#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1s76 s ASP 13 N 0.00 0.86 0.35 4.04 1.01 -1.26 -5.16 116.67 116.51 1s76 s ASP 13 Ca 0.00 0.13 0.08 0.00 0.71 0.00 0.00 52.55 53.47 1s76 s ASP 13 Cb 0.00 -0.05 -0.04 0.00 1.01 0.00 0.00 42.92 43.84 1s76 s ASP 13 CO 0.00 -0.23 0.17 0.27 0.21 0.00 0.00 175.17 175.59 1s76 s ILE 14 N 1.99 3.05 -0.88 0.77 -4.36 -1.26 -5.00 121.20 115.50 1s76 s ILE 14 Ca 0.02 -1.64 -0.18 0.00 -0.26 0.00 0.00 60.65 58.59 1s76 s ILE 14 Cb -0.12 -3.01 -0.23 0.00 1.25 0.00 0.00 42.46 40.35 1s76 s ILE 14 CO -0.04 -0.17 2.30 -0.62 0.24 0.00 0.00 174.94 176.66 1s76 n GLU 15 N -1.20 0.30 0.00 0.37 4.71 -1.26 -2.83 120.64 120.74 1s76 n GLU 15 Ca -0.03 -0.42 0.00 0.00 -0.01 0.00 0.00 57.16 56.71 1s76 n GLU 15 Cb 0.61 -2.40 0.00 0.00 -1.01 0.00 0.00 31.44 28.64 1s76 n GLU 15 CO 0.00 0.00 0.00 -0.11 0.09 0.00 0.00 177.13 177.11 1s76 n LEU 16 N 12.41 0.00 -4.56 -4.62 7.94 -1.26 -5.06 117.00 121.85 1s76 n LEU 16 Ca 0.57 0.00 -0.24 0.00 -1.11 0.00 0.00 56.01 55.23 1s76 n LEU 16 Cb 0.29 0.00 -0.05 0.00 0.53 0.00 0.00 43.42 44.19 1s76 n LEU 16 CO 0.81 0.00 1.33 0.00 -1.11 0.00 0.00 177.39 178.42 1s76 s ALA 17 N -0.10 1.45 -0.02 1.96 0.00 -1.13 -4.53 121.76 119.39 1s76 s ALA 17 Ca 0.00 -1.30 0.03 0.00 0.00 0.00 0.00 51.96 50.69 1s76 s ALA 17 Cb 0.00 -4.55 -0.05 0.00 0.00 0.00 0.00 23.12 18.52 1s76 s ALA 17 CO 0.00 -5.04 0.04 0.00 0.00 0.00 0.00 175.76 170.76 1s76 n ALA 18 N 15.04 2.01 -3.62 0.00 0.00 -1.26 -4.92 120.51 127.75 1s76 n ALA 18 Ca 0.41 -0.17 -0.39 0.00 0.00 0.00 0.00 53.44 53.29 1s76 n ALA 18 Cb 0.46 0.05 -0.09 0.00 0.00 0.00 0.00 19.45 19.87 1s76 n ALA 18 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 177.50 176.00 1s76 s ILE 19 N -2.16 3.97 0.90 0.00 1.10 -1.26 -5.01 121.20 118.75 1s76 s ILE 19 Ca -0.02 -2.06 -0.11 0.00 -0.51 0.00 0.00 60.65 57.96 1s76 s ILE 19 Cb 0.02 -3.63 0.13 0.00 0.15 0.00 0.00 42.46 39.13 1s76 s ILE 19 CO 0.15 -0.78 0.24 -2.65 -2.11 0.00 0.00 174.94 169.78 1s76 n PRO 20 N 4.58 -1.81 0.00 3.50 -0.02 -1.26 -3.34 135.00 136.65 1s76 n PRO 20 Ca -0.03 -0.54 0.00 0.00 -2.02 0.00 0.00 63.50 60.91 1s76 n PRO 20 Cb 0.41 -1.36 0.00 0.00 -0.02 0.00 0.00 33.50 32.52 1s76 n PRO 20 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 1s76 n PHE 21 N -4.11 0.00 -0.27 6.00 7.35 -1.26 -4.03 117.46 121.15 1s76 n PHE 21 Ca 0.05 0.00 -0.07 0.00 -0.76 0.00 0.00 57.45 56.67 1s76 n PHE 21 Cb 0.28 0.00 0.05 0.00 0.35 0.00 0.00 39.48 40.16 1s76 n PHE 21 CO 0.00 0.00 0.00 -0.91 -0.76 0.00 0.00 176.76 175.09 1s76 h ASN 22 N 0.00 1.06 -0.15 -2.13 2.35 -1.99 0.83 115.58 115.55 1s76 h ASN 22 Ca 0.00 -0.20 -0.15 0.00 -0.55 0.00 0.00 56.30 55.40 1s76 h ASN 22 Cb 0.00 -0.28 0.00 0.00 0.05 0.00 0.00 38.32 38.10 1s76 h ASN 22 CO 0.00 0.98 -0.50 0.74 -1.65 0.00 0.00 177.43 177.00 1s76 h THR 23 N 1.08 1.34 0.19 2.81 2.02 -1.69 -2.74 112.91 115.92 1s76 h THR 23 Ca 0.24 -1.77 -0.01 0.00 0.77 0.00 0.00 66.41 65.64 1s76 h THR 23 Cb 0.29 2.03 0.00 0.00 -1.74 0.00 0.00 68.15 68.73 1s76 h THR 23 CO -0.01 0.54 -0.09 -0.07 0.37 0.00 0.00 175.52 176.26 1s76 h LEU 24 N 0.25 -0.22 0.39 2.58 3.38 -1.84 -3.13 115.31 116.72 1s76 h LEU 24 Ca -0.02 -0.22 -0.01 0.00 0.09 0.00 0.00 57.88 57.72 1s76 h LEU 24 Cb 1.12 0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.92 1s76 h LEU 24 CO 0.11 0.12 -0.27 0.00 0.09 0.00 0.00 178.44 178.49 1s76 h ALA 25 N 0.15 -0.64 0.00 1.53 0.00 -0.95 2.60 119.26 121.95 1s76 h ALA 25 Ca -0.03 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.77 1s76 h ALA 25 Cb 0.43 0.35 0.00 0.00 0.00 0.00 0.00 17.79 18.57 1s76 h ALA 25 CO 0.04 -0.88 0.00 -0.40 0.00 0.00 0.00 179.25 178.01 1s76 n ASP 26 N -5.40 0.42 0.00 0.00 5.75 -1.03 0.12 116.55 116.41 1s76 n ASP 26 Ca -0.10 -1.14 0.00 0.00 -0.01 0.00 0.00 54.79 53.54 1s76 n ASP 26 Cb 0.30 -0.21 0.00 0.00 -1.03 0.00 0.00 41.12 40.18 1s76 n ASP 26 CO 0.00 0.00 0.00 1.57 -0.11 0.00 0.00 177.20 178.66 1s76 n HIS 27 N 0.03 0.00 -0.46 2.11 -0.00 -0.56 -4.91 115.22 111.44 1s76 n HIS 27 Ca 0.00 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.18 1s76 n HIS 27 Cb 0.10 0.01 0.00 0.00 -0.12 0.00 0.00 29.99 29.99 1s76 n HIS 27 CO 0.00 0.00 0.00 0.66 0.46 0.00 0.00 176.34 177.46 1s76 n TYR 28 N -1.81 0.00 0.00 1.57 4.01 0.86 -5.07 117.16 116.73 1s76 n TYR 28 Ca 0.00 -0.21 0.00 0.00 -0.16 0.00 0.00 57.90 57.53 1s76 n TYR 28 Cb 0.14 -0.02 0.00 0.00 -0.31 0.00 0.00 39.34 39.15 1s76 n TYR 28 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1s76 n GLY 29 N -0.21 -0.98 0.00 2.72 0.00 0.32 -4.28 105.19 102.76 1s76 n GLY 29 Ca 0.00 -1.29 0.05 0.00 0.00 0.00 0.00 46.02 44.77 1s76 n GLY 29 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1s76 n GLU 30 N 0.36 0.03 0.06 1.61 0.28 -1.25 -1.19 120.64 120.54 1s76 n GLU 30 Ca 0.00 0.31 -0.18 0.00 -0.16 0.00 0.00 57.16 57.13 1s76 n GLU 30 Cb 0.00 -1.50 -0.09 0.00 1.43 0.00 0.00 31.44 31.28 1s76 n GLU 30 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 177.13 176.88 1s76 h ARG 31 N 0.00 0.56 0.00 3.44 1.12 -1.93 -2.44 114.38 115.12 1s76 h ARG 31 Ca 0.00 -0.64 -0.19 0.00 -1.11 0.00 0.00 59.98 58.04 1s76 h ARG 31 Cb 0.15 0.19 -0.03 0.00 -0.01 0.00 0.00 29.97 30.27 1s76 h ARG 31 CO 0.00 1.25 -1.42 -0.07 -3.11 0.00 0.00 179.97 176.62 1s76 h LEU 32 N 0.30 0.00 -0.49 3.80 3.38 -1.59 -3.07 115.31 117.64 1s76 h LEU 32 Ca -0.12 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.81 1s76 h LEU 32 Cb 1.71 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 42.44 1s76 h LEU 32 CO 0.20 0.66 0.18 0.00 0.09 0.00 0.00 178.44 179.57 1s76 h ALA 33 N 1.34 0.64 -0.10 1.53 0.00 -1.21 -0.59 119.26 120.87 1s76 h ALA 33 Ca -0.18 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 54.56 1s76 h ALA 33 Cb 1.66 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 19.26 1s76 h ALA 33 CO 0.05 0.27 0.01 0.00 0.00 0.00 0.00 179.25 179.59 1s76 h ARG 34 N 0.65 0.17 0.01 0.00 3.08 -1.54 -2.06 114.38 114.69 1s76 h ARG 34 Ca 0.16 -0.05 0.03 0.00 0.07 0.00 0.00 59.98 60.19 1s76 h ARG 34 Cb 0.23 -0.02 -0.04 0.00 0.08 0.00 0.00 29.97 30.22 1s76 h ARG 34 CO -0.01 0.38 -0.24 1.49 -1.07 0.00 0.00 179.97 180.52 1s76 h GLU 35 N -0.07 -0.37 -0.12 0.04 4.81 -1.42 0.94 114.58 118.39 1s76 h GLU 35 Ca 0.03 0.03 0.02 0.00 -0.13 0.00 0.00 59.36 59.31 1s76 h GLU 35 Cb 0.30 0.08 -0.04 0.00 0.63 0.00 0.00 28.75 29.72 1s76 h GLU 35 CO 0.00 -0.25 -0.35 0.37 -0.73 0.00 0.00 179.01 178.06 1s76 h GLN 36 N -0.39 -0.34 -0.95 1.92 5.75 -1.05 0.32 115.11 120.38 1s76 h GLN 36 Ca 0.06 0.02 0.15 0.00 -0.15 0.00 0.00 58.65 58.73 1s76 h GLN 36 Cb 0.46 0.08 -0.08 0.00 1.07 0.00 0.00 27.48 29.01 1s76 h GLN 36 CO -0.21 -0.22 0.60 -0.07 -2.65 0.00 0.00 178.83 176.28 1s76 h LEU 37 N -0.35 0.76 -0.71 -2.39 -0.00 -1.09 0.12 115.31 111.64 1s76 h LEU 37 Ca 0.02 0.05 0.03 0.00 -0.00 0.00 0.00 57.88 57.99 1s76 h LEU 37 Cb 0.42 -0.09 -0.04 0.00 -0.00 0.00 0.00 40.66 40.94 1s76 h LEU 37 CO -0.29 0.37 0.45 0.00 -0.00 0.00 0.00 178.44 178.96 1s76 h ALA 38 N 1.59 0.93 0.06 1.53 0.00 0.28 -2.40 119.26 121.25 1s76 h ALA 38 Ca 0.49 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 55.37 1s76 h ALA 38 Cb 0.70 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.26 1s76 h ALA 38 CO -0.26 0.24 -0.03 -0.07 0.00 0.00 0.00 179.25 179.13 1s76 h LEU 39 N 0.89 -0.07 -0.53 0.00 3.38 0.21 -1.60 115.31 117.59 1s76 h LEU 39 Ca 0.28 -0.28 0.10 0.00 0.09 0.00 0.00 57.88 58.07 1s76 h LEU 39 Cb 0.00 0.02 -0.08 0.00 0.09 0.00 0.00 40.66 40.69 1s76 h LEU 39 CO -0.10 0.25 0.07 -0.33 0.09 0.00 0.00 178.44 178.41 1s76 h GLU 40 N -0.40 0.19 -0.64 1.13 5.08 -1.15 0.25 114.58 119.05 1s76 h GLU 40 Ca -0.01 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.34 1s76 h GLU 40 Cb 0.35 -0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.52 1s76 h GLU 40 CO 0.01 0.12 0.40 1.25 -1.00 0.00 0.00 179.01 179.80 1s76 h HIS 41 N 0.19 0.82 -0.36 4.33 2.76 -1.40 -1.73 115.15 119.76 1s76 h HIS 41 Ca 0.27 0.01 -0.13 0.00 -2.20 0.00 0.00 60.37 58.32 1s76 h HIS 41 Cb 0.39 -0.27 -0.01 0.00 1.55 0.00 0.00 27.41 29.07 1s76 h HIS 41 CO -0.27 0.53 -0.29 1.49 -1.30 0.00 0.00 177.93 178.09 1s76 h GLU 42 N 0.87 0.82 -0.84 5.26 4.81 0.15 0.26 114.58 125.91 1s76 h GLU 42 Ca 0.23 -0.41 0.13 0.00 -0.13 0.00 0.00 59.36 59.18 1s76 h GLU 42 Cb -0.06 0.00 -0.09 0.00 0.63 0.00 0.00 28.75 29.23 1s76 h GLU 42 CO -0.05 1.05 0.45 0.77 -0.73 0.00 0.00 179.01 180.50 1s76 h SER 43 N 0.61 0.58 -0.48 1.04 0.02 0.20 0.75 113.55 116.28 1s76 h SER 43 Ca 0.06 0.08 -0.10 0.00 -0.84 0.00 0.00 61.79 60.99 1s76 h SER 43 Cb 0.87 -0.02 -0.02 0.00 0.14 0.00 0.00 62.40 63.37 1s76 h SER 43 CO 0.08 0.27 -0.06 0.22 -1.14 0.00 0.00 176.83 176.20 1s76 h TYR 44 N 0.68 1.02 0.18 3.45 3.20 -0.98 -1.02 116.97 123.49 1s76 h TYR 44 Ca 0.44 -0.18 -0.01 0.00 3.14 0.00 0.00 58.73 62.12 1s76 h TYR 44 Cb 0.56 -0.26 0.00 0.00 1.54 0.00 0.00 36.73 38.57 1s76 h TYR 44 CO -0.08 0.95 -0.09 1.49 -1.64 0.00 0.00 178.16 178.79 1s76 h GLU 45 N 0.84 -0.23 -0.45 1.82 4.81 0.15 -2.49 114.58 119.03 1s76 h GLU 45 Ca 0.14 0.02 0.01 0.00 -0.13 0.00 0.00 59.36 59.40 1s76 h GLU 45 Cb 0.59 0.05 -0.02 0.00 0.63 0.00 0.00 28.75 30.00 1s76 h GLU 45 CO 0.04 0.08 0.30 0.52 -0.73 0.00 0.00 179.01 179.22 1s76 h MET 46 N -0.56 0.57 0.06 1.92 2.86 0.35 -0.47 114.93 119.66 1s76 h MET 46 Ca -0.02 -0.03 -0.00 0.00 -2.06 0.00 0.00 59.70 57.58 1s76 h MET 46 Cb 0.42 -0.13 -0.00 0.00 0.06 0.00 0.00 31.60 31.95 1s76 h MET 46 CO 0.04 0.38 -0.04 0.78 1.06 0.00 0.00 176.91 179.13 1s76 h GLY 47 N 0.59 -0.46 -0.13 8.32 0.00 -1.09 0.12 103.07 110.42 1s76 h GLY 47 Ca 0.17 0.20 0.27 0.00 0.00 0.00 0.00 47.33 47.97 1s76 h GLY 47 CO -0.04 -0.17 0.68 0.83 0.00 0.00 0.00 176.54 177.84 1s76 h GLU 48 N -0.10 0.34 0.42 4.80 5.08 -1.29 0.23 114.58 124.05 1s76 h GLU 48 Ca -0.01 -0.02 -0.02 0.00 -1.00 0.00 0.00 59.36 58.31 1s76 h GLU 48 Cb 0.08 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.26 1s76 h GLU 48 CO 0.01 0.22 -0.20 0.00 -1.00 0.00 0.00 179.01 178.04 1s76 h ALA 49 N 1.60 -0.56 -0.32 3.43 0.00 -0.73 0.24 119.26 122.92 1s76 h ALA 49 Ca 0.58 -0.13 0.07 0.00 0.00 0.00 0.00 54.91 55.43 1s76 h ALA 49 Cb 1.57 0.22 -0.02 0.00 0.00 0.00 0.00 17.79 19.56 1s76 h ALA 49 CO -0.26 -0.80 0.22 0.07 0.00 0.00 0.00 179.25 178.49 1s76 h ARG 50 N -0.60 0.13 0.15 0.00 -0.00 0.21 -1.26 114.38 113.00 1s76 h ARG 50 Ca -0.06 -0.01 -0.01 0.00 -0.00 0.00 0.00 59.98 59.91 1s76 h ARG 50 Cb 0.45 -0.03 0.00 0.00 -0.00 0.00 0.00 29.97 30.39 1s76 h ARG 50 CO 0.09 0.08 -0.07 0.35 -0.00 0.00 0.00 179.97 180.43 1s76 h PHE 51 N 0.13 -0.18 -0.97 4.08 3.57 -0.13 -3.11 116.94 120.34 1s76 h PHE 51 Ca 0.15 -0.00 0.12 0.00 3.53 0.00 0.00 57.97 61.77 1s76 h PHE 51 Cb 0.42 0.06 -0.14 0.00 2.79 0.00 0.00 35.95 39.08 1s76 h PHE 51 CO -0.00 -0.11 -0.48 0.00 -2.23 0.00 0.00 178.31 175.49 1s76 h ARG 52 N -0.30 -0.02 -0.90 1.11 2.47 -0.20 0.52 114.38 117.06 1s76 h ARG 52 Ca -0.02 0.00 0.25 0.00 -1.26 0.00 0.00 59.98 58.95 1s76 h ARG 52 Cb 0.15 0.00 -0.16 0.00 -1.65 0.00 0.00 29.97 28.32 1s76 h ARG 52 CO 0.03 -0.01 0.15 -0.22 0.56 0.00 0.00 179.97 180.48 1s76 h LYS 53 N -0.02 0.11 0.13 0.04 3.64 -1.35 0.48 116.57 119.61 1s76 h LYS 53 Ca 0.26 -0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.62 1s76 h LYS 53 Cb 0.52 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.31 1s76 h LYS 53 CO -0.95 0.08 -0.06 1.98 -2.27 0.00 0.00 179.45 178.22 1s76 h MET 54 N 0.12 -0.17 0.00 1.90 4.05 -0.02 -1.73 114.93 119.07 1s76 h MET 54 Ca 0.56 0.01 0.00 0.00 -0.28 0.00 0.00 59.70 60.00 1s76 h MET 54 Cb 1.16 0.04 0.00 0.00 -0.80 0.00 0.00 31.60 32.00 1s76 h MET 54 CO -0.75 0.29 0.29 0.34 0.23 0.00 0.00 176.91 177.31 1s76 n PHE 55 N -4.89 0.46 -0.11 1.39 -0.00 0.27 -0.84 117.46 113.72 1s76 n PHE 55 Ca -0.08 0.24 -0.25 0.00 -0.00 0.00 0.00 57.45 57.36 1s76 n PHE 55 Cb 0.27 -0.69 -0.11 0.00 -0.00 0.00 0.00 39.48 38.95 1s76 n PHE 55 CO 0.00 0.00 0.00 0.39 -0.00 0.00 0.00 176.76 177.15 1s76 n GLU 56 N -2.06 0.59 0.27 -4.13 1.02 0.07 -3.00 120.64 113.39 1s76 n GLU 56 Ca -0.01 0.42 0.17 0.00 -0.02 0.00 0.00 57.16 57.72 1s76 n GLU 56 Cb 0.31 -1.63 0.92 0.00 -0.02 0.00 0.00 31.44 31.02 1s76 n GLU 56 CO 0.00 0.00 0.00 0.07 1.18 0.00 0.00 177.13 178.38 1s76 h ARG 57 N -0.89 0.00 0.09 3.49 -0.00 -0.04 0.54 114.38 117.56 1s76 h ARG 57 Ca -0.51 0.00 -0.30 0.00 -0.00 0.00 0.00 59.98 59.17 1s76 h ARG 57 Cb 1.50 0.00 -0.02 0.00 -0.00 0.00 0.00 29.97 31.45 1s76 h ARG 57 CO -0.27 0.00 -1.60 1.96 -0.00 0.00 0.00 179.97 180.05 1s76 h GLN 58 N 0.00 0.18 0.04 0.08 4.20 -1.35 -3.22 115.11 115.03 1s76 h GLN 58 Ca 0.04 -0.31 -0.00 0.00 0.06 0.00 0.00 58.65 58.44 1s76 h GLN 58 Cb 0.27 0.11 0.00 0.00 0.30 0.00 0.00 27.48 28.16 1s76 h GLN 58 CO -0.00 0.99 -0.02 1.25 -0.67 0.00 0.00 178.83 180.38 1s76 h LEU 59 N 0.05 -0.04 -2.30 1.46 5.85 -0.80 -0.50 115.31 119.02 1s76 h LEU 59 Ca -0.26 -0.34 -0.01 0.00 0.84 0.00 0.00 57.88 58.10 1s76 h LEU 59 Cb 2.00 0.01 -0.01 0.00 0.37 0.00 0.00 40.66 43.03 1s76 h LEU 59 CO 0.13 0.32 0.02 0.29 -0.34 0.00 0.00 178.44 178.86 1s76 n LYS 60 N -4.94 1.03 -0.72 1.25 5.02 0.17 -2.69 118.16 117.28 1s76 n LYS 60 Ca -0.08 -0.08 -0.02 0.00 -2.02 0.00 0.00 58.31 56.11 1s76 n LYS 60 Cb 0.20 -1.03 -0.02 0.00 -0.02 0.00 0.00 35.03 34.16 1s76 n LYS 60 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1s76 n ALA 61 N 0.71 2.56 -3.76 7.82 0.00 -0.99 -4.95 120.51 121.90 1s76 n ALA 61 Ca 0.02 -0.49 -0.27 0.00 0.00 0.00 0.00 53.44 52.69 1s76 n ALA 61 Cb 0.52 -0.21 0.01 0.00 0.00 0.00 0.00 19.45 19.77 1s76 n ALA 61 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1s76 n GLY 62 N 0.04 -1.08 0.80 0.00 0.00 -1.01 -4.88 105.19 99.05 1s76 n GLY 62 Ca -0.08 0.70 -0.02 0.00 0.00 0.00 0.00 46.02 46.62 1s76 n GLY 62 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1s76 n GLU 63 N -2.26 0.00 -0.31 1.61 1.02 -0.23 -4.90 120.64 115.57 1s76 n GLU 63 Ca -0.29 -0.73 0.02 0.00 -0.02 0.00 0.00 57.16 56.14 1s76 n GLU 63 Cb 0.70 0.12 0.21 0.00 -0.02 0.00 0.00 31.44 32.44 1s76 n GLU 63 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 1s76 h VAL 64 N 5.50 1.13 -0.22 2.62 2.07 -1.89 -0.22 116.25 125.24 1s76 h VAL 64 Ca -0.23 -0.38 0.06 0.00 0.82 0.00 0.00 66.70 66.97 1s76 h VAL 64 Cb 1.31 -0.08 -0.01 0.00 -1.52 0.00 0.00 31.29 30.99 1s76 h VAL 64 CO -0.09 0.20 0.24 0.00 0.02 0.00 0.00 177.57 177.93 1s76 h ALA 65 N 1.48 1.87 0.01 1.67 0.00 -1.92 -0.02 119.26 122.36 1s76 h ALA 65 Ca 0.37 -0.01 -0.20 0.00 0.00 0.00 0.00 54.91 55.07 1s76 h ALA 65 Cb 0.07 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 1s76 h ALA 65 CO -0.12 -0.35 -0.96 -0.44 0.00 0.00 0.00 179.25 177.38 1s76 h ASP 66 N 0.00 0.06 -3.59 0.00 3.32 -1.43 -3.41 116.42 111.36 1s76 h ASP 66 Ca 0.10 -0.05 -0.52 0.00 0.02 0.00 0.00 57.03 56.58 1s76 h ASP 66 Cb 0.57 -0.02 0.05 0.00 0.22 0.00 0.00 39.33 40.16 1s76 h ASP 66 CO -0.00 0.98 0.68 0.21 -1.72 0.00 0.00 179.24 179.39 1s76 s ASN 67 N -6.78 6.77 0.62 6.45 2.47 -0.02 -4.88 114.94 119.57 1s76 s ASN 67 Ca -0.00 2.60 0.31 0.00 0.42 0.00 0.00 52.86 56.19 1s76 s ASN 67 Cb 0.10 -2.63 1.68 0.00 -1.45 0.00 0.00 41.25 38.95 1s76 s ASN 67 CO 0.82 -0.58 2.02 0.00 -3.72 0.00 0.00 177.10 175.63 1s76 h ALA 68 N 4.42 1.65 0.00 1.71 0.00 -1.88 -1.63 119.26 123.54 1s76 h ALA 68 Ca -0.47 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.41 1s76 h ALA 68 Cb 1.22 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 19.02 1s76 h ALA 68 CO 0.72 -0.38 -0.11 0.00 0.00 0.00 0.00 179.25 179.48 1s76 h ALA 69 N 1.57 1.40 0.05 0.00 0.00 -1.88 -3.04 119.26 117.36 1s76 h ALA 69 Ca 0.08 -0.10 -0.36 0.00 0.00 0.00 0.00 54.91 54.53 1s76 h ALA 69 Cb 0.66 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.39 1s76 h ALA 69 CO -0.00 0.14 -2.09 0.00 0.00 0.00 0.00 179.25 177.30 1s76 n ALA 70 N -2.33 1.22 -0.35 0.00 0.00 -0.62 -4.44 120.51 114.00 1s76 n ALA 70 Ca -0.02 -0.84 0.14 0.00 0.00 0.00 0.00 53.44 52.73 1s76 n ALA 70 Cb 0.22 -0.53 0.29 0.00 0.00 0.00 0.00 19.45 19.42 1s76 n ALA 70 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1s76 n LYS 71 N -3.25 -0.08 0.28 0.00 5.02 -1.15 0.13 118.16 119.11 1s76 n LYS 71 Ca -0.32 1.50 0.17 0.00 -2.02 0.00 0.00 58.31 57.64 1s76 n LYS 71 Cb 1.05 -2.37 0.94 0.00 -0.02 0.00 0.00 35.03 34.63 1s76 n LYS 71 CO 0.00 0.00 0.00 -1.00 -0.52 0.00 0.00 177.40 175.88 1s76 h PRO 72 N 0.00 0.00 0.00 1.97 0.13 -1.78 -1.42 132.00 130.91 1s76 h PRO 72 Ca 0.60 0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 65.61 1s76 h PRO 72 Cb 1.22 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.33 1s76 h PRO 72 CO -0.94 0.00 -0.84 1.25 -0.23 0.00 0.00 178.00 177.23 1s76 h LEU 73 N 0.00 0.00 -0.77 1.56 5.85 0.74 -3.35 115.31 119.34 1s76 h LEU 73 Ca 0.03 -0.32 0.12 0.00 0.84 0.00 0.00 57.88 58.56 1s76 h LEU 73 Cb 0.22 0.00 -0.13 0.00 0.37 0.00 0.00 40.66 41.12 1s76 h LEU 73 CO -0.00 1.14 -0.37 0.40 -0.34 0.00 0.00 178.44 179.26 1s76 h ILE 74 N -1.00 0.09 -1.02 4.05 1.08 -0.79 0.60 117.51 120.51 1s76 h ILE 74 Ca -0.18 0.00 0.24 0.00 -0.39 0.00 0.00 64.86 64.53 1s76 h ILE 74 Cb 0.92 0.09 -0.10 0.00 -3.07 0.00 0.00 36.82 34.66 1s76 h ILE 74 CO -0.11 0.00 0.64 0.71 -0.69 0.00 0.00 178.15 178.70 1s76 h THR 75 N -0.10 0.57 0.00 -0.27 1.35 -1.46 0.59 112.91 113.59 1s76 h THR 75 Ca 0.27 -0.17 -0.16 0.00 -0.55 0.00 0.00 66.41 65.80 1s76 h THR 75 Cb 0.57 0.02 -0.02 0.00 -1.73 0.00 0.00 68.15 66.99 1s76 h THR 75 CO -0.82 0.09 -0.78 0.74 -0.25 0.00 0.00 175.52 174.50 1s76 h THR 76 N 0.50 1.39 0.00 6.82 2.02 0.02 -3.34 112.91 120.32 1s76 h THR 76 Ca 0.60 -2.83 0.00 0.00 0.77 0.00 0.00 66.41 64.94 1s76 h THR 76 Cb 1.32 2.60 0.00 0.00 -1.74 0.00 0.00 68.15 70.33 1s76 h THR 76 CO -0.35 0.76 -1.74 0.18 0.37 0.00 0.00 175.52 174.75 1s76 n LEU 77 N -3.37 0.24 0.04 2.58 4.77 -0.27 -4.34 117.00 116.65 1s76 n LEU 77 Ca 0.00 -0.12 -0.12 0.00 -0.03 0.00 0.00 56.01 55.74 1s76 n LEU 77 Cb 0.82 0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.84 1s76 n LEU 77 CO 0.44 0.06 0.81 0.25 -1.33 0.00 0.00 177.39 177.62 1s76 h LEU 78 N 0.00 -0.02 -0.24 2.23 5.85 -0.01 -2.17 115.31 120.95 1s76 h LEU 78 Ca 0.00 -0.10 -0.01 0.00 0.84 0.00 0.00 57.88 58.61 1s76 h LEU 78 Cb 0.86 0.01 -0.01 0.00 0.37 0.00 0.00 40.66 41.89 1s76 h LEU 78 CO 0.00 0.09 0.12 -0.65 -0.34 0.00 0.00 178.44 177.66 1s76 h PRO 79 N -0.13 0.34 -1.00 5.25 0.11 -1.79 -2.67 132.00 132.11 1s76 h PRO 79 Ca -0.00 -0.04 0.15 0.00 0.11 0.00 0.00 66.00 66.21 1s76 h PRO 79 Cb 0.12 -0.06 -0.09 0.00 0.11 0.00 0.00 31.00 31.08 1s76 h PRO 79 CO 0.00 0.32 0.62 0.87 -0.21 0.00 0.00 178.00 179.61 1s76 h LYS 80 N 0.26 0.87 0.59 1.05 1.57 -1.74 0.13 116.57 119.30 1s76 h LYS 80 Ca 0.08 -0.05 -0.03 0.00 -1.87 0.00 0.00 60.65 58.78 1s76 h LYS 80 Cb 0.09 -0.20 0.01 0.00 0.08 0.00 0.00 32.23 32.21 1s76 h LYS 80 CO -0.01 0.58 -0.28 0.52 -0.57 0.00 0.00 179.45 179.68 1s76 h MET 81 N 0.90 -0.76 0.00 3.15 2.86 -1.11 -1.81 114.93 118.16 1s76 h MET 81 Ca 0.52 0.05 0.00 0.00 -2.06 0.00 0.00 59.70 58.22 1s76 h MET 81 Cb 0.65 0.17 0.00 0.00 0.06 0.00 0.00 31.60 32.49 1s76 h MET 81 CO -0.30 -0.51 0.11 0.82 1.06 0.00 0.00 176.91 178.09 1s76 h ILE 82 N -0.81 0.00 -0.01 -1.22 2.04 -1.15 1.24 117.51 117.61 1s76 h ILE 82 Ca -0.08 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.78 1s76 h ILE 82 Cb 0.60 0.46 0.00 0.00 -0.74 0.00 0.00 36.82 37.14 1s76 h ILE 82 CO 0.13 0.00 -0.25 0.00 0.00 0.00 0.00 178.15 178.03 1s76 n ALA 83 N -1.73 3.08 -0.01 1.87 0.00 0.44 -3.28 120.51 120.88 1s76 n ALA 83 Ca -0.01 -0.43 0.01 0.00 0.00 0.00 0.00 53.44 53.00 1s76 n ALA 83 Cb 0.14 -1.10 -0.03 0.00 0.00 0.00 0.00 19.45 18.46 1s76 n ALA 83 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 1s76 n ARG 84 N -0.50 1.22 -0.03 0.00 3.00 0.38 -4.34 116.66 116.39 1s76 n ARG 84 Ca 0.12 -0.03 -0.13 0.00 -0.00 0.00 0.00 57.85 57.82 1s76 n ARG 84 Cb 0.36 -1.10 -0.08 0.00 0.00 0.00 0.00 32.46 31.64 1s76 n ARG 84 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.63 178.45 1s76 h ILE 85 N 0.00 1.32 0.14 5.15 1.08 -0.13 -2.82 117.51 122.26 1s76 h ILE 85 Ca -0.04 -1.04 -0.01 0.00 -0.39 0.00 0.00 64.86 63.38 1s76 h ILE 85 Cb 0.55 1.86 0.00 0.00 -3.07 0.00 0.00 36.82 36.16 1s76 h ILE 85 CO 0.00 0.29 -0.07 0.78 -0.69 0.00 0.00 178.15 178.46 1s76 h ASN 86 N -0.22 -0.16 -1.02 1.72 -0.26 -1.81 -2.90 115.58 110.94 1s76 h ASN 86 Ca 0.02 -0.22 0.27 0.00 -0.56 0.00 0.00 56.30 55.81 1s76 h ASN 86 Cb 0.48 0.04 -0.06 0.00 -1.06 0.00 0.00 38.32 37.71 1s76 h ASN 86 CO 0.01 0.14 0.70 0.44 -1.06 0.00 0.00 177.43 177.65 1s76 h ASP 87 N -0.46 0.23 0.15 5.81 5.19 -1.75 0.24 116.42 125.82 1s76 h ASP 87 Ca -0.02 0.04 -0.01 0.00 -0.62 0.00 0.00 57.03 56.42 1s76 h ASP 87 Cb 0.37 -0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.88 1s76 h ASP 87 CO 0.03 0.06 -0.07 -0.25 -3.12 0.00 0.00 179.24 175.89 1s76 h TRP 88 N 0.21 -0.19 0.00 4.55 7.01 -1.32 -2.43 115.95 123.77 1s76 h TRP 88 Ca 0.53 -0.00 0.00 0.00 2.11 0.00 0.00 58.89 61.52 1s76 h TRP 88 Cb 1.68 0.06 0.00 0.00 -2.10 0.00 0.00 29.16 28.80 1s76 h TRP 88 CO -0.00 0.13 0.00 1.19 -2.79 0.00 0.00 178.44 176.97 1s76 n PHE 89 N -5.04 0.00 -0.36 2.65 3.72 0.78 0.49 117.46 119.71 1s76 n PHE 89 Ca -0.09 0.00 0.29 0.00 -0.05 0.00 0.00 57.45 57.60 1s76 n PHE 89 Cb 0.21 -0.44 0.55 0.00 -0.94 0.00 0.00 39.48 38.86 1s76 n PHE 89 CO 0.00 0.00 0.00 0.93 -0.05 0.00 0.00 176.76 177.64 1s76 h GLU 90 N 0.00 0.19 -0.05 -1.08 5.08 -1.51 1.47 114.58 118.68 1s76 h GLU 90 Ca 0.00 -0.01 -0.12 0.00 -1.00 0.00 0.00 59.36 58.23 1s76 h GLU 90 Cb 0.00 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.19 1s76 h GLU 90 CO 0.00 0.13 -0.53 1.49 -1.00 0.00 0.00 179.01 179.10 1s76 h GLU 91 N 0.20 0.13 0.00 2.33 4.57 -0.66 -1.51 114.58 119.64 1s76 h GLU 91 Ca 0.77 -0.08 0.00 0.00 -1.18 0.00 0.00 59.36 58.87 1s76 h GLU 91 Cb 2.02 0.01 0.00 0.00 -0.16 0.00 0.00 28.75 30.61 1s76 h GLU 91 CO -0.57 0.63 0.00 0.28 -1.18 0.00 0.00 179.01 178.17 1s76 n VAL 92 N -3.92 0.69 0.04 0.32 0.31 0.49 -2.32 118.33 113.93 1s76 n VAL 92 Ca -0.02 0.00 -0.08 0.00 -0.01 0.00 0.00 64.34 64.23 1s76 n VAL 92 Cb 0.55 -0.87 -0.13 0.00 -0.91 0.00 0.00 33.84 32.49 1s76 n VAL 92 CO 0.00 0.00 0.00 0.11 -1.32 0.00 0.00 176.83 175.62 1s76 h LYS 93 N 0.00 0.03 0.00 5.55 1.57 -0.07 -3.22 116.57 120.43 1s76 h LYS 93 Ca 0.00 -0.05 -0.03 0.00 -1.87 0.00 0.00 60.65 58.70 1s76 h LYS 93 Cb 0.52 0.02 -0.00 0.00 0.08 0.00 0.00 32.23 32.84 1s76 h LYS 93 CO 0.00 0.86 -0.16 0.00 -0.57 0.00 0.00 179.45 179.58 1s76 h ALA 94 N 0.95 1.19 -2.06 3.86 0.00 -1.03 -3.42 119.26 118.74 1s76 h ALA 94 Ca -0.12 -0.14 -0.56 0.00 0.00 0.00 0.00 54.91 54.09 1s76 h ALA 94 Cb 1.87 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 19.61 1s76 h ALA 94 CO 0.12 0.20 1.10 0.15 0.00 0.00 0.00 179.25 180.82 1s76 s LYS 95 N -4.00 3.87 -1.34 0.00 1.02 -1.20 -4.93 119.74 113.16 1s76 s LYS 95 Ca -0.02 1.69 -0.11 0.00 0.02 0.00 0.00 55.97 57.56 1s76 s LYS 95 Cb 0.12 -4.00 0.12 0.00 -0.52 0.00 0.00 37.83 33.55 1s76 s LYS 95 CO 0.60 -1.20 1.99 0.54 -0.92 0.00 0.00 175.35 176.36 1s76 n ARG 96 N 7.52 3.37 0.00 1.68 5.12 -1.26 -4.80 116.66 128.29 1s76 n ARG 96 Ca 0.18 -3.22 0.00 0.00 -1.93 0.00 0.00 57.85 52.88 1s76 n ARG 96 Cb 0.45 -3.05 0.00 0.00 -1.16 0.00 0.00 32.46 28.70 1s76 n ARG 96 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1s76 n GLY 97 N 3.23 0.36 3.91 -0.13 0.00 -1.26 -5.16 105.19 106.15 1s76 n GLY 97 Ca 0.44 0.35 -0.29 0.00 0.00 0.00 0.00 46.02 46.52 1s76 n GLY 97 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1s76 s LYS 98 N 3.97 3.57 -0.07 1.61 2.20 -1.26 -5.10 119.74 124.66 1s76 s LYS 98 Ca 0.00 -0.19 0.03 0.00 -0.36 0.00 0.00 55.97 55.45 1s76 s LYS 98 Cb 0.00 -2.78 -0.02 0.00 -1.51 0.00 0.00 37.83 33.51 1s76 s LYS 98 CO 0.00 0.36 -0.15 1.03 -0.36 0.00 0.00 175.35 176.23 1s76 s ARG 99 N -3.25 2.73 0.40 4.03 0.52 -1.26 -5.06 118.95 117.06 1s76 s ARG 99 Ca 0.41 -0.72 -0.25 0.00 -0.52 0.00 0.00 55.73 54.64 1s76 s ARG 99 Cb -0.11 -2.41 -0.11 0.00 0.52 0.00 0.00 34.95 32.84 1s76 s ARG 99 CO 0.28 0.49 1.11 -2.30 0.02 0.00 0.00 175.30 174.90 1s76 n PRO 100 N 2.70 1.59 0.12 3.54 -0.02 -1.26 -4.81 135.00 136.86 1s76 n PRO 100 Ca -0.17 0.57 0.05 0.00 -2.02 0.00 0.00 63.50 61.93 1s76 n PRO 100 Cb 0.52 -2.15 0.29 0.00 -0.02 0.00 0.00 33.50 32.14 1s76 n PRO 100 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 1s76 n THR 101 N -0.29 0.88 -0.06 3.45 -2.24 -1.26 -1.33 114.28 113.44 1s76 n THR 101 Ca 0.08 0.67 -0.13 0.00 -2.27 0.00 0.00 64.05 62.41 1s76 n THR 101 Cb 0.38 -1.67 -0.07 0.00 -2.10 0.00 0.00 70.33 66.87 1s76 n THR 101 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1s76 h ALA 102 N 1.35 0.24 0.00 6.98 0.00 -1.88 -2.54 119.26 123.41 1s76 h ALA 102 Ca 0.00 -0.33 -0.00 0.00 0.00 0.00 0.00 54.91 54.58 1s76 h ALA 102 Cb 0.44 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.17 1s76 h ALA 102 CO 0.00 0.13 -0.01 0.35 0.00 0.00 0.00 179.25 179.72 1s76 h PHE 103 N 0.04 0.00 0.18 0.00 3.04 -1.55 -2.86 116.94 115.80 1s76 h PHE 103 Ca 0.03 0.00 -0.01 0.00 3.98 0.00 0.00 57.97 61.97 1s76 h PHE 103 Cb 0.68 0.00 0.00 0.00 2.56 0.00 0.00 35.95 39.19 1s76 h PHE 103 CO 0.08 0.01 -0.09 1.96 -2.02 0.00 0.00 178.31 178.26 1s76 h GLN 104 N 0.00 -0.23 -2.04 1.11 1.08 -1.58 -3.11 115.11 110.34 1s76 h GLN 104 Ca -0.00 0.02 -0.32 0.00 -1.45 0.00 0.00 58.65 56.89 1s76 h GLN 104 Cb 0.02 0.05 -0.11 0.00 -0.05 0.00 0.00 27.48 27.40 1s76 h GLN 104 CO 0.00 -0.15 0.04 1.19 -0.95 0.00 0.00 178.83 178.96 1s76 n PHE 105 N -3.61 0.67 -0.35 2.96 3.72 -0.98 -3.31 117.46 116.57 1s76 n PHE 105 Ca -0.03 -1.72 0.00 0.00 -0.05 0.00 0.00 57.45 55.65 1s76 n PHE 105 Cb 0.09 -1.55 0.00 0.00 -0.94 0.00 0.00 39.48 37.09 1s76 n PHE 105 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 176.76 177.99 1s76 n LEU 106 N 1.93 0.00 0.07 4.37 4.77 -1.09 -4.87 117.00 122.18 1s76 n LEU 106 Ca 0.46 0.00 0.13 0.00 -0.03 0.00 0.00 56.01 56.57 1s76 n LEU 106 Cb 0.76 0.00 0.37 0.00 -2.33 0.00 0.00 43.42 42.22 1s76 n LEU 106 CO 0.22 0.00 0.72 1.67 -1.33 0.00 0.00 177.39 178.67 1s76 n GLN 107 N 0.00 0.20 0.09 3.23 -0.06 -1.18 -4.24 117.38 115.42 1s76 n GLN 107 Ca 0.00 0.13 -0.03 0.00 -2.00 0.00 0.00 57.00 55.09 1s76 n GLN 107 Cb 0.00 -1.70 -0.02 0.00 -4.06 0.00 0.00 30.24 24.47 1s76 n GLN 107 CO 0.00 0.00 0.00 0.93 -0.20 0.00 0.00 177.06 177.79 1s76 h GLU 108 N 0.00 -0.22 -7.34 3.69 5.08 -1.88 -3.45 114.58 110.45 1s76 h GLU 108 Ca 0.00 0.01 -0.51 0.00 -1.00 0.00 0.00 59.36 57.86 1s76 h GLU 108 Cb 0.68 0.05 0.10 0.00 0.50 0.00 0.00 28.75 30.07 1s76 h GLU 108 CO 0.00 -0.15 0.37 0.96 -1.00 0.00 0.00 179.01 179.19 1s76 s ILE 109 N -3.27 3.97 0.40 3.13 -5.25 -1.26 -4.31 121.20 114.61 1s76 s ILE 109 Ca -0.03 0.64 -0.27 0.00 -0.99 0.00 0.00 60.65 60.00 1s76 s ILE 109 Cb 0.00 -3.39 -0.10 0.00 2.95 0.00 0.00 42.46 41.92 1s76 s ILE 109 CO 0.10 -0.84 1.33 0.29 -1.79 0.00 0.00 174.94 174.04 1s76 n LYS 110 N -3.14 2.15 0.00 0.37 5.02 -1.26 -4.82 118.16 116.47 1s76 n LYS 110 Ca 0.07 0.76 0.03 0.00 -2.02 0.00 0.00 58.31 57.16 1s76 n LYS 110 Cb 0.54 -2.45 0.19 0.00 -0.02 0.00 0.00 35.03 33.29 1s76 n LYS 110 CO 0.00 0.00 0.00 -0.35 -0.52 0.00 0.00 177.40 176.53 1s76 n PRO 111 N 0.22 0.16 -0.09 1.97 -0.04 -1.26 -1.82 135.00 134.14 1s76 n PRO 111 Ca 0.05 0.09 -0.13 0.00 -0.04 0.00 0.00 63.50 63.47 1s76 n PRO 111 Cb 0.39 -1.50 -0.07 0.00 -0.04 0.00 0.00 33.50 32.28 1s76 n PRO 111 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 1s76 h GLU 112 N 0.00 0.00 -0.39 0.54 4.39 -1.98 -3.30 114.58 113.83 1s76 h GLU 112 Ca 0.00 0.00 0.06 0.00 0.34 0.00 0.00 59.36 59.76 1s76 h GLU 112 Cb 0.03 0.00 -0.05 0.00 -0.10 0.00 0.00 28.75 28.62 1s76 h GLU 112 CO 0.00 0.54 0.07 0.00 -1.16 0.00 0.00 179.01 178.46 1s76 h ALA 113 N -0.70 0.42 -0.02 3.43 0.00 -1.74 -1.57 119.26 119.07 1s76 h ALA 113 Ca -0.17 0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.82 1s76 h ALA 113 Cb 0.90 0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.79 1s76 h ALA 113 CO -0.10 -0.33 -0.02 0.28 0.00 0.00 0.00 179.25 179.08 1s76 h VAL 114 N 0.20 0.00 -0.21 0.00 2.07 -1.54 0.59 116.25 117.36 1s76 h VAL 114 Ca 0.19 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.77 1s76 h VAL 114 Cb 0.23 0.00 -0.07 0.00 -1.52 0.00 0.00 31.29 29.93 1s76 h VAL 114 CO -0.25 0.00 -0.26 0.00 0.02 0.00 0.00 177.57 177.08 1s76 h ALA 115 N -1.15 -0.19 0.15 1.67 0.00 -1.60 -0.01 119.26 118.13 1s76 h ALA 115 Ca 0.00 0.06 0.01 0.00 0.00 0.00 0.00 54.91 54.99 1s76 h ALA 115 Cb 0.02 0.53 -0.03 0.00 0.00 0.00 0.00 17.79 18.31 1s76 h ALA 115 CO -0.03 -0.70 -0.25 -0.92 0.00 0.00 0.00 179.25 177.35 1s76 h TYR 116 N -0.29 -0.66 -0.09 0.00 3.20 -0.91 0.85 116.97 119.07 1s76 h TYR 116 Ca 0.12 0.01 0.03 0.00 3.14 0.00 0.00 58.73 62.03 1s76 h TYR 116 Cb 0.48 0.27 -0.00 0.00 1.54 0.00 0.00 36.73 39.02 1s76 h TYR 116 CO -0.39 -0.35 0.16 0.82 -1.64 0.00 0.00 178.16 176.75 1s76 h ILE 117 N -0.47 0.27 0.00 1.81 2.04 0.46 0.50 117.51 122.12 1s76 h ILE 117 Ca 0.02 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.88 1s76 h ILE 117 Cb 0.48 0.86 0.00 0.00 -0.74 0.00 0.00 36.82 37.42 1s76 h ILE 117 CO -0.12 0.00 0.00 0.41 0.00 0.00 0.00 178.15 178.44 1s76 n THR 118 N -3.46 0.00 -0.30 -0.27 -1.04 0.10 -1.92 114.28 107.38 1s76 n THR 118 Ca -0.01 0.26 0.04 0.00 -2.04 0.00 0.00 64.05 62.31 1s76 n THR 118 Cb 0.25 -0.58 0.11 0.00 -1.82 0.00 0.00 70.33 68.29 1s76 n THR 118 CO 0.00 0.00 0.00 -0.38 -0.64 0.00 0.00 175.07 174.05 1s76 n ILE 119 N -0.32 -0.36 0.04 12.58 5.41 -0.06 0.12 119.36 136.77 1s76 n ILE 119 Ca 0.00 1.89 -0.02 0.00 1.00 0.00 0.00 62.75 65.62 1s76 n ILE 119 Cb 0.00 -2.60 -0.01 0.00 -0.71 0.00 0.00 39.64 36.32 1s76 n ILE 119 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 176.55 177.05 1s76 h LYS 120 N 0.00 -0.12 -0.85 0.38 3.11 -0.14 -2.28 116.57 116.67 1s76 h LYS 120 Ca 0.38 0.01 0.11 0.00 -2.81 0.00 0.00 60.65 58.34 1s76 h LYS 120 Cb 0.59 0.03 -0.08 0.00 -1.00 0.00 0.00 32.23 31.77 1s76 h LYS 120 CO -0.84 -0.08 0.48 1.15 -2.81 0.00 0.00 179.45 177.35 1s76 h THR 121 N -0.13 0.87 -0.47 1.00 2.02 -0.46 -0.14 112.91 115.60 1s76 h THR 121 Ca -0.01 -0.27 0.11 0.00 0.77 0.00 0.00 66.41 67.02 1s76 h THR 121 Cb 0.11 0.02 -0.02 0.00 -1.74 0.00 0.00 68.15 66.52 1s76 h THR 121 CO -0.01 0.14 0.33 0.71 0.37 0.00 0.00 175.52 177.06 1s76 h THR 122 N 0.78 0.83 0.16 3.16 1.35 -0.22 -1.83 112.91 117.14 1s76 h THR 122 Ca 0.43 -0.05 -0.34 0.00 -0.55 0.00 0.00 66.41 65.90 1s76 h THR 122 Cb 0.45 0.67 -0.00 0.00 -1.73 0.00 0.00 68.15 67.54 1s76 h THR 122 CO -0.28 0.03 -1.74 -0.07 -0.25 0.00 0.00 175.52 173.21 1s76 h LEU 123 N 0.14 0.51 -0.33 3.87 3.38 -0.61 -3.30 115.31 118.98 1s76 h LEU 123 Ca 0.22 -0.92 0.07 0.00 0.09 0.00 0.00 57.88 57.34 1s76 h LEU 123 Cb 0.70 -0.17 -0.08 0.00 0.09 0.00 0.00 40.66 41.20 1s76 h LEU 123 CO -0.03 1.77 -0.33 0.00 0.09 0.00 0.00 178.44 179.94 1s76 h ALA 124 N 0.06 -0.25 -0.44 1.53 0.00 -0.25 -1.79 119.26 118.11 1s76 h ALA 124 Ca -0.36 0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.63 1s76 h ALA 124 Cb 2.00 0.70 0.00 0.00 0.00 0.00 0.00 17.79 20.49 1s76 h ALA 124 CO 0.13 -0.76 0.00 0.00 0.00 0.00 0.00 179.25 178.62 1s76 n LEU 126 N 0.63 1.83 0.00 0.00 0.00 -0.71 -4.42 117.00 114.33 1s76 n LEU 126 Ca 0.18 -2.63 0.00 0.00 0.00 0.00 0.00 56.01 53.56 1s76 n LEU 126 Cb 0.73 -0.33 0.00 0.00 0.00 0.00 0.00 43.42 43.81 1s76 n LEU 126 CO 0.18 0.61 0.00 0.35 0.00 0.00 0.00 177.39 178.54 1s76 n THR 127 N -1.11 0.00 -0.02 1.96 -2.24 -0.98 -4.94 114.28 106.95 1s76 n THR 127 Ca 0.12 0.00 -0.01 0.00 -2.27 0.00 0.00 64.05 61.89 1s76 n THR 127 Cb 0.66 0.73 -0.00 0.00 -2.10 0.00 0.00 70.33 69.62 1s76 n THR 127 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1s76 n SER 128 N 0.00 0.39 -3.35 3.42 3.41 -1.08 -4.56 113.62 111.84 1s76 n SER 128 Ca 0.00 0.29 -0.12 0.00 -0.26 0.00 0.00 58.87 58.78 1s76 n SER 128 Cb 0.13 -0.58 0.00 0.00 -0.26 0.00 0.00 64.21 63.51 1s76 n SER 128 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1s76 n ALA 129 N -2.61 0.42 -0.18 7.33 0.00 -1.26 -4.84 120.51 119.37 1s76 n ALA 129 Ca -0.02 -1.05 0.05 0.00 0.00 0.00 0.00 53.44 52.42 1s76 n ALA 129 Cb 0.06 0.42 0.13 0.00 0.00 0.00 0.00 19.45 20.06 1s76 n ALA 129 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1s76 n ASP 130 N -1.99 2.79 -3.13 0.00 9.92 -1.26 -4.64 116.55 118.24 1s76 n ASP 130 Ca -0.00 -2.04 -0.36 0.00 -0.53 0.00 0.00 54.79 51.86 1s76 n ASP 130 Cb 0.30 -0.20 0.01 0.00 -0.64 0.00 0.00 41.12 40.58 1s76 n ASP 130 CO 0.00 0.00 0.00 -3.20 0.13 0.00 0.00 177.20 174.13 1s76 n ASN 131 N 0.29 6.39 -4.50 -2.24 5.15 -1.26 -4.95 115.26 114.14 1s76 n ASN 131 Ca 0.10 -3.73 -0.44 0.00 -0.60 0.00 0.00 54.58 49.91 1s76 n ASN 131 Cb 0.41 -0.91 -0.00 0.00 -0.53 0.00 0.00 39.78 38.75 1s76 n ASN 131 CO 0.00 0.00 0.00 0.42 1.40 0.00 0.00 177.26 179.08 1s76 s THR 132 N -4.74 4.71 0.19 -0.44 -4.23 -1.26 -4.85 115.64 105.02 1s76 s THR 132 Ca 0.46 -2.27 0.07 0.00 -1.18 0.00 0.00 61.69 58.77 1s76 s THR 132 Cb 0.31 -4.99 -0.04 0.00 1.34 0.00 0.00 72.50 69.12 1s76 s THR 132 CO -0.22 -1.74 0.04 0.28 -0.54 0.00 0.00 174.62 172.45 1s76 s THR 133 N 2.54 3.89 0.32 3.99 -1.32 -1.26 0.23 115.64 124.03 1s76 s THR 133 Ca 0.45 -1.40 0.09 0.00 -1.21 0.00 0.00 61.69 59.62 1s76 s THR 133 Cb -0.01 -2.99 0.32 0.00 -1.51 0.00 0.00 72.50 68.31 1s76 s THR 133 CO 0.01 -0.15 1.75 -0.37 -2.21 0.00 0.00 174.62 173.65 1s76 h VAL 134 N 2.26 0.58 -0.65 5.08 -1.51 -0.93 0.14 116.25 121.23 1s76 h VAL 134 Ca -0.47 -0.21 -0.08 0.00 -1.23 0.00 0.00 66.70 64.71 1s76 h VAL 134 Cb 1.21 -0.08 -0.03 0.00 -2.13 0.00 0.00 31.29 30.26 1s76 h VAL 134 CO 0.59 0.11 0.09 1.56 -1.23 0.00 0.00 177.57 178.69 1s76 h GLN 135 N 0.61 1.09 0.08 5.19 4.20 -1.95 -0.95 115.11 123.38 1s76 h GLN 135 Ca 0.62 -0.30 -0.00 0.00 0.06 0.00 0.00 58.65 59.03 1s76 h GLN 135 Cb 1.16 -0.12 0.00 0.00 0.30 0.00 0.00 27.48 28.82 1s76 h GLN 135 CO -0.43 1.01 -0.04 0.00 -0.67 0.00 0.00 178.83 178.70 1s76 h ALA 136 N 1.03 -0.11 0.08 3.87 0.00 -1.29 -2.30 119.26 120.55 1s76 h ALA 136 Ca 0.19 -0.26 0.02 0.00 0.00 0.00 0.00 54.91 54.86 1s76 h ALA 136 Cb 0.46 0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.27 1s76 h ALA 136 CO 0.02 -0.16 -0.18 0.28 0.00 0.00 0.00 179.25 179.21 1s76 h VAL 137 N -0.92 0.58 -0.11 0.00 2.07 -0.90 0.99 116.25 117.96 1s76 h VAL 137 Ca -0.01 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.54 1s76 h VAL 137 Cb 0.55 0.58 -0.03 0.00 -1.52 0.00 0.00 31.29 30.87 1s76 h VAL 137 CO 0.02 0.00 -0.10 0.00 0.02 0.00 0.00 177.57 177.51 1s76 h ALA 138 N 0.51 -0.01 -0.87 1.67 0.00 -1.31 0.47 119.26 119.71 1s76 h ALA 138 Ca 0.03 0.05 0.13 0.00 0.00 0.00 0.00 54.91 55.12 1s76 h ALA 138 Cb 0.37 0.21 -0.07 0.00 0.00 0.00 0.00 17.79 18.30 1s76 h ALA 138 CO -0.12 -0.55 0.56 0.66 0.00 0.00 0.00 179.25 179.80 1s76 h SER 139 N -0.12 0.66 0.18 0.00 4.64 -1.12 0.80 113.55 118.59 1s76 h SER 139 Ca 0.08 0.04 -0.01 0.00 -0.47 0.00 0.00 61.79 61.42 1s76 h SER 139 Cb 0.23 -0.10 0.00 0.00 -0.31 0.00 0.00 62.40 62.22 1s76 h SER 139 CO -0.18 0.34 -0.08 0.00 -0.87 0.00 0.00 176.83 176.04 1s76 h ALA 140 N 1.60 -0.24 -0.59 5.18 0.00 0.10 -1.56 119.26 123.76 1s76 h ALA 140 Ca 0.43 -0.18 0.01 0.00 0.00 0.00 0.00 54.91 55.18 1s76 h ALA 140 Cb 0.66 0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.51 1s76 h ALA 140 CO -0.19 -0.47 0.39 0.82 0.00 0.00 0.00 179.25 179.81 1s76 h ILE 141 N -0.57 1.13 -0.08 0.00 2.04 0.10 0.24 117.51 120.37 1s76 h ILE 141 Ca -0.02 -0.27 -0.00 0.00 1.00 0.00 0.00 64.86 65.57 1s76 h ILE 141 Cb 0.43 0.29 -0.00 0.00 -0.74 0.00 0.00 36.82 36.79 1s76 h ILE 141 CO 0.04 0.14 0.05 1.23 0.00 0.00 0.00 178.15 179.61 1s76 h GLY 142 N 0.78 0.12 2.00 5.37 0.00 0.77 1.50 103.07 113.61 1s76 h GLY 142 Ca 0.22 -0.05 -0.03 0.00 0.00 0.00 0.00 47.33 47.47 1s76 h GLY 142 CO -0.05 0.05 -0.15 3.21 0.00 0.00 0.00 176.54 179.60 1s76 h ARG 143 N 0.06 0.00 0.02 4.80 2.47 -0.84 0.26 114.38 121.15 1s76 h ARG 143 Ca 0.03 0.00 -0.11 0.00 -1.26 0.00 0.00 59.98 58.64 1s76 h ARG 143 Cb 0.05 0.00 0.01 0.00 -1.65 0.00 0.00 29.97 28.38 1s76 h ARG 143 CO -0.01 0.15 -0.45 0.00 0.56 0.00 0.00 179.97 180.22 1s76 h ALA 144 N 1.85 0.02 -0.28 0.04 0.00 0.55 -1.07 119.26 120.38 1s76 h ALA 144 Ca -0.00 -0.54 -0.16 0.00 0.00 0.00 0.00 54.91 54.21 1s76 h ALA 144 Cb 0.69 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.50 1s76 h ALA 144 CO 0.02 0.22 -0.46 0.82 0.00 0.00 0.00 179.25 179.85 1s76 h ILE 145 N -0.38 1.29 -0.21 0.00 1.08 0.22 -3.04 117.51 116.47 1s76 h ILE 145 Ca -0.06 -1.65 -0.12 0.00 -0.39 0.00 0.00 64.86 62.63 1s76 h ILE 145 Cb 1.22 1.57 -0.01 0.00 -3.07 0.00 0.00 36.82 36.53 1s76 h ILE 145 CO 0.09 0.53 -0.39 -0.08 -0.69 0.00 0.00 178.15 177.61 1s76 h GLU 146 N 0.58 0.47 -2.11 2.37 4.81 -1.02 -0.97 114.58 118.72 1s76 h GLU 146 Ca 0.03 -0.23 -0.03 0.00 -0.13 0.00 0.00 59.36 59.00 1s76 h GLU 146 Cb 1.02 -0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.38 1s76 h GLU 146 CO 0.10 0.79 -0.01 -0.25 -0.73 0.00 0.00 179.01 178.90 1s76 n ASP 147 N -4.04 3.29 0.08 1.04 10.43 -0.41 -2.79 116.55 124.16 1s76 n ASP 147 Ca -0.01 -1.94 0.00 0.00 2.57 0.00 0.00 54.79 55.41 1s76 n ASP 147 Cb 0.49 -0.75 0.00 0.00 1.84 0.00 0.00 41.12 42.70 1s76 n ASP 147 CO 0.00 0.00 0.00 -0.62 -1.07 0.00 0.00 177.20 175.51 1s76 n GLU 148 N 1.98 0.00 -2.42 -1.24 -0.58 -1.18 -4.83 120.64 112.37 1s76 n GLU 148 Ca 0.08 0.00 -0.09 0.00 -0.42 0.00 0.00 57.16 56.73 1s76 n GLU 148 Cb 0.38 0.00 -0.02 0.00 -0.57 0.00 0.00 31.44 31.23 1s76 n GLU 148 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1s76 n ALA 149 N -2.76 -0.57 -2.04 0.62 0.00 -0.37 0.83 120.51 116.21 1s76 n ALA 149 Ca 0.00 -0.06 -0.13 0.00 0.00 0.00 0.00 53.44 53.24 1s76 n ALA 149 Cb 0.00 -0.45 -0.03 0.00 0.00 0.00 0.00 19.45 18.98 1s76 n ALA 149 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 1s76 n ARG 150 N -1.46 -1.83 -0.16 0.00 3.00 -1.26 -4.52 116.66 110.42 1s76 n ARG 150 Ca -0.00 0.70 -0.03 0.00 -0.00 0.00 0.00 57.85 58.52 1s76 n ARG 150 Cb 0.12 -5.18 0.03 0.00 0.00 0.00 0.00 32.46 27.43 1s76 n ARG 150 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 177.63 179.60 1s76 n PHE 151 N -2.88 0.40 -0.09 -0.14 1.16 0.24 -4.47 117.46 111.69 1s76 n PHE 151 Ca -0.15 -0.60 0.00 0.00 -1.87 0.00 0.00 57.45 54.83 1s76 n PHE 151 Cb 0.55 -0.32 0.00 0.00 -1.61 0.00 0.00 39.48 38.11 1s76 n PHE 151 CO 0.00 0.00 0.00 0.41 -1.87 0.00 0.00 176.76 175.30 1s76 n GLY 152 N 0.25 1.14 0.47 4.97 0.00 -1.26 -4.39 105.19 106.37 1s76 n GLY 152 Ca 0.08 0.00 0.40 0.00 0.00 0.00 0.00 46.02 46.50 1s76 n GLY 152 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1s76 h ARG 153 N 2.62 0.00 0.00 1.61 3.08 -1.89 1.23 114.38 121.04 1s76 h ARG 153 Ca 0.00 -0.00 -0.41 0.00 0.07 0.00 0.00 59.98 59.64 1s76 h ARG 153 Cb 0.36 -0.00 -0.07 0.00 0.08 0.00 0.00 29.97 30.34 1s76 h ARG 153 CO 0.00 0.00 -2.49 -0.89 -1.07 0.00 0.00 179.97 175.52 1s76 n ILE 154 N -4.75 1.49 0.03 2.04 -0.00 -1.26 -4.39 119.36 112.52 1s76 n ILE 154 Ca 0.40 -0.51 0.04 0.00 -0.00 0.00 0.00 62.75 62.69 1s76 n ILE 154 Cb 1.57 -1.56 0.45 0.00 -0.00 0.00 0.00 39.64 40.10 1s76 n ILE 154 CO 0.00 0.00 0.00 0.03 -0.00 0.00 0.00 176.55 176.58 1s76 h ARG 155 N -0.31 0.47 0.00 0.38 -0.00 -1.39 -3.29 114.38 110.24 1s76 h ARG 155 Ca -0.62 -0.03 0.00 0.00 -0.50 0.00 0.00 59.98 58.84 1s76 h ARG 155 Cb 1.80 -0.11 0.00 0.00 0.00 0.00 0.00 29.97 31.67 1s76 h ARG 155 CO -0.19 0.31 0.00 -0.25 0.00 0.00 0.00 179.97 179.84 1s76 n ASP 156 N -4.48 0.00 -1.26 7.04 9.92 0.41 -4.76 116.55 123.42 1s76 n ASP 156 Ca 0.02 0.00 -0.04 0.00 -0.53 0.00 0.00 54.79 54.24 1s76 n ASP 156 Cb 0.06 0.00 -0.02 0.00 -0.64 0.00 0.00 41.12 40.53 1s76 n ASP 156 CO 0.00 0.00 0.00 0.18 0.13 0.00 0.00 177.20 177.51 1s76 n LEU 157 N 0.00 -0.34 -3.73 0.64 4.77 -1.26 -0.28 117.00 116.81 1s76 n LEU 157 Ca 0.00 0.14 -0.26 0.00 -0.03 0.00 0.00 56.01 55.86 1s76 n LEU 157 Cb 0.00 -1.05 0.06 0.00 -2.33 0.00 0.00 43.42 40.10 1s76 n LEU 157 CO 0.00 -0.22 0.17 1.21 -1.33 0.00 0.00 177.39 177.22 1s76 n GLU 158 N -1.42 -6.76 -3.27 3.23 4.07 -1.26 -4.92 120.64 110.31 1s76 n GLU 158 Ca -0.05 0.72 -0.38 0.00 -0.06 0.00 0.00 57.16 57.40 1s76 n GLU 158 Cb 0.18 -5.69 -0.03 0.00 -0.06 0.00 0.00 31.44 25.85 1s76 n GLU 158 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1s76 n ALA 159 N -4.80 4.54 0.05 4.31 0.00 0.62 -4.88 120.51 120.35 1s76 n ALA 159 Ca -0.01 -4.74 0.02 0.00 0.00 0.00 0.00 53.44 48.71 1s76 n ALA 159 Cb 0.56 -1.89 0.12 0.00 0.00 0.00 0.00 19.45 18.24 1s76 n ALA 159 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1s76 n LYS 160 N 1.55 0.03 0.20 0.00 4.01 -1.26 -1.97 118.16 120.73 1s76 n LYS 160 Ca 0.26 0.42 0.17 0.00 -0.51 0.00 0.00 58.31 58.65 1s76 n LYS 160 Cb 0.36 -1.76 0.69 0.00 -0.51 0.00 0.00 35.03 33.82 1s76 n LYS 160 CO 0.00 0.00 0.00 1.25 -1.11 0.00 0.00 177.40 177.54 1s76 h HIS 161 N 0.00 0.00 -0.00 2.13 2.76 -1.90 0.45 115.15 118.59 1s76 h HIS 161 Ca 0.00 0.00 -0.01 0.00 -2.20 0.00 0.00 60.37 58.16 1s76 h HIS 161 Cb 0.32 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.29 1s76 h HIS 161 CO 0.00 0.00 -0.04 0.35 -1.30 0.00 0.00 177.93 176.94 1s76 h PHE 162 N 0.00 0.04 0.00 5.26 3.04 -1.60 -0.66 116.94 123.03 1s76 h PHE 162 Ca 0.11 -0.02 -0.05 0.00 3.98 0.00 0.00 57.97 61.99 1s76 h PHE 162 Cb 1.10 -0.01 -0.02 0.00 2.56 0.00 0.00 35.95 39.59 1s76 h PHE 162 CO 0.00 0.77 -0.09 1.63 -2.02 0.00 0.00 178.31 178.61 1s76 n LYS 163 N -4.70 1.17 0.00 1.11 5.02 0.16 0.21 118.16 121.13 1s76 n LYS 163 Ca -0.09 -0.25 0.00 0.00 -2.02 0.00 0.00 58.31 55.94 1s76 n LYS 163 Cb 0.39 -1.30 0.00 0.00 -0.02 0.00 0.00 35.03 34.10 1s76 n LYS 163 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 1s76 n LYS 164 N 1.82 0.00 0.00 1.97 4.81 -1.20 -4.94 118.16 120.62 1s76 n LYS 164 Ca 0.11 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.55 1s76 n LYS 164 Cb 0.57 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.62 1s76 n LYS 164 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 1s76 n ASN 165 N -2.05 0.91 0.00 3.14 3.02 -0.29 -4.43 115.26 115.56 1s76 n ASN 165 Ca 0.00 -1.17 0.00 0.00 -0.03 0.00 0.00 54.58 53.38 1s76 n ASN 165 Cb 0.00 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.17 1s76 n ASN 165 CO 0.00 0.00 0.00 0.52 -2.62 0.00 0.00 177.26 175.16 1s76 n VAL 166 N -0.09 0.00 -0.07 2.41 0.31 -0.94 -4.73 118.33 115.22 1s76 n VAL 166 Ca 0.00 0.00 -0.16 0.00 -0.01 0.00 0.00 64.34 64.17 1s76 n VAL 166 Cb 0.13 -0.14 -0.14 0.00 -0.91 0.00 0.00 33.84 32.78 1s76 n VAL 166 CO 0.00 0.00 0.00 1.21 -1.32 0.00 0.00 176.83 176.72 1s76 n GLU 167 N -1.45 0.69 0.15 5.55 2.13 0.55 -3.54 120.64 124.72 1s76 n GLU 167 Ca 0.00 0.18 0.10 0.00 0.66 0.00 0.00 57.16 58.09 1s76 n GLU 167 Cb 0.18 -1.62 0.52 0.00 0.27 0.00 0.00 31.44 30.79 1s76 n GLU 167 CO 0.00 0.00 0.00 -1.91 -0.41 0.00 0.00 177.13 174.81 1s76 n GLU 168 N -3.19 0.12 -0.10 5.31 2.13 -1.26 -2.70 120.64 120.96 1s76 n GLU 168 Ca -0.34 0.62 -0.18 0.00 0.66 0.00 0.00 57.16 57.92 1s76 n GLU 168 Cb 1.05 -1.92 -0.07 0.00 0.27 0.00 0.00 31.44 30.77 1s76 n GLU 168 CO 0.00 0.00 0.00 1.04 -0.41 0.00 0.00 177.13 177.76 1s76 n GLN 169 N -2.17 0.42 -0.33 5.31 3.00 -1.26 -4.33 117.38 118.02 1s76 n GLN 169 Ca -0.01 0.16 0.10 0.00 -0.01 0.00 0.00 57.00 57.24 1s76 n GLN 169 Cb 0.04 -1.24 0.28 0.00 0.00 0.00 0.00 30.24 29.31 1s76 n GLN 169 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.06 178.31 1s76 h LEU 170 N -0.47 0.68 0.00 1.08 5.85 -1.58 1.41 115.31 122.29 1s76 h LEU 170 Ca -0.46 0.09 0.00 0.00 0.84 0.00 0.00 57.88 58.35 1s76 h LEU 170 Cb 1.49 -0.03 0.00 0.00 0.37 0.00 0.00 40.66 42.50 1s76 h LEU 170 CO -0.22 0.26 0.00 0.59 -0.34 0.00 0.00 178.44 178.73 1s76 n ASN 171 N -4.80 0.00 -0.10 1.25 4.13 -1.10 -3.16 115.26 111.48 1s76 n ASN 171 Ca 0.21 0.27 -0.15 0.00 1.68 0.00 0.00 54.58 56.59 1s76 n ASN 171 Cb 0.50 -0.39 -0.06 0.00 -1.54 0.00 0.00 39.78 38.30 1s76 n ASN 171 CO 0.00 0.00 0.00 1.17 0.28 0.00 0.00 177.26 178.71 1s76 n LYS 172 N -1.39 0.53 -1.68 3.52 0.00 0.46 -4.93 118.16 114.68 1s76 n LYS 172 Ca 0.06 0.37 -0.52 0.00 0.00 0.00 0.00 58.31 58.21 1s76 n LYS 172 Cb 0.15 -1.57 -0.06 0.00 0.00 0.00 0.00 35.03 33.55 1s76 n LYS 172 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.40 177.94 1s76 n ARG 173 N -4.45 1.66 -3.37 1.64 5.12 0.02 -4.95 116.66 112.32 1s76 n ARG 173 Ca -0.25 0.60 -0.32 0.00 -1.93 0.00 0.00 57.85 55.95 1s76 n ARG 173 Cb 0.57 -2.35 -0.06 0.00 -1.16 0.00 0.00 32.46 29.46 1s76 n ARG 173 CO 0.00 0.00 0.00 0.14 -1.93 0.00 0.00 177.63 175.84 1s76 s VAL 174 N 3.00 4.89 0.00 1.55 -7.23 -1.26 -4.76 120.40 116.58 1s76 s VAL 174 Ca 0.92 0.58 0.00 0.00 -1.81 0.00 0.00 61.98 61.67 1s76 s VAL 174 Cb -0.87 -3.63 0.00 0.00 0.56 0.00 0.00 36.38 32.44 1s76 s VAL 174 CO 0.54 -0.04 0.00 0.61 -0.31 0.00 0.00 175.10 175.90 1s76 n GLY 175 N -0.04 -0.53 0.00 2.32 0.00 -1.26 -4.23 105.19 101.45 1s76 n GLY 175 Ca 0.00 -1.25 0.07 0.00 0.00 0.00 0.00 46.02 44.85 1s76 n GLY 175 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1s76 n HIS 176 N 1.15 0.00 -0.06 1.61 -0.00 -1.26 -2.05 115.22 114.60 1s76 n HIS 176 Ca 0.00 0.00 -0.21 0.00 -0.00 0.00 0.00 57.72 57.51 1s76 n HIS 176 Cb 0.00 -0.14 -0.13 0.00 -0.00 0.00 0.00 29.99 29.73 1s76 n HIS 176 CO 0.00 0.00 0.00 0.28 -0.00 0.00 0.00 176.34 176.62 1s76 n VAL 177 N -1.14 1.64 0.60 1.59 0.31 -1.26 -3.85 118.33 116.23 1s76 n VAL 177 Ca 0.09 -0.55 0.13 0.00 -0.01 0.00 0.00 64.34 63.99 1s76 n VAL 177 Cb 0.08 -1.66 0.34 0.00 -0.91 0.00 0.00 33.84 31.69 1s76 n VAL 177 CO 0.00 0.00 0.00 1.88 -1.32 0.00 0.00 176.83 177.39 1s76 h TYR 178 N -0.12 0.00 0.02 3.52 0.05 -1.63 -2.20 116.97 116.61 1s76 h TYR 178 Ca -0.49 0.00 -0.25 0.00 0.05 0.00 0.00 58.73 58.04 1s76 h TYR 178 Cb 1.90 0.00 -0.03 0.00 1.01 0.00 0.00 36.73 39.60 1s76 h TYR 178 CO 0.05 0.00 -1.30 0.87 -1.05 0.00 0.00 178.16 176.73 1s76 h LYS 179 N 0.00 0.04 0.00 4.88 1.57 -1.60 0.53 116.57 121.99 1s76 h LYS 179 Ca 0.00 -0.07 0.00 0.00 -1.87 0.00 0.00 60.65 58.71 1s76 h LYS 179 Cb 0.75 0.03 0.00 0.00 0.08 0.00 0.00 32.23 33.09 1s76 h LYS 179 CO 0.00 0.86 -0.36 -0.22 -0.57 0.00 0.00 179.45 179.16 1s76 h LYS 180 N 0.01 0.00 0.01 3.15 1.63 -1.66 -2.78 116.57 116.94 1s76 h LYS 180 Ca -0.13 0.00 -0.37 0.00 -0.85 0.00 0.00 60.65 59.30 1s76 h LYS 180 Cb 1.89 0.00 -0.05 0.00 -0.60 0.00 0.00 32.23 33.46 1s76 h LYS 180 CO 0.12 0.00 -2.04 0.00 -3.45 0.00 0.00 179.45 174.08 1s76 n ALA 181 N -2.00 1.05 0.27 5.00 0.00 -0.83 -4.09 120.51 119.90 1s76 n ALA 181 Ca 0.03 -0.84 0.14 0.00 0.00 0.00 0.00 53.44 52.77 1s76 n ALA 181 Cb 0.50 -0.21 0.72 0.00 0.00 0.00 0.00 19.45 20.47 1s76 n ALA 181 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.50 177.85 1s76 h PHE 182 N -0.81 0.00 0.00 0.00 3.57 -0.06 -0.81 116.94 118.83 1s76 h PHE 182 Ca -0.54 0.00 -0.05 0.00 3.53 0.00 0.00 57.97 60.91 1s76 h PHE 182 Cb 1.57 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 40.31 1s76 h PHE 182 CO 0.00 0.10 -0.23 1.98 -2.23 0.00 0.00 178.31 177.94 1s76 h MET 183 N 0.00 0.00 0.00 1.11 4.05 -1.67 -1.60 114.93 116.83 1s76 h MET 183 Ca -0.00 0.00 -0.04 0.00 -0.28 0.00 0.00 59.70 59.38 1s76 h MET 183 Cb 0.42 0.00 -0.01 0.00 -0.80 0.00 0.00 31.60 31.21 1s76 h MET 183 CO 0.01 0.23 -0.18 0.37 0.23 0.00 0.00 176.91 177.57 1s76 h GLN 184 N 0.00 0.00 0.41 0.39 5.75 -1.29 -2.60 115.11 117.78 1s76 h GLN 184 Ca -0.00 0.00 -0.02 0.00 -0.15 0.00 0.00 58.65 58.48 1s76 h GLN 184 Cb 0.69 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.24 1s76 h GLN 184 CO 0.03 0.18 -0.21 0.28 -2.65 0.00 0.00 178.83 176.45 1s76 h VAL 185 N 0.00 0.00 -0.94 2.39 2.07 -1.36 -1.58 116.25 116.84 1s76 h VAL 185 Ca -0.00 0.00 0.24 0.00 0.82 0.00 0.00 66.70 67.76 1s76 h VAL 185 Cb 0.38 0.00 -0.13 0.00 -1.52 0.00 0.00 31.29 30.02 1s76 h VAL 185 CO 0.02 0.00 0.46 0.58 0.02 0.00 0.00 177.57 178.66 1s76 h VAL 186 N -0.57 0.46 -0.21 2.57 2.07 -1.59 0.21 116.25 119.19 1s76 h VAL 186 Ca -0.06 -0.15 -0.03 0.00 0.82 0.00 0.00 66.70 67.28 1s76 h VAL 186 Cb 0.45 -0.01 -0.01 0.00 -1.52 0.00 0.00 31.29 30.19 1s76 h VAL 186 CO 0.08 0.08 -0.02 -0.08 0.02 0.00 0.00 177.57 177.65 1s76 h GLU 187 N 0.43 0.31 -0.07 1.57 4.81 -1.27 -3.14 114.58 117.22 1s76 h GLU 187 Ca 0.61 -0.05 0.02 0.00 -0.13 0.00 0.00 59.36 59.81 1s76 h GLU 187 Cb 1.20 -0.05 -0.05 0.00 0.63 0.00 0.00 28.75 30.47 1s76 h GLU 187 CO -0.53 0.36 -0.47 0.00 -0.73 0.00 0.00 179.01 177.63 1s76 h ALA 188 N 1.68 -0.86 -2.20 2.92 0.00 0.47 -3.41 119.26 117.85 1s76 h ALA 188 Ca 0.07 -0.06 -0.59 0.00 0.00 0.00 0.00 54.91 54.32 1s76 h ALA 188 Cb 0.25 0.94 0.09 0.00 0.00 0.00 0.00 17.79 19.07 1s76 h ALA 188 CO 0.01 -1.02 0.43 -3.47 0.00 0.00 0.00 179.25 175.19 1s76 n ASP 189 N -5.07 2.21 -0.25 0.00 4.64 -1.19 -4.88 116.55 112.01 1s76 n ASP 189 Ca -0.06 1.17 -0.08 0.00 -1.38 0.00 0.00 54.79 54.43 1s76 n ASP 189 Cb 0.34 -1.38 -0.04 0.00 -1.04 0.00 0.00 41.12 39.00 1s76 n ASP 189 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 1s76 h MET 190 N 3.20 -0.18 -6.29 -0.67 -0.00 -1.88 -3.46 114.93 105.65 1s76 h MET 190 Ca -0.44 0.01 -0.47 0.00 -0.00 0.00 0.00 59.70 58.80 1s76 h MET 190 Cb 1.30 0.04 -0.03 0.00 -0.00 0.00 0.00 31.60 32.91 1s76 h MET 190 CO 0.68 -0.12 -0.78 1.28 -0.00 0.00 0.00 176.91 177.98 1s76 n LEU 191 N -5.39 -2.60 -1.19 -0.10 4.77 -1.26 -4.64 117.00 106.59 1s76 n LEU 191 Ca 0.02 -0.81 0.14 0.00 -0.03 0.00 0.00 56.01 55.33 1s76 n LEU 191 Cb 0.34 -2.54 -0.05 0.00 -2.33 0.00 0.00 43.42 38.84 1s76 n LEU 191 CO -0.05 0.45 -0.32 -1.54 -1.33 0.00 0.00 177.39 174.60 1s76 n SER 192 N -2.87 -6.45 0.00 -1.43 3.41 -1.26 -4.83 113.62 100.18 1s76 n SER 192 Ca -0.03 0.72 0.00 0.00 -0.26 0.00 0.00 58.87 59.29 1s76 n SER 192 Cb 0.56 -3.81 0.00 0.00 -0.26 0.00 0.00 64.21 60.70 1s76 n SER 192 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1s76 n LYS 193 N -3.65 0.00 0.00 4.33 4.76 -1.26 -4.98 118.16 117.36 1s76 n LYS 193 Ca -0.02 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.42 1s76 n LYS 193 Cb 0.64 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.83 1s76 n LYS 193 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1s76 n GLY 194 N 0.00 3.16 1.18 0.72 0.00 -1.26 -5.07 105.19 103.92 1s76 n GLY 194 Ca 0.00 -1.82 0.00 0.00 0.00 0.00 0.00 46.02 44.20 1s76 n GLY 194 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1s76 n ALA 200 N -1.72 -1.69 -3.36 4.61 0.00 -1.26 -5.02 120.51 112.07 1s76 n ALA 200 Ca 0.00 0.35 -0.11 0.00 0.00 0.00 0.00 53.44 53.68 1s76 n ALA 200 Cb 0.00 -1.20 -0.08 0.00 0.00 0.00 0.00 19.45 18.16 1s76 n ALA 200 CO 0.00 0.00 0.00 -0.46 0.00 0.00 0.00 177.50 177.04 1s76 s TRP 201 N -4.16 -0.77 -0.05 0.00 -0.11 -1.26 -5.12 118.94 107.47 1s76 s TRP 201 Ca 0.00 0.54 -0.30 0.00 1.22 0.00 0.00 56.10 57.56 1s76 s TRP 201 Cb 0.00 -0.11 -0.06 0.00 -1.50 0.00 0.00 33.47 31.79 1s76 s TRP 201 CO 0.00 -0.79 1.76 0.45 -4.62 0.00 0.00 176.95 173.75 1s76 s SER 202 N 2.50 6.54 0.19 5.86 0.15 -1.26 -4.94 113.70 122.75 1s76 s SER 202 Ca 0.11 2.29 -0.30 0.00 0.70 0.00 0.00 55.95 58.75 1s76 s SER 202 Cb -0.15 -2.53 -0.09 0.00 -1.71 0.00 0.00 66.02 61.54 1s76 s SER 202 CO -0.21 -1.02 1.36 -0.44 1.20 0.00 0.00 173.24 174.13 1s76 s SER 203 N 3.88 6.82 0.00 5.45 0.01 -1.26 -4.85 113.70 123.75 1s76 s SER 203 Ca 0.78 2.45 0.00 0.00 1.31 0.00 0.00 55.95 60.49 1s76 s SER 203 Cb -0.35 -2.61 0.00 0.00 0.21 0.00 0.00 66.02 63.27 1s76 s SER 203 CO 0.33 -0.60 0.41 0.79 0.41 0.00 0.00 173.24 174.58 1s76 n TRP 204 N 2.85 0.00 -1.56 2.43 7.02 -1.26 -4.91 117.44 122.01 1s76 n TRP 204 Ca 0.07 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.55 1s76 n TRP 204 Cb 0.42 0.00 0.00 0.00 -2.42 0.00 0.00 31.31 29.31 1s76 n TRP 204 CO 0.00 0.00 0.00 0.72 -2.02 0.00 0.00 177.69 176.39 1s76 n HIS 205 N -0.91 -4.31 0.92 -5.99 8.25 -1.26 -3.31 115.22 108.61 1s76 n HIS 205 Ca 0.00 2.31 0.00 0.00 -0.26 0.00 0.00 57.72 59.77 1s76 n HIS 205 Cb 0.00 -3.52 0.00 0.00 1.12 0.00 0.00 29.99 27.59 1s76 n HIS 205 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 1s76 n LYS 206 N -1.51 0.64 0.00 -0.41 5.02 -1.26 -2.60 118.16 118.04 1s76 n LYS 206 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 1s76 n LYS 206 Cb 0.17 -1.19 0.00 0.00 -0.02 0.00 0.00 35.03 33.99 1s76 n LYS 206 CO 0.00 0.00 0.00 -0.85 -0.52 0.00 0.00 177.40 176.03 1s76 n GLU 207 N -0.11 0.83 -0.03 1.97 0.28 -1.26 -4.67 120.64 117.65 1s76 n GLU 207 Ca 0.00 0.00 -0.12 0.00 -0.16 0.00 0.00 57.16 56.88 1s76 n GLU 207 Cb 0.09 -0.93 -0.14 0.00 1.43 0.00 0.00 31.44 31.89 1s76 n GLU 207 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 177.13 176.72 1s76 n ASP 208 N -1.31 1.01 0.02 -1.84 8.00 -1.07 -4.13 116.55 117.23 1s76 n ASP 208 Ca 0.00 0.28 -0.10 0.00 0.71 0.00 0.00 54.79 55.68 1s76 n ASP 208 Cb 0.01 -0.05 -0.04 0.00 -0.02 0.00 0.00 41.12 41.02 1s76 n ASP 208 CO 0.00 0.00 0.00 0.28 -0.39 0.00 0.00 177.20 177.09 1s76 h SER 209 N 0.01 -0.41 -0.42 -2.24 0.02 -1.62 0.25 113.55 109.15 1s76 h SER 209 Ca -0.37 0.07 0.09 0.00 -0.84 0.00 0.00 61.79 60.74 1s76 h SER 209 Cb 2.05 0.19 -0.08 0.00 0.14 0.00 0.00 62.40 64.70 1s76 h SER 209 CO 0.06 -0.18 -0.14 0.16 -1.14 0.00 0.00 176.83 175.59 1s76 h ILE 210 N -0.19 0.51 -0.75 3.27 3.07 -1.78 0.21 117.51 121.85 1s76 h ILE 210 Ca 0.07 0.00 0.01 0.00 1.55 0.00 0.00 64.86 66.49 1s76 h ILE 210 Cb 0.29 0.51 -0.04 0.00 -0.27 0.00 0.00 36.82 37.31 1s76 h ILE 210 CO -0.19 0.00 0.50 0.45 -1.05 0.00 0.00 178.15 177.86 1s76 h HIS 211 N -0.05 0.95 -0.97 0.16 3.86 -1.58 0.56 115.15 118.08 1s76 h HIS 211 Ca 0.20 0.02 0.12 0.00 -1.16 0.00 0.00 60.37 59.56 1s76 h HIS 211 Cb 0.36 -0.32 -0.09 0.00 1.06 0.00 0.00 27.41 28.42 1s76 h HIS 211 CO -0.40 0.60 0.60 0.28 0.86 0.00 0.00 177.93 179.87 1s76 h VAL 212 N 1.02 0.89 -0.09 2.45 2.07 0.16 -0.65 116.25 122.11 1s76 h VAL 212 Ca 0.28 -0.32 -0.24 0.00 0.82 0.00 0.00 66.70 67.24 1s76 h VAL 212 Cb -0.12 -0.12 0.01 0.00 -1.52 0.00 0.00 31.29 29.55 1s76 h VAL 212 CO -0.06 0.17 -0.88 1.23 0.02 0.00 0.00 177.57 178.05 1s76 h GLY 213 N 0.93 0.82 -0.17 2.17 0.00 0.97 -3.01 103.07 104.77 1s76 h GLY 213 Ca 0.49 -1.26 0.03 0.00 0.00 0.00 0.00 47.33 46.59 1s76 h GLY 213 CO -0.28 1.12 -0.54 -2.08 0.00 0.00 0.00 176.54 174.76 1s76 h VAL 214 N 0.47 0.01 -0.68 4.60 2.07 0.16 2.27 116.25 125.15 1s76 h VAL 214 Ca -0.08 0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.52 1s76 h VAL 214 Cb 1.52 0.01 -0.07 0.00 -1.52 0.00 0.00 31.29 31.23 1s76 h VAL 214 CO 0.18 0.00 0.34 -0.09 0.02 0.00 0.00 177.57 178.01 1s76 h ARG 215 N -0.55 0.57 -0.85 1.57 9.65 -1.48 0.77 114.38 124.06 1s76 h ARG 215 Ca 0.04 -0.03 -0.02 0.00 -1.10 0.00 0.00 59.98 58.87 1s76 h ARG 215 Cb 0.67 -0.13 -0.04 0.00 -1.39 0.00 0.00 29.97 29.08 1s76 h ARG 215 CO -0.46 0.38 0.44 0.00 2.80 0.00 0.00 179.97 183.13 1s76 h ILE 217 N 1.20 1.12 -3.79 0.00 1.08 0.55 -3.32 117.51 114.35 1s76 h ILE 217 Ca 0.30 -0.37 -0.39 0.00 -0.39 0.00 0.00 64.86 64.01 1s76 h ILE 217 Cb 0.06 -0.05 0.15 0.00 -3.07 0.00 0.00 36.82 33.91 1s76 h ILE 217 CO -0.04 0.20 0.36 -0.62 -0.69 0.00 0.00 178.15 177.35 1s76 n GLU 218 N -4.55 -1.08 0.00 2.37 1.02 0.08 -3.26 120.64 115.22 1s76 n GLU 218 Ca 0.12 -1.90 0.00 0.00 -0.02 0.00 0.00 57.16 55.36 1s76 n GLU 218 Cb 0.11 -1.18 0.00 0.00 -0.02 0.00 0.00 31.44 30.35 1s76 n GLU 218 CO 0.00 0.00 0.00 -1.33 1.18 0.00 0.00 177.13 176.98 1s76 n MET 219 N -3.46 0.00 0.07 3.49 2.81 -1.24 -4.21 117.12 114.57 1s76 n MET 219 Ca 0.15 0.00 -0.16 0.00 -1.81 0.00 0.00 57.70 55.88 1s76 n MET 219 Cb 0.52 -0.17 -0.07 0.00 -0.71 0.00 0.00 33.22 32.79 1s76 n MET 219 CO 0.00 0.00 0.00 1.25 1.51 0.00 0.00 175.97 178.73 1s76 h LEU 220 N 0.00 0.65 0.10 4.03 5.85 -1.66 0.28 115.31 124.56 1s76 h LEU 220 Ca 0.00 -0.53 -0.26 0.00 0.84 0.00 0.00 57.88 57.93 1s76 h LEU 220 Cb 0.00 -0.20 -0.00 0.00 0.37 0.00 0.00 40.66 40.83 1s76 h LEU 220 CO 0.00 1.34 -1.20 0.40 -0.34 0.00 0.00 178.44 178.64 1s76 h ILE 221 N 0.26 1.54 0.00 4.05 2.04 -1.72 0.33 117.51 124.02 1s76 h ILE 221 Ca -0.10 -3.15 -0.05 0.00 1.00 0.00 0.00 64.86 62.56 1s76 h ILE 221 Cb 1.66 2.92 -0.01 0.00 -0.74 0.00 0.00 36.82 40.65 1s76 h ILE 221 CO 0.18 0.91 -0.22 -0.33 0.00 0.00 0.00 178.15 178.69 1s76 h GLU 222 N 0.06 0.00 0.00 2.37 5.08 -1.81 -3.29 114.58 116.99 1s76 h GLU 222 Ca -0.11 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.25 1s76 h GLU 222 Cb 1.93 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.18 1s76 h GLU 222 CO 0.18 0.22 0.00 -1.13 -1.00 0.00 0.00 179.01 177.28 1s76 n SER 223 N -3.53 0.00 -0.06 1.42 3.41 0.99 -4.87 113.62 110.98 1s76 n SER 223 Ca -0.01 0.00 -0.01 0.00 -0.26 0.00 0.00 58.87 58.60 1s76 n SER 223 Cb 0.38 -0.03 0.27 0.00 -0.26 0.00 0.00 64.21 64.56 1s76 n SER 223 CO 0.00 0.00 0.00 0.71 -0.16 0.00 0.00 175.04 175.59 1s76 h THR 224 N 0.00 1.20 0.00 6.66 1.35 -1.44 -3.46 112.91 117.23 1s76 h THR 224 Ca 0.00 -0.73 0.00 0.00 -0.55 0.00 0.00 66.41 65.13 1s76 h THR 224 Cb 0.00 0.77 0.00 0.00 -1.73 0.00 0.00 68.15 67.19 1s76 h THR 224 CO 0.00 0.26 0.00 0.61 -0.25 0.00 0.00 175.52 176.14 1s76 n GLY 225 N -0.94 0.31 0.00 5.82 0.00 0.11 -4.92 105.19 105.56 1s76 n GLY 225 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.05 1s76 n GLY 225 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 1s76 n MET 226 N -1.25 0.00 -1.15 1.61 0.00 -1.25 -4.68 117.12 110.39 1s76 n MET 226 Ca 0.00 0.09 -0.33 0.00 0.00 0.00 0.00 57.70 57.45 1s76 n MET 226 Cb 0.19 -0.66 0.12 0.00 0.00 0.00 0.00 33.22 32.87 1s76 n MET 226 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 175.97 176.11 1s76 s VAL 227 N -0.31 2.07 0.07 1.12 -7.23 -1.26 -2.89 120.40 111.97 1s76 s VAL 227 Ca 0.00 0.03 0.03 0.00 -1.81 0.00 0.00 61.98 60.24 1s76 s VAL 227 Cb 0.00 -2.46 -0.03 0.00 0.56 0.00 0.00 36.38 34.45 1s76 s VAL 227 CO 0.00 -0.02 -0.10 -0.44 -0.31 0.00 0.00 175.10 174.23 1s76 s SER 228 N -2.14 1.31 -0.26 4.85 0.01 -0.81 -4.82 113.70 111.84 1s76 s SER 228 Ca 0.73 -0.69 -0.04 0.00 1.31 0.00 0.00 55.95 57.26 1s76 s SER 228 Cb -0.29 0.01 0.01 0.00 0.21 0.00 0.00 66.02 65.96 1s76 s SER 228 CO 0.50 -0.21 -0.00 -0.76 0.41 0.00 0.00 173.24 173.18 1s76 s LEU 229 N -2.04 3.42 0.00 2.44 2.01 -1.26 -1.11 118.68 122.13 1s76 s LEU 229 Ca -0.01 -0.73 0.00 0.00 0.01 0.00 0.00 54.13 53.40 1s76 s LEU 229 Cb -0.06 -1.76 0.00 0.00 0.01 0.00 0.00 46.19 44.37 1s76 s LEU 229 CO 0.00 -0.14 0.00 1.41 1.01 0.00 0.00 176.35 178.64 1s76 n HIS 230 N 4.77 -1.44 -2.48 0.29 8.25 -1.21 -5.03 115.22 118.36 1s76 n HIS 230 Ca -0.16 0.00 -0.03 0.00 -0.26 0.00 0.00 57.72 57.27 1s76 n HIS 230 Cb 0.48 0.00 0.05 0.00 1.12 0.00 0.00 29.99 31.64 1s76 n HIS 230 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 1s76 n ARG 231 N -0.72 0.92 0.06 -0.41 1.74 -1.26 -4.90 116.66 112.09 1s76 n ARG 231 Ca 0.00 -1.48 -0.11 0.00 -0.77 0.00 0.00 57.85 55.48 1s76 n ARG 231 Cb 0.00 0.17 -0.05 0.00 -1.02 0.00 0.00 32.46 31.57 1s76 n ARG 231 CO 0.00 0.00 0.00 -0.56 -1.52 0.00 0.00 177.63 175.55 1s76 h GLN 232 N 0.90 -0.27 -3.89 5.56 -0.00 -1.97 -3.53 115.11 111.91 1s76 h GLN 232 Ca -0.43 0.02 0.00 0.00 -0.00 0.00 0.00 58.65 58.24 1s76 h GLN 232 Cb 1.37 0.06 0.00 0.00 -0.00 0.00 0.00 27.48 28.91 1s76 h GLN 232 CO -0.15 -0.18 0.00 0.45 -0.00 0.00 0.00 178.83 178.94 1s76 n SER 241 N -5.30 -0.50 -3.64 0.06 2.88 -1.26 -5.20 113.62 100.66 1s76 n SER 241 Ca -0.05 0.93 -0.06 0.00 -1.33 0.00 0.00 58.87 58.36 1s76 n SER 241 Cb 0.22 -1.41 -0.07 0.00 -0.75 0.00 0.00 64.21 62.20 1s76 n SER 241 CO 0.00 0.00 0.00 -1.61 -1.23 0.00 0.00 175.04 172.20 1s76 s GLU 242 N 0.00 0.55 0.62 -1.46 0.41 -1.26 -5.01 118.70 112.55 1s76 s GLU 242 Ca 0.00 0.88 -0.16 0.00 -0.41 0.00 0.00 54.97 55.27 1s76 s GLU 242 Cb 0.00 0.15 -0.02 0.00 -1.78 0.00 0.00 34.13 32.48 1s76 s GLU 242 CO 0.00 -0.10 1.11 0.95 -0.49 0.00 0.00 175.26 176.72 1s76 s THR 243 N 1.19 3.31 -0.06 3.63 -4.23 -1.26 -0.25 115.64 117.96 1s76 s THR 243 Ca -0.07 0.66 0.03 0.00 -1.18 0.00 0.00 61.69 61.14 1s76 s THR 243 Cb -0.04 -3.19 -0.02 0.00 1.34 0.00 0.00 72.50 70.58 1s76 s THR 243 CO -0.14 -0.32 -0.14 -0.63 -0.54 0.00 0.00 174.62 172.85 1s76 s ILE 244 N -2.20 3.05 0.14 2.99 -1.09 0.62 -3.36 121.20 121.35 1s76 s ILE 244 Ca 0.68 -0.72 0.01 0.00 -2.23 0.00 0.00 60.65 58.40 1s76 s ILE 244 Cb -0.21 -2.20 -0.01 0.00 -1.58 0.00 0.00 42.46 38.46 1s76 s ILE 244 CO 0.37 0.58 0.05 -1.84 -1.23 0.00 0.00 174.94 172.87 1s76 n GLU 245 N 2.52 0.79 -4.75 2.79 0.28 -0.27 -4.80 120.64 117.20 1s76 n GLU 245 Ca -0.17 -1.18 -0.24 0.00 -0.16 0.00 0.00 57.16 55.40 1s76 n GLU 245 Cb 0.52 0.65 -0.16 0.00 1.43 0.00 0.00 31.44 33.89 1s76 n GLU 245 CO 0.00 0.00 0.00 -0.51 -0.16 0.00 0.00 177.13 176.46 1s76 s LEU 246 N 0.00 1.96 0.45 -1.84 2.01 -1.26 -1.92 118.68 118.08 1s76 s LEU 246 Ca 0.07 -0.30 -0.25 0.00 0.01 0.00 0.00 54.13 53.66 1s76 s LEU 246 Cb 0.00 -0.85 -0.09 0.00 0.01 0.00 0.00 46.19 45.27 1s76 s LEU 246 CO 0.05 0.17 1.38 0.00 1.01 0.00 0.00 176.35 178.95 1s76 n ALA 247 N 2.93 1.77 0.02 4.21 0.00 -1.14 -4.80 120.51 123.49 1s76 n ALA 247 Ca -0.16 0.24 0.01 0.00 0.00 0.00 0.00 53.44 53.53 1s76 n ALA 247 Cb 0.54 -2.35 0.05 0.00 0.00 0.00 0.00 19.45 17.69 1s76 n ALA 247 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 1s76 n PRO 248 N -0.18 0.01 -0.07 0.00 -0.02 -1.26 -1.47 135.00 132.02 1s76 n PRO 248 Ca 0.06 0.41 -0.08 0.00 -2.02 0.00 0.00 63.50 61.87 1s76 n PRO 248 Cb 0.41 -1.67 -0.08 0.00 -0.02 0.00 0.00 33.50 32.14 1s76 n PRO 248 CO 0.00 0.00 0.00 -0.85 1.98 0.00 0.00 175.50 176.63 1s76 n GLU 249 N -1.47 1.33 -0.38 -0.52 0.28 -1.26 -3.75 120.64 114.86 1s76 n GLU 249 Ca -0.00 0.04 0.05 0.00 -0.16 0.00 0.00 57.16 57.08 1s76 n GLU 249 Cb 0.13 -1.30 0.21 0.00 1.43 0.00 0.00 31.44 31.90 1s76 n GLU 249 CO 0.00 0.00 0.00 0.66 -0.16 0.00 0.00 177.13 177.63 1s76 n TYR 250 N -2.66 0.91 0.00 -1.84 0.53 -0.55 -2.45 117.16 111.10 1s76 n TYR 250 Ca -0.22 -0.35 0.00 0.00 -1.02 0.00 0.00 57.90 56.31 1s76 n TYR 250 Cb 0.84 -0.20 0.00 0.00 -1.03 0.00 0.00 39.34 38.95 1s76 n TYR 250 CO 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 176.86 175.84 1s76 n ALA 251 N 0.47 2.02 0.18 -0.72 0.00 -0.54 -4.62 120.51 117.30 1s76 n ALA 251 Ca 0.15 0.00 0.05 0.00 0.00 0.00 0.00 53.44 53.63 1s76 n ALA 251 Cb 0.60 0.48 0.32 0.00 0.00 0.00 0.00 19.45 20.85 1s76 n ALA 251 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 1s76 h GLU 252 N 0.00 0.00 -0.30 0.00 5.08 -1.64 -3.01 114.58 114.70 1s76 h GLU 252 Ca 0.00 0.00 -0.10 0.00 -1.00 0.00 0.00 59.36 58.26 1s76 h GLU 252 Cb 0.96 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.21 1s76 h GLU 252 CO 0.00 0.41 -0.20 0.00 -1.00 0.00 0.00 179.01 178.21 1s76 h ALA 253 N 1.59 0.42 0.00 3.43 0.00 -1.75 0.50 119.26 123.45 1s76 h ALA 253 Ca -0.00 -0.36 -0.02 0.00 0.00 0.00 0.00 54.91 54.52 1s76 h ALA 253 Cb 0.91 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.60 1s76 h ALA 253 CO 0.05 0.37 -0.11 0.82 0.00 0.00 0.00 179.25 180.39 1s76 h ILE 254 N 0.41 0.21 0.00 0.00 2.04 -1.76 0.24 117.51 118.66 1s76 h ILE 254 Ca 0.06 -1.05 -0.04 0.00 1.00 0.00 0.00 64.86 64.82 1s76 h ILE 254 Cb 0.75 1.88 -0.01 0.00 -0.74 0.00 0.00 36.82 38.71 1s76 h ILE 254 CO 0.06 0.10 -0.74 0.00 0.00 0.00 0.00 178.15 177.57 1s76 h ALA 255 N 1.89 0.68 0.00 1.87 0.00 -1.33 -2.59 119.26 119.78 1s76 h ALA 255 Ca -0.00 -0.20 -0.03 0.00 0.00 0.00 0.00 54.91 54.68 1s76 h ALA 255 Cb 0.88 0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.70 1s76 h ALA 255 CO 0.01 0.23 -0.18 1.15 0.00 0.00 0.00 179.25 180.47 1s76 h THR 256 N 0.00 1.32 -0.82 0.00 2.02 0.41 -3.03 112.91 112.80 1s76 h THR 256 Ca -0.03 -2.05 0.15 0.00 0.77 0.00 0.00 66.41 65.26 1s76 h THR 256 Cb 1.15 2.55 -0.06 0.00 -1.74 0.00 0.00 68.15 70.05 1s76 h THR 256 CO 0.02 0.45 0.54 -0.09 0.37 0.00 0.00 175.52 176.80 1s76 h ARG 257 N -1.00 0.49 0.13 6.66 1.12 -0.64 -0.97 114.38 120.18 1s76 h ARG 257 Ca -0.04 -0.03 -0.01 0.00 -1.11 0.00 0.00 59.98 58.79 1s76 h ARG 257 Cb 0.85 -0.11 0.00 0.00 -0.01 0.00 0.00 29.97 30.70 1s76 h ARG 257 CO -0.03 0.33 -0.06 0.00 -3.11 0.00 0.00 179.97 177.10 1s76 h ALA 258 N 1.62 -0.98 -0.98 2.80 0.00 -1.53 -0.24 119.26 119.95 1s76 h ALA 258 Ca 0.41 -0.04 0.38 0.00 0.00 0.00 0.00 54.91 55.66 1s76 h ALA 258 Cb 0.84 0.07 -0.18 0.00 0.00 0.00 0.00 17.79 18.52 1s76 h ALA 258 CO -0.16 -0.97 0.40 0.41 0.00 0.00 0.00 179.25 178.94 1s76 n GLY 259 N -0.90 -0.88 0.00 0.00 0.00 -0.90 0.20 105.19 102.72 1s76 n GLY 259 Ca -0.02 0.83 0.00 0.00 0.00 0.00 0.00 46.02 46.83 1s76 n GLY 259 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1s76 n ALA 260 N -2.49 -0.23 -0.30 4.61 0.00 -0.42 -3.09 120.51 118.59 1s76 n ALA 260 Ca 0.34 0.00 0.03 0.00 0.00 0.00 0.00 53.44 53.81 1s76 n ALA 260 Cb 1.14 0.08 0.10 0.00 0.00 0.00 0.00 19.45 20.77 1s76 n ALA 260 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1s76 h LEU 261 N 0.00 -0.84 -0.87 0.00 3.38 0.11 -2.15 115.31 114.94 1s76 h LEU 261 Ca 0.00 0.26 0.23 0.00 0.09 0.00 0.00 57.88 58.46 1s76 h LEU 261 Cb 0.00 0.54 -0.16 0.00 0.09 0.00 0.00 40.66 41.13 1s76 h LEU 261 CO 0.00 -0.28 -0.03 0.00 0.09 0.00 0.00 178.44 178.22 1s76 n ALA 262 N -3.41 0.40 -1.66 1.53 0.00 0.13 -1.56 120.51 115.95 1s76 n ALA 262 Ca 0.12 0.94 -0.36 0.00 0.00 0.00 0.00 53.44 54.14 1s76 n ALA 262 Cb 0.43 -0.66 0.04 0.00 0.00 0.00 0.00 19.45 19.26 1s76 n ALA 262 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1s76 n GLY 263 N -1.46 5.42 0.49 0.00 0.00 -0.81 -3.17 105.19 105.67 1s76 n GLY 263 Ca 0.19 -2.30 0.00 0.00 0.00 0.00 0.00 46.02 43.91 1s76 n GLY 263 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1s76 n ILE 264 N -0.45 0.00 -3.03 -0.61 -6.64 -0.60 -4.90 119.36 103.12 1s76 n ILE 264 Ca 0.55 0.00 -0.15 0.00 -1.77 0.00 0.00 62.75 61.38 1s76 n ILE 264 Cb 0.40 0.41 0.00 0.00 -1.44 0.00 0.00 39.64 39.02 1s76 n ILE 264 CO 0.00 0.00 0.00 -1.54 -1.77 0.00 0.00 176.55 173.24 1s76 n SER 265 N 0.00 0.16 -4.77 7.28 3.41 -1.26 -5.12 113.62 113.32 1s76 n SER 265 Ca 0.00 -3.11 -0.38 0.00 -0.26 0.00 0.00 58.87 55.12 1s76 n SER 265 Cb 0.66 -0.04 -0.02 0.00 -0.26 0.00 0.00 64.21 64.54 1s76 n SER 265 CO 0.00 0.00 0.00 -2.16 -0.16 0.00 0.00 175.04 172.72 1s76 s PRO 266 N -1.87 4.15 -1.29 4.33 0.04 -1.26 -4.50 135.00 134.59 1s76 s PRO 266 Ca 0.35 1.82 -0.17 0.00 0.04 0.00 0.00 61.00 63.03 1s76 s PRO 266 Cb 0.35 -2.74 0.09 0.00 0.04 0.00 0.00 34.50 32.24 1s76 s PRO 266 CO -0.06 -0.23 1.71 -1.33 0.04 0.00 0.00 177.00 177.12 1s76 n MET 267 N 0.22 3.22 -1.62 4.56 2.81 -0.56 -4.92 117.12 120.83 1s76 n MET 267 Ca 0.04 -3.36 -0.48 0.00 -1.81 0.00 0.00 57.70 52.09 1s76 n MET 267 Cb 0.46 -3.41 -0.04 0.00 -0.71 0.00 0.00 33.22 29.52 1s76 n MET 267 CO 0.00 0.00 0.00 1.19 1.51 0.00 0.00 175.97 178.67 1s76 n PHE 268 N 7.83 1.75 -4.50 2.03 3.72 -1.26 -4.57 117.46 122.46 1s76 n PHE 268 Ca 0.47 0.53 -0.26 0.00 -0.05 0.00 0.00 57.45 58.14 1s76 n PHE 268 Cb 0.45 -2.39 -0.10 0.00 -0.94 0.00 0.00 39.48 36.50 1s76 n PHE 268 CO 0.00 0.00 0.00 -0.65 -0.05 0.00 0.00 176.76 176.06 1s76 s GLN 269 N 0.06 1.87 1.38 -1.08 -0.21 -1.26 -2.86 119.66 117.57 1s76 s GLN 269 Ca 0.76 -1.90 -0.22 0.00 0.02 0.00 0.00 55.36 54.02 1s76 s GLN 269 Cb -0.79 -1.75 0.35 0.00 1.00 0.00 0.00 33.01 31.82 1s76 s GLN 269 CO 0.48 0.14 0.95 -1.25 -2.12 0.00 0.00 175.29 173.49 1s76 s PRO 270 N -3.63 -2.62 0.12 2.91 0.04 -1.26 -4.76 135.00 125.79 1s76 s PRO 270 Ca 0.33 0.18 0.05 0.00 0.04 0.00 0.00 61.00 61.59 1s76 s PRO 270 Cb 0.02 -1.41 -0.04 0.00 0.04 0.00 0.00 34.50 33.11 1s76 s PRO 270 CO 0.17 -4.68 0.06 0.00 0.04 0.00 0.00 177.00 172.59 1s76 n VAL 272 N 0.16 0.00 -4.08 0.00 0.24 -1.26 -0.93 118.33 112.46 1s76 n VAL 272 Ca -0.09 -0.22 -0.08 0.00 -2.04 0.00 0.00 64.34 61.91 1s76 n VAL 272 Cb 0.53 0.84 -0.10 0.00 -1.47 0.00 0.00 33.84 33.65 1s76 n VAL 272 CO 0.00 0.00 0.00 0.68 -2.14 0.00 0.00 176.83 175.37 1s76 s VAL 273 N -2.41 0.17 0.40 3.34 -7.23 -1.26 -4.84 120.40 108.56 1s76 s VAL 273 Ca 0.23 -1.76 -0.25 0.00 -1.81 0.00 0.00 61.98 58.40 1s76 s VAL 273 Cb 0.19 -1.68 -0.11 0.00 0.56 0.00 0.00 36.38 35.33 1s76 s VAL 273 CO 0.51 -0.76 0.95 -2.65 -0.31 0.00 0.00 175.10 172.84 1s76 n PRO 274 N 0.01 1.25 -0.63 4.82 -0.02 -1.26 -4.62 135.00 134.55 1s76 n PRO 274 Ca -0.11 0.45 -0.31 0.00 -2.02 0.00 0.00 63.50 61.51 1s76 n PRO 274 Cb 0.62 -1.94 0.19 0.00 -0.02 0.00 0.00 33.50 32.35 1s76 n PRO 274 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 1s76 n PRO 275 N 0.29 -0.95 -2.45 0.52 -0.02 -1.26 -4.92 135.00 126.21 1s76 n PRO 275 Ca 0.10 -0.22 -0.42 0.00 -2.02 0.00 0.00 63.50 60.93 1s76 n PRO 275 Cb 0.38 -2.29 -0.03 0.00 -0.02 0.00 0.00 33.50 31.54 1s76 n PRO 275 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 1s76 s LYS 276 N -4.50 4.33 0.52 -0.52 2.20 0.14 -4.89 119.74 117.02 1s76 s LYS 276 Ca 0.67 1.67 -0.22 0.00 -0.36 0.00 0.00 55.97 57.72 1s76 s LYS 276 Cb -0.23 -3.59 -0.06 0.00 -1.51 0.00 0.00 37.83 32.44 1s76 s LYS 276 CO 0.60 -0.49 1.28 -2.30 -0.36 0.00 0.00 175.35 174.08 1s76 n PRO 277 N 5.41 1.63 -3.06 4.03 -0.02 -1.26 -1.62 135.00 140.12 1s76 n PRO 277 Ca 0.11 0.60 -0.40 0.00 -2.02 0.00 0.00 63.50 61.80 1s76 n PRO 277 Cb 0.46 -2.46 -0.05 0.00 -0.02 0.00 0.00 33.50 31.43 1s76 n PRO 277 CO 0.00 0.00 0.00 -1.58 1.98 0.00 0.00 175.50 175.90 1s76 s TRP 278 N -1.30 3.63 0.00 6.00 0.52 -1.26 -4.71 118.94 121.81 1s76 s TRP 278 Ca 0.69 1.28 0.00 0.00 0.02 0.00 0.00 56.10 58.10 1s76 s TRP 278 Cb -0.44 -2.78 0.00 0.00 -1.15 0.00 0.00 33.47 29.10 1s76 s TRP 278 CO 0.51 0.17 0.57 0.25 0.02 0.00 0.00 176.95 178.46 1s76 n THR 279 N 3.42 0.29 -3.67 2.01 -2.24 -1.26 -4.98 114.28 107.84 1s76 n THR 279 Ca -0.02 -0.33 -0.02 0.00 -2.27 0.00 0.00 64.05 61.41 1s76 n THR 279 Cb 0.51 1.01 -0.01 0.00 -2.10 0.00 0.00 70.33 69.74 1s76 n THR 279 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1s76 s GLY 280 N -0.29 -0.33 0.00 3.38 0.00 -1.26 -5.00 107.32 103.82 1s76 s GLY 280 Ca 0.00 0.51 0.00 0.00 0.00 0.00 0.00 44.72 45.23 1s76 s GLY 280 CO 0.00 0.11 0.87 0.29 0.00 0.00 0.00 173.10 174.37 1s76 n ILE 281 N -0.44 1.52 -3.83 0.90 -0.00 -1.26 -4.63 119.36 111.62 1s76 n ILE 281 Ca -0.07 0.41 -0.11 0.00 -0.00 0.00 0.00 62.75 62.98 1s76 n ILE 281 Cb 0.62 -1.41 -0.09 0.00 -0.00 0.00 0.00 39.64 38.76 1s76 n ILE 281 CO 0.00 0.00 0.00 0.42 -0.00 0.00 0.00 176.55 176.97 1s76 s THR 282 N -2.75 0.09 0.00 7.28 -4.23 -1.26 -0.45 115.64 114.32 1s76 s THR 282 Ca 0.00 -0.74 0.00 0.00 -1.18 0.00 0.00 61.69 59.77 1s76 s THR 282 Cb 0.00 -0.71 0.00 0.00 1.34 0.00 0.00 72.50 73.13 1s76 s THR 282 CO 0.00 -0.41 0.00 0.61 -0.54 0.00 0.00 174.62 174.28 1s76 n GLY 283 N 1.02 0.99 3.98 3.99 0.00 -0.29 -4.80 105.19 110.07 1s76 n GLY 283 Ca -0.21 -0.01 -0.20 0.00 0.00 0.00 0.00 46.02 45.61 1s76 n GLY 283 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1s76 s GLY 284 N -2.01 1.70 0.00 -0.02 0.00 -1.26 -4.77 107.32 100.97 1s76 s GLY 284 Ca 0.00 -1.36 0.00 0.00 0.00 0.00 0.00 44.72 43.36 1s76 s GLY 284 CO 0.00 -1.20 0.00 0.61 0.00 0.00 0.00 173.10 172.51 1s76 n GLY 285 N -1.94 1.57 3.88 0.20 0.00 -0.64 -4.50 105.19 103.75 1s76 n GLY 285 Ca 0.03 -0.31 -0.30 0.00 0.00 0.00 0.00 46.02 45.45 1s76 n GLY 285 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1s76 s TYR 286 N 0.00 3.46 -0.05 1.61 1.51 -1.26 0.23 117.35 122.85 1s76 s TYR 286 Ca 0.00 0.98 0.03 0.00 -1.01 0.00 0.00 57.07 57.08 1s76 s TYR 286 Cb 0.00 -2.39 -0.25 0.00 -0.11 0.00 0.00 41.96 39.21 1s76 s TYR 286 CO 0.00 -0.04 0.64 -1.49 -1.11 0.00 0.00 175.55 173.55 1s76 h TRP 287 N 1.41 0.25 -2.18 2.71 4.06 -1.91 -3.44 115.95 116.86 1s76 h TRP 287 Ca -0.47 -0.18 -0.58 0.00 2.06 0.00 0.00 58.89 59.72 1s76 h TRP 287 Cb 1.19 -0.01 0.02 0.00 -1.00 0.00 0.00 29.16 29.36 1s76 h TRP 287 CO 0.60 1.32 1.14 0.00 -3.56 0.00 0.00 178.44 177.94 1s76 n ALA 288 N -2.70 1.22 -2.66 1.49 0.00 -1.26 -4.80 120.51 111.79 1s76 n ALA 288 Ca -0.21 0.26 -0.42 0.00 0.00 0.00 0.00 53.44 53.08 1s76 n ALA 288 Cb 1.04 -2.57 -0.03 0.00 0.00 0.00 0.00 19.45 17.90 1s76 n ALA 288 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 1s76 s ASN 289 N 4.04 6.34 0.54 0.00 0.01 -1.26 -4.98 114.94 119.62 1s76 s ASN 289 Ca 0.90 -1.09 0.08 0.00 -0.71 0.00 0.00 52.86 52.04 1s76 s ASN 289 Cb -0.59 -2.51 0.05 0.00 0.41 0.00 0.00 41.25 38.61 1s76 s ASN 289 CO 0.47 -1.55 0.58 -0.83 -1.51 0.00 0.00 177.10 174.26 1s76 s GLY 290 N 4.11 2.05 0.37 0.66 0.00 -1.26 -5.01 107.32 108.24 1s76 s GLY 290 Ca 0.36 -1.72 0.13 0.00 0.00 0.00 0.00 44.72 43.48 1s76 s GLY 290 CO 0.03 -1.79 1.82 3.21 0.00 0.00 0.00 173.10 176.37 1s76 h ARG 291 N 0.53 0.00 -2.91 2.90 3.08 -1.98 -3.27 114.38 112.73 1s76 h ARG 291 Ca -0.34 0.00 -0.67 0.00 0.07 0.00 0.00 59.98 59.04 1s76 h ARG 291 Cb 1.29 0.00 -0.38 0.00 0.08 0.00 0.00 29.97 30.96 1s76 h ARG 291 CO 0.50 0.38 -0.25 0.54 -1.07 0.00 0.00 179.97 180.07 1s76 n ARG 292 N -4.06 2.62 -0.48 0.04 5.12 -1.26 -5.09 116.66 113.56 1s76 n ARG 292 Ca -0.02 -4.55 -0.30 0.00 -1.93 0.00 0.00 57.85 51.06 1s76 n ARG 292 Cb 0.41 -2.35 0.27 0.00 -1.16 0.00 0.00 32.46 29.64 1s76 n ARG 292 CO 0.00 0.00 0.00 -1.25 -1.93 0.00 0.00 177.63 174.45 1s76 s PRO 293 N -1.87 -2.22 0.20 5.56 0.04 -1.24 -5.00 135.00 130.48 1s76 s PRO 293 Ca 0.31 0.34 -0.18 0.00 0.04 0.00 0.00 61.00 61.50 1s76 s PRO 293 Cb 0.01 -1.44 -0.08 0.00 0.04 0.00 0.00 34.50 33.03 1s76 s PRO 293 CO -0.08 -4.45 0.68 -1.17 0.04 0.00 0.00 177.00 172.02 1s76 s LEU 294 N -7.60 4.34 0.01 -3.56 2.96 -1.26 -4.87 118.68 108.71 1s76 s LEU 294 Ca 0.69 1.34 0.03 0.00 -0.22 0.00 0.00 54.13 55.97 1s76 s LEU 294 Cb -0.17 -3.51 -0.03 0.00 0.50 0.00 0.00 46.19 42.98 1s76 s LEU 294 CO 0.60 0.05 -0.06 0.00 -1.32 0.00 0.00 176.35 175.62 1s76 s ALA 295 N -1.50 3.06 0.23 5.97 0.00 -1.26 -1.14 121.76 127.10 1s76 s ALA 295 Ca 0.42 -1.02 -0.03 0.00 0.00 0.00 0.00 51.96 51.32 1s76 s ALA 295 Cb -0.16 -1.15 0.22 0.00 0.00 0.00 0.00 23.12 22.03 1s76 s ALA 295 CO 0.21 0.62 1.65 1.25 0.00 0.00 0.00 175.76 179.49 1s76 h LEU 296 N 4.45 0.75 -8.58 0.00 5.85 -1.05 -3.42 115.31 113.32 1s76 h LEU 296 Ca -0.48 -0.26 -0.65 0.00 0.84 0.00 0.00 57.88 57.32 1s76 h LEU 296 Cb 1.17 -0.21 -0.27 0.00 0.37 0.00 0.00 40.66 41.73 1s76 h LEU 296 CO 0.54 0.94 -0.74 -0.69 -0.34 0.00 0.00 178.44 178.15 1s76 s VAL 297 N -4.63 3.21 -1.28 1.05 1.01 -1.26 -0.08 120.40 118.41 1s76 s VAL 297 Ca -0.09 -0.59 -0.19 0.00 0.00 0.00 0.00 61.98 61.11 1s76 s VAL 297 Cb 0.13 -2.38 0.04 0.00 0.00 0.00 0.00 36.38 34.17 1s76 s VAL 297 CO 0.83 0.50 1.79 0.54 0.00 0.00 0.00 175.10 178.75 1s76 n ARG 298 N 3.87 2.90 -2.77 2.72 1.74 0.47 -4.93 116.66 120.66 1s76 n ARG 298 Ca -0.18 -3.11 -0.22 0.00 -0.77 0.00 0.00 57.85 53.57 1s76 n ARG 298 Cb 0.52 -3.53 0.03 0.00 -1.02 0.00 0.00 32.46 28.45 1s76 n ARG 298 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 1s76 s THR 299 N 5.43 3.24 -0.26 0.55 -4.23 -1.26 -4.36 115.64 114.75 1s76 s THR 299 Ca 0.56 -0.58 -0.11 0.00 -1.18 0.00 0.00 61.69 60.38 1s76 s THR 299 Cb 0.03 -3.21 -0.15 0.00 1.34 0.00 0.00 72.50 70.52 1s76 s THR 299 CO 0.09 -0.15 -0.21 1.41 -0.54 0.00 0.00 174.62 175.22 1s76 n HIS 300 N -2.24 0.22 -3.60 3.99 -0.00 -1.26 -4.93 115.22 107.39 1s76 n HIS 300 Ca 0.05 0.08 -0.37 0.00 -0.00 0.00 0.00 57.72 57.48 1s76 n HIS 300 Cb 0.59 -1.02 -0.06 0.00 -0.00 0.00 0.00 29.99 29.49 1s76 n HIS 300 CO 0.00 0.00 0.00 -1.54 -0.00 0.00 0.00 176.34 174.80 1s76 s SER 301 N -7.18 6.56 0.47 0.41 1.04 -1.26 -4.94 113.70 108.79 1s76 s SER 301 Ca -0.36 0.66 0.20 0.00 0.48 0.00 0.00 55.95 56.93 1s76 s SER 301 Cb 0.12 -2.18 1.19 0.00 0.10 0.00 0.00 66.02 65.25 1s76 s SER 301 CO 0.54 0.25 1.95 0.50 0.98 0.00 0.00 173.24 177.46 1s76 h LYS 302 N 5.60 0.24 -0.79 4.02 3.64 -2.00 0.47 116.57 127.76 1s76 h LYS 302 Ca -0.48 -0.01 0.03 0.00 -1.27 0.00 0.00 60.65 58.91 1s76 h LYS 302 Cb 1.20 -0.05 -0.05 0.00 -0.41 0.00 0.00 32.23 32.92 1s76 h LYS 302 CO 0.67 0.16 0.51 0.87 -2.27 0.00 0.00 179.45 179.38 1s76 h LYS 303 N 0.25 0.97 -0.94 1.90 6.56 -1.99 -0.49 116.57 122.83 1s76 h LYS 303 Ca 0.32 -0.06 -0.01 0.00 -1.06 0.00 0.00 60.65 59.85 1s76 h LYS 303 Cb 0.92 -0.22 -0.05 0.00 -0.57 0.00 0.00 32.23 32.32 1s76 h LYS 303 CO -0.07 0.64 0.56 0.00 -2.06 0.00 0.00 179.45 178.52 1s76 h ALA 304 N 1.32 1.21 -0.09 3.86 0.00 -0.45 -2.50 119.26 122.61 1s76 h ALA 304 Ca 0.31 -0.11 -0.06 0.00 0.00 0.00 0.00 54.91 55.05 1s76 h ALA 304 Cb -0.02 -0.38 0.00 0.00 0.00 0.00 0.00 17.79 17.39 1s76 h ALA 304 CO -0.10 0.67 -0.17 1.25 0.00 0.00 0.00 179.25 180.90 1s76 h LEU 305 N 1.31 0.30 -2.06 0.00 5.85 -1.02 -2.97 115.31 116.73 1s76 h LEU 305 Ca 0.34 -0.56 0.00 0.00 0.84 0.00 0.00 57.88 58.50 1s76 h LEU 305 Cb -0.04 -0.09 0.00 0.00 0.37 0.00 0.00 40.66 40.90 1s76 h LEU 305 CO -0.06 0.81 0.02 0.24 -0.34 0.00 0.00 178.44 179.10 1s76 h MET 306 N -0.19 0.00 0.00 1.25 2.86 -0.96 0.13 114.93 118.02 1s76 h MET 306 Ca 0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 1s76 h MET 306 Cb 0.76 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.42 1s76 h MET 306 CO 0.04 0.00 0.00 -0.09 1.06 0.00 0.00 176.91 177.92 1s76 h ARG 307 N 0.00 0.00 0.00 1.72 2.43 -1.27 0.43 114.38 117.69 1s76 h ARG 307 Ca 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1s76 h ARG 307 Cb 0.04 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.59 1s76 h ARG 307 CO 0.00 0.00 -1.25 0.66 -1.51 0.00 0.00 179.97 177.87 1s76 n TYR 308 N -2.84 0.16 -0.18 2.20 4.02 0.45 -4.57 117.16 116.41 1s76 n TYR 308 Ca -0.01 0.05 0.04 0.00 -0.01 0.00 0.00 57.90 57.96 1s76 n TYR 308 Cb 0.15 -0.37 0.08 0.00 -0.02 0.00 0.00 39.34 39.19 1s76 n TYR 308 CO 0.00 0.00 0.00 -1.91 -1.01 0.00 0.00 176.86 173.94 1s76 n GLU 309 N -1.95 -0.04 -0.02 -0.72 4.07 0.14 -1.37 120.64 120.75 1s76 n GLU 309 Ca 0.01 0.78 0.02 0.00 -0.06 0.00 0.00 57.16 57.92 1s76 n GLU 309 Cb 0.45 -1.18 0.03 0.00 -0.06 0.00 0.00 31.44 30.68 1s76 n GLU 309 CO 0.00 0.00 0.00 -0.25 -0.06 0.00 0.00 177.13 176.82 1s76 n ASP 310 N -4.79 1.99 -4.72 4.31 9.92 -1.26 -4.82 116.55 117.17 1s76 n ASP 310 Ca 0.09 -2.22 -0.42 0.00 -0.53 0.00 0.00 54.79 51.71 1s76 n ASP 310 Cb 0.27 -0.10 -0.03 0.00 -0.64 0.00 0.00 41.12 40.62 1s76 n ASP 310 CO 0.00 0.00 0.00 0.68 0.13 0.00 0.00 177.20 178.01 1s76 s VAL 311 N -1.40 3.74 -0.35 2.53 -7.23 -0.47 -4.97 120.40 112.25 1s76 s VAL 311 Ca 0.07 1.33 -0.22 0.00 -1.81 0.00 0.00 61.98 61.35 1s76 s VAL 311 Cb 0.07 -3.85 0.01 0.00 0.56 0.00 0.00 36.38 33.16 1s76 s VAL 311 CO 0.01 0.15 0.75 -0.47 -0.31 0.00 0.00 175.10 175.22 1s76 s TYR 312 N 0.60 3.13 -0.41 2.82 5.04 -1.26 -4.92 117.35 122.36 1s76 s TYR 312 Ca 0.57 0.54 0.09 0.00 -2.44 0.00 0.00 57.07 55.83 1s76 s TYR 312 Cb -0.32 -3.31 0.34 0.00 0.35 0.00 0.00 41.96 39.02 1s76 s TYR 312 CO 0.32 -0.69 0.93 0.00 -1.34 0.00 0.00 175.55 174.78 1s76 n MET 313 N 6.30 1.00 -0.25 4.97 0.00 -1.26 -4.99 117.12 122.89 1s76 n MET 313 Ca 0.02 -2.66 0.05 0.00 0.00 0.00 0.00 57.70 55.11 1s76 n MET 313 Cb 0.48 -1.34 0.16 0.00 0.00 0.00 0.00 33.22 32.53 1s76 n MET 313 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 175.97 174.97 1s76 h PRO 314 N 2.97 0.12 -0.12 3.17 0.13 -1.91 -1.19 132.00 135.18 1s76 h PRO 314 Ca -0.01 -0.01 -0.02 0.00 -0.87 0.00 0.00 66.00 65.10 1s76 h PRO 314 Cb 1.04 -0.03 -0.01 0.00 0.13 0.00 0.00 31.00 32.14 1s76 h PRO 314 CO 0.31 0.08 -0.02 0.93 -0.23 0.00 0.00 178.00 179.08 1s76 h GLU 315 N 0.13 0.16 0.02 0.86 4.39 -1.96 -1.31 114.58 116.87 1s76 h GLU 315 Ca 0.41 -0.02 -0.00 0.00 0.34 0.00 0.00 59.36 60.09 1s76 h GLU 315 Cb 0.72 -0.03 0.00 0.00 -0.10 0.00 0.00 28.75 29.34 1s76 h GLU 315 CO -0.63 0.20 -0.01 0.28 -1.16 0.00 0.00 179.01 177.69 1s76 h VAL 316 N 0.16 1.35 -0.23 3.13 2.07 -1.38 -2.24 116.25 119.11 1s76 h VAL 316 Ca 0.04 -1.15 0.07 0.00 0.82 0.00 0.00 66.70 66.48 1s76 h VAL 316 Cb 0.14 2.13 -0.01 0.00 -1.52 0.00 0.00 31.29 32.03 1s76 h VAL 316 CO 0.00 0.29 0.20 1.88 0.02 0.00 0.00 177.57 179.97 1s76 h TYR 317 N -0.52 0.00 0.21 1.57 0.05 -1.08 -2.17 116.97 115.02 1s76 h TYR 317 Ca -0.00 0.00 -0.31 0.00 0.05 0.00 0.00 58.73 58.47 1s76 h TYR 317 Cb 0.50 0.00 0.03 0.00 1.01 0.00 0.00 36.73 38.27 1s76 h TYR 317 CO 0.10 0.00 -1.33 0.87 -1.05 0.00 0.00 178.16 176.75 1s76 h LYS 318 N 0.00 0.54 0.82 4.88 1.57 -1.10 -2.31 116.57 120.97 1s76 h LYS 318 Ca 0.11 -0.85 -0.04 0.00 -1.87 0.00 0.00 60.65 58.00 1s76 h LYS 318 Cb 0.52 0.31 -0.00 0.00 0.08 0.00 0.00 32.23 33.14 1s76 h LYS 318 CO -0.00 1.40 -0.49 0.00 -0.57 0.00 0.00 179.45 179.79 1s76 h ALA 319 N 0.18 -1.29 -0.70 3.86 0.00 -0.78 0.17 119.26 120.70 1s76 h ALA 319 Ca -0.23 -0.26 0.15 0.00 0.00 0.00 0.00 54.91 54.58 1s76 h ALA 319 Cb 2.03 0.60 -0.12 0.00 0.00 0.00 0.00 17.79 20.30 1s76 h ALA 319 CO 0.25 -1.24 0.01 0.82 0.00 0.00 0.00 179.25 179.10 1s76 h ILE 320 N -1.23 0.41 0.40 0.00 1.08 -1.58 0.28 117.51 116.89 1s76 h ILE 320 Ca -0.11 -0.04 -0.02 0.00 -0.39 0.00 0.00 64.86 64.30 1s76 h ILE 320 Cb 0.98 0.28 0.00 0.00 -3.07 0.00 0.00 36.82 35.01 1s76 h ILE 320 CO 0.12 0.02 -0.19 0.78 -0.69 0.00 0.00 178.15 178.19 1s76 h ASN 321 N 0.12 -0.46 -0.85 1.72 -0.26 -1.19 -1.96 115.58 112.71 1s76 h ASN 321 Ca 0.37 0.02 0.14 0.00 -0.56 0.00 0.00 56.30 56.28 1s76 h ASN 321 Cb 0.64 0.12 -0.15 0.00 -1.06 0.00 0.00 38.32 37.87 1s76 h ASN 321 CO -0.60 -0.27 -0.34 0.40 -1.06 0.00 0.00 177.43 175.56 1s76 h ILE 322 N -0.65 0.08 -0.50 2.81 2.04 -0.29 0.14 117.51 121.15 1s76 h ILE 322 Ca -0.06 0.00 0.04 0.00 1.00 0.00 0.00 64.86 65.84 1s76 h ILE 322 Cb 0.41 0.08 -0.03 0.00 -0.74 0.00 0.00 36.82 36.54 1s76 h ILE 322 CO 0.09 0.00 0.33 0.00 0.00 0.00 0.00 178.15 178.57 1s76 h ALA 323 N 1.38 1.79 -0.00 1.87 0.00 -0.45 -1.63 119.26 122.21 1s76 h ALA 323 Ca 0.33 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.22 1s76 h ALA 323 Cb 0.60 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.24 1s76 h ALA 323 CO -0.88 0.15 -0.15 0.00 0.00 0.00 0.00 179.25 178.37 1s76 n GLN 324 N -4.47 0.01 -0.10 0.00 10.64 0.44 -3.09 117.38 120.80 1s76 n GLN 324 Ca 0.06 -0.00 0.07 0.00 -1.83 0.00 0.00 57.00 55.30 1s76 n GLN 324 Cb 0.16 -1.50 0.27 0.00 -0.86 0.00 0.00 30.24 28.31 1s76 n GLN 324 CO 0.00 0.00 0.00 0.09 -1.83 0.00 0.00 177.06 175.32 1s76 n ASN 325 N -1.49 1.39 -4.64 2.61 4.13 -0.61 -4.26 115.26 112.38 1s76 n ASN 325 Ca 0.07 -1.82 -0.43 0.00 1.68 0.00 0.00 54.58 54.08 1s76 n ASN 325 Cb 0.34 -0.13 -0.02 0.00 -1.54 0.00 0.00 39.78 38.42 1s76 n ASN 325 CO 0.00 0.00 0.00 -0.89 0.28 0.00 0.00 177.26 176.65 1s76 s THR 326 N -1.73 4.16 -0.19 3.41 2.01 -1.18 -4.98 115.64 117.14 1s76 s THR 326 Ca 0.25 1.36 -0.26 0.00 0.31 0.00 0.00 61.69 63.35 1s76 s THR 326 Cb 0.13 -4.06 -0.01 0.00 0.01 0.00 0.00 72.50 68.58 1s76 s THR 326 CO 0.19 -0.32 0.86 0.00 -0.69 0.00 0.00 174.62 174.66 1s76 s ALA 327 N 4.07 3.56 0.33 7.40 0.00 -1.26 -4.59 121.76 131.27 1s76 s ALA 327 Ca 0.57 0.02 0.08 0.00 0.00 0.00 0.00 51.96 52.63 1s76 s ALA 327 Cb -0.19 -3.28 -0.04 0.00 0.00 0.00 0.00 23.12 19.60 1s76 s ALA 327 CO 0.20 -0.76 0.13 -1.58 0.00 0.00 0.00 175.76 173.76 1s76 s TRP 328 N 2.42 2.72 0.01 0.00 0.52 0.18 0.11 118.94 124.90 1s76 s TRP 328 Ca 0.38 -0.36 -0.16 0.00 0.02 0.00 0.00 56.10 55.99 1s76 s TRP 328 Cb -0.16 -1.60 0.03 0.00 -1.15 0.00 0.00 33.47 30.58 1s76 s TRP 328 CO 0.11 0.36 0.34 -1.59 0.02 0.00 0.00 176.95 176.19 1s76 s LYS 329 N -3.83 0.77 0.42 4.98 -2.85 0.12 0.21 119.74 119.56 1s76 s LYS 329 Ca 0.37 -0.29 -0.25 0.00 -1.00 0.00 0.00 55.97 54.80 1s76 s LYS 329 Cb -0.03 0.34 -0.08 0.00 -2.06 0.00 0.00 37.83 36.00 1s76 s LYS 329 CO 0.23 -0.23 1.20 0.42 0.10 0.00 0.00 175.35 177.07 1s76 s ILE 330 N -1.87 2.98 -0.90 3.79 -1.09 -1.26 -1.88 121.20 120.97 1s76 s ILE 330 Ca -0.10 0.80 -0.17 0.00 -2.23 0.00 0.00 60.65 58.96 1s76 s ILE 330 Cb -0.03 -3.44 0.16 0.00 -1.58 0.00 0.00 42.46 37.57 1s76 s ILE 330 CO 0.01 0.06 1.00 0.21 -1.23 0.00 0.00 174.94 174.99 1s76 s ASN 331 N -1.10 6.69 0.21 3.58 3.84 -0.51 -4.82 114.94 122.82 1s76 s ASN 331 Ca 0.59 -2.30 -0.14 0.00 0.21 0.00 0.00 52.86 51.22 1s76 s ASN 331 Cb -0.32 -2.33 0.24 0.00 -0.55 0.00 0.00 41.25 38.29 1s76 s ASN 331 CO 0.40 -0.88 1.61 0.11 -2.79 0.00 0.00 177.10 175.55 1s76 h LYS 332 N 8.43 -0.04 -0.63 0.43 1.57 -1.92 0.19 116.57 124.61 1s76 h LYS 332 Ca 0.14 0.00 0.05 0.00 -1.87 0.00 0.00 60.65 58.97 1s76 h LYS 332 Cb 1.03 0.01 -0.05 0.00 0.08 0.00 0.00 32.23 33.30 1s76 h LYS 332 CO 0.98 -0.03 0.36 0.87 -0.57 0.00 0.00 179.45 181.07 1s76 h LYS 333 N -0.04 0.66 -0.03 3.15 1.57 -2.00 0.17 116.57 120.06 1s76 h LYS 333 Ca 0.31 -0.04 -0.09 0.00 -1.87 0.00 0.00 60.65 58.96 1s76 h LYS 333 Cb 0.52 -0.15 -0.01 0.00 0.08 0.00 0.00 32.23 32.67 1s76 h LYS 333 CO -0.71 0.44 -0.39 0.28 -0.57 0.00 0.00 179.45 178.50 1s76 h VAL 334 N 0.68 1.29 -0.16 0.50 2.07 -1.54 -2.84 116.25 116.25 1s76 h VAL 334 Ca 0.27 -1.39 -0.03 0.00 0.82 0.00 0.00 66.70 66.38 1s76 h VAL 334 Cb 0.12 1.71 -0.01 0.00 -1.52 0.00 0.00 31.29 31.59 1s76 h VAL 334 CO -0.15 0.40 -0.00 0.25 0.02 0.00 0.00 177.57 178.09 1s76 h LEU 335 N 0.05 0.28 -0.46 2.57 6.46 0.86 -2.25 115.31 122.82 1s76 h LEU 335 Ca 0.00 -0.31 0.09 0.00 -0.12 0.00 0.00 57.88 57.55 1s76 h LEU 335 Cb 0.72 -0.08 -0.10 0.00 -0.73 0.00 0.00 40.66 40.48 1s76 h LEU 335 CO 0.05 0.52 -0.23 0.00 -0.62 0.00 0.00 178.44 178.17 1s76 h ALA 336 N 0.77 0.09 0.41 1.25 0.00 -0.49 0.14 119.26 121.42 1s76 h ALA 336 Ca 0.05 0.16 -0.02 0.00 0.00 0.00 0.00 54.91 55.09 1s76 h ALA 336 Cb 0.38 0.55 0.00 0.00 0.00 0.00 0.00 17.79 18.73 1s76 h ALA 336 CO 0.01 -0.58 -0.20 0.28 0.00 0.00 0.00 179.25 178.76 1s76 h VAL 337 N -0.13 0.00 -0.88 0.00 2.07 -1.50 -3.24 116.25 112.57 1s76 h VAL 337 Ca 0.22 -0.01 0.20 0.00 0.82 0.00 0.00 66.70 67.93 1s76 h VAL 337 Cb 0.47 0.00 -0.16 0.00 -1.52 0.00 0.00 31.29 30.08 1s76 h VAL 337 CO -0.54 0.00 -0.07 0.00 0.02 0.00 0.00 177.57 176.97 1s76 h ALA 338 N -1.73 0.83 -0.32 1.67 0.00 -1.13 0.41 119.26 118.99 1s76 h ALA 338 Ca -0.06 0.31 0.07 0.00 0.00 0.00 0.00 54.91 55.24 1s76 h ALA 338 Cb 0.42 0.57 -0.08 0.00 0.00 0.00 0.00 17.79 18.70 1s76 h ALA 338 CO 0.09 -0.46 -0.25 -0.91 0.00 0.00 0.00 179.25 177.73 1s76 h ASN 339 N 0.04 -0.82 0.15 0.00 2.35 -0.75 -2.37 115.58 114.18 1s76 h ASN 339 Ca 0.48 0.16 -0.24 0.00 -0.55 0.00 0.00 56.30 56.14 1s76 h ASN 339 Cb 0.85 0.40 0.02 0.00 0.05 0.00 0.00 38.32 39.63 1s76 h ASN 339 CO -0.84 -0.28 -1.11 -0.37 -1.65 0.00 0.00 177.43 173.18 1s76 h VAL 340 N -0.22 1.32 0.00 2.81 -1.51 -1.44 -3.35 116.25 113.86 1s76 h VAL 340 Ca 0.16 -2.51 0.00 0.00 -1.23 0.00 0.00 66.70 63.12 1s76 h VAL 340 Cb 0.47 3.02 0.00 0.00 -2.13 0.00 0.00 31.29 32.65 1s76 h VAL 340 CO -0.45 0.73 0.00 0.00 -1.23 0.00 0.00 177.57 176.62 1s76 n ILE 341 N -4.00 1.12 1.21 7.19 3.06 0.08 -1.35 119.36 126.67 1s76 n ILE 341 Ca -0.18 0.59 0.13 0.00 -2.50 0.00 0.00 62.75 60.78 1s76 n ILE 341 Cb 0.89 -1.57 0.28 0.00 0.54 0.00 0.00 39.64 39.78 1s76 n ILE 341 CO 0.00 0.00 0.00 0.35 -2.50 0.00 0.00 176.55 174.40 1s76 n THR 342 N -2.13 0.00 -0.05 9.51 -2.24 -0.90 -3.81 114.28 114.66 1s76 n THR 342 Ca -0.00 -0.30 -0.16 0.00 -2.27 0.00 0.00 64.05 61.32 1s76 n THR 342 Cb 0.07 0.91 -0.14 0.00 -2.10 0.00 0.00 70.33 69.07 1s76 n THR 342 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1s76 n LYS 343 N 0.31 0.69 -0.62 -0.78 5.02 -0.46 -4.81 118.16 117.52 1s76 n LYS 343 Ca 0.14 0.20 -0.23 0.00 -2.02 0.00 0.00 58.31 56.41 1s76 n LYS 343 Cb 0.45 -1.65 -0.02 0.00 -0.02 0.00 0.00 35.03 33.78 1s76 n LYS 343 CO 0.00 0.00 0.00 0.91 -0.52 0.00 0.00 177.40 177.79 1s76 n TRP 344 N -3.21 0.02 0.28 2.13 7.02 -1.16 -4.74 117.44 117.77 1s76 n TRP 344 Ca -0.32 0.43 -0.16 0.00 -1.02 0.00 0.00 57.50 56.43 1s76 n TRP 344 Cb 1.05 -0.86 -0.09 0.00 -2.42 0.00 0.00 31.31 28.99 1s76 n TRP 344 CO 0.00 0.00 0.00 -0.22 -2.02 0.00 0.00 177.69 175.45 1s76 h LYS 345 N 0.83 -0.88 -4.11 -0.99 3.64 -1.94 -3.35 116.57 109.77 1s76 h LYS 345 Ca -0.17 0.06 -0.70 0.00 -1.27 0.00 0.00 60.65 58.57 1s76 h LYS 345 Cb 0.61 0.20 -0.34 0.00 -0.41 0.00 0.00 32.23 32.30 1s76 h LYS 345 CO 0.26 -0.59 -0.43 -1.01 -2.27 0.00 0.00 179.45 175.41 1s76 s HIS 346 N -5.49 3.50 0.32 1.91 3.76 -1.26 -4.82 115.29 113.22 1s76 s HIS 346 Ca -0.16 -2.41 -0.28 0.00 -0.15 0.00 0.00 55.06 52.06 1s76 s HIS 346 Cb 0.03 -3.29 -0.09 0.00 1.11 0.00 0.00 32.58 30.34 1s76 s HIS 346 CO 0.52 -0.93 1.15 0.00 -0.85 0.00 0.00 174.74 174.63 1s76 n PRO 348 N 0.78 0.53 -3.51 0.00 -0.04 -1.26 -4.34 135.00 127.16 1s76 n PRO 348 Ca 0.01 0.02 -0.41 0.00 -0.04 0.00 0.00 63.50 63.08 1s76 n PRO 348 Cb 0.45 -1.50 -0.05 0.00 -0.04 0.00 0.00 33.50 32.36 1s76 n PRO 348 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1s76 s VAL 349 N -2.40 4.88 -1.08 0.52 1.01 -1.26 -4.54 120.40 117.54 1s76 s VAL 349 Ca 0.30 -3.12 -0.26 0.00 0.00 0.00 0.00 61.98 58.90 1s76 s VAL 349 Cb 0.18 -4.03 -0.18 0.00 0.00 0.00 0.00 36.38 32.35 1s76 s VAL 349 CO 0.38 -1.03 2.09 -1.61 0.00 0.00 0.00 175.10 174.93 1s76 s GLU 350 N -0.54 1.58 0.00 2.72 0.41 -1.26 -1.78 118.70 119.82 1s76 s GLU 350 Ca 0.22 -0.52 0.00 0.00 -0.41 0.00 0.00 54.97 54.26 1s76 s GLU 350 Cb -0.12 -5.03 0.00 0.00 -1.78 0.00 0.00 34.13 27.20 1s76 s GLU 350 CO -0.08 -4.97 0.00 -3.47 -0.49 0.00 0.00 175.26 166.25 1s76 n ASP 351 N 18.13 0.00 -4.77 -0.19 4.64 -1.26 -5.13 116.55 127.97 1s76 n ASP 351 Ca 0.43 0.00 -0.38 0.00 -1.38 0.00 0.00 54.79 53.46 1s76 n ASP 351 Cb 0.46 0.00 -0.04 0.00 -1.04 0.00 0.00 41.12 40.50 1s76 n ASP 351 CO 0.00 0.00 0.00 -0.63 -0.82 0.00 0.00 177.20 175.75 1s76 s ILE 352 N -0.80 3.62 0.01 5.18 -1.09 -0.74 -5.02 121.20 122.36 1s76 s ILE 352 Ca 0.00 1.39 -0.28 0.00 -2.23 0.00 0.00 60.65 59.53 1s76 s ILE 352 Cb 0.00 -3.80 -0.04 0.00 -1.58 0.00 0.00 42.46 37.05 1s76 s ILE 352 CO 0.00 0.16 0.91 -2.16 -1.23 0.00 0.00 174.94 172.62 1s76 s PRO 353 N -2.06 4.56 1.13 2.79 0.04 -1.26 -5.02 135.00 135.18 1s76 s PRO 353 Ca 0.52 1.30 -0.13 0.00 0.04 0.00 0.00 61.00 62.74 1s76 s PRO 353 Cb -0.26 -3.43 0.26 0.00 0.04 0.00 0.00 34.50 31.11 1s76 s PRO 353 CO 0.33 0.05 1.04 0.00 0.04 0.00 0.00 177.00 178.46 1s76 s ALA 354 N 0.68 -0.16 0.06 8.56 0.00 -1.26 -4.94 121.76 124.70 1s76 s ALA 354 Ca 0.47 -0.17 0.09 0.00 0.00 0.00 0.00 51.96 52.35 1s76 s ALA 354 Cb -0.21 -3.22 -0.21 0.00 0.00 0.00 0.00 23.12 19.48 1s76 s ALA 354 CO 0.26 -3.63 1.11 0.82 0.00 0.00 0.00 175.76 174.32 1s76 h ILE 355 N -2.47 1.44 -1.58 0.00 2.04 -1.85 -3.48 117.51 111.61 1s76 h ILE 355 Ca -0.60 -3.18 -0.56 0.00 1.00 0.00 0.00 64.86 61.52 1s76 h ILE 355 Cb 1.33 2.71 -0.08 0.00 -0.74 0.00 0.00 36.82 40.05 1s76 h ILE 355 CO 0.52 0.82 -0.48 -1.61 0.00 0.00 0.00 178.15 177.40 1s76 s GLU 356 N -2.69 2.27 0.81 2.37 0.41 -1.26 -5.10 118.70 115.51 1s76 s GLU 356 Ca -0.01 -1.80 -0.13 0.00 -0.41 0.00 0.00 54.97 52.62 1s76 s GLU 356 Cb 0.09 -2.04 0.21 0.00 -1.78 0.00 0.00 34.13 30.62 1s76 s GLU 356 CO 0.82 -0.13 0.47 0.54 -0.49 0.00 0.00 175.26 176.47 1s76 n ARG 357 N -1.28 -3.39 -1.86 1.61 1.74 -1.26 -4.93 116.66 107.29 1s76 n ARG 357 Ca -0.00 -0.79 -0.34 0.00 -0.77 0.00 0.00 57.85 55.94 1s76 n ARG 357 Cb 0.64 -1.06 0.04 0.00 -1.02 0.00 0.00 32.46 31.07 1s76 n ARG 357 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 1s76 n GLU 358 N -3.90 2.95 0.00 5.56 1.02 -1.26 -5.03 120.64 119.98 1s76 n GLU 358 Ca 0.07 -3.70 0.00 0.00 -0.02 0.00 0.00 57.16 53.51 1s76 n GLU 358 Cb 0.33 -2.27 0.00 0.00 -0.02 0.00 0.00 31.44 29.47 1s76 n GLU 358 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 1s76 n GLU 359 N -0.66 0.00 0.00 3.49 4.71 -1.26 -4.72 120.64 122.20 1s76 n GLU 359 Ca 0.53 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.68 1s76 n GLU 359 Cb 0.51 0.00 0.00 0.00 -1.01 0.00 0.00 31.44 30.94 1s76 n GLU 359 CO 0.00 0.00 0.00 1.28 0.09 0.00 0.00 177.13 178.50 1s76 n LEU 360 N 0.00 0.00 -4.74 -4.62 4.77 -1.26 -5.07 117.00 106.08 1s76 n LEU 360 Ca 0.00 0.00 -0.34 0.00 -0.03 0.00 0.00 56.01 55.64 1s76 n LEU 360 Cb 0.00 0.00 0.08 0.00 -2.33 0.00 0.00 43.42 41.17 1s76 n LEU 360 CO 0.00 0.00 0.77 -2.16 -1.33 0.00 0.00 177.39 174.67 1s76 s PRO 361 N -0.87 2.29 -0.06 3.23 0.04 -1.26 -4.90 135.00 133.48 1s76 s PRO 361 Ca 0.00 1.61 -0.00 0.00 0.04 0.00 0.00 61.00 62.64 1s76 s PRO 361 Cb 0.00 -1.87 0.00 0.00 0.04 0.00 0.00 34.50 32.67 1s76 s PRO 361 CO 0.00 -1.68 0.01 -0.12 0.04 0.00 0.00 177.00 175.25 1s76 n MET 362 N -2.73 -0.76 -0.02 4.56 1.56 -1.26 -5.00 117.12 113.47 1s76 n MET 362 Ca 0.12 1.00 0.00 0.00 -0.27 0.00 0.00 57.70 58.55 1s76 n MET 362 Cb 0.51 -1.89 0.00 0.00 2.15 0.00 0.00 33.22 33.99 1s76 n MET 362 CO 0.00 0.00 0.00 0.25 -0.73 0.00 0.00 175.97 175.49 1s76 n THR 375 N 0.18 0.00 -1.46 1.12 -2.24 -1.26 -2.60 114.28 108.01 1s76 n THR 375 Ca -0.02 0.00 0.19 0.00 -2.27 0.00 0.00 64.05 61.95 1s76 n THR 375 Cb 0.02 0.00 -0.08 0.00 -2.10 0.00 0.00 70.33 68.18 1s76 n THR 375 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1s76 n ALA 376 N 0.41 -3.83 -0.32 6.98 0.00 -1.26 -2.47 120.51 120.02 1s76 n ALA 376 Ca 0.00 0.78 0.03 0.00 0.00 0.00 0.00 53.44 54.25 1s76 n ALA 376 Cb 0.00 -1.50 0.17 0.00 0.00 0.00 0.00 19.45 18.12 1s76 n ALA 376 CO 0.00 0.00 0.00 2.35 0.00 0.00 0.00 177.50 179.85 1s76 h TRP 377 N -1.42 1.00 -0.73 0.00 2.91 -2.02 -0.68 115.95 115.01 1s76 h TRP 377 Ca -0.12 0.03 0.21 0.00 1.13 0.00 0.00 58.89 60.14 1s76 h TRP 377 Cb 1.38 -0.32 -0.03 0.00 -0.51 0.00 0.00 29.16 29.69 1s76 h TRP 377 CO 0.02 0.45 0.69 -0.22 -1.03 0.00 0.00 178.44 178.35 1s76 h LYS 378 N 0.94 0.00 -0.75 2.65 3.11 -1.90 -1.71 116.57 118.92 1s76 h LYS 378 Ca 0.42 0.00 0.16 0.00 -2.81 0.00 0.00 60.65 58.41 1s76 h LYS 378 Cb 0.30 0.00 -0.11 0.00 -1.00 0.00 0.00 32.23 31.43 1s76 h LYS 378 CO -0.22 0.00 0.23 -0.09 -2.81 0.00 0.00 179.45 176.56 1s76 h ARG 379 N 0.00 0.32 0.01 1.90 9.65 -0.79 -1.82 114.38 123.65 1s76 h ARG 379 Ca 0.35 -0.02 -0.28 0.00 -1.10 0.00 0.00 59.98 58.93 1s76 h ARG 379 Cb 1.72 -0.07 -0.04 0.00 -1.39 0.00 0.00 29.97 30.18 1s76 h ARG 379 CO -0.00 0.21 -1.58 0.00 2.80 0.00 0.00 179.97 181.40 1s76 h ALA 380 N 1.59 0.66 -0.73 2.80 0.00 -1.51 -3.36 119.26 118.71 1s76 h ALA 380 Ca 0.42 -1.34 -0.51 0.00 0.00 0.00 0.00 54.91 53.47 1s76 h ALA 380 Cb 0.70 0.37 -0.21 0.00 0.00 0.00 0.00 17.79 18.65 1s76 h ALA 380 CO -0.47 1.49 0.64 0.00 0.00 0.00 0.00 179.25 180.91 1s76 n ALA 381 N -2.54 5.84 -0.04 0.00 0.00 -0.79 -4.30 120.51 118.67 1s76 n ALA 381 Ca -0.14 -2.69 -0.19 0.00 0.00 0.00 0.00 53.44 50.41 1s76 n ALA 381 Cb 1.03 -1.65 -0.13 0.00 0.00 0.00 0.00 19.45 18.69 1s76 n ALA 381 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1s76 n ALA 382 N -0.16 1.11 0.27 0.00 0.00 -0.75 -4.13 120.51 116.84 1s76 n ALA 382 Ca 0.47 -0.78 0.13 0.00 0.00 0.00 0.00 53.44 53.26 1s76 n ALA 382 Cb 0.58 -0.50 0.77 0.00 0.00 0.00 0.00 19.45 20.30 1s76 n ALA 382 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1s76 h ALA 383 N 0.14 1.33 -0.91 0.00 0.00 -1.88 -3.04 119.26 114.89 1s76 h ALA 383 Ca -0.47 -0.08 0.17 0.00 0.00 0.00 0.00 54.91 54.53 1s76 h ALA 383 Cb 2.00 -0.01 -0.17 0.00 0.00 0.00 0.00 17.79 19.61 1s76 h ALA 383 CO 0.03 0.11 -0.27 0.28 0.00 0.00 0.00 179.25 179.41 1s76 h VAL 384 N 0.00 0.07 0.00 0.00 2.07 -1.86 0.18 116.25 116.71 1s76 h VAL 384 Ca -0.00 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.52 1s76 h VAL 384 Cb 0.26 0.07 0.00 0.00 -1.52 0.00 0.00 31.29 30.10 1s76 h VAL 384 CO 0.01 0.00 0.00 -1.22 0.02 0.00 0.00 177.57 176.38 1s76 n TYR 385 N -5.55 0.00 -0.06 1.57 4.02 -1.15 -1.50 117.16 114.49 1s76 n TYR 385 Ca 0.13 0.00 0.13 0.00 -0.01 0.00 0.00 57.90 58.14 1s76 n TYR 385 Cb 0.44 -0.45 0.53 0.00 -0.02 0.00 0.00 39.34 39.84 1s76 n TYR 385 CO 0.00 0.00 0.00 0.07 -1.01 0.00 0.00 176.86 175.92 1s76 h ARG 386 N 0.00 0.34 0.00 -0.72 -0.00 -1.65 -0.06 114.38 112.28 1s76 h ARG 386 Ca 0.00 -0.02 -0.04 0.00 -0.00 0.00 0.00 59.98 59.92 1s76 h ARG 386 Cb 0.00 -0.08 -0.01 0.00 -0.00 0.00 0.00 29.97 29.89 1s76 h ARG 386 CO 0.00 0.22 -0.18 -0.22 -0.00 0.00 0.00 179.97 179.79 1s76 h LYS 387 N 0.35 0.00 0.00 0.08 3.64 -0.43 -1.56 116.57 118.64 1s76 h LYS 387 Ca 0.26 0.00 -0.11 0.00 -1.27 0.00 0.00 60.65 59.53 1s76 h LYS 387 Cb 0.56 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.36 1s76 h LYS 387 CO -0.06 0.18 -0.90 0.22 -2.27 0.00 0.00 179.45 176.62 1s76 h ASP 388 N 0.00 0.00 -0.06 4.20 1.82 0.08 -2.96 116.42 119.50 1s76 h ASP 388 Ca -0.00 0.00 -0.08 0.00 -0.39 0.00 0.00 57.03 56.55 1s76 h ASP 388 Cb 0.52 0.00 -0.01 0.00 0.68 0.00 0.00 39.33 40.52 1s76 h ASP 388 CO 0.02 0.44 -0.21 0.50 -1.61 0.00 0.00 179.24 178.38 1s76 h LYS 389 N 0.00 0.46 -0.23 0.28 3.64 -0.74 0.11 116.57 120.08 1s76 h LYS 389 Ca -0.07 -0.15 -0.20 0.00 -1.27 0.00 0.00 60.65 58.96 1s76 h LYS 389 Cb 1.39 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 33.18 1s76 h LYS 389 CO 0.05 0.64 -0.64 0.00 -2.27 0.00 0.00 179.45 177.23 1s76 h ALA 390 N 1.37 0.41 0.52 5.00 0.00 -1.48 -2.81 119.26 122.27 1s76 h ALA 390 Ca 0.07 -0.55 -0.03 0.00 0.00 0.00 0.00 54.91 54.40 1s76 h ALA 390 Cb 0.60 -0.05 0.01 0.00 0.00 0.00 0.00 17.79 18.34 1s76 h ALA 390 CO 0.04 0.68 -0.25 -0.09 0.00 0.00 0.00 179.25 179.63 1s76 h ARG 391 N 0.62 -0.68 -0.72 0.00 2.43 -1.22 0.26 114.38 115.06 1s76 h ARG 391 Ca -0.01 0.05 0.07 0.00 -0.81 0.00 0.00 59.98 59.27 1s76 h ARG 391 Cb 1.26 0.15 -0.05 0.00 -0.42 0.00 0.00 29.97 30.92 1s76 h ARG 391 CO 0.14 -0.37 0.48 -0.22 -1.51 0.00 0.00 179.97 178.48 1s76 h LYS 392 N -0.97 0.71 0.01 0.20 3.64 -0.92 0.63 116.57 119.87 1s76 h LYS 392 Ca -0.07 -0.04 -0.25 0.00 -1.27 0.00 0.00 60.65 59.02 1s76 h LYS 392 Cb 0.62 -0.16 0.01 0.00 -0.41 0.00 0.00 32.23 32.29 1s76 h LYS 392 CO 0.12 0.47 -1.01 1.03 -2.27 0.00 0.00 179.45 177.79 1s76 h SER 393 N 0.73 0.73 0.62 4.20 0.87 -1.48 -2.41 113.55 116.81 1s76 h SER 393 Ca 0.32 -0.59 -0.10 0.00 -1.23 0.00 0.00 61.79 60.18 1s76 h SER 393 Cb 0.29 -0.22 -0.01 0.00 -0.44 0.00 0.00 62.40 62.02 1s76 h SER 393 CO -0.11 1.39 -0.49 -0.09 -0.53 0.00 0.00 176.83 177.01 1s76 h ARG 394 N 0.31 0.00 -0.19 2.24 2.43 0.26 -2.88 114.38 116.55 1s76 h ARG 394 Ca -0.11 0.00 -0.12 0.00 -0.81 0.00 0.00 59.98 58.94 1s76 h ARG 394 Cb 1.66 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 31.20 1s76 h ARG 394 CO 0.19 0.49 -0.41 -0.09 -1.51 0.00 0.00 179.97 178.64 1s76 h ARG 395 N 0.00 0.44 -0.25 0.20 9.65 0.37 -2.84 114.38 121.94 1s76 h ARG 395 Ca -0.00 -0.22 -0.01 0.00 -1.10 0.00 0.00 59.98 58.65 1s76 h ARG 395 Cb 0.93 0.00 -0.01 0.00 -1.39 0.00 0.00 29.97 29.50 1s76 h ARG 395 CO 0.06 0.78 0.13 0.82 2.80 0.00 0.00 179.97 184.57 1s76 h ILE 396 N 0.37 1.12 -0.41 1.20 1.08 -1.20 -1.65 117.51 118.01 1s76 h ILE 396 Ca 0.03 -0.33 -0.14 0.00 -0.39 0.00 0.00 64.86 64.04 1s76 h ILE 396 Cb 0.88 0.88 -0.01 0.00 -3.07 0.00 0.00 36.82 35.50 1s76 h ILE 396 CO 0.07 0.12 -0.29 0.77 -0.69 0.00 0.00 178.15 178.13 1s76 h SER 397 N 0.29 0.94 -0.54 1.72 4.64 -1.60 -1.10 113.55 117.89 1s76 h SER 397 Ca 0.09 -0.38 0.10 0.00 -0.47 0.00 0.00 61.79 61.12 1s76 h SER 397 Cb 0.07 -0.26 -0.08 0.00 -0.31 0.00 0.00 62.40 61.82 1s76 h SER 397 CO -0.01 1.16 0.12 0.25 -0.87 0.00 0.00 176.83 177.47 1s76 h LEU 398 N 0.76 0.01 -0.91 5.97 6.46 -1.30 0.51 115.31 126.82 1s76 h LEU 398 Ca 0.08 0.10 -0.11 0.00 -0.12 0.00 0.00 57.88 57.83 1s76 h LEU 398 Cb 0.86 0.13 -0.02 0.00 -0.73 0.00 0.00 40.66 40.91 1s76 h LEU 398 CO 0.08 0.03 -0.54 -0.33 -0.62 0.00 0.00 178.44 177.05 1s76 h GLU 399 N 0.25 0.02 -0.16 1.25 5.08 -1.14 -1.49 114.58 118.40 1s76 h GLU 399 Ca 0.28 -0.01 -0.19 0.00 -1.00 0.00 0.00 59.36 58.44 1s76 h GLU 399 Cb 0.39 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.65 1s76 h GLU 399 CO -0.36 0.55 -0.65 0.35 -1.00 0.00 0.00 179.01 177.91 1s76 h PHE 400 N 0.01 0.95 -0.73 4.33 3.04 0.23 -0.56 116.94 124.21 1s76 h PHE 400 Ca -0.00 -0.41 -0.05 0.00 3.98 0.00 0.00 57.97 61.49 1s76 h PHE 400 Cb 0.96 -0.15 -0.03 0.00 2.56 0.00 0.00 35.95 39.28 1s76 h PHE 400 CO 0.00 1.22 0.26 0.52 -2.02 0.00 0.00 178.31 178.29 1s76 h MET 401 N 0.41 1.12 -0.03 1.11 2.86 0.07 -0.33 114.93 120.14 1s76 h MET 401 Ca -0.04 -0.22 -0.10 0.00 -2.06 0.00 0.00 59.70 57.27 1s76 h MET 401 Cb 1.28 -0.17 -0.01 0.00 0.06 0.00 0.00 31.60 32.75 1s76 h MET 401 CO 0.14 0.94 -0.47 -0.07 1.06 0.00 0.00 176.91 178.50 1s76 h LEU 402 N 1.07 0.07 -0.07 1.22 4.07 -1.25 -0.69 115.31 119.73 1s76 h LEU 402 Ca 0.24 -0.03 -0.01 0.00 0.08 0.00 0.00 57.88 58.16 1s76 h LEU 402 Cb 0.26 -0.02 -0.00 0.00 1.08 0.00 0.00 40.66 41.98 1s76 h LEU 402 CO -0.01 0.54 0.01 -0.33 -1.08 0.00 0.00 178.44 177.56 1s76 h GLU 403 N 0.06 0.12 -0.41 1.13 5.08 -0.18 -2.26 114.58 118.12 1s76 h GLU 403 Ca 0.00 -0.03 -0.02 0.00 -1.00 0.00 0.00 59.36 58.31 1s76 h GLU 403 Cb 0.86 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 30.08 1s76 h GLU 403 CO 0.06 0.36 0.18 1.96 -1.00 0.00 0.00 179.01 180.57 1s76 h GLN 404 N -0.14 0.61 0.55 2.33 1.08 -0.90 0.03 115.11 118.66 1s76 h GLN 404 Ca 0.02 -0.10 -0.02 0.00 -1.45 0.00 0.00 58.65 57.10 1s76 h GLN 404 Cb 0.30 -0.10 -0.02 0.00 -0.05 0.00 0.00 27.48 27.61 1s76 h GLN 404 CO 0.00 0.55 -0.45 0.00 -0.95 0.00 0.00 178.83 177.99 1s76 h ALA 405 N 1.02 -1.04 -0.84 3.87 0.00 -1.11 0.14 119.26 121.30 1s76 h ALA 405 Ca 0.14 -0.19 0.01 0.00 0.00 0.00 0.00 54.91 54.88 1s76 h ALA 405 Cb 0.16 0.61 -0.04 0.00 0.00 0.00 0.00 17.79 18.52 1s76 h ALA 405 CO -0.01 -1.12 0.56 -0.91 0.00 0.00 0.00 179.25 177.77 1s76 h ASN 406 N -0.97 0.95 -0.92 0.00 2.35 -1.42 0.61 115.58 116.19 1s76 h ASN 406 Ca -0.06 -0.02 -0.00 0.00 -0.55 0.00 0.00 56.30 55.66 1s76 h ASN 406 Cb 0.83 -0.24 -0.04 0.00 0.05 0.00 0.00 38.32 38.92 1s76 h ASN 406 CO -0.01 0.69 0.57 0.50 -1.65 0.00 0.00 177.43 177.53 1s76 h LYS 407 N 1.12 1.24 -0.42 0.81 3.64 -0.54 -2.90 116.57 119.53 1s76 h LYS 407 Ca 0.31 -0.10 0.00 0.00 -1.27 0.00 0.00 60.65 59.59 1s76 h LYS 407 Cb -0.10 -0.27 0.00 0.00 -0.41 0.00 0.00 32.23 31.45 1s76 h LYS 407 CO -0.07 0.86 0.00 1.19 -2.27 0.00 0.00 179.45 179.16 1s76 n PHE 408 N -4.36 0.54 -1.11 1.91 3.72 0.44 -4.94 117.46 113.66 1s76 n PHE 408 Ca 0.10 -0.27 -0.31 0.00 -0.05 0.00 0.00 57.45 56.93 1s76 n PHE 408 Cb 0.05 0.00 0.13 0.00 -0.94 0.00 0.00 39.48 38.72 1s76 n PHE 408 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1s76 s ALA 409 N -1.46 1.78 0.00 4.37 0.00 0.11 -3.04 121.76 123.53 1s76 s ALA 409 Ca 0.39 0.21 0.00 0.00 0.00 0.00 0.00 51.96 52.56 1s76 s ALA 409 Cb 0.22 -3.28 0.00 0.00 0.00 0.00 0.00 23.12 20.06 1s76 s ALA 409 CO 0.31 -2.21 0.00 0.09 0.00 0.00 0.00 175.76 173.94 1s76 n ASN 410 N -3.82 0.00 -4.75 0.00 3.02 -1.26 -4.98 115.26 103.47 1s76 n ASN 410 Ca 0.09 0.00 -0.41 0.00 -0.03 0.00 0.00 54.58 54.22 1s76 n ASN 410 Cb 0.54 0.00 -0.03 0.00 -0.61 0.00 0.00 39.78 39.68 1s76 n ASN 410 CO 0.00 0.00 0.00 -1.00 -2.62 0.00 0.00 177.26 173.64 1s76 s HIS 411 N -0.36 3.13 0.63 3.10 3.76 -1.17 -4.84 115.29 119.54 1s76 s HIS 411 Ca 0.00 1.19 0.33 0.00 -0.15 0.00 0.00 55.06 56.44 1s76 s HIS 411 Cb 0.00 -3.69 1.87 0.00 1.11 0.00 0.00 32.58 31.86 1s76 s HIS 411 CO 0.00 -2.15 2.13 0.87 -0.85 0.00 0.00 174.74 174.74 1s76 h LYS 412 N 4.82 0.00 -1.08 1.40 1.79 -1.93 -3.45 116.57 118.12 1s76 h LYS 412 Ca -0.46 0.00 0.33 0.00 -2.18 0.00 0.00 60.65 58.34 1s76 h LYS 412 Cb 1.22 0.00 -0.20 0.00 -1.58 0.00 0.00 32.23 31.67 1s76 h LYS 412 CO 0.75 0.00 0.97 0.00 -1.08 0.00 0.00 179.45 180.09 1s76 s ALA 413 N -4.37 -2.22 0.00 3.86 0.00 -1.26 -4.85 121.76 112.92 1s76 s ALA 413 Ca -0.04 1.82 -0.11 0.00 0.00 0.00 0.00 51.96 53.62 1s76 s ALA 413 Cb 0.13 -0.33 0.01 0.00 0.00 0.00 0.00 23.12 22.93 1s76 s ALA 413 CO 0.44 -0.59 0.23 0.96 0.00 0.00 0.00 175.76 176.81 1s76 s ILE 414 N -2.07 0.08 0.31 0.00 -4.36 0.55 -4.73 121.20 110.98 1s76 s ILE 414 Ca 0.12 -0.62 0.06 0.00 -0.26 0.00 0.00 60.65 59.95 1s76 s ILE 414 Cb -0.00 -0.61 -0.06 0.00 1.25 0.00 0.00 42.46 43.03 1s76 s ILE 414 CO -0.03 -0.34 -0.02 0.26 0.24 0.00 0.00 174.94 175.05 1s76 s TRP 415 N -1.60 2.05 -0.10 1.37 0.51 -0.11 0.51 118.94 121.57 1s76 s TRP 415 Ca -0.12 -0.75 0.01 0.00 -2.12 0.00 0.00 56.10 53.12 1s76 s TRP 415 Cb -0.05 -1.25 0.02 0.00 -0.81 0.00 0.00 33.47 31.37 1s76 s TRP 415 CO 0.02 0.25 -0.12 -0.06 -0.51 0.00 0.00 176.95 176.52 1s76 s PHE 416 N -3.03 1.69 0.60 -1.98 0.08 -1.26 0.46 117.98 114.55 1s76 s PHE 416 Ca 0.32 -0.78 -0.17 0.00 0.12 0.00 0.00 56.93 56.42 1s76 s PHE 416 Cb 0.06 -1.28 -0.03 0.00 -0.57 0.00 0.00 43.02 41.20 1s76 s PHE 416 CO 0.14 -0.44 1.10 -1.25 -0.10 0.00 0.00 175.22 174.67 1s76 s PRO 417 N 1.15 3.11 0.09 0.24 0.04 -1.26 -4.59 135.00 133.77 1s76 s PRO 417 Ca -0.05 1.42 0.06 0.00 0.04 0.00 0.00 61.00 62.47 1s76 s PRO 417 Cb -0.14 -1.99 -0.03 0.00 0.04 0.00 0.00 34.50 32.38 1s76 s PRO 417 CO -0.03 -1.01 -0.15 0.71 0.04 0.00 0.00 177.00 176.56 1s76 s TYR 418 N -2.17 1.35 0.02 0.56 1.51 -1.26 -0.70 117.35 116.66 1s76 s TYR 418 Ca 0.68 -0.47 -0.00 0.00 -1.01 0.00 0.00 57.07 56.27 1s76 s TYR 418 Cb -0.20 -0.74 0.00 0.00 -0.11 0.00 0.00 41.96 40.90 1s76 s TYR 418 CO 0.35 0.10 0.03 0.27 -1.11 0.00 0.00 175.55 175.19 1s76 n ASN 419 N 1.11 -0.10 -4.38 2.29 2.04 -1.01 -4.84 115.26 110.37 1s76 n ASN 419 Ca -0.20 -1.11 -0.19 0.00 -0.44 0.00 0.00 54.58 52.64 1s76 n ASN 419 Cb 0.55 0.17 -0.10 0.00 -2.53 0.00 0.00 39.78 37.87 1s76 n ASN 419 CO 0.00 0.00 0.00 -0.04 -0.44 0.00 0.00 177.26 176.78 1s76 s MET 420 N -2.04 1.46 0.18 -3.83 -1.94 0.88 -1.42 119.30 112.60 1s76 s MET 420 Ca 0.02 -1.75 0.20 0.00 -1.71 0.00 0.00 55.69 52.45 1s76 s MET 420 Cb -0.00 -0.85 -0.01 0.00 2.01 0.00 0.00 34.83 35.97 1s76 s MET 420 CO 0.01 -0.06 1.04 0.38 -0.01 0.00 0.00 175.02 176.39 1s76 h ASP 421 N 2.35 0.00 0.00 3.03 -0.00 -1.76 1.38 116.42 121.42 1s76 h ASP 421 Ca -0.39 0.00 0.00 0.00 -0.00 0.00 0.00 57.03 56.64 1s76 h ASP 421 Cb 1.23 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 40.56 1s76 h ASP 421 CO 0.66 0.22 0.00 -2.67 -0.00 0.00 0.00 179.24 177.46 1s76 n TRP 422 N -2.82 0.00 0.84 4.15 4.27 -1.26 -4.01 117.44 118.61 1s76 n TRP 422 Ca -0.03 0.00 0.10 0.00 -3.89 0.00 0.00 57.50 53.69 1s76 n TRP 422 Cb 0.66 0.00 -0.08 0.00 -1.36 0.00 0.00 31.31 30.52 1s76 n TRP 422 CO 0.00 0.00 0.00 0.54 -2.29 0.00 0.00 177.69 175.94 1s76 n ARG 423 N 0.00 0.10 0.00 -2.67 1.74 -1.26 -4.49 116.66 110.08 1s76 n ARG 423 Ca 0.00 -0.02 0.00 0.00 -0.77 0.00 0.00 57.85 57.06 1s76 n ARG 423 Cb 0.00 -1.51 0.00 0.00 -1.02 0.00 0.00 32.46 29.93 1s76 n ARG 423 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1s76 n GLY 424 N 1.46 0.54 3.77 -0.13 0.00 -1.26 -4.12 105.19 105.45 1s76 n GLY 424 Ca 0.03 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.64 1s76 n GLY 424 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1s76 s ARG 425 N -0.74 4.31 -0.03 1.61 0.52 -1.26 -4.75 118.95 118.61 1s76 s ARG 425 Ca 0.00 2.28 -0.26 0.00 -0.52 0.00 0.00 55.73 57.23 1s76 s ARG 425 Cb 0.00 -3.05 -0.04 0.00 0.52 0.00 0.00 34.95 32.38 1s76 s ARG 425 CO 0.00 -0.25 0.81 0.08 0.02 0.00 0.00 175.30 175.96 1s76 s VAL 426 N -1.14 4.94 -0.01 3.52 1.01 -1.26 -2.37 120.40 125.09 1s76 s VAL 426 Ca 0.50 1.69 0.03 0.00 0.00 0.00 0.00 61.98 64.19 1s76 s VAL 426 Cb -0.41 -4.15 -0.01 0.00 0.00 0.00 0.00 36.38 31.82 1s76 s VAL 426 CO 0.55 0.24 -0.10 -0.31 0.00 0.00 0.00 175.10 175.47 1s76 s TYR 427 N 0.75 0.91 0.44 5.22 1.51 -0.50 -4.69 117.35 120.98 1s76 s TYR 427 Ca 0.43 -0.18 -0.24 0.00 -1.01 0.00 0.00 57.07 56.07 1s76 s TYR 427 Cb -0.19 -0.60 -0.08 0.00 -0.11 0.00 0.00 41.96 40.98 1s76 s TYR 427 CO 0.22 -0.03 1.15 0.00 -1.11 0.00 0.00 175.55 175.78 1s76 s ALA 428 N -0.14 3.03 0.01 3.71 0.00 -1.26 -2.40 121.76 124.71 1s76 s ALA 428 Ca 0.02 0.91 -0.19 0.00 0.00 0.00 0.00 51.96 52.70 1s76 s ALA 428 Cb -0.05 -3.37 -0.24 0.00 0.00 0.00 0.00 23.12 19.46 1s76 s ALA 428 CO -0.00 -0.57 1.09 0.28 0.00 0.00 0.00 175.76 176.56 1s76 h VAL 429 N 2.02 1.42 -3.94 0.00 2.07 -1.24 -3.47 116.25 113.11 1s76 h VAL 429 Ca -0.49 -2.15 -0.47 0.00 0.82 0.00 0.00 66.70 64.41 1s76 h VAL 429 Cb 1.24 2.63 -0.01 0.00 -1.52 0.00 0.00 31.29 33.63 1s76 h VAL 429 CO 0.61 0.63 0.36 -0.94 0.02 0.00 0.00 177.57 178.25 1s76 s SER 430 N -6.85 7.11 0.41 0.57 1.04 -1.26 -4.85 113.70 109.87 1s76 s SER 430 Ca -0.13 1.86 0.20 0.00 0.48 0.00 0.00 55.95 58.36 1s76 s SER 430 Cb 0.04 -2.57 1.15 0.00 0.10 0.00 0.00 66.02 64.73 1s76 s SER 430 CO 0.84 -0.24 1.76 0.24 0.98 0.00 0.00 173.24 176.82 1s76 h MET 431 N 2.73 0.34 -5.15 4.02 0.00 -1.86 -3.34 114.93 111.68 1s76 h MET 431 Ca -0.48 -0.02 -0.63 0.00 0.00 0.00 0.00 59.70 58.58 1s76 h MET 431 Cb 1.19 -0.08 -0.15 0.00 0.00 0.00 0.00 31.60 32.57 1s76 h MET 431 CO 0.63 0.23 -0.28 0.12 0.00 0.00 0.00 176.91 177.61 1s76 s PHE 432 N -5.45 3.26 0.10 -0.22 5.36 -1.26 -4.93 117.98 114.83 1s76 s PHE 432 Ca -0.08 0.39 -0.25 0.00 -0.96 0.00 0.00 56.93 56.02 1s76 s PHE 432 Cb 0.25 -2.53 0.08 0.00 -0.34 0.00 0.00 43.02 40.48 1s76 s PHE 432 CO 0.80 -0.18 0.78 0.54 -1.46 0.00 0.00 175.22 175.69 1s76 s ASN 433 N 1.56 -0.41 0.00 6.13 4.22 -1.26 -4.64 114.94 120.55 1s76 s ASN 433 Ca 0.14 -0.11 0.00 0.00 -2.14 0.00 0.00 52.86 50.75 1s76 s ASN 433 Cb -0.16 0.51 0.00 0.00 1.28 0.00 0.00 41.25 42.88 1s76 s ASN 433 CO 0.10 -0.85 0.16 -2.65 -2.04 0.00 0.00 177.10 171.81 1s76 n PRO 434 N -0.34 0.26 0.00 3.55 -0.02 -1.26 -1.39 135.00 135.80 1s76 n PRO 434 Ca -0.11 0.00 0.01 0.00 -2.02 0.00 0.00 63.50 61.38 1s76 n PRO 434 Cb 0.63 -1.10 -0.00 0.00 -0.02 0.00 0.00 33.50 33.00 1s76 n PRO 434 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 1s76 n GLN 435 N 0.18 2.57 -0.65 -0.52 6.02 -1.26 -4.81 117.38 118.90 1s76 n GLN 435 Ca 0.00 -0.33 -0.23 0.00 -0.01 0.00 0.00 57.00 56.43 1s76 n GLN 435 Cb 0.05 -0.82 0.20 0.00 1.02 0.00 0.00 30.24 30.69 1s76 n GLN 435 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1s76 n GLY 436 N 0.53 -3.01 0.00 1.08 0.00 -0.49 -5.01 105.19 98.30 1s76 n GLY 436 Ca 0.01 -1.43 0.00 0.00 0.00 0.00 0.00 46.02 44.60 1s76 n GLY 436 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1s76 n ASN 437 N -4.64 -1.65 0.28 1.61 0.23 -1.26 -4.22 115.26 105.62 1s76 n ASN 437 Ca 0.11 0.00 -0.17 0.00 -0.53 0.00 0.00 54.58 53.99 1s76 n ASN 437 Cb 0.46 0.00 -0.09 0.00 -2.08 0.00 0.00 39.78 38.06 1s76 n ASN 437 CO 0.00 0.00 0.00 -0.78 -0.93 0.00 0.00 177.26 175.55 1s76 h ASP 438 N -1.73 -1.32 -0.68 0.53 3.58 -1.98 -0.47 116.42 114.34 1s76 h ASP 438 Ca 0.00 0.10 0.10 0.00 0.42 0.00 0.00 57.03 57.66 1s76 h ASP 438 Cb 0.00 0.43 -0.08 0.00 1.72 0.00 0.00 39.33 41.41 1s76 h ASP 438 CO 0.00 -0.64 0.30 -0.03 -2.88 0.00 0.00 179.24 175.99 1s76 h MET 439 N -0.97 0.48 0.14 0.28 4.05 -1.96 0.35 114.93 117.30 1s76 h MET 439 Ca -0.06 -0.03 -0.00 0.00 -0.28 0.00 0.00 59.70 59.33 1s76 h MET 439 Cb 0.84 -0.11 -0.01 0.00 -0.80 0.00 0.00 31.60 31.52 1s76 h MET 439 CO -0.05 0.32 -0.17 1.15 0.23 0.00 0.00 176.91 178.39 1s76 h THR 440 N 0.50 0.00 -0.87 -0.77 2.02 -1.79 0.31 112.91 112.31 1s76 h THR 440 Ca 0.34 0.00 0.21 0.00 0.77 0.00 0.00 66.41 67.74 1s76 h THR 440 Cb 0.42 0.00 -0.06 0.00 -1.74 0.00 0.00 68.15 66.77 1s76 h THR 440 CO -0.31 0.00 0.59 0.11 0.37 0.00 0.00 175.52 176.29 1s76 h LYS 441 N -0.31 0.26 -0.25 6.66 1.57 -0.80 0.31 116.57 124.01 1s76 h LYS 441 Ca -0.02 -0.02 -0.10 0.00 -1.87 0.00 0.00 60.65 58.64 1s76 h LYS 441 Cb 0.28 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.52 1s76 h LYS 441 CO -0.04 0.17 -0.28 0.78 -0.57 0.00 0.00 179.45 179.51 1s76 h GLY 442 N 0.27 0.54 1.79 3.86 0.00 0.58 -2.51 103.07 107.60 1s76 h GLY 442 Ca 0.44 -0.46 0.00 0.00 0.00 0.00 0.00 47.33 47.31 1s76 h GLY 442 CO -0.12 0.42 0.00 1.04 0.00 0.00 0.00 176.54 177.88 1s76 n LEU 443 N -4.10 0.00 -4.25 3.11 4.32 0.11 -4.72 117.00 111.46 1s76 n LEU 443 Ca -0.01 0.39 -0.29 0.00 -0.02 0.00 0.00 56.01 56.09 1s76 n LEU 443 Cb 0.43 -0.39 -0.16 0.00 -1.62 0.00 0.00 43.42 41.68 1s76 n LEU 443 CO 0.43 -0.12 -0.55 -0.76 -1.22 0.00 0.00 177.39 175.17 1s76 s LEU 444 N -2.79 2.04 0.01 2.23 1.43 -0.95 -1.43 118.68 119.22 1s76 s LEU 444 Ca 0.15 -0.43 -0.06 0.00 -1.03 0.00 0.00 54.13 52.76 1s76 s LEU 444 Cb 0.14 -1.20 -0.00 0.00 0.03 0.00 0.00 46.19 45.15 1s76 s LEU 444 CO 0.34 0.27 0.12 0.28 0.23 0.00 0.00 176.35 177.59 1s76 s THR 445 N -0.44 0.09 0.43 5.49 -1.32 -0.79 -4.80 115.64 114.31 1s76 s THR 445 Ca 0.06 -0.78 -0.25 0.00 -1.21 0.00 0.00 61.69 59.51 1s76 s THR 445 Cb -0.10 -0.50 -0.08 0.00 -1.51 0.00 0.00 72.50 70.31 1s76 s THR 445 CO 0.00 -0.43 1.32 -0.76 -2.21 0.00 0.00 174.62 172.55 1s76 s LEU 446 N -1.53 4.15 0.10 9.08 1.43 -0.67 -0.70 118.68 130.54 1s76 s LEU 446 Ca -0.13 2.69 -0.09 0.00 -1.03 0.00 0.00 54.13 55.57 1s76 s LEU 446 Cb -0.07 -3.96 -0.18 0.00 0.03 0.00 0.00 46.19 42.01 1s76 s LEU 446 CO 0.00 -0.98 1.23 0.00 0.23 0.00 0.00 176.35 176.83 1s76 h ALA 447 N 2.46 0.22 -2.20 4.21 0.00 -0.56 -3.42 119.26 119.97 1s76 h ALA 447 Ca -0.50 -0.73 -0.74 0.00 0.00 0.00 0.00 54.91 52.94 1s76 h ALA 447 Cb 1.25 0.03 -0.23 0.00 0.00 0.00 0.00 17.79 18.84 1s76 h ALA 447 CO 0.62 0.77 0.04 0.15 0.00 0.00 0.00 179.25 180.83 1s76 s LYS 448 N -3.20 3.20 0.12 0.00 1.02 -1.26 -5.00 119.74 114.63 1s76 s LYS 448 Ca -0.07 -1.78 0.01 0.00 0.02 0.00 0.00 55.97 54.14 1s76 s LYS 448 Cb 0.08 -4.37 0.02 0.00 -0.52 0.00 0.00 37.83 33.04 1s76 s LYS 448 CO 0.90 -1.42 0.17 0.41 -0.92 0.00 0.00 175.35 174.49 1s76 n GLY 449 N 4.96 1.42 3.61 -3.33 0.00 -1.26 -4.88 105.19 105.70 1s76 n GLY 449 Ca -0.03 -2.07 -0.09 0.00 0.00 0.00 0.00 46.02 43.83 1s76 n GLY 449 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1s76 s LYS 450 N -2.68 1.49 0.13 1.61 1.02 -1.02 -4.86 119.74 115.43 1s76 s LYS 450 Ca 0.12 -0.87 -0.34 0.00 0.02 0.00 0.00 55.97 54.90 1s76 s LYS 450 Cb -0.01 0.55 -0.14 0.00 -0.52 0.00 0.00 37.83 37.72 1s76 s LYS 450 CO 0.08 -0.65 1.60 -2.30 -0.92 0.00 0.00 175.35 173.16 1s76 n PRO 451 N -0.38 2.10 0.10 -1.68 -0.02 -1.26 -0.81 135.00 133.05 1s76 n PRO 451 Ca -0.09 0.76 -0.13 0.00 -2.02 0.00 0.00 63.50 62.02 1s76 n PRO 451 Cb 0.62 -2.53 -0.06 0.00 -0.02 0.00 0.00 33.50 31.50 1s76 n PRO 451 CO 0.00 0.00 0.00 0.97 1.98 0.00 0.00 175.50 178.45 1s76 h ILE 452 N 3.81 0.22 0.00 4.25 2.10 0.67 -3.43 117.51 125.13 1s76 h ILE 452 Ca -0.45 0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.49 1s76 h ILE 452 Cb 1.26 0.22 0.00 0.00 -1.09 0.00 0.00 36.82 37.21 1s76 h ILE 452 CO 0.89 0.00 0.00 0.61 -1.08 0.00 0.00 178.15 178.57 1s76 n GLY 453 N -1.44 -0.23 0.32 8.18 0.00 0.28 -3.24 105.19 109.05 1s76 n GLY 453 Ca -0.06 -1.82 -0.15 0.00 0.00 0.00 0.00 46.02 43.98 1s76 n GLY 453 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1s76 h LYS 454 N 0.00 -0.72 -0.25 1.61 3.64 -1.95 -0.10 116.57 118.80 1s76 h LYS 454 Ca 0.00 0.05 -0.02 0.00 -1.27 0.00 0.00 60.65 59.41 1s76 h LYS 454 Cb 0.00 0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 31.97 1s76 h LYS 454 CO 0.00 -0.41 0.08 0.93 -2.27 0.00 0.00 179.45 177.77 1s76 h GLU 455 N -0.95 0.40 -0.93 1.90 3.07 -1.94 -1.00 114.58 115.13 1s76 h GLU 455 Ca -0.08 -0.09 0.11 0.00 -0.50 0.00 0.00 59.36 58.80 1s76 h GLU 455 Cb 0.64 -0.06 -0.07 0.00 -0.84 0.00 0.00 28.75 28.42 1s76 h GLU 455 CO 0.13 0.47 0.60 0.78 -1.40 0.00 0.00 179.01 179.58 1s76 h GLY 456 N 0.24 1.39 0.69 -3.84 0.00 -1.58 0.62 103.07 100.59 1s76 h GLY 456 Ca 0.08 -0.38 -0.00 0.00 0.00 0.00 0.00 47.33 47.03 1s76 h GLY 456 CO -0.00 0.19 -0.05 -1.82 0.00 0.00 0.00 176.54 174.86 1s76 h TYR 457 N 0.91 -0.12 -0.08 5.60 3.20 -0.66 -3.15 116.97 122.67 1s76 h TYR 457 Ca 0.44 -0.00 0.02 0.00 3.14 0.00 0.00 58.73 62.33 1s76 h TYR 457 Cb 0.45 0.04 -0.04 0.00 1.54 0.00 0.00 36.73 38.72 1s76 h TYR 457 CO -0.00 0.19 -0.33 -0.92 -1.64 0.00 0.00 178.16 175.46 1s76 h TYR 458 N -0.44 -1.00 -1.86 -3.82 3.20 0.09 -2.82 116.97 110.32 1s76 h TYR 458 Ca -0.01 0.04 -0.48 0.00 3.14 0.00 0.00 58.73 61.41 1s76 h TYR 458 Cb 0.37 0.44 -0.04 0.00 1.54 0.00 0.00 36.73 39.04 1s76 h TYR 458 CO 0.03 -0.34 1.24 -1.58 -1.64 0.00 0.00 178.16 175.87 1s76 s TRP 459 N -4.66 1.80 0.00 -3.82 0.23 0.20 -0.70 118.94 111.99 1s76 s TRP 459 Ca -0.09 0.59 0.00 0.00 -2.03 0.00 0.00 56.10 54.57 1s76 s TRP 459 Cb 0.04 -4.19 0.00 0.00 0.03 0.00 0.00 33.47 29.36 1s76 s TRP 459 CO 0.37 -2.20 0.00 -0.11 0.96 0.00 0.00 176.95 175.98 1s76 n LEU 460 N 12.27 0.00 -0.08 2.99 7.94 -1.19 -4.62 117.00 134.31 1s76 n LEU 460 Ca 0.20 0.00 -0.11 0.00 -1.11 0.00 0.00 56.01 55.00 1s76 n LEU 460 Cb 0.51 0.00 -0.04 0.00 0.53 0.00 0.00 43.42 44.42 1s76 n LEU 460 CO 0.70 0.00 0.82 0.11 -1.11 0.00 0.00 177.39 177.90 1s76 h LYS 461 N 0.00 0.42 -0.47 1.96 1.57 -0.65 0.90 116.57 120.30 1s76 h LYS 461 Ca 0.00 -0.10 0.03 0.00 -1.87 0.00 0.00 60.65 58.71 1s76 h LYS 461 Cb 0.00 -0.05 -0.04 0.00 0.08 0.00 0.00 32.23 32.22 1s76 h LYS 461 CO 0.00 0.52 0.26 0.82 -0.57 0.00 0.00 179.45 180.48 1s76 h ILE 462 N 0.24 1.01 -0.05 1.86 1.08 -1.73 0.31 117.51 120.23 1s76 h ILE 462 Ca 0.08 -0.18 0.02 0.00 -0.39 0.00 0.00 64.86 64.40 1s76 h ILE 462 Cb 0.30 0.45 -0.03 0.00 -3.07 0.00 0.00 36.82 34.47 1s76 h ILE 462 CO 0.00 0.09 -0.10 -0.74 -0.69 0.00 0.00 178.15 176.72 1s76 h HIS 463 N 0.51 -0.24 -0.98 1.37 2.76 -1.65 -0.32 115.15 116.61 1s76 h HIS 463 Ca 0.19 0.01 0.02 0.00 -2.20 0.00 0.00 60.37 58.40 1s76 h HIS 463 Cb 0.06 0.11 -0.05 0.00 1.55 0.00 0.00 27.41 29.08 1s76 h HIS 463 CO -0.08 -0.15 0.64 0.78 -1.30 0.00 0.00 177.93 177.83 1s76 h GLY 464 N -0.14 1.40 1.81 5.26 0.00 0.14 0.22 103.07 111.76 1s76 h GLY 464 Ca 0.05 -0.50 -0.05 0.00 0.00 0.00 0.00 47.33 46.83 1s76 h GLY 464 CO -0.13 0.46 -0.13 0.00 0.00 0.00 0.00 176.54 176.74 1s76 h ALA 465 N 1.38 1.52 -0.04 3.60 0.00 0.09 -1.53 119.26 124.28 1s76 h ALA 465 Ca 0.37 -0.20 -0.10 0.00 0.00 0.00 0.00 54.91 54.99 1s76 h ALA 465 Cb -0.08 -0.08 0.01 0.00 0.00 0.00 0.00 17.79 17.63 1s76 h ALA 465 CO -0.10 0.35 -0.35 -0.91 0.00 0.00 0.00 179.25 178.23 1s76 h ASN 466 N 0.22 0.38 -0.02 0.00 -0.26 0.67 0.79 115.58 117.36 1s76 h ASN 466 Ca 0.05 -0.70 0.01 0.00 -0.56 0.00 0.00 56.30 55.09 1s76 h ASN 466 Cb 0.37 -0.11 -0.00 0.00 -1.06 0.00 0.00 38.32 37.51 1s76 h ASN 466 CO 0.02 1.02 0.02 0.00 -1.06 0.00 0.00 177.43 177.43 1s76 h ALA 468 N 1.98 0.65 0.00 0.00 0.00 -1.23 0.34 119.26 120.99 1s76 h ALA 468 Ca 0.01 -0.58 0.00 0.00 0.00 0.00 0.00 54.91 54.34 1s76 h ALA 468 Cb 0.06 0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.89 1s76 h ALA 468 CO -0.00 0.72 0.00 0.41 0.00 0.00 0.00 179.25 180.38 1s76 n GLY 469 N 1.28 0.98 3.47 0.00 0.00 -0.64 -3.77 105.19 106.52 1s76 n GLY 469 Ca -0.02 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.68 1s76 n GLY 469 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1s76 n VAL 470 N 0.00 1.98 -0.70 1.61 0.31 0.23 -4.32 118.33 117.44 1s76 n VAL 470 Ca 0.00 -1.99 0.00 0.00 -0.01 0.00 0.00 64.34 62.34 1s76 n VAL 470 Cb 0.00 -2.21 0.00 0.00 -0.91 0.00 0.00 33.84 30.72 1s76 n VAL 470 CO 0.00 0.00 0.00 -0.90 -1.32 0.00 0.00 176.83 174.61 1s76 n ASP 471 N 12.57 0.21 -1.99 4.52 5.68 -1.26 -3.73 116.55 132.56 1s76 n ASP 471 Ca 0.46 -0.92 -0.25 0.00 -0.50 0.00 0.00 54.79 53.58 1s76 n ASP 471 Cb 0.45 0.02 0.08 0.00 -1.14 0.00 0.00 41.12 40.53 1s76 n ASP 471 CO 0.00 0.00 0.00 0.29 -1.33 0.00 0.00 177.20 176.16 1s76 n LYS 472 N -0.02 2.89 -4.05 0.11 4.01 -1.26 -4.95 118.16 114.88 1s76 n LYS 472 Ca 0.00 -3.62 -0.09 0.00 -0.51 0.00 0.00 58.31 54.09 1s76 n LYS 472 Cb 0.18 -2.20 -0.11 0.00 -0.51 0.00 0.00 35.03 32.39 1s76 n LYS 472 CO 0.00 0.00 0.00 0.54 -1.11 0.00 0.00 177.40 176.83 1s76 s VAL 473 N -4.39 0.27 0.85 -0.18 0.11 -1.26 -4.68 120.40 111.12 1s76 s VAL 473 Ca 0.55 -1.40 -0.14 0.00 -2.93 0.00 0.00 61.98 58.07 1s76 s VAL 473 Cb 0.45 -0.95 0.03 0.00 -1.53 0.00 0.00 36.38 34.38 1s76 s VAL 473 CO 0.02 -0.73 0.66 -0.81 -3.33 0.00 0.00 175.10 170.91 1s76 n PRO 474 N 0.81 -0.02 -0.29 1.54 -0.04 -1.26 -4.79 135.00 130.95 1s76 n PRO 474 Ca -0.19 0.05 0.09 0.00 -0.04 0.00 0.00 63.50 63.42 1s76 n PRO 474 Cb 0.58 -2.00 0.25 0.00 -0.04 0.00 0.00 33.50 32.29 1s76 n PRO 474 CO 0.00 0.00 0.00 0.74 -0.04 0.00 0.00 175.50 176.20 1s76 h PHE 475 N -1.09 0.63 -0.94 0.54 0.04 -1.98 -2.37 116.94 111.78 1s76 h PHE 475 Ca -0.45 0.04 0.06 0.00 2.80 0.00 0.00 57.97 60.42 1s76 h PHE 475 Cb 1.30 -0.15 -0.06 0.00 2.20 0.00 0.00 35.95 39.25 1s76 h PHE 475 CO 0.40 0.04 0.61 -1.35 -0.60 0.00 0.00 178.31 177.41 1s76 h PRO 476 N 0.46 1.08 0.00 1.51 0.11 -2.00 -1.18 132.00 131.98 1s76 h PRO 476 Ca 0.49 -0.06 0.00 0.00 0.11 0.00 0.00 66.00 66.54 1s76 h PRO 476 Cb 0.84 -0.24 0.00 0.00 0.11 0.00 0.00 31.00 31.70 1s76 h PRO 476 CO -0.46 0.71 0.00 1.49 -0.21 0.00 0.00 178.00 179.54 1s76 h GLU 477 N 1.11 0.00 0.12 1.05 4.81 -1.76 -2.43 114.58 117.49 1s76 h GLU 477 Ca 0.40 0.00 -0.19 0.00 -0.13 0.00 0.00 59.36 59.44 1s76 h GLU 477 Cb 0.14 0.00 0.01 0.00 0.63 0.00 0.00 28.75 29.54 1s76 h GLU 477 CO -0.15 0.00 -0.89 0.00 -0.73 0.00 0.00 179.01 177.24 1s76 h ARG 478 N 0.00 0.26 -0.91 1.92 3.08 -1.18 -2.62 114.38 114.94 1s76 h ARG 478 Ca 0.00 -0.45 0.01 0.00 0.07 0.00 0.00 59.98 59.62 1s76 h ARG 478 Cb 0.51 0.17 -0.05 0.00 0.08 0.00 0.00 29.97 30.68 1s76 h ARG 478 CO 0.00 1.22 0.60 0.82 -1.07 0.00 0.00 179.97 181.54 1s76 h ILE 479 N -0.41 1.22 -0.79 2.04 1.08 -1.33 0.39 117.51 119.71 1s76 h ILE 479 Ca -0.17 -0.42 0.00 0.00 -0.39 0.00 0.00 64.86 63.89 1s76 h ILE 479 Cb 1.62 -0.11 -0.04 0.00 -3.07 0.00 0.00 36.82 35.22 1s76 h ILE 479 CO 0.12 0.22 0.51 0.11 -0.69 0.00 0.00 178.15 178.42 1s76 h LYS 480 N 1.22 1.05 -0.09 2.37 6.56 -1.46 0.14 116.57 126.36 1s76 h LYS 480 Ca 0.34 -0.07 -0.00 0.00 -1.06 0.00 0.00 60.65 59.86 1s76 h LYS 480 Cb -0.11 -0.23 -0.00 0.00 -0.57 0.00 0.00 32.23 31.31 1s76 h LYS 480 CO -0.08 0.71 0.04 0.35 -2.06 0.00 0.00 179.45 178.41 1s76 h PHE 481 N 1.08 0.13 0.26 -1.35 3.57 -0.56 0.45 116.94 120.52 1s76 h PHE 481 Ca 0.29 -0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.77 1s76 h PHE 481 Cb -0.10 -0.04 0.00 0.00 2.79 0.00 0.00 35.95 38.60 1s76 h PHE 481 CO 0.00 0.20 -0.13 0.82 -2.23 0.00 0.00 178.31 176.97 1s76 h ILE 482 N 0.02 0.78 -0.25 1.41 1.08 -0.70 -2.51 117.51 117.34 1s76 h ILE 482 Ca 0.03 -0.29 0.00 0.00 -0.39 0.00 0.00 64.86 64.21 1s76 h ILE 482 Cb 0.12 0.95 -0.01 0.00 -3.07 0.00 0.00 36.82 34.81 1s76 h ILE 482 CO -0.00 0.06 0.16 -0.33 -0.69 0.00 0.00 178.15 177.35 1s76 h GLU 483 N -0.50 0.33 0.00 2.37 5.08 -0.72 -1.50 114.58 119.63 1s76 h GLU 483 Ca -0.04 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.30 1s76 h GLU 483 Cb 0.37 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.55 1s76 h GLU 483 CO 0.06 0.23 0.00 0.39 -1.00 0.00 0.00 179.01 178.68 1s76 n GLU 484 N -4.91 0.44 -0.01 2.33 1.02 0.16 -1.27 120.64 118.40 1s76 n GLU 484 Ca -0.02 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.12 1s76 n GLU 484 Cb 0.03 -1.47 0.00 0.00 -0.02 0.00 0.00 31.44 29.98 1s76 n GLU 484 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1s76 n ASN 485 N -0.97 1.52 -0.25 1.62 4.13 -0.71 -4.86 115.26 115.74 1s76 n ASN 485 Ca 0.10 -1.80 -0.03 0.00 1.68 0.00 0.00 54.58 54.53 1s76 n ASN 485 Cb 0.05 -0.02 -0.01 0.00 -1.54 0.00 0.00 39.78 38.26 1s76 n ASN 485 CO 0.00 0.00 0.00 1.57 0.28 0.00 0.00 177.26 179.11 1s76 n HIS 486 N -0.41 -0.10 -0.33 3.10 -0.00 -0.39 -0.37 115.22 116.72 1s76 n HIS 486 Ca 0.01 0.78 -0.03 0.00 0.46 0.00 0.00 57.72 58.93 1s76 n HIS 486 Cb 0.33 -0.66 0.09 0.00 -0.12 0.00 0.00 29.99 29.62 1s76 n HIS 486 CO 0.00 0.00 0.00 0.93 0.46 0.00 0.00 176.34 177.73 1s76 h GLU 487 N 0.00 1.18 -0.48 1.57 4.39 -1.89 -1.71 114.58 117.64 1s76 h GLU 487 Ca 0.17 -0.08 0.01 0.00 0.34 0.00 0.00 59.36 59.80 1s76 h GLU 487 Cb 0.33 -0.26 -0.02 0.00 -0.10 0.00 0.00 28.75 28.70 1s76 h GLU 487 CO -0.61 0.79 0.31 -0.91 -1.16 0.00 0.00 179.01 177.43 1s76 h ASN 488 N 1.21 0.53 0.06 1.42 -0.26 -1.09 -1.00 115.58 116.45 1s76 h ASN 488 Ca 0.32 -0.01 0.01 0.00 -0.56 0.00 0.00 56.30 56.06 1s76 h ASN 488 Cb -0.12 -0.13 -0.02 0.00 -1.06 0.00 0.00 38.32 37.00 1s76 h ASN 488 CO -0.07 0.38 -0.11 0.40 -1.06 0.00 0.00 177.43 176.97 1s76 h ILE 489 N 0.63 0.73 -0.86 2.81 2.04 -1.07 -1.13 117.51 120.66 1s76 h ILE 489 Ca 0.18 0.00 0.02 0.00 1.00 0.00 0.00 64.86 66.06 1s76 h ILE 489 Cb -0.06 0.73 -0.05 0.00 -0.74 0.00 0.00 36.82 36.70 1s76 h ILE 489 CO -0.05 0.00 0.56 0.24 0.00 0.00 0.00 178.15 178.90 1s76 h MET 490 N -0.22 1.07 0.54 2.37 2.86 -1.12 -0.81 114.93 119.61 1s76 h MET 490 Ca 0.02 -0.06 -0.02 0.00 -2.06 0.00 0.00 59.70 57.58 1s76 h MET 490 Cb 0.24 -0.24 -0.02 0.00 0.06 0.00 0.00 31.60 31.64 1s76 h MET 490 CO -0.07 0.71 -0.45 0.00 1.06 0.00 0.00 176.91 178.16 1s76 h ALA 491 N 1.34 -1.05 -0.48 6.32 0.00 -0.76 0.29 119.26 124.93 1s76 h ALA 491 Ca 0.33 -0.19 0.08 0.00 0.00 0.00 0.00 54.91 55.14 1s76 h ALA 491 Cb -0.04 0.63 -0.03 0.00 0.00 0.00 0.00 17.79 18.35 1s76 h ALA 491 CO -0.10 -1.12 0.32 0.00 0.00 0.00 0.00 179.25 178.35 1s76 h ALA 493 N 1.75 0.86 0.00 0.00 0.00 -0.38 0.97 119.26 122.47 1s76 h ALA 493 Ca 0.22 -0.53 -0.01 0.00 0.00 0.00 0.00 54.91 54.58 1s76 h ALA 493 Cb 0.47 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.17 1s76 h ALA 493 CO -0.05 0.72 -0.06 -0.22 0.00 0.00 0.00 179.25 179.64 1s76 h LYS 494 N 0.19 0.00 -2.11 0.00 3.64 0.18 -3.41 116.57 115.07 1s76 h LYS 494 Ca -0.00 0.00 -0.56 0.00 -1.27 0.00 0.00 60.65 58.82 1s76 h LYS 494 Cb 1.08 0.00 -0.41 0.00 -0.41 0.00 0.00 32.23 32.50 1s76 h LYS 494 CO 0.09 0.93 -0.91 0.43 -2.27 0.00 0.00 179.45 177.73 1s76 n SER 495 N -4.61 2.13 -0.37 4.20 7.64 0.06 -4.90 113.62 117.77 1s76 n SER 495 Ca -0.10 -3.17 0.28 0.00 1.01 0.00 0.00 58.87 56.89 1s76 n SER 495 Cb 0.46 -0.63 0.55 0.00 -1.01 0.00 0.00 64.21 63.59 1s76 n SER 495 CO 0.00 0.00 0.00 1.55 -3.01 0.00 0.00 175.04 173.58 1s76 h PRO 496 N 3.59 0.26 0.69 1.43 0.13 -0.96 4.18 132.00 141.31 1s76 h PRO 496 Ca 0.12 -0.02 -0.03 0.00 -0.87 0.00 0.00 66.00 65.20 1s76 h PRO 496 Cb 0.77 -0.06 0.01 0.00 0.13 0.00 0.00 31.00 31.85 1s76 h PRO 496 CO 0.64 0.17 -0.33 -0.07 -0.23 0.00 0.00 178.00 178.18 1s76 h LEU 497 N 0.27 -0.79 -0.52 1.56 3.38 -1.91 -3.28 115.31 114.02 1s76 h LEU 497 Ca 0.71 0.03 -0.07 0.00 0.09 0.00 0.00 57.88 58.64 1s76 h LEU 497 Cb 1.94 0.20 -0.02 0.00 0.09 0.00 0.00 40.66 42.87 1s76 h LEU 497 CO -0.40 -0.50 0.06 -0.33 0.09 0.00 0.00 178.44 177.36 1s76 h GLU 498 N -1.05 0.88 -3.66 1.13 5.08 0.16 -3.39 114.58 113.73 1s76 h GLU 498 Ca -0.10 -0.25 -0.73 0.00 -1.00 0.00 0.00 59.36 57.28 1s76 h GLU 498 Cb 0.71 -0.10 -0.32 0.00 0.50 0.00 0.00 28.75 29.55 1s76 h GLU 498 CO 0.16 0.87 -0.18 -0.80 -1.00 0.00 0.00 179.01 178.06 1s76 s ASN 499 N -6.30 5.83 0.00 1.42 0.02 1.31 -5.04 114.94 112.17 1s76 s ASN 499 Ca -0.12 -2.81 0.00 0.00 -1.02 0.00 0.00 52.86 48.90 1s76 s ASN 499 Cb 0.12 -1.99 0.00 0.00 0.02 0.00 0.00 41.25 39.40 1s76 s ASN 499 CO 0.82 -0.44 0.00 0.35 0.02 0.00 0.00 177.10 177.84 1s76 n THR 500 N 3.64 0.00 0.00 1.60 -2.24 -1.25 -3.97 114.28 112.07 1s76 n THR 500 Ca 0.10 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.88 1s76 n THR 500 Cb 0.41 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.64 1s76 n THR 500 CO 0.00 0.00 0.00 1.87 -0.57 0.00 0.00 175.07 176.37 1s76 n TRP 501 N 0.00 0.00 0.25 4.78 -0.00 -1.26 -4.66 117.44 116.55 1s76 n TRP 501 Ca 0.00 0.00 0.09 0.00 -0.00 0.00 0.00 57.50 57.59 1s76 n TRP 501 Cb 0.00 0.00 0.65 0.00 -0.00 0.00 0.00 31.31 31.96 1s76 n TRP 501 CO 0.00 0.00 0.00 0.11 -0.00 0.00 0.00 177.69 177.80 1s76 h TRP 502 N 0.00 0.00 -0.24 5.87 5.08 -1.92 0.28 115.95 125.02 1s76 h TRP 502 Ca 0.00 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.97 1s76 h TRP 502 Cb 0.00 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.16 1s76 h TRP 502 CO 0.00 0.12 0.00 0.00 -1.28 0.00 0.00 178.44 177.28 1s76 n ALA 503 N -2.41 2.47 -0.42 0.11 0.00 -1.26 -3.10 120.51 115.90 1s76 n ALA 503 Ca -0.02 -0.42 0.05 0.00 0.00 0.00 0.00 53.44 53.04 1s76 n ALA 503 Cb 0.20 -0.98 0.12 0.00 0.00 0.00 0.00 19.45 18.79 1s76 n ALA 503 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1s76 n GLU 504 N 0.20 2.64 -4.10 0.00 1.02 0.99 -4.12 120.64 117.28 1s76 n GLU 504 Ca 0.08 -2.10 -0.29 0.00 -0.02 0.00 0.00 57.16 54.83 1s76 n GLU 504 Cb 0.21 -1.32 -0.07 0.00 -0.02 0.00 0.00 31.44 30.24 1s76 n GLU 504 CO 0.00 0.00 0.00 -0.65 1.18 0.00 0.00 177.13 177.66 1s76 s GLN 505 N -1.66 2.71 0.25 3.49 -1.52 -1.18 -5.03 119.66 116.72 1s76 s GLN 505 Ca 0.20 -0.82 -0.12 0.00 -1.95 0.00 0.00 55.36 52.67 1s76 s GLN 505 Cb 0.15 -2.61 0.33 0.00 -0.22 0.00 0.00 33.01 30.66 1s76 s GLN 505 CO 0.07 0.53 1.58 -0.44 -0.25 0.00 0.00 175.29 176.78 1s76 h ASP 506 N 3.14 -0.98 -3.75 5.90 3.45 -1.65 -2.60 116.42 119.93 1s76 h ASP 506 Ca -0.47 0.27 -0.72 0.00 0.43 0.00 0.00 57.03 56.54 1s76 h ASP 506 Cb 1.17 0.59 -0.34 0.00 -0.56 0.00 0.00 39.33 40.20 1s76 h ASP 506 CO 0.62 -0.29 -0.15 -0.44 -1.57 0.00 0.00 179.24 177.41 1s76 s SER 507 N -5.26 5.86 0.03 6.45 0.01 0.12 -4.97 113.70 115.95 1s76 s SER 507 Ca -0.15 -3.25 -0.24 0.00 1.31 0.00 0.00 55.95 53.63 1s76 s SER 507 Cb 0.23 -1.94 -0.13 0.00 0.21 0.00 0.00 66.02 64.38 1s76 s SER 507 CO 0.75 -0.31 1.31 1.55 0.41 0.00 0.00 173.24 176.95 1s76 h PRO 508 N 6.67 -0.83 -0.27 12.44 0.13 -1.62 0.13 132.00 148.65 1s76 h PRO 508 Ca 0.09 0.06 -0.04 0.00 -0.87 0.00 0.00 66.00 65.23 1s76 h PRO 508 Cb 0.90 0.19 -0.02 0.00 0.13 0.00 0.00 31.00 32.20 1s76 h PRO 508 CO 0.79 -0.55 -0.00 0.74 -0.23 0.00 0.00 178.00 178.75 1s76 h PHE 509 N -0.89 0.42 -0.14 1.56 0.04 -1.86 0.46 116.94 116.54 1s76 h PHE 509 Ca -0.09 -0.03 -0.12 0.00 2.80 0.00 0.00 57.97 60.53 1s76 h PHE 509 Cb 0.66 -0.13 0.00 0.00 2.20 0.00 0.00 35.95 38.69 1s76 h PHE 509 CO 0.08 0.43 -0.37 0.00 -0.60 0.00 0.00 178.31 177.84 1s76 h PHE 511 N 0.13 0.49 -0.16 0.00 3.57 -0.19 0.77 116.94 121.55 1s76 h PHE 511 Ca -0.01 0.01 0.04 0.00 3.53 0.00 0.00 57.97 61.55 1s76 h PHE 511 Cb 0.98 -0.16 -0.04 0.00 2.79 0.00 0.00 35.95 39.52 1s76 h PHE 511 CO 0.10 0.30 -0.10 1.25 -2.23 0.00 0.00 178.31 177.63 1s76 h LEU 512 N 0.53 -0.31 -1.18 0.59 5.85 -0.00 0.44 115.31 121.22 1s76 h LEU 512 Ca 0.16 0.07 0.21 0.00 0.84 0.00 0.00 57.88 59.17 1s76 h LEU 512 Cb -0.02 0.17 -0.10 0.00 0.37 0.00 0.00 40.66 41.08 1s76 h LEU 512 CO -0.06 -0.13 0.62 0.00 -0.34 0.00 0.00 178.44 178.53 1s76 h ALA 513 N 1.04 1.91 -0.07 1.25 0.00 0.50 -0.07 119.26 123.82 1s76 h ALA 513 Ca 0.09 0.07 -0.22 0.00 0.00 0.00 0.00 54.91 54.85 1s76 h ALA 513 Cb 0.23 -0.04 0.01 0.00 0.00 0.00 0.00 17.79 17.99 1s76 h ALA 513 CO -0.22 -0.28 -0.80 0.35 0.00 0.00 0.00 179.25 178.30 1s76 h PHE 514 N 0.60 0.95 -0.83 0.00 3.04 0.17 -3.13 116.94 117.74 1s76 h PHE 514 Ca 0.57 -0.46 0.12 0.00 3.98 0.00 0.00 57.97 62.18 1s76 h PHE 514 Cb 1.12 -0.13 -0.08 0.00 2.56 0.00 0.00 35.95 39.41 1s76 h PHE 514 CO -0.00 1.29 0.44 0.00 -2.02 0.00 0.00 178.31 178.01 1s76 h PHE 516 N 0.68 -0.72 -0.74 0.00 0.05 -1.31 -0.74 116.94 114.15 1s76 h PHE 516 Ca 0.43 -0.00 -0.03 0.00 3.82 0.00 0.00 57.97 62.18 1s76 h PHE 516 Cb 0.53 0.26 -0.03 0.00 2.00 0.00 0.00 35.95 38.71 1s76 h PHE 516 CO -0.08 -0.41 0.33 0.93 -0.18 0.00 0.00 178.31 178.90 1s76 h GLU 517 N -0.66 1.07 -0.36 1.51 4.39 -1.35 -1.04 114.58 118.15 1s76 h GLU 517 Ca -0.04 -0.16 0.02 0.00 0.34 0.00 0.00 59.36 59.52 1s76 h GLU 517 Cb 0.55 -0.19 -0.03 0.00 -0.10 0.00 0.00 28.75 28.99 1s76 h GLU 517 CO 0.02 0.84 0.19 -0.92 -1.16 0.00 0.00 179.01 177.98 1s76 h TYR 518 N 1.06 0.36 -0.71 4.33 5.03 -0.37 -0.35 116.97 126.32 1s76 h TYR 518 Ca 0.25 0.01 -0.01 0.00 2.58 0.00 0.00 58.73 61.57 1s76 h TYR 518 Cb 0.14 -0.11 -0.03 0.00 1.55 0.00 0.00 36.73 38.27 1s76 h TYR 518 CO 0.01 0.20 0.41 0.00 -1.32 0.00 0.00 178.16 177.46 1s76 h ALA 519 N 1.17 1.39 -0.58 1.82 0.00 -0.67 -1.80 119.26 120.59 1s76 h ALA 519 Ca 0.14 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1s76 h ALA 519 Cb 0.03 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 17.51 1s76 h ALA 519 CO -0.08 0.52 0.37 0.78 0.00 0.00 0.00 179.25 180.83 1s76 h GLY 520 N 1.01 0.83 1.05 0.00 0.00 0.05 -0.77 103.07 105.24 1s76 h GLY 520 Ca 0.25 -0.32 0.04 0.00 0.00 0.00 0.00 47.33 47.30 1s76 h GLY 520 CO -0.04 0.32 0.55 -2.08 0.00 0.00 0.00 176.54 175.28 1s76 h VAL 521 N 0.79 1.13 -0.19 4.60 2.07 -0.29 0.22 116.25 124.58 1s76 h VAL 521 Ca 0.21 -0.35 -0.02 0.00 0.82 0.00 0.00 66.70 67.36 1s76 h VAL 521 Cb -0.06 0.01 -0.01 0.00 -1.52 0.00 0.00 31.29 29.71 1s76 h VAL 521 CO -0.04 0.19 0.04 1.56 0.02 0.00 0.00 177.57 179.33 1s76 h GLN 522 N 1.03 0.31 0.00 1.57 1.08 -0.70 1.23 115.11 119.63 1s76 h GLN 522 Ca 0.33 -0.08 0.00 0.00 -1.45 0.00 0.00 58.65 57.46 1s76 h GLN 522 Cb 0.05 -0.04 0.00 0.00 -0.05 0.00 0.00 27.48 27.44 1s76 h GLN 522 CO -0.10 0.46 0.00 0.45 -0.95 0.00 0.00 178.83 178.69 1s76 h HIS 523 N 0.11 0.00 0.00 2.96 3.86 -0.64 -3.37 115.15 118.07 1s76 h HIS 523 Ca 0.06 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.27 1s76 h HIS 523 Cb 0.30 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.77 1s76 h HIS 523 CO 0.02 0.00 -0.43 0.72 0.86 0.00 0.00 177.93 179.09 1s76 n HIS 524 N -2.61 0.00 0.00 2.45 8.25 0.73 -5.08 115.22 118.96 1s76 n HIS 524 Ca 0.03 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.49 1s76 n HIS 524 Cb 0.36 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.47 1s76 n HIS 524 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1s76 n GLY 525 N 1.19 -0.41 0.00 -1.41 0.00 0.42 -4.48 105.19 100.50 1s76 n GLY 525 Ca 0.00 -1.83 0.00 0.00 0.00 0.00 0.00 46.02 44.19 1s76 n GLY 525 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1s76 n LEU 526 N -0.55 0.00 -0.86 0.99 4.77 -1.26 -1.23 117.00 118.86 1s76 n LEU 526 Ca 0.00 0.41 0.09 0.00 -0.03 0.00 0.00 56.01 56.48 1s76 n LEU 526 Cb 0.00 -0.41 0.26 0.00 -2.33 0.00 0.00 43.42 40.95 1s76 n LEU 526 CO 0.00 -0.41 0.71 -1.54 -1.33 0.00 0.00 177.39 174.83 1s76 n SER 527 N -1.40 2.52 -4.68 -1.43 3.41 -1.26 -0.56 113.62 110.23 1s76 n SER 527 Ca 0.00 -1.91 -0.42 0.00 -0.26 0.00 0.00 58.87 56.27 1s76 n SER 527 Cb 0.03 -0.25 -0.03 0.00 -0.26 0.00 0.00 64.21 63.71 1s76 n SER 527 CO 0.00 0.00 0.00 -0.47 -0.16 0.00 0.00 175.04 174.41 1s76 s TYR 528 N -1.50 1.93 -0.12 7.33 5.04 -0.37 -4.48 117.35 125.19 1s76 s TYR 528 Ca 0.34 -0.02 -0.29 0.00 -2.44 0.00 0.00 57.07 54.65 1s76 s TYR 528 Cb 0.18 -4.10 -0.03 0.00 0.35 0.00 0.00 41.96 38.37 1s76 s TYR 528 CO 0.25 -4.63 1.44 1.21 -1.34 0.00 0.00 175.55 172.48 1s76 s ASN 529 N 3.25 6.81 -0.03 4.32 3.84 -1.26 0.10 114.94 131.97 1s76 s ASN 529 Ca 0.80 1.91 0.05 0.00 0.21 0.00 0.00 52.86 55.83 1s76 s ASN 529 Cb -0.41 -2.54 -0.01 0.00 -0.55 0.00 0.00 41.25 37.75 1s76 s ASN 529 CO 0.36 -0.85 -0.17 0.00 -2.79 0.00 0.00 177.10 173.65 1s76 n SER 531 N 2.99 1.41 -4.63 0.00 3.41 -1.26 -2.42 113.62 113.11 1s76 n SER 531 Ca -0.17 -2.01 -0.43 0.00 -0.26 0.00 0.00 58.87 56.01 1s76 n SER 531 Cb 0.53 -0.11 -0.03 0.00 -0.26 0.00 0.00 64.21 64.34 1s76 n SER 531 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 1s76 s LEU 532 N -1.07 3.99 -0.06 1.04 2.96 -1.26 -1.68 118.68 122.60 1s76 s LEU 532 Ca 0.07 2.07 -0.30 0.00 -0.22 0.00 0.00 54.13 55.74 1s76 s LEU 532 Cb 0.06 -3.53 -0.09 0.00 0.50 0.00 0.00 46.19 43.14 1s76 s LEU 532 CO 0.01 -1.33 2.04 -0.81 -1.32 0.00 0.00 176.35 174.93 1s76 n PRO 533 N 7.84 2.46 -3.15 0.98 -0.04 -1.25 -4.07 135.00 137.77 1s76 n PRO 533 Ca 0.22 0.85 -0.43 0.00 -0.04 0.00 0.00 63.50 64.10 1s76 n PRO 533 Cb 0.44 -2.99 -0.07 0.00 -0.04 0.00 0.00 33.50 30.83 1s76 n PRO 533 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1s76 s LEU 534 N 5.52 4.49 -0.27 1.53 1.43 0.58 -4.83 118.68 127.12 1s76 s LEU 534 Ca 0.94 -0.28 -0.26 0.00 -1.03 0.00 0.00 54.13 53.50 1s76 s LEU 534 Cb -0.47 -2.68 0.00 0.00 0.03 0.00 0.00 46.19 43.07 1s76 s LEU 534 CO 0.42 -0.70 0.91 0.00 0.23 0.00 0.00 176.35 177.21 1s76 s ALA 535 N 2.69 3.60 -0.38 4.21 0.00 -1.26 -2.86 121.76 127.75 1s76 s ALA 535 Ca 0.21 -0.13 -0.11 0.00 0.00 0.00 0.00 51.96 51.93 1s76 s ALA 535 Cb -0.15 -3.42 0.03 0.00 0.00 0.00 0.00 23.12 19.59 1s76 s ALA 535 CO 0.17 -1.14 0.22 -0.06 0.00 0.00 0.00 175.76 174.96 1s76 s PHE 536 N 3.11 3.25 -0.13 0.00 0.08 0.29 -4.94 117.98 119.64 1s76 s PHE 536 Ca 0.38 -0.98 0.03 0.00 0.12 0.00 0.00 56.93 56.48 1s76 s PHE 536 Cb -0.14 -2.49 0.01 0.00 -0.57 0.00 0.00 43.02 39.83 1s76 s PHE 536 CO 0.10 -0.66 -0.22 0.34 -0.10 0.00 0.00 175.22 174.68 1s76 s ASP 537 N 1.60 3.13 0.87 1.36 2.15 -1.26 0.10 116.67 124.63 1s76 s ASP 537 Ca 0.02 -0.59 -0.12 0.00 0.43 0.00 0.00 52.55 52.29 1s76 s ASP 537 Cb -0.19 -1.44 0.09 0.00 -0.30 0.00 0.00 42.92 41.07 1s76 s ASP 537 CO 0.07 0.10 0.95 0.61 -0.17 0.00 0.00 175.17 176.73 1s76 n GLY 538 N 3.95 -0.71 3.26 2.66 0.00 -0.85 -4.58 105.19 108.93 1s76 n GLY 538 Ca -0.20 -0.62 -0.44 0.00 0.00 0.00 0.00 46.02 44.77 1s76 n GLY 538 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1s76 s SER 539 N -2.23 6.05 -0.75 1.61 1.04 -1.24 -4.56 113.70 113.62 1s76 s SER 539 Ca 0.67 -2.04 -0.04 0.00 0.48 0.00 0.00 55.95 55.01 1s76 s SER 539 Cb -0.26 -2.12 -0.05 0.00 0.10 0.00 0.00 66.02 63.70 1s76 s SER 539 CO 0.58 -0.72 0.66 0.00 0.98 0.00 0.00 173.24 174.73 1s76 h SER 541 N -0.71 0.00 0.04 0.00 4.64 -1.94 -2.17 113.55 113.40 1s76 h SER 541 Ca -0.42 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 60.90 1s76 h SER 541 Cb 1.21 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.30 1s76 h SER 541 CO 0.31 0.00 -0.06 1.23 -0.87 0.00 0.00 176.83 177.44 1s76 h GLY 542 N 0.00 -0.95 1.79 -0.77 0.00 -1.93 0.11 103.07 101.31 1s76 h GLY 542 Ca 0.38 0.42 -0.02 0.00 0.00 0.00 0.00 47.33 48.11 1s76 h GLY 542 CO -0.00 -0.35 0.04 -2.22 0.00 0.00 0.00 176.54 174.01 1s76 h ILE 543 N -0.11 1.11 0.37 2.60 1.08 -1.77 -2.15 117.51 118.64 1s76 h ILE 543 Ca -0.00 -0.37 -0.01 0.00 -0.39 0.00 0.00 64.86 64.08 1s76 h ILE 543 Cb 0.10 0.91 -0.01 0.00 -3.07 0.00 0.00 36.82 34.75 1s76 h ILE 543 CO -0.02 0.13 -0.25 1.56 -0.69 0.00 0.00 178.15 178.88 1s76 h GLN 544 N 0.28 -0.58 -0.80 2.37 4.20 -1.17 0.81 115.11 120.22 1s76 h GLN 544 Ca 0.07 0.04 0.08 0.00 0.06 0.00 0.00 58.65 58.90 1s76 h GLN 544 Cb 0.13 0.13 -0.07 0.00 0.30 0.00 0.00 27.48 27.97 1s76 h GLN 544 CO -0.00 -0.39 0.46 0.45 -0.67 0.00 0.00 178.83 178.68 1s76 h HIS 545 N -0.60 0.85 -0.15 2.96 3.86 -0.37 0.45 115.15 122.15 1s76 h HIS 545 Ca -0.04 0.03 -0.01 0.00 -1.16 0.00 0.00 60.37 59.19 1s76 h HIS 545 Cb 0.51 -0.26 -0.01 0.00 1.06 0.00 0.00 27.41 28.71 1s76 h HIS 545 CO -0.11 0.38 0.04 0.74 0.86 0.00 0.00 177.93 179.84 1s76 h PHE 546 N 0.81 0.25 -0.69 2.45 0.04 -1.05 -2.17 116.94 116.58 1s76 h PHE 546 Ca 0.37 -0.03 0.06 0.00 2.80 0.00 0.00 57.97 61.17 1s76 h PHE 546 Cb 0.28 -0.07 -0.04 0.00 2.20 0.00 0.00 35.95 38.32 1s76 h PHE 546 CO -0.06 0.38 0.45 0.77 -0.60 0.00 0.00 178.31 179.26 1s76 h SER 547 N 0.05 0.63 0.30 2.17 0.02 0.18 -2.67 113.55 114.22 1s76 h SER 547 Ca 0.05 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 60.98 1s76 h SER 547 Cb 0.26 -0.14 0.00 0.00 0.14 0.00 0.00 62.40 62.66 1s76 h SER 547 CO 0.00 0.41 -0.15 0.00 -1.14 0.00 0.00 176.83 175.96 1s76 h ALA 548 N 1.62 -0.41 0.00 3.77 0.00 0.25 0.26 119.26 124.75 1s76 h ALA 548 Ca 0.29 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 55.02 1s76 h ALA 548 Cb 0.24 0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.18 1s76 h ALA 548 CO -0.09 -0.55 0.00 0.00 0.00 0.00 0.00 179.25 178.60 1s76 n MET 549 N -5.12 0.21 0.00 0.00 0.00 -0.85 -2.28 117.12 109.07 1s76 n MET 549 Ca -0.09 0.14 0.02 0.00 0.00 0.00 0.00 57.70 57.76 1s76 n MET 549 Cb 0.26 -1.50 -0.01 0.00 0.00 0.00 0.00 33.22 31.97 1s76 n MET 549 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 175.97 177.25 1s76 n LEU 550 N -1.30 0.55 -1.90 3.17 4.77 -1.02 -4.89 117.00 116.39 1s76 n LEU 550 Ca 0.07 -0.67 -0.20 0.00 -0.03 0.00 0.00 56.01 55.18 1s76 n LEU 550 Cb 0.13 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.17 1s76 n LEU 550 CO 0.12 0.12 -0.22 0.54 -1.33 0.00 0.00 177.39 176.62 1s76 n ARG 551 N -0.65 -1.51 -1.82 3.23 5.12 0.46 0.14 116.66 121.63 1s76 n ARG 551 Ca 0.01 1.12 -0.39 0.00 -1.93 0.00 0.00 57.85 56.66 1s76 n ARG 551 Cb 0.07 -5.60 -0.03 0.00 -1.16 0.00 0.00 32.46 25.74 1s76 n ARG 551 CO 0.00 0.00 0.00 0.34 -1.93 0.00 0.00 177.63 176.04 1s76 s ASP 552 N -2.48 5.17 0.11 0.55 3.68 0.61 -0.36 116.67 123.95 1s76 s ASP 552 Ca 0.00 0.99 -0.12 0.00 2.13 0.00 0.00 52.55 55.55 1s76 s ASP 552 Cb 0.00 -2.52 -0.12 0.00 -1.45 0.00 0.00 42.92 38.83 1s76 s ASP 552 CO 0.00 -2.33 1.36 -0.08 0.13 0.00 0.00 175.17 174.24 1s76 h GLU 553 N 15.97 0.84 0.32 4.34 4.81 -1.89 0.43 114.58 139.40 1s76 h GLU 553 Ca -0.29 -0.60 -0.02 0.00 -0.13 0.00 0.00 59.36 58.32 1s76 h GLU 553 Cb 1.21 0.10 0.00 0.00 0.63 0.00 0.00 28.75 30.69 1s76 h GLU 553 CO 1.12 1.22 -0.16 0.28 -0.73 0.00 0.00 179.01 180.75 1s76 h VAL 554 N 0.61 0.68 0.42 0.32 2.07 -1.99 0.52 116.25 118.88 1s76 h VAL 554 Ca -0.02 -0.02 -0.02 0.00 0.82 0.00 0.00 66.70 67.46 1s76 h VAL 554 Cb 1.27 0.70 0.00 0.00 -1.52 0.00 0.00 31.29 31.74 1s76 h VAL 554 CO 0.14 0.00 -0.21 1.23 0.02 0.00 0.00 177.57 178.76 1s76 h GLY 555 N -0.45 -0.60 0.06 2.17 0.00 -1.87 -1.25 103.07 101.14 1s76 h GLY 555 Ca -0.04 0.23 0.16 0.00 0.00 0.00 0.00 47.33 47.67 1s76 h GLY 555 CO 0.07 -0.22 0.32 -1.33 0.00 0.00 0.00 176.54 175.38 1s76 h GLY 556 N -0.57 1.23 0.19 4.60 0.00 -0.80 0.49 103.07 108.21 1s76 h GLY 556 Ca -0.06 -0.15 0.02 0.00 0.00 0.00 0.00 47.33 47.15 1s76 h GLY 556 CO 0.09 -0.14 -0.45 -0.09 0.00 0.00 0.00 176.54 175.95 1s76 h ARG 557 N 0.44 -0.63 -0.44 4.80 9.65 0.53 0.66 114.38 129.38 1s76 h ARG 557 Ca 0.45 0.04 0.09 0.00 -1.10 0.00 0.00 59.98 59.46 1s76 h ARG 557 Cb 0.72 0.14 -0.08 0.00 -1.39 0.00 0.00 29.97 29.37 1s76 h ARG 557 CO -0.44 -0.42 -0.07 0.00 2.80 0.00 0.00 179.97 181.84 1s76 h ALA 558 N -0.22 0.33 -0.55 2.80 0.00 0.11 -2.25 119.26 119.48 1s76 h ALA 558 Ca 0.02 0.16 -0.36 0.00 0.00 0.00 0.00 54.91 54.73 1s76 h ALA 558 Cb 0.70 0.30 -0.16 0.00 0.00 0.00 0.00 17.79 18.62 1s76 h ALA 558 CO -0.28 -0.43 0.46 1.33 0.00 0.00 0.00 179.25 180.33 1s76 n VAL 559 N -5.29 2.78 -3.85 0.00 0.24 -0.01 -3.79 118.33 108.41 1s76 n VAL 559 Ca 0.03 -1.70 -0.30 0.00 -2.04 0.00 0.00 64.34 60.33 1s76 n VAL 559 Cb 0.24 -1.21 -0.01 0.00 -1.47 0.00 0.00 33.84 31.39 1s76 n VAL 559 CO 0.00 0.00 0.00 0.59 -2.14 0.00 0.00 176.83 175.28 1s76 n ASN 560 N 0.07 -3.69 -1.13 -1.34 3.02 -0.69 -4.78 115.26 106.72 1s76 n ASN 560 Ca 0.34 -0.73 0.04 0.00 -0.03 0.00 0.00 54.58 54.19 1s76 n ASN 560 Cb 0.68 -3.02 0.19 0.00 -0.61 0.00 0.00 39.78 37.03 1s76 n ASN 560 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 1s76 n LEU 561 N -4.17 3.16 -3.75 3.41 4.32 0.22 -3.09 117.00 117.10 1s76 n LEU 561 Ca 0.04 -1.60 -0.13 0.00 -0.02 0.00 0.00 56.01 54.30 1s76 n LEU 561 Cb 0.51 -0.56 -0.09 0.00 -1.62 0.00 0.00 43.42 41.67 1s76 n LEU 561 CO 0.71 0.44 0.03 -0.76 -1.22 0.00 0.00 177.39 176.59 1s76 s LEU 562 N -1.30 0.80 0.40 2.23 1.43 -1.26 -3.73 118.68 117.25 1s76 s LEU 562 Ca 0.26 0.12 -0.26 0.00 -1.03 0.00 0.00 54.13 53.23 1s76 s LEU 562 Cb 0.19 1.30 -0.11 0.00 0.03 0.00 0.00 46.19 47.61 1s76 s LEU 562 CO 0.08 -0.44 1.16 -0.81 0.23 0.00 0.00 176.35 176.58 1s76 n PRO 563 N 1.32 1.71 -3.65 1.29 -0.04 -1.26 -4.68 135.00 129.69 1s76 n PRO 563 Ca -0.21 0.61 -0.10 0.00 -0.04 0.00 0.00 63.50 63.75 1s76 n PRO 563 Cb 0.56 -2.22 -0.05 0.00 -0.04 0.00 0.00 33.50 31.76 1s76 n PRO 563 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1s76 s SER 564 N -0.58 -0.21 -0.01 3.54 0.15 -1.26 -4.99 113.70 110.34 1s76 s SER 564 Ca 0.61 -0.34 -0.09 0.00 0.70 0.00 0.00 55.95 56.82 1s76 s SER 564 Cb -0.55 0.46 -0.05 0.00 -1.71 0.00 0.00 66.02 64.17 1s76 s SER 564 CO 0.58 -0.84 0.65 1.05 1.20 0.00 0.00 173.24 175.88 1s76 h GLU 565 N 2.39 -0.33 -6.21 5.44 9.09 -2.02 -3.46 114.58 119.48 1s76 h GLU 565 Ca -0.34 0.02 -0.48 0.00 0.05 0.00 0.00 59.36 58.61 1s76 h GLU 565 Cb 1.25 0.07 -0.03 0.00 -1.65 0.00 0.00 28.75 28.40 1s76 h GLU 565 CO 0.48 -0.22 -0.46 -0.08 0.05 0.00 0.00 179.01 178.78 1s76 s THR 566 N -2.89 4.46 0.07 -1.06 -1.32 -1.26 -4.72 115.64 108.91 1s76 s THR 566 Ca -0.05 -1.22 -0.30 0.00 -1.21 0.00 0.00 61.69 58.90 1s76 s THR 566 Cb 0.00 -3.49 -0.06 0.00 -1.51 0.00 0.00 72.50 67.45 1s76 s THR 566 CO 0.15 -0.28 1.16 0.54 -2.21 0.00 0.00 174.62 173.97 1s76 s VAL 567 N -2.13 4.10 -0.07 5.08 0.11 -1.26 -4.99 120.40 121.24 1s76 s VAL 567 Ca 0.36 1.55 -0.27 0.00 -2.93 0.00 0.00 61.98 60.69 1s76 s VAL 567 Cb -0.08 -3.99 -0.02 0.00 -1.53 0.00 0.00 36.38 30.75 1s76 s VAL 567 CO 0.27 0.15 0.88 -1.10 -3.33 0.00 0.00 175.10 171.97 1s76 s GLN 568 N 0.81 4.44 -0.47 1.54 -1.52 -1.26 -4.90 119.66 118.31 1s76 s GLN 568 Ca 0.56 1.18 0.00 0.00 -1.95 0.00 0.00 55.36 55.16 1s76 s GLN 568 Cb -0.28 -3.50 0.12 0.00 -0.22 0.00 0.00 33.01 29.13 1s76 s GLN 568 CO 0.30 -0.13 0.23 0.34 -0.25 0.00 0.00 175.29 175.78 1s76 s ASP 569 N 1.00 4.94 0.55 5.90 3.68 -1.26 -4.44 116.67 127.03 1s76 s ASP 569 Ca 0.44 -2.46 0.26 0.00 2.13 0.00 0.00 52.55 52.92 1s76 s ASP 569 Cb -0.19 -1.75 1.44 0.00 -1.45 0.00 0.00 42.92 40.98 1s76 s ASP 569 CO 0.20 -0.40 2.01 -0.29 0.13 0.00 0.00 175.17 176.82 1s76 h ILE 570 N 5.99 0.67 -0.13 4.11 2.10 -1.95 0.18 117.51 128.48 1s76 h ILE 570 Ca -0.07 0.00 -0.21 0.00 1.08 0.00 0.00 64.86 65.66 1s76 h ILE 570 Cb 0.99 0.75 0.01 0.00 -1.09 0.00 0.00 36.82 37.48 1s76 h ILE 570 CO 0.66 0.00 -0.77 1.88 -1.08 0.00 0.00 178.15 178.83 1s76 h TYR 571 N 0.00 0.93 -0.56 2.19 0.05 -1.93 -2.12 116.97 115.53 1s76 h TYR 571 Ca 0.21 -0.41 -0.10 0.00 0.05 0.00 0.00 58.73 58.48 1s76 h TYR 571 Cb 0.89 -0.14 -0.02 0.00 1.01 0.00 0.00 36.73 38.47 1s76 h TYR 571 CO 0.00 1.23 -0.03 0.78 -1.05 0.00 0.00 178.16 179.09 1s76 h GLY 572 N 0.77 1.09 0.73 3.88 0.00 -1.14 0.13 103.07 108.53 1s76 h GLY 572 Ca -0.05 -0.82 0.07 0.00 0.00 0.00 0.00 47.33 46.52 1s76 h GLY 572 CO 0.15 0.76 0.62 -2.22 0.00 0.00 0.00 176.54 175.85 1s76 h ILE 573 N 0.89 1.07 0.00 2.60 2.04 -0.66 0.43 117.51 123.89 1s76 h ILE 573 Ca 0.15 -0.39 -0.19 0.00 1.00 0.00 0.00 64.86 65.44 1s76 h ILE 573 Cb 0.58 -0.15 -0.01 0.00 -0.74 0.00 0.00 36.82 36.49 1s76 h ILE 573 CO 0.03 0.21 -0.86 0.58 0.00 0.00 0.00 178.15 178.11 1s76 h VAL 574 N 1.13 1.52 -0.46 1.67 2.07 -1.11 -2.54 116.25 118.53 1s76 h VAL 574 Ca 0.42 -2.67 -0.07 0.00 0.82 0.00 0.00 66.70 65.20 1s76 h VAL 574 Cb 0.17 2.48 -0.02 0.00 -1.52 0.00 0.00 31.29 32.41 1s76 h VAL 574 CO -0.17 0.77 0.02 0.00 0.02 0.00 0.00 177.57 178.21 1s76 h ALA 575 N 1.03 0.62 -0.52 1.67 0.00 0.76 -0.91 119.26 121.91 1s76 h ALA 575 Ca -0.03 -0.26 -0.12 0.00 0.00 0.00 0.00 54.91 54.49 1s76 h ALA 575 Cb 1.49 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 19.10 1s76 h ALA 575 CO 0.13 0.40 -0.16 -0.22 0.00 0.00 0.00 179.25 179.40 1s76 h LYS 576 N 0.66 1.02 -0.08 0.00 1.63 -0.22 -2.27 116.57 117.30 1s76 h LYS 576 Ca 0.13 -0.40 -0.01 0.00 -0.85 0.00 0.00 60.65 59.52 1s76 h LYS 576 Cb 0.47 -0.05 -0.00 0.00 -0.60 0.00 0.00 32.23 32.05 1s76 h LYS 576 CO 0.02 1.09 0.03 -0.22 -3.45 0.00 0.00 179.45 176.92 1s76 h LYS 577 N 0.89 0.13 -0.35 1.90 1.63 -1.31 -2.30 116.57 117.16 1s76 h LYS 577 Ca 0.13 -0.03 0.07 0.00 -0.85 0.00 0.00 60.65 59.97 1s76 h LYS 577 Cb 0.74 -0.02 -0.07 0.00 -0.60 0.00 0.00 32.23 32.27 1s76 h LYS 577 CO 0.06 0.28 -0.14 0.28 -3.45 0.00 0.00 179.45 176.48 1s76 h VAL 578 N -0.05 0.55 -0.73 2.00 2.07 -1.12 -2.10 116.25 116.87 1s76 h VAL 578 Ca 0.03 0.00 0.16 0.00 0.82 0.00 0.00 66.70 67.71 1s76 h VAL 578 Cb 0.20 0.55 -0.11 0.00 -1.52 0.00 0.00 31.29 30.41 1s76 h VAL 578 CO -0.00 0.00 0.14 0.78 0.02 0.00 0.00 177.57 178.51 1s76 h ASN 579 N -0.07 -0.07 -0.97 0.57 -0.26 -1.09 0.19 115.58 113.89 1s76 h ASN 579 Ca 0.17 0.15 0.09 0.00 -0.56 0.00 0.00 56.30 56.16 1s76 h ASN 579 Cb 0.33 0.23 -0.07 0.00 -1.06 0.00 0.00 38.32 37.75 1s76 h ASN 579 CO -0.40 -0.07 0.62 -0.33 -1.06 0.00 0.00 177.43 176.20 1s76 h GLU 580 N 0.23 1.00 0.41 0.81 5.08 -0.83 0.99 114.58 122.27 1s76 h GLU 580 Ca 0.41 -0.06 -0.02 0.00 -1.00 0.00 0.00 59.36 58.69 1s76 h GLU 580 Cb 0.70 -0.23 0.00 0.00 0.50 0.00 0.00 28.75 29.73 1s76 h GLU 580 CO -0.54 0.66 -0.20 0.82 -1.00 0.00 0.00 179.01 178.76 1s76 h ILE 581 N 1.03 0.58 -0.24 3.13 1.08 -0.49 -2.22 117.51 120.38 1s76 h ILE 581 Ca 0.45 -0.32 0.05 0.00 -0.39 0.00 0.00 64.86 64.65 1s76 h ILE 581 Cb 0.35 0.73 -0.05 0.00 -3.07 0.00 0.00 36.82 34.78 1s76 h ILE 581 CO -0.20 0.06 -0.12 -0.07 -0.69 0.00 0.00 178.15 177.13 1s76 h LEU 582 N -0.74 -0.40 -1.96 1.44 3.38 -0.18 0.12 115.31 116.97 1s76 h LEU 582 Ca -0.06 0.09 0.25 0.00 0.09 0.00 0.00 57.88 58.26 1s76 h LEU 582 Cb 0.52 0.22 -0.03 0.00 0.09 0.00 0.00 40.66 41.45 1s76 h LEU 582 CO 0.09 -0.15 0.66 1.56 0.09 0.00 0.00 178.44 180.69 1s76 h GLN 583 N -0.09 0.00 -6.36 1.13 1.08 0.11 -3.37 115.11 107.61 1s76 h GLN 583 Ca 0.13 0.00 -0.59 0.00 -1.45 0.00 0.00 58.65 56.74 1s76 h GLN 583 Cb 0.28 0.00 -0.09 0.00 -0.05 0.00 0.00 27.48 27.62 1s76 h GLN 583 CO -0.29 0.00 0.71 0.00 -0.95 0.00 0.00 178.83 178.29 1s76 s ALA 584 N -4.89 3.21 -0.31 3.87 0.00 0.03 -4.99 121.76 118.68 1s76 s ALA 584 Ca -0.05 -0.68 0.02 0.00 0.00 0.00 0.00 51.96 51.25 1s76 s ALA 584 Cb 0.20 -3.73 0.09 0.00 0.00 0.00 0.00 23.12 19.68 1s76 s ALA 584 CO 0.73 -2.13 0.04 -0.51 0.00 0.00 0.00 175.76 173.89 1s76 s ASP 585 N 2.34 4.40 0.00 0.00 -0.00 -1.26 -3.87 116.67 118.28 1s76 s ASP 585 Ca 0.41 -1.83 0.00 0.00 -0.00 0.00 0.00 52.55 51.13 1s76 s ASP 585 Cb -0.09 -1.33 0.00 0.00 -0.00 0.00 0.00 42.92 41.50 1s76 s ASP 585 CO 0.28 -0.36 0.00 0.00 -0.00 0.00 0.00 175.17 175.09 1s76 n ALA 586 N 4.50 0.00 0.24 5.23 0.00 -1.20 -4.75 120.51 124.53 1s76 n ALA 586 Ca -0.01 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.55 1s76 n ALA 586 Cb 0.42 0.00 0.57 0.00 0.00 0.00 0.00 19.45 20.45 1s76 n ALA 586 CO 0.00 0.00 0.00 0.97 0.00 0.00 0.00 177.50 178.47 1s76 h ILE 587 N 0.00 0.50 0.00 0.00 2.10 -1.98 -3.31 117.51 114.82 1s76 h ILE 587 Ca 0.00 -0.88 0.00 0.00 1.08 0.00 0.00 64.86 65.06 1s76 h ILE 587 Cb 0.00 1.60 0.00 0.00 -1.09 0.00 0.00 36.82 37.33 1s76 h ILE 587 CO 0.00 0.17 -0.19 -3.20 -1.08 0.00 0.00 178.15 173.85 1s76 n ASN 588 N -3.43 0.94 -4.74 2.19 2.85 -1.26 -5.06 115.26 106.76 1s76 n ASN 588 Ca -0.00 -0.02 -0.37 0.00 -0.11 0.00 0.00 54.58 54.07 1s76 n ASN 588 Cb 0.36 0.23 -0.06 0.00 1.24 0.00 0.00 39.78 41.55 1s76 n ASN 588 CO 0.00 0.00 0.00 -0.83 -2.11 0.00 0.00 177.26 174.32 1s76 s GLY 589 N -0.42 2.33 0.44 8.20 0.00 -1.25 -4.41 107.32 112.21 1s76 s GLY 589 Ca 0.00 -0.29 0.06 0.00 0.00 0.00 0.00 44.72 44.49 1s76 s GLY 589 CO 0.00 0.57 0.05 -0.51 0.00 0.00 0.00 173.10 173.21 1s76 s THR 590 N 0.36 1.87 0.69 0.90 -4.23 -1.26 -3.24 115.64 110.73 1s76 s THR 590 Ca 0.22 -1.93 -0.11 0.00 -1.18 0.00 0.00 61.69 58.69 1s76 s THR 590 Cb -0.14 -2.79 0.01 0.00 1.34 0.00 0.00 72.50 70.91 1s76 s THR 590 CO 0.08 0.00 1.06 -1.81 -0.54 0.00 0.00 174.62 173.41 1s76 s ASP 591 N -3.80 5.48 -0.20 3.99 -0.00 -1.26 -3.58 116.67 117.30 1s76 s ASP 591 Ca 0.30 1.46 -0.18 0.00 -0.00 0.00 0.00 52.55 54.12 1s76 s ASP 591 Cb 0.07 -2.35 -0.03 0.00 -0.00 0.00 0.00 42.92 40.61 1s76 s ASP 591 CO 0.16 -1.36 0.51 0.20 -0.00 0.00 0.00 175.17 174.68 1s76 s ASN 592 N -3.99 6.55 0.20 0.27 0.01 -1.26 -4.34 114.94 112.38 1s76 s ASN 592 Ca 0.58 0.66 0.21 0.00 -0.71 0.00 0.00 52.86 53.60 1s76 s ASN 592 Cb -0.13 -2.29 0.00 0.00 0.41 0.00 0.00 41.25 39.25 1s76 s ASN 592 CO 0.54 -0.17 1.06 -0.33 -1.51 0.00 0.00 177.10 176.70 1s76 h GLU 593 N 7.44 0.00 0.00 -0.60 4.39 -2.09 -3.53 114.58 120.20 1s76 h GLU 593 Ca -0.34 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.36 1s76 h GLU 593 Cb 1.16 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.81 1s76 h GLU 593 CO 0.74 0.07 0.00 0.41 -1.16 0.00 0.00 179.01 179.07 1s76 n GLY 612 N 1.22 1.29 0.00 -3.84 0.00 -1.26 -5.37 105.19 97.23 1s76 n GLY 612 Ca -0.02 -1.00 0.00 0.00 0.00 0.00 0.00 46.02 45.01 1s76 n GLY 612 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1s76 n THR 613 N -0.60 0.00 0.00 2.61 -1.04 -1.24 -3.42 114.28 110.60 1s76 n THR 613 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 1s76 n THR 613 Cb 0.00 -0.11 0.00 0.00 -1.82 0.00 0.00 70.33 68.40 1s76 n THR 613 CO 0.00 0.00 0.00 1.17 -0.64 0.00 0.00 175.07 175.60 1s76 n LYS 614 N 0.00 0.00 -0.34 -2.82 4.81 -1.25 0.34 118.16 118.89 1s76 n LYS 614 Ca 0.00 0.00 0.15 0.00 -0.87 0.00 0.00 58.31 57.59 1s76 n LYS 614 Cb 0.00 0.00 0.35 0.00 0.02 0.00 0.00 35.03 35.40 1s76 n LYS 614 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1s76 h ALA 615 N 0.00 1.71 -0.16 3.14 0.00 -1.80 0.21 119.26 122.35 1s76 h ALA 615 Ca 0.00 0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.02 1s76 h ALA 615 Cb 0.00 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 1s76 h ALA 615 CO 0.00 -0.20 0.10 1.25 0.00 0.00 0.00 179.25 180.40 1s76 h LEU 616 N 0.62 0.18 -0.78 0.00 5.85 0.56 -1.38 115.31 120.37 1s76 h LEU 616 Ca 0.61 -0.02 0.01 0.00 0.84 0.00 0.00 57.88 59.33 1s76 h LEU 616 Cb 1.10 -0.05 -0.04 0.00 0.37 0.00 0.00 40.66 42.04 1s76 h LEU 616 CO -0.45 0.15 0.51 0.00 -0.34 0.00 0.00 178.44 178.31 1s76 h ALA 617 N 1.05 0.99 -0.92 1.25 0.00 -0.77 -1.62 119.26 119.24 1s76 h ALA 617 Ca 0.06 -0.05 0.11 0.00 0.00 0.00 0.00 54.91 55.02 1s76 h ALA 617 Cb -0.01 -0.31 -0.07 0.00 0.00 0.00 0.00 17.79 17.40 1s76 h ALA 617 CO -0.01 0.39 0.59 0.78 0.00 0.00 0.00 179.25 181.00 1s76 h GLY 618 N 1.05 1.37 1.06 0.00 0.00 -0.12 0.25 103.07 106.67 1s76 h GLY 618 Ca 0.29 -0.38 0.02 0.00 0.00 0.00 0.00 47.33 47.26 1s76 h GLY 618 CO -0.07 0.19 0.62 1.46 0.00 0.00 0.00 176.54 178.74 1s76 h GLN 619 N 0.90 1.20 -0.02 4.80 4.20 -0.27 -0.05 115.11 125.88 1s76 h GLN 619 Ca 0.44 -0.07 -0.08 0.00 0.06 0.00 0.00 58.65 58.99 1s76 h GLN 619 Cb 0.45 -0.27 0.01 0.00 0.30 0.00 0.00 27.48 27.96 1s76 h GLN 619 CO -0.20 0.80 -0.31 -1.49 -0.67 0.00 0.00 178.83 176.96 1s76 h TRP 620 N 1.24 0.36 -0.86 2.96 4.06 -0.83 -2.05 115.95 120.83 1s76 h TRP 620 Ca 0.35 -0.18 0.19 0.00 2.06 0.00 0.00 58.89 61.31 1s76 h TRP 620 Cb -0.11 -0.05 -0.06 0.00 -1.00 0.00 0.00 29.16 27.94 1s76 h TRP 620 CO -0.00 0.95 0.57 -0.07 -3.56 0.00 0.00 178.44 176.33 1s76 h LEU 621 N -0.34 0.40 -0.26 -4.49 3.38 -0.32 0.57 115.31 114.24 1s76 h LEU 621 Ca -0.03 0.04 -0.09 0.00 0.09 0.00 0.00 57.88 57.88 1s76 h LEU 621 Cb 1.02 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.72 1s76 h LEU 621 CO 0.06 0.17 -0.20 0.00 0.09 0.00 0.00 178.44 178.57 1s76 h ALA 622 N 1.62 0.38 0.00 1.53 0.00 -0.92 -2.62 119.26 119.25 1s76 h ALA 622 Ca 0.44 -0.36 -0.04 0.00 0.00 0.00 0.00 54.91 54.96 1s76 h ALA 622 Cb 1.08 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.78 1s76 h ALA 622 CO -0.16 0.32 -0.17 -0.92 0.00 0.00 0.00 179.25 178.32 1s76 h TYR 623 N 0.33 0.00 -3.47 0.00 3.20 0.28 -3.48 116.97 113.83 1s76 h TYR 623 Ca 0.05 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.92 1s76 h TYR 623 Cb 0.74 0.00 0.00 0.00 1.54 0.00 0.00 36.73 39.01 1s76 h TYR 623 CO 0.07 0.17 -0.15 0.41 -1.64 0.00 0.00 178.16 177.02 1s76 n GLY 624 N -0.87 -1.90 3.70 1.82 0.00 0.16 -4.96 105.19 103.15 1s76 n GLY 624 Ca -0.02 0.05 -0.42 0.00 0.00 0.00 0.00 46.02 45.63 1s76 n GLY 624 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1s76 s VAL 625 N -0.88 4.01 0.04 1.61 1.01 -1.24 -5.01 120.40 119.94 1s76 s VAL 625 Ca 0.03 1.40 0.01 0.00 0.00 0.00 0.00 61.98 63.42 1s76 s VAL 625 Cb -0.01 -3.90 -0.00 0.00 0.00 0.00 0.00 36.38 32.47 1s76 s VAL 625 CO 0.16 0.05 0.02 0.35 0.00 0.00 0.00 175.10 175.68 1s76 n THR 626 N 4.32 0.00 0.30 3.92 -2.24 -1.26 -4.96 114.28 114.36 1s76 n THR 626 Ca 0.11 -0.25 0.17 0.00 -2.27 0.00 0.00 64.05 61.80 1s76 n THR 626 Cb 0.46 0.10 0.97 0.00 -2.10 0.00 0.00 70.33 69.76 1s76 n THR 626 CO 0.00 0.00 0.00 0.08 -0.57 0.00 0.00 175.07 174.58 1s76 h ARG 627 N 0.00 0.00 -0.65 -0.78 0.11 -1.92 -2.29 114.38 108.85 1s76 h ARG 627 Ca -0.03 0.00 0.13 0.00 0.10 0.00 0.00 59.98 60.18 1s76 h ARG 627 Cb 0.13 0.00 -0.10 0.00 1.11 0.00 0.00 29.97 31.11 1s76 h ARG 627 CO 0.05 0.01 0.06 0.77 0.10 0.00 0.00 179.97 180.96 1s76 h SER 628 N 0.00 -0.17 -3.27 0.08 0.02 -1.95 -3.26 113.55 105.00 1s76 h SER 628 Ca -0.00 0.15 -0.45 0.00 -0.84 0.00 0.00 61.79 60.64 1s76 h SER 628 Cb 0.02 0.24 0.14 0.00 0.14 0.00 0.00 62.40 62.94 1s76 h SER 628 CO 0.00 -0.08 0.32 -0.69 -1.14 0.00 0.00 176.83 175.24 1s76 s VAL 629 N -6.12 2.02 0.00 2.27 1.01 -0.86 -4.11 120.40 114.61 1s76 s VAL 629 Ca -0.13 -0.21 0.00 0.00 0.00 0.00 0.00 61.98 61.63 1s76 s VAL 629 Cb 0.19 -2.81 0.00 0.00 0.00 0.00 0.00 36.38 33.76 1s76 s VAL 629 CO 0.74 0.00 0.00 0.35 0.00 0.00 0.00 175.10 176.19 1s76 n THR 630 N -3.48 0.00 0.17 3.92 -2.24 -1.26 -4.68 114.28 106.71 1s76 n THR 630 Ca 0.16 0.00 -0.17 0.00 -2.27 0.00 0.00 64.05 61.77 1s76 n THR 630 Cb 0.60 0.00 -0.09 0.00 -2.10 0.00 0.00 70.33 68.74 1s76 n THR 630 CO 0.00 0.00 0.00 0.07 -0.57 0.00 0.00 175.07 174.57 1s76 h LYS 631 N 0.00 -0.79 -0.77 -0.78 5.09 -1.71 0.28 116.57 117.89 1s76 h LYS 631 Ca 0.00 0.05 0.06 0.00 0.09 0.00 0.00 60.65 60.85 1s76 h LYS 631 Cb 0.00 0.18 -0.05 0.00 0.10 0.00 0.00 32.23 32.46 1s76 h LYS 631 CO 0.00 -0.52 0.50 -0.09 -2.09 0.00 0.00 179.45 177.25 1s76 h ARG 632 N -0.82 0.83 -0.02 0.07 2.43 -1.84 0.32 114.38 115.35 1s76 h ARG 632 Ca -0.02 -0.05 -0.04 0.00 -0.81 0.00 0.00 59.98 59.06 1s76 h ARG 632 Cb 0.78 -0.19 -0.01 0.00 -0.42 0.00 0.00 29.97 30.14 1s76 h ARG 632 CO -0.20 0.55 -0.19 0.77 -1.51 0.00 0.00 179.97 179.39 1s76 h SER 633 N 0.85 0.02 0.49 -3.80 0.02 -1.67 -2.61 113.55 106.86 1s76 h SER 633 Ca 0.32 -0.00 -0.23 0.00 -0.84 0.00 0.00 61.79 61.04 1s76 h SER 633 Cb 0.19 -0.01 -0.00 0.00 0.14 0.00 0.00 62.40 62.72 1s76 h SER 633 CO -0.11 0.22 -0.99 0.58 -1.14 0.00 0.00 176.83 175.39 1s76 h VAL 634 N 0.02 1.46 0.00 2.27 2.07 0.17 -3.21 116.25 119.03 1s76 h VAL 634 Ca 0.00 -2.66 0.00 0.00 0.82 0.00 0.00 66.70 64.86 1s76 h VAL 634 Cb 0.35 2.56 0.00 0.00 -1.52 0.00 0.00 31.29 32.68 1s76 h VAL 634 CO 0.03 0.78 -0.69 0.00 0.02 0.00 0.00 177.57 177.71 1s76 h MET 635 N 0.15 0.00 0.00 1.57 -0.00 -1.30 -3.36 114.93 111.99 1s76 h MET 635 Ca -0.08 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.62 1s76 h MET 635 Cb 1.65 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 33.25 1s76 h MET 635 CO 0.16 0.00 -1.04 0.25 -0.00 0.00 0.00 176.91 176.29 1s76 n THR 636 N -2.43 0.06 0.08 -0.10 -2.24 -1.00 -4.43 114.28 104.21 1s76 n THR 636 Ca 0.02 -0.14 -0.12 0.00 -2.27 0.00 0.00 64.05 61.55 1s76 n THR 636 Cb 0.49 0.50 -0.05 0.00 -2.10 0.00 0.00 70.33 69.17 1s76 n THR 636 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 1s76 h LEU 637 N 0.00 -0.59 0.00 3.22 5.85 -1.70 0.48 115.31 122.57 1s76 h LEU 637 Ca 0.00 0.08 0.00 0.00 0.84 0.00 0.00 57.88 58.80 1s76 h LEU 637 Cb 0.63 0.24 0.00 0.00 0.37 0.00 0.00 40.66 41.90 1s76 h LEU 637 CO 0.00 -0.28 0.00 0.00 -0.34 0.00 0.00 178.44 177.82 1s76 n ALA 638 N -2.55 1.49 0.97 1.25 0.00 -1.26 -1.38 120.51 119.02 1s76 n ALA 638 Ca -0.06 -0.04 0.11 0.00 0.00 0.00 0.00 53.44 53.46 1s76 n ALA 638 Cb 0.25 -1.15 0.00 0.00 0.00 0.00 0.00 19.45 18.55 1s76 n ALA 638 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1s76 n TYR 639 N -1.43 0.01 0.00 0.00 4.01 0.08 -4.69 117.16 115.14 1s76 n TYR 639 Ca 0.03 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.77 1s76 n TYR 639 Cb 0.10 -0.10 0.00 0.00 -0.31 0.00 0.00 39.34 39.02 1s76 n TYR 639 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1s76 n GLY 640 N 1.49 1.53 3.71 2.72 0.00 -0.48 -4.20 105.19 109.97 1s76 n GLY 640 Ca 0.04 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.64 1s76 n GLY 640 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1s76 s SER 641 N -1.65 6.42 0.56 1.61 0.15 -0.69 -4.99 113.70 115.11 1s76 s SER 641 Ca 0.00 2.81 0.08 0.00 0.70 0.00 0.00 55.95 59.53 1s76 s SER 641 Cb 0.00 -2.59 0.08 0.00 -1.71 0.00 0.00 66.02 61.80 1s76 s SER 641 CO 0.00 -0.97 0.63 0.29 1.20 0.00 0.00 173.24 174.40 1s76 n LYS 642 N 4.48 0.64 -0.19 5.44 4.76 -1.26 -4.44 118.16 127.58 1s76 n LYS 642 Ca 0.16 -3.24 0.09 0.00 -2.87 0.00 0.00 58.31 52.45 1s76 n LYS 642 Cb 0.36 0.01 0.38 0.00 -1.84 0.00 0.00 35.03 33.95 1s76 n LYS 642 CO 0.00 0.00 0.00 1.49 -1.37 0.00 0.00 177.40 177.52 1s76 h GLU 643 N 0.00 0.67 -0.02 1.97 4.81 -1.94 0.30 114.58 120.36 1s76 h GLU 643 Ca -0.30 -0.04 -0.08 0.00 -0.13 0.00 0.00 59.36 58.81 1s76 h GLU 643 Cb 1.25 -0.15 -0.01 0.00 0.63 0.00 0.00 28.75 30.47 1s76 h GLU 643 CO 0.45 0.44 -0.36 0.35 -0.73 0.00 0.00 179.01 179.16 1s76 h PHE 644 N 0.69 0.04 -0.58 0.92 3.57 -1.95 -2.39 116.94 117.24 1s76 h PHE 644 Ca 0.35 -0.01 -0.11 0.00 3.53 0.00 0.00 57.97 61.73 1s76 h PHE 644 Cb 0.44 -0.01 -0.02 0.00 2.79 0.00 0.00 35.95 39.15 1s76 h PHE 644 CO -0.00 0.39 -0.06 0.78 -2.23 0.00 0.00 178.31 177.19 1s76 h GLY 645 N 1.10 1.14 0.96 2.40 0.00 -0.81 -3.08 103.07 104.77 1s76 h GLY 645 Ca 0.00 -0.88 -0.00 0.00 0.00 0.00 0.00 47.33 46.45 1s76 h GLY 645 CO 0.05 0.81 0.11 0.74 0.00 0.00 0.00 176.54 178.24 1s76 h PHE 646 N 0.95 0.25 -0.64 5.60 0.05 -0.86 -1.08 116.94 121.21 1s76 h PHE 646 Ca 0.16 -0.00 0.12 0.00 3.82 0.00 0.00 57.97 62.07 1s76 h PHE 646 Cb 0.63 -0.08 -0.12 0.00 2.00 0.00 0.00 35.95 38.37 1s76 h PHE 646 CO 0.04 0.22 -0.22 -0.09 -0.18 0.00 0.00 178.31 178.08 1s76 h ARG 647 N 0.21 -0.05 0.47 1.51 2.43 -1.39 0.37 114.38 117.93 1s76 h ARG 647 Ca 0.07 0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 59.22 1s76 h ARG 647 Cb 0.05 0.01 0.00 0.00 -0.42 0.00 0.00 29.97 29.61 1s76 h ARG 647 CO -0.01 -0.04 -0.23 1.96 -1.51 0.00 0.00 179.97 180.15 1s76 h GLN 648 N -0.06 -0.61 0.02 0.20 1.08 -1.45 -1.39 115.11 112.91 1s76 h GLN 648 Ca 0.29 0.04 0.00 0.00 -1.45 0.00 0.00 58.65 57.54 1s76 h GLN 648 Cb 0.51 0.14 -0.01 0.00 -0.05 0.00 0.00 27.48 28.07 1s76 h GLN 648 CO -0.69 -0.37 -0.14 1.96 -0.95 0.00 0.00 178.83 178.64 1s76 h GLN 649 N -0.71 -0.19 -0.88 1.46 4.20 0.17 0.42 115.11 119.59 1s76 h GLN 649 Ca -0.06 0.01 0.16 0.00 0.06 0.00 0.00 58.65 58.82 1s76 h GLN 649 Cb 0.52 0.04 -0.07 0.00 0.30 0.00 0.00 27.48 28.28 1s76 h GLN 649 CO 0.11 -0.13 0.57 -0.24 -0.67 0.00 0.00 178.83 178.47 1s76 h VAL 650 N -0.20 0.78 -0.34 -0.54 3.04 -0.42 1.53 116.25 120.11 1s76 h VAL 650 Ca -0.00 -0.20 -0.07 0.00 -1.01 0.00 0.00 66.70 65.42 1s76 h VAL 650 Cb 0.20 0.15 -0.01 0.00 -2.01 0.00 0.00 31.29 29.63 1s76 h VAL 650 CO -0.08 0.11 -0.08 0.25 -1.01 0.00 0.00 177.57 176.76 1s76 h LEU 651 N 0.58 0.65 0.03 3.16 5.85 -0.75 -0.31 115.31 124.52 1s76 h LEU 651 Ca 0.45 -0.36 -0.27 0.00 0.84 0.00 0.00 57.88 58.54 1s76 h LEU 651 Cb 0.86 -0.18 -0.04 0.00 0.37 0.00 0.00 40.66 41.68 1s76 h LEU 651 CO -0.19 0.86 -1.47 -0.33 -0.34 0.00 0.00 178.44 176.97 1s76 h GLU 652 N 0.44 0.05 0.03 1.25 5.08 0.14 1.03 114.58 122.60 1s76 h GLU 652 Ca 0.09 -0.09 -0.28 0.00 -1.00 0.00 0.00 59.36 58.08 1s76 h GLU 652 Cb 0.57 0.03 -0.04 0.00 0.50 0.00 0.00 28.75 29.82 1s76 h GLU 652 CO 0.03 0.79 -1.50 -0.44 -1.00 0.00 0.00 179.01 176.89 1s76 h ASP 653 N 0.01 0.09 0.00 1.42 3.45 0.20 -3.38 116.42 118.22 1s76 h ASP 653 Ca -0.20 -0.15 -0.07 0.00 0.43 0.00 0.00 57.03 57.04 1s76 h ASP 653 Cb 1.94 -0.03 -0.01 0.00 -0.56 0.00 0.00 39.33 40.67 1s76 h ASP 653 CO 0.11 1.12 -0.89 0.41 -1.57 0.00 0.00 179.24 178.43 1s76 n THR 654 N -3.22 0.97 0.11 0.35 -1.04 -0.20 -4.69 114.28 106.56 1s76 n THR 654 Ca -0.13 0.11 -0.05 0.00 -2.04 0.00 0.00 64.05 61.95 1s76 n THR 654 Cb 1.02 -1.75 -0.02 0.00 -1.82 0.00 0.00 70.33 67.75 1s76 n THR 654 CO 0.00 0.00 0.00 0.40 -0.64 0.00 0.00 175.07 174.83 1s76 h ILE 655 N -0.35 0.00 -0.94 12.58 2.04 -1.21 -1.77 117.51 127.86 1s76 h ILE 655 Ca -0.11 -0.11 0.25 0.00 1.00 0.00 0.00 64.86 65.89 1s76 h ILE 655 Cb 0.74 0.00 -0.18 0.00 -0.74 0.00 0.00 36.82 36.64 1s76 h ILE 655 CO -0.07 0.00 -0.01 0.00 0.00 0.00 0.00 178.15 178.07 1s76 n GLN 656 N -3.11 -0.08 0.01 2.37 1.13 0.35 0.57 117.38 118.63 1s76 n GLN 656 Ca -0.04 1.42 -0.17 0.00 -1.94 0.00 0.00 57.00 56.28 1s76 n GLN 656 Cb 0.12 -2.24 -0.06 0.00 0.11 0.00 0.00 30.24 28.17 1s76 n GLN 656 CO 0.00 0.00 0.00 -1.00 -1.44 0.00 0.00 177.06 174.62 1s76 h PRO 657 N 0.00 0.67 0.00 -1.09 0.13 -1.73 -3.15 132.00 126.83 1s76 h PRO 657 Ca 0.56 -0.61 -0.01 0.00 -0.87 0.00 0.00 66.00 65.07 1s76 h PRO 657 Cb 1.13 0.15 -0.00 0.00 0.13 0.00 0.00 31.00 32.40 1s76 h PRO 657 CO -0.90 1.22 -0.05 0.00 -0.23 0.00 0.00 178.00 178.04 1s76 h ALA 658 N 0.59 1.01 -2.98 -0.56 0.00 0.44 -3.35 119.26 114.42 1s76 h ALA 658 Ca -0.07 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.79 1s76 h ALA 658 Cb 1.49 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.27 1s76 h ALA 658 CO 0.17 0.06 0.00 -0.89 0.00 0.00 0.00 179.25 178.59 1s76 n ILE 659 N -3.17 0.00 -1.54 0.00 2.08 0.19 -1.37 119.36 115.56 1s76 n ILE 659 Ca 0.00 0.57 -0.27 0.00 0.56 0.00 0.00 62.75 63.61 1s76 n ILE 659 Cb 0.33 -1.15 -0.09 0.00 -0.75 0.00 0.00 39.64 37.99 1s76 n ILE 659 CO 0.00 0.00 0.00 -0.90 0.56 0.00 0.00 176.55 176.21 1s76 n ASP 660 N -0.51 2.06 0.00 4.38 5.68 -1.23 -1.96 116.55 124.96 1s76 n ASP 660 Ca 0.00 -2.59 0.00 0.00 -0.50 0.00 0.00 54.79 51.70 1s76 n ASP 660 Cb 0.00 -1.48 0.00 0.00 -1.14 0.00 0.00 41.12 38.50 1s76 n ASP 660 CO 0.00 0.00 0.00 -1.54 -1.33 0.00 0.00 177.20 174.33 1s76 n SER 661 N 14.79 0.00 0.00 -1.12 3.41 -1.26 -4.98 113.62 124.46 1s76 n SER 661 Ca 0.44 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 59.05 1s76 n SER 661 Cb 0.45 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.40 1s76 n SER 661 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1s76 n GLY 662 N -0.03 2.81 0.05 5.00 0.00 -0.83 -4.85 105.19 107.33 1s76 n GLY 662 Ca 0.00 -0.26 0.04 0.00 0.00 0.00 0.00 46.02 45.80 1s76 n GLY 662 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1s76 n LYS 663 N 0.00 0.04 -3.12 1.61 4.01 -1.26 -3.62 118.16 115.83 1s76 n LYS 663 Ca 0.00 0.51 -0.18 0.00 -0.51 0.00 0.00 58.31 58.12 1s76 n LYS 663 Cb 0.00 -1.63 -0.05 0.00 -0.51 0.00 0.00 35.03 32.84 1s76 n LYS 663 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1s76 n GLY 664 N -1.26 1.36 2.58 0.72 0.00 -0.47 -4.99 105.19 103.14 1s76 n GLY 664 Ca 0.00 -0.75 -0.21 0.00 0.00 0.00 0.00 46.02 45.05 1s76 n GLY 664 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 1s76 n LEU 665 N 2.42 3.47 -1.05 0.99 -0.00 -1.24 -3.68 117.00 117.91 1s76 n LEU 665 Ca 0.23 -4.88 0.02 0.00 -0.00 0.00 0.00 56.01 51.38 1s76 n LEU 665 Cb 0.53 -0.14 0.01 0.00 -0.00 0.00 0.00 43.42 43.82 1s76 n LEU 665 CO 0.07 2.08 0.15 1.15 -0.00 0.00 0.00 177.39 180.85 1s76 n MET 666 N -0.26 0.00 0.00 1.47 0.00 -1.26 -4.84 117.12 112.23 1s76 n MET 666 Ca 0.29 -1.51 0.11 0.00 0.00 0.00 0.00 57.70 56.58 1s76 n MET 666 Cb 0.66 -0.19 -0.07 0.00 0.00 0.00 0.00 33.22 33.62 1s76 n MET 666 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 175.97 177.16 1s76 n PHE 667 N 0.27 0.05 -3.30 3.17 3.72 -1.26 -4.83 117.46 115.27 1s76 n PHE 667 Ca 0.02 0.01 -0.21 0.00 -0.05 0.00 0.00 57.45 57.23 1s76 n PHE 667 Cb 0.94 -0.19 0.02 0.00 -0.94 0.00 0.00 39.48 39.31 1s76 n PHE 667 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 176.76 176.96 1s76 n THR 668 N -1.71 -2.90 -1.26 4.37 -2.24 -1.26 -4.48 114.28 104.80 1s76 n THR 668 Ca 0.02 0.27 0.00 0.00 -2.27 0.00 0.00 64.05 62.07 1s76 n THR 668 Cb 0.39 -3.19 0.00 0.00 -2.10 0.00 0.00 70.33 65.44 1s76 n THR 668 CO 0.00 0.00 0.00 1.67 -0.57 0.00 0.00 175.07 176.17 1s76 n GLN 669 N 0.51 -2.11 -0.21 -0.78 7.27 -1.26 -4.88 117.38 115.91 1s76 n GLN 669 Ca -0.05 1.81 -0.07 0.00 0.07 0.00 0.00 57.00 58.77 1s76 n GLN 669 Cb 0.59 -1.82 0.03 0.00 2.41 0.00 0.00 30.24 31.44 1s76 n GLN 669 CO 0.00 0.00 0.00 -1.00 0.07 0.00 0.00 177.06 176.13 1s76 h PRO 670 N 1.66 0.85 -6.93 3.69 0.13 -1.99 -3.38 132.00 126.03 1s76 h PRO 670 Ca 0.00 -0.11 -0.54 0.00 -0.87 0.00 0.00 66.00 64.48 1s76 h PRO 670 Cb 0.00 -0.16 0.19 0.00 0.13 0.00 0.00 31.00 31.16 1s76 h PRO 670 CO 0.00 0.67 -0.12 0.09 -0.23 0.00 0.00 178.00 178.41 1s76 n ASN 671 N -4.55 -0.44 0.00 1.44 3.02 -1.26 -0.07 115.26 113.40 1s76 n ASN 671 Ca 0.04 0.52 0.00 0.00 -0.03 0.00 0.00 54.58 55.11 1s76 n ASN 671 Cb 0.10 -1.34 0.00 0.00 -0.61 0.00 0.00 39.78 37.93 1s76 n ASN 671 CO 0.00 0.00 0.00 1.67 -2.62 0.00 0.00 177.26 176.31 1s76 n GLN 672 N -2.10 0.00 0.17 3.52 7.27 -1.26 -4.21 117.38 120.76 1s76 n GLN 672 Ca 0.11 0.00 0.05 0.00 0.07 0.00 0.00 57.00 57.23 1s76 n GLN 672 Cb 0.51 -0.21 0.18 0.00 2.41 0.00 0.00 30.24 33.14 1s76 n GLN 672 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1s76 h ALA 673 N 0.00 0.82 0.05 1.69 0.00 -1.41 0.28 119.26 120.69 1s76 h ALA 673 Ca 0.00 -0.35 -0.38 0.00 0.00 0.00 0.00 54.91 54.18 1s76 h ALA 673 Cb 0.00 -0.06 -0.05 0.00 0.00 0.00 0.00 17.79 17.68 1s76 h ALA 673 CO 0.00 0.49 -2.27 0.00 0.00 0.00 0.00 179.25 177.46 1s76 n ALA 674 N -2.23 1.22 -0.30 0.00 0.00 0.90 -3.56 120.51 116.55 1s76 n ALA 674 Ca 0.01 -0.90 0.00 0.00 0.00 0.00 0.00 53.44 52.55 1s76 n ALA 674 Cb 0.62 -0.35 0.19 0.00 0.00 0.00 0.00 19.45 19.91 1s76 n ALA 674 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 1s76 h GLY 675 N 1.73 1.25 0.82 0.00 0.00 -1.77 0.18 103.07 105.29 1s76 h GLY 675 Ca -0.51 -0.45 -0.03 0.00 0.00 0.00 0.00 47.33 46.33 1s76 h GLY 675 CO -0.01 0.43 -0.48 -1.82 0.00 0.00 0.00 176.54 174.66 1s76 h TYR 676 N 1.17 -1.27 -0.74 5.60 3.20 -0.58 -2.43 116.97 121.91 1s76 h TYR 676 Ca 0.33 -0.01 0.12 0.00 3.14 0.00 0.00 58.73 62.31 1s76 h TYR 676 Cb -0.08 0.45 -0.08 0.00 1.54 0.00 0.00 36.73 38.56 1s76 h TYR 676 CO -0.00 -0.72 0.34 1.98 -1.64 0.00 0.00 178.16 178.12 1s76 h MET 677 N -1.18 0.52 -1.03 1.82 4.05 -1.53 -1.22 114.93 116.36 1s76 h MET 677 Ca -0.10 -0.03 0.26 0.00 -0.28 0.00 0.00 59.70 59.55 1s76 h MET 677 Cb 0.95 -0.12 -0.12 0.00 -0.80 0.00 0.00 31.60 31.51 1s76 h MET 677 CO 0.11 0.34 0.63 0.00 0.23 0.00 0.00 176.91 178.22 1s76 h ALA 678 N 1.49 1.98 0.00 0.39 0.00 -0.19 -0.20 119.26 122.73 1s76 h ALA 678 Ca 0.38 0.11 -0.20 0.00 0.00 0.00 0.00 54.91 55.20 1s76 h ALA 678 Cb 0.50 0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.29 1s76 h ALA 678 CO -0.33 -0.44 -0.96 -0.22 0.00 0.00 0.00 179.25 177.30 1s76 h LYS 679 N 0.49 0.00 -0.12 0.00 3.64 -0.80 -2.44 116.57 117.34 1s76 h LYS 679 Ca 0.64 0.00 -0.13 0.00 -1.27 0.00 0.00 60.65 59.89 1s76 h LYS 679 Cb 1.39 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.21 1s76 h LYS 679 CO -0.42 0.96 -0.43 -0.07 -2.27 0.00 0.00 179.45 177.22 1s76 h LEU 680 N 0.00 0.59 -0.81 5.20 3.38 -1.02 -1.09 115.31 121.56 1s76 h LEU 680 Ca -0.01 -0.61 0.03 0.00 0.09 0.00 0.00 57.88 57.38 1s76 h LEU 680 Cb 1.72 -0.17 -0.05 0.00 0.09 0.00 0.00 40.66 42.25 1s76 h LEU 680 CO 0.12 1.10 0.52 0.40 0.09 0.00 0.00 178.44 180.67 1s76 h ILE 681 N 0.11 1.12 0.89 1.22 2.04 -1.16 0.31 117.51 122.04 1s76 h ILE 681 Ca -0.02 -0.34 -0.04 0.00 1.00 0.00 0.00 64.86 65.45 1s76 h ILE 681 Cb 1.06 0.03 0.01 0.00 -0.74 0.00 0.00 36.82 37.17 1s76 h ILE 681 CO 0.09 0.18 -0.43 -0.25 0.00 0.00 0.00 178.15 177.75 1s76 h TRP 682 N 1.00 -1.10 -0.30 1.37 2.91 -1.35 0.35 115.95 118.83 1s76 h TRP 682 Ca 0.33 -0.03 0.06 0.00 1.13 0.00 0.00 58.89 60.39 1s76 h TRP 682 Cb 0.02 0.37 -0.08 0.00 -0.51 0.00 0.00 29.16 28.96 1s76 h TRP 682 CO -0.03 -0.69 -0.36 0.93 -1.03 0.00 0.00 178.44 177.26 1s76 h GLU 683 N -1.31 -0.33 -0.61 2.65 3.07 -0.96 0.84 114.58 117.94 1s76 h GLU 683 Ca -0.12 0.02 0.02 0.00 -0.50 0.00 0.00 59.36 58.78 1s76 h GLU 683 Cb 0.91 0.07 -0.04 0.00 -0.84 0.00 0.00 28.75 28.86 1s76 h GLU 683 CO 0.20 -0.22 0.38 0.77 -1.40 0.00 0.00 179.01 178.74 1s76 h SER 684 N -0.34 0.63 0.08 1.42 0.02 -0.37 -2.69 113.55 112.29 1s76 h SER 684 Ca 0.13 -0.00 -0.28 0.00 -0.84 0.00 0.00 61.79 60.80 1s76 h SER 684 Cb 0.57 -0.14 0.03 0.00 0.14 0.00 0.00 62.40 63.00 1s76 h SER 684 CO -0.49 0.44 -1.16 1.62 -1.14 0.00 0.00 176.83 176.11 1s76 h VAL 685 N 0.75 1.29 -0.71 2.27 3.04 0.32 -3.26 116.25 119.94 1s76 h VAL 685 Ca 0.24 -2.38 0.06 0.00 -1.01 0.00 0.00 66.70 63.62 1s76 h VAL 685 Cb 0.00 2.60 -0.04 0.00 -2.01 0.00 0.00 31.29 31.84 1s76 h VAL 685 CO -0.09 0.73 0.47 0.77 -1.01 0.00 0.00 177.57 178.43 1s76 h SER 686 N 0.29 0.66 -0.23 3.17 4.64 0.73 0.10 113.55 122.92 1s76 h SER 686 Ca -0.17 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.16 1s76 h SER 686 Cb 1.83 -0.14 0.00 0.00 -0.31 0.00 0.00 62.40 63.78 1s76 h SER 686 CO 0.22 0.43 0.00 1.33 -0.87 0.00 0.00 176.83 177.94 1s76 n VAL 687 N -4.48 0.54 0.01 0.95 0.24 -1.02 -4.03 118.33 110.53 1s76 n VAL 687 Ca 0.10 -0.38 0.00 0.00 -2.04 0.00 0.00 64.34 62.03 1s76 n VAL 687 Cb 0.22 -0.05 0.00 0.00 -1.47 0.00 0.00 33.84 32.55 1s76 n VAL 687 CO 0.00 0.00 0.00 0.41 -2.14 0.00 0.00 176.83 175.10 1s76 n THR 688 N 0.21 0.13 -3.16 3.34 -1.04 0.14 -4.95 114.28 108.94 1s76 n THR 688 Ca 0.09 0.04 -0.44 0.00 -2.04 0.00 0.00 64.05 61.70 1s76 n THR 688 Cb 0.33 -1.44 -0.06 0.00 -1.82 0.00 0.00 70.33 67.34 1s76 n THR 688 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 1s76 s VAL 689 N -2.00 4.88 0.00 12.58 1.01 0.08 -4.79 120.40 132.16 1s76 s VAL 689 Ca 0.00 -0.45 0.00 0.00 0.00 0.00 0.00 61.98 61.53 1s76 s VAL 689 Cb 0.00 -4.28 0.00 0.00 0.00 0.00 0.00 36.38 32.10 1s76 s VAL 689 CO 0.00 -0.77 0.00 0.52 0.00 0.00 0.00 175.10 174.85 1s76 n VAL 690 N 5.62 0.00 -0.29 2.92 0.31 -1.26 -4.51 118.33 121.12 1s76 n VAL 690 Ca -0.06 0.08 0.12 0.00 -0.01 0.00 0.00 64.34 64.46 1s76 n VAL 690 Cb 0.46 -0.92 0.27 0.00 -0.91 0.00 0.00 33.84 32.73 1s76 n VAL 690 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1s76 h ALA 691 N -0.58 1.19 -0.11 3.52 0.00 -1.98 0.10 119.26 121.41 1s76 h ALA 691 Ca 0.00 0.23 0.02 0.00 0.00 0.00 0.00 54.91 55.16 1s76 h ALA 691 Cb 0.00 0.35 -0.03 0.00 0.00 0.00 0.00 17.79 18.10 1s76 h ALA 691 CO 0.00 -0.46 -0.26 0.00 0.00 0.00 0.00 179.25 178.52 1s76 h ALA 692 N 1.78 -0.61 -0.67 0.00 0.00 -1.90 0.54 119.26 118.39 1s76 h ALA 692 Ca 0.53 -0.02 0.14 0.00 0.00 0.00 0.00 54.91 55.57 1s76 h ALA 692 Cb 1.05 0.83 -0.12 0.00 0.00 0.00 0.00 17.79 19.55 1s76 h ALA 692 CO -0.67 -0.72 -0.00 0.28 0.00 0.00 0.00 179.25 178.14 1s76 h VAL 693 N -0.25 0.43 -0.68 0.00 2.07 -1.28 0.43 116.25 116.97 1s76 h VAL 693 Ca 0.02 -0.04 0.08 0.00 0.82 0.00 0.00 66.70 67.58 1s76 h VAL 693 Cb 0.31 0.31 -0.06 0.00 -1.52 0.00 0.00 31.29 30.33 1s76 h VAL 693 CO -0.24 0.02 0.35 -0.08 0.02 0.00 0.00 177.57 177.64 1s76 h GLU 694 N 0.11 0.60 -0.09 1.57 4.81 0.30 0.21 114.58 122.09 1s76 h GLU 694 Ca 0.36 -0.04 -0.09 0.00 -0.13 0.00 0.00 59.36 59.46 1s76 h GLU 694 Cb 0.60 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 29.83 1s76 h GLU 694 CO -0.59 0.40 -0.36 0.00 -0.73 0.00 0.00 179.01 177.73 1s76 h ALA 695 N 1.39 1.23 0.11 2.92 0.00 0.31 -2.16 119.26 123.05 1s76 h ALA 695 Ca 0.32 -0.37 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 1s76 h ALA 695 Cb 0.29 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.00 1s76 h ALA 695 CO -0.24 0.53 -0.05 1.98 0.00 0.00 0.00 179.25 181.47 1s76 h MET 696 N 0.16 -0.14 0.00 0.00 1.85 0.16 -2.42 114.93 114.55 1s76 h MET 696 Ca 0.02 0.01 -0.01 0.00 -0.61 0.00 0.00 59.70 59.10 1s76 h MET 696 Cb 0.72 0.03 -0.00 0.00 0.43 0.00 0.00 31.60 32.78 1s76 h MET 696 CO 0.05 0.14 -0.06 -0.91 -0.40 0.00 0.00 176.91 175.73 1s76 h ASN 697 N -0.41 0.00 0.17 1.39 -0.26 -0.55 -0.52 115.58 115.41 1s76 h ASN 697 Ca -0.01 0.00 -0.18 0.00 -0.56 0.00 0.00 56.30 55.54 1s76 h ASN 697 Cb 0.34 0.00 -0.00 0.00 -1.06 0.00 0.00 38.32 37.60 1s76 h ASN 697 CO 0.02 0.06 -0.69 -0.25 -1.06 0.00 0.00 177.43 175.51 1s76 h TRP 698 N 0.00 0.63 -0.03 1.19 7.01 -1.16 -1.91 115.95 121.68 1s76 h TRP 698 Ca -0.00 -0.26 -0.21 0.00 2.11 0.00 0.00 58.89 60.53 1s76 h TRP 698 Cb 0.18 -0.10 -0.00 0.00 -2.10 0.00 0.00 29.16 27.14 1s76 h TRP 698 CO 0.00 1.02 -0.86 -0.07 -2.79 0.00 0.00 178.44 175.74 1s76 h LEU 699 N 0.33 0.49 -0.80 0.65 3.38 -0.71 -3.02 115.31 115.63 1s76 h LEU 699 Ca -0.02 -0.37 -0.08 0.00 0.09 0.00 0.00 57.88 57.49 1s76 h LEU 699 Cb 1.27 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 41.84 1s76 h LEU 699 CO 0.12 1.15 0.00 0.11 0.09 0.00 0.00 178.44 179.92 1s76 h LYS 700 N 0.24 0.90 -0.62 1.13 1.57 -1.04 -1.68 116.57 117.07 1s76 h LYS 700 Ca -0.06 -0.26 -0.04 0.00 -1.87 0.00 0.00 60.65 58.42 1s76 h LYS 700 Cb 1.47 -0.10 -0.03 0.00 0.08 0.00 0.00 32.23 33.66 1s76 h LYS 700 CO 0.15 0.90 0.22 0.77 -0.57 0.00 0.00 179.45 180.92 1s76 h SER 701 N 0.84 0.87 -0.63 0.86 0.02 -1.34 0.58 113.55 114.76 1s76 h SER 701 Ca 0.16 -0.19 -0.07 0.00 -0.84 0.00 0.00 61.79 60.85 1s76 h SER 701 Cb 0.49 -0.23 -0.02 0.00 0.14 0.00 0.00 62.40 62.78 1s76 h SER 701 CO 0.02 0.83 0.11 0.00 -1.14 0.00 0.00 176.83 176.65 1s76 h ALA 702 N 1.08 0.83 -0.15 3.77 0.00 -1.38 0.19 119.26 123.60 1s76 h ALA 702 Ca 0.20 -0.26 -0.04 0.00 0.00 0.00 0.00 54.91 54.82 1s76 h ALA 702 Cb 0.24 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 17.79 1s76 h ALA 702 CO -0.01 0.58 -0.05 0.00 0.00 0.00 0.00 179.25 179.77 1s76 h ALA 703 N 1.03 0.21 0.28 0.00 0.00 -0.97 -1.38 119.26 118.44 1s76 h ALA 703 Ca 0.19 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1s76 h ALA 703 Cb 0.42 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.13 1s76 h ALA 703 CO 0.01 -0.01 -0.32 -0.22 0.00 0.00 0.00 179.25 178.71 1s76 h LYS 704 N -0.01 -0.62 -0.20 0.00 3.64 0.33 0.20 116.57 119.91 1s76 h LYS 704 Ca 0.04 0.04 0.04 0.00 -1.27 0.00 0.00 60.65 59.50 1s76 h LYS 704 Cb 0.50 0.14 -0.04 0.00 -0.41 0.00 0.00 32.23 32.42 1s76 h LYS 704 CO 0.02 -0.41 -0.07 -0.07 -2.27 0.00 0.00 179.45 176.65 1s76 h LEU 705 N -0.64 -0.24 -0.95 5.20 3.38 -0.62 0.25 115.31 121.69 1s76 h LEU 705 Ca -0.01 0.07 -0.09 0.00 0.09 0.00 0.00 57.88 57.94 1s76 h LEU 705 Cb 0.60 0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.48 1s76 h LEU 705 CO -0.09 -0.09 -0.22 -0.07 0.09 0.00 0.00 178.44 178.06 1s76 h LEU 706 N -0.03 0.50 -0.65 1.67 3.38 -1.13 -2.68 115.31 116.38 1s76 h LEU 706 Ca 0.10 -0.16 -0.14 0.00 0.09 0.00 0.00 57.88 57.77 1s76 h LEU 706 Cb 0.19 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.79 1s76 h LEU 706 CO -0.23 0.73 -0.49 0.00 0.09 0.00 0.00 178.44 178.55 1s76 h ALA 707 N 1.31 0.83 -2.19 1.53 0.00 -0.28 -1.53 119.26 118.94 1s76 h ALA 707 Ca 0.07 -0.48 -0.54 0.00 0.00 0.00 0.00 54.91 53.97 1s76 h ALA 707 Cb 0.64 -0.09 0.21 0.00 0.00 0.00 0.00 17.79 18.55 1s76 h ALA 707 CO 0.05 0.67 -0.70 0.00 0.00 0.00 0.00 179.25 179.26 1s76 n ALA 708 N -2.50 -2.79 -3.82 0.00 0.00 0.05 -4.29 120.51 107.16 1s76 n ALA 708 Ca -0.02 -0.56 -0.30 0.00 0.00 0.00 0.00 53.44 52.55 1s76 n ALA 708 Cb 0.56 -1.73 -0.14 0.00 0.00 0.00 0.00 19.45 18.14 1s76 n ALA 708 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 1s76 s GLU 709 N -3.31 1.32 0.10 0.00 2.12 -1.26 -3.61 118.70 114.06 1s76 s GLU 709 Ca 0.56 -1.88 -0.30 0.00 0.36 0.00 0.00 54.97 53.70 1s76 s GLU 709 Cb -0.23 -2.60 -0.06 0.00 0.26 0.00 0.00 34.13 31.50 1s76 s GLU 709 CO 0.68 -1.07 1.03 0.14 -0.54 0.00 0.00 175.26 175.50 1s76 s VAL 710 N 0.62 4.35 0.07 3.70 -7.23 -1.11 -4.98 120.40 115.83 1s76 s VAL 710 Ca 0.14 1.88 0.08 0.00 -1.81 0.00 0.00 61.98 62.27 1s76 s VAL 710 Cb -0.22 -4.20 -0.03 0.00 0.56 0.00 0.00 36.38 32.49 1s76 s VAL 710 CO -0.07 0.25 -0.21 -0.54 -0.31 0.00 0.00 175.10 174.23 1s76 s LYS 711 N 0.23 1.23 0.32 4.82 1.02 -1.26 -0.86 119.74 125.23 1s76 s LYS 711 Ca 0.50 -1.05 -0.29 0.00 0.02 0.00 0.00 55.97 55.14 1s76 s LYS 711 Cb -0.25 -1.42 -0.12 0.00 -0.52 0.00 0.00 37.83 35.52 1s76 s LYS 711 CO 0.31 0.35 1.46 -3.47 -0.92 0.00 0.00 175.35 173.07 1s76 n ASP 712 N 1.44 3.40 -0.34 2.83 -0.08 -0.76 -4.76 116.55 118.29 1s76 n ASP 712 Ca -0.18 1.18 -0.04 0.00 -1.51 0.00 0.00 54.79 54.24 1s76 n ASP 712 Cb 0.53 -1.55 0.09 0.00 2.34 0.00 0.00 41.12 42.54 1s76 n ASP 712 CO 0.00 0.00 0.00 0.11 0.12 0.00 0.00 177.20 177.43 1s76 h LYS 713 N 3.66 1.26 0.00 -0.67 1.79 -1.95 0.86 116.57 121.52 1s76 h LYS 713 Ca -0.47 -0.14 -0.13 0.00 -2.18 0.00 0.00 60.65 57.73 1s76 h LYS 713 Cb 1.25 -0.25 -0.02 0.00 -1.58 0.00 0.00 32.23 31.63 1s76 h LYS 713 CO 0.71 0.91 -1.20 0.87 -1.08 0.00 0.00 179.45 179.66 1s76 h LYS 714 N 1.27 0.00 -0.06 3.15 1.79 -2.01 -3.40 116.57 117.31 1s76 h LYS 714 Ca 0.32 0.00 -0.17 0.00 -2.18 0.00 0.00 60.65 58.62 1s76 h LYS 714 Cb 0.00 0.00 -0.27 0.00 -1.58 0.00 0.00 32.23 30.38 1s76 h LYS 714 CO -0.05 0.27 -0.70 -2.37 -1.08 0.00 0.00 179.45 175.52 1s76 n THR 715 N -2.91 0.18 -0.51 -0.16 5.66 -1.22 -5.07 114.28 110.25 1s76 n THR 715 Ca -0.06 -0.92 0.00 0.00 -3.05 0.00 0.00 64.05 60.02 1s76 n THR 715 Cb 0.77 0.87 0.00 0.00 -1.55 0.00 0.00 70.33 70.42 1s76 n THR 715 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1s76 n GLY 716 N -0.08 0.00 3.87 1.09 0.00 0.30 -4.74 105.19 105.63 1s76 n GLY 716 Ca -0.09 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.62 1s76 n GLY 716 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1s76 s GLU 717 N -0.56 3.51 -0.16 1.61 -1.05 -1.26 -4.37 118.70 116.42 1s76 s GLU 717 Ca 0.00 0.76 -0.29 0.00 -0.15 0.00 0.00 54.97 55.29 1s76 s GLU 717 Cb 0.00 -2.07 -0.04 0.00 -0.44 0.00 0.00 34.13 31.58 1s76 s GLU 717 CO 0.00 -0.64 1.63 0.42 0.95 0.00 0.00 175.26 177.62 1s76 s ILE 718 N -3.17 3.67 0.00 1.83 1.01 -1.26 -1.82 121.20 121.46 1s76 s ILE 718 Ca 0.55 0.78 0.01 0.00 0.00 0.00 0.00 60.65 61.99 1s76 s ILE 718 Cb -0.11 -3.61 -0.26 0.00 0.01 0.00 0.00 42.46 38.49 1s76 s ILE 718 CO 0.54 -0.19 0.84 -0.07 0.00 0.00 0.00 174.94 176.06 1s76 h LEU 719 N 11.16 0.26 -7.52 2.97 3.38 -1.34 -3.46 115.31 120.77 1s76 h LEU 719 Ca -0.35 -0.38 -0.25 0.00 0.09 0.00 0.00 57.88 56.98 1s76 h LEU 719 Cb 1.16 -0.08 -0.31 0.00 0.09 0.00 0.00 40.66 41.51 1s76 h LEU 719 CO 0.98 1.32 -0.65 -0.60 0.09 0.00 0.00 178.44 179.58 1s76 s ARG 720 N -2.62 0.05 0.24 1.13 3.00 -1.10 -5.01 118.95 114.63 1s76 s ARG 720 Ca -0.08 0.24 -0.09 0.00 -1.00 0.00 0.00 55.73 54.80 1s76 s ARG 720 Cb 0.07 -0.15 -0.07 0.00 0.00 0.00 0.00 34.95 34.81 1s76 s ARG 720 CO 0.84 -0.13 0.56 0.21 0.00 0.00 0.00 175.30 176.78 1s76 s LYS 721 N 0.85 3.79 0.65 5.12 2.47 -1.26 -2.76 119.74 128.59 1s76 s LYS 721 Ca -0.07 0.26 -0.17 0.00 -1.56 0.00 0.00 55.97 54.43 1s76 s LYS 721 Cb -0.09 -2.64 -0.07 0.00 -1.46 0.00 0.00 37.83 33.57 1s76 s LYS 721 CO -0.03 0.30 0.41 0.54 0.16 0.00 0.00 175.35 176.72 1s76 n ARG 722 N -0.24 0.34 -3.57 4.03 1.74 -1.24 -4.89 116.66 112.84 1s76 n ARG 722 Ca 0.00 0.15 -0.15 0.00 -0.77 0.00 0.00 57.85 57.08 1s76 n ARG 722 Cb 0.53 -1.66 -0.06 0.00 -1.02 0.00 0.00 32.46 30.24 1s76 n ARG 722 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1s76 n ALA 724 N 1.57 0.17 -2.69 0.00 0.00 -1.26 -3.89 120.51 114.41 1s76 n ALA 724 Ca -0.16 -0.28 -0.37 0.00 0.00 0.00 0.00 53.44 52.63 1s76 n ALA 724 Cb 0.56 -2.26 -0.06 0.00 0.00 0.00 0.00 19.45 17.69 1s76 n ALA 724 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 1s76 s VAL 725 N -2.01 5.22 0.01 0.00 -7.23 -0.55 -4.96 120.40 110.88 1s76 s VAL 725 Ca 0.75 0.77 0.07 0.00 -1.81 0.00 0.00 61.98 61.76 1s76 s VAL 725 Cb -0.31 -3.72 -0.02 0.00 0.56 0.00 0.00 36.38 32.89 1s76 s VAL 725 CO 0.49 0.39 -0.20 -2.28 -0.31 0.00 0.00 175.10 173.19 1s76 s HIS 726 N 0.29 1.79 0.04 2.82 2.46 -1.26 -1.70 115.29 119.73 1s76 s HIS 726 Ca 0.22 -0.36 -0.26 0.00 0.47 0.00 0.00 55.06 55.13 1s76 s HIS 726 Cb -0.14 -1.11 0.06 0.00 -0.13 0.00 0.00 32.58 31.26 1s76 s HIS 726 CO 0.08 0.03 0.61 1.67 -2.47 0.00 0.00 174.74 174.66 1s76 s TRP 727 N -0.64 -0.55 -0.13 3.88 -2.14 -1.01 -4.76 118.94 113.59 1s76 s TRP 727 Ca 0.07 0.69 -0.00 0.00 2.66 0.00 0.00 56.10 59.52 1s76 s TRP 727 Cb -0.08 0.44 -0.01 0.00 -3.10 0.00 0.00 33.47 30.71 1s76 s TRP 727 CO 0.01 -0.69 -0.13 0.08 -2.66 0.00 0.00 176.95 173.55 1s76 s VAL 728 N -2.35 3.05 0.60 -0.66 1.01 -1.26 -0.22 120.40 120.56 1s76 s VAL 728 Ca -0.06 -0.66 -0.16 0.00 0.00 0.00 0.00 61.98 61.10 1s76 s VAL 728 Cb -0.01 -2.28 -0.03 0.00 0.00 0.00 0.00 36.38 34.06 1s76 s VAL 728 CO -0.01 0.52 1.06 0.42 0.00 0.00 0.00 175.10 177.10 1s76 s THR 729 N 0.37 3.75 0.42 3.92 -4.23 0.11 -4.88 115.64 115.10 1s76 s THR 729 Ca -0.11 0.83 0.23 0.00 -1.18 0.00 0.00 61.69 61.47 1s76 s THR 729 Cb -0.16 -3.36 0.43 0.00 1.34 0.00 0.00 72.50 70.76 1s76 s THR 729 CO 0.05 -0.48 1.72 -0.65 -0.54 0.00 0.00 174.62 174.72 1s76 h PRO 730 N 0.43 0.26 -0.12 3.99 0.11 -1.89 0.32 132.00 135.09 1s76 h PRO 730 Ca -0.47 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.63 1s76 h PRO 730 Cb 1.22 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.27 1s76 h PRO 730 CO 0.57 0.17 0.00 -0.40 -0.21 0.00 0.00 178.00 178.13 1s76 n ASP 731 N -4.63 0.74 0.00 -2.05 5.75 -1.26 -4.85 116.55 110.26 1s76 n ASP 731 Ca 0.29 -1.88 0.00 0.00 -0.01 0.00 0.00 54.79 53.19 1s76 n ASP 731 Cb 1.09 -0.08 0.00 0.00 -1.03 0.00 0.00 41.12 41.10 1s76 n ASP 731 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1s76 n GLY 732 N 0.78 0.88 3.53 6.12 0.00 0.09 -4.13 105.19 112.46 1s76 n GLY 732 Ca 0.07 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.67 1s76 n GLY 732 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1s76 s PHE 733 N -2.00 3.07 0.11 1.61 5.36 -1.19 -4.67 117.98 120.27 1s76 s PHE 733 Ca 0.00 0.03 -0.30 0.00 -0.96 0.00 0.00 56.93 55.69 1s76 s PHE 733 Cb 0.00 -3.37 -0.07 0.00 -0.34 0.00 0.00 43.02 39.25 1s76 s PHE 733 CO 0.00 -0.86 1.17 -1.25 -1.46 0.00 0.00 175.22 172.82 1s76 s PRO 734 N 2.87 4.49 -0.02 10.12 0.04 -1.26 0.08 135.00 151.32 1s76 s PRO 734 Ca 0.24 1.77 0.07 0.00 0.04 0.00 0.00 61.00 63.12 1s76 s PRO 734 Cb -0.14 -3.31 -0.02 0.00 0.04 0.00 0.00 34.50 31.07 1s76 s PRO 734 CO 0.19 -0.13 -0.24 0.08 0.04 0.00 0.00 177.00 176.94 1s76 s VAL 735 N 0.51 2.22 -0.27 -0.36 1.01 0.69 -4.96 120.40 119.24 1s76 s VAL 735 Ca 0.55 -1.06 0.00 0.00 0.00 0.00 0.00 61.98 61.47 1s76 s VAL 735 Cb -0.30 -1.79 0.08 0.00 0.00 0.00 0.00 36.38 34.37 1s76 s VAL 735 CO 0.32 0.57 0.03 0.26 0.00 0.00 0.00 175.10 176.28 1s76 s TRP 736 N -0.64 2.21 -0.44 5.22 0.51 -1.26 -2.41 118.94 122.12 1s76 s TRP 736 Ca 0.10 -1.84 -0.15 0.00 -2.12 0.00 0.00 56.10 52.09 1s76 s TRP 736 Cb -0.10 -1.78 0.05 0.00 -0.81 0.00 0.00 33.47 30.83 1s76 s TRP 736 CO -0.01 -0.82 0.34 -1.14 -0.51 0.00 0.00 176.95 174.82 1s76 s GLN 737 N 1.45 2.94 -0.41 4.98 0.74 -0.69 -4.96 119.66 123.71 1s76 s GLN 737 Ca 0.03 -1.22 0.04 0.00 0.05 0.00 0.00 55.36 54.25 1s76 s GLN 737 Cb -0.18 -4.03 0.17 0.00 1.10 0.00 0.00 33.01 30.06 1s76 s GLN 737 CO -0.13 -0.90 0.37 -1.83 -0.55 0.00 0.00 175.29 172.24 1s76 s GLU 738 N 1.64 0.85 0.77 1.67 -1.05 -1.26 -1.48 118.70 119.83 1s76 s GLU 738 Ca 0.04 -1.75 -0.11 0.00 -0.15 0.00 0.00 54.97 53.00 1s76 s GLU 738 Cb -0.22 -1.16 0.06 0.00 -0.44 0.00 0.00 34.13 32.37 1s76 s GLU 738 CO 0.08 -1.34 1.10 0.71 0.95 0.00 0.00 175.26 176.76 1s76 s TYR 739 N 0.44 2.48 0.00 4.83 2.02 -1.26 -4.92 117.35 120.93 1s76 s TYR 739 Ca 0.29 1.58 0.02 0.00 -0.37 0.00 0.00 57.07 58.59 1s76 s TYR 739 Cb -0.02 -3.10 -0.01 0.00 -0.40 0.00 0.00 41.96 38.43 1s76 s TYR 739 CO -0.13 -1.90 -0.06 0.15 -1.57 0.00 0.00 175.55 172.03 1s76 s LYS 740 N -4.77 0.49 0.04 -0.62 -0.14 -1.26 -1.37 119.74 112.10 1s76 s LYS 740 Ca 0.63 -0.30 -0.30 0.00 -1.36 0.00 0.00 55.97 54.63 1s76 s LYS 740 Cb -0.18 -0.44 -0.05 0.00 -1.68 0.00 0.00 37.83 35.48 1s76 s LYS 740 CO 0.54 0.12 1.11 0.15 -0.76 0.00 0.00 175.35 176.51 1s76 s LYS 741 N -0.37 4.48 -0.27 1.68 1.02 0.12 -4.64 119.74 121.75 1s76 s LYS 741 Ca 0.00 1.63 -0.37 0.00 0.02 0.00 0.00 55.97 57.26 1s76 s LYS 741 Cb -0.04 -3.39 -0.17 0.00 -0.52 0.00 0.00 37.83 33.72 1s76 s LYS 741 CO -0.00 -0.18 1.17 -2.30 -0.92 0.00 0.00 175.35 173.12 1s76 n PRO 742 N 3.92 0.00 0.27 -1.68 -0.02 -1.26 -4.70 135.00 131.53 1s76 n PRO 742 Ca 0.08 0.00 -0.15 0.00 -2.02 0.00 0.00 63.50 61.41 1s76 n PRO 742 Cb 0.48 -1.24 -0.08 0.00 -0.02 0.00 0.00 33.50 32.65 1s76 n PRO 742 CO 0.00 0.00 0.00 -0.84 1.98 0.00 0.00 175.50 176.64 1s76 h ILE 743 N 3.56 0.35 -3.41 4.25 -0.00 -1.91 -3.40 117.51 116.95 1s76 h ILE 743 Ca -0.38 -0.37 -0.64 0.00 -0.00 0.00 0.00 64.86 63.46 1s76 h ILE 743 Cb 1.15 0.47 -0.14 0.00 -0.00 0.00 0.00 36.82 38.30 1s76 h ILE 743 CO 0.72 0.05 0.30 -1.10 -0.00 0.00 0.00 178.15 178.11 1s76 s GLN 744 N -4.90 3.29 0.31 0.16 -0.21 -1.26 -4.70 119.66 112.36 1s76 s GLN 744 Ca -0.15 -0.38 -0.28 0.00 0.02 0.00 0.00 55.36 54.57 1s76 s GLN 744 Cb 0.02 -4.01 -0.13 0.00 1.00 0.00 0.00 33.01 29.89 1s76 s GLN 744 CO 0.51 -1.23 1.16 2.41 -2.12 0.00 0.00 175.29 176.02 1s76 n THR 745 N 5.98 1.94 -3.80 -0.19 -1.04 -1.26 -4.43 114.28 111.48 1s76 n THR 745 Ca -0.01 -0.49 -0.24 0.00 -2.04 0.00 0.00 64.05 61.28 1s76 n THR 745 Cb 0.47 -1.28 -0.02 0.00 -1.82 0.00 0.00 70.33 67.68 1s76 n THR 745 CO 0.00 0.00 0.00 -0.13 -0.64 0.00 0.00 175.07 174.30 1s76 s ARG 746 N -1.64 3.46 -0.10 -2.82 3.00 -1.26 -3.57 118.95 116.02 1s76 s ARG 746 Ca 0.58 -0.57 -0.03 0.00 0.00 0.00 0.00 55.73 55.71 1s76 s ARG 746 Cb -0.64 -2.85 0.05 0.00 0.00 0.00 0.00 34.95 31.51 1s76 s ARG 746 CO 0.61 0.39 0.14 -0.48 0.00 0.00 0.00 175.30 175.95 1s76 s LEU 747 N -3.77 0.02 0.78 2.53 2.34 -0.97 -5.01 118.68 114.59 1s76 s LEU 747 Ca 0.36 0.10 -0.12 0.00 0.06 0.00 0.00 54.13 54.54 1s76 s LEU 747 Cb -0.10 0.13 0.06 0.00 -0.56 0.00 0.00 46.19 45.72 1s76 s LEU 747 CO 0.30 -0.27 1.12 0.20 -1.06 0.00 0.00 176.35 176.65 1s76 s ASN 748 N 2.25 4.75 -0.00 1.48 -0.87 -1.26 -3.40 114.94 117.88 1s76 s ASN 748 Ca 0.04 1.06 0.01 0.00 -1.57 0.00 0.00 52.86 52.40 1s76 s ASN 748 Cb -0.13 -1.74 0.01 0.00 -0.02 0.00 0.00 41.25 39.37 1s76 s ASN 748 CO -0.06 -1.78 0.72 0.18 -2.57 0.00 0.00 177.10 173.59 1s76 n LEU 749 N -3.28 0.17 0.00 0.60 4.77 -0.91 -5.00 117.00 113.35 1s76 n LEU 749 Ca 0.07 -0.54 0.00 0.00 -0.03 0.00 0.00 56.01 55.51 1s76 n LEU 749 Cb 0.58 -0.01 0.00 0.00 -2.33 0.00 0.00 43.42 41.66 1s76 n LEU 749 CO 0.57 0.13 0.00 0.23 -1.33 0.00 0.00 177.39 176.99 1s76 n MET 750 N -0.07 0.00 -0.05 3.23 2.81 -1.26 -4.12 117.12 117.66 1s76 n MET 750 Ca 0.00 0.00 -0.06 0.00 -1.81 0.00 0.00 57.70 55.83 1s76 n MET 750 Cb 0.56 0.00 -0.02 0.00 -0.71 0.00 0.00 33.22 33.05 1s76 n MET 750 CO 0.00 0.00 0.00 1.19 1.51 0.00 0.00 175.97 178.67 1s76 n PHE 751 N 0.00 0.00 0.16 2.03 3.72 -1.26 -4.66 117.46 117.45 1s76 n PHE 751 Ca 0.00 0.00 0.11 0.00 -0.05 0.00 0.00 57.45 57.51 1s76 n PHE 751 Cb 0.00 -0.35 0.57 0.00 -0.94 0.00 0.00 39.48 38.76 1s76 n PHE 751 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 176.76 177.99 1s76 n LEU 752 N -4.07 0.54 0.00 4.37 4.32 -1.26 -4.91 117.00 116.00 1s76 n LEU 752 Ca -0.10 0.75 0.00 0.00 -0.02 0.00 0.00 56.01 56.65 1s76 n LEU 752 Cb 0.36 -0.82 0.00 0.00 -1.62 0.00 0.00 43.42 41.34 1s76 n LEU 752 CO 0.15 -0.94 0.00 0.61 -1.22 0.00 0.00 177.39 175.99 1s76 n GLY 753 N -1.29 0.17 2.97 -0.72 0.00 -1.26 -5.03 105.19 100.02 1s76 n GLY 753 Ca -0.01 -1.95 -0.14 0.00 0.00 0.00 0.00 46.02 43.91 1s76 n GLY 753 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1s76 s GLN 754 N 0.00 0.37 -0.05 1.61 0.74 -1.26 -2.13 119.66 118.94 1s76 s GLN 754 Ca 0.00 -0.28 -0.09 0.00 0.05 0.00 0.00 55.36 55.04 1s76 s GLN 754 Cb 0.00 -0.30 0.02 0.00 1.10 0.00 0.00 33.01 33.82 1s76 s GLN 754 CO 0.00 0.08 0.22 -0.59 -0.55 0.00 0.00 175.29 174.44 1s76 s PHE 755 N -0.40 -0.15 0.00 1.67 -0.71 -1.22 -5.02 117.98 112.15 1s76 s PHE 755 Ca -0.01 0.33 0.00 0.00 -1.04 0.00 0.00 56.93 56.21 1s76 s PHE 755 Cb -0.04 0.05 0.00 0.00 -1.21 0.00 0.00 43.02 41.82 1s76 s PHE 755 CO -0.00 -0.22 0.00 0.54 -1.34 0.00 0.00 175.22 174.20 1s76 n ARG 756 N 2.21 1.02 0.00 1.99 3.00 -1.26 -2.30 116.66 121.33 1s76 n ARG 756 Ca -0.17 0.00 0.00 0.00 -0.01 0.00 0.00 57.85 57.67 1s76 n ARG 756 Cb 0.57 0.00 0.00 0.00 0.00 0.00 0.00 32.46 33.03 1s76 n ARG 756 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.63 177.52 1s76 n LEU 757 N 0.00 0.00 -4.56 0.55 0.00 -1.23 -4.90 117.00 106.86 1s76 n LEU 757 Ca 0.00 0.00 -0.56 0.00 0.00 0.00 0.00 56.01 55.45 1s76 n LEU 757 Cb 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 43.42 43.35 1s76 n LEU 757 CO 0.00 0.00 0.77 1.67 0.00 0.00 0.00 177.39 179.83 1s76 n GLN 758 N -0.05 0.60 -1.50 1.96 -0.06 -1.26 -4.13 117.38 112.93 1s76 n GLN 758 Ca 0.00 0.22 -0.42 0.00 -2.00 0.00 0.00 57.00 54.80 1s76 n GLN 758 Cb 0.00 -1.79 0.00 0.00 -4.06 0.00 0.00 30.24 24.39 1s76 n GLN 758 CO 0.00 0.00 0.00 -2.30 -0.20 0.00 0.00 177.06 174.56 1s76 n PRO 759 N 2.16 0.80 0.03 3.69 -0.02 -1.26 -4.95 135.00 135.45 1s76 n PRO 759 Ca 0.20 0.29 -0.08 0.00 -2.02 0.00 0.00 63.50 61.88 1s76 n PRO 759 Cb 0.13 -1.65 -0.06 0.00 -0.02 0.00 0.00 33.50 31.91 1s76 n PRO 759 CO 0.00 0.00 0.00 1.79 1.98 0.00 0.00 175.50 179.27 1s76 h THR 760 N 1.10 0.67 -3.06 3.45 1.35 -1.95 -3.43 112.91 111.03 1s76 h THR 760 Ca -0.41 -1.22 -0.57 0.00 -0.55 0.00 0.00 66.41 63.66 1s76 h THR 760 Cb 1.38 1.19 -0.05 0.00 -1.73 0.00 0.00 68.15 68.94 1s76 h THR 760 CO 0.54 0.20 0.93 -0.63 -0.25 0.00 0.00 175.52 176.31 1s76 s ILE 761 N -2.73 4.24 -0.85 6.82 1.01 -1.26 -4.89 121.20 123.54 1s76 s ILE 761 Ca -0.10 1.45 -0.25 0.00 0.00 0.00 0.00 60.65 61.75 1s76 s ILE 761 Cb -0.00 -4.12 -0.17 0.00 0.01 0.00 0.00 42.46 38.17 1s76 s ILE 761 CO 0.36 -0.34 2.32 0.59 0.00 0.00 0.00 174.94 177.87 1s76 n ASN 762 N 7.15 1.45 -3.37 3.58 5.03 -1.26 -4.69 115.26 123.15 1s76 n ASN 762 Ca 0.14 -1.65 0.02 0.00 0.87 0.00 0.00 54.58 53.96 1s76 n ASN 762 Cb 0.46 -1.60 -0.03 0.00 -1.02 0.00 0.00 39.78 37.58 1s76 n ASN 762 CO 0.00 0.00 0.00 -0.89 -1.83 0.00 0.00 177.26 174.54 1s76 s THR 763 N 14.37 -0.54 0.00 3.41 2.01 -1.26 -5.03 115.64 128.59 1s76 s THR 763 Ca 0.91 0.00 0.00 0.00 0.31 0.00 0.00 61.69 62.91 1s76 s THR 763 Cb -0.15 -1.00 0.00 0.00 0.01 0.00 0.00 72.50 71.36 1s76 s THR 763 CO 0.13 0.00 0.00 0.59 -0.69 0.00 0.00 174.62 174.65 1s76 n ASN 764 N 5.10 0.00 -0.30 3.53 3.02 -1.26 -4.99 115.26 120.37 1s76 n ASN 764 Ca -0.08 0.00 -0.09 0.00 -0.03 0.00 0.00 54.58 54.38 1s76 n ASN 764 Cb 0.52 0.00 -0.08 0.00 -0.61 0.00 0.00 39.78 39.61 1s76 n ASN 764 CO 0.00 0.00 0.00 0.11 -2.62 0.00 0.00 177.26 174.75 1s76 h LYS 765 N 0.00 -0.05 0.00 3.52 1.57 -2.00 -3.28 116.57 116.33 1s76 h LYS 765 Ca 0.00 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.75 1s76 h LYS 765 Cb 0.00 0.01 -0.00 0.00 0.08 0.00 0.00 32.23 32.32 1s76 h LYS 765 CO 0.00 -0.03 -0.70 -0.25 -0.57 0.00 0.00 179.45 177.90 1s76 n ASP 766 N -4.77 1.84 0.00 0.86 8.00 -1.26 -5.02 116.55 116.20 1s76 n ASP 766 Ca 0.01 0.56 0.00 0.00 0.71 0.00 0.00 54.79 56.07 1s76 n ASP 766 Cb 0.21 -0.86 0.00 0.00 -0.02 0.00 0.00 41.12 40.46 1s76 n ASP 766 CO 0.00 0.00 0.00 -0.24 -0.39 0.00 0.00 177.20 176.57 1s76 n SER 767 N -4.57 0.00 -1.17 -2.24 2.88 -1.24 -5.06 113.62 102.22 1s76 n SER 767 Ca -0.11 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.43 1s76 n SER 767 Cb 0.35 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.81 1s76 n SER 767 CO 0.00 0.00 0.00 1.21 -1.23 0.00 0.00 175.04 175.02 1s76 n GLU 768 N 0.00 0.00 -1.96 -1.46 2.13 -1.26 -4.24 120.64 113.85 1s76 n GLU 768 Ca 0.00 0.48 -0.41 0.00 0.66 0.00 0.00 57.16 57.89 1s76 n GLU 768 Cb 0.00 -0.69 -0.01 0.00 0.27 0.00 0.00 31.44 31.00 1s76 n GLU 768 CO 0.00 0.00 0.00 0.42 -0.41 0.00 0.00 177.13 177.14 1s76 s ILE 769 N 0.00 2.43 -0.91 6.31 1.01 -1.26 0.11 121.20 128.89 1s76 s ILE 769 Ca 0.00 0.41 -0.20 0.00 0.00 0.00 0.00 60.65 60.86 1s76 s ILE 769 Cb 0.00 -3.26 0.11 0.00 0.01 0.00 0.00 42.46 39.32 1s76 s ILE 769 CO 0.00 0.09 1.17 -0.62 0.00 0.00 0.00 174.94 175.57 1s76 s ASP 770 N -0.08 6.55 0.44 3.58 -1.08 -0.47 -4.54 116.67 121.06 1s76 s ASP 770 Ca 0.54 -1.79 0.23 0.00 -0.52 0.00 0.00 52.55 51.01 1s76 s ASP 770 Cb -0.43 -2.43 1.27 0.00 -1.46 0.00 0.00 42.92 39.86 1s76 s ASP 770 CO 0.53 -1.20 1.68 0.00 0.52 0.00 0.00 175.17 176.70 1s76 h ALA 771 N 9.11 1.14 0.00 3.66 0.00 -1.88 -1.40 119.26 129.88 1s76 h ALA 771 Ca 0.11 0.00 -0.05 0.00 0.00 0.00 0.00 54.91 54.96 1s76 h ALA 771 Cb 1.03 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.81 1s76 h ALA 771 CO 1.18 -0.14 -0.41 1.25 0.00 0.00 0.00 179.25 181.13 1s76 h HIS 772 N 0.00 0.00 -0.89 0.00 -0.00 -1.98 -3.30 115.15 108.98 1s76 h HIS 772 Ca 0.00 0.00 0.01 0.00 -0.00 0.00 0.00 60.37 60.38 1s76 h HIS 772 Cb 0.34 0.00 -0.05 0.00 -0.00 0.00 0.00 27.41 27.71 1s76 h HIS 772 CO 0.00 0.57 0.59 0.87 -0.00 0.00 0.00 177.93 179.97 1s76 h LYS 773 N -1.00 1.17 -0.81 5.26 1.57 -1.88 -1.75 116.57 119.13 1s76 h LYS 773 Ca -0.08 -0.07 0.22 0.00 -1.87 0.00 0.00 60.65 58.86 1s76 h LYS 773 Cb 0.66 -0.26 -0.04 0.00 0.08 0.00 0.00 32.23 32.67 1s76 h LYS 773 CO -0.05 0.77 0.57 1.96 -0.57 0.00 0.00 179.45 182.14 1s76 h GLN 774 N 1.20 0.07 0.02 3.15 1.08 -1.43 0.93 115.11 120.13 1s76 h GLN 774 Ca 0.33 -0.00 -0.33 0.00 -1.45 0.00 0.00 58.65 57.20 1s76 h GLN 774 Cb -0.13 -0.02 -0.05 0.00 -0.05 0.00 0.00 27.48 27.24 1s76 h GLN 774 CO -0.08 0.05 -1.96 -1.91 -0.95 0.00 0.00 178.83 173.98 1s76 n GLU 775 N -4.34 0.67 0.15 1.46 2.13 -0.73 -3.17 120.64 116.82 1s76 n GLU 775 Ca 0.17 0.21 0.03 0.00 0.66 0.00 0.00 57.16 58.23 1s76 n GLU 775 Cb 0.83 -1.70 0.10 0.00 0.27 0.00 0.00 31.44 30.94 1s76 n GLU 775 CO 0.00 0.00 0.00 0.66 -0.41 0.00 0.00 177.13 177.38 1s76 h SER 776 N 0.01 0.00 0.21 4.31 4.64 -0.68 -3.35 113.55 118.70 1s76 h SER 776 Ca -0.39 0.00 -0.35 0.00 -0.47 0.00 0.00 61.79 60.59 1s76 h SER 776 Cb 2.06 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 64.12 1s76 h SER 776 CO 0.06 0.48 -1.99 0.61 -0.87 0.00 0.00 176.83 175.12 1s76 n GLY 777 N 0.99 -0.70 0.29 -0.77 0.00 0.26 -4.51 105.19 100.76 1s76 n GLY 777 Ca 0.01 -0.20 0.04 0.00 0.00 0.00 0.00 46.02 45.87 1s76 n GLY 777 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 1s76 n ILE 778 N -3.28 -0.35 0.29 -0.61 0.13 -1.19 -0.39 119.36 113.96 1s76 n ILE 778 Ca -0.29 1.84 -0.12 0.00 -1.10 0.00 0.00 62.75 63.08 1s76 n ILE 778 Cb 1.05 -2.52 -0.06 0.00 -0.84 0.00 0.00 39.64 37.27 1s76 n ILE 778 CO 0.00 0.00 0.00 0.00 2.80 0.00 0.00 176.55 179.35 1s76 h ALA 779 N 1.51 -0.99 -0.53 1.51 0.00 -1.79 -1.21 119.26 117.75 1s76 h ALA 779 Ca 0.36 -0.17 0.08 0.00 0.00 0.00 0.00 54.91 55.19 1s76 h ALA 779 Cb 0.56 0.29 -0.06 0.00 0.00 0.00 0.00 17.79 18.58 1s76 h ALA 779 CO -0.82 -0.94 0.17 -1.00 0.00 0.00 0.00 179.25 176.67 1s76 h PRO 780 N -0.91 0.33 -0.83 0.00 0.13 -1.52 -2.10 132.00 127.10 1s76 h PRO 780 Ca -0.08 -0.02 0.05 0.00 -0.87 0.00 0.00 66.00 65.08 1s76 h PRO 780 Cb 0.58 -0.08 -0.05 0.00 0.13 0.00 0.00 31.00 31.59 1s76 h PRO 780 CO 0.13 0.22 0.55 -0.91 -0.23 0.00 0.00 178.00 177.75 1s76 h ASN 781 N 0.34 0.86 0.03 1.44 -0.26 -0.78 -2.16 115.58 115.05 1s76 h ASN 781 Ca 0.26 -0.00 -0.00 0.00 -0.56 0.00 0.00 56.30 56.00 1s76 h ASN 781 Cb 0.31 -0.19 0.00 0.00 -1.06 0.00 0.00 38.32 37.38 1s76 h ASN 781 CO -0.28 0.57 -0.01 0.15 -1.06 0.00 0.00 177.43 176.80 1s76 h PHE 782 N 0.99 -0.03 -0.18 1.19 3.57 -0.52 -1.96 116.94 120.00 1s76 h PHE 782 Ca 0.34 -0.00 -0.13 0.00 3.53 0.00 0.00 57.97 61.71 1s76 h PHE 782 Cb 0.11 0.01 -0.01 0.00 2.79 0.00 0.00 35.95 38.85 1s76 h PHE 782 CO -0.00 0.20 -0.44 -0.39 -2.23 0.00 0.00 178.31 175.45 1s76 h VAL 783 N -0.26 1.31 -0.55 1.41 -1.51 -1.45 -1.72 116.25 113.49 1s76 h VAL 783 Ca -0.00 -1.62 0.02 0.00 -1.23 0.00 0.00 66.70 63.86 1s76 h VAL 783 Cb 0.25 1.66 -0.03 0.00 -2.13 0.00 0.00 31.29 31.03 1s76 h VAL 783 CO 0.01 0.50 0.34 0.45 -1.23 0.00 0.00 177.57 177.64 1s76 h HIS 784 N 0.36 0.64 0.00 5.19 3.86 -1.36 0.39 115.15 124.23 1s76 h HIS 784 Ca 0.03 0.02 0.00 0.00 -1.16 0.00 0.00 60.37 59.25 1s76 h HIS 784 Cb 0.92 -0.21 0.00 0.00 1.06 0.00 0.00 27.41 29.18 1s76 h HIS 784 CO 0.03 0.38 0.00 -1.13 0.86 0.00 0.00 177.93 178.07 1s76 n SER 785 N -4.75 0.49 0.07 2.45 3.41 -0.74 -0.69 113.62 113.85 1s76 n SER 785 Ca 0.04 0.61 -0.18 0.00 -0.26 0.00 0.00 58.87 59.08 1s76 n SER 785 Cb 0.06 -0.72 -0.14 0.00 -0.26 0.00 0.00 64.21 63.15 1s76 n SER 785 CO 0.00 0.00 0.00 1.56 -0.16 0.00 0.00 175.04 176.44 1s76 h GLN 786 N 0.00 0.29 0.21 4.33 1.08 0.55 -3.07 115.11 118.50 1s76 h GLN 786 Ca 0.00 -0.49 -0.32 0.00 -1.45 0.00 0.00 58.65 56.39 1s76 h GLN 786 Cb 0.37 0.18 0.03 0.00 -0.05 0.00 0.00 27.48 28.01 1s76 h GLN 786 CO 0.00 1.16 -1.42 0.38 -0.95 0.00 0.00 178.83 178.00 1s76 h ASP 787 N 0.08 0.70 -0.92 1.46 3.04 -0.35 -1.91 116.42 118.52 1s76 h ASP 787 Ca -0.27 -0.76 0.03 0.00 -3.24 0.00 0.00 57.03 52.79 1s76 h ASP 787 Cb 2.04 -0.23 -0.05 0.00 -1.04 0.00 0.00 39.33 40.05 1s76 h ASP 787 CO 0.17 1.60 0.60 1.23 -2.04 0.00 0.00 179.24 180.80 1s76 h GLY 788 N 0.68 1.33 1.21 7.15 0.00 -1.05 1.75 103.07 114.15 1s76 h GLY 788 Ca -0.22 -0.47 -0.13 0.00 0.00 0.00 0.00 47.33 46.51 1s76 h GLY 788 CO 0.25 0.42 -0.26 0.23 0.00 0.00 0.00 176.54 177.18 1s76 h SER 789 N 1.20 0.92 -0.13 0.19 0.87 -1.58 0.12 113.55 115.13 1s76 h SER 789 Ca 0.36 -0.36 -0.08 0.00 -1.23 0.00 0.00 61.79 60.48 1s76 h SER 789 Cb -0.05 -0.25 -0.02 0.00 -0.44 0.00 0.00 62.40 61.64 1s76 h SER 789 CO -0.10 1.12 -0.16 -0.74 -0.53 0.00 0.00 176.83 176.42 1s76 h HIS 790 N 0.76 0.57 -0.27 2.24 -0.00 -0.03 0.73 115.15 119.15 1s76 h HIS 790 Ca 0.09 -0.10 -0.11 0.00 -0.00 0.00 0.00 60.37 60.26 1s76 h HIS 790 Cb 0.82 -0.15 -0.00 0.00 -0.00 0.00 0.00 27.41 28.08 1s76 h HIS 790 CO 0.05 0.66 -0.26 1.25 -0.00 0.00 0.00 177.93 179.63 1s76 h LEU 791 N 0.47 0.69 -0.32 0.26 6.46 0.30 -2.00 115.31 121.17 1s76 h LEU 791 Ca 0.08 -0.47 -0.14 0.00 -0.12 0.00 0.00 57.88 57.24 1s76 h LEU 791 Cb 0.55 -0.19 -0.00 0.00 -0.73 0.00 0.00 40.66 40.29 1s76 h LEU 791 CO 0.04 1.02 -0.33 0.03 -0.62 0.00 0.00 178.44 178.57 1s76 h ARG 792 N 0.38 0.79 -0.63 1.25 3.08 -0.37 -2.32 114.38 116.55 1s76 h ARG 792 Ca 0.04 -0.42 -0.00 0.00 0.07 0.00 0.00 59.98 59.67 1s76 h ARG 792 Cb 0.82 0.02 -0.03 0.00 0.08 0.00 0.00 29.97 30.86 1s76 h ARG 792 CO 0.06 1.05 0.39 -0.22 -1.07 0.00 0.00 179.97 180.18 1s76 h LYS 793 N 0.55 0.84 -0.13 0.04 1.63 0.47 -2.12 116.57 117.85 1s76 h LYS 793 Ca 0.05 -0.06 -0.22 0.00 -0.85 0.00 0.00 60.65 59.57 1s76 h LYS 793 Cb 0.91 -0.18 0.01 0.00 -0.60 0.00 0.00 32.23 32.37 1s76 h LYS 793 CO 0.08 0.58 -0.78 1.15 -3.45 0.00 0.00 179.45 177.03 1s76 h THR 794 N 0.86 1.30 -0.43 1.00 2.02 -1.30 -0.33 112.91 116.03 1s76 h THR 794 Ca 0.23 -2.03 -0.04 0.00 0.77 0.00 0.00 66.41 65.34 1s76 h THR 794 Cb -0.05 2.03 -0.02 0.00 -1.74 0.00 0.00 68.15 68.37 1s76 h THR 794 CO -0.04 0.63 0.12 0.58 0.37 0.00 0.00 175.52 177.18 1s76 h VAL 795 N 0.47 1.23 -0.26 3.16 2.07 -1.12 0.46 116.25 122.26 1s76 h VAL 795 Ca -0.05 -0.77 -0.10 0.00 0.82 0.00 0.00 66.70 66.60 1s76 h VAL 795 Cb 1.40 0.91 -0.00 0.00 -1.52 0.00 0.00 31.29 32.07 1s76 h VAL 795 CO 0.15 0.27 -0.22 0.58 0.02 0.00 0.00 177.57 178.38 1s76 h VAL 796 N 0.56 1.31 0.08 2.57 2.07 -1.42 -2.13 116.25 119.30 1s76 h VAL 796 Ca 0.14 -1.37 -0.00 0.00 0.82 0.00 0.00 66.70 66.29 1s76 h VAL 796 Cb 0.30 1.62 0.00 0.00 -1.52 0.00 0.00 31.29 31.69 1s76 h VAL 796 CO -0.00 0.43 -0.04 -0.25 0.02 0.00 0.00 177.57 177.73 1s76 h TRP 797 N 0.32 -0.10 -0.50 1.57 2.91 -0.91 -0.84 115.95 118.39 1s76 h TRP 797 Ca 0.05 -0.00 0.03 0.00 1.13 0.00 0.00 58.89 60.10 1s76 h TRP 797 Cb 0.77 0.03 -0.03 0.00 -0.51 0.00 0.00 29.16 29.42 1s76 h TRP 797 CO 0.07 0.06 0.33 0.00 -1.03 0.00 0.00 178.44 177.88 1s76 h ALA 798 N 0.65 1.78 0.03 2.65 0.00 -0.11 -1.24 119.26 123.02 1s76 h ALA 798 Ca -0.01 -0.02 -0.11 0.00 0.00 0.00 0.00 54.91 54.77 1s76 h ALA 798 Cb 0.21 -0.15 0.01 0.00 0.00 0.00 0.00 17.79 17.86 1s76 h ALA 798 CO 0.02 0.16 -0.45 1.25 0.00 0.00 0.00 179.25 180.23 1s76 h HIS 799 N 0.55 0.40 0.00 0.00 -0.00 -1.14 -1.66 115.15 113.30 1s76 h HIS 799 Ca 0.20 -0.24 -0.20 0.00 -0.00 0.00 0.00 60.37 60.13 1s76 h HIS 799 Cb 0.12 -0.04 -0.03 0.00 -0.00 0.00 0.00 27.41 27.46 1s76 h HIS 799 CO -0.00 1.08 -0.99 0.93 -0.00 0.00 0.00 177.93 178.95 1s76 h GLU 800 N -0.40 0.00 0.00 5.26 5.08 -1.10 -0.78 114.58 122.64 1s76 h GLU 800 Ca -0.06 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.26 1s76 h GLU 800 Cb 1.23 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.47 1s76 h GLU 800 CO 0.09 0.92 -1.90 1.63 -1.00 0.00 0.00 179.01 178.75 1s76 n LYS 801 N -3.32 0.66 0.00 2.33 4.76 -0.48 -4.56 118.16 117.54 1s76 n LYS 801 Ca -0.01 -0.13 0.00 0.00 -2.87 0.00 0.00 58.31 55.30 1s76 n LYS 801 Cb 0.93 -1.56 0.00 0.00 -1.84 0.00 0.00 35.03 32.55 1s76 n LYS 801 CO 0.00 0.00 0.00 0.66 -1.37 0.00 0.00 177.40 176.69 1s76 n TYR 802 N -2.37 0.00 -2.91 2.13 4.01 -0.66 -5.03 117.16 112.33 1s76 n TYR 802 Ca -0.07 0.00 -0.16 0.00 -0.16 0.00 0.00 57.90 57.52 1s76 n TYR 802 Cb 0.63 0.00 0.03 0.00 -0.31 0.00 0.00 39.34 39.70 1s76 n TYR 802 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1s76 n GLY 803 N 0.36 -0.13 3.72 2.72 0.00 -0.30 -4.94 105.19 106.62 1s76 n GLY 803 Ca 0.00 -0.12 -0.40 0.00 0.00 0.00 0.00 46.02 45.50 1s76 n GLY 803 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1s76 s ILE 804 N -3.04 4.93 -0.11 -0.61 1.01 -1.07 -4.94 121.20 117.36 1s76 s ILE 804 Ca 0.26 1.62 0.11 0.00 0.00 0.00 0.00 60.65 62.64 1s76 s ILE 804 Cb -0.12 -4.12 -0.15 0.00 0.01 0.00 0.00 42.46 38.09 1s76 s ILE 804 CO 0.32 0.26 0.06 -0.62 0.00 0.00 0.00 174.94 174.97 1s76 n GLU 805 N 3.53 1.94 -3.81 2.79 1.02 -1.26 -4.33 120.64 120.53 1s76 n GLU 805 Ca -0.00 -0.01 -0.35 0.00 -0.02 0.00 0.00 57.16 56.78 1s76 n GLU 805 Cb 0.51 -1.31 -0.09 0.00 -0.02 0.00 0.00 31.44 30.53 1s76 n GLU 805 CO 0.00 0.00 0.00 -1.12 1.18 0.00 0.00 177.13 177.19 1s76 s SER 806 N -4.42 6.02 -0.02 1.62 0.01 -1.26 -4.41 113.70 111.24 1s76 s SER 806 Ca -0.06 0.17 0.01 0.00 1.31 0.00 0.00 55.95 57.38 1s76 s SER 806 Cb 0.04 -2.05 0.01 0.00 0.21 0.00 0.00 66.02 64.23 1s76 s SER 806 CO 0.50 0.17 -0.02 -0.36 0.41 0.00 0.00 173.24 173.93 1s76 s PHE 807 N 0.43 0.35 -0.36 2.43 0.40 -1.26 -4.52 117.98 115.45 1s76 s PHE 807 Ca 0.06 -0.05 0.01 0.00 -0.60 0.00 0.00 56.93 56.36 1s76 s PHE 807 Cb -0.12 -0.33 0.10 0.00 0.51 0.00 0.00 43.02 43.18 1s76 s PHE 807 CO -0.01 -0.07 0.10 0.00 0.70 0.00 0.00 175.22 175.94 1s76 s ALA 808 N 0.48 2.98 -0.09 5.36 0.00 0.13 -4.93 121.76 125.68 1s76 s ALA 808 Ca -0.05 -2.45 -0.02 0.00 0.00 0.00 0.00 51.96 49.44 1s76 s ALA 808 Cb -0.08 -2.12 -0.03 0.00 0.00 0.00 0.00 23.12 20.89 1s76 s ALA 808 CO -0.01 -1.68 -0.02 -0.51 0.00 0.00 0.00 175.76 173.54 1s76 s LEU 809 N 1.02 3.45 -0.36 0.00 1.43 -1.26 0.48 118.68 123.45 1s76 s LEU 809 Ca 0.08 0.07 0.14 0.00 -1.03 0.00 0.00 54.13 53.39 1s76 s LEU 809 Cb -0.21 -1.79 0.41 0.00 0.03 0.00 0.00 46.19 44.64 1s76 s LEU 809 CO -0.06 0.35 1.00 -0.38 0.23 0.00 0.00 176.35 177.49 1s76 n ILE 810 N 2.35 0.46 0.00 -0.59 5.41 -0.44 -4.75 119.36 121.80 1s76 n ILE 810 Ca -0.18 -2.92 0.00 0.00 1.00 0.00 0.00 62.75 60.65 1s76 n ILE 810 Cb 0.53 0.62 0.00 0.00 -0.71 0.00 0.00 39.64 40.08 1s76 n ILE 810 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 176.55 177.96 1s76 n HIS 811 N -0.06 0.00 -1.34 1.39 8.25 -1.26 -3.34 115.22 118.86 1s76 n HIS 811 Ca 0.10 0.00 0.06 0.00 -0.26 0.00 0.00 57.72 57.61 1s76 n HIS 811 Cb 0.78 0.00 0.19 0.00 1.12 0.00 0.00 29.99 32.08 1s76 n HIS 811 CO 0.00 0.00 0.00 -0.40 0.64 0.00 0.00 176.34 176.58 1s76 n ASP 812 N 3.94 2.28 -4.07 0.41 3.85 -1.26 -4.70 116.55 117.00 1s76 n ASP 812 Ca 0.00 -3.52 -0.29 0.00 -0.71 0.00 0.00 54.79 50.27 1s76 n ASP 812 Cb 0.00 -0.52 -0.17 0.00 -1.35 0.00 0.00 41.12 39.09 1s76 n ASP 812 CO 0.00 0.00 0.00 -0.55 -1.01 0.00 0.00 177.20 175.64 1s76 s SER 813 N -2.86 2.48 -0.14 -1.12 0.15 -1.21 -2.01 113.70 108.99 1s76 s SER 813 Ca 0.38 -0.44 0.02 0.00 0.70 0.00 0.00 55.95 56.60 1s76 s SER 813 Cb 0.34 -1.12 0.00 0.00 -1.71 0.00 0.00 66.02 63.54 1s76 s SER 813 CO -0.01 0.03 -0.19 -0.36 1.20 0.00 0.00 173.24 173.91 1s76 s PHE 814 N 0.91 2.70 0.05 3.44 0.40 0.28 -1.33 117.98 124.43 1s76 s PHE 814 Ca -0.08 -1.10 0.01 0.00 -0.60 0.00 0.00 56.93 55.16 1s76 s PHE 814 Cb -0.15 -1.82 -0.03 0.00 0.51 0.00 0.00 43.02 41.53 1s76 s PHE 814 CO -0.01 -0.48 -0.05 0.20 0.70 0.00 0.00 175.22 175.58 1s76 s GLY 815 N 0.66 0.48 0.00 4.36 0.00 0.18 0.10 107.32 113.11 1s76 s GLY 815 Ca -0.09 -0.92 0.00 0.00 0.00 0.00 0.00 44.72 43.71 1s76 s GLY 815 CO 0.02 -1.00 0.00 2.41 0.00 0.00 0.00 173.10 174.53 1s76 n THR 816 N 0.94 0.00 -3.14 0.90 -1.04 -1.13 0.18 114.28 110.99 1s76 n THR 816 Ca -0.19 0.00 -0.32 0.00 -2.04 0.00 0.00 64.05 61.50 1s76 n THR 816 Cb 0.57 0.00 -0.06 0.00 -1.82 0.00 0.00 70.33 69.02 1s76 n THR 816 CO 0.00 0.00 0.00 0.27 -0.64 0.00 0.00 175.07 174.70 1s76 s ILE 817 N -2.56 4.72 0.32 12.58 -4.36 -1.26 0.21 121.20 130.86 1s76 s ILE 817 Ca 0.00 0.85 0.07 0.00 -0.26 0.00 0.00 60.65 61.31 1s76 s ILE 817 Cb 0.00 -3.62 0.38 0.00 1.25 0.00 0.00 42.46 40.46 1s76 s ILE 817 CO 0.00 -0.21 1.59 -0.65 0.24 0.00 0.00 174.94 175.91 1s76 h PRO 818 N 2.17 0.05 0.00 0.37 0.11 -1.81 0.14 132.00 133.03 1s76 h PRO 818 Ca -0.48 -0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.62 1s76 h PRO 818 Cb 1.18 -0.01 -0.00 0.00 0.11 0.00 0.00 31.00 32.27 1s76 h PRO 818 CO 0.66 0.03 -0.04 0.00 -0.21 0.00 0.00 178.00 178.44 1s76 h ALA 819 N 1.95 1.24 -0.01 -0.75 0.00 -1.83 -2.80 119.26 117.06 1s76 h ALA 819 Ca 0.66 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.53 1s76 h ALA 819 Cb 1.48 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.27 1s76 h ALA 819 CO -0.83 0.05 -0.10 -0.25 0.00 0.00 0.00 179.25 178.12 1s76 n ASP 820 N -3.48 1.77 -0.22 0.00 8.00 0.45 -4.65 116.55 118.42 1s76 n ASP 820 Ca -0.02 -1.39 0.01 0.00 0.71 0.00 0.00 54.79 54.10 1s76 n ASP 820 Cb 0.15 0.18 0.13 0.00 -0.02 0.00 0.00 41.12 41.57 1s76 n ASP 820 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1s76 h ALA 821 N 2.32 0.86 -0.59 2.24 0.00 -1.16 -1.42 119.26 121.50 1s76 h ALA 821 Ca 0.00 0.09 0.11 0.00 0.00 0.00 0.00 54.91 55.11 1s76 h ALA 821 Cb 0.48 0.06 -0.08 0.00 0.00 0.00 0.00 17.79 18.25 1s76 h ALA 821 CO 0.00 -0.19 0.15 0.00 0.00 0.00 0.00 179.25 179.21 1s76 h ALA 822 N 1.45 0.72 0.00 0.00 0.00 -1.83 0.21 119.26 119.82 1s76 h ALA 822 Ca 0.34 0.12 -0.14 0.00 0.00 0.00 0.00 54.91 55.23 1s76 h ALA 822 Cb 0.44 0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.35 1s76 h ALA 822 CO -0.33 -0.28 -0.65 -0.91 0.00 0.00 0.00 179.25 177.08 1s76 h ASN 823 N 0.29 0.00 0.26 0.00 2.35 -1.67 -2.59 115.58 114.22 1s76 h ASN 823 Ca 0.31 0.00 -0.17 0.00 -0.55 0.00 0.00 56.30 55.89 1s76 h ASN 823 Cb 0.44 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.80 1s76 h ASN 823 CO -0.37 0.65 -0.66 0.25 -1.65 0.00 0.00 177.43 175.64 1s76 h LEU 824 N 0.00 0.43 -1.50 1.61 5.85 -0.45 0.46 115.31 121.71 1s76 h LEU 824 Ca -0.01 -0.26 0.04 0.00 0.84 0.00 0.00 57.88 58.48 1s76 h LEU 824 Cb 1.17 -0.13 -0.03 0.00 0.37 0.00 0.00 40.66 42.04 1s76 h LEU 824 CO 0.08 0.97 0.38 0.15 -0.34 0.00 0.00 178.44 179.69 1s76 h PHE 825 N 0.26 0.63 0.04 1.25 3.04 -0.36 -0.40 116.94 121.41 1s76 h PHE 825 Ca -0.02 0.02 -0.21 0.00 3.98 0.00 0.00 57.97 61.74 1s76 h PHE 825 Cb 1.21 -0.21 -0.02 0.00 2.56 0.00 0.00 35.95 39.50 1s76 h PHE 825 CO 0.04 0.36 -1.13 0.87 -2.02 0.00 0.00 178.31 176.43 1s76 h LYS 826 N 0.65 0.09 -0.17 1.11 1.57 -1.17 -3.39 116.57 115.27 1s76 h LYS 826 Ca 0.23 -0.16 0.02 0.00 -1.87 0.00 0.00 60.65 58.88 1s76 h LYS 826 Cb 0.11 0.06 -0.04 0.00 0.08 0.00 0.00 32.23 32.44 1s76 h LYS 826 CO -0.06 1.07 -0.25 0.00 -0.57 0.00 0.00 179.45 179.64 1s76 h ALA 827 N -0.23 -0.54 -2.93 3.86 0.00 0.18 -1.00 119.26 118.59 1s76 h ALA 827 Ca -0.28 -0.01 -0.54 0.00 0.00 0.00 0.00 54.91 54.09 1s76 h ALA 827 Cb 1.44 0.88 0.10 0.00 0.00 0.00 0.00 17.79 20.20 1s76 h ALA 827 CO -0.07 -0.66 0.70 0.54 0.00 0.00 0.00 179.25 179.76 1s76 s VAL 828 N -4.21 2.27 0.00 0.00 0.11 -0.18 -1.46 120.40 116.92 1s76 s VAL 828 Ca -0.07 0.25 0.00 0.00 -2.93 0.00 0.00 61.98 59.24 1s76 s VAL 828 Cb 0.04 -3.15 0.00 0.00 -1.53 0.00 0.00 36.38 31.73 1s76 s VAL 828 CO 0.28 0.05 0.00 0.54 -3.33 0.00 0.00 175.10 172.64 1s76 n ARG 829 N 0.25 0.00 -0.35 1.54 1.74 -1.24 -4.68 116.66 113.92 1s76 n ARG 829 Ca 0.03 0.00 0.03 0.00 -0.77 0.00 0.00 57.85 57.13 1s76 n ARG 829 Cb 0.41 0.00 0.18 0.00 -1.02 0.00 0.00 32.46 32.03 1s76 n ARG 829 CO 0.00 0.00 0.00 0.93 -1.52 0.00 0.00 177.63 177.04 1s76 h GLU 830 N 0.00 1.06 -0.15 5.56 5.08 -0.01 0.40 114.58 126.52 1s76 h GLU 830 Ca 0.00 -0.06 -0.11 0.00 -1.00 0.00 0.00 59.36 58.19 1s76 h GLU 830 Cb 0.00 -0.24 0.00 0.00 0.50 0.00 0.00 28.75 29.01 1s76 h GLU 830 CO 0.00 0.70 -0.33 1.15 -1.00 0.00 0.00 179.01 179.53 1s76 h THR 831 N 1.09 1.36 -0.06 1.13 2.02 -1.56 0.44 112.91 117.32 1s76 h THR 831 Ca 0.43 -1.60 0.04 0.00 0.77 0.00 0.00 66.41 66.05 1s76 h THR 831 Cb 0.23 2.00 -0.05 0.00 -1.74 0.00 0.00 68.15 68.58 1s76 h THR 831 CO -0.19 0.48 -0.29 -0.03 0.37 0.00 0.00 175.52 175.86 1s76 h MET 832 N 0.11 -0.39 0.94 6.66 -1.53 -1.54 -0.70 114.93 118.48 1s76 h MET 832 Ca 0.00 0.03 -0.05 0.00 -3.44 0.00 0.00 59.70 56.24 1s76 h MET 832 Cb 0.93 0.09 0.01 0.00 -0.55 0.00 0.00 31.60 32.08 1s76 h MET 832 CO 0.07 -0.26 -0.45 0.28 0.14 0.00 0.00 176.91 176.69 1s76 h VAL 833 N -0.40 0.00 -0.64 -5.77 2.07 -0.21 -2.80 116.25 108.49 1s76 h VAL 833 Ca 0.08 -0.01 0.12 0.00 0.82 0.00 0.00 66.70 67.71 1s76 h VAL 833 Cb 0.52 0.00 -0.04 0.00 -1.52 0.00 0.00 31.29 30.25 1s76 h VAL 833 CO -0.29 0.00 0.43 0.44 0.02 0.00 0.00 177.57 178.17 1s76 h ASP 834 N -1.27 0.33 0.50 0.57 5.19 -0.89 -1.88 116.42 118.97 1s76 h ASP 834 Ca -0.13 0.01 -0.02 0.00 -0.62 0.00 0.00 57.03 56.27 1s76 h ASP 834 Cb 0.97 -0.06 0.00 0.00 0.18 0.00 0.00 39.33 40.43 1s76 h ASP 834 CO 0.21 0.19 -0.24 0.74 -3.12 0.00 0.00 179.24 177.02 1s76 h THR 835 N 0.36 0.35 0.00 0.35 2.02 -1.06 -1.60 112.91 113.33 1s76 h THR 835 Ca 0.31 -0.44 0.00 0.00 0.77 0.00 0.00 66.41 67.05 1s76 h THR 835 Cb 0.70 0.50 0.00 0.00 -1.74 0.00 0.00 68.15 67.61 1s76 h THR 835 CO -0.08 0.05 0.00 -1.22 0.37 0.00 0.00 175.52 174.64 1s76 n TYR 836 N -5.27 0.00 -0.05 3.16 4.01 -1.07 -2.62 117.16 115.33 1s76 n TYR 836 Ca -0.11 0.00 -0.01 0.00 -0.16 0.00 0.00 57.90 57.63 1s76 n TYR 836 Cb 0.31 0.00 -0.13 0.00 -0.31 0.00 0.00 39.34 39.21 1s76 n TYR 836 CO 0.00 0.00 0.00 -1.91 -0.46 0.00 0.00 176.86 174.49 1s76 n GLU 837 N -0.99 1.02 0.05 -0.72 2.13 -0.72 -4.47 120.64 116.95 1s76 n GLU 837 Ca 0.23 -0.07 -0.01 0.00 0.66 0.00 0.00 57.16 57.96 1s76 n GLU 837 Cb 0.10 -1.41 -0.07 0.00 0.27 0.00 0.00 31.44 30.33 1s76 n GLU 837 CO 0.00 0.00 0.00 0.77 -0.41 0.00 0.00 177.13 177.49 1s76 h SER 838 N 0.00 0.00 -4.74 4.31 0.02 -1.17 -3.48 113.55 108.49 1s76 h SER 838 Ca -0.25 0.00 -0.13 0.00 -0.84 0.00 0.00 61.79 60.57 1s76 h SER 838 Cb 1.48 0.00 -0.21 0.00 0.14 0.00 0.00 62.40 63.81 1s76 h SER 838 CO 0.01 0.67 -0.34 0.00 -1.14 0.00 0.00 176.83 176.03 1s76 s ASP 840 N -1.02 6.56 0.55 0.00 3.68 -1.26 -4.57 116.67 120.61 1s76 s ASP 840 Ca -0.11 -2.25 0.28 0.00 2.13 0.00 0.00 52.55 52.60 1s76 s ASP 840 Cb -0.05 -2.26 1.45 0.00 -1.45 0.00 0.00 42.92 40.61 1s76 s ASP 840 CO 0.03 -0.79 1.95 -0.37 0.13 0.00 0.00 175.17 176.12 1s76 h VAL 841 N 5.31 0.60 0.10 1.11 -1.51 -1.94 0.45 116.25 120.38 1s76 h VAL 841 Ca -0.01 0.00 -0.31 0.00 -1.23 0.00 0.00 66.70 65.16 1s76 h VAL 841 Cb 1.05 0.66 -0.01 0.00 -2.13 0.00 0.00 31.29 30.86 1s76 h VAL 841 CO 0.91 0.00 -1.58 -0.07 -1.23 0.00 0.00 177.57 175.60 1s76 h LEU 842 N 0.00 0.32 -0.39 4.19 3.38 -1.91 -2.57 115.31 118.33 1s76 h LEU 842 Ca 0.30 -0.49 -0.18 0.00 0.09 0.00 0.00 57.88 57.59 1s76 h LEU 842 Cb 1.25 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 41.89 1s76 h LEU 842 CO -0.00 1.42 -0.67 0.00 0.09 0.00 0.00 178.44 179.27 1s76 h ALA 843 N 0.54 0.57 -0.18 1.53 0.00 -1.62 -1.48 119.26 118.61 1s76 h ALA 843 Ca -0.26 -0.57 -0.11 0.00 0.00 0.00 0.00 54.91 53.97 1s76 h ALA 843 Cb 2.01 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 19.73 1s76 h ALA 843 CO 0.14 0.72 -0.37 -0.44 0.00 0.00 0.00 179.25 179.30 1s76 h ASP 844 N 0.39 0.39 -0.25 0.00 3.45 -0.26 -1.85 116.42 118.29 1s76 h ASP 844 Ca -0.02 -0.16 -0.04 0.00 0.43 0.00 0.00 57.03 57.24 1s76 h ASP 844 Cb 1.25 -0.11 -0.01 0.00 -0.56 0.00 0.00 39.33 39.90 1s76 h ASP 844 CO 0.13 0.73 0.00 0.15 -1.57 0.00 0.00 179.24 178.68 1s76 h PHE 845 N 0.32 0.47 0.38 4.55 3.57 -1.24 -2.49 116.94 122.50 1s76 h PHE 845 Ca 0.03 -0.08 -0.00 0.00 3.53 0.00 0.00 57.97 61.45 1s76 h PHE 845 Cb 0.80 -0.12 -0.02 0.00 2.79 0.00 0.00 35.95 39.40 1s76 h PHE 845 CO 0.02 0.60 -0.35 -0.92 -2.23 0.00 0.00 178.31 175.43 1s76 h TYR 846 N 0.21 -0.93 0.00 0.41 5.03 -1.01 0.01 116.97 120.69 1s76 h TYR 846 Ca 0.07 0.00 0.00 0.00 2.58 0.00 0.00 58.73 61.38 1s76 h TYR 846 Cb 0.40 0.36 0.00 0.00 1.55 0.00 0.00 36.73 39.04 1s76 h TYR 846 CO 0.03 -0.50 0.40 -0.44 -1.32 0.00 0.00 178.16 176.33 1s76 h ASP 847 N -0.74 0.00 1.12 -2.11 3.32 -1.27 0.62 116.42 117.35 1s76 h ASP 847 Ca -0.03 0.00 -0.15 0.00 0.02 0.00 0.00 57.03 56.87 1s76 h ASP 847 Cb 0.66 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.19 1s76 h ASP 847 CO -0.04 0.00 -0.72 -0.61 -1.72 0.00 0.00 179.24 176.15 1s76 h GLN 848 N 0.00 0.00 0.00 3.56 5.75 -0.52 -3.36 115.11 120.54 1s76 h GLN 848 Ca 0.00 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.50 1s76 h GLN 848 Cb 0.79 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.34 1s76 h GLN 848 CO 0.00 0.72 -0.20 1.97 -2.65 0.00 0.00 178.83 178.67 1s76 n PHE 849 N -3.37 0.00 0.00 3.99 -1.74 -0.16 -4.64 117.46 111.53 1s76 n PHE 849 Ca 0.01 0.00 0.00 0.00 -0.56 0.00 0.00 57.45 56.90 1s76 n PHE 849 Cb 0.79 0.00 0.00 0.00 1.52 0.00 0.00 39.48 41.79 1s76 n PHE 849 CO 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 176.76 176.20 1s76 n ALA 850 N -0.94 -0.08 -0.09 1.98 0.00 0.20 -3.25 120.51 118.33 1s76 n ALA 850 Ca 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 53.44 53.38 1s76 n ALA 850 Cb 0.00 0.15 0.13 0.00 0.00 0.00 0.00 19.45 19.73 1s76 n ALA 850 CO 0.00 0.00 0.00 0.38 0.00 0.00 0.00 177.50 177.88 1s76 h ASP 851 N 0.00 0.75 -3.95 0.00 2.03 -1.82 -3.41 116.42 110.01 1s76 h ASP 851 Ca 0.00 -0.22 -0.47 0.00 -0.73 0.00 0.00 57.03 55.61 1s76 h ASP 851 Cb 0.00 -0.20 0.16 0.00 -0.83 0.00 0.00 39.33 38.45 1s76 h ASP 851 CO 0.00 0.88 0.21 -1.58 -1.03 0.00 0.00 179.24 177.73 1s76 s GLN 852 N -4.80 0.80 0.00 4.15 -0.44 -1.20 -4.67 119.66 113.49 1s76 s GLN 852 Ca -0.09 0.73 0.00 0.00 -2.50 0.00 0.00 55.36 53.49 1s76 s GLN 852 Cb 0.14 -1.76 0.00 0.00 -1.64 0.00 0.00 33.01 29.75 1s76 s GLN 852 CO 0.82 -2.53 0.00 1.28 0.50 0.00 0.00 175.29 175.36 1s76 n LEU 853 N -4.07 0.00 0.00 3.68 4.32 -1.26 -4.58 117.00 115.09 1s76 n LEU 853 Ca 0.06 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 56.05 1s76 n LEU 853 Cb 0.56 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.36 1s76 n LEU 853 CO 0.56 0.00 0.00 1.57 -1.22 0.00 0.00 177.39 178.30 1s76 n HIS 854 N 0.00 0.00 -0.11 -1.77 -0.00 -1.26 -4.83 115.22 107.25 1s76 n HIS 854 Ca 0.00 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.18 1s76 n HIS 854 Cb 0.00 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 29.87 1s76 n HIS 854 CO 0.00 0.00 0.00 -1.91 0.46 0.00 0.00 176.34 174.89 1s76 n GLU 855 N -0.04 3.34 -2.44 1.57 0.00 -1.26 -4.29 120.64 117.51 1s76 n GLU 855 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 57.16 57.13 1s76 n GLU 855 Cb 0.00 0.00 0.01 0.00 0.00 0.00 0.00 31.44 31.45 1s76 n GLU 855 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.13 177.56 1s76 n SER 856 N 0.00 -2.34 0.00 4.31 7.64 -1.26 -3.86 113.62 118.11 1s76 n SER 856 Ca 0.00 -0.10 0.00 0.00 1.01 0.00 0.00 58.87 59.78 1s76 n SER 856 Cb 0.00 -1.28 0.00 0.00 -1.01 0.00 0.00 64.21 61.92 1s76 n SER 856 CO 0.00 0.00 0.00 1.67 -3.01 0.00 0.00 175.04 173.70 1s76 n GLN 857 N -1.42 0.00 -1.41 1.43 7.27 -1.26 -4.92 117.38 117.07 1s76 n GLN 857 Ca -0.03 0.00 -0.55 0.00 0.07 0.00 0.00 57.00 56.49 1s76 n GLN 857 Cb 0.52 0.00 -0.09 0.00 2.41 0.00 0.00 30.24 33.08 1s76 n GLN 857 CO 0.00 0.00 0.00 1.28 0.07 0.00 0.00 177.06 178.41 1s76 n LEU 858 N 0.00 1.66 -1.35 1.69 4.77 -1.25 -4.70 117.00 117.83 1s76 n LEU 858 Ca 0.00 0.60 -0.02 0.00 -0.03 0.00 0.00 56.01 56.56 1s76 n LEU 858 Cb 0.00 -1.11 0.01 0.00 -2.33 0.00 0.00 43.42 39.99 1s76 n LEU 858 CO 0.00 -0.71 0.28 0.47 -1.33 0.00 0.00 177.39 176.09 1s76 n ASP 859 N 8.40 -0.50 -1.47 -1.43 9.92 -1.26 -4.56 116.55 125.65 1s76 n ASP 859 Ca 0.44 -1.16 0.09 0.00 -0.53 0.00 0.00 54.79 53.63 1s76 n ASP 859 Cb 0.12 0.20 0.32 0.00 -0.64 0.00 0.00 41.12 41.12 1s76 n ASP 859 CO 0.00 0.00 0.00 0.29 0.13 0.00 0.00 177.20 177.62 1s76 n LYS 860 N -0.32 3.44 -1.63 -1.24 4.76 -1.26 -4.93 118.16 116.98 1s76 n LYS 860 Ca -0.09 -2.58 -0.38 0.00 -2.87 0.00 0.00 58.31 52.39 1s76 n LYS 860 Cb 0.54 -1.83 -0.03 0.00 -1.84 0.00 0.00 35.03 31.88 1s76 n LYS 860 CO 0.00 0.00 0.00 1.41 -1.37 0.00 0.00 177.40 177.44 1s76 s MET 861 N -1.79 2.35 0.43 1.97 1.75 -1.26 -4.93 119.30 117.80 1s76 s MET 861 Ca 0.46 1.42 -0.23 0.00 -1.25 0.00 0.00 55.69 56.09 1s76 s MET 861 Cb 0.30 -4.52 -0.12 0.00 2.84 0.00 0.00 34.83 33.33 1s76 s MET 861 CO 0.23 -3.00 0.71 -2.30 -0.65 0.00 0.00 175.02 170.00 1s76 n PRO 862 N 8.98 0.81 -1.93 4.11 -0.02 -1.26 -4.89 135.00 140.79 1s76 n PRO 862 Ca 0.33 0.30 -0.35 0.00 -2.02 0.00 0.00 63.50 61.76 1s76 n PRO 862 Cb 0.53 -1.70 0.04 0.00 -0.02 0.00 0.00 33.50 32.35 1s76 n PRO 862 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1s76 s ALA 863 N -1.41 2.51 0.29 3.55 0.00 -1.26 -4.94 121.76 120.51 1s76 s ALA 863 Ca 0.64 0.79 -0.30 0.00 0.00 0.00 0.00 51.96 53.09 1s76 s ALA 863 Cb -0.58 -3.38 -0.13 0.00 0.00 0.00 0.00 23.12 19.03 1s76 s ALA 863 CO 0.57 -1.17 1.41 1.28 0.00 0.00 0.00 175.76 177.85 1s76 n LEU 864 N -1.91 3.61 -4.64 0.00 4.32 -1.26 -4.87 117.00 112.25 1s76 n LEU 864 Ca 0.12 1.17 -0.40 0.00 -0.02 0.00 0.00 56.01 56.88 1s76 n LEU 864 Cb 0.51 -1.49 0.02 0.00 -1.62 0.00 0.00 43.42 40.84 1s76 n LEU 864 CO 0.45 -0.32 0.67 -0.81 -1.22 0.00 0.00 177.39 176.16 1s76 n PRO 865 N 1.46 1.43 -2.20 3.23 -0.04 -1.26 -4.92 135.00 132.69 1s76 n PRO 865 Ca 0.08 0.52 -0.41 0.00 -0.04 0.00 0.00 63.50 63.65 1s76 n PRO 865 Cb 0.35 -2.18 -0.03 0.00 -0.04 0.00 0.00 33.50 31.60 1s76 n PRO 865 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1s76 s ALA 866 N -1.30 3.50 0.48 0.55 0.00 -1.26 -4.99 121.76 118.75 1s76 s ALA 866 Ca 0.65 1.15 -0.22 0.00 0.00 0.00 0.00 51.96 53.55 1s76 s ALA 866 Cb -0.51 -3.46 -0.07 0.00 0.00 0.00 0.00 23.12 19.08 1s76 s ALA 866 CO 0.55 -0.53 1.14 0.15 0.00 0.00 0.00 175.76 177.06 1s76 s LYS 867 N -1.01 3.66 0.09 0.00 -0.14 -1.26 -4.97 119.74 116.11 1s76 s LYS 867 Ca 0.52 1.67 -0.01 0.00 -1.36 0.00 0.00 55.97 56.79 1s76 s LYS 867 Cb -0.37 -2.26 0.02 0.00 -1.68 0.00 0.00 37.83 33.53 1s76 s LYS 867 CO 0.45 -0.61 0.13 0.41 -0.76 0.00 0.00 175.35 174.96 1s76 n GLY 868 N 0.30 -0.41 1.10 -3.33 0.00 0.38 -4.98 105.19 98.25 1s76 n GLY 868 Ca 0.09 -1.79 0.10 0.00 0.00 0.00 0.00 46.02 44.42 1s76 n GLY 868 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1s76 n ASN 869 N -3.05 3.50 -4.73 1.61 3.02 -0.98 -4.81 115.26 109.82 1s76 n ASN 869 Ca 0.02 -1.97 -0.42 0.00 -0.03 0.00 0.00 54.58 52.18 1s76 n ASN 869 Cb 0.06 -0.34 -0.02 0.00 -0.61 0.00 0.00 39.78 38.86 1s76 n ASN 869 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 1s76 s LEU 870 N -1.13 4.37 -0.86 3.41 2.96 0.51 -4.91 118.68 123.02 1s76 s LEU 870 Ca 0.39 2.73 -0.15 0.00 -0.22 0.00 0.00 54.13 56.87 1s76 s LEU 870 Cb 0.21 -3.61 0.20 0.00 0.50 0.00 0.00 46.19 43.48 1s76 s LEU 870 CO 0.28 -0.82 0.88 0.21 -1.32 0.00 0.00 176.35 175.58 1s76 s ASN 871 N 0.74 6.75 0.29 3.68 3.04 -1.26 -4.86 114.94 123.31 1s76 s ASN 871 Ca 0.65 -2.55 0.01 0.00 0.04 0.00 0.00 52.86 51.01 1s76 s ASN 871 Cb -0.45 -2.26 0.68 0.00 -1.54 0.00 0.00 41.25 37.68 1s76 s ASN 871 CO 0.39 -0.70 1.46 0.18 -3.04 0.00 0.00 177.10 175.39 1s76 n LEU 872 N 4.63 -0.14 0.32 3.21 4.77 -1.26 0.57 117.00 129.11 1s76 n LEU 872 Ca 0.17 1.59 0.11 0.00 -0.03 0.00 0.00 56.01 57.85 1s76 n LEU 872 Cb 0.47 -0.57 0.59 0.00 -2.33 0.00 0.00 43.42 41.59 1s76 n LEU 872 CO 0.38 -1.60 1.06 0.03 -1.33 0.00 0.00 177.39 175.94 1s76 h ARG 873 N 0.00 0.00 -0.19 3.23 2.47 -1.93 0.13 114.38 118.09 1s76 h ARG 873 Ca 0.55 0.00 -0.08 0.00 -1.26 0.00 0.00 59.98 59.19 1s76 h ARG 873 Cb 1.11 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 29.41 1s76 h ARG 873 CO -0.89 0.00 -0.23 -0.44 0.56 0.00 0.00 179.97 178.97 1s76 h ASP 874 N 0.00 0.35 -1.16 7.04 3.45 -0.17 -2.76 116.42 123.17 1s76 h ASP 874 Ca 0.00 -0.10 0.33 0.00 0.43 0.00 0.00 57.03 57.69 1s76 h ASP 874 Cb 0.96 -0.09 -0.06 0.00 -0.56 0.00 0.00 39.33 39.57 1s76 h ASP 874 CO 0.00 0.58 0.81 0.40 -1.57 0.00 0.00 179.24 179.46 1s76 h ILE 875 N 0.32 0.42 0.00 0.35 2.04 -0.82 1.51 117.51 121.33 1s76 h ILE 875 Ca 0.05 -0.04 -0.03 0.00 1.00 0.00 0.00 64.86 65.85 1s76 h ILE 875 Cb 0.58 0.31 -0.00 0.00 -0.74 0.00 0.00 36.82 36.97 1s76 h ILE 875 CO 0.04 0.02 -0.12 -0.07 0.00 0.00 0.00 178.15 178.02 1s76 h LEU 876 N 0.11 0.00 -1.03 1.44 3.38 -1.67 -1.58 115.31 115.95 1s76 h LEU 876 Ca 0.58 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.55 1s76 h LEU 876 Cb 2.09 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.84 1s76 h LEU 876 CO -0.10 0.12 -0.43 -0.62 0.09 0.00 0.00 178.44 177.50 1s76 n GLU 877 N -4.09 1.26 -2.62 1.13 -0.58 0.51 -4.91 120.64 111.34 1s76 n GLU 877 Ca -0.02 -1.03 -0.43 0.00 -0.42 0.00 0.00 57.16 55.26 1s76 n GLU 877 Cb 0.20 -1.48 -0.02 0.00 -0.57 0.00 0.00 31.44 29.57 1s76 n GLU 877 CO 0.00 0.00 0.00 0.45 -0.48 0.00 0.00 177.13 177.10 1s76 s SER 878 N -2.45 7.08 0.12 1.62 0.15 -0.60 -4.33 113.70 115.30 1s76 s SER 878 Ca 0.20 1.45 0.05 0.00 0.70 0.00 0.00 55.95 58.34 1s76 s SER 878 Cb 0.18 -2.54 -0.18 0.00 -1.71 0.00 0.00 66.02 61.77 1s76 s SER 878 CO 0.55 -0.67 1.28 0.44 1.20 0.00 0.00 173.24 176.04 1s76 h ASP 879 N 7.55 0.09 0.23 5.45 3.45 -1.86 -3.34 116.42 127.99 1s76 h ASP 879 Ca -0.21 -0.09 0.00 0.00 0.43 0.00 0.00 57.03 57.16 1s76 h ASP 879 Cb 1.07 -0.03 0.00 0.00 -0.56 0.00 0.00 39.33 39.82 1s76 h ASP 879 CO 0.97 1.04 -0.60 0.49 -1.57 0.00 0.00 179.24 179.56 1s76 n PHE 880 N -3.43 0.00 0.35 4.55 3.72 -1.26 -4.40 117.46 116.99 1s76 n PHE 880 Ca -0.02 0.00 -0.17 0.00 -0.05 0.00 0.00 57.45 57.21 1s76 n PHE 880 Cb 0.93 -0.12 -0.09 0.00 -0.94 0.00 0.00 39.48 39.26 1s76 n PHE 880 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1s76 h ALA 881 N 3.24 -0.84 -0.47 4.37 0.00 -1.67 -3.41 119.26 120.49 1s76 h ALA 881 Ca 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.72 1s76 h ALA 881 Cb 0.54 0.32 0.00 0.00 0.00 0.00 0.00 17.79 18.65 1s76 h ALA 881 CO 0.00 -0.97 0.00 1.19 0.00 0.00 0.00 179.25 179.47 1s76 n PHE 882 N -5.45 0.00 0.34 0.00 0.99 -1.26 -3.63 117.46 108.45 1s76 n PHE 882 Ca -0.13 0.00 0.03 0.00 -0.00 0.00 0.00 57.45 57.35 1s76 n PHE 882 Cb 0.34 0.00 0.16 0.00 -1.00 0.00 0.00 39.48 38.98 1s76 n PHE 882 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76