#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1aro n ASN 9 N 0.00 0.00 -0.17 4.39 3.02 -1.26 -5.05 115.26 116.19 1aro n ASN 9 Ca 0.00 0.00 0.16 0.00 -0.03 0.00 0.00 54.58 54.71 1aro n ASN 9 Cb 0.00 0.00 0.29 0.00 -0.61 0.00 0.00 39.78 39.46 1aro n ASN 9 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 1aro n ASP 10 N 0.00 0.15 -4.62 6.41 8.00 -1.26 -4.48 116.55 120.75 1aro n ASP 10 Ca 0.00 0.75 -0.25 0.00 0.71 0.00 0.00 54.79 56.00 1aro n ASP 10 Cb 0.00 -0.37 -0.08 0.00 -0.02 0.00 0.00 41.12 40.65 1aro n ASP 10 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 1aro s PHE 11 N -4.63 2.70 1.12 1.24 0.08 -1.26 -5.11 117.98 112.11 1aro s PHE 11 Ca -0.04 -0.21 -0.13 0.00 0.12 0.00 0.00 56.93 56.68 1aro s PHE 11 Cb 0.16 -1.26 0.24 0.00 -0.57 0.00 0.00 43.02 41.59 1aro s PHE 11 CO 0.38 0.57 0.96 -1.13 -0.10 0.00 0.00 175.22 175.89 1aro n SER 12 N -0.43 -1.36 -0.24 1.36 3.41 -1.26 -4.75 113.62 110.35 1aro n SER 12 Ca -0.08 -0.02 0.00 0.00 -0.26 0.00 0.00 58.87 58.50 1aro n SER 12 Cb 0.57 -1.28 0.00 0.00 -0.26 0.00 0.00 64.21 63.24 1aro n SER 12 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 1aro n ASP 13 N -4.49 0.25 0.00 4.04 8.00 -1.26 -2.43 116.55 120.66 1aro n ASP 13 Ca 0.05 -1.07 -0.02 0.00 0.71 0.00 0.00 54.79 54.46 1aro n ASP 13 Cb 0.54 -0.13 -0.01 0.00 -0.02 0.00 0.00 41.12 41.51 1aro n ASP 13 CO 0.00 0.00 0.00 -0.38 -0.39 0.00 0.00 177.20 176.43 1aro n ILE 14 N -0.15 0.53 -0.30 0.53 5.41 -1.26 -4.10 119.36 120.02 1aro n ILE 14 Ca 0.00 0.11 0.12 0.00 1.00 0.00 0.00 62.75 63.99 1aro n ILE 14 Cb 0.06 -1.58 0.29 0.00 -0.71 0.00 0.00 39.64 37.71 1aro n ILE 14 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 176.55 176.22 1aro h GLU 15 N -0.09 0.38 -0.25 0.38 5.08 -1.89 0.75 114.58 118.94 1aro h GLU 15 Ca -0.04 -0.02 0.03 0.00 -1.00 0.00 0.00 59.36 58.33 1aro h GLU 15 Cb 0.72 -0.08 -0.03 0.00 0.50 0.00 0.00 28.75 29.85 1aro h GLU 15 CO -0.03 0.25 0.06 -0.07 -1.00 0.00 0.00 179.01 178.23 1aro h LEU 16 N 0.39 0.05 0.00 1.33 3.38 -1.73 0.65 115.31 119.37 1aro h LEU 16 Ca 0.55 0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.55 1aro h LEU 16 Cb 1.02 0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.81 1aro h LEU 16 CO -0.53 0.06 0.00 0.00 0.09 0.00 0.00 178.44 178.06 1aro n ALA 17 N -2.29 2.04 -0.05 1.53 0.00 0.24 -3.76 120.51 118.21 1aro n ALA 17 Ca -0.01 -0.07 0.00 0.00 0.00 0.00 0.00 53.44 53.36 1aro n ALA 17 Cb 0.10 -1.17 0.00 0.00 0.00 0.00 0.00 19.45 18.38 1aro n ALA 17 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1aro n ALA 18 N -0.85 0.12 -0.24 0.00 0.00 0.21 -4.50 120.51 115.26 1aro n ALA 18 Ca 0.08 -0.23 -0.06 0.00 0.00 0.00 0.00 53.44 53.23 1aro n ALA 18 Cb 0.04 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.43 1aro n ALA 18 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 1aro n ILE 19 N -2.45 -0.39 -0.11 0.00 -0.00 -0.48 -0.96 119.36 114.96 1aro n ILE 19 Ca 0.00 1.42 -0.14 0.00 -0.00 0.00 0.00 62.75 64.03 1aro n ILE 19 Cb 0.00 -1.76 -0.09 0.00 -0.00 0.00 0.00 39.64 37.79 1aro n ILE 19 CO 0.00 0.00 0.00 1.55 -0.00 0.00 0.00 176.55 178.10 1aro h PRO 20 N 0.00 -0.41 -0.31 0.38 0.13 -1.86 0.21 132.00 130.15 1aro h PRO 20 Ca 0.10 0.03 0.03 0.00 -0.87 0.00 0.00 66.00 65.29 1aro h PRO 20 Cb 0.25 0.09 -0.03 0.00 0.13 0.00 0.00 31.00 31.44 1aro h PRO 20 CO -0.55 -0.27 0.12 0.35 -0.23 0.00 0.00 178.00 177.42 1aro h PHE 21 N -0.43 0.22 0.00 1.56 3.57 -1.33 -0.64 116.94 119.90 1aro h PHE 21 Ca 0.07 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.59 1aro h PHE 21 Cb 0.61 -0.06 0.00 0.00 2.79 0.00 0.00 35.95 39.30 1aro h PHE 21 CO -0.69 0.11 0.00 0.09 -2.23 0.00 0.00 178.31 175.59 1aro n ASN 22 N -5.00 0.10 -0.10 0.41 3.02 -0.35 -0.44 115.26 112.90 1aro n ASN 22 Ca -0.00 0.53 -0.16 0.00 -0.03 0.00 0.00 54.58 54.92 1aro n ASN 22 Cb 0.10 -0.55 -0.13 0.00 -0.61 0.00 0.00 39.78 38.59 1aro n ASN 22 CO 0.00 0.00 0.00 0.41 -2.62 0.00 0.00 177.26 175.05 1aro n THR 23 N -1.62 1.51 0.17 3.41 -1.04 0.68 -3.18 114.28 114.21 1aro n THR 23 Ca 0.02 -0.66 0.02 0.00 -2.04 0.00 0.00 64.05 61.39 1aro n THR 23 Cb 0.13 -1.21 0.31 0.00 -1.82 0.00 0.00 70.33 67.74 1aro n THR 23 CO 0.00 0.00 0.00 -0.07 -0.64 0.00 0.00 175.07 174.36 1aro h LEU 24 N 0.01 0.00 0.10 -4.42 3.38 -0.68 0.46 115.31 114.16 1aro h LEU 24 Ca -0.54 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.42 1aro h LEU 24 Cb 2.01 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.76 1aro h LEU 24 CO -0.03 0.44 -0.05 0.00 0.09 0.00 0.00 178.44 178.89 1aro h ALA 25 N 1.56 -0.14 -0.07 1.53 0.00 -0.92 -2.01 119.26 119.21 1aro h ALA 25 Ca -0.00 -0.26 0.02 0.00 0.00 0.00 0.00 54.91 54.66 1aro h ALA 25 Cb 0.79 0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.63 1aro h ALA 25 CO 0.06 -0.24 0.06 0.22 0.00 0.00 0.00 179.25 179.35 1aro h ASP 26 N -0.81 0.00 0.00 0.00 1.82 -1.50 -3.08 116.42 112.85 1aro h ASP 26 Ca -0.01 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.63 1aro h ASP 26 Cb 0.57 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.58 1aro h ASP 26 CO 0.02 0.00 0.00 1.41 -1.61 0.00 0.00 179.24 179.06 1aro n HIS 27 N -4.17 0.00 0.14 0.28 8.25 0.15 -4.71 115.22 115.16 1aro n HIS 27 Ca -0.01 0.00 -0.00 0.00 -0.26 0.00 0.00 57.72 57.44 1aro n HIS 27 Cb 0.16 0.00 0.19 0.00 1.12 0.00 0.00 29.99 31.47 1aro n HIS 27 CO 0.00 0.00 0.00 -0.92 0.64 0.00 0.00 176.34 176.06 1aro h TYR 28 N 0.00 0.00 0.00 4.41 3.20 -1.55 -3.49 116.97 119.53 1aro h TYR 28 Ca 0.00 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.87 1aro h TYR 28 Cb 0.00 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.27 1aro h TYR 28 CO 0.00 0.59 0.00 0.41 -1.64 0.00 0.00 178.16 177.52 1aro n GLY 29 N 0.24 4.12 0.23 1.82 0.00 -1.13 -4.96 105.19 105.51 1aro n GLY 29 Ca -0.01 -1.48 0.08 0.00 0.00 0.00 0.00 46.02 44.61 1aro n GLY 29 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1aro h GLU 30 N 0.00 0.00 -0.32 1.61 4.81 -1.82 -2.27 114.58 116.59 1aro h GLU 30 Ca 0.00 0.00 -0.12 0.00 -0.13 0.00 0.00 59.36 59.11 1aro h GLU 30 Cb 0.00 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.37 1aro h GLU 30 CO 0.00 0.21 -0.28 0.00 -0.73 0.00 0.00 179.01 178.21 1aro h ARG 31 N 0.00 0.75 -0.12 1.92 3.08 -1.95 -3.26 114.38 114.80 1aro h ARG 31 Ca -0.00 -0.38 -0.16 0.00 0.07 0.00 0.00 59.98 59.50 1aro h ARG 31 Cb 0.45 0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.50 1aro h ARG 31 CO 0.03 1.01 -0.63 -0.07 -1.07 0.00 0.00 179.97 179.24 1aro h LEU 32 N 0.51 0.48 -2.05 3.04 3.38 -1.91 -2.90 115.31 115.87 1aro h LEU 32 Ca 0.05 -0.28 0.06 0.00 0.09 0.00 0.00 57.88 57.81 1aro h LEU 32 Cb 0.85 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.46 1aro h LEU 32 CO 0.07 0.98 0.17 0.00 0.09 0.00 0.00 178.44 179.75 1aro h ALA 33 N 1.02 2.15 0.00 1.53 0.00 -1.45 0.11 119.26 122.62 1aro h ALA 33 Ca -0.01 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1aro h ALA 33 Cb 1.17 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.97 1aro h ALA 33 CO 0.11 -0.28 -1.03 -2.13 0.00 0.00 0.00 179.25 175.91 1aro n ARG 34 N -4.36 0.58 0.09 0.00 3.00 -1.17 -3.72 116.66 111.08 1aro n ARG 34 Ca 0.02 0.10 -0.02 0.00 -0.00 0.00 0.00 57.85 57.96 1aro n ARG 34 Cb 0.31 -1.80 -0.05 0.00 0.00 0.00 0.00 32.46 30.93 1aro n ARG 34 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.63 179.12 1aro h GLU 35 N 0.00 0.00 0.37 -0.14 4.81 -0.63 -2.78 114.58 116.21 1aro h GLU 35 Ca 0.00 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.21 1aro h GLU 35 Cb 0.98 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.36 1aro h GLU 35 CO 0.00 0.64 -0.18 0.37 -0.73 0.00 0.00 179.01 179.11 1aro h GLN 36 N 0.00 -0.49 -0.34 1.92 5.75 -1.31 -2.89 115.11 117.76 1aro h GLN 36 Ca -0.04 0.03 0.03 0.00 -0.15 0.00 0.00 58.65 58.52 1aro h GLN 36 Cb 1.58 0.11 -0.03 0.00 1.07 0.00 0.00 27.48 30.20 1aro h GLN 36 CO 0.09 -0.32 0.14 -0.07 -2.65 0.00 0.00 178.83 176.01 1aro h LEU 37 N -0.85 0.18 -0.61 -2.39 3.38 -1.72 0.26 115.31 113.57 1aro h LEU 37 Ca -0.05 0.03 0.11 0.00 0.09 0.00 0.00 57.88 58.06 1aro h LEU 37 Cb 0.39 -0.00 -0.12 0.00 0.09 0.00 0.00 40.66 41.02 1aro h LEU 37 CO 0.08 0.14 -0.30 0.00 0.09 0.00 0.00 178.44 178.46 1aro h ALA 38 N 1.20 0.06 -0.52 1.53 0.00 -1.62 0.26 119.26 120.17 1aro h ALA 38 Ca 0.15 0.18 0.04 0.00 0.00 0.00 0.00 54.91 55.28 1aro h ALA 38 Cb 0.10 0.72 -0.04 0.00 0.00 0.00 0.00 17.79 18.57 1aro h ALA 38 CO -0.13 -0.62 0.28 1.25 0.00 0.00 0.00 179.25 180.02 1aro h LEU 39 N -0.13 0.41 -0.94 0.00 5.85 -1.19 -2.60 115.31 116.71 1aro h LEU 39 Ca 0.25 0.02 -0.04 0.00 0.84 0.00 0.00 57.88 58.95 1aro h LEU 39 Cb 0.54 -0.06 -0.03 0.00 0.37 0.00 0.00 40.66 41.48 1aro h LEU 39 CO -0.68 0.28 0.27 -0.33 -0.34 0.00 0.00 178.44 177.64 1aro h GLU 40 N 0.54 1.03 0.00 1.25 5.08 0.13 -1.53 114.58 121.09 1aro h GLU 40 Ca 0.23 -0.18 0.00 0.00 -1.00 0.00 0.00 59.36 58.40 1aro h GLU 40 Cb 0.11 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 29.19 1aro h GLU 40 CO -0.14 0.85 0.00 0.72 -1.00 0.00 0.00 179.01 179.44 1aro n HIS 41 N -4.29 0.56 0.29 4.33 8.25 0.66 -2.43 115.22 122.58 1aro n HIS 41 Ca 0.06 0.23 0.03 0.00 -0.26 0.00 0.00 57.72 57.79 1aro n HIS 41 Cb 0.18 -0.87 0.16 0.00 1.12 0.00 0.00 29.99 30.58 1aro n HIS 41 CO 0.00 0.00 0.00 0.39 0.64 0.00 0.00 176.34 177.37 1aro n GLU 42 N -2.02 0.07 0.09 -0.41 1.02 -0.57 -2.03 120.64 116.78 1aro n GLU 42 Ca 0.02 0.27 -0.05 0.00 -0.02 0.00 0.00 57.16 57.38 1aro n GLU 42 Cb 0.18 -1.50 -0.03 0.00 -0.02 0.00 0.00 31.44 30.07 1aro n GLU 42 CO 0.00 0.00 0.00 0.77 1.18 0.00 0.00 177.13 179.08 1aro h SER 43 N 0.00 0.00 0.00 1.62 0.02 -1.66 -3.39 113.55 110.14 1aro h SER 43 Ca 0.00 0.00 -0.34 0.00 -0.84 0.00 0.00 61.79 60.61 1aro h SER 43 Cb 0.08 0.00 -0.06 0.00 0.14 0.00 0.00 62.40 62.56 1aro h SER 43 CO 0.00 0.87 -2.23 -1.22 -1.14 0.00 0.00 176.83 173.11 1aro n TYR 44 N -3.47 0.00 -3.92 3.45 4.02 -0.86 -4.78 117.16 111.60 1aro n TYR 44 Ca -0.00 0.00 -0.10 0.00 -0.01 0.00 0.00 57.90 57.78 1aro n TYR 44 Cb 0.84 -0.82 -0.12 0.00 -0.02 0.00 0.00 39.34 39.22 1aro n TYR 44 CO 0.00 0.00 0.00 -2.00 -1.01 0.00 0.00 176.86 173.85 1aro s GLU 45 N -2.42 0.20 0.00 -0.72 2.12 -1.09 -4.08 118.70 112.71 1aro s GLU 45 Ca -0.30 -0.31 0.00 0.00 0.36 0.00 0.00 54.97 54.72 1aro s GLU 45 Cb 0.09 0.07 0.00 0.00 0.26 0.00 0.00 34.13 34.55 1aro s GLU 45 CO 0.46 -0.03 0.17 -0.12 -0.54 0.00 0.00 175.26 175.20 1aro n MET 46 N 2.23 0.00 0.00 4.30 0.00 -1.26 -4.17 117.12 118.22 1aro n MET 46 Ca -0.19 0.00 0.00 0.00 -0.00 0.00 0.00 57.70 57.51 1aro n MET 46 Cb 0.57 -0.60 0.00 0.00 0.00 0.00 0.00 33.22 33.19 1aro n MET 46 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 1aro n GLY 47 N 1.26 4.21 0.13 -5.12 0.00 -1.26 -4.84 105.19 99.57 1aro n GLY 47 Ca 0.00 -1.02 -0.01 0.00 0.00 0.00 0.00 46.02 44.99 1aro n GLY 47 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1aro h GLU 48 N 0.00 0.00 0.00 1.61 5.08 -1.98 -2.65 114.58 116.64 1aro h GLU 48 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1aro h GLU 48 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 1aro h GLU 48 CO 0.00 0.65 0.00 0.00 -1.00 0.00 0.00 179.01 178.66 1aro n ALA 49 N -2.35 -0.18 -0.48 3.43 0.00 -1.26 -1.20 120.51 118.46 1aro n ALA 49 Ca -0.00 0.00 0.40 0.00 0.00 0.00 0.00 53.44 53.84 1aro n ALA 49 Cb 0.69 0.00 0.73 0.00 0.00 0.00 0.00 19.45 20.87 1aro n ALA 49 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 1aro h ARG 50 N 0.00 0.06 0.07 0.00 2.43 -1.91 -0.47 114.38 114.56 1aro h ARG 50 Ca 0.00 -0.00 -0.15 0.00 -0.81 0.00 0.00 59.98 59.01 1aro h ARG 50 Cb 0.00 -0.01 0.02 0.00 -0.42 0.00 0.00 29.97 29.55 1aro h ARG 50 CO 0.00 0.04 -0.65 0.35 -1.51 0.00 0.00 179.97 178.20 1aro h PHE 51 N 0.06 0.52 -0.20 2.20 3.57 -1.49 -3.14 116.94 118.46 1aro h PHE 51 Ca 0.75 -0.33 -0.04 0.00 3.53 0.00 0.00 57.97 61.88 1aro h PHE 51 Cb 2.75 -0.04 -0.01 0.00 2.79 0.00 0.00 35.95 41.45 1aro h PHE 51 CO -0.00 1.20 -0.01 0.00 -2.23 0.00 0.00 178.31 177.26 1aro h ARG 52 N -0.31 0.37 0.00 1.11 3.08 0.36 0.34 114.38 119.33 1aro h ARG 52 Ca -0.10 -0.13 0.00 0.00 0.07 0.00 0.00 59.98 59.82 1aro h ARG 52 Cb 1.43 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 31.45 1aro h ARG 52 CO 0.12 0.58 0.00 1.63 -1.07 0.00 0.00 179.97 181.24 1aro n LYS 53 N -4.67 0.16 -0.12 0.04 5.02 -0.70 -1.68 118.16 116.21 1aro n LYS 53 Ca -0.04 0.18 -0.24 0.00 -2.02 0.00 0.00 58.31 56.19 1aro n LYS 53 Cb 0.25 -1.50 -0.09 0.00 -0.02 0.00 0.00 35.03 33.67 1aro n LYS 53 CO 0.00 0.00 0.00 -0.12 -0.52 0.00 0.00 177.40 176.76 1aro n MET 54 N -1.30 0.52 0.42 1.97 1.56 -0.92 -3.95 117.12 115.42 1aro n MET 54 Ca 0.05 0.21 -0.19 0.00 -0.27 0.00 0.00 57.70 57.50 1aro n MET 54 Cb 0.10 -1.37 -0.10 0.00 2.15 0.00 0.00 33.22 34.00 1aro n MET 54 CO 0.00 0.00 0.00 0.35 -0.73 0.00 0.00 175.97 175.59 1aro h PHE 55 N -0.70 -1.18 0.54 1.12 3.57 -0.15 -3.23 116.94 116.91 1aro h PHE 55 Ca -0.59 -0.02 -0.02 0.00 3.53 0.00 0.00 57.97 60.88 1aro h PHE 55 Cb 1.58 0.41 -0.01 0.00 2.79 0.00 0.00 35.95 40.72 1aro h PHE 55 CO -0.06 -0.68 -0.36 0.93 -2.23 0.00 0.00 178.31 175.91 1aro h GLU 56 N -1.14 -0.83 0.00 1.11 5.08 -1.56 -2.88 114.58 114.37 1aro h GLU 56 Ca -0.10 0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.31 1aro h GLU 56 Cb 0.90 0.19 0.00 0.00 0.50 0.00 0.00 28.75 30.34 1aro h GLU 56 CO 0.12 -0.55 0.69 -0.09 -1.00 0.00 0.00 179.01 178.19 1aro h ARG 57 N -0.86 0.00 -1.10 2.33 2.43 -1.68 1.42 114.38 116.92 1aro h ARG 57 Ca -0.06 0.00 -0.44 0.00 -0.81 0.00 0.00 59.98 58.67 1aro h ARG 57 Cb 0.71 0.00 -0.41 0.00 -0.42 0.00 0.00 29.97 29.85 1aro h ARG 57 CO 0.05 0.00 -1.01 0.94 -1.51 0.00 0.00 179.97 178.44 1aro n GLN 58 N -2.26 2.13 -1.71 0.20 7.27 -1.09 -5.07 117.38 116.84 1aro n GLN 58 Ca -0.00 -3.76 -0.32 0.00 0.07 0.00 0.00 57.00 52.98 1aro n GLN 58 Cb 0.71 -1.68 -0.02 0.00 2.41 0.00 0.00 30.24 31.65 1aro n GLN 58 CO 0.00 0.00 0.00 1.28 0.07 0.00 0.00 177.06 178.41 1aro n LEU 59 N -0.30 6.96 -0.50 1.69 4.77 0.49 -5.13 117.00 124.98 1aro n LEU 59 Ca 0.21 -4.42 0.06 0.00 -0.03 0.00 0.00 56.01 51.83 1aro n LEU 59 Cb 0.77 -1.21 0.08 0.00 -2.33 0.00 0.00 43.42 40.73 1aro n LEU 59 CO 0.28 1.80 0.48 -0.11 -1.33 0.00 0.00 177.39 178.51 1aro n LEU 73 N 0.60 2.21 -0.03 2.23 -0.00 -1.26 -5.17 117.00 115.57 1aro n LEU 73 Ca 0.52 -1.28 0.01 0.00 -0.00 0.00 0.00 56.01 55.26 1aro n LEU 73 Cb 0.42 -0.06 0.02 0.00 -0.00 0.00 0.00 43.42 43.79 1aro n LEU 73 CO 0.42 0.47 0.44 2.30 -0.00 0.00 0.00 177.39 181.02 1aro n ILE 74 N 0.60 0.81 1.44 1.96 -6.64 -1.26 -3.38 119.36 112.88 1aro n ILE 74 Ca 0.08 -0.85 0.13 0.00 -1.77 0.00 0.00 62.75 60.34 1aro n ILE 74 Cb 0.32 0.54 0.49 0.00 -1.44 0.00 0.00 39.64 39.56 1aro n ILE 74 CO 0.00 0.00 0.00 0.35 -1.77 0.00 0.00 176.55 175.13 1aro n THR 75 N -0.46 0.08 -0.04 7.28 -2.24 -1.26 -3.72 114.28 113.93 1aro n THR 75 Ca 0.02 -0.27 -0.06 0.00 -2.27 0.00 0.00 64.05 61.47 1aro n THR 75 Cb 0.37 0.37 -0.02 0.00 -2.10 0.00 0.00 70.33 68.95 1aro n THR 75 CO 0.00 0.00 0.00 0.41 -0.57 0.00 0.00 175.07 174.91 1aro n THR 76 N 0.13 1.38 0.11 4.28 -1.04 -1.26 -4.50 114.28 113.38 1aro n THR 76 Ca 0.18 0.22 0.02 0.00 -2.04 0.00 0.00 64.05 62.43 1aro n THR 76 Cb 0.32 -2.04 0.36 0.00 -1.82 0.00 0.00 70.33 67.15 1aro n THR 76 CO 0.00 0.00 0.00 -0.07 -0.64 0.00 0.00 175.07 174.36 1aro h LEU 77 N -0.61 0.23 -0.14 -4.42 3.38 -1.77 -2.90 115.31 109.07 1aro h LEU 77 Ca -0.02 -0.06 -0.10 0.00 0.09 0.00 0.00 57.88 57.80 1aro h LEU 77 Cb 0.65 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.34 1aro h LEU 77 CO -0.01 0.43 -0.28 0.25 0.09 0.00 0.00 178.44 178.92 1aro h LEU 78 N 0.23 0.50 -0.05 1.67 5.85 -1.84 -2.30 115.31 119.37 1aro h LEU 78 Ca 0.04 -0.55 -0.00 0.00 0.84 0.00 0.00 57.88 58.20 1aro h LEU 78 Cb 0.46 -0.14 -0.00 0.00 0.37 0.00 0.00 40.66 41.34 1aro h LEU 78 CO 0.03 0.96 0.01 -0.65 -0.34 0.00 0.00 178.44 178.45 1aro h PRO 79 N 0.05 0.08 -0.37 5.25 0.11 -1.78 -1.89 132.00 133.45 1aro h PRO 79 Ca 0.01 -0.02 -0.04 0.00 0.11 0.00 0.00 66.00 66.05 1aro h PRO 79 Cb 0.88 -0.01 -0.02 0.00 0.11 0.00 0.00 31.00 31.96 1aro h PRO 79 CO 0.06 0.27 0.04 0.87 -0.21 0.00 0.00 178.00 179.03 1aro h LYS 80 N -0.13 0.56 -0.09 1.05 1.57 -1.62 -2.79 116.57 115.12 1aro h LYS 80 Ca 0.02 -0.11 -0.10 0.00 -1.87 0.00 0.00 60.65 58.59 1aro h LYS 80 Cb 0.23 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 32.46 1aro h LYS 80 CO -0.00 0.56 -0.32 1.98 -0.57 0.00 0.00 179.45 181.09 1aro h MET 81 N 0.54 0.37 -0.01 3.15 4.05 -1.29 -2.81 114.93 118.94 1aro h MET 81 Ca 0.12 -0.29 0.00 0.00 -0.28 0.00 0.00 59.70 59.26 1aro h MET 81 Cb 0.29 0.05 -0.00 0.00 -0.80 0.00 0.00 31.60 31.14 1aro h MET 81 CO 0.01 0.92 0.01 0.82 0.23 0.00 0.00 176.91 178.89 1aro h ILE 82 N -0.09 0.81 0.00 1.77 2.04 -1.32 -1.63 117.51 119.09 1aro h ILE 82 Ca -0.02 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.84 1aro h ILE 82 Cb 0.96 0.99 0.00 0.00 -0.74 0.00 0.00 36.82 38.03 1aro h ILE 82 CO 0.07 0.00 0.00 0.00 0.00 0.00 0.00 178.15 178.22 1aro n ALA 83 N -2.45 -0.08 -0.29 1.87 0.00 -1.06 -2.12 120.51 116.38 1aro n ALA 83 Ca -0.03 0.00 0.15 0.00 0.00 0.00 0.00 53.44 53.56 1aro n ALA 83 Cb 0.10 0.00 0.29 0.00 0.00 0.00 0.00 19.45 19.84 1aro n ALA 83 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1aro n ARG 84 N -0.77 -0.06 0.32 0.00 5.12 -1.08 0.40 116.66 120.59 1aro n ARG 84 Ca 0.00 1.25 0.21 0.00 -1.93 0.00 0.00 57.85 57.38 1aro n ARG 84 Cb 0.00 -2.03 1.10 0.00 -1.16 0.00 0.00 32.46 30.37 1aro n ARG 84 CO 0.00 0.00 0.00 0.82 -1.93 0.00 0.00 177.63 176.52 1aro h ILE 85 N 0.00 0.11 0.04 0.55 2.04 -1.27 0.12 117.51 119.10 1aro h ILE 85 Ca 0.55 -0.08 -0.37 0.00 1.00 0.00 0.00 64.86 65.96 1aro h ILE 85 Cb 1.20 1.07 -0.05 0.00 -0.74 0.00 0.00 36.82 38.30 1aro h ILE 85 CO -0.77 0.01 -2.23 0.59 0.00 0.00 0.00 178.15 175.74 1aro n ASN 86 N -3.23 1.67 0.30 1.72 3.02 1.31 -2.96 115.26 117.09 1aro n ASN 86 Ca -0.03 0.05 -0.17 0.00 -0.03 0.00 0.00 54.58 54.41 1aro n ASN 86 Cb 0.10 -0.35 -0.09 0.00 -0.61 0.00 0.00 39.78 38.84 1aro n ASN 86 CO 0.00 0.00 0.00 0.44 -2.62 0.00 0.00 177.26 175.08 1aro h ASP 87 N 0.02 -0.60 -0.75 6.41 5.19 -0.67 -2.88 116.42 123.14 1aro h ASP 87 Ca -0.50 0.01 0.01 0.00 -0.62 0.00 0.00 57.03 55.93 1aro h ASP 87 Cb 2.00 0.15 -0.04 0.00 0.18 0.00 0.00 39.33 41.63 1aro h ASP 87 CO 0.00 -0.41 0.49 -0.25 -3.12 0.00 0.00 179.24 175.95 1aro h TRP 88 N -0.73 0.94 -0.64 4.55 7.01 -1.18 -0.32 115.95 125.57 1aro h TRP 88 Ca -0.07 0.02 0.13 0.00 2.11 0.00 0.00 58.89 61.08 1aro h TRP 88 Cb 0.55 -0.32 -0.12 0.00 -2.10 0.00 0.00 29.16 27.18 1aro h TRP 88 CO -0.03 0.60 -0.12 0.74 -2.79 0.00 0.00 178.44 176.84 1aro h PHE 89 N 1.02 -0.27 0.00 2.65 0.04 -1.40 -2.15 116.94 116.83 1aro h PHE 89 Ca 0.27 0.06 0.00 0.00 2.80 0.00 0.00 57.97 61.10 1aro h PHE 89 Cb -0.11 0.22 0.00 0.00 2.20 0.00 0.00 35.95 38.26 1aro h PHE 89 CO 0.00 -0.26 -1.42 -1.91 -0.60 0.00 0.00 178.31 174.12 1aro n GLU 90 N -5.40 0.44 -0.14 1.51 2.13 -1.11 -3.68 120.64 114.38 1aro n GLU 90 Ca 0.08 -0.07 -0.04 0.00 0.66 0.00 0.00 57.16 57.79 1aro n GLU 90 Cb 0.35 -1.58 0.05 0.00 0.27 0.00 0.00 31.44 30.52 1aro n GLU 90 CO 0.00 0.00 0.00 0.93 -0.41 0.00 0.00 177.13 177.65 1aro h GLU 91 N 0.00 0.35 0.46 5.31 5.08 -0.45 -1.16 114.58 124.18 1aro h GLU 91 Ca 0.00 -0.02 -0.02 0.00 -1.00 0.00 0.00 59.36 58.32 1aro h GLU 91 Cb 0.84 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 30.02 1aro h GLU 91 CO 0.00 0.23 -0.22 0.28 -1.00 0.00 0.00 179.01 178.30 1aro h VAL 92 N 0.36 0.55 0.00 3.13 2.07 -1.58 -2.56 116.25 118.21 1aro h VAL 92 Ca 0.21 -0.04 0.00 0.00 0.82 0.00 0.00 66.70 67.70 1aro h VAL 92 Cb 0.19 0.56 0.00 0.00 -1.52 0.00 0.00 31.29 30.53 1aro h VAL 92 CO -0.20 0.01 0.02 0.29 0.02 0.00 0.00 177.57 177.70 1aro n LYS 93 N -5.35 0.00 0.00 1.57 5.02 -0.47 -3.61 118.16 115.32 1aro n LYS 93 Ca -0.12 0.01 0.00 0.00 -2.02 0.00 0.00 58.31 56.19 1aro n LYS 93 Cb 0.27 -1.52 0.00 0.00 -0.02 0.00 0.00 35.03 33.75 1aro n LYS 93 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1aro n ALA 94 N -0.74 0.56 -2.88 7.82 0.00 -0.97 -4.58 120.51 119.71 1aro n ALA 94 Ca 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 53.44 53.22 1aro n ALA 94 Cb 0.02 -0.37 0.02 0.00 0.00 0.00 0.00 19.45 19.12 1aro n ALA 94 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1aro n LYS 95 N -0.35 -3.91 -3.91 0.00 5.02 -1.24 -4.99 118.16 108.78 1aro n LYS 95 Ca 0.00 0.88 -0.21 0.00 -2.02 0.00 0.00 58.31 56.96 1aro n LYS 95 Cb 0.00 -5.67 -0.02 0.00 -0.02 0.00 0.00 35.03 29.32 1aro n LYS 95 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 1aro s ARG 96 N -5.55 3.41 0.00 1.97 1.81 -1.26 -5.01 118.95 114.32 1aro s ARG 96 Ca 0.23 -0.79 0.00 0.00 -1.72 0.00 0.00 55.73 53.45 1aro s ARG 96 Cb -0.10 -2.88 0.00 0.00 -0.45 0.00 0.00 34.95 31.51 1aro s ARG 96 CO 0.28 0.39 0.16 0.41 -0.68 0.00 0.00 175.30 175.86 1aro n GLY 97 N -1.44 0.00 2.86 -3.53 0.00 -1.26 -4.71 105.19 97.12 1aro n GLY 97 Ca -0.08 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.72 1aro n GLY 97 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1aro s LYS 98 N -1.30 0.88 -0.19 1.61 -2.85 -1.26 -5.12 119.74 111.51 1aro s LYS 98 Ca 0.00 -0.07 -0.04 0.00 -1.00 0.00 0.00 55.97 54.86 1aro s LYS 98 Cb 0.00 -0.99 -0.02 0.00 -2.06 0.00 0.00 37.83 34.76 1aro s LYS 98 CO 0.00 -0.16 -0.02 1.03 0.10 0.00 0.00 175.35 176.30 1aro s ARG 99 N 1.31 3.59 0.91 1.78 0.52 -1.26 -5.04 118.95 120.76 1aro s ARG 99 Ca -0.05 -0.54 -0.11 0.00 -0.52 0.00 0.00 55.73 54.51 1aro s ARG 99 Cb -0.14 -3.00 0.14 0.00 0.52 0.00 0.00 34.95 32.47 1aro s ARG 99 CO -0.02 0.06 1.10 -2.14 0.02 0.00 0.00 175.30 174.31 1aro s PRO 100 N 0.85 1.10 0.00 3.54 0.02 -1.26 -4.92 135.00 134.33 1aro s PRO 100 Ca -0.00 1.09 0.18 0.00 0.02 0.00 0.00 61.00 62.29 1aro s PRO 100 Cb -0.14 -1.77 0.94 0.00 0.02 0.00 0.00 34.50 33.54 1aro s PRO 100 CO 0.02 -2.43 1.54 2.41 -0.33 0.00 0.00 177.00 178.21 1aro n THR 101 N -4.05 0.40 0.05 0.99 -1.04 -1.26 -3.08 114.28 106.30 1aro n THR 101 Ca 0.08 0.10 0.01 0.00 -2.04 0.00 0.00 64.05 62.20 1aro n THR 101 Cb 0.54 -0.80 0.02 0.00 -1.82 0.00 0.00 70.33 68.26 1aro n THR 101 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1aro n ALA 102 N -1.25 2.33 0.03 2.41 0.00 -1.26 -4.76 120.51 118.02 1aro n ALA 102 Ca 0.09 -0.71 -0.12 0.00 0.00 0.00 0.00 53.44 52.70 1aro n ALA 102 Cb 0.13 -0.10 -0.09 0.00 0.00 0.00 0.00 19.45 19.40 1aro n ALA 102 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.50 177.85 1aro h PHE 103 N 0.52 -0.14 0.00 0.00 3.04 -1.92 -0.26 116.94 118.18 1aro h PHE 103 Ca 0.00 -0.00 -0.03 0.00 3.98 0.00 0.00 57.97 61.92 1aro h PHE 103 Cb 0.28 0.05 -0.00 0.00 2.56 0.00 0.00 35.95 38.83 1aro h PHE 103 CO 0.02 0.34 -0.15 0.37 -2.02 0.00 0.00 178.31 176.87 1aro h GLN 104 N -0.72 0.00 -0.26 1.11 4.15 -1.88 -0.50 115.11 117.01 1aro h GLN 104 Ca -0.02 0.00 -0.04 0.00 0.77 0.00 0.00 58.65 59.37 1aro h GLN 104 Cb 0.54 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 28.22 1aro h GLN 104 CO 0.03 0.15 0.03 0.74 -1.93 0.00 0.00 178.83 177.84 1aro h PHE 105 N 0.00 0.48 -0.02 3.99 -1.00 -1.83 -3.27 116.94 115.30 1aro h PHE 105 Ca -0.00 -0.07 -0.22 0.00 2.81 0.00 0.00 57.97 60.48 1aro h PHE 105 Cb 0.55 -0.13 0.02 0.00 3.61 0.00 0.00 35.95 40.00 1aro h PHE 105 CO 0.00 0.57 -0.86 -0.07 -1.61 0.00 0.00 178.31 176.35 1aro h LEU 106 N 0.25 0.78 -0.74 1.54 3.38 -0.67 -3.42 115.31 116.44 1aro h LEU 106 Ca 0.08 -0.73 0.07 0.00 0.09 0.00 0.00 57.88 57.38 1aro h LEU 106 Cb 0.36 -0.24 -0.09 0.00 0.09 0.00 0.00 40.66 40.79 1aro h LEU 106 CO 0.01 1.41 -0.44 1.67 0.09 0.00 0.00 178.44 181.18 1aro n GLN 107 N -4.00 -0.33 -0.13 1.13 7.27 -0.23 -1.30 117.38 119.80 1aro n GLN 107 Ca -0.10 1.23 0.01 0.00 0.07 0.00 0.00 57.00 58.21 1aro n GLN 107 Cb 0.79 -1.81 0.07 0.00 2.41 0.00 0.00 30.24 31.70 1aro n GLN 107 CO 0.00 0.00 0.00 -1.91 0.07 0.00 0.00 177.06 175.22 1aro n GLU 108 N -4.78 1.58 -3.49 3.69 2.13 -1.26 -4.68 120.64 113.83 1aro n GLU 108 Ca 0.01 -0.54 -0.37 0.00 0.66 0.00 0.00 57.16 56.93 1aro n GLU 108 Cb 0.19 -1.48 -0.06 0.00 0.27 0.00 0.00 31.44 30.36 1aro n GLU 108 CO 0.00 0.00 0.00 0.42 -0.41 0.00 0.00 177.13 177.14 1aro s ILE 109 N -1.46 5.19 -0.13 6.31 1.01 -0.42 -5.03 121.20 126.67 1aro s ILE 109 Ca 0.09 0.73 -0.29 0.00 0.00 0.00 0.00 60.65 61.18 1aro s ILE 109 Cb 0.07 -3.69 -0.02 0.00 0.01 0.00 0.00 42.46 38.82 1aro s ILE 109 CO 0.04 0.46 1.29 -0.54 0.00 0.00 0.00 174.94 176.19 1aro s LYS 110 N -0.14 4.25 0.66 2.79 1.02 -1.26 -4.85 119.74 122.21 1aro s LYS 110 Ca 0.21 1.73 0.30 0.00 0.02 0.00 0.00 55.97 58.24 1aro s LYS 110 Cb -0.15 -3.74 1.66 0.00 -0.52 0.00 0.00 37.83 35.08 1aro s LYS 110 CO 0.09 -0.67 1.94 -1.00 -0.92 0.00 0.00 175.35 174.79 1aro h PRO 111 N 8.17 0.00 -0.91 -1.68 0.13 -1.92 0.38 132.00 136.18 1aro h PRO 111 Ca -0.30 0.00 0.17 0.00 -0.87 0.00 0.00 66.00 65.00 1aro h PRO 111 Cb 1.12 0.00 -0.10 0.00 0.13 0.00 0.00 31.00 32.15 1aro h PRO 111 CO 0.95 0.00 0.49 0.93 -0.23 0.00 0.00 178.00 180.14 1aro h GLU 112 N 0.00 0.64 0.10 0.86 4.39 -1.96 0.21 114.58 118.82 1aro h GLU 112 Ca 0.01 -0.04 -0.00 0.00 0.34 0.00 0.00 59.36 59.67 1aro h GLU 112 Cb 0.66 -0.14 0.00 0.00 -0.10 0.00 0.00 28.75 29.17 1aro h GLU 112 CO -0.00 0.43 -0.05 0.00 -1.16 0.00 0.00 179.01 178.23 1aro h ALA 113 N 1.60 -0.13 -0.52 3.43 0.00 -0.47 -3.26 119.26 119.91 1aro h ALA 113 Ca 0.51 -0.05 0.05 0.00 0.00 0.00 0.00 54.91 55.41 1aro h ALA 113 Cb 0.76 0.05 -0.06 0.00 0.00 0.00 0.00 17.79 18.54 1aro h ALA 113 CO -0.38 -0.13 -0.31 0.28 0.00 0.00 0.00 179.25 178.72 1aro n VAL 114 N -4.86 -0.35 0.27 0.00 0.31 -0.63 0.13 118.33 113.19 1aro n VAL 114 Ca -0.02 1.59 0.11 0.00 -0.01 0.00 0.00 64.34 66.00 1aro n VAL 114 Cb 0.08 -2.00 0.74 0.00 -0.91 0.00 0.00 33.84 31.74 1aro n VAL 114 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1aro h ALA 115 N 0.04 1.85 0.06 3.52 0.00 -0.81 -0.94 119.26 122.97 1aro h ALA 115 Ca 0.08 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.99 1aro h ALA 115 Cb 0.21 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.00 1aro h ALA 115 CO -0.49 -0.01 -0.03 -0.92 0.00 0.00 0.00 179.25 177.80 1aro h TYR 116 N 0.00 -0.07 -0.03 0.00 3.20 0.10 -2.70 116.97 117.47 1aro h TYR 116 Ca 0.00 -0.00 0.01 0.00 3.14 0.00 0.00 58.73 61.88 1aro h TYR 116 Cb 0.02 0.02 -0.00 0.00 1.54 0.00 0.00 36.73 38.31 1aro h TYR 116 CO 0.00 -0.05 0.57 0.82 -1.64 0.00 0.00 178.16 177.86 1aro h ILE 117 N -0.86 0.01 0.13 1.81 2.04 0.37 0.34 117.51 121.35 1aro h ILE 117 Ca -0.01 0.00 -0.35 0.00 1.00 0.00 0.00 64.86 65.51 1aro h ILE 117 Cb 0.06 0.44 -0.01 0.00 -0.74 0.00 0.00 36.82 36.56 1aro h ILE 117 CO 0.01 0.00 -1.85 0.74 0.00 0.00 0.00 178.15 177.05 1aro h THR 118 N 0.00 0.79 -0.14 -0.27 2.02 -1.22 -2.71 112.91 111.37 1aro h THR 118 Ca 0.01 -2.48 -0.21 0.00 0.77 0.00 0.00 66.41 64.50 1aro h THR 118 Cb 1.15 2.59 0.01 0.00 -1.74 0.00 0.00 68.15 70.16 1aro h THR 118 CO -0.00 0.84 -0.74 0.40 0.37 0.00 0.00 175.52 176.39 1aro h ILE 119 N 0.07 1.29 -0.67 3.11 2.04 -0.16 -2.76 117.51 120.43 1aro h ILE 119 Ca -0.37 -1.95 -0.03 0.00 1.00 0.00 0.00 64.86 63.51 1aro h ILE 119 Cb 2.05 2.02 -0.03 0.00 -0.74 0.00 0.00 36.82 40.12 1aro h ILE 119 CO 0.12 0.61 0.31 0.50 0.00 0.00 0.00 178.15 179.69 1aro h LYS 120 N 0.48 0.97 0.07 2.37 3.64 -0.69 -3.01 116.57 120.40 1aro h LYS 120 Ca -0.05 -0.15 -0.18 0.00 -1.27 0.00 0.00 60.65 58.99 1aro h LYS 120 Cb 1.37 -0.17 0.02 0.00 -0.41 0.00 0.00 32.23 33.04 1aro h LYS 120 CO 0.15 0.78 -0.75 1.15 -2.27 0.00 0.00 179.45 178.52 1aro h THR 121 N 0.93 1.44 -0.57 1.00 2.02 -1.54 -3.03 112.91 113.16 1aro h THR 121 Ca 0.23 -2.29 0.09 0.00 0.77 0.00 0.00 66.41 65.20 1aro h THR 121 Cb 0.14 2.84 -0.03 0.00 -1.74 0.00 0.00 68.15 69.35 1aro h THR 121 CO -0.03 0.66 0.38 0.74 0.37 0.00 0.00 175.52 177.65 1aro h THR 122 N -0.16 0.92 0.16 3.16 2.02 -1.54 0.15 112.91 117.61 1aro h THR 122 Ca -0.11 -0.14 -0.26 0.00 0.77 0.00 0.00 66.41 66.66 1aro h THR 122 Cb 1.50 0.46 0.03 0.00 -1.74 0.00 0.00 68.15 68.40 1aro h THR 122 CO 0.14 0.08 -1.13 -0.07 0.37 0.00 0.00 175.52 174.91 1aro h LEU 123 N 0.42 0.72 -0.09 2.58 3.38 -1.62 -2.76 115.31 117.93 1aro h LEU 123 Ca 0.26 -0.89 0.04 0.00 0.09 0.00 0.00 57.88 57.38 1aro h LEU 123 Cb 0.47 -0.23 -0.05 0.00 0.09 0.00 0.00 40.66 40.95 1aro h LEU 123 CO -0.07 1.54 -0.19 0.00 0.09 0.00 0.00 178.44 179.81 1aro h ALA 124 N 0.18 -0.17 -0.17 1.53 0.00 -1.21 -0.94 119.26 118.48 1aro h ALA 124 Ca -0.19 0.03 0.05 0.00 0.00 0.00 0.00 54.91 54.81 1aro h ALA 124 Cb 1.86 0.37 -0.01 0.00 0.00 0.00 0.00 17.79 20.01 1aro h ALA 124 CO 0.21 -0.66 0.13 0.00 0.00 0.00 0.00 179.25 178.93 1aro n LEU 126 N -4.36 0.00 -0.11 0.00 4.32 -0.37 -2.65 117.00 113.83 1aro n LEU 126 Ca 0.01 0.00 -0.12 0.00 -0.02 0.00 0.00 56.01 55.88 1aro n LEU 126 Cb 0.26 0.00 -0.03 0.00 -1.62 0.00 0.00 43.42 42.03 1aro n LEU 126 CO 0.34 0.00 0.70 0.74 -1.22 0.00 0.00 177.39 177.94 1aro h THR 127 N 0.00 1.28 -2.05 -5.08 2.02 -0.86 -3.43 112.91 104.80 1aro h THR 127 Ca 0.00 -1.16 -0.56 0.00 0.77 0.00 0.00 66.41 65.46 1aro h THR 127 Cb 0.00 1.39 -0.01 0.00 -1.74 0.00 0.00 68.15 67.80 1aro h THR 127 CO 0.00 0.37 1.47 -0.55 0.37 0.00 0.00 175.52 177.19 1aro s SER 128 N -6.25 5.32 0.00 4.18 0.15 -1.08 -4.66 113.70 111.35 1aro s SER 128 Ca -0.13 1.55 0.15 0.00 0.70 0.00 0.00 55.95 58.22 1aro s SER 128 Cb 0.09 -2.51 0.83 0.00 -1.71 0.00 0.00 66.02 62.72 1aro s SER 128 CO 0.79 -2.12 1.55 0.00 1.20 0.00 0.00 173.24 174.66 1aro n ALA 129 N 12.31 2.57 -0.45 5.45 0.00 -1.26 -4.10 120.51 135.04 1aro n ALA 129 Ca 0.29 -0.17 0.00 0.00 0.00 0.00 0.00 53.44 53.56 1aro n ALA 129 Cb 0.48 -1.21 0.00 0.00 0.00 0.00 0.00 19.45 18.72 1aro n ALA 129 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1aro n ASP 130 N -0.53 0.00 -4.11 0.00 2.03 -1.26 -4.87 116.55 107.80 1aro n ASP 130 Ca 0.12 0.08 -0.28 0.00 0.52 0.00 0.00 54.79 55.23 1aro n ASP 130 Cb 0.10 -0.28 -0.17 0.00 -0.72 0.00 0.00 41.12 40.05 1aro n ASP 130 CO 0.00 0.00 0.00 0.21 -1.92 0.00 0.00 177.20 175.49 1aro s ASN 131 N -2.50 2.36 -0.41 1.67 3.84 -1.26 -5.02 114.94 113.63 1aro s ASN 131 Ca 0.00 -0.41 0.09 0.00 0.21 0.00 0.00 52.86 52.75 1aro s ASN 131 Cb 0.00 -1.07 0.35 0.00 -0.55 0.00 0.00 41.25 39.98 1aro s ASN 131 CO 0.00 0.09 0.98 0.35 -2.79 0.00 0.00 177.10 175.73 1aro n THR 132 N 3.66 0.00 -3.44 -5.21 -2.24 -1.26 -4.81 114.28 100.98 1aro n THR 132 Ca -0.21 -2.81 -0.38 0.00 -2.27 0.00 0.00 64.05 58.38 1aro n THR 132 Cb 0.52 0.72 -0.06 0.00 -2.10 0.00 0.00 70.33 69.41 1aro n THR 132 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 1aro s THR 133 N -1.02 4.95 0.32 4.28 2.01 -1.25 -0.30 115.64 124.63 1aro s THR 133 Ca 0.29 0.88 0.11 0.00 0.31 0.00 0.00 61.69 63.29 1aro s THR 133 Cb 0.33 -3.75 0.36 0.00 0.01 0.00 0.00 72.50 69.46 1aro s THR 133 CO -0.06 0.51 1.48 0.52 -0.69 0.00 0.00 174.62 176.38 1aro n VAL 134 N 1.60 -0.39 -0.18 3.82 0.31 0.13 0.18 118.33 123.79 1aro n VAL 134 Ca -0.12 1.98 -0.06 0.00 -0.01 0.00 0.00 64.34 66.14 1aro n VAL 134 Cb 0.52 -3.06 0.03 0.00 -0.91 0.00 0.00 33.84 30.42 1aro n VAL 134 CO 0.00 0.00 0.00 -0.61 -1.32 0.00 0.00 176.83 174.90 1aro h GLN 135 N 0.00 0.65 0.27 5.55 4.15 -1.92 0.48 115.11 124.29 1aro h GLN 135 Ca 0.69 -0.04 -0.01 0.00 0.77 0.00 0.00 58.65 60.05 1aro h GLN 135 Cb 1.65 -0.15 0.00 0.00 0.21 0.00 0.00 27.48 29.20 1aro h GLN 135 CO -0.80 0.43 -0.13 0.00 -1.93 0.00 0.00 178.83 176.40 1aro h ALA 136 N 1.22 -0.76 -0.77 3.38 0.00 0.15 -1.00 119.26 121.48 1aro h ALA 136 Ca 0.20 -0.08 0.16 0.00 0.00 0.00 0.00 54.91 55.19 1aro h ALA 136 Cb -0.03 0.14 -0.15 0.00 0.00 0.00 0.00 17.79 17.76 1aro h ALA 136 CO -0.07 -0.73 -0.16 0.28 0.00 0.00 0.00 179.25 178.57 1aro h VAL 137 N -0.50 0.24 -0.48 0.00 2.07 -1.00 0.17 116.25 116.75 1aro h VAL 137 Ca -0.04 -0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.46 1aro h VAL 137 Cb 0.28 0.23 -0.02 0.00 -1.52 0.00 0.00 31.29 30.25 1aro h VAL 137 CO 0.06 0.00 0.24 0.00 0.02 0.00 0.00 177.57 177.89 1aro h ALA 138 N 1.77 0.62 -0.05 1.67 0.00 -0.08 -2.49 119.26 120.70 1aro h ALA 138 Ca 0.38 -0.11 -0.11 0.00 0.00 0.00 0.00 54.91 55.07 1aro h ALA 138 Cb 0.60 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 1aro h ALA 138 CO -0.78 0.17 -0.50 1.03 0.00 0.00 0.00 179.25 179.17 1aro h SER 139 N 0.63 0.13 0.39 0.00 0.87 0.25 -1.56 113.55 114.26 1aro h SER 139 Ca 0.17 -0.06 -0.02 0.00 -1.23 0.00 0.00 61.79 60.65 1aro h SER 139 Cb 0.10 -0.04 -0.01 0.00 -0.44 0.00 0.00 62.40 62.02 1aro h SER 139 CO -0.02 0.61 -0.29 0.00 -0.53 0.00 0.00 176.83 176.60 1aro h ALA 140 N 1.40 -1.06 -0.97 6.23 0.00 -0.37 -2.16 119.26 122.33 1aro h ALA 140 Ca 0.00 -0.13 0.21 0.00 0.00 0.00 0.00 54.91 54.99 1aro h ALA 140 Cb 0.92 0.46 -0.09 0.00 0.00 0.00 0.00 17.79 19.08 1aro h ALA 140 CO 0.07 -1.05 0.62 0.82 0.00 0.00 0.00 179.25 179.71 1aro h ILE 141 N -0.65 0.66 0.08 0.00 2.04 -1.44 -2.65 117.51 115.55 1aro h ILE 141 Ca -0.05 -0.19 0.02 0.00 1.00 0.00 0.00 64.86 65.65 1aro h ILE 141 Cb 0.54 0.07 -0.04 0.00 -0.74 0.00 0.00 36.82 36.65 1aro h ILE 141 CO 0.02 0.10 -0.33 1.23 0.00 0.00 0.00 178.15 179.16 1aro h GLY 142 N 0.54 -0.62 0.21 5.37 0.00 -0.73 -2.65 103.07 105.19 1aro h GLY 142 Ca 0.54 0.40 0.15 0.00 0.00 0.00 0.00 47.33 48.41 1aro h GLY 142 CO -0.27 -0.25 0.42 -0.09 0.00 0.00 0.00 176.54 176.35 1aro h ARG 143 N -0.54 0.58 0.88 4.80 2.43 -1.03 -3.06 114.38 118.44 1aro h ARG 143 Ca 0.04 -0.04 -0.04 0.00 -0.81 0.00 0.00 59.98 59.13 1aro h ARG 143 Cb 0.59 -0.13 0.01 0.00 -0.42 0.00 0.00 29.97 30.01 1aro h ARG 143 CO -0.22 0.39 -0.42 0.00 -1.51 0.00 0.00 179.97 178.20 1aro h ALA 144 N 1.56 -1.32 -1.03 2.80 0.00 -1.48 -2.52 119.26 117.27 1aro h ALA 144 Ca 0.46 -0.26 0.42 0.00 0.00 0.00 0.00 54.91 55.53 1aro h ALA 144 Cb 0.66 0.46 -0.18 0.00 0.00 0.00 0.00 17.79 18.73 1aro h ALA 144 CO -0.37 -1.23 0.57 0.82 0.00 0.00 0.00 179.25 179.04 1aro h ILE 145 N -1.18 0.01 -0.21 0.00 1.08 -1.40 1.06 117.51 116.87 1aro h ILE 145 Ca -0.12 -0.00 -0.06 0.00 -0.39 0.00 0.00 64.86 64.28 1aro h ILE 145 Cb 0.91 -0.00 -0.01 0.00 -3.07 0.00 0.00 36.82 34.65 1aro h ILE 145 CO 0.20 0.00 -0.11 -0.08 -0.69 0.00 0.00 178.15 177.47 1aro h GLU 146 N 0.01 0.44 -0.01 2.37 4.81 -1.43 0.40 114.58 121.18 1aro h GLU 146 Ca 0.85 -0.20 0.03 0.00 -0.13 0.00 0.00 59.36 59.91 1aro h GLU 146 Cb 2.28 -0.01 -0.05 0.00 0.63 0.00 0.00 28.75 31.60 1aro h GLU 146 CO -0.74 0.73 -0.27 -0.44 -0.73 0.00 0.00 179.01 177.57 1aro h ASP 147 N 0.14 -0.81 -0.02 1.04 3.32 0.15 0.81 116.42 121.06 1aro h ASP 147 Ca 0.05 0.11 0.03 0.00 0.02 0.00 0.00 57.03 57.24 1aro h ASP 147 Cb 0.61 0.33 -0.06 0.00 0.22 0.00 0.00 39.33 40.43 1aro h ASP 147 CO 0.03 -0.34 -0.43 -0.08 -1.72 0.00 0.00 179.24 176.70 1aro h GLU 148 N -0.41 -0.55 -0.72 3.56 4.57 -1.19 0.54 114.58 120.38 1aro h GLU 148 Ca 0.06 0.04 0.07 0.00 -1.18 0.00 0.00 59.36 58.35 1aro h GLU 148 Cb 0.50 0.12 -0.10 0.00 -0.16 0.00 0.00 28.75 29.12 1aro h GLU 148 CO -0.24 -0.37 -0.52 0.00 -1.18 0.00 0.00 179.01 176.71 1aro h ALA 149 N -0.04 -0.57 0.00 2.92 0.00 0.13 4.00 119.26 125.70 1aro h ALA 149 Ca 0.05 0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.03 1aro h ALA 149 Cb 0.65 1.26 0.00 0.00 0.00 0.00 0.00 17.79 19.70 1aro h ALA 149 CO -0.34 -0.90 0.00 -0.09 0.00 0.00 0.00 179.25 177.92 1aro h ARG 150 N -0.12 0.00 0.00 0.00 2.43 0.12 -3.20 114.38 113.60 1aro h ARG 150 Ca 0.12 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.29 1aro h ARG 150 Cb 0.42 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.97 1aro h ARG 150 CO -0.74 0.00 -0.04 1.19 -1.51 0.00 0.00 179.97 178.87 1aro n PHE 151 N -2.81 0.00 0.31 2.20 3.01 0.19 -4.72 117.46 115.63 1aro n PHE 151 Ca 0.02 -0.73 0.17 0.00 1.01 0.00 0.00 57.45 57.91 1aro n PHE 151 Cb 0.33 -0.11 0.77 0.00 -0.01 0.00 0.00 39.48 40.46 1aro n PHE 151 CO 0.00 0.00 0.00 0.78 1.01 0.00 0.00 176.76 178.55 1aro h GLY 152 N 0.00 0.00 0.00 1.37 0.00 0.76 -2.73 103.07 102.47 1aro h GLY 152 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 47.33 47.25 1aro h GLY 152 CO 0.00 0.00 -1.02 0.54 0.00 0.00 0.00 176.54 176.06 1aro n ARG 153 N -2.83 0.51 -0.24 4.80 1.74 -1.26 -2.62 116.66 116.75 1aro n ARG 153 Ca -0.00 0.39 0.32 0.00 -0.77 0.00 0.00 57.85 57.79 1aro n ARG 153 Cb 0.21 -1.58 0.74 0.00 -1.02 0.00 0.00 32.46 30.80 1aro n ARG 153 CO 0.00 0.00 0.00 0.82 -1.52 0.00 0.00 177.63 176.93 1aro h ILE 154 N -1.00 0.45 0.32 0.55 2.04 -1.87 -0.31 117.51 117.69 1aro h ILE 154 Ca -0.13 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 65.72 1aro h ILE 154 Cb 0.91 0.47 0.00 0.00 -0.74 0.00 0.00 36.82 37.46 1aro h ILE 154 CO -0.08 0.00 -0.16 -0.09 0.00 0.00 0.00 178.15 177.83 1aro h ARG 155 N 0.00 -0.42 -0.96 2.37 2.43 -1.64 -1.40 114.38 114.76 1aro h ARG 155 Ca 0.49 0.03 0.28 0.00 -0.81 0.00 0.00 59.98 59.97 1aro h ARG 155 Cb 2.00 0.10 -0.14 0.00 -0.42 0.00 0.00 29.97 31.50 1aro h ARG 155 CO -0.01 -0.28 0.47 0.22 -1.51 0.00 0.00 179.97 178.87 1aro h ASP 156 N -0.86 0.39 0.48 -3.80 1.82 -0.88 0.82 116.42 114.40 1aro h ASP 156 Ca -0.04 0.18 -0.02 0.00 -0.39 0.00 0.00 57.03 56.75 1aro h ASP 156 Cb 0.33 0.16 0.00 0.00 0.68 0.00 0.00 39.33 40.50 1aro h ASP 156 CO 0.07 -0.09 -0.23 -0.07 -1.61 0.00 0.00 179.24 177.31 1aro h LEU 157 N 0.34 -0.55 -1.33 2.28 3.38 -1.21 -3.03 115.31 115.19 1aro h LEU 157 Ca 0.66 0.02 0.41 0.00 0.09 0.00 0.00 57.88 59.06 1aro h LEU 157 Cb 1.41 0.14 -0.13 0.00 0.09 0.00 0.00 40.66 42.17 1aro h LEU 157 CO -0.59 -0.16 0.78 -0.08 0.09 0.00 0.00 178.44 178.48 1aro h GLU 158 N -1.13 0.12 0.95 1.13 4.81 -0.03 0.53 114.58 120.96 1aro h GLU 158 Ca -0.07 -0.01 -0.04 0.00 -0.13 0.00 0.00 59.36 59.11 1aro h GLU 158 Cb 0.50 -0.03 0.01 0.00 0.63 0.00 0.00 28.75 29.86 1aro h GLU 158 CO 0.11 0.08 -0.49 0.00 -0.73 0.00 0.00 179.01 177.97 1aro h ALA 159 N 1.66 -1.34 -1.78 2.92 0.00 -0.88 -2.14 119.26 117.70 1aro h ALA 159 Ca 0.80 -0.28 0.54 0.00 0.00 0.00 0.00 54.91 55.96 1aro h ALA 159 Cb 2.38 0.56 -0.09 0.00 0.00 0.00 0.00 17.79 20.64 1aro h ALA 159 CO -0.46 -1.26 1.25 0.87 0.00 0.00 0.00 179.25 179.65 1aro h LYS 160 N -1.32 0.01 -1.49 0.00 1.57 0.20 2.21 116.57 117.75 1aro h LYS 160 Ca -0.13 -0.00 0.43 0.00 -1.87 0.00 0.00 60.65 59.08 1aro h LYS 160 Cb 1.03 -0.00 -0.06 0.00 0.08 0.00 0.00 32.23 33.27 1aro h LYS 160 CO 0.19 0.00 1.23 1.25 -0.57 0.00 0.00 179.45 181.55 1aro h HIS 161 N 0.01 0.00 -2.45 -1.35 2.76 -1.16 -3.39 115.15 109.57 1aro h HIS 161 Ca 0.90 0.00 0.19 0.00 -2.20 0.00 0.00 60.37 59.27 1aro h HIS 161 Cb 3.44 0.00 -0.04 0.00 1.55 0.00 0.00 27.41 32.37 1aro h HIS 161 CO -0.00 0.00 0.64 0.34 -1.30 0.00 0.00 177.93 177.61 1aro n PHE 162 N -3.75 -1.13 -1.80 5.26 7.35 0.75 -5.14 117.46 118.99 1aro n PHE 162 Ca 0.33 -1.13 -0.41 0.00 -0.76 0.00 0.00 57.45 55.49 1aro n PHE 162 Cb 1.68 0.54 -0.01 0.00 0.35 0.00 0.00 39.48 42.04 1aro n PHE 162 CO 0.00 0.00 0.00 0.21 -0.76 0.00 0.00 176.76 176.21 1aro s LYS 163 N -2.04 4.12 -0.66 -4.13 2.47 -1.26 -4.77 119.74 113.47 1aro s LYS 163 Ca 0.24 2.56 -0.26 0.00 -1.56 0.00 0.00 55.97 56.96 1aro s LYS 163 Cb -0.02 -3.00 -0.12 0.00 -1.46 0.00 0.00 37.83 33.22 1aro s LYS 163 CO 0.04 -0.58 2.43 1.63 0.16 0.00 0.00 175.35 179.03 1aro n LYS 164 N 1.50 0.74 -3.21 4.03 5.02 -1.26 -5.04 118.16 119.93 1aro n LYS 164 Ca 0.05 -0.30 -0.45 0.00 -2.02 0.00 0.00 58.31 55.59 1aro n LYS 164 Cb 0.38 -3.27 -0.05 0.00 -0.02 0.00 0.00 35.03 32.07 1aro n LYS 164 CO 0.00 0.00 0.00 -0.06 -0.52 0.00 0.00 177.40 176.82 1aro s PHE 182 N 12.33 3.10 0.26 2.13 0.40 -1.26 -5.63 117.98 129.31 1aro s PHE 182 Ca 1.01 -0.95 -0.29 0.00 -0.60 0.00 0.00 56.93 56.09 1aro s PHE 182 Cb -0.28 -3.75 -0.09 0.00 0.51 0.00 0.00 43.02 39.42 1aro s PHE 182 CO 0.23 -1.10 1.24 -1.64 0.70 0.00 0.00 175.22 174.65 1aro s MET 183 N 2.26 4.46 -0.49 0.44 -1.94 -1.26 -4.95 119.30 117.81 1aro s MET 183 Ca 0.09 2.02 -0.09 0.00 -1.71 0.00 0.00 55.69 55.99 1aro s MET 183 Cb -0.25 -3.16 0.12 0.00 2.01 0.00 0.00 34.83 33.56 1aro s MET 183 CO 0.07 -0.09 0.37 -1.14 -0.01 0.00 0.00 175.02 174.21 1aro s GLN 184 N -0.99 2.54 -0.14 2.03 0.74 -1.26 -4.64 119.66 117.94 1aro s GLN 184 Ca 0.51 -1.81 0.13 0.00 0.05 0.00 0.00 55.36 54.24 1aro s GLN 184 Cb -0.36 -3.95 0.64 0.00 1.10 0.00 0.00 33.01 30.44 1aro s GLN 184 CO 0.43 -1.21 1.51 0.28 -0.55 0.00 0.00 175.29 175.75 1aro n VAL 185 N 4.84 1.88 -2.66 1.34 0.31 -1.26 -4.95 118.33 117.84 1aro n VAL 185 Ca -0.07 -1.06 -0.40 0.00 -0.01 0.00 0.00 64.34 62.80 1aro n VAL 185 Cb 0.41 -0.12 -0.05 0.00 -0.91 0.00 0.00 33.84 33.16 1aro n VAL 185 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 1aro s VAL 186 N -2.11 3.98 0.13 2.52 1.01 -1.26 -4.93 120.40 119.74 1aro s VAL 186 Ca 0.44 1.90 0.04 0.00 0.00 0.00 0.00 61.98 64.36 1aro s VAL 186 Cb 0.31 -4.21 -0.04 0.00 0.00 0.00 0.00 36.38 32.43 1aro s VAL 186 CO 0.17 0.42 -0.10 -1.61 0.00 0.00 0.00 175.10 173.98 1aro s GLU 187 N -0.97 0.98 0.00 2.72 8.01 -1.26 -5.06 118.70 123.12 1aro s GLU 187 Ca 0.44 -1.36 0.04 0.00 0.01 0.00 0.00 54.97 54.10 1aro s GLU 187 Cb -0.27 -0.56 -0.02 0.00 -4.31 0.00 0.00 34.13 28.96 1aro s GLU 187 CO 0.34 0.07 0.31 0.00 0.01 0.00 0.00 175.26 175.98 1aro n ALA 188 N 0.02 2.54 0.00 5.21 0.00 -1.26 -4.52 120.51 122.49 1aro n ALA 188 Ca -0.12 -0.23 0.00 0.00 0.00 0.00 0.00 53.44 53.09 1aro n ALA 188 Cb 0.60 -0.16 0.00 0.00 0.00 0.00 0.00 19.45 19.89 1aro n ALA 188 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1aro n ASP 189 N -0.73 0.00 0.00 0.00 8.00 -1.26 -4.91 116.55 117.65 1aro n ASP 189 Ca 0.01 0.00 0.01 0.00 0.71 0.00 0.00 54.79 55.53 1aro n ASP 189 Cb 0.08 0.00 0.09 0.00 -0.02 0.00 0.00 41.12 41.27 1aro n ASP 189 CO 0.00 0.00 0.00 0.80 -0.39 0.00 0.00 177.20 177.61 1aro n MET 190 N -0.42 0.15 -2.29 -1.24 1.56 -1.26 -4.65 117.12 108.97 1aro n MET 190 Ca 0.00 0.00 -0.42 0.00 -0.27 0.00 0.00 57.70 57.01 1aro n MET 190 Cb 0.00 -1.30 -0.03 0.00 2.15 0.00 0.00 33.22 34.04 1aro n MET 190 CO 0.00 0.00 0.00 -0.51 -0.73 0.00 0.00 175.97 174.73 1aro s LEU 191 N -1.60 4.35 0.48 -0.89 1.43 -1.26 -4.96 118.68 116.22 1aro s LEU 191 Ca 0.04 2.13 -0.24 0.00 -1.03 0.00 0.00 54.13 55.04 1aro s LEU 191 Cb 0.02 -3.58 -0.08 0.00 0.03 0.00 0.00 46.19 42.59 1aro s LEU 191 CO 0.03 -0.60 1.28 -0.24 0.23 0.00 0.00 176.35 177.05 1aro n SER 192 N 4.38 2.50 -0.86 2.29 2.88 -1.26 -4.80 113.62 118.75 1aro n SER 192 Ca 0.11 1.05 0.00 0.00 -1.33 0.00 0.00 58.87 58.70 1aro n SER 192 Cb 0.44 -1.52 0.00 0.00 -0.75 0.00 0.00 64.21 62.38 1aro n SER 192 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 1aro n LYS 193 N -0.36 0.50 -0.45 -1.46 5.02 -1.26 -1.66 118.16 118.49 1aro n LYS 193 Ca 0.08 0.00 0.05 0.00 -2.02 0.00 0.00 58.31 56.42 1aro n LYS 193 Cb 0.42 -1.25 0.09 0.00 -0.02 0.00 0.00 35.03 34.27 1aro n LYS 193 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1aro n GLY 194 N 0.61 3.01 0.00 0.72 0.00 -1.26 -4.53 105.19 103.73 1aro n GLY 194 Ca 0.00 -0.75 0.00 0.00 0.00 0.00 0.00 46.02 45.27 1aro n GLY 194 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1aro n LEU 195 N -0.69 1.33 -4.50 0.99 4.77 -0.66 -4.84 117.00 113.40 1aro n LEU 195 Ca 0.10 -1.33 -0.44 0.00 -0.03 0.00 0.00 56.01 54.31 1aro n LEU 195 Cb 0.72 0.00 -0.00 0.00 -2.33 0.00 0.00 43.42 41.81 1aro n LEU 195 CO -0.01 0.33 1.55 -0.76 -1.33 0.00 0.00 177.39 177.18 1aro s LEU 196 N -0.43 4.69 0.00 2.23 1.43 -1.26 -4.89 118.68 120.46 1aro s LEU 196 Ca 0.00 -2.81 0.00 0.00 -1.03 0.00 0.00 54.13 50.29 1aro s LEU 196 Cb 0.00 -2.45 0.00 0.00 0.03 0.00 0.00 46.19 43.77 1aro s LEU 196 CO 0.00 -0.88 0.00 0.61 0.23 0.00 0.00 176.35 176.31 1aro n GLY 197 N 4.53 0.00 0.00 -3.19 0.00 -1.21 -4.95 105.19 100.37 1aro n GLY 197 Ca 0.40 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.42 1aro n GLY 197 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1aro n GLY 198 N 0.00 1.06 3.62 -0.02 0.00 -1.26 -4.69 105.19 103.91 1aro n GLY 198 Ca 0.00 -0.69 -0.43 0.00 0.00 0.00 0.00 46.02 44.90 1aro n GLY 198 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1aro s GLU 199 N 4.14 3.91 0.07 1.61 2.56 -1.26 -4.77 118.70 124.96 1aro s GLU 199 Ca 0.00 0.90 0.06 0.00 0.00 0.00 0.00 54.97 55.92 1aro s GLU 199 Cb 0.00 -3.82 -0.23 0.00 2.00 0.00 0.00 34.13 32.08 1aro s GLU 199 CO 0.00 -1.13 1.10 0.00 -0.56 0.00 0.00 175.26 174.67 1aro h ALA 200 N 8.72 0.39 -2.66 6.30 0.00 -1.89 -3.41 119.26 126.71 1aro h ALA 200 Ca -0.22 -1.04 -0.53 0.00 0.00 0.00 0.00 54.91 53.12 1aro h ALA 200 Cb 1.07 0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.86 1aro h ALA 200 CO 1.07 1.27 0.11 -1.58 0.00 0.00 0.00 179.25 180.12 1aro s TRP 201 N -2.67 3.81 0.59 0.00 0.52 -1.26 -4.89 118.94 115.04 1aro s TRP 201 Ca -0.02 1.48 -0.17 0.00 0.02 0.00 0.00 56.10 57.41 1aro s TRP 201 Cb 0.09 -2.66 -0.03 0.00 -1.15 0.00 0.00 33.47 29.71 1aro s TRP 201 CO 0.83 0.48 1.09 -1.54 0.02 0.00 0.00 176.95 177.83 1aro s SER 202 N -1.29 5.61 -0.21 2.95 1.04 -1.26 -5.00 113.70 115.53 1aro s SER 202 Ca 0.36 1.95 0.05 0.00 0.48 0.00 0.00 55.95 58.80 1aro s SER 202 Cb -0.20 -2.55 -0.17 0.00 0.10 0.00 0.00 66.02 63.20 1aro s SER 202 CO 0.23 -1.29 -0.13 -1.20 0.98 0.00 0.00 173.24 171.83 1aro n SER 203 N -1.91 1.84 -4.17 7.02 7.64 -1.26 -5.03 113.62 117.75 1aro n SER 203 Ca 0.10 -0.09 -0.37 0.00 1.01 0.00 0.00 58.87 59.52 1aro n SER 203 Cb 0.52 -0.02 0.04 0.00 -1.01 0.00 0.00 64.21 63.75 1aro n SER 203 CO 0.00 0.00 0.00 0.79 -3.01 0.00 0.00 175.04 172.82 1aro n TRP 204 N -3.02 -3.64 -2.69 1.43 7.02 -1.26 -4.92 117.44 110.36 1aro n TRP 204 Ca -0.37 0.18 -0.37 0.00 -1.02 0.00 0.00 57.50 55.92 1aro n TRP 204 Cb 0.96 -1.60 -0.06 0.00 -2.42 0.00 0.00 31.31 28.20 1aro n TRP 204 CO 0.00 0.00 0.00 -1.01 -2.02 0.00 0.00 177.69 174.66 1aro s HIS 205 N -2.02 3.53 0.18 -5.99 3.76 -1.26 -4.93 115.29 108.56 1aro s HIS 205 Ca 0.50 1.73 -0.12 0.00 -0.15 0.00 0.00 55.06 57.01 1aro s HIS 205 Cb -0.30 -3.01 0.17 0.00 1.11 0.00 0.00 32.58 30.55 1aro s HIS 205 CO 0.73 -0.12 1.77 -0.22 -0.85 0.00 0.00 174.74 176.05 1aro h LYS 206 N 2.94 0.44 0.09 1.40 1.63 -1.95 -1.73 116.57 119.39 1aro h LYS 206 Ca -0.47 -0.03 0.01 0.00 -0.85 0.00 0.00 60.65 59.31 1aro h LYS 206 Cb 1.20 -0.10 -0.03 0.00 -0.60 0.00 0.00 32.23 32.70 1aro h LYS 206 CO 0.64 0.29 -0.30 1.49 -3.45 0.00 0.00 179.45 178.12 1aro h GLU 207 N 0.45 -0.43 -0.96 1.90 4.81 -1.96 -1.88 114.58 116.52 1aro h GLU 207 Ca 0.24 0.03 0.11 0.00 -0.13 0.00 0.00 59.36 59.61 1aro h GLU 207 Cb 0.20 0.10 -0.13 0.00 0.63 0.00 0.00 28.75 29.54 1aro h GLU 207 CO -0.20 -0.29 -0.51 -0.44 -0.73 0.00 0.00 179.01 176.84 1aro h ASP 208 N -0.44 -1.88 -1.07 1.04 3.32 -1.92 1.09 116.42 116.56 1aro h ASP 208 Ca -0.01 0.32 0.32 0.00 0.02 0.00 0.00 57.03 57.68 1aro h ASP 208 Cb 0.44 0.87 -0.13 0.00 0.22 0.00 0.00 39.33 40.73 1aro h ASP 208 CO -0.15 -0.26 0.65 -1.28 -1.72 0.00 0.00 179.24 176.47 1aro h SER 209 N -0.03 0.48 -0.48 6.45 0.87 -1.01 0.23 113.55 120.07 1aro h SER 209 Ca 0.22 0.15 -0.12 0.00 -1.23 0.00 0.00 61.79 60.81 1aro h SER 209 Cb 0.49 0.09 -0.01 0.00 -0.44 0.00 0.00 62.40 62.52 1aro h SER 209 CO -0.93 -0.06 -0.16 0.40 -0.53 0.00 0.00 176.83 175.55 1aro h ILE 210 N 0.34 1.27 -0.28 2.23 2.04 0.20 -2.42 117.51 120.89 1aro h ILE 210 Ca 0.71 -1.31 -0.04 0.00 1.00 0.00 0.00 64.86 65.21 1aro h ILE 210 Cb 1.73 1.12 -0.01 0.00 -0.74 0.00 0.00 36.82 38.91 1aro h ILE 210 CO -0.48 0.45 0.00 0.45 0.00 0.00 0.00 178.15 178.57 1aro h HIS 211 N 0.80 0.54 -0.47 1.37 3.86 -0.11 0.52 115.15 121.66 1aro h HIS 211 Ca 0.11 -0.09 0.06 0.00 -1.16 0.00 0.00 60.37 59.29 1aro h HIS 211 Cb 0.73 -0.14 -0.05 0.00 1.06 0.00 0.00 27.41 29.01 1aro h HIS 211 CO 0.05 0.64 0.18 0.28 0.86 0.00 0.00 177.93 179.94 1aro h VAL 212 N 0.29 0.87 -0.51 2.45 2.07 -1.31 -0.68 116.25 119.43 1aro h VAL 212 Ca 0.08 -0.12 -0.04 0.00 0.82 0.00 0.00 66.70 67.44 1aro h VAL 212 Cb 0.42 0.47 -0.02 0.00 -1.52 0.00 0.00 31.29 30.64 1aro h VAL 212 CO 0.01 0.07 0.18 1.23 0.02 0.00 0.00 177.57 179.08 1aro h GLY 213 N 0.36 0.83 1.51 2.17 0.00 -1.22 -2.40 103.07 104.32 1aro h GLY 213 Ca 0.22 -0.48 -0.03 0.00 0.00 0.00 0.00 47.33 47.04 1aro h GLY 213 CO -0.21 0.45 0.16 -0.24 0.00 0.00 0.00 176.54 176.69 1aro h VAL 214 N 0.69 1.18 -0.20 4.60 3.04 -0.19 0.30 116.25 125.67 1aro h VAL 214 Ca 0.17 -0.57 -0.10 0.00 -1.01 0.00 0.00 66.70 65.19 1aro h VAL 214 Cb 0.25 0.67 -0.00 0.00 -2.01 0.00 0.00 31.29 30.20 1aro h VAL 214 CO -0.01 0.22 -0.26 -0.09 -1.01 0.00 0.00 177.57 176.42 1aro h ARG 215 N 0.63 0.53 -0.21 4.17 9.65 -0.97 0.02 114.38 128.20 1aro h ARG 215 Ca 0.15 -0.30 0.02 0.00 -1.10 0.00 0.00 59.98 58.74 1aro h ARG 215 Cb 0.16 0.02 -0.02 0.00 -1.39 0.00 0.00 29.97 28.74 1aro h ARG 215 CO -0.01 0.90 0.10 0.00 2.80 0.00 0.00 179.97 183.75 1aro h ILE 217 N 0.21 0.84 0.39 0.00 2.04 -0.22 -0.50 117.51 120.26 1aro h ILE 217 Ca 0.09 -0.31 -0.02 0.00 1.00 0.00 0.00 64.86 65.62 1aro h ILE 217 Cb 0.03 -0.14 0.00 0.00 -0.74 0.00 0.00 36.82 35.98 1aro h ILE 217 CO -0.07 0.16 -0.19 -0.33 0.00 0.00 0.00 178.15 177.73 1aro h GLU 218 N 0.89 -0.50 -0.20 2.37 5.08 -0.05 -2.79 114.58 119.38 1aro h GLU 218 Ca 0.52 0.03 0.06 0.00 -1.00 0.00 0.00 59.36 58.97 1aro h GLU 218 Cb 0.64 0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.99 1aro h GLU 218 CO -0.31 -0.20 0.26 0.52 -1.00 0.00 0.00 179.01 178.27 1aro h MET 219 N -0.81 0.00 -0.08 2.33 2.86 -0.37 -0.67 114.93 118.19 1aro h MET 219 Ca -0.05 0.00 -0.02 0.00 -2.06 0.00 0.00 59.70 57.56 1aro h MET 219 Cb 0.53 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.19 1aro h MET 219 CO 0.09 0.00 -0.04 1.25 1.06 0.00 0.00 176.91 179.26 1aro h LEU 220 N 0.00 0.18 -1.00 1.22 5.85 -0.88 -2.77 115.31 117.91 1aro h LEU 220 Ca 0.09 -0.42 -0.04 0.00 0.84 0.00 0.00 57.88 58.35 1aro h LEU 220 Cb 0.60 -0.05 -0.03 0.00 0.37 0.00 0.00 40.66 41.55 1aro h LEU 220 CO -0.00 0.56 0.28 0.40 -0.34 0.00 0.00 178.44 179.35 1aro h ILE 221 N -0.21 1.23 -0.03 4.05 2.04 -0.89 -1.87 117.51 121.84 1aro h ILE 221 Ca 0.02 -0.71 -0.25 0.00 1.00 0.00 0.00 64.86 64.92 1aro h ILE 221 Cb 0.50 0.40 0.01 0.00 -0.74 0.00 0.00 36.82 37.00 1aro h ILE 221 CO 0.01 0.29 -0.96 -0.33 0.00 0.00 0.00 178.15 177.16 1aro h GLU 222 N 0.98 0.64 0.00 2.37 4.39 -1.44 -3.19 114.58 118.33 1aro h GLU 222 Ca 0.23 -0.65 -0.20 0.00 0.34 0.00 0.00 59.36 59.08 1aro h GLU 222 Cb 0.17 0.18 -0.03 0.00 -0.10 0.00 0.00 28.75 28.97 1aro h GLU 222 CO -0.02 1.25 -1.02 0.66 -1.16 0.00 0.00 179.01 178.72 1aro h SER 223 N 0.38 0.00 -2.64 1.42 4.64 -1.53 -3.43 113.55 112.39 1aro h SER 223 Ca -0.10 0.00 -0.31 0.00 -0.47 0.00 0.00 61.79 60.91 1aro h SER 223 Cb 1.61 0.00 -0.36 0.00 -0.31 0.00 0.00 62.40 63.34 1aro h SER 223 CO 0.18 0.91 -0.62 0.42 -0.87 0.00 0.00 176.83 176.86 1aro s THR 224 N -2.74 -0.32 0.00 2.95 -4.23 -0.70 -4.79 115.64 105.80 1aro s THR 224 Ca 0.01 -0.01 -0.00 0.00 -1.18 0.00 0.00 61.69 60.50 1aro s THR 224 Cb 0.09 -0.60 -0.00 0.00 1.34 0.00 0.00 72.50 73.33 1aro s THR 224 CO 0.81 -0.13 0.66 0.61 -0.54 0.00 0.00 174.62 176.03 1aro n GLY 225 N 5.32 1.14 0.43 3.99 0.00 -1.21 -3.86 105.19 111.01 1aro n GLY 225 Ca -0.05 -0.02 -0.17 0.00 0.00 0.00 0.00 46.02 45.78 1aro n GLY 225 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 173.32 175.30 1aro h MET 226 N 3.15 -0.85 -5.75 1.61 1.85 -1.82 -3.40 114.93 109.73 1aro h MET 226 Ca 0.00 0.06 -0.60 0.00 -0.61 0.00 0.00 59.70 58.55 1aro h MET 226 Cb 0.32 0.19 -0.10 0.00 0.43 0.00 0.00 31.60 32.44 1aro h MET 226 CO 0.02 -0.57 -0.51 0.14 -0.40 0.00 0.00 176.91 175.59 1aro s VAL 227 N -5.96 2.02 -0.02 -5.77 -7.23 -1.26 -1.32 120.40 100.86 1aro s VAL 227 Ca -0.17 -1.80 -0.21 0.00 -1.81 0.00 0.00 61.98 57.98 1aro s VAL 227 Cb 0.05 -2.82 0.04 0.00 0.56 0.00 0.00 36.38 34.21 1aro s VAL 227 CO 0.62 0.00 0.46 -0.94 -0.31 0.00 0.00 175.10 174.93 1aro s SER 228 N -3.88 -0.38 0.17 4.85 1.04 -1.21 -4.78 113.70 109.52 1aro s SER 228 Ca 0.34 0.33 -0.30 0.00 0.48 0.00 0.00 55.95 56.80 1aro s SER 228 Cb 0.05 0.41 -0.07 0.00 0.10 0.00 0.00 66.02 66.50 1aro s SER 228 CO 0.19 -0.53 1.01 -0.22 0.98 0.00 0.00 173.24 174.67 1aro s LEU 229 N -1.32 4.54 -0.08 2.42 0.20 -1.26 -4.29 118.68 118.88 1aro s LEU 229 Ca -0.12 1.95 0.04 0.00 0.69 0.00 0.00 54.13 56.69 1aro s LEU 229 Cb -0.03 -3.60 -0.01 0.00 -0.43 0.00 0.00 46.19 42.12 1aro s LEU 229 CO 0.06 -0.06 -0.22 -1.00 -0.29 0.00 0.00 176.35 174.84 1aro s HIS 230 N -0.43 2.57 -0.68 5.38 3.76 -0.68 -4.65 115.29 120.55 1aro s HIS 230 Ca 0.46 -0.77 -0.02 0.00 -0.15 0.00 0.00 55.06 54.58 1aro s HIS 230 Cb -0.26 -1.68 0.00 0.00 1.11 0.00 0.00 32.58 31.75 1aro s HIS 230 CO 0.33 -0.25 0.28 -2.13 -0.85 0.00 0.00 174.74 172.11 1aro n ARG 231 N 3.18 -2.19 -1.45 1.40 3.00 -1.26 -3.50 116.66 115.84 1aro n ARG 231 Ca -0.18 0.40 -0.37 0.00 -0.00 0.00 0.00 57.85 57.70 1aro n ARG 231 Cb 0.52 -4.19 0.06 0.00 0.00 0.00 0.00 32.46 28.86 1aro n ARG 231 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1aro n GLN 232 N -2.18 0.60 0.00 -0.14 10.64 -1.26 -4.59 117.38 120.45 1aro n GLN 232 Ca -0.05 0.25 0.00 0.00 -1.83 0.00 0.00 57.00 55.37 1aro n GLN 232 Cb 0.55 -2.04 0.00 0.00 -0.86 0.00 0.00 30.24 27.89 1aro n GLN 232 CO 0.00 0.00 0.00 0.09 -1.83 0.00 0.00 177.06 175.32 1aro n ASN 233 N -0.74 0.00 0.00 2.61 3.02 -1.25 -5.04 115.26 113.86 1aro n ASN 233 Ca 0.13 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.68 1aro n ASN 233 Cb 0.49 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.66 1aro n ASN 233 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 1aro n SER 241 N -1.24 0.00 -4.60 6.41 3.41 -1.26 -5.63 113.62 110.71 1aro n SER 241 Ca 0.00 0.00 -0.43 0.00 -0.26 0.00 0.00 58.87 58.18 1aro n SER 241 Cb 0.00 0.00 -0.02 0.00 -0.26 0.00 0.00 64.21 63.93 1aro n SER 241 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 1aro s GLU 242 N 0.00 3.41 0.00 4.33 0.41 -1.23 -0.70 118.70 124.93 1aro s GLU 242 Ca 0.00 1.11 0.26 0.00 -0.41 0.00 0.00 54.97 55.93 1aro s GLU 242 Cb 0.00 -4.12 0.75 0.00 -1.78 0.00 0.00 34.13 28.97 1aro s GLU 242 CO 0.00 -1.77 1.57 2.41 -0.49 0.00 0.00 175.26 176.98 1aro n THR 243 N 7.23 0.05 0.60 3.63 -1.04 0.59 -1.69 114.28 123.64 1aro n THR 243 Ca 0.19 -0.36 0.07 0.00 -2.04 0.00 0.00 64.05 61.91 1aro n THR 243 Cb 0.48 0.79 0.33 0.00 -1.82 0.00 0.00 70.33 70.11 1aro n THR 243 CO 0.00 0.00 0.00 2.30 -0.64 0.00 0.00 175.07 176.73 1aro n ILE 244 N 0.59 0.74 -2.97 12.58 -5.35 -1.24 -4.43 119.36 119.28 1aro n ILE 244 Ca 0.17 0.19 -0.35 0.00 -0.27 0.00 0.00 62.75 62.49 1aro n ILE 244 Cb 0.43 -0.96 -0.06 0.00 -1.74 0.00 0.00 39.64 37.31 1aro n ILE 244 CO 0.00 0.00 0.00 -1.61 -1.76 0.00 0.00 176.55 173.18 1aro s GLU 245 N -2.69 4.29 -0.14 6.28 0.41 -1.26 -4.99 118.70 120.61 1aro s GLU 245 Ca 0.11 1.00 -0.00 0.00 -0.41 0.00 0.00 54.97 55.67 1aro s GLU 245 Cb 0.09 -2.65 -0.01 0.00 -1.78 0.00 0.00 34.13 29.78 1aro s GLU 245 CO 0.22 0.24 -0.14 -0.51 -0.49 0.00 0.00 175.26 174.59 1aro s LEU 246 N -2.41 2.66 0.47 1.80 1.43 -1.26 -3.29 118.68 118.08 1aro s LEU 246 Ca 0.50 -0.36 -0.18 0.00 -1.03 0.00 0.00 54.13 53.06 1aro s LEU 246 Cb -0.15 -1.60 -0.15 0.00 0.03 0.00 0.00 46.19 44.33 1aro s LEU 246 CO 0.20 0.15 -0.08 0.00 0.23 0.00 0.00 176.35 176.84 1aro n ALA 247 N 3.64 -3.02 0.08 4.21 0.00 -0.44 -4.40 120.51 120.58 1aro n ALA 247 Ca -0.18 -0.01 0.04 0.00 0.00 0.00 0.00 53.44 53.29 1aro n ALA 247 Cb 0.53 -1.40 0.23 0.00 0.00 0.00 0.00 19.45 18.80 1aro n ALA 247 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1aro n PRO 248 N 1.45 0.05 -0.00 0.00 -0.04 -1.26 -1.50 135.00 133.70 1aro n PRO 248 Ca 0.08 0.49 -0.00 0.00 -0.04 0.00 0.00 63.50 64.04 1aro n PRO 248 Cb 0.45 -1.81 -0.00 0.00 -0.04 0.00 0.00 33.50 32.10 1aro n PRO 248 CO 0.00 0.00 0.00 1.05 -0.04 0.00 0.00 175.50 176.51 1aro h GLU 249 N 0.00 0.00 -0.01 0.54 4.11 -1.95 -3.24 114.58 114.03 1aro h GLU 249 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 1aro h GLU 249 Cb 0.26 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.51 1aro h GLU 249 CO 0.00 0.00 0.02 1.88 0.07 0.00 0.00 179.01 180.98 1aro h TYR 250 N -0.06 0.00 0.00 2.06 -1.99 -1.84 -2.21 116.97 112.94 1aro h TYR 250 Ca 0.00 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.73 1aro h TYR 250 Cb 0.00 0.00 0.00 0.00 2.00 0.00 0.00 36.73 38.73 1aro h TYR 250 CO -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 178.16 178.16 1aro n ALA 251 N -2.26 -0.21 -0.24 3.88 0.00 -0.56 -1.79 120.51 119.33 1aro n ALA 251 Ca -0.03 0.00 0.27 0.00 0.00 0.00 0.00 53.44 53.68 1aro n ALA 251 Cb 0.10 0.11 0.65 0.00 0.00 0.00 0.00 19.45 20.32 1aro n ALA 251 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 1aro h GLU 252 N 0.00 0.14 0.00 0.00 5.08 -1.54 -2.71 114.58 115.54 1aro h GLU 252 Ca 0.00 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 1aro h GLU 252 Cb 0.00 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.22 1aro h GLU 252 CO 0.00 0.09 0.00 0.00 -1.00 0.00 0.00 179.01 178.10 1aro n ALA 253 N -2.65 -0.05 -0.33 3.43 0.00 -0.84 -0.85 120.51 119.22 1aro n ALA 253 Ca 0.21 0.00 0.20 0.00 0.00 0.00 0.00 53.44 53.85 1aro n ALA 253 Cb 0.95 0.12 0.38 0.00 0.00 0.00 0.00 19.45 20.90 1aro n ALA 253 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 1aro h ILE 254 N 0.00 0.10 0.28 0.00 2.04 -1.03 -2.78 117.51 116.12 1aro h ILE 254 Ca 0.00 -0.02 -0.01 0.00 1.00 0.00 0.00 64.86 65.82 1aro h ILE 254 Cb 0.00 0.02 0.00 0.00 -0.74 0.00 0.00 36.82 36.10 1aro h ILE 254 CO 0.00 0.01 -0.14 0.00 0.00 0.00 0.00 178.15 178.03 1aro h ALA 255 N 1.94 -0.39 0.25 1.87 0.00 -1.46 -3.41 119.26 118.05 1aro h ALA 255 Ca 0.67 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.50 1aro h ALA 255 Cb 1.51 0.15 -0.04 0.00 0.00 0.00 0.00 17.79 19.41 1aro h ALA 255 CO -0.80 -0.36 -0.53 1.15 0.00 0.00 0.00 179.25 178.71 1aro h THR 256 N -1.08 0.00 -4.53 0.00 2.02 -0.77 -3.48 112.91 105.08 1aro h THR 256 Ca -0.04 0.00 -0.26 0.00 0.77 0.00 0.00 66.41 66.88 1aro h THR 256 Cb 0.29 0.00 0.05 0.00 -1.74 0.00 0.00 68.15 66.75 1aro h THR 256 CO 0.06 0.00 0.07 0.54 0.37 0.00 0.00 175.52 176.56 1aro n ARG 257 N -5.51 0.18 -2.35 6.66 1.74 -1.07 -5.03 116.66 111.28 1aro n ARG 257 Ca -0.10 -1.54 -0.39 0.00 -0.77 0.00 0.00 57.85 55.05 1aro n ARG 257 Cb 0.43 -0.39 -0.03 0.00 -1.02 0.00 0.00 32.46 31.45 1aro n ARG 257 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1aro s ALA 258 N -3.02 2.47 -1.10 7.54 0.00 -1.26 -4.65 121.76 121.75 1aro s ALA 258 Ca 0.38 -1.27 -0.24 0.00 0.00 0.00 0.00 51.96 50.83 1aro s ALA 258 Cb -0.02 -4.33 0.03 0.00 0.00 0.00 0.00 23.12 18.80 1aro s ALA 258 CO 0.25 -3.65 0.67 0.41 0.00 0.00 0.00 175.76 173.44 1aro n GLY 259 N 5.79 -0.99 0.27 0.00 0.00 -1.26 -4.91 105.19 104.09 1aro n GLY 259 Ca 0.15 0.42 -0.02 0.00 0.00 0.00 0.00 46.02 46.57 1aro n GLY 259 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1aro h ALA 260 N 1.51 1.21 0.00 4.61 0.00 -1.89 -3.26 119.26 121.44 1aro h ALA 260 Ca -0.69 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 53.97 1aro h ALA 260 Cb 1.40 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 19.03 1aro h ALA 260 CO 0.47 0.51 0.00 1.28 0.00 0.00 0.00 179.25 181.52 1aro n LEU 261 N -4.23 0.24 -0.22 0.00 4.77 -1.26 -4.38 117.00 111.93 1aro n LEU 261 Ca 0.02 -0.12 -0.06 0.00 -0.03 0.00 0.00 56.01 55.82 1aro n LEU 261 Cb 0.29 -0.12 -0.05 0.00 -2.33 0.00 0.00 43.42 41.21 1aro n LEU 261 CO 0.40 0.06 0.39 0.00 -1.33 0.00 0.00 177.39 176.92 1aro n ALA 262 N -0.02 -0.33 -0.33 -1.18 0.00 -1.23 -1.25 120.51 116.17 1aro n ALA 262 Ca 0.00 0.44 0.08 0.00 0.00 0.00 0.00 53.44 53.95 1aro n ALA 262 Cb 0.06 0.07 0.31 0.00 0.00 0.00 0.00 19.45 19.90 1aro n ALA 262 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1aro n GLY 263 N -1.13 2.39 3.03 0.00 0.00 -1.26 -4.75 105.19 103.47 1aro n GLY 263 Ca 0.01 -0.73 -0.34 0.00 0.00 0.00 0.00 46.02 44.96 1aro n GLY 263 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1aro s ILE 264 N -1.89 3.51 0.35 -0.61 1.01 -0.38 -5.04 121.20 118.14 1aro s ILE 264 Ca 0.44 -3.50 0.04 0.00 0.00 0.00 0.00 60.65 57.64 1aro s ILE 264 Cb 0.29 -3.28 -0.01 0.00 0.01 0.00 0.00 42.46 39.47 1aro s ILE 264 CO 0.20 -0.94 0.51 -0.44 0.00 0.00 0.00 174.94 174.28 1aro s SER 265 N -0.11 5.99 0.72 3.58 0.01 -1.26 -4.94 113.70 117.69 1aro s SER 265 Ca 0.21 -0.00 -0.16 0.00 1.31 0.00 0.00 55.95 57.31 1aro s SER 265 Cb -0.15 -1.43 0.02 0.00 0.21 0.00 0.00 66.02 64.67 1aro s SER 265 CO -0.07 -0.45 1.20 -2.65 0.41 0.00 0.00 173.24 171.67 1aro n PRO 266 N -1.74 0.68 0.28 12.44 -0.02 -1.26 -4.89 135.00 140.49 1aro n PRO 266 Ca -0.01 0.30 0.12 0.00 -2.02 0.00 0.00 63.50 61.89 1aro n PRO 266 Cb 0.58 -2.44 0.78 0.00 -0.02 0.00 0.00 33.50 32.40 1aro n PRO 266 CO 0.00 0.00 0.00 0.52 1.98 0.00 0.00 175.50 178.00 1aro h MET 267 N -0.10 0.00 -4.90 -0.52 2.86 -1.93 -3.40 114.93 106.95 1aro h MET 267 Ca -0.49 0.00 -0.64 0.00 -2.06 0.00 0.00 59.70 56.52 1aro h MET 267 Cb 1.33 0.00 -0.35 0.00 0.06 0.00 0.00 31.60 32.63 1aro h MET 267 CO 0.49 0.04 -0.85 -0.06 1.06 0.00 0.00 176.91 177.59 1aro s PHE 268 N -4.68 2.45 0.33 -0.22 0.08 -1.26 -4.73 117.98 109.94 1aro s PHE 268 Ca -0.05 -1.37 0.06 0.00 0.12 0.00 0.00 56.93 55.69 1aro s PHE 268 Cb 0.15 -1.73 -0.07 0.00 -0.57 0.00 0.00 43.02 40.81 1aro s PHE 268 CO 0.60 -0.69 -0.00 -0.65 -0.10 0.00 0.00 175.22 174.37 1aro s GLN 269 N 1.27 1.69 0.64 0.44 -0.21 -1.26 -2.95 119.66 119.28 1aro s GLN 269 Ca 0.02 -1.91 -0.15 0.00 0.02 0.00 0.00 55.36 53.33 1aro s GLN 269 Cb -0.13 -1.18 -0.01 0.00 1.00 0.00 0.00 33.01 32.68 1aro s GLN 269 CO -0.09 -0.06 1.11 -2.14 -2.12 0.00 0.00 175.29 171.98 1aro s PRO 270 N -3.78 2.91 0.46 2.91 0.02 -1.26 -4.74 135.00 131.52 1aro s PRO 270 Ca 0.33 1.39 -0.03 0.00 0.02 0.00 0.00 61.00 62.72 1aro s PRO 270 Cb 0.07 -1.96 -0.02 0.00 0.02 0.00 0.00 34.50 32.60 1aro s PRO 270 CO 0.15 -1.16 0.72 0.00 -0.33 0.00 0.00 177.00 176.37 1aro n VAL 272 N -2.15 1.27 -3.69 0.00 0.24 -1.26 -1.80 118.33 110.94 1aro n VAL 272 Ca 0.00 -1.23 -0.15 0.00 -2.04 0.00 0.00 64.34 60.93 1aro n VAL 272 Cb 0.56 0.33 -0.08 0.00 -1.47 0.00 0.00 33.84 33.18 1aro n VAL 272 CO 0.00 0.00 0.00 0.68 -2.14 0.00 0.00 176.83 175.37 1aro s VAL 273 N -1.43 0.04 0.20 3.34 -7.23 -1.26 -4.95 120.40 109.11 1aro s VAL 273 Ca 0.22 -0.33 -0.28 0.00 -1.81 0.00 0.00 61.98 59.77 1aro s VAL 273 Cb 0.14 -0.72 -0.17 0.00 0.56 0.00 0.00 36.38 36.19 1aro s VAL 273 CO 0.10 -0.18 0.58 -2.65 -0.31 0.00 0.00 175.10 172.64 1aro n PRO 274 N 1.22 0.13 0.00 4.82 -0.02 -1.26 -4.78 135.00 135.11 1aro n PRO 274 Ca -0.21 0.04 0.00 0.00 -2.02 0.00 0.00 63.50 61.32 1aro n PRO 274 Cb 0.56 -1.09 0.00 0.00 -0.02 0.00 0.00 33.50 32.95 1aro n PRO 274 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 1aro n PRO 275 N 0.99 -0.73 -4.60 0.52 -0.02 -1.26 -4.89 135.00 125.01 1aro n PRO 275 Ca 0.17 0.00 -0.34 0.00 -2.02 0.00 0.00 63.50 61.32 1aro n PRO 275 Cb 0.25 0.00 -0.12 0.00 -0.02 0.00 0.00 33.50 33.61 1aro n PRO 275 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 1aro s LYS 276 N -1.90 3.09 0.31 -0.52 2.20 -0.43 -4.72 119.74 117.77 1aro s LYS 276 Ca 0.00 -0.57 -0.29 0.00 -0.36 0.00 0.00 55.97 54.75 1aro s LYS 276 Cb 0.00 -2.67 -0.11 0.00 -1.51 0.00 0.00 37.83 33.54 1aro s LYS 276 CO 0.00 0.48 1.43 -1.25 -0.36 0.00 0.00 175.35 175.65 1aro s PRO 277 N -0.31 4.24 0.66 4.03 0.04 -1.26 -2.04 135.00 140.35 1aro s PRO 277 Ca 0.04 2.38 -0.12 0.00 0.04 0.00 0.00 61.00 63.35 1aro s PRO 277 Cb -0.13 -3.05 -0.01 0.00 0.04 0.00 0.00 34.50 31.35 1aro s PRO 277 CO 0.02 -0.40 1.05 -1.58 0.04 0.00 0.00 177.00 176.13 1aro s TRP 278 N -0.66 3.26 -0.11 0.56 0.52 -1.26 -4.77 118.94 116.47 1aro s TRP 278 Ca 0.55 1.39 -0.30 0.00 0.02 0.00 0.00 56.10 57.76 1aro s TRP 278 Cb -0.43 -2.84 0.12 0.00 -1.15 0.00 0.00 33.47 29.17 1aro s TRP 278 CO 0.52 -1.03 0.97 0.95 0.02 0.00 0.00 176.95 178.38 1aro s THR 279 N -3.01 0.00 0.00 2.01 -4.23 -1.26 -5.00 115.64 104.14 1aro s THR 279 Ca 0.58 0.00 0.00 0.00 -1.18 0.00 0.00 61.69 61.09 1aro s THR 279 Cb -0.13 -1.00 0.00 0.00 1.34 0.00 0.00 72.50 72.71 1aro s THR 279 CO 0.52 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 175.21 1aro n GLY 280 N 0.40 -0.53 0.28 3.99 0.00 -1.26 -4.47 105.19 103.59 1aro n GLY 280 Ca -0.09 -0.98 0.03 0.00 0.00 0.00 0.00 46.02 44.98 1aro n GLY 280 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1aro n ILE 281 N -1.38 0.20 -4.00 -0.61 -5.35 -1.26 -4.91 119.36 102.05 1aro n ILE 281 Ca 0.00 -0.60 -0.08 0.00 -0.27 0.00 0.00 62.75 61.80 1aro n ILE 281 Cb 0.00 1.01 -0.09 0.00 -1.74 0.00 0.00 39.64 38.82 1aro n ILE 281 CO 0.00 0.00 0.00 0.42 -1.76 0.00 0.00 176.55 175.21 1aro s THR 282 N -0.63 0.19 -0.31 7.28 -4.23 -1.26 -0.83 115.64 115.85 1aro s THR 282 Ca 0.09 -1.57 -0.07 0.00 -1.18 0.00 0.00 61.69 58.96 1aro s THR 282 Cb 0.06 -1.47 0.01 0.00 1.34 0.00 0.00 72.50 72.44 1aro s THR 282 CO 0.08 -0.85 0.27 0.61 -0.54 0.00 0.00 174.62 174.19 1aro n GLY 283 N 0.04 -2.56 3.59 3.99 0.00 -0.02 -3.35 105.19 106.87 1aro n GLY 283 Ca -0.14 0.71 -0.12 0.00 0.00 0.00 0.00 46.02 46.48 1aro n GLY 283 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1aro s GLY 284 N -1.88 0.95 0.00 -0.02 0.00 -1.26 -3.96 107.32 101.14 1aro s GLY 284 Ca 0.11 -1.15 0.00 0.00 0.00 0.00 0.00 44.72 43.68 1aro s GLY 284 CO 0.65 -0.73 0.00 0.61 0.00 0.00 0.00 173.10 173.63 1aro n GLY 285 N -0.50 0.50 3.94 0.20 0.00 -0.87 -4.70 105.19 103.76 1aro n GLY 285 Ca -0.02 -0.01 -0.25 0.00 0.00 0.00 0.00 46.02 45.75 1aro n GLY 285 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1aro s TYR 286 N 0.00 3.06 -0.13 1.61 2.02 -1.26 -1.31 117.35 121.33 1aro s TYR 286 Ca 0.00 0.40 -0.05 0.00 -0.37 0.00 0.00 57.07 57.04 1aro s TYR 286 Cb 0.00 -2.84 -0.06 0.00 -0.40 0.00 0.00 41.96 38.66 1aro s TYR 286 CO 0.00 -0.97 -0.16 0.91 -1.57 0.00 0.00 175.55 173.76 1aro n TRP 287 N -2.59 0.00 -1.43 2.71 7.02 -1.26 -4.65 117.44 117.25 1aro n TRP 287 Ca 0.06 0.00 -0.60 0.00 -1.02 0.00 0.00 57.50 55.94 1aro n TRP 287 Cb 0.59 -0.48 -0.10 0.00 -2.42 0.00 0.00 31.31 28.90 1aro n TRP 287 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1aro n ALA 288 N -3.46 -0.61 0.30 6.99 0.00 -1.26 -4.81 120.51 117.65 1aro n ALA 288 Ca -0.25 0.34 0.14 0.00 0.00 0.00 0.00 53.44 53.66 1aro n ALA 288 Cb 0.69 -1.87 0.36 0.00 0.00 0.00 0.00 19.45 18.64 1aro n ALA 288 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 177.50 176.53 1aro h ASN 289 N 6.37 0.00 -1.01 0.00 -0.00 -1.93 -3.28 115.58 115.73 1aro h ASN 289 Ca -0.27 0.00 -0.63 0.00 -0.00 0.00 0.00 56.30 55.40 1aro h ASN 289 Cb 1.31 0.00 -0.13 0.00 -0.00 0.00 0.00 38.32 39.49 1aro h ASN 289 CO 0.96 0.00 1.68 0.61 -0.00 0.00 0.00 177.43 180.69 1aro n GLY 290 N 0.76 4.77 3.82 1.57 0.00 -1.26 -4.80 105.19 110.06 1aro n GLY 290 Ca 0.03 -1.93 -0.06 0.00 0.00 0.00 0.00 46.02 44.06 1aro n GLY 290 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1aro s ARG 291 N -1.07 1.69 -0.24 1.61 1.70 -1.24 -4.44 118.95 116.96 1aro s ARG 291 Ca 0.57 -1.03 -0.23 0.00 -0.47 0.00 0.00 55.73 54.57 1aro s ARG 291 Cb 0.26 0.51 -0.01 0.00 -0.57 0.00 0.00 34.95 35.14 1aro s ARG 291 CO -0.13 -0.78 0.76 0.50 -1.08 0.00 0.00 175.30 174.57 1aro s ARG 292 N -2.82 4.17 0.92 3.89 3.52 -1.26 -4.95 118.95 122.41 1aro s ARG 292 Ca 0.15 0.82 -0.12 0.00 -0.13 0.00 0.00 55.73 56.46 1aro s ARG 292 Cb -0.04 -3.64 0.08 0.00 -1.56 0.00 0.00 34.95 29.79 1aro s ARG 292 CO 0.07 -0.46 0.78 -2.30 -0.81 0.00 0.00 175.30 172.57 1aro n PRO 293 N 5.83 -0.29 -3.07 5.12 -0.02 -1.26 -5.03 135.00 136.27 1aro n PRO 293 Ca 0.03 -0.03 -0.19 0.00 -2.02 0.00 0.00 63.50 61.29 1aro n PRO 293 Cb 0.48 -2.11 0.01 0.00 -0.02 0.00 0.00 33.50 31.86 1aro n PRO 293 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1aro s LEU 294 N -3.64 3.68 -0.05 2.45 1.02 -1.26 -4.71 118.68 116.16 1aro s LEU 294 Ca 0.63 -0.16 0.04 0.00 0.02 0.00 0.00 54.13 54.66 1aro s LEU 294 Cb -0.23 -2.80 -0.02 0.00 0.02 0.00 0.00 46.19 43.15 1aro s LEU 294 CO 0.62 -0.73 -0.17 0.00 0.02 0.00 0.00 176.35 176.09 1aro s ALA 295 N -2.41 2.52 0.12 4.21 0.00 -1.26 -0.84 121.76 124.10 1aro s ALA 295 Ca 0.51 -1.01 -0.27 0.00 0.00 0.00 0.00 51.96 51.20 1aro s ALA 295 Cb -0.10 -0.87 -0.07 0.00 0.00 0.00 0.00 23.12 22.08 1aro s ALA 295 CO 0.34 0.52 1.63 1.25 0.00 0.00 0.00 175.76 179.51 1aro h LEU 296 N 5.50 -0.80 -9.23 0.00 6.46 -1.33 -3.41 115.31 112.50 1aro h LEU 296 Ca -0.44 0.10 -0.67 0.00 -0.12 0.00 0.00 57.88 56.76 1aro h LEU 296 Cb 1.15 0.32 -0.15 0.00 -0.73 0.00 0.00 40.66 41.24 1aro h LEU 296 CO 0.50 -0.35 -0.61 -0.69 -0.62 0.00 0.00 178.44 176.66 1aro s VAL 297 N -6.05 4.40 -0.56 1.05 1.01 -1.26 -1.06 120.40 117.94 1aro s VAL 297 Ca -0.15 -0.20 -0.26 0.00 0.00 0.00 0.00 61.98 61.36 1aro s VAL 297 Cb 0.09 -2.88 0.04 0.00 0.00 0.00 0.00 36.38 33.62 1aro s VAL 297 CO 0.65 0.57 1.06 -0.13 0.00 0.00 0.00 175.10 177.26 1aro s ARG 298 N -0.58 3.43 0.42 2.72 0.52 0.16 -4.91 118.95 120.70 1aro s ARG 298 Ca 0.10 0.00 0.05 0.00 -0.52 0.00 0.00 55.73 55.36 1aro s ARG 298 Cb -0.12 -4.03 0.05 0.00 0.52 0.00 0.00 34.95 31.38 1aro s ARG 298 CO 0.02 -1.56 0.44 0.25 0.02 0.00 0.00 175.30 174.47 1aro n THR 299 N 6.43 0.00 -0.35 0.02 -2.24 -1.26 -3.96 114.28 112.92 1aro n THR 299 Ca 0.05 -1.56 0.08 0.00 -2.27 0.00 0.00 64.05 60.36 1aro n THR 299 Cb 0.48 -0.36 0.24 0.00 -2.10 0.00 0.00 70.33 68.59 1aro n THR 299 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1aro n HIS 300 N -1.68 0.79 0.00 4.78 1.44 -1.26 -4.99 115.22 114.31 1aro n HIS 300 Ca 0.05 -0.54 0.00 0.00 -2.01 0.00 0.00 57.72 55.22 1aro n HIS 300 Cb 0.46 -0.06 0.00 0.00 0.12 0.00 0.00 29.99 30.51 1aro n HIS 300 CO 0.00 0.00 0.00 -1.13 -2.81 0.00 0.00 176.34 172.40 1aro n SER 301 N 0.90 0.00 0.20 4.39 3.41 -1.26 -4.99 113.62 116.26 1aro n SER 301 Ca 0.18 0.00 0.17 0.00 -0.26 0.00 0.00 58.87 58.96 1aro n SER 301 Cb 0.58 0.00 0.81 0.00 -0.26 0.00 0.00 64.21 65.35 1aro n SER 301 CO 0.00 0.00 0.00 0.50 -0.16 0.00 0.00 175.04 175.38 1aro h LYS 302 N 0.00 0.00 -0.24 4.33 3.64 -1.96 -1.72 116.57 120.62 1aro h LYS 302 Ca 0.00 0.00 -0.05 0.00 -1.27 0.00 0.00 60.65 59.33 1aro h LYS 302 Cb 0.00 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 31.81 1aro h LYS 302 CO 0.00 0.00 -0.02 -0.22 -2.27 0.00 0.00 179.45 176.94 1aro h LYS 303 N 0.00 0.45 -0.44 1.90 3.64 -1.98 0.88 116.57 121.01 1aro h LYS 303 Ca 0.09 -0.15 -0.04 0.00 -1.27 0.00 0.00 60.65 59.27 1aro h LYS 303 Cb 0.51 -0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 32.27 1aro h LYS 303 CO -0.00 0.64 0.10 0.00 -2.27 0.00 0.00 179.45 177.93 1aro h ALA 304 N 0.79 0.58 -0.35 5.00 0.00 -1.73 -2.24 119.26 121.31 1aro h ALA 304 Ca 0.07 -0.20 -0.03 0.00 0.00 0.00 0.00 54.91 54.74 1aro h ALA 304 Cb 0.46 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 1aro h ALA 304 CO 0.02 0.27 0.07 1.25 0.00 0.00 0.00 179.25 180.85 1aro h LEU 305 N 0.58 0.47 -0.39 0.00 6.46 -1.27 -2.73 115.31 118.43 1aro h LEU 305 Ca 0.14 -0.07 0.00 0.00 -0.12 0.00 0.00 57.88 57.83 1aro h LEU 305 Cb 0.33 -0.12 0.00 0.00 -0.73 0.00 0.00 40.66 40.14 1aro h LEU 305 CO 0.00 0.49 0.00 0.80 -0.62 0.00 0.00 178.44 179.11 1aro n MET 306 N -4.33 0.11 -0.01 1.25 1.56 0.29 -2.98 117.12 113.00 1aro n MET 306 Ca 0.02 0.35 0.12 0.00 -0.27 0.00 0.00 57.70 57.91 1aro n MET 306 Cb 0.19 -1.71 0.63 0.00 2.15 0.00 0.00 33.22 34.49 1aro n MET 306 CO 0.00 0.00 0.00 2.89 -0.73 0.00 0.00 175.97 178.13 1aro n ARG 307 N -1.91 1.22 -0.02 2.12 1.85 -1.03 -3.40 116.66 115.49 1aro n ARG 307 Ca 0.03 -0.32 -0.12 0.00 -1.00 0.00 0.00 57.85 56.44 1aro n ARG 307 Cb 0.20 -1.39 -0.14 0.00 -1.05 0.00 0.00 32.46 30.08 1aro n ARG 307 CO 0.00 0.00 0.00 0.66 -0.01 0.00 0.00 177.63 178.28 1aro n TYR 308 N -0.53 0.99 -0.19 2.89 4.02 -1.16 -4.59 117.16 118.59 1aro n TYR 308 Ca 0.18 0.31 -0.03 0.00 -0.01 0.00 0.00 57.90 58.35 1aro n TYR 308 Cb 0.16 -1.17 -0.02 0.00 -0.02 0.00 0.00 39.34 38.29 1aro n TYR 308 CO 0.00 0.00 0.00 -1.91 -1.01 0.00 0.00 176.86 173.94 1aro n GLU 309 N -3.14 -0.17 0.01 -0.72 2.13 -1.22 0.59 120.64 118.13 1aro n GLU 309 Ca -0.22 0.72 0.13 0.00 0.66 0.00 0.00 57.16 58.45 1aro n GLU 309 Cb 1.06 -1.07 0.56 0.00 0.27 0.00 0.00 31.44 32.26 1aro n GLU 309 CO 0.00 0.00 0.00 -0.25 -0.41 0.00 0.00 177.13 176.47 1aro n ASP 310 N -4.64 0.07 -4.71 4.31 9.92 -1.26 -4.89 116.55 115.35 1aro n ASP 310 Ca 0.03 0.51 -0.42 0.00 -0.53 0.00 0.00 54.79 54.37 1aro n ASP 310 Cb 0.15 -0.53 -0.03 0.00 -0.64 0.00 0.00 41.12 40.08 1aro n ASP 310 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 1aro s VAL 311 N -3.01 3.55 -0.43 2.53 1.01 0.20 -5.03 120.40 119.22 1aro s VAL 311 Ca 0.13 1.09 -0.15 0.00 0.00 0.00 0.00 61.98 63.04 1aro s VAL 311 Cb 0.17 -3.70 0.04 0.00 0.00 0.00 0.00 36.38 32.89 1aro s VAL 311 CO 0.49 0.07 0.34 -0.47 0.00 0.00 0.00 175.10 175.53 1aro s TYR 312 N 1.34 3.23 -0.38 5.22 5.04 -1.26 -5.01 117.35 125.53 1aro s TYR 312 Ca 0.63 -0.68 0.05 0.00 -2.44 0.00 0.00 57.07 54.63 1aro s TYR 312 Cb -0.34 -2.80 0.17 0.00 0.35 0.00 0.00 41.96 39.33 1aro s TYR 312 CO 0.29 -0.67 0.49 0.00 -1.34 0.00 0.00 175.55 174.32 1aro s MET 313 N 1.71 0.69 0.11 4.97 0.23 -1.26 -5.00 119.30 120.75 1aro s MET 313 Ca 0.05 -0.48 -0.26 0.00 -1.03 0.00 0.00 55.69 53.97 1aro s MET 313 Cb -0.21 -0.32 -0.07 0.00 -1.53 0.00 0.00 34.83 32.70 1aro s MET 313 CO 0.09 -1.17 1.64 -1.35 -2.03 0.00 0.00 175.02 172.20 1aro h PRO 314 N 7.18 -0.40 -0.39 3.16 0.11 -1.95 -3.01 132.00 136.69 1aro h PRO 314 Ca 0.03 0.03 0.11 0.00 0.11 0.00 0.00 66.00 66.29 1aro h PRO 314 Cb 1.12 0.09 -0.02 0.00 0.11 0.00 0.00 31.00 32.30 1aro h PRO 314 CO 0.16 -0.27 0.41 0.93 -0.21 0.00 0.00 178.00 179.02 1aro h GLU 315 N -0.42 0.00 -0.04 1.05 4.39 -1.97 0.26 114.58 117.85 1aro h GLU 315 Ca 0.04 0.00 -0.08 0.00 0.34 0.00 0.00 59.36 59.66 1aro h GLU 315 Cb 0.46 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.12 1aro h GLU 315 CO -0.17 0.00 -0.28 0.28 -1.16 0.00 0.00 179.01 177.69 1aro h VAL 316 N 0.00 1.46 -0.09 3.13 2.07 -1.74 -0.72 116.25 120.36 1aro h VAL 316 Ca 0.19 -1.76 -0.14 0.00 0.82 0.00 0.00 66.70 65.81 1aro h VAL 316 Cb 1.00 2.46 -0.01 0.00 -1.52 0.00 0.00 31.29 33.21 1aro h VAL 316 CO -0.00 0.50 -0.56 1.88 0.02 0.00 0.00 177.57 179.41 1aro h TYR 317 N -0.28 0.36 0.79 1.57 -1.99 -1.29 -1.08 116.97 115.03 1aro h TYR 317 Ca -0.02 -0.13 -0.04 0.00 2.00 0.00 0.00 58.73 60.55 1aro h TYR 317 Cb 0.95 -0.07 0.00 0.00 2.00 0.00 0.00 36.73 39.62 1aro h TYR 317 CO 0.14 0.78 -0.44 0.87 -0.00 0.00 0.00 178.16 179.51 1aro h LYS 318 N 0.22 -1.09 -0.06 4.88 1.57 -0.98 -0.30 116.57 120.80 1aro h LYS 318 Ca 0.00 0.07 0.01 0.00 -1.87 0.00 0.00 60.65 58.87 1aro h LYS 318 Cb 1.05 0.25 -0.03 0.00 0.08 0.00 0.00 32.23 33.57 1aro h LYS 318 CO 0.09 -0.73 -0.27 0.00 -0.57 0.00 0.00 179.45 177.97 1aro h ALA 319 N -0.98 -0.66 -0.53 3.86 0.00 -1.04 0.24 119.26 120.15 1aro h ALA 319 Ca -0.10 -0.03 0.10 0.00 0.00 0.00 0.00 54.91 54.88 1aro h ALA 319 Cb 0.89 0.78 -0.11 0.00 0.00 0.00 0.00 17.79 19.36 1aro h ALA 319 CO 0.13 -0.76 -0.29 0.82 0.00 0.00 0.00 179.25 179.16 1aro h ILE 320 N -0.29 0.24 -0.80 0.00 1.08 -1.23 0.36 117.51 116.87 1aro h ILE 320 Ca 0.01 0.00 -0.01 0.00 -0.39 0.00 0.00 64.86 64.48 1aro h ILE 320 Cb 0.34 0.24 -0.04 0.00 -3.07 0.00 0.00 36.82 34.28 1aro h ILE 320 CO -0.21 0.00 0.48 0.78 -0.69 0.00 0.00 178.15 178.50 1aro h ASN 321 N -0.15 0.97 -0.22 1.72 -0.26 -0.69 -1.81 115.58 115.14 1aro h ASN 321 Ca 0.23 -0.07 -0.00 0.00 -0.56 0.00 0.00 56.30 55.89 1aro h ASN 321 Cb 0.53 -0.25 -0.01 0.00 -1.06 0.00 0.00 38.32 37.53 1aro h ASN 321 CO -0.62 0.76 0.12 0.40 -1.06 0.00 0.00 177.43 177.03 1aro h ILE 322 N 1.10 1.10 0.00 2.81 2.04 0.65 -0.94 117.51 124.27 1aro h ILE 322 Ca 0.29 -0.26 -0.00 0.00 1.00 0.00 0.00 64.86 65.88 1aro h ILE 322 Cb -0.03 0.88 -0.00 0.00 -0.74 0.00 0.00 36.82 36.93 1aro h ILE 322 CO -0.05 0.10 -0.00 0.00 0.00 0.00 0.00 178.15 178.19 1aro h ALA 323 N 1.02 1.24 0.00 1.87 0.00 -0.66 -2.46 119.26 120.26 1aro h ALA 323 Ca 0.08 -0.00 -0.22 0.00 0.00 0.00 0.00 54.91 54.76 1aro h ALA 323 Cb 0.05 -0.00 -0.03 0.00 0.00 0.00 0.00 17.79 17.80 1aro h ALA 323 CO -0.01 0.00 -1.15 0.37 0.00 0.00 0.00 179.25 178.46 1aro h GLN 324 N 0.00 0.00 0.00 0.00 4.15 -0.31 -3.33 115.11 115.62 1aro h GLN 324 Ca -0.00 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.42 1aro h GLN 324 Cb 0.01 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.70 1aro h GLN 324 CO 0.00 0.84 0.00 -0.91 -1.93 0.00 0.00 178.83 176.83 1aro h ASN 325 N 0.00 0.00 -1.19 -0.69 2.35 -1.04 -3.39 115.58 111.62 1aro h ASN 325 Ca -0.08 0.00 -0.79 0.00 -0.55 0.00 0.00 56.30 54.89 1aro h ASN 325 Cb 1.80 0.00 0.01 0.00 0.05 0.00 0.00 38.32 40.18 1aro h ASN 325 CO 0.11 0.00 0.90 0.41 -1.65 0.00 0.00 177.43 177.21 1aro n THR 326 N -3.01 0.17 -2.83 2.81 -1.04 -1.25 -4.91 114.28 104.22 1aro n THR 326 Ca 0.02 -0.05 -0.38 0.00 -2.04 0.00 0.00 64.05 61.60 1aro n THR 326 Cb 0.35 -0.95 -0.06 0.00 -1.82 0.00 0.00 70.33 67.85 1aro n THR 326 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1aro s ALA 327 N 3.85 3.31 0.30 2.41 0.00 -1.26 -4.69 121.76 125.68 1aro s ALA 327 Ca 1.03 0.50 0.03 0.00 0.00 0.00 0.00 51.96 53.52 1aro s ALA 327 Cb -1.24 -3.13 -0.04 0.00 0.00 0.00 0.00 23.12 18.71 1aro s ALA 327 CO 0.70 0.22 0.14 -1.58 0.00 0.00 0.00 175.76 175.24 1aro s TRP 328 N -1.38 1.61 0.04 0.00 0.52 -0.21 -2.24 118.94 117.27 1aro s TRP 328 Ca 0.44 -1.30 -0.27 0.00 0.02 0.00 0.00 56.10 54.99 1aro s TRP 328 Cb -0.22 -0.91 0.09 0.00 -1.15 0.00 0.00 33.47 31.28 1aro s TRP 328 CO 0.27 -0.43 0.79 -1.59 0.02 0.00 0.00 176.95 176.00 1aro s LYS 329 N -3.87 0.97 0.21 4.98 -2.85 -0.45 0.64 119.74 119.36 1aro s LYS 329 Ca 0.35 -0.31 -0.30 0.00 -1.00 0.00 0.00 55.97 54.72 1aro s LYS 329 Cb 0.06 0.45 -0.08 0.00 -2.06 0.00 0.00 37.83 36.19 1aro s LYS 329 CO 0.16 -0.41 1.07 0.42 0.10 0.00 0.00 175.35 176.69 1aro s ILE 330 N -3.13 3.84 -1.21 3.79 -1.09 -1.26 -1.08 121.20 121.06 1aro s ILE 330 Ca 0.03 1.68 -0.16 0.00 -2.23 0.00 0.00 60.65 59.97 1aro s ILE 330 Cb -0.01 -4.07 0.13 0.00 -1.58 0.00 0.00 42.46 36.93 1aro s ILE 330 CO -0.09 0.33 1.51 0.21 -1.23 0.00 0.00 174.94 175.67 1aro s ASN 331 N -0.43 6.94 0.44 3.58 3.84 -0.04 -4.85 114.94 124.42 1aro s ASN 331 Ca 0.47 -2.68 0.24 0.00 0.21 0.00 0.00 52.86 51.10 1aro s ASN 331 Cb -0.29 -2.47 1.26 0.00 -0.55 0.00 0.00 41.25 39.20 1aro s ASN 331 CO 0.36 -0.94 1.77 0.11 -2.79 0.00 0.00 177.10 175.61 1aro h LYS 332 N 7.53 0.25 -0.41 0.43 1.57 -1.89 -0.54 116.57 123.51 1aro h LYS 332 Ca 0.34 -0.01 -0.12 0.00 -1.87 0.00 0.00 60.65 58.99 1aro h LYS 332 Cb 0.89 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 33.13 1aro h LYS 332 CO 1.31 0.16 -0.24 -0.22 -0.57 0.00 0.00 179.45 179.90 1aro h LYS 333 N 0.26 0.83 -0.29 3.15 3.64 -1.99 0.45 116.57 122.61 1aro h LYS 333 Ca 0.60 -0.35 -0.15 0.00 -1.27 0.00 0.00 60.65 59.48 1aro h LYS 333 Cb 1.79 -0.03 -0.00 0.00 -0.41 0.00 0.00 32.23 33.58 1aro h LYS 333 CO -0.22 0.98 -0.41 0.28 -2.27 0.00 0.00 179.45 177.81 1aro h VAL 334 N 0.72 1.29 -0.65 2.00 2.07 -1.58 -2.98 116.25 117.12 1aro h VAL 334 Ca 0.09 -1.59 0.07 0.00 0.82 0.00 0.00 66.70 66.10 1aro h VAL 334 Cb 0.77 1.61 -0.06 0.00 -1.52 0.00 0.00 31.29 32.08 1aro h VAL 334 CO 0.06 0.52 0.33 0.25 0.02 0.00 0.00 177.57 178.75 1aro h LEU 335 N 0.56 0.44 -1.38 2.57 5.85 -0.66 -1.11 115.31 121.59 1aro h LEU 335 Ca 0.03 0.05 0.14 0.00 0.84 0.00 0.00 57.88 58.94 1aro h LEU 335 Cb 1.00 -0.03 -0.06 0.00 0.37 0.00 0.00 40.66 41.94 1aro h LEU 335 CO 0.10 0.27 0.55 0.00 -0.34 0.00 0.00 178.44 179.02 1aro h ALA 336 N 1.38 1.90 0.16 1.25 0.00 0.03 0.14 119.26 124.11 1aro h ALA 336 Ca 0.31 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.22 1aro h ALA 336 Cb 0.27 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.95 1aro h ALA 336 CO -0.23 -0.12 -0.08 0.28 0.00 0.00 0.00 179.25 179.10 1aro h VAL 337 N 0.62 0.42 -1.14 0.00 2.07 -1.23 -3.30 116.25 113.69 1aro h VAL 337 Ca 0.41 -1.06 0.32 0.00 0.82 0.00 0.00 66.70 67.19 1aro h VAL 337 Cb 0.72 0.74 -0.08 0.00 -1.52 0.00 0.00 31.29 31.14 1aro h VAL 337 CO -0.17 0.12 0.77 0.00 0.02 0.00 0.00 177.57 178.31 1aro h ALA 338 N -0.75 2.63 -0.99 1.67 0.00 -0.90 0.15 119.26 121.07 1aro h ALA 338 Ca -0.02 0.03 0.07 0.00 0.00 0.00 0.00 54.91 54.99 1aro h ALA 338 Cb 0.37 0.07 -0.07 0.00 0.00 0.00 0.00 17.79 18.16 1aro h ALA 338 CO 0.04 -1.04 0.64 -0.91 0.00 0.00 0.00 179.25 177.97 1aro h ASN 339 N 0.21 1.01 0.01 0.00 2.35 -0.81 -2.96 115.58 115.39 1aro h ASN 339 Ca 0.62 0.01 -0.30 0.00 -0.55 0.00 0.00 56.30 56.09 1aro h ASN 339 Cb 1.94 -0.20 -0.04 0.00 0.05 0.00 0.00 38.32 40.07 1aro h ASN 339 CO -0.21 0.63 -1.62 0.52 -1.65 0.00 0.00 177.43 175.10 1aro n VAL 340 N -4.50 1.54 -0.25 2.81 0.31 0.44 -4.48 118.33 114.21 1aro n VAL 340 Ca 0.15 -0.15 0.15 0.00 -0.01 0.00 0.00 64.34 64.49 1aro n VAL 340 Cb 0.20 -1.98 0.44 0.00 -0.91 0.00 0.00 33.84 31.59 1aro n VAL 340 CO 0.00 0.00 0.00 0.40 -1.32 0.00 0.00 176.83 175.91 1aro h ILE 341 N -0.94 0.77 0.00 2.52 2.04 -1.47 -1.70 117.51 118.73 1aro h ILE 341 Ca -0.44 -0.19 0.00 0.00 1.00 0.00 0.00 64.86 65.23 1aro h ILE 341 Cb 1.42 0.16 0.00 0.00 -0.74 0.00 0.00 36.82 37.66 1aro h ILE 341 CO -0.25 0.10 0.00 0.35 0.00 0.00 0.00 178.15 178.35 1aro n THR 342 N -4.54 0.09 -0.05 -0.27 -2.24 -1.12 -2.80 114.28 103.35 1aro n THR 342 Ca 0.18 0.02 -0.04 0.00 -2.27 0.00 0.00 64.05 61.94 1aro n THR 342 Cb 0.56 -0.83 -0.08 0.00 -2.10 0.00 0.00 70.33 67.88 1aro n THR 342 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1aro n LYS 343 N -1.04 2.07 -0.26 -0.78 4.01 -0.64 -5.08 118.16 116.45 1aro n LYS 343 Ca 0.09 -0.02 -0.09 0.00 -0.51 0.00 0.00 58.31 57.78 1aro n LYS 343 Cb 0.05 -1.27 -0.08 0.00 -0.51 0.00 0.00 35.03 33.22 1aro n LYS 343 CO 0.00 0.00 0.00 -1.49 -1.11 0.00 0.00 177.40 174.80 1aro h TRP 344 N 0.00 -1.44 0.00 2.13 4.06 -1.56 -3.51 115.95 115.63 1aro h TRP 344 Ca -0.25 0.09 0.00 0.00 2.06 0.00 0.00 58.89 60.79 1aro h TRP 344 Cb 1.52 0.71 0.00 0.00 -1.00 0.00 0.00 29.16 30.39 1aro h TRP 344 CO 0.00 -0.32 -0.16 0.28 -3.56 0.00 0.00 178.44 174.68 1aro n VAL 384 N -4.77 0.86 -0.08 1.49 0.31 -1.26 -5.63 118.33 109.25 1aro n VAL 384 Ca 0.00 0.27 -0.04 0.00 -0.01 0.00 0.00 64.34 64.56 1aro n VAL 384 Cb 0.22 -1.55 0.16 0.00 -0.91 0.00 0.00 33.84 31.77 1aro n VAL 384 CO 0.00 0.00 0.00 0.22 -1.32 0.00 0.00 176.83 175.73 1aro h TYR 385 N -0.16 0.79 0.00 3.52 3.20 -2.07 -1.87 116.97 120.38 1aro h TYR 385 Ca 0.00 -0.13 0.00 0.00 3.14 0.00 0.00 58.73 61.74 1aro h TYR 385 Cb 0.16 -0.21 0.00 0.00 1.54 0.00 0.00 36.73 38.22 1aro h TYR 385 CO -0.07 0.78 0.00 0.00 -1.64 0.00 0.00 178.16 177.23 1aro h ARG 386 N 0.68 0.00 -0.76 1.82 3.08 -2.07 -3.16 114.38 113.96 1aro h ARG 386 Ca 0.12 0.00 -0.50 0.00 0.07 0.00 0.00 59.98 59.67 1aro h ARG 386 Cb 0.51 0.00 -0.42 0.00 0.08 0.00 0.00 29.97 30.14 1aro h ARG 386 CO 0.03 0.00 -0.87 1.63 -1.07 0.00 0.00 179.97 179.69 1aro n LYS 387 N -2.81 3.25 0.00 0.04 5.02 -0.88 -4.47 118.16 118.32 1aro n LYS 387 Ca 0.02 -4.07 0.00 0.00 -2.02 0.00 0.00 58.31 52.24 1aro n LYS 387 Cb 0.35 -2.15 0.00 0.00 -0.02 0.00 0.00 35.03 33.21 1aro n LYS 387 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 1aro n ASP 388 N -0.66 2.95 -0.06 4.39 2.03 -0.76 -4.53 116.55 119.91 1aro n ASP 388 Ca 0.37 -0.17 -0.14 0.00 0.52 0.00 0.00 54.79 55.37 1aro n ASP 388 Cb 0.92 0.93 -0.07 0.00 -0.72 0.00 0.00 41.12 42.18 1aro n ASP 388 CO 0.00 0.00 0.00 0.50 -1.92 0.00 0.00 177.20 175.78 1aro h LYS 389 N 0.00 0.57 -0.25 -0.67 1.63 -1.78 -2.83 116.57 113.23 1aro h LYS 389 Ca 0.00 -0.37 -0.09 0.00 -0.85 0.00 0.00 60.65 59.34 1aro h LYS 389 Cb 0.00 0.05 -0.01 0.00 -0.60 0.00 0.00 32.23 31.66 1aro h LYS 389 CO 0.00 0.99 -0.22 0.00 -3.45 0.00 0.00 179.45 176.77 1aro h ALA 390 N 0.58 1.15 -0.33 5.00 0.00 -1.84 -2.48 119.26 121.35 1aro h ALA 390 Ca 0.00 -0.32 -0.03 0.00 0.00 0.00 0.00 54.91 54.57 1aro h ALA 390 Cb 0.97 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.62 1aro h ALA 390 CO 0.08 0.53 0.10 -0.09 0.00 0.00 0.00 179.25 179.87 1aro h ARG 391 N 0.42 0.51 0.00 0.00 1.12 -1.79 0.99 114.38 115.64 1aro h ARG 391 Ca 0.07 -0.11 0.00 0.00 -1.11 0.00 0.00 59.98 58.82 1aro h ARG 391 Cb 0.61 -0.07 0.00 0.00 -0.01 0.00 0.00 29.97 30.50 1aro h ARG 391 CO 0.04 0.56 0.00 0.87 -3.11 0.00 0.00 179.97 178.33 1aro h LYS 392 N 0.37 0.00 0.00 0.20 1.57 -1.28 -3.14 116.57 114.30 1aro h LYS 392 Ca 0.10 0.00 -0.25 0.00 -1.87 0.00 0.00 60.65 58.64 1aro h LYS 392 Cb 0.26 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 32.53 1aro h LYS 392 CO -0.00 0.00 -1.93 -1.13 -0.57 0.00 0.00 179.45 175.81 1aro n SER 393 N -2.46 2.13 0.12 0.86 3.41 -0.95 -4.32 113.62 112.39 1aro n SER 393 Ca 0.02 -0.04 0.10 0.00 -0.26 0.00 0.00 58.87 58.69 1aro n SER 393 Cb 0.27 0.37 0.46 0.00 -0.26 0.00 0.00 64.21 65.05 1aro n SER 393 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1aro n ARG 394 N -2.70 0.13 0.00 4.33 1.74 0.34 -2.25 116.66 118.25 1aro n ARG 394 Ca -0.25 0.50 -0.17 0.00 -0.77 0.00 0.00 57.85 57.16 1aro n ARG 394 Cb 0.89 -1.83 -0.13 0.00 -1.02 0.00 0.00 32.46 30.37 1aro n ARG 394 CO 0.00 0.00 0.00 -0.09 -1.52 0.00 0.00 177.63 176.02 1aro h ARG 395 N 0.00 0.25 -0.03 5.56 1.12 -1.73 -1.06 114.38 118.49 1aro h ARG 395 Ca 0.00 -0.33 -0.05 0.00 -1.11 0.00 0.00 59.98 58.49 1aro h ARG 395 Cb 0.16 0.11 -0.01 0.00 -0.01 0.00 0.00 29.97 30.22 1aro h ARG 395 CO 0.00 1.08 -0.21 0.82 -3.11 0.00 0.00 179.97 178.55 1aro h ILE 396 N -0.42 1.17 0.03 1.20 1.08 -1.64 -0.99 117.51 117.93 1aro h ILE 396 Ca -0.07 -0.78 -0.23 0.00 -0.39 0.00 0.00 64.86 63.38 1aro h ILE 396 Cb 1.29 1.38 0.00 0.00 -3.07 0.00 0.00 36.82 36.42 1aro h ILE 396 CO 0.09 0.23 -1.00 -1.28 -0.69 0.00 0.00 178.15 175.50 1aro h SER 397 N 0.04 0.50 0.54 1.72 0.87 -1.53 0.32 113.55 116.02 1aro h SER 397 Ca 0.01 -0.43 -0.03 0.00 -1.23 0.00 0.00 61.79 60.11 1aro h SER 397 Cb 0.40 -0.16 0.00 0.00 -0.44 0.00 0.00 62.40 62.20 1aro h SER 397 CO 0.03 1.25 -0.27 0.25 -0.53 0.00 0.00 176.83 177.55 1aro h LEU 398 N 0.19 -0.65 -0.93 2.23 5.85 -0.34 -1.92 115.31 119.75 1aro h LEU 398 Ca -0.09 0.03 0.04 0.00 0.84 0.00 0.00 57.88 58.69 1aro h LEU 398 Cb 1.66 0.17 -0.06 0.00 0.37 0.00 0.00 40.66 42.80 1aro h LEU 398 CO 0.17 -0.46 0.60 -0.33 -0.34 0.00 0.00 178.44 178.09 1aro h GLU 399 N -0.75 1.12 -0.26 1.25 4.39 -1.23 -1.11 114.58 118.00 1aro h GLU 399 Ca -0.07 -0.07 -0.01 0.00 0.34 0.00 0.00 59.36 59.55 1aro h GLU 399 Cb 0.58 -0.25 -0.01 0.00 -0.10 0.00 0.00 28.75 28.96 1aro h GLU 399 CO 0.11 0.74 0.12 0.74 -1.16 0.00 0.00 179.01 179.56 1aro h PHE 400 N 1.16 0.35 -0.38 4.33 0.04 -0.67 -1.97 116.94 119.79 1aro h PHE 400 Ca 0.37 -0.00 0.00 0.00 2.80 0.00 0.00 57.97 61.14 1aro h PHE 400 Cb 0.02 -0.11 0.00 0.00 2.20 0.00 0.00 35.95 38.06 1aro h PHE 400 CO -0.01 0.27 0.00 -1.33 -0.60 0.00 0.00 178.31 176.64 1aro n MET 401 N -4.44 2.40 -0.00 1.51 2.81 -0.50 -2.97 117.12 115.93 1aro n MET 401 Ca 0.01 -2.12 0.07 0.00 -1.81 0.00 0.00 57.70 53.85 1aro n MET 401 Cb 0.12 -1.50 -0.09 0.00 -0.71 0.00 0.00 33.22 31.04 1aro n MET 401 CO 0.00 0.00 0.00 1.28 1.51 0.00 0.00 175.97 178.76 1aro n LEU 402 N 1.32 0.39 0.03 4.03 4.77 -0.73 -3.29 117.00 123.52 1aro n LEU 402 Ca 0.19 -0.30 -0.07 0.00 -0.03 0.00 0.00 56.01 55.81 1aro n LEU 402 Cb 0.56 0.00 -0.12 0.00 -2.33 0.00 0.00 43.42 41.53 1aro n LEU 402 CO 0.15 0.10 -0.17 -0.33 -1.33 0.00 0.00 177.39 175.81 1aro h GLU 403 N 0.00 0.00 0.08 3.23 4.39 -1.39 -3.18 114.58 117.71 1aro h GLU 403 Ca 0.00 0.00 -0.10 0.00 0.34 0.00 0.00 59.36 59.60 1aro h GLU 403 Cb 0.46 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 29.12 1aro h GLU 403 CO 0.00 0.68 -0.44 1.96 -1.16 0.00 0.00 179.01 180.05 1aro h GLN 404 N 0.00 0.16 -0.78 2.33 1.08 -1.68 -2.75 115.11 113.47 1aro h GLN 404 Ca -0.15 -0.27 0.09 0.00 -1.45 0.00 0.00 58.65 56.87 1aro h GLN 404 Cb 1.84 0.10 -0.07 0.00 -0.05 0.00 0.00 27.48 29.30 1aro h GLN 404 CO 0.10 1.13 0.43 0.00 -0.95 0.00 0.00 178.83 179.53 1aro h ALA 405 N 0.04 1.10 -0.55 3.87 0.00 -1.69 -0.44 119.26 121.59 1aro h ALA 405 Ca -0.08 0.04 -0.11 0.00 0.00 0.00 0.00 54.91 54.76 1aro h ALA 405 Cb 1.35 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 19.02 1aro h ALA 405 CO 0.08 0.04 -0.08 -0.91 0.00 0.00 0.00 179.25 178.39 1aro h ASN 406 N 0.72 1.02 -0.99 0.00 -0.26 -1.67 -1.61 115.58 112.79 1aro h ASN 406 Ca 0.38 -0.34 0.16 0.00 -0.56 0.00 0.00 56.30 55.94 1aro h ASN 406 Cb 0.37 -0.28 -0.10 0.00 -1.06 0.00 0.00 38.32 37.25 1aro h ASN 406 CO -0.25 1.12 0.60 0.50 -1.06 0.00 0.00 177.43 178.33 1aro h LYS 407 N 0.90 0.80 -0.22 0.81 3.64 -0.77 -2.21 116.57 119.52 1aro h LYS 407 Ca 0.15 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.48 1aro h LYS 407 Cb 0.64 -0.18 0.00 0.00 -0.41 0.00 0.00 32.23 32.28 1aro h LYS 407 CO 0.04 0.53 0.00 1.19 -2.27 0.00 0.00 179.45 178.94 1aro n PHE 408 N -4.73 0.62 -0.21 1.91 3.01 -1.00 -4.73 117.46 112.33 1aro n PHE 408 Ca 0.21 -0.77 0.26 0.00 1.01 0.00 0.00 57.45 58.16 1aro n PHE 408 Cb 0.49 -0.20 0.65 0.00 -0.01 0.00 0.00 39.48 40.42 1aro n PHE 408 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1aro h ALA 409 N 1.46 2.64 0.00 4.37 0.00 -0.63 -1.97 119.26 125.13 1aro h ALA 409 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1aro h ALA 409 Cb 1.13 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.96 1aro h ALA 409 CO 0.12 -0.91 -1.69 0.09 0.00 0.00 0.00 179.25 176.86 1aro n ASN 410 N -4.36 0.27 -4.64 0.00 3.02 -1.26 -4.69 115.26 103.60 1aro n ASN 410 Ca 0.19 -0.14 -0.48 0.00 -0.03 0.00 0.00 54.58 54.12 1aro n ASN 410 Cb 0.89 1.63 -0.05 0.00 -0.61 0.00 0.00 39.78 41.64 1aro n ASN 410 CO 0.00 0.00 0.00 1.41 -2.62 0.00 0.00 177.26 176.05 1aro n HIS 411 N -2.16 2.01 0.26 3.10 8.25 -0.74 -4.76 115.22 121.17 1aro n HIS 411 Ca -0.02 0.40 0.15 0.00 -0.26 0.00 0.00 57.72 57.99 1aro n HIS 411 Cb 0.52 -2.47 0.81 0.00 1.12 0.00 0.00 29.99 29.98 1aro n HIS 411 CO 0.00 0.00 0.00 0.87 0.64 0.00 0.00 176.34 177.85 1aro h LYS 412 N 5.44 0.00 -1.94 -0.41 6.56 -1.93 -3.45 116.57 120.85 1aro h LYS 412 Ca -0.46 0.00 0.22 0.00 -1.06 0.00 0.00 60.65 59.36 1aro h LYS 412 Cb 1.28 0.00 -0.12 0.00 -0.57 0.00 0.00 32.23 32.82 1aro h LYS 412 CO 0.85 0.00 0.64 0.00 -2.06 0.00 0.00 179.45 178.88 1aro s ALA 413 N -3.83 -1.92 0.02 3.86 0.00 -1.26 -4.84 121.76 113.78 1aro s ALA 413 Ca -0.03 0.62 -0.22 0.00 0.00 0.00 0.00 51.96 52.33 1aro s ALA 413 Cb 0.09 0.42 0.05 0.00 0.00 0.00 0.00 23.12 23.68 1aro s ALA 413 CO 0.27 -0.94 0.51 0.96 0.00 0.00 0.00 175.76 176.56 1aro s ILE 414 N -2.88 0.03 0.33 0.00 -4.36 0.21 -4.84 121.20 109.68 1aro s ILE 414 Ca 0.11 -0.26 0.07 0.00 -0.26 0.00 0.00 60.65 60.32 1aro s ILE 414 Cb 0.01 -0.92 -0.06 0.00 1.25 0.00 0.00 42.46 42.73 1aro s ILE 414 CO -0.02 -0.14 -0.04 0.26 0.24 0.00 0.00 174.94 175.23 1aro s TRP 415 N -2.02 2.18 -0.16 1.37 0.51 -0.75 -1.05 118.94 119.03 1aro s TRP 415 Ca -0.08 -0.67 -0.03 0.00 -2.12 0.00 0.00 56.10 53.21 1aro s TRP 415 Cb -0.01 -1.33 0.05 0.00 -0.81 0.00 0.00 33.47 31.37 1aro s TRP 415 CO 0.02 0.36 0.03 -0.06 -0.51 0.00 0.00 176.95 176.79 1aro s PHE 416 N -2.88 0.85 0.64 -1.98 0.40 -1.26 -0.87 117.98 112.88 1aro s PHE 416 Ca 0.32 -0.63 -0.17 0.00 -0.60 0.00 0.00 56.93 55.85 1aro s PHE 416 Cb 0.05 -0.94 -0.01 0.00 0.51 0.00 0.00 43.02 42.63 1aro s PHE 416 CO 0.15 -0.53 1.18 -1.25 0.70 0.00 0.00 175.22 175.47 1aro s PRO 417 N 1.92 2.76 0.24 0.24 0.04 -1.26 -4.75 135.00 134.19 1aro s PRO 417 Ca 0.01 1.70 0.08 0.00 0.04 0.00 0.00 61.00 62.83 1aro s PRO 417 Cb -0.16 -1.92 -0.05 0.00 0.04 0.00 0.00 34.50 32.42 1aro s PRO 417 CO -0.07 -1.34 -0.13 0.71 0.04 0.00 0.00 177.00 176.20 1aro s TYR 418 N -1.86 1.90 0.36 0.56 1.51 -1.26 -1.91 117.35 116.65 1aro s TYR 418 Ca 0.74 -0.56 0.06 0.00 -1.01 0.00 0.00 57.07 56.30 1aro s TYR 418 Cb -0.27 -0.93 -0.03 0.00 -0.11 0.00 0.00 41.96 40.61 1aro s TYR 418 CO 0.37 0.41 0.21 -0.80 -1.11 0.00 0.00 175.55 174.64 1aro s ASN 419 N -3.40 2.05 0.14 2.29 0.02 0.22 -4.88 114.94 111.39 1aro s ASN 419 Ca 0.26 -1.71 0.04 0.00 -1.02 0.00 0.00 52.86 50.43 1aro s ASN 419 Cb -0.00 0.54 -0.04 0.00 0.02 0.00 0.00 41.25 41.76 1aro s ASN 419 CO 0.10 -1.01 -0.10 -0.04 0.02 0.00 0.00 177.10 176.08 1aro s MET 420 N -3.58 1.02 0.88 -0.60 -1.94 -0.22 -0.40 119.30 114.46 1aro s MET 420 Ca 0.34 -1.42 -0.12 0.00 -1.71 0.00 0.00 55.69 52.78 1aro s MET 420 Cb 0.03 -0.58 0.16 0.00 2.01 0.00 0.00 34.83 36.45 1aro s MET 420 CO 0.22 0.07 1.23 -0.51 -0.01 0.00 0.00 175.02 176.01 1aro s ASP 421 N -3.10 3.61 0.04 3.03 1.01 -0.49 0.36 116.67 121.14 1aro s ASP 421 Ca 0.15 0.22 0.27 0.00 0.71 0.00 0.00 52.55 53.90 1aro s ASP 421 Cb 0.02 -0.42 0.88 0.00 1.01 0.00 0.00 42.92 44.42 1aro s ASP 421 CO -0.00 -2.41 1.70 -2.67 0.21 0.00 0.00 175.17 172.01 1aro n TRP 422 N -3.49 0.18 0.90 4.23 4.27 -1.25 -3.05 117.44 119.23 1aro n TRP 422 Ca 0.14 0.05 0.10 0.00 -3.89 0.00 0.00 57.50 53.90 1aro n TRP 422 Cb 0.60 -0.51 -0.02 0.00 -1.36 0.00 0.00 31.31 30.02 1aro n TRP 422 CO 0.00 0.00 0.00 0.54 -2.29 0.00 0.00 177.69 175.94 1aro n ARG 423 N -1.67 1.30 0.00 -2.67 1.74 -1.26 -4.54 116.66 109.56 1aro n ARG 423 Ca 0.06 -0.82 0.00 0.00 -0.77 0.00 0.00 57.85 56.32 1aro n ARG 423 Cb 0.36 -1.40 0.00 0.00 -1.02 0.00 0.00 32.46 30.40 1aro n ARG 423 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1aro n GLY 424 N 1.34 3.55 2.03 -0.13 0.00 -1.17 -4.14 105.19 106.67 1aro n GLY 424 Ca 0.08 -0.83 -0.29 0.00 0.00 0.00 0.00 46.02 44.98 1aro n GLY 424 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1aro n ARG 425 N 0.00 0.00 -3.60 1.61 1.74 -1.26 -4.08 116.66 111.07 1aro n ARG 425 Ca 0.00 0.00 -0.38 0.00 -0.77 0.00 0.00 57.85 56.70 1aro n ARG 425 Cb 0.00 -0.62 -0.11 0.00 -1.02 0.00 0.00 32.46 30.72 1aro n ARG 425 CO 0.00 0.00 0.00 0.14 -1.52 0.00 0.00 177.63 176.25 1aro s VAL 426 N -0.56 5.29 0.07 1.55 -7.23 -1.26 -1.39 120.40 116.86 1aro s VAL 426 Ca 0.39 0.16 0.06 0.00 -1.81 0.00 0.00 61.98 60.78 1aro s VAL 426 Cb -0.57 -3.51 -0.04 0.00 0.56 0.00 0.00 36.38 32.82 1aro s VAL 426 CO 0.33 0.26 -0.09 -0.31 -0.31 0.00 0.00 175.10 174.99 1aro s TYR 427 N 1.69 2.79 -0.20 2.82 1.51 0.46 -4.92 117.35 121.50 1aro s TYR 427 Ca 0.07 -0.12 -0.17 0.00 -1.01 0.00 0.00 57.07 55.84 1aro s TYR 427 Cb -0.16 -1.49 -0.04 0.00 -0.11 0.00 0.00 41.96 40.16 1aro s TYR 427 CO 0.10 0.40 0.45 0.00 -1.11 0.00 0.00 175.55 175.39 1aro s ALA 428 N -1.13 3.55 0.19 3.71 0.00 -1.26 0.72 121.76 127.53 1aro s ALA 428 Ca 0.20 -0.46 -0.12 0.00 0.00 0.00 0.00 51.96 51.58 1aro s ALA 428 Cb -0.11 -2.70 0.21 0.00 0.00 0.00 0.00 23.12 20.52 1aro s ALA 428 CO 0.12 -0.34 1.74 0.28 0.00 0.00 0.00 175.76 177.56 1aro h VAL 429 N 5.05 0.80 -4.07 0.00 2.07 -1.72 -3.45 116.25 114.92 1aro h VAL 429 Ca -0.35 -0.13 -0.48 0.00 0.82 0.00 0.00 66.70 66.56 1aro h VAL 429 Cb 1.16 0.40 0.05 0.00 -1.52 0.00 0.00 31.29 31.38 1aro h VAL 429 CO 0.73 0.07 0.41 -0.94 0.02 0.00 0.00 177.57 177.85 1aro s SER 430 N -5.38 6.09 0.14 0.57 1.04 -1.26 -4.88 113.70 110.01 1aro s SER 430 Ca -0.13 2.04 -0.18 0.00 0.48 0.00 0.00 55.95 58.17 1aro s SER 430 Cb 0.16 -2.57 -0.01 0.00 0.10 0.00 0.00 66.02 63.70 1aro s SER 430 CO 0.74 -0.96 1.78 -0.03 0.98 0.00 0.00 173.24 175.75 1aro h MET 431 N 1.44 0.36 -5.95 4.02 4.05 -1.84 -3.36 114.93 113.64 1aro h MET 431 Ca -0.50 -0.02 -0.59 0.00 -0.28 0.00 0.00 59.70 58.31 1aro h MET 431 Cb 1.24 -0.08 -0.08 0.00 -0.80 0.00 0.00 31.60 31.87 1aro h MET 431 CO 0.58 0.24 0.57 0.12 0.23 0.00 0.00 176.91 178.65 1aro s PHE 432 N -6.17 3.22 0.25 1.39 5.36 -1.26 -5.00 117.98 115.78 1aro s PHE 432 Ca -0.13 1.05 -0.17 0.00 -0.96 0.00 0.00 56.93 56.72 1aro s PHE 432 Cb 0.10 -3.32 0.01 0.00 -0.34 0.00 0.00 43.02 39.47 1aro s PHE 432 CO 0.71 -0.58 0.59 0.54 -1.46 0.00 0.00 175.22 175.02 1aro s ASN 433 N 1.53 -0.19 0.00 6.13 6.03 -1.26 -4.76 114.94 122.41 1aro s ASN 433 Ca 0.38 -0.72 0.04 0.00 -1.03 0.00 0.00 52.86 51.52 1aro s ASN 433 Cb -0.14 0.65 0.22 0.00 -3.03 0.00 0.00 41.25 38.95 1aro s ASN 433 CO 0.12 -1.22 0.72 -0.81 -2.03 0.00 0.00 177.10 173.87 1aro n PRO 434 N -0.41 0.53 -2.69 3.55 -0.04 -1.26 -3.79 135.00 130.88 1aro n PRO 434 Ca -0.04 0.00 -0.31 0.00 -0.04 0.00 0.00 63.50 63.11 1aro n PRO 434 Cb 0.61 -1.11 -0.01 0.00 -0.04 0.00 0.00 33.50 32.95 1aro n PRO 434 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 1aro n GLN 435 N -0.61 3.76 0.00 0.54 6.02 -1.26 -4.77 117.38 121.06 1aro n GLN 435 Ca 0.03 -4.64 0.00 0.00 -0.01 0.00 0.00 57.00 52.38 1aro n GLN 435 Cb 0.01 -2.30 0.00 0.00 1.02 0.00 0.00 30.24 28.97 1aro n GLN 435 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1aro n GLY 436 N -0.27 5.85 3.38 1.08 0.00 -1.25 -4.98 105.19 109.00 1aro n GLY 436 Ca 0.38 -1.55 -0.29 0.00 0.00 0.00 0.00 46.02 44.56 1aro n GLY 436 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1aro n ASN 437 N 0.00 -2.54 0.24 1.61 0.23 -1.26 -4.57 115.26 108.96 1aro n ASN 437 Ca 0.00 -0.39 0.10 0.00 -0.53 0.00 0.00 54.58 53.76 1aro n ASN 437 Cb 0.00 -1.17 0.59 0.00 -2.08 0.00 0.00 39.78 37.12 1aro n ASN 437 CO 0.00 0.00 0.00 -2.24 -0.93 0.00 0.00 177.26 174.09 1aro h ASP 438 N -2.98 0.00 -0.24 0.53 2.03 -1.99 -1.37 116.42 112.40 1aro h ASP 438 Ca -0.57 0.00 -0.07 0.00 -0.73 0.00 0.00 57.03 55.65 1aro h ASP 438 Cb 1.34 0.00 -0.02 0.00 -0.83 0.00 0.00 39.33 39.82 1aro h ASP 438 CO 0.43 0.19 -0.08 -0.03 -1.03 0.00 0.00 179.24 178.72 1aro h MET 439 N 0.00 0.62 -0.07 4.15 4.05 -1.95 0.43 114.93 122.17 1aro h MET 439 Ca -0.00 -0.18 -0.14 0.00 -0.28 0.00 0.00 59.70 59.10 1aro h MET 439 Cb 0.51 -0.07 0.01 0.00 -0.80 0.00 0.00 31.60 31.25 1aro h MET 439 CO 0.03 0.70 -0.50 1.15 0.23 0.00 0.00 176.91 178.51 1aro h THR 440 N 0.57 1.40 -0.70 -0.77 2.02 -1.77 -1.36 112.91 112.30 1aro h THR 440 Ca 0.11 -1.89 0.11 0.00 0.77 0.00 0.00 66.41 65.51 1aro h THR 440 Cb 0.48 2.34 -0.05 0.00 -1.74 0.00 0.00 68.15 69.19 1aro h THR 440 CO 0.03 0.56 0.47 0.11 0.37 0.00 0.00 175.52 177.05 1aro h LYS 441 N 0.00 0.49 0.19 6.66 1.57 -0.55 -2.53 116.57 122.41 1aro h LYS 441 Ca -0.04 -0.03 -0.32 0.00 -1.87 0.00 0.00 60.65 58.38 1aro h LYS 441 Cb 1.17 -0.11 0.02 0.00 0.08 0.00 0.00 32.23 33.38 1aro h LYS 441 CO 0.10 0.33 -1.51 0.78 -0.57 0.00 0.00 179.45 178.58 1aro h GLY 442 N 0.51 0.46 1.59 3.86 0.00 -0.07 -3.29 103.07 106.12 1aro h GLY 442 Ca 0.33 -1.16 0.00 0.00 0.00 0.00 0.00 47.33 46.50 1aro h GLY 442 CO -0.11 1.02 0.00 1.04 0.00 0.00 0.00 176.54 178.49 1aro n LEU 443 N -3.60 0.00 -4.47 3.11 4.77 -0.52 -4.58 117.00 111.72 1aro n LEU 443 Ca -0.17 0.29 -0.26 0.00 -0.03 0.00 0.00 56.01 55.85 1aro n LEU 443 Cb 1.07 -0.29 -0.11 0.00 -2.33 0.00 0.00 43.42 41.76 1aro n LEU 443 CO 0.55 -0.24 -0.49 -0.76 -1.33 0.00 0.00 177.39 175.12 1aro s LEU 444 N -2.59 2.58 -0.16 2.23 1.43 -1.15 -0.86 118.68 120.16 1aro s LEU 444 Ca 0.05 -0.89 -0.29 0.00 -1.03 0.00 0.00 54.13 51.97 1aro s LEU 444 Cb 0.04 -1.21 0.11 0.00 0.03 0.00 0.00 46.19 45.15 1aro s LEU 444 CO 0.08 0.08 0.89 0.28 0.23 0.00 0.00 176.35 177.92 1aro s THR 445 N -2.04 0.00 0.28 5.49 -1.32 -0.24 -4.67 115.64 113.15 1aro s THR 445 Ca 0.25 0.00 -0.30 0.00 -1.21 0.00 0.00 61.69 60.44 1aro s THR 445 Cb -0.07 -1.00 -0.13 0.00 -1.51 0.00 0.00 72.50 69.79 1aro s THR 445 CO 0.13 0.00 1.29 0.18 -2.21 0.00 0.00 174.62 174.01 1aro n LEU 446 N 1.25 3.01 -2.39 9.08 4.77 -1.21 -1.34 117.00 130.16 1aro n LEU 446 Ca -0.13 1.17 -0.35 0.00 -0.03 0.00 0.00 56.01 56.67 1aro n LEU 446 Cb 0.57 -1.42 0.07 0.00 -2.33 0.00 0.00 43.42 40.31 1aro n LEU 446 CO 0.14 -0.66 1.38 0.00 -1.33 0.00 0.00 177.39 176.93 1aro n ALA 447 N 1.03 6.28 -3.16 -1.18 0.00 -0.95 -4.69 120.51 117.84 1aro n ALA 447 Ca 0.09 -3.59 0.05 0.00 0.00 0.00 0.00 53.44 49.99 1aro n ALA 447 Cb 0.33 -1.71 -0.02 0.00 0.00 0.00 0.00 19.45 18.05 1aro n ALA 447 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 1aro s LYS 448 N -3.85 0.23 0.40 0.00 2.20 -1.26 -4.87 119.74 112.60 1aro s LYS 448 Ca 0.62 0.43 0.07 0.00 -0.36 0.00 0.00 55.97 56.73 1aro s LYS 448 Cb 0.49 0.24 -0.08 0.00 -1.51 0.00 0.00 37.83 36.97 1aro s LYS 448 CO -0.06 -0.24 0.00 0.20 -0.36 0.00 0.00 175.35 174.89 1aro s GLY 449 N 2.91 2.47 0.35 5.54 0.00 -1.26 -4.84 107.32 112.48 1aro s GLY 449 Ca 0.01 -2.28 0.09 0.00 0.00 0.00 0.00 44.72 42.54 1aro s GLY 449 CO -0.12 -2.09 -0.07 0.54 0.00 0.00 0.00 173.10 171.36 1aro s LYS 450 N -3.71 1.80 -0.02 2.90 1.02 -1.22 -4.82 119.74 115.70 1aro s LYS 450 Ca 0.35 -1.94 -0.30 0.00 0.02 0.00 0.00 55.97 54.09 1aro s LYS 450 Cb 0.09 -1.60 -0.05 0.00 -0.52 0.00 0.00 37.83 35.75 1aro s LYS 450 CO 0.18 0.09 1.45 -2.14 -0.92 0.00 0.00 175.35 174.01 1aro s PRO 451 N -3.65 4.25 0.05 -1.68 0.02 -1.26 -2.17 135.00 130.57 1aro s PRO 451 Ca 0.33 2.00 -0.27 0.00 0.02 0.00 0.00 61.00 63.08 1aro s PRO 451 Cb 0.04 -3.67 -0.14 0.00 0.02 0.00 0.00 34.50 30.75 1aro s PRO 451 CO 0.16 -0.65 1.40 0.82 -0.33 0.00 0.00 177.00 178.41 1aro h ILE 452 N 5.08 0.00 -0.35 2.83 5.03 -1.68 -3.42 117.51 125.01 1aro h ILE 452 Ca -0.37 0.00 0.00 0.00 -0.12 0.00 0.00 64.86 64.37 1aro h ILE 452 Cb 1.17 0.00 0.00 0.00 -3.03 0.00 0.00 36.82 34.96 1aro h ILE 452 CO 0.92 0.00 0.00 0.61 -0.68 0.00 0.00 178.15 179.00 1aro n GLY 453 N -1.47 -1.07 0.00 5.37 0.00 -0.86 -2.98 105.19 104.19 1aro n GLY 453 Ca -0.11 -1.21 0.00 0.00 0.00 0.00 0.00 46.02 44.70 1aro n GLY 453 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1aro n LYS 454 N -0.14 0.00 -0.18 1.61 4.76 -1.26 -2.66 118.16 120.29 1aro n LYS 454 Ca 0.00 0.38 -0.11 0.00 -2.87 0.00 0.00 58.31 55.70 1aro n LYS 454 Cb 0.00 -1.27 -0.07 0.00 -1.84 0.00 0.00 35.03 31.85 1aro n LYS 454 CO 0.00 0.00 0.00 0.93 -1.37 0.00 0.00 177.40 176.96 1aro h GLU 455 N 0.00 -0.30 0.00 1.97 5.08 -1.97 -2.46 114.58 116.90 1aro h GLU 455 Ca 0.00 0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.38 1aro h GLU 455 Cb 0.00 0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.32 1aro h GLU 455 CO 0.00 -0.20 0.00 0.41 -1.00 0.00 0.00 179.01 178.22 1aro n GLY 456 N -1.38 -2.94 0.60 -3.84 0.00 -1.16 0.88 105.19 97.34 1aro n GLY 456 Ca -0.01 0.55 0.39 0.00 0.00 0.00 0.00 46.02 46.95 1aro n GLY 456 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 1aro h TYR 457 N 0.00 0.00 0.22 1.61 3.20 -1.22 0.13 116.97 120.91 1aro h TYR 457 Ca 0.00 0.00 -0.01 0.00 3.14 0.00 0.00 58.73 61.86 1aro h TYR 457 Cb 0.00 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.27 1aro h TYR 457 CO -0.85 0.00 -0.10 -0.92 -1.64 0.00 0.00 178.16 174.65 1aro h TYR 458 N 0.00 -0.27 0.00 -3.82 3.20 0.83 -2.99 116.97 113.92 1aro h TYR 458 Ca 0.66 -0.01 -0.01 0.00 3.14 0.00 0.00 58.73 62.52 1aro h TYR 458 Cb 3.09 0.09 -0.00 0.00 1.54 0.00 0.00 36.73 41.45 1aro h TYR 458 CO 0.00 0.04 -0.06 -1.49 -1.64 0.00 0.00 178.16 175.01 1aro h TRP 459 N -0.99 0.00 -0.68 -3.82 -0.00 0.09 0.82 115.95 111.38 1aro h TRP 459 Ca -0.03 0.00 -0.06 0.00 -0.00 0.00 0.00 58.89 58.80 1aro h TRP 459 Cb 0.43 0.00 -0.03 0.00 -0.00 0.00 0.00 29.16 29.56 1aro h TRP 459 CO 0.05 0.06 0.18 1.25 -0.00 0.00 0.00 178.44 179.98 1aro h LEU 460 N 0.00 1.01 0.54 -4.49 5.85 -0.92 0.25 115.31 117.54 1aro h LEU 460 Ca -0.00 -0.22 -0.03 0.00 0.84 0.00 0.00 57.88 58.47 1aro h LEU 460 Cb 0.12 -0.27 0.01 0.00 0.37 0.00 0.00 40.66 40.89 1aro h LEU 460 CO 0.01 0.97 -0.26 0.11 -0.34 0.00 0.00 178.44 178.93 1aro h LYS 461 N 1.00 -0.70 -0.92 1.25 1.79 -0.76 -0.54 116.57 117.70 1aro h LYS 461 Ca 0.21 0.05 0.18 0.00 -2.18 0.00 0.00 60.65 58.91 1aro h LYS 461 Cb 0.34 0.16 -0.10 0.00 -1.58 0.00 0.00 32.23 31.05 1aro h LYS 461 CO -0.00 -0.39 0.50 0.82 -1.08 0.00 0.00 179.45 179.29 1aro h ILE 462 N -0.92 0.67 0.14 1.86 1.08 -0.89 -1.09 117.51 118.36 1aro h ILE 462 Ca -0.07 -0.22 -0.01 0.00 -0.39 0.00 0.00 64.86 64.17 1aro h ILE 462 Cb 0.62 -0.02 -0.00 0.00 -3.07 0.00 0.00 36.82 34.35 1aro h ILE 462 CO 0.12 0.12 -0.11 -0.74 -0.69 0.00 0.00 178.15 176.85 1aro h HIS 463 N 0.64 -0.29 0.00 1.37 2.76 -0.23 -2.58 115.15 116.81 1aro h HIS 463 Ca 0.53 -0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.70 1aro h HIS 463 Cb 0.83 0.11 0.00 0.00 1.55 0.00 0.00 27.41 29.90 1aro h HIS 463 CO -0.06 -0.15 0.41 0.78 -1.30 0.00 0.00 177.93 177.60 1aro h GLY 464 N -0.24 0.00 0.34 5.26 0.00 -0.47 -0.16 103.07 107.80 1aro h GLY 464 Ca -0.02 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.29 1aro h GLY 464 CO 0.01 0.00 -0.16 0.00 0.00 0.00 0.00 176.54 176.38 1aro h ALA 465 N 1.14 -0.51 -1.26 3.60 0.00 -0.84 -2.69 119.26 118.70 1aro h ALA 465 Ca 0.00 -0.10 0.37 0.00 0.00 0.00 0.00 54.91 55.18 1aro h ALA 465 Cb 0.81 0.18 -0.05 0.00 0.00 0.00 0.00 17.79 18.73 1aro h ALA 465 CO 0.00 -0.48 0.93 -0.91 0.00 0.00 0.00 179.25 178.80 1aro h ASN 466 N -0.99 0.00 0.78 0.00 2.35 -0.76 1.42 115.58 118.37 1aro h ASN 466 Ca -0.05 0.00 -0.08 0.00 -0.55 0.00 0.00 56.30 55.63 1aro h ASN 466 Cb 0.35 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.71 1aro h ASN 466 CO 0.08 0.00 -0.36 0.00 -1.65 0.00 0.00 177.43 175.50 1aro h ALA 468 N 1.64 0.07 0.00 0.00 0.00 0.22 -3.35 119.26 117.84 1aro h ALA 468 Ca -0.00 -1.01 0.00 0.00 0.00 0.00 0.00 54.91 53.90 1aro h ALA 468 Cb 0.85 0.36 0.00 0.00 0.00 0.00 0.00 17.79 19.00 1aro h ALA 468 CO 0.05 0.81 0.00 0.41 0.00 0.00 0.00 179.25 180.51 1aro n GLY 469 N 1.77 0.67 2.48 0.00 0.00 -0.67 -2.82 105.19 106.63 1aro n GLY 469 Ca -0.22 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.63 1aro n GLY 469 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1aro n VAL 470 N 0.00 2.19 0.13 1.61 0.31 -1.17 -4.37 118.33 117.03 1aro n VAL 470 Ca 0.00 -1.25 0.07 0.00 -0.01 0.00 0.00 64.34 63.15 1aro n VAL 470 Cb 0.00 -2.01 0.14 0.00 -0.91 0.00 0.00 33.84 31.06 1aro n VAL 470 CO 0.00 0.00 0.00 -0.90 -1.32 0.00 0.00 176.83 174.61 1aro n ASP 471 N 3.71 2.82 -0.10 4.52 5.68 -1.26 -4.32 116.55 127.59 1aro n ASP 471 Ca 0.38 -1.84 -0.19 0.00 -0.50 0.00 0.00 54.79 52.64 1aro n ASP 471 Cb 0.26 -0.18 -0.09 0.00 -1.14 0.00 0.00 41.12 39.97 1aro n ASP 471 CO 0.00 0.00 0.00 0.29 -1.33 0.00 0.00 177.20 176.16 1aro n LYS 472 N 0.85 0.54 -0.75 0.11 4.76 -1.26 -4.97 118.16 117.45 1aro n LYS 472 Ca 0.13 0.49 -0.33 0.00 -2.87 0.00 0.00 58.31 55.73 1aro n LYS 472 Cb 0.44 -1.68 0.14 0.00 -1.84 0.00 0.00 35.03 32.09 1aro n LYS 472 CO 0.00 0.00 0.00 1.55 -1.37 0.00 0.00 177.40 177.58 1aro n VAL 473 N -4.44 0.00 -2.17 -0.18 3.14 -1.26 -4.76 118.33 108.65 1aro n VAL 473 Ca -0.30 -0.25 -0.33 0.00 -2.96 0.00 0.00 64.34 60.50 1aro n VAL 473 Cb 0.63 -0.59 -0.00 0.00 -1.06 0.00 0.00 33.84 32.81 1aro n VAL 473 CO 0.00 0.00 0.00 -2.16 -6.46 0.00 0.00 176.83 168.21 1aro s PRO 474 N -3.49 3.49 0.26 1.45 0.04 -1.26 -4.87 135.00 130.62 1aro s PRO 474 Ca 0.56 1.18 -0.04 0.00 0.04 0.00 0.00 61.00 62.73 1aro s PRO 474 Cb -0.16 -2.06 0.52 0.00 0.04 0.00 0.00 34.50 32.84 1aro s PRO 474 CO 0.67 -0.67 1.63 0.74 0.04 0.00 0.00 177.00 179.42 1aro h PHE 475 N 0.66 0.03 -0.19 0.56 0.04 -1.93 -0.68 116.94 115.44 1aro h PHE 475 Ca -0.47 0.06 0.00 0.00 2.80 0.00 0.00 57.97 60.36 1aro h PHE 475 Cb 1.21 0.11 -0.01 0.00 2.20 0.00 0.00 35.95 39.47 1aro h PHE 475 CO 0.59 -0.25 0.11 -1.35 -0.60 0.00 0.00 178.31 176.82 1aro h PRO 476 N 0.12 0.23 -0.00 1.51 0.11 -2.00 0.17 132.00 132.14 1aro h PRO 476 Ca 0.46 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.55 1aro h PRO 476 Cb 0.85 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 31.90 1aro h PRO 476 CO -0.69 0.15 -0.01 0.39 -0.21 0.00 0.00 178.00 177.63 1aro n GLU 477 N -4.97 0.72 0.04 1.05 1.02 -1.05 -2.78 120.64 114.67 1aro n GLU 477 Ca -0.03 -0.05 -0.21 0.00 -0.02 0.00 0.00 57.16 56.85 1aro n GLU 477 Cb 0.03 -1.50 -0.14 0.00 -0.02 0.00 0.00 31.44 29.81 1aro n GLU 477 CO 0.00 0.00 0.00 -0.09 1.18 0.00 0.00 177.13 178.22 1aro h ARG 478 N 0.11 0.28 0.66 3.49 2.43 0.46 -3.27 114.38 118.55 1aro h ARG 478 Ca 0.00 -0.48 -0.03 0.00 -0.81 0.00 0.00 59.98 58.66 1aro h ARG 478 Cb 0.18 0.18 -0.01 0.00 -0.42 0.00 0.00 29.97 29.90 1aro h ARG 478 CO 0.00 1.23 -0.50 0.82 -1.51 0.00 0.00 179.97 180.01 1aro h ILE 479 N -0.34 0.00 -0.78 1.20 1.08 -0.56 -3.22 117.51 114.90 1aro h ILE 479 Ca -0.21 0.00 0.07 0.00 -0.39 0.00 0.00 64.86 64.33 1aro h ILE 479 Cb 1.70 0.00 -0.09 0.00 -3.07 0.00 0.00 36.82 35.36 1aro h ILE 479 CO 0.12 0.00 -0.46 0.29 -0.69 0.00 0.00 178.15 177.41 1aro n LYS 480 N -5.54 -0.34 -0.22 2.37 4.01 -1.18 -0.07 118.16 117.20 1aro n LYS 480 Ca -0.13 1.32 0.20 0.00 -0.51 0.00 0.00 58.31 59.18 1aro n LYS 480 Cb 0.48 -1.94 0.35 0.00 -0.51 0.00 0.00 35.03 33.42 1aro n LYS 480 CO 0.00 0.00 0.00 0.34 -1.11 0.00 0.00 177.40 176.63 1aro n PHE 481 N -4.80 0.55 0.17 2.13 7.35 -1.21 0.58 117.46 122.22 1aro n PHE 481 Ca 0.02 0.55 -0.08 0.00 -0.76 0.00 0.00 57.45 57.17 1aro n PHE 481 Cb 0.20 -0.97 -0.04 0.00 0.35 0.00 0.00 39.48 39.02 1aro n PHE 481 CO 0.00 0.00 0.00 0.82 -0.76 0.00 0.00 176.76 176.82 1aro h ILE 482 N 0.00 0.06 -0.66 -2.13 2.04 -0.61 -2.95 117.51 113.26 1aro h ILE 482 Ca 0.49 -0.65 0.08 0.00 1.00 0.00 0.00 64.86 65.78 1aro h ILE 482 Cb 1.41 0.09 -0.04 0.00 -0.74 0.00 0.00 36.82 37.55 1aro h ILE 482 CO -0.36 0.01 0.44 -0.33 0.00 0.00 0.00 178.15 177.91 1aro h GLU 483 N -1.12 0.55 0.00 2.37 3.07 0.13 0.54 114.58 120.13 1aro h GLU 483 Ca -0.05 -0.03 0.00 0.00 -0.50 0.00 0.00 59.36 58.77 1aro h GLU 483 Cb 0.41 -0.12 0.00 0.00 -0.84 0.00 0.00 28.75 28.20 1aro h GLU 483 CO 0.08 0.37 0.00 0.93 -1.40 0.00 0.00 179.01 178.99 1aro h GLU 484 N 0.57 0.00 0.00 2.33 4.39 -0.91 -1.03 114.58 119.93 1aro h GLU 484 Ca 0.30 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 60.00 1aro h GLU 484 Cb 0.42 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.06 1aro h GLU 484 CO -0.09 0.00 -0.09 0.09 -1.16 0.00 0.00 179.01 177.75 1aro n ASN 485 N -2.42 1.95 -0.04 1.42 3.02 0.18 -4.90 115.26 114.47 1aro n ASN 485 Ca -0.01 -2.92 -0.01 0.00 -0.03 0.00 0.00 54.58 51.60 1aro n ASN 485 Cb 0.07 -0.39 -0.01 0.00 -0.61 0.00 0.00 39.78 38.83 1aro n ASN 485 CO 0.00 0.00 0.00 -0.74 -2.62 0.00 0.00 177.26 173.90 1aro h HIS 486 N 0.02 -0.22 0.00 3.10 -0.00 -0.11 0.23 115.15 118.17 1aro h HIS 486 Ca -0.00 0.01 0.00 0.00 -0.00 0.00 0.00 60.37 60.38 1aro h HIS 486 Cb 1.07 0.11 0.00 0.00 -0.00 0.00 0.00 27.41 28.59 1aro h HIS 486 CO 0.03 -0.05 0.00 0.39 -0.00 0.00 0.00 177.93 178.30 1aro n GLU 487 N -3.21 0.05 -0.03 5.26 1.02 -1.26 -1.90 120.64 120.57 1aro n GLU 487 Ca 0.00 0.14 -0.21 0.00 -0.02 0.00 0.00 57.16 57.07 1aro n GLU 487 Cb 0.03 -1.50 -0.13 0.00 -0.02 0.00 0.00 31.44 29.82 1aro n GLU 487 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1aro n ASN 488 N -1.15 2.08 0.00 1.62 3.02 0.04 -2.56 115.26 118.30 1aro n ASN 488 Ca 0.01 0.17 -0.12 0.00 -0.03 0.00 0.00 54.58 54.62 1aro n ASN 488 Cb 0.01 -0.80 -0.07 0.00 -0.61 0.00 0.00 39.78 38.32 1aro n ASN 488 CO 0.00 0.00 0.00 0.40 -2.62 0.00 0.00 177.26 175.04 1aro h ILE 489 N -0.04 1.12 -0.25 2.41 2.04 -0.99 -2.89 117.51 118.91 1aro h ILE 489 Ca -0.45 -0.35 0.03 0.00 1.00 0.00 0.00 64.86 65.08 1aro h ILE 489 Cb 1.95 1.25 -0.03 0.00 -0.74 0.00 0.00 36.82 39.26 1aro h ILE 489 CO 0.03 0.10 0.08 0.24 0.00 0.00 0.00 178.15 178.59 1aro h MET 490 N -0.05 0.18 -1.39 2.37 2.86 -1.64 -0.46 114.93 116.81 1aro h MET 490 Ca 0.02 -0.01 0.41 0.00 -2.06 0.00 0.00 59.70 58.06 1aro h MET 490 Cb 0.14 -0.04 -0.08 0.00 0.06 0.00 0.00 31.60 31.68 1aro h MET 490 CO -0.00 0.12 0.97 0.00 1.06 0.00 0.00 176.91 179.06 1aro h ALA 491 N 1.16 3.09 0.00 6.32 0.00 -1.32 0.81 119.26 129.31 1aro h ALA 491 Ca 0.11 0.00 -0.58 0.00 0.00 0.00 0.00 54.91 54.44 1aro h ALA 491 Cb 0.08 0.12 0.01 0.00 0.00 0.00 0.00 17.79 18.01 1aro h ALA 491 CO -0.12 -1.56 3.15 0.00 0.00 0.00 0.00 179.25 180.72 1aro n ALA 493 N 3.45 1.88 -2.70 0.00 0.00 0.28 -4.51 120.51 118.89 1aro n ALA 493 Ca 0.72 -0.67 -0.06 0.00 0.00 0.00 0.00 53.44 53.43 1aro n ALA 493 Cb 0.33 0.00 0.08 0.00 0.00 0.00 0.00 19.45 19.86 1aro n ALA 493 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1aro n LYS 494 N -0.22 1.30 -0.03 0.00 5.02 -1.08 -5.05 118.16 118.09 1aro n LYS 494 Ca 0.00 -2.46 0.00 0.00 -2.02 0.00 0.00 58.31 53.83 1aro n LYS 494 Cb 0.19 -0.61 0.01 0.00 -0.02 0.00 0.00 35.03 34.60 1aro n LYS 494 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 1aro n SER 495 N -0.59 -0.03 0.10 4.39 3.41 -1.26 -0.77 113.62 118.87 1aro n SER 495 Ca -0.00 0.15 -0.23 0.00 -0.26 0.00 0.00 58.87 58.54 1aro n SER 495 Cb 0.84 -0.05 -0.15 0.00 -0.26 0.00 0.00 64.21 64.59 1aro n SER 495 CO 0.00 0.00 0.00 1.55 -0.16 0.00 0.00 175.04 176.43 1aro h PRO 496 N 0.00 0.42 -6.97 4.33 0.13 -1.97 -3.36 132.00 124.59 1aro h PRO 496 Ca 0.04 -0.73 -0.54 0.00 -0.87 0.00 0.00 66.00 63.91 1aro h PRO 496 Cb 0.06 0.27 0.10 0.00 0.13 0.00 0.00 31.00 31.57 1aro h PRO 496 CO -0.09 1.35 0.67 -1.17 -0.23 0.00 0.00 178.00 178.53 1aro s LEU 497 N -7.72 4.18 0.00 1.56 2.96 0.05 -4.29 118.68 115.42 1aro s LEU 497 Ca -0.12 2.83 0.00 0.00 -0.22 0.00 0.00 54.13 56.62 1aro s LEU 497 Cb 0.03 -3.89 0.00 0.00 0.50 0.00 0.00 46.19 42.82 1aro s LEU 497 CO 0.89 -1.01 0.00 1.21 -1.32 0.00 0.00 176.35 176.12 1aro n GLU 498 N 0.01 0.00 0.25 1.98 4.07 -1.26 -4.59 120.64 121.09 1aro n GLU 498 Ca 0.04 0.00 0.17 0.00 -0.06 0.00 0.00 57.16 57.31 1aro n GLU 498 Cb 0.42 -1.08 0.89 0.00 -0.06 0.00 0.00 31.44 31.61 1aro n GLU 498 CO 0.00 0.00 0.00 -0.91 -0.06 0.00 0.00 177.13 176.16 1aro h ASN 499 N 1.33 0.00 0.00 4.31 2.35 -1.75 -3.41 115.58 118.42 1aro h ASN 499 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 1aro h ASN 499 Cb 0.00 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.37 1aro h ASN 499 CO 0.00 0.00 0.23 0.41 -1.65 0.00 0.00 177.43 176.42 1aro n THR 500 N -2.65 0.38 -0.18 2.81 -1.04 -1.26 -3.77 114.28 108.57 1aro n THR 500 Ca -0.02 0.33 0.01 0.00 -2.04 0.00 0.00 64.05 62.33 1aro n THR 500 Cb 0.06 -1.33 0.04 0.00 -1.82 0.00 0.00 70.33 67.29 1aro n THR 500 CO 0.00 0.00 0.00 1.87 -0.64 0.00 0.00 175.07 176.30 1aro n TRP 501 N -0.97 0.09 -0.14 -1.42 -0.00 -1.26 -1.26 117.44 112.48 1aro n TRP 501 Ca 0.00 0.60 -0.05 0.00 -0.00 0.00 0.00 57.50 58.05 1aro n TRP 501 Cb 0.23 -0.73 0.03 0.00 -0.00 0.00 0.00 31.31 30.84 1aro n TRP 501 CO 0.00 0.00 0.00 0.11 -0.00 0.00 0.00 177.69 177.80 1aro h TRP 502 N 0.00 0.42 -0.31 5.87 5.08 -1.94 -0.41 115.95 124.66 1aro h TRP 502 Ca 0.20 0.02 0.09 0.00 1.08 0.00 0.00 58.89 60.28 1aro h TRP 502 Cb 0.32 -0.12 -0.01 0.00 -3.00 0.00 0.00 29.16 26.35 1aro h TRP 502 CO -0.40 0.21 0.33 0.00 -1.28 0.00 0.00 178.44 177.30 1aro h ALA 503 N 1.24 1.98 0.00 0.11 0.00 -1.46 0.17 119.26 121.30 1aro h ALA 503 Ca 0.20 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.09 1aro h ALA 503 Cb 0.10 0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.91 1aro h ALA 503 CO -0.14 -0.49 0.00 0.39 0.00 0.00 0.00 179.25 179.01 1aro n GLU 504 N -3.76 0.62 -2.15 0.00 1.02 -0.17 -4.64 120.64 111.56 1aro n GLU 504 Ca 0.05 0.00 -0.29 0.00 -0.02 0.00 0.00 57.16 56.90 1aro n GLU 504 Cb 0.49 -1.50 0.02 0.00 -0.02 0.00 0.00 31.44 30.43 1aro n GLU 504 CO 0.00 0.00 0.00 -0.65 1.18 0.00 0.00 177.13 177.66 1aro s GLN 505 N -2.38 3.21 0.28 3.49 -1.52 0.60 -4.96 119.66 118.38 1aro s GLN 505 Ca 0.35 0.37 0.01 0.00 -1.95 0.00 0.00 55.36 54.14 1aro s GLN 505 Cb 0.21 -2.17 0.66 0.00 -0.22 0.00 0.00 33.01 31.49 1aro s GLN 505 CO 0.43 -0.67 1.69 0.22 -0.25 0.00 0.00 175.29 176.71 1aro h ASP 506 N -0.27 0.20 -3.23 5.90 1.82 -1.73 -3.26 116.42 115.85 1aro h ASP 506 Ca -0.45 0.16 -0.60 0.00 -0.39 0.00 0.00 57.03 55.75 1aro h ASP 506 Cb 1.23 0.17 -0.40 0.00 0.68 0.00 0.00 39.33 41.01 1aro h ASP 506 CO 0.62 -0.03 -0.77 -0.94 -1.61 0.00 0.00 179.24 176.51 1aro s SER 507 N -5.18 3.48 0.09 2.28 1.04 -1.26 -5.06 113.70 109.10 1aro s SER 507 Ca -0.12 -2.44 -0.20 0.00 0.48 0.00 0.00 55.95 53.67 1aro s SER 507 Cb 0.24 -0.84 -0.06 0.00 0.10 0.00 0.00 66.02 65.46 1aro s SER 507 CO 0.77 -0.29 1.35 1.55 0.98 0.00 0.00 173.24 177.60 1aro h PRO 508 N 6.89 -0.12 -0.03 4.02 0.13 -1.75 -2.28 132.00 138.87 1aro h PRO 508 Ca 0.00 0.01 -0.21 0.00 -0.87 0.00 0.00 66.00 64.93 1aro h PRO 508 Cb 0.94 0.03 -0.00 0.00 0.13 0.00 0.00 31.00 32.10 1aro h PRO 508 CO 0.42 -0.08 -0.86 0.74 -0.23 0.00 0.00 178.00 177.99 1aro h PHE 509 N -0.12 0.58 0.00 1.56 -1.00 -1.89 0.25 116.94 116.31 1aro h PHE 509 Ca 0.08 -0.29 0.00 0.00 2.81 0.00 0.00 57.97 60.56 1aro h PHE 509 Cb 0.32 -0.07 0.00 0.00 3.61 0.00 0.00 35.95 39.80 1aro h PHE 509 CO -0.85 1.09 0.00 0.00 -1.61 0.00 0.00 178.31 176.94 1aro n PHE 511 N -1.16 0.00 -0.32 0.00 7.35 -0.87 -4.56 117.46 117.89 1aro n PHE 511 Ca 0.04 0.00 0.07 0.00 -0.76 0.00 0.00 57.45 56.80 1aro n PHE 511 Cb 0.04 -0.17 0.17 0.00 0.35 0.00 0.00 39.48 39.87 1aro n PHE 511 CO 0.00 0.00 0.00 1.25 -0.76 0.00 0.00 176.76 177.25 1aro h LEU 512 N -0.22 -0.68 -0.83 -2.13 5.85 -0.36 2.08 115.31 119.02 1aro h LEU 512 Ca -0.08 0.26 0.17 0.00 0.84 0.00 0.00 57.88 59.07 1aro h LEU 512 Cb 0.69 0.51 -0.11 0.00 0.37 0.00 0.00 40.66 42.12 1aro h LEU 512 CO -0.05 -0.29 0.37 0.00 -0.34 0.00 0.00 178.44 178.13 1aro h ALA 513 N 1.89 1.25 0.31 1.25 0.00 -1.71 -1.40 119.26 120.85 1aro h ALA 513 Ca 0.47 0.12 0.00 0.00 0.00 0.00 0.00 54.91 55.50 1aro h ALA 513 Cb 0.80 0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.64 1aro h ALA 513 CO -0.89 -0.22 -0.48 0.35 0.00 0.00 0.00 179.25 178.01 1aro h PHE 514 N 0.48 -1.35 -0.55 0.00 3.57 0.31 -1.48 116.94 117.93 1aro h PHE 514 Ca 0.48 0.02 0.06 0.00 3.53 0.00 0.00 57.97 62.06 1aro h PHE 514 Cb 0.78 0.55 -0.09 0.00 2.79 0.00 0.00 35.95 39.98 1aro h PHE 514 CO -0.14 -0.61 -0.57 0.00 -2.23 0.00 0.00 178.31 174.77 1aro h PHE 516 N -0.31 -1.37 -0.04 0.00 0.04 -1.10 0.75 116.94 114.91 1aro h PHE 516 Ca 0.09 0.11 0.04 0.00 2.80 0.00 0.00 57.97 61.01 1aro h PHE 516 Cb 0.55 0.73 -0.05 0.00 2.20 0.00 0.00 35.95 39.39 1aro h PHE 516 CO -0.80 -0.40 -0.24 1.49 -0.60 0.00 0.00 178.31 177.76 1aro h GLU 517 N -0.03 -0.34 -0.49 1.51 4.57 0.13 -0.44 114.58 119.49 1aro h GLU 517 Ca 0.26 0.02 0.10 0.00 -1.18 0.00 0.00 59.36 58.56 1aro h GLU 517 Cb 0.53 0.08 -0.10 0.00 -0.16 0.00 0.00 28.75 29.10 1aro h GLU 517 CO -0.93 -0.23 -0.23 -0.92 -1.18 0.00 0.00 179.01 175.52 1aro h TYR 518 N -0.36 -0.59 0.27 0.92 3.20 0.45 -1.88 116.97 118.98 1aro h TYR 518 Ca 0.07 0.05 0.00 0.00 3.14 0.00 0.00 58.73 62.00 1aro h TYR 518 Cb 0.46 0.34 -0.04 0.00 1.54 0.00 0.00 36.73 39.03 1aro h TYR 518 CO -0.30 -0.31 -0.49 0.00 -1.64 0.00 0.00 178.16 175.42 1aro h ALA 519 N 1.18 -0.98 -0.45 1.82 0.00 0.11 -2.00 119.26 118.94 1aro h ALA 519 Ca 0.22 -0.13 0.13 0.00 0.00 0.00 0.00 54.91 55.13 1aro h ALA 519 Cb 0.48 0.78 -0.02 0.00 0.00 0.00 0.00 17.79 19.03 1aro h ALA 519 CO -0.56 -1.11 0.42 0.78 0.00 0.00 0.00 179.25 178.78 1aro h GLY 520 N -0.83 0.00 0.90 0.00 0.00 -0.52 0.34 103.07 102.96 1aro h GLY 520 Ca -0.02 0.00 -0.11 0.00 0.00 0.00 0.00 47.33 47.20 1aro h GLY 520 CO -0.19 0.00 -0.31 -2.08 0.00 0.00 0.00 176.54 173.96 1aro h VAL 521 N 0.00 1.33 0.00 4.60 2.07 -0.64 -2.31 116.25 121.30 1aro h VAL 521 Ca 0.21 -1.51 0.00 0.00 0.82 0.00 0.00 66.70 66.22 1aro h VAL 521 Cb 1.05 1.80 0.00 0.00 -1.52 0.00 0.00 31.29 32.62 1aro h VAL 521 CO -0.00 0.47 0.00 0.00 0.02 0.00 0.00 177.57 178.06 1aro n GLN 522 N -4.32 0.66 0.00 1.57 1.13 0.12 -0.32 117.38 116.21 1aro n GLN 522 Ca -0.05 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.01 1aro n GLN 522 Cb 0.48 -1.25 0.00 0.00 0.11 0.00 0.00 30.24 29.58 1aro n GLN 522 CO 0.00 0.00 0.00 0.72 -1.44 0.00 0.00 177.06 176.34 1aro n HIS 523 N 0.43 0.00 0.00 1.08 8.25 -1.08 -4.88 115.22 119.02 1aro n HIS 523 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 1aro n HIS 523 Cb 0.25 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.36 1aro n HIS 523 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 1aro n HIS 524 N 0.00 0.00 0.00 4.41 8.25 -0.89 -5.09 115.22 121.90 1aro n HIS 524 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 1aro n HIS 524 Cb 0.00 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.11 1aro n HIS 524 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1aro n GLY 525 N 1.05 -0.92 0.44 -1.41 0.00 0.56 -4.25 105.19 100.67 1aro n GLY 525 Ca 0.00 -1.67 0.00 0.00 0.00 0.00 0.00 46.02 44.35 1aro n GLY 525 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1aro n LEU 526 N -0.90 0.40 -0.01 0.99 4.77 -1.26 -2.25 117.00 118.75 1aro n LEU 526 Ca 0.00 -0.20 0.07 0.00 -0.03 0.00 0.00 56.01 55.85 1aro n LEU 526 Cb 0.00 -0.20 -0.11 0.00 -2.33 0.00 0.00 43.42 40.78 1aro n LEU 526 CO 0.00 0.10 -0.57 -1.54 -1.33 0.00 0.00 177.39 174.05 1aro n SER 527 N 0.18 1.44 -4.75 -1.43 3.41 -1.26 -2.02 113.62 109.20 1aro n SER 527 Ca 0.00 -0.14 -0.41 0.00 -0.26 0.00 0.00 58.87 58.06 1aro n SER 527 Cb 0.10 1.57 -0.02 0.00 -0.26 0.00 0.00 64.21 65.59 1aro n SER 527 CO 0.00 0.00 0.00 -0.47 -0.16 0.00 0.00 175.04 174.41 1aro s TYR 528 N -2.92 3.06 -1.24 7.33 5.04 -0.95 -4.59 117.35 123.07 1aro s TYR 528 Ca -0.04 1.14 -0.19 0.00 -2.44 0.00 0.00 57.07 55.54 1aro s TYR 528 Cb 0.10 -3.76 0.05 0.00 0.35 0.00 0.00 41.96 38.71 1aro s TYR 528 CO 0.61 -2.37 1.71 -0.80 -1.34 0.00 0.00 175.55 173.37 1aro s ASN 529 N 0.18 6.64 0.53 4.32 0.01 -1.25 -2.72 114.94 122.65 1aro s ASN 529 Ca 0.57 -2.22 -0.17 0.00 -0.71 0.00 0.00 52.86 50.33 1aro s ASN 529 Cb -0.41 -2.58 -0.07 0.00 0.41 0.00 0.00 41.25 38.61 1aro s ASN 529 CO 0.45 -1.37 1.01 0.00 -1.51 0.00 0.00 177.10 175.68 1aro n SER 531 N -1.53 0.13 -4.68 0.00 3.41 -1.26 -3.39 113.62 106.31 1aro n SER 531 Ca 0.08 -1.04 -0.44 0.00 -0.26 0.00 0.00 58.87 57.21 1aro n SER 531 Cb 0.53 0.00 -0.04 0.00 -0.26 0.00 0.00 64.21 64.45 1aro n SER 531 CO 0.00 0.00 0.00 -0.11 -0.16 0.00 0.00 175.04 174.77 1aro n LEU 532 N -0.02 3.89 -4.70 1.04 0.00 -1.26 -3.33 117.00 112.62 1aro n LEU 532 Ca 0.00 0.96 -0.42 0.00 0.00 0.00 0.00 56.01 56.55 1aro n LEU 532 Cb 0.34 -1.49 -0.03 0.00 0.00 0.00 0.00 43.42 42.24 1aro n LEU 532 CO 0.00 0.10 1.38 -2.16 0.00 0.00 0.00 177.39 176.71 1aro s PRO 533 N 3.53 4.17 -0.23 1.96 0.04 -1.26 -4.34 135.00 138.86 1aro s PRO 533 Ca 0.87 2.46 -0.07 0.00 0.04 0.00 0.00 61.00 64.30 1aro s PRO 533 Cb -0.53 -3.50 -0.03 0.00 0.04 0.00 0.00 34.50 30.49 1aro s PRO 533 CO 0.42 -0.76 0.06 -0.51 0.04 0.00 0.00 177.00 176.25 1aro s LEU 534 N 2.37 3.45 0.13 -3.56 1.43 -0.70 -4.96 118.68 116.85 1aro s LEU 534 Ca 0.76 -0.18 0.06 0.00 -1.03 0.00 0.00 54.13 53.75 1aro s LEU 534 Cb -0.44 -1.91 -0.04 0.00 0.03 0.00 0.00 46.19 43.83 1aro s LEU 534 CO 0.34 0.00 -0.00 0.00 0.23 0.00 0.00 176.35 176.92 1aro s ALA 535 N 1.39 3.23 -0.02 4.21 0.00 -1.26 -3.61 121.76 125.70 1aro s ALA 535 Ca 0.05 -1.25 -0.00 0.00 0.00 0.00 0.00 51.96 50.76 1aro s ALA 535 Cb -0.15 -1.08 0.03 0.00 0.00 0.00 0.00 23.12 21.92 1aro s ALA 535 CO 0.03 0.58 0.03 -0.06 0.00 0.00 0.00 175.76 176.35 1aro s PHE 536 N -1.51 0.02 0.02 0.00 0.40 -1.26 -4.95 117.98 110.71 1aro s PHE 536 Ca 0.26 0.13 0.03 0.00 -0.60 0.00 0.00 56.93 56.75 1aro s PHE 536 Cb -0.10 -0.21 -0.04 0.00 0.51 0.00 0.00 43.02 43.18 1aro s PHE 536 CO 0.18 -0.08 -0.03 -0.51 0.70 0.00 0.00 175.22 175.48 1aro s ASP 537 N 0.98 4.88 0.08 1.36 1.01 -1.26 -4.42 116.67 119.30 1aro s ASP 537 Ca -0.08 -0.11 -0.01 0.00 0.71 0.00 0.00 52.55 53.05 1aro s ASP 537 Cb -0.12 -1.18 -0.04 0.00 1.01 0.00 0.00 42.92 42.59 1aro s ASP 537 CO -0.03 0.25 0.25 -0.83 0.21 0.00 0.00 175.17 175.02 1aro s GLY 538 N -1.69 2.20 0.58 0.21 0.00 -1.26 -4.99 107.32 102.37 1aro s GLY 538 Ca 0.20 -0.78 0.30 0.00 0.00 0.00 0.00 44.72 44.43 1aro s GLY 538 CO 0.11 -0.75 1.78 1.48 0.00 0.00 0.00 173.10 175.72 1aro h SER 539 N 3.02 0.00 0.00 1.64 4.64 -2.01 -3.42 113.55 117.42 1aro h SER 539 Ca -0.45 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.87 1aro h SER 539 Cb 1.16 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.25 1aro h SER 539 CO 0.75 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 176.71 1aro s SER 541 N 0.00 3.15 0.00 0.00 1.04 -1.26 -4.26 113.70 112.36 1aro s SER 541 Ca 0.00 -0.71 0.00 0.00 0.48 0.00 0.00 55.95 55.72 1aro s SER 541 Cb 0.00 -1.32 0.00 0.00 0.10 0.00 0.00 66.02 64.80 1aro s SER 541 CO 0.00 -0.07 0.00 0.61 0.98 0.00 0.00 173.24 174.76 1aro n GLY 542 N 4.67 3.69 0.13 7.32 0.00 -1.26 -4.75 105.19 114.99 1aro n GLY 542 Ca -0.17 -0.58 0.12 0.00 0.00 0.00 0.00 46.02 45.39 1aro n GLY 542 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1aro n ILE 543 N 0.00 0.79 -0.05 -0.61 5.41 -1.26 -1.39 119.36 122.25 1aro n ILE 543 Ca 0.00 0.16 -0.02 0.00 1.00 0.00 0.00 62.75 63.90 1aro n ILE 543 Cb 0.00 -1.09 -0.01 0.00 -0.71 0.00 0.00 39.64 37.84 1aro n ILE 543 CO 0.00 0.00 0.00 -0.61 0.00 0.00 0.00 176.55 175.94 1aro h GLN 544 N 0.00 0.00 -0.10 0.38 4.15 -1.86 -3.23 115.11 114.46 1aro h GLN 544 Ca 0.00 0.00 -0.00 0.00 0.77 0.00 0.00 58.65 59.42 1aro h GLN 544 Cb 0.41 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 28.10 1aro h GLN 544 CO 0.00 0.00 0.04 0.45 -1.93 0.00 0.00 178.83 177.39 1aro h HIS 545 N -0.84 0.12 -0.13 3.99 3.86 -1.90 -1.22 115.15 119.03 1aro h HIS 545 Ca 0.00 0.00 -0.17 0.00 -1.16 0.00 0.00 60.37 59.04 1aro h HIS 545 Cb 0.17 -0.04 -0.01 0.00 1.06 0.00 0.00 27.41 28.59 1aro h HIS 545 CO -0.07 0.10 -0.63 0.74 0.86 0.00 0.00 177.93 178.93 1aro h PHE 546 N 0.13 0.63 -0.32 2.45 0.04 -1.41 0.64 116.94 119.09 1aro h PHE 546 Ca 0.03 -0.24 -0.13 0.00 2.80 0.00 0.00 57.97 60.43 1aro h PHE 546 Cb 0.03 -0.11 -0.01 0.00 2.20 0.00 0.00 35.95 38.06 1aro h PHE 546 CO 0.00 0.98 -0.31 0.77 -0.60 0.00 0.00 178.31 179.15 1aro h SER 547 N 0.35 0.73 0.38 2.17 0.02 -1.41 0.62 113.55 116.41 1aro h SER 547 Ca -0.01 -0.29 -0.02 0.00 -0.84 0.00 0.00 61.79 60.63 1aro h SER 547 Cb 1.18 -0.20 0.00 0.00 0.14 0.00 0.00 62.40 63.53 1aro h SER 547 CO 0.11 0.99 -0.18 0.00 -1.14 0.00 0.00 176.83 176.61 1aro h ALA 548 N 1.06 -0.57 -0.77 3.77 0.00 -1.09 0.93 119.26 122.58 1aro h ALA 548 Ca 0.07 -0.11 0.10 0.00 0.00 0.00 0.00 54.91 54.96 1aro h ALA 548 Cb 0.83 0.20 -0.12 0.00 0.00 0.00 0.00 17.79 18.70 1aro h ALA 548 CO 0.07 -0.53 -0.49 1.98 0.00 0.00 0.00 179.25 180.28 1aro h MET 549 N -1.00 -0.13 -0.01 0.00 -1.53 0.35 -0.98 114.93 111.64 1aro h MET 549 Ca -0.05 0.01 -0.19 0.00 -3.44 0.00 0.00 59.70 56.02 1aro h MET 549 Cb 0.39 0.03 -0.01 0.00 -0.55 0.00 0.00 31.60 31.46 1aro h MET 549 CO 0.09 -0.09 -0.84 -0.07 0.14 0.00 0.00 176.91 176.14 1aro h LEU 550 N -0.13 0.28 -1.86 3.39 3.38 0.16 -3.48 115.31 117.04 1aro h LEU 550 Ca 0.19 -0.21 -0.02 0.00 0.09 0.00 0.00 57.88 57.93 1aro h LEU 550 Cb 0.53 -0.08 0.01 0.00 0.09 0.00 0.00 40.66 41.20 1aro h LEU 550 CO -0.82 1.00 -0.04 0.54 0.09 0.00 0.00 178.44 179.21 1aro n ARG 551 N -3.69 -0.34 -3.84 1.13 1.74 0.32 -2.28 116.66 109.71 1aro n ARG 551 Ca -0.04 0.04 -0.37 0.00 -0.77 0.00 0.00 57.85 56.72 1aro n ARG 551 Cb 0.78 -2.67 -0.06 0.00 -1.02 0.00 0.00 32.46 29.50 1aro n ARG 551 CO 0.00 0.00 0.00 0.16 -1.52 0.00 0.00 177.63 176.27 1aro s ASP 552 N -3.06 6.44 0.00 0.55 -4.77 -1.06 -1.69 116.67 113.08 1aro s ASP 552 Ca 0.00 0.51 0.00 0.00 -3.30 0.00 0.00 52.55 49.77 1aro s ASP 552 Cb -0.00 -2.08 0.00 0.00 -1.09 0.00 0.00 42.92 39.75 1aro s ASP 552 CO 0.04 0.37 0.00 -0.62 0.70 0.00 0.00 175.17 175.66 1aro n GLU 553 N 1.79 0.00 0.00 2.11 1.02 -1.26 -3.38 120.64 120.92 1aro n GLU 553 Ca -0.18 0.12 0.00 0.00 -0.02 0.00 0.00 57.16 57.09 1aro n GLU 553 Cb 0.54 -0.55 0.00 0.00 -0.02 0.00 0.00 31.44 31.42 1aro n GLU 553 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 1aro n VAL 554 N -1.18 0.00 -0.01 2.62 0.31 -1.26 0.26 118.33 119.07 1aro n VAL 554 Ca 0.00 0.00 -0.22 0.00 -0.01 0.00 0.00 64.34 64.11 1aro n VAL 554 Cb 0.00 0.00 -0.14 0.00 -0.91 0.00 0.00 33.84 32.79 1aro n VAL 554 CO 0.00 0.00 0.00 1.23 -1.32 0.00 0.00 176.83 176.74 1aro h GLY 555 N 0.00 0.26 1.05 2.92 0.00 -1.75 -2.74 103.07 102.81 1aro h GLY 555 Ca 0.00 -0.66 0.13 0.00 0.00 0.00 0.00 47.33 46.80 1aro h GLY 555 CO 0.00 0.58 0.35 -1.33 0.00 0.00 0.00 176.54 176.14 1aro h GLY 556 N 0.44 0.00 1.08 4.60 0.00 0.35 0.25 103.07 109.80 1aro h GLY 556 Ca -0.38 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.95 1aro h GLY 556 CO 0.04 0.00 -0.87 3.21 0.00 0.00 0.00 176.54 178.92 1aro h ARG 557 N 0.00 0.00 -0.16 4.80 3.08 -0.50 -2.05 114.38 119.55 1aro h ARG 557 Ca 0.22 0.00 -0.21 0.00 0.07 0.00 0.00 59.98 60.06 1aro h ARG 557 Cb 0.91 0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.97 1aro h ARG 557 CO -0.00 0.00 -0.72 0.00 -1.07 0.00 0.00 179.97 178.18 1aro h ALA 558 N 2.11 0.31 0.44 0.04 0.00 -0.19 -3.37 119.26 118.59 1aro h ALA 558 Ca 0.00 -0.58 -0.01 0.00 0.00 0.00 0.00 54.91 54.32 1aro h ALA 558 Cb 0.95 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.69 1aro h ALA 558 CO 0.00 0.64 -0.45 0.28 0.00 0.00 0.00 179.25 179.72 1aro h VAL 559 N 0.50 0.11 0.00 0.00 2.07 -1.53 -3.33 116.25 114.07 1aro h VAL 559 Ca -0.04 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.48 1aro h VAL 559 Cb 1.35 0.11 0.00 0.00 -1.52 0.00 0.00 31.29 31.23 1aro h VAL 559 CO 0.15 0.00 0.00 0.59 0.02 0.00 0.00 177.57 178.33 1aro n ASN 560 N -5.53 0.00 -0.21 0.57 3.02 -1.26 -4.61 115.26 107.25 1aro n ASN 560 Ca -0.11 -0.52 0.04 0.00 -0.03 0.00 0.00 54.58 53.96 1aro n ASN 560 Cb 0.43 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.60 1aro n ASN 560 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 1aro n LEU 561 N 0.00 1.17 -0.07 3.41 4.77 -1.26 -4.75 117.00 120.27 1aro n LEU 561 Ca 0.00 -0.79 -0.10 0.00 -0.03 0.00 0.00 56.01 55.09 1aro n LEU 561 Cb 0.21 0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 41.22 1aro n LEU 561 CO 0.00 0.24 -0.01 -0.07 -1.33 0.00 0.00 177.39 176.22 1aro h LEU 562 N 1.01 0.00-10.39 2.23 4.07 -1.70 -3.48 115.31 107.06 1aro h LEU 562 Ca 0.00 -0.47 -0.55 0.00 0.08 0.00 0.00 57.88 56.94 1aro h LEU 562 Cb 0.29 0.00 -0.03 0.00 1.08 0.00 0.00 40.66 42.00 1aro h LEU 562 CO 0.00 0.92 -0.27 -2.16 -1.08 0.00 0.00 178.44 175.85 1aro s PRO 563 N -2.06 2.30 0.04 1.13 0.05 -1.26 -4.23 135.00 130.97 1aro s PRO 563 Ca -0.15 -1.87 -0.30 0.00 0.05 0.00 0.00 61.00 58.73 1aro s PRO 563 Cb 0.00 -2.26 -0.05 0.00 0.05 0.00 0.00 34.50 32.24 1aro s PRO 563 CO 0.40 -0.61 1.25 -1.54 0.05 0.00 0.00 177.00 176.55 1aro s SER 564 N -4.34 7.01 0.00 6.66 1.04 -1.26 -4.97 113.70 117.85 1aro s SER 564 Ca 0.42 2.03 0.00 0.00 0.48 0.00 0.00 55.95 58.88 1aro s SER 564 Cb -0.03 -2.57 0.00 0.00 0.10 0.00 0.00 66.02 63.52 1aro s SER 564 CO 0.26 -0.54 0.00 -0.62 0.98 0.00 0.00 173.24 173.32 1aro n GLU 565 N 4.35 0.00 -3.78 4.02 -0.58 -1.26 -5.12 120.64 118.27 1aro n GLU 565 Ca 0.10 0.00 -0.37 0.00 -0.42 0.00 0.00 57.16 56.47 1aro n GLU 565 Cb 0.45 0.00 -0.12 0.00 -0.57 0.00 0.00 31.44 31.21 1aro n GLU 565 CO 0.00 0.00 0.00 0.99 -0.48 0.00 0.00 177.13 177.64 1aro s THR 566 N -2.89 3.47 -0.27 2.62 2.01 -1.26 -5.04 115.64 114.27 1aro s THR 566 Ca 0.00 -1.58 -0.25 0.00 0.31 0.00 0.00 61.69 60.17 1aro s THR 566 Cb 0.00 -3.15 -0.11 0.00 0.01 0.00 0.00 72.50 69.25 1aro s THR 566 CO 0.00 -0.40 1.06 0.52 -0.69 0.00 0.00 174.62 175.11 1aro n VAL 567 N 4.70 0.00 -3.74 3.82 0.31 -1.26 -4.96 118.33 117.20 1aro n VAL 567 Ca -0.09 0.00 -0.13 0.00 -0.01 0.00 0.00 64.34 64.11 1aro n VAL 567 Cb 0.43 -0.27 -0.14 0.00 -0.91 0.00 0.00 33.84 32.94 1aro n VAL 567 CO 0.00 0.00 0.00 -1.58 -1.32 0.00 0.00 176.83 173.93 1aro s GLN 568 N 2.67 0.13 0.37 5.55 0.74 -1.26 -4.69 119.66 123.16 1aro s GLN 568 Ca 0.63 0.42 -0.27 0.00 0.05 0.00 0.00 55.36 56.18 1aro s GLN 568 Cb -0.82 -0.15 -0.09 0.00 1.10 0.00 0.00 33.01 33.04 1aro s GLN 568 CO 0.39 -0.16 1.26 0.16 -0.55 0.00 0.00 175.29 176.40 1aro s ASP 569 N 1.16 6.58 0.06 6.67 -4.77 -1.26 -4.59 116.67 120.52 1aro s ASP 569 Ca -0.09 2.58 -0.16 0.00 -3.30 0.00 0.00 52.55 51.58 1aro s ASP 569 Cb -0.11 -2.64 -0.18 0.00 -1.09 0.00 0.00 42.92 38.91 1aro s ASP 569 CO -0.07 -0.66 1.24 -0.29 0.70 0.00 0.00 175.17 176.10 1aro h ILE 570 N 2.68 1.34 -0.98 2.11 2.10 -1.85 -2.49 117.51 120.42 1aro h ILE 570 Ca -0.49 -1.91 0.20 0.00 1.08 0.00 0.00 64.86 63.74 1aro h ILE 570 Cb 1.23 2.16 -0.09 0.00 -1.09 0.00 0.00 36.82 39.03 1aro h ILE 570 CO 0.64 0.59 0.62 1.88 -1.08 0.00 0.00 178.15 180.79 1aro h TYR 571 N 0.26 0.85 0.12 2.19 0.05 -1.92 0.24 116.97 118.76 1aro h TYR 571 Ca -0.05 0.03 -0.30 0.00 0.05 0.00 0.00 58.73 58.46 1aro h TYR 571 Cb 1.27 -0.26 0.03 0.00 1.01 0.00 0.00 36.73 38.78 1aro h TYR 571 CO 0.11 0.19 -1.24 0.78 -1.05 0.00 0.00 178.16 176.95 1aro h GLY 572 N 0.61 0.69 0.73 3.88 0.00 -1.84 -3.07 103.07 104.07 1aro h GLY 572 Ca 0.55 -1.43 0.05 0.00 0.00 0.00 0.00 47.33 46.50 1aro h GLY 572 CO -0.31 1.26 0.38 -2.22 0.00 0.00 0.00 176.54 175.65 1aro h ILE 573 N 0.27 1.00 0.00 2.60 2.04 -0.21 0.83 117.51 124.04 1aro h ILE 573 Ca -0.18 -0.24 0.00 0.00 1.00 0.00 0.00 64.86 65.43 1aro h ILE 573 Cb 1.91 0.23 0.00 0.00 -0.74 0.00 0.00 36.82 38.22 1aro h ILE 573 CO 0.24 0.13 0.00 0.58 0.00 0.00 0.00 178.15 179.09 1aro h VAL 574 N 0.71 0.00 0.46 1.67 2.07 -0.74 -3.11 116.25 117.31 1aro h VAL 574 Ca 0.29 -0.34 -0.02 0.00 0.82 0.00 0.00 66.70 67.44 1aro h VAL 574 Cb 0.14 1.19 0.00 0.00 -1.52 0.00 0.00 31.29 31.11 1aro h VAL 574 CO -0.16 0.00 -0.22 0.00 0.02 0.00 0.00 177.57 177.21 1aro h ALA 575 N 2.13 -0.67 -0.79 1.67 0.00 -0.74 -2.91 119.26 117.96 1aro h ALA 575 Ca 0.00 -0.14 0.19 0.00 0.00 0.00 0.00 54.91 54.96 1aro h ALA 575 Cb 0.40 0.24 -0.13 0.00 0.00 0.00 0.00 17.79 18.30 1aro h ALA 575 CO 0.00 -0.62 0.10 1.57 0.00 0.00 0.00 179.25 180.29 1aro h LYS 576 N -1.07 0.15 -0.06 0.00 2.10 -1.42 0.44 116.57 116.71 1aro h LYS 576 Ca -0.06 -0.01 -0.01 0.00 -2.00 0.00 0.00 60.65 58.57 1aro h LYS 576 Cb 0.47 -0.03 -0.00 0.00 -0.90 0.00 0.00 32.23 31.77 1aro h LYS 576 CO 0.10 0.10 -0.01 -0.22 -2.00 0.00 0.00 179.45 177.43 1aro h LYS 577 N 0.16 0.08 0.49 0.07 1.63 -1.61 0.42 116.57 117.81 1aro h LYS 577 Ca 0.45 -0.01 -0.02 0.00 -0.85 0.00 0.00 60.65 60.22 1aro h LYS 577 Cb 0.83 -0.02 0.00 0.00 -0.60 0.00 0.00 32.23 32.45 1aro h LYS 577 CO -0.64 0.10 -0.24 0.28 -3.45 0.00 0.00 179.45 175.51 1aro h VAL 578 N 0.08 0.21 0.46 2.00 2.07 0.06 -2.83 116.25 118.29 1aro h VAL 578 Ca 0.02 -0.52 -0.02 0.00 0.82 0.00 0.00 66.70 67.01 1aro h VAL 578 Cb 0.08 0.32 -0.00 0.00 -1.52 0.00 0.00 31.29 30.16 1aro h VAL 578 CO 0.00 0.04 -0.26 0.78 0.02 0.00 0.00 177.57 178.15 1aro h ASN 579 N -1.09 -0.64 -0.95 0.57 2.35 -1.07 -0.95 115.58 113.81 1aro h ASN 579 Ca -0.07 0.03 0.29 0.00 -0.55 0.00 0.00 56.30 56.01 1aro h ASN 579 Cb 0.57 0.18 -0.16 0.00 0.05 0.00 0.00 38.32 38.97 1aro h ASN 579 CO 0.11 -0.42 0.29 -0.08 -1.65 0.00 0.00 177.43 175.68 1aro h GLU 580 N -0.67 0.13 -0.22 0.81 4.81 -0.30 0.52 114.58 119.66 1aro h GLU 580 Ca -0.05 -0.01 -0.09 0.00 -0.13 0.00 0.00 59.36 59.08 1aro h GLU 580 Cb 0.54 -0.03 -0.00 0.00 0.63 0.00 0.00 28.75 29.89 1aro h GLU 580 CO 0.07 0.08 -0.21 0.82 -0.73 0.00 0.00 179.01 179.04 1aro h ILE 581 N 0.13 1.32 0.00 2.32 2.04 -1.22 -2.37 117.51 119.74 1aro h ILE 581 Ca 0.65 -1.37 0.00 0.00 1.00 0.00 0.00 64.86 65.13 1aro h ILE 581 Cb 1.44 1.72 0.00 0.00 -0.74 0.00 0.00 36.82 39.24 1aro h ILE 581 CO -0.74 0.42 0.00 0.18 0.00 0.00 0.00 178.15 178.01 1aro n LEU 582 N -4.41 0.00 -0.01 1.44 4.77 0.18 -1.91 117.00 117.06 1aro n LEU 582 Ca -0.05 0.68 -0.01 0.00 -0.03 0.00 0.00 56.01 56.60 1aro n LEU 582 Cb 0.42 -0.18 -0.01 0.00 -2.33 0.00 0.00 43.42 41.32 1aro n LEU 582 CO 0.42 -0.18 0.50 1.56 -1.33 0.00 0.00 177.39 178.36 1aro h GLN 583 N 0.00 -0.03 0.00 3.23 4.20 -1.55 0.20 115.11 121.16 1aro h GLN 583 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1aro h GLN 583 Cb 0.00 0.01 0.00 0.00 0.30 0.00 0.00 27.48 27.79 1aro h GLN 583 CO 0.00 -0.02 0.00 0.00 -0.67 0.00 0.00 178.83 178.14 1aro n ALA 584 N -2.72 0.00 0.34 3.87 0.00 -0.89 -3.06 120.51 118.04 1aro n ALA 584 Ca -0.00 0.00 0.04 0.00 0.00 0.00 0.00 53.44 53.48 1aro n ALA 584 Cb 0.02 0.00 0.04 0.00 0.00 0.00 0.00 19.45 19.51 1aro n ALA 584 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1aro n ASP 585 N -0.28 1.80 -0.03 0.00 8.00 -0.80 -4.10 116.55 121.14 1aro n ASP 585 Ca 0.00 -1.41 -0.03 0.00 0.71 0.00 0.00 54.79 54.06 1aro n ASP 585 Cb 0.00 -0.01 -0.03 0.00 -0.02 0.00 0.00 41.12 41.06 1aro n ASP 585 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1aro h ALA 586 N 1.73 -0.05 0.56 2.24 0.00 -0.51 -1.78 119.26 121.44 1aro h ALA 586 Ca 0.00 -0.10 -0.03 0.00 0.00 0.00 0.00 54.91 54.78 1aro h ALA 586 Cb 0.39 0.02 0.01 0.00 0.00 0.00 0.00 17.79 18.20 1aro h ALA 586 CO 0.00 -0.05 -0.27 0.82 0.00 0.00 0.00 179.25 179.75 1aro h ILE 587 N -1.01 0.43 -0.09 0.00 2.04 -1.46 -2.70 117.51 114.74 1aro h ILE 587 Ca -0.01 -0.12 -0.03 0.00 1.00 0.00 0.00 64.86 65.71 1aro h ILE 587 Cb 0.22 0.48 -0.02 0.00 -0.74 0.00 0.00 36.82 36.77 1aro h ILE 587 CO 0.01 0.02 0.04 0.59 0.00 0.00 0.00 178.15 178.80 1aro n ASN 588 N -5.38 2.28 0.00 1.72 4.13 -1.24 -5.02 115.26 111.75 1aro n ASN 588 Ca -0.12 -2.14 0.00 0.00 1.68 0.00 0.00 54.58 53.99 1aro n ASN 588 Cb 0.32 -0.53 0.00 0.00 -1.54 0.00 0.00 39.78 38.03 1aro n ASN 588 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1aro n GLY 589 N 0.19 2.19 5.70 7.41 0.00 -0.67 -4.82 105.19 115.19 1aro n GLY 589 Ca 0.05 -0.64 0.00 0.00 0.00 0.00 0.00 46.02 45.43 1aro n GLY 589 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1aro n GLY 612 N 0.00 0.77 4.10 -0.02 0.00 -1.26 -5.63 105.19 103.16 1aro n GLY 612 Ca 0.00 0.49 -0.28 0.00 0.00 0.00 0.00 46.02 46.23 1aro n GLY 612 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1aro n THR 613 N 0.00 -0.82 0.96 2.61 -1.04 -1.26 -4.72 114.28 110.01 1aro n THR 613 Ca 0.00 -0.41 0.00 0.00 -2.04 0.00 0.00 64.05 61.60 1aro n THR 613 Cb 0.00 -0.85 0.01 0.00 -1.82 0.00 0.00 70.33 67.67 1aro n THR 613 CO 0.00 0.00 0.00 1.17 -0.64 0.00 0.00 175.07 175.60 1aro n LYS 614 N -4.12 1.06 -1.25 -2.82 4.81 -1.26 -3.00 118.16 111.58 1aro n LYS 614 Ca -0.27 -0.06 -0.20 0.00 -0.87 0.00 0.00 58.31 56.91 1aro n LYS 614 Cb 0.60 -1.40 0.13 0.00 0.02 0.00 0.00 35.03 34.38 1aro n LYS 614 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1aro n ALA 615 N 0.11 5.29 1.42 3.14 0.00 -1.26 -4.46 120.51 124.74 1aro n ALA 615 Ca 0.01 -3.29 0.14 0.00 0.00 0.00 0.00 53.44 50.30 1aro n ALA 615 Cb 0.32 -1.11 0.63 0.00 0.00 0.00 0.00 19.45 19.29 1aro n ALA 615 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1aro n LEU 616 N -1.01 0.42 -0.21 0.00 4.77 -1.16 -3.61 117.00 116.20 1aro n LEU 616 Ca 0.49 0.03 0.00 0.00 -0.03 0.00 0.00 56.01 56.51 1aro n LEU 616 Cb 1.07 -0.19 0.00 0.00 -2.33 0.00 0.00 43.42 41.97 1aro n LEU 616 CO 0.48 0.08 0.08 0.00 -1.33 0.00 0.00 177.39 176.71 1aro n ALA 617 N -0.99 1.55 -0.03 -1.18 0.00 -1.26 -0.93 120.51 117.67 1aro n ALA 617 Ca 0.15 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.51 1aro n ALA 617 Cb 0.27 -1.00 -0.03 0.00 0.00 0.00 0.00 19.45 18.70 1aro n ALA 617 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1aro n GLY 618 N -0.00 -0.13 0.22 0.00 0.00 -1.24 -3.94 105.19 100.10 1aro n GLY 618 Ca 0.00 -0.04 -0.00 0.00 0.00 0.00 0.00 46.02 45.97 1aro n GLY 618 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 1aro h GLN 619 N -0.28 0.18 -0.06 1.61 4.20 -1.27 0.19 115.11 119.67 1aro h GLN 619 Ca -0.18 -0.01 -0.09 0.00 0.06 0.00 0.00 58.65 58.43 1aro h GLN 619 Cb 1.07 -0.04 0.00 0.00 0.30 0.00 0.00 27.48 28.82 1aro h GLN 619 CO -0.11 0.12 -0.32 -1.49 -0.67 0.00 0.00 178.83 176.36 1aro h TRP 620 N 0.18 0.44 0.00 2.96 4.06 -1.69 -3.13 115.95 118.77 1aro h TRP 620 Ca 0.30 -0.20 0.00 0.00 2.06 0.00 0.00 58.89 61.05 1aro h TRP 620 Cb 0.45 -0.07 0.00 0.00 -1.00 0.00 0.00 29.16 28.55 1aro h TRP 620 CO -0.29 0.94 0.00 -0.07 -3.56 0.00 0.00 178.44 175.45 1aro h LEU 621 N -0.18 0.00 0.00 -4.49 3.38 -1.56 0.94 115.31 113.40 1aro h LEU 621 Ca -0.02 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.88 1aro h LEU 621 Cb 0.98 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.72 1aro h LEU 621 CO 0.07 0.00 -0.44 0.00 0.09 0.00 0.00 178.44 178.15 1aro h ALA 622 N 2.01 0.77 0.04 1.53 0.00 -0.65 -3.34 119.26 119.62 1aro h ALA 622 Ca 0.00 -0.31 -0.38 0.00 0.00 0.00 0.00 54.91 54.22 1aro h ALA 622 Cb 0.21 -0.02 -0.05 0.00 0.00 0.00 0.00 17.79 17.93 1aro h ALA 622 CO 0.00 0.41 -2.29 0.98 0.00 0.00 0.00 179.25 178.35 1aro n TYR 623 N -3.12 0.44 0.00 0.00 4.19 -0.13 -5.05 117.16 113.48 1aro n TYR 623 Ca 0.02 0.10 0.00 0.00 3.31 0.00 0.00 57.90 61.33 1aro n TYR 623 Cb 0.67 -1.06 0.00 0.00 0.49 0.00 0.00 39.34 39.44 1aro n TYR 623 CO 0.00 0.00 0.00 0.41 0.91 0.00 0.00 176.86 178.18 1aro n GLY 624 N 2.07 2.94 3.14 2.98 0.00 0.31 -5.04 105.19 111.59 1aro n GLY 624 Ca -0.42 -1.42 -0.34 0.00 0.00 0.00 0.00 46.02 43.84 1aro n GLY 624 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1aro s VAL 625 N -0.37 2.82 0.53 1.61 1.01 -1.26 -4.90 120.40 119.84 1aro s VAL 625 Ca 0.00 -1.54 0.06 0.00 0.00 0.00 0.00 61.98 60.50 1aro s VAL 625 Cb 0.00 -2.68 0.03 0.00 0.00 0.00 0.00 36.38 33.73 1aro s VAL 625 CO 0.00 -0.16 0.41 0.42 0.00 0.00 0.00 175.10 175.76 1aro s THR 626 N 1.20 1.81 -1.21 3.92 -4.23 -1.26 -4.96 115.64 110.90 1aro s THR 626 Ca -0.04 -1.47 0.24 0.00 -1.18 0.00 0.00 61.69 59.25 1aro s THR 626 Cb -0.20 -2.27 0.31 0.00 1.34 0.00 0.00 72.50 71.68 1aro s THR 626 CO -0.02 0.00 1.79 -2.11 -0.54 0.00 0.00 174.62 173.74 1aro n ARG 627 N -1.74 0.17 -0.02 3.99 -4.01 -1.26 -2.59 116.66 111.20 1aro n ARG 627 Ca -0.00 0.07 0.11 0.00 -1.04 0.00 0.00 57.85 56.99 1aro n ARG 627 Cb 0.64 -1.50 0.54 0.00 -3.04 0.00 0.00 32.46 29.10 1aro n ARG 627 CO 0.00 0.00 0.00 0.43 -3.04 0.00 0.00 177.63 175.02 1aro n SER 628 N -1.40 0.59 -0.00 2.89 7.64 -1.26 -3.72 113.62 118.37 1aro n SER 628 Ca 0.09 -1.46 -0.00 0.00 1.01 0.00 0.00 58.87 58.50 1aro n SER 628 Cb 0.24 -0.03 -0.00 0.00 -1.01 0.00 0.00 64.21 63.41 1aro n SER 628 CO 0.00 0.00 0.00 0.55 -3.01 0.00 0.00 175.04 172.58 1aro n VAL 629 N -0.42 0.01 -2.45 0.44 3.14 -1.07 -4.75 118.33 113.22 1aro n VAL 629 Ca 0.16 -0.01 -0.35 0.00 -2.96 0.00 0.00 64.34 61.18 1aro n VAL 629 Cb 0.17 -0.34 0.01 0.00 -1.06 0.00 0.00 33.84 32.61 1aro n VAL 629 CO 0.00 0.00 0.00 0.41 -6.46 0.00 0.00 176.83 170.78 1aro n THR 630 N -1.79 4.04 0.00 1.55 -1.04 -1.24 -4.53 114.28 111.28 1aro n THR 630 Ca -0.00 -5.20 0.00 0.00 -2.04 0.00 0.00 64.05 56.81 1aro n THR 630 Cb 0.29 -1.37 0.00 0.00 -1.82 0.00 0.00 70.33 67.43 1aro n THR 630 CO 0.00 0.00 0.00 2.29 -0.64 0.00 0.00 175.07 176.72 1aro n LYS 631 N -0.32 0.00 -0.03 -2.82 2.85 -1.26 -4.64 118.16 111.95 1aro n LYS 631 Ca 0.44 0.00 0.02 0.00 -1.05 0.00 0.00 58.31 57.72 1aro n LYS 631 Cb 0.35 -0.41 0.35 0.00 -0.65 0.00 0.00 35.03 34.68 1aro n LYS 631 CO 0.00 0.00 0.00 -0.09 -0.05 0.00 0.00 177.40 177.26 1aro h ARG 632 N 0.00 0.59 0.16 -1.58 9.65 -1.89 -2.81 114.38 118.50 1aro h ARG 632 Ca 0.00 -0.07 -0.31 0.00 -1.10 0.00 0.00 59.98 58.50 1aro h ARG 632 Cb 0.00 -0.12 0.01 0.00 -1.39 0.00 0.00 29.97 28.47 1aro h ARG 632 CO 0.00 0.47 -1.56 0.66 2.80 0.00 0.00 179.97 182.34 1aro h SER 633 N 0.60 0.53 0.00 -3.80 4.64 -1.89 -3.28 113.55 110.35 1aro h SER 633 Ca 0.15 -0.91 0.00 0.00 -0.47 0.00 0.00 61.79 60.56 1aro h SER 633 Cb 0.07 -0.17 0.00 0.00 -0.31 0.00 0.00 62.40 61.99 1aro h SER 633 CO -0.02 1.70 0.05 0.55 -0.87 0.00 0.00 176.83 178.24 1aro n VAL 634 N -3.76 1.42 0.37 0.95 3.14 -1.10 0.89 118.33 120.24 1aro n VAL 634 Ca -0.24 0.41 0.04 0.00 -2.96 0.00 0.00 64.34 61.59 1aro n VAL 634 Cb 1.00 -1.41 0.02 0.00 -1.06 0.00 0.00 33.84 32.39 1aro n VAL 634 CO 0.00 0.00 0.00 1.15 -6.46 0.00 0.00 176.83 171.52 1aro n MET 635 N -1.34 1.10 -1.14 1.45 0.00 -1.08 -4.50 117.12 111.60 1aro n MET 635 Ca 0.00 -0.81 -0.19 0.00 0.00 0.00 0.00 57.70 56.70 1aro n MET 635 Cb 0.05 -1.11 0.20 0.00 0.00 0.00 0.00 33.22 32.37 1aro n MET 635 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 175.97 178.38 1aro n THR 636 N 0.14 3.08 0.00 3.17 -1.04 0.26 -4.72 114.28 115.17 1aro n THR 636 Ca 0.04 -1.99 0.00 0.00 -2.04 0.00 0.00 64.05 60.07 1aro n THR 636 Cb 0.20 -0.43 0.00 0.00 -1.82 0.00 0.00 70.33 68.28 1aro n THR 636 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 1aro n LEU 637 N -1.00 0.00 0.00 -4.42 4.32 -1.24 -3.32 117.00 111.34 1aro n LEU 637 Ca 0.54 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 56.53 1aro n LEU 637 Cb 1.55 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 43.35 1aro n LEU 637 CO 0.53 0.00 0.00 0.00 -1.22 0.00 0.00 177.39 176.70 1aro n ALA 638 N -0.76 0.07 -0.01 -1.18 0.00 -1.26 -4.88 120.51 112.49 1aro n ALA 638 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.35 1aro n ALA 638 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.42 1aro n ALA 638 CO 0.00 0.00 0.00 1.88 0.00 0.00 0.00 177.50 179.38 1aro h TYR 639 N 0.00 -0.46 -3.20 0.00 0.05 -1.92 -3.36 116.97 108.08 1aro h TYR 639 Ca 0.00 0.03 -0.54 0.00 0.05 0.00 0.00 58.73 58.27 1aro h TYR 639 Cb 0.00 0.23 -0.00 0.00 1.01 0.00 0.00 36.73 37.96 1aro h TYR 639 CO 0.00 -0.25 0.56 0.20 -1.05 0.00 0.00 178.16 177.62 1aro s GLY 640 N -2.68 2.42 0.00 3.88 0.00 -1.21 -4.98 107.32 104.75 1aro s GLY 640 Ca -0.15 0.79 0.00 0.00 0.00 0.00 0.00 44.72 45.36 1aro s GLY 640 CO 0.68 2.03 0.00 1.44 0.00 0.00 0.00 173.10 177.25 1aro n SER 641 N 4.10 0.55 -3.06 1.64 7.64 -1.26 -4.06 113.62 119.17 1aro n SER 641 Ca 0.09 0.00 -0.28 0.00 1.01 0.00 0.00 58.87 59.69 1aro n SER 641 Cb 0.47 0.00 0.01 0.00 -1.01 0.00 0.00 64.21 63.68 1aro n SER 641 CO 0.00 0.00 0.00 1.17 -3.01 0.00 0.00 175.04 173.20 1aro n LYS 642 N 0.00 0.00 -0.00 1.43 4.81 -1.26 -2.85 118.16 120.28 1aro n LYS 642 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 1aro n LYS 642 Cb 0.00 -0.73 0.00 0.00 0.02 0.00 0.00 35.03 34.32 1aro n LYS 642 CO 0.00 0.00 0.00 -0.85 1.17 0.00 0.00 177.40 177.72 1aro n GLU 643 N 1.26 -0.00 -0.17 1.64 0.28 -1.26 0.20 120.64 122.58 1aro n GLU 643 Ca 0.04 0.01 0.25 0.00 -0.16 0.00 0.00 57.16 57.30 1aro n GLU 643 Cb 0.36 -0.01 0.66 0.00 1.43 0.00 0.00 31.44 33.88 1aro n GLU 643 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 177.13 177.32 1aro h PHE 644 N 0.00 0.15 0.00 -1.84 3.57 -1.97 1.31 116.94 118.16 1aro h PHE 644 Ca 0.00 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.51 1aro h PHE 644 Cb 0.01 -0.04 0.00 0.00 2.79 0.00 0.00 35.95 38.71 1aro h PHE 644 CO -0.00 0.04 -0.49 0.41 -2.23 0.00 0.00 178.31 176.04 1aro n GLY 645 N -1.65 -1.40 0.11 2.40 0.00 0.52 -3.64 105.19 101.53 1aro n GLY 645 Ca 0.18 -0.24 -0.18 0.00 0.00 0.00 0.00 46.02 45.78 1aro n GLY 645 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 1aro h PHE 646 N 0.00 0.59 0.19 1.61 -1.00 0.15 -3.25 116.94 115.24 1aro h PHE 646 Ca 0.00 -0.43 0.01 0.00 2.81 0.00 0.00 57.97 60.36 1aro h PHE 646 Cb 0.66 -0.02 -0.04 0.00 3.61 0.00 0.00 35.95 40.16 1aro h PHE 646 CO 0.00 1.34 -0.38 0.00 -1.61 0.00 0.00 178.31 177.67 1aro h ARG 647 N 0.09 -0.63 0.00 1.51 3.08 -1.34 0.50 114.38 117.59 1aro h ARG 647 Ca -0.16 0.04 -0.04 0.00 0.07 0.00 0.00 59.98 59.89 1aro h ARG 647 Cb 2.02 0.14 -0.01 0.00 0.08 0.00 0.00 29.97 32.20 1aro h ARG 647 CO 0.22 -0.42 -0.20 0.37 -1.07 0.00 0.00 179.97 178.86 1aro h GLN 648 N -0.65 0.00 0.00 0.04 5.75 -1.71 0.44 115.11 118.98 1aro h GLN 648 Ca 0.01 0.00 -0.00 0.00 -0.15 0.00 0.00 58.65 58.51 1aro h GLN 648 Cb 0.65 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.20 1aro h GLN 648 CO -0.18 0.20 -0.00 1.96 -2.65 0.00 0.00 178.83 178.16 1aro h GLN 649 N 0.00 -0.00 0.64 1.69 4.20 -1.49 -0.62 115.11 119.52 1aro h GLN 649 Ca -0.00 0.00 -0.02 0.00 0.06 0.00 0.00 58.65 58.68 1aro h GLN 649 Cb 0.59 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.36 1aro h GLN 649 CO 0.03 0.96 -0.41 0.28 -0.67 0.00 0.00 178.83 179.01 1aro h VAL 650 N -0.99 0.17 -0.50 -0.54 2.07 0.10 0.79 116.25 117.35 1aro h VAL 650 Ca -0.00 0.00 0.15 0.00 0.82 0.00 0.00 66.70 67.67 1aro h VAL 650 Cb 0.96 0.17 -0.02 0.00 -1.52 0.00 0.00 31.29 30.88 1aro h VAL 650 CO 0.00 0.00 0.42 0.25 0.02 0.00 0.00 177.57 178.26 1aro h LEU 651 N -0.99 0.00 0.00 2.57 5.85 -0.23 -1.04 115.31 121.47 1aro h LEU 651 Ca -0.08 0.00 -0.18 0.00 0.84 0.00 0.00 57.88 58.46 1aro h LEU 651 Cb 0.81 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 41.81 1aro h LEU 651 CO 0.07 0.00 -1.49 1.21 -0.34 0.00 0.00 178.44 177.89 1aro n GLU 652 N -4.09 0.63 -0.13 1.25 2.13 -0.24 -3.12 120.64 117.06 1aro n GLU 652 Ca 0.09 0.20 -0.23 0.00 0.66 0.00 0.00 57.16 57.88 1aro n GLU 652 Cb 0.63 -1.79 -0.11 0.00 0.27 0.00 0.00 31.44 30.44 1aro n GLU 652 CO 0.00 0.00 0.00 -0.25 -0.41 0.00 0.00 177.13 176.47 1aro n ASP 653 N -2.87 1.97 -0.08 4.31 8.00 0.26 -4.68 116.55 123.47 1aro n ASP 653 Ca -0.11 0.08 -0.16 0.00 0.71 0.00 0.00 54.79 55.31 1aro n ASP 653 Cb 0.85 -0.60 -0.06 0.00 -0.02 0.00 0.00 41.12 41.29 1aro n ASP 653 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 1aro n THR 654 N -3.70 0.92 0.00 -3.53 -2.24 -0.49 -4.58 114.28 100.65 1aro n THR 654 Ca -0.50 -0.27 0.00 0.00 -2.27 0.00 0.00 64.05 61.02 1aro n THR 654 Cb 0.94 -1.53 0.00 0.00 -2.10 0.00 0.00 70.33 67.65 1aro n THR 654 CO 0.00 0.00 0.00 -0.38 -0.57 0.00 0.00 175.07 174.12 1aro n ILE 655 N -3.52 0.00 -0.29 2.28 5.41 -1.22 -3.04 119.36 118.99 1aro n ILE 655 Ca -0.32 1.21 0.11 0.00 1.00 0.00 0.00 62.75 64.75 1aro n ILE 655 Cb 0.75 -2.17 0.26 0.00 -0.71 0.00 0.00 39.64 37.77 1aro n ILE 655 CO 0.00 0.00 0.00 -0.61 0.00 0.00 0.00 176.55 175.94 1aro h GLN 656 N 0.00 0.22 0.00 0.38 5.75 -1.82 0.33 115.11 119.96 1aro h GLN 656 Ca 0.00 -0.01 0.00 0.00 -0.15 0.00 0.00 58.65 58.49 1aro h GLN 656 Cb 0.00 -0.05 0.00 0.00 1.07 0.00 0.00 27.48 28.50 1aro h GLN 656 CO 0.00 0.14 0.00 -2.30 -2.65 0.00 0.00 178.83 174.02 1aro n PRO 657 N -5.21 0.62 -0.07 -2.39 -0.02 -1.25 -2.17 135.00 124.51 1aro n PRO 657 Ca 0.19 0.00 -0.06 0.00 -2.02 0.00 0.00 63.50 61.61 1aro n PRO 657 Cb 0.62 -1.40 -0.13 0.00 -0.02 0.00 0.00 33.50 32.58 1aro n PRO 657 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1aro n ALA 658 N -0.90 1.72 0.12 3.55 0.00 0.11 -4.28 120.51 120.83 1aro n ALA 658 Ca 0.12 -0.99 -0.02 0.00 0.00 0.00 0.00 53.44 52.55 1aro n ALA 658 Cb 0.05 -0.14 0.12 0.00 0.00 0.00 0.00 19.45 19.48 1aro n ALA 658 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 1aro h ILE 659 N 0.00 1.49 -0.43 0.00 2.04 -1.03 0.87 117.51 120.44 1aro h ILE 659 Ca -0.39 -2.34 -0.03 0.00 1.00 0.00 0.00 64.86 63.11 1aro h ILE 659 Cb 1.86 2.26 -0.02 0.00 -0.74 0.00 0.00 36.82 40.17 1aro h ILE 659 CO 0.02 0.67 0.16 -2.24 0.00 0.00 0.00 178.15 176.75 1aro h ASP 660 N 0.00 0.57 -0.37 1.72 2.03 -1.65 -2.33 116.42 116.39 1aro h ASP 660 Ca -0.01 -0.07 0.00 0.00 -0.73 0.00 0.00 57.03 56.23 1aro h ASP 660 Cb 1.21 -0.15 0.00 0.00 -0.83 0.00 0.00 39.33 39.56 1aro h ASP 660 CO 0.09 0.53 0.00 -1.54 -1.03 0.00 0.00 179.24 177.29 1aro n SER 661 N -4.35 3.11 -3.10 4.15 3.41 -1.20 -4.99 113.62 110.65 1aro n SER 661 Ca 0.03 -1.91 -0.12 0.00 -0.26 0.00 0.00 58.87 56.62 1aro n SER 661 Cb 0.16 -0.24 0.06 0.00 -0.26 0.00 0.00 64.21 63.93 1aro n SER 661 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1aro n GLY 662 N 1.04 -1.05 0.00 5.00 0.00 -0.79 -4.93 105.19 104.47 1aro n GLY 662 Ca 0.15 0.51 0.00 0.00 0.00 0.00 0.00 46.02 46.69 1aro n GLY 662 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1aro n LYS 663 N -2.90 0.14 -0.07 1.61 4.76 0.30 -4.78 118.16 117.22 1aro n LYS 663 Ca -0.06 -0.43 0.04 0.00 -2.87 0.00 0.00 58.31 54.99 1aro n LYS 663 Cb 0.59 -0.70 0.07 0.00 -1.84 0.00 0.00 35.03 33.16 1aro n LYS 663 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1aro n GLY 664 N -0.07 3.45 0.29 0.72 0.00 -1.07 -4.81 105.19 103.71 1aro n GLY 664 Ca 0.00 -0.37 0.23 0.00 0.00 0.00 0.00 46.02 45.88 1aro n GLY 664 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1aro n LEU 665 N -0.57 0.04 0.06 0.99 7.94 -1.26 0.19 117.00 124.40 1aro n LEU 665 Ca 0.06 0.56 0.01 0.00 -1.11 0.00 0.00 56.01 55.54 1aro n LEU 665 Cb 0.40 -0.28 0.34 0.00 0.53 0.00 0.00 43.42 44.41 1aro n LEU 665 CO 0.02 -0.59 0.91 0.00 -1.11 0.00 0.00 177.39 176.62 1aro h MET 666 N 0.00 0.38 -5.82 1.96 -0.00 -1.89 -3.36 114.93 106.19 1aro h MET 666 Ca 0.44 -0.08 -0.62 0.00 -0.00 0.00 0.00 59.70 59.44 1aro h MET 666 Cb 1.63 -0.05 -0.08 0.00 -0.00 0.00 0.00 31.60 33.10 1aro h MET 666 CO -0.10 0.46 2.00 -0.06 -0.00 0.00 0.00 176.91 179.22 1aro s PHE 667 N -4.84 2.64 0.04 -0.10 0.08 0.51 -4.78 117.98 111.53 1aro s PHE 667 Ca -0.06 -1.28 -0.24 0.00 0.12 0.00 0.00 56.93 55.46 1aro s PHE 667 Cb 0.15 -4.64 -0.17 0.00 -0.57 0.00 0.00 43.02 37.78 1aro s PHE 667 CO 0.75 -1.73 1.52 1.79 -0.10 0.00 0.00 175.22 177.44 1aro h THR 668 N 5.73 1.16 -3.70 0.64 1.35 -1.83 -3.39 112.91 112.88 1aro h THR 668 Ca 0.40 -0.53 -0.66 0.00 -0.55 0.00 0.00 66.41 65.07 1aro h THR 668 Cb 0.89 1.52 -0.21 0.00 -1.73 0.00 0.00 68.15 68.61 1aro h THR 668 CO 1.42 0.14 -0.56 -1.10 -0.25 0.00 0.00 175.52 175.17 1aro s GLN 669 N -5.28 3.53 0.00 4.72 -1.52 -1.26 -5.06 119.66 114.79 1aro s GLN 669 Ca -0.14 -0.58 0.00 0.00 -1.95 0.00 0.00 55.36 52.68 1aro s GLN 669 Cb 0.04 -3.53 0.00 0.00 -0.22 0.00 0.00 33.01 29.30 1aro s GLN 669 CO 0.66 -0.32 0.00 -0.35 -0.25 0.00 0.00 175.29 175.04 1aro n PRO 670 N 4.99 0.00 -0.31 2.91 -0.04 -1.26 -3.34 135.00 137.94 1aro n PRO 670 Ca -0.14 0.00 0.04 0.00 -0.04 0.00 0.00 63.50 63.36 1aro n PRO 670 Cb 0.50 -0.33 0.11 0.00 -0.04 0.00 0.00 33.50 33.74 1aro n PRO 670 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1aro n ASN 671 N 0.00 -0.34 0.24 3.54 3.02 -1.26 0.14 115.26 120.60 1aro n ASN 671 Ca 0.00 1.48 0.14 0.00 -0.03 0.00 0.00 54.58 56.17 1aro n ASN 671 Cb 0.00 -0.44 0.80 0.00 -0.61 0.00 0.00 39.78 39.54 1aro n ASN 671 CO 0.00 0.00 0.00 -0.61 -2.62 0.00 0.00 177.26 174.03 1aro h GLN 672 N 0.00 0.00 0.22 3.52 4.15 -1.99 0.34 115.11 121.34 1aro h GLN 672 Ca 0.40 0.00 -0.01 0.00 0.77 0.00 0.00 58.65 59.81 1aro h GLN 672 Cb 0.61 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.31 1aro h GLN 672 CO -0.88 0.00 -0.10 0.00 -1.93 0.00 0.00 178.83 175.92 1aro h ALA 673 N 1.92 -0.29 0.10 3.38 0.00 0.12 -2.56 119.26 121.92 1aro h ALA 673 Ca 0.04 -0.20 0.02 0.00 0.00 0.00 0.00 54.91 54.77 1aro h ALA 673 Cb 0.21 0.11 -0.05 0.00 0.00 0.00 0.00 17.79 18.07 1aro h ALA 673 CO -0.00 -0.43 -0.44 0.00 0.00 0.00 0.00 179.25 178.38 1aro h ALA 674 N -0.15 -0.77 -0.97 0.00 0.00 -1.02 -1.35 119.26 115.00 1aro h ALA 674 Ca -0.03 -0.07 0.26 0.00 0.00 0.00 0.00 54.91 55.07 1aro h ALA 674 Cb 0.50 0.74 -0.06 0.00 0.00 0.00 0.00 17.79 18.98 1aro h ALA 674 CO 0.05 -1.00 0.67 0.78 0.00 0.00 0.00 179.25 179.74 1aro h GLY 675 N -0.66 0.47 0.96 0.00 0.00 -1.04 0.18 103.07 102.99 1aro h GLY 675 Ca 0.02 -0.09 -0.11 0.00 0.00 0.00 0.00 47.33 47.15 1aro h GLY 675 CO -0.26 -0.03 -0.23 -1.82 0.00 0.00 0.00 176.54 174.19 1aro h TYR 676 N 0.18 0.83 -0.27 5.60 3.20 -0.82 -2.92 116.97 122.77 1aro h TYR 676 Ca 0.49 -0.23 -0.03 0.00 3.14 0.00 0.00 58.73 62.10 1aro h TYR 676 Cb 1.62 -0.18 -0.01 0.00 1.54 0.00 0.00 36.73 39.70 1aro h TYR 676 CO -0.00 0.96 0.05 1.98 -1.64 0.00 0.00 178.16 179.50 1aro h MET 677 N 0.45 0.45 -0.26 1.82 4.05 -0.58 -2.89 114.93 117.98 1aro h MET 677 Ca 0.06 -0.12 0.03 0.00 -0.28 0.00 0.00 59.70 59.39 1aro h MET 677 Cb 0.79 -0.05 -0.05 0.00 -0.80 0.00 0.00 31.60 31.48 1aro h MET 677 CO 0.06 0.56 -0.35 0.00 0.23 0.00 0.00 176.91 177.42 1aro h ALA 678 N 0.87 -0.60 -1.11 0.39 0.00 -1.22 1.06 119.26 118.64 1aro h ALA 678 Ca 0.08 -0.00 0.41 0.00 0.00 0.00 0.00 54.91 55.40 1aro h ALA 678 Cb 0.33 0.97 -0.16 0.00 0.00 0.00 0.00 17.79 18.93 1aro h ALA 678 CO 0.00 -0.77 0.65 0.87 0.00 0.00 0.00 179.25 180.01 1aro h LYS 679 N -0.25 0.09 -0.14 0.00 1.57 -1.42 0.51 116.57 116.92 1aro h LYS 679 Ca 0.05 -0.01 -0.13 0.00 -1.87 0.00 0.00 60.65 58.69 1aro h LYS 679 Cb 0.37 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.67 1aro h LYS 679 CO -0.37 0.06 -0.40 -0.07 -0.57 0.00 0.00 179.45 178.10 1aro h LEU 680 N 0.09 0.60 0.06 2.94 3.38 0.10 -2.11 115.31 120.38 1aro h LEU 680 Ca 0.82 -0.59 -0.00 0.00 0.09 0.00 0.00 57.88 58.20 1aro h LEU 680 Cb 2.25 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 42.83 1aro h LEU 680 CO -0.63 1.08 -0.03 0.40 0.09 0.00 0.00 178.44 179.36 1aro h ILE 681 N 0.15 1.02 -0.48 1.22 1.08 0.49 -1.81 117.51 119.17 1aro h ILE 681 Ca -0.01 -0.26 0.03 0.00 -0.39 0.00 0.00 64.86 64.24 1aro h ILE 681 Cb 1.02 1.19 -0.04 0.00 -3.07 0.00 0.00 36.82 35.92 1aro h ILE 681 CO 0.09 0.07 0.26 -0.25 -0.69 0.00 0.00 178.15 177.62 1aro h TRP 682 N -0.20 0.48 -0.13 1.37 2.91 -0.79 0.11 115.95 119.70 1aro h TRP 682 Ca -0.01 0.02 -0.06 0.00 1.13 0.00 0.00 58.89 59.97 1aro h TRP 682 Cb 0.17 -0.15 -0.01 0.00 -0.51 0.00 0.00 29.16 28.66 1aro h TRP 682 CO -0.04 0.25 -0.20 1.49 -1.03 0.00 0.00 178.44 178.92 1aro h GLU 683 N 0.51 0.22 -0.07 2.65 4.57 -1.35 0.12 114.58 121.23 1aro h GLU 683 Ca 0.21 -0.06 -0.19 0.00 -1.18 0.00 0.00 59.36 58.13 1aro h GLU 683 Cb 0.09 -0.02 -0.00 0.00 -0.16 0.00 0.00 28.75 28.65 1aro h GLU 683 CO -0.13 0.42 -0.76 0.77 -1.18 0.00 0.00 179.01 178.13 1aro h SER 684 N 0.21 0.52 -0.05 1.04 0.02 -0.45 -3.21 113.55 111.63 1aro h SER 684 Ca 0.04 -0.35 -0.09 0.00 -0.84 0.00 0.00 61.79 60.54 1aro h SER 684 Cb 0.48 -0.15 0.01 0.00 0.14 0.00 0.00 62.40 62.87 1aro h SER 684 CO 0.03 1.11 -0.33 -0.37 -1.14 0.00 0.00 176.83 176.13 1aro h VAL 685 N 0.29 1.45 0.00 2.27 -1.51 -0.53 -2.15 116.25 116.07 1aro h VAL 685 Ca -0.04 -1.80 0.00 0.00 -1.23 0.00 0.00 66.70 63.63 1aro h VAL 685 Cb 1.35 2.45 0.00 0.00 -2.13 0.00 0.00 31.29 32.96 1aro h VAL 685 CO 0.13 0.51 0.00 -1.20 -1.23 0.00 0.00 177.57 175.79 1aro n SER 686 N -4.43 0.00 0.00 4.19 7.64 0.38 -1.05 113.62 120.36 1aro n SER 686 Ca -0.09 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.79 1aro n SER 686 Cb 0.52 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.72 1aro n SER 686 CO 0.00 0.00 0.00 0.52 -3.01 0.00 0.00 175.04 172.55 1aro n VAL 687 N -0.75 0.00 0.06 0.44 0.31 -1.16 -4.65 118.33 112.57 1aro n VAL 687 Ca 0.00 0.00 -0.08 0.00 -0.01 0.00 0.00 64.34 64.25 1aro n VAL 687 Cb 0.00 -0.65 -0.05 0.00 -0.91 0.00 0.00 33.84 32.22 1aro n VAL 687 CO 0.00 0.00 0.00 0.74 -1.32 0.00 0.00 176.83 176.25 1aro h THR 688 N 0.00 0.47 -3.16 2.52 2.02 -0.40 -3.40 112.91 110.96 1aro h THR 688 Ca 0.00 -1.03 -0.65 0.00 0.77 0.00 0.00 66.41 65.50 1aro h THR 688 Cb 0.70 0.82 -0.40 0.00 -1.74 0.00 0.00 68.15 67.53 1aro h THR 688 CO 0.00 0.13 -0.42 0.68 0.37 0.00 0.00 175.52 176.28 1aro s VAL 689 N -2.89 3.35 0.06 3.16 -7.23 -0.73 -2.84 120.40 113.29 1aro s VAL 689 Ca -0.09 -4.16 -0.26 0.00 -1.81 0.00 0.00 61.98 55.67 1aro s VAL 689 Cb 0.00 -3.15 -0.17 0.00 0.56 0.00 0.00 36.38 33.62 1aro s VAL 689 CO 0.31 -1.03 1.60 1.62 -0.31 0.00 0.00 175.10 177.29 1aro h VAL 690 N 4.30 0.85 -0.80 1.32 3.04 -1.78 -3.20 116.25 119.97 1aro h VAL 690 Ca 0.15 -0.20 -0.00 0.00 -1.01 0.00 0.00 66.70 65.64 1aro h VAL 690 Cb 0.77 0.97 -0.04 0.00 -2.01 0.00 0.00 31.29 30.98 1aro h VAL 690 CO 0.76 0.05 0.49 0.00 -1.01 0.00 0.00 177.57 177.86 1aro h ALA 691 N 0.42 1.36 -0.39 3.17 0.00 -1.93 -1.15 119.26 120.73 1aro h ALA 691 Ca -0.03 -0.08 0.05 0.00 0.00 0.00 0.00 54.91 54.85 1aro h ALA 691 Cb 0.28 -0.33 -0.05 0.00 0.00 0.00 0.00 17.79 17.70 1aro h ALA 691 CO 0.04 0.56 0.13 0.00 0.00 0.00 0.00 179.25 179.98 1aro h ALA 692 N 1.44 0.45 -0.38 0.00 0.00 -1.84 0.81 119.26 119.75 1aro h ALA 692 Ca 0.29 0.05 -0.14 0.00 0.00 0.00 0.00 54.91 55.12 1aro h ALA 692 Cb -0.06 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 1aro h ALA 692 CO -0.06 -0.27 -0.30 -0.24 0.00 0.00 0.00 179.25 178.38 1aro h VAL 693 N 0.28 1.28 0.14 0.00 3.04 -1.53 -1.88 116.25 117.58 1aro h VAL 693 Ca 0.18 -1.47 0.00 0.00 -1.01 0.00 0.00 66.70 64.40 1aro h VAL 693 Cb 0.18 1.38 -0.01 0.00 -2.01 0.00 0.00 31.29 30.83 1aro h VAL 693 CO -0.20 0.49 -0.11 -0.33 -1.01 0.00 0.00 177.57 176.41 1aro h GLU 694 N 0.68 -0.26 -0.42 4.17 5.08 -0.40 -2.10 114.58 121.33 1aro h GLU 694 Ca 0.07 0.02 0.04 0.00 -1.00 0.00 0.00 59.36 58.49 1aro h GLU 694 Cb 0.89 0.06 -0.02 0.00 0.50 0.00 0.00 28.75 30.17 1aro h GLU 694 CO 0.08 -0.17 0.28 0.00 -1.00 0.00 0.00 179.01 178.20 1aro h ALA 695 N 0.58 1.90 -0.01 3.43 0.00 0.68 -1.95 119.26 123.90 1aro h ALA 695 Ca -0.00 -0.02 -0.16 0.00 0.00 0.00 0.00 54.91 54.73 1aro h ALA 695 Cb 0.24 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 1aro h ALA 695 CO -0.02 0.04 -0.75 0.52 0.00 0.00 0.00 179.25 179.05 1aro h MET 696 N 0.40 0.06 -0.08 0.00 2.86 -0.94 -2.70 114.93 114.52 1aro h MET 696 Ca 0.18 -0.06 -0.12 0.00 -2.06 0.00 0.00 59.70 57.64 1aro h MET 696 Cb 0.21 0.01 0.01 0.00 0.06 0.00 0.00 31.60 31.89 1aro h MET 696 CO -0.04 0.78 -0.44 -0.91 1.06 0.00 0.00 176.91 177.36 1aro h ASN 697 N 0.04 0.53 -0.82 1.22 -0.26 -0.92 -0.47 115.58 114.90 1aro h ASN 697 Ca -0.01 -0.65 0.20 0.00 -0.56 0.00 0.00 56.30 55.27 1aro h ASN 697 Cb 1.32 -0.16 -0.13 0.00 -1.06 0.00 0.00 38.32 38.29 1aro h ASN 697 CO 0.10 1.09 0.20 -0.25 -1.06 0.00 0.00 177.43 177.52 1aro h TRP 698 N -0.01 0.30 -0.01 1.19 7.01 -1.31 0.47 115.95 123.59 1aro h TRP 698 Ca -0.03 0.05 -0.22 0.00 2.11 0.00 0.00 58.89 60.79 1aro h TRP 698 Cb 1.09 -0.00 0.02 0.00 -2.10 0.00 0.00 29.16 28.16 1aro h TRP 698 CO 0.12 -0.16 -0.86 -0.07 -2.79 0.00 0.00 178.44 174.68 1aro h LEU 699 N 0.23 0.78 -2.47 0.65 3.38 -1.44 -1.96 115.31 114.49 1aro h LEU 699 Ca 0.49 -0.73 0.01 0.00 0.09 0.00 0.00 57.88 57.74 1aro h LEU 699 Cb 0.92 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 41.43 1aro h LEU 699 CO -0.60 1.41 0.16 0.50 0.09 0.00 0.00 178.44 180.00 1aro h LYS 700 N 0.23 0.00 0.13 1.13 3.64 0.81 0.16 116.57 122.67 1aro h LYS 700 Ca -0.10 0.00 -0.34 0.00 -1.27 0.00 0.00 60.65 58.93 1aro h LYS 700 Cb 1.53 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 33.34 1aro h LYS 700 CO 0.17 0.00 -1.82 0.77 -2.27 0.00 0.00 179.45 176.30 1aro h SER 701 N 0.00 0.43 1.19 4.20 0.02 0.05 -3.26 113.55 116.18 1aro h SER 701 Ca 0.02 -0.78 -0.03 0.00 -0.84 0.00 0.00 61.79 60.16 1aro h SER 701 Cb 0.33 -0.14 -0.00 0.00 0.14 0.00 0.00 62.40 62.73 1aro h SER 701 CO -0.00 1.68 -0.13 0.00 -1.14 0.00 0.00 176.83 177.24 1aro h ALA 702 N 0.25 0.98 -0.64 3.77 0.00 -0.50 -2.81 119.26 120.31 1aro h ALA 702 Ca -0.36 -0.12 -0.08 0.00 0.00 0.00 0.00 54.91 54.35 1aro h ALA 702 Cb 2.05 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 19.79 1aro h ALA 702 CO 0.13 0.17 0.10 0.00 0.00 0.00 0.00 179.25 179.64 1aro h ALA 703 N 1.87 0.97 -0.32 0.00 0.00 -0.81 0.05 119.26 121.01 1aro h ALA 703 Ca -0.00 -0.27 -0.01 0.00 0.00 0.00 0.00 54.91 54.63 1aro h ALA 703 Cb 0.77 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.30 1aro h ALA 703 CO 0.02 0.65 0.15 0.87 0.00 0.00 0.00 179.25 180.93 1aro h LYS 704 N 0.98 0.47 0.12 0.00 1.79 -1.54 -3.02 116.57 115.37 1aro h LYS 704 Ca 0.19 -0.07 -0.01 0.00 -2.18 0.00 0.00 60.65 58.59 1aro h LYS 704 Cb 0.43 -0.08 0.00 0.00 -1.58 0.00 0.00 32.23 31.00 1aro h LYS 704 CO 0.01 0.44 -0.06 -0.07 -1.08 0.00 0.00 179.45 178.70 1aro h LEU 705 N 0.39 -0.14 -0.90 2.94 3.38 -1.57 -2.92 115.31 116.49 1aro h LEU 705 Ca 0.11 0.00 0.34 0.00 0.09 0.00 0.00 57.88 58.43 1aro h LEU 705 Cb 0.13 0.04 -0.16 0.00 0.09 0.00 0.00 40.66 40.75 1aro h LEU 705 CO -0.01 -0.04 0.36 0.18 0.09 0.00 0.00 178.44 179.01 1aro n LEU 706 N -2.74 0.20 -1.25 1.67 4.77 -0.01 -0.31 117.00 119.33 1aro n LEU 706 Ca -0.02 1.50 0.10 0.00 -0.03 0.00 0.00 56.01 57.56 1aro n LEU 706 Cb 0.06 -0.68 0.30 0.00 -2.33 0.00 0.00 43.42 40.77 1aro n LEU 706 CO 0.05 -1.63 0.75 0.00 -1.33 0.00 0.00 177.39 175.23 1aro n ALA 707 N -2.57 2.40 -1.38 -1.18 0.00 -1.14 -4.84 120.51 111.80 1aro n ALA 707 Ca 0.31 -1.31 -0.07 0.00 0.00 0.00 0.00 53.44 52.36 1aro n ALA 707 Cb 1.03 -0.84 0.07 0.00 0.00 0.00 0.00 19.45 19.70 1aro n ALA 707 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1aro n ALA 708 N 1.39 -0.47 -3.00 0.00 0.00 0.57 -4.83 120.51 114.18 1aro n ALA 708 Ca 0.22 -0.58 -0.25 0.00 0.00 0.00 0.00 53.44 52.84 1aro n ALA 708 Cb 0.61 -0.02 -0.16 0.00 0.00 0.00 0.00 19.45 19.88 1aro n ALA 708 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 1aro s GLU 709 N -3.91 1.66 -0.04 0.00 2.12 -1.26 -4.45 118.70 112.83 1aro s GLU 709 Ca 0.25 -0.54 -0.25 0.00 0.36 0.00 0.00 54.97 54.79 1aro s GLU 709 Cb -0.01 -1.44 -0.12 0.00 0.26 0.00 0.00 34.13 32.82 1aro s GLU 709 CO 0.17 0.20 0.69 0.28 -0.54 0.00 0.00 175.26 176.05 1aro n VAL 710 N 3.26 0.00 -0.33 3.70 0.31 -1.17 -4.87 118.33 119.22 1aro n VAL 710 Ca -0.19 0.00 0.06 0.00 -0.01 0.00 0.00 64.34 64.21 1aro n VAL 710 Cb 0.53 -0.04 0.30 0.00 -0.91 0.00 0.00 33.84 33.73 1aro n VAL 710 CO 0.00 0.00 0.00 2.29 -1.32 0.00 0.00 176.83 177.80 1aro n LYS 711 N 1.10 3.64 -2.89 5.55 2.85 -1.26 -4.85 118.16 122.30 1aro n LYS 711 Ca 0.13 -2.39 -0.40 0.00 -1.05 0.00 0.00 58.31 54.60 1aro n LYS 711 Cb 0.04 -1.94 -0.05 0.00 -0.65 0.00 0.00 35.03 32.42 1aro n LYS 711 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 177.40 176.84 1aro s ASP 712 N -0.71 7.42 0.00 -5.58 1.11 -1.26 -4.87 116.67 112.78 1aro s ASP 712 Ca 0.42 1.69 0.10 0.00 0.18 0.00 0.00 52.55 54.94 1aro s ASP 712 Cb 0.30 -2.53 0.11 0.00 1.07 0.00 0.00 42.92 41.87 1aro s ASP 712 CO 0.16 0.11 0.88 0.29 1.18 0.00 0.00 175.17 177.79 1aro n LYS 713 N 2.06 0.78 0.19 8.23 5.02 -1.26 -4.57 118.16 128.61 1aro n LYS 713 Ca -0.03 -1.24 0.09 0.00 -2.02 0.00 0.00 58.31 55.12 1aro n LYS 713 Cb 0.49 -1.20 0.50 0.00 -0.02 0.00 0.00 35.03 34.79 1aro n LYS 713 CO 0.00 0.00 0.00 0.87 -0.52 0.00 0.00 177.40 177.75 1aro h LYS 714 N 1.98 0.00 -5.27 1.97 1.57 -1.93 -3.46 116.57 111.43 1aro h LYS 714 Ca 0.00 0.00 -0.25 0.00 -1.87 0.00 0.00 60.65 58.53 1aro h LYS 714 Cb 0.47 0.00 0.17 0.00 0.08 0.00 0.00 32.23 32.95 1aro h LYS 714 CO 0.00 0.00 -0.76 2.41 -0.57 0.00 0.00 179.45 180.53 1aro n THR 715 N -2.24 -7.52 -3.15 -0.16 -1.04 -1.26 -5.03 114.28 93.87 1aro n THR 715 Ca -0.01 -0.99 0.06 0.00 -2.04 0.00 0.00 64.05 61.07 1aro n THR 715 Cb 0.26 -5.76 -0.01 0.00 -1.82 0.00 0.00 70.33 62.99 1aro n THR 715 CO 0.00 0.00 0.00 -0.83 -0.64 0.00 0.00 175.07 173.60 1aro s GLY 716 N -3.65 -0.34 -1.16 3.41 0.00 -1.26 -4.94 107.32 99.38 1aro s GLY 716 Ca 0.28 2.89 0.00 0.00 0.00 0.00 0.00 44.72 47.89 1aro s GLY 716 CO 0.67 4.07 0.00 -2.21 0.00 0.00 0.00 173.10 175.64 1aro n GLU 717 N 5.32 -1.65 -3.49 2.90 2.13 -1.26 -4.88 120.64 119.73 1aro n GLU 717 Ca -0.02 0.82 -0.28 0.00 0.66 0.00 0.00 57.16 58.35 1aro n GLU 717 Cb 0.56 -5.13 -0.08 0.00 0.27 0.00 0.00 31.44 27.06 1aro n GLU 717 CO 0.00 0.00 0.00 -0.89 -0.41 0.00 0.00 177.13 175.83 1aro n ILE 718 N -2.03 2.35 -4.08 6.31 5.41 -1.26 -5.04 119.36 121.03 1aro n ILE 718 Ca -0.11 -5.19 -0.11 0.00 1.00 0.00 0.00 62.75 58.34 1aro n ILE 718 Cb 0.54 -2.12 -0.11 0.00 -0.71 0.00 0.00 39.64 37.24 1aro n ILE 718 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 176.55 176.33 1aro s LEU 719 N -2.33 2.35 -0.29 1.39 0.20 -1.26 -4.63 118.68 114.10 1aro s LEU 719 Ca 0.37 -0.71 0.03 0.00 0.69 0.00 0.00 54.13 54.51 1aro s LEU 719 Cb 0.12 -0.04 0.17 0.00 -0.43 0.00 0.00 46.19 46.00 1aro s LEU 719 CO -0.03 -0.34 0.47 -0.60 -0.29 0.00 0.00 176.35 175.56 1aro s ARG 720 N -2.41 0.46 0.49 1.98 3.00 -1.26 -4.88 118.95 116.33 1aro s ARG 720 Ca -0.04 0.32 -0.21 0.00 -1.00 0.00 0.00 55.73 54.80 1aro s ARG 720 Cb -0.04 -0.12 -0.09 0.00 0.00 0.00 0.00 34.95 34.70 1aro s ARG 720 CO -0.02 -0.99 0.88 1.17 0.00 0.00 0.00 175.30 176.33 1aro n LYS 721 N 5.38 1.03 -2.01 5.12 4.81 -1.26 -3.07 118.16 128.15 1aro n LYS 721 Ca 0.01 0.38 -0.40 0.00 -0.87 0.00 0.00 58.31 57.44 1aro n LYS 721 Cb 0.51 -1.98 -0.03 0.00 0.02 0.00 0.00 35.03 33.55 1aro n LYS 721 CO 0.00 0.00 0.00 0.50 1.17 0.00 0.00 177.40 179.07 1aro s ARG 722 N -2.19 2.81 0.07 1.64 6.06 -1.26 -4.89 118.95 121.18 1aro s ARG 722 Ca 0.67 0.87 0.01 0.00 -2.50 0.00 0.00 55.73 54.78 1aro s ARG 722 Cb -0.50 -4.34 -0.00 0.00 0.06 0.00 0.00 34.95 30.17 1aro s ARG 722 CO 0.54 -2.50 0.02 0.45 -2.50 0.00 0.00 175.30 171.30 1aro n SER 723 N 12.17 1.26 -4.56 -2.12 2.88 -1.26 -4.79 113.62 117.21 1aro n SER 723 Ca 0.22 -1.35 -0.30 0.00 -1.33 0.00 0.00 58.87 56.10 1aro n SER 723 Cb 0.51 0.14 0.19 0.00 -0.75 0.00 0.00 64.21 64.30 1aro n SER 723 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1aro n ALA 724 N -2.70 -1.84 -3.49 -1.46 0.00 -1.26 -4.89 120.51 104.87 1aro n ALA 724 Ca -0.03 -0.80 -0.20 0.00 0.00 0.00 0.00 53.44 52.42 1aro n ALA 724 Cb 0.10 -2.06 -0.16 0.00 0.00 0.00 0.00 19.45 17.33 1aro n ALA 724 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1aro s VAL 725 N -2.52 0.60 0.18 0.00 1.01 -0.92 -4.99 120.40 113.76 1aro s VAL 725 Ca 0.66 -0.19 0.02 0.00 0.00 0.00 0.00 61.98 62.48 1aro s VAL 725 Cb -0.23 -0.60 -0.05 0.00 0.00 0.00 0.00 36.38 35.51 1aro s VAL 725 CO 0.62 0.23 -0.01 -1.38 0.00 0.00 0.00 175.10 174.56 1aro s HIS 726 N 0.73 1.28 -0.05 5.22 -3.43 -1.26 -1.46 115.29 116.31 1aro s HIS 726 Ca -0.10 -0.98 -0.29 0.00 -0.80 0.00 0.00 55.06 52.88 1aro s HIS 726 Cb -0.13 -0.73 0.09 0.00 -1.43 0.00 0.00 32.58 30.38 1aro s HIS 726 CO 0.01 -0.16 0.79 1.67 -2.00 0.00 0.00 174.74 175.05 1aro s TRP 727 N -3.59 -0.52 -0.16 0.38 -2.14 -0.42 -4.92 118.94 107.56 1aro s TRP 727 Ca 0.24 0.77 -0.01 0.00 2.66 0.00 0.00 56.10 59.76 1aro s TRP 727 Cb 0.06 0.46 -0.01 0.00 -3.10 0.00 0.00 33.47 30.88 1aro s TRP 727 CO 0.05 -0.55 -0.11 0.08 -2.66 0.00 0.00 176.95 173.75 1aro s VAL 728 N -1.72 3.03 0.75 -0.66 1.01 -1.26 -0.33 120.40 121.21 1aro s VAL 728 Ca -0.05 -0.64 -0.12 0.00 0.00 0.00 0.00 61.98 61.17 1aro s VAL 728 Cb -0.00 -2.31 0.05 0.00 0.00 0.00 0.00 36.38 34.11 1aro s VAL 728 CO 0.02 0.49 1.11 0.42 0.00 0.00 0.00 175.10 177.15 1aro s THR 729 N 0.83 3.07 0.43 3.92 -4.23 -0.75 -4.90 115.64 114.00 1aro s THR 729 Ca -0.04 0.41 0.17 0.00 -1.18 0.00 0.00 61.69 61.06 1aro s THR 729 Cb -0.15 -2.87 0.37 0.00 1.34 0.00 0.00 72.50 71.20 1aro s THR 729 CO 0.01 -0.39 1.89 -0.65 -0.54 0.00 0.00 174.62 174.93 1aro h PRO 730 N -0.74 0.37 0.00 3.99 0.11 -1.92 0.44 132.00 134.25 1aro h PRO 730 Ca -0.45 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.64 1aro h PRO 730 Cb 1.25 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.27 1aro h PRO 730 CO 0.51 0.25 0.00 -0.40 -0.21 0.00 0.00 178.00 178.15 1aro n ASP 731 N -4.48 0.00 0.00 -2.05 5.75 -1.26 -4.87 116.55 109.64 1aro n ASP 731 Ca 0.17 -1.12 0.00 0.00 -0.01 0.00 0.00 54.79 53.83 1aro n ASP 731 Cb 0.62 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.71 1aro n ASP 731 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1aro n GLY 732 N 0.54 0.68 3.68 6.12 0.00 0.15 -4.43 105.19 111.93 1aro n GLY 732 Ca 0.13 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.73 1aro n GLY 732 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1aro s PHE 733 N -2.19 2.57 -0.05 1.61 5.36 -1.25 -4.79 117.98 119.24 1aro s PHE 733 Ca 0.00 0.58 -0.25 0.00 -0.96 0.00 0.00 56.93 56.30 1aro s PHE 733 Cb 0.00 -3.78 -0.03 0.00 -0.34 0.00 0.00 43.02 38.87 1aro s PHE 733 CO 0.00 -3.04 0.78 -2.14 -1.46 0.00 0.00 175.22 169.36 1aro s PRO 734 N 2.84 4.46 -0.18 10.12 0.02 -1.26 -1.81 135.00 149.18 1aro s PRO 734 Ca 0.68 1.03 -0.02 0.00 0.02 0.00 0.00 61.00 62.71 1aro s PRO 734 Cb -0.33 -3.46 -0.01 0.00 0.02 0.00 0.00 34.50 30.72 1aro s PRO 734 CO 0.28 0.01 -0.10 0.08 -0.33 0.00 0.00 177.00 176.94 1aro s VAL 735 N 0.93 3.05 -0.34 3.83 1.01 0.55 -4.98 120.40 124.45 1aro s VAL 735 Ca 0.41 -0.62 -0.04 0.00 0.00 0.00 0.00 61.98 61.73 1aro s VAL 735 Cb -0.19 -2.34 0.06 0.00 0.00 0.00 0.00 36.38 33.92 1aro s VAL 735 CO 0.20 0.48 0.09 0.86 0.00 0.00 0.00 175.10 176.73 1aro s TRP 736 N 1.08 3.34 -0.25 5.22 -0.11 -1.26 -1.30 118.94 125.65 1aro s TRP 736 Ca 0.00 -1.84 -0.09 0.00 1.22 0.00 0.00 56.10 55.39 1aro s TRP 736 Cb -0.15 -2.45 -0.04 0.00 -1.50 0.00 0.00 33.47 29.33 1aro s TRP 736 CO -0.02 -0.82 0.12 -1.14 -4.62 0.00 0.00 176.95 170.46 1aro s GLN 737 N 1.28 3.84 -0.47 5.86 0.74 -0.53 -5.01 119.66 125.37 1aro s GLN 737 Ca -0.01 -0.39 0.06 0.00 0.05 0.00 0.00 55.36 55.07 1aro s GLN 737 Cb -0.21 -3.44 0.18 0.00 1.10 0.00 0.00 33.01 30.65 1aro s GLN 737 CO -0.00 -0.09 0.55 -2.00 -0.55 0.00 0.00 175.29 173.19 1aro s GLU 738 N 1.43 0.98 -0.40 1.67 2.12 -1.26 -2.17 118.70 121.06 1aro s GLU 738 Ca 0.06 -1.46 -0.29 0.00 0.36 0.00 0.00 54.97 53.64 1aro s GLU 738 Cb -0.15 -0.63 0.00 0.00 0.26 0.00 0.00 34.13 33.62 1aro s GLU 738 CO 0.06 -1.34 1.50 0.71 -0.54 0.00 0.00 175.26 175.64 1aro s TYR 739 N 0.59 2.26 -0.14 5.30 2.02 -1.26 -5.01 117.35 121.11 1aro s TYR 739 Ca 0.30 0.65 -0.08 0.00 -0.37 0.00 0.00 57.07 57.58 1aro s TYR 739 Cb 0.01 -4.28 -0.04 0.00 -0.40 0.00 0.00 41.96 37.25 1aro s TYR 739 CO -0.11 -2.20 0.14 0.15 -1.57 0.00 0.00 175.55 171.96 1aro s LYS 740 N 5.13 3.59 0.14 -0.62 1.02 -1.26 -1.14 119.74 126.60 1aro s LYS 740 Ca 0.65 -0.15 -0.30 0.00 0.02 0.00 0.00 55.97 56.19 1aro s LYS 740 Cb -0.15 -3.23 -0.07 0.00 -0.52 0.00 0.00 37.83 33.85 1aro s LYS 740 CO 0.33 0.69 1.25 0.15 -0.92 0.00 0.00 175.35 176.84 1aro s LYS 741 N -0.76 4.43 0.61 1.68 1.02 -0.35 -4.85 119.74 121.52 1aro s LYS 741 Ca 0.14 1.90 -0.17 0.00 0.02 0.00 0.00 55.97 57.85 1aro s LYS 741 Cb -0.12 -3.27 -0.02 0.00 -0.52 0.00 0.00 37.83 33.90 1aro s LYS 741 CO 0.03 -0.22 1.14 -1.25 -0.92 0.00 0.00 175.35 174.13 1aro s PRO 742 N 0.41 2.99 -0.16 -1.68 0.04 -1.26 -3.70 135.00 131.63 1aro s PRO 742 Ca 0.57 1.57 -0.01 0.00 0.04 0.00 0.00 61.00 63.17 1aro s PRO 742 Cb -0.33 -1.96 0.04 0.00 0.04 0.00 0.00 34.50 32.30 1aro s PRO 742 CO 0.33 -1.13 -0.03 0.42 0.04 0.00 0.00 177.00 176.63 1aro s ILE 743 N -1.99 0.93 0.19 0.56 1.09 -1.26 -4.98 121.20 115.74 1aro s ILE 743 Ca 0.71 -0.54 -0.07 0.00 -1.10 0.00 0.00 60.65 59.65 1aro s ILE 743 Cb -0.24 -1.16 -0.02 0.00 -1.06 0.00 0.00 42.46 39.98 1aro s ILE 743 CO 0.35 0.08 0.27 0.00 -0.10 0.00 0.00 174.94 175.53 1aro s GLN 744 N 1.71 1.23 -0.21 2.79 -2.07 -1.26 -0.48 119.66 121.36 1aro s GLN 744 Ca 0.01 -1.32 -0.05 0.00 -1.82 0.00 0.00 55.36 52.17 1aro s GLN 744 Cb -0.15 0.36 0.11 0.00 -1.09 0.00 0.00 33.01 32.23 1aro s GLN 744 CO -0.07 -0.45 0.39 0.99 -1.32 0.00 0.00 175.29 174.83 1aro s THR 745 N -4.03 -0.61 0.80 3.63 2.01 -1.26 -5.04 115.64 111.14 1aro s THR 745 Ca 0.24 0.07 -0.16 0.00 0.31 0.00 0.00 61.69 62.15 1aro s THR 745 Cb 0.04 -0.71 -0.09 0.00 0.01 0.00 0.00 72.50 71.75 1aro s THR 745 CO 0.05 -0.01 -0.06 0.54 -0.69 0.00 0.00 174.62 174.45 1aro n ARG 746 N 5.38 0.05 -3.96 4.92 1.74 -1.26 -4.23 116.66 119.29 1aro n ARG 746 Ca -0.06 0.04 -0.27 0.00 -0.77 0.00 0.00 57.85 56.79 1aro n ARG 746 Cb 0.50 -1.39 -0.01 0.00 -1.02 0.00 0.00 32.46 30.53 1aro n ARG 746 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1aro s LEU 747 N 3.39 2.68 -0.06 0.55 1.43 -0.52 -4.87 118.68 121.28 1aro s LEU 747 Ca 0.54 -1.27 -0.02 0.00 -1.03 0.00 0.00 54.13 52.35 1aro s LEU 747 Cb -0.30 -1.17 0.04 0.00 0.03 0.00 0.00 46.19 44.78 1aro s LEU 747 CO 0.69 -1.07 0.10 0.21 0.23 0.00 0.00 176.35 176.51 1aro s ASN 748 N -4.24 0.88 -0.10 2.29 3.84 -1.26 -4.13 114.94 112.22 1aro s ASN 748 Ca 0.32 0.18 -0.03 0.00 0.21 0.00 0.00 52.86 53.54 1aro s ASN 748 Cb -0.02 0.04 0.05 0.00 -0.55 0.00 0.00 41.25 40.77 1aro s ASN 748 CO 0.20 -0.24 0.13 -0.76 -2.79 0.00 0.00 177.10 173.64 1aro s LEU 749 N 2.11 0.05 -0.10 3.21 1.43 0.52 -4.99 118.68 120.91 1aro s LEU 749 Ca 0.03 0.05 0.14 0.00 -1.03 0.00 0.00 54.13 53.32 1aro s LEU 749 Cb -0.12 0.09 0.23 0.00 0.03 0.00 0.00 46.19 46.42 1aro s LEU 749 CO -0.04 -0.27 1.12 0.80 0.23 0.00 0.00 176.35 178.18 1aro n MET 750 N 5.31 0.98 -0.02 1.70 1.56 -1.26 0.79 117.12 126.18 1aro n MET 750 Ca -0.05 -2.23 0.23 0.00 -0.27 0.00 0.00 57.70 55.38 1aro n MET 750 Cb 0.50 -1.26 0.72 0.00 2.15 0.00 0.00 33.22 35.33 1aro n MET 750 CO 0.00 0.00 0.00 0.74 -0.73 0.00 0.00 175.97 175.98 1aro h PHE 751 N 0.05 0.00 0.00 1.12 -1.00 -1.82 -3.31 116.94 111.98 1aro h PHE 751 Ca -0.00 0.00 -0.06 0.00 2.81 0.00 0.00 57.97 60.72 1aro h PHE 751 Cb 1.10 0.00 -0.02 0.00 3.61 0.00 0.00 35.95 40.64 1aro h PHE 751 CO 0.05 0.00 -0.12 -0.11 -1.61 0.00 0.00 178.31 176.52 1aro n LEU 752 N -3.95 5.25 0.00 1.54 7.94 -1.26 -4.80 117.00 121.72 1aro n LEU 752 Ca 0.12 -2.63 0.00 0.00 -1.11 0.00 0.00 56.01 52.39 1aro n LEU 752 Cb 0.77 -1.21 0.00 0.00 0.53 0.00 0.00 43.42 43.51 1aro n LEU 752 CO 0.32 1.22 0.00 0.61 -1.11 0.00 0.00 177.39 178.43 1aro n GLY 753 N 1.83 1.81 0.00 -3.96 0.00 -1.24 -4.65 105.19 98.98 1aro n GLY 753 Ca 0.14 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.15 1aro n GLY 753 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1aro n GLN 754 N 0.00 3.58 -2.54 1.61 10.64 -1.26 -5.02 117.38 124.39 1aro n GLN 754 Ca 0.00 0.00 -0.04 0.00 -1.83 0.00 0.00 57.00 55.13 1aro n GLN 754 Cb 0.00 0.00 0.00 0.00 -0.86 0.00 0.00 30.24 29.38 1aro n GLN 754 CO 0.00 0.00 0.00 1.19 -1.83 0.00 0.00 177.06 176.42 1aro n PHE 755 N 0.00 -0.24 -2.34 2.61 3.72 -1.26 -4.50 117.46 115.44 1aro n PHE 755 Ca 0.00 0.10 -0.42 0.00 -0.05 0.00 0.00 57.45 57.08 1aro n PHE 755 Cb 0.00 -0.81 -0.03 0.00 -0.94 0.00 0.00 39.48 37.70 1aro n PHE 755 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 176.76 177.74 1aro s ARG 756 N -0.87 4.33 -0.06 -1.08 0.52 -1.26 -4.56 118.95 115.96 1aro s ARG 756 Ca 0.04 1.83 0.04 0.00 -0.52 0.00 0.00 55.73 57.11 1aro s ARG 756 Cb -0.00 -3.52 -0.00 0.00 0.52 0.00 0.00 34.95 31.94 1aro s ARG 756 CO 0.08 -0.48 -0.20 -0.51 0.02 0.00 0.00 175.30 174.22 1aro s LEU 757 N 2.09 1.94 -0.44 2.53 1.43 0.24 -3.93 118.68 122.54 1aro s LEU 757 Ca 0.60 -0.43 0.07 0.00 -1.03 0.00 0.00 54.13 53.34 1aro s LEU 757 Cb -0.29 -1.14 0.24 0.00 0.03 0.00 0.00 46.19 45.03 1aro s LEU 757 CO 0.25 0.15 0.53 0.00 0.23 0.00 0.00 176.35 177.51 1aro n GLN 758 N 3.33 0.95 -1.51 1.70 10.64 -1.26 -0.36 117.38 130.88 1aro n GLN 758 Ca -0.19 -3.48 -0.30 0.00 -1.83 0.00 0.00 57.00 51.20 1aro n GLN 758 Cb 0.53 -1.47 0.08 0.00 -0.86 0.00 0.00 30.24 28.52 1aro n GLN 758 CO 0.00 0.00 0.00 -1.25 -1.83 0.00 0.00 177.06 173.98 1aro s PRO 759 N -1.22 2.31 -0.31 2.61 0.04 -1.26 -4.72 135.00 132.45 1aro s PRO 759 Ca 0.35 0.79 -0.13 0.00 0.04 0.00 0.00 61.00 62.06 1aro s PRO 759 Cb 0.14 -1.93 -0.03 0.00 0.04 0.00 0.00 34.50 32.72 1aro s PRO 759 CO -0.11 -1.50 0.24 0.99 0.04 0.00 0.00 177.00 176.66 1aro s THR 760 N -3.08 5.27 -0.57 1.26 2.01 -1.26 -1.44 115.64 117.83 1aro s THR 760 Ca 0.60 0.01 -0.26 0.00 0.31 0.00 0.00 61.69 62.35 1aro s THR 760 Cb -0.15 -3.66 -0.08 0.00 0.01 0.00 0.00 72.50 68.63 1aro s THR 760 CO 0.55 0.09 2.37 -0.63 -0.69 0.00 0.00 174.62 176.30 1aro s ILE 761 N 1.79 3.04 0.00 1.82 1.01 -1.26 -4.79 121.20 122.81 1aro s ILE 761 Ca 0.08 0.01 0.00 0.00 0.00 0.00 0.00 60.65 60.73 1aro s ILE 761 Cb -0.17 -3.10 0.00 0.00 0.01 0.00 0.00 42.46 39.21 1aro s ILE 761 CO 0.11 -0.09 0.00 0.59 0.00 0.00 0.00 174.94 175.55 1aro n ASN 762 N 16.24 0.00 -3.68 3.58 3.02 -1.26 -4.40 115.26 128.76 1aro n ASN 762 Ca 0.38 0.00 -0.02 0.00 -0.03 0.00 0.00 54.58 54.91 1aro n ASN 762 Cb 0.52 0.00 -0.01 0.00 -0.61 0.00 0.00 39.78 39.69 1aro n ASN 762 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 1aro s THR 763 N -3.09 0.00 0.00 3.41 2.01 -1.26 -4.75 115.64 111.96 1aro s THR 763 Ca 0.00 -0.53 0.00 0.00 0.31 0.00 0.00 61.69 61.47 1aro s THR 763 Cb 0.00 -2.10 0.00 0.00 0.01 0.00 0.00 72.50 70.41 1aro s THR 763 CO 0.00 0.00 0.70 0.59 -0.69 0.00 0.00 174.62 175.22 1aro n ASN 764 N -0.56 1.25 -1.00 3.53 3.02 0.37 -4.92 115.26 116.95 1aro n ASN 764 Ca -0.06 -1.49 -0.10 0.00 -0.03 0.00 0.00 54.58 52.90 1aro n ASN 764 Cb 0.61 0.00 -0.01 0.00 -0.61 0.00 0.00 39.78 39.77 1aro n ASN 764 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1aro n LYS 765 N -0.25 -0.74 -2.23 3.52 5.02 -1.26 -4.97 118.16 117.25 1aro n LYS 765 Ca 0.00 0.57 -0.25 0.00 -2.02 0.00 0.00 58.31 56.61 1aro n LYS 765 Cb 0.22 -4.57 0.01 0.00 -0.02 0.00 0.00 35.03 30.68 1aro n LYS 765 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 1aro n ASP 766 N 0.23 4.79 -4.89 4.39 8.00 -1.26 -5.09 116.55 122.72 1aro n ASP 766 Ca -0.11 -3.72 -0.29 0.00 0.71 0.00 0.00 54.79 51.38 1aro n ASP 766 Cb 0.51 -0.39 0.01 0.00 -0.02 0.00 0.00 41.12 41.23 1aro n ASP 766 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 1aro s SER 767 N -3.57 6.08 -0.08 -2.24 0.01 -1.26 -4.88 113.70 107.76 1aro s SER 767 Ca 0.49 1.13 0.05 0.00 1.31 0.00 0.00 55.95 58.94 1aro s SER 767 Cb 0.41 -2.24 -0.01 0.00 0.21 0.00 0.00 66.02 64.39 1aro s SER 767 CO -0.06 -0.85 -0.24 -0.70 0.41 0.00 0.00 173.24 171.80 1aro s GLU 768 N -5.03 2.76 0.65 12.44 2.56 -1.24 -4.91 118.70 125.94 1aro s GLU 768 Ca 0.53 -0.89 -0.12 0.00 0.00 0.00 0.00 54.97 54.49 1aro s GLU 768 Cb -0.11 -2.23 -0.10 0.00 2.00 0.00 0.00 34.13 33.69 1aro s GLU 768 CO 0.50 0.31 -0.51 -0.89 -0.56 0.00 0.00 175.26 174.10 1aro n ILE 769 N 3.16 0.00 -3.39 -3.70 -0.00 -1.26 -1.22 119.36 112.95 1aro n ILE 769 Ca -0.18 -0.34 -0.26 0.00 -0.00 0.00 0.00 62.75 61.96 1aro n ILE 769 Cb 0.52 0.00 -0.08 0.00 -0.00 0.00 0.00 39.64 40.08 1aro n ILE 769 CO 0.00 0.00 0.00 -0.67 -0.00 0.00 0.00 176.55 175.88 1aro n ASP 770 N 2.33 2.87 -0.22 4.38 -0.08 -0.29 -4.21 116.55 121.34 1aro n ASP 770 Ca -0.01 -3.25 0.23 0.00 -1.51 0.00 0.00 54.79 50.25 1aro n ASP 770 Cb 0.38 -0.67 0.35 0.00 2.34 0.00 0.00 41.12 43.52 1aro n ASP 770 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1aro n ALA 771 N 1.06 0.81 0.16 -1.67 0.00 -1.26 -1.21 120.51 118.39 1aro n ALA 771 Ca 0.27 0.28 -0.07 0.00 0.00 0.00 0.00 53.44 53.92 1aro n ALA 771 Cb 0.43 -0.48 -0.03 0.00 0.00 0.00 0.00 19.45 19.37 1aro n ALA 771 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1aro h HIS 772 N 0.00 -0.41 -0.45 0.00 -0.00 -1.96 -2.95 115.15 109.38 1aro h HIS 772 Ca 0.40 -0.01 0.07 0.00 -0.00 0.00 0.00 60.37 60.83 1aro h HIS 772 Cb 2.10 0.14 -0.06 0.00 -0.00 0.00 0.00 27.41 29.58 1aro h HIS 772 CO 0.00 -0.26 0.11 0.87 -0.00 0.00 0.00 177.93 178.65 1aro h LYS 773 N -0.74 0.25 -0.80 5.26 1.57 -1.55 -1.09 116.57 119.47 1aro h LYS 773 Ca -0.05 -0.01 0.19 0.00 -1.87 0.00 0.00 60.65 58.91 1aro h LYS 773 Cb 0.34 -0.06 -0.13 0.00 0.08 0.00 0.00 32.23 32.46 1aro h LYS 773 CO 0.07 0.16 0.11 0.37 -0.57 0.00 0.00 179.45 179.60 1aro h GLN 774 N 0.25 0.16 0.10 3.15 5.75 -1.58 0.55 115.11 123.50 1aro h GLN 774 Ca 0.22 -0.01 -0.24 0.00 -0.15 0.00 0.00 58.65 58.47 1aro h GLN 774 Cb 0.26 -0.04 0.02 0.00 1.07 0.00 0.00 27.48 28.80 1aro h GLN 774 CO -0.27 0.11 -1.00 1.49 -2.65 0.00 0.00 178.83 176.50 1aro h GLU 775 N 0.16 0.51 -0.00 1.69 4.81 -1.20 -3.29 114.58 117.27 1aro h GLU 775 Ca 0.46 -0.68 0.00 0.00 -0.13 0.00 0.00 59.36 59.02 1aro h GLU 775 Cb 0.86 0.22 0.00 0.00 0.63 0.00 0.00 28.75 30.46 1aro h GLU 775 CO -0.64 1.29 -0.00 -1.13 -0.73 0.00 0.00 179.01 177.79 1aro n SER 776 N -3.97 0.12 -0.46 1.04 3.41 -0.48 -3.30 113.62 109.99 1aro n SER 776 Ca -0.13 -0.89 0.07 0.00 -0.26 0.00 0.00 58.87 57.66 1aro n SER 776 Cb 0.88 -0.04 0.03 0.00 -0.26 0.00 0.00 64.21 64.81 1aro n SER 776 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1aro n GLY 777 N 1.06 -0.00 0.09 5.00 0.00 0.19 -4.68 105.19 106.86 1aro n GLY 777 Ca 0.22 -0.42 -0.14 0.00 0.00 0.00 0.00 46.02 45.67 1aro n GLY 777 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1aro h ILE 778 N 2.25 1.51 0.59 -0.61 2.04 -1.62 -2.88 117.51 118.80 1aro h ILE 778 Ca 0.00 -1.74 -0.02 0.00 1.00 0.00 0.00 64.86 64.10 1aro h ILE 778 Cb 0.56 2.58 -0.01 0.00 -0.74 0.00 0.00 36.82 39.21 1aro h ILE 778 CO 0.00 0.47 -0.37 0.00 0.00 0.00 0.00 178.15 178.26 1aro h ALA 779 N 0.34 -0.93 -0.31 1.87 0.00 -1.83 -1.95 119.26 116.45 1aro h ALA 779 Ca -0.01 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.71 1aro h ALA 779 Cb 0.86 0.45 -0.02 0.00 0.00 0.00 0.00 17.79 19.09 1aro h ALA 779 CO 0.03 -1.04 0.20 -1.00 0.00 0.00 0.00 179.25 177.45 1aro h PRO 780 N -0.91 0.42 0.00 0.00 0.13 -1.85 -1.74 132.00 128.05 1aro h PRO 780 Ca -0.07 -0.03 -0.02 0.00 -0.87 0.00 0.00 66.00 65.01 1aro h PRO 780 Cb 0.74 -0.09 -0.00 0.00 0.13 0.00 0.00 31.00 31.78 1aro h PRO 780 CO 0.07 0.30 -0.09 -0.91 -0.23 0.00 0.00 178.00 177.14 1aro h ASN 781 N 0.41 0.00 -0.09 1.44 -0.26 -1.53 -0.83 115.58 114.73 1aro h ASN 781 Ca 0.11 0.00 -0.07 0.00 -0.56 0.00 0.00 56.30 55.79 1aro h ASN 781 Cb -0.02 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.24 1aro h ASN 781 CO -0.02 0.09 -0.20 0.15 -1.06 0.00 0.00 177.43 176.38 1aro h PHE 782 N 0.00 0.38 -0.49 1.19 3.57 -0.80 -1.65 116.94 119.14 1aro h PHE 782 Ca -0.00 -0.14 -0.03 0.00 3.53 0.00 0.00 57.97 61.33 1aro h PHE 782 Cb 0.21 -0.07 -0.02 0.00 2.79 0.00 0.00 35.95 38.86 1aro h PHE 782 CO 0.00 0.81 0.20 0.28 -2.23 0.00 0.00 178.31 177.38 1aro h VAL 783 N -0.17 1.21 -0.82 1.41 2.07 -0.46 -0.69 116.25 118.79 1aro h VAL 783 Ca -0.00 -0.63 0.03 0.00 0.82 0.00 0.00 66.70 66.92 1aro h VAL 783 Cb 0.80 0.72 -0.05 0.00 -1.52 0.00 0.00 31.29 31.24 1aro h VAL 783 CO 0.04 0.24 0.53 0.45 0.02 0.00 0.00 177.57 178.85 1aro h HIS 784 N 0.64 0.99 -0.95 1.57 3.86 -1.23 -0.58 115.15 119.46 1aro h HIS 784 Ca 0.16 0.03 0.17 0.00 -1.16 0.00 0.00 60.37 59.57 1aro h HIS 784 Cb 0.18 -0.33 -0.10 0.00 1.06 0.00 0.00 27.41 28.22 1aro h HIS 784 CO 0.00 0.56 0.54 1.03 0.86 0.00 0.00 177.93 180.93 1aro h SER 785 N 1.02 0.69 0.80 2.45 0.87 -0.21 -2.11 113.55 117.05 1aro h SER 785 Ca 0.33 0.10 -0.04 0.00 -1.23 0.00 0.00 61.79 60.95 1aro h SER 785 Cb 0.02 -0.02 0.01 0.00 -0.44 0.00 0.00 62.40 61.96 1aro h SER 785 CO -0.12 0.26 -0.39 1.56 -0.53 0.00 0.00 176.83 177.61 1aro h GLN 786 N 0.71 -1.04 -0.91 2.24 4.20 0.28 -2.71 115.11 117.88 1aro h GLN 786 Ca 0.54 0.07 0.29 0.00 0.06 0.00 0.00 58.65 59.60 1aro h GLN 786 Cb 0.80 0.24 -0.17 0.00 0.30 0.00 0.00 27.48 28.65 1aro h GLN 786 CO -0.38 -0.69 0.14 -0.25 -0.67 0.00 0.00 178.83 176.98 1aro n ASP 787 N -5.32 0.01 0.22 1.46 9.92 -0.84 0.35 116.55 122.35 1aro n ASP 787 Ca -0.13 1.54 -0.15 0.00 -0.53 0.00 0.00 54.79 55.52 1aro n ASP 787 Cb 0.43 -0.61 -0.07 0.00 -0.64 0.00 0.00 41.12 40.22 1aro n ASP 787 CO 0.00 0.00 0.00 1.23 0.13 0.00 0.00 177.20 178.56 1aro h GLY 788 N 0.00 -0.65 2.00 0.44 0.00 -1.29 -2.07 103.07 101.50 1aro h GLY 788 Ca 0.61 0.30 0.00 0.00 0.00 0.00 0.00 47.33 48.24 1aro h GLY 788 CO -0.82 -0.25 0.00 -1.26 0.00 0.00 0.00 176.54 174.21 1aro n SER 789 N -5.39 0.08 -0.07 0.19 2.88 0.15 -1.94 113.62 109.52 1aro n SER 789 Ca -0.10 0.52 -0.09 0.00 -1.33 0.00 0.00 58.87 57.87 1aro n SER 789 Cb 0.29 -0.54 -0.05 0.00 -0.75 0.00 0.00 64.21 63.16 1aro n SER 789 CO 0.00 0.00 0.00 -0.74 -1.23 0.00 0.00 175.04 173.07 1aro h HIS 790 N 0.00 0.00 0.00 0.66 6.17 -0.58 -3.24 115.15 118.15 1aro h HIS 790 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 60.37 61.08 1aro h HIS 790 Cb 0.23 0.00 0.00 0.00 2.52 0.00 0.00 27.41 30.16 1aro h HIS 790 CO 0.00 0.51 0.00 -0.11 0.71 0.00 0.00 177.93 179.04 1aro n LEU 791 N -4.61 0.00 -0.35 0.26 7.94 -0.82 -0.65 117.00 118.76 1aro n LEU 791 Ca -0.12 1.00 0.01 0.00 -1.11 0.00 0.00 56.01 55.79 1aro n LEU 791 Cb 0.33 -0.50 0.07 0.00 0.53 0.00 0.00 43.42 43.85 1aro n LEU 791 CO 0.14 -0.50 0.57 0.54 -1.11 0.00 0.00 177.39 177.03 1aro n ARG 792 N -2.85 -0.18 -0.34 1.96 1.74 -0.82 -0.15 116.66 116.02 1aro n ARG 792 Ca 0.00 1.45 -0.01 0.00 -0.77 0.00 0.00 57.85 58.52 1aro n ARG 792 Cb 0.00 -2.16 0.12 0.00 -1.02 0.00 0.00 32.46 29.41 1aro n ARG 792 CO 0.00 0.00 0.00 0.87 -1.52 0.00 0.00 177.63 176.98 1aro h LYS 793 N 0.00 1.14 -0.41 5.56 1.57 -1.05 -1.81 116.57 121.57 1aro h LYS 793 Ca 0.36 -0.07 -0.07 0.00 -1.87 0.00 0.00 60.65 59.00 1aro h LYS 793 Cb 0.60 -0.26 -0.01 0.00 0.08 0.00 0.00 32.23 32.64 1aro h LYS 793 CO -0.94 0.75 -0.03 1.15 -0.57 0.00 0.00 179.45 179.81 1aro h THR 794 N 1.17 1.27 -0.85 -0.16 2.02 0.18 -1.36 112.91 115.18 1aro h THR 794 Ca 0.37 -1.08 -0.03 0.00 0.77 0.00 0.00 66.41 66.44 1aro h THR 794 Cb 0.00 1.14 -0.04 0.00 -1.74 0.00 0.00 68.15 67.52 1aro h THR 794 CO -0.12 0.36 0.39 0.58 0.37 0.00 0.00 175.52 177.11 1aro h VAL 795 N 0.57 1.26 -0.26 3.16 2.07 -0.69 0.16 116.25 122.52 1aro h VAL 795 Ca 0.11 -0.75 -0.06 0.00 0.82 0.00 0.00 66.70 66.82 1aro h VAL 795 Cb 0.53 0.19 -0.01 0.00 -1.52 0.00 0.00 31.29 30.48 1aro h VAL 795 CO 0.03 0.32 -0.08 0.58 0.02 0.00 0.00 177.57 178.44 1aro h VAL 796 N 1.21 1.29 0.00 2.57 2.07 -1.18 -2.97 116.25 119.24 1aro h VAL 796 Ca 0.29 -1.11 -0.04 0.00 0.82 0.00 0.00 66.70 66.66 1aro h VAL 796 Cb 0.14 1.47 -0.01 0.00 -1.52 0.00 0.00 31.29 31.38 1aro h VAL 796 CO -0.03 0.35 -0.18 -0.25 0.02 0.00 0.00 177.57 177.47 1aro h TRP 797 N 0.26 0.00 -0.19 1.57 2.91 -0.85 -2.00 115.95 117.65 1aro h TRP 797 Ca 0.06 0.00 0.00 0.00 1.13 0.00 0.00 58.89 60.08 1aro h TRP 797 Cb 0.56 0.00 0.00 0.00 -0.51 0.00 0.00 29.16 29.21 1aro h TRP 797 CO 0.05 0.18 0.00 0.00 -1.03 0.00 0.00 178.44 177.64 1aro n ALA 798 N -2.35 2.51 0.15 2.65 0.00 0.53 -2.18 120.51 121.81 1aro n ALA 798 Ca -0.02 -0.58 0.04 0.00 0.00 0.00 0.00 53.44 52.88 1aro n ALA 798 Cb 0.28 -1.06 -0.06 0.00 0.00 0.00 0.00 19.45 18.61 1aro n ALA 798 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.50 179.08 1aro n HIS 799 N 0.47 0.00 0.00 0.00 -0.00 -0.79 -0.49 115.22 114.42 1aro n HIS 799 Ca 0.16 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.88 1aro n HIS 799 Cb 0.37 -0.12 0.00 0.00 -0.00 0.00 0.00 29.99 30.23 1aro n HIS 799 CO 0.00 0.00 0.00 0.39 -0.00 0.00 0.00 176.34 176.73 1aro n GLU 800 N -1.57 0.00 -0.32 1.57 1.02 -1.01 -3.44 120.64 116.90 1aro n GLU 800 Ca -0.00 0.00 0.23 0.00 -0.02 0.00 0.00 57.16 57.36 1aro n GLU 800 Cb 0.19 -0.06 0.43 0.00 -0.02 0.00 0.00 31.44 31.97 1aro n GLU 800 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1aro n LYS 801 N -1.58 -0.07 -0.17 3.49 4.76 -0.93 -1.75 118.16 121.92 1aro n LYS 801 Ca 0.00 1.36 0.06 0.00 -2.87 0.00 0.00 58.31 56.86 1aro n LYS 801 Cb 0.00 -2.31 0.08 0.00 -1.84 0.00 0.00 35.03 30.96 1aro n LYS 801 CO 0.00 0.00 0.00 0.66 -1.37 0.00 0.00 177.40 176.69 1aro n TYR 802 N -5.27 0.00 -3.44 2.13 4.02 -1.24 -5.05 117.16 108.30 1aro n TYR 802 Ca 0.30 -0.62 -0.20 0.00 -0.01 0.00 0.00 57.90 57.36 1aro n TYR 802 Cb 0.99 -0.10 0.00 0.00 -0.02 0.00 0.00 39.34 40.21 1aro n TYR 802 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1aro n GLY 803 N -0.87 -0.90 3.78 2.72 0.00 -0.72 -4.85 105.19 104.35 1aro n GLY 803 Ca 0.09 0.49 -0.31 0.00 0.00 0.00 0.00 46.02 46.30 1aro n GLY 803 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1aro s ILE 804 N -2.61 4.57 -0.04 -0.61 1.01 0.36 -4.94 121.20 118.94 1aro s ILE 804 Ca 0.02 -0.75 0.01 0.00 0.00 0.00 0.00 60.65 59.94 1aro s ILE 804 Cb -0.00 -3.20 -0.03 0.00 0.01 0.00 0.00 42.46 39.24 1aro s ILE 804 CO 0.68 0.13 -0.01 -0.62 0.00 0.00 0.00 174.94 175.11 1aro n GLU 805 N 0.47 1.59 -3.83 2.79 1.02 -1.26 -4.43 120.64 116.99 1aro n GLU 805 Ca -0.09 0.01 -0.35 0.00 -0.02 0.00 0.00 57.16 56.71 1aro n GLU 805 Cb 0.52 -1.08 -0.10 0.00 -0.02 0.00 0.00 31.44 30.76 1aro n GLU 805 CO 0.00 0.00 0.00 -1.12 1.18 0.00 0.00 177.13 177.19 1aro s SER 806 N -3.94 5.83 -0.07 1.62 0.01 -1.26 -4.39 113.70 111.49 1aro s SER 806 Ca -0.04 0.09 0.03 0.00 1.31 0.00 0.00 55.95 57.35 1aro s SER 806 Cb 0.01 -2.02 0.00 0.00 0.21 0.00 0.00 66.02 64.22 1aro s SER 806 CO 0.11 0.12 -0.18 -0.36 0.41 0.00 0.00 173.24 173.34 1aro s PHE 807 N 0.70 1.92 -0.16 2.43 0.40 -1.26 -4.62 117.98 117.38 1aro s PHE 807 Ca 0.05 -0.70 -0.03 0.00 -0.60 0.00 0.00 56.93 55.65 1aro s PHE 807 Cb -0.13 -1.32 -0.02 0.00 0.51 0.00 0.00 43.02 42.06 1aro s PHE 807 CO 0.01 -0.29 -0.05 0.00 0.70 0.00 0.00 175.22 175.59 1aro s ALA 808 N 0.38 2.90 -0.27 5.36 0.00 -0.49 -4.88 121.76 124.76 1aro s ALA 808 Ca -0.13 -0.89 0.01 0.00 0.00 0.00 0.00 51.96 50.94 1aro s ALA 808 Cb -0.15 -1.52 0.08 0.00 0.00 0.00 0.00 23.12 21.52 1aro s ALA 808 CO 0.05 0.11 0.00 -0.51 0.00 0.00 0.00 175.76 175.41 1aro s LEU 809 N 0.56 2.80 -0.22 0.00 1.43 -1.26 -1.59 118.68 120.40 1aro s LEU 809 Ca -0.04 -1.43 0.02 0.00 -1.03 0.00 0.00 54.13 51.65 1aro s LEU 809 Cb -0.15 -1.15 0.05 0.00 0.03 0.00 0.00 46.19 44.97 1aro s LEU 809 CO 0.03 -0.31 -0.11 0.27 0.23 0.00 0.00 176.35 176.46 1aro s ILE 810 N 1.38 1.88 -1.27 -0.59 -4.36 0.15 -4.73 121.20 113.66 1aro s ILE 810 Ca 0.01 -1.25 -0.25 0.00 -0.26 0.00 0.00 60.65 58.90 1aro s ILE 810 Cb -0.18 -1.95 0.03 0.00 1.25 0.00 0.00 42.46 41.61 1aro s ILE 810 CO -0.11 0.13 0.47 1.57 0.24 0.00 0.00 174.94 177.24 1aro n HIS 811 N 4.58 -1.29 -3.60 1.37 -0.00 -1.26 -1.51 115.22 113.52 1aro n HIS 811 Ca -0.15 0.20 -0.21 0.00 -0.00 0.00 0.00 57.72 57.56 1aro n HIS 811 Cb 0.45 -2.68 0.06 0.00 -0.00 0.00 0.00 29.99 27.83 1aro n HIS 811 CO 0.00 0.00 0.00 -3.47 -0.00 0.00 0.00 176.34 172.87 1aro n ASP 812 N -2.24 -2.51 -3.79 0.26 -0.08 -1.26 -5.00 116.55 101.92 1aro n ASP 812 Ca -0.17 -0.70 -0.13 0.00 -1.51 0.00 0.00 54.79 52.29 1aro n ASP 812 Cb 0.58 -4.60 -0.12 0.00 2.34 0.00 0.00 41.12 39.32 1aro n ASP 812 CO 0.00 0.00 0.00 -0.94 0.12 0.00 0.00 177.20 176.38 1aro s SER 813 N -4.13 -0.20 0.03 1.67 1.04 -0.57 -4.90 113.70 106.64 1aro s SER 813 Ca 0.14 0.39 -0.00 0.00 0.48 0.00 0.00 55.95 56.96 1aro s SER 813 Cb -0.06 0.38 -0.03 0.00 0.10 0.00 0.00 66.02 66.41 1aro s SER 813 CO 0.77 -0.09 -0.03 0.72 0.98 0.00 0.00 173.24 175.59 1aro s PHE 814 N 0.33 0.36 0.26 5.02 -0.71 -1.25 0.32 117.98 122.31 1aro s PHE 814 Ca -0.02 -0.66 -0.14 0.00 -1.04 0.00 0.00 56.93 55.07 1aro s PHE 814 Cb -0.03 -0.26 0.00 0.00 -1.21 0.00 0.00 43.02 41.52 1aro s PHE 814 CO -0.01 -0.23 0.54 0.20 -1.34 0.00 0.00 175.22 174.38 1aro s GLY 815 N -1.84 0.45 0.00 1.99 0.00 -0.62 -4.16 107.32 103.14 1aro s GLY 815 Ca -0.10 -0.79 0.00 0.00 0.00 0.00 0.00 44.72 43.83 1aro s GLY 815 CO -0.03 -0.52 0.00 2.41 0.00 0.00 0.00 173.10 174.96 1aro n THR 816 N -0.41 0.00 -2.62 0.90 -1.04 -1.24 -1.39 114.28 108.48 1aro n THR 816 Ca -0.02 0.00 -0.35 0.00 -2.04 0.00 0.00 64.05 61.63 1aro n THR 816 Cb 0.61 0.00 -0.05 0.00 -1.82 0.00 0.00 70.33 69.08 1aro n THR 816 CO 0.00 0.00 0.00 0.27 -0.64 0.00 0.00 175.07 174.70 1aro s ILE 817 N -0.40 3.90 0.30 12.58 -4.36 -1.26 -1.72 121.20 130.24 1aro s ILE 817 Ca 0.00 1.36 0.05 0.00 -0.26 0.00 0.00 60.65 61.80 1aro s ILE 817 Cb 0.00 -3.65 0.30 0.00 1.25 0.00 0.00 42.46 40.36 1aro s ILE 817 CO 0.00 -0.09 1.67 -0.65 0.24 0.00 0.00 174.94 176.11 1aro h PRO 818 N 2.25 0.31 -0.89 0.37 0.11 -1.83 0.13 132.00 132.46 1aro h PRO 818 Ca -0.48 -0.02 0.11 0.00 0.11 0.00 0.00 66.00 65.72 1aro h PRO 818 Cb 1.21 -0.07 -0.13 0.00 0.11 0.00 0.00 31.00 32.12 1aro h PRO 818 CO 0.62 0.21 -0.48 0.00 -0.21 0.00 0.00 178.00 178.13 1aro h ALA 819 N 1.76 -0.24 0.00 -0.75 0.00 -1.81 -0.90 119.26 117.32 1aro h ALA 819 Ca 0.59 0.17 0.00 0.00 0.00 0.00 0.00 54.91 55.67 1aro h ALA 819 Cb 1.18 1.14 0.00 0.00 0.00 0.00 0.00 17.79 20.11 1aro h ALA 819 CO -0.58 -0.81 -0.16 -0.44 0.00 0.00 0.00 179.25 177.26 1aro h ASP 820 N -0.06 0.00 -0.81 0.00 3.32 -1.19 -3.40 116.42 114.29 1aro h ASP 820 Ca 0.23 -0.04 0.13 0.00 0.02 0.00 0.00 57.03 57.37 1aro h ASP 820 Cb 0.52 0.00 -0.14 0.00 0.22 0.00 0.00 39.33 39.94 1aro h ASP 820 CO -0.89 0.02 -0.29 0.00 -1.72 0.00 0.00 179.24 176.35 1aro n ALA 821 N -1.85 -0.04 -0.27 3.45 0.00 -0.28 -0.09 120.51 121.44 1aro n ALA 821 Ca 0.05 0.82 0.10 0.00 0.00 0.00 0.00 53.44 54.41 1aro n ALA 821 Cb 0.45 -0.40 0.35 0.00 0.00 0.00 0.00 19.45 19.86 1aro n ALA 821 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1aro h ALA 822 N 1.22 1.77 -0.02 0.00 0.00 -1.77 -2.51 119.26 117.94 1aro h ALA 822 Ca 0.30 0.01 -0.16 0.00 0.00 0.00 0.00 54.91 55.06 1aro h ALA 822 Cb 0.51 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.13 1aro h ALA 822 CO -0.81 0.01 -0.72 -0.91 0.00 0.00 0.00 179.25 176.83 1aro h ASN 823 N 0.75 0.16 -0.16 0.00 4.21 -0.81 -3.19 115.58 116.54 1aro h ASN 823 Ca 0.43 -0.11 0.04 0.00 1.21 0.00 0.00 56.30 57.88 1aro h ASN 823 Cb 0.61 -0.05 -0.07 0.00 -1.12 0.00 0.00 38.32 37.69 1aro h ASN 823 CO -0.19 0.82 -0.43 -0.07 -1.29 0.00 0.00 177.43 176.27 1aro h LEU 824 N 0.09 -1.37 -0.76 1.61 3.38 -1.30 0.33 115.31 117.29 1aro h LEU 824 Ca -0.02 0.18 0.11 0.00 0.09 0.00 0.00 57.88 58.25 1aro h LEU 824 Cb 1.27 0.56 -0.13 0.00 0.09 0.00 0.00 40.66 42.45 1aro h LEU 824 CO 0.10 -0.43 -0.42 -0.26 0.09 0.00 0.00 178.44 177.52 1aro h PHE 825 N -0.48 -1.24 -0.70 1.13 -1.00 -1.62 1.69 116.94 114.72 1aro h PHE 825 Ca 0.08 0.09 0.07 0.00 2.81 0.00 0.00 57.97 61.02 1aro h PHE 825 Cb 0.63 0.65 -0.04 0.00 3.61 0.00 0.00 35.95 40.79 1aro h PHE 825 CO -0.51 -0.40 0.46 0.87 -1.61 0.00 0.00 178.31 177.11 1aro h LYS 826 N -0.12 0.68 -0.06 1.51 1.57 -1.21 0.81 116.57 119.75 1aro h LYS 826 Ca 0.24 -0.04 -0.00 0.00 -1.87 0.00 0.00 60.65 58.97 1aro h LYS 826 Cb 0.55 -0.15 -0.00 0.00 0.08 0.00 0.00 32.23 32.71 1aro h LYS 826 CO -0.81 0.45 0.02 0.00 -0.57 0.00 0.00 179.45 178.54 1aro h ALA 827 N 1.62 0.08 0.25 3.86 0.00 0.61 -0.85 119.26 124.83 1aro h ALA 827 Ca 0.31 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 55.10 1aro h ALA 827 Cb 0.30 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 1aro h ALA 827 CO -0.10 -0.31 -0.23 0.28 0.00 0.00 0.00 179.25 178.89 1aro h VAL 828 N -0.10 0.00 -0.90 0.00 2.07 0.12 -1.95 116.25 115.49 1aro h VAL 828 Ca 0.02 0.00 0.25 0.00 0.82 0.00 0.00 66.70 67.79 1aro h VAL 828 Cb 0.21 0.00 -0.15 0.00 -1.52 0.00 0.00 31.29 29.83 1aro h VAL 828 CO -0.00 0.00 0.17 0.03 0.02 0.00 0.00 177.57 177.79 1aro h ARG 829 N -0.47 0.12 0.00 1.57 3.08 -0.88 0.11 114.38 117.91 1aro h ARG 829 Ca -0.03 -0.01 -0.07 0.00 0.07 0.00 0.00 59.98 59.94 1aro h ARG 829 Cb 0.40 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.41 1aro h ARG 829 CO -0.01 0.08 -0.35 0.93 -1.07 0.00 0.00 179.97 179.55 1aro h GLU 830 N 0.13 0.00 -0.04 0.04 5.08 -1.02 -2.90 114.58 115.86 1aro h GLU 830 Ca 0.57 0.00 -0.11 0.00 -1.00 0.00 0.00 59.36 58.82 1aro h GLU 830 Cb 1.18 0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.44 1aro h GLU 830 CO -0.74 0.35 -0.41 1.15 -1.00 0.00 0.00 179.01 178.36 1aro h THR 831 N 0.00 1.44 -0.01 1.13 2.02 -0.18 -0.63 112.91 116.67 1aro h THR 831 Ca -0.00 -1.87 0.02 0.00 0.77 0.00 0.00 66.41 65.32 1aro h THR 831 Cb 0.92 2.46 -0.04 0.00 -1.74 0.00 0.00 68.15 69.75 1aro h THR 831 CO 0.05 0.54 -0.42 0.24 0.37 0.00 0.00 175.52 176.29 1aro h MET 832 N -0.16 -0.50 -0.55 6.66 2.86 -1.44 -0.20 114.93 121.60 1aro h MET 832 Ca -0.04 0.03 0.10 0.00 -2.06 0.00 0.00 59.70 57.73 1aro h MET 832 Cb 1.09 0.11 -0.11 0.00 0.06 0.00 0.00 31.60 32.76 1aro h MET 832 CO 0.08 -0.33 -0.36 0.28 1.06 0.00 0.00 176.91 177.64 1aro h VAL 833 N -0.52 0.16 -0.49 -2.22 2.07 -1.54 0.64 116.25 114.35 1aro h VAL 833 Ca 0.01 0.00 0.12 0.00 0.82 0.00 0.00 66.70 67.65 1aro h VAL 833 Cb 0.56 0.16 -0.02 0.00 -1.52 0.00 0.00 31.29 30.46 1aro h VAL 833 CO -0.29 0.00 0.34 -0.78 0.02 0.00 0.00 177.57 176.86 1aro h ASP 834 N -0.20 0.11 0.47 0.57 3.58 -0.42 -2.28 116.42 118.25 1aro h ASP 834 Ca 0.21 0.00 -0.02 0.00 0.42 0.00 0.00 57.03 57.64 1aro h ASP 834 Cb 0.55 -0.02 0.00 0.00 1.72 0.00 0.00 39.33 41.59 1aro h ASP 834 CO -0.66 0.06 -0.22 0.74 -2.88 0.00 0.00 179.24 176.28 1aro h THR 835 N 0.12 0.09 0.00 2.25 2.02 0.93 -2.85 112.91 115.47 1aro h THR 835 Ca 0.23 -0.55 0.00 0.00 0.77 0.00 0.00 66.41 66.86 1aro h THR 835 Cb 0.76 0.15 0.00 0.00 -1.74 0.00 0.00 68.15 67.31 1aro h THR 835 CO -0.03 0.02 0.00 -1.22 0.37 0.00 0.00 175.52 174.66 1aro n TYR 836 N -5.20 0.00 -0.12 3.16 4.01 -1.02 -3.09 117.16 114.90 1aro n TYR 836 Ca -0.08 0.00 -0.21 0.00 -0.16 0.00 0.00 57.90 57.45 1aro n TYR 836 Cb 0.26 -0.07 -0.12 0.00 -0.31 0.00 0.00 39.34 39.10 1aro n TYR 836 CO 0.00 0.00 0.00 -1.91 -0.46 0.00 0.00 176.86 174.49 1aro n GLU 837 N -1.07 0.64 0.00 -0.72 2.13 -0.87 -4.34 120.64 116.41 1aro n GLU 837 Ca 0.20 0.19 0.04 0.00 0.66 0.00 0.00 57.16 58.24 1aro n GLU 837 Cb 0.13 -1.53 0.20 0.00 0.27 0.00 0.00 31.44 30.51 1aro n GLU 837 CO 0.00 0.00 0.00 0.43 -0.41 0.00 0.00 177.13 177.15 1aro n SER 838 N -3.48 0.00 0.00 4.31 7.64 -1.08 -4.84 113.62 116.17 1aro n SER 838 Ca -0.47 0.24 0.00 0.00 1.01 0.00 0.00 58.87 59.66 1aro n SER 838 Cb 0.97 -0.34 0.00 0.00 -1.01 0.00 0.00 64.21 63.83 1aro n SER 838 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 1aro n SER 839 N -1.34 0.00 -4.25 6.43 3.41 -1.24 -5.05 113.62 111.58 1aro n SER 839 Ca 0.03 0.00 -0.43 0.00 -0.26 0.00 0.00 58.87 58.21 1aro n SER 839 Cb 0.07 0.00 -0.05 0.00 -0.26 0.00 0.00 64.21 63.97 1aro n SER 839 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1aro s ASP 840 N 0.00 6.19 0.33 4.04 -1.08 -1.26 -4.57 116.67 120.32 1aro s ASP 840 Ca 0.00 -2.67 0.01 0.00 -0.52 0.00 0.00 52.55 49.37 1aro s ASP 840 Cb 0.00 -2.08 0.58 0.00 -1.46 0.00 0.00 42.92 39.95 1aro s ASP 840 CO 0.00 -0.52 1.97 -0.37 0.52 0.00 0.00 175.17 176.76 1aro h VAL 841 N 5.05 1.13 -0.09 1.11 -1.51 -1.90 -1.02 116.25 119.01 1aro h VAL 841 Ca 0.03 -0.33 -0.10 0.00 -1.23 0.00 0.00 66.70 65.08 1aro h VAL 841 Cb 1.02 0.09 -0.01 0.00 -2.13 0.00 0.00 31.29 30.26 1aro h VAL 841 CO 0.76 0.17 -0.40 0.25 -1.23 0.00 0.00 177.57 177.12 1aro h LEU 842 N 0.95 0.21 -0.51 4.19 5.85 -1.93 0.16 115.31 124.24 1aro h LEU 842 Ca 0.30 -0.08 -0.07 0.00 0.84 0.00 0.00 57.88 58.87 1aro h LEU 842 Cb 0.03 -0.06 -0.02 0.00 0.37 0.00 0.00 40.66 40.98 1aro h LEU 842 CO -0.09 0.59 0.06 0.00 -0.34 0.00 0.00 178.44 178.67 1aro h ALA 843 N 1.42 0.68 -0.14 1.25 0.00 -1.73 -0.37 119.26 120.37 1aro h ALA 843 Ca 0.02 -0.25 -0.00 0.00 0.00 0.00 0.00 54.91 54.67 1aro h ALA 843 Cb 0.79 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.38 1aro h ALA 843 CO 0.06 0.43 0.08 0.22 0.00 0.00 0.00 179.25 180.05 1aro h ASP 844 N 0.73 0.17 -0.00 0.00 1.82 -0.48 -1.34 116.42 117.32 1aro h ASP 844 Ca 0.15 -0.06 0.00 0.00 -0.39 0.00 0.00 57.03 56.74 1aro h ASP 844 Cb 0.43 -0.04 -0.00 0.00 0.68 0.00 0.00 39.33 40.40 1aro h ASP 844 CO 0.01 0.18 0.00 -0.26 -1.61 0.00 0.00 179.24 177.56 1aro h PHE 845 N 0.15 0.00 0.01 0.28 0.04 -0.51 0.14 116.94 117.06 1aro h PHE 845 Ca 0.05 0.00 -0.00 0.00 2.80 0.00 0.00 57.97 60.82 1aro h PHE 845 Cb 0.04 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.19 1aro h PHE 845 CO -0.05 0.00 -0.01 -0.92 -0.60 0.00 0.00 178.31 176.73 1aro h TYR 846 N 0.00 -0.03 -0.87 -0.55 3.20 0.05 -0.46 116.97 118.31 1aro h TYR 846 Ca 0.00 -0.00 0.23 0.00 3.14 0.00 0.00 58.73 62.10 1aro h TYR 846 Cb 0.00 0.01 -0.15 0.00 1.54 0.00 0.00 36.73 38.14 1aro h TYR 846 CO 0.00 -0.01 0.17 -0.44 -1.64 0.00 0.00 178.16 176.23 1aro h ASP 847 N -0.02 -0.13 -0.90 -2.11 5.19 -0.86 0.72 116.42 118.30 1aro h ASP 847 Ca -0.00 0.21 0.14 0.00 -0.62 0.00 0.00 57.03 56.75 1aro h ASP 847 Cb 0.02 0.31 -0.09 0.00 0.18 0.00 0.00 39.33 39.75 1aro h ASP 847 CO 0.00 -0.19 0.52 1.56 -3.12 0.00 0.00 179.24 178.01 1aro h GLN 848 N 0.16 0.74 0.02 3.56 4.20 -0.32 -0.09 115.11 123.38 1aro h GLN 848 Ca 0.53 -0.04 -0.04 0.00 0.06 0.00 0.00 58.65 59.16 1aro h GLN 848 Cb 1.07 -0.17 0.00 0.00 0.30 0.00 0.00 27.48 28.68 1aro h GLN 848 CO -0.69 0.49 -0.17 0.74 -0.67 0.00 0.00 178.83 178.52 1aro h PHE 849 N 0.77 0.09 -1.14 2.96 0.04 0.73 -3.29 116.94 117.10 1aro h PHE 849 Ca 0.48 -0.06 0.33 0.00 2.80 0.00 0.00 57.97 61.51 1aro h PHE 849 Cb 0.59 -0.00 -0.11 0.00 2.20 0.00 0.00 35.95 38.63 1aro h PHE 849 CO -0.05 1.07 0.73 0.00 -0.60 0.00 0.00 178.31 179.46 1aro h ALA 850 N -0.00 2.41 0.00 2.45 0.00 -0.65 0.49 119.26 123.96 1aro h ALA 850 Ca -0.03 0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1aro h ALA 850 Cb 1.11 0.10 0.00 0.00 0.00 0.00 0.00 17.79 19.00 1aro h ALA 850 CO 0.02 -0.91 0.00 -0.25 0.00 0.00 0.00 179.25 178.11 1aro n ASP 851 N -4.66 0.62 -1.24 0.00 9.92 -0.08 -2.62 116.55 118.49 1aro n ASP 851 Ca 0.30 0.72 0.05 0.00 -0.53 0.00 0.00 54.79 55.33 1aro n ASP 851 Cb 1.09 -0.83 0.28 0.00 -0.64 0.00 0.00 41.12 41.03 1aro n ASP 851 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1aro n GLN 852 N -2.26 3.24 -0.58 -1.24 6.02 0.17 -5.02 117.38 117.72 1aro n GLN 852 Ca 0.00 -2.97 0.00 0.00 -0.01 0.00 0.00 57.00 54.02 1aro n GLN 852 Cb 0.12 -1.97 0.00 0.00 1.02 0.00 0.00 30.24 29.42 1aro n GLN 852 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 1aro n LEU 853 N -0.35 0.00 -4.72 1.08 4.77 -1.08 -4.95 117.00 111.76 1aro n LEU 853 Ca 0.26 0.00 -0.35 0.00 -0.03 0.00 0.00 56.01 55.89 1aro n LEU 853 Cb 1.03 0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 42.04 1aro n LEU 853 CO 0.23 -0.14 -0.17 -2.28 -1.33 0.00 0.00 177.39 173.69 1aro s HIS 854 N 1.08 3.40 0.00 -1.77 5.65 -1.26 -4.99 115.29 117.40 1aro s HIS 854 Ca 0.00 0.33 0.00 0.00 0.25 0.00 0.00 55.06 55.64 1aro s HIS 854 Cb 0.00 -2.18 0.00 0.00 -1.18 0.00 0.00 32.58 29.22 1aro s HIS 854 CO 0.00 0.25 0.00 -1.91 -0.65 0.00 0.00 174.74 172.43 1aro n GLU 855 N 3.64 0.00 0.00 2.88 4.07 -1.26 -2.36 120.64 127.61 1aro n GLU 855 Ca -0.16 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 56.94 1aro n GLU 855 Cb 0.52 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 31.90 1aro n GLU 855 CO 0.00 0.00 0.00 0.45 -0.06 0.00 0.00 177.13 177.52 1aro n SER 856 N 0.00 1.21 -0.27 4.31 2.88 -1.26 -4.72 113.62 115.77 1aro n SER 856 Ca 0.00 0.00 -0.06 0.00 -1.33 0.00 0.00 58.87 57.48 1aro n SER 856 Cb 0.00 0.14 -0.05 0.00 -0.75 0.00 0.00 64.21 63.56 1aro n SER 856 CO 0.00 0.00 0.00 1.67 -1.23 0.00 0.00 175.04 175.48 1aro n GLN 857 N -0.77 -0.26 0.00 -1.46 7.27 -0.99 0.32 117.38 121.49 1aro n GLN 857 Ca 0.00 0.98 0.14 0.00 0.07 0.00 0.00 57.00 58.19 1aro n GLN 857 Cb 0.10 -1.45 0.60 0.00 2.41 0.00 0.00 30.24 31.90 1aro n GLN 857 CO 0.00 0.00 0.00 -0.11 0.07 0.00 0.00 177.06 177.02 1aro n LEU 858 N -4.84 0.21 -3.31 1.69 7.94 -1.07 -4.43 117.00 113.20 1aro n LEU 858 Ca 0.02 0.22 -0.29 0.00 -1.11 0.00 0.00 56.01 54.86 1aro n LEU 858 Cb 0.19 -0.31 -0.03 0.00 0.53 0.00 0.00 43.42 43.80 1aro n LEU 858 CO -0.10 0.04 2.43 0.47 -1.11 0.00 0.00 177.39 179.12 1aro n ASP 859 N -1.27 4.76 -2.01 1.96 9.92 0.94 -4.18 116.55 126.67 1aro n ASP 859 Ca 0.11 -2.44 -0.24 0.00 -0.53 0.00 0.00 54.79 51.68 1aro n ASP 859 Cb 0.29 -1.17 0.03 0.00 -0.64 0.00 0.00 41.12 39.64 1aro n ASP 859 CO 0.00 0.00 0.00 0.29 0.13 0.00 0.00 177.20 177.62 1aro n LYS 860 N 4.81 3.46 -1.90 -1.24 5.02 -1.26 -5.02 118.16 122.02 1aro n LYS 860 Ca 0.49 -4.05 -0.40 0.00 -2.02 0.00 0.00 58.31 52.33 1aro n LYS 860 Cb 0.21 -2.26 0.00 0.00 -0.02 0.00 0.00 35.03 32.96 1aro n LYS 860 CO 0.00 0.00 0.00 -1.64 -0.52 0.00 0.00 177.40 175.24 1aro s MET 861 N -3.61 3.97 0.38 1.97 -1.94 -1.26 -4.98 119.30 113.83 1aro s MET 861 Ca 0.52 2.38 -0.27 0.00 -1.71 0.00 0.00 55.69 56.62 1aro s MET 861 Cb 0.42 -2.83 -0.09 0.00 2.01 0.00 0.00 34.83 34.33 1aro s MET 861 CO 0.03 -0.57 1.28 -1.25 -0.01 0.00 0.00 175.02 174.51 1aro s PRO 862 N -2.20 4.11 0.33 2.03 0.04 -1.26 -4.97 135.00 133.08 1aro s PRO 862 Ca 0.56 2.13 -0.29 0.00 0.04 0.00 0.00 61.00 63.44 1aro s PRO 862 Cb -0.43 -2.85 -0.10 0.00 0.04 0.00 0.00 34.50 31.16 1aro s PRO 862 CO 0.56 -0.37 1.29 0.00 0.04 0.00 0.00 177.00 178.53 1aro s ALA 863 N -1.24 3.47 0.34 8.56 0.00 -1.26 -4.93 121.76 126.70 1aro s ALA 863 Ca 0.54 1.23 -0.29 0.00 0.00 0.00 0.00 51.96 53.45 1aro s ALA 863 Cb -0.38 -3.47 -0.11 0.00 0.00 0.00 0.00 23.12 19.17 1aro s ALA 863 CO 0.49 -0.62 1.45 -0.51 0.00 0.00 0.00 175.76 176.57 1aro s LEU 864 N -1.82 4.36 0.73 0.00 1.43 -1.26 -4.93 118.68 117.19 1aro s LEU 864 Ca 0.49 2.90 -0.16 0.00 -1.03 0.00 0.00 54.13 56.33 1aro s LEU 864 Cb -0.39 -3.65 0.03 0.00 0.03 0.00 0.00 46.19 42.20 1aro s LEU 864 CO 0.52 -0.77 1.14 -0.81 0.23 0.00 0.00 176.35 176.66 1aro n PRO 865 N 1.03 0.59 -2.54 1.29 -0.04 -1.26 -4.93 135.00 129.14 1aro n PRO 865 Ca 0.02 0.27 -0.40 0.00 -0.04 0.00 0.00 63.50 63.35 1aro n PRO 865 Cb 0.40 -2.39 -0.05 0.00 -0.04 0.00 0.00 33.50 31.42 1aro n PRO 865 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1aro s ALA 866 N -1.78 3.39 0.65 0.55 0.00 -1.26 -5.02 121.76 118.29 1aro s ALA 866 Ca 0.76 0.83 -0.13 0.00 0.00 0.00 0.00 51.96 53.42 1aro s ALA 866 Cb -0.34 -3.30 -0.01 0.00 0.00 0.00 0.00 23.12 19.47 1aro s ALA 866 CO 0.47 -0.07 1.06 0.15 0.00 0.00 0.00 175.76 177.37 1aro s LYS 867 N -1.39 3.11 0.00 0.00 1.02 -1.26 -5.00 119.74 116.22 1aro s LYS 867 Ca 0.44 1.06 0.00 0.00 0.02 0.00 0.00 55.97 57.48 1aro s LYS 867 Cb -0.30 -2.01 0.00 0.00 -0.52 0.00 0.00 37.83 35.00 1aro s LYS 867 CO 0.39 -0.97 0.00 0.41 -0.92 0.00 0.00 175.35 174.26 1aro n GLY 868 N -1.57 3.44 3.14 -3.33 0.00 -0.68 -5.01 105.19 101.17 1aro n GLY 868 Ca 0.08 -1.96 -0.34 0.00 0.00 0.00 0.00 46.02 43.81 1aro n GLY 868 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1aro s ASN 869 N -0.33 4.56 -0.08 1.61 2.20 -0.71 -4.79 114.94 117.40 1aro s ASN 869 Ca 0.00 -1.24 0.04 0.00 -0.94 0.00 0.00 52.86 50.72 1aro s ASN 869 Cb 0.00 -1.63 -0.01 0.00 -2.00 0.00 0.00 41.25 37.61 1aro s ASN 869 CO 0.00 -0.20 -0.20 -0.22 -2.94 0.00 0.00 177.10 173.53 1aro s LEU 870 N 1.21 2.33 0.24 3.54 2.96 -1.22 -4.03 118.68 123.70 1aro s LEU 870 Ca -0.05 -0.43 -0.28 0.00 -0.22 0.00 0.00 54.13 53.14 1aro s LEU 870 Cb -0.19 -1.47 -0.16 0.00 0.50 0.00 0.00 46.19 44.88 1aro s LEU 870 CO -0.04 0.22 0.74 0.59 -1.32 0.00 0.00 176.35 176.55 1aro n ASN 871 N 3.12 -0.09 -0.85 3.68 3.02 -1.26 -4.33 115.26 118.54 1aro n ASN 871 Ca -0.18 1.15 -0.11 0.00 -0.03 0.00 0.00 54.58 55.42 1aro n ASN 871 Cb 0.52 -1.10 -0.03 0.00 -0.61 0.00 0.00 39.78 38.57 1aro n ASN 871 CO 0.00 0.00 0.00 -0.11 -2.62 0.00 0.00 177.26 174.53 1aro n LEU 872 N 1.65 0.12 -0.01 3.41 7.94 -1.26 -4.38 117.00 124.47 1aro n LEU 872 Ca 0.14 0.10 0.01 0.00 -1.11 0.00 0.00 56.01 55.15 1aro n LEU 872 Cb 0.28 -0.18 0.01 0.00 0.53 0.00 0.00 43.42 44.07 1aro n LEU 872 CO 0.58 -0.15 0.03 0.54 -1.11 0.00 0.00 177.39 177.28 1aro n ARG 873 N 1.54 -0.00 0.00 1.96 5.12 -1.26 0.59 116.66 124.62 1aro n ARG 873 Ca 0.12 0.04 0.03 0.00 -1.93 0.00 0.00 57.85 56.10 1aro n ARG 873 Cb -0.00 -0.06 0.16 0.00 -1.16 0.00 0.00 32.46 31.39 1aro n ARG 873 CO 0.00 0.00 0.00 -0.25 -1.93 0.00 0.00 177.63 175.45 1aro n ASP 874 N -3.22 0.00 0.14 0.55 8.00 -1.26 0.11 116.55 120.87 1aro n ASP 874 Ca 0.01 0.10 0.12 0.00 0.71 0.00 0.00 54.79 55.74 1aro n ASP 874 Cb 0.03 -0.22 0.21 0.00 -0.02 0.00 0.00 41.12 41.13 1aro n ASP 874 CO 0.00 0.00 0.00 -0.29 -0.39 0.00 0.00 177.20 176.52 1aro h ILE 875 N 0.00 0.00 -0.08 0.53 6.09 1.64 -3.24 117.51 122.46 1aro h ILE 875 Ca 0.00 -0.75 -0.04 0.00 -1.37 0.00 0.00 64.86 62.70 1aro h ILE 875 Cb 0.04 1.59 -0.01 0.00 0.47 0.00 0.00 36.82 38.91 1aro h ILE 875 CO 0.00 0.00 -0.16 0.25 -3.07 0.00 0.00 178.15 175.17 1aro h LEU 876 N 0.00 0.11-10.03 2.19 5.85 0.64 -3.36 115.31 110.71 1aro h LEU 876 Ca 0.00 -0.02 -0.55 0.00 0.84 0.00 0.00 57.88 58.15 1aro h LEU 876 Cb 0.87 -0.03 -0.03 0.00 0.37 0.00 0.00 40.66 41.85 1aro h LEU 876 CO 0.00 0.29 -0.40 -1.83 -0.34 0.00 0.00 178.44 176.16 1aro s GLU 877 N -4.67 3.49 0.44 1.25 -1.05 -1.22 -4.42 118.70 112.52 1aro s GLU 877 Ca -0.05 -0.43 0.15 0.00 -0.15 0.00 0.00 54.97 54.50 1aro s GLU 877 Cb 0.16 -2.91 0.84 0.00 -0.44 0.00 0.00 34.13 31.77 1aro s GLU 877 CO 0.72 0.47 1.39 0.77 0.95 0.00 0.00 175.26 179.56 1aro h SER 878 N 2.23 0.00 0.00 0.83 0.02 -1.87 -3.46 113.55 111.29 1aro h SER 878 Ca -0.48 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.47 1aro h SER 878 Cb 1.19 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.73 1aro h SER 878 CO 0.69 0.00 0.00 0.47 -1.14 0.00 0.00 176.83 176.85