#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1i2d s ASN 3 N 0.00 -0.20 0.34 0.00 3.04 -1.19 -4.76 114.94 112.17 1i2d s ASN 3 Ca 0.00 -0.28 -0.27 0.00 0.04 0.00 0.00 52.86 52.35 1i2d s ASN 3 Cb 0.00 0.44 -0.09 0.00 -1.54 0.00 0.00 41.25 40.06 1i2d s ASN 3 CO 0.00 -0.79 1.08 0.00 -3.04 0.00 0.00 177.10 174.34 1i2d s ALA 4 N -3.49 3.25 0.91 1.71 0.00 -1.26 -4.65 121.76 118.23 1i2d s ALA 4 Ca 0.01 0.81 -0.13 0.00 0.00 0.00 0.00 51.96 52.64 1i2d s ALA 4 Cb 0.02 -3.30 0.03 0.00 0.00 0.00 0.00 23.12 19.86 1i2d s ALA 4 CO -0.10 -0.19 0.46 -2.30 0.00 0.00 0.00 175.76 173.63 1i2d n PRO 5 N 0.58 -0.18 -2.46 0.00 -0.02 -1.26 -4.80 135.00 126.86 1i2d n PRO 5 Ca 0.02 -0.01 -0.43 0.00 -2.02 0.00 0.00 63.50 61.07 1i2d n PRO 5 Cb 0.47 -1.87 -0.02 0.00 -0.02 0.00 0.00 33.50 32.05 1i2d n PRO 5 CO 0.00 0.00 0.00 -1.58 1.98 0.00 0.00 175.50 175.90 1i2d s HIS 6 N -2.31 3.10 0.00 6.00 2.46 -1.26 -2.30 115.29 120.98 1i2d s HIS 6 Ca 0.59 1.17 0.00 0.00 0.47 0.00 0.00 55.06 57.29 1i2d s HIS 6 Cb -0.24 -3.44 0.00 0.00 -0.13 0.00 0.00 32.58 28.78 1i2d s HIS 6 CO 0.65 -1.38 0.00 0.41 -2.47 0.00 0.00 174.74 171.96 1i2d n GLY 7 N 3.43 0.65 1.56 1.59 0.00 -1.26 -3.09 105.19 108.06 1i2d n GLY 7 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.14 1i2d n GLY 7 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1i2d n GLY 8 N -2.00 3.18 3.03 -0.02 0.00 -0.97 -5.00 105.19 103.40 1i2d n GLY 8 Ca 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.76 1i2d n GLY 8 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1i2d s VAL 9 N -2.12 1.24 -0.19 1.61 1.01 -1.26 -4.72 120.40 115.97 1i2d s VAL 9 Ca 0.00 -0.52 -0.29 0.00 0.00 0.00 0.00 61.98 61.17 1i2d s VAL 9 Cb 0.00 -1.14 -0.01 0.00 0.00 0.00 0.00 36.38 35.24 1i2d s VAL 9 CO 0.00 0.38 1.18 -0.22 0.00 0.00 0.00 175.10 176.44 1i2d s LEU 10 N 0.78 4.15 -1.07 3.92 2.96 -1.26 -4.73 118.68 123.44 1i2d s LEU 10 Ca -0.12 1.58 -0.08 0.00 -0.22 0.00 0.00 54.13 55.28 1i2d s LEU 10 Cb -0.16 -3.54 -0.14 0.00 0.50 0.00 0.00 46.19 42.85 1i2d s LEU 10 CO 0.02 -0.72 3.12 0.29 -1.32 0.00 0.00 176.35 177.74 1i2d n LYS 11 N 6.47 3.06 -2.16 1.98 4.01 -1.26 -4.86 118.16 125.40 1i2d n LYS 11 Ca 0.13 -1.77 -0.41 0.00 -0.51 0.00 0.00 58.31 55.76 1i2d n LYS 11 Cb 0.45 -2.52 -0.01 0.00 -0.51 0.00 0.00 35.03 32.44 1i2d n LYS 11 CO 0.00 0.00 0.00 -3.47 -1.11 0.00 0.00 177.40 172.82 1i2d n ASP 12 N 3.26 4.18 -0.27 4.39 -0.08 -1.26 -2.87 116.55 123.90 1i2d n ASP 12 Ca 0.65 -2.85 0.14 0.00 -1.51 0.00 0.00 54.79 51.23 1i2d n ASP 12 Cb 0.44 -1.67 0.41 0.00 2.34 0.00 0.00 41.12 42.64 1i2d n ASP 12 CO 0.00 0.00 0.00 -0.07 0.12 0.00 0.00 177.20 177.25 1i2d h LEU 13 N 12.77 0.59 -1.02 -2.67 3.38 -1.37 0.14 115.31 127.13 1i2d h LEU 13 Ca 0.44 0.05 -0.08 0.00 0.09 0.00 0.00 57.88 58.38 1i2d h LEU 13 Cb 0.80 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 41.47 1i2d h LEU 13 CO 1.58 0.27 -0.17 -0.07 0.09 0.00 0.00 178.44 180.14 1i2d h LEU 14 N 0.61 0.49 -0.10 1.67 3.38 -1.57 -1.41 115.31 118.38 1i2d h LEU 14 Ca 0.47 -0.14 -0.24 0.00 0.09 0.00 0.00 57.88 58.06 1i2d h LEU 14 Cb 0.88 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.49 1i2d h LEU 14 CO -0.22 0.68 -1.02 0.00 0.09 0.00 0.00 178.44 177.97 1i2d h ALA 15 N 1.36 0.31 0.37 1.53 0.00 -1.11 -2.95 119.26 118.77 1i2d h ALA 15 Ca 0.08 -0.77 -0.02 0.00 0.00 0.00 0.00 54.91 54.20 1i2d h ALA 15 Cb 0.56 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.33 1i2d h ALA 15 CO 0.04 0.89 -0.18 -0.09 0.00 0.00 0.00 179.25 179.91 1i2d h ARG 16 N 0.15 -0.47 -0.58 0.00 2.43 -0.66 -3.12 114.38 112.13 1i2d h ARG 16 Ca -0.09 0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.11 1i2d h ARG 16 Cb 1.69 0.11 0.00 0.00 -0.42 0.00 0.00 29.97 31.35 1i2d h ARG 16 CO 0.17 -0.29 0.00 -0.25 -1.51 0.00 0.00 179.97 178.09 1i2d n ASP 17 N -5.28 2.34 -0.08 -3.80 8.00 -0.56 -4.36 116.55 112.81 1i2d n ASP 17 Ca -0.11 -2.20 0.00 0.00 0.71 0.00 0.00 54.79 53.19 1i2d n ASP 17 Cb 0.23 -0.40 0.29 0.00 -0.02 0.00 0.00 41.12 41.21 1i2d n ASP 17 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1i2d h ALA 18 N 3.18 1.43 0.00 2.24 0.00 -1.45 -2.54 119.26 122.12 1i2d h ALA 18 Ca 0.00 -0.13 -0.06 0.00 0.00 0.00 0.00 54.91 54.72 1i2d h ALA 18 Cb 0.78 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 1i2d h ALA 18 CO 0.11 0.44 -0.30 -1.35 0.00 0.00 0.00 179.25 178.14 1i2d h PRO 19 N 0.70 0.00 -0.64 0.00 0.11 -1.83 -3.08 132.00 127.27 1i2d h PRO 19 Ca 0.17 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.28 1i2d h PRO 19 Cb 0.13 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.24 1i2d h PRO 19 CO -0.02 0.30 0.00 0.54 -0.21 0.00 0.00 178.00 178.61 1i2d n ARG 20 N -3.50 2.80 -0.03 1.05 1.74 -0.97 -4.70 116.66 113.05 1i2d n ARG 20 Ca -0.00 -2.35 -0.14 0.00 -0.77 0.00 0.00 57.85 54.59 1i2d n ARG 20 Cb 0.46 -1.61 -0.09 0.00 -1.02 0.00 0.00 32.46 30.20 1i2d n ARG 20 CO 0.00 0.00 0.00 0.37 -1.52 0.00 0.00 177.63 176.48 1i2d h GLN 21 N 3.65 -0.50 -0.57 5.56 -0.00 -1.42 0.47 115.11 122.29 1i2d h GLN 21 Ca 0.00 0.03 0.11 0.00 -0.00 0.00 0.00 58.65 58.80 1i2d h GLN 21 Cb 1.01 0.11 -0.11 0.00 0.00 0.00 0.00 27.48 28.49 1i2d h GLN 21 CO 0.07 -0.33 -0.15 0.00 0.00 0.00 0.00 178.83 178.43 1i2d h ALA 22 N -0.32 0.37 0.13 3.38 0.00 -1.87 0.15 119.26 121.10 1i2d h ALA 22 Ca 0.04 0.22 -0.01 0.00 0.00 0.00 0.00 54.91 55.16 1i2d h ALA 22 Cb 0.63 0.44 0.00 0.00 0.00 0.00 0.00 17.79 18.86 1i2d h ALA 22 CO -0.44 -0.44 -0.06 0.93 0.00 0.00 0.00 179.25 179.24 1i2d h GLU 23 N -0.01 -0.17 -0.58 0.00 5.08 -1.81 -1.43 114.58 115.67 1i2d h GLU 23 Ca 0.27 0.01 0.03 0.00 -1.00 0.00 0.00 59.36 58.67 1i2d h GLU 23 Cb 0.42 0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.68 1i2d h GLU 23 CO -0.59 0.01 0.39 -0.07 -1.00 0.00 0.00 179.01 177.74 1i2d h LEU 24 N -0.31 0.59 0.46 1.33 3.38 -0.36 0.29 115.31 120.70 1i2d h LEU 24 Ca -0.02 -0.01 -0.02 0.00 0.09 0.00 0.00 57.88 57.92 1i2d h LEU 24 Cb 0.25 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 40.87 1i2d h LEU 24 CO 0.03 0.41 -0.22 0.00 0.09 0.00 0.00 178.44 178.75 1i2d h ALA 25 N 1.66 -0.62 -0.17 1.53 0.00 -0.47 -0.43 119.26 120.76 1i2d h ALA 25 Ca 0.23 -0.16 0.05 0.00 0.00 0.00 0.00 54.91 55.03 1i2d h ALA 25 Cb 0.07 0.24 -0.06 0.00 0.00 0.00 0.00 17.79 18.04 1i2d h ALA 25 CO -0.06 -0.79 -0.20 0.00 0.00 0.00 0.00 179.25 178.20 1i2d h ALA 26 N -0.23 -0.11 0.00 0.00 0.00 -0.74 -1.18 119.26 116.99 1i2d h ALA 26 Ca -0.06 0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 1i2d h ALA 26 Cb 0.53 0.40 -0.00 0.00 0.00 0.00 0.00 17.79 18.72 1i2d h ALA 26 CO 0.10 -0.64 -0.02 1.49 0.00 0.00 0.00 179.25 180.18 1i2d h GLU 27 N -0.23 0.00 0.00 0.00 4.81 -0.86 -2.30 114.58 115.99 1i2d h GLU 27 Ca 0.11 0.00 -0.09 0.00 -0.13 0.00 0.00 59.36 59.26 1i2d h GLU 27 Cb 0.40 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.77 1i2d h GLU 27 CO -0.30 0.02 -0.41 0.00 -0.73 0.00 0.00 179.01 177.59 1i2d h ALA 28 N 1.98 1.06 0.00 2.92 0.00 0.17 -2.59 119.26 122.80 1i2d h ALA 28 Ca -0.00 -0.37 -0.01 0.00 0.00 0.00 0.00 54.91 54.52 1i2d h ALA 28 Cb 0.05 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 17.77 1i2d h ALA 28 CO 0.00 0.51 -0.06 0.93 0.00 0.00 0.00 179.25 180.63 1i2d h GLU 29 N 0.00 0.00 0.00 0.00 4.39 -0.97 -3.23 114.58 114.77 1i2d h GLU 29 Ca -0.00 0.00 -0.09 0.00 0.34 0.00 0.00 59.36 59.60 1i2d h GLU 29 Cb 0.87 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.51 1i2d h GLU 29 CO 0.05 0.06 -1.84 0.43 -1.16 0.00 0.00 179.01 176.55 1i2d n SER 30 N -3.31 0.24 -4.91 1.42 7.64 -0.98 -4.99 113.62 108.73 1i2d n SER 30 Ca -0.01 0.10 -0.27 0.00 1.01 0.00 0.00 58.87 59.70 1i2d n SER 30 Cb 0.24 1.33 0.02 0.00 -1.01 0.00 0.00 64.21 64.79 1i2d n SER 30 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1i2d s LEU 31 N -5.00 3.32 0.04 -3.43 1.43 -1.19 -4.99 118.68 108.86 1i2d s LEU 31 Ca -0.07 0.81 -0.31 0.00 -1.03 0.00 0.00 54.13 53.54 1i2d s LEU 31 Cb 0.11 -3.68 -0.07 0.00 0.03 0.00 0.00 46.19 42.58 1i2d s LEU 31 CO 0.86 -0.94 1.49 -2.16 0.23 0.00 0.00 176.35 175.83 1i2d s PRO 32 N -4.95 4.26 0.07 1.29 0.04 -1.26 -4.67 135.00 129.77 1i2d s PRO 32 Ca 0.52 2.12 -0.10 0.00 0.04 0.00 0.00 61.00 63.58 1i2d s PRO 32 Cb -0.10 -3.53 -0.06 0.00 0.04 0.00 0.00 34.50 30.85 1i2d s PRO 32 CO 0.46 -0.62 0.39 0.00 0.04 0.00 0.00 177.00 177.27 1i2d s ALA 33 N 2.30 3.73 -0.13 8.56 0.00 -1.26 -2.14 121.76 132.81 1i2d s ALA 33 Ca 0.68 -0.38 0.01 0.00 0.00 0.00 0.00 51.96 52.27 1i2d s ALA 33 Cb -0.35 -2.26 -0.00 0.00 0.00 0.00 0.00 23.12 20.50 1i2d s ALA 33 CO 0.29 0.56 -0.18 0.08 0.00 0.00 0.00 175.76 176.52 1i2d s VAL 34 N -1.37 2.53 -0.17 0.00 1.01 0.13 -4.89 120.40 117.64 1i2d s VAL 34 Ca 0.32 -0.84 -0.19 0.00 0.00 0.00 0.00 61.98 61.27 1i2d s VAL 34 Cb -0.14 -2.04 -0.03 0.00 0.00 0.00 0.00 36.38 34.17 1i2d s VAL 34 CO 0.17 0.53 0.54 -0.89 0.00 0.00 0.00 175.10 175.46 1i2d s THR 35 N 0.57 5.11 0.42 3.92 2.01 -1.26 -1.39 115.64 125.01 1i2d s THR 35 Ca -0.11 1.03 -0.22 0.00 0.31 0.00 0.00 61.69 62.70 1i2d s THR 35 Cb -0.16 -3.87 -0.09 0.00 0.01 0.00 0.00 72.50 68.38 1i2d s THR 35 CO 0.04 0.21 1.01 -0.76 -0.69 0.00 0.00 174.62 174.42 1i2d s LEU 36 N 1.38 4.02 0.88 4.42 1.43 -0.58 -4.94 118.68 125.29 1i2d s LEU 36 Ca 0.26 1.89 -0.14 0.00 -1.03 0.00 0.00 54.13 55.11 1i2d s LEU 36 Cb -0.16 -4.37 0.13 0.00 0.03 0.00 0.00 46.19 41.83 1i2d s LEU 36 CO 0.10 -0.49 1.24 0.42 0.23 0.00 0.00 176.35 177.86 1i2d s THR 37 N -1.89 2.00 0.14 5.49 -4.23 -1.26 -4.31 115.64 111.58 1i2d s THR 37 Ca 0.61 -0.00 -0.15 0.00 -1.18 0.00 0.00 61.69 60.97 1i2d s THR 37 Cb -0.16 -3.00 0.01 0.00 1.34 0.00 0.00 72.50 70.69 1i2d s THR 37 CO 0.21 0.00 1.68 -0.08 -0.54 0.00 0.00 174.62 175.89 1i2d h GLU 38 N -1.31 0.68 -0.41 3.99 4.81 -1.99 -1.75 114.58 118.60 1i2d h GLU 38 Ca -0.45 -0.14 -0.04 0.00 -0.13 0.00 0.00 59.36 58.60 1i2d h GLU 38 Cb 1.29 -0.10 -0.02 0.00 0.63 0.00 0.00 28.75 30.54 1i2d h GLU 38 CO 0.54 0.64 0.08 -0.09 -0.73 0.00 0.00 179.01 179.45 1i2d h ARG 39 N 0.58 0.61 -0.00 1.92 2.43 -1.98 -1.61 114.38 116.33 1i2d h ARG 39 Ca 0.15 -0.11 -0.14 0.00 -0.81 0.00 0.00 59.98 59.07 1i2d h ARG 39 Cb 0.23 -0.10 -0.02 0.00 -0.42 0.00 0.00 29.97 29.66 1i2d h ARG 39 CO -0.01 0.57 -0.65 1.96 -1.51 0.00 0.00 179.97 180.33 1i2d h GLN 40 N 0.59 0.01 0.00 0.20 4.20 -1.91 -2.35 115.11 115.86 1i2d h GLN 40 Ca 0.14 -0.01 -0.08 0.00 0.06 0.00 0.00 58.65 58.76 1i2d h GLN 40 Cb 0.25 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.02 1i2d h GLN 40 CO -0.00 0.66 -0.38 -0.07 -0.67 0.00 0.00 178.83 178.37 1i2d h LEU 41 N 0.01 0.00 -0.09 1.46 3.38 -0.38 0.26 115.31 119.94 1i2d h LEU 41 Ca -0.01 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.85 1i2d h LEU 41 Cb 1.16 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.91 1i2d h LEU 41 CO 0.09 0.38 -0.40 0.00 0.09 0.00 0.00 178.44 178.60 1i2d h ASP 43 N -0.02 0.81 -0.62 0.00 3.32 -1.21 -2.61 116.42 116.09 1i2d h ASP 43 Ca -0.02 -0.24 -0.06 0.00 0.02 0.00 0.00 57.03 56.73 1i2d h ASP 43 Cb 1.04 -0.22 -0.03 0.00 0.22 0.00 0.00 39.33 40.35 1i2d h ASP 43 CO 0.08 0.85 0.18 0.25 -1.72 0.00 0.00 179.24 178.88 1i2d h LEU 44 N 0.74 0.94 -0.46 1.55 5.85 -0.47 -0.62 115.31 122.85 1i2d h LEU 44 Ca 0.16 -0.17 -0.02 0.00 0.84 0.00 0.00 57.88 58.69 1i2d h LEU 44 Cb 0.36 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 41.13 1i2d h LEU 44 CO 0.01 0.90 0.20 -0.08 -0.34 0.00 0.00 178.44 179.12 1i2d h GLU 45 N 0.97 0.67 0.00 1.25 4.81 -1.15 -0.74 114.58 120.39 1i2d h GLU 45 Ca 0.21 -0.11 -0.07 0.00 -0.13 0.00 0.00 59.36 59.26 1i2d h GLU 45 Cb 0.31 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 29.56 1i2d h GLU 45 CO -0.00 0.60 -0.34 -0.07 -0.73 0.00 0.00 179.01 178.46 1i2d h LEU 46 N 0.59 0.00 0.17 1.64 3.38 -1.23 -2.43 115.31 117.42 1i2d h LEU 46 Ca 0.15 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.12 1i2d h LEU 46 Cb 0.16 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.92 1i2d h LEU 46 CO -0.02 0.34 -0.08 0.40 0.09 0.00 0.00 178.44 179.18 1i2d h ILE 47 N 0.00 0.00 -1.18 1.22 2.04 -0.83 0.12 117.51 118.88 1i2d h ILE 47 Ca -0.00 -0.23 0.34 0.00 1.00 0.00 0.00 64.86 65.97 1i2d h ILE 47 Cb 0.91 0.00 -0.05 0.00 -0.74 0.00 0.00 36.82 36.94 1i2d h ILE 47 CO 0.04 0.00 0.86 0.24 0.00 0.00 0.00 178.15 179.29 1i2d h MET 48 N -0.45 0.00 -0.02 2.37 2.86 -1.15 -1.51 114.93 117.03 1i2d h MET 48 Ca -0.02 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.62 1i2d h MET 48 Cb 0.17 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.83 1i2d h MET 48 CO 0.04 0.00 -0.14 0.27 1.06 0.00 0.00 176.91 178.14 1i2d n ASN 49 N -4.16 2.21 0.00 1.22 0.23 -0.92 -1.10 115.26 112.74 1i2d n ASN 49 Ca 0.25 -1.65 0.00 0.00 -0.53 0.00 0.00 54.58 52.66 1i2d n ASN 49 Cb 1.25 0.13 0.00 0.00 -2.08 0.00 0.00 39.78 39.07 1i2d n ASN 49 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1i2d n GLY 50 N 1.33 0.33 0.37 4.83 0.00 -0.57 -4.35 105.19 107.13 1i2d n GLY 50 Ca 0.14 0.00 0.18 0.00 0.00 0.00 0.00 46.02 46.34 1i2d n GLY 50 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1i2d h GLY 51 N 0.00 0.21 -2.41 -0.02 0.00 -0.98 0.18 103.07 100.05 1i2d h GLY 51 Ca 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 47.33 47.27 1i2d h GLY 51 CO 0.00 0.02 0.00 0.69 0.00 0.00 0.00 176.54 177.25 1i2d n PHE 52 N -4.41 0.64 -1.24 5.60 0.99 -0.82 -4.32 117.46 113.91 1i2d n PHE 52 Ca 0.10 -0.33 -0.42 0.00 -0.00 0.00 0.00 57.45 56.81 1i2d n PHE 52 Cb 0.55 -0.00 -0.02 0.00 -1.00 0.00 0.00 39.48 39.01 1i2d n PHE 52 CO 0.00 0.00 0.00 0.43 -0.00 0.00 0.00 176.76 177.19 1i2d n SER 53 N 1.53 -1.44 0.22 4.37 7.64 0.05 -2.20 113.62 123.80 1i2d n SER 53 Ca 0.21 0.95 0.10 0.00 1.01 0.00 0.00 58.87 61.14 1i2d n SER 53 Cb 0.61 -0.84 0.48 0.00 -1.01 0.00 0.00 64.21 63.45 1i2d n SER 53 CO 0.00 0.00 0.00 1.55 -3.01 0.00 0.00 175.04 173.58 1i2d h PRO 54 N 0.76 0.00 -5.37 1.43 0.13 -1.83 -3.41 132.00 123.71 1i2d h PRO 54 Ca -0.27 0.00 -0.59 0.00 -0.87 0.00 0.00 66.00 64.27 1i2d h PRO 54 Cb 1.29 0.00 0.11 0.00 0.13 0.00 0.00 31.00 32.53 1i2d h PRO 54 CO 0.49 0.22 -0.57 -0.11 -0.23 0.00 0.00 178.00 177.79 1i2d n LEU 55 N -3.40 -1.50 -1.94 1.56 7.94 -0.93 -4.84 117.00 113.89 1i2d n LEU 55 Ca 0.00 0.94 -0.00 0.00 -1.11 0.00 0.00 56.01 55.84 1i2d n LEU 55 Cb 0.42 -0.83 0.03 0.00 0.53 0.00 0.00 43.42 43.56 1i2d n LEU 55 CO 0.33 -2.96 0.18 -1.84 -1.11 0.00 0.00 177.39 171.99 1i2d n GLU 56 N 0.98 0.67 0.00 1.96 0.28 -1.26 -4.79 120.64 118.47 1i2d n GLU 56 Ca 0.15 -2.10 0.00 0.00 -0.16 0.00 0.00 57.16 55.04 1i2d n GLU 56 Cb 0.26 -0.28 0.00 0.00 1.43 0.00 0.00 31.44 32.85 1i2d n GLU 56 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1i2d n GLY 57 N -0.20 -0.13 3.75 -1.84 0.00 -1.26 -1.72 105.19 103.80 1i2d n GLY 57 Ca -0.04 -1.04 -0.41 0.00 0.00 0.00 0.00 46.02 44.53 1i2d n GLY 57 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1i2d s PHE 58 N -2.00 3.40 0.15 1.61 0.40 -0.84 -4.89 117.98 115.82 1i2d s PHE 58 Ca 0.00 1.52 -0.34 0.00 -0.60 0.00 0.00 56.93 57.50 1i2d s PHE 58 Cb 0.00 -3.43 -0.15 0.00 0.51 0.00 0.00 43.02 39.95 1i2d s PHE 58 CO 0.00 -1.12 1.46 -1.33 0.70 0.00 0.00 175.22 174.93 1i2d n MET 59 N 1.67 1.80 -2.72 0.44 2.81 -0.20 -0.82 117.12 120.10 1i2d n MET 59 Ca 0.01 0.65 -0.23 0.00 -1.81 0.00 0.00 57.70 56.32 1i2d n MET 59 Cb 0.44 -2.35 0.03 0.00 -0.71 0.00 0.00 33.22 30.63 1i2d n MET 59 CO 0.00 0.00 0.00 0.54 1.51 0.00 0.00 175.97 178.02 1i2d s ASN 60 N 0.65 5.51 0.47 7.83 2.20 -1.26 -3.81 114.94 126.53 1i2d s ASN 60 Ca 0.78 0.25 0.18 0.00 -0.94 0.00 0.00 52.86 53.13 1i2d s ASN 60 Cb -0.76 -1.28 1.16 0.00 -2.00 0.00 0.00 41.25 38.37 1i2d s ASN 60 CO 0.43 -0.98 1.98 -0.61 -2.94 0.00 0.00 177.10 174.97 1i2d h GLN 61 N 0.12 0.26 0.34 3.55 4.15 -1.95 0.39 115.11 121.97 1i2d h GLN 61 Ca -0.44 -0.02 -0.02 0.00 0.77 0.00 0.00 58.65 58.94 1i2d h GLN 61 Cb 1.27 -0.06 0.00 0.00 0.21 0.00 0.00 27.48 28.91 1i2d h GLN 61 CO 0.56 0.17 -0.16 0.00 -1.93 0.00 0.00 178.83 177.47 1i2d h ALA 62 N 1.71 -0.45 0.28 3.38 0.00 -2.00 0.44 119.26 122.61 1i2d h ALA 62 Ca 0.28 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 55.06 1i2d h ALA 62 Cb 0.76 0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.72 1i2d h ALA 62 CO -0.06 -0.72 -0.13 -0.44 0.00 0.00 0.00 179.25 177.90 1i2d h ASP 63 N -0.53 -0.31 -0.12 0.00 3.32 -1.73 -2.87 116.42 114.18 1i2d h ASP 63 Ca -0.05 -0.05 0.03 0.00 0.02 0.00 0.00 57.03 56.99 1i2d h ASP 63 Cb 0.39 0.08 -0.06 0.00 0.22 0.00 0.00 39.33 39.96 1i2d h ASP 63 CO 0.08 -0.15 -0.50 0.22 -1.72 0.00 0.00 179.24 177.17 1i2d h TYR 64 N -0.45 -1.46 -0.84 4.55 3.20 -0.20 -2.54 116.97 119.23 1i2d h TYR 64 Ca -0.04 0.06 0.07 0.00 3.14 0.00 0.00 58.73 61.96 1i2d h TYR 64 Cb 0.34 0.65 -0.06 0.00 1.54 0.00 0.00 36.73 39.20 1i2d h TYR 64 CO -0.03 -0.53 0.51 -0.44 -1.64 0.00 0.00 178.16 176.03 1i2d h ASP 65 N -0.56 0.78 0.41 -2.11 3.32 -0.92 0.36 116.42 117.69 1i2d h ASP 65 Ca 0.05 0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.12 1i2d h ASP 65 Cb 0.67 -0.14 0.00 0.00 0.22 0.00 0.00 39.33 40.08 1i2d h ASP 65 CO -0.42 0.49 0.00 -0.09 -1.72 0.00 0.00 179.24 177.50 1i2d h ARG 66 N 0.91 0.00 0.00 3.56 9.65 -1.23 -2.31 114.38 124.96 1i2d h ARG 66 Ca 0.37 0.00 -0.20 0.00 -1.10 0.00 0.00 59.98 59.05 1i2d h ARG 66 Cb 0.22 0.00 -0.03 0.00 -1.39 0.00 0.00 29.97 28.77 1i2d h ARG 66 CO -0.19 0.00 -1.36 0.28 2.80 0.00 0.00 179.97 181.50 1i2d n VAL 67 N -2.56 1.50 -0.35 0.20 0.31 -0.08 -0.30 118.33 117.06 1i2d n VAL 67 Ca -0.00 -0.03 0.33 0.00 -0.01 0.00 0.00 64.34 64.63 1i2d n VAL 67 Cb 0.15 -2.13 0.51 0.00 -0.91 0.00 0.00 33.84 31.46 1i2d n VAL 67 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1i2d n GLU 69 N -3.28 4.17 0.00 0.00 0.28 -0.90 -4.50 120.64 116.41 1i2d n GLU 69 Ca 0.28 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.28 1i2d n GLU 69 Cb 1.54 -0.35 0.00 0.00 1.43 0.00 0.00 31.44 34.06 1i2d n GLU 69 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 177.13 176.72 1i2d n ASP 70 N -0.01 1.59 -2.79 -1.84 9.92 0.59 -4.99 116.55 119.03 1i2d n ASP 70 Ca 0.00 -1.60 -0.19 0.00 -0.53 0.00 0.00 54.79 52.47 1i2d n ASP 70 Cb 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.48 1i2d n ASP 70 CO 0.00 0.00 0.00 0.59 0.13 0.00 0.00 177.20 177.92 1i2d n ASN 71 N -0.30 -4.77 -4.00 -2.24 3.02 -0.71 -4.90 115.26 101.36 1i2d n ASN 71 Ca 0.00 -0.09 -0.08 0.00 -0.03 0.00 0.00 54.58 54.37 1i2d n ASN 71 Cb 0.15 -3.96 -0.10 0.00 -0.61 0.00 0.00 39.78 35.27 1i2d n ASN 71 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 1i2d s ARG 72 N -5.42 0.55 0.32 3.52 0.52 -0.85 -1.60 118.95 115.98 1i2d s ARG 72 Ca 0.17 -0.91 -0.01 0.00 -0.52 0.00 0.00 55.73 54.46 1i2d s ARG 72 Cb -0.08 0.20 -0.04 0.00 0.52 0.00 0.00 34.95 35.55 1i2d s ARG 72 CO 0.20 -0.12 0.53 -0.51 0.02 0.00 0.00 175.30 175.42 1i2d s LEU 73 N -2.32 4.05 0.37 2.53 1.43 0.12 -2.50 118.68 122.36 1i2d s LEU 73 Ca -0.02 0.49 0.17 0.00 -1.03 0.00 0.00 54.13 53.74 1i2d s LEU 73 Cb 0.01 -3.33 1.11 0.00 0.03 0.00 0.00 46.19 44.00 1i2d s LEU 73 CO -0.06 -0.24 1.69 0.00 0.23 0.00 0.00 176.35 177.97 1i2d h ALA 74 N 1.10 2.11 0.00 4.21 0.00 -1.80 0.76 119.26 125.65 1i2d h ALA 74 Ca -0.49 0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.56 1i2d h ALA 74 Cb 1.21 0.11 0.00 0.00 0.00 0.00 0.00 17.79 19.11 1i2d h ALA 74 CO 0.63 -0.66 0.00 -0.40 0.00 0.00 0.00 179.25 178.82 1i2d n ASP 75 N -4.87 0.00 0.00 0.00 3.85 -1.26 -4.86 116.55 109.41 1i2d n ASP 75 Ca 0.30 -0.80 0.00 0.00 -0.71 0.00 0.00 54.79 53.58 1i2d n ASP 75 Cb 0.99 0.00 0.00 0.00 -1.35 0.00 0.00 41.12 40.76 1i2d n ASP 75 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1i2d n GLY 76 N 0.06 2.82 3.65 6.12 0.00 0.27 -5.04 105.19 113.06 1i2d n GLY 76 Ca 0.07 -0.10 -0.42 0.00 0.00 0.00 0.00 46.02 45.56 1i2d n GLY 76 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1i2d n ASN 77 N 0.42 1.91 -4.77 1.61 4.13 -1.26 -4.51 115.26 112.79 1i2d n ASN 77 Ca 0.00 1.13 -0.38 0.00 1.68 0.00 0.00 54.58 57.00 1i2d n ASN 77 Cb 0.00 -1.40 -0.02 0.00 -1.54 0.00 0.00 39.78 36.81 1i2d n ASN 77 CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 1i2d s VAL 78 N -1.17 3.26 -0.30 2.41 1.01 -1.26 -0.71 120.40 123.64 1i2d s VAL 78 Ca 0.60 1.06 -0.08 0.00 0.00 0.00 0.00 61.98 63.56 1i2d s VAL 78 Cb -0.58 -3.60 0.18 0.00 0.00 0.00 0.00 36.38 32.39 1i2d s VAL 78 CO 0.59 0.10 0.94 0.12 0.00 0.00 0.00 175.10 176.85 1i2d s PHE 79 N -1.42 -0.81 -2.21 5.22 5.36 -0.63 -4.81 117.98 118.68 1i2d s PHE 79 Ca 0.56 0.64 0.19 0.00 -0.96 0.00 0.00 56.93 57.36 1i2d s PHE 79 Cb -0.30 0.20 0.67 0.00 -0.34 0.00 0.00 43.02 43.26 1i2d s PHE 79 CO 0.37 -0.46 1.49 -1.13 -1.46 0.00 0.00 175.22 174.04 1i2d n SER 80 N 5.32 1.66 -3.87 6.13 3.41 -1.26 -3.59 113.62 121.42 1i2d n SER 80 Ca 0.02 -1.76 -0.24 0.00 -0.26 0.00 0.00 58.87 56.63 1i2d n SER 80 Cb 0.55 -0.13 -0.17 0.00 -0.26 0.00 0.00 64.21 64.20 1i2d n SER 80 CO 0.00 0.00 0.00 -0.32 -0.16 0.00 0.00 175.04 174.56 1i2d s MET 81 N -1.74 1.12 0.04 4.33 -2.45 -1.26 -4.78 119.30 114.56 1i2d s MET 81 Ca 0.30 -0.12 -0.30 0.00 -1.25 0.00 0.00 55.69 54.32 1i2d s MET 81 Cb 0.16 -1.25 -0.08 0.00 1.25 0.00 0.00 34.83 34.91 1i2d s MET 81 CO 0.24 -0.22 1.79 -1.25 1.05 0.00 0.00 175.02 176.62 1i2d s PRO 82 N 1.58 4.16 -0.45 4.11 0.04 -1.26 -4.96 135.00 138.22 1i2d s PRO 82 Ca 0.01 2.44 0.03 0.00 0.04 0.00 0.00 61.00 63.52 1i2d s PRO 82 Cb -0.13 -3.87 0.12 0.00 0.04 0.00 0.00 34.50 30.66 1i2d s PRO 82 CO -0.05 -0.85 0.19 0.42 0.04 0.00 0.00 177.00 176.75 1i2d s ILE 83 N 3.57 2.55 0.24 0.56 -1.09 -1.26 -5.09 121.20 120.69 1i2d s ILE 83 Ca 0.80 -2.90 0.07 0.00 -2.23 0.00 0.00 60.65 56.39 1i2d s ILE 83 Cb -0.40 -2.81 -0.05 0.00 -1.58 0.00 0.00 42.46 37.62 1i2d s ILE 83 CO 0.35 -0.72 -0.11 0.42 -1.23 0.00 0.00 174.94 173.65 1i2d s THR 84 N 0.21 1.74 -0.39 2.92 -4.23 -1.26 -1.03 115.64 113.60 1i2d s THR 84 Ca 0.14 -2.19 -0.07 0.00 -1.18 0.00 0.00 61.69 58.40 1i2d s THR 84 Cb -0.23 -2.25 0.07 0.00 1.34 0.00 0.00 72.50 71.43 1i2d s THR 84 CO -0.03 -0.44 0.19 -0.22 -0.54 0.00 0.00 174.62 173.57 1i2d s LEU 85 N -3.39 4.86 0.14 4.79 2.96 -1.26 -4.97 118.68 121.81 1i2d s LEU 85 Ca 0.26 -1.48 -0.12 0.00 -0.22 0.00 0.00 54.13 52.58 1i2d s LEU 85 Cb 0.01 -1.91 -0.07 0.00 0.50 0.00 0.00 46.19 44.72 1i2d s LEU 85 CO 0.10 -0.46 0.51 1.51 -1.32 0.00 0.00 176.35 176.68 1i2d s ASP 86 N 1.82 6.74 0.06 3.68 -4.77 -1.26 -0.28 116.67 122.66 1i2d s ASP 86 Ca 0.02 0.97 -0.07 0.00 -3.30 0.00 0.00 52.55 50.16 1i2d s ASP 86 Cb -0.22 -2.24 -0.01 0.00 -1.09 0.00 0.00 42.92 39.36 1i2d s ASP 86 CO 0.01 0.09 0.15 0.00 0.70 0.00 0.00 175.17 176.11 1i2d s ALA 87 N -1.51 -0.13 0.34 2.11 0.00 0.88 -4.75 121.76 118.69 1i2d s ALA 87 Ca 0.38 -0.60 -0.02 0.00 0.00 0.00 0.00 51.96 51.73 1i2d s ALA 87 Cb -0.14 0.37 -0.04 0.00 0.00 0.00 0.00 23.12 23.31 1i2d s ALA 87 CO 0.19 -0.42 0.57 -1.54 0.00 0.00 0.00 175.76 174.57 1i2d s SER 88 N -2.55 6.33 0.23 0.00 1.04 -1.26 -1.19 113.70 116.31 1i2d s SER 88 Ca 0.01 0.58 -0.06 0.00 0.48 0.00 0.00 55.95 56.95 1i2d s SER 88 Cb 0.03 -2.09 0.39 0.00 0.10 0.00 0.00 66.02 64.45 1i2d s SER 88 CO -0.08 -0.29 1.73 -0.61 0.98 0.00 0.00 173.24 174.97 1i2d h GLN 89 N 0.98 0.41 -0.73 4.02 5.75 -1.98 -1.69 115.11 121.87 1i2d h GLN 89 Ca -0.49 -0.02 0.07 0.00 -0.15 0.00 0.00 58.65 58.06 1i2d h GLN 89 Cb 1.21 -0.09 -0.05 0.00 1.07 0.00 0.00 27.48 29.62 1i2d h GLN 89 CO 0.63 0.27 0.48 0.93 -2.65 0.00 0.00 178.83 178.49 1i2d h GLU 90 N 0.42 0.71 0.07 1.69 3.07 -1.99 -0.12 114.58 118.44 1i2d h GLU 90 Ca 0.38 -0.04 -0.23 0.00 -0.50 0.00 0.00 59.36 58.97 1i2d h GLU 90 Cb 0.54 -0.16 0.02 0.00 -0.84 0.00 0.00 28.75 28.31 1i2d h GLU 90 CO -0.38 0.47 -0.92 0.28 -1.40 0.00 0.00 179.01 177.06 1i2d h VAL 91 N 0.73 1.38 -0.97 3.13 2.07 -1.75 0.12 116.25 120.97 1i2d h VAL 91 Ca 0.32 -2.33 0.09 0.00 0.82 0.00 0.00 66.70 65.60 1i2d h VAL 91 Cb 0.31 2.74 -0.07 0.00 -1.52 0.00 0.00 31.29 32.74 1i2d h VAL 91 CO -0.11 0.69 0.62 0.40 0.02 0.00 0.00 177.57 179.19 1i2d h ILE 92 N 0.03 1.02 0.12 4.57 2.04 -0.81 -0.72 117.51 123.77 1i2d h ILE 92 Ca -0.14 -0.36 -0.01 0.00 1.00 0.00 0.00 64.86 65.36 1i2d h ILE 92 Cb 1.64 -0.12 0.00 0.00 -0.74 0.00 0.00 36.82 37.60 1i2d h ILE 92 CO 0.18 0.19 -0.06 0.44 0.00 0.00 0.00 178.15 178.90 1i2d h ASP 93 N 1.05 -0.14 -1.22 1.72 3.32 -1.04 0.17 116.42 120.28 1i2d h ASP 93 Ca 0.44 0.00 0.36 0.00 0.02 0.00 0.00 57.03 57.85 1i2d h ASP 93 Cb 0.30 0.04 -0.10 0.00 0.22 0.00 0.00 39.33 39.79 1i2d h ASP 93 CO -0.19 0.25 0.81 -0.08 -1.72 0.00 0.00 179.24 178.30 1i2d h GLU 94 N -0.85 0.19 0.00 3.56 4.22 -0.91 0.61 114.58 121.39 1i2d h GLU 94 Ca -0.02 -0.01 0.00 0.00 0.08 0.00 0.00 59.36 59.41 1i2d h GLU 94 Cb 0.12 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.33 1i2d h GLU 94 CO 0.03 0.12 -0.99 1.63 -2.18 0.00 0.00 179.01 177.62 1i2d n LYS 95 N -4.56 0.19 -3.02 1.92 4.76 -0.28 -4.99 118.16 112.19 1i2d n LYS 95 Ca 0.31 -0.01 -0.13 0.00 -2.87 0.00 0.00 58.31 55.61 1i2d n LYS 95 Cb 1.21 -1.55 0.06 0.00 -1.84 0.00 0.00 35.03 32.92 1i2d n LYS 95 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 1i2d n LYS 96 N -1.79 -4.03 -3.09 1.97 5.02 0.21 -4.94 118.16 111.50 1i2d n LYS 96 Ca 0.03 0.66 -0.39 0.00 -2.02 0.00 0.00 58.31 56.58 1i2d n LYS 96 Cb 0.40 -5.00 -0.05 0.00 -0.02 0.00 0.00 35.03 30.36 1i2d n LYS 96 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1i2d s LEU 97 N -5.18 4.40 0.18 -0.35 1.43 0.52 -5.02 118.68 114.66 1i2d s LEU 97 Ca 0.11 1.25 -0.21 0.00 -1.03 0.00 0.00 54.13 54.25 1i2d s LEU 97 Cb -0.01 -3.06 0.05 0.00 0.03 0.00 0.00 46.19 43.20 1i2d s LEU 97 CO 0.56 0.02 0.59 0.00 0.23 0.00 0.00 176.35 177.75 1i2d s GLN 98 N 0.12 1.36 0.41 1.70 -2.07 -1.26 -4.87 119.66 115.06 1i2d s GLN 98 Ca 0.35 -0.65 -0.21 0.00 -1.82 0.00 0.00 55.36 53.03 1i2d s GLN 98 Cb -0.19 0.57 -0.15 0.00 -1.09 0.00 0.00 33.01 32.15 1i2d s GLN 98 CO 0.19 -0.60 0.18 0.00 -1.32 0.00 0.00 175.29 173.75 1i2d n ALA 99 N -0.37 -2.67 -0.06 2.60 0.00 -1.26 -0.85 120.51 117.89 1i2d n ALA 99 Ca -0.13 0.12 0.00 0.00 0.00 0.00 0.00 53.44 53.42 1i2d n ALA 99 Cb 0.63 -1.54 0.00 0.00 0.00 0.00 0.00 19.45 18.54 1i2d n ALA 99 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1i2d n GLY 100 N 2.22 2.22 3.76 0.00 0.00 0.14 -4.98 105.19 108.55 1i2d n GLY 100 Ca 0.11 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.78 1i2d n GLY 100 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1i2d s SER 101 N -3.50 5.26 -0.33 1.61 0.01 -0.03 -4.74 113.70 111.98 1i2d s SER 101 Ca 0.00 2.26 0.01 0.00 1.31 0.00 0.00 55.95 59.53 1i2d s SER 101 Cb 0.00 -2.58 0.09 0.00 0.21 0.00 0.00 66.02 63.73 1i2d s SER 101 CO 0.00 -1.54 0.04 -0.13 0.41 0.00 0.00 173.24 172.02 1i2d s ARG 102 N -3.48 1.90 0.15 12.44 0.52 -1.26 -1.43 118.95 127.78 1i2d s ARG 102 Ca 0.74 -1.66 0.01 0.00 -0.52 0.00 0.00 55.73 54.30 1i2d s ARG 102 Cb -0.27 -3.22 -0.04 0.00 0.52 0.00 0.00 34.95 31.95 1i2d s ARG 102 CO 0.33 -0.84 0.30 0.96 0.02 0.00 0.00 175.30 176.08 1i2d s ILE 103 N 1.05 5.30 -0.12 1.52 -4.36 -0.79 -4.34 121.20 119.45 1i2d s ILE 103 Ca 0.04 -0.55 -0.06 0.00 -0.26 0.00 0.00 60.65 59.81 1i2d s ILE 103 Cb -0.20 -3.72 -0.04 0.00 1.25 0.00 0.00 42.46 39.75 1i2d s ILE 103 CO -0.05 -0.08 0.11 -0.89 0.24 0.00 0.00 174.94 174.26 1i2d s THR 104 N -1.74 5.24 -0.24 8.37 2.01 -0.91 -1.34 115.64 127.02 1i2d s THR 104 Ca 0.36 0.11 -0.09 0.00 0.31 0.00 0.00 61.69 62.38 1i2d s THR 104 Cb -0.11 -3.28 -0.04 0.00 0.01 0.00 0.00 72.50 69.07 1i2d s THR 104 CO 0.28 0.59 0.11 -0.76 -0.69 0.00 0.00 174.62 174.16 1i2d s LEU 105 N -0.81 3.79 0.03 4.42 1.43 0.12 0.19 118.68 127.85 1i2d s LEU 105 Ca 0.13 -0.03 0.05 0.00 -1.03 0.00 0.00 54.13 53.26 1i2d s LEU 105 Cb -0.12 -2.01 -0.03 0.00 0.03 0.00 0.00 46.19 44.06 1i2d s LEU 105 CO 0.03 0.03 -0.13 -0.60 0.23 0.00 0.00 176.35 175.92 1i2d s ARG 106 N 1.23 2.29 -0.53 1.70 3.52 -0.49 -0.77 118.95 125.90 1i2d s ARG 106 Ca 0.06 -0.87 -0.27 0.00 -0.13 0.00 0.00 55.73 54.52 1i2d s ARG 106 Cb -0.14 -2.33 0.03 0.00 -1.56 0.00 0.00 34.95 30.94 1i2d s ARG 106 CO 0.05 0.57 1.10 0.34 -0.81 0.00 0.00 175.30 176.54 1i2d s ASP 107 N -1.47 6.48 0.57 -2.12 -1.08 0.17 -1.53 116.67 117.69 1i2d s ASP 107 Ca 0.16 0.12 0.38 0.00 -0.52 0.00 0.00 52.55 52.69 1i2d s ASP 107 Cb -0.11 -2.52 2.04 0.00 -1.46 0.00 0.00 42.92 40.87 1i2d s ASP 107 CO 0.07 -1.32 2.16 2.19 0.52 0.00 0.00 175.17 178.79 1i2d h PHE 108 N 9.36 0.00 0.12 -5.34 -5.15 -1.89 0.63 116.94 114.67 1i2d h PHE 108 Ca -0.25 0.00 -0.01 0.00 -0.20 0.00 0.00 57.97 57.52 1i2d h PHE 108 Cb 1.06 0.00 0.00 0.00 0.22 0.00 0.00 35.95 37.23 1i2d h PHE 108 CO 0.98 0.00 -0.06 0.00 -2.00 0.00 0.00 178.31 177.23 1i2d h ARG 109 N 0.00 -0.16 -0.02 6.09 3.08 -1.92 -3.38 114.38 118.07 1i2d h ARG 109 Ca 0.00 0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.06 1i2d h ARG 109 Cb 0.04 0.04 0.00 0.00 0.08 0.00 0.00 29.97 30.12 1i2d h ARG 109 CO 0.00 0.31 0.00 -0.40 -1.07 0.00 0.00 179.97 178.81 1i2d n ASP 110 N -4.87 2.32 0.00 7.04 5.68 -1.11 -4.99 116.55 120.63 1i2d n ASP 110 Ca -0.07 -2.77 0.00 0.00 -0.50 0.00 0.00 54.79 51.45 1i2d n ASP 110 Cb 0.27 -0.31 0.00 0.00 -1.14 0.00 0.00 41.12 39.93 1i2d n ASP 110 CO 0.00 0.00 0.00 0.47 -1.33 0.00 0.00 177.20 176.34 1i2d n ASP 111 N -1.11 -4.02 -4.77 -1.12 8.00 0.22 -4.97 116.55 108.77 1i2d n ASP 111 Ca 0.12 0.00 -0.34 0.00 0.71 0.00 0.00 54.79 55.27 1i2d n ASP 111 Cb 0.54 -2.95 0.02 0.00 -0.02 0.00 0.00 41.12 38.71 1i2d n ASP 111 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 1i2d s ARG 112 N -1.55 3.15 -0.38 -1.24 0.52 -1.24 -4.63 118.95 113.59 1i2d s ARG 112 Ca 0.00 1.53 -0.22 0.00 -0.52 0.00 0.00 55.73 56.52 1i2d s ARG 112 Cb 0.00 -1.99 0.01 0.00 0.52 0.00 0.00 34.95 33.49 1i2d s ARG 112 CO 0.00 -0.99 0.71 -0.80 0.02 0.00 0.00 175.30 174.24 1i2d s ASN 113 N -2.08 6.47 -0.20 0.23 0.01 -1.26 -0.66 114.94 117.45 1i2d s ASN 113 Ca 0.71 0.16 -0.17 0.00 -0.71 0.00 0.00 52.86 52.85 1i2d s ASN 113 Cb -0.23 -2.36 -0.13 0.00 0.41 0.00 0.00 41.25 38.95 1i2d s ASN 113 CO 0.32 -0.70 -0.02 0.18 -1.51 0.00 0.00 177.10 175.38 1i2d n LEU 114 N 6.28 1.86 -4.08 0.60 4.77 0.05 -3.81 117.00 122.67 1i2d n LEU 114 Ca 0.01 0.46 -0.10 0.00 -0.03 0.00 0.00 56.01 56.36 1i2d n LEU 114 Cb 0.48 -0.90 -0.09 0.00 -2.33 0.00 0.00 43.42 40.58 1i2d n LEU 114 CO 0.52 0.08 -0.21 0.00 -1.33 0.00 0.00 177.39 176.45 1i2d s ALA 115 N -2.52 0.57 -0.21 -1.18 0.00 -1.20 0.51 121.76 117.72 1i2d s ALA 115 Ca -0.26 -1.27 0.01 0.00 0.00 0.00 0.00 51.96 50.44 1i2d s ALA 115 Cb 0.06 0.84 0.03 0.00 0.00 0.00 0.00 23.12 24.05 1i2d s ALA 115 CO 0.46 -0.53 -0.15 0.42 0.00 0.00 0.00 175.76 175.96 1i2d s ILE 116 N -4.02 2.26 -0.04 0.00 1.01 -0.40 0.15 121.20 120.17 1i2d s ILE 116 Ca 0.21 -1.11 -0.03 0.00 0.00 0.00 0.00 60.65 59.72 1i2d s ILE 116 Cb 0.06 -2.08 -0.04 0.00 0.01 0.00 0.00 42.46 40.41 1i2d s ILE 116 CO 0.01 0.34 0.14 -0.22 0.00 0.00 0.00 174.94 175.21 1i2d s LEU 117 N 1.25 4.25 -0.36 2.97 0.20 -0.45 -1.51 118.68 125.03 1i2d s LEU 117 Ca 0.01 0.33 -0.02 0.00 0.69 0.00 0.00 54.13 55.14 1i2d s LEU 117 Cb -0.15 -2.37 0.09 0.00 -0.43 0.00 0.00 46.19 43.32 1i2d s LEU 117 CO -0.09 0.31 0.12 -0.89 -0.29 0.00 0.00 176.35 175.51 1i2d s THR 118 N -1.21 3.14 0.02 3.68 2.01 -0.70 -1.89 115.64 120.69 1i2d s THR 118 Ca 0.23 -1.81 -0.34 0.00 0.31 0.00 0.00 61.69 60.07 1i2d s THR 118 Cb -0.12 -3.04 -0.13 0.00 0.01 0.00 0.00 72.50 69.22 1i2d s THR 118 CO 0.13 -0.47 1.72 -0.38 -0.69 0.00 0.00 174.62 174.93 1i2d n ILE 119 N 4.59 0.29 -0.05 1.82 5.41 -0.51 -3.51 119.36 127.40 1i2d n ILE 119 Ca -0.06 -0.05 -0.03 0.00 1.00 0.00 0.00 62.75 63.61 1i2d n ILE 119 Cb 0.42 -1.64 -0.01 0.00 -0.71 0.00 0.00 39.64 37.70 1i2d n ILE 119 CO 0.00 0.00 0.00 0.47 0.00 0.00 0.00 176.55 177.02 1i2d n ASP 120 N 4.99 1.16 -2.84 4.38 10.43 -0.24 -0.69 116.55 133.74 1i2d n ASP 120 Ca 0.20 0.50 -0.15 0.00 2.57 0.00 0.00 54.79 57.91 1i2d n ASP 120 Cb 0.28 -0.74 -0.05 0.00 1.84 0.00 0.00 41.12 42.45 1i2d n ASP 120 CO 0.00 0.00 0.00 -0.90 -1.07 0.00 0.00 177.20 175.23 1i2d n ASP 121 N -3.77 0.64 -3.12 -2.24 5.68 -1.24 -4.52 116.55 107.98 1i2d n ASP 121 Ca -0.05 -2.40 -0.12 0.00 -0.50 0.00 0.00 54.79 51.72 1i2d n ASP 121 Cb 0.17 0.79 -0.04 0.00 -1.14 0.00 0.00 41.12 40.90 1i2d n ASP 121 CO 0.00 0.00 0.00 -0.63 -1.33 0.00 0.00 177.20 175.24 1i2d s ILE 122 N -2.64 -0.52 0.25 2.12 1.01 -1.26 -2.95 121.20 117.20 1i2d s ILE 122 Ca 0.17 -1.24 0.06 0.00 0.00 0.00 0.00 60.65 59.64 1i2d s ILE 122 Cb 0.01 -0.46 -0.03 0.00 0.01 0.00 0.00 42.46 41.99 1i2d s ILE 122 CO 0.12 -0.44 0.29 -0.72 0.00 0.00 0.00 174.94 174.19 1i2d s TYR 123 N 0.96 3.29 -0.39 3.97 -0.85 -0.76 -4.90 117.35 118.67 1i2d s TYR 123 Ca 0.25 -0.06 -0.08 0.00 -0.52 0.00 0.00 57.07 56.65 1i2d s TYR 123 Cb -0.04 -1.51 0.06 0.00 0.38 0.00 0.00 41.96 40.86 1i2d s TYR 123 CO -0.08 0.47 0.21 0.50 -1.52 0.00 0.00 175.55 175.13 1i2d s ARG 124 N -3.92 2.61 0.48 -3.49 3.52 -1.26 -0.45 118.95 116.43 1i2d s ARG 124 Ca 0.34 -1.36 -0.19 0.00 -0.13 0.00 0.00 55.73 54.38 1i2d s ARG 124 Cb -0.08 -3.69 -0.09 0.00 -1.56 0.00 0.00 34.95 29.52 1i2d s ARG 124 CO 0.27 -0.86 0.99 -1.25 -0.81 0.00 0.00 175.30 173.65 1i2d s PRO 125 N 1.42 3.97 -1.10 5.12 0.04 -1.26 -4.99 135.00 138.21 1i2d s PRO 125 Ca 0.02 1.17 -0.21 0.00 0.04 0.00 0.00 61.00 62.02 1i2d s PRO 125 Cb -0.22 -2.13 0.07 0.00 0.04 0.00 0.00 34.50 32.26 1i2d s PRO 125 CO 0.03 -0.26 1.49 0.34 0.04 0.00 0.00 177.00 178.64 1i2d s ASP 126 N -2.34 6.64 0.49 6.66 2.15 -1.26 -4.85 116.67 124.16 1i2d s ASP 126 Ca 0.63 -1.89 0.21 0.00 0.43 0.00 0.00 52.55 51.93 1i2d s ASP 126 Cb -0.12 -2.54 1.12 0.00 -0.30 0.00 0.00 42.92 41.07 1i2d s ASP 126 CO 0.21 -1.32 1.58 0.11 -0.17 0.00 0.00 175.17 175.58 1i2d h LYS 127 N 8.91 0.00 0.08 4.34 1.57 -1.97 0.52 116.57 130.03 1i2d h LYS 127 Ca 0.27 0.00 -0.26 0.00 -1.87 0.00 0.00 60.65 58.79 1i2d h LYS 127 Cb 0.96 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.26 1i2d h LYS 127 CO 1.39 0.00 -1.24 1.15 -0.57 0.00 0.00 179.45 180.18 1i2d h THR 128 N 0.00 1.48 -0.02 -0.16 2.02 -1.99 -2.33 112.91 111.92 1i2d h THR 128 Ca 0.00 -3.12 -0.20 0.00 0.77 0.00 0.00 66.41 63.86 1i2d h THR 128 Cb 0.66 2.86 -0.01 0.00 -1.74 0.00 0.00 68.15 69.92 1i2d h THR 128 CO 0.00 0.89 -0.85 0.11 0.37 0.00 0.00 175.52 176.04 1i2d h LYS 129 N 0.05 0.30 0.61 6.66 6.56 -1.32 -1.87 116.57 127.56 1i2d h LYS 129 Ca -0.12 -0.30 -0.03 0.00 -1.06 0.00 0.00 60.65 59.14 1i2d h LYS 129 Cb 1.92 0.08 0.01 0.00 -0.57 0.00 0.00 32.23 33.66 1i2d h LYS 129 CO 0.17 0.99 -0.29 1.49 -2.06 0.00 0.00 179.45 179.74 1i2d h GLU 130 N 0.18 -0.79 -0.87 3.15 4.81 -1.55 0.61 114.58 120.13 1i2d h GLU 130 Ca -0.05 0.05 0.17 0.00 -0.13 0.00 0.00 59.36 59.41 1i2d h GLU 130 Cb 1.46 0.18 -0.16 0.00 0.63 0.00 0.00 28.75 30.86 1i2d h GLU 130 CO 0.14 -0.48 -0.23 0.00 -0.73 0.00 0.00 179.01 177.71 1i2d h ALA 131 N -0.98 0.54 0.12 2.92 0.00 -1.45 -0.01 119.26 120.41 1i2d h ALA 131 Ca -0.08 0.33 -0.20 0.00 0.00 0.00 0.00 54.91 54.96 1i2d h ALA 131 Cb 0.67 0.68 0.02 0.00 0.00 0.00 0.00 17.79 19.16 1i2d h ALA 131 CO 0.14 -0.41 -0.85 -0.22 0.00 0.00 0.00 179.25 177.91 1i2d h LYS 132 N -0.01 0.36 -0.00 0.00 3.11 -1.01 -2.96 116.57 116.06 1i2d h LYS 132 Ca 0.41 -0.55 -0.20 0.00 -2.81 0.00 0.00 60.65 57.50 1i2d h LYS 132 Cb 0.63 0.19 -0.01 0.00 -1.00 0.00 0.00 32.23 32.05 1i2d h LYS 132 CO -0.89 1.24 -0.88 -0.07 -2.81 0.00 0.00 179.45 176.03 1i2d h LEU 133 N -0.24 0.34 0.00 5.20 3.38 0.55 -3.29 115.31 121.26 1i2d h LEU 133 Ca -0.14 -0.27 -0.20 0.00 0.09 0.00 0.00 57.88 57.36 1i2d h LEU 133 Cb 1.63 -0.10 -0.03 0.00 0.09 0.00 0.00 40.66 42.25 1i2d h LEU 133 CO 0.16 1.06 -1.36 0.52 0.09 0.00 0.00 178.44 178.92 1i2d n VAL 134 N -3.69 1.50 -1.96 1.22 0.31 -0.04 -4.64 118.33 111.02 1i2d n VAL 134 Ca -0.04 -0.03 -0.35 0.00 -0.01 0.00 0.00 64.34 63.91 1i2d n VAL 134 Cb 0.81 -2.13 0.04 0.00 -0.91 0.00 0.00 33.84 31.64 1i2d n VAL 134 CO 0.00 0.00 0.00 0.49 -1.32 0.00 0.00 176.83 176.00 1i2d n PHE 135 N -4.44 3.11 -4.91 3.52 3.01 -1.12 -4.83 117.46 111.81 1i2d n PHE 135 Ca -0.29 -2.63 0.00 0.00 1.01 0.00 0.00 57.45 55.54 1i2d n PHE 135 Cb 0.61 -0.90 0.00 0.00 -0.01 0.00 0.00 39.48 39.18 1i2d n PHE 135 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1i2d n GLY 136 N -0.60 1.64 0.00 1.37 0.00 -1.23 -4.41 105.19 101.96 1i2d n GLY 136 Ca 0.51 -0.55 0.00 0.00 0.00 0.00 0.00 46.02 45.98 1i2d n GLY 136 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1i2d n GLY 137 N 0.00 0.56 3.68 -0.02 0.00 -1.25 -2.47 105.19 105.68 1i2d n GLY 137 Ca 0.00 0.00 -0.50 0.00 0.00 0.00 0.00 46.02 45.52 1i2d n GLY 137 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1i2d n ASP 138 N -0.34 3.11 0.12 1.61 4.64 -1.26 -4.79 116.55 119.65 1i2d n ASP 138 Ca 0.00 1.02 0.10 0.00 -1.38 0.00 0.00 54.79 54.53 1i2d n ASP 138 Cb 0.00 -1.33 0.48 0.00 -1.04 0.00 0.00 41.12 39.23 1i2d n ASP 138 CO 0.00 0.00 0.00 -2.65 -0.82 0.00 0.00 177.20 173.73 1i2d n PRO 139 N 5.69 0.14 0.10 -0.67 -0.02 -1.26 -1.49 135.00 137.50 1i2d n PRO 139 Ca 0.22 0.51 0.12 0.00 -2.02 0.00 0.00 63.50 62.33 1i2d n PRO 139 Cb 0.26 -1.85 0.08 0.00 -0.02 0.00 0.00 33.50 31.97 1i2d n PRO 139 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 1i2d h GLU 140 N 0.00 0.00 -6.61 -0.52 4.81 -1.98 -3.38 114.58 106.89 1i2d h GLU 140 Ca 0.00 0.00 -0.56 0.00 -0.13 0.00 0.00 59.36 58.67 1i2d h GLU 140 Cb 0.17 0.00 0.07 0.00 0.63 0.00 0.00 28.75 29.62 1i2d h GLU 140 CO 0.00 0.00 0.79 1.58 -0.73 0.00 0.00 179.01 180.65 1i2d n HIS 141 N -2.53 2.43 -0.20 0.92 -0.00 -0.55 -4.82 115.22 110.47 1i2d n HIS 141 Ca 0.02 0.28 0.01 0.00 0.46 0.00 0.00 57.72 58.49 1i2d n HIS 141 Cb 0.51 -2.55 0.11 0.00 -0.12 0.00 0.00 29.99 27.94 1i2d n HIS 141 CO 0.00 0.00 0.00 -1.35 0.46 0.00 0.00 176.34 175.45 1i2d h PRO 142 N 5.28 0.26 -0.67 1.57 0.11 -1.89 -0.08 132.00 136.57 1i2d h PRO 142 Ca -0.45 -0.02 -0.02 0.00 0.11 0.00 0.00 66.00 65.63 1i2d h PRO 142 Cb 1.25 -0.06 -0.03 0.00 0.11 0.00 0.00 31.00 32.27 1i2d h PRO 142 CO 0.84 0.17 0.35 0.00 -0.21 0.00 0.00 178.00 179.14 1i2d h ALA 143 N 1.48 0.86 -0.08 -0.75 0.00 -1.91 -1.05 119.26 117.81 1i2d h ALA 143 Ca 0.32 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 55.09 1i2d h ALA 143 Cb 0.47 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 17.99 1i2d h ALA 143 CO -0.40 0.40 -0.00 0.82 0.00 0.00 0.00 179.25 180.06 1i2d h ILE 144 N 0.92 1.26 -0.89 0.00 2.04 -1.75 0.13 117.51 119.22 1i2d h ILE 144 Ca 0.23 -0.82 0.13 0.00 1.00 0.00 0.00 64.86 65.41 1i2d h ILE 144 Cb 0.08 1.64 -0.07 0.00 -0.74 0.00 0.00 36.82 37.73 1i2d h ILE 144 CO -0.03 0.23 0.57 0.58 0.00 0.00 0.00 178.15 179.50 1i2d h VAL 145 N -0.14 0.87 -0.16 1.67 2.07 -0.81 -0.50 116.25 119.24 1i2d h VAL 145 Ca 0.02 -0.26 -0.08 0.00 0.82 0.00 0.00 66.70 67.21 1i2d h VAL 145 Cb 0.36 0.06 -0.00 0.00 -1.52 0.00 0.00 31.29 30.18 1i2d h VAL 145 CO 0.01 0.14 -0.21 0.22 0.02 0.00 0.00 177.57 177.74 1i2d h TYR 146 N 0.75 0.53 -0.87 1.57 3.20 -0.88 -1.37 116.97 119.89 1i2d h TYR 146 Ca 0.44 -0.17 0.19 0.00 3.14 0.00 0.00 58.73 62.33 1i2d h TYR 146 Cb 0.63 -0.11 -0.11 0.00 1.54 0.00 0.00 36.73 38.68 1i2d h TYR 146 CO -0.00 0.84 0.40 1.25 -1.64 0.00 0.00 178.16 179.01 1i2d h LEU 147 N 0.07 0.38 0.11 2.82 5.85 0.82 0.22 115.31 125.58 1i2d h LEU 147 Ca 0.02 0.13 -0.33 0.00 0.84 0.00 0.00 57.88 58.54 1i2d h LEU 147 Cb 0.77 0.09 -0.02 0.00 0.37 0.00 0.00 40.66 41.88 1i2d h LEU 147 CO 0.05 0.07 -1.79 0.78 -0.34 0.00 0.00 178.44 177.22 1i2d h ASN 148 N 0.47 0.36 0.44 1.25 2.35 -1.28 -3.31 115.58 115.86 1i2d h ASN 148 Ca 0.52 -0.67 -0.21 0.00 -0.55 0.00 0.00 56.30 55.39 1i2d h ASN 148 Cb 0.91 -0.12 -0.04 0.00 0.05 0.00 0.00 38.32 39.12 1i2d h ASN 148 CO -0.47 1.58 -1.73 0.59 -1.65 0.00 0.00 177.43 175.75 1i2d n ASN 149 N -3.41 0.58 -0.03 5.81 4.13 -0.52 -4.69 115.26 117.13 1i2d n ASN 149 Ca -0.24 0.26 -0.04 0.00 1.68 0.00 0.00 54.58 56.24 1i2d n ASN 149 Cb 1.05 0.51 -0.03 0.00 -1.54 0.00 0.00 39.78 39.77 1i2d n ASN 149 CO 0.00 0.00 0.00 0.41 0.28 0.00 0.00 177.26 177.95 1i2d n THR 150 N -2.81 0.38 -1.96 3.41 -1.04 0.66 -4.99 114.28 107.93 1i2d n THR 150 Ca -0.15 -0.16 -0.42 0.00 -2.04 0.00 0.00 64.05 61.28 1i2d n THR 150 Cb 0.91 -0.76 -0.03 0.00 -1.82 0.00 0.00 70.33 68.63 1i2d n THR 150 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 1i2d s VAL 151 N -2.13 2.64 0.00 12.58 1.01 -0.47 -5.01 120.40 129.02 1i2d s VAL 151 Ca -0.08 0.48 0.00 0.00 0.00 0.00 0.00 61.98 62.38 1i2d s VAL 151 Cb 0.02 -3.31 0.00 0.00 0.00 0.00 0.00 36.38 33.10 1i2d s VAL 151 CO 0.17 0.05 0.00 0.29 0.00 0.00 0.00 175.10 175.61 1i2d n LYS 152 N 3.51 0.22 0.04 2.72 4.76 -1.26 -4.74 118.16 123.41 1i2d n LYS 152 Ca 0.12 0.00 -0.16 0.00 -2.87 0.00 0.00 58.31 55.40 1i2d n LYS 152 Cb 0.39 0.00 -0.14 0.00 -1.84 0.00 0.00 35.03 33.44 1i2d n LYS 152 CO 0.00 0.00 0.00 1.49 -1.37 0.00 0.00 177.40 177.52 1i2d h GLU 153 N 0.00 0.20 -6.63 1.97 4.81 -1.94 -3.46 114.58 109.54 1i2d h GLU 153 Ca 0.00 -0.35 -0.67 0.00 -0.13 0.00 0.00 59.36 58.21 1i2d h GLU 153 Cb 0.00 0.13 -0.18 0.00 0.63 0.00 0.00 28.75 29.33 1i2d h GLU 153 CO 0.00 1.02 -0.78 -0.06 -0.73 0.00 0.00 179.01 178.46 1i2d s PHE 154 N -2.60 2.62 -0.16 0.92 0.40 -0.33 -4.12 117.98 114.70 1i2d s PHE 154 Ca -0.11 -0.22 -0.06 0.00 -0.60 0.00 0.00 56.93 55.95 1i2d s PHE 154 Cb 0.07 -1.40 -0.04 0.00 0.51 0.00 0.00 43.02 42.16 1i2d s PHE 154 CO 0.83 0.38 0.03 0.71 0.70 0.00 0.00 175.22 177.87 1i2d s TYR 155 N -1.13 3.19 -0.50 0.36 4.12 0.40 -0.09 117.35 123.70 1i2d s TYR 155 Ca 0.19 -0.00 -0.07 0.00 0.02 0.00 0.00 57.07 57.20 1i2d s TYR 155 Cb -0.11 -2.02 0.13 0.00 -1.52 0.00 0.00 41.96 38.45 1i2d s TYR 155 CO 0.11 0.15 0.36 0.42 0.02 0.00 0.00 175.55 176.60 1i2d s ILE 156 N 0.21 4.03 0.60 2.71 1.01 0.61 -1.82 121.20 128.55 1i2d s ILE 156 Ca 0.02 -2.06 -0.14 0.00 0.00 0.00 0.00 60.65 58.47 1i2d s ILE 156 Cb -0.13 -3.66 -0.04 0.00 0.01 0.00 0.00 42.46 38.65 1i2d s ILE 156 CO 0.01 -0.79 1.04 -0.83 0.00 0.00 0.00 174.94 174.37 1i2d s GLY 157 N 2.17 1.98 0.00 6.18 0.00 -1.15 -4.36 107.32 112.14 1i2d s GLY 157 Ca 0.09 0.24 0.00 0.00 0.00 0.00 0.00 44.72 45.04 1i2d s GLY 157 CO -0.02 0.54 0.00 0.61 0.00 0.00 0.00 173.10 174.22 1i2d n GLY 158 N -1.49 3.68 3.80 0.20 0.00 -0.00 -1.08 105.19 110.30 1i2d n GLY 158 Ca 0.08 -0.55 -0.32 0.00 0.00 0.00 0.00 46.02 45.22 1i2d n GLY 158 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1i2d s LYS 159 N -2.02 3.12 0.09 1.61 1.02 -1.23 -1.98 119.74 120.36 1i2d s LYS 159 Ca 0.00 1.16 0.08 0.00 0.02 0.00 0.00 55.97 57.23 1i2d s LYS 159 Cb 0.00 -2.01 -0.04 0.00 -0.52 0.00 0.00 37.83 35.27 1i2d s LYS 159 CO 0.00 -0.97 -0.18 0.42 -0.92 0.00 0.00 175.35 173.70 1i2d s ILE 160 N -2.61 2.80 -0.03 2.17 -1.09 -0.70 -1.73 121.20 120.02 1i2d s ILE 160 Ca 0.62 -1.42 0.05 0.00 -2.23 0.00 0.00 60.65 57.68 1i2d s ILE 160 Cb -0.16 -2.25 -0.01 0.00 -1.58 0.00 0.00 42.46 38.46 1i2d s ILE 160 CO 0.43 0.17 -0.19 -1.61 -1.23 0.00 0.00 174.94 172.51 1i2d s GLU 161 N -1.92 1.67 -0.16 2.79 2.02 -0.57 -4.90 118.70 117.64 1i2d s GLU 161 Ca 0.17 -0.68 -0.17 0.00 0.02 0.00 0.00 54.97 54.31 1i2d s GLU 161 Cb -0.11 -1.55 -0.04 0.00 0.10 0.00 0.00 34.13 32.53 1i2d s GLU 161 CO 0.08 0.36 0.43 0.00 0.02 0.00 0.00 175.26 176.16 1i2d s ALA 162 N -0.30 3.52 -0.27 5.21 0.00 -1.26 -1.27 121.76 127.39 1i2d s ALA 162 Ca 0.04 -0.34 -0.11 0.00 0.00 0.00 0.00 51.96 51.55 1i2d s ALA 162 Cb -0.09 -2.61 -0.13 0.00 0.00 0.00 0.00 23.12 20.29 1i2d s ALA 162 CO 0.00 -0.10 -0.33 0.28 0.00 0.00 0.00 175.76 175.61 1i2d n VAL 163 N 3.91 1.51 -3.77 0.00 0.31 0.18 -4.82 118.33 115.65 1i2d n VAL 163 Ca -0.08 -0.42 -0.13 0.00 -0.01 0.00 0.00 64.34 63.71 1i2d n VAL 163 Cb 0.51 -1.79 -0.08 0.00 -0.91 0.00 0.00 33.84 31.57 1i2d n VAL 163 CO 0.00 0.00 0.00 0.20 -1.32 0.00 0.00 176.83 175.71 1i2d s ASN 164 N -7.29 -0.15 0.09 4.52 0.01 0.85 -4.89 114.94 108.08 1i2d s ASN 164 Ca -0.38 -0.03 -0.22 0.00 -0.71 0.00 0.00 52.86 51.52 1i2d s ASN 164 Cb 0.14 0.31 -0.07 0.00 0.41 0.00 0.00 41.25 42.04 1i2d s ASN 164 CO 0.51 -0.49 0.65 -1.59 -1.51 0.00 0.00 177.10 174.66 1i2d s LYS 165 N -1.72 4.34 0.57 -0.60 -2.85 -1.26 -4.67 119.74 113.56 1i2d s LYS 165 Ca -0.11 0.89 -0.18 0.00 -1.00 0.00 0.00 55.97 55.57 1i2d s LYS 165 Cb -0.04 -3.26 -0.09 0.00 -2.06 0.00 0.00 37.83 32.38 1i2d s LYS 165 CO 0.02 0.57 0.46 1.28 0.10 0.00 0.00 175.35 177.78 1i2d n LEU 166 N 1.85 0.38 -4.87 2.77 4.77 -1.26 -4.96 117.00 115.67 1i2d n LEU 166 Ca -0.08 0.72 -0.37 0.00 -0.03 0.00 0.00 56.01 56.25 1i2d n LEU 166 Cb 0.50 -1.15 -0.06 0.00 -2.33 0.00 0.00 43.42 40.38 1i2d n LEU 166 CO 0.43 -3.22 -0.16 0.20 -1.33 0.00 0.00 177.39 173.32 1i2d s ASN 167 N -1.17 6.41 -0.01 -1.43 0.02 -1.26 -5.09 114.94 112.40 1i2d s ASN 167 Ca 0.68 0.49 0.02 0.00 -1.02 0.00 0.00 52.86 53.03 1i2d s ASN 167 Cb -0.44 -2.08 -0.00 0.00 0.02 0.00 0.00 41.25 38.74 1i2d s ASN 167 CO 0.55 0.40 -0.08 -1.00 0.02 0.00 0.00 177.10 177.00 1i2d s HIS 168 N -1.01 0.73 -0.95 2.20 3.76 -1.26 -5.04 115.29 113.73 1i2d s HIS 168 Ca 0.15 -0.15 0.15 0.00 -0.15 0.00 0.00 55.06 55.06 1i2d s HIS 168 Cb -0.12 -0.50 -0.10 0.00 1.11 0.00 0.00 32.58 32.97 1i2d s HIS 168 CO 0.04 -0.04 0.69 0.66 -0.85 0.00 0.00 174.74 175.25 1i2d n TYR 169 N 3.05 0.00 -3.68 1.40 4.02 -1.26 -4.78 117.16 115.91 1i2d n TYR 169 Ca -0.15 0.00 -0.36 0.00 -0.01 0.00 0.00 57.90 57.38 1i2d n TYR 169 Cb 0.56 0.00 -0.09 0.00 -0.02 0.00 0.00 39.34 39.79 1i2d n TYR 169 CO 0.00 0.00 0.00 0.16 -1.01 0.00 0.00 176.86 176.01 1i2d s ASP 170 N -2.19 6.14 -1.37 7.72 -4.77 -1.26 -4.62 116.67 116.33 1i2d s ASP 170 Ca 0.08 0.15 -0.01 0.00 -3.30 0.00 0.00 52.55 49.47 1i2d s ASP 170 Cb 0.12 -2.10 0.01 0.00 -1.09 0.00 0.00 42.92 39.85 1i2d s ASP 170 CO 0.52 0.10 0.61 -1.22 0.70 0.00 0.00 175.17 175.88 1i2d n TYR 171 N 4.05 -1.83 -0.13 2.11 4.02 -1.26 -4.88 117.16 119.24 1i2d n TYR 171 Ca -0.15 0.81 0.01 0.00 -0.01 0.00 0.00 57.90 58.56 1i2d n TYR 171 Cb 0.52 -4.09 0.30 0.00 -0.02 0.00 0.00 39.34 36.05 1i2d n TYR 171 CO 0.00 0.00 0.00 -0.39 -1.01 0.00 0.00 176.86 175.46 1i2d h VAL 172 N -1.86 1.17 0.00 -0.72 -1.51 -1.86 -1.63 116.25 109.84 1i2d h VAL 172 Ca -0.62 -0.35 0.00 0.00 -1.23 0.00 0.00 66.70 64.50 1i2d h VAL 172 Cb 1.37 0.29 0.00 0.00 -2.13 0.00 0.00 31.29 30.82 1i2d h VAL 172 CO 0.60 0.17 0.00 0.00 -1.23 0.00 0.00 177.57 177.11 1i2d h ALA 173 N 1.58 1.00 -0.01 5.19 0.00 -1.99 -2.82 119.26 122.21 1i2d h ALA 173 Ca 0.22 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.13 1i2d h ALA 173 Cb -0.06 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.73 1i2d h ALA 173 CO -0.04 0.00 -0.43 1.28 0.00 0.00 0.00 179.25 180.06 1i2d n LEU 174 N -2.73 1.79 -4.82 0.00 4.77 -0.65 -4.91 117.00 110.46 1i2d n LEU 174 Ca 0.01 -0.64 -0.38 0.00 -0.03 0.00 0.00 56.01 54.98 1i2d n LEU 174 Cb 0.27 -0.03 -0.06 0.00 -2.33 0.00 0.00 43.42 41.28 1i2d n LEU 174 CO 0.24 0.33 0.23 -0.13 -1.33 0.00 0.00 177.39 176.74 1i2d s ARG 175 N -2.48 4.10 -0.00 3.23 0.52 -1.01 -0.38 118.95 122.92 1i2d s ARG 175 Ca 0.20 0.63 -0.01 0.00 -0.52 0.00 0.00 55.73 56.02 1i2d s ARG 175 Cb 0.18 -3.16 -0.00 0.00 0.52 0.00 0.00 34.95 32.49 1i2d s ARG 175 CO 0.56 0.61 0.02 0.71 0.02 0.00 0.00 175.30 177.22 1i2d s TYR 176 N -1.19 0.06 0.22 -0.53 1.51 -1.25 -4.92 117.35 111.24 1i2d s TYR 176 Ca 0.30 -0.11 -0.02 0.00 -1.01 0.00 0.00 57.07 56.23 1i2d s TYR 176 Cb -0.18 -0.05 -0.05 0.00 -0.11 0.00 0.00 41.96 41.57 1i2d s TYR 176 CO 0.18 -0.09 0.42 0.95 -1.11 0.00 0.00 175.55 175.91 1i2d s THR 177 N -0.51 5.16 0.35 -0.71 -4.23 -1.26 -4.85 115.64 109.59 1i2d s THR 177 Ca -0.06 -0.25 0.14 0.00 -1.18 0.00 0.00 61.69 60.34 1i2d s THR 177 Cb -0.04 -3.73 0.35 0.00 1.34 0.00 0.00 72.50 70.43 1i2d s THR 177 CO -0.00 -0.19 1.72 -0.65 -0.54 0.00 0.00 174.62 174.96 1i2d h PRO 178 N 1.99 0.43 -0.38 3.99 0.11 -1.87 0.37 132.00 136.64 1i2d h PRO 178 Ca -0.48 -0.03 -0.04 0.00 0.11 0.00 0.00 66.00 65.56 1i2d h PRO 178 Cb 1.19 -0.10 -0.02 0.00 0.11 0.00 0.00 31.00 32.19 1i2d h PRO 178 CO 0.68 0.29 0.07 0.00 -0.21 0.00 0.00 178.00 178.83 1i2d h ALA 179 N 1.72 0.50 0.01 -0.75 0.00 -1.89 -2.27 119.26 116.58 1i2d h ALA 179 Ca 0.66 -0.20 -0.00 0.00 0.00 0.00 0.00 54.91 55.37 1i2d h ALA 179 Cb 1.49 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 19.13 1i2d h ALA 179 CO -0.46 0.20 -0.00 0.93 0.00 0.00 0.00 179.25 179.92 1i2d h GLU 180 N 0.47 -0.01 -0.30 0.00 5.08 -0.77 -1.67 114.58 117.37 1i2d h GLU 180 Ca 0.12 0.00 0.06 0.00 -1.00 0.00 0.00 59.36 58.54 1i2d h GLU 180 Cb 0.34 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.54 1i2d h GLU 180 CO 0.01 0.19 -0.06 1.25 -1.00 0.00 0.00 179.01 179.39 1i2d h LEU 181 N -0.21 -0.24 -0.38 1.33 5.85 -0.83 -0.62 115.31 120.22 1i2d h LEU 181 Ca -0.00 0.08 0.06 0.00 0.84 0.00 0.00 57.88 58.86 1i2d h LEU 181 Cb 0.20 0.17 -0.05 0.00 0.37 0.00 0.00 40.66 41.35 1i2d h LEU 181 CO 0.00 -0.08 0.06 0.03 -0.34 0.00 0.00 178.44 178.10 1i2d h ARG 182 N 0.02 0.17 -0.05 1.25 3.08 -1.28 0.26 114.38 117.82 1i2d h ARG 182 Ca 0.14 -0.01 -0.01 0.00 0.07 0.00 0.00 59.98 60.18 1i2d h ARG 182 Cb 0.21 -0.04 -0.00 0.00 0.08 0.00 0.00 29.97 30.22 1i2d h ARG 182 CO -0.29 0.11 0.00 0.28 -1.07 0.00 0.00 179.97 179.00 1i2d h VAL 183 N 0.17 1.04 -0.02 2.04 2.07 -0.65 -1.54 116.25 119.36 1i2d h VAL 183 Ca 0.18 -0.14 -0.02 0.00 0.82 0.00 0.00 66.70 67.54 1i2d h VAL 183 Cb 0.23 1.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.99 1i2d h VAL 183 CO -0.26 0.05 -0.08 -0.74 0.02 0.00 0.00 177.57 176.56 1i2d h HIS 184 N 0.07 0.11 -0.80 1.57 6.17 0.67 0.12 115.15 123.07 1i2d h HIS 184 Ca 0.02 -0.05 0.16 0.00 0.71 0.00 0.00 60.37 61.21 1i2d h HIS 184 Cb 0.05 -0.02 -0.05 0.00 2.52 0.00 0.00 27.41 29.91 1i2d h HIS 184 CO 0.00 0.73 0.53 0.74 0.71 0.00 0.00 177.93 180.64 1i2d h PHE 185 N -0.54 0.52 0.08 5.26 0.05 -0.27 0.27 116.94 122.32 1i2d h PHE 185 Ca -0.00 0.02 -0.00 0.00 3.82 0.00 0.00 57.97 61.80 1i2d h PHE 185 Cb 0.74 -0.16 0.00 0.00 2.00 0.00 0.00 35.95 38.52 1i2d h PHE 185 CO 0.15 0.19 -0.04 0.22 -0.18 0.00 0.00 178.31 178.65 1i2d h ASP 186 N 0.44 -0.09 -0.84 2.17 3.58 -1.07 -0.13 116.42 120.47 1i2d h ASP 186 Ca 0.40 -0.39 0.15 0.00 0.42 0.00 0.00 57.03 57.61 1i2d h ASP 186 Cb 0.90 0.02 -0.10 0.00 1.72 0.00 0.00 39.33 41.88 1i2d h ASP 186 CO -0.14 0.37 0.41 0.50 -2.88 0.00 0.00 179.24 177.50 1i2d h LYS 187 N -0.58 0.56 0.00 0.28 3.64 0.19 0.21 116.57 120.87 1i2d h LYS 187 Ca -0.01 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.34 1i2d h LYS 187 Cb 0.48 -0.13 0.00 0.00 -0.41 0.00 0.00 32.23 32.18 1i2d h LYS 187 CO 0.02 0.37 0.00 1.28 -2.27 0.00 0.00 179.45 178.85 1i2d n LEU 188 N -4.91 0.32 -0.34 5.20 4.77 0.67 -4.91 117.00 117.81 1i2d n LEU 188 Ca 0.17 0.56 -0.04 0.00 -0.03 0.00 0.00 56.01 56.68 1i2d n LEU 188 Cb 0.45 -0.50 -0.01 0.00 -2.33 0.00 0.00 43.42 41.04 1i2d n LEU 188 CO 0.20 -0.28 -0.04 0.61 -1.33 0.00 0.00 177.39 176.54 1i2d n GLY 189 N 0.48 0.46 3.88 -0.72 0.00 0.73 -5.03 105.19 104.98 1i2d n GLY 189 Ca 0.04 -0.83 -0.30 0.00 0.00 0.00 0.00 46.02 44.93 1i2d n GLY 189 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1i2d s TRP 190 N -2.15 3.51 0.00 1.61 0.52 -0.15 -5.00 118.94 117.27 1i2d s TRP 190 Ca 0.00 1.02 0.00 0.00 0.02 0.00 0.00 56.10 57.14 1i2d s TRP 190 Cb 0.00 -2.44 0.00 0.00 -1.15 0.00 0.00 33.47 29.88 1i2d s TRP 190 CO 0.00 -0.21 0.00 -1.13 0.02 0.00 0.00 176.95 175.63 1i2d n SER 191 N -1.68 0.00 -3.97 2.95 3.41 -1.26 -4.22 113.62 108.85 1i2d n SER 191 Ca 0.02 0.00 -0.29 0.00 -0.26 0.00 0.00 58.87 58.35 1i2d n SER 191 Cb 0.54 0.00 -0.17 0.00 -0.26 0.00 0.00 64.21 64.33 1i2d n SER 191 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 1i2d s ARG 192 N -0.21 1.95 -0.14 4.33 0.52 -1.26 -3.73 118.95 120.42 1i2d s ARG 192 Ca 0.00 -0.45 -0.01 0.00 -0.52 0.00 0.00 55.73 54.75 1i2d s ARG 192 Cb 0.00 -1.91 0.03 0.00 0.52 0.00 0.00 34.95 33.59 1i2d s ARG 192 CO 0.00 -0.27 -0.05 0.08 0.02 0.00 0.00 175.30 175.08 1i2d s VAL 193 N 1.58 0.99 -0.17 3.52 1.01 -1.26 -0.71 120.40 125.35 1i2d s VAL 193 Ca 0.05 -0.43 -0.19 0.00 0.00 0.00 0.00 61.98 61.41 1i2d s VAL 193 Cb -0.13 -1.12 -0.03 0.00 0.00 0.00 0.00 36.38 35.10 1i2d s VAL 193 CO -0.10 0.22 0.54 -0.69 0.00 0.00 0.00 175.10 175.08 1i2d s VAL 194 N 1.70 5.10 0.03 2.92 1.01 -0.58 -1.15 120.40 129.44 1i2d s VAL 194 Ca 0.03 1.03 -0.02 0.00 0.00 0.00 0.00 61.98 63.02 1i2d s VAL 194 Cb -0.14 -3.87 -0.04 0.00 0.00 0.00 0.00 36.38 32.33 1i2d s VAL 194 CO -0.08 0.20 0.21 0.00 0.00 0.00 0.00 175.10 175.43 1i2d s ALA 195 N 1.43 3.96 -0.17 5.51 0.00 0.52 -1.44 121.76 131.57 1i2d s ALA 195 Ca 0.26 -0.77 0.01 0.00 0.00 0.00 0.00 51.96 51.46 1i2d s ALA 195 Cb -0.16 -1.89 0.02 0.00 0.00 0.00 0.00 23.12 21.10 1i2d s ALA 195 CO 0.10 0.77 -0.18 0.12 0.00 0.00 0.00 175.76 176.58 1i2d s PHE 196 N -1.43 2.59 0.25 0.00 5.36 -0.42 -2.00 117.98 122.34 1i2d s PHE 196 Ca 0.32 -1.54 -0.12 0.00 -0.96 0.00 0.00 56.93 54.63 1i2d s PHE 196 Cb -0.13 -1.81 -0.08 0.00 -0.34 0.00 0.00 43.02 40.66 1i2d s PHE 196 CO 0.23 -0.77 0.60 -1.14 -1.46 0.00 0.00 175.22 172.68 1i2d s GLN 197 N 1.35 3.87 -0.23 10.12 2.00 -1.26 -1.62 119.66 133.89 1i2d s GLN 197 Ca 0.04 0.40 -0.29 0.00 -2.00 0.00 0.00 55.36 53.52 1i2d s GLN 197 Cb -0.13 -2.62 0.16 0.00 0.80 0.00 0.00 33.01 31.22 1i2d s GLN 197 CO -0.12 0.29 1.18 -0.08 -0.50 0.00 0.00 175.29 176.06 1i2d s THR 198 N -1.82 0.00 -0.07 -0.34 -1.32 -1.26 -4.97 115.64 105.86 1i2d s THR 198 Ca 0.48 0.00 0.11 0.00 -1.21 0.00 0.00 61.69 61.07 1i2d s THR 198 Cb -0.11 -1.00 0.19 0.00 -1.51 0.00 0.00 72.50 70.07 1i2d s THR 198 CO 0.20 0.00 1.09 -2.11 -2.21 0.00 0.00 174.62 171.59 1i2d n ARG 199 N 0.88 0.65 -4.19 7.08 1.85 -1.26 -1.27 116.66 120.40 1i2d n ARG 199 Ca -0.07 -1.92 -0.12 0.00 -1.00 0.00 0.00 57.85 54.74 1i2d n ARG 199 Cb 0.58 -0.95 -0.10 0.00 -1.05 0.00 0.00 32.46 30.94 1i2d n ARG 199 CO 0.00 0.00 0.00 -0.80 -0.01 0.00 0.00 177.63 176.82 1i2d s ASN 200 N -2.04 0.44 0.63 2.89 0.01 -1.26 -4.75 114.94 110.87 1i2d s ASN 200 Ca 0.19 -1.28 -0.17 0.00 -0.71 0.00 0.00 52.86 50.89 1i2d s ASN 200 Cb 0.18 0.29 -0.02 0.00 0.41 0.00 0.00 41.25 42.12 1i2d s ASN 200 CO -0.01 -0.75 1.18 -2.16 -1.51 0.00 0.00 177.10 173.86 1i2d s PRO 201 N -4.07 2.79 -0.18 -0.60 0.04 -1.26 -4.95 135.00 126.77 1i2d s PRO 201 Ca 0.30 1.72 -0.17 0.00 0.04 0.00 0.00 61.00 62.89 1i2d s PRO 201 Cb 0.07 -1.92 -0.04 0.00 0.04 0.00 0.00 34.50 32.66 1i2d s PRO 201 CO 0.06 -1.32 0.46 -1.64 0.04 0.00 0.00 177.00 174.60 1i2d s MET 202 N -3.58 4.22 0.40 4.56 -1.94 -1.26 -5.07 119.30 116.63 1i2d s MET 202 Ca 0.75 0.34 0.05 0.00 -1.71 0.00 0.00 55.69 55.11 1i2d s MET 202 Cb -0.28 -3.52 0.05 0.00 2.01 0.00 0.00 34.83 33.09 1i2d s MET 202 CO 0.37 -0.02 0.41 0.72 -0.01 0.00 0.00 175.02 176.48 1i2d n HIS 203 N 4.36 -1.55 -0.20 -0.03 8.25 -1.26 -4.86 115.22 119.93 1i2d n HIS 203 Ca -0.07 -1.58 -0.02 0.00 -0.26 0.00 0.00 57.72 55.79 1i2d n HIS 203 Cb 0.51 -0.35 0.04 0.00 1.12 0.00 0.00 29.99 31.31 1i2d n HIS 203 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1i2d h ARG 204 N 0.00 -0.06 -0.86 -0.41 2.47 -1.69 -0.49 114.38 113.35 1i2d h ARG 204 Ca -0.22 0.00 0.18 0.00 -1.26 0.00 0.00 59.98 58.69 1i2d h ARG 204 Cb 0.89 0.01 -0.11 0.00 -1.65 0.00 0.00 29.97 29.11 1i2d h ARG 204 CO 0.34 -0.04 0.39 0.00 0.56 0.00 0.00 179.97 181.21 1i2d h ALA 205 N 1.41 1.32 -0.08 0.04 0.00 -1.87 -1.12 119.26 118.96 1i2d h ALA 205 Ca 0.27 0.13 -0.15 0.00 0.00 0.00 0.00 54.91 55.17 1i2d h ALA 205 Cb 0.48 0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.35 1i2d h ALA 205 CO -0.63 -0.24 -0.59 0.45 0.00 0.00 0.00 179.25 178.23 1i2d h HIS 206 N 0.47 0.35 -0.40 0.00 3.86 -1.48 -1.61 115.15 116.34 1i2d h HIS 206 Ca 0.50 -0.13 -0.04 0.00 -1.16 0.00 0.00 60.37 59.55 1i2d h HIS 206 Cb 0.86 -0.06 -0.02 0.00 1.06 0.00 0.00 27.41 29.25 1i2d h HIS 206 CO -0.13 0.80 0.10 -0.09 0.86 0.00 0.00 177.93 179.46 1i2d h ARG 207 N 0.20 0.60 -0.25 2.45 1.12 -0.73 -2.41 114.38 115.36 1i2d h ARG 207 Ca -0.00 -0.10 -0.18 0.00 -1.11 0.00 0.00 59.98 58.58 1i2d h ARG 207 Cb 1.10 -0.10 0.00 0.00 -0.01 0.00 0.00 29.97 30.96 1i2d h ARG 207 CO 0.09 0.55 -0.56 0.93 -3.11 0.00 0.00 179.97 177.87 1i2d h GLU 208 N 0.59 0.83 0.24 0.20 4.39 -0.57 -2.51 114.58 117.75 1i2d h GLU 208 Ca 0.14 -0.55 0.01 0.00 0.34 0.00 0.00 59.36 59.29 1i2d h GLU 208 Cb 0.23 0.08 -0.04 0.00 -0.10 0.00 0.00 28.75 28.91 1i2d h GLU 208 CO -0.00 1.18 -0.45 -0.07 -1.16 0.00 0.00 179.01 178.51 1i2d h LEU 209 N 0.59 -1.30 -0.72 1.33 3.38 -0.92 -0.20 115.31 117.49 1i2d h LEU 209 Ca 0.00 0.13 0.11 0.00 0.09 0.00 0.00 57.88 58.21 1i2d h LEU 209 Cb 1.18 0.47 -0.08 0.00 0.09 0.00 0.00 40.66 42.31 1i2d h LEU 209 CO 0.12 -0.55 0.32 0.71 0.09 0.00 0.00 178.44 179.14 1i2d h THR 210 N -0.77 0.77 -0.03 0.22 1.35 -1.50 0.24 112.91 113.19 1i2d h THR 210 Ca -0.01 -0.18 -0.12 0.00 -0.55 0.00 0.00 66.41 65.55 1i2d h THR 210 Cb 0.74 0.20 -0.01 0.00 -1.73 0.00 0.00 68.15 67.35 1i2d h THR 210 CO -0.19 0.09 -0.54 0.58 -0.25 0.00 0.00 175.52 175.21 1i2d h VAL 211 N 0.52 1.38 -0.35 6.82 2.07 -1.14 -0.71 116.25 124.83 1i2d h VAL 211 Ca 0.37 -1.86 -0.08 0.00 0.82 0.00 0.00 66.70 65.95 1i2d h VAL 211 Cb 0.47 1.97 -0.01 0.00 -1.52 0.00 0.00 31.29 32.20 1i2d h VAL 211 CO -0.32 0.54 -0.09 0.03 0.02 0.00 0.00 177.57 177.74 1i2d h ARG 212 N 0.07 0.69 -0.48 1.57 3.08 0.52 -0.76 114.38 119.05 1i2d h ARG 212 Ca -0.00 -0.27 -0.09 0.00 0.07 0.00 0.00 59.98 59.69 1i2d h ARG 212 Cb 0.98 -0.04 -0.02 0.00 0.08 0.00 0.00 29.97 30.98 1i2d h ARG 212 CO 0.08 0.85 -0.05 0.00 -1.07 0.00 0.00 179.97 179.78 1i2d h ALA 213 N 0.81 0.66 -0.48 0.04 0.00 -0.40 0.19 119.26 120.08 1i2d h ALA 213 Ca 0.09 -0.31 0.03 0.00 0.00 0.00 0.00 54.91 54.72 1i2d h ALA 213 Cb 0.60 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.18 1i2d h ALA 213 CO 0.04 0.51 0.27 0.00 0.00 0.00 0.00 179.25 180.07 1i2d h ALA 214 N 0.91 0.61 0.03 0.00 0.00 -0.98 0.43 119.26 120.25 1i2d h ALA 214 Ca 0.13 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 55.04 1i2d h ALA 214 Cb 0.58 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.25 1i2d h ALA 214 CO 0.03 -0.04 -0.01 -0.09 0.00 0.00 0.00 179.25 179.14 1i2d h ARG 215 N 0.54 -0.03 0.09 0.00 2.43 -0.91 0.19 114.38 116.68 1i2d h ARG 215 Ca 0.20 0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.36 1i2d h ARG 215 Cb 0.04 0.01 0.00 0.00 -0.42 0.00 0.00 29.97 29.60 1i2d h ARG 215 CO -0.10 0.21 -0.04 0.66 -1.51 0.00 0.00 179.97 179.18 1i2d h SER 216 N -0.27 -0.10 -0.18 -3.80 4.64 -0.73 -2.86 113.55 110.25 1i2d h SER 216 Ca -0.00 -0.28 0.00 0.00 -0.47 0.00 0.00 61.79 61.04 1i2d h SER 216 Cb 0.25 0.03 0.00 0.00 -0.31 0.00 0.00 62.40 62.37 1i2d h SER 216 CO 0.01 0.23 0.00 0.54 -0.87 0.00 0.00 176.83 176.74 1i2d n ARG 217 N -4.99 1.48 -3.91 4.77 5.12 0.15 -4.89 116.66 114.39 1i2d n ARG 217 Ca -0.08 -0.67 -0.32 0.00 -1.93 0.00 0.00 57.85 54.84 1i2d n ARG 217 Cb 0.20 -1.20 0.00 0.00 -1.16 0.00 0.00 32.46 30.30 1i2d n ARG 217 CO 0.00 0.00 0.00 1.04 -1.93 0.00 0.00 177.63 176.74 1i2d n GLN 218 N 0.05 -1.77 -4.33 5.56 1.13 0.11 -4.96 117.38 113.17 1i2d n GLN 218 Ca 0.06 0.33 -0.17 0.00 -1.94 0.00 0.00 57.00 55.29 1i2d n GLN 218 Cb 0.19 -3.93 -0.10 0.00 0.11 0.00 0.00 30.24 26.51 1i2d n GLN 218 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1i2d s ALA 219 N -3.74 1.82 0.47 -1.58 0.00 0.42 -4.80 121.76 114.36 1i2d s ALA 219 Ca 0.27 -1.74 -0.03 0.00 0.00 0.00 0.00 51.96 50.46 1i2d s ALA 219 Cb -0.11 0.38 -0.02 0.00 0.00 0.00 0.00 23.12 23.37 1i2d s ALA 219 CO 0.90 -0.20 0.73 -0.80 0.00 0.00 0.00 175.76 176.40 1i2d s ASN 220 N -3.30 6.01 -0.14 0.00 0.01 0.11 -4.54 114.94 113.10 1i2d s ASN 220 Ca 0.27 0.62 -0.04 0.00 -0.71 0.00 0.00 52.86 53.00 1i2d s ASN 220 Cb 0.05 -1.90 -0.03 0.00 0.41 0.00 0.00 41.25 39.77 1i2d s ASN 220 CO 0.08 -0.66 -0.00 -0.69 -1.51 0.00 0.00 177.10 174.32 1i2d s VAL 221 N -2.66 4.24 -0.37 1.60 1.01 -0.23 -1.52 120.40 122.47 1i2d s VAL 221 Ca 0.48 -0.25 -0.00 0.00 0.00 0.00 0.00 61.98 62.21 1i2d s VAL 221 Cb -0.10 -2.84 0.10 0.00 0.00 0.00 0.00 36.38 33.54 1i2d s VAL 221 CO 0.41 0.52 0.13 -0.22 0.00 0.00 0.00 175.10 175.95 1i2d s LEU 222 N -0.07 4.96 -0.48 3.92 2.96 -0.52 -0.78 118.68 128.67 1i2d s LEU 222 Ca 0.03 -2.01 -0.28 0.00 -0.22 0.00 0.00 54.13 51.65 1i2d s LEU 222 Cb -0.13 -1.75 0.03 0.00 0.50 0.00 0.00 46.19 44.84 1i2d s LEU 222 CO 0.02 -0.46 1.12 -0.63 -1.32 0.00 0.00 176.35 175.07 1i2d s ILE 223 N 1.06 4.22 -0.74 6.68 1.01 0.30 -1.30 121.20 132.44 1i2d s ILE 223 Ca 0.08 1.14 0.04 0.00 0.00 0.00 0.00 60.65 61.90 1i2d s ILE 223 Cb -0.21 -4.59 0.21 0.00 0.01 0.00 0.00 42.46 37.87 1i2d s ILE 223 CO -0.05 -1.02 0.67 1.57 0.00 0.00 0.00 174.94 176.11 1i2d n HIS 224 N 7.81 3.53 -2.64 3.97 -0.00 -0.64 -1.45 115.22 125.80 1i2d n HIS 224 Ca 0.11 -4.16 -0.33 0.00 0.46 0.00 0.00 57.72 53.80 1i2d n HIS 224 Cb 0.49 -0.74 -0.05 0.00 -0.12 0.00 0.00 29.99 29.57 1i2d n HIS 224 CO 0.00 0.00 0.00 -1.25 0.46 0.00 0.00 176.34 175.55 1i2d s PRO 225 N -1.81 4.08 0.11 1.57 0.04 -1.20 -4.08 135.00 133.72 1i2d s PRO 225 Ca 0.30 1.08 -0.28 0.00 0.04 0.00 0.00 61.00 62.14 1i2d s PRO 225 Cb 0.01 -2.16 -0.06 0.00 0.04 0.00 0.00 34.50 32.33 1i2d s PRO 225 CO -0.11 -0.16 0.88 0.08 0.04 0.00 0.00 177.00 177.74 1i2d s VAL 226 N -2.33 4.51 0.00 -0.36 1.01 -0.40 -1.37 120.40 121.47 1i2d s VAL 226 Ca 0.61 1.91 0.00 0.00 0.00 0.00 0.00 61.98 64.50 1i2d s VAL 226 Cb -0.10 -4.25 0.00 0.00 0.00 0.00 0.00 36.38 32.03 1i2d s VAL 226 CO 0.20 0.37 0.36 0.52 0.00 0.00 0.00 175.10 176.55 1i2d n VAL 227 N 2.54 0.11 0.00 2.92 0.31 -0.08 -4.87 118.33 119.26 1i2d n VAL 227 Ca -0.00 -0.30 0.00 0.00 -0.01 0.00 0.00 64.34 64.02 1i2d n VAL 227 Cb 0.49 1.33 0.00 0.00 -0.91 0.00 0.00 33.84 34.76 1i2d n VAL 227 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1i2d n GLY 228 N -0.06 0.38 2.88 2.92 0.00 -1.15 -4.94 105.19 105.23 1i2d n GLY 228 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.90 1i2d n GLY 228 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1i2d s LEU 229 N -2.67 1.97 0.00 0.99 1.43 -0.45 -4.94 118.68 115.02 1i2d s LEU 229 Ca 0.00 0.01 0.00 0.00 -1.03 0.00 0.00 54.13 53.11 1i2d s LEU 229 Cb 0.00 0.03 0.00 0.00 0.03 0.00 0.00 46.19 46.25 1i2d s LEU 229 CO 0.00 -0.01 0.00 0.41 0.23 0.00 0.00 176.35 176.98 1i2d n THR 230 N 3.04 0.00 -1.83 5.49 -1.04 -1.26 -0.89 114.28 117.80 1i2d n THR 230 Ca -0.12 0.00 -0.36 0.00 -2.04 0.00 0.00 64.05 61.53 1i2d n THR 230 Cb 0.60 0.00 0.05 0.00 -1.82 0.00 0.00 70.33 69.16 1i2d n THR 230 CO 0.00 0.00 0.00 -0.75 -0.64 0.00 0.00 175.07 173.68 1i2d s LYS 231 N -0.25 2.70 0.26 -2.82 2.20 -1.26 -4.88 119.74 115.69 1i2d s LYS 231 Ca 0.00 1.90 -0.11 0.00 -0.36 0.00 0.00 55.97 57.40 1i2d s LYS 231 Cb 0.00 -1.89 0.39 0.00 -1.51 0.00 0.00 37.83 34.82 1i2d s LYS 231 CO 0.00 -1.44 1.54 -2.30 -0.36 0.00 0.00 175.35 172.79 1i2d n PRO 232 N -1.88 -0.13 -1.06 4.03 -0.02 -1.26 -3.14 135.00 131.53 1i2d n PRO 232 Ca 0.14 1.53 -0.13 0.00 -2.02 0.00 0.00 63.50 63.03 1i2d n PRO 232 Cb 0.49 -2.29 0.17 0.00 -0.02 0.00 0.00 33.50 31.85 1i2d n PRO 232 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1i2d n GLY 233 N -1.57 5.12 3.91 -1.23 0.00 -1.26 -5.04 105.19 105.11 1i2d n GLY 233 Ca 0.14 -1.48 -0.28 0.00 0.00 0.00 0.00 46.02 44.41 1i2d n GLY 233 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1i2d s ASP 234 N -2.42 5.22 0.15 1.61 -0.00 -1.19 -4.97 116.67 115.08 1i2d s ASP 234 Ca 0.49 0.81 -0.33 0.00 -0.00 0.00 0.00 52.55 53.51 1i2d s ASP 234 Cb 0.43 -1.59 -0.13 0.00 -0.00 0.00 0.00 42.92 41.63 1i2d s ASP 234 CO 0.02 -1.39 1.65 -0.38 -0.00 0.00 0.00 175.17 175.07 1i2d n ILE 235 N -2.90 0.07 -1.12 0.77 5.41 -1.26 -4.89 119.36 115.44 1i2d n ILE 235 Ca 0.06 -0.01 -0.36 0.00 1.00 0.00 0.00 62.75 63.44 1i2d n ILE 235 Cb 0.59 -1.70 0.06 0.00 -0.71 0.00 0.00 39.64 37.88 1i2d n ILE 235 CO 0.00 0.00 0.00 -0.90 0.00 0.00 0.00 176.55 175.65 1i2d n ASP 236 N 3.94 -3.21 0.18 4.38 5.68 -1.26 -4.74 116.55 121.52 1i2d n ASP 236 Ca 0.17 0.46 0.04 0.00 -0.50 0.00 0.00 54.79 54.96 1i2d n ASP 236 Cb 0.31 -1.01 0.30 0.00 -1.14 0.00 0.00 41.12 39.58 1i2d n ASP 236 CO 0.00 0.00 0.00 1.12 -1.33 0.00 0.00 177.20 176.99 1i2d h HIS 237 N -0.63 0.00 -0.61 2.11 2.07 -1.92 -2.72 115.15 113.45 1i2d h HIS 237 Ca -0.44 0.00 -0.04 0.00 -2.85 0.00 0.00 60.37 57.04 1i2d h HIS 237 Cb 1.35 0.00 -0.03 0.00 2.57 0.00 0.00 27.41 31.30 1i2d h HIS 237 CO 0.29 0.42 0.23 0.74 -3.07 0.00 0.00 177.93 176.53 1i2d h PHE 238 N 0.00 0.94 -0.66 6.12 -1.00 -1.98 0.24 116.94 120.59 1i2d h PHE 238 Ca -0.00 -0.08 -0.09 0.00 2.81 0.00 0.00 57.97 60.61 1i2d h PHE 238 Cb 0.94 -0.28 -0.03 0.00 3.61 0.00 0.00 35.95 40.20 1i2d h PHE 238 CO 0.00 0.76 0.08 1.15 -1.61 0.00 0.00 178.31 178.69 1i2d h THR 239 N 0.85 1.27 -0.10 -1.55 2.02 -1.89 -1.86 112.91 111.64 1i2d h THR 239 Ca 0.20 -1.08 -0.01 0.00 0.77 0.00 0.00 66.41 66.29 1i2d h THR 239 Cb 0.23 0.66 -0.00 0.00 -1.74 0.00 0.00 68.15 67.30 1i2d h THR 239 CO -0.01 0.40 0.02 0.03 0.37 0.00 0.00 175.52 176.33 1i2d h ARG 240 N 1.04 0.17 -0.97 6.66 3.08 -1.15 -0.51 114.38 122.70 1i2d h ARG 240 Ca 0.20 -0.04 0.05 0.00 0.07 0.00 0.00 59.98 60.26 1i2d h ARG 240 Cb 0.48 -0.02 -0.06 0.00 0.08 0.00 0.00 29.97 30.44 1i2d h ARG 240 CO 0.02 0.36 0.63 0.28 -1.07 0.00 0.00 179.97 180.18 1i2d h VAL 241 N -0.06 1.11 -0.79 2.04 2.07 -0.48 0.41 116.25 120.55 1i2d h VAL 241 Ca 0.03 -0.40 0.01 0.00 0.82 0.00 0.00 66.70 67.16 1i2d h VAL 241 Cb 0.27 -0.16 -0.04 0.00 -1.52 0.00 0.00 31.29 29.84 1i2d h VAL 241 CO 0.00 0.21 0.52 -0.09 0.02 0.00 0.00 177.57 178.23 1i2d h ARG 242 N 1.16 1.03 -0.40 1.57 2.43 -1.07 0.69 114.38 119.80 1i2d h ARG 242 Ca 0.41 -0.06 -0.08 0.00 -0.81 0.00 0.00 59.98 59.44 1i2d h ARG 242 Cb 0.11 -0.23 -0.01 0.00 -0.42 0.00 0.00 29.97 29.42 1i2d h ARG 242 CO -0.16 0.68 -0.06 0.00 -1.51 0.00 0.00 179.97 178.92 1i2d h ALA 243 N 1.29 0.54 -0.68 2.80 0.00 0.84 -1.60 119.26 122.46 1i2d h ALA 243 Ca 0.29 -0.29 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 1i2d h ALA 243 Cb -0.11 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.50 1i2d h ALA 243 CO -0.07 0.38 0.40 1.88 0.00 0.00 0.00 179.25 181.84 1i2d h TYR 244 N 0.56 0.91 -0.60 0.00 0.99 0.15 -2.04 116.97 116.95 1i2d h TYR 244 Ca 0.11 -0.01 -0.01 0.00 2.00 0.00 0.00 58.73 60.81 1i2d h TYR 244 Cb 0.56 -0.30 -0.03 0.00 1.00 0.00 0.00 36.73 37.97 1i2d h TYR 244 CO 0.05 0.63 0.32 1.96 -0.00 0.00 0.00 178.16 181.12 1i2d h GLN 245 N 0.93 0.82 0.00 4.88 4.20 -0.64 -1.21 115.11 124.09 1i2d h GLN 245 Ca 0.24 -0.09 0.00 0.00 0.06 0.00 0.00 58.65 58.87 1i2d h GLN 245 Cb -0.00 -0.17 0.00 0.00 0.30 0.00 0.00 27.48 27.61 1i2d h GLN 245 CO -0.04 0.61 0.00 0.00 -0.67 0.00 0.00 178.83 178.73 1i2d h ALA 246 N 1.52 1.00 0.08 3.87 0.00 -0.58 -3.06 119.26 122.09 1i2d h ALA 246 Ca 0.21 0.00 -0.31 0.00 0.00 0.00 0.00 54.91 54.82 1i2d h ALA 246 Cb 0.03 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 1i2d h ALA 246 CO -0.03 0.00 -1.62 1.25 0.00 0.00 0.00 179.25 178.84 1i2d h LEU 247 N 0.00 0.26 -0.98 0.00 5.85 -0.85 -3.39 115.31 116.20 1i2d h LEU 247 Ca 0.00 -0.43 0.20 0.00 0.84 0.00 0.00 57.88 58.49 1i2d h LEU 247 Cb 0.39 -0.08 -0.19 0.00 0.37 0.00 0.00 40.66 41.15 1i2d h LEU 247 CO 0.00 1.37 -0.23 0.18 -0.34 0.00 0.00 178.44 179.42 1i2d n LEU 248 N -3.34 -0.34 0.00 2.25 4.77 -0.97 -0.33 117.00 119.05 1i2d n LEU 248 Ca -0.18 1.68 0.00 0.00 -0.03 0.00 0.00 56.01 57.48 1i2d n LEU 248 Cb 1.04 -0.52 0.00 0.00 -2.33 0.00 0.00 43.42 41.61 1i2d n LEU 248 CO 0.47 -1.62 0.41 -2.65 -1.33 0.00 0.00 177.39 172.67 1i2d n PRO 249 N -5.59 0.00 0.00 3.23 -0.02 -1.26 -1.07 135.00 130.29 1i2d n PRO 249 Ca 0.16 0.31 0.14 0.00 -2.02 0.00 0.00 63.50 62.09 1i2d n PRO 249 Cb 0.51 -1.53 0.55 0.00 -0.02 0.00 0.00 33.50 33.01 1i2d n PRO 249 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 1i2d n ARG 250 N -1.30 1.40 -4.09 -0.52 5.12 0.56 -4.86 116.66 112.97 1i2d n ARG 250 Ca 0.00 -0.74 -0.25 0.00 -1.93 0.00 0.00 57.85 54.93 1i2d n ARG 250 Cb 0.03 -1.48 -0.05 0.00 -1.16 0.00 0.00 32.46 29.80 1i2d n ARG 250 CO 0.00 0.00 0.00 0.71 -1.93 0.00 0.00 177.63 176.41 1i2d s TYR 251 N -2.11 3.14 0.48 -1.55 1.51 -0.23 -5.07 117.35 113.52 1i2d s TYR 251 Ca 0.36 -0.04 -0.23 0.00 -1.01 0.00 0.00 57.07 56.14 1i2d s TYR 251 Cb 0.21 -1.48 -0.07 0.00 -0.11 0.00 0.00 41.96 40.51 1i2d s TYR 251 CO 0.38 0.52 1.32 -1.25 -1.11 0.00 0.00 175.55 175.41 1i2d s PRO 252 N -3.30 3.52 0.04 -1.71 0.04 -1.26 -4.82 135.00 127.51 1i2d s PRO 252 Ca 0.31 2.16 -0.32 0.00 0.04 0.00 0.00 61.00 63.19 1i2d s PRO 252 Cb -0.09 -2.46 -0.17 0.00 0.04 0.00 0.00 34.50 31.82 1i2d s PRO 252 CO 0.24 -0.86 0.82 0.09 0.04 0.00 0.00 177.00 177.33 1i2d n ASN 253 N -0.54 -0.27 -2.82 6.66 3.02 -1.26 -2.07 115.26 117.97 1i2d n ASN 253 Ca 0.07 1.01 -0.22 0.00 -0.03 0.00 0.00 54.58 55.41 1i2d n ASN 253 Cb 0.45 -0.81 0.02 0.00 -0.61 0.00 0.00 39.78 38.83 1i2d n ASN 253 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1i2d n GLY 254 N 1.42 -0.50 0.05 7.41 0.00 -1.26 -4.89 105.19 107.42 1i2d n GLY 254 Ca 0.17 0.09 -0.05 0.00 0.00 0.00 0.00 46.02 46.23 1i2d n GLY 254 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 1i2d n MET 255 N -3.74 2.14 -4.33 1.61 1.56 -0.88 -5.00 117.12 108.47 1i2d n MET 255 Ca -0.15 -0.01 -0.24 0.00 -0.27 0.00 0.00 57.70 57.04 1i2d n MET 255 Cb 0.64 -1.28 -0.12 0.00 2.15 0.00 0.00 33.22 34.61 1i2d n MET 255 CO 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 175.97 175.24 1i2d s ALA 256 N -2.28 2.04 0.01 -5.12 0.00 -1.26 -1.06 121.76 114.08 1i2d s ALA 256 Ca -0.05 -1.43 0.04 0.00 0.00 0.00 0.00 51.96 50.51 1i2d s ALA 256 Cb 0.03 -0.23 -0.02 0.00 0.00 0.00 0.00 23.12 22.90 1i2d s ALA 256 CO 0.45 0.32 -0.13 0.08 0.00 0.00 0.00 175.76 176.48 1i2d s VAL 257 N -1.67 1.02 -0.22 0.00 1.01 0.04 -4.96 120.40 115.63 1i2d s VAL 257 Ca 0.13 -0.75 -0.05 0.00 0.00 0.00 0.00 61.98 61.31 1i2d s VAL 257 Cb -0.08 -0.89 -0.02 0.00 0.00 0.00 0.00 36.38 35.39 1i2d s VAL 257 CO 0.06 0.14 0.00 -0.22 0.00 0.00 0.00 175.10 175.09 1i2d s LEU 258 N -0.70 3.17 -0.04 3.92 2.96 -1.26 -0.54 118.68 126.20 1i2d s LEU 258 Ca 0.03 -0.28 0.01 0.00 -0.22 0.00 0.00 54.13 53.68 1i2d s LEU 258 Cb -0.06 -1.82 0.02 0.00 0.50 0.00 0.00 46.19 44.82 1i2d s LEU 258 CO 0.00 0.00 -0.06 -0.83 -1.32 0.00 0.00 176.35 174.15 1i2d s GLY 259 N 1.37 0.46 0.03 7.98 0.00 -0.53 -4.89 107.32 111.75 1i2d s GLY 259 Ca 0.05 -0.12 -0.17 0.00 0.00 0.00 0.00 44.72 44.47 1i2d s GLY 259 CO 0.00 0.28 0.50 1.08 0.00 0.00 0.00 173.10 174.97 1i2d s LEU 260 N 0.70 4.50 -0.17 0.66 1.43 0.48 -3.21 118.68 123.06 1i2d s LEU 260 Ca -0.10 1.12 -0.02 0.00 -1.03 0.00 0.00 54.13 54.10 1i2d s LEU 260 Cb -0.13 -2.76 -0.01 0.00 0.03 0.00 0.00 46.19 43.32 1i2d s LEU 260 CO 0.00 0.28 -0.08 -0.22 0.23 0.00 0.00 176.35 176.57 1i2d s LEU 261 N -1.01 2.86 0.00 1.79 2.96 -0.47 -3.79 118.68 121.01 1i2d s LEU 261 Ca 0.27 -0.33 0.00 0.00 -0.22 0.00 0.00 54.13 53.84 1i2d s LEU 261 Cb -0.18 -1.69 0.00 0.00 0.50 0.00 0.00 46.19 44.82 1i2d s LEU 261 CO 0.16 0.08 1.38 0.61 -1.32 0.00 0.00 176.35 177.26 1i2d n GLY 262 N 4.10 2.13 3.79 7.98 0.00 -1.26 -0.90 105.19 121.02 1i2d n GLY 262 Ca -0.18 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.49 1i2d n GLY 262 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1i2d s LEU 263 N 0.00 3.91 -0.62 0.99 2.96 -1.26 -4.46 118.68 120.21 1i2d s LEU 263 Ca 0.00 2.04 -0.06 0.00 -0.22 0.00 0.00 54.13 55.90 1i2d s LEU 263 Cb 0.00 -4.44 0.16 0.00 0.50 0.00 0.00 46.19 42.41 1i2d s LEU 263 CO 0.00 -0.81 0.46 0.00 -1.32 0.00 0.00 176.35 174.68 1i2d s ALA 264 N -1.82 3.60 0.87 5.97 0.00 -1.26 -1.34 121.76 127.78 1i2d s ALA 264 Ca 0.66 -3.09 -0.12 0.00 0.00 0.00 0.00 51.96 49.40 1i2d s ALA 264 Cb -0.20 -2.80 0.09 0.00 0.00 0.00 0.00 23.12 20.20 1i2d s ALA 264 CO 0.25 -2.07 0.94 -1.33 0.00 0.00 0.00 175.76 173.54 1i2d n MET 265 N 3.88 -0.15 -0.00 0.00 2.81 -0.07 -4.89 117.12 118.71 1i2d n MET 265 Ca 0.06 0.02 0.01 0.00 -1.81 0.00 0.00 57.70 55.98 1i2d n MET 265 Cb 0.40 -2.23 -0.03 0.00 -0.71 0.00 0.00 33.22 30.66 1i2d n MET 265 CO 0.00 0.00 0.00 0.54 1.51 0.00 0.00 175.97 178.02 1i2d n ARG 266 N -3.04 0.36 -2.76 0.03 3.00 -1.26 -4.75 116.66 108.25 1i2d n ARG 266 Ca 0.11 -0.03 -0.09 0.00 -0.01 0.00 0.00 57.85 57.84 1i2d n ARG 266 Cb 0.52 -1.08 0.04 0.00 0.00 0.00 0.00 32.46 31.93 1i2d n ARG 266 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.63 176.30 1i2d n MET 267 N -1.66 -3.08 -0.51 5.56 2.81 -1.26 -3.93 117.12 115.04 1i2d n MET 267 Ca -0.01 0.36 -0.03 0.00 -1.81 0.00 0.00 57.70 56.21 1i2d n MET 267 Cb 0.13 -3.95 0.15 0.00 -0.71 0.00 0.00 33.22 28.84 1i2d n MET 267 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1i2d n GLY 268 N -1.09 2.67 6.58 3.03 0.00 -1.22 -4.42 105.19 110.73 1i2d n GLY 268 Ca -0.07 -0.49 0.00 0.00 0.00 0.00 0.00 46.02 45.46 1i2d n GLY 268 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1i2d n GLY 269 N 0.03 2.24 0.32 -0.02 0.00 -0.63 -1.63 105.19 105.51 1i2d n GLY 269 Ca 0.21 0.13 0.12 0.00 0.00 0.00 0.00 46.02 46.48 1i2d n GLY 269 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1i2d h PRO 270 N 0.00 0.07 -0.20 1.61 0.11 -1.89 -0.05 132.00 131.65 1i2d h PRO 270 Ca 0.00 -0.00 -0.09 0.00 0.11 0.00 0.00 66.00 66.02 1i2d h PRO 270 Cb 0.00 -0.02 -0.00 0.00 0.11 0.00 0.00 31.00 31.09 1i2d h PRO 270 CO 0.00 0.05 -0.21 0.00 -0.21 0.00 0.00 178.00 177.62 1i2d h ARG 271 N 0.07 0.49 -0.21 1.05 3.08 -1.63 -2.61 114.38 114.62 1i2d h ARG 271 Ca 0.55 -0.26 0.06 0.00 0.07 0.00 0.00 59.98 60.40 1i2d h ARG 271 Cb 1.11 0.01 -0.01 0.00 0.08 0.00 0.00 29.97 31.17 1i2d h ARG 271 CO -0.81 0.84 0.16 1.49 -1.07 0.00 0.00 179.97 180.58 1i2d h GLU 272 N 0.16 0.00 -0.23 0.04 4.81 -0.94 -1.06 114.58 117.36 1i2d h GLU 272 Ca 0.03 0.00 -0.05 0.00 -0.13 0.00 0.00 59.36 59.21 1i2d h GLU 272 Cb 0.76 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.13 1i2d h GLU 272 CO 0.05 0.00 -0.04 0.00 -0.73 0.00 0.00 179.01 178.29 1i2d h ALA 273 N 1.88 0.31 -0.11 2.92 0.00 -0.72 0.21 119.26 123.76 1i2d h ALA 273 Ca 0.10 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.77 1i2d h ALA 273 Cb 0.42 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 1i2d h ALA 273 CO -0.00 0.09 0.07 0.82 0.00 0.00 0.00 179.25 180.22 1i2d h ILE 274 N 0.18 1.02 -0.45 0.00 2.04 -1.04 -1.57 117.51 117.68 1i2d h ILE 274 Ca 0.06 -0.05 0.09 0.00 1.00 0.00 0.00 64.86 65.96 1i2d h ILE 274 Cb 0.48 0.87 -0.09 0.00 -0.74 0.00 0.00 36.82 37.34 1i2d h ILE 274 CO 0.02 0.03 -0.12 -0.25 0.00 0.00 0.00 178.15 177.82 1i2d h TRP 275 N 0.14 -0.26 -0.52 1.37 7.01 -1.07 -1.75 115.95 120.87 1i2d h TRP 275 Ca 0.04 0.04 0.03 0.00 2.11 0.00 0.00 58.89 61.11 1i2d h TRP 275 Cb -0.01 0.19 -0.04 0.00 -2.10 0.00 0.00 29.16 27.20 1i2d h TRP 275 CO -0.08 -0.20 0.31 0.45 -2.79 0.00 0.00 178.44 176.13 1i2d h HIS 276 N -0.01 0.57 -0.89 2.65 3.86 -0.17 -0.79 115.15 120.37 1i2d h HIS 276 Ca 0.22 0.02 0.07 0.00 -1.16 0.00 0.00 60.37 59.51 1i2d h HIS 276 Cb 0.34 -0.18 -0.06 0.00 1.06 0.00 0.00 27.41 28.57 1i2d h HIS 276 CO -0.40 0.32 0.58 0.00 0.86 0.00 0.00 177.93 179.29 1i2d h ALA 277 N 1.24 1.54 0.09 2.45 0.00 -0.47 0.81 119.26 124.92 1i2d h ALA 277 Ca 0.21 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.10 1i2d h ALA 277 Cb 0.04 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.57 1i2d h ALA 277 CO -0.10 0.31 -0.04 0.82 0.00 0.00 0.00 179.25 180.24 1i2d h ILE 278 N 0.99 1.06 -0.45 0.00 2.04 -0.58 -1.69 117.51 118.88 1i2d h ILE 278 Ca 0.39 -0.52 0.03 0.00 1.00 0.00 0.00 64.86 65.76 1i2d h ILE 278 Cb 0.24 1.40 -0.04 0.00 -0.74 0.00 0.00 36.82 37.68 1i2d h ILE 278 CO -0.15 0.13 0.24 0.40 0.00 0.00 0.00 178.15 178.77 1i2d h ILE 279 N -0.35 0.99 -0.39 -0.67 2.04 -0.49 -0.05 117.51 118.58 1i2d h ILE 279 Ca -0.01 -0.16 -0.05 0.00 1.00 0.00 0.00 64.86 65.64 1i2d h ILE 279 Cb 0.30 0.47 -0.02 0.00 -0.74 0.00 0.00 36.82 36.83 1i2d h ILE 279 CO 0.02 0.09 0.04 0.03 0.00 0.00 0.00 178.15 178.32 1i2d h ARG 280 N 0.48 0.61 -0.57 2.37 -0.00 -0.84 -1.05 114.38 115.37 1i2d h ARG 280 Ca 0.19 -0.13 -0.08 0.00 -0.50 0.00 0.00 59.98 59.47 1i2d h ARG 280 Cb 0.08 -0.09 -0.02 0.00 0.00 0.00 0.00 29.97 29.93 1i2d h ARG 280 CO -0.12 0.60 0.05 -0.22 0.00 0.00 0.00 179.97 180.28 1i2d h LYS 281 N 0.58 0.97 -0.33 0.04 3.64 -0.63 0.08 116.57 120.93 1i2d h LYS 281 Ca 0.13 -0.28 -0.07 0.00 -1.27 0.00 0.00 60.65 59.15 1i2d h LYS 281 Cb 0.31 -0.10 -0.02 0.00 -0.41 0.00 0.00 32.23 32.02 1i2d h LYS 281 CO 0.01 0.95 -0.09 -0.91 -2.27 0.00 0.00 179.45 177.14 1i2d h ASN 282 N 0.86 0.52 0.62 4.20 2.35 -0.33 -1.04 115.58 122.78 1i2d h ASN 282 Ca 0.17 -0.13 0.00 0.00 -0.55 0.00 0.00 56.30 55.79 1i2d h ASN 282 Cb 0.48 -0.14 0.00 0.00 0.05 0.00 0.00 38.32 38.71 1i2d h ASN 282 CO 0.02 0.66 0.00 1.41 -1.65 0.00 0.00 177.43 177.87 1i2d n HIS 283 N -4.21 0.00 0.00 1.19 8.25 -0.46 -4.81 115.22 115.17 1i2d n HIS 283 Ca 0.01 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.47 1i2d n HIS 283 Cb 0.31 -0.38 0.00 0.00 1.12 0.00 0.00 29.99 31.04 1i2d n HIS 283 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1i2d n GLY 284 N 0.86 0.97 3.75 -1.41 0.00 -0.39 -4.25 105.19 104.72 1i2d n GLY 284 Ca 0.09 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.71 1i2d n GLY 284 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1i2d s ALA 285 N -2.00 3.34 -0.34 4.61 0.00 -0.12 -3.15 121.76 124.11 1i2d s ALA 285 Ca 0.00 0.57 0.23 0.00 0.00 0.00 0.00 51.96 52.75 1i2d s ALA 285 Cb 0.00 -3.17 0.13 0.00 0.00 0.00 0.00 23.12 20.07 1i2d s ALA 285 CO 0.00 0.19 1.21 1.79 0.00 0.00 0.00 175.76 178.95 1i2d h THR 286 N 3.33 0.00 -4.04 0.00 1.35 -1.43 -3.39 112.91 108.73 1i2d h THR 286 Ca -0.45 -0.92 -0.13 0.00 -0.55 0.00 0.00 66.41 64.35 1i2d h THR 286 Cb 1.20 1.55 -0.17 0.00 -1.73 0.00 0.00 68.15 69.00 1i2d h THR 286 CO 0.68 0.00 -0.63 -1.00 -0.25 0.00 0.00 175.52 174.33 1i2d s HIS 287 N -3.30 0.35 -0.08 4.73 3.76 -0.47 -2.17 115.29 118.11 1i2d s HIS 287 Ca 0.02 -0.76 -0.04 0.00 -0.15 0.00 0.00 55.06 54.13 1i2d s HIS 287 Cb 0.09 -0.26 0.05 0.00 1.11 0.00 0.00 32.58 33.57 1i2d s HIS 287 CO 0.75 -0.34 0.18 0.12 -0.85 0.00 0.00 174.74 174.60 1i2d s PHE 288 N -2.98 -0.22 0.02 1.40 5.36 -0.41 -0.36 117.98 120.80 1i2d s PHE 288 Ca -0.02 0.62 -0.30 0.00 -0.96 0.00 0.00 56.93 56.27 1i2d s PHE 288 Cb 0.01 -0.12 -0.04 0.00 -0.34 0.00 0.00 43.02 42.53 1i2d s PHE 288 CO -0.06 -0.23 1.01 0.42 -1.46 0.00 0.00 175.22 174.89 1i2d s ILE 289 N 1.69 4.72 -0.11 3.12 1.01 -0.85 -1.28 121.20 129.51 1i2d s ILE 289 Ca -0.04 1.98 0.00 0.00 0.00 0.00 0.00 60.65 62.60 1i2d s ILE 289 Cb -0.12 -4.27 0.02 0.00 0.01 0.00 0.00 42.46 38.10 1i2d s ILE 289 CO -0.07 0.17 -0.10 -0.69 0.00 0.00 0.00 174.94 174.26 1i2d s VAL 290 N 0.89 1.14 0.00 2.92 1.01 -0.42 -4.63 120.40 121.31 1i2d s VAL 290 Ca 0.52 -0.39 0.00 0.00 0.00 0.00 0.00 61.98 62.11 1i2d s VAL 290 Cb -0.22 -1.11 0.00 0.00 0.00 0.00 0.00 36.38 35.04 1i2d s VAL 290 CO 0.28 0.38 0.00 0.61 0.00 0.00 0.00 175.10 176.37 1i2d n GLY 291 N 4.64 4.79 3.71 4.51 0.00 -1.26 -2.48 105.19 119.11 1i2d n GLY 291 Ca -0.16 -1.84 -0.42 0.00 0.00 0.00 0.00 46.02 43.60 1i2d n GLY 291 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1i2d s ARG 292 N 2.20 4.38 -1.69 1.61 3.52 -1.24 -3.56 118.95 124.17 1i2d s ARG 292 Ca 0.00 1.89 -0.01 0.00 -0.13 0.00 0.00 55.73 57.47 1i2d s ARG 292 Cb 0.00 -3.33 0.00 0.00 -1.56 0.00 0.00 34.95 30.06 1i2d s ARG 292 CO 0.00 -0.34 0.17 -0.25 -0.81 0.00 0.00 175.30 174.07 1i2d n ASP 293 N 4.04 -5.89 -4.58 -2.12 8.00 -1.26 -4.90 116.55 109.83 1i2d n ASP 293 Ca 0.10 -0.09 -0.49 0.00 0.71 0.00 0.00 54.79 55.02 1i2d n ASP 293 Cb 0.45 -4.85 -0.04 0.00 -0.02 0.00 0.00 41.12 36.66 1i2d n ASP 293 CO 0.00 0.00 0.00 1.57 -0.39 0.00 0.00 177.20 178.38 1i2d n HIS 294 N -4.16 1.36 -1.27 1.24 -0.00 -1.23 -0.63 115.22 110.53 1i2d n HIS 294 Ca -0.21 0.66 -0.09 0.00 -0.00 0.00 0.00 57.72 58.08 1i2d n HIS 294 Cb 0.67 -2.29 -0.04 0.00 -0.00 0.00 0.00 29.99 28.32 1i2d n HIS 294 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 1i2d n ALA 295 N 1.64 -0.14 -2.21 1.57 0.00 -1.26 -4.35 120.51 115.75 1i2d n ALA 295 Ca 0.15 0.15 -0.39 0.00 0.00 0.00 0.00 53.44 53.35 1i2d n ALA 295 Cb 0.24 -1.04 -0.06 0.00 0.00 0.00 0.00 19.45 18.59 1i2d n ALA 295 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1i2d s GLY 296 N -1.78 2.75 -0.36 0.00 0.00 0.20 -1.60 107.32 106.53 1i2d s GLY 296 Ca 0.00 0.15 0.02 0.00 0.00 0.00 0.00 44.72 44.89 1i2d s GLY 296 CO 0.00 0.64 1.73 -1.55 0.00 0.00 0.00 173.10 173.92 1i2d n PRO 297 N 1.82 1.97 0.00 2.90 -0.04 -1.26 -4.99 135.00 135.40 1i2d n PRO 297 Ca -0.08 -2.23 0.00 0.00 -0.04 0.00 0.00 63.50 61.15 1i2d n PRO 297 Cb 0.50 -1.87 0.00 0.00 -0.04 0.00 0.00 33.50 32.09 1i2d n PRO 297 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1i2d n GLY 298 N -0.63 0.84 3.21 0.55 0.00 -1.26 -4.89 105.19 103.01 1i2d n GLY 298 Ca 0.44 -0.72 -0.16 0.00 0.00 0.00 0.00 46.02 45.58 1i2d n GLY 298 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1i2d s SER 299 N -4.00 1.73 0.86 1.61 1.04 -1.26 -2.47 113.70 111.21 1i2d s SER 299 Ca 0.00 -0.82 0.00 0.00 0.48 0.00 0.00 55.95 55.61 1i2d s SER 299 Cb 0.00 -0.03 0.00 0.00 0.10 0.00 0.00 66.02 66.09 1i2d s SER 299 CO 0.00 -0.21 0.00 -0.46 0.98 0.00 0.00 173.24 173.55 1i2d n ASN 300 N 0.53 -0.11 -0.15 7.02 0.23 0.17 -4.89 115.26 118.06 1i2d n ASN 300 Ca -0.16 -0.80 -0.12 0.00 -0.53 0.00 0.00 54.58 52.97 1i2d n ASN 300 Cb 0.57 0.00 -0.01 0.00 -2.08 0.00 0.00 39.78 38.27 1i2d n ASN 300 CO 0.00 0.00 0.00 -1.28 -0.93 0.00 0.00 177.26 175.05 1i2d h SER 301 N -0.11 1.01 0.00 0.53 0.87 -1.98 -2.39 113.55 111.48 1i2d h SER 301 Ca 0.00 -0.41 0.00 0.00 -1.23 0.00 0.00 61.79 60.15 1i2d h SER 301 Cb 0.00 -0.28 0.00 0.00 -0.44 0.00 0.00 62.40 61.68 1i2d h SER 301 CO 0.00 1.20 0.00 0.29 -0.53 0.00 0.00 176.83 177.79 1i2d n LYS 302 N -4.12 0.72 -0.82 2.24 4.01 -1.26 -4.81 118.16 114.12 1i2d n LYS 302 Ca -0.01 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.79 1i2d n LYS 302 Cb 0.47 -1.18 0.00 0.00 -0.51 0.00 0.00 35.03 33.81 1i2d n LYS 302 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1i2d n GLY 303 N 0.18 0.58 3.71 0.72 0.00 -0.90 -5.00 105.19 104.48 1i2d n GLY 303 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 1i2d n GLY 303 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1i2d s GLU 304 N -0.42 4.45 -0.09 1.61 4.04 -1.26 -4.71 118.70 122.32 1i2d s GLU 304 Ca 0.00 1.08 -0.22 0.00 0.04 0.00 0.00 54.97 55.87 1i2d s GLU 304 Cb 0.00 -3.48 -0.04 0.00 0.02 0.00 0.00 34.13 30.64 1i2d s GLU 304 CO 0.00 -0.05 0.65 0.16 -1.84 0.00 0.00 175.26 174.18 1i2d s ASP 305 N 0.94 6.90 0.32 0.83 1.47 -1.26 0.44 116.67 126.31 1i2d s ASP 305 Ca 0.42 1.09 0.06 0.00 1.18 0.00 0.00 52.55 55.31 1i2d s ASP 305 Cb -0.19 -2.38 0.89 0.00 -0.34 0.00 0.00 42.92 40.91 1i2d s ASP 305 CO 0.20 -0.11 1.55 0.49 0.68 0.00 0.00 175.17 177.98 1i2d n PHE 306 N 3.88 0.76 -4.24 2.11 3.01 -1.03 -4.57 117.46 117.37 1i2d n PHE 306 Ca -0.02 1.18 -0.14 0.00 1.01 0.00 0.00 57.45 59.48 1i2d n PHE 306 Cb 0.51 -1.32 -0.10 0.00 -0.01 0.00 0.00 39.48 38.56 1i2d n PHE 306 CO 0.00 0.00 0.00 0.71 1.01 0.00 0.00 176.76 178.48 1i2d s TYR 307 N -5.87 1.21 0.53 1.38 1.51 -1.26 -4.99 117.35 109.86 1i2d s TYR 307 Ca -0.12 -0.87 -0.04 0.00 -1.01 0.00 0.00 57.07 55.03 1i2d s TYR 307 Cb 0.30 -0.66 -0.00 0.00 -0.11 0.00 0.00 41.96 41.49 1i2d s TYR 307 CO 0.77 -0.05 0.81 0.20 -1.11 0.00 0.00 175.55 176.17 1i2d s GLY 308 N -3.16 1.58 0.84 0.71 0.00 -1.26 -5.01 107.32 101.01 1i2d s GLY 308 Ca 0.19 -0.79 -0.10 0.00 0.00 0.00 0.00 44.72 44.02 1i2d s GLY 308 CO 0.01 -0.56 1.12 -4.14 0.00 0.00 0.00 173.10 169.53 1i2d s PRO 309 N -4.82 1.65 0.00 2.90 0.02 -1.26 -2.93 135.00 130.56 1i2d s PRO 309 Ca 0.51 1.33 0.00 0.00 0.02 0.00 0.00 61.00 62.87 1i2d s PRO 309 Cb -0.10 -1.82 0.00 0.00 0.02 0.00 0.00 34.50 32.60 1i2d s PRO 309 CO 0.43 -2.12 0.00 0.66 -0.33 0.00 0.00 177.00 175.64 1i2d n TYR 310 N -3.87 0.00 -0.22 6.54 4.02 -1.26 -4.75 117.16 117.62 1i2d n TYR 310 Ca 0.10 0.00 -0.08 0.00 -0.01 0.00 0.00 57.90 57.91 1i2d n TYR 310 Cb 0.53 -1.28 0.03 0.00 -0.02 0.00 0.00 39.34 38.59 1i2d n TYR 310 CO 0.00 0.00 0.00 -0.44 -1.01 0.00 0.00 176.86 175.41 1i2d h ASP 311 N 0.00 0.97 -0.05 7.72 5.19 -1.91 -2.14 116.42 126.21 1i2d h ASP 311 Ca 0.00 -0.26 -0.00 0.00 -0.62 0.00 0.00 57.03 56.15 1i2d h ASP 311 Cb 0.00 -0.26 -0.00 0.00 0.18 0.00 0.00 39.33 39.25 1i2d h ASP 311 CO 0.00 0.98 0.03 0.00 -3.12 0.00 0.00 179.24 177.12 1i2d h ALA 312 N 1.03 1.92 -0.22 3.45 0.00 -1.85 -0.38 119.26 123.20 1i2d h ALA 312 Ca 0.19 -0.02 -0.11 0.00 0.00 0.00 0.00 54.91 54.97 1i2d h ALA 312 Cb 0.41 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 1i2d h ALA 312 CO 0.01 0.07 -0.33 1.96 0.00 0.00 0.00 179.25 180.96 1i2d h GLN 313 N 0.09 0.46 0.05 0.00 4.20 -1.70 -1.43 115.11 116.79 1i2d h GLN 313 Ca 0.02 -0.20 -0.00 0.00 0.06 0.00 0.00 58.65 58.53 1i2d h GLN 313 Cb 0.02 -0.01 0.00 0.00 0.30 0.00 0.00 27.48 27.79 1i2d h GLN 313 CO -0.00 0.74 -0.02 0.45 -0.67 0.00 0.00 178.83 179.32 1i2d h HIS 314 N 0.40 -0.06 -0.21 2.96 3.86 -1.00 -2.38 115.15 118.72 1i2d h HIS 314 Ca 0.05 -0.00 0.04 0.00 -1.16 0.00 0.00 60.37 59.30 1i2d h HIS 314 Cb 0.77 0.02 -0.04 0.00 1.06 0.00 0.00 27.41 29.22 1i2d h HIS 314 CO 0.02 0.42 -0.03 0.00 0.86 0.00 0.00 177.93 179.21 1i2d h ALA 315 N 0.35 0.16 0.00 2.45 0.00 -1.05 0.14 119.26 121.31 1i2d h ALA 315 Ca -0.01 0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 1i2d h ALA 315 Cb 0.50 0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.42 1i2d h ALA 315 CO 0.01 -0.45 -0.05 -0.24 0.00 0.00 0.00 179.25 178.52 1i2d h VAL 316 N 0.03 0.32 -0.12 0.00 3.04 -1.32 -2.14 116.25 116.06 1i2d h VAL 316 Ca 0.10 -0.31 -0.16 0.00 -1.01 0.00 0.00 66.70 65.32 1i2d h VAL 316 Cb 0.14 1.23 0.01 0.00 -2.01 0.00 0.00 31.29 30.66 1i2d h VAL 316 CO -0.19 0.05 -0.57 -0.08 -1.01 0.00 0.00 177.57 175.77 1i2d h GLU 317 N 0.00 0.60 -1.22 4.17 4.57 -0.30 -3.15 114.58 119.25 1i2d h GLU 317 Ca -0.00 -0.48 0.35 0.00 -1.18 0.00 0.00 59.36 58.05 1i2d h GLU 317 Cb 0.22 0.10 -0.05 0.00 -0.16 0.00 0.00 28.75 28.86 1i2d h GLU 317 CO 0.01 1.10 0.87 -0.22 -1.18 0.00 0.00 179.01 179.59 1i2d h LYS 318 N 0.24 0.02 -0.31 1.92 1.63 -0.17 0.28 116.57 120.17 1i2d h LYS 318 Ca -0.04 -0.00 -0.11 0.00 -0.85 0.00 0.00 60.65 59.65 1i2d h LYS 318 Cb 1.21 -0.01 -0.07 0.00 -0.60 0.00 0.00 32.23 32.77 1i2d h LYS 318 CO 0.12 0.02 -0.03 0.66 -3.45 0.00 0.00 179.45 176.76 1i2d n TYR 319 N -4.20 1.02 -0.32 1.91 4.02 -1.19 -4.76 117.16 113.63 1i2d n TYR 319 Ca 0.27 -1.30 0.21 0.00 -0.01 0.00 0.00 57.90 57.07 1i2d n TYR 319 Cb 1.27 -0.42 0.41 0.00 -0.02 0.00 0.00 39.34 40.58 1i2d n TYR 319 CO 0.00 0.00 0.00 0.87 -1.01 0.00 0.00 176.86 176.72 1i2d h LYS 320 N 1.25 0.09 0.00 -0.72 1.57 -0.45 0.32 116.57 118.63 1i2d h LYS 320 Ca 0.13 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.91 1i2d h LYS 320 Cb 1.57 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 33.86 1i2d h LYS 320 CO 0.32 0.06 0.00 -0.44 -0.57 0.00 0.00 179.45 178.82 1i2d h ASP 321 N 0.09 0.00 0.00 0.86 3.32 -1.85 -3.34 116.42 115.50 1i2d h ASP 321 Ca 0.69 0.00 -0.08 0.00 0.02 0.00 0.00 57.03 57.66 1i2d h ASP 321 Cb 1.58 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 41.12 1i2d h ASP 321 CO -0.78 0.00 -1.77 -0.62 -1.72 0.00 0.00 179.24 174.35 1i2d n GLU 322 N -2.85 0.83 -2.99 3.56 1.02 0.99 -4.86 120.64 116.34 1i2d n GLU 322 Ca 0.03 -0.10 -0.42 0.00 -0.02 0.00 0.00 57.16 56.65 1i2d n GLU 322 Cb 0.41 -1.36 -0.05 0.00 -0.02 0.00 0.00 31.44 30.42 1i2d n GLU 322 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1i2d s LEU 323 N -4.34 4.13 -0.04 -4.62 1.43 -0.33 -4.91 118.68 109.99 1i2d s LEU 323 Ca -0.06 0.47 -0.05 0.00 -1.03 0.00 0.00 54.13 53.46 1i2d s LEU 323 Cb 0.08 -2.99 -0.18 0.00 0.03 0.00 0.00 46.19 43.12 1i2d s LEU 323 CO 0.61 -0.64 3.21 0.61 0.23 0.00 0.00 176.35 180.37 1i2d n GLY 324 N 4.40 3.01 3.38 -3.19 0.00 -1.26 -4.74 105.19 106.79 1i2d n GLY 324 Ca 0.02 -1.01 -0.10 0.00 0.00 0.00 0.00 46.02 44.93 1i2d n GLY 324 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1i2d s ILE 325 N 0.50 -0.01 -0.22 -0.61 2.07 -1.26 -4.88 121.20 116.79 1i2d s ILE 325 Ca 0.52 0.05 -0.29 0.00 -1.41 0.00 0.00 60.65 59.52 1i2d s ILE 325 Cb 0.26 -0.71 -0.00 0.00 0.13 0.00 0.00 42.46 42.13 1i2d s ILE 325 CO -0.02 0.02 1.21 -0.70 -1.91 0.00 0.00 174.94 173.54 1i2d s GLU 326 N 1.21 4.16 0.19 3.50 2.12 -0.92 -4.86 118.70 124.09 1i2d s GLU 326 Ca -0.08 1.46 -0.29 0.00 0.36 0.00 0.00 54.97 56.43 1i2d s GLU 326 Cb -0.07 -3.76 -0.08 0.00 0.26 0.00 0.00 34.13 30.49 1i2d s GLU 326 CO -0.12 -0.79 0.91 0.08 -0.54 0.00 0.00 175.26 174.81 1i2d s VAL 327 N 3.63 4.25 -0.27 3.70 1.01 -1.26 -1.28 120.40 130.18 1i2d s VAL 327 Ca 0.52 2.01 -0.03 0.00 0.00 0.00 0.00 61.98 64.48 1i2d s VAL 327 Cb -0.18 -4.29 0.03 0.00 0.00 0.00 0.00 36.38 31.93 1i2d s VAL 327 CO 0.14 0.45 -0.01 -0.69 0.00 0.00 0.00 175.10 174.99 1i2d s VAL 328 N -0.82 3.17 0.30 2.92 1.01 -0.40 -4.89 120.40 121.69 1i2d s VAL 328 Ca 0.42 -1.00 -0.05 0.00 0.00 0.00 0.00 61.98 61.35 1i2d s VAL 328 Cb -0.25 -2.65 -0.05 0.00 0.00 0.00 0.00 36.38 33.43 1i2d s VAL 328 CO 0.30 0.12 0.57 -1.61 0.00 0.00 0.00 175.10 174.47 1i2d s GLU 329 N 1.36 3.62 -0.07 2.72 2.02 -1.26 -1.31 118.70 125.79 1i2d s GLU 329 Ca -0.00 0.00 -0.11 0.00 0.02 0.00 0.00 54.97 54.88 1i2d s GLU 329 Cb -0.17 -2.63 0.02 0.00 0.10 0.00 0.00 34.13 31.45 1i2d s GLU 329 CO -0.02 0.19 0.28 -0.06 0.02 0.00 0.00 175.26 175.67 1i2d s PHE 330 N -2.13 -0.24 0.35 1.61 0.40 -1.03 -4.95 117.98 111.99 1i2d s PHE 330 Ca 0.44 0.53 0.04 0.00 -0.60 0.00 0.00 56.93 57.34 1i2d s PHE 330 Cb -0.11 0.09 -0.01 0.00 0.51 0.00 0.00 43.02 43.50 1i2d s PHE 330 CO 0.31 -0.24 0.52 -0.65 0.70 0.00 0.00 175.22 175.86 1i2d s GLN 331 N -0.45 3.18 -0.03 0.44 -1.52 -1.26 -3.72 119.66 116.29 1i2d s GLN 331 Ca -0.06 -0.77 -0.34 0.00 -1.95 0.00 0.00 55.36 52.24 1i2d s GLN 331 Cb -0.04 -2.74 -0.17 0.00 -0.22 0.00 0.00 33.01 29.84 1i2d s GLN 331 CO 0.02 0.03 0.93 -0.12 -0.25 0.00 0.00 175.29 175.89 1i2d n MET 332 N -1.74 0.00 -3.90 2.91 0.00 -1.26 -4.56 117.12 108.57 1i2d n MET 332 Ca -0.01 0.00 -0.36 0.00 -0.00 0.00 0.00 57.70 57.33 1i2d n MET 332 Cb 0.58 -1.26 -0.08 0.00 0.00 0.00 0.00 33.22 32.46 1i2d n MET 332 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 175.97 176.05 1i2d s VAL 333 N 0.19 5.25 0.32 1.12 1.01 -1.26 -0.70 120.40 126.32 1i2d s VAL 333 Ca 0.77 0.12 0.03 0.00 0.00 0.00 0.00 61.98 62.90 1i2d s VAL 333 Cb -1.08 -3.33 -0.05 0.00 0.00 0.00 0.00 36.38 31.92 1i2d s VAL 333 CO 0.49 0.53 0.10 0.42 0.00 0.00 0.00 175.10 176.65 1i2d s THR 334 N -0.34 0.71 -0.23 3.92 -4.23 0.05 -4.93 115.64 110.59 1i2d s THR 334 Ca 0.11 -2.00 -0.13 0.00 -1.18 0.00 0.00 61.69 58.49 1i2d s THR 334 Cb -0.12 -2.61 -0.05 0.00 1.34 0.00 0.00 72.50 71.07 1i2d s THR 334 CO 0.01 0.00 0.26 -0.47 -0.54 0.00 0.00 174.62 173.88 1i2d s TYR 335 N -3.48 3.32 -0.62 3.99 5.04 -1.18 -2.15 117.35 122.26 1i2d s TYR 335 Ca 0.34 0.35 -0.17 0.00 -2.44 0.00 0.00 57.07 55.16 1i2d s TYR 335 Cb 0.07 -2.39 0.14 0.00 0.35 0.00 0.00 41.96 40.13 1i2d s TYR 335 CO 0.15 -0.00 0.63 -0.51 -1.34 0.00 0.00 175.55 174.47 1i2d s LEU 336 N 1.29 6.04 0.14 6.97 1.43 0.15 -0.64 118.68 134.05 1i2d s LEU 336 Ca 0.12 -1.87 -0.19 0.00 -1.03 0.00 0.00 54.13 51.16 1i2d s LEU 336 Cb -0.14 -2.24 0.03 0.00 0.03 0.00 0.00 46.19 43.86 1i2d s LEU 336 CO 0.07 -0.89 1.69 -0.65 0.23 0.00 0.00 176.35 176.80 1i2d h PRO 337 N 8.77 0.01 -0.61 1.29 0.11 -1.84 0.57 132.00 140.29 1i2d h PRO 337 Ca -0.21 -0.00 0.08 0.00 0.11 0.00 0.00 66.00 65.98 1i2d h PRO 337 Cb 1.08 -0.00 -0.04 0.00 0.11 0.00 0.00 31.00 32.15 1i2d h PRO 337 CO 1.01 0.01 0.41 -0.44 -0.21 0.00 0.00 178.00 178.77 1i2d h ASP 338 N 0.02 0.44 0.00 -2.05 3.32 -1.93 -2.48 116.42 113.74 1i2d h ASP 338 Ca 0.14 0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.20 1i2d h ASP 338 Cb 0.21 -0.09 0.00 0.00 0.22 0.00 0.00 39.33 39.67 1i2d h ASP 338 CO -0.29 0.28 -1.62 0.41 -1.72 0.00 0.00 179.24 176.30 1i2d n THR 339 N -4.48 0.00 -3.02 0.35 -1.04 -1.09 -5.04 114.28 99.97 1i2d n THR 339 Ca 0.09 -0.34 -0.10 0.00 -2.04 0.00 0.00 64.05 61.66 1i2d n THR 339 Cb 0.31 0.32 0.01 0.00 -1.82 0.00 0.00 70.33 69.15 1i2d n THR 339 CO 0.00 0.00 0.00 -0.67 -0.64 0.00 0.00 175.07 173.76 1i2d n ASP 340 N -1.98 -7.51 -3.64 8.00 2.03 0.20 -5.04 116.55 108.61 1i2d n ASP 340 Ca -0.02 0.24 -0.05 0.00 0.52 0.00 0.00 54.79 55.48 1i2d n ASP 340 Cb 0.45 -4.80 -0.02 0.00 -0.72 0.00 0.00 41.12 36.03 1i2d n ASP 340 CO 0.00 0.00 0.00 -1.83 -1.92 0.00 0.00 177.20 173.45 1i2d s GLU 341 N -2.80 0.93 0.05 -0.67 -1.05 -1.12 -4.98 118.70 109.06 1i2d s GLU 341 Ca 0.19 -0.45 0.08 0.00 -0.15 0.00 0.00 54.97 54.64 1i2d s GLU 341 Cb -0.05 0.36 -0.03 0.00 -0.44 0.00 0.00 34.13 33.97 1i2d s GLU 341 CO 0.78 -0.42 -0.23 0.71 0.95 0.00 0.00 175.26 177.06 1i2d s TYR 342 N -3.09 1.98 0.21 4.83 1.51 -1.26 0.30 117.35 121.83 1i2d s TYR 342 Ca 0.09 -0.39 -0.23 0.00 -1.01 0.00 0.00 57.07 55.54 1i2d s TYR 342 Cb -0.01 -1.17 0.05 0.00 -0.11 0.00 0.00 41.96 40.72 1i2d s TYR 342 CO -0.03 0.12 0.72 -0.98 -1.11 0.00 0.00 175.55 174.27 1i2d s ARG 343 N -1.30 1.50 0.43 -0.62 1.70 -0.91 -4.95 118.95 114.79 1i2d s ARG 343 Ca 0.09 -0.74 -0.24 0.00 -0.47 0.00 0.00 55.73 54.37 1i2d s ARG 343 Cb -0.09 0.57 -0.08 0.00 -0.57 0.00 0.00 34.95 34.77 1i2d s ARG 343 CO 0.02 -0.68 1.15 -2.14 -1.08 0.00 0.00 175.30 172.58 1i2d s PRO 344 N -3.74 3.92 0.56 3.89 0.02 -1.26 -0.77 135.00 137.61 1i2d s PRO 344 Ca 0.08 1.77 0.33 0.00 0.02 0.00 0.00 61.00 63.20 1i2d s PRO 344 Cb -0.04 -2.52 1.47 0.00 0.02 0.00 0.00 34.50 33.43 1i2d s PRO 344 CO -0.01 -0.42 1.79 -0.39 -0.33 0.00 0.00 177.00 177.65 1i2d h VAL 345 N 2.08 0.38 0.00 3.83 -1.51 -1.16 0.29 116.25 120.17 1i2d h VAL 345 Ca -0.49 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 64.98 1i2d h VAL 345 Cb 1.24 0.44 0.00 0.00 -2.13 0.00 0.00 31.29 30.84 1i2d h VAL 345 CO 0.61 0.00 0.00 -0.90 -1.23 0.00 0.00 177.57 176.05 1i2d n ASP 346 N -3.99 0.00 -0.01 4.19 5.75 -1.26 -2.40 116.55 118.83 1i2d n ASP 346 Ca 0.20 -0.02 0.02 0.00 -0.01 0.00 0.00 54.79 54.98 1i2d n ASP 346 Cb 1.09 -0.25 -0.02 0.00 -1.03 0.00 0.00 41.12 40.92 1i2d n ASP 346 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1i2d n GLN 347 N -1.25 5.62 -2.26 0.11 6.02 0.10 -4.95 117.38 120.78 1i2d n GLN 347 Ca 0.08 -0.03 -0.43 0.00 -0.01 0.00 0.00 57.00 56.61 1i2d n GLN 347 Cb 0.12 -0.68 -0.02 0.00 1.02 0.00 0.00 30.24 30.68 1i2d n GLN 347 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 1i2d s VAL 348 N -1.28 3.93 0.94 5.09 1.01 -1.01 -4.97 120.40 124.12 1i2d s VAL 348 Ca 0.01 1.06 -0.11 0.00 0.00 0.00 0.00 61.98 62.94 1i2d s VAL 348 Cb 0.03 -3.90 0.16 0.00 0.00 0.00 0.00 36.38 32.67 1i2d s VAL 348 CO 0.13 -0.33 1.09 -2.84 0.00 0.00 0.00 175.10 173.16 1i2d s PRO 349 N 4.30 0.86 0.00 2.72 0.02 -1.26 -4.90 135.00 136.74 1i2d s PRO 349 Ca 0.64 1.09 0.00 0.00 0.02 0.00 0.00 61.00 62.75 1i2d s PRO 349 Cb -0.22 -1.74 0.00 0.00 0.02 0.00 0.00 34.50 32.56 1i2d s PRO 349 CO 0.25 -2.59 0.00 0.00 -0.33 0.00 0.00 177.00 174.33 1i2d n ALA 350 N -4.16 0.00 -2.14 -1.55 0.00 -1.26 -2.02 120.51 109.38 1i2d n ALA 350 Ca 0.08 0.00 -0.40 0.00 0.00 0.00 0.00 53.44 53.12 1i2d n ALA 350 Cb 0.54 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.99 1i2d n ALA 350 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1i2d n GLY 351 N 0.00 5.43 3.56 0.00 0.00 -1.26 -4.95 105.19 107.97 1i2d n GLY 351 Ca 0.00 -2.19 -0.36 0.00 0.00 0.00 0.00 46.02 43.47 1i2d n GLY 351 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1i2d s VAL 352 N -2.06 4.73 0.93 1.61 1.01 -0.86 -5.09 120.40 120.67 1i2d s VAL 352 Ca 0.50 -0.04 -0.11 0.00 0.00 0.00 0.00 61.98 62.34 1i2d s VAL 352 Cb 0.20 -3.19 0.15 0.00 0.00 0.00 0.00 36.38 33.54 1i2d s VAL 352 CO -0.11 0.37 1.11 -0.54 0.00 0.00 0.00 175.10 175.93 1i2d s LYS 353 N 1.11 0.94 0.20 2.72 -0.14 -1.26 -4.92 119.74 118.39 1i2d s LYS 353 Ca 0.05 1.27 -0.08 0.00 -1.36 0.00 0.00 55.97 55.86 1i2d s LYS 353 Cb -0.14 -1.74 -0.02 0.00 -1.68 0.00 0.00 37.83 34.25 1i2d s LYS 353 CO 0.04 -2.59 0.30 0.95 -0.76 0.00 0.00 175.35 173.28 1i2d s THR 354 N -2.70 0.03 -0.02 2.17 -4.23 -1.26 -4.31 115.64 105.32 1i2d s THR 354 Ca 0.66 -1.58 -0.12 0.00 -1.18 0.00 0.00 61.69 59.46 1i2d s THR 354 Cb -0.22 -2.15 0.02 0.00 1.34 0.00 0.00 72.50 71.49 1i2d s THR 354 CO 0.59 -0.13 0.26 -0.76 -0.54 0.00 0.00 174.62 174.04 1i2d s LEU 355 N -3.04 1.07 -0.27 4.79 1.43 0.18 -4.86 118.68 117.98 1i2d s LEU 355 Ca 0.25 0.04 -0.24 0.00 -1.03 0.00 0.00 54.13 53.15 1i2d s LEU 355 Cb 0.03 1.07 0.07 0.00 0.03 0.00 0.00 46.19 47.39 1i2d s LEU 355 CO 0.06 -0.39 0.73 0.21 0.23 0.00 0.00 176.35 177.19 1i2d s ASN 356 N -1.22 -0.76 -0.27 2.29 2.47 -1.26 -3.11 114.94 113.08 1i2d s ASN 356 Ca -0.13 1.42 -0.05 0.00 0.42 0.00 0.00 52.86 54.52 1i2d s ASN 356 Cb -0.06 1.43 0.01 0.00 -1.45 0.00 0.00 41.25 41.18 1i2d s ASN 356 CO 0.03 -0.24 0.03 -0.63 -3.72 0.00 0.00 177.10 172.57 1i2d s ILE 357 N 0.53 3.69 0.99 -5.21 1.01 -1.26 -5.11 121.20 115.84 1i2d s ILE 357 Ca -0.01 -0.70 -0.13 0.00 0.00 0.00 0.00 60.65 59.81 1i2d s ILE 357 Cb -0.05 -2.86 0.18 0.00 0.01 0.00 0.00 42.46 39.74 1i2d s ILE 357 CO -0.02 0.17 1.12 -0.94 0.00 0.00 0.00 174.94 175.26 1i2d s SER 358 N 1.47 2.76 0.23 3.58 1.04 -1.26 -4.82 113.70 116.70 1i2d s SER 358 Ca 0.03 1.02 -0.08 0.00 0.48 0.00 0.00 55.95 57.41 1i2d s SER 358 Cb -0.17 -1.61 0.23 0.00 0.10 0.00 0.00 66.02 64.57 1i2d s SER 358 CO 0.00 -3.03 1.91 1.23 0.98 0.00 0.00 173.24 174.33 1i2d h GLY 359 N -1.83 1.28 0.91 7.32 0.00 -1.99 -1.39 103.07 107.37 1i2d h GLY 359 Ca -0.52 -0.47 -0.05 0.00 0.00 0.00 0.00 47.33 46.28 1i2d h GLY 359 CO 0.57 0.46 0.01 -0.84 0.00 0.00 0.00 176.54 176.73 1i2d h THR 360 N 1.22 1.26 -0.72 4.70 2.02 -1.99 -1.50 112.91 117.89 1i2d h THR 360 Ca 0.34 -0.96 -0.03 0.00 0.77 0.00 0.00 66.41 66.53 1i2d h THR 360 Cb -0.12 1.20 -0.03 0.00 -1.74 0.00 0.00 68.15 67.45 1i2d h THR 360 CO -0.08 0.32 0.33 -0.08 0.37 0.00 0.00 175.52 176.38 1i2d h GLU 361 N 0.42 1.03 0.06 6.66 4.57 -1.85 0.31 114.58 125.77 1i2d h GLU 361 Ca 0.10 -0.15 -0.00 0.00 -1.18 0.00 0.00 59.36 58.13 1i2d h GLU 361 Cb 0.44 -0.19 0.00 0.00 -0.16 0.00 0.00 28.75 28.85 1i2d h GLU 361 CO 0.02 0.80 -0.03 1.25 -1.18 0.00 0.00 179.01 179.87 1i2d h LEU 362 N 1.02 -0.07 -1.61 1.64 5.85 -1.02 -1.51 115.31 119.62 1i2d h LEU 362 Ca 0.25 -0.21 0.01 0.00 0.84 0.00 0.00 57.88 58.77 1i2d h LEU 362 Cb 0.12 0.02 -0.02 0.00 0.37 0.00 0.00 40.66 41.15 1i2d h LEU 362 CO -0.03 0.17 0.28 0.03 -0.34 0.00 0.00 178.44 178.55 1i2d h ARG 363 N -0.31 0.52 -0.36 1.25 3.08 -1.05 0.17 114.38 117.69 1i2d h ARG 363 Ca -0.01 -0.03 -0.03 0.00 0.07 0.00 0.00 59.98 59.98 1i2d h ARG 363 Cb 0.27 -0.12 -0.01 0.00 0.08 0.00 0.00 29.97 30.19 1i2d h ARG 363 CO 0.01 0.35 0.11 -0.09 -1.07 0.00 0.00 179.97 179.28 1i2d h ARG 364 N 0.54 0.56 -0.29 0.04 2.43 -0.61 -0.42 114.38 116.63 1i2d h ARG 364 Ca 0.16 -0.12 -0.18 0.00 -0.81 0.00 0.00 59.98 59.03 1i2d h ARG 364 Cb -0.02 -0.08 -0.00 0.00 -0.42 0.00 0.00 29.97 29.45 1i2d h ARG 364 CO -0.04 0.58 -0.52 0.00 -1.51 0.00 0.00 179.97 178.49 1i2d h ARG 365 N 0.42 0.85 -0.71 0.20 3.08 -0.44 -1.24 114.38 116.54 1i2d h ARG 365 Ca 0.11 -0.52 -0.02 0.00 0.07 0.00 0.00 59.98 59.62 1i2d h ARG 365 Cb 0.26 0.05 -0.03 0.00 0.08 0.00 0.00 29.97 30.33 1i2d h ARG 365 CO -0.00 1.16 0.37 -0.07 -1.07 0.00 0.00 179.97 180.35 1i2d h LEU 366 N 0.66 0.91 -0.98 3.04 3.38 -0.55 0.32 115.31 122.09 1i2d h LEU 366 Ca 0.02 -0.11 -0.10 0.00 0.09 0.00 0.00 57.88 57.78 1i2d h LEU 366 Cb 1.12 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.63 1i2d h LEU 366 CO 0.12 0.76 -0.40 -0.09 0.09 0.00 0.00 178.44 178.92 1i2d h ARG 367 N 0.98 0.23 -0.01 1.13 2.43 -0.95 -3.15 114.38 115.04 1i2d h ARG 367 Ca 0.25 -0.10 0.00 0.00 -0.81 0.00 0.00 59.98 59.31 1i2d h ARG 367 Cb 0.07 -0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.62 1i2d h ARG 367 CO -0.04 0.59 -0.49 -1.13 -1.51 0.00 0.00 179.97 177.39 1i2d n SER 368 N -4.04 1.70 0.00 -3.80 3.41 -0.48 -1.00 113.62 109.41 1i2d n SER 368 Ca -0.01 -1.31 0.00 0.00 -0.26 0.00 0.00 58.87 57.28 1i2d n SER 368 Cb 0.46 0.46 0.00 0.00 -0.26 0.00 0.00 64.21 64.88 1i2d n SER 368 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1i2d n GLY 369 N 1.42 0.95 3.72 5.00 0.00 0.11 -4.97 105.19 111.42 1i2d n GLY 369 Ca 0.09 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.75 1i2d n GLY 369 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1i2d s ALA 370 N -3.80 2.23 0.55 4.61 0.00 -0.79 -4.96 121.76 119.58 1i2d s ALA 370 Ca 0.00 1.08 -0.21 0.00 0.00 0.00 0.00 51.96 52.83 1i2d s ALA 370 Cb 0.00 -3.53 -0.05 0.00 0.00 0.00 0.00 23.12 19.55 1i2d s ALA 370 CO 0.00 -1.77 1.32 -1.58 0.00 0.00 0.00 175.76 173.72 1i2d s HIS 371 N -1.64 2.35 -0.29 0.00 5.65 -1.26 -4.68 115.29 115.42 1i2d s HIS 371 Ca 0.79 1.42 0.01 0.00 0.25 0.00 0.00 55.06 57.53 1i2d s HIS 371 Cb -0.34 -3.71 0.08 0.00 -1.18 0.00 0.00 32.58 27.43 1i2d s HIS 371 CO 0.43 -2.67 0.03 0.42 -0.65 0.00 0.00 174.74 172.29 1i2d s ILE 372 N -1.36 1.48 0.19 0.89 1.01 -1.26 -5.01 121.20 117.14 1i2d s ILE 372 Ca 0.72 -1.56 -0.25 0.00 0.00 0.00 0.00 60.65 59.56 1i2d s ILE 372 Cb -0.38 -1.97 -0.15 0.00 0.01 0.00 0.00 42.46 39.97 1i2d s ILE 372 CO 0.44 -0.43 0.46 -2.65 0.00 0.00 0.00 174.94 172.76 1i2d n PRO 373 N 4.63 0.00 0.22 2.79 -0.02 -1.26 -4.83 135.00 136.53 1i2d n PRO 373 Ca -0.04 0.00 0.14 0.00 -2.02 0.00 0.00 63.50 61.58 1i2d n PRO 373 Cb 0.43 -0.90 0.41 0.00 -0.02 0.00 0.00 33.50 33.42 1i2d n PRO 373 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 1i2d h GLU 374 N 0.88 0.00 0.00 -0.52 5.08 -2.00 -2.26 114.58 115.77 1i2d h GLU 374 Ca -0.25 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.10 1i2d h GLU 374 Cb 1.30 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.55 1i2d h GLU 374 CO 0.51 0.00 -0.03 0.11 -1.00 0.00 0.00 179.01 178.60 1i2d h TRP 375 N 0.00 0.00 0.08 4.33 5.08 -2.02 -3.24 115.95 120.17 1i2d h TRP 375 Ca 0.00 0.00 -0.18 0.00 1.08 0.00 0.00 58.89 59.79 1i2d h TRP 375 Cb 0.74 0.00 -0.00 0.00 -3.00 0.00 0.00 29.16 26.90 1i2d h TRP 375 CO 0.00 0.03 -0.87 0.35 -1.28 0.00 0.00 178.44 176.66 1i2d h PHE 376 N 0.00 0.29 -2.56 0.12 3.57 -1.76 -3.44 116.94 113.15 1i2d h PHE 376 Ca -0.00 -0.21 -0.09 0.00 3.53 0.00 0.00 57.97 61.19 1i2d h PHE 376 Cb 0.56 -0.01 -0.21 0.00 2.79 0.00 0.00 35.95 39.08 1i2d h PHE 376 CO 0.00 1.34 -0.10 0.45 -2.23 0.00 0.00 178.31 177.77 1i2d s SER 377 N -6.79 -0.44 0.41 0.41 0.15 -1.14 -1.96 113.70 104.34 1i2d s SER 377 Ca -0.19 0.62 -0.26 0.00 0.70 0.00 0.00 55.95 56.82 1i2d s SER 377 Cb 0.02 0.66 -0.09 0.00 -1.71 0.00 0.00 66.02 64.90 1i2d s SER 377 CO 0.74 -0.38 1.31 -0.31 1.20 0.00 0.00 173.24 175.80 1i2d s TYR 378 N -0.65 2.80 0.25 3.44 1.51 -1.26 -4.40 117.35 119.05 1i2d s TYR 378 Ca -0.07 1.40 -0.09 0.00 -1.01 0.00 0.00 57.07 57.30 1i2d s TYR 378 Cb -0.03 -3.68 0.39 0.00 -0.11 0.00 0.00 41.96 38.53 1i2d s TYR 378 CO 0.04 -2.12 1.59 -1.35 -1.11 0.00 0.00 175.55 172.60 1i2d h PRO 379 N 2.65 0.01 -0.03 -1.71 0.11 -1.94 -0.73 132.00 130.35 1i2d h PRO 379 Ca -0.50 -0.00 -0.08 0.00 0.11 0.00 0.00 66.00 65.53 1i2d h PRO 379 Cb 1.25 -0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.34 1i2d h PRO 379 CO 0.62 0.00 -0.37 1.05 -0.21 0.00 0.00 178.00 179.09 1i2d h GLU 380 N 0.01 0.06 -0.08 1.05 9.09 -1.93 -1.00 114.58 121.78 1i2d h GLU 380 Ca 0.42 -0.02 -0.06 0.00 0.05 0.00 0.00 59.36 59.74 1i2d h GLU 380 Cb 0.66 -0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.76 1i2d h GLU 380 CO -0.86 0.43 -0.20 0.28 0.05 0.00 0.00 179.01 178.71 1i2d h VAL 381 N 0.05 1.41 -1.00 -1.06 2.07 -1.50 -2.72 116.25 113.51 1i2d h VAL 381 Ca 0.00 -1.53 0.02 0.00 0.82 0.00 0.00 66.70 66.02 1i2d h VAL 381 Cb 0.69 2.21 -0.05 0.00 -1.52 0.00 0.00 31.29 32.62 1i2d h VAL 381 CO 0.05 0.43 0.66 0.58 0.02 0.00 0.00 177.57 179.31 1i2d h VAL 382 N -0.21 1.21 -0.39 2.57 2.07 -1.15 -0.75 116.25 119.61 1i2d h VAL 382 Ca -0.00 -0.45 0.05 0.00 0.82 0.00 0.00 66.70 67.12 1i2d h VAL 382 Cb 0.80 -0.21 -0.04 0.00 -1.52 0.00 0.00 31.29 30.32 1i2d h VAL 382 CO 0.04 0.24 0.13 0.50 0.02 0.00 0.00 177.57 178.50 1i2d h LYS 383 N 1.31 0.28 -0.64 1.57 3.64 -1.14 -0.58 116.57 121.01 1i2d h LYS 383 Ca 0.38 -0.02 -0.02 0.00 -1.27 0.00 0.00 60.65 59.72 1i2d h LYS 383 Cb -0.08 -0.06 -0.03 0.00 -0.41 0.00 0.00 32.23 31.65 1i2d h LYS 383 CO -0.10 0.19 0.31 0.82 -2.27 0.00 0.00 179.45 178.39 1i2d h ILE 384 N 0.29 1.21 -0.29 2.00 2.04 -0.98 -2.23 117.51 119.55 1i2d h ILE 384 Ca 0.18 -0.58 -0.12 0.00 1.00 0.00 0.00 64.86 65.33 1i2d h ILE 384 Cb 0.16 0.39 -0.01 0.00 -0.74 0.00 0.00 36.82 36.62 1i2d h ILE 384 CO -0.18 0.25 -0.32 -0.07 0.00 0.00 0.00 178.15 177.82 1i2d h LEU 385 N 0.90 0.63 -1.05 1.44 3.38 -0.44 -2.77 115.31 117.40 1i2d h LEU 385 Ca 0.22 -0.25 -0.09 0.00 0.09 0.00 0.00 57.88 57.85 1i2d h LEU 385 Cb 0.09 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.66 1i2d h LEU 385 CO -0.03 0.91 -0.43 0.03 0.09 0.00 0.00 178.44 179.01 1i2d h ARG 386 N 0.52 0.00 -0.22 1.13 3.08 -0.61 -1.28 114.38 116.99 1i2d h ARG 386 Ca 0.06 0.00 -0.08 0.00 0.07 0.00 0.00 59.98 60.03 1i2d h ARG 386 Cb 0.80 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.84 1i2d h ARG 386 CO 0.07 0.43 -0.20 1.49 -1.07 0.00 0.00 179.97 180.69 1i2d h GLU 387 N 0.00 0.40 0.01 0.04 4.81 -1.14 -3.09 114.58 115.61 1i2d h GLU 387 Ca -0.00 -0.13 -0.27 0.00 -0.13 0.00 0.00 59.36 58.83 1i2d h GLU 387 Cb 0.85 -0.04 -0.04 0.00 0.63 0.00 0.00 28.75 30.15 1i2d h GLU 387 CO 0.06 0.58 -1.53 0.77 -0.73 0.00 0.00 179.01 178.16 1i2d h SER 388 N 0.36 0.04 -3.14 1.04 0.02 -1.31 -3.40 113.55 107.16 1i2d h SER 388 Ca 0.06 -0.07 -0.61 0.00 -0.84 0.00 0.00 61.79 60.33 1i2d h SER 388 Cb 0.55 -0.01 -0.40 0.00 0.14 0.00 0.00 62.40 62.68 1i2d h SER 388 CO 0.04 1.06 -0.72 0.20 -1.14 0.00 0.00 176.83 176.27 1i2d s ASN 389 N -6.34 3.64 0.73 3.07 0.01 -0.51 -5.10 114.94 110.43 1i2d s ASN 389 Ca -0.04 -3.25 -0.11 0.00 -0.71 0.00 0.00 52.86 48.75 1i2d s ASN 389 Cb 0.08 -1.18 0.03 0.00 0.41 0.00 0.00 41.25 40.60 1i2d s ASN 389 CO 0.82 -0.17 1.08 -2.84 -1.51 0.00 0.00 177.10 174.48 1i2d s PRO 390 N -0.48 2.58 0.79 -0.60 0.02 -1.17 -4.55 135.00 131.58 1i2d s PRO 390 Ca 0.24 1.09 -0.11 0.00 0.02 0.00 0.00 61.00 62.25 1i2d s PRO 390 Cb -0.10 -1.94 0.06 0.00 0.02 0.00 0.00 34.50 32.54 1i2d s PRO 390 CO -0.11 -1.38 1.09 -2.14 -0.33 0.00 0.00 177.00 174.12 1i2d s PRO 391 N -4.90 2.17 0.51 5.54 0.02 -1.22 -4.60 135.00 132.51 1i2d s PRO 391 Ca 0.60 1.01 0.26 0.00 0.02 0.00 0.00 61.00 62.89 1i2d s PRO 391 Cb -0.16 -1.90 1.36 0.00 0.02 0.00 0.00 34.50 33.82 1i2d s PRO 391 CO 0.54 -1.66 1.93 0.00 -0.33 0.00 0.00 177.00 177.49 1i2d h ARG 392 N -1.13 0.08 -0.24 5.54 2.47 -1.31 0.16 114.38 119.95 1i2d h ARG 392 Ca -0.45 -0.01 0.07 0.00 -1.26 0.00 0.00 59.98 58.33 1i2d h ARG 392 Cb 1.24 -0.02 -0.01 0.00 -1.65 0.00 0.00 29.97 29.53 1i2d h ARG 392 CO 0.54 0.06 0.30 0.00 0.56 0.00 0.00 179.97 181.43 1i2d h ALA 393 N 1.64 1.85 0.00 0.04 0.00 -1.74 -2.84 119.26 118.21 1i2d h ALA 393 Ca 0.35 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.25 1i2d h ALA 393 Cb 1.27 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.08 1i2d h ALA 393 CO -0.03 -0.43 0.00 0.25 0.00 0.00 0.00 179.25 179.04 1i2d n THR 394 N -3.64 0.49 -2.42 0.00 -2.24 0.52 -4.79 114.28 102.21 1i2d n THR 394 Ca 0.03 -0.63 -0.35 0.00 -2.27 0.00 0.00 64.05 60.83 1i2d n THR 394 Cb 0.44 0.84 -0.02 0.00 -2.10 0.00 0.00 70.33 69.48 1i2d n THR 394 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 1i2d s GLN 395 N -0.49 3.76 0.94 -0.78 -0.21 -1.02 -4.77 119.66 117.09 1i2d s GLN 395 Ca 0.00 1.54 -0.15 0.00 0.02 0.00 0.00 55.36 56.77 1i2d s GLN 395 Cb 0.00 -2.23 0.17 0.00 1.00 0.00 0.00 33.01 31.95 1i2d s GLN 395 CO 0.00 -0.49 1.25 0.20 -2.12 0.00 0.00 175.29 174.13 1i2d s GLY 396 N -1.71 1.70 0.14 3.09 0.00 -1.24 -4.81 107.32 104.48 1i2d s GLY 396 Ca 0.66 -0.98 -0.24 0.00 0.00 0.00 0.00 44.72 44.15 1i2d s GLY 396 CO 0.26 -0.29 0.75 -0.11 0.00 0.00 0.00 173.10 173.71 1i2d s PHE 397 N -3.69 -0.37 -0.06 1.90 -0.12 -0.30 -4.14 117.98 111.21 1i2d s PHE 397 Ca 0.70 0.12 0.05 0.00 -0.05 0.00 0.00 56.93 57.74 1i2d s PHE 397 Cb -0.07 0.59 -0.00 0.00 -0.63 0.00 0.00 43.02 42.91 1i2d s PHE 397 CO 0.52 -0.84 -0.20 0.99 -0.05 0.00 0.00 175.22 175.64 1i2d s THR 398 N -3.56 1.67 -0.31 -4.49 2.01 -0.11 -0.99 115.64 109.87 1i2d s THR 398 Ca 0.05 -0.84 -0.07 0.00 0.31 0.00 0.00 61.69 61.15 1i2d s THR 398 Cb -0.02 -1.44 0.02 0.00 0.01 0.00 0.00 72.50 71.07 1i2d s THR 398 CO -0.06 0.47 0.09 -0.63 -0.69 0.00 0.00 174.62 173.80 1i2d s ILE 399 N 0.08 3.91 -0.29 1.82 -1.09 0.24 -1.32 121.20 124.54 1i2d s ILE 399 Ca -0.07 -0.81 -0.10 0.00 -2.23 0.00 0.00 60.65 57.43 1i2d s ILE 399 Cb -0.13 -3.07 -0.03 0.00 -1.58 0.00 0.00 42.46 37.64 1i2d s ILE 399 CO 0.04 0.01 0.17 0.12 -1.23 0.00 0.00 174.94 174.05 1i2d s PHE 400 N 1.47 3.19 -0.14 3.97 5.36 0.72 -1.52 117.98 131.04 1i2d s PHE 400 Ca 0.01 -0.17 -0.04 0.00 -0.96 0.00 0.00 56.93 55.77 1i2d s PHE 400 Cb -0.18 -2.37 -0.03 0.00 -0.34 0.00 0.00 43.02 40.10 1i2d s PHE 400 CO 0.02 -0.29 0.01 -0.51 -1.46 0.00 0.00 175.22 173.00 1i2d s LEU 401 N 1.70 3.57 -0.01 6.12 1.43 0.50 0.08 118.68 132.06 1i2d s LEU 401 Ca 0.06 0.05 0.00 0.00 -1.03 0.00 0.00 54.13 53.22 1i2d s LEU 401 Cb -0.16 -1.86 0.01 0.00 0.03 0.00 0.00 46.19 44.21 1i2d s LEU 401 CO 0.09 0.26 -0.00 0.28 0.23 0.00 0.00 176.35 177.20 1i2d s THR 402 N -0.15 0.10 0.00 5.49 -1.32 -0.84 -3.18 115.64 115.73 1i2d s THR 402 Ca 0.05 0.01 0.00 0.00 -1.21 0.00 0.00 61.69 60.54 1i2d s THR 402 Cb -0.12 -0.13 0.00 0.00 -1.51 0.00 0.00 72.50 70.73 1i2d s THR 402 CO 0.02 0.06 0.00 0.61 -2.21 0.00 0.00 174.62 173.10 1i2d n GLY 403 N 3.44 -0.59 3.71 6.08 0.00 -1.17 -1.04 105.19 115.62 1i2d n GLY 403 Ca -0.18 -0.99 -0.31 0.00 0.00 0.00 0.00 46.02 44.55 1i2d n GLY 403 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1i2d s TYR 404 N -2.00 1.96 0.35 1.61 1.51 -1.26 -4.57 117.35 114.94 1i2d s TYR 404 Ca 0.00 1.70 -0.29 0.00 -1.01 0.00 0.00 57.07 57.47 1i2d s TYR 404 Cb 0.00 -3.24 -0.11 0.00 -0.11 0.00 0.00 41.96 38.50 1i2d s TYR 404 CO 0.00 -2.47 1.50 1.41 -1.11 0.00 0.00 175.55 174.89 1i2d s MET 405 N -4.74 4.13 -1.42 -0.62 -2.45 -1.26 -2.03 119.30 110.92 1i2d s MET 405 Ca 0.65 2.54 -0.03 0.00 -1.25 0.00 0.00 55.69 57.60 1i2d s MET 405 Cb -0.21 -2.99 0.00 0.00 1.25 0.00 0.00 34.83 32.88 1i2d s MET 405 CO 0.57 -0.54 0.45 -1.71 1.05 0.00 0.00 175.02 174.84 1i2d n ASN 406 N 1.03 -5.57 -0.38 1.11 5.15 -1.26 -4.82 115.26 110.51 1i2d n ASN 406 Ca 0.03 -0.21 0.13 0.00 -0.60 0.00 0.00 54.58 53.93 1i2d n ASN 406 Cb 0.39 -4.44 0.41 0.00 -0.53 0.00 0.00 39.78 35.61 1i2d n ASN 406 CO 0.00 0.00 0.00 -1.54 1.40 0.00 0.00 177.26 177.12 1i2d n SER 407 N -1.93 1.35 0.00 1.20 3.41 -0.86 -4.50 113.62 112.28 1i2d n SER 407 Ca -0.12 -1.22 0.00 0.00 -0.26 0.00 0.00 58.87 57.27 1i2d n SER 407 Cb 0.62 0.09 0.00 0.00 -0.26 0.00 0.00 64.21 64.65 1i2d n SER 407 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1i2d n GLY 408 N 1.27 0.36 0.34 5.00 0.00 -1.26 -4.38 105.19 106.52 1i2d n GLY 408 Ca 0.15 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.26 1i2d n GLY 408 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1i2d h LYS 409 N 3.84 0.50 -0.02 1.61 2.10 -1.90 0.34 116.57 123.04 1i2d h LYS 409 Ca 0.00 -0.03 -0.15 0.00 -2.00 0.00 0.00 60.65 58.47 1i2d h LYS 409 Cb 0.00 -0.11 -0.02 0.00 -0.90 0.00 0.00 32.23 31.20 1i2d h LYS 409 CO 0.00 0.33 -0.66 -0.44 -2.00 0.00 0.00 179.45 176.68 1i2d h ASP 410 N 0.51 0.11 0.13 7.07 5.19 -1.93 -1.08 116.42 126.43 1i2d h ASP 410 Ca 0.24 -0.07 -0.29 0.00 -0.62 0.00 0.00 57.03 56.29 1i2d h ASP 410 Cb 0.31 -0.03 0.03 0.00 0.18 0.00 0.00 39.33 39.82 1i2d h ASP 410 CO -0.07 0.74 -1.22 0.00 -3.12 0.00 0.00 179.24 175.57 1i2d h ALA 411 N 1.26 -0.03 -0.35 3.45 0.00 -1.76 -2.76 119.26 119.08 1i2d h ALA 411 Ca -0.01 -0.77 0.04 0.00 0.00 0.00 0.00 54.91 54.17 1i2d h ALA 411 Cb 1.17 0.12 -0.04 0.00 0.00 0.00 0.00 17.79 19.04 1i2d h ALA 411 CO 0.09 0.65 0.14 0.82 0.00 0.00 0.00 179.25 180.95 1i2d h ILE 412 N 0.21 0.92 -0.01 0.00 2.04 -0.92 -1.70 117.51 118.05 1i2d h ILE 412 Ca -0.19 -0.10 0.03 0.00 1.00 0.00 0.00 64.86 65.60 1i2d h ILE 412 Cb 1.90 0.61 -0.05 0.00 -0.74 0.00 0.00 36.82 38.54 1i2d h ILE 412 CO 0.23 0.05 -0.30 0.00 0.00 0.00 0.00 178.15 178.14 1i2d h ALA 413 N 1.21 -0.41 -0.87 1.87 0.00 -1.21 -0.11 119.26 119.74 1i2d h ALA 413 Ca 0.15 -0.01 0.04 0.00 0.00 0.00 0.00 54.91 55.09 1i2d h ALA 413 Cb 0.11 0.53 -0.05 0.00 0.00 0.00 0.00 17.79 18.38 1i2d h ALA 413 CO -0.14 -0.80 0.57 0.00 0.00 0.00 0.00 179.25 178.88 1i2d h ARG 414 N -0.44 1.04 -0.18 0.00 3.08 -1.29 -0.73 114.38 115.86 1i2d h ARG 414 Ca 0.07 -0.06 -0.03 0.00 0.07 0.00 0.00 59.98 60.02 1i2d h ARG 414 Cb 0.53 -0.24 -0.01 0.00 0.08 0.00 0.00 29.97 30.34 1i2d h ARG 414 CO -0.26 0.69 0.00 0.00 -1.07 0.00 0.00 179.97 179.33 1i2d h ALA 415 N 1.49 0.25 -0.89 0.04 0.00 -0.90 -1.76 119.26 117.49 1i2d h ALA 415 Ca 0.35 -0.20 0.03 0.00 0.00 0.00 0.00 54.91 55.09 1i2d h ALA 415 Cb 0.04 -0.07 -0.05 0.00 0.00 0.00 0.00 17.79 17.72 1i2d h ALA 415 CO -0.11 -0.04 0.58 1.25 0.00 0.00 0.00 179.25 180.93 1i2d h LEU 416 N 0.08 0.98 -0.26 0.00 5.85 -0.68 0.17 115.31 121.45 1i2d h LEU 416 Ca 0.05 -0.02 -0.01 0.00 0.84 0.00 0.00 57.88 58.75 1i2d h LEU 416 Cb 0.38 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 41.16 1i2d h LEU 416 CO 0.01 0.68 0.12 -0.61 -0.34 0.00 0.00 178.44 178.30 1i2d h GLN 417 N 1.14 0.38 -0.37 1.25 4.15 -0.84 -0.44 115.11 120.39 1i2d h GLN 417 Ca 0.34 -0.06 -0.02 0.00 0.77 0.00 0.00 58.65 59.68 1i2d h GLN 417 Cb -0.03 -0.07 -0.02 0.00 0.21 0.00 0.00 27.48 27.58 1i2d h GLN 417 CO -0.09 0.39 0.14 0.28 -1.93 0.00 0.00 178.83 177.61 1i2d h VAL 418 N 0.28 1.20 -0.59 2.39 2.07 -0.79 -1.28 116.25 119.53 1i2d h VAL 418 Ca 0.09 -0.62 0.07 0.00 0.82 0.00 0.00 66.70 67.06 1i2d h VAL 418 Cb 0.14 0.92 -0.06 0.00 -1.52 0.00 0.00 31.29 30.77 1i2d h VAL 418 CO -0.01 0.22 0.27 0.74 0.02 0.00 0.00 177.57 178.80 1i2d h THR 419 N 0.44 0.87 -0.17 2.57 2.02 -0.38 -1.11 112.91 117.14 1i2d h THR 419 Ca 0.12 -0.17 -0.11 0.00 0.77 0.00 0.00 66.41 67.02 1i2d h THR 419 Cb 0.21 0.33 -0.01 0.00 -1.74 0.00 0.00 68.15 66.94 1i2d h THR 419 CO -0.01 0.09 -0.39 -0.07 0.37 0.00 0.00 175.52 175.51 1i2d h LEU 420 N 0.49 0.39 -1.43 2.58 3.38 -0.96 -0.11 115.31 119.65 1i2d h LEU 420 Ca 0.28 -0.16 -0.06 0.00 0.09 0.00 0.00 57.88 58.03 1i2d h LEU 420 Cb 0.27 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.90 1i2d h LEU 420 CO -0.23 0.75 -0.28 0.78 0.09 0.00 0.00 178.44 179.54 1i2d h ASN 421 N 0.32 0.00 -0.06 -0.43 2.35 -0.39 -0.13 115.58 117.24 1i2d h ASN 421 Ca 0.03 0.00 -0.03 0.00 -0.55 0.00 0.00 56.30 55.75 1i2d h ASN 421 Cb 0.83 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 39.19 1i2d h ASN 421 CO 0.07 0.28 -0.08 -0.61 -1.65 0.00 0.00 177.43 175.44 1i2d h GLN 422 N 0.00 0.15 -0.94 0.81 4.15 -0.52 -3.15 115.11 115.61 1i2d h GLN 422 Ca -0.00 -0.09 0.19 0.00 0.77 0.00 0.00 58.65 59.51 1i2d h GLN 422 Cb 0.55 0.01 -0.11 0.00 0.21 0.00 0.00 27.48 28.14 1i2d h GLN 422 CO 0.04 0.64 0.53 0.37 -1.93 0.00 0.00 178.83 178.47 1i2d h GLN 423 N -0.32 0.64 0.00 1.69 5.75 -0.58 -3.47 115.11 118.82 1i2d h GLN 423 Ca 0.01 -0.04 0.00 0.00 -0.15 0.00 0.00 58.65 58.47 1i2d h GLN 423 Cb 0.62 -0.14 0.00 0.00 1.07 0.00 0.00 27.48 29.02 1i2d h GLN 423 CO 0.02 0.42 0.00 0.41 -2.65 0.00 0.00 178.83 177.03 1i2d n GLY 424 N -1.33 2.75 0.28 2.39 0.00 -0.10 -4.97 105.19 104.21 1i2d n GLY 424 Ca 0.22 -0.19 0.07 0.00 0.00 0.00 0.00 46.02 46.11 1i2d n GLY 424 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1i2d h GLY 425 N 0.00 0.94 -1.74 -0.02 0.00 -1.91 -3.46 103.07 96.87 1i2d h GLY 425 Ca 0.00 0.08 -0.49 0.00 0.00 0.00 0.00 47.33 46.92 1i2d h GLY 425 CO 0.00 -0.30 -0.50 1.09 0.00 0.00 0.00 176.54 176.83 1i2d s ARG 426 N -6.08 1.80 0.10 4.80 1.70 -1.26 -5.08 118.95 114.92 1i2d s ARG 426 Ca -0.13 -2.06 -0.31 0.00 -0.47 0.00 0.00 55.73 52.76 1i2d s ARG 426 Cb 0.23 0.01 -0.06 0.00 -0.57 0.00 0.00 34.95 34.56 1i2d s ARG 426 CO 0.76 -0.59 1.22 0.45 -1.08 0.00 0.00 175.30 176.06 1i2d s SER 427 N -3.44 7.05 -0.20 -2.89 0.15 -1.26 -4.86 113.70 108.24 1i2d s SER 427 Ca 0.35 2.11 -0.05 0.00 0.70 0.00 0.00 55.95 59.05 1i2d s SER 427 Cb 0.02 -2.59 -0.02 0.00 -1.71 0.00 0.00 66.02 61.73 1i2d s SER 427 CO 0.23 -0.47 -0.01 -0.69 1.20 0.00 0.00 173.24 173.50 1i2d s VAL 428 N 0.82 3.91 -0.20 4.45 1.01 -1.26 -1.19 120.40 127.93 1i2d s VAL 428 Ca 0.58 -0.33 -0.04 0.00 0.00 0.00 0.00 61.98 62.19 1i2d s VAL 428 Cb -0.31 -2.76 -0.02 0.00 0.00 0.00 0.00 36.38 33.29 1i2d s VAL 428 CO 0.31 0.43 -0.03 -0.44 0.00 0.00 0.00 175.10 175.37 1i2d s SER 429 N 0.99 4.49 -0.24 3.32 0.01 -0.35 -4.98 113.70 116.94 1i2d s SER 429 Ca 0.01 -0.31 -0.07 0.00 1.31 0.00 0.00 55.95 56.89 1i2d s SER 429 Cb -0.14 -1.76 -0.03 0.00 0.21 0.00 0.00 66.02 64.29 1i2d s SER 429 CO 0.02 0.03 0.07 -0.22 0.41 0.00 0.00 173.24 173.55 1i2d s LEU 430 N 1.18 3.46 -0.58 2.44 2.96 -1.26 -1.11 118.68 125.77 1i2d s LEU 430 Ca 0.02 -0.19 0.03 0.00 -0.22 0.00 0.00 54.13 53.78 1i2d s LEU 430 Cb -0.14 -1.93 0.14 0.00 0.50 0.00 0.00 46.19 44.76 1i2d s LEU 430 CO -0.00 -0.02 0.34 -0.76 -1.32 0.00 0.00 176.35 174.59 1i2d s LEU 431 N 1.53 4.58 0.29 -0.68 1.43 0.23 -4.99 118.68 121.06 1i2d s LEU 431 Ca 0.06 -3.15 -0.25 0.00 -1.03 0.00 0.00 54.13 49.77 1i2d s LEU 431 Cb -0.15 -1.68 -0.09 0.00 0.03 0.00 0.00 46.19 44.29 1i2d s LEU 431 CO 0.04 -0.23 0.88 -0.76 0.23 0.00 0.00 176.35 176.51 1i2d s LEU 432 N -0.48 4.37 0.23 1.79 1.43 -1.26 0.10 118.68 124.86 1i2d s LEU 432 Ca 0.19 1.73 -0.18 0.00 -1.03 0.00 0.00 54.13 54.83 1i2d s LEU 432 Cb -0.21 -3.85 0.23 0.00 0.03 0.00 0.00 46.19 42.39 1i2d s LEU 432 CO -0.03 -0.02 1.55 1.23 0.23 0.00 0.00 176.35 179.31 1i2d h GLY 433 N 3.34 0.05 1.75 -3.19 0.00 -0.55 0.36 103.07 104.82 1i2d h GLY 433 Ca -0.47 0.53 -0.05 0.00 0.00 0.00 0.00 47.33 47.33 1i2d h GLY 433 CO 0.65 -0.20 -0.12 -0.55 0.00 0.00 0.00 176.54 176.32 1i2d h ASP 434 N -0.01 0.29 -0.21 0.19 5.19 -1.93 -1.37 116.42 118.57 1i2d h ASP 434 Ca 0.34 -0.06 -0.11 0.00 -0.62 0.00 0.00 57.03 56.57 1i2d h ASP 434 Cb 0.59 -0.08 -0.00 0.00 0.18 0.00 0.00 39.33 40.02 1i2d h ASP 434 CO -0.98 0.45 -0.32 0.74 -3.12 0.00 0.00 179.24 176.01 1i2d h THR 435 N 0.29 1.33 0.08 0.35 2.02 -0.78 -0.91 112.91 115.30 1i2d h THR 435 Ca 0.06 -1.53 0.02 0.00 0.77 0.00 0.00 66.41 65.72 1i2d h THR 435 Cb 0.40 1.82 -0.03 0.00 -1.74 0.00 0.00 68.15 68.60 1i2d h THR 435 CO 0.02 0.47 -0.18 0.58 0.37 0.00 0.00 175.52 176.79 1i2d h VAL 436 N 0.26 0.59 -0.72 3.16 2.07 -0.72 0.63 116.25 121.52 1i2d h VAL 436 Ca 0.02 0.00 0.11 0.00 0.82 0.00 0.00 66.70 67.65 1i2d h VAL 436 Cb 0.90 0.59 -0.08 0.00 -1.52 0.00 0.00 31.29 31.18 1i2d h VAL 436 CO 0.07 0.00 0.33 0.03 0.02 0.00 0.00 177.57 178.02 1i2d h ARG 437 N -0.33 0.52 0.00 1.57 2.47 -1.20 0.89 114.38 118.31 1i2d h ARG 437 Ca 0.03 -0.03 -0.12 0.00 -1.26 0.00 0.00 59.98 58.60 1i2d h ARG 437 Cb 0.36 -0.12 0.01 0.00 -1.65 0.00 0.00 29.97 28.57 1i2d h ARG 437 CO -0.11 0.35 -0.47 1.25 0.56 0.00 0.00 179.97 181.55 1i2d h HIS 438 N 0.54 0.47 0.05 3.04 2.76 -0.67 0.10 115.15 121.44 1i2d h HIS 438 Ca 0.37 -0.26 -0.23 0.00 -2.20 0.00 0.00 60.37 58.05 1i2d h HIS 438 Cb 0.45 -0.05 -0.01 0.00 1.55 0.00 0.00 27.41 29.35 1i2d h HIS 438 CO -0.13 1.07 -1.06 0.93 -1.30 0.00 0.00 177.93 177.44 1i2d h GLU 439 N -0.27 0.12 0.00 5.26 4.39 0.67 -3.35 114.58 121.40 1i2d h GLU 439 Ca -0.06 -0.20 -0.05 0.00 0.34 0.00 0.00 59.36 59.40 1i2d h GLU 439 Cb 1.20 0.07 -0.01 0.00 -0.10 0.00 0.00 28.75 29.91 1i2d h GLU 439 CO 0.09 1.07 -1.18 1.28 -1.16 0.00 0.00 179.01 179.11 1i2d n LEU 440 N -3.47 1.01 -2.13 1.33 4.77 0.30 -4.83 117.00 113.99 1i2d n LEU 440 Ca -0.04 -0.01 -0.23 0.00 -0.03 0.00 0.00 56.01 55.71 1i2d n LEU 440 Cb 0.95 0.00 0.02 0.00 -2.33 0.00 0.00 43.42 42.06 1i2d n LEU 440 CO 0.49 0.23 0.17 -1.20 -1.33 0.00 0.00 177.39 175.76 1i2d n SER 441 N -2.27 4.72 0.30 -1.43 7.64 -0.72 -4.84 113.62 117.03 1i2d n SER 441 Ca -0.05 -3.66 0.19 0.00 1.01 0.00 0.00 58.87 56.36 1i2d n SER 441 Cb 0.58 -0.37 1.01 0.00 -1.01 0.00 0.00 64.21 64.42 1i2d n SER 441 CO 0.00 0.00 0.00 0.77 -3.01 0.00 0.00 175.04 172.80 1i2d h SER 442 N 2.26 0.00 -0.09 6.43 4.64 -0.93 -2.62 113.55 123.25 1i2d h SER 442 Ca 0.33 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.65 1i2d h SER 442 Cb 1.43 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.52 1i2d h SER 442 CO 0.75 0.00 0.00 -0.62 -0.87 0.00 0.00 176.83 176.09 1i2d n GLU 443 N -3.41 1.41 -2.06 4.77 -0.58 -1.26 -5.01 120.64 114.51 1i2d n GLU 443 Ca -0.02 -1.56 -0.28 0.00 -0.42 0.00 0.00 57.16 54.88 1i2d n GLU 443 Cb 0.17 -1.31 0.06 0.00 -0.57 0.00 0.00 31.44 29.79 1i2d n GLU 443 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 1i2d s LEU 444 N -1.25 2.83 0.00 -4.62 1.43 -0.99 -5.09 118.68 110.98 1i2d s LEU 444 Ca 0.20 0.80 0.00 0.00 -1.03 0.00 0.00 54.13 54.10 1i2d s LEU 444 Cb 0.14 -3.48 0.00 0.00 0.03 0.00 0.00 46.19 42.88 1i2d s LEU 444 CO 0.20 -1.51 0.00 0.61 0.23 0.00 0.00 176.35 175.88 1i2d n GLY 445 N -3.00 4.20 0.65 -3.19 0.00 -1.26 -5.06 105.19 97.52 1i2d n GLY 445 Ca 0.07 -1.82 0.06 0.00 0.00 0.00 0.00 46.02 44.33 1i2d n GLY 445 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1i2d n PHE 446 N 0.00 0.00 -2.54 1.61 3.01 -1.26 -4.40 117.46 113.88 1i2d n PHE 446 Ca 0.00 -1.05 -0.35 0.00 1.01 0.00 0.00 57.45 57.06 1i2d n PHE 446 Cb 0.00 -0.19 -0.04 0.00 -0.01 0.00 0.00 39.48 39.24 1i2d n PHE 446 CO 0.00 0.00 0.00 0.95 1.01 0.00 0.00 176.76 178.72 1i2d s THR 447 N -2.22 3.75 0.29 4.37 -4.23 -1.26 -4.76 115.64 111.58 1i2d s THR 447 Ca 0.32 1.19 -0.01 0.00 -1.18 0.00 0.00 61.69 62.01 1i2d s THR 447 Cb 0.32 -3.54 0.39 0.00 1.34 0.00 0.00 72.50 71.01 1i2d s THR 447 CO -0.06 -0.14 1.59 -0.09 -0.54 0.00 0.00 174.62 175.37 1i2d h ARG 448 N 1.92 0.03 -0.40 3.99 1.12 -1.99 0.79 114.38 119.84 1i2d h ARG 448 Ca -0.49 -0.00 -0.05 0.00 -1.11 0.00 0.00 59.98 58.33 1i2d h ARG 448 Cb 1.22 -0.01 -0.02 0.00 -0.01 0.00 0.00 29.97 31.16 1i2d h ARG 448 CO 0.60 0.02 0.06 0.93 -3.11 0.00 0.00 179.97 178.47 1i2d h GLU 449 N 0.03 0.67 -0.37 0.20 4.39 -1.99 -1.68 114.58 115.83 1i2d h GLU 449 Ca 0.55 -0.19 -0.07 0.00 0.34 0.00 0.00 59.36 60.00 1i2d h GLU 449 Cb 1.09 -0.08 -0.02 0.00 -0.10 0.00 0.00 28.75 29.65 1i2d h GLU 449 CO -0.87 0.73 -0.07 -0.44 -1.16 0.00 0.00 179.01 177.19 1i2d h ASP 450 N 0.52 0.61 0.10 1.42 5.19 -1.26 0.19 116.42 123.18 1i2d h ASP 450 Ca 0.12 -0.15 -0.00 0.00 -0.62 0.00 0.00 57.03 56.37 1i2d h ASP 450 Cb 0.39 -0.16 0.00 0.00 0.18 0.00 0.00 39.33 39.74 1i2d h ASP 450 CO 0.01 0.73 -0.05 0.03 -3.12 0.00 0.00 179.24 176.84 1i2d h ARG 451 N 0.58 -0.13 -0.86 3.56 3.08 -0.97 -1.73 114.38 117.92 1i2d h ARG 451 Ca 0.11 0.01 0.16 0.00 0.07 0.00 0.00 59.98 60.33 1i2d h ARG 451 Cb 0.48 0.03 -0.10 0.00 0.08 0.00 0.00 29.97 30.46 1i2d h ARG 451 CO 0.03 0.32 0.44 1.25 -1.07 0.00 0.00 179.97 180.93 1i2d h HIS 452 N -0.63 0.77 -0.25 3.04 2.76 -1.16 0.10 115.15 119.78 1i2d h HIS 452 Ca -0.01 0.04 0.00 0.00 -2.20 0.00 0.00 60.37 58.19 1i2d h HIS 452 Cb 0.50 -0.21 -0.01 0.00 1.55 0.00 0.00 27.41 29.24 1i2d h HIS 452 CO 0.08 0.15 0.16 1.15 -1.30 0.00 0.00 177.93 178.17 1i2d h THR 453 N 0.60 1.07 -0.05 6.26 2.02 -0.84 -2.19 112.91 119.78 1i2d h THR 453 Ca 0.48 -0.15 0.04 0.00 0.77 0.00 0.00 66.41 67.55 1i2d h THR 453 Cb 0.73 0.72 -0.05 0.00 -1.74 0.00 0.00 68.15 67.81 1i2d h THR 453 CO -0.39 0.07 -0.28 -1.13 0.37 0.00 0.00 175.52 174.16 1i2d h ASN 454 N 0.33 -0.85 -0.18 4.18 -0.00 0.07 -0.85 115.58 118.28 1i2d h ASN 454 Ca 0.09 0.12 0.05 0.00 -0.00 0.00 0.00 56.30 56.56 1i2d h ASN 454 Cb -0.02 0.35 -0.01 0.00 -0.00 0.00 0.00 38.32 38.64 1i2d h ASN 454 CO -0.02 -0.34 0.13 0.40 -0.00 0.00 0.00 177.43 177.60 1i2d h ILE 455 N -0.40 0.88 -0.24 2.57 1.08 -0.94 -0.10 117.51 120.37 1i2d h ILE 455 Ca 0.08 0.00 -0.20 0.00 -0.39 0.00 0.00 64.86 64.35 1i2d h ILE 455 Cb 0.51 0.91 0.00 0.00 -3.07 0.00 0.00 36.82 35.17 1i2d h ILE 455 CO -0.28 0.00 -0.63 1.56 -0.69 0.00 0.00 178.15 178.12 1i2d h GLN 456 N 0.00 0.83 -0.76 2.37 4.20 -0.61 -1.74 115.11 119.40 1i2d h GLN 456 Ca 0.08 -0.57 0.02 0.00 0.06 0.00 0.00 58.65 58.24 1i2d h GLN 456 Cb 0.34 0.09 -0.04 0.00 0.30 0.00 0.00 27.48 28.17 1i2d h GLN 456 CO -0.00 1.20 0.50 0.00 -0.67 0.00 0.00 178.83 179.86 1i2d h ARG 457 N 0.61 0.96 0.08 1.46 3.08 0.28 0.89 114.38 121.75 1i2d h ARG 457 Ca -0.01 -0.06 -0.00 0.00 0.07 0.00 0.00 59.98 59.98 1i2d h ARG 457 Cb 1.24 -0.22 0.00 0.00 0.08 0.00 0.00 29.97 31.07 1i2d h ARG 457 CO 0.13 0.64 -0.04 0.82 -1.07 0.00 0.00 179.97 180.45 1i2d h ILE 458 N 0.99 1.09 -0.70 2.04 2.04 -1.17 -2.81 117.51 119.00 1i2d h ILE 458 Ca 0.29 -0.66 0.11 0.00 1.00 0.00 0.00 64.86 65.60 1i2d h ILE 458 Cb -0.06 1.52 -0.05 0.00 -0.74 0.00 0.00 36.82 37.49 1i2d h ILE 458 CO -0.07 0.16 0.47 0.00 0.00 0.00 0.00 178.15 178.71 1i2d h ALA 459 N 0.47 1.96 -0.19 1.87 0.00 -0.46 0.20 119.26 123.10 1i2d h ALA 459 Ca -0.01 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.86 1i2d h ALA 459 Cb 0.35 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 1i2d h ALA 459 CO 0.02 -0.12 0.01 0.35 0.00 0.00 0.00 179.25 179.51 1i2d h PHE 460 N 0.51 0.36 -0.34 0.00 3.57 -0.75 -1.15 116.94 119.15 1i2d h PHE 460 Ca 0.33 -0.06 -0.14 0.00 3.53 0.00 0.00 57.97 61.63 1i2d h PHE 460 Cb 0.60 -0.10 -0.01 0.00 2.79 0.00 0.00 35.95 39.24 1i2d h PHE 460 CO -0.00 0.52 -0.33 0.28 -2.23 0.00 0.00 178.31 176.54 1i2d h VAL 461 N 0.11 1.29 -0.75 1.41 2.07 -1.11 -2.82 116.25 116.44 1i2d h VAL 461 Ca 0.06 -1.50 0.01 0.00 0.82 0.00 0.00 66.70 66.09 1i2d h VAL 461 Cb 0.36 1.48 -0.04 0.00 -1.52 0.00 0.00 31.29 31.58 1i2d h VAL 461 CO 0.01 0.49 0.49 0.00 0.02 0.00 0.00 177.57 178.58 1i2d h ALA 462 N 0.74 0.97 0.09 1.67 0.00 -0.59 -1.82 119.26 120.32 1i2d h ALA 462 Ca 0.05 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 1i2d h ALA 462 Cb 0.92 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 18.42 1i2d h ALA 462 CO 0.08 0.35 -0.04 1.15 0.00 0.00 0.00 179.25 180.78 1i2d h THR 463 N 1.00 0.99 -0.93 0.00 2.02 -1.18 0.24 112.91 115.05 1i2d h THR 463 Ca 0.28 -0.29 0.06 0.00 0.77 0.00 0.00 66.41 67.23 1i2d h THR 463 Cb -0.08 1.18 -0.06 0.00 -1.74 0.00 0.00 68.15 67.44 1i2d h THR 463 CO -0.07 0.07 0.59 -0.33 0.37 0.00 0.00 175.52 176.15 1i2d h GLU 464 N -0.26 1.04 -0.31 6.66 4.39 -1.26 -0.17 114.58 124.67 1i2d h GLU 464 Ca -0.01 -0.06 -0.08 0.00 0.34 0.00 0.00 59.36 59.55 1i2d h GLU 464 Cb 0.21 -0.23 -0.01 0.00 -0.10 0.00 0.00 28.75 28.62 1i2d h GLU 464 CO 0.02 0.69 -0.11 -0.07 -1.16 0.00 0.00 179.01 178.38 1i2d h LEU 465 N 1.07 0.63 -1.10 1.33 3.38 -1.12 -2.51 115.31 116.98 1i2d h LEU 465 Ca 0.40 -0.39 0.03 0.00 0.09 0.00 0.00 57.88 58.02 1i2d h LEU 465 Cb 0.17 -0.17 -0.05 0.00 0.09 0.00 0.00 40.66 40.70 1i2d h LEU 465 CO -0.17 0.87 0.61 0.74 0.09 0.00 0.00 178.44 180.58 1i2d h THR 466 N 0.38 1.18 0.00 0.22 2.02 0.20 0.11 112.91 117.01 1i2d h THR 466 Ca 0.07 -0.41 -0.03 0.00 0.77 0.00 0.00 66.41 66.81 1i2d h THR 466 Cb 0.62 -0.12 -0.00 0.00 -1.74 0.00 0.00 68.15 66.91 1i2d h THR 466 CO 0.04 0.22 -0.15 -0.09 0.37 0.00 0.00 175.52 175.90 1i2d h ARG 467 N 1.19 0.00 -0.35 6.66 2.43 -0.92 -0.79 114.38 122.59 1i2d h ARG 467 Ca 0.36 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.53 1i2d h ARG 467 Cb -0.02 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.53 1i2d h ARG 467 CO -0.10 0.15 0.00 0.00 -1.51 0.00 0.00 179.97 178.51 1i2d n ALA 468 N -2.38 2.45 -1.47 2.80 0.00 0.33 -4.92 120.51 117.32 1i2d n ALA 468 Ca -0.02 -0.69 -0.02 0.00 0.00 0.00 0.00 53.44 52.71 1i2d n ALA 468 Cb 0.24 -0.99 -0.01 0.00 0.00 0.00 0.00 19.45 18.70 1i2d n ALA 468 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1i2d n GLY 469 N 1.17 0.43 3.95 0.00 0.00 -0.30 -4.93 105.19 105.50 1i2d n GLY 469 Ca 0.15 -0.92 -0.25 0.00 0.00 0.00 0.00 46.02 45.00 1i2d n GLY 469 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1i2d s ALA 470 N -2.08 3.34 -0.29 4.61 0.00 -0.88 -4.00 121.76 122.47 1i2d s ALA 470 Ca 0.00 -1.18 -0.06 0.00 0.00 0.00 0.00 51.96 50.73 1i2d s ALA 470 Cb 0.00 -2.40 0.01 0.00 0.00 0.00 0.00 23.12 20.74 1i2d s ALA 470 CO 0.00 -1.30 0.05 0.00 0.00 0.00 0.00 175.76 174.51 1i2d s ALA 471 N -3.18 3.00 -0.17 0.00 0.00 -0.33 -1.15 121.76 119.93 1i2d s ALA 471 Ca 0.62 -1.46 -0.06 0.00 0.00 0.00 0.00 51.96 51.05 1i2d s ALA 471 Cb -0.09 -2.07 -0.04 0.00 0.00 0.00 0.00 23.12 20.93 1i2d s ALA 471 CO 0.44 -0.91 0.04 0.08 0.00 0.00 0.00 175.76 175.40 1i2d s VAL 472 N 1.46 4.57 -0.21 0.00 1.01 -0.16 -1.21 120.40 125.86 1i2d s VAL 472 Ca 0.02 -0.12 0.02 0.00 0.00 0.00 0.00 61.98 61.90 1i2d s VAL 472 Cb -0.17 -3.03 0.04 0.00 0.00 0.00 0.00 36.38 33.22 1i2d s VAL 472 CO 0.01 0.49 -0.12 -0.63 0.00 0.00 0.00 175.10 174.85 1i2d s ILE 473 N 0.20 1.87 -0.03 2.22 1.01 -0.27 0.79 121.20 126.99 1i2d s ILE 473 Ca 0.03 -1.19 0.07 0.00 0.00 0.00 0.00 60.65 59.56 1i2d s ILE 473 Cb -0.13 -1.91 -0.02 0.00 0.01 0.00 0.00 42.46 40.41 1i2d s ILE 473 CO 0.01 0.17 -0.25 0.00 0.00 0.00 0.00 174.94 174.87 1i2d s ALA 474 N 1.29 2.07 -0.41 9.38 0.00 -0.57 0.75 121.76 134.26 1i2d s ALA 474 Ca -0.03 -1.05 0.05 0.00 0.00 0.00 0.00 51.96 50.93 1i2d s ALA 474 Cb -0.17 -0.57 0.19 0.00 0.00 0.00 0.00 23.12 22.58 1i2d s ALA 474 CO -0.08 0.47 0.39 0.00 0.00 0.00 0.00 175.76 176.54 1i2d n ALA 475 N 2.63 2.77 -2.07 0.00 0.00 0.12 -0.37 120.51 123.58 1i2d n ALA 475 Ca -0.16 -3.22 -0.19 0.00 0.00 0.00 0.00 53.44 49.86 1i2d n ALA 475 Cb 0.52 -0.77 0.04 0.00 0.00 0.00 0.00 19.45 19.23 1i2d n ALA 475 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1i2d s PRO 476 N -0.31 2.46 0.00 0.00 0.04 -1.19 0.26 135.00 136.26 1i2d s PRO 476 Ca 0.33 -1.56 -0.25 0.00 0.04 0.00 0.00 61.00 59.57 1i2d s PRO 476 Cb 0.07 -2.62 -0.19 0.00 0.04 0.00 0.00 34.50 31.80 1i2d s PRO 476 CO -0.17 -0.64 1.35 0.82 0.04 0.00 0.00 177.00 178.40 1i2d h ILE 477 N 0.41 1.27 -6.02 0.56 2.04 -1.84 -3.39 117.51 110.54 1i2d h ILE 477 Ca -0.34 -0.90 -0.27 0.00 1.00 0.00 0.00 64.86 64.36 1i2d h ILE 477 Cb 1.29 1.87 0.03 0.00 -0.74 0.00 0.00 36.82 39.27 1i2d h ILE 477 CO 0.44 0.23 -0.61 0.00 0.00 0.00 0.00 178.15 178.22 1i2d n ALA 478 N -2.31 -2.62 0.09 1.87 0.00 -1.26 -3.04 120.51 113.25 1i2d n ALA 478 Ca -0.08 -0.14 -0.01 0.00 0.00 0.00 0.00 53.44 53.21 1i2d n ALA 478 Cb 0.21 -2.01 0.27 0.00 0.00 0.00 0.00 19.45 17.92 1i2d n ALA 478 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 1i2d h PRO 479 N -0.38 0.26 -5.15 0.00 0.11 -1.91 -3.45 132.00 121.48 1i2d h PRO 479 Ca -0.38 -0.10 -0.62 0.00 0.11 0.00 0.00 66.00 65.01 1i2d h PRO 479 Cb 1.23 -0.01 -0.16 0.00 0.11 0.00 0.00 31.00 32.16 1i2d h PRO 479 CO 0.37 0.55 -0.54 0.71 -0.21 0.00 0.00 178.00 178.88 1i2d s TYR 480 N -4.34 3.27 0.56 0.65 1.51 -1.26 0.96 117.35 118.69 1i2d s TYR 480 Ca -0.05 0.10 0.28 0.00 -1.01 0.00 0.00 57.07 56.40 1i2d s TYR 480 Cb 0.14 -2.19 1.47 0.00 -0.11 0.00 0.00 41.96 41.27 1i2d s TYR 480 CO 0.76 0.06 1.95 1.49 -1.11 0.00 0.00 175.55 178.71 1i2d h GLU 481 N 7.25 0.00 0.06 -0.62 4.57 -1.86 -1.65 114.58 122.33 1i2d h GLU 481 Ca -0.38 0.00 -0.00 0.00 -1.18 0.00 0.00 59.36 57.80 1i2d h GLU 481 Cb 1.17 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.76 1i2d h GLU 481 CO 0.67 0.00 -0.03 1.49 -1.18 0.00 0.00 179.01 179.96 1i2d h GLU 482 N 0.00 -0.08 -0.93 1.92 4.81 -1.98 -1.25 114.58 117.07 1i2d h GLU 482 Ca 0.25 0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.49 1i2d h GLU 482 Cb 1.14 0.02 -0.05 0.00 0.63 0.00 0.00 28.75 30.49 1i2d h GLU 482 CO -0.00 0.08 0.60 0.77 -0.73 0.00 0.00 179.01 179.72 1i2d h SER 483 N -0.23 1.08 -0.15 1.04 0.02 -1.68 -1.66 113.55 111.98 1i2d h SER 483 Ca -0.01 -0.04 -0.01 0.00 -0.84 0.00 0.00 61.79 60.89 1i2d h SER 483 Cb 0.20 -0.27 -0.01 0.00 0.14 0.00 0.00 62.40 62.46 1i2d h SER 483 CO 0.01 0.80 0.06 0.03 -1.14 0.00 0.00 176.83 176.60 1i2d h ARG 484 N 1.27 0.22 -0.34 3.45 3.08 -1.33 -1.10 114.38 119.63 1i2d h ARG 484 Ca 0.34 -0.04 -0.05 0.00 0.07 0.00 0.00 59.98 60.30 1i2d h ARG 484 Cb -0.11 -0.04 -0.02 0.00 0.08 0.00 0.00 29.97 29.88 1i2d h ARG 484 CO -0.07 0.30 0.00 -0.22 -1.07 0.00 0.00 179.97 178.91 1i2d h LYS 485 N 0.09 0.52 0.13 0.04 3.64 -1.06 0.03 116.57 119.97 1i2d h LYS 485 Ca 0.05 -0.11 -0.00 0.00 -1.27 0.00 0.00 60.65 59.32 1i2d h LYS 485 Cb 0.16 -0.08 -0.00 0.00 -0.41 0.00 0.00 32.23 31.90 1i2d h LYS 485 CO -0.00 0.55 -0.07 0.35 -2.27 0.00 0.00 179.45 178.00 1i2d h PHE 486 N 0.50 -0.18 -0.01 1.91 3.57 -0.95 -0.57 116.94 121.21 1i2d h PHE 486 Ca 0.11 -0.00 0.03 0.00 3.53 0.00 0.00 57.97 61.64 1i2d h PHE 486 Cb 0.32 0.06 -0.05 0.00 2.79 0.00 0.00 35.95 39.08 1i2d h PHE 486 CO 0.01 -0.11 -0.32 0.00 -2.23 0.00 0.00 178.31 175.66 1i2d h ALA 487 N 0.69 -0.45 -0.92 2.41 0.00 -0.62 -1.36 119.26 119.01 1i2d h ALA 487 Ca -0.01 -0.01 0.11 0.00 0.00 0.00 0.00 54.91 55.00 1i2d h ALA 487 Cb 0.15 0.56 -0.07 0.00 0.00 0.00 0.00 17.79 18.43 1i2d h ALA 487 CO 0.02 -0.83 0.59 -0.09 0.00 0.00 0.00 179.25 178.94 1i2d h ARG 488 N -0.46 0.84 -0.28 0.00 2.43 -0.83 -1.74 114.38 114.33 1i2d h ARG 488 Ca 0.06 -0.05 -0.14 0.00 -0.81 0.00 0.00 59.98 59.04 1i2d h ARG 488 Cb 0.55 -0.19 -0.00 0.00 -0.42 0.00 0.00 29.97 29.91 1i2d h ARG 488 CO -0.27 0.56 -0.37 -0.44 -1.51 0.00 0.00 179.97 177.93 1i2d h ASP 489 N 0.86 0.81 -0.17 -3.80 3.32 -0.31 -1.75 116.42 115.39 1i2d h ASP 489 Ca 0.44 -0.50 -0.01 0.00 0.02 0.00 0.00 57.03 56.98 1i2d h ASP 489 Cb 0.51 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 39.82 1i2d h ASP 489 CO -0.21 1.15 0.07 0.00 -1.72 0.00 0.00 179.24 178.53 1i2d h ALA 490 N 0.68 0.22 -0.53 3.45 0.00 -0.77 -3.07 119.26 119.23 1i2d h ALA 490 Ca 0.03 -0.10 -0.08 0.00 0.00 0.00 0.00 54.91 54.76 1i2d h ALA 490 Cb 0.96 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.66 1i2d h ALA 490 CO 0.09 -0.20 0.02 0.28 0.00 0.00 0.00 179.25 179.44 1i2d h VAL 491 N 0.12 1.26 0.00 0.00 2.07 -1.39 -2.61 116.25 115.69 1i2d h VAL 491 Ca 0.06 -1.06 0.00 0.00 0.82 0.00 0.00 66.70 66.51 1i2d h VAL 491 Cb 0.17 0.90 0.00 0.00 -1.52 0.00 0.00 31.29 30.83 1i2d h VAL 491 CO -0.00 0.38 0.13 0.28 0.02 0.00 0.00 177.57 178.38 1i2d h SER 492 N 0.80 0.00 0.55 0.57 0.02 -1.22 0.47 113.55 114.74 1i2d h SER 492 Ca 0.15 0.00 -0.13 0.00 -0.84 0.00 0.00 61.79 60.97 1i2d h SER 492 Cb 0.50 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.02 1i2d h SER 492 CO 0.02 0.00 -0.60 1.56 -1.14 0.00 0.00 176.83 176.67 1i2d h GLN 493 N 0.00 0.05 0.00 3.45 1.08 -1.41 -3.32 115.11 114.96 1i2d h GLN 493 Ca 0.00 -0.03 -0.01 0.00 -1.45 0.00 0.00 58.65 57.16 1i2d h GLN 493 Cb 0.27 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 27.70 1i2d h GLN 493 CO 0.00 0.63 -1.60 0.00 -0.95 0.00 0.00 178.83 176.91 1i2d n ALA 494 N -2.44 2.47 0.00 3.87 0.00 0.14 -5.10 120.51 119.45 1i2d n ALA 494 Ca -0.01 -0.32 0.00 0.00 0.00 0.00 0.00 53.44 53.10 1i2d n ALA 494 Cb 0.60 -0.44 0.00 0.00 0.00 0.00 0.00 19.45 19.61 1i2d n ALA 494 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1i2d n GLY 495 N 1.77 -1.04 3.78 0.00 0.00 -0.09 -4.51 105.19 105.09 1i2d n GLY 495 Ca -0.03 -0.85 -0.37 0.00 0.00 0.00 0.00 46.02 44.76 1i2d n GLY 495 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1i2d s SER 496 N -4.00 6.90 -0.06 1.61 0.01 -1.26 -3.53 113.70 113.37 1i2d s SER 496 Ca 0.00 2.07 0.03 0.00 1.31 0.00 0.00 55.95 59.36 1i2d s SER 496 Cb 0.00 -2.59 0.00 0.00 0.21 0.00 0.00 66.02 63.64 1i2d s SER 496 CO 0.00 -0.39 -0.16 0.12 0.41 0.00 0.00 173.24 173.22 1i2d s PHE 497 N -1.55 1.71 -0.09 2.43 5.36 -1.26 -0.93 117.98 123.64 1i2d s PHE 497 Ca 0.54 -0.58 0.02 0.00 -0.96 0.00 0.00 56.93 55.96 1i2d s PHE 497 Cb -0.24 -1.18 0.01 0.00 -0.34 0.00 0.00 43.02 41.27 1i2d s PHE 497 CO 0.30 -0.24 -0.15 -0.06 -1.46 0.00 0.00 175.22 173.61 1i2d s PHE 498 N 0.33 1.86 -0.26 10.12 0.40 -0.44 -4.98 117.98 125.01 1i2d s PHE 498 Ca -0.10 -0.81 -0.09 0.00 -0.60 0.00 0.00 56.93 55.33 1i2d s PHE 498 Cb -0.14 -1.34 -0.04 0.00 0.51 0.00 0.00 43.02 42.02 1i2d s PHE 498 CO 0.04 -0.41 0.12 -1.17 0.70 0.00 0.00 175.22 174.50 1i2d s LEU 499 N 0.85 3.70 -0.25 -0.37 2.96 -1.26 -0.20 118.68 124.11 1i2d s LEU 499 Ca -0.10 -0.11 -0.03 0.00 -0.22 0.00 0.00 54.13 53.67 1i2d s LEU 499 Cb -0.15 -2.01 0.01 0.00 0.50 0.00 0.00 46.19 44.54 1i2d s LEU 499 CO 0.01 -0.03 -0.03 -0.69 -1.32 0.00 0.00 176.35 174.29 1i2d s VAL 500 N 1.60 3.25 -0.48 1.68 1.01 0.11 -1.00 120.40 126.58 1i2d s VAL 500 Ca 0.06 -0.78 -0.20 0.00 0.00 0.00 0.00 61.98 61.07 1i2d s VAL 500 Cb -0.15 -2.60 0.04 0.00 0.00 0.00 0.00 36.38 33.67 1i2d s VAL 500 CO 0.06 0.25 0.63 -2.28 0.00 0.00 0.00 175.10 173.77 1i2d s HIS 501 N 1.41 3.05 -1.15 5.22 2.46 0.46 -1.99 115.29 124.75 1i2d s HIS 501 Ca 0.03 -0.34 -0.20 0.00 0.47 0.00 0.00 55.06 55.01 1i2d s HIS 501 Cb -0.16 -3.44 0.07 0.00 -0.13 0.00 0.00 32.58 28.92 1i2d s HIS 501 CO -0.03 -0.97 1.56 0.08 -2.47 0.00 0.00 174.74 172.92 1i2d s VAL 502 N 2.71 4.12 -0.11 0.89 1.01 -0.21 -1.32 120.40 127.49 1i2d s VAL 502 Ca 0.18 -1.44 0.00 0.00 0.00 0.00 0.00 61.98 60.72 1i2d s VAL 502 Cb -0.17 -5.10 0.00 0.00 0.00 0.00 0.00 36.38 31.11 1i2d s VAL 502 CO 0.15 -1.94 0.75 0.00 0.00 0.00 0.00 175.10 174.06 1i2d n ALA 503 N 8.35 2.29 -1.67 5.51 0.00 0.16 -4.38 120.51 130.77 1i2d n ALA 503 Ca 0.40 0.00 -0.44 0.00 0.00 0.00 0.00 53.44 53.40 1i2d n ALA 503 Cb 0.48 -1.00 -0.03 0.00 0.00 0.00 0.00 19.45 18.90 1i2d n ALA 503 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 1i2d n THR 504 N 0.55 0.66 -1.67 0.00 -1.04 -1.26 -4.85 114.28 106.68 1i2d n THR 504 Ca 0.00 -0.12 -0.44 0.00 -2.04 0.00 0.00 64.05 61.45 1i2d n THR 504 Cb 0.38 -2.18 -0.02 0.00 -1.82 0.00 0.00 70.33 66.68 1i2d n THR 504 CO 0.00 0.00 0.00 -2.65 -0.64 0.00 0.00 175.07 171.78 1i2d n PRO 505 N 7.02 2.02 -0.34 -2.82 -0.02 -1.26 -4.67 135.00 134.92 1i2d n PRO 505 Ca 0.20 0.71 0.23 0.00 -2.02 0.00 0.00 63.50 62.62 1i2d n PRO 505 Cb 0.38 -2.34 0.48 0.00 -0.02 0.00 0.00 33.50 31.99 1i2d n PRO 505 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 1i2d h LEU 506 N 3.74 0.51 0.48 2.45 5.85 -1.99 -1.64 115.31 124.72 1i2d h LEU 506 Ca -0.45 0.12 -0.02 0.00 0.84 0.00 0.00 57.88 58.37 1i2d h LEU 506 Cb 1.28 0.05 0.00 0.00 0.37 0.00 0.00 40.66 42.36 1i2d h LEU 506 CO 0.72 0.04 -0.25 -0.33 -0.34 0.00 0.00 178.44 178.28 1i2d h GLU 507 N 0.42 -0.65 -0.31 1.25 3.07 -1.99 0.19 114.58 116.57 1i2d h GLU 507 Ca 0.65 0.04 0.07 0.00 -0.50 0.00 0.00 59.36 59.62 1i2d h GLU 507 Cb 1.54 0.15 -0.07 0.00 -0.84 0.00 0.00 28.75 29.53 1i2d h GLU 507 CO -0.41 -0.43 -0.13 1.25 -1.40 0.00 0.00 179.01 177.89 1i2d h HIS 508 N -0.67 -0.31 -0.10 4.33 2.76 -1.69 0.25 115.15 119.71 1i2d h HIS 508 Ca -0.06 0.03 0.04 0.00 -2.20 0.00 0.00 60.37 58.17 1i2d h HIS 508 Cb 0.52 0.19 -0.04 0.00 1.55 0.00 0.00 27.41 29.63 1i2d h HIS 508 CO -0.05 -0.20 -0.13 0.00 -1.30 0.00 0.00 177.93 176.25 1i2d h GLU 510 N -0.16 0.45 0.00 0.00 4.81 -0.46 -2.72 114.58 116.49 1i2d h GLU 510 Ca 0.08 -0.07 -0.00 0.00 -0.13 0.00 0.00 59.36 59.24 1i2d h GLU 510 Cb 0.28 -0.08 -0.00 0.00 0.63 0.00 0.00 28.75 29.58 1i2d h GLU 510 CO -0.20 0.42 -0.01 1.96 -0.73 0.00 0.00 179.01 180.45 1i2d h GLN 511 N 0.37 0.00 -0.22 1.92 4.20 -0.24 -2.71 115.11 118.43 1i2d h GLN 511 Ca 0.11 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.82 1i2d h GLN 511 Cb 0.12 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.90 1i2d h GLN 511 CO -0.01 0.01 0.00 -1.13 -0.67 0.00 0.00 178.83 177.02 1i2d n SER 512 N -3.13 2.73 -4.59 1.46 3.41 -0.77 -4.95 113.62 107.79 1i2d n SER 512 Ca -0.02 -1.80 -0.42 0.00 -0.26 0.00 0.00 58.87 56.37 1i2d n SER 512 Cb 0.16 -0.14 -0.03 0.00 -0.26 0.00 0.00 64.21 63.95 1i2d n SER 512 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1i2d s ASP 513 N -1.19 5.56 0.00 4.04 2.15 -1.02 -4.82 116.67 121.38 1i2d s ASP 513 Ca 0.24 1.39 0.28 0.00 0.43 0.00 0.00 52.55 54.90 1i2d s ASP 513 Cb 0.15 -2.52 1.33 0.00 -0.30 0.00 0.00 42.92 41.58 1i2d s ASP 513 CO 0.21 -1.96 1.89 0.29 -0.17 0.00 0.00 175.17 175.43 1i2d n LYS 514 N 8.66 1.39 -0.07 4.34 5.02 -1.26 -3.71 118.16 132.53 1i2d n LYS 514 Ca 0.26 -0.57 0.09 0.00 -2.02 0.00 0.00 58.31 56.07 1i2d n LYS 514 Cb 0.47 -1.46 0.12 0.00 -0.02 0.00 0.00 35.03 34.14 1i2d n LYS 514 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1i2d n ARG 515 N -0.29 1.89 -3.14 1.97 1.74 -1.26 -4.98 116.66 112.58 1i2d n ARG 515 Ca 0.20 -1.81 -0.22 0.00 -0.77 0.00 0.00 57.85 55.25 1i2d n ARG 515 Cb 0.25 -1.38 0.01 0.00 -1.02 0.00 0.00 32.46 30.32 1i2d n ARG 515 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1i2d n GLY 516 N 1.08 -0.50 0.12 -0.13 0.00 -1.24 -4.86 105.19 99.65 1i2d n GLY 516 Ca 0.13 0.10 -0.21 0.00 0.00 0.00 0.00 46.02 46.04 1i2d n GLY 516 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1i2d h ILE 517 N -1.04 1.10 0.00 -0.61 2.04 -1.94 -2.75 117.51 114.31 1i2d h ILE 517 Ca -0.46 -2.36 -0.01 0.00 1.00 0.00 0.00 64.86 63.03 1i2d h ILE 517 Cb 1.31 2.71 -0.00 0.00 -0.74 0.00 0.00 36.82 40.10 1i2d h ILE 517 CO 0.53 0.63 -0.07 1.88 0.00 0.00 0.00 178.15 181.13 1i2d h TYR 518 N -0.49 0.00 0.41 1.37 -1.99 -1.92 -1.69 116.97 112.67 1i2d h TYR 518 Ca -0.28 0.00 -0.02 0.00 2.00 0.00 0.00 58.73 60.43 1i2d h TYR 518 Cb 1.61 0.00 0.00 0.00 2.00 0.00 0.00 36.73 40.34 1i2d h TYR 518 CO 0.14 0.07 -0.20 0.00 -0.00 0.00 0.00 178.16 178.17 1i2d h ALA 519 N 1.93 -0.56 -0.12 3.88 0.00 -1.93 -1.58 119.26 120.89 1i2d h ALA 519 Ca -0.00 -0.18 0.02 0.00 0.00 0.00 0.00 54.91 54.75 1i2d h ALA 519 Cb 0.16 0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 1i2d h ALA 519 CO 0.01 -0.68 0.08 0.00 0.00 0.00 0.00 179.25 178.67 1i2d h ALA 520 N -0.38 2.03 -0.21 0.00 0.00 -1.12 -1.34 119.26 118.24 1i2d h ALA 520 Ca -0.06 -0.01 -0.09 0.00 0.00 0.00 0.00 54.91 54.76 1i2d h ALA 520 Cb 0.55 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.32 1i2d h ALA 520 CO 0.09 -0.05 -0.21 0.00 0.00 0.00 0.00 179.25 179.08 1i2d h ALA 521 N 1.93 0.31 -0.33 0.00 0.00 -1.25 0.51 119.26 120.44 1i2d h ALA 521 Ca 0.05 -0.36 -0.02 0.00 0.00 0.00 0.00 54.91 54.59 1i2d h ALA 521 Cb 0.13 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 1i2d h ALA 521 CO -0.01 0.25 0.14 0.00 0.00 0.00 0.00 179.25 179.63 1i2d h ARG 522 N 0.20 0.46 -0.97 0.00 2.47 -0.25 -1.30 114.38 114.99 1i2d h ARG 522 Ca 0.03 -0.05 -0.60 0.00 -1.26 0.00 0.00 59.98 58.11 1i2d h ARG 522 Cb 0.75 -0.09 -0.30 0.00 -1.65 0.00 0.00 29.97 28.69 1i2d h ARG 522 CO 0.05 0.38 0.70 2.89 0.56 0.00 0.00 179.97 184.55 1i2d n ARG 523 N -4.41 2.52 -0.90 0.04 1.85 -0.61 -4.93 116.66 110.22 1i2d n ARG 523 Ca 0.02 -3.21 -0.05 0.00 -1.00 0.00 0.00 57.85 53.61 1i2d n ARG 523 Cb 0.13 -2.23 -0.02 0.00 -1.05 0.00 0.00 32.46 29.29 1i2d n ARG 523 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1i2d n GLY 524 N -1.01 0.49 0.22 2.89 0.00 -0.49 -4.82 105.19 102.47 1i2d n GLY 524 Ca 0.60 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.77 1i2d n GLY 524 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1i2d h GLU 525 N 0.00 0.00 -4.16 1.61 5.08 -0.17 -3.39 114.58 113.55 1i2d h GLU 525 Ca -0.10 0.00 -0.61 0.00 -1.00 0.00 0.00 59.36 57.65 1i2d h GLU 525 Cb 0.67 0.00 -0.39 0.00 0.50 0.00 0.00 28.75 29.53 1i2d h GLU 525 CO 0.15 0.00 -0.76 0.42 -1.00 0.00 0.00 179.01 177.82 1i2d s ILE 526 N -3.46 1.44 0.49 3.13 1.01 -1.10 -4.96 121.20 117.75 1i2d s ILE 526 Ca 0.04 -1.44 -0.20 0.00 0.00 0.00 0.00 60.65 59.04 1i2d s ILE 526 Cb 0.08 -1.88 -0.08 0.00 0.01 0.00 0.00 42.46 40.59 1i2d s ILE 526 CO 0.54 -0.35 1.06 -1.59 0.00 0.00 0.00 174.94 174.60 1i2d s LYS 527 N 1.39 3.73 -1.23 2.79 0.00 -1.26 -4.02 119.74 121.13 1i2d s LYS 527 Ca 0.02 1.43 -0.03 0.00 0.00 0.00 0.00 55.97 57.38 1i2d s LYS 527 Cb -0.18 -2.10 0.02 0.00 0.00 0.00 0.00 37.83 35.57 1i2d s LYS 527 CO -0.11 -0.50 0.23 0.41 0.00 0.00 0.00 175.35 175.37 1i2d n GLY 528 N -0.13 -0.50 3.69 0.59 0.00 -1.26 -4.93 105.19 102.65 1i2d n GLY 528 Ca 0.10 0.04 -0.42 0.00 0.00 0.00 0.00 46.02 45.74 1i2d n GLY 528 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1i2d s PHE 529 N -2.81 3.03 0.09 1.61 5.36 -1.26 -3.45 117.98 120.55 1i2d s PHE 529 Ca 0.16 1.01 -0.36 0.00 -0.96 0.00 0.00 56.93 56.79 1i2d s PHE 529 Cb -0.08 -3.55 -0.18 0.00 -0.34 0.00 0.00 43.02 38.88 1i2d s PHE 529 CO 0.20 -1.89 1.10 2.41 -1.46 0.00 0.00 175.22 175.57 1i2d n THR 530 N 4.61 0.48 0.00 0.12 -1.04 -1.26 -0.88 114.28 116.32 1i2d n THR 530 Ca 0.12 -0.12 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 1i2d n THR 530 Cb 0.45 -0.43 0.00 0.00 -1.82 0.00 0.00 70.33 68.52 1i2d n THR 530 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1i2d n GLY 531 N 1.95 2.79 0.14 3.41 0.00 -0.31 -4.70 105.19 108.46 1i2d n GLY 531 Ca 0.18 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.91 1i2d n GLY 531 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1i2d n VAL 532 N -0.29 1.53 0.00 1.61 0.31 -0.06 -4.96 118.33 116.48 1i2d n VAL 532 Ca 0.00 -0.40 0.00 0.00 -0.01 0.00 0.00 64.34 63.93 1i2d n VAL 532 Cb 0.00 -1.84 0.00 0.00 -0.91 0.00 0.00 33.84 31.09 1i2d n VAL 532 CO 0.00 0.00 0.00 0.47 -1.32 0.00 0.00 176.83 175.98 1i2d n ASP 533 N -4.17 0.00 -4.61 4.52 8.00 -0.10 -4.96 116.55 115.22 1i2d n ASP 533 Ca -0.54 0.00 -0.36 0.00 0.71 0.00 0.00 54.79 54.59 1i2d n ASP 533 Cb 0.90 -0.01 0.07 0.00 -0.02 0.00 0.00 41.12 42.06 1i2d n ASP 533 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 1i2d n ASP 534 N -1.81 0.58 -4.32 -2.24 9.92 -1.18 -4.92 116.55 112.58 1i2d n ASP 534 Ca 0.00 0.72 -0.28 0.00 -0.53 0.00 0.00 54.79 54.70 1i2d n ASP 534 Cb 0.00 -1.40 0.16 0.00 -0.64 0.00 0.00 41.12 39.24 1i2d n ASP 534 CO 0.00 0.00 0.00 -2.16 0.13 0.00 0.00 177.20 175.17 1i2d s PRO 535 N -3.11 0.99 -0.30 -0.24 0.04 -1.26 -1.16 135.00 129.96 1i2d s PRO 535 Ca 0.75 -0.58 -0.02 0.00 0.04 0.00 0.00 61.00 61.19 1i2d s PRO 535 Cb -0.37 -1.98 0.12 0.00 0.04 0.00 0.00 34.50 32.30 1i2d s PRO 535 CO 0.49 -2.11 0.22 -0.47 0.04 0.00 0.00 177.00 175.16 1i2d s TYR 536 N -3.67 0.02 -0.38 0.56 5.04 -1.26 -4.48 117.35 113.17 1i2d s TYR 536 Ca 0.71 -0.67 -0.28 0.00 -2.44 0.00 0.00 57.07 54.39 1i2d s TYR 536 Cb -0.05 -0.70 -0.01 0.00 0.35 0.00 0.00 41.96 41.55 1i2d s TYR 536 CO 0.50 -0.87 1.69 -1.21 -1.34 0.00 0.00 175.55 174.32 1i2d s GLU 537 N 2.07 3.34 0.22 4.97 2.02 0.27 -4.93 118.70 126.67 1i2d s GLU 537 Ca 0.10 1.21 -0.32 0.00 0.02 0.00 0.00 54.97 55.99 1i2d s GLU 537 Cb -0.16 -4.16 -0.12 0.00 0.10 0.00 0.00 34.13 29.79 1i2d s GLU 537 CO -0.30 -1.85 1.68 0.99 0.02 0.00 0.00 175.26 175.80 1i2d s THR 538 N 6.64 2.10 0.27 3.63 2.01 -1.26 -4.56 115.64 124.46 1i2d s THR 538 Ca 0.73 0.07 -0.30 0.00 0.31 0.00 0.00 61.69 62.50 1i2d s THR 538 Cb -0.19 -3.05 -0.11 0.00 0.01 0.00 0.00 72.50 69.16 1i2d s THR 538 CO 0.32 0.01 1.58 -2.84 -0.69 0.00 0.00 174.62 173.00 1i2d s PRO 539 N 0.83 4.15 -0.18 4.92 0.02 -1.26 -4.95 135.00 138.53 1i2d s PRO 539 Ca 0.72 2.52 -0.22 0.00 0.02 0.00 0.00 61.00 64.04 1i2d s PRO 539 Cb -0.49 -3.05 -0.22 0.00 0.02 0.00 0.00 34.50 30.76 1i2d s PRO 539 CO 0.35 -0.61 0.37 0.93 -0.33 0.00 0.00 177.00 177.71 1i2d h GLU 540 N 5.26 0.04 -2.72 5.54 4.39 -2.02 -3.43 114.58 121.64 1i2d h GLU 540 Ca -0.46 -0.07 -0.61 0.00 0.34 0.00 0.00 59.36 58.57 1i2d h GLU 540 Cb 1.22 0.02 -0.41 0.00 -0.10 0.00 0.00 28.75 29.48 1i2d h GLU 540 CO 0.82 1.03 -0.72 0.36 -1.16 0.00 0.00 179.01 179.34 1i2d n LYS 541 N -4.37 1.37 -2.49 2.33 0.00 -1.26 -5.10 118.16 108.64 1i2d n LYS 541 Ca -0.27 -4.06 -0.26 0.00 -0.00 0.00 0.00 58.31 53.72 1i2d n LYS 541 Cb 0.68 -2.05 0.03 0.00 -0.00 0.00 0.00 35.03 33.69 1i2d n LYS 541 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1i2d s ALA 542 N -1.13 3.38 -0.25 0.58 0.00 -1.26 -4.98 121.76 118.10 1i2d s ALA 542 Ca 0.29 -0.74 0.18 0.00 0.00 0.00 0.00 51.96 51.69 1i2d s ALA 542 Cb 0.01 -2.53 0.21 0.00 0.00 0.00 0.00 23.12 20.81 1i2d s ALA 542 CO -0.16 -0.71 1.52 -0.44 0.00 0.00 0.00 175.76 175.97 1i2d h ASP 543 N -0.07 0.00 -3.36 0.00 3.32 -1.45 -3.46 116.42 111.41 1i2d h ASP 543 Ca -0.46 0.00 0.01 0.00 0.02 0.00 0.00 57.03 56.60 1i2d h ASP 543 Cb 1.25 0.00 -0.22 0.00 0.22 0.00 0.00 39.33 40.58 1i2d h ASP 543 CO 0.60 0.30 0.13 -0.22 -1.72 0.00 0.00 179.24 178.33 1i2d s LEU 544 N -6.38 -0.79 -0.12 1.55 2.96 -1.05 -5.00 118.68 109.85 1i2d s LEU 544 Ca 0.05 1.37 0.03 0.00 -0.22 0.00 0.00 54.13 55.36 1i2d s LEU 544 Cb 0.07 2.32 -0.00 0.00 0.50 0.00 0.00 46.19 49.07 1i2d s LEU 544 CO 0.71 -0.23 -0.21 -0.69 -1.32 0.00 0.00 176.35 174.62 1i2d s VAL 545 N 1.01 2.28 0.20 1.68 1.01 -1.26 -0.40 120.40 124.91 1i2d s VAL 545 Ca -0.05 -0.93 0.03 0.00 0.00 0.00 0.00 61.98 61.03 1i2d s VAL 545 Cb -0.05 -1.90 -0.05 0.00 0.00 0.00 0.00 36.38 34.38 1i2d s VAL 545 CO -0.10 0.55 -0.00 0.68 0.00 0.00 0.00 175.10 176.22 1i2d s VAL 546 N 0.46 0.82 -0.14 2.92 -7.23 -0.44 -4.98 120.40 111.82 1i2d s VAL 546 Ca -0.14 -2.01 -0.04 0.00 -1.81 0.00 0.00 61.98 57.98 1i2d s VAL 546 Cb -0.17 -2.21 0.06 0.00 0.56 0.00 0.00 36.38 34.62 1i2d s VAL 546 CO 0.06 -0.41 0.12 -0.62 -0.31 0.00 0.00 175.10 173.93 1i2d s ASP 547 N -3.23 1.75 0.00 4.85 2.15 -1.26 0.38 116.67 121.31 1i2d s ASP 547 Ca 0.26 -0.30 0.12 0.00 0.43 0.00 0.00 52.55 53.06 1i2d s ASP 547 Cb 0.06 -0.05 0.67 0.00 -0.30 0.00 0.00 42.92 43.30 1i2d s ASP 547 CO 0.06 -0.31 1.18 0.33 -0.17 0.00 0.00 175.17 176.26 1i2d n PHE 548 N 5.30 0.00 0.04 -5.34 7.35 -1.26 -0.22 117.46 123.33 1i2d n PHE 548 Ca -0.06 0.00 -0.20 0.00 -0.76 0.00 0.00 57.45 56.44 1i2d n PHE 548 Cb 0.49 -0.09 -0.14 0.00 0.35 0.00 0.00 39.48 40.09 1i2d n PHE 548 CO 0.00 0.00 0.00 0.77 -0.76 0.00 0.00 176.76 176.77 1i2d h SER 549 N 0.00 0.44 0.00 -2.13 0.02 -1.94 -3.41 113.55 106.53 1i2d h SER 549 Ca 0.00 -0.75 -0.04 0.00 -0.84 0.00 0.00 61.79 60.15 1i2d h SER 549 Cb 0.03 -0.14 -0.01 0.00 0.14 0.00 0.00 62.40 62.42 1i2d h SER 549 CO 0.00 1.65 -1.70 0.29 -1.14 0.00 0.00 176.83 175.93 1i2d n LYS 550 N -3.47 0.69 -4.42 3.45 5.02 -0.60 -5.02 118.16 113.80 1i2d n LYS 550 Ca -0.24 -0.11 -0.22 0.00 -2.02 0.00 0.00 58.31 55.72 1i2d n LYS 550 Cb 1.06 -1.34 -0.10 0.00 -0.02 0.00 0.00 35.03 34.63 1i2d n LYS 550 CO 0.00 0.00 0.00 -0.65 -0.52 0.00 0.00 177.40 176.23 1i2d s GLN 551 N -2.87 1.53 0.25 1.97 -0.21 0.70 -5.05 119.66 115.98 1i2d s GLN 551 Ca -0.05 -1.72 0.05 0.00 0.02 0.00 0.00 55.36 53.66 1i2d s GLN 551 Cb 0.08 -1.39 -0.03 0.00 1.00 0.00 0.00 33.01 32.68 1i2d s GLN 551 CO 0.59 0.19 0.36 -1.54 -2.12 0.00 0.00 175.29 172.77 1i2d s SER 552 N -3.43 6.24 0.18 5.90 1.04 -1.26 -4.27 113.70 118.10 1i2d s SER 552 Ca 0.27 0.03 -0.20 0.00 0.48 0.00 0.00 55.95 56.53 1i2d s SER 552 Cb -0.01 -1.77 0.11 0.00 0.10 0.00 0.00 66.02 64.45 1i2d s SER 552 CO 0.11 -0.10 1.61 0.58 0.98 0.00 0.00 173.24 176.42 1i2d h VAL 553 N 1.16 0.29 -0.73 5.02 2.07 -1.96 -0.47 116.25 121.62 1i2d h VAL 553 Ca -0.51 0.00 0.16 0.00 0.82 0.00 0.00 66.70 67.17 1i2d h VAL 553 Cb 1.23 0.29 -0.11 0.00 -1.52 0.00 0.00 31.29 31.18 1i2d h VAL 553 CO 0.60 0.00 0.19 -0.09 0.02 0.00 0.00 177.57 178.29 1i2d h ARG 554 N -0.17 0.28 0.00 1.57 2.43 -1.98 0.99 114.38 117.50 1i2d h ARG 554 Ca 0.21 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.36 1i2d h ARG 554 Cb 0.50 -0.06 0.00 0.00 -0.42 0.00 0.00 29.97 29.99 1i2d h ARG 554 CO -0.56 0.18 -0.34 0.66 -1.51 0.00 0.00 179.97 178.41 1i2d h SER 555 N 0.29 0.00 -0.12 -3.80 4.64 -1.63 -1.44 113.55 111.48 1i2d h SER 555 Ca 0.41 -0.04 -0.08 0.00 -0.47 0.00 0.00 61.79 61.62 1i2d h SER 555 Cb 0.70 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.79 1i2d h SER 555 CO -0.50 0.02 -0.24 0.40 -0.87 0.00 0.00 176.83 175.64 1i2d h ILE 556 N 0.00 1.38 -0.94 0.95 2.04 -0.04 -0.36 117.51 120.54 1i2d h ILE 556 Ca 0.00 -1.51 0.03 0.00 1.00 0.00 0.00 64.86 64.38 1i2d h ILE 556 Cb 0.90 2.05 -0.05 0.00 -0.74 0.00 0.00 36.82 38.98 1i2d h ILE 556 CO 0.00 0.44 0.62 0.58 0.00 0.00 0.00 178.15 179.79 1i2d h VAL 557 N -0.03 1.18 -0.40 1.67 2.07 -0.79 -0.87 116.25 119.09 1i2d h VAL 557 Ca 0.00 -0.41 -0.06 0.00 0.82 0.00 0.00 66.70 67.05 1i2d h VAL 557 Cb 0.83 -0.13 -0.02 0.00 -1.52 0.00 0.00 31.29 30.45 1i2d h VAL 557 CO 0.05 0.22 -0.02 -0.74 0.02 0.00 0.00 177.57 177.11 1i2d h HIS 558 N 1.21 0.68 -0.26 1.57 -0.00 -0.98 -1.30 115.15 116.06 1i2d h HIS 558 Ca 0.36 -0.08 -0.17 0.00 -0.00 0.00 0.00 60.37 60.48 1i2d h HIS 558 Cb -0.04 -0.19 -0.00 0.00 -0.00 0.00 0.00 27.41 27.18 1i2d h HIS 558 CO -0.00 0.66 -0.53 1.49 -0.00 0.00 0.00 177.93 179.55 1i2d h GLU 559 N 0.61 0.76 0.28 5.26 4.81 0.24 -1.46 114.58 125.07 1i2d h GLU 559 Ca 0.12 -0.47 -0.01 0.00 -0.13 0.00 0.00 59.36 58.87 1i2d h GLU 559 Cb 0.41 0.05 0.00 0.00 0.63 0.00 0.00 28.75 29.84 1i2d h GLU 559 CO 0.02 1.10 -0.13 0.82 -0.73 0.00 0.00 179.01 180.08 1i2d h ILE 560 N 0.59 0.74 -0.60 2.32 2.04 -1.03 -2.75 117.51 118.82 1i2d h ILE 560 Ca 0.02 -0.11 0.12 0.00 1.00 0.00 0.00 64.86 65.89 1i2d h ILE 560 Cb 1.11 0.81 -0.10 0.00 -0.74 0.00 0.00 36.82 37.90 1i2d h ILE 560 CO 0.11 0.02 0.05 0.40 0.00 0.00 0.00 178.15 178.73 1i2d h ILE 561 N -0.43 0.56 -0.59 -0.67 1.08 -1.20 0.55 117.51 116.81 1i2d h ILE 561 Ca -0.04 -0.06 0.08 0.00 -0.39 0.00 0.00 64.86 64.45 1i2d h ILE 561 Cb 0.33 0.38 -0.04 0.00 -3.07 0.00 0.00 36.82 34.42 1i2d h ILE 561 CO 0.06 0.03 0.39 -0.07 -0.69 0.00 0.00 178.15 177.88 1i2d h LEU 562 N 0.16 0.42 -0.04 1.44 3.38 -1.10 -0.76 115.31 118.81 1i2d h LEU 562 Ca 0.31 0.01 -0.02 0.00 0.09 0.00 0.00 57.88 58.27 1i2d h LEU 562 Cb 0.49 -0.08 -0.00 0.00 0.09 0.00 0.00 40.66 41.16 1i2d h LEU 562 CO -0.47 0.27 -0.05 0.58 0.09 0.00 0.00 178.44 178.85 1i2d h VAL 563 N 0.48 1.39 -0.95 1.22 2.07 -0.63 -1.03 116.25 118.80 1i2d h VAL 563 Ca 0.26 -1.26 0.08 0.00 0.82 0.00 0.00 66.70 66.61 1i2d h VAL 563 Cb 0.41 2.14 -0.07 0.00 -1.52 0.00 0.00 31.29 32.26 1i2d h VAL 563 CO -0.08 0.34 0.61 -0.07 0.02 0.00 0.00 177.57 178.40 1i2d h LEU 564 N -0.36 0.92 -0.03 2.57 3.38 -0.95 -2.62 115.31 118.22 1i2d h LEU 564 Ca 0.01 0.02 -0.00 0.00 0.09 0.00 0.00 57.88 57.99 1i2d h LEU 564 Cb 0.58 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 41.15 1i2d h LEU 564 CO 0.01 0.56 0.00 -0.08 0.09 0.00 0.00 178.44 179.03 1i2d h GLU 565 N 1.03 0.05 -0.15 1.13 4.22 -1.04 -2.15 114.58 117.68 1i2d h GLU 565 Ca 0.43 -0.01 0.04 0.00 0.08 0.00 0.00 59.36 59.90 1i2d h GLU 565 Cb 0.29 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.53 1i2d h GLU 565 CO -0.18 0.30 0.17 0.66 -2.18 0.00 0.00 179.01 177.78 1i2d h SER 566 N -0.21 0.00 -0.26 1.04 4.64 -0.83 -0.97 113.55 116.97 1i2d h SER 566 Ca 0.01 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.33 1i2d h SER 566 Cb 0.27 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.36 1i2d h SER 566 CO 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 175.96 1i2d n GLN 567 N -3.76 2.15 -0.57 4.77 6.02 -1.07 -4.96 117.38 119.97 1i2d n GLN 567 Ca 0.01 -1.73 0.00 0.00 -0.01 0.00 0.00 57.00 55.27 1i2d n GLN 567 Cb 0.29 -1.46 0.00 0.00 1.02 0.00 0.00 30.24 30.09 1i2d n GLN 567 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1i2d n GLY 568 N 1.33 0.74 0.23 1.08 0.00 -0.37 -4.92 105.19 103.29 1i2d n GLY 568 Ca 0.18 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.32 1i2d n GLY 568 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 1i2d h PHE 569 N 0.00 0.00 -0.38 1.61 -1.00 -1.58 -2.94 116.94 112.66 1i2d h PHE 569 Ca 0.00 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.78 1i2d h PHE 569 Cb 0.00 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.56 1i2d h PHE 569 CO 0.00 0.11 0.00 1.28 -1.61 0.00 0.00 178.31 178.09 1i2d n LEU 570 N -3.19 3.37 -4.28 1.54 4.77 -1.26 -4.47 117.00 113.49 1i2d n LEU 570 Ca 0.02 -1.53 -0.28 0.00 -0.03 0.00 0.00 56.01 54.18 1i2d n LEU 570 Cb 0.44 -0.24 0.24 0.00 -2.33 0.00 0.00 43.42 41.52 1i2d n LEU 570 CO 0.32 0.73 0.13 -0.62 -1.33 0.00 0.00 177.39 176.62 1i2d n GLU 571 N 1.39 -2.96 -3.55 3.23 -0.58 -1.20 -4.98 120.64 111.99 1i2d n GLU 571 Ca 0.18 -0.86 -0.38 0.00 -0.42 0.00 0.00 57.16 55.69 1i2d n GLU 571 Cb 0.58 -1.88 -0.06 0.00 -0.57 0.00 0.00 31.44 29.51 1i2d n GLU 571 CO 0.00 0.00 0.00 1.03 -0.48 0.00 0.00 177.13 177.68 1i2d s ARG 572 N -4.19 3.89 0.00 3.49 3.00 -1.26 -4.83 118.95 119.04 1i2d s ARG 572 Ca 0.61 0.31 0.30 0.00 0.00 0.00 0.00 55.73 56.95 1i2d s ARG 572 Cb -0.16 -3.24 1.46 0.00 0.00 0.00 0.00 34.95 33.02 1i2d s ARG 572 CO 0.59 0.65 1.98 0.00 0.00 0.00 0.00 175.30 178.52