#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1u0e h ALA 2 N 0.00 1.09 -0.08 0.00 0.00 -1.95 -2.82 119.26 115.50 1u0e h ALA 2 Ca 0.00 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 1u0e h ALA 2 Cb 0.00 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 17.60 1u0e h ALA 2 CO 0.00 0.18 0.03 1.25 0.00 0.00 0.00 179.25 180.71 1u0e h LEU 3 N 0.85 0.12 -1.30 0.00 5.85 -1.85 -2.22 115.31 116.76 1u0e h LEU 3 Ca 0.36 -0.20 -0.05 0.00 0.84 0.00 0.00 57.88 58.83 1u0e h LEU 3 Cb 0.21 -0.03 -0.01 0.00 0.37 0.00 0.00 40.66 41.20 1u0e h LEU 3 CO -0.19 0.28 -0.22 0.71 -0.34 0.00 0.00 178.44 178.69 1u0e h THR 4 N -0.05 0.61 0.00 1.05 1.35 -1.93 -2.37 112.91 111.57 1u0e h THR 4 Ca 0.03 -1.02 0.00 0.00 -0.55 0.00 0.00 66.41 64.86 1u0e h THR 4 Cb 0.21 1.68 0.00 0.00 -1.73 0.00 0.00 68.15 68.30 1u0e h THR 4 CO -0.00 0.21 -0.22 0.54 -0.25 0.00 0.00 175.52 175.81 1u0e n ARG 5 N -3.48 0.03 -2.46 4.72 1.74 -1.07 -4.75 116.66 111.39 1u0e n ARG 5 Ca -0.00 0.02 -0.42 0.00 -0.77 0.00 0.00 57.85 56.67 1u0e n ARG 5 Cb 0.39 -1.52 -0.03 0.00 -1.02 0.00 0.00 32.46 30.28 1u0e n ARG 5 CO 0.00 0.00 0.00 1.21 -1.52 0.00 0.00 177.63 177.32 1u0e s ASN 6 N -3.14 7.04 0.35 0.55 3.84 -0.85 -4.95 114.94 117.79 1u0e s ASN 6 Ca 0.12 1.80 0.07 0.00 0.21 0.00 0.00 52.86 55.07 1u0e s ASN 6 Cb 0.18 -2.56 0.66 0.00 -0.55 0.00 0.00 41.25 38.98 1u0e s ASN 6 CO 0.61 -0.60 1.86 1.55 -2.79 0.00 0.00 177.10 177.73 1u0e h PRO 7 N 7.51 0.33 -0.15 0.43 0.13 -1.89 -1.27 132.00 137.09 1u0e h PRO 7 Ca -0.34 -0.09 -0.11 0.00 -0.87 0.00 0.00 66.00 64.60 1u0e h PRO 7 Cb 1.16 -0.04 -0.01 0.00 0.13 0.00 0.00 31.00 32.24 1u0e h PRO 7 CO 0.89 0.48 -0.38 1.96 -0.23 0.00 0.00 178.00 180.71 1u0e h GLN 8 N 0.31 0.33 -0.28 0.86 7.50 -1.94 -0.78 115.11 121.10 1u0e h GLN 8 Ca 0.06 -0.15 -0.13 0.00 0.50 0.00 0.00 58.65 58.92 1u0e h GLN 8 Cb 0.45 -0.01 -0.00 0.00 0.05 0.00 0.00 27.48 27.97 1u0e h GLN 8 CO 0.03 0.66 -0.35 0.35 -1.50 0.00 0.00 178.83 178.03 1u0e h PHE 9 N 0.28 0.90 -0.91 2.96 3.57 -1.72 -2.21 116.94 119.79 1u0e h PHE 9 Ca 0.03 -0.28 0.02 0.00 3.53 0.00 0.00 57.97 61.26 1u0e h PHE 9 Cb 0.80 -0.18 -0.05 0.00 2.79 0.00 0.00 35.95 39.31 1u0e h PHE 9 CO 0.02 1.05 0.61 1.96 -2.23 0.00 0.00 178.31 179.72 1u0e h GLN 10 N 0.48 1.18 -0.59 1.11 4.20 -0.98 0.66 115.11 121.18 1u0e h GLN 10 Ca 0.04 -0.07 -0.04 0.00 0.06 0.00 0.00 58.65 58.64 1u0e h GLN 10 Cb 0.93 -0.27 -0.03 0.00 0.30 0.00 0.00 27.48 28.42 1u0e h GLN 10 CO 0.08 0.78 0.22 -0.22 -0.67 0.00 0.00 178.83 179.03 1u0e h LYS 11 N 1.22 0.90 -0.31 1.46 3.64 -1.11 -1.32 116.57 121.05 1u0e h LYS 11 Ca 0.34 -0.17 -0.04 0.00 -1.27 0.00 0.00 60.65 59.51 1u0e h LYS 11 Cb -0.11 -0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 31.56 1u0e h LYS 11 CO -0.08 0.78 0.03 1.25 -2.27 0.00 0.00 179.45 179.16 1u0e h LEU 12 N 0.83 0.51 -0.47 5.20 5.85 -0.68 -0.66 115.31 125.89 1u0e h LEU 12 Ca 0.20 -0.28 -0.02 0.00 0.84 0.00 0.00 57.88 58.61 1u0e h LEU 12 Cb 0.23 -0.14 -0.02 0.00 0.37 0.00 0.00 40.66 41.10 1u0e h LEU 12 CO -0.01 0.67 0.22 0.25 -0.34 0.00 0.00 178.44 179.22 1u0e h LEU 13 N 0.34 0.63 -0.47 2.25 5.85 -0.81 -0.05 115.31 123.05 1u0e h LEU 13 Ca 0.09 -0.14 -0.05 0.00 0.84 0.00 0.00 57.88 58.62 1u0e h LEU 13 Cb 0.39 -0.16 -0.02 0.00 0.37 0.00 0.00 40.66 41.24 1u0e h LEU 13 CO 0.01 0.60 0.09 -0.08 -0.34 0.00 0.00 178.44 178.72 1u0e h GLU 14 N 0.62 0.77 -0.43 1.25 4.57 -1.15 -0.33 114.58 119.89 1u0e h GLU 14 Ca 0.16 -0.20 0.04 0.00 -1.18 0.00 0.00 59.36 58.18 1u0e h GLU 14 Cb 0.14 -0.09 -0.04 0.00 -0.16 0.00 0.00 28.75 28.60 1u0e h GLU 14 CO -0.02 0.78 0.21 2.35 -1.18 0.00 0.00 179.01 181.15 1u0e h TRP 15 N 0.65 0.39 -0.33 0.92 7.01 -0.91 -1.59 115.95 122.09 1u0e h TRP 15 Ca 0.14 0.02 0.05 0.00 2.11 0.00 0.00 58.89 61.21 1u0e h TRP 15 Cb 0.37 -0.11 -0.04 0.00 -2.10 0.00 0.00 29.16 27.27 1u0e h TRP 15 CO 0.03 0.20 0.05 1.25 -2.79 0.00 0.00 178.44 177.17 1u0e h HIS 16 N 0.42 0.08 -0.64 2.65 2.76 -0.58 -1.30 115.15 118.54 1u0e h HIS 16 Ca 0.18 0.02 0.09 0.00 -2.20 0.00 0.00 60.37 58.47 1u0e h HIS 16 Cb 0.10 0.01 -0.07 0.00 1.55 0.00 0.00 27.41 29.00 1u0e h HIS 16 CO -0.10 0.00 0.27 0.00 -1.30 0.00 0.00 177.93 176.80 1u0e h ARG 17 N 0.16 0.47 0.00 5.26 3.08 -0.56 -1.54 114.38 121.25 1u0e h ARG 17 Ca 0.15 -0.03 -0.14 0.00 0.07 0.00 0.00 59.98 60.04 1u0e h ARG 17 Cb 0.18 -0.11 -0.02 0.00 0.08 0.00 0.00 29.97 30.10 1u0e h ARG 17 CO -0.21 0.31 -0.65 0.00 -1.07 0.00 0.00 179.97 178.35 1u0e h ALA 18 N 1.41 0.60 0.00 0.04 0.00 -0.96 -3.42 119.26 116.93 1u0e h ALA 18 Ca 0.32 -0.59 0.00 0.00 0.00 0.00 0.00 54.91 54.64 1u0e h ALA 18 Cb 0.36 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.05 1u0e h ALA 18 CO -0.29 0.81 -0.34 0.09 0.00 0.00 0.00 179.25 179.52 1u0e n ASN 19 N -3.29 1.72 0.13 0.00 4.13 -0.52 -4.84 115.26 112.59 1u0e n ASN 19 Ca 0.01 0.00 0.02 0.00 1.68 0.00 0.00 54.58 56.29 1u0e n ASN 19 Cb 0.78 0.34 0.38 0.00 -1.54 0.00 0.00 39.78 39.74 1u0e n ASN 19 CO 0.00 0.00 0.00 0.77 0.28 0.00 0.00 177.26 178.31 1u0e h SER 20 N 0.00 0.19 -0.08 6.41 4.64 -1.41 -1.47 113.55 121.82 1u0e h SER 20 Ca 0.00 -0.04 0.02 0.00 -0.47 0.00 0.00 61.79 61.30 1u0e h SER 20 Cb 0.01 -0.05 -0.00 0.00 -0.31 0.00 0.00 62.40 62.05 1u0e h SER 20 CO 0.00 0.39 0.17 0.00 -0.87 0.00 0.00 176.83 176.52 1u0e h ALA 21 N 1.63 1.46 -0.01 5.18 0.00 -1.88 -1.79 119.26 123.85 1u0e h ALA 21 Ca 0.03 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1u0e h ALA 21 Cb 0.44 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.24 1u0e h ALA 21 CO 0.03 -0.21 -0.28 0.09 0.00 0.00 0.00 179.25 178.88 1u0e n ASN 22 N -3.38 1.38 -4.64 0.00 5.03 -0.55 -4.84 115.26 108.25 1u0e n ASN 22 Ca -0.01 -1.14 -0.43 0.00 0.87 0.00 0.00 54.58 53.88 1u0e n ASN 22 Cb 0.26 0.20 -0.03 0.00 -1.02 0.00 0.00 39.78 39.19 1u0e n ASN 22 CO 0.00 0.00 0.00 -0.76 -1.83 0.00 0.00 177.26 174.67 1u0e s LEU 23 N -2.43 4.04 -0.15 3.41 1.43 -0.68 -5.01 118.68 119.29 1u0e s LEU 23 Ca 0.24 1.08 -0.02 0.00 -1.03 0.00 0.00 54.13 54.40 1u0e s LEU 23 Cb 0.19 -3.38 0.05 0.00 0.03 0.00 0.00 46.19 43.07 1u0e s LEU 23 CO 0.51 -0.69 0.00 -0.54 0.23 0.00 0.00 176.35 175.86 1u0e s LYS 24 N 3.22 0.86 0.19 1.70 -0.14 -1.26 -5.04 119.74 119.28 1u0e s LYS 24 Ca 0.40 -0.29 -0.12 0.00 -1.36 0.00 0.00 55.97 54.61 1u0e s LYS 24 Cb -0.14 -1.75 0.15 0.00 -1.68 0.00 0.00 37.83 34.41 1u0e s LYS 24 CO 0.10 -0.48 1.83 -0.07 -0.76 0.00 0.00 175.35 175.97 1u0e h LEU 25 N 8.23 0.62 -0.66 3.17 3.38 -1.92 0.14 115.31 128.28 1u0e h LEU 25 Ca -0.19 0.00 0.08 0.00 0.09 0.00 0.00 57.88 57.86 1u0e h LEU 25 Cb 1.12 -0.13 -0.07 0.00 0.09 0.00 0.00 40.66 41.67 1u0e h LEU 25 CO 0.33 0.43 0.31 -0.09 0.09 0.00 0.00 178.44 179.52 1u0e h ARG 26 N 0.75 0.53 -0.18 1.13 2.43 -1.91 -1.43 114.38 115.70 1u0e h ARG 26 Ca 0.25 -0.03 -0.18 0.00 -0.81 0.00 0.00 59.98 59.21 1u0e h ARG 26 Cb 0.02 -0.12 -0.00 0.00 -0.42 0.00 0.00 29.97 29.45 1u0e h ARG 26 CO -0.10 0.35 -0.62 0.93 -1.51 0.00 0.00 179.97 179.02 1u0e h GLU 27 N 0.55 0.63 -0.89 0.20 5.08 -1.71 -2.15 114.58 116.29 1u0e h GLU 27 Ca 0.32 -0.44 0.01 0.00 -1.00 0.00 0.00 59.36 58.25 1u0e h GLU 27 Cb 0.33 0.07 -0.04 0.00 0.50 0.00 0.00 28.75 29.60 1u0e h GLU 27 CO -0.26 1.06 0.59 -0.07 -1.00 0.00 0.00 179.01 179.33 1u0e h LEU 28 N 0.47 1.03 -0.22 1.33 3.38 -0.37 -1.83 115.31 119.09 1u0e h LEU 28 Ca -0.01 -0.03 -0.12 0.00 0.09 0.00 0.00 57.88 57.82 1u0e h LEU 28 Cb 1.20 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 41.69 1u0e h LEU 28 CO 0.12 0.75 -0.31 -0.26 0.09 0.00 0.00 178.44 178.83 1u0e h PHE 29 N 1.21 0.74 -0.28 1.13 -1.00 -1.21 -2.93 116.94 114.59 1u0e h PHE 29 Ca 0.33 -0.24 -0.02 0.00 2.81 0.00 0.00 57.97 60.85 1u0e h PHE 29 Cb -0.14 -0.15 -0.01 0.00 3.61 0.00 0.00 35.95 39.26 1u0e h PHE 29 CO -0.01 0.98 0.11 0.93 -1.61 0.00 0.00 178.31 178.71 1u0e h GLU 30 N 0.29 0.40 0.00 1.51 4.39 -1.13 -2.85 114.58 117.19 1u0e h GLU 30 Ca 0.02 -0.04 0.00 0.00 0.34 0.00 0.00 59.36 59.68 1u0e h GLU 30 Cb 0.89 -0.08 0.00 0.00 -0.10 0.00 0.00 28.75 29.46 1u0e h GLU 30 CO 0.07 0.34 -0.40 0.00 -1.16 0.00 0.00 179.01 177.86 1u0e n ALA 31 N -2.49 2.70 -3.45 3.43 0.00 -0.71 -4.67 120.51 115.31 1u0e n ALA 31 Ca 0.01 -0.17 -0.26 0.00 0.00 0.00 0.00 53.44 53.03 1u0e n ALA 31 Cb 0.13 -1.28 -0.11 0.00 0.00 0.00 0.00 19.45 18.19 1u0e n ALA 31 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1u0e s ASP 32 N -4.34 2.59 0.51 0.00 2.15 -1.08 -4.98 116.67 111.52 1u0e s ASP 32 Ca 0.08 -1.81 0.34 0.00 0.43 0.00 0.00 52.55 51.59 1u0e s ASP 32 Cb 0.13 -0.12 1.78 0.00 -0.30 0.00 0.00 42.92 44.41 1u0e s ASP 32 CO 0.68 -0.33 2.04 -0.65 -0.17 0.00 0.00 175.17 176.74 1u0e h PRO 33 N 7.34 0.00 -0.12 4.34 0.11 -1.83 -1.96 132.00 139.87 1u0e h PRO 33 Ca 0.00 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 1u0e h PRO 33 Cb 1.00 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.11 1u0e h PRO 33 CO 0.28 0.00 0.00 0.39 -0.21 0.00 0.00 178.00 178.46 1u0e n GLU 34 N -2.73 1.53 -0.11 1.05 -0.58 -1.26 -4.55 120.64 113.99 1u0e n GLU 34 Ca -0.02 -0.80 -0.05 0.00 -0.42 0.00 0.00 57.16 55.87 1u0e n GLU 34 Cb 0.09 -1.36 0.02 0.00 -0.57 0.00 0.00 31.44 29.62 1u0e n GLU 34 CO 0.00 0.00 0.00 -0.09 -0.48 0.00 0.00 177.13 176.56 1u0e h ARG 35 N 1.62 0.20 -0.10 3.49 2.43 -1.70 -0.78 114.38 119.54 1u0e h ARG 35 Ca 0.00 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.16 1u0e h ARG 35 Cb 0.35 -0.05 -0.00 0.00 -0.42 0.00 0.00 29.97 29.86 1u0e h ARG 35 CO 0.00 0.13 0.06 0.35 -1.51 0.00 0.00 179.97 179.00 1u0e h PHE 36 N 0.21 0.12 -0.90 2.20 3.57 -1.85 -1.63 116.94 118.66 1u0e h PHE 36 Ca 0.18 0.00 0.10 0.00 3.53 0.00 0.00 57.97 61.78 1u0e h PHE 36 Cb 0.20 -0.04 -0.07 0.00 2.79 0.00 0.00 35.95 38.83 1u0e h PHE 36 CO -0.19 0.08 0.58 -0.91 -2.23 0.00 0.00 178.31 175.65 1u0e h ASN 37 N 0.12 0.79 0.83 0.41 -0.26 -1.68 -2.66 115.58 113.14 1u0e h ASN 37 Ca 0.03 0.03 0.00 0.00 -0.56 0.00 0.00 56.30 55.80 1u0e h ASN 37 Cb -0.01 -0.14 0.00 0.00 -1.06 0.00 0.00 38.32 37.12 1u0e h ASN 37 CO -0.01 0.46 -0.53 0.59 -1.06 0.00 0.00 177.43 176.88 1u0e n ASN 38 N -4.54 0.62 -2.44 5.81 5.03 -0.37 -4.23 115.26 115.14 1u0e n ASN 38 Ca 0.16 0.09 -0.17 0.00 0.87 0.00 0.00 54.58 55.52 1u0e n ASN 38 Cb 0.33 0.09 0.02 0.00 -1.02 0.00 0.00 39.78 39.20 1u0e n ASN 38 CO 0.00 0.00 0.00 0.49 -1.83 0.00 0.00 177.26 175.92 1u0e n PHE 39 N -1.95 2.35 -3.71 3.10 3.01 -0.64 -5.04 117.46 114.57 1u0e n PHE 39 Ca 0.04 -2.58 -0.12 0.00 1.01 0.00 0.00 57.45 55.81 1u0e n PHE 39 Cb 0.41 -0.25 -0.06 0.00 -0.01 0.00 0.00 39.48 39.57 1u0e n PHE 39 CO 0.00 0.00 0.00 -1.54 1.01 0.00 0.00 176.76 176.23 1u0e s SER 40 N -3.53 -0.18 -0.09 4.37 1.04 -1.14 -1.29 113.70 112.88 1u0e s SER 40 Ca 0.41 -0.19 0.01 0.00 0.48 0.00 0.00 55.95 56.66 1u0e s SER 40 Cb 0.40 0.40 0.02 0.00 0.10 0.00 0.00 66.02 66.94 1u0e s SER 40 CO -0.04 -0.69 -0.11 -0.76 0.98 0.00 0.00 173.24 172.61 1u0e s LEU 41 N -2.25 1.52 -0.42 2.42 1.43 0.10 -4.98 118.68 116.50 1u0e s LEU 41 Ca -0.03 -0.33 -0.05 0.00 -1.03 0.00 0.00 54.13 52.69 1u0e s LEU 41 Cb 0.00 -0.88 0.10 0.00 0.03 0.00 0.00 46.19 45.44 1u0e s LEU 41 CO -0.05 -0.02 0.24 0.21 0.23 0.00 0.00 176.35 176.96 1u0e s ASN 42 N 1.05 5.41 -0.17 2.29 3.84 -1.26 0.07 114.94 126.17 1u0e s ASN 42 Ca -0.07 -1.88 -0.18 0.00 0.21 0.00 0.00 52.86 50.95 1u0e s ASN 42 Cb -0.15 -1.89 -0.04 0.00 -0.55 0.00 0.00 41.25 38.62 1u0e s ASN 42 CO -0.01 -0.57 0.47 -0.76 -2.79 0.00 0.00 177.10 173.44 1u0e s LEU 43 N 1.25 4.20 -0.37 3.21 1.43 0.38 -4.95 118.68 123.82 1u0e s LEU 43 Ca 0.06 0.69 -0.12 0.00 -1.03 0.00 0.00 54.13 53.72 1u0e s LEU 43 Cb -0.24 -2.65 0.01 0.00 0.03 0.00 0.00 46.19 43.35 1u0e s LEU 43 CO -0.02 -0.08 0.24 0.21 0.23 0.00 0.00 176.35 176.92 1u0e s ASN 44 N 0.91 5.88 0.00 2.29 3.84 -1.26 -0.92 114.94 125.68 1u0e s ASN 44 Ca 0.23 -0.82 0.27 0.00 0.21 0.00 0.00 52.86 52.75 1u0e s ASN 44 Cb -0.15 -2.08 0.83 0.00 -0.55 0.00 0.00 41.25 39.30 1u0e s ASN 44 CO 0.09 -0.36 1.61 0.35 -2.79 0.00 0.00 177.10 176.00 1u0e n THR 45 N 5.07 0.00 -0.71 -5.21 -2.24 -0.62 -4.91 114.28 105.66 1u0e n THR 45 Ca -0.12 -0.15 0.00 0.00 -2.27 0.00 0.00 64.05 61.51 1u0e n THR 45 Cb 0.47 0.41 0.00 0.00 -2.10 0.00 0.00 70.33 69.11 1u0e n THR 45 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 1u0e n ASN 46 N -0.47 0.00 -1.75 3.42 4.13 -1.26 -4.76 115.26 114.56 1u0e n ASN 46 Ca 0.14 0.00 -0.00 0.00 1.68 0.00 0.00 54.58 56.39 1u0e n ASN 46 Cb 0.35 -0.61 0.07 0.00 -1.54 0.00 0.00 39.78 38.04 1u0e n ASN 46 CO 0.00 0.00 0.00 1.41 0.28 0.00 0.00 177.26 178.95 1u0e n HIS 47 N -2.00 0.70 0.00 3.10 8.25 -1.26 -5.09 115.22 118.92 1u0e n HIS 47 Ca 0.00 -1.37 0.00 0.00 -0.26 0.00 0.00 57.72 56.09 1u0e n HIS 47 Cb 0.00 -0.22 0.00 0.00 1.12 0.00 0.00 29.99 30.89 1u0e n HIS 47 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1u0e n GLY 48 N -0.27 3.41 3.77 -1.41 0.00 -1.26 -4.82 105.19 104.61 1u0e n GLY 48 Ca 0.14 -1.89 -0.32 0.00 0.00 0.00 0.00 46.02 43.95 1u0e n GLY 48 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1u0e s HIS 49 N -2.78 3.23 -0.17 1.61 0.09 -1.26 -1.58 115.29 114.43 1u0e s HIS 49 Ca 0.00 0.14 0.01 0.00 -0.00 0.00 0.00 55.06 55.21 1u0e s HIS 49 Cb 0.00 -1.68 0.02 0.00 -0.00 0.00 0.00 32.58 30.92 1u0e s HIS 49 CO 0.00 0.53 -0.17 0.42 -0.00 0.00 0.00 174.74 175.52 1u0e s ILE 50 N -1.27 1.85 -0.29 0.60 1.01 -0.10 -1.67 121.20 121.33 1u0e s ILE 50 Ca 0.25 -0.85 -0.11 0.00 0.00 0.00 0.00 60.65 59.94 1u0e s ILE 50 Cb -0.12 -1.72 -0.04 0.00 0.01 0.00 0.00 42.46 40.58 1u0e s ILE 50 CO 0.17 0.46 0.19 -0.22 0.00 0.00 0.00 174.94 175.55 1u0e s LEU 51 N 1.36 4.07 -0.46 2.97 2.96 0.78 -0.47 118.68 129.89 1u0e s LEU 51 Ca 0.04 -0.07 -0.11 0.00 -0.22 0.00 0.00 54.13 53.77 1u0e s LEU 51 Cb -0.13 -2.12 0.10 0.00 0.50 0.00 0.00 46.19 44.54 1u0e s LEU 51 CO -0.12 -0.07 0.34 -0.69 -1.32 0.00 0.00 176.35 174.49 1u0e s VAL 52 N 1.75 4.45 -0.45 1.68 1.01 0.11 -1.42 120.40 127.53 1u0e s VAL 52 Ca 0.07 -1.54 -0.14 0.00 0.00 0.00 0.00 61.98 60.37 1u0e s VAL 52 Cb -0.16 -3.82 0.07 0.00 0.00 0.00 0.00 36.38 32.47 1u0e s VAL 52 CO 0.11 -0.67 0.34 -0.62 0.00 0.00 0.00 175.10 174.26 1u0e s ASP 53 N 2.58 6.00 -0.19 3.32 2.15 0.56 -0.72 116.67 130.37 1u0e s ASP 53 Ca 0.04 -1.30 0.16 0.00 0.43 0.00 0.00 52.55 51.88 1u0e s ASP 53 Cb -0.25 -2.13 0.62 0.00 -0.30 0.00 0.00 42.92 40.85 1u0e s ASP 53 CO 0.01 -0.58 1.52 0.00 -0.17 0.00 0.00 175.17 175.95 1u0e n TYR 54 N 5.12 1.28 0.16 -5.34 0.18 -0.41 -1.56 117.16 116.58 1u0e n TYR 54 Ca -0.12 -0.83 0.01 0.00 1.88 0.00 0.00 57.90 58.85 1u0e n TYR 54 Cb 0.44 -0.37 0.32 0.00 -0.38 0.00 0.00 39.34 39.35 1u0e n TYR 54 CO 0.00 0.00 0.00 0.66 -2.08 0.00 0.00 176.86 175.44 1u0e h SER 55 N 2.47 0.08 -0.03 9.48 4.64 -1.51 -3.04 113.55 125.65 1u0e h SER 55 Ca 0.00 -0.03 -0.01 0.00 -0.47 0.00 0.00 61.79 61.28 1u0e h SER 55 Cb 1.59 -0.02 -0.01 0.00 -0.31 0.00 0.00 62.40 63.65 1u0e h SER 55 CO 0.30 0.45 0.02 0.29 -0.87 0.00 0.00 176.83 177.01 1u0e n LYS 56 N -4.08 1.04 -4.12 4.77 5.02 -1.26 -4.84 118.16 114.69 1u0e n LYS 56 Ca -0.02 -0.08 -0.26 0.00 -2.02 0.00 0.00 58.31 55.94 1u0e n LYS 56 Cb 0.42 -1.03 -0.06 0.00 -0.02 0.00 0.00 35.03 34.34 1u0e n LYS 56 CO 0.00 0.00 0.00 -0.80 -0.52 0.00 0.00 177.40 176.08 1u0e s ASN 57 N 1.11 5.32 -1.38 4.39 0.01 -1.15 -1.69 114.94 121.55 1u0e s ASN 57 Ca 0.02 -0.22 -0.15 0.00 -0.71 0.00 0.00 52.86 51.80 1u0e s ASN 57 Cb 0.01 -1.32 0.00 0.00 0.41 0.00 0.00 41.25 40.35 1u0e s ASN 57 CO 0.00 0.06 2.26 0.18 -1.51 0.00 0.00 177.10 178.09 1u0e n LEU 58 N -0.43 6.67 -3.98 0.60 4.77 -1.26 -4.84 117.00 118.52 1u0e n LEU 58 Ca -0.08 -3.99 -0.08 0.00 -0.03 0.00 0.00 56.01 51.83 1u0e n LEU 58 Cb 0.55 -1.57 -0.09 0.00 -2.33 0.00 0.00 43.42 39.98 1u0e n LEU 58 CO 0.42 1.01 -0.24 0.68 -1.33 0.00 0.00 177.39 177.92 1u0e s VAL 59 N 3.33 0.17 0.19 4.08 -7.23 -1.26 -5.09 120.40 114.60 1u0e s VAL 59 Ca 0.50 -1.44 0.03 0.00 -1.81 0.00 0.00 61.98 59.26 1u0e s VAL 59 Cb 0.14 -1.30 -0.01 0.00 0.56 0.00 0.00 36.38 35.77 1u0e s VAL 59 CO -0.06 -0.79 0.09 -0.46 -0.31 0.00 0.00 175.10 173.57 1u0e n ASN 60 N 0.23 0.64 -0.21 4.85 0.23 -1.26 -5.01 115.26 114.72 1u0e n ASN 60 Ca -0.16 -2.09 0.02 0.00 -0.53 0.00 0.00 54.58 51.83 1u0e n ASN 60 Cb 0.61 0.61 0.12 0.00 -2.08 0.00 0.00 39.78 39.05 1u0e n ASN 60 CO 0.00 0.00 0.00 0.50 -0.93 0.00 0.00 177.26 176.83 1u0e h LYS 61 N 0.00 0.22 -0.38 -3.83 3.64 -1.99 -1.89 116.57 112.33 1u0e h LYS 61 Ca -0.15 -0.01 -0.03 0.00 -1.27 0.00 0.00 60.65 59.19 1u0e h LYS 61 Cb 0.60 -0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 32.36 1u0e h LYS 61 CO 0.23 0.15 0.12 0.93 -2.27 0.00 0.00 179.45 178.60 1u0e h GLU 62 N 0.23 0.59 -0.50 1.90 3.07 -1.99 -1.17 114.58 116.71 1u0e h GLU 62 Ca 0.34 -0.12 0.02 0.00 -0.50 0.00 0.00 59.36 59.09 1u0e h GLU 62 Cb 0.54 -0.09 -0.03 0.00 -0.84 0.00 0.00 28.75 28.33 1u0e h GLU 62 CO -0.46 0.59 0.31 0.28 -1.40 0.00 0.00 179.01 178.34 1u0e h VAL 63 N 0.46 1.08 -0.66 3.13 2.07 -1.87 0.14 116.25 120.60 1u0e h VAL 63 Ca 0.12 -0.21 -0.05 0.00 0.82 0.00 0.00 66.70 67.37 1u0e h VAL 63 Cb 0.25 0.40 -0.03 0.00 -1.52 0.00 0.00 31.29 30.39 1u0e h VAL 63 CO -0.00 0.11 0.21 0.24 0.02 0.00 0.00 177.57 178.15 1u0e h MET 64 N 0.63 1.03 -0.39 1.57 2.86 -1.13 -0.36 114.93 119.14 1u0e h MET 64 Ca 0.19 -0.22 0.02 0.00 -2.06 0.00 0.00 59.70 57.63 1u0e h MET 64 Cb -0.02 -0.15 -0.03 0.00 0.06 0.00 0.00 31.60 31.47 1u0e h MET 64 CO -0.07 0.90 0.23 1.96 1.06 0.00 0.00 176.91 180.98 1u0e h GLN 65 N 0.97 0.45 -0.70 1.72 4.20 -0.79 -0.26 115.11 120.69 1u0e h GLN 65 Ca 0.21 -0.03 -0.05 0.00 0.06 0.00 0.00 58.65 58.85 1u0e h GLN 65 Cb 0.30 -0.10 -0.03 0.00 0.30 0.00 0.00 27.48 27.94 1u0e h GLN 65 CO -0.01 0.30 0.25 0.52 -0.67 0.00 0.00 178.83 179.22 1u0e h MET 66 N 0.46 1.05 -0.24 1.46 2.86 -0.59 0.03 114.93 119.96 1u0e h MET 66 Ca 0.16 -0.19 -0.04 0.00 -2.06 0.00 0.00 59.70 57.57 1u0e h MET 66 Cb 0.02 -0.17 -0.01 0.00 0.06 0.00 0.00 31.60 31.50 1u0e h MET 66 CO -0.08 0.87 0.01 -0.07 1.06 0.00 0.00 176.91 178.70 1u0e h LEU 67 N 1.02 0.40 -0.82 1.22 3.38 -0.77 -1.43 115.31 118.32 1u0e h LEU 67 Ca 0.23 -0.30 0.02 0.00 0.09 0.00 0.00 57.88 57.92 1u0e h LEU 67 Cb 0.23 -0.11 -0.04 0.00 0.09 0.00 0.00 40.66 40.83 1u0e h LEU 67 CO -0.02 0.60 0.53 0.58 0.09 0.00 0.00 178.44 180.23 1u0e h VAL 68 N 0.19 1.17 -0.91 1.22 2.07 -0.81 -1.90 116.25 117.29 1u0e h VAL 68 Ca 0.07 -0.37 0.04 0.00 0.82 0.00 0.00 66.70 67.26 1u0e h VAL 68 Cb 0.39 0.01 -0.05 0.00 -1.52 0.00 0.00 31.29 30.12 1u0e h VAL 68 CO 0.01 0.19 0.60 -0.33 0.02 0.00 0.00 177.57 178.06 1u0e h GLU 69 N 1.07 1.10 -0.52 1.57 4.39 -0.79 -1.98 114.58 119.41 1u0e h GLU 69 Ca 0.31 -0.07 -0.07 0.00 0.34 0.00 0.00 59.36 59.88 1u0e h GLU 69 Cb -0.06 -0.25 -0.02 0.00 -0.10 0.00 0.00 28.75 28.32 1u0e h GLU 69 CO -0.09 0.73 0.06 1.25 -1.16 0.00 0.00 179.01 179.80 1u0e h LEU 70 N 1.13 0.85 -0.53 1.33 5.85 -0.74 -0.89 115.31 122.32 1u0e h LEU 70 Ca 0.36 -0.27 -0.02 0.00 0.84 0.00 0.00 57.88 58.79 1u0e h LEU 70 Cb 0.03 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 40.81 1u0e h LEU 70 CO -0.11 0.91 0.26 0.00 -0.34 0.00 0.00 178.44 179.16 1u0e h ALA 71 N 0.97 0.69 -0.04 1.25 0.00 -0.91 0.45 119.26 121.67 1u0e h ALA 71 Ca 0.16 -0.12 0.02 0.00 0.00 0.00 0.00 54.91 54.96 1u0e h ALA 71 Cb 0.44 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.00 1u0e h ALA 71 CO 0.01 0.25 -0.05 0.87 0.00 0.00 0.00 179.25 180.34 1u0e h LYS 72 N 0.72 -0.06 0.00 0.00 1.57 -1.26 -2.13 116.57 115.40 1u0e h LYS 72 Ca 0.18 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.94 1u0e h LYS 72 Cb 0.11 0.01 -0.00 0.00 0.08 0.00 0.00 32.23 32.43 1u0e h LYS 72 CO -0.02 -0.04 -0.14 1.03 -0.57 0.00 0.00 179.45 179.71 1u0e h SER 73 N -0.06 0.00 -0.01 0.86 0.87 -0.81 -2.12 113.55 112.28 1u0e h SER 73 Ca 0.03 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.59 1u0e h SER 73 Cb 0.11 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.07 1u0e h SER 73 CO -0.08 0.14 -0.00 0.54 -0.53 0.00 0.00 176.83 176.90 1u0e n ARG 74 N -3.59 1.66 -2.35 2.24 5.12 0.12 -4.95 116.66 114.91 1u0e n ARG 74 Ca -0.01 -0.97 -0.04 0.00 -1.93 0.00 0.00 57.85 54.90 1u0e n ARG 74 Cb 0.28 -1.48 0.01 0.00 -1.16 0.00 0.00 32.46 30.10 1u0e n ARG 74 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1u0e n GLY 75 N 1.18 0.42 0.27 -0.13 0.00 -0.80 -4.76 105.19 101.37 1u0e n GLY 75 Ca 0.19 -0.63 -0.04 0.00 0.00 0.00 0.00 46.02 45.54 1u0e n GLY 75 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1u0e h VAL 76 N -0.22 1.11 -0.33 1.61 2.07 -1.61 -2.21 116.25 116.67 1u0e h VAL 76 Ca -0.10 -0.30 -0.11 0.00 0.82 0.00 0.00 66.70 67.01 1u0e h VAL 76 Cb 1.07 0.17 -0.01 0.00 -1.52 0.00 0.00 31.29 31.00 1u0e h VAL 76 CO 0.11 0.16 -0.24 -0.33 0.02 0.00 0.00 177.57 177.28 1u0e h GLU 77 N 0.86 0.74 -0.60 1.57 5.08 -1.91 -0.12 114.58 120.20 1u0e h GLU 77 Ca 0.27 -0.36 -0.08 0.00 -1.00 0.00 0.00 59.36 58.19 1u0e h GLU 77 Cb -0.00 -0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.22 1u0e h GLU 77 CO -0.10 0.98 0.06 0.00 -1.00 0.00 0.00 179.01 178.95 1u0e h ALA 78 N 0.75 0.96 -0.44 3.43 0.00 -1.96 -1.57 119.26 120.42 1u0e h ALA 78 Ca 0.06 -0.28 -0.07 0.00 0.00 0.00 0.00 54.91 54.62 1u0e h ALA 78 Cb 0.80 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.35 1u0e h ALA 78 CO 0.06 0.64 0.00 0.00 0.00 0.00 0.00 179.25 179.96 1u0e h ALA 79 N 1.11 0.59 0.02 0.00 0.00 -1.17 -1.60 119.26 118.21 1u0e h ALA 79 Ca 0.18 -0.27 0.02 0.00 0.00 0.00 0.00 54.91 54.84 1u0e h ALA 79 Cb 0.47 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.08 1u0e h ALA 79 CO 0.02 0.38 -0.11 -0.09 0.00 0.00 0.00 179.25 179.45 1u0e h ARG 80 N 0.61 -0.19 -1.00 0.00 2.43 -0.87 -1.05 114.38 114.32 1u0e h ARG 80 Ca 0.12 0.01 0.08 0.00 -0.81 0.00 0.00 59.98 59.39 1u0e h ARG 80 Cb 0.49 0.04 -0.07 0.00 -0.42 0.00 0.00 29.97 30.01 1u0e h ARG 80 CO 0.02 -0.13 0.64 -0.44 -1.51 0.00 0.00 179.97 178.55 1u0e h ASP 81 N -0.20 1.00 -0.59 -3.80 3.32 -1.21 -1.46 116.42 113.49 1u0e h ASP 81 Ca 0.03 0.02 -0.00 0.00 0.02 0.00 0.00 57.03 57.10 1u0e h ASP 81 Cb 0.24 -0.19 -0.03 0.00 0.22 0.00 0.00 39.33 39.57 1u0e h ASP 81 CO -0.09 0.61 0.35 0.78 -1.72 0.00 0.00 179.24 179.17 1u0e h ASN 82 N 1.12 0.71 -0.02 6.45 -0.26 -0.95 -0.78 115.58 121.85 1u0e h ASN 82 Ca 0.45 -0.07 0.03 0.00 -0.56 0.00 0.00 56.30 56.15 1u0e h ASN 82 Cb 0.25 -0.18 -0.04 0.00 -1.06 0.00 0.00 38.32 37.29 1u0e h ASN 82 CO -0.20 0.57 -0.23 -0.03 -1.06 0.00 0.00 177.43 176.48 1u0e h MET 83 N 0.80 -0.34 0.00 0.81 4.05 -0.59 -1.39 114.93 118.27 1u0e h MET 83 Ca 0.21 0.02 -0.03 0.00 -0.28 0.00 0.00 59.70 59.63 1u0e h MET 83 Cb -0.01 0.08 -0.00 0.00 -0.80 0.00 0.00 31.60 30.86 1u0e h MET 83 CO -0.04 -0.22 -0.13 0.74 0.23 0.00 0.00 176.91 177.49 1u0e h PHE 84 N -0.35 0.00 -0.08 1.39 -1.00 -0.88 -2.55 116.94 113.47 1u0e h PHE 84 Ca 0.07 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.85 1u0e h PHE 84 Cb 0.44 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.00 1u0e h PHE 84 CO -0.28 0.13 0.00 -1.13 -1.61 0.00 0.00 178.31 175.42 1u0e n SER 85 N -3.65 2.53 0.00 2.17 3.41 -0.34 -4.93 113.62 112.82 1u0e n SER 85 Ca -0.02 -1.83 0.00 0.00 -0.26 0.00 0.00 58.87 56.76 1u0e n SER 85 Cb 0.25 -0.04 0.00 0.00 -0.26 0.00 0.00 64.21 64.16 1u0e n SER 85 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1u0e n GLY 86 N 1.30 0.71 3.75 5.00 0.00 -0.96 -4.06 105.19 110.93 1u0e n GLY 86 Ca 0.16 -0.33 -0.37 0.00 0.00 0.00 0.00 46.02 45.49 1u0e n GLY 86 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1u0e s SER 87 N -2.30 5.17 -1.37 1.61 0.01 -0.54 -4.71 113.70 111.57 1u0e s SER 87 Ca 0.00 2.54 -0.12 0.00 1.31 0.00 0.00 55.95 59.68 1u0e s SER 87 Cb 0.00 -2.61 0.10 0.00 0.21 0.00 0.00 66.02 63.71 1u0e s SER 87 CO 0.00 -1.62 2.03 0.29 0.41 0.00 0.00 173.24 174.35 1u0e n LYS 88 N -1.40 3.21 0.02 12.44 5.02 -1.26 -4.15 118.16 132.03 1u0e n LYS 88 Ca 0.13 -3.06 0.14 0.00 -2.02 0.00 0.00 58.31 53.49 1u0e n LYS 88 Cb 0.48 -3.14 0.52 0.00 -0.02 0.00 0.00 35.03 32.86 1u0e n LYS 88 CO 0.00 0.00 0.00 0.44 -0.52 0.00 0.00 177.40 177.32 1u0e n ILE 89 N 4.43 0.12 -2.61 -0.18 -5.35 -1.14 -4.00 119.36 110.64 1u0e n ILE 89 Ca 0.46 -0.06 -0.43 0.00 -0.27 0.00 0.00 62.75 62.45 1u0e n ILE 89 Cb 0.38 -0.41 -0.01 0.00 -1.74 0.00 0.00 39.64 37.86 1u0e n ILE 89 CO 0.00 0.00 0.00 0.21 -1.76 0.00 0.00 176.55 175.00 1u0e s ASN 90 N -3.33 6.77 0.30 7.28 3.84 -0.84 -4.82 114.94 124.14 1u0e s ASN 90 Ca 0.13 -2.24 0.14 0.00 0.21 0.00 0.00 52.86 51.09 1u0e s ASN 90 Cb 0.17 -2.56 0.40 0.00 -0.55 0.00 0.00 41.25 38.71 1u0e s ASN 90 CO 0.57 -1.22 1.61 0.10 -2.79 0.00 0.00 177.10 175.37 1u0e h TYR 91 N 8.10 0.00 0.00 0.43 -0.00 -1.84 0.34 116.97 124.01 1u0e h TYR 91 Ca 0.37 0.00 -0.13 0.00 -0.00 0.00 0.00 58.73 58.98 1u0e h TYR 91 Cb 0.91 0.00 -0.02 0.00 -0.00 0.00 0.00 36.73 37.62 1u0e h TYR 91 CO 1.37 0.56 -0.60 1.79 -0.00 0.00 0.00 178.16 181.28 1u0e h THR 92 N 0.00 1.32 -0.01 -0.90 1.35 -1.93 -3.17 112.91 109.57 1u0e h THR 92 Ca -0.01 -2.11 0.00 0.00 -0.55 0.00 0.00 66.41 63.74 1u0e h THR 92 Cb 1.12 2.17 0.00 0.00 -1.73 0.00 0.00 68.15 69.71 1u0e h THR 92 CO 0.07 0.58 -0.37 -0.62 -0.25 0.00 0.00 175.52 174.93 1u0e n GLU 93 N -3.68 1.55 -3.58 4.72 1.02 -1.13 -5.01 120.64 114.53 1u0e n GLU 93 Ca -0.01 -0.87 -0.25 0.00 -0.02 0.00 0.00 57.16 56.01 1u0e n GLU 93 Cb 0.63 -1.33 0.03 0.00 -0.02 0.00 0.00 31.44 30.75 1u0e n GLU 93 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 1u0e n ASP 94 N -0.08 -5.73 -4.06 1.62 2.03 0.05 -5.02 116.55 105.35 1u0e n ASP 94 Ca 0.07 -0.85 -0.13 0.00 0.52 0.00 0.00 54.79 54.40 1u0e n ASP 94 Cb 0.38 -3.52 -0.12 0.00 -0.72 0.00 0.00 41.12 37.14 1u0e n ASP 94 CO 0.00 0.00 0.00 -0.13 -1.92 0.00 0.00 177.20 175.15 1u0e s ARG 95 N -5.28 0.54 1.03 -0.67 0.52 -0.81 -5.04 118.95 109.24 1u0e s ARG 95 Ca 0.33 -0.74 -0.13 0.00 -0.52 0.00 0.00 55.73 54.67 1u0e s ARG 95 Cb -0.11 -0.32 0.20 0.00 0.52 0.00 0.00 34.95 35.24 1u0e s ARG 95 CO 0.84 0.06 1.09 0.00 0.02 0.00 0.00 175.30 177.31 1u0e s ALA 96 N -1.32 0.83 -0.32 2.13 0.00 -1.26 -1.99 121.76 119.83 1u0e s ALA 96 Ca -0.09 -0.41 -0.02 0.00 0.00 0.00 0.00 51.96 51.44 1u0e s ALA 96 Cb -0.10 -3.10 0.11 0.00 0.00 0.00 0.00 23.12 20.03 1u0e s ALA 96 CO 0.00 -2.96 0.14 0.08 0.00 0.00 0.00 175.76 173.02 1u0e s VAL 97 N -2.96 0.50 -0.25 0.00 1.01 -1.26 -4.42 120.40 113.03 1u0e s VAL 97 Ca 0.66 -1.32 0.17 0.00 0.00 0.00 0.00 61.98 61.49 1u0e s VAL 97 Cb -0.18 -1.39 0.48 0.00 0.00 0.00 0.00 36.38 35.29 1u0e s VAL 97 CO 0.58 -0.75 1.15 0.18 0.00 0.00 0.00 175.10 176.25 1u0e n LEU 98 N 4.77 2.77 0.27 3.92 4.77 -0.37 -4.71 117.00 128.42 1u0e n LEU 98 Ca -0.01 -3.59 0.13 0.00 -0.03 0.00 0.00 56.01 52.51 1u0e n LEU 98 Cb 0.41 0.10 0.81 0.00 -2.33 0.00 0.00 43.42 42.41 1u0e n LEU 98 CO 0.10 1.39 1.11 1.12 -1.33 0.00 0.00 177.39 179.78 1u0e h HIS 99 N 2.24 0.00 0.00 -1.77 2.07 -1.87 -0.79 115.15 115.02 1u0e h HIS 99 Ca 0.04 0.00 -0.02 0.00 -2.85 0.00 0.00 60.37 57.54 1u0e h HIS 99 Cb 1.40 0.00 -0.00 0.00 2.57 0.00 0.00 27.41 31.38 1u0e h HIS 99 CO 0.61 0.00 -0.09 -0.39 -3.07 0.00 0.00 177.93 174.99 1u0e h VAL 100 N 0.00 0.58 -0.06 6.12 -1.51 -1.95 -2.25 116.25 117.18 1u0e h VAL 100 Ca 0.01 -0.40 -0.16 0.00 -1.23 0.00 0.00 66.70 64.93 1u0e h VAL 100 Cb 0.06 1.25 -0.01 0.00 -2.13 0.00 0.00 31.29 30.46 1u0e h VAL 100 CO -0.00 0.09 -0.65 0.00 -1.23 0.00 0.00 177.57 175.78 1u0e h ALA 101 N 1.91 0.77 -0.51 5.19 0.00 -1.51 -2.87 119.26 122.24 1u0e h ALA 101 Ca -0.00 -0.57 0.04 0.00 0.00 0.00 0.00 54.91 54.37 1u0e h ALA 101 Cb 0.25 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.93 1u0e h ALA 101 CO 0.01 0.76 0.34 -0.07 0.00 0.00 0.00 179.25 180.29 1u0e h LEU 102 N 0.18 0.49 -3.23 0.00 3.38 -1.38 -2.37 115.31 112.38 1u0e h LEU 102 Ca -0.01 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.95 1u0e h LEU 102 Cb 1.18 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.82 1u0e h LEU 102 CO 0.10 0.34 0.00 -2.11 0.09 0.00 0.00 178.44 176.86 1u0e n ARG 103 N -4.47 3.01 -2.26 1.13 0.00 -1.21 -4.93 116.66 107.94 1u0e n ARG 103 Ca 0.06 -2.77 -0.33 0.00 -0.00 0.00 0.00 57.85 54.80 1u0e n ARG 103 Cb 0.16 -1.80 -0.04 0.00 -0.00 0.00 0.00 32.46 30.78 1u0e n ARG 103 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.63 178.84 1u0e s ASN 104 N -1.77 5.69 0.50 2.89 3.04 -0.89 -4.35 114.94 120.04 1u0e s ASN 104 Ca 0.41 -1.87 0.26 0.00 0.04 0.00 0.00 52.86 51.69 1u0e s ASN 104 Cb 0.32 -2.58 1.29 0.00 -1.54 0.00 0.00 41.25 38.74 1u0e s ASN 104 CO 0.10 -2.37 2.00 0.03 -3.04 0.00 0.00 177.10 173.82 1u0e h ARG 105 N 9.09 0.00 0.00 0.43 2.47 -1.90 -2.05 114.38 122.42 1u0e h ARG 105 Ca 0.29 0.00 -0.03 0.00 -1.26 0.00 0.00 59.98 58.98 1u0e h ARG 105 Cb 0.92 0.00 -0.00 0.00 -1.65 0.00 0.00 29.97 29.24 1u0e h ARG 105 CO 1.31 0.16 -0.14 0.66 0.56 0.00 0.00 179.97 182.52 1u0e h SER 106 N 0.00 0.00 -0.48 7.04 4.64 -2.00 -3.47 113.55 119.29 1u0e h SER 106 Ca -0.00 0.00 -0.20 0.00 -0.47 0.00 0.00 61.79 61.11 1u0e h SER 106 Cb 0.44 0.00 -0.08 0.00 -0.31 0.00 0.00 62.40 62.45 1u0e h SER 106 CO 0.02 0.14 -0.19 0.59 -0.87 0.00 0.00 176.83 176.53 1u0e n ASN 107 N -3.34 -5.66 -4.70 4.97 3.02 -0.77 -4.98 115.26 103.79 1u0e n ASN 107 Ca -0.00 0.25 -0.43 0.00 -0.03 0.00 0.00 54.58 54.37 1u0e n ASN 107 Cb 0.36 -4.04 -0.01 0.00 -0.61 0.00 0.00 39.78 35.48 1u0e n ASN 107 CO 0.00 0.00 0.00 0.41 -2.62 0.00 0.00 177.26 175.05 1u0e n THR 108 N -2.23 1.82 -1.94 3.41 -1.04 -1.26 -4.89 114.28 108.15 1u0e n THR 108 Ca -0.10 -0.46 -0.41 0.00 -2.04 0.00 0.00 64.05 61.05 1u0e n THR 108 Cb 0.57 -1.62 -0.01 0.00 -1.82 0.00 0.00 70.33 67.45 1u0e n THR 108 CO 0.00 0.00 0.00 -2.84 -0.64 0.00 0.00 175.07 171.59 1u0e s PRO 109 N -1.65 4.21 -0.13 -2.82 0.02 -1.26 -4.93 135.00 128.43 1u0e s PRO 109 Ca 0.57 2.41 -0.01 0.00 0.02 0.00 0.00 61.00 63.99 1u0e s PRO 109 Cb -0.57 -3.00 0.03 0.00 0.02 0.00 0.00 34.50 30.99 1u0e s PRO 109 CO 0.60 -0.39 -0.05 0.42 -0.33 0.00 0.00 177.00 177.25 1u0e s ILE 110 N -1.13 0.97 -0.16 2.83 1.01 -1.26 -5.04 121.20 118.41 1u0e s ILE 110 Ca 0.51 -0.39 -0.08 0.00 0.00 0.00 0.00 60.65 60.68 1u0e s ILE 110 Cb -0.43 -1.09 -0.04 0.00 0.01 0.00 0.00 42.46 40.90 1u0e s ILE 110 CO 0.58 0.23 0.12 -0.54 0.00 0.00 0.00 174.94 175.34 1u0e s LYS 111 N 1.71 3.84 -0.14 2.79 1.02 -1.26 -0.86 119.74 126.85 1u0e s LYS 111 Ca 0.03 -0.20 0.02 0.00 0.02 0.00 0.00 55.97 55.84 1u0e s LYS 111 Cb -0.14 -3.29 0.01 0.00 -0.52 0.00 0.00 37.83 33.89 1u0e s LYS 111 CO -0.08 0.49 -0.21 0.08 -0.92 0.00 0.00 175.35 174.72 1u0e s VAL 112 N -0.21 2.15 -1.36 3.17 1.01 0.19 -4.39 120.40 120.95 1u0e s VAL 112 Ca 0.10 -0.95 -0.05 0.00 0.00 0.00 0.00 61.98 61.08 1u0e s VAL 112 Cb -0.12 -1.86 0.03 0.00 0.00 0.00 0.00 36.38 34.43 1u0e s VAL 112 CO 0.01 0.55 0.89 0.47 0.00 0.00 0.00 175.10 177.01 1u0e n ASP 113 N 4.03 -2.98 0.00 3.32 8.00 -1.26 -1.80 116.55 125.85 1u0e n ASP 113 Ca -0.20 -0.74 0.00 0.00 0.71 0.00 0.00 54.79 54.56 1u0e n ASP 113 Cb 0.52 -4.29 0.00 0.00 -0.02 0.00 0.00 41.12 37.33 1u0e n ASP 113 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1u0e n GLY 114 N -1.60 0.25 3.07 0.44 0.00 -1.26 -4.99 105.19 101.10 1u0e n GLY 114 Ca -0.16 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.58 1u0e n GLY 114 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1u0e s LYS 115 N -1.01 2.13 0.16 1.61 2.20 -0.75 -5.03 119.74 119.06 1u0e s LYS 115 Ca 0.00 -0.55 -0.32 0.00 -0.36 0.00 0.00 55.97 54.74 1u0e s LYS 115 Cb 0.00 -1.73 -0.11 0.00 -1.51 0.00 0.00 37.83 34.48 1u0e s LYS 115 CO 0.00 0.03 1.70 0.34 -0.36 0.00 0.00 175.35 177.06 1u0e s ASP 116 N 0.69 6.47 0.18 1.43 2.15 -1.26 -0.64 116.67 125.69 1u0e s ASP 116 Ca -0.13 2.73 0.24 0.00 0.43 0.00 0.00 52.55 55.82 1u0e s ASP 116 Cb -0.16 -2.59 0.35 0.00 -0.30 0.00 0.00 42.92 40.22 1u0e s ASP 116 CO 0.03 -0.93 1.37 -0.37 -0.17 0.00 0.00 175.17 175.10 1u0e h VAL 117 N 4.17 0.00 -0.54 1.11 -1.51 -1.37 -3.40 116.25 114.71 1u0e h VAL 117 Ca -0.43 -0.63 -0.01 0.00 -1.23 0.00 0.00 66.70 64.39 1u0e h VAL 117 Cb 1.21 1.29 -0.03 0.00 -2.13 0.00 0.00 31.29 31.63 1u0e h VAL 117 CO 0.94 0.00 0.28 0.24 -1.23 0.00 0.00 177.57 177.80 1u0e h MET 118 N 0.00 0.76 -0.64 5.19 2.86 -1.91 -1.84 114.93 119.35 1u0e h MET 118 Ca 0.00 -0.10 0.12 0.00 -2.06 0.00 0.00 59.70 57.66 1u0e h MET 118 Cb 0.81 -0.14 -0.09 0.00 0.06 0.00 0.00 31.60 32.24 1u0e h MET 118 CO 0.00 0.61 0.19 -1.35 1.06 0.00 0.00 176.91 177.42 1u0e h PRO 119 N 0.73 0.33 -0.31 -0.22 0.11 -1.97 -0.63 132.00 130.03 1u0e h PRO 119 Ca 0.19 -0.02 -0.14 0.00 0.11 0.00 0.00 66.00 66.13 1u0e h PRO 119 Cb 0.08 -0.07 -0.01 0.00 0.11 0.00 0.00 31.00 31.11 1u0e h PRO 119 CO -0.03 0.22 -0.39 0.93 -0.21 0.00 0.00 178.00 178.52 1u0e h GLU 120 N 0.34 0.74 -0.21 1.05 4.39 -1.73 -0.78 114.58 118.38 1u0e h GLU 120 Ca 0.34 -0.38 0.04 0.00 0.34 0.00 0.00 59.36 59.70 1u0e h GLU 120 Cb 0.49 0.01 -0.04 0.00 -0.10 0.00 0.00 28.75 29.11 1u0e h GLU 120 CO -0.38 1.00 -0.06 0.28 -1.16 0.00 0.00 179.01 178.68 1u0e h VAL 121 N 0.61 0.77 -0.25 3.13 2.07 -1.02 -2.06 116.25 119.50 1u0e h VAL 121 Ca 0.05 0.00 -0.11 0.00 0.82 0.00 0.00 66.70 67.46 1u0e h VAL 121 Cb 0.93 0.77 -0.01 0.00 -1.52 0.00 0.00 31.29 31.46 1u0e h VAL 121 CO 0.09 0.00 -0.32 0.78 0.02 0.00 0.00 177.57 178.13 1u0e h ASN 122 N -0.02 0.53 -0.39 0.57 2.35 -1.02 -1.72 115.58 115.88 1u0e h ASN 122 Ca 0.10 -0.21 0.03 0.00 -0.55 0.00 0.00 56.30 55.67 1u0e h ASN 122 Cb 0.17 -0.15 -0.03 0.00 0.05 0.00 0.00 38.32 38.36 1u0e h ASN 122 CO -0.22 0.82 0.21 -0.09 -1.65 0.00 0.00 177.43 176.50 1u0e h ARG 123 N 0.45 0.41 -0.50 0.81 2.43 -0.97 0.10 114.38 117.09 1u0e h ARG 123 Ca 0.05 -0.02 -0.07 0.00 -0.81 0.00 0.00 59.98 59.12 1u0e h ARG 123 Cb 0.78 -0.09 -0.02 0.00 -0.42 0.00 0.00 29.97 30.22 1u0e h ARG 123 CO 0.06 0.27 0.02 0.28 -1.51 0.00 0.00 179.97 179.09 1u0e h VAL 124 N 0.42 1.26 -0.79 0.20 2.07 -1.11 -1.92 116.25 116.38 1u0e h VAL 124 Ca 0.16 -1.04 0.05 0.00 0.82 0.00 0.00 66.70 66.70 1u0e h VAL 124 Cb 0.06 0.95 -0.06 0.00 -1.52 0.00 0.00 31.29 30.72 1u0e h VAL 124 CO -0.11 0.37 0.48 -0.07 0.02 0.00 0.00 177.57 178.27 1u0e h LEU 125 N 0.74 0.76 -0.93 2.57 3.38 -1.09 0.45 115.31 121.19 1u0e h LEU 125 Ca 0.14 0.01 -0.03 0.00 0.09 0.00 0.00 57.88 58.10 1u0e h LEU 125 Cb 0.49 -0.14 -0.04 0.00 0.09 0.00 0.00 40.66 41.05 1u0e h LEU 125 CO 0.02 0.50 0.40 0.44 0.09 0.00 0.00 178.44 179.89 1u0e h ASP 126 N 0.90 1.06 -0.53 -0.43 3.32 -0.75 -0.03 116.42 119.96 1u0e h ASP 126 Ca 0.34 -0.12 -0.11 0.00 0.02 0.00 0.00 57.03 57.16 1u0e h ASP 126 Cb 0.13 -0.27 -0.02 0.00 0.22 0.00 0.00 39.33 39.39 1u0e h ASP 126 CO -0.16 0.88 -0.08 0.11 -1.72 0.00 0.00 179.24 178.28 1u0e h LYS 127 N 1.16 0.99 -0.49 3.56 1.57 -0.53 -1.62 116.57 121.22 1u0e h LYS 127 Ca 0.28 -0.36 0.02 0.00 -1.87 0.00 0.00 60.65 58.73 1u0e h LYS 127 Cb 0.10 -0.07 -0.03 0.00 0.08 0.00 0.00 32.23 32.31 1u0e h LYS 127 CO -0.04 1.03 0.30 0.52 -0.57 0.00 0.00 179.45 180.69 1u0e h MET 128 N 0.86 0.58 -0.04 3.15 2.86 -0.53 -0.77 114.93 121.04 1u0e h MET 128 Ca 0.14 -0.04 0.01 0.00 -2.06 0.00 0.00 59.70 57.75 1u0e h MET 128 Cb 0.64 -0.13 -0.01 0.00 0.06 0.00 0.00 31.60 32.16 1u0e h MET 128 CO 0.04 0.39 0.00 -0.22 1.06 0.00 0.00 176.91 178.18 1u0e h LYS 129 N 0.60 0.02 -0.28 1.72 3.64 -0.82 -0.51 116.57 120.93 1u0e h LYS 129 Ca 0.19 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.57 1u0e h LYS 129 Cb -0.00 -0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 31.80 1u0e h LYS 129 CO -0.08 0.01 0.18 1.03 -2.27 0.00 0.00 179.45 178.33 1u0e h SER 130 N 0.02 0.33 -0.49 4.20 0.87 -1.19 -2.12 113.55 115.18 1u0e h SER 130 Ca 0.02 -0.02 -0.01 0.00 -1.23 0.00 0.00 61.79 60.54 1u0e h SER 130 Cb 0.02 -0.08 -0.02 0.00 -0.44 0.00 0.00 62.40 61.87 1u0e h SER 130 CO -0.03 0.25 0.25 0.15 -0.53 0.00 0.00 176.83 176.93 1u0e h PHE 131 N 0.38 0.69 -0.73 2.24 3.57 -0.91 -2.34 116.94 119.84 1u0e h PHE 131 Ca 0.10 -0.02 0.01 0.00 3.53 0.00 0.00 57.97 61.58 1u0e h PHE 131 Cb -0.03 -0.22 -0.04 0.00 2.79 0.00 0.00 35.95 38.46 1u0e h PHE 131 CO -0.05 0.53 0.48 0.00 -2.23 0.00 0.00 178.31 177.03 1u0e h GLN 133 N 0.99 0.44 -0.56 0.00 -0.00 -1.22 0.60 115.11 115.36 1u0e h GLN 133 Ca 0.27 -0.03 -0.03 0.00 -0.00 0.00 0.00 58.65 58.86 1u0e h GLN 133 Cb -0.10 -0.10 -0.02 0.00 0.00 0.00 0.00 27.48 27.26 1u0e h GLN 133 CO -0.06 0.29 0.23 0.00 0.00 0.00 0.00 178.83 179.29 1u0e h ARG 134 N 0.45 0.83 0.09 1.69 3.08 -0.85 -1.78 114.38 117.89 1u0e h ARG 134 Ca 0.19 -0.15 -0.00 0.00 0.07 0.00 0.00 59.98 60.08 1u0e h ARG 134 Cb 0.08 -0.14 0.00 0.00 0.08 0.00 0.00 29.97 30.00 1u0e h ARG 134 CO -0.13 0.72 -0.04 0.28 -1.07 0.00 0.00 179.97 179.73 1u0e h VAL 135 N 0.76 1.17 -0.03 2.04 2.07 -1.02 0.20 116.25 121.44 1u0e h VAL 135 Ca 0.19 -1.25 -0.08 0.00 0.82 0.00 0.00 66.70 66.38 1u0e h VAL 135 Cb 0.19 1.93 -0.01 0.00 -1.52 0.00 0.00 31.29 31.88 1u0e h VAL 135 CO -0.02 0.29 -0.38 0.03 0.02 0.00 0.00 177.57 177.52 1u0e h ARG 136 N -0.72 0.05 0.00 1.57 3.08 -0.91 -2.14 114.38 115.31 1u0e h ARG 136 Ca -0.01 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.02 1u0e h ARG 136 Cb 0.56 -0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.61 1u0e h ARG 136 CO 0.02 0.42 0.00 0.66 -1.07 0.00 0.00 179.97 180.00 1u0e h SER 137 N 0.04 0.00 0.00 7.04 4.64 -1.44 -3.47 113.55 120.37 1u0e h SER 137 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1u0e h SER 137 Cb 0.69 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.78 1u0e h SER 137 CO 0.05 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.62 1u0e n GLY 138 N 0.12 0.83 0.19 -0.77 0.00 -0.81 -4.97 105.19 99.79 1u0e n GLY 138 Ca 0.02 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.93 1u0e n GLY 138 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1u0e h ASP 139 N 0.00 0.58 -2.56 1.61 3.45 -1.63 -3.42 116.42 114.45 1u0e h ASP 139 Ca 0.00 -0.32 -0.54 0.00 0.43 0.00 0.00 57.03 56.60 1u0e h ASP 139 Cb 0.00 -0.16 0.00 0.00 -0.56 0.00 0.00 39.33 38.62 1u0e h ASP 139 CO 0.00 0.76 1.11 0.86 -1.57 0.00 0.00 179.24 180.40 1u0e s TRP 140 N -4.95 1.86 0.07 4.55 -0.11 0.00 -4.99 118.94 115.37 1u0e s TRP 140 Ca -0.13 0.05 0.04 0.00 1.22 0.00 0.00 56.10 57.28 1u0e s TRP 140 Cb 0.09 -4.00 -0.04 0.00 -1.50 0.00 0.00 33.47 28.02 1u0e s TRP 140 CO 0.77 -4.26 -0.02 0.15 -4.62 0.00 0.00 176.95 168.98 1u0e s LYS 141 N 3.99 2.53 0.42 5.86 -0.14 -1.26 -3.76 119.74 127.38 1u0e s LYS 141 Ca 0.77 -0.82 -0.06 0.00 -1.36 0.00 0.00 55.97 54.50 1u0e s LYS 141 Cb -0.36 -2.53 0.09 0.00 -1.68 0.00 0.00 37.83 33.36 1u0e s LYS 141 CO 0.33 0.55 0.57 0.41 -0.76 0.00 0.00 175.35 176.45 1u0e n GLY 142 N 0.78 -1.04 0.19 -3.33 0.00 0.17 -4.87 105.19 97.09 1u0e n GLY 142 Ca -0.12 -1.73 0.14 0.00 0.00 0.00 0.00 46.02 44.31 1u0e n GLY 142 CO 0.00 0.00 0.00 0.10 0.00 0.00 0.00 173.32 173.42 1u0e h TYR 143 N -1.23 0.00 -0.57 1.61 -0.00 -1.89 -1.29 116.97 113.60 1u0e h TYR 143 Ca -0.18 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.55 1u0e h TYR 143 Cb 0.53 0.00 0.00 0.00 0.00 0.00 0.00 36.73 37.26 1u0e h TYR 143 CO 0.00 0.00 0.00 0.25 -0.00 0.00 0.00 178.16 178.41 1u0e n THR 144 N -2.56 0.97 -0.61 -0.90 -2.24 -1.26 -4.98 114.28 102.71 1u0e n THR 144 Ca 0.01 -0.99 0.00 0.00 -2.27 0.00 0.00 64.05 60.81 1u0e n THR 144 Cb 0.24 0.52 0.00 0.00 -2.10 0.00 0.00 70.33 69.00 1u0e n THR 144 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1u0e n GLY 145 N 1.22 0.64 3.82 3.38 0.00 -0.48 -5.08 105.19 108.69 1u0e n GLY 145 Ca 0.19 -0.51 -0.33 0.00 0.00 0.00 0.00 46.02 45.37 1u0e n GLY 145 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1u0e s LYS 146 N -1.02 3.18 0.75 1.61 1.02 -1.26 -4.80 119.74 119.21 1u0e s LYS 146 Ca 0.00 -0.45 -0.14 0.00 0.02 0.00 0.00 55.97 55.40 1u0e s LYS 146 Cb 0.00 -2.93 0.05 0.00 -0.52 0.00 0.00 37.83 34.44 1u0e s LYS 146 CO 0.00 0.65 1.20 -1.12 -0.92 0.00 0.00 175.35 175.15 1u0e s SER 147 N -1.87 4.05 0.05 2.83 0.01 -1.26 -0.65 113.70 116.85 1u0e s SER 147 Ca 0.25 2.32 -0.30 0.00 1.31 0.00 0.00 55.95 59.53 1u0e s SER 147 Cb -0.12 -2.58 -0.04 0.00 0.21 0.00 0.00 66.02 63.48 1u0e s SER 147 CO 0.16 -2.36 0.97 -0.63 0.41 0.00 0.00 173.24 171.80 1u0e s ILE 148 N -2.10 4.70 -0.02 1.44 -1.09 -1.25 -4.74 121.20 118.15 1u0e s ILE 148 Ca 0.73 2.06 0.11 0.00 -2.23 0.00 0.00 60.65 61.32 1u0e s ILE 148 Cb -0.28 -4.32 -0.16 0.00 -1.58 0.00 0.00 42.46 36.12 1u0e s ILE 148 CO 0.47 0.23 0.23 0.35 -1.23 0.00 0.00 174.94 174.99 1u0e n THR 149 N 3.39 0.00 -4.02 2.92 -2.24 -0.09 -4.89 114.28 109.36 1u0e n THR 149 Ca 0.04 -0.24 -0.17 0.00 -2.27 0.00 0.00 64.05 61.41 1u0e n THR 149 Cb 0.50 0.27 -0.16 0.00 -2.10 0.00 0.00 70.33 68.84 1u0e n THR 149 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1u0e s ASP 150 N -3.20 0.52 -0.14 3.42 1.11 -1.04 -1.87 116.67 115.48 1u0e s ASP 150 Ca -0.04 -0.06 -0.03 0.00 0.18 0.00 0.00 52.55 52.61 1u0e s ASP 150 Cb 0.07 -0.23 -0.03 0.00 1.07 0.00 0.00 42.92 43.80 1u0e s ASP 150 CO 0.43 -0.05 -0.05 -0.63 1.18 0.00 0.00 175.17 176.05 1u0e s ILE 151 N 0.73 3.79 -0.25 0.77 -1.09 0.35 -0.73 121.20 124.76 1u0e s ILE 151 Ca -0.08 -0.40 0.02 0.00 -2.23 0.00 0.00 60.65 57.96 1u0e s ILE 151 Cb -0.11 -2.63 0.06 0.00 -1.58 0.00 0.00 42.46 38.19 1u0e s ILE 151 CO -0.01 0.51 -0.10 -0.63 -1.23 0.00 0.00 174.94 173.49 1u0e s ILE 152 N 0.16 1.96 -0.15 2.92 1.09 0.91 -0.61 121.20 127.49 1u0e s ILE 152 Ca -0.02 -1.46 -0.27 0.00 -1.10 0.00 0.00 60.65 57.79 1u0e s ILE 152 Cb -0.14 -2.10 -0.01 0.00 -1.06 0.00 0.00 42.46 39.15 1u0e s ILE 152 CO 0.03 -0.02 0.92 0.21 -0.10 0.00 0.00 174.94 175.98 1u0e s ASN 153 N 1.21 7.09 -0.19 3.58 2.47 0.27 -0.41 114.94 128.95 1u0e s ASN 153 Ca -0.07 1.34 -0.02 0.00 0.42 0.00 0.00 52.86 54.52 1u0e s ASN 153 Cb -0.19 -2.50 -0.01 0.00 -1.45 0.00 0.00 41.25 37.10 1u0e s ASN 153 CO -0.06 -0.44 -0.08 -0.63 -3.72 0.00 0.00 177.10 172.17 1u0e s ILE 154 N 2.18 3.19 0.00 -5.21 1.01 0.46 -0.55 121.20 122.27 1u0e s ILE 154 Ca 0.43 -0.57 0.00 0.00 0.00 0.00 0.00 60.65 60.51 1u0e s ILE 154 Cb -0.17 -2.41 0.00 0.00 0.01 0.00 0.00 42.46 39.88 1u0e s ILE 154 CO 0.14 0.46 0.00 0.61 0.00 0.00 0.00 174.94 176.15 1u0e n GLY 155 N 4.40 1.31 3.04 6.18 0.00 -0.75 -0.90 105.19 118.47 1u0e n GLY 155 Ca -0.18 -0.87 -0.09 0.00 0.00 0.00 0.00 46.02 44.87 1u0e n GLY 155 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1u0e s ILE 156 N -2.00 0.13 0.00 -0.61 2.07 -1.26 -3.84 121.20 115.68 1u0e s ILE 156 Ca 0.00 -1.07 0.00 0.00 -1.41 0.00 0.00 60.65 58.17 1u0e s ILE 156 Cb 0.00 -0.60 0.00 0.00 0.13 0.00 0.00 42.46 41.99 1u0e s ILE 156 CO 0.00 -0.59 0.00 0.61 -1.91 0.00 0.00 174.94 173.05 1u0e n GLY 157 N 1.19 4.03 0.29 1.50 0.00 -1.26 -2.11 105.19 108.83 1u0e n GLY 157 Ca -0.21 0.16 0.16 0.00 0.00 0.00 0.00 46.02 46.13 1u0e n GLY 157 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1u0e h GLY 158 N 0.00 0.00 -1.17 -0.02 0.00 -1.98 0.96 103.07 100.86 1u0e h GLY 158 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1u0e h GLY 158 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 176.54 177.98 1u0e n SER 159 N -3.43 1.91 0.03 0.19 7.64 -0.90 -4.49 113.62 114.57 1u0e n SER 159 Ca -0.02 -1.88 0.00 0.00 1.01 0.00 0.00 58.87 57.99 1u0e n SER 159 Cb 0.19 -0.19 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 1u0e n SER 159 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 1u0e n ASP 160 N 0.51 0.05 -0.30 6.43 2.03 -0.35 -4.36 116.55 120.56 1u0e n ASP 160 Ca 0.14 0.11 -0.05 0.00 0.52 0.00 0.00 54.79 55.51 1u0e n ASP 160 Cb 0.33 0.06 0.07 0.00 -0.72 0.00 0.00 41.12 40.86 1u0e n ASP 160 CO 0.00 0.00 0.00 -0.07 -1.92 0.00 0.00 177.20 175.21 1u0e h LEU 161 N 0.00 1.09 0.65 -2.67 3.38 -1.11 -0.66 115.31 115.99 1u0e h LEU 161 Ca 0.00 -0.14 -0.03 0.00 0.09 0.00 0.00 57.88 57.79 1u0e h LEU 161 Cb 0.21 -0.28 0.01 0.00 0.09 0.00 0.00 40.66 40.69 1u0e h LEU 161 CO 0.00 0.93 -0.31 1.23 0.09 0.00 0.00 178.44 180.38 1u0e h GLY 162 N 1.18 -0.92 0.46 0.83 0.00 -1.79 0.43 103.07 103.26 1u0e h GLY 162 Ca 0.28 0.34 0.10 0.00 0.00 0.00 0.00 47.33 48.05 1u0e h GLY 162 CO -0.03 -0.33 0.41 -2.55 0.00 0.00 0.00 176.54 174.03 1u0e h PRO 163 N -1.14 0.66 0.26 4.80 0.11 -1.86 -0.02 132.00 134.81 1u0e h PRO 163 Ca -0.09 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 65.97 1u0e h PRO 163 Cb 0.71 -0.15 0.00 0.00 0.11 0.00 0.00 31.00 31.67 1u0e h PRO 163 CO 0.15 0.43 -0.13 1.25 -0.21 0.00 0.00 178.00 179.50 1u0e h LEU 164 N 0.68 -0.30 -0.99 2.35 6.46 -1.12 -1.39 115.31 121.00 1u0e h LEU 164 Ca 0.38 -0.08 -0.01 0.00 -0.12 0.00 0.00 57.88 58.05 1u0e h LEU 164 Cb 0.40 0.08 -0.04 0.00 -0.73 0.00 0.00 40.66 40.37 1u0e h LEU 164 CO -0.27 -0.10 0.49 -0.03 -0.62 0.00 0.00 178.44 177.91 1u0e h MET 165 N -0.48 1.20 -0.11 1.25 4.05 -0.54 -1.62 114.93 118.69 1u0e h MET 165 Ca -0.04 -0.13 -0.10 0.00 -0.28 0.00 0.00 59.70 59.15 1u0e h MET 165 Cb 0.36 -0.24 0.00 0.00 -0.80 0.00 0.00 31.60 30.92 1u0e h MET 165 CO 0.06 0.86 -0.33 0.28 0.23 0.00 0.00 176.91 178.01 1u0e h VAL 166 N 1.21 1.39 -0.53 -5.77 2.07 -0.96 -0.57 116.25 113.09 1u0e h VAL 166 Ca 0.31 -1.66 -0.04 0.00 0.82 0.00 0.00 66.70 66.13 1u0e h VAL 166 Cb -0.00 2.16 -0.03 0.00 -1.52 0.00 0.00 31.29 31.91 1u0e h VAL 166 CO -0.05 0.49 0.17 0.71 0.02 0.00 0.00 177.57 178.90 1u0e h THR 167 N -0.02 1.21 -0.28 2.57 1.35 -1.18 0.25 112.91 116.81 1u0e h THR 167 Ca -0.01 -0.71 -0.01 0.00 -0.55 0.00 0.00 66.41 65.13 1u0e h THR 167 Cb 0.96 0.63 -0.01 0.00 -1.73 0.00 0.00 68.15 67.99 1u0e h THR 167 CO 0.07 0.27 0.14 -0.33 -0.25 0.00 0.00 175.52 175.42 1u0e h GLU 168 N 0.76 0.40 -0.06 4.72 4.39 -1.22 -2.13 114.58 121.44 1u0e h GLU 168 Ca 0.18 -0.05 -0.10 0.00 0.34 0.00 0.00 59.36 59.73 1u0e h GLU 168 Cb 0.22 -0.07 -0.01 0.00 -0.10 0.00 0.00 28.75 28.79 1u0e h GLU 168 CO -0.01 0.37 -0.41 0.00 -1.16 0.00 0.00 179.01 177.80 1u0e h ALA 169 N 1.01 1.21 -0.43 3.43 0.00 -0.68 -3.12 119.26 120.68 1u0e h ALA 169 Ca 0.10 -0.40 -0.04 0.00 0.00 0.00 0.00 54.91 54.57 1u0e h ALA 169 Cb 0.10 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 1u0e h ALA 169 CO -0.01 0.56 0.03 1.28 0.00 0.00 0.00 179.25 181.11 1u0e n LEU 170 N -4.04 4.79 -0.32 0.00 4.77 0.04 -4.75 117.00 117.49 1u0e n LEU 170 Ca -0.02 -3.07 0.14 0.00 -0.03 0.00 0.00 56.01 53.03 1u0e n LEU 170 Cb 0.46 -0.62 0.33 0.00 -2.33 0.00 0.00 43.42 41.26 1u0e n LEU 170 CO 0.41 0.71 1.11 0.50 -1.33 0.00 0.00 177.39 178.79 1u0e h LYS 171 N 2.55 0.52 0.00 3.23 1.63 -1.31 0.66 116.57 123.85 1u0e h LYS 171 Ca 0.05 -0.03 0.00 0.00 -0.85 0.00 0.00 60.65 59.82 1u0e h LYS 171 Cb 1.75 -0.12 0.00 0.00 -0.60 0.00 0.00 32.23 33.27 1u0e h LYS 171 CO 0.39 0.34 0.00 -1.35 -3.45 0.00 0.00 179.45 175.38 1u0e h PRO 172 N 0.54 0.00 -0.30 1.90 0.11 -1.88 -2.27 132.00 130.09 1u0e h PRO 172 Ca 0.58 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.69 1u0e h PRO 172 Cb 1.06 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.17 1u0e h PRO 172 CO -0.47 0.00 0.00 0.66 -0.21 0.00 0.00 178.00 177.98 1u0e n TYR 173 N -2.74 0.39 -0.52 0.65 4.02 0.22 -4.25 117.16 114.94 1u0e n TYR 173 Ca -0.02 -0.20 0.10 0.00 -0.01 0.00 0.00 57.90 57.77 1u0e n TYR 173 Cb 0.07 0.00 0.32 0.00 -0.02 0.00 0.00 39.34 39.71 1u0e n TYR 173 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 176.86 174.72 1u0e n SER 174 N 0.72 4.26 -4.75 7.72 3.41 -0.85 -4.50 113.62 119.62 1u0e n SER 174 Ca 0.16 -2.29 -0.41 0.00 -0.26 0.00 0.00 58.87 56.07 1u0e n SER 174 Cb 0.40 -0.51 -0.02 0.00 -0.26 0.00 0.00 64.21 63.83 1u0e n SER 174 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 1u0e s LYS 175 N -1.54 4.22 0.00 4.33 1.02 -1.26 -0.99 119.74 125.52 1u0e s LYS 175 Ca 0.47 2.39 0.00 0.00 0.02 0.00 0.00 55.97 58.85 1u0e s LYS 175 Cb 0.28 -3.07 0.00 0.00 -0.52 0.00 0.00 37.83 34.53 1u0e s LYS 175 CO 0.25 -0.46 0.00 0.41 -0.92 0.00 0.00 175.35 174.64 1u0e n GLY 176 N 1.81 2.73 3.91 -3.33 0.00 -1.26 -5.01 105.19 104.04 1u0e n GLY 176 Ca 0.06 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.80 1u0e n GLY 176 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1u0e s GLY 177 N -1.78 1.63 0.68 -0.02 0.00 -0.16 -5.04 107.32 102.63 1u0e s GLY 177 Ca 0.00 -0.64 -0.13 0.00 0.00 0.00 0.00 44.72 43.95 1u0e s GLY 177 CO 0.00 -0.29 1.08 2.56 0.00 0.00 0.00 173.10 176.45 1u0e s PRO 178 N -5.19 2.86 0.52 2.90 0.04 -1.26 -5.01 135.00 129.86 1u0e s PRO 178 Ca 0.57 1.17 -0.21 0.00 0.04 0.00 0.00 61.00 62.56 1u0e s PRO 178 Cb -0.11 -1.97 -0.06 0.00 0.04 0.00 0.00 34.50 32.40 1u0e s PRO 178 CO 0.47 -1.18 1.22 1.03 0.04 0.00 0.00 177.00 178.58 1u0e s ARG 179 N -4.53 3.40 -0.02 4.56 0.52 -0.78 -4.74 118.95 117.36 1u0e s ARG 179 Ca 0.62 1.88 0.07 0.00 -0.52 0.00 0.00 55.73 57.78 1u0e s ARG 179 Cb -0.17 -2.23 -0.02 0.00 0.52 0.00 0.00 34.95 33.06 1u0e s ARG 179 CO 0.47 -0.87 -0.23 0.08 0.02 0.00 0.00 175.30 174.77 1u0e s VAL 180 N -1.52 1.81 0.05 3.52 1.01 -1.26 -0.50 120.40 123.51 1u0e s VAL 180 Ca 0.69 -0.98 0.06 0.00 0.00 0.00 0.00 61.98 61.76 1u0e s VAL 180 Cb -0.31 -1.51 -0.02 0.00 0.00 0.00 0.00 36.38 34.54 1u0e s VAL 180 CO 0.37 0.51 -0.17 0.26 0.00 0.00 0.00 175.10 176.06 1u0e s TRP 181 N -0.52 1.52 -0.18 5.22 0.52 0.22 -4.96 118.94 120.77 1u0e s TRP 181 Ca 0.08 -0.37 0.01 0.00 0.02 0.00 0.00 56.10 55.84 1u0e s TRP 181 Cb -0.09 -0.89 0.02 0.00 -1.15 0.00 0.00 33.47 31.36 1u0e s TRP 181 CO -0.01 0.08 -0.18 -0.06 0.02 0.00 0.00 176.95 176.80 1u0e s PHE 182 N -0.87 2.63 -0.14 -1.98 0.40 -1.26 -0.56 117.98 116.19 1u0e s PHE 182 Ca 0.04 -1.57 -0.02 0.00 -0.60 0.00 0.00 56.93 54.79 1u0e s PHE 182 Cb -0.08 -1.83 -0.02 0.00 0.51 0.00 0.00 43.02 41.60 1u0e s PHE 182 CO 0.02 -0.78 -0.09 0.08 0.70 0.00 0.00 175.22 175.15 1u0e s VAL 183 N 1.34 3.39 0.00 -0.44 1.01 0.28 -4.97 120.40 121.01 1u0e s VAL 183 Ca 0.04 -0.54 0.00 0.00 0.00 0.00 0.00 61.98 61.49 1u0e s VAL 183 Cb -0.13 -2.46 0.00 0.00 0.00 0.00 0.00 36.38 33.79 1u0e s VAL 183 CO -0.12 0.51 0.00 -1.54 0.00 0.00 0.00 175.10 173.95 1u0e n SER 184 N 3.60 0.00 -4.77 3.32 3.41 -1.25 -1.80 113.62 116.13 1u0e n SER 184 Ca -0.18 0.00 -0.40 0.00 -0.26 0.00 0.00 58.87 58.03 1u0e n SER 184 Cb 0.52 0.05 0.01 0.00 -0.26 0.00 0.00 64.21 64.53 1u0e n SER 184 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 175.04 175.09 1u0e s ASN 185 N -4.54 6.13 0.42 4.04 3.84 -1.26 -4.65 114.94 118.92 1u0e s ASN 185 Ca 0.00 2.89 0.15 0.00 0.21 0.00 0.00 52.86 56.11 1u0e s ASN 185 Cb 0.00 -2.65 0.92 0.00 -0.55 0.00 0.00 41.25 38.96 1u0e s ASN 185 CO 0.00 -1.00 1.93 -0.29 -2.79 0.00 0.00 177.10 174.94 1u0e h ILE 186 N 2.54 1.14 -1.05 -5.21 6.09 -1.98 -3.44 117.51 115.60 1u0e h ILE 186 Ca -0.50 -0.89 -0.77 0.00 -1.37 0.00 0.00 64.86 61.32 1u0e h ILE 186 Cb 1.25 1.49 -0.00 0.00 0.47 0.00 0.00 36.82 40.03 1u0e h ILE 186 CO 0.62 0.25 1.01 -0.67 -3.07 0.00 0.00 178.15 176.29 1u0e n ASP 187 N -4.17 1.76 0.21 2.19 4.64 -1.26 -4.77 116.55 115.14 1u0e n ASP 187 Ca -0.02 0.93 0.17 0.00 -1.38 0.00 0.00 54.79 54.49 1u0e n ASP 187 Cb 0.31 -1.05 0.83 0.00 -1.04 0.00 0.00 41.12 40.18 1u0e n ASP 187 CO 0.00 0.00 0.00 1.23 -0.82 0.00 0.00 177.20 177.61 1u0e h GLY 188 N 7.78 0.00 -0.43 0.27 0.00 -2.02 0.03 103.07 108.69 1u0e h GLY 188 Ca -0.36 0.00 0.26 0.00 0.00 0.00 0.00 47.33 47.23 1u0e h GLY 188 CO 1.00 0.00 0.37 -0.84 0.00 0.00 0.00 176.54 177.07 1u0e h THR 189 N 0.00 0.34 0.46 4.70 2.02 -1.94 -0.24 112.91 118.25 1u0e h THR 189 Ca 0.09 -0.10 -0.02 0.00 0.77 0.00 0.00 66.41 67.15 1u0e h THR 189 Cb 0.52 0.03 0.00 0.00 -1.74 0.00 0.00 68.15 66.96 1u0e h THR 189 CO -0.00 0.05 -0.22 -0.74 0.37 0.00 0.00 175.52 174.98 1u0e h HIS 190 N 0.28 -0.58 -0.19 3.16 2.76 -1.28 -1.10 115.15 118.21 1u0e h HIS 190 Ca 0.61 -0.01 -0.17 0.00 -2.20 0.00 0.00 60.37 58.59 1u0e h HIS 190 Cb 1.28 0.19 -0.00 0.00 1.55 0.00 0.00 27.41 30.43 1u0e h HIS 190 CO -0.16 -0.27 -0.60 0.97 -1.30 0.00 0.00 177.93 176.57 1u0e h ILE 191 N -0.82 1.32 -0.22 6.26 2.10 -1.70 -2.85 117.51 121.59 1u0e h ILE 191 Ca -0.06 -1.85 0.02 0.00 1.08 0.00 0.00 64.86 64.04 1u0e h ILE 191 Cb 0.56 1.81 -0.02 0.00 -1.09 0.00 0.00 36.82 38.08 1u0e h ILE 191 CO 0.10 0.58 0.09 0.00 -1.08 0.00 0.00 178.15 177.85 1u0e h ALA 192 N 0.87 0.26 -0.10 0.18 0.00 -0.98 0.15 119.26 119.65 1u0e h ALA 192 Ca -0.00 0.01 -0.10 0.00 0.00 0.00 0.00 54.91 54.82 1u0e h ALA 192 Cb 1.16 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.93 1u0e h ALA 192 CO 0.12 -0.32 -0.39 0.87 0.00 0.00 0.00 179.25 179.53 1u0e h LYS 193 N 0.21 0.21 -0.11 0.00 1.79 -1.23 -1.62 116.57 115.82 1u0e h LYS 193 Ca 0.09 -0.09 -0.10 0.00 -2.18 0.00 0.00 60.65 58.37 1u0e h LYS 193 Cb 0.04 -0.01 0.00 0.00 -1.58 0.00 0.00 32.23 30.69 1u0e h LYS 193 CO -0.08 0.57 -0.32 1.15 -1.08 0.00 0.00 179.45 179.69 1u0e h THR 194 N 0.18 1.39 0.00 -0.16 2.02 -1.21 -3.23 112.91 111.91 1u0e h THR 194 Ca 0.02 -1.65 -0.07 0.00 0.77 0.00 0.00 66.41 65.48 1u0e h THR 194 Cb 0.77 2.16 -0.01 0.00 -1.74 0.00 0.00 68.15 69.33 1u0e h THR 194 CO 0.06 0.48 -0.31 -0.07 0.37 0.00 0.00 175.52 176.05 1u0e h LEU 195 N -0.02 0.00 -2.16 2.58 3.38 -0.55 -2.69 115.31 115.84 1u0e h LEU 195 Ca -0.01 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.95 1u0e h LEU 195 Cb 0.95 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.69 1u0e h LEU 195 CO 0.07 0.31 -0.06 0.00 0.09 0.00 0.00 178.44 178.85 1u0e h ALA 196 N 1.69 1.45 -0.62 1.53 0.00 -1.31 -2.26 119.26 119.74 1u0e h ALA 196 Ca -0.00 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.85 1u0e h ALA 196 Cb 0.66 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.44 1u0e h ALA 196 CO 0.04 0.08 0.00 0.43 0.00 0.00 0.00 179.25 179.80 1u0e n SER 197 N -3.82 3.98 -4.37 0.00 7.64 -1.02 -4.99 113.62 111.05 1u0e n SER 197 Ca -0.02 -2.16 -0.20 0.00 1.01 0.00 0.00 58.87 57.50 1u0e n SER 197 Cb 0.16 -0.47 -0.10 0.00 -1.01 0.00 0.00 64.21 62.79 1u0e n SER 197 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1u0e s LEU 198 N -1.29 2.56 -0.12 -3.43 1.43 -0.85 -5.12 118.68 111.85 1u0e s LEU 198 Ca 0.44 -1.01 -0.00 0.00 -1.03 0.00 0.00 54.13 52.53 1u0e s LEU 198 Cb 0.25 -0.76 -0.02 0.00 0.03 0.00 0.00 46.19 45.69 1u0e s LEU 198 CO 0.27 -0.12 -0.11 -0.55 0.23 0.00 0.00 176.35 176.07 1u0e s SER 199 N -3.31 4.23 0.54 2.29 0.15 -1.26 -4.99 113.70 111.35 1u0e s SER 199 Ca 0.23 -0.24 0.21 0.00 0.70 0.00 0.00 55.95 56.86 1u0e s SER 199 Cb -0.02 -1.49 1.41 0.00 -1.71 0.00 0.00 66.02 64.22 1u0e s SER 199 CO 0.08 0.21 2.12 -0.65 1.20 0.00 0.00 173.24 176.21 1u0e h PRO 200 N 6.35 0.00 0.00 5.44 0.11 -1.95 -2.42 132.00 139.53 1u0e h PRO 200 Ca -0.32 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.76 1u0e h PRO 200 Cb 1.20 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.30 1u0e h PRO 200 CO 0.56 0.00 -0.14 0.93 -0.21 0.00 0.00 178.00 179.14 1u0e h GLU 201 N 0.00 0.00 0.00 1.05 5.08 -1.97 -3.27 114.58 115.47 1u0e h GLU 201 Ca 0.06 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.42 1u0e h GLU 201 Cb 0.27 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.52 1u0e h GLU 201 CO -0.00 0.14 -0.07 0.25 -1.00 0.00 0.00 179.01 178.33 1u0e n THR 202 N -3.83 0.73 -4.54 1.13 -2.24 -0.93 -4.27 114.28 100.33 1u0e n THR 202 Ca -0.02 -0.80 -0.34 0.00 -2.27 0.00 0.00 64.05 60.62 1u0e n THR 202 Cb 0.24 0.51 -0.12 0.00 -2.10 0.00 0.00 70.33 68.86 1u0e n THR 202 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 1u0e s SER 203 N -1.05 4.59 -0.18 3.42 0.01 -1.11 -0.91 113.70 118.47 1u0e s SER 203 Ca 0.06 -0.15 -0.02 0.00 1.31 0.00 0.00 55.95 57.15 1u0e s SER 203 Cb 0.05 -1.60 -0.01 0.00 0.21 0.00 0.00 66.02 64.68 1u0e s SER 203 CO 0.01 0.22 -0.10 -0.22 0.41 0.00 0.00 173.24 173.56 1u0e s LEU 204 N 0.07 2.74 -0.09 2.44 2.96 0.09 -4.79 118.68 122.10 1u0e s LEU 204 Ca -0.02 -0.39 -0.14 0.00 -0.22 0.00 0.00 54.13 53.36 1u0e s LEU 204 Cb -0.14 -1.66 -0.05 0.00 0.50 0.00 0.00 46.19 44.84 1u0e s LEU 204 CO 0.03 0.06 0.34 -0.36 -1.32 0.00 0.00 176.35 175.11 1u0e s PHE 205 N 0.99 3.58 -0.25 5.38 0.40 0.12 -0.06 117.98 128.13 1u0e s PHE 205 Ca -0.01 0.77 -0.02 0.00 -0.60 0.00 0.00 56.93 57.07 1u0e s PHE 205 Cb -0.15 -2.31 0.02 0.00 0.51 0.00 0.00 43.02 41.09 1u0e s PHE 205 CO -0.01 0.43 -0.05 0.42 0.70 0.00 0.00 175.22 176.71 1u0e s ILE 206 N -0.22 2.98 -0.40 0.64 1.01 0.45 -1.10 121.20 124.57 1u0e s ILE 206 Ca 0.20 -0.96 -0.16 0.00 0.00 0.00 0.00 60.65 59.74 1u0e s ILE 206 Cb -0.14 -2.50 0.01 0.00 0.01 0.00 0.00 42.46 39.83 1u0e s ILE 206 CO 0.08 0.21 0.35 -0.63 0.00 0.00 0.00 174.94 174.95 1u0e s ILE 207 N 1.35 5.19 -0.27 2.92 -1.09 0.52 -0.40 121.20 129.40 1u0e s ILE 207 Ca 0.01 -0.39 -0.03 0.00 -2.23 0.00 0.00 60.65 58.01 1u0e s ILE 207 Cb -0.16 -3.93 0.03 0.00 -1.58 0.00 0.00 42.46 36.81 1u0e s ILE 207 CO -0.04 -0.29 -0.02 0.00 -1.23 0.00 0.00 174.94 173.37 1u0e s ALA 208 N 1.90 2.80 -0.30 9.38 0.00 -0.08 -0.68 121.76 134.79 1u0e s ALA 208 Ca 0.09 -1.53 -0.14 0.00 0.00 0.00 0.00 51.96 50.37 1u0e s ALA 208 Cb -0.18 -1.85 0.15 0.00 0.00 0.00 0.00 23.12 21.25 1u0e s ALA 208 CO 0.12 -0.95 0.89 0.45 0.00 0.00 0.00 175.76 176.26 1u0e s SER 209 N 1.34 -0.73 0.12 0.00 0.15 -0.62 -4.32 113.70 109.66 1u0e s SER 209 Ca -0.01 1.03 -0.21 0.00 0.70 0.00 0.00 55.95 57.46 1u0e s SER 209 Cb -0.17 1.73 -0.04 0.00 -1.71 0.00 0.00 66.02 65.82 1u0e s SER 209 CO -0.02 -0.15 1.70 0.50 1.20 0.00 0.00 173.24 176.47 1u0e h LYS 210 N 7.36 -0.06 0.00 5.44 3.64 -1.95 -2.79 116.57 128.21 1u0e h LYS 210 Ca -0.19 0.00 -0.10 0.00 -1.27 0.00 0.00 60.65 59.09 1u0e h LYS 210 Cb 1.13 0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 32.95 1u0e h LYS 210 CO 0.11 -0.04 -0.86 1.79 -2.27 0.00 0.00 179.45 178.18 1u0e h THR 211 N -0.06 0.53 -2.69 1.00 1.35 -1.97 -2.33 112.91 108.73 1u0e h THR 211 Ca 0.08 -1.85 -0.36 0.00 -0.55 0.00 0.00 66.41 63.73 1u0e h THR 211 Cb 0.18 2.11 -0.05 0.00 -1.73 0.00 0.00 68.15 68.66 1u0e h THR 211 CO -0.18 0.30 -0.43 0.33 -0.25 0.00 0.00 175.52 175.29 1u0e n PHE 212 N -3.01 -0.87 -0.23 4.73 7.35 -1.05 -4.63 117.46 119.75 1u0e n PHE 212 Ca -0.02 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.67 1u0e n PHE 212 Cb 0.73 -3.45 0.00 0.00 0.35 0.00 0.00 39.48 37.11 1u0e n PHE 212 CO 0.00 0.00 0.00 0.25 -0.76 0.00 0.00 176.76 176.25 1u0e n THR 213 N -3.35 0.00 -1.68 -2.13 -2.24 -1.26 -4.83 114.28 98.79 1u0e n THR 213 Ca -0.20 -0.35 -0.51 0.00 -2.27 0.00 0.00 64.05 60.71 1u0e n THR 213 Cb 0.64 1.23 -0.06 0.00 -2.10 0.00 0.00 70.33 70.04 1u0e n THR 213 CO 0.00 0.00 0.00 0.41 -0.57 0.00 0.00 175.07 174.91 1u0e n THR 214 N -0.16 0.31 0.01 4.28 -1.04 -1.26 -4.87 114.28 111.56 1u0e n THR 214 Ca 0.00 -0.06 -0.10 0.00 -2.04 0.00 0.00 64.05 61.86 1u0e n THR 214 Cb 0.06 -1.46 -0.03 0.00 -1.82 0.00 0.00 70.33 67.07 1u0e n THR 214 CO 0.00 0.00 0.00 -0.61 -0.64 0.00 0.00 175.07 173.82 1u0e h GLN 215 N 7.35 -0.21 -0.35 -2.82 4.15 -1.99 -0.99 115.11 120.26 1u0e h GLN 215 Ca -0.47 0.01 0.04 0.00 0.77 0.00 0.00 58.65 59.00 1u0e h GLN 215 Cb 1.29 0.05 -0.04 0.00 0.21 0.00 0.00 27.48 28.99 1u0e h GLN 215 CO 0.92 -0.14 0.12 0.93 -1.93 0.00 0.00 178.83 178.72 1u0e h GLU 216 N -0.21 0.25 -0.15 1.69 3.07 -1.92 -1.17 114.58 116.13 1u0e h GLU 216 Ca 0.09 -0.02 -0.09 0.00 -0.50 0.00 0.00 59.36 58.84 1u0e h GLU 216 Cb 0.34 -0.06 -0.00 0.00 -0.84 0.00 0.00 28.75 28.19 1u0e h GLU 216 CO -0.23 0.17 -0.24 1.15 -1.40 0.00 0.00 179.01 178.46 1u0e h THR 217 N 0.26 1.36 -0.64 1.13 2.02 -1.78 -0.25 112.91 115.01 1u0e h THR 217 Ca 0.16 -1.47 -0.09 0.00 0.77 0.00 0.00 66.41 65.78 1u0e h THR 217 Cb 0.13 1.95 -0.02 0.00 -1.74 0.00 0.00 68.15 68.47 1u0e h THR 217 CO -0.17 0.44 0.05 0.40 0.37 0.00 0.00 175.52 176.61 1u0e h ILE 218 N 0.05 1.27 -0.21 3.11 1.08 -1.16 0.22 117.51 121.86 1u0e h ILE 218 Ca 0.01 -1.11 -0.02 0.00 -0.39 0.00 0.00 64.86 63.35 1u0e h ILE 218 Cb 0.82 0.72 -0.01 0.00 -3.07 0.00 0.00 36.82 35.27 1u0e h ILE 218 CO 0.06 0.41 0.05 0.74 -0.69 0.00 0.00 178.15 178.71 1u0e h THR 219 N 1.01 1.21 -0.79 -0.27 2.02 -1.16 0.34 112.91 115.27 1u0e h THR 219 Ca 0.19 -0.67 0.04 0.00 0.77 0.00 0.00 66.41 66.73 1u0e h THR 219 Cb 0.51 1.26 -0.05 0.00 -1.74 0.00 0.00 68.15 68.13 1u0e h THR 219 CO 0.02 0.21 0.50 0.78 0.37 0.00 0.00 175.52 177.41 1u0e h ASN 220 N 0.15 0.82 -0.61 4.18 2.35 -0.90 -0.89 115.58 120.68 1u0e h ASN 220 Ca 0.06 -0.00 -0.10 0.00 -0.55 0.00 0.00 56.30 55.72 1u0e h ASN 220 Cb 0.28 -0.18 -0.02 0.00 0.05 0.00 0.00 38.32 38.45 1u0e h ASN 220 CO 0.00 0.56 0.00 0.00 -1.65 0.00 0.00 177.43 176.34 1u0e h ALA 221 N 1.34 0.82 -0.67 -0.83 0.00 -0.74 0.09 119.26 119.27 1u0e h ALA 221 Ca 0.32 -0.31 -0.07 0.00 0.00 0.00 0.00 54.91 54.85 1u0e h ALA 221 Cb 0.04 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.57 1u0e h ALA 221 CO -0.12 0.67 0.13 0.93 0.00 0.00 0.00 179.25 180.86 1u0e h GLU 222 N 0.98 1.08 -0.36 0.00 5.08 -0.52 0.08 114.58 120.92 1u0e h GLU 222 Ca 0.17 -0.27 -0.02 0.00 -1.00 0.00 0.00 59.36 58.25 1u0e h GLU 222 Cb 0.56 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.66 1u0e h GLU 222 CO 0.03 0.97 0.16 1.15 -1.00 0.00 0.00 179.01 180.32 1u0e h THR 223 N 1.02 1.18 -0.56 1.13 2.02 -0.86 -0.14 112.91 116.70 1u0e h THR 223 Ca 0.21 -0.53 0.02 0.00 0.77 0.00 0.00 66.41 66.87 1u0e h THR 223 Cb 0.40 0.87 -0.03 0.00 -1.74 0.00 0.00 68.15 67.64 1u0e h THR 223 CO 0.01 0.19 0.36 0.00 0.37 0.00 0.00 175.52 176.45 1u0e h ALA 224 N 1.00 0.72 -0.55 6.16 0.00 -0.77 -0.57 119.26 125.25 1u0e h ALA 224 Ca 0.12 -0.03 -0.09 0.00 0.00 0.00 0.00 54.91 54.91 1u0e h ALA 224 Cb 0.16 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 1u0e h ALA 224 CO -0.01 0.11 -0.02 -0.22 0.00 0.00 0.00 179.25 179.10 1u0e h LYS 225 N 0.72 0.97 -0.60 0.00 3.64 -0.81 0.65 116.57 121.14 1u0e h LYS 225 Ca 0.22 -0.30 -0.02 0.00 -1.27 0.00 0.00 60.65 59.28 1u0e h LYS 225 Cb -0.03 -0.09 -0.03 0.00 -0.41 0.00 0.00 32.23 31.67 1u0e h LYS 225 CO -0.07 0.97 0.31 1.49 -2.27 0.00 0.00 179.45 179.87 1u0e h GLU 226 N 0.89 0.85 -0.50 1.90 4.81 -0.69 0.13 114.58 121.96 1u0e h GLU 226 Ca 0.16 -0.11 -0.03 0.00 -0.13 0.00 0.00 59.36 59.25 1u0e h GLU 226 Cb 0.55 -0.16 -0.02 0.00 0.63 0.00 0.00 28.75 29.75 1u0e h GLU 226 CO 0.03 0.67 0.20 2.35 -0.73 0.00 0.00 179.01 181.53 1u0e h TRP 227 N 0.81 0.75 -0.09 0.92 7.01 -0.83 -1.30 115.95 123.23 1u0e h TRP 227 Ca 0.21 -0.06 -0.00 0.00 2.11 0.00 0.00 58.89 61.15 1u0e h TRP 227 Cb 0.09 -0.23 -0.00 0.00 -2.10 0.00 0.00 29.16 26.92 1u0e h TRP 227 CO -0.01 0.63 0.04 0.35 -2.79 0.00 0.00 178.44 176.67 1u0e h PHE 228 N 0.66 0.13 0.00 2.65 3.57 -0.65 -2.98 116.94 120.32 1u0e h PHE 228 Ca 0.17 -0.01 -0.05 0.00 3.53 0.00 0.00 57.97 61.61 1u0e h PHE 228 Cb 0.19 -0.04 -0.01 0.00 2.79 0.00 0.00 35.95 38.89 1u0e h PHE 228 CO 0.00 0.21 -0.24 -0.07 -2.23 0.00 0.00 178.31 175.99 1u0e h LEU 229 N 0.02 0.00 -1.39 0.59 3.38 -0.88 0.83 115.31 117.86 1u0e h LEU 229 Ca 0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.00 1u0e h LEU 229 Cb 0.13 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.85 1u0e h LEU 229 CO -0.00 0.24 0.39 -0.08 0.09 0.00 0.00 178.44 179.07 1u0e h GLU 230 N 0.00 0.79 0.02 1.13 4.22 -1.08 0.03 114.58 119.69 1u0e h GLU 230 Ca -0.00 -0.05 -0.15 0.00 0.08 0.00 0.00 59.36 59.24 1u0e h GLU 230 Cb 0.59 -0.18 -0.02 0.00 0.50 0.00 0.00 28.75 29.65 1u0e h GLU 230 CO 0.03 0.54 -0.79 0.00 -2.18 0.00 0.00 179.01 176.60 1u0e h ALA 231 N 1.61 0.15 0.03 2.92 0.00 -1.33 -3.41 119.26 119.23 1u0e h ALA 231 Ca 0.22 -0.91 -0.25 0.00 0.00 0.00 0.00 54.91 53.97 1u0e h ALA 231 Cb -0.08 0.41 0.01 0.00 0.00 0.00 0.00 17.79 18.13 1u0e h ALA 231 CO -0.05 0.45 -1.04 0.00 0.00 0.00 0.00 179.25 178.61 1u0e h ALA 232 N -0.23 0.24 -2.79 0.00 0.00 -0.87 -3.48 119.26 112.13 1u0e h ALA 232 Ca -0.21 -0.74 -0.41 0.00 0.00 0.00 0.00 54.91 53.56 1u0e h ALA 232 Cb 1.26 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 19.04 1u0e h ALA 232 CO -0.09 0.79 -0.51 1.63 0.00 0.00 0.00 179.25 181.07 1u0e n LYS 233 N -3.74 -1.62 -3.31 0.00 5.02 -0.01 -4.93 118.16 109.57 1u0e n LYS 233 Ca -0.09 1.00 -0.08 0.00 -2.02 0.00 0.00 58.31 57.12 1u0e n LYS 233 Cb 0.89 -5.62 -0.06 0.00 -0.02 0.00 0.00 35.03 30.21 1u0e n LYS 233 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 1u0e s ASP 234 N -2.12 0.23 0.54 4.39 3.68 -1.26 -5.04 116.67 117.09 1u0e s ASP 234 Ca 0.00 -0.07 0.21 0.00 2.13 0.00 0.00 52.55 54.82 1u0e s ASP 234 Cb 0.00 1.17 1.39 0.00 -1.45 0.00 0.00 42.92 44.02 1u0e s ASP 234 CO 0.00 -0.33 2.10 -0.65 0.13 0.00 0.00 175.17 176.42 1u0e h PRO 235 N 8.16 0.00 0.00 4.34 0.11 -1.96 -1.14 132.00 141.50 1u0e h PRO 235 Ca -0.14 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.97 1u0e h PRO 235 Cb 1.14 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.25 1u0e h PRO 235 CO 0.27 0.00 0.00 0.66 -0.21 0.00 0.00 178.00 178.72 1u0e h SER 236 N 0.00 0.00 1.33 -2.05 4.64 -2.00 -2.88 113.55 112.59 1u0e h SER 236 Ca 0.09 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.41 1u0e h SER 236 Cb 0.38 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.47 1u0e h SER 236 CO -0.00 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 175.96 1u0e h ALA 237 N 2.12 1.00 -0.98 5.18 0.00 -1.62 -3.11 119.26 121.85 1u0e h ALA 237 Ca 0.00 0.00 0.14 0.00 0.00 0.00 0.00 54.91 55.05 1u0e h ALA 237 Cb 0.59 0.00 -0.09 0.00 0.00 0.00 0.00 17.79 18.30 1u0e h ALA 237 CO 0.00 0.00 0.62 0.28 0.00 0.00 0.00 179.25 180.15 1u0e h VAL 238 N 0.00 0.87 0.00 0.00 2.07 -1.63 -1.34 116.25 116.22 1u0e h VAL 238 Ca 0.00 -0.31 -0.00 0.00 0.82 0.00 0.00 66.70 67.21 1u0e h VAL 238 Cb 0.66 -0.11 -0.00 0.00 -1.52 0.00 0.00 31.29 30.33 1u0e h VAL 238 CO 0.00 0.16 -0.00 0.00 0.02 0.00 0.00 177.57 177.75 1u0e h ALA 239 N 1.57 1.05 -0.00 1.67 0.00 -1.77 -0.32 119.26 121.46 1u0e h ALA 239 Ca 0.50 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.41 1u0e h ALA 239 Cb 0.61 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.40 1u0e h ALA 239 CO -0.27 0.00 -0.36 1.63 0.00 0.00 0.00 179.25 180.25 1u0e n LYS 240 N -3.16 0.19 0.00 0.00 5.02 -0.51 -4.47 118.16 115.23 1u0e n LYS 240 Ca -0.03 -0.10 0.00 0.00 -2.02 0.00 0.00 58.31 56.17 1u0e n LYS 240 Cb 0.10 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.61 1u0e n LYS 240 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 1u0e n HIS 241 N -1.32 0.00 -4.31 2.13 8.25 -0.52 -4.78 115.22 114.67 1u0e n HIS 241 Ca 0.08 0.00 -0.21 0.00 -0.26 0.00 0.00 57.72 57.33 1u0e n HIS 241 Cb 0.33 0.00 -0.16 0.00 1.12 0.00 0.00 29.99 31.28 1u0e n HIS 241 CO 0.00 0.00 0.00 -0.06 0.64 0.00 0.00 176.34 176.92 1u0e s PHE 242 N -0.26 0.94 -0.00 4.41 0.40 -0.25 0.12 117.98 123.35 1u0e s PHE 242 Ca 0.00 -0.28 0.05 0.00 -0.60 0.00 0.00 56.93 56.10 1u0e s PHE 242 Cb 0.00 -0.75 -0.01 0.00 0.51 0.00 0.00 43.02 42.77 1u0e s PHE 242 CO 0.00 -0.19 -0.16 0.08 0.70 0.00 0.00 175.22 175.65 1u0e s VAL 243 N 0.68 1.30 -0.06 -0.44 1.01 -0.26 -4.73 120.40 117.90 1u0e s VAL 243 Ca -0.11 -0.78 -0.00 0.00 0.00 0.00 0.00 61.98 61.09 1u0e s VAL 243 Cb -0.13 -1.10 -0.03 0.00 0.00 0.00 0.00 36.38 35.11 1u0e s VAL 243 CO 0.01 0.31 -0.02 0.00 0.00 0.00 0.00 175.10 175.39 1u0e s ALA 244 N -0.47 3.17 -0.23 5.51 0.00 -0.05 -0.36 121.76 129.33 1u0e s ALA 244 Ca 0.06 -0.87 0.02 0.00 0.00 0.00 0.00 51.96 51.17 1u0e s ALA 244 Cb -0.07 -1.36 0.05 0.00 0.00 0.00 0.00 23.12 21.74 1u0e s ALA 244 CO -0.00 0.59 -0.11 -0.51 0.00 0.00 0.00 175.76 175.74 1u0e s LEU 245 N -1.00 2.80 0.29 0.00 1.43 0.15 -0.66 118.68 121.69 1u0e s LEU 245 Ca 0.14 -1.12 -0.20 0.00 -1.03 0.00 0.00 54.13 51.91 1u0e s LEU 245 Cb -0.11 -1.38 0.03 0.00 0.03 0.00 0.00 46.19 44.75 1u0e s LEU 245 CO 0.04 -0.16 0.74 -0.55 0.23 0.00 0.00 176.35 176.64 1u0e s SER 246 N 1.26 -0.22 -0.01 2.29 0.15 -1.07 -1.58 113.70 114.53 1u0e s SER 246 Ca -0.05 -0.69 0.17 0.00 0.70 0.00 0.00 55.95 56.09 1u0e s SER 246 Cb -0.18 0.74 -0.21 0.00 -1.71 0.00 0.00 66.02 64.67 1u0e s SER 246 CO -0.07 -1.39 0.63 0.35 1.20 0.00 0.00 173.24 173.96 1u0e n THR 247 N -0.47 0.00 -3.53 6.45 -2.24 -0.88 -1.84 114.28 111.77 1u0e n THR 247 Ca -0.05 -0.18 -0.39 0.00 -2.27 0.00 0.00 64.05 61.16 1u0e n THR 247 Cb 0.59 0.76 -0.04 0.00 -2.10 0.00 0.00 70.33 69.54 1u0e n THR 247 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 1u0e s ASN 248 N -2.98 6.45 0.24 3.42 3.84 -1.24 -4.91 114.94 119.77 1u0e s ASN 248 Ca 0.03 -3.65 -0.04 0.00 0.21 0.00 0.00 52.86 49.41 1u0e s ASN 248 Cb 0.12 -2.01 0.44 0.00 -0.55 0.00 0.00 41.25 39.25 1u0e s ASN 248 CO 0.70 -0.23 1.75 0.74 -2.79 0.00 0.00 177.10 177.28 1u0e h THR 249 N 3.97 0.74 -0.65 -5.21 2.02 -1.94 -1.65 112.91 110.18 1u0e h THR 249 Ca 0.16 -0.19 -0.02 0.00 0.77 0.00 0.00 66.41 67.14 1u0e h THR 249 Cb 0.84 0.14 -0.03 0.00 -1.74 0.00 0.00 68.15 67.36 1u0e h THR 249 CO 0.90 0.10 0.35 0.00 0.37 0.00 0.00 175.52 177.24 1u0e h ALA 250 N 1.51 0.84 0.00 6.16 0.00 -1.99 -0.19 119.26 125.60 1u0e h ALA 250 Ca 0.41 -0.11 -0.14 0.00 0.00 0.00 0.00 54.91 55.07 1u0e h ALA 250 Cb 0.55 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 1u0e h ALA 250 CO -0.35 0.37 -0.65 0.87 0.00 0.00 0.00 179.25 179.48 1u0e h LYS 251 N 0.89 0.00 -0.36 0.00 1.79 -1.77 -0.31 116.57 116.81 1u0e h LYS 251 Ca 0.23 0.00 -0.04 0.00 -2.18 0.00 0.00 60.65 58.66 1u0e h LYS 251 Cb 0.06 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 30.70 1u0e h LYS 251 CO -0.03 0.65 0.08 0.28 -1.08 0.00 0.00 179.45 179.35 1u0e h VAL 252 N 0.00 1.23 -0.48 0.50 2.07 -0.89 -1.16 116.25 117.52 1u0e h VAL 252 Ca -0.01 -0.78 -0.01 0.00 0.82 0.00 0.00 66.70 66.72 1u0e h VAL 252 Cb 1.18 1.05 -0.02 0.00 -1.52 0.00 0.00 31.29 31.98 1u0e h VAL 252 CO 0.08 0.27 0.27 0.11 0.02 0.00 0.00 177.57 178.32 1u0e h LYS 253 N 0.44 0.66 -0.75 1.57 1.57 -0.89 -2.22 116.57 116.96 1u0e h LYS 253 Ca 0.11 -0.07 0.09 0.00 -1.87 0.00 0.00 60.65 58.91 1u0e h LYS 253 Cb 0.32 -0.13 -0.07 0.00 0.08 0.00 0.00 32.23 32.42 1u0e h LYS 253 CO 0.00 0.51 0.40 1.49 -0.57 0.00 0.00 179.45 181.28 1u0e h GLU 254 N 0.63 0.65 -0.21 3.15 4.81 -0.90 -2.19 114.58 120.53 1u0e h GLU 254 Ca 0.17 -0.04 -0.06 0.00 -0.13 0.00 0.00 59.36 59.29 1u0e h GLU 254 Cb 0.03 -0.15 -0.01 0.00 0.63 0.00 0.00 28.75 29.25 1u0e h GLU 254 CO -0.03 0.43 -0.15 0.35 -0.73 0.00 0.00 179.01 178.88 1u0e h PHE 255 N 0.67 0.38 0.00 0.92 3.57 -0.94 -3.47 116.94 118.08 1u0e h PHE 255 Ca 0.37 -0.05 0.00 0.00 3.53 0.00 0.00 57.97 61.81 1u0e h PHE 255 Cb 0.36 -0.10 0.00 0.00 2.79 0.00 0.00 35.95 39.00 1u0e h PHE 255 CO -0.09 0.50 0.00 0.41 -2.23 0.00 0.00 178.31 176.90 1u0e n GLY 256 N -0.70 1.62 3.33 2.40 0.00 -0.82 -5.10 105.19 105.92 1u0e n GLY 256 Ca -0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.69 1u0e n GLY 256 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1u0e s ILE 257 N -1.62 2.63 0.35 -0.61 1.01 -0.87 -4.95 121.20 117.14 1u0e s ILE 257 Ca 0.00 -0.83 -0.27 0.00 0.00 0.00 0.00 60.65 59.55 1u0e s ILE 257 Cb 0.00 -2.05 -0.09 0.00 0.01 0.00 0.00 42.46 40.33 1u0e s ILE 257 CO 0.00 0.55 1.14 -0.62 0.00 0.00 0.00 174.94 176.01 1u0e s ASP 258 N 0.09 6.86 0.61 3.58 2.15 -1.26 -3.37 116.67 125.33 1u0e s ASP 258 Ca -0.08 2.31 0.28 0.00 0.43 0.00 0.00 52.55 55.49 1u0e s ASP 258 Cb -0.15 -2.62 1.47 0.00 -0.30 0.00 0.00 42.92 41.31 1u0e s ASP 258 CO 0.05 -0.44 1.87 -0.65 -0.17 0.00 0.00 175.17 175.84 1u0e h PRO 259 N 3.13 0.00 -0.26 4.34 0.11 -1.93 0.14 132.00 137.53 1u0e h PRO 259 Ca -0.48 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.63 1u0e h PRO 259 Cb 1.22 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.32 1u0e h PRO 259 CO 0.64 0.00 0.14 -0.56 -0.21 0.00 0.00 178.00 178.01 1u0e h GLN 260 N 0.00 0.35 -0.82 1.05 3.07 -2.02 -1.64 115.11 115.10 1u0e h GLN 260 Ca 0.17 -0.03 -0.20 0.00 0.09 0.00 0.00 58.65 58.69 1u0e h GLN 260 Cb 1.13 -0.08 -0.12 0.00 0.08 0.00 0.00 27.48 28.49 1u0e h GLN 260 CO -0.00 0.26 0.25 0.09 0.09 0.00 0.00 178.83 179.52 1u0e n ASN 261 N -4.47 4.30 -4.16 0.06 4.13 0.48 -4.88 115.26 110.73 1u0e n ASN 261 Ca 0.01 -3.02 -0.28 0.00 1.68 0.00 0.00 54.58 52.97 1u0e n ASN 261 Cb 0.10 -0.71 -0.16 0.00 -1.54 0.00 0.00 39.78 37.46 1u0e n ASN 261 CO 0.00 0.00 0.00 -0.32 0.28 0.00 0.00 177.26 177.22 1u0e s MET 262 N -2.56 2.08 -0.17 3.52 1.75 -0.62 -0.87 119.30 122.43 1u0e s MET 262 Ca 0.46 -0.68 -0.02 0.00 -1.25 0.00 0.00 55.69 54.20 1u0e s MET 262 Cb 0.36 -1.75 -0.01 0.00 2.84 0.00 0.00 34.83 36.27 1u0e s MET 262 CO 0.11 0.24 -0.09 -0.51 -0.65 0.00 0.00 175.02 174.12 1u0e s LEU 263 N 0.11 2.83 0.19 4.11 1.43 0.17 -4.97 118.68 122.56 1u0e s LEU 263 Ca -0.07 -0.34 0.03 0.00 -1.03 0.00 0.00 54.13 52.72 1u0e s LEU 263 Cb -0.13 -1.68 -0.03 0.00 0.03 0.00 0.00 46.19 44.37 1u0e s LEU 263 CO 0.04 0.08 0.33 -1.83 0.23 0.00 0.00 176.35 175.20 1u0e s GLU 264 N 0.85 3.45 0.00 1.70 -1.05 -1.26 -2.60 118.70 119.79 1u0e s GLU 264 Ca -0.03 -0.64 0.00 0.00 -0.15 0.00 0.00 54.97 54.15 1u0e s GLU 264 Cb -0.15 -2.92 0.00 0.00 -0.44 0.00 0.00 34.13 30.62 1u0e s GLU 264 CO 0.01 0.47 0.00 1.97 0.95 0.00 0.00 175.26 178.65 1u0e n PHE 265 N -0.94 0.00 -4.27 4.83 1.16 -0.77 -4.56 117.46 112.92 1u0e n PHE 265 Ca -0.08 0.00 -0.15 0.00 -1.87 0.00 0.00 57.45 55.36 1u0e n PHE 265 Cb 0.55 0.00 -0.10 0.00 -1.61 0.00 0.00 39.48 38.32 1u0e n PHE 265 CO 0.00 0.00 0.00 -1.58 -1.87 0.00 0.00 176.76 173.31 1u0e s TRP 266 N -1.37 1.33 0.42 2.97 0.51 -1.26 -4.33 118.94 117.22 1u0e s TRP 266 Ca 0.00 -0.84 0.32 0.00 -2.12 0.00 0.00 56.10 53.46 1u0e s TRP 266 Cb 0.00 -0.72 1.66 0.00 -0.81 0.00 0.00 33.47 33.60 1u0e s TRP 266 CO 0.00 0.00 2.13 0.38 -0.51 0.00 0.00 176.95 178.95 1u0e h ASP 267 N 2.69 0.00 -0.08 2.95 3.04 -1.97 -1.54 116.42 121.51 1u0e h ASP 267 Ca -0.37 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.42 1u0e h ASP 267 Cb 1.20 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 39.49 1u0e h ASP 267 CO 0.64 0.07 0.00 -2.67 -2.04 0.00 0.00 179.24 175.23 1u0e n TRP 268 N -3.44 0.11 -3.49 4.15 4.27 -1.26 -4.50 117.44 113.28 1u0e n TRP 268 Ca -0.02 -0.05 -0.42 0.00 -3.89 0.00 0.00 57.50 53.12 1u0e n TRP 268 Cb 0.21 0.00 -0.08 0.00 -1.36 0.00 0.00 31.31 30.08 1u0e n TRP 268 CO 0.00 0.00 0.00 0.08 -2.29 0.00 0.00 177.69 175.48 1u0e s VAL 269 N -1.89 4.57 0.34 -1.67 1.01 -0.58 -1.24 120.40 120.93 1u0e s VAL 269 Ca 0.11 -1.53 -0.29 0.00 0.00 0.00 0.00 61.98 60.27 1u0e s VAL 269 Cb 0.05 -3.90 -0.10 0.00 0.00 0.00 0.00 36.38 32.43 1u0e s VAL 269 CO 0.08 -0.70 1.35 -0.83 0.00 0.00 0.00 175.10 174.99 1u0e s GLY 270 N 2.72 2.98 0.26 4.51 0.00 -1.26 -4.87 107.32 111.67 1u0e s GLY 270 Ca 0.04 1.33 -0.05 0.00 0.00 0.00 0.00 44.72 46.04 1u0e s GLY 270 CO 0.02 1.99 1.61 -1.33 0.00 0.00 0.00 173.10 175.39 1u0e h GLY 271 N 3.32 0.91 0.44 0.20 0.00 -1.95 0.19 103.07 106.17 1u0e h GLY 271 Ca -0.49 0.15 0.00 0.00 0.00 0.00 0.00 47.33 46.99 1u0e h GLY 271 CO 0.65 -0.35 0.00 -0.96 0.00 0.00 0.00 176.54 175.88 1u0e n ARG 272 N -5.42 0.97 -0.61 4.80 1.85 -1.26 -2.14 116.66 114.85 1u0e n ARG 272 Ca 0.16 0.00 0.05 0.00 -1.00 0.00 0.00 57.85 57.06 1u0e n ARG 272 Cb 0.54 -1.22 0.11 0.00 -1.05 0.00 0.00 32.46 30.84 1u0e n ARG 272 CO 0.00 0.00 0.00 0.66 -0.01 0.00 0.00 177.63 178.28 1u0e n TYR 273 N -0.72 0.00 0.96 2.89 4.02 0.61 -4.76 117.16 120.16 1u0e n TYR 273 Ca 0.10 -0.83 0.10 0.00 -0.01 0.00 0.00 57.90 57.27 1u0e n TYR 273 Cb 0.05 -0.16 -0.03 0.00 -0.02 0.00 0.00 39.34 39.18 1u0e n TYR 273 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 176.86 174.72 1u0e n SER 274 N -0.64 1.76 0.30 7.72 3.41 -0.88 -4.43 113.62 120.85 1u0e n SER 274 Ca 0.11 -1.38 0.18 0.00 -0.26 0.00 0.00 58.87 57.52 1u0e n SER 274 Cb 0.77 0.59 0.96 0.00 -0.26 0.00 0.00 64.21 66.27 1u0e n SER 274 CO 0.00 0.00 0.00 0.17 -0.16 0.00 0.00 175.04 175.05 1u0e h LEU 275 N 1.84 0.00 -0.06 1.04 8.10 -1.84 -1.47 115.31 122.92 1u0e h LEU 275 Ca 0.00 0.00 0.00 0.00 0.11 0.00 0.00 57.88 57.99 1u0e h LEU 275 Cb 0.68 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.90 1u0e h LEU 275 CO 0.00 0.03 0.00 0.79 -4.11 0.00 0.00 178.44 175.15 1u0e n TRP 276 N -3.37 0.14 -2.22 0.17 7.02 -1.26 -2.70 117.44 115.22 1u0e n TRP 276 Ca -0.02 0.05 0.00 0.00 -1.02 0.00 0.00 57.50 56.51 1u0e n TRP 276 Cb 0.15 -0.58 0.00 0.00 -2.42 0.00 0.00 31.31 28.47 1u0e n TRP 276 CO 0.00 0.00 0.00 -1.13 -2.02 0.00 0.00 177.69 174.54 1u0e n SER 277 N -1.62 0.06 -0.31 -0.99 3.41 -0.55 -4.75 113.62 108.87 1u0e n SER 277 Ca 0.05 -0.19 0.25 0.00 -0.26 0.00 0.00 58.87 58.72 1u0e n SER 277 Cb 0.27 0.00 0.57 0.00 -0.26 0.00 0.00 64.21 64.79 1u0e n SER 277 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1u0e h ALA 278 N -0.66 2.43 -0.48 7.33 0.00 -1.80 0.82 119.26 126.90 1u0e h ALA 278 Ca 0.00 0.03 0.14 0.00 0.00 0.00 0.00 54.91 55.08 1u0e h ALA 278 Cb 0.00 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 1u0e h ALA 278 CO 0.00 -0.81 0.49 0.82 0.00 0.00 0.00 179.25 179.75 1u0e h ILE 279 N 0.29 0.39 0.00 0.00 1.08 -1.85 0.30 117.51 117.72 1u0e h ILE 279 Ca 0.57 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 65.04 1u0e h ILE 279 Cb 1.63 0.62 0.00 0.00 -3.07 0.00 0.00 36.82 36.00 1u0e h ILE 279 CO -0.21 0.00 0.00 0.61 -0.69 0.00 0.00 178.15 177.86 1u0e n GLY 280 N -1.52 -0.96 0.22 5.37 0.00 0.28 -4.24 105.19 104.34 1u0e n GLY 280 Ca 0.09 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.10 1u0e n GLY 280 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1u0e h LEU 281 N 0.00 0.10 -1.70 0.99 5.85 -1.11 -1.15 115.31 118.28 1u0e h LEU 281 Ca 0.00 0.09 -0.02 0.00 0.84 0.00 0.00 57.88 58.79 1u0e h LEU 281 Cb 0.01 0.10 -0.01 0.00 0.37 0.00 0.00 40.66 41.13 1u0e h LEU 281 CO 0.00 0.07 -0.06 0.77 -0.34 0.00 0.00 178.44 178.88 1u0e h SER 282 N 0.31 0.10 0.07 1.25 4.64 -1.85 0.13 113.55 118.21 1u0e h SER 282 Ca 0.29 -0.01 -0.00 0.00 -0.47 0.00 0.00 61.79 61.59 1u0e h SER 282 Cb 0.38 -0.03 0.00 0.00 -0.31 0.00 0.00 62.40 62.45 1u0e h SER 282 CO -0.33 0.18 -0.03 0.40 -0.87 0.00 0.00 176.83 176.17 1u0e h ILE 283 N 0.11 1.02 -0.48 0.95 2.04 -1.54 -2.43 117.51 117.18 1u0e h ILE 283 Ca 0.03 -0.33 -0.07 0.00 1.00 0.00 0.00 64.86 65.48 1u0e h ILE 283 Cb 0.18 1.24 -0.02 0.00 -0.74 0.00 0.00 36.82 37.48 1u0e h ILE 283 CO 0.01 0.08 0.01 0.00 0.00 0.00 0.00 178.15 178.25 1u0e h ALA 284 N 0.67 1.11 -0.45 1.87 0.00 -0.62 -0.37 119.26 121.46 1u0e h ALA 284 Ca -0.01 -0.26 -0.06 0.00 0.00 0.00 0.00 54.91 54.58 1u0e h ALA 284 Cb 0.21 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 1u0e h ALA 284 CO 0.02 0.57 0.05 -0.07 0.00 0.00 0.00 179.25 179.81 1u0e h LEU 285 N 0.74 0.67 0.01 0.00 3.38 -0.78 0.32 115.31 119.66 1u0e h LEU 285 Ca 0.15 -0.13 -0.02 0.00 0.09 0.00 0.00 57.88 57.96 1u0e h LEU 285 Cb 0.44 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.02 1u0e h LEU 285 CO 0.02 0.71 -0.09 -0.74 0.09 0.00 0.00 178.44 178.44 1u0e h HIS 286 N 0.68 0.06 -0.00 1.13 2.76 -0.87 -3.38 115.15 115.53 1u0e h HIS 286 Ca 0.14 -0.04 0.00 0.00 -2.20 0.00 0.00 60.37 58.27 1u0e h HIS 286 Cb 0.35 -0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.31 1u0e h HIS 286 CO 0.02 0.98 -0.77 1.33 -1.30 0.00 0.00 177.93 178.19 1u0e n VAL 287 N -4.58 0.00 0.00 5.26 0.24 -0.21 -4.35 118.33 114.68 1u0e n VAL 287 Ca -0.10 -0.12 0.00 0.00 -2.04 0.00 0.00 64.34 62.08 1u0e n VAL 287 Cb 0.49 1.08 0.00 0.00 -1.47 0.00 0.00 33.84 33.94 1u0e n VAL 287 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1u0e n GLY 288 N 1.43 0.94 0.31 7.63 0.00 0.11 -4.46 105.19 111.15 1u0e n GLY 288 Ca 0.05 -1.65 -0.03 0.00 0.00 0.00 0.00 46.02 44.39 1u0e n GLY 288 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1u0e h PHE 289 N 0.00 0.93 -0.39 1.61 3.57 -1.91 -1.84 116.94 118.91 1u0e h PHE 289 Ca 0.00 -0.07 0.05 0.00 3.53 0.00 0.00 57.97 61.48 1u0e h PHE 289 Cb 0.00 -0.28 -0.05 0.00 2.79 0.00 0.00 35.95 38.41 1u0e h PHE 289 CO 0.00 0.74 0.10 -0.44 -2.23 0.00 0.00 178.31 176.49 1u0e h ASP 290 N 0.89 0.07 -0.21 0.41 3.32 -1.92 0.23 116.42 119.21 1u0e h ASP 290 Ca 0.20 0.06 -0.11 0.00 0.02 0.00 0.00 57.03 57.20 1u0e h ASP 290 Cb 0.24 0.06 -0.01 0.00 0.22 0.00 0.00 39.33 39.84 1u0e h ASP 290 CO -0.01 0.07 -0.25 0.45 -1.72 0.00 0.00 179.24 177.78 1u0e h HIS 291 N 0.24 0.78 -0.71 4.55 3.86 -1.72 -1.44 115.15 120.71 1u0e h HIS 291 Ca 0.18 -0.18 0.01 0.00 -1.16 0.00 0.00 60.37 59.23 1u0e h HIS 291 Cb 0.20 -0.18 -0.04 0.00 1.06 0.00 0.00 27.41 28.45 1u0e h HIS 291 CO -0.18 0.87 0.46 0.35 0.86 0.00 0.00 177.93 180.30 1u0e h PHE 292 N 0.60 0.87 -0.86 2.45 3.57 -0.78 -0.84 116.94 121.95 1u0e h PHE 292 Ca 0.08 0.02 0.01 0.00 3.53 0.00 0.00 57.97 61.61 1u0e h PHE 292 Cb 0.74 -0.29 -0.04 0.00 2.79 0.00 0.00 35.95 39.15 1u0e h PHE 292 CO 0.03 0.53 0.57 0.93 -2.23 0.00 0.00 178.31 178.15 1u0e h GLU 293 N 0.93 1.13 -0.55 1.11 5.08 -0.15 -1.49 114.58 120.64 1u0e h GLU 293 Ca 0.27 -0.07 -0.11 0.00 -1.00 0.00 0.00 59.36 58.45 1u0e h GLU 293 Cb -0.07 -0.26 -0.02 0.00 0.50 0.00 0.00 28.75 28.91 1u0e h GLU 293 CO -0.07 0.75 -0.10 1.96 -1.00 0.00 0.00 179.01 180.55 1u0e h GLN 294 N 1.17 1.03 -0.08 2.33 4.20 -0.88 0.52 115.11 123.41 1u0e h GLN 294 Ca 0.32 -0.38 0.03 0.00 0.06 0.00 0.00 58.65 58.68 1u0e h GLN 294 Cb -0.14 -0.07 -0.04 0.00 0.30 0.00 0.00 27.48 27.54 1u0e h GLN 294 CO -0.07 1.07 -0.13 1.25 -0.67 0.00 0.00 178.83 180.28 1u0e h LEU 295 N 0.92 -0.41 -0.73 1.46 5.85 -0.78 -0.91 115.31 120.71 1u0e h LEU 295 Ca 0.14 0.07 0.11 0.00 0.84 0.00 0.00 57.88 59.05 1u0e h LEU 295 Cb 0.67 0.19 -0.08 0.00 0.37 0.00 0.00 40.66 41.81 1u0e h LEU 295 CO 0.05 -0.18 0.34 -0.07 -0.34 0.00 0.00 178.44 178.24 1u0e h LEU 296 N -0.19 0.41 -0.93 2.25 3.38 -1.10 -2.43 115.31 116.70 1u0e h LEU 296 Ca 0.07 0.08 -0.05 0.00 0.09 0.00 0.00 57.88 58.07 1u0e h LEU 296 Cb 0.29 0.01 -0.03 0.00 0.09 0.00 0.00 40.66 41.03 1u0e h LEU 296 CO -0.19 0.21 0.24 -1.28 0.09 0.00 0.00 178.44 177.51 1u0e h SER 297 N 0.55 0.94 -0.57 -0.43 0.87 -0.47 -0.48 113.55 113.96 1u0e h SER 297 Ca 0.37 -0.15 -0.09 0.00 -1.23 0.00 0.00 61.79 60.69 1u0e h SER 297 Cb 0.45 -0.24 -0.02 0.00 -0.44 0.00 0.00 62.40 62.15 1u0e h SER 297 CO -0.31 0.86 0.02 1.23 -0.53 0.00 0.00 176.83 178.10 1u0e h GLY 298 N 1.06 1.08 0.96 5.77 0.00 -0.81 -0.91 103.07 110.22 1u0e h GLY 298 Ca 0.22 -0.78 -0.02 0.00 0.00 0.00 0.00 47.33 46.75 1u0e h GLY 298 CO -0.01 0.72 0.19 0.00 0.00 0.00 0.00 176.54 177.44 1u0e h ALA 299 N 0.98 0.53 -0.85 3.60 0.00 -1.12 -2.16 119.26 120.24 1u0e h ALA 299 Ca 0.16 -0.11 0.10 0.00 0.00 0.00 0.00 54.91 55.06 1u0e h ALA 299 Cb 0.53 -0.16 -0.08 0.00 0.00 0.00 0.00 17.79 18.08 1u0e h ALA 299 CO 0.03 0.10 0.49 1.25 0.00 0.00 0.00 179.25 181.12 1u0e h HIS 300 N 0.53 0.89 -0.05 0.00 6.17 -0.79 0.27 115.15 122.17 1u0e h HIS 300 Ca 0.14 0.03 0.01 0.00 0.71 0.00 0.00 60.37 61.26 1u0e h HIS 300 Cb 0.13 -0.27 -0.01 0.00 2.52 0.00 0.00 27.41 29.78 1u0e h HIS 300 CO -0.01 0.35 0.01 2.35 0.71 0.00 0.00 177.93 181.34 1u0e h TRP 301 N 0.81 0.01 -0.47 5.26 7.01 -0.80 -0.74 115.95 127.04 1u0e h TRP 301 Ca 0.42 0.00 -0.05 0.00 2.11 0.00 0.00 58.89 61.38 1u0e h TRP 301 Cb 0.40 0.00 -0.02 0.00 -2.10 0.00 0.00 29.16 27.44 1u0e h TRP 301 CO -0.05 0.00 0.10 1.98 -2.79 0.00 0.00 178.44 177.68 1u0e h MET 302 N 0.03 0.71 -0.46 2.65 4.05 -0.74 -0.50 114.93 120.67 1u0e h MET 302 Ca 0.02 -0.14 0.04 0.00 -0.28 0.00 0.00 59.70 59.35 1u0e h MET 302 Cb 0.02 -0.11 -0.04 0.00 -0.80 0.00 0.00 31.60 30.67 1u0e h MET 302 CO -0.03 0.65 0.21 -0.44 0.23 0.00 0.00 176.91 177.53 1u0e h ASP 303 N 0.69 0.29 -0.20 1.39 3.32 -0.08 -0.69 116.42 121.14 1u0e h ASP 303 Ca 0.15 0.03 -0.12 0.00 0.02 0.00 0.00 57.03 57.11 1u0e h ASP 303 Cb 0.27 -0.02 -0.01 0.00 0.22 0.00 0.00 39.33 39.79 1u0e h ASP 303 CO -0.00 0.21 -0.30 1.56 -1.72 0.00 0.00 179.24 178.98 1u0e h GLN 304 N 0.42 0.70 -0.69 3.56 1.08 -0.65 -0.31 115.11 119.22 1u0e h GLN 304 Ca 0.20 -0.31 0.01 0.00 -1.45 0.00 0.00 58.65 57.10 1u0e h GLN 304 Cb 0.14 -0.02 -0.04 0.00 -0.05 0.00 0.00 27.48 27.51 1u0e h GLN 304 CO -0.16 0.92 0.45 1.25 -0.95 0.00 0.00 178.83 180.34 1u0e h HIS 305 N 0.60 0.85 -0.26 2.96 2.76 -0.81 -0.64 115.15 120.61 1u0e h HIS 305 Ca 0.07 0.02 -0.16 0.00 -2.20 0.00 0.00 60.37 58.10 1u0e h HIS 305 Cb 0.81 -0.29 0.00 0.00 1.55 0.00 0.00 27.41 29.49 1u0e h HIS 305 CO 0.04 0.53 -0.48 0.35 -1.30 0.00 0.00 177.93 177.07 1u0e h PHE 306 N 0.91 0.98 -0.54 5.26 3.57 -0.76 -2.58 116.94 123.78 1u0e h PHE 306 Ca 0.26 -0.35 -0.09 0.00 3.53 0.00 0.00 57.97 61.32 1u0e h PHE 306 Cb -0.08 -0.18 -0.02 0.00 2.79 0.00 0.00 35.95 38.46 1u0e h PHE 306 CO -0.03 1.15 -0.01 1.25 -2.23 0.00 0.00 178.31 178.44 1u0e h LEU 307 N 0.52 0.92 -0.25 0.59 5.85 -0.88 -3.36 115.31 118.70 1u0e h LEU 307 Ca 0.01 -0.25 0.00 0.00 0.84 0.00 0.00 57.88 58.48 1u0e h LEU 307 Cb 1.09 -0.25 0.00 0.00 0.37 0.00 0.00 40.66 41.87 1u0e h LEU 307 CO 0.11 0.99 -0.52 0.29 -0.34 0.00 0.00 178.44 178.97 1u0e n LYS 308 N -4.19 2.44 -3.60 1.25 4.76 -0.26 -4.98 118.16 113.59 1u0e n LYS 308 Ca 0.03 -0.22 -0.37 0.00 -2.87 0.00 0.00 58.31 54.88 1u0e n LYS 308 Cb 0.34 -1.14 -0.07 0.00 -1.84 0.00 0.00 35.03 32.32 1u0e n LYS 308 CO 0.00 0.00 0.00 0.99 -1.37 0.00 0.00 177.40 177.02 1u0e s THR 309 N -2.07 5.29 0.42 -0.18 2.01 -0.97 -5.07 115.64 115.07 1u0e s THR 309 Ca 0.07 0.54 -0.25 0.00 0.31 0.00 0.00 61.69 62.36 1u0e s THR 309 Cb 0.10 -3.60 -0.10 0.00 0.01 0.00 0.00 72.50 68.91 1u0e s THR 309 CO 0.48 0.47 1.10 -2.65 -0.69 0.00 0.00 174.62 173.33 1u0e n PRO 310 N 2.92 1.53 -0.27 4.92 -0.02 -1.26 -4.71 135.00 138.10 1u0e n PRO 310 Ca -0.14 0.55 0.09 0.00 -2.02 0.00 0.00 63.50 61.97 1u0e n PRO 310 Cb 0.52 -2.15 0.23 0.00 -0.02 0.00 0.00 33.50 32.09 1u0e n PRO 310 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 1u0e h LEU 311 N 1.71 0.14 0.00 2.45 3.38 -1.97 -1.43 115.31 119.60 1u0e h LEU 311 Ca -0.45 0.15 0.00 0.00 0.09 0.00 0.00 57.88 57.67 1u0e h LEU 311 Cb 1.32 0.17 0.00 0.00 0.09 0.00 0.00 40.66 42.25 1u0e h LEU 311 CO 0.58 -0.02 0.00 -0.62 0.09 0.00 0.00 178.44 178.47 1u0e n GLU 312 N -5.11 0.16 -0.12 1.13 4.71 -1.26 -2.32 120.64 117.83 1u0e n GLU 312 Ca 0.17 0.14 0.05 0.00 -0.01 0.00 0.00 57.16 57.52 1u0e n GLU 312 Cb 0.54 -1.50 0.07 0.00 -1.01 0.00 0.00 31.44 29.54 1u0e n GLU 312 CO 0.00 0.00 0.00 1.63 0.09 0.00 0.00 177.13 178.85 1u0e n LYS 313 N -1.37 1.35 -3.43 3.49 5.02 -0.57 -5.02 118.16 117.63 1u0e n LYS 313 Ca 0.07 -1.88 -0.41 0.00 -2.02 0.00 0.00 58.31 54.07 1u0e n LYS 313 Cb 0.17 -1.12 -0.10 0.00 -0.02 0.00 0.00 35.03 33.96 1u0e n LYS 313 CO 0.00 0.00 0.00 1.21 -0.52 0.00 0.00 177.40 178.09 1u0e s ASN 314 N -1.87 6.14 0.10 4.39 3.84 -0.98 -4.89 114.94 121.66 1u0e s ASN 314 Ca 0.16 -0.49 -0.33 0.00 0.21 0.00 0.00 52.86 52.41 1u0e s ASN 314 Cb 0.14 -2.18 -0.14 0.00 -0.55 0.00 0.00 41.25 38.52 1u0e s ASN 314 CO 0.02 -0.38 1.58 0.00 -2.79 0.00 0.00 177.10 175.53 1u0e h ALA 315 N 8.55 -0.91 -0.20 1.71 0.00 -1.90 -0.98 119.26 125.53 1u0e h ALA 315 Ca -0.29 -0.13 -0.02 0.00 0.00 0.00 0.00 54.91 54.47 1u0e h ALA 315 Cb 1.14 0.67 -0.01 0.00 0.00 0.00 0.00 17.79 19.58 1u0e h ALA 315 CO 0.70 -1.06 0.05 -1.00 0.00 0.00 0.00 179.25 177.95 1u0e h PRO 316 N -0.82 0.28 -0.02 0.00 0.13 -1.94 -1.92 132.00 127.71 1u0e h PRO 316 Ca -0.02 -0.03 -0.00 0.00 -0.87 0.00 0.00 66.00 65.07 1u0e h PRO 316 Cb 0.76 -0.06 -0.00 0.00 0.13 0.00 0.00 31.00 31.83 1u0e h PRO 316 CO -0.12 0.26 0.01 0.28 -0.23 0.00 0.00 178.00 178.19 1u0e h VAL 317 N 0.28 1.12 -0.68 1.56 2.07 -1.74 -1.28 116.25 117.59 1u0e h VAL 317 Ca 0.07 -0.35 -0.05 0.00 0.82 0.00 0.00 66.70 67.20 1u0e h VAL 317 Cb 0.10 1.32 -0.03 0.00 -1.52 0.00 0.00 31.29 31.17 1u0e h VAL 317 CO -0.00 0.09 0.22 -0.07 0.02 0.00 0.00 177.57 177.83 1u0e h LEU 318 N -0.12 0.95 -0.64 2.57 3.38 -0.83 0.28 115.31 120.91 1u0e h LEU 318 Ca 0.01 -0.16 -0.06 0.00 0.09 0.00 0.00 57.88 57.76 1u0e h LEU 318 Cb 0.14 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.62 1u0e h LEU 318 CO -0.00 0.88 0.16 -0.07 0.09 0.00 0.00 178.44 179.50 1u0e h LEU 319 N 0.99 0.96 -0.26 1.67 3.38 -1.27 -1.35 115.31 119.43 1u0e h LEU 319 Ca 0.22 -0.23 -0.01 0.00 0.09 0.00 0.00 57.88 57.95 1u0e h LEU 319 Cb 0.26 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.75 1u0e h LEU 319 CO -0.01 0.94 0.11 0.00 0.09 0.00 0.00 178.44 179.56 1u0e h ALA 320 N 1.06 0.33 -0.46 1.53 0.00 -0.57 -2.16 119.26 118.99 1u0e h ALA 320 Ca 0.20 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 1u0e h ALA 320 Cb 0.35 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 1u0e h ALA 320 CO 0.00 -0.08 0.24 -0.07 0.00 0.00 0.00 179.25 179.34 1u0e h LEU 321 N 0.27 0.59 -0.90 0.00 3.38 -0.75 -0.95 115.31 116.94 1u0e h LEU 321 Ca 0.09 -0.10 0.08 0.00 0.09 0.00 0.00 57.88 58.03 1u0e h LEU 321 Cb 0.16 -0.15 -0.07 0.00 0.09 0.00 0.00 40.66 40.69 1u0e h LEU 321 CO -0.01 0.53 0.56 -0.07 0.09 0.00 0.00 178.44 179.53 1u0e h LEU 322 N 0.61 0.86 -0.20 1.67 3.38 -1.18 -0.24 115.31 120.20 1u0e h LEU 322 Ca 0.16 0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.16 1u0e h LEU 322 Cb 0.08 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.67 1u0e h LEU 322 CO -0.02 0.52 0.13 1.23 0.09 0.00 0.00 178.44 180.39 1u0e h GLY 323 N 0.98 0.29 0.53 0.83 0.00 -0.85 -1.82 103.07 103.03 1u0e h GLY 323 Ca 0.41 -0.11 0.07 0.00 0.00 0.00 0.00 47.33 47.70 1u0e h GLY 323 CO -0.20 0.11 0.20 -2.22 0.00 0.00 0.00 176.54 174.42 1u0e h ILE 324 N 0.27 0.83 -0.44 2.60 1.08 -0.47 0.23 117.51 121.62 1u0e h ILE 324 Ca 0.07 -0.13 0.08 0.00 -0.39 0.00 0.00 64.86 64.49 1u0e h ILE 324 Cb -0.02 0.42 -0.06 0.00 -3.07 0.00 0.00 36.82 34.09 1u0e h ILE 324 CO -0.02 0.07 0.06 -0.25 -0.69 0.00 0.00 178.15 177.33 1u0e h TRP 325 N 0.38 0.09 0.01 1.37 -0.00 -0.79 0.30 115.95 117.32 1u0e h TRP 325 Ca 0.25 0.03 -0.20 0.00 -0.00 0.00 0.00 58.89 58.97 1u0e h TRP 325 Cb 0.26 0.03 -0.01 0.00 -0.00 0.00 0.00 29.16 29.43 1u0e h TRP 325 CO -0.16 -0.02 -0.91 1.88 -0.00 0.00 0.00 178.44 179.23 1u0e h TYR 326 N 0.19 0.28 0.01 2.65 0.05 -0.69 -2.23 116.97 117.22 1u0e h TYR 326 Ca 0.22 -0.16 -0.00 0.00 0.05 0.00 0.00 58.73 58.84 1u0e h TYR 326 Cb 0.29 -0.03 0.00 0.00 1.01 0.00 0.00 36.73 38.00 1u0e h TYR 326 CO -0.23 0.99 -0.00 0.82 -1.05 0.00 0.00 178.16 178.68 1u0e h ILE 327 N 0.09 1.14 0.00 -2.88 2.04 -0.22 0.14 117.51 117.82 1u0e h ILE 327 Ca -0.05 -1.83 0.00 0.00 1.00 0.00 0.00 64.86 63.98 1u0e h ILE 327 Cb 1.55 2.15 0.00 0.00 -0.74 0.00 0.00 36.82 39.78 1u0e h ILE 327 CO 0.14 0.38 -0.98 0.59 0.00 0.00 0.00 178.15 178.28 1u0e n ASN 328 N -4.68 0.78 -0.11 1.72 5.03 0.10 -2.44 115.26 115.66 1u0e n ASN 328 Ca -0.06 0.24 -0.23 0.00 0.87 0.00 0.00 54.58 55.39 1u0e n ASN 328 Cb 0.31 0.48 -0.08 0.00 -1.02 0.00 0.00 39.78 39.47 1u0e n ASN 328 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1u0e h TYR 330 N -0.79 0.00 -0.71 0.00 0.05 -1.33 -3.48 116.97 110.72 1u0e h TYR 330 Ca -0.54 0.00 -0.11 0.00 0.05 0.00 0.00 58.73 58.13 1u0e h TYR 330 Cb 1.47 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 39.20 1u0e h TYR 330 CO -0.08 0.00 -0.14 0.41 -1.05 0.00 0.00 178.16 177.31 1u0e n GLY 331 N 1.15 0.25 3.69 3.88 0.00 -0.37 -4.97 105.19 108.82 1u0e n GLY 331 Ca 0.03 -0.68 -0.42 0.00 0.00 0.00 0.00 46.02 44.95 1u0e n GLY 331 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1u0e h GLU 333 N 7.18 0.00 -5.27 0.00 5.08 -1.89 -3.40 114.58 116.27 1u0e h GLU 333 Ca -0.35 0.00 -0.45 0.00 -1.00 0.00 0.00 59.36 57.56 1u0e h GLU 333 Cb 1.17 0.00 -0.14 0.00 0.50 0.00 0.00 28.75 30.28 1u0e h GLU 333 CO 0.85 0.40 -0.64 0.95 -1.00 0.00 0.00 179.01 179.57 1u0e s THR 334 N -3.23 1.29 -0.05 1.13 -4.23 -1.26 -0.55 115.64 108.73 1u0e s THR 334 Ca 0.03 -2.05 -0.02 0.00 -1.18 0.00 0.00 61.69 58.47 1u0e s THR 334 Cb 0.09 -2.56 0.04 0.00 1.34 0.00 0.00 72.50 71.41 1u0e s THR 334 CO 0.71 -0.19 0.10 -2.28 -0.54 0.00 0.00 174.62 172.42 1u0e s HIS 335 N -3.24 -0.07 -0.13 3.99 2.46 0.04 -4.22 115.29 114.13 1u0e s HIS 335 Ca 0.32 0.38 -0.06 0.00 0.47 0.00 0.00 55.06 56.17 1u0e s HIS 335 Cb 0.06 -0.25 -0.04 0.00 -0.13 0.00 0.00 32.58 32.22 1u0e s HIS 335 CO 0.12 -0.18 0.08 0.00 -2.47 0.00 0.00 174.74 172.29 1u0e s ALA 336 N 1.65 3.57 -0.25 1.58 0.00 -0.58 -2.32 121.76 125.41 1u0e s ALA 336 Ca -0.03 -0.72 -0.03 0.00 0.00 0.00 0.00 51.96 51.18 1u0e s ALA 336 Cb -0.12 -1.82 0.01 0.00 0.00 0.00 0.00 23.12 21.19 1u0e s ALA 336 CO -0.05 0.48 -0.03 -0.51 0.00 0.00 0.00 175.76 175.65 1u0e s LEU 337 N -0.56 3.19 -0.55 0.00 1.43 -0.29 -0.50 118.68 121.39 1u0e s LEU 337 Ca 0.11 -0.68 0.05 0.00 -1.03 0.00 0.00 54.13 52.58 1u0e s LEU 337 Cb -0.12 -1.72 0.17 0.00 0.03 0.00 0.00 46.19 44.55 1u0e s LEU 337 CO 0.02 -0.10 0.43 0.18 0.23 0.00 0.00 176.35 177.11 1u0e n LEU 338 N 4.75 1.25 -4.69 1.79 4.77 0.27 -4.01 117.00 121.13 1u0e n LEU 338 Ca -0.17 -4.79 -0.42 0.00 -0.03 0.00 0.00 56.01 50.60 1u0e n LEU 338 Cb 0.49 -0.08 -0.03 0.00 -2.33 0.00 0.00 43.42 41.47 1u0e n LEU 338 CO 0.28 1.82 0.91 -2.16 -1.33 0.00 0.00 177.39 176.92 1u0e s PRO 339 N -0.74 4.38 -1.40 3.23 0.04 -1.26 -2.09 135.00 137.17 1u0e s PRO 339 Ca 0.29 1.65 -0.10 0.00 0.04 0.00 0.00 61.00 62.88 1u0e s PRO 339 Cb 0.01 -3.52 0.08 0.00 0.04 0.00 0.00 34.50 31.11 1u0e s PRO 339 CO -0.18 -0.38 2.23 0.66 0.04 0.00 0.00 177.00 179.36 1u0e n TYR 340 N 4.90 3.00 -3.39 0.56 4.02 0.20 -1.18 117.16 125.28 1u0e n TYR 340 Ca 0.10 -2.90 0.02 0.00 -0.01 0.00 0.00 57.90 55.11 1u0e n TYR 340 Cb 0.47 -2.21 -0.03 0.00 -0.02 0.00 0.00 39.34 37.55 1u0e n TYR 340 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 176.86 176.19 1u0e s ASP 341 N 1.73 -1.04 0.28 7.72 2.15 -1.23 -4.70 116.67 121.59 1u0e s ASP 341 Ca 0.48 1.06 -0.01 0.00 0.43 0.00 0.00 52.55 54.52 1u0e s ASP 341 Cb 0.14 2.04 0.40 0.00 -0.30 0.00 0.00 42.92 45.19 1u0e s ASP 341 CO -0.05 -0.20 1.81 -0.61 -0.17 0.00 0.00 175.17 175.95 1u0e h GLN 342 N 7.90 0.79 -0.39 4.34 5.75 -1.85 -1.89 115.11 129.75 1u0e h GLN 342 Ca -0.19 -0.18 0.02 0.00 -0.15 0.00 0.00 58.65 58.15 1u0e h GLN 342 Cb 1.13 -0.11 -0.02 0.00 1.07 0.00 0.00 27.48 29.55 1u0e h GLN 342 CO 0.13 0.74 0.26 1.88 -2.65 0.00 0.00 178.83 179.19 1u0e h TYR 343 N 0.76 0.45 -0.06 3.99 0.99 -1.90 -1.88 116.97 119.31 1u0e h TYR 343 Ca 0.16 0.01 -0.01 0.00 2.00 0.00 0.00 58.73 60.89 1u0e h TYR 343 Cb 0.34 -0.15 -0.01 0.00 1.00 0.00 0.00 36.73 37.92 1u0e h TYR 343 CO 0.02 0.27 0.01 -1.33 -0.00 0.00 0.00 178.16 177.13 1u0e n MET 344 N -4.48 1.31 0.34 4.88 2.81 -0.71 -2.83 117.12 118.43 1u0e n MET 344 Ca 0.03 -0.28 0.23 0.00 -1.81 0.00 0.00 57.70 55.87 1u0e n MET 344 Cb 0.11 -1.48 1.20 0.00 -0.71 0.00 0.00 33.22 32.33 1u0e n MET 344 CO 0.00 0.00 0.00 1.12 1.51 0.00 0.00 175.97 178.60 1u0e h HIS 345 N 0.31 0.00 -0.39 2.03 2.07 -1.40 -0.88 115.15 116.89 1u0e h HIS 345 Ca 0.01 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.53 1u0e h HIS 345 Cb 0.74 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.72 1u0e h HIS 345 CO 0.11 0.00 0.00 0.54 -3.07 0.00 0.00 177.93 175.51 1u0e n ARG 346 N -3.08 3.35 -0.07 5.12 5.12 -1.26 -4.63 116.66 121.21 1u0e n ARG 346 Ca -0.03 -2.74 -0.14 0.00 -1.93 0.00 0.00 57.85 53.01 1u0e n ARG 346 Cb 0.08 -1.80 -0.06 0.00 -1.16 0.00 0.00 32.46 29.52 1u0e n ARG 346 CO 0.00 0.00 0.00 0.35 -1.93 0.00 0.00 177.63 176.05 1u0e h PHE 347 N 2.58 0.64 -0.52 -1.55 3.57 -1.50 -1.87 116.94 118.29 1u0e h PHE 347 Ca 0.00 -0.21 -0.01 0.00 3.53 0.00 0.00 57.97 61.28 1u0e h PHE 347 Cb 1.38 -0.13 -0.02 0.00 2.79 0.00 0.00 35.95 39.97 1u0e h PHE 347 CO 0.58 0.91 0.27 0.00 -2.23 0.00 0.00 178.31 177.84 1u0e h ALA 348 N 0.62 0.67 -0.92 2.41 0.00 -1.82 -2.24 119.26 117.98 1u0e h ALA 348 Ca 0.02 -0.11 0.01 0.00 0.00 0.00 0.00 54.91 54.83 1u0e h ALA 348 Cb 0.83 -0.21 -0.05 0.00 0.00 0.00 0.00 17.79 18.37 1u0e h ALA 348 CO 0.06 0.21 0.61 0.00 0.00 0.00 0.00 179.25 180.13 1u0e h ALA 349 N 1.11 1.34 -0.12 0.00 0.00 -1.84 0.85 119.26 120.59 1u0e h ALA 349 Ca 0.18 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.03 1u0e h ALA 349 Cb 0.08 -0.37 -0.01 0.00 0.00 0.00 0.00 17.79 17.49 1u0e h ALA 349 CO -0.03 0.61 0.08 -0.92 0.00 0.00 0.00 179.25 178.99 1u0e h TYR 350 N 1.25 0.15 0.00 0.00 3.20 -1.04 -2.87 116.97 117.66 1u0e h TYR 350 Ca 0.34 0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.21 1u0e h TYR 350 Cb -0.14 -0.05 0.00 0.00 1.54 0.00 0.00 36.73 38.08 1u0e h TYR 350 CO 0.00 0.10 0.00 1.19 -1.64 0.00 0.00 178.16 177.81 1u0e n PHE 351 N -5.00 0.25 -0.12 -3.82 3.01 -0.86 -1.65 117.46 109.26 1u0e n PHE 351 Ca -0.05 0.08 -0.07 0.00 1.01 0.00 0.00 57.45 58.42 1u0e n PHE 351 Cb 0.03 -0.63 0.02 0.00 -0.01 0.00 0.00 39.48 38.89 1u0e n PHE 351 CO 0.00 0.00 0.00 1.96 1.01 0.00 0.00 176.76 179.73 1u0e h GLN 352 N 0.00 0.40 -0.02 -1.08 4.20 -0.61 0.27 115.11 118.26 1u0e h GLN 352 Ca 0.00 -0.02 -0.01 0.00 0.06 0.00 0.00 58.65 58.68 1u0e h GLN 352 Cb 0.46 -0.09 -0.00 0.00 0.30 0.00 0.00 27.48 28.15 1u0e h GLN 352 CO 0.00 0.26 -0.02 0.37 -0.67 0.00 0.00 178.83 178.78 1u0e h GLN 353 N 0.41 0.05 -0.68 1.46 4.15 -1.38 -0.91 115.11 118.21 1u0e h GLN 353 Ca 0.16 -0.02 0.08 0.00 0.77 0.00 0.00 58.65 59.64 1u0e h GLN 353 Cb 0.06 -0.00 -0.07 0.00 0.21 0.00 0.00 27.48 27.69 1u0e h GLN 353 CO -0.11 0.49 0.34 0.78 -1.93 0.00 0.00 178.83 178.41 1u0e h GLY 354 N -0.39 1.00 0.00 2.39 0.00 -1.22 -1.11 103.07 103.74 1u0e h GLY 354 Ca 0.00 -0.22 -0.02 0.00 0.00 0.00 0.00 47.33 47.09 1u0e h GLY 354 CO 0.00 0.08 -0.36 -1.80 0.00 0.00 0.00 176.54 174.46 1u0e h ASP 355 N 0.60 0.00 -0.22 0.19 1.82 -1.04 -3.30 116.42 114.48 1u0e h ASP 355 Ca 0.33 -0.09 -0.10 0.00 -0.39 0.00 0.00 57.03 56.78 1u0e h ASP 355 Cb 0.31 0.00 -0.02 0.00 0.68 0.00 0.00 39.33 40.30 1u0e h ASP 355 CO -0.24 0.74 -0.18 0.24 -1.61 0.00 0.00 179.24 178.19 1u0e h MET 356 N -1.00 0.65 0.00 0.28 2.86 -1.17 0.02 114.93 116.57 1u0e h MET 356 Ca -0.03 -0.23 -0.14 0.00 -2.06 0.00 0.00 59.70 57.25 1u0e h MET 356 Cb 0.42 -0.05 -0.02 0.00 0.06 0.00 0.00 31.60 32.01 1u0e h MET 356 CO -0.02 0.79 -0.65 1.49 1.06 0.00 0.00 176.91 179.59 1u0e h GLU 357 N 0.58 0.00 0.08 1.72 4.81 -1.29 -0.92 114.58 119.56 1u0e h GLU 357 Ca 0.09 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.32 1u0e h GLU 357 Cb 0.63 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.01 1u0e h GLU 357 CO 0.04 0.65 -0.04 0.77 -0.73 0.00 0.00 179.01 179.70 1u0e h SER 358 N 0.00 -0.09 -0.11 1.04 0.02 -1.50 -3.40 113.55 109.51 1u0e h SER 358 Ca -0.01 -0.51 0.00 0.00 -0.84 0.00 0.00 61.79 60.44 1u0e h SER 358 Cb 1.26 0.02 0.00 0.00 0.14 0.00 0.00 62.40 63.82 1u0e h SER 358 CO 0.08 0.52 0.00 0.59 -1.14 0.00 0.00 176.83 176.89 1u0e n ASN 359 N -4.84 2.30 -4.06 3.07 3.02 -0.06 -4.10 115.26 110.59 1u0e n ASN 359 Ca -0.08 -1.64 -0.40 0.00 -0.03 0.00 0.00 54.58 52.42 1u0e n ASN 359 Cb 0.29 -0.07 -0.03 0.00 -0.61 0.00 0.00 39.78 39.37 1u0e n ASN 359 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1u0e n GLY 360 N 0.70 2.85 3.07 7.41 0.00 -0.35 -1.63 105.19 117.24 1u0e n GLY 360 Ca 0.09 -1.31 -0.09 0.00 0.00 0.00 0.00 46.02 44.71 1u0e n GLY 360 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1u0e s LYS 361 N 4.54 0.57 0.00 1.61 -0.14 -1.26 -4.97 119.74 120.09 1u0e s LYS 361 Ca 0.55 -1.04 0.00 0.00 -1.36 0.00 0.00 55.97 54.13 1u0e s LYS 361 Cb 0.09 0.06 0.00 0.00 -1.68 0.00 0.00 37.83 36.30 1u0e s LYS 361 CO 0.05 -0.06 0.20 2.48 -0.76 0.00 0.00 175.35 177.26 1u0e n TYR 362 N 0.60 0.00 -5.14 3.18 0.18 -1.26 -4.72 117.16 110.00 1u0e n TYR 362 Ca -0.17 -0.02 -0.32 0.00 1.88 0.00 0.00 57.90 59.27 1u0e n TYR 362 Cb 0.59 -0.00 -0.16 0.00 -0.38 0.00 0.00 39.34 39.38 1u0e n TYR 362 CO 0.00 0.00 0.00 0.42 -2.08 0.00 0.00 176.86 175.20 1u0e s ILE 363 N -0.04 2.29 0.67 -3.48 -1.09 -1.26 -1.09 121.20 117.20 1u0e s ILE 363 Ca 0.00 -0.95 -0.02 0.00 -2.23 0.00 0.00 60.65 57.45 1u0e s ILE 363 Cb 0.00 -1.88 0.09 0.00 -1.58 0.00 0.00 42.46 39.09 1u0e s ILE 363 CO 0.00 0.56 0.94 0.42 -1.23 0.00 0.00 174.94 175.63 1u0e s THR 364 N 0.12 2.32 0.56 2.92 -4.23 -0.17 -4.50 115.64 112.67 1u0e s THR 364 Ca -0.11 -0.54 0.26 0.00 -1.18 0.00 0.00 61.69 60.11 1u0e s THR 364 Cb -0.16 -2.78 0.36 0.00 1.34 0.00 0.00 72.50 71.26 1u0e s THR 364 CO 0.06 0.00 2.07 0.50 -0.54 0.00 0.00 174.62 176.72 1u0e h LYS 365 N -0.39 0.00 -0.00 3.99 3.64 -1.13 -0.04 116.57 122.64 1u0e h LYS 365 Ca -0.40 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.98 1u0e h LYS 365 Cb 1.28 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.10 1u0e h LYS 365 CO 0.47 0.00 -0.19 -1.13 -2.27 0.00 0.00 179.45 176.33 1u0e n SER 366 N -4.08 0.23 0.00 4.20 3.41 -1.26 -4.90 113.62 111.21 1u0e n SER 366 Ca 0.03 0.12 0.00 0.00 -0.26 0.00 0.00 58.87 58.76 1u0e n SER 366 Cb 0.37 -0.18 0.00 0.00 -0.26 0.00 0.00 64.21 64.14 1u0e n SER 366 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1u0e n GLY 367 N 1.48 0.70 3.77 5.00 0.00 -0.03 -5.06 105.19 111.04 1u0e n GLY 367 Ca 0.07 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.71 1u0e n GLY 367 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1u0e s ALA 368 N -2.44 3.10 -0.08 4.61 0.00 -1.26 -4.70 121.76 120.99 1u0e s ALA 368 Ca 0.00 1.02 -0.29 0.00 0.00 0.00 0.00 51.96 52.69 1u0e s ALA 368 Cb 0.00 -3.41 -0.02 0.00 0.00 0.00 0.00 23.12 19.70 1u0e s ALA 368 CO 0.00 -0.66 0.99 0.50 0.00 0.00 0.00 175.76 176.59 1u0e s ARG 369 N -2.44 4.45 0.41 0.00 3.52 -1.26 -1.00 118.95 122.63 1u0e s ARG 369 Ca 0.60 1.39 -0.26 0.00 -0.13 0.00 0.00 55.73 57.32 1u0e s ARG 369 Cb -0.32 -3.52 -0.10 0.00 -1.56 0.00 0.00 34.95 29.45 1u0e s ARG 369 CO 0.40 -0.25 1.28 1.33 -0.81 0.00 0.00 175.30 177.25 1u0e n VAL 370 N 4.39 2.46 -1.61 7.11 0.24 -0.25 -4.58 118.33 126.09 1u0e n VAL 370 Ca 0.08 -0.50 -0.07 0.00 -2.04 0.00 0.00 64.34 61.81 1u0e n VAL 370 Cb 0.49 -1.58 0.16 0.00 -1.47 0.00 0.00 33.84 31.44 1u0e n VAL 370 CO 0.00 0.00 0.00 -0.90 -2.14 0.00 0.00 176.83 173.79 1u0e n ASP 371 N 0.29 3.00 -3.80 -1.34 5.75 -1.26 -5.00 116.55 114.20 1u0e n ASP 371 Ca 0.06 -3.82 -0.10 0.00 -0.01 0.00 0.00 54.79 50.92 1u0e n ASP 371 Cb 0.39 -0.57 -0.06 0.00 -1.03 0.00 0.00 41.12 39.86 1u0e n ASP 371 CO 0.00 0.00 0.00 -1.38 -0.11 0.00 0.00 177.20 175.71 1u0e s HIS 372 N -3.35 0.06 0.49 2.11 -3.43 -1.26 -5.05 115.29 104.86 1u0e s HIS 372 Ca 0.45 -0.42 -0.22 0.00 -0.80 0.00 0.00 55.06 54.07 1u0e s HIS 372 Cb 0.40 0.13 -0.06 0.00 -1.43 0.00 0.00 32.58 31.62 1u0e s HIS 372 CO -0.02 -0.72 1.23 -0.65 -2.00 0.00 0.00 174.74 172.58 1u0e s GLN 373 N -3.88 3.55 0.00 -0.38 -1.52 -1.26 -5.05 119.66 111.11 1u0e s GLN 373 Ca 0.09 1.92 0.00 0.00 -1.95 0.00 0.00 55.36 55.42 1u0e s GLN 373 Cb 0.02 -2.35 0.00 0.00 -0.22 0.00 0.00 33.01 30.46 1u0e s GLN 373 CO -0.06 -0.77 0.00 0.25 -0.25 0.00 0.00 175.29 174.46 1u0e n THR 374 N -0.68 0.00 -1.63 -0.19 -2.24 -1.26 -4.89 114.28 103.38 1u0e n THR 374 Ca 0.08 0.00 -0.40 0.00 -2.27 0.00 0.00 64.05 61.46 1u0e n THR 374 Cb 0.47 0.00 0.03 0.00 -2.10 0.00 0.00 70.33 68.73 1u0e n THR 374 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1u0e n GLY 375 N 5.00 -0.08 3.92 3.38 0.00 -0.65 -4.99 105.19 111.77 1u0e n GLY 375 Ca 0.00 0.06 -0.27 0.00 0.00 0.00 0.00 46.02 45.81 1u0e n GLY 375 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1u0e s PRO 376 N -2.30 2.69 -0.18 1.61 0.04 -1.26 -4.81 135.00 130.79 1u0e s PRO 376 Ca 0.67 -0.04 -0.29 0.00 0.04 0.00 0.00 61.00 61.38 1u0e s PRO 376 Cb -0.50 -2.22 -0.00 0.00 0.04 0.00 0.00 34.50 31.82 1u0e s PRO 376 CO 0.54 -0.90 1.00 0.42 0.04 0.00 0.00 177.00 178.10 1u0e s ILE 377 N -3.10 4.75 -0.13 0.56 1.01 0.29 -4.65 121.20 119.92 1u0e s ILE 377 Ca 0.56 1.98 -0.09 0.00 0.00 0.00 0.00 60.65 63.11 1u0e s ILE 377 Cb -0.11 -4.29 -0.04 0.00 0.01 0.00 0.00 42.46 38.03 1u0e s ILE 377 CO 0.46 -0.08 0.16 -0.69 0.00 0.00 0.00 174.94 174.79 1u0e s VAL 378 N 2.61 5.44 0.32 2.92 1.01 -1.26 -0.78 120.40 130.67 1u0e s VAL 378 Ca 0.45 0.27 -0.15 0.00 0.00 0.00 0.00 61.98 62.54 1u0e s VAL 378 Cb -0.16 -3.45 0.03 0.00 0.00 0.00 0.00 36.38 32.79 1u0e s VAL 378 CO 0.11 0.56 0.67 -1.66 0.00 0.00 0.00 175.10 174.78 1u0e s TRP 379 N -0.62 0.18 0.00 5.22 1.48 -0.98 -4.75 118.94 119.46 1u0e s TRP 379 Ca 0.14 -0.67 0.00 0.00 -1.06 0.00 0.00 56.10 54.51 1u0e s TRP 379 Cb -0.12 0.56 0.00 0.00 -1.16 0.00 0.00 33.47 32.75 1u0e s TRP 379 CO 0.03 -1.30 0.00 0.41 -4.06 0.00 0.00 176.95 172.03 1u0e n GLY 380 N -0.48 3.67 3.18 3.67 0.00 -1.26 -1.14 105.19 112.83 1u0e n GLY 380 Ca -0.04 -1.33 -0.14 0.00 0.00 0.00 0.00 46.02 44.50 1u0e n GLY 380 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1u0e s GLU 381 N -2.48 0.85 0.50 1.61 0.41 -1.26 -4.81 118.70 113.53 1u0e s GLU 381 Ca 0.00 -1.17 -0.23 0.00 -0.41 0.00 0.00 54.97 53.17 1u0e s GLU 381 Cb 0.00 -0.53 -0.06 0.00 -1.78 0.00 0.00 34.13 31.76 1u0e s GLU 381 CO 0.00 0.08 1.27 -1.25 -0.49 0.00 0.00 175.26 174.87 1u0e s PRO 382 N -2.83 3.48 0.44 0.39 0.04 -1.26 -4.35 135.00 130.91 1u0e s PRO 382 Ca 0.06 2.03 -0.22 0.00 0.04 0.00 0.00 61.00 62.90 1u0e s PRO 382 Cb -0.03 -2.36 -0.09 0.00 0.04 0.00 0.00 34.50 32.06 1u0e s PRO 382 CO -0.00 -0.85 1.04 0.20 0.04 0.00 0.00 177.00 177.43 1u0e s GLY 383 N -1.11 2.62 0.00 0.56 0.00 -0.32 -1.20 107.32 107.87 1u0e s GLY 383 Ca 0.67 0.64 0.24 0.00 0.00 0.00 0.00 44.72 46.27 1u0e s GLY 383 CO 0.42 1.02 1.69 -1.30 0.00 0.00 0.00 173.10 174.93 1u0e n THR 384 N -0.47 0.10 0.07 0.90 -2.24 -1.26 -3.48 114.28 107.91 1u0e n THR 384 Ca 0.07 -0.24 -0.12 0.00 -2.27 0.00 0.00 64.05 61.48 1u0e n THR 384 Cb 0.51 0.25 -0.05 0.00 -2.10 0.00 0.00 70.33 68.94 1u0e n THR 384 CO 0.00 0.00 0.00 0.78 -0.57 0.00 0.00 175.07 175.28 1u0e h ASN 385 N 1.79 -0.89 -0.22 3.42 2.35 -1.66 -1.81 115.58 118.56 1u0e h ASN 385 Ca 0.00 0.11 -0.00 0.00 -0.55 0.00 0.00 56.30 55.86 1u0e h ASN 385 Cb 0.39 0.35 -0.01 0.00 0.05 0.00 0.00 38.32 39.10 1u0e h ASN 385 CO 0.00 -0.37 0.14 1.23 -1.65 0.00 0.00 177.43 176.78 1u0e h GLY 386 N -0.47 0.33 0.96 2.83 0.00 -1.35 -1.98 103.07 103.39 1u0e h GLY 386 Ca 0.05 -0.13 0.04 0.00 0.00 0.00 0.00 47.33 47.29 1u0e h GLY 386 CO -0.24 0.12 0.60 -1.61 0.00 0.00 0.00 176.54 175.42 1u0e h GLN 387 N 0.31 1.12 -0.23 4.80 4.15 -1.59 -1.21 115.11 122.46 1u0e h GLN 387 Ca 0.08 -0.07 0.00 0.00 0.77 0.00 0.00 58.65 59.44 1u0e h GLN 387 Cb -0.01 -0.25 0.00 0.00 0.21 0.00 0.00 27.48 27.43 1u0e h GLN 387 CO -0.02 0.74 0.00 0.72 -1.93 0.00 0.00 178.83 178.34 1u0e n HIS 388 N -4.44 0.29 -0.05 3.99 8.25 -0.77 -3.93 115.22 118.56 1u0e n HIS 388 Ca 0.12 -0.15 -0.08 0.00 -0.26 0.00 0.00 57.72 57.35 1u0e n HIS 388 Cb 0.11 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.19 1u0e n HIS 388 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1u0e n ALA 389 N 0.50 1.62 -0.55 -1.41 0.00 -0.56 -4.96 120.51 115.15 1u0e n ALA 389 Ca 0.16 -0.58 0.00 0.00 0.00 0.00 0.00 53.44 53.02 1u0e n ALA 389 Cb 0.36 0.13 0.00 0.00 0.00 0.00 0.00 19.45 19.93 1u0e n ALA 389 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 177.50 179.47 1u0e n PHE 390 N -4.09 0.00 0.29 0.00 1.16 -0.60 -4.74 117.46 109.48 1u0e n PHE 390 Ca -0.13 0.00 0.16 0.00 -1.87 0.00 0.00 57.45 55.61 1u0e n PHE 390 Cb 0.41 0.00 0.87 0.00 -1.61 0.00 0.00 39.48 39.15 1u0e n PHE 390 CO 0.00 0.00 0.00 1.88 -1.87 0.00 0.00 176.76 176.77 1u0e h TYR 391 N 0.00 0.00 -0.76 2.97 -1.99 -1.68 -1.55 116.97 113.96 1u0e h TYR 391 Ca 0.00 0.00 0.17 0.00 2.00 0.00 0.00 58.73 60.90 1u0e h TYR 391 Cb 0.28 0.00 -0.12 0.00 2.00 0.00 0.00 36.73 38.89 1u0e h TYR 391 CO 0.00 0.06 0.14 0.37 -0.00 0.00 0.00 178.16 178.73 1u0e h GLN 392 N 0.00 0.21 -0.33 4.88 5.75 -1.85 0.33 115.11 124.10 1u0e h GLN 392 Ca -0.00 -0.01 -0.15 0.00 -0.15 0.00 0.00 58.65 58.34 1u0e h GLN 392 Cb 0.24 -0.05 -0.01 0.00 1.07 0.00 0.00 27.48 28.73 1u0e h GLN 392 CO 0.01 0.14 -0.37 1.25 -2.65 0.00 0.00 178.83 177.20 1u0e h LEU 393 N 0.22 0.83 -0.62 -2.39 6.46 -1.64 0.03 115.31 118.20 1u0e h LEU 393 Ca 0.43 -0.37 -0.06 0.00 -0.12 0.00 0.00 57.88 57.77 1u0e h LEU 393 Cb 0.77 -0.23 -0.03 0.00 -0.73 0.00 0.00 40.66 40.45 1u0e h LEU 393 CO -0.57 1.11 0.16 0.40 -0.62 0.00 0.00 178.44 178.92 1u0e h ILE 394 N 0.65 1.25 -0.00 4.05 2.04 -1.25 0.29 117.51 124.53 1u0e h ILE 394 Ca 0.06 -0.90 -0.25 0.00 1.00 0.00 0.00 64.86 64.77 1u0e h ILE 394 Cb 0.93 0.66 0.02 0.00 -0.74 0.00 0.00 36.82 37.68 1u0e h ILE 394 CO 0.08 0.34 -1.01 0.45 0.00 0.00 0.00 178.15 178.01 1u0e h HIS 395 N 0.90 0.92 0.00 1.37 3.86 -0.88 -3.41 115.15 117.90 1u0e h HIS 395 Ca 0.19 -0.50 0.00 0.00 -1.16 0.00 0.00 60.37 58.91 1u0e h HIS 395 Cb 0.34 -0.10 0.00 0.00 1.06 0.00 0.00 27.41 28.70 1u0e h HIS 395 CO 0.02 1.33 -0.28 1.04 0.86 0.00 0.00 177.93 180.91 1u0e n GLN 396 N -3.82 0.20 0.00 2.45 6.02 -0.01 -4.63 117.38 117.59 1u0e n GLN 396 Ca -0.10 -0.96 0.00 0.00 -0.01 0.00 0.00 57.00 55.94 1u0e n GLN 396 Cb 0.87 -0.59 0.00 0.00 1.02 0.00 0.00 30.24 31.54 1u0e n GLN 396 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1u0e n GLY 397 N -0.11 0.82 0.16 1.08 0.00 0.09 -4.93 105.19 102.29 1u0e n GLY 397 Ca 0.01 -1.79 0.10 0.00 0.00 0.00 0.00 46.02 44.33 1u0e n GLY 397 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1u0e n THR 398 N 0.00 1.94 -5.05 2.61 -2.24 -1.26 -5.00 114.28 105.28 1u0e n THR 398 Ca 0.00 -2.34 -0.32 0.00 -2.27 0.00 0.00 64.05 59.12 1u0e n THR 398 Cb 0.00 -0.24 -0.15 0.00 -2.10 0.00 0.00 70.33 67.84 1u0e n THR 398 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1u0e s LYS 399 N -2.91 2.67 -0.08 -0.78 3.01 -1.26 -5.11 119.74 115.27 1u0e s LYS 399 Ca 0.33 -0.80 -0.25 0.00 -1.01 0.00 0.00 55.97 54.25 1u0e s LYS 399 Cb 0.29 -2.32 -0.03 0.00 -1.01 0.00 0.00 37.83 34.76 1u0e s LYS 399 CO 0.02 0.44 0.76 1.41 0.51 0.00 0.00 175.35 178.50 1u0e s MET 400 N -0.28 4.42 -0.32 1.68 -2.45 -1.26 -4.93 119.30 116.16 1u0e s MET 400 Ca 0.01 0.98 -0.02 0.00 -1.25 0.00 0.00 55.69 55.41 1u0e s MET 400 Cb -0.13 -3.48 0.11 0.00 1.25 0.00 0.00 34.83 32.58 1u0e s MET 400 CO 0.03 -0.04 0.14 0.42 1.05 0.00 0.00 175.02 176.62 1u0e s ILE 401 N 1.13 0.38 0.24 10.11 1.01 -1.26 -4.70 121.20 128.11 1u0e s ILE 401 Ca 0.39 -1.24 -0.31 0.00 0.00 0.00 0.00 60.65 59.50 1u0e s ILE 401 Cb -0.18 -1.30 -0.11 0.00 0.01 0.00 0.00 42.46 40.88 1u0e s ILE 401 CO 0.18 -0.76 1.55 -2.84 0.00 0.00 0.00 174.94 173.07 1u0e s PRO 402 N 1.67 4.19 -0.02 2.79 0.02 -1.26 -4.79 135.00 137.59 1u0e s PRO 402 Ca 0.11 2.44 0.06 0.00 0.02 0.00 0.00 61.00 63.62 1u0e s PRO 402 Cb -0.18 -3.09 -0.01 0.00 0.02 0.00 0.00 34.50 31.24 1u0e s PRO 402 CO -0.25 -0.57 -0.20 0.00 -0.33 0.00 0.00 177.00 175.66 1u0e s ASP 404 N -0.34 5.45 -0.21 0.00 1.01 0.35 -1.08 116.67 121.85 1u0e s ASP 404 Ca 0.05 -0.13 -0.11 0.00 0.71 0.00 0.00 52.55 53.06 1u0e s ASP 404 Cb -0.09 -1.99 -0.05 0.00 1.01 0.00 0.00 42.92 41.80 1u0e s ASP 404 CO 0.00 -0.03 0.19 -0.36 0.21 0.00 0.00 175.17 175.17 1u0e s PHE 405 N 1.63 3.39 0.00 4.23 0.40 -0.05 -0.56 117.98 127.03 1u0e s PHE 405 Ca 0.07 0.36 0.06 0.00 -0.60 0.00 0.00 56.93 56.81 1u0e s PHE 405 Cb -0.15 -2.25 -0.02 0.00 0.51 0.00 0.00 43.02 41.11 1u0e s PHE 405 CO 0.06 0.19 -0.17 -0.51 0.70 0.00 0.00 175.22 175.49 1u0e s LEU 406 N 0.65 2.08 -0.22 -0.37 1.02 -0.89 -0.45 118.68 120.50 1u0e s LEU 406 Ca 0.10 -0.37 -0.21 0.00 0.02 0.00 0.00 54.13 53.68 1u0e s LEU 406 Cb -0.12 -0.85 0.06 0.00 0.02 0.00 0.00 46.19 45.30 1u0e s LEU 406 CO 0.02 0.17 0.60 -0.51 0.02 0.00 0.00 176.35 176.65 1u0e s ILE 407 N -0.53 -0.00 0.25 -0.59 2.07 -0.70 0.61 121.20 122.31 1u0e s ILE 407 Ca 0.06 0.00 -0.30 0.00 -1.41 0.00 0.00 60.65 59.00 1u0e s ILE 407 Cb -0.07 -0.83 -0.09 0.00 0.13 0.00 0.00 42.46 41.60 1u0e s ILE 407 CO 0.00 0.00 0.99 -2.16 -1.91 0.00 0.00 174.94 171.86 1u0e s PRO 408 N 0.32 4.79 0.09 3.50 0.04 -1.26 -2.00 135.00 140.48 1u0e s PRO 408 Ca -0.00 1.58 -0.19 0.00 0.04 0.00 0.00 61.00 62.44 1u0e s PRO 408 Cb -0.04 -3.25 -0.07 0.00 0.04 0.00 0.00 34.50 31.18 1u0e s PRO 408 CO 0.01 0.42 1.56 0.28 0.04 0.00 0.00 177.00 179.32 1u0e h VAL 409 N 3.13 1.23 -3.34 -0.36 2.07 -0.73 -3.42 116.25 114.82 1u0e h VAL 409 Ca -0.46 -0.77 -0.60 0.00 0.82 0.00 0.00 66.70 65.69 1u0e h VAL 409 Cb 1.20 1.25 -0.12 0.00 -1.52 0.00 0.00 31.29 32.10 1u0e h VAL 409 CO 0.68 0.25 -0.47 -1.10 0.02 0.00 0.00 177.57 176.94 1u0e s GLN 410 N -5.18 4.17 0.36 1.57 -0.21 -0.22 -5.03 119.66 115.12 1u0e s GLN 410 Ca -0.14 -0.19 -0.12 0.00 0.02 0.00 0.00 55.36 54.93 1u0e s GLN 410 Cb 0.08 -3.45 -0.08 0.00 1.00 0.00 0.00 33.01 30.56 1u0e s GLN 410 CO 0.74 0.24 0.75 -0.08 -2.12 0.00 0.00 175.29 174.81 1u0e s THR 411 N 0.54 4.75 -0.55 -0.19 -1.32 -1.26 -4.49 115.64 113.11 1u0e s THR 411 Ca 0.09 0.75 0.25 0.00 -1.21 0.00 0.00 61.69 61.57 1u0e s THR 411 Cb -0.12 -3.67 0.26 0.00 -1.51 0.00 0.00 72.50 67.46 1u0e s THR 411 CO 0.00 -0.36 1.74 0.00 -2.21 0.00 0.00 174.62 173.79 1u0e n GLN 412 N -0.86 0.22 -3.50 7.08 1.13 -1.26 -4.38 117.38 115.81 1u0e n GLN 412 Ca 0.03 0.36 -0.27 0.00 -1.94 0.00 0.00 57.00 55.17 1u0e n GLN 412 Cb 0.54 -1.86 -0.11 0.00 0.11 0.00 0.00 30.24 28.92 1u0e n GLN 412 CO 0.00 0.00 0.00 -1.01 -1.44 0.00 0.00 177.06 174.61 1u0e s HIS 413 N -3.25 1.57 -0.81 1.08 3.76 -1.26 -5.02 115.29 111.36 1u0e s HIS 413 Ca 0.06 -2.50 -0.07 0.00 -0.15 0.00 0.00 55.06 52.40 1u0e s HIS 413 Cb 0.10 -1.29 -0.16 0.00 1.11 0.00 0.00 32.58 32.35 1u0e s HIS 413 CO 0.46 -0.77 3.05 -0.35 -0.85 0.00 0.00 174.74 176.28 1u0e n PRO 414 N 2.75 2.68 -1.28 8.40 -0.04 -1.26 -4.91 135.00 141.33 1u0e n PRO 414 Ca 0.27 -1.54 -0.31 0.00 -0.04 0.00 0.00 63.50 61.88 1u0e n PRO 414 Cb 0.45 -2.38 0.09 0.00 -0.04 0.00 0.00 33.50 31.62 1u0e n PRO 414 CO 0.00 0.00 0.00 0.96 -0.04 0.00 0.00 175.50 176.42 1u0e s ILE 415 N 1.85 3.22 -1.52 0.52 -4.36 -1.26 -3.37 121.20 116.29 1u0e s ILE 415 Ca 0.63 0.42 -0.12 0.00 -0.26 0.00 0.00 60.65 61.31 1u0e s ILE 415 Cb 0.22 -2.88 0.08 0.00 1.25 0.00 0.00 42.46 41.13 1u0e s ILE 415 CO -0.03 -0.50 0.92 0.54 0.24 0.00 0.00 174.94 176.11 1u0e n ARG 416 N -3.43 -5.22 -3.05 0.37 5.12 -1.26 -1.18 116.66 108.01 1u0e n ARG 416 Ca 0.09 0.58 -0.21 0.00 -1.93 0.00 0.00 57.85 56.39 1u0e n ARG 416 Cb 0.53 -5.40 0.01 0.00 -1.16 0.00 0.00 32.46 26.44 1u0e n ARG 416 CO 0.00 0.00 0.00 1.63 -1.93 0.00 0.00 177.63 177.33 1u0e n LYS 417 N -4.61 -3.49 -0.44 5.56 5.02 -1.24 -1.84 118.16 117.13 1u0e n LYS 417 Ca -0.00 0.63 0.00 0.00 -2.02 0.00 0.00 58.31 56.91 1u0e n LYS 417 Cb 0.54 -5.35 0.00 0.00 -0.02 0.00 0.00 35.03 30.20 1u0e n LYS 417 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1u0e n GLY 418 N -1.18 0.75 0.13 0.72 0.00 -0.32 -4.99 105.19 100.31 1u0e n GLY 418 Ca -0.07 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.85 1u0e n GLY 418 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1u0e h LEU 419 N 0.00 0.32 -0.53 0.99 5.85 -1.31 -0.89 115.31 119.74 1u0e h LEU 419 Ca 0.00 -0.05 -0.00 0.00 0.84 0.00 0.00 57.88 58.67 1u0e h LEU 419 Cb 0.00 -0.08 -0.03 0.00 0.37 0.00 0.00 40.66 40.92 1u0e h LEU 419 CO 0.00 0.28 0.33 0.45 -0.34 0.00 0.00 178.44 179.16 1u0e h HIS 420 N 0.33 0.69 -0.21 1.25 3.86 -1.84 -2.38 115.15 116.84 1u0e h HIS 420 Ca 0.09 0.00 -0.13 0.00 -1.16 0.00 0.00 60.37 59.17 1u0e h HIS 420 Cb 0.02 -0.23 -0.01 0.00 1.06 0.00 0.00 27.41 28.25 1u0e h HIS 420 CO -0.04 0.47 -0.42 1.25 0.86 0.00 0.00 177.93 180.04 1u0e h HIS 421 N 0.72 0.61 -0.38 2.45 -0.00 -1.83 -0.80 115.15 115.92 1u0e h HIS 421 Ca 0.19 -0.18 0.03 0.00 -0.00 0.00 0.00 60.37 60.41 1u0e h HIS 421 Cb -0.03 -0.13 -0.03 0.00 -0.00 0.00 0.00 27.41 27.21 1u0e h HIS 421 CO -0.03 0.85 0.19 -0.22 -0.00 0.00 0.00 177.93 178.72 1u0e h LYS 422 N 0.42 0.38 -0.29 5.26 3.64 -1.01 0.14 116.57 125.11 1u0e h LYS 422 Ca 0.03 -0.02 -0.02 0.00 -1.27 0.00 0.00 60.65 59.37 1u0e h LYS 422 Cb 0.92 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 32.64 1u0e h LYS 422 CO 0.08 0.25 0.11 0.82 -2.27 0.00 0.00 179.45 178.44 1u0e h ILE 423 N 0.39 1.18 -0.26 2.00 2.04 -1.23 -1.06 117.51 120.58 1u0e h ILE 423 Ca 0.16 -0.54 0.05 0.00 1.00 0.00 0.00 64.86 65.54 1u0e h ILE 423 Cb 0.07 1.00 -0.05 0.00 -0.74 0.00 0.00 36.82 37.10 1u0e h ILE 423 CO -0.12 0.18 -0.07 0.25 0.00 0.00 0.00 178.15 178.40 1u0e h LEU 424 N 0.31 -0.26 -0.61 1.44 5.85 -0.91 -1.17 115.31 119.96 1u0e h LEU 424 Ca 0.10 0.08 0.03 0.00 0.84 0.00 0.00 57.88 58.92 1u0e h LEU 424 Cb 0.18 0.17 -0.04 0.00 0.37 0.00 0.00 40.66 41.34 1u0e h LEU 424 CO -0.01 -0.09 0.37 -0.07 -0.34 0.00 0.00 178.44 178.30 1u0e h LEU 425 N -0.01 0.60 -0.76 2.25 3.38 -0.63 -0.88 115.31 119.26 1u0e h LEU 425 Ca 0.12 0.00 0.03 0.00 0.09 0.00 0.00 57.88 58.13 1u0e h LEU 425 Cb 0.20 -0.12 -0.05 0.00 0.09 0.00 0.00 40.66 40.78 1u0e h LEU 425 CO -0.27 0.42 0.48 0.00 0.09 0.00 0.00 178.44 179.16 1u0e h ALA 426 N 1.27 0.99 -0.38 1.53 0.00 -0.70 0.27 119.26 122.24 1u0e h ALA 426 Ca 0.25 -0.03 -0.07 0.00 0.00 0.00 0.00 54.91 55.06 1u0e h ALA 426 Cb 0.03 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 1u0e h ALA 426 CO -0.11 0.29 -0.03 -0.91 0.00 0.00 0.00 179.25 178.48 1u0e h ASN 427 N 0.94 0.68 -0.43 0.00 2.35 -0.90 0.90 115.58 119.12 1u0e h ASN 427 Ca 0.30 -0.33 0.07 0.00 -0.55 0.00 0.00 56.30 55.79 1u0e h ASN 427 Cb 0.00 -0.18 -0.06 0.00 0.05 0.00 0.00 38.32 38.13 1u0e h ASN 427 CO -0.11 0.85 0.05 0.15 -1.65 0.00 0.00 177.43 176.72 1u0e h PHE 428 N 0.50 0.07 -0.20 1.19 3.57 -0.64 -1.03 116.94 120.40 1u0e h PHE 428 Ca 0.10 0.03 -0.08 0.00 3.53 0.00 0.00 57.97 61.55 1u0e h PHE 428 Cb 0.52 0.03 -0.00 0.00 2.79 0.00 0.00 35.95 39.29 1u0e h PHE 428 CO 0.04 -0.04 -0.17 -0.07 -2.23 0.00 0.00 178.31 175.84 1u0e h LEU 429 N 0.17 0.49 -0.90 0.59 3.38 -0.88 -3.29 115.31 114.87 1u0e h LEU 429 Ca 0.21 -0.46 -0.09 0.00 0.09 0.00 0.00 57.88 57.62 1u0e h LEU 429 Cb 0.29 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.88 1u0e h LEU 429 CO -0.31 0.86 -0.19 0.00 0.09 0.00 0.00 178.44 178.89 1u0e h ALA 430 N 0.65 1.07 -0.54 1.53 0.00 -0.58 -2.77 119.26 118.62 1u0e h ALA 430 Ca 0.03 -0.33 -0.09 0.00 0.00 0.00 0.00 54.91 54.53 1u0e h ALA 430 Cb 0.71 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.34 1u0e h ALA 430 CO 0.04 0.57 -0.00 1.96 0.00 0.00 0.00 179.25 181.82 1u0e h GLN 431 N 0.54 0.95 -0.23 0.00 1.08 -1.26 0.13 115.11 116.32 1u0e h GLN 431 Ca 0.09 -0.31 -0.17 0.00 -1.45 0.00 0.00 58.65 56.81 1u0e h GLN 431 Cb 0.63 -0.08 -0.00 0.00 -0.05 0.00 0.00 27.48 27.97 1u0e h GLN 431 CO 0.04 0.97 -0.55 1.79 -0.95 0.00 0.00 178.83 180.13 1u0e h THR 432 N 0.83 1.30 -0.19 -0.54 1.35 -1.63 -0.54 112.91 113.49 1u0e h THR 432 Ca 0.15 -1.77 0.02 0.00 -0.55 0.00 0.00 66.41 64.26 1u0e h THR 432 Cb 0.54 1.71 -0.02 0.00 -1.73 0.00 0.00 68.15 68.65 1u0e h THR 432 CO 0.03 0.56 0.04 -0.08 -0.25 0.00 0.00 175.52 175.82 1u0e h GLU 433 N 0.53 0.12 -0.43 4.72 4.81 -1.30 -0.63 114.58 122.40 1u0e h GLU 433 Ca 0.01 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.24 1u0e h GLU 433 Cb 1.12 -0.03 -0.02 0.00 0.63 0.00 0.00 28.75 30.45 1u0e h GLU 433 CO 0.11 0.08 0.28 0.00 -0.73 0.00 0.00 179.01 178.75 1u0e h ALA 434 N 1.13 0.54 -0.66 2.92 0.00 -0.58 0.16 119.26 122.77 1u0e h ALA 434 Ca 0.08 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.93 1u0e h ALA 434 Cb 0.07 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.66 1u0e h ALA 434 CO -0.11 0.00 0.30 -0.07 0.00 0.00 0.00 179.25 179.38 1u0e h LEU 435 N 0.58 0.86 0.13 0.00 3.38 -0.91 -0.53 115.31 118.81 1u0e h LEU 435 Ca 0.16 -0.10 -0.01 0.00 0.09 0.00 0.00 57.88 58.02 1u0e h LEU 435 Cb -0.06 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 40.47 1u0e h LEU 435 CO -0.03 0.74 -0.06 -0.03 0.09 0.00 0.00 178.44 179.15 1u0e h MET 436 N 0.94 -0.16 0.09 1.13 4.05 -0.76 -0.60 114.93 119.61 1u0e h MET 436 Ca 0.23 0.01 -0.12 0.00 -0.28 0.00 0.00 59.70 59.54 1u0e h MET 436 Cb 0.12 0.04 0.01 0.00 -0.80 0.00 0.00 31.60 30.97 1u0e h MET 436 CO -0.03 0.23 -0.52 -0.22 0.23 0.00 0.00 176.91 176.61 1u0e h LYS 437 N -0.61 0.20 0.00 0.39 3.64 -0.55 -1.84 116.57 117.79 1u0e h LYS 437 Ca -0.02 -0.33 0.00 0.00 -1.27 0.00 0.00 60.65 59.03 1u0e h LYS 437 Cb 0.47 0.12 0.00 0.00 -0.41 0.00 0.00 32.23 32.41 1u0e h LYS 437 CO 0.03 1.15 0.00 0.41 -2.27 0.00 0.00 179.45 178.77 1u0e n GLY 438 N 1.62 -0.33 2.88 5.01 0.00 -0.22 -4.67 105.19 109.48 1u0e n GLY 438 Ca -0.12 -1.05 -0.14 0.00 0.00 0.00 0.00 46.02 44.71 1u0e n GLY 438 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1u0e s LYS 439 N 0.00 0.24 0.65 1.61 2.20 0.12 -4.90 119.74 119.66 1u0e s LYS 439 Ca 0.00 0.47 -0.16 0.00 -0.36 0.00 0.00 55.97 55.92 1u0e s LYS 439 Cb 0.00 -0.65 -0.00 0.00 -1.51 0.00 0.00 37.83 35.67 1u0e s LYS 439 CO 0.00 -0.55 1.14 -0.51 -0.36 0.00 0.00 175.35 175.06 1u0e s LEU 440 N 2.43 3.44 0.27 5.43 1.43 -1.26 -1.63 118.68 128.78 1u0e s LEU 440 Ca 0.07 2.11 -0.01 0.00 -1.03 0.00 0.00 54.13 55.27 1u0e s LEU 440 Cb -0.15 -4.56 0.60 0.00 0.03 0.00 0.00 46.19 42.11 1u0e s LEU 440 CO -0.13 -1.70 1.65 -0.65 0.23 0.00 0.00 176.35 175.76 1u0e h PRO 441 N 0.17 0.19 -0.16 1.29 0.11 -1.96 -1.42 132.00 130.22 1u0e h PRO 441 Ca -0.48 -0.01 -0.10 0.00 0.11 0.00 0.00 66.00 65.52 1u0e h PRO 441 Cb 1.26 -0.04 -0.01 0.00 0.11 0.00 0.00 31.00 32.31 1u0e h PRO 441 CO 0.54 0.13 -0.34 1.05 -0.21 0.00 0.00 178.00 179.16 1u0e h GLU 442 N 0.20 0.34 -0.35 1.05 4.11 -1.99 -0.55 114.58 117.38 1u0e h GLU 442 Ca 0.49 -0.14 -0.09 0.00 0.07 0.00 0.00 59.36 59.70 1u0e h GLU 442 Cb 0.94 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 30.17 1u0e h GLU 442 CO -0.63 0.64 -0.12 0.93 0.07 0.00 0.00 179.01 179.90 1u0e h GLU 443 N 0.29 0.70 -0.23 1.06 5.08 -1.67 -2.71 114.58 117.11 1u0e h GLU 443 Ca 0.03 -0.28 -0.10 0.00 -1.00 0.00 0.00 59.36 58.01 1u0e h GLU 443 Cb 0.75 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.95 1u0e h GLU 443 CO 0.06 0.88 -0.28 0.00 -1.00 0.00 0.00 179.01 178.67 1u0e h ALA 444 N 0.80 1.10 -0.02 3.43 0.00 -0.99 -2.72 119.26 120.87 1u0e h ALA 444 Ca 0.08 -0.35 0.01 0.00 0.00 0.00 0.00 54.91 54.65 1u0e h ALA 444 Cb 0.64 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 1u0e h ALA 444 CO 0.04 0.56 -0.02 -0.09 0.00 0.00 0.00 179.25 179.74 1u0e h ARG 445 N 0.39 -0.02 -0.52 0.00 2.43 -1.09 -1.71 114.38 113.85 1u0e h ARG 445 Ca 0.05 0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 59.21 1u0e h ARG 445 Cb 0.69 0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 30.22 1u0e h ARG 445 CO 0.05 -0.02 0.25 0.87 -1.51 0.00 0.00 179.97 179.62 1u0e h LYS 446 N -0.02 0.73 -0.54 0.20 1.79 -1.40 -0.41 116.57 116.92 1u0e h LYS 446 Ca 0.02 -0.09 -0.11 0.00 -2.18 0.00 0.00 60.65 58.29 1u0e h LYS 446 Cb 0.05 -0.14 -0.02 0.00 -1.58 0.00 0.00 32.23 30.53 1u0e h LYS 446 CO -0.03 0.57 -0.07 0.93 -1.08 0.00 0.00 179.45 179.76 1u0e h GLU 447 N 0.73 1.01 -0.48 3.15 5.08 -1.20 -1.04 114.58 121.83 1u0e h GLU 447 Ca 0.18 -0.36 -0.13 0.00 -1.00 0.00 0.00 59.36 58.06 1u0e h GLU 447 Cb 0.08 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.24 1u0e h GLU 447 CO -0.02 1.04 -0.19 -0.07 -1.00 0.00 0.00 179.01 178.76 1u0e h LEU 448 N 0.88 1.01 0.10 1.33 3.38 -0.78 -1.70 115.31 119.53 1u0e h LEU 448 Ca 0.14 -0.39 0.01 0.00 0.09 0.00 0.00 57.88 57.74 1u0e h LEU 448 Cb 0.63 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 41.09 1u0e h LEU 448 CO 0.04 1.17 -0.14 1.56 0.09 0.00 0.00 178.44 181.16 1u0e h GLN 449 N 0.84 -0.28 0.00 1.13 4.20 -0.93 -2.40 115.11 117.67 1u0e h GLN 449 Ca 0.11 0.02 -0.01 0.00 0.06 0.00 0.00 58.65 58.83 1u0e h GLN 449 Cb 0.77 0.06 -0.00 0.00 0.30 0.00 0.00 27.48 28.61 1u0e h GLN 449 CO 0.06 -0.19 -0.05 0.00 -0.67 0.00 0.00 178.83 177.99 1u0e h ALA 450 N 0.57 1.62 0.00 3.87 0.00 -1.09 -1.39 119.26 122.83 1u0e h ALA 450 Ca 0.02 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1u0e h ALA 450 Cb 0.30 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.08 1u0e h ALA 450 CO -0.07 0.06 0.00 0.00 0.00 0.00 0.00 179.25 179.24 1u0e n ALA 451 N -2.39 2.34 -1.00 0.00 0.00 -0.65 -4.89 120.51 113.91 1u0e n ALA 451 Ca -0.03 -0.13 -0.00 0.00 0.00 0.00 0.00 53.44 53.28 1u0e n ALA 451 Cb 0.13 -1.41 -0.00 0.00 0.00 0.00 0.00 19.45 18.17 1u0e n ALA 451 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1u0e n GLY 452 N 0.76 0.41 3.76 0.00 0.00 -0.52 -5.03 105.19 104.57 1u0e n GLY 452 Ca 0.15 -0.95 -0.40 0.00 0.00 0.00 0.00 46.02 44.82 1u0e n GLY 452 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1u0e s LYS 453 N -1.74 4.47 0.49 1.61 3.01 -1.04 -5.03 119.74 121.51 1u0e s LYS 453 Ca 0.00 1.92 -0.21 0.00 -1.01 0.00 0.00 55.97 56.68 1u0e s LYS 453 Cb 0.00 -3.07 -0.08 0.00 -1.01 0.00 0.00 37.83 33.67 1u0e s LYS 453 CO 0.00 0.02 1.08 -1.54 0.51 0.00 0.00 175.35 175.42 1u0e s SER 454 N -0.81 6.17 0.50 2.83 1.04 -1.26 -4.76 113.70 117.39 1u0e s SER 454 Ca 0.48 2.05 0.32 0.00 0.48 0.00 0.00 55.95 59.28 1u0e s SER 454 Cb -0.34 -2.57 1.43 0.00 0.10 0.00 0.00 66.02 64.64 1u0e s SER 454 CO 0.44 -0.91 1.77 1.55 0.98 0.00 0.00 173.24 177.07 1u0e h PRO 455 N 1.58 0.11 0.28 4.02 0.13 -1.98 0.49 132.00 136.64 1u0e h PRO 455 Ca -0.50 -0.01 -0.01 0.00 -0.87 0.00 0.00 66.00 64.61 1u0e h PRO 455 Cb 1.24 -0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.34 1u0e h PRO 455 CO 0.59 0.07 -0.13 1.49 -0.23 0.00 0.00 178.00 179.79 1u0e h GLU 456 N 0.11 -0.36 -0.59 0.86 4.57 -2.00 -2.61 114.58 114.55 1u0e h GLU 456 Ca 0.61 0.02 -0.06 0.00 -1.18 0.00 0.00 59.36 58.76 1u0e h GLU 456 Cb 2.17 0.08 -0.02 0.00 -0.16 0.00 0.00 28.75 30.82 1u0e h GLU 456 CO -0.12 -0.02 0.15 -0.44 -1.18 0.00 0.00 179.01 177.40 1u0e h ASP 457 N -0.80 0.90 -0.06 1.04 3.45 -1.66 -3.11 116.42 116.19 1u0e h ASP 457 Ca -0.04 -0.23 0.03 0.00 0.43 0.00 0.00 57.03 57.22 1u0e h ASP 457 Cb 0.51 -0.24 -0.04 0.00 -0.56 0.00 0.00 39.33 39.00 1u0e h ASP 457 CO 0.06 0.89 -0.16 0.25 -1.57 0.00 0.00 179.24 178.72 1u0e h LEU 458 N 0.86 -0.47 -1.01 1.55 6.46 -0.13 -2.40 115.31 120.16 1u0e h LEU 458 Ca 0.19 0.08 -0.10 0.00 -0.12 0.00 0.00 57.88 57.92 1u0e h LEU 458 Cb 0.34 0.21 -0.01 0.00 -0.73 0.00 0.00 40.66 40.47 1u0e h LEU 458 CO 0.00 -0.21 -0.43 -0.33 -0.62 0.00 0.00 178.44 176.85 1u0e h GLU 459 N -0.23 0.12 -0.15 1.25 4.39 -1.45 0.48 114.58 118.99 1u0e h GLU 459 Ca 0.07 -0.06 -0.21 0.00 0.34 0.00 0.00 59.36 59.50 1u0e h GLU 459 Cb 0.33 -0.00 0.01 0.00 -0.10 0.00 0.00 28.75 28.99 1u0e h GLU 459 CO -0.20 0.54 -0.75 1.57 -1.16 0.00 0.00 179.01 179.02 1u0e h LYS 460 N 0.10 0.71 0.00 2.33 5.09 -1.46 -3.30 116.57 120.04 1u0e h LYS 460 Ca 0.01 -0.57 -0.15 0.00 0.09 0.00 0.00 60.65 60.04 1u0e h LYS 460 Cb 0.81 0.11 -0.02 0.00 0.10 0.00 0.00 32.23 33.24 1u0e h LYS 460 CO 0.06 1.18 -0.69 1.25 -2.09 0.00 0.00 179.45 179.16 1u0e h LEU 461 N 0.49 0.00 -0.29 7.07 6.46 -1.24 -3.41 115.31 124.39 1u0e h LEU 461 Ca -0.04 0.00 0.05 0.00 -0.12 0.00 0.00 57.88 57.77 1u0e h LEU 461 Cb 1.36 0.00 -0.08 0.00 -0.73 0.00 0.00 40.66 41.21 1u0e h LEU 461 CO 0.15 0.69 -0.46 0.25 -0.62 0.00 0.00 178.44 178.45 1u0e h LEU 462 N 0.00 -1.50 -1.57 2.25 5.85 -0.98 -2.54 115.31 116.83 1u0e h LEU 462 Ca -0.01 0.21 -0.00 0.00 0.84 0.00 0.00 57.88 58.92 1u0e h LEU 462 Cb 1.36 0.63 -0.02 0.00 0.37 0.00 0.00 40.66 43.00 1u0e h LEU 462 CO 0.09 -0.41 0.25 1.55 -0.34 0.00 0.00 178.44 179.58 1u0e h PRO 463 N -0.42 0.54 0.00 5.25 0.13 -1.81 -0.48 132.00 135.21 1u0e h PRO 463 Ca 0.10 -0.04 -0.02 0.00 -0.87 0.00 0.00 66.00 65.17 1u0e h PRO 463 Cb 0.61 -0.12 -0.00 0.00 0.13 0.00 0.00 31.00 31.62 1u0e h PRO 463 CO -0.51 0.38 -0.10 0.45 -0.23 0.00 0.00 178.00 177.99 1u0e h HIS 464 N 0.56 0.00 -0.00 1.56 3.86 -1.74 -2.72 115.15 116.66 1u0e h HIS 464 Ca 0.15 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.36 1u0e h HIS 464 Cb -0.03 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.44 1u0e h HIS 464 CO 0.00 0.10 -0.30 1.63 0.86 0.00 0.00 177.93 180.21 1u0e n LYS 465 N -3.62 0.55 -2.79 2.45 4.76 -0.19 -4.91 118.16 114.40 1u0e n LYS 465 Ca -0.02 -0.30 -0.41 0.00 -2.87 0.00 0.00 58.31 54.71 1u0e n LYS 465 Cb 0.22 -1.49 -0.04 0.00 -1.84 0.00 0.00 35.03 31.87 1u0e n LYS 465 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 1u0e s VAL 466 N -2.66 4.77 -0.28 -0.18 1.01 -1.03 -4.88 120.40 117.16 1u0e s VAL 466 Ca 0.21 1.93 -0.04 0.00 0.00 0.00 0.00 61.98 64.08 1u0e s VAL 466 Cb 0.19 -4.26 0.02 0.00 0.00 0.00 0.00 36.38 32.33 1u0e s VAL 466 CO 0.57 0.24 0.02 -0.36 0.00 0.00 0.00 175.10 175.56 1u0e s PHE 467 N 0.58 3.13 0.32 5.22 0.40 -0.65 -4.93 117.98 122.05 1u0e s PHE 467 Ca 0.47 -1.31 0.26 0.00 -0.60 0.00 0.00 56.93 55.76 1u0e s PHE 467 Cb -0.21 -2.16 1.27 0.00 0.51 0.00 0.00 43.02 42.43 1u0e s PHE 467 CO 0.27 -0.66 1.99 0.93 0.70 0.00 0.00 175.22 178.44 1u0e h GLU 468 N 8.12 0.00 0.00 0.44 5.08 -1.82 0.33 114.58 126.73 1u0e h GLU 468 Ca -0.31 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.05 1u0e h GLU 468 Cb 1.11 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.36 1u0e h GLU 468 CO 0.59 0.16 0.00 0.41 -1.00 0.00 0.00 179.01 179.16 1u0e n GLY 469 N -0.40 0.70 2.48 -3.84 0.00 -1.26 -4.74 105.19 98.13 1u0e n GLY 469 Ca -0.01 -0.73 -0.21 0.00 0.00 0.00 0.00 46.02 45.06 1u0e n GLY 469 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1u0e n ASN 470 N -2.17 -5.97 -4.40 1.61 5.15 -0.69 -4.93 115.26 103.85 1u0e n ASN 470 Ca 0.00 -0.05 -0.38 0.00 -0.60 0.00 0.00 54.58 53.54 1u0e n ASN 470 Cb 0.00 -4.95 -0.12 0.00 -0.53 0.00 0.00 39.78 34.18 1u0e n ASN 470 CO 0.00 0.00 0.00 -0.13 1.40 0.00 0.00 177.26 178.53 1u0e s ARG 471 N -5.13 3.20 0.24 1.20 0.52 -0.26 -4.93 118.95 113.78 1u0e s ARG 471 Ca 0.04 -0.80 -0.24 0.00 -0.52 0.00 0.00 55.73 54.21 1u0e s ARG 471 Cb -0.02 -3.52 -0.09 0.00 0.52 0.00 0.00 34.95 31.84 1u0e s ARG 471 CO 0.05 -0.46 0.82 -1.25 0.02 0.00 0.00 175.30 174.48 1u0e s PRO 472 N 1.57 4.46 0.07 3.54 0.04 -1.26 -3.62 135.00 139.81 1u0e s PRO 472 Ca 0.04 1.11 -0.00 0.00 0.04 0.00 0.00 61.00 62.19 1u0e s PRO 472 Cb -0.17 -2.97 -0.04 0.00 0.04 0.00 0.00 34.50 31.36 1u0e s PRO 472 CO 0.05 0.41 -0.03 0.95 0.04 0.00 0.00 177.00 178.42 1u0e s THR 473 N -1.45 0.35 -0.00 1.26 -4.23 -0.68 -3.54 115.64 107.34 1u0e s THR 473 Ca 0.43 -1.86 0.02 0.00 -1.18 0.00 0.00 61.69 59.11 1u0e s THR 473 Cb -0.19 -1.62 -0.03 0.00 1.34 0.00 0.00 72.50 71.99 1u0e s THR 473 CO 0.24 -0.91 -0.02 0.20 -0.54 0.00 0.00 174.62 173.58 1u0e s ASN 474 N -2.97 4.96 -0.16 3.99 0.01 -0.24 -4.08 114.94 116.45 1u0e s ASN 474 Ca 0.10 -0.05 0.02 0.00 -0.71 0.00 0.00 52.86 52.22 1u0e s ASN 474 Cb 0.07 -1.26 0.01 0.00 0.41 0.00 0.00 41.25 40.49 1u0e s ASN 474 CO -0.07 0.29 -0.21 -0.44 -1.51 0.00 0.00 177.10 175.15 1u0e s SER 475 N -1.47 3.13 -0.22 -1.22 0.01 -0.60 -0.87 113.70 112.45 1u0e s SER 475 Ca 0.18 -0.62 0.02 0.00 1.31 0.00 0.00 55.95 56.84 1u0e s SER 475 Cb -0.11 -1.46 0.04 0.00 0.21 0.00 0.00 66.02 64.70 1u0e s SER 475 CO 0.09 0.05 -0.15 -0.63 0.41 0.00 0.00 173.24 173.01 1u0e s ILE 476 N 0.99 2.14 -0.02 1.44 1.01 0.41 -0.33 121.20 126.85 1u0e s ILE 476 Ca -0.02 -1.32 0.05 0.00 0.00 0.00 0.00 60.65 59.36 1u0e s ILE 476 Cb -0.15 -2.10 -0.01 0.00 0.01 0.00 0.00 42.46 40.21 1u0e s ILE 476 CO -0.06 0.23 -0.18 -0.69 0.00 0.00 0.00 174.94 174.23 1u0e s VAL 477 N 1.19 1.44 0.04 2.92 1.01 -0.51 -1.72 120.40 124.78 1u0e s VAL 477 Ca -0.03 -0.77 -0.00 0.00 0.00 0.00 0.00 61.98 61.19 1u0e s VAL 477 Cb -0.17 -1.21 -0.03 0.00 0.00 0.00 0.00 36.38 34.97 1u0e s VAL 477 CO -0.08 0.41 -0.04 0.72 0.00 0.00 0.00 175.10 176.11 1u0e s PHE 478 N -0.31 0.48 0.16 5.22 -0.12 -0.85 -0.16 117.98 122.40 1u0e s PHE 478 Ca 0.04 -0.80 -0.20 0.00 -0.05 0.00 0.00 56.93 55.93 1u0e s PHE 478 Cb -0.08 -0.33 0.07 0.00 -0.63 0.00 0.00 43.02 42.05 1u0e s PHE 478 CO 0.00 -0.26 1.64 1.15 -0.05 0.00 0.00 175.22 177.71 1u0e h THR 479 N 3.81 0.47 -1.99 -4.49 2.02 -1.65 0.69 112.91 111.77 1u0e h THR 479 Ca -0.34 0.00 -0.05 0.00 0.77 0.00 0.00 66.41 66.80 1u0e h THR 479 Cb 1.17 0.47 -0.19 0.00 -1.74 0.00 0.00 68.15 67.86 1u0e h THR 479 CO 0.54 0.00 0.22 -0.75 0.37 0.00 0.00 175.52 175.90 1u0e s LYS 480 N -6.15 1.03 -1.25 6.66 2.20 -1.26 -1.06 119.74 119.91 1u0e s LYS 480 Ca -0.14 0.23 -0.14 0.00 -0.36 0.00 0.00 55.97 55.55 1u0e s LYS 480 Cb 0.14 0.48 0.14 0.00 -1.51 0.00 0.00 37.83 37.08 1u0e s LYS 480 CO 0.70 -0.32 1.59 -0.11 -0.36 0.00 0.00 175.35 176.84 1u0e n LEU 481 N 0.85 5.40 -4.95 5.43 7.94 -1.26 -4.72 117.00 125.70 1u0e n LEU 481 Ca -0.18 -4.35 -0.24 0.00 -1.11 0.00 0.00 56.01 50.13 1u0e n LEU 481 Cb 0.57 -1.63 0.04 0.00 0.53 0.00 0.00 43.42 42.93 1u0e n LEU 481 CO 0.23 0.70 0.46 0.42 -1.11 0.00 0.00 177.39 178.09 1u0e s THR 482 N 2.06 2.87 0.21 1.96 -4.23 -1.26 -4.88 115.64 112.37 1u0e s THR 482 Ca 0.45 -0.41 -0.09 0.00 -1.18 0.00 0.00 61.69 60.46 1u0e s THR 482 Cb 0.01 -3.14 0.15 0.00 1.34 0.00 0.00 72.50 70.86 1u0e s THR 482 CO 0.02 -0.12 1.76 -0.65 -0.54 0.00 0.00 174.62 175.09 1u0e h PRO 483 N -0.15 0.48 -0.07 3.99 0.11 -1.92 -0.36 132.00 134.09 1u0e h PRO 483 Ca -0.44 -0.03 0.02 0.00 0.11 0.00 0.00 66.00 65.66 1u0e h PRO 483 Cb 1.29 -0.11 -0.02 0.00 0.11 0.00 0.00 31.00 32.27 1u0e h PRO 483 CO 0.57 0.32 -0.06 0.35 -0.21 0.00 0.00 178.00 178.97 1u0e h PHE 484 N 0.49 -0.14 -0.52 0.65 3.57 -1.86 -1.05 116.94 118.08 1u0e h PHE 484 Ca 0.31 0.01 -0.08 0.00 3.53 0.00 0.00 57.97 61.74 1u0e h PHE 484 Cb 0.34 0.07 -0.02 0.00 2.79 0.00 0.00 35.95 39.13 1u0e h PHE 484 CO -0.14 -0.09 0.02 0.82 -2.23 0.00 0.00 178.31 176.69 1u0e h ILE 485 N -0.07 1.26 -0.60 1.41 1.08 -1.77 -1.41 117.51 117.42 1u0e h ILE 485 Ca 0.05 -1.07 0.03 0.00 -0.39 0.00 0.00 64.86 63.48 1u0e h ILE 485 Cb 0.14 0.92 -0.04 0.00 -3.07 0.00 0.00 36.82 34.77 1u0e h ILE 485 CO -0.11 0.38 0.36 0.25 -0.69 0.00 0.00 178.15 178.34 1u0e h LEU 486 N 0.78 0.58 -0.84 1.44 5.85 -0.96 0.02 115.31 122.18 1u0e h LEU 486 Ca 0.15 0.01 0.05 0.00 0.84 0.00 0.00 57.88 58.92 1u0e h LEU 486 Cb 0.50 -0.12 -0.06 0.00 0.37 0.00 0.00 40.66 41.36 1u0e h LEU 486 CO 0.02 0.40 0.53 1.23 -0.34 0.00 0.00 178.44 180.29 1u0e h GLY 487 N 0.70 1.25 1.21 3.75 0.00 -0.77 -0.98 103.07 108.23 1u0e h GLY 487 Ca 0.24 -0.40 -0.08 0.00 0.00 0.00 0.00 47.33 47.10 1u0e h GLY 487 CO -0.11 0.31 0.05 0.00 0.00 0.00 0.00 176.54 176.79 1u0e h ALA 488 N 1.37 0.99 -0.34 3.60 0.00 -0.58 -2.33 119.26 121.98 1u0e h ALA 488 Ca 0.35 -0.27 -0.07 0.00 0.00 0.00 0.00 54.91 54.92 1u0e h ALA 488 Cb 0.08 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 1u0e h ALA 488 CO -0.14 0.63 -0.06 -0.07 0.00 0.00 0.00 179.25 179.60 1u0e h LEU 489 N 0.90 0.64 -0.36 0.00 3.38 -0.43 -1.38 115.31 118.05 1u0e h LEU 489 Ca 0.17 -0.35 -0.01 0.00 0.09 0.00 0.00 57.88 57.78 1u0e h LEU 489 Cb 0.46 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 41.02 1u0e h LEU 489 CO 0.02 0.84 0.17 0.40 0.09 0.00 0.00 178.44 179.96 1u0e h ILE 490 N 0.42 1.17 -0.76 1.22 2.04 -1.18 -2.58 117.51 117.84 1u0e h ILE 490 Ca 0.09 -0.48 -0.01 0.00 1.00 0.00 0.00 64.86 65.46 1u0e h ILE 490 Cb 0.55 0.81 -0.04 0.00 -0.74 0.00 0.00 36.82 37.40 1u0e h ILE 490 CO 0.03 0.18 0.44 0.00 0.00 0.00 0.00 178.15 178.79 1u0e h ALA 491 N 1.03 1.34 -0.42 1.87 0.00 -1.38 -0.93 119.26 120.75 1u0e h ALA 491 Ca 0.13 -0.10 0.01 0.00 0.00 0.00 0.00 54.91 54.94 1u0e h ALA 491 Cb 0.12 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.58 1u0e h ALA 491 CO -0.02 0.56 0.27 1.98 0.00 0.00 0.00 179.25 182.04 1u0e h MET 492 N 1.06 0.53 -0.38 0.00 1.85 -0.98 -0.65 114.93 116.36 1u0e h MET 492 Ca 0.27 -0.03 -0.13 0.00 -0.61 0.00 0.00 59.70 59.20 1u0e h MET 492 Cb -0.01 -0.12 -0.01 0.00 0.43 0.00 0.00 31.60 31.89 1u0e h MET 492 CO -0.05 0.35 -0.27 1.88 -0.40 0.00 0.00 176.91 178.42 1u0e h TYR 493 N 0.54 0.92 -0.68 1.39 -1.99 -1.05 -1.12 116.97 114.98 1u0e h TYR 493 Ca 0.16 -0.23 0.09 0.00 2.00 0.00 0.00 58.73 60.75 1u0e h TYR 493 Cb -0.03 -0.21 -0.07 0.00 2.00 0.00 0.00 36.73 38.41 1u0e h TYR 493 CO -0.06 0.98 0.33 0.93 -0.00 0.00 0.00 178.16 180.34 1u0e h GLU 494 N 0.68 0.54 -0.01 4.88 5.08 -0.84 -0.93 114.58 123.99 1u0e h GLU 494 Ca 0.08 -0.03 -0.18 0.00 -1.00 0.00 0.00 59.36 58.23 1u0e h GLU 494 Cb 0.81 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.92 1u0e h GLU 494 CO 0.07 0.36 -0.82 0.45 -1.00 0.00 0.00 179.01 178.07 1u0e h HIS 495 N 0.56 0.25 -0.11 4.33 3.86 -0.89 -1.54 115.15 121.60 1u0e h HIS 495 Ca 0.34 -0.13 0.03 0.00 -1.16 0.00 0.00 60.37 59.44 1u0e h HIS 495 Cb 0.36 -0.03 -0.03 0.00 1.06 0.00 0.00 27.41 28.78 1u0e h HIS 495 CO -0.12 0.91 -0.05 -0.22 0.86 0.00 0.00 177.93 179.31 1u0e h LYS 496 N 0.10 -0.04 -0.51 2.45 3.64 -0.86 -0.82 116.57 120.54 1u0e h LYS 496 Ca -0.03 0.00 0.07 0.00 -1.27 0.00 0.00 60.65 59.42 1u0e h LYS 496 Cb 1.42 0.01 -0.06 0.00 -0.41 0.00 0.00 32.23 33.19 1u0e h LYS 496 CO 0.12 -0.02 0.18 0.82 -2.27 0.00 0.00 179.45 178.28 1u0e h ILE 497 N -0.04 0.83 0.01 2.00 2.04 -1.05 -1.47 117.51 119.83 1u0e h ILE 497 Ca 0.06 -0.12 0.02 0.00 1.00 0.00 0.00 64.86 65.82 1u0e h ILE 497 Cb 0.13 0.43 -0.03 0.00 -0.74 0.00 0.00 36.82 36.61 1u0e h ILE 497 CO -0.14 0.07 -0.18 0.15 0.00 0.00 0.00 178.15 178.05 1u0e h PHE 498 N 0.36 -0.46 -0.67 1.37 3.57 -0.98 -1.59 116.94 118.54 1u0e h PHE 498 Ca 0.25 0.01 0.04 0.00 3.53 0.00 0.00 57.97 61.80 1u0e h PHE 498 Cb 0.26 0.20 -0.05 0.00 2.79 0.00 0.00 35.95 39.16 1u0e h PHE 498 CO -0.16 -0.26 0.40 0.28 -2.23 0.00 0.00 178.31 176.34 1u0e h VAL 499 N -0.30 1.04 -0.52 1.41 2.07 -0.86 -1.17 116.25 117.93 1u0e h VAL 499 Ca 0.05 -0.26 -0.01 0.00 0.82 0.00 0.00 66.70 67.30 1u0e h VAL 499 Cb 0.36 0.21 -0.02 0.00 -1.52 0.00 0.00 31.29 30.31 1u0e h VAL 499 CO -0.16 0.14 0.29 1.56 0.02 0.00 0.00 177.57 179.42 1u0e h GLN 500 N 0.76 0.72 -1.00 1.57 4.20 -1.08 -1.66 115.11 118.62 1u0e h GLN 500 Ca 0.28 -0.08 0.02 0.00 0.06 0.00 0.00 58.65 58.94 1u0e h GLN 500 Cb 0.09 -0.14 -0.05 0.00 0.30 0.00 0.00 27.48 27.68 1u0e h GLN 500 CO -0.14 0.55 0.66 0.78 -0.67 0.00 0.00 178.83 180.01 1u0e h GLY 501 N 0.69 1.43 0.89 3.46 0.00 -0.77 -0.31 103.07 108.47 1u0e h GLY 501 Ca 0.18 -0.51 -0.02 0.00 0.00 0.00 0.00 47.33 46.98 1u0e h GLY 501 CO -0.03 0.48 0.08 -2.22 0.00 0.00 0.00 176.54 174.85 1u0e h ILE 502 N 1.32 1.20 -0.23 2.60 1.08 -0.97 -1.49 117.51 121.02 1u0e h ILE 502 Ca 0.38 -0.62 -0.05 0.00 -0.39 0.00 0.00 64.86 64.18 1u0e h ILE 502 Cb -0.09 1.12 -0.01 0.00 -3.07 0.00 0.00 36.82 34.77 1u0e h ILE 502 CO -0.10 0.20 -0.06 0.24 -0.69 0.00 0.00 178.15 177.74 1u0e h MET 503 N 0.25 0.36 -0.00 2.37 2.86 -0.90 -1.20 114.93 118.66 1u0e h MET 503 Ca 0.08 -0.08 0.00 0.00 -2.06 0.00 0.00 59.70 57.65 1u0e h MET 503 Cb 0.24 -0.05 0.00 0.00 0.06 0.00 0.00 31.60 31.85 1u0e h MET 503 CO -0.00 0.44 -0.02 0.91 1.06 0.00 0.00 176.91 179.30 1u0e n TRP 504 N -4.29 0.00 -2.17 -0.22 8.01 -0.16 -4.48 117.44 114.13 1u0e n TRP 504 Ca 0.00 0.00 -0.16 0.00 -1.31 0.00 0.00 57.50 56.03 1u0e n TRP 504 Cb 0.25 -0.23 -0.02 0.00 -2.01 0.00 0.00 31.31 29.30 1u0e n TRP 504 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 177.69 173.21 1u0e n ASP 505 N -1.19 -4.90 -4.83 -0.99 2.03 -0.45 -4.74 116.55 101.48 1u0e n ASP 505 Ca 0.16 0.06 -0.22 0.00 0.52 0.00 0.00 54.79 55.31 1u0e n ASP 505 Cb 0.23 -3.98 -0.04 0.00 -0.72 0.00 0.00 41.12 36.61 1u0e n ASP 505 CO 0.00 0.00 0.00 0.27 -1.92 0.00 0.00 177.20 175.55 1u0e s ILE 506 N -2.78 2.68 -0.48 5.18 -4.36 -0.64 -0.50 121.20 120.29 1u0e s ILE 506 Ca 0.00 -1.46 -0.18 0.00 -0.26 0.00 0.00 60.65 58.75 1u0e s ILE 506 Cb 0.00 -3.01 0.05 0.00 1.25 0.00 0.00 42.46 40.74 1u0e s ILE 506 CO 0.00 -0.03 0.56 0.21 0.24 0.00 0.00 174.94 175.92 1u0e s ASN 507 N -4.04 6.22 0.00 4.36 3.84 -1.26 -4.52 114.94 119.54 1u0e s ASN 507 Ca 0.45 -0.85 0.21 0.00 0.21 0.00 0.00 52.86 52.88 1u0e s ASN 507 Cb -0.02 -2.27 1.10 0.00 -0.55 0.00 0.00 41.25 39.52 1u0e s ASN 507 CO 0.26 -0.78 1.65 -1.20 -2.79 0.00 0.00 177.10 174.24 1u0e n SER 508 N 5.94 0.00 0.00 -4.21 7.64 -1.26 -3.95 113.62 117.77 1u0e n SER 508 Ca -0.07 -0.19 0.00 0.00 1.01 0.00 0.00 58.87 59.63 1u0e n SER 508 Cb 0.46 -0.21 0.00 0.00 -1.01 0.00 0.00 64.21 63.45 1u0e n SER 508 CO 0.00 0.00 0.00 0.49 -3.01 0.00 0.00 175.04 172.52 1u0e n PHE 509 N -1.21 0.00 -3.14 1.43 3.01 -1.26 -4.33 117.46 111.96 1u0e n PHE 509 Ca 0.11 0.00 -0.21 0.00 1.01 0.00 0.00 57.45 58.37 1u0e n PHE 509 Cb 0.14 0.00 0.06 0.00 -0.01 0.00 0.00 39.48 39.67 1u0e n PHE 509 CO 0.00 0.00 0.00 0.16 1.01 0.00 0.00 176.76 177.93 1u0e s ASP 510 N -0.14 4.97 -0.46 4.37 1.47 -1.25 -4.96 116.67 120.68 1u0e s ASP 510 Ca 0.00 -0.96 0.06 0.00 1.18 0.00 0.00 52.55 52.83 1u0e s ASP 510 Cb 0.00 0.46 0.31 0.00 -0.34 0.00 0.00 42.92 43.35 1u0e s ASP 510 CO 0.00 -1.40 1.10 0.00 0.68 0.00 0.00 175.17 175.55 1u0e n GLN 511 N -2.25 0.93 0.25 2.11 0.00 -1.26 -4.79 117.38 112.38 1u0e n GLN 511 Ca 0.15 -1.82 0.17 0.00 0.00 0.00 0.00 57.00 55.49 1u0e n GLN 511 Cb 0.62 -1.04 0.79 0.00 0.00 0.00 0.00 30.24 30.62 1u0e n GLN 511 CO 0.00 0.00 0.00 -1.49 0.00 0.00 0.00 177.06 175.57 1u0e h TRP 512 N 3.09 0.00 0.00 2.61 4.06 -1.98 -3.14 115.95 120.59 1u0e h TRP 512 Ca -0.12 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.83 1u0e h TRP 512 Cb 1.10 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 29.26 1u0e h TRP 512 CO 0.25 0.00 0.00 0.41 -3.56 0.00 0.00 178.44 175.54 1u0e n GLY 513 N -0.49 -1.09 0.27 1.49 0.00 -1.26 -2.48 105.19 101.64 1u0e n GLY 513 Ca -0.00 -0.07 0.12 0.00 0.00 0.00 0.00 46.02 46.07 1u0e n GLY 513 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1u0e n VAL 514 N -1.47 0.00 -0.03 1.61 0.24 -1.19 -4.54 118.33 112.96 1u0e n VAL 514 Ca 0.05 -0.14 -0.13 0.00 -2.04 0.00 0.00 64.34 62.08 1u0e n VAL 514 Cb 0.20 0.67 -0.09 0.00 -1.47 0.00 0.00 33.84 33.15 1u0e n VAL 514 CO 0.00 0.00 0.00 -0.08 -2.14 0.00 0.00 176.83 174.61 1u0e h GLU 515 N 1.34 0.10 -0.49 7.34 4.81 -1.72 -3.27 114.58 122.69 1u0e h GLU 515 Ca 0.00 -0.06 0.06 0.00 -0.13 0.00 0.00 59.36 59.23 1u0e h GLU 515 Cb 0.58 0.01 -0.05 0.00 0.63 0.00 0.00 28.75 29.91 1u0e h GLU 515 CO 0.00 0.61 0.21 1.25 -0.73 0.00 0.00 179.01 180.35 1u0e h LEU 516 N -0.40 0.26 -1.11 1.64 5.85 -1.80 -1.74 115.31 118.01 1u0e h LEU 516 Ca 0.00 0.04 0.07 0.00 0.84 0.00 0.00 57.88 58.84 1u0e h LEU 516 Cb 0.60 0.01 -0.06 0.00 0.37 0.00 0.00 40.66 41.57 1u0e h LEU 516 CO 0.01 0.18 0.61 1.23 -0.34 0.00 0.00 178.44 180.13 1u0e h GLY 517 N 0.41 1.39 0.97 3.75 0.00 -1.86 -0.72 103.07 107.01 1u0e h GLY 517 Ca 0.23 -0.43 -0.06 0.00 0.00 0.00 0.00 47.33 47.07 1u0e h GLY 517 CO -0.20 0.30 0.05 0.50 0.00 0.00 0.00 176.54 177.20 1u0e h LYS 518 N 1.06 0.76 -0.38 4.80 1.57 -1.40 -2.06 116.57 120.92 1u0e h LYS 518 Ca 0.41 -0.21 -0.02 0.00 -1.87 0.00 0.00 60.65 58.95 1u0e h LYS 518 Cb 0.21 -0.08 -0.02 0.00 0.08 0.00 0.00 32.23 32.42 1u0e h LYS 518 CO -0.16 0.79 0.14 1.96 -0.57 0.00 0.00 179.45 181.62 1u0e h GLN 519 N 0.62 0.58 0.00 3.15 4.20 -0.51 -2.33 115.11 120.81 1u0e h GLN 519 Ca 0.13 -0.11 -0.08 0.00 0.06 0.00 0.00 58.65 58.65 1u0e h GLN 519 Cb 0.41 -0.09 -0.01 0.00 0.30 0.00 0.00 27.48 28.09 1u0e h GLN 519 CO 0.01 0.56 -0.39 -0.07 -0.67 0.00 0.00 178.83 178.28 1u0e h LEU 520 N 0.47 0.00 -0.37 1.46 3.38 -1.12 -2.76 115.31 116.37 1u0e h LEU 520 Ca 0.13 0.00 -0.17 0.00 0.09 0.00 0.00 57.88 57.92 1u0e h LEU 520 Cb 0.21 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.96 1u0e h LEU 520 CO -0.01 0.39 -0.50 0.00 0.09 0.00 0.00 178.44 178.42 1u0e h ALA 521 N 1.61 0.54 -0.10 1.53 0.00 -1.23 -2.39 119.26 119.22 1u0e h ALA 521 Ca -0.00 -0.49 -0.04 0.00 0.00 0.00 0.00 54.91 54.37 1u0e h ALA 521 Cb 0.84 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.53 1u0e h ALA 521 CO 0.05 0.68 -0.14 0.87 0.00 0.00 0.00 179.25 180.71 1u0e h LYS 522 N 0.67 0.16 -0.28 0.00 1.57 -1.15 -1.88 116.57 115.65 1u0e h LYS 522 Ca 0.03 -0.03 -0.19 0.00 -1.87 0.00 0.00 60.65 58.59 1u0e h LYS 522 Cb 1.09 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 33.38 1u0e h LYS 522 CO 0.11 0.31 -0.56 0.87 -0.57 0.00 0.00 179.45 179.61 1u0e h LYS 523 N 0.16 0.86 0.00 3.15 1.57 -1.38 -3.30 116.57 117.63 1u0e h LYS 523 Ca 0.03 -0.55 -0.12 0.00 -1.87 0.00 0.00 60.65 58.13 1u0e h LYS 523 Cb 0.35 0.07 -0.02 0.00 0.08 0.00 0.00 32.23 32.71 1u0e h LYS 523 CO 0.02 1.19 -0.59 0.82 -0.57 0.00 0.00 179.45 180.32 1u0e h ILE 524 N 0.66 1.21 -0.21 1.86 2.04 -1.09 -3.37 117.51 118.60 1u0e h ILE 524 Ca 0.01 -2.19 0.06 0.00 1.00 0.00 0.00 64.86 63.73 1u0e h ILE 524 Cb 1.17 2.26 -0.07 0.00 -0.74 0.00 0.00 36.82 39.44 1u0e h ILE 524 CO 0.12 0.58 -0.35 -0.33 0.00 0.00 0.00 178.15 178.18 1u0e h GLU 525 N 0.00 -0.36 0.00 2.37 5.08 -1.43 -1.73 114.58 118.51 1u0e h GLU 525 Ca -0.01 0.02 -0.03 0.00 -1.00 0.00 0.00 59.36 58.35 1u0e h GLU 525 Cb 1.21 0.08 -0.00 0.00 0.50 0.00 0.00 28.75 30.54 1u0e h GLU 525 CO 0.08 -0.24 -0.15 -1.00 -1.00 0.00 0.00 179.01 176.69 1u0e h PRO 526 N -0.38 0.00 0.00 2.33 0.13 -1.78 -3.02 132.00 129.28 1u0e h PRO 526 Ca 0.11 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 65.17 1u0e h PRO 526 Cb 0.56 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.68 1u0e h PRO 526 CO -0.42 0.15 -0.37 0.93 -0.23 0.00 0.00 178.00 178.07 1u0e h GLU 527 N 0.00 0.00 0.00 0.86 5.08 -1.50 -2.86 114.58 116.16 1u0e h GLU 527 Ca -0.00 0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 58.31 1u0e h GLU 527 Cb 0.55 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.79 1u0e h GLU 527 CO 0.02 0.37 -0.22 -0.07 -1.00 0.00 0.00 179.01 178.10 1u0e h LEU 528 N 0.00 0.00 -9.86 1.33 3.38 -1.37 -3.44 115.31 105.35 1u0e h LEU 528 Ca -0.00 0.00 -0.50 0.00 0.09 0.00 0.00 57.88 57.47 1u0e h LEU 528 Cb 0.78 0.00 0.02 0.00 0.09 0.00 0.00 40.66 41.56 1u0e h LEU 528 CO 0.05 0.22 0.47 -1.61 0.09 0.00 0.00 178.44 177.66 1u0e s GLU 529 N -4.07 4.46 0.00 1.13 2.02 -1.08 -4.87 118.70 116.29 1u0e s GLU 529 Ca -0.02 1.76 0.00 0.00 0.02 0.00 0.00 54.97 56.73 1u0e s GLU 529 Cb 0.13 -2.99 0.00 0.00 0.10 0.00 0.00 34.13 31.37 1u0e s GLU 529 CO 0.64 0.06 0.00 0.41 0.02 0.00 0.00 175.26 176.39 1u0e n GLY 530 N 0.94 -1.41 0.50 -1.39 0.00 -1.26 -4.71 105.19 97.86 1u0e n GLY 530 Ca 0.01 -1.56 0.11 0.00 0.00 0.00 0.00 46.02 44.58 1u0e n GLY 530 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1u0e n SER 531 N -1.54 2.04 -4.77 1.61 7.64 -1.26 -4.99 113.62 112.35 1u0e n SER 531 Ca 0.00 -1.52 -0.38 0.00 1.01 0.00 0.00 58.87 57.99 1u0e n SER 531 Cb 0.00 0.46 -0.02 0.00 -1.01 0.00 0.00 64.21 63.64 1u0e n SER 531 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1u0e s SER 532 N -2.47 6.42 0.37 6.43 1.04 -1.26 -4.99 113.70 119.24 1u0e s SER 532 Ca 0.19 2.31 -0.27 0.00 0.48 0.00 0.00 55.95 58.66 1u0e s SER 532 Cb 0.18 -2.61 -0.09 0.00 0.10 0.00 0.00 66.02 63.60 1u0e s SER 532 CO 0.56 -0.74 1.29 0.00 0.98 0.00 0.00 173.24 175.33 1u0e s ALA 533 N -1.48 3.35 -0.20 5.32 0.00 -1.26 -5.02 121.76 122.47 1u0e s ALA 533 Ca 0.59 1.21 -0.08 0.00 0.00 0.00 0.00 51.96 53.68 1u0e s ALA 533 Cb -0.29 -3.47 -0.04 0.00 0.00 0.00 0.00 23.12 19.32 1u0e s ALA 533 CO 0.36 -0.70 0.09 0.08 0.00 0.00 0.00 175.76 175.59 1u0e s VAL 534 N -1.23 4.97 0.00 0.00 1.01 -1.26 -4.96 120.40 118.93 1u0e s VAL 534 Ca 0.53 0.03 0.00 0.00 0.00 0.00 0.00 61.98 62.55 1u0e s VAL 534 Cb -0.38 -3.26 0.00 0.00 0.00 0.00 0.00 36.38 32.74 1u0e s VAL 534 CO 0.49 0.43 0.64 0.35 0.00 0.00 0.00 175.10 177.02 1u0e n THR 535 N 3.71 0.41 0.41 3.92 -2.24 -1.26 -4.72 114.28 114.52 1u0e n THR 535 Ca -0.16 -0.54 0.13 0.00 -2.27 0.00 0.00 64.05 61.21 1u0e n THR 535 Cb 0.52 0.93 0.29 0.00 -2.10 0.00 0.00 70.33 69.97 1u0e n THR 535 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 1u0e h SER 536 N 0.00 0.00 -3.61 3.42 4.64 -2.00 -3.46 113.55 112.54 1u0e h SER 536 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1u0e h SER 536 Cb 0.47 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.56 1u0e h SER 536 CO 0.00 0.00 0.00 1.41 -0.87 0.00 0.00 176.83 177.37 1u0e n HIS 537 N -2.70 -1.98 -0.80 4.77 8.25 -1.26 -5.11 115.22 116.39 1u0e n HIS 537 Ca 0.05 0.00 -0.30 0.00 -0.26 0.00 0.00 57.72 57.20 1u0e n HIS 537 Cb 0.48 0.00 0.17 0.00 1.12 0.00 0.00 29.99 31.75 1u0e n HIS 537 CO 0.00 0.00 0.00 0.16 0.64 0.00 0.00 176.34 177.14 1u0e s ASP 538 N -0.98 2.89 0.56 0.41 1.47 -1.26 -4.78 116.67 114.99 1u0e s ASP 538 Ca 0.00 1.97 0.33 0.00 1.18 0.00 0.00 52.55 56.03 1u0e s ASP 538 Cb 0.00 -2.49 1.68 0.00 -0.34 0.00 0.00 42.92 41.77 1u0e s ASP 538 CO 0.00 -3.08 2.14 0.77 0.68 0.00 0.00 175.17 175.67 1u0e h SER 539 N -1.86 0.00 0.08 2.11 4.64 -1.98 -1.78 113.55 114.76 1u0e h SER 539 Ca -0.47 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 60.85 1u0e h SER 539 Cb 1.27 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.36 1u0e h SER 539 CO 0.45 0.06 -0.04 -1.28 -0.87 0.00 0.00 176.83 175.16 1u0e h SER 540 N 0.00 -0.09 -0.52 4.97 0.87 -1.98 -0.31 113.55 116.48 1u0e h SER 540 Ca -0.00 -0.52 0.07 0.00 -1.23 0.00 0.00 61.79 60.12 1u0e h SER 540 Cb 0.27 0.02 -0.06 0.00 -0.44 0.00 0.00 62.40 62.20 1u0e h SER 540 CO 0.01 0.55 0.19 0.74 -0.53 0.00 0.00 176.83 177.79 1u0e h THR 541 N -0.81 0.82 -0.68 2.23 2.02 -1.90 0.14 112.91 114.73 1u0e h THR 541 Ca -0.01 -0.13 0.05 0.00 0.77 0.00 0.00 66.41 67.09 1u0e h THR 541 Cb 0.60 0.41 -0.05 0.00 -1.74 0.00 0.00 68.15 67.37 1u0e h THR 541 CO 0.02 0.07 0.39 0.78 0.37 0.00 0.00 175.52 177.15 1u0e h ASN 542 N 0.37 0.59 -0.09 4.18 2.35 -1.38 -1.22 115.58 120.38 1u0e h ASN 542 Ca 0.25 0.02 -0.17 0.00 -0.55 0.00 0.00 56.30 55.86 1u0e h ASN 542 Cb 0.28 -0.10 -0.00 0.00 0.05 0.00 0.00 38.32 38.55 1u0e h ASN 542 CO -0.25 0.39 -0.55 1.23 -1.65 0.00 0.00 177.43 176.59 1u0e h GLY 543 N 0.73 0.75 1.00 2.83 0.00 -0.16 -1.47 103.07 106.75 1u0e h GLY 543 Ca 0.30 -0.87 -0.07 0.00 0.00 0.00 0.00 47.33 46.68 1u0e h GLY 543 CO -0.17 0.78 0.02 1.41 0.00 0.00 0.00 176.54 178.58 1u0e h LEU 544 N 0.52 0.83 -0.58 3.11 3.38 -0.57 -1.89 115.31 120.12 1u0e h LEU 544 Ca 0.01 -0.30 0.02 0.00 0.09 0.00 0.00 57.88 57.70 1u0e h LEU 544 Cb 1.12 -0.22 -0.04 0.00 0.09 0.00 0.00 40.66 41.61 1u0e h LEU 544 CO 0.11 0.93 0.36 0.40 0.09 0.00 0.00 178.44 180.33 1u0e h ILE 545 N 0.72 1.09 -0.60 1.22 2.04 -1.11 -0.81 117.51 120.06 1u0e h ILE 545 Ca 0.14 -0.25 0.04 0.00 1.00 0.00 0.00 64.86 65.80 1u0e h ILE 545 Cb 0.49 0.31 -0.05 0.00 -0.74 0.00 0.00 36.82 36.83 1u0e h ILE 545 CO 0.02 0.13 0.34 0.28 0.00 0.00 0.00 178.15 178.93 1u0e h SER 546 N 0.72 0.53 -0.39 1.72 0.02 -1.11 -0.58 113.55 114.46 1u0e h SER 546 Ca 0.23 0.02 0.01 0.00 -0.84 0.00 0.00 61.79 61.21 1u0e h SER 546 Cb -0.01 -0.09 -0.02 0.00 0.14 0.00 0.00 62.40 62.42 1u0e h SER 546 CO -0.08 0.36 0.24 0.15 -1.14 0.00 0.00 176.83 176.36 1u0e h PHE 547 N 0.66 0.45 -0.20 3.45 3.57 -1.03 0.51 116.94 124.36 1u0e h PHE 547 Ca 0.26 0.01 0.01 0.00 3.53 0.00 0.00 57.97 61.78 1u0e h PHE 547 Cb 0.11 -0.15 -0.01 0.00 2.79 0.00 0.00 35.95 38.68 1u0e h PHE 547 CO -0.07 0.27 0.11 0.82 -2.23 0.00 0.00 178.31 177.21 1u0e h ILE 548 N 0.49 1.02 -0.71 1.41 2.04 -0.70 0.13 117.51 121.19 1u0e h ILE 548 Ca 0.15 -0.08 -0.03 0.00 1.00 0.00 0.00 64.86 65.91 1u0e h ILE 548 Cb -0.02 0.76 -0.03 0.00 -0.74 0.00 0.00 36.82 36.80 1u0e h ILE 548 CO -0.06 0.04 0.34 0.11 0.00 0.00 0.00 178.15 178.58 1u0e h LYS 549 N 0.23 1.02 -0.68 2.37 1.57 -0.93 -1.43 116.57 118.73 1u0e h LYS 549 Ca 0.08 -0.15 -0.05 0.00 -1.87 0.00 0.00 60.65 58.65 1u0e h LYS 549 Cb 0.00 -0.18 -0.03 0.00 0.08 0.00 0.00 32.23 32.10 1u0e h LYS 549 CO -0.04 0.80 0.21 0.37 -0.57 0.00 0.00 179.45 180.23 1u0e h GLN 550 N 0.99 1.06 -0.00 3.15 -0.00 -0.53 -3.24 115.11 116.53 1u0e h GLN 550 Ca 0.24 -0.23 0.00 0.00 -0.00 0.00 0.00 58.65 58.67 1u0e h GLN 550 Cb 0.12 -0.15 0.00 0.00 0.00 0.00 0.00 27.48 27.45 1u0e h GLN 550 CO -0.03 0.91 -0.48 1.04 0.00 0.00 0.00 178.83 180.27 1u0e n GLN 551 N -4.32 0.13 -0.34 1.69 1.13 -0.00 -4.33 117.38 111.34 1u0e n GLN 551 Ca 0.05 -0.08 0.12 0.00 -1.94 0.00 0.00 57.00 55.15 1u0e n GLN 551 Cb 0.22 -1.50 0.33 0.00 0.11 0.00 0.00 30.24 29.40 1u0e n GLN 551 CO 0.00 0.00 0.00 -0.09 -1.44 0.00 0.00 177.06 175.53 1u0e h ARG 552 N 0.20 0.75 -0.23 -1.09 2.43 -1.29 -2.93 114.38 112.22 1u0e h ARG 552 Ca 0.00 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.12 1u0e h ARG 552 Cb 0.50 -0.17 0.00 0.00 -0.42 0.00 0.00 29.97 29.88 1u0e h ARG 552 CO 0.00 0.50 0.00 -0.25 -1.51 0.00 0.00 179.97 178.71 1u0e n ASP 553 N -4.69 3.13 -4.67 -3.80 8.00 -1.26 -4.98 116.55 108.27 1u0e n ASP 553 Ca 0.22 -2.52 -0.42 0.00 0.71 0.00 0.00 54.79 52.78 1u0e n ASP 553 Cb 0.54 -0.35 -0.03 0.00 -0.02 0.00 0.00 41.12 41.26 1u0e n ASP 553 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1u0e s THR 554 N -1.92 3.42 -1.02 -3.53 2.01 -1.11 -4.94 115.64 108.55 1u0e s THR 554 Ca 0.29 0.64 -0.17 0.00 0.31 0.00 0.00 61.69 62.76 1u0e s THR 554 Cb 0.21 -3.41 0.15 0.00 0.01 0.00 0.00 72.50 69.46 1u0e s THR 554 CO 0.10 -0.04 1.22 -0.54 -0.69 0.00 0.00 174.62 174.66 1u0e s LYS 555 N 3.60 3.77 0.00 4.92 1.02 -1.26 -5.13 119.74 126.66 1u0e s LYS 555 Ca 0.74 -2.08 0.28 0.00 0.02 0.00 0.00 55.97 54.93 1u0e s LYS 555 Cb -0.35 -4.94 1.66 0.00 -0.52 0.00 0.00 37.83 33.68 1u0e s LYS 555 CO 0.31 -1.75 2.01 1.28 -0.92 0.00 0.00 175.35 176.28