASP 614 CO 0.00 0.00 0.00 -0.22 0.13 0.00 0.00 177.20 177.11 1s46 s LEU 615 N 1.42 4.82 -0.34 0.64 2.96 -0.33 -4.94 118.68 122.90 1s46 s LEU 615 Ca 0.77 -0.89 -0.12 0.00 -0.22 0.00 0.00 54.13 53.67 1s46 s LEU 615 Cb -0.53 -2.08 -0.01 0.00 0.50 0.00 0.00 46.19 44.07 1s46 s LEU 615 CO 0.34 -0.39 0.22 -0.89 -1.32 0.00 0.00 176.35 174.32 1s46 s THR 616 N 1.62 5.09 -0.05 3.68 2.01 -1.26 -0.71 115.64 126.02 1s46 s THR 616 Ca 0.04 -0.32 -0.18 0.00 0.31 0.00 0.00 61.69 61.53 1s46 s THR 616 Cb -0.19 -3.64 -0.05 0.00 0.01 0.00 0.00 72.50 68.63 1s46 s THR 616 CO 0.08 -0.02 0.49 -0.76 -0.69 0.00 0.00 174.62 173.72 1s46 s LEU 617 N 1.69 4.38 0.79 4.42 1.43 0.89 -4.95 118.68 127.33 1s46 s LEU 617 Ca 0.05 0.96 -0.11 0.00 -1.03 0.00 0.00 54.13 54.00 1s46 s LEU 617 Cb -0.17 -2.72 0.07 0.00 0.03 0.00 0.00 46.19 43.39 1s46 s LEU 617 CO 0.09 0.13 1.09 -1.10 0.23 0.00 0.00 176.35 176.79 1s46 s GLN 618 N -0.14 2.13 -0.29 1.70 -1.52 -1.26 -1.43 119.66 118.85 1s46 s GLN 618 Ca 0.26 0.73 -0.38 0.00 -1.95 0.00 0.00 55.36 54.02 1s46 s GLN 618 Cb -0.16 -1.92 -0.14 0.00 -0.22 0.00 0.00 33.01 30.57 1s46 s GLN 618 CO 0.13 -1.61 1.91 -2.30 -0.25 0.00 0.00 175.29 173.17 1s46 n PRO 619 N -3.44 1.20 -2.29 2.91 -0.02 -1.26 -1.62 135.00 130.48 1s46 n PRO 619 Ca 0.07 0.41 -0.19 0.00 -2.02 0.00 0.00 63.50 61.78 1s46 n PRO 619 Cb 0.56 -2.24 -0.02 0.00 -0.02 0.00 0.00 33.50 31.78 1s46 n PRO 619 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 1s46 n TYR 620 N 6.90 -0.81 -2.66 6.00 4.01 -1.11 -4.99 117.16 124.49 1s46 n TYR 620 Ca 0.32 0.00 -0.40 0.00 -0.16 0.00 0.00 57.90 57.65 1s46 n TYR 620 Cb 0.17 -3.64 -0.05 0.00 -0.31 0.00 0.00 39.34 35.51 1s46 n TYR 620 CO 0.00 0.00 0.00 -1.14 -0.46 0.00 0.00 176.86 175.26 1s46 s GLN 621 N -4.82 4.79 -0.07 -0.72 0.74 -0.64 -4.68 119.66 114.26 1s46 s GLN 621 Ca 0.00 1.59 0.03 0.00 0.05 0.00 0.00 55.36 57.03 1s46 s GLN 621 Cb 0.00 -3.25 -0.02 0.00 1.10 0.00 0.00 33.01 30.84 1s46 s GLN 621 CO 0.00 0.42 -0.15 0.08 -0.55 0.00 0.00 175.29 175.10 1s46 s VAL 622 N -1.18 3.00 -0.06 1.34 1.01 -1.26 -1.91 120.40 121.33 1s46 s VAL 622 Ca 0.42 -0.73 0.00 0.00 0.00 0.00 0.00 61.98 61.67 1s46 s VAL 622 Cb -0.28 -2.19 0.02 0.00 0.00 0.00 0.00 36.38 33.93 1s46 s VAL 622 CO 0.35 0.57 -0.05 -0.04 0.00 0.00 0.00 175.10 175.93 1s46 s MET 623 N -0.45 0.99 -0.55 2.72 -1.94 -0.35 -4.75 119.30 114.97 1s46 s MET 623 Ca 0.06 -0.12 -0.00 0.00 -1.71 0.00 0.00 55.69 53.92 1s46 s MET 623 Cb -0.12 -1.06 0.14 0.00 2.01 0.00 0.00 34.83 35.80 1s46 s MET 623 CO 0.02 -0.15 0.34 -1.58 -0.01 0.00 0.00 175.02 173.64 1s46 s TRP 624 N 1.26 3.38 -0.09 -0.03 0.51 -1.26 -0.77 118.94 121.94 1s46 s TRP 624 Ca -0.05 -2.85 -0.22 0.00 -2.12 0.00 0.00 56.10 50.86 1s46 s TRP 624 Cb -0.14 -3.07 -0.04 0.00 -0.81 0.00 0.00 33.47 29.42 1s46 s TRP 624 CO -0.02 -0.83 0.62 -0.51 -0.51 0.00 0.00 176.95 175.70 1s46 s LEU 625 N 0.04 4.30 -0.63 2.99 1.43 0.38 -1.09 118.68 126.10 1s46 s LEU 625 Ca 0.16 1.05 -0.23 0.00 -1.03 0.00 0.00 54.13 54.07 1s46 s LEU 625 Cb -0.22 -2.94 0.06 0.00 0.03 0.00 0.00 46.19 43.11 1s46 s LEU 625 CO -0.03 -0.08 0.97 -1.61 0.23 0.00 0.00 176.35 175.83 1s46 s GLU 626 N 0.78 3.18 0.00 1.70 2.02 -0.68 -0.20 118.70 125.50 1s46 s GLU 626 Ca 0.33 -0.64 0.25 0.00 0.02 0.00 0.00 54.97 54.94 1s46 s GLU 626 Cb -0.17 -4.17 0.53 0.00 0.10 0.00 0.00 34.13 30.42 1s46 s GLU 626 CO 0.15 -1.73 1.45 0.44 0.02 0.00 0.00 175.26 175.59 1s46 n ILE 627 N 6.02 0.02 -1.15 -1.63 -5.35 -0.36 -4.12 119.36 112.79 1s46 n ILE 627 Ca -0.02 -0.41 0.00 0.00 -0.27 0.00 0.00 62.75 62.05 1s46 n ILE 627 Cb 0.46 1.09 0.00 0.00 -1.74 0.00 0.00 39.64 39.45 1s46 n ILE 627 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79