#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 -0.28 0.33 0.00 3.04 -1.22 -4.75 114.94 112.05 1i2d s ASN 3 Ca 0.00 -0.22 -0.26 0.00 0.04 0.00 0.00 52.86 52.41 1i2d s ASN 3 Cb 0.00 0.48 -0.10 0.00 -1.54 0.00 0.00 41.25 40.10 1i2d s ASN 3 CO 0.00 -0.84 0.99 0.00 -3.04 0.00 0.00 177.10 174.22 1i2d s ALA 4 N -3.58 3.22 0.93 1.71 0.00 -1.26 -4.64 121.76 118.14 1i2d s ALA 4 Ca 0.01 0.63 -0.14 0.00 0.00 0.00 0.00 51.96 52.47 1i2d s ALA 4 Cb 0.01 -3.23 0.00 0.00 0.00 0.00 0.00 23.12 19.91 1i2d s ALA 4 CO -0.10 0.03 0.27 -2.30 0.00 0.00 0.00 175.76 173.66 1i2d n PRO 5 N 0.57 -0.19 -2.59 0.00 -0.02 -1.26 -4.79 135.00 126.73 1i2d n PRO 5 Ca 0.02 -0.02 -0.42 0.00 -2.02 0.00 0.00 63.50 61.06 1i2d n PRO 5 Cb 0.49 -1.75 -0.03 0.00 -0.02 0.00 0.00 33.50 32.20 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 -2.29 3.43 0.00 6.00 2.46 -1.26 -2.46 115.29 121.16 1i2d s HIS 6 Ca 0.56 1.46 0.00 0.00 0.47 0.00 0.00 55.06 57.54 1i2d s HIS 6 Cb -0.22 -3.28 0.00 0.00 -0.13 0.00 0.00 32.58 28.95 1i2d s HIS 6 CO 0.68 -0.66 0.00 0.41 -2.47 0.00 0.00 174.74 172.70 1i2d n GLY 7 N 3.16 0.80 2.14 1.59 0.00 -1.26 -3.32 105.19 108.30 1i2d n GLY 7 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.11 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 2.91 3.11 -0.02 0.00 -1.03 -4.99 105.19 103.17 1i2d n GLY 8 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 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 -1.58 1.68 -0.31 1.61 1.01 -1.26 -4.69 120.40 116.86 1i2d s VAL 9 Ca 0.00 -0.77 -0.29 0.00 0.00 0.00 0.00 61.98 60.92 1i2d s VAL 9 Cb 0.00 -1.50 0.01 0.00 0.00 0.00 0.00 36.38 34.89 1i2d s VAL 9 CO 0.00 0.48 1.19 -0.22 0.00 0.00 0.00 175.10 176.55 1i2d s LEU 10 N 0.72 3.90 0.00 3.92 2.96 -1.26 -4.73 118.68 124.20 1i2d s LEU 10 Ca -0.12 1.12 -0.03 0.00 -0.22 0.00 0.00 54.13 54.88 1i2d s LEU 10 Cb -0.16 -3.54 -0.15 0.00 0.50 0.00 0.00 46.19 42.84 1i2d s LEU 10 CO 0.02 -0.99 2.40 0.29 -1.32 0.00 0.00 176.35 176.75 1i2d n LYS 11 N 7.12 1.24 -1.21 1.98 4.01 -1.26 -4.84 118.16 125.20 1i2d n LYS 11 Ca 0.13 -0.55 -0.40 0.00 -0.51 0.00 0.00 58.31 56.98 1i2d n LYS 11 Cb 0.47 -1.71 -0.07 0.00 -0.51 0.00 0.00 35.03 33.21 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 2.46 2.32 -0.34 4.39 -0.08 -1.26 -3.36 116.55 120.67 1i2d n ASP 12 Ca 0.24 -2.65 0.19 0.00 -1.51 0.00 0.00 54.79 51.06 1i2d n ASP 12 Cb 0.57 -1.14 0.42 0.00 2.34 0.00 0.00 41.12 43.31 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 15.49 0.62 -0.88 -2.67 3.38 -1.66 0.20 115.31 129.79 1i2d h LEU 13 Ca 0.35 0.14 -0.06 0.00 0.09 0.00 0.00 57.88 58.39 1i2d h LEU 13 Cb 0.73 0.04 -0.03 0.00 0.09 0.00 0.00 40.66 41.50 1i2d h LEU 13 CO 1.82 0.07 0.13 -0.07 0.09 0.00 0.00 178.44 180.48 1i2d h LEU 14 N 0.52 0.91 -0.34 1.67 3.38 -1.61 -1.60 115.31 118.22 1i2d h LEU 14 Ca 0.65 -0.19 -0.19 0.00 0.09 0.00 0.00 57.88 58.25 1i2d h LEU 14 Cb 1.34 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 41.85 1i2d h LEU 14 CO -0.47 0.89 -0.72 0.00 0.09 0.00 0.00 178.44 178.23 1i2d h ALA 15 N 1.22 0.52 0.37 1.53 0.00 -1.02 -2.94 119.26 118.94 1i2d h ALA 15 Ca 0.19 -0.59 -0.02 0.00 0.00 0.00 0.00 54.91 54.49 1i2d h ALA 15 Cb 0.35 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.09 1i2d h ALA 15 CO 0.00 0.73 -0.20 -0.09 0.00 0.00 0.00 179.25 179.69 1i2d h ARG 16 N 0.38 -0.51 -0.43 0.00 2.43 -0.61 -3.08 114.38 112.56 1i2d h ARG 16 Ca -0.03 0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1i2d h ARG 16 Cb 1.31 0.12 0.00 0.00 -0.42 0.00 0.00 29.97 30.97 1i2d h ARG 16 CO 0.13 -0.34 0.00 -0.25 -1.51 0.00 0.00 179.97 178.00 1i2d n ASP 17 N -5.33 1.96 -0.03 -3.80 8.00 -0.63 -4.40 116.55 112.33 1i2d n ASP 17 Ca -0.10 -2.09 0.03 0.00 0.71 0.00 0.00 54.79 53.33 1i2d n ASP 17 Cb 0.24 -0.29 0.38 0.00 -0.02 0.00 0.00 41.12 41.42 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 3.39 1.62 0.00 2.24 0.00 -1.42 -2.10 119.26 122.99 1i2d h ALA 18 Ca 0.00 -0.06 -0.08 0.00 0.00 0.00 0.00 54.91 54.77 1i2d h ALA 18 Cb 0.58 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 1i2d h ALA 18 CO 0.05 0.33 -0.39 -1.35 0.00 0.00 0.00 179.25 177.89 1i2d h PRO 19 N 0.61 0.00 -0.63 0.00 0.11 -1.83 -3.05 132.00 127.21 1i2d h PRO 19 Ca 0.16 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.27 1i2d h PRO 19 Cb -0.01 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.10 1i2d h PRO 19 CO -0.03 0.39 0.00 0.54 -0.21 0.00 0.00 178.00 178.69 1i2d n ARG 20 N -3.59 3.32 0.09 1.05 1.74 -0.81 -4.67 116.66 113.79 1i2d n ARG 20 Ca -0.00 -2.37 -0.16 0.00 -0.77 0.00 0.00 57.85 54.55 1i2d n ARG 20 Cb 0.51 -1.81 -0.10 0.00 -1.02 0.00 0.00 32.46 30.04 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 3.38 -0.69 -0.65 5.56 -0.00 -1.39 0.42 115.11 121.74 1i2d h GLN 21 Ca 0.00 0.05 0.13 0.00 -0.00 0.00 0.00 58.65 58.83 1i2d h GLN 21 Cb 1.27 0.16 -0.10 0.00 0.00 0.00 0.00 27.48 28.81 1i2d h GLN 21 CO 0.21 -0.46 0.08 0.00 0.00 0.00 0.00 178.83 178.65 1i2d h ALA 22 N -0.53 0.73 -0.06 3.38 0.00 -1.87 0.29 119.26 121.21 1i2d h ALA 22 Ca -0.00 0.17 -0.01 0.00 0.00 0.00 0.00 54.91 55.07 1i2d h ALA 22 Cb 0.74 0.27 -0.00 0.00 0.00 0.00 0.00 17.79 18.79 1i2d h ALA 22 CO -0.30 -0.36 0.01 0.93 0.00 0.00 0.00 179.25 179.52 1i2d h GLU 23 N 0.19 0.09 -0.60 0.00 5.08 -1.83 -1.60 114.58 115.91 1i2d h GLU 23 Ca 0.35 -0.03 -0.02 0.00 -1.00 0.00 0.00 59.36 58.66 1i2d h GLU 23 Cb 0.56 -0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.77 1i2d h GLU 23 CO -0.49 0.33 0.30 -0.07 -1.00 0.00 0.00 179.01 178.07 1i2d h LEU 24 N -0.16 0.76 0.48 1.33 3.38 -0.35 0.30 115.31 121.05 1i2d h LEU 24 Ca 0.02 -0.07 -0.02 0.00 0.09 0.00 0.00 57.88 57.89 1i2d h LEU 24 Cb 0.29 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 40.85 1i2d h LEU 24 CO 0.00 0.64 -0.23 0.00 0.09 0.00 0.00 178.44 178.94 1i2d h ALA 25 N 1.48 -0.65 -0.17 1.53 0.00 -0.28 0.08 119.26 121.25 1i2d h ALA 25 Ca 0.21 -0.14 0.05 0.00 0.00 0.00 0.00 54.91 55.03 1i2d h ALA 25 Cb 0.08 0.25 -0.05 0.00 0.00 0.00 0.00 17.79 18.07 1i2d h ALA 25 CO -0.03 -0.87 -0.16 0.00 0.00 0.00 0.00 179.25 178.20 1i2d h ALA 26 N -0.12 -0.05 -0.06 0.00 0.00 -0.85 -1.39 119.26 116.78 1i2d h ALA 26 Ca -0.07 0.06 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 1i2d h ALA 26 Cb 0.50 0.33 -0.00 0.00 0.00 0.00 0.00 17.79 18.62 1i2d h ALA 26 CO 0.11 -0.60 0.02 1.49 0.00 0.00 0.00 179.25 180.27 1i2d h GLU 27 N -0.18 0.09 0.00 0.00 4.81 -0.80 -1.96 114.58 116.53 1i2d h GLU 27 Ca 0.11 -0.01 -0.08 0.00 -0.13 0.00 0.00 59.36 59.25 1i2d h GLU 27 Cb 0.34 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.69 1i2d h GLU 27 CO -0.27 0.08 -0.37 0.00 -0.73 0.00 0.00 179.01 177.71 1i2d h ALA 28 N 1.94 1.32 0.00 2.92 0.00 0.14 -2.38 119.26 123.20 1i2d h ALA 28 Ca 0.02 -0.34 0.00 0.00 0.00 0.00 0.00 54.91 54.60 1i2d h ALA 28 Cb 0.02 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.76 1i2d h ALA 28 CO -0.00 0.46 0.00 0.93 0.00 0.00 0.00 179.25 180.64 1i2d h GLU 29 N 0.00 0.00 0.00 0.00 4.39 -0.98 -3.16 114.58 114.84 1i2d h GLU 29 Ca -0.00 0.00 -0.04 0.00 0.34 0.00 0.00 59.36 59.65 1i2d h GLU 29 Cb 0.68 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.33 1i2d h GLU 29 CO 0.05 0.00 -2.03 0.43 -1.16 0.00 0.00 179.01 176.30 1i2d n SER 30 N -3.03 0.01 -4.91 1.42 7.64 -0.90 -4.99 113.62 108.86 1i2d n SER 30 Ca -0.01 0.00 -0.27 0.00 1.01 0.00 0.00 58.87 59.61 1i2d n SER 30 Cb 0.19 1.87 0.01 0.00 -1.01 0.00 0.00 64.21 65.27 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 -4.64 3.56 0.16 -3.43 1.43 -1.19 -5.00 118.68 109.57 1i2d s LEU 31 Ca -0.08 0.82 -0.31 0.00 -1.03 0.00 0.00 54.13 53.53 1i2d s LEU 31 Cb 0.13 -3.74 -0.10 0.00 0.03 0.00 0.00 46.19 42.52 1i2d s LEU 31 CO 0.90 -0.68 1.52 -2.16 0.23 0.00 0.00 176.35 176.16 1i2d s PRO 32 N -4.76 4.24 0.03 1.29 0.04 -1.26 -4.64 135.00 129.93 1i2d s PRO 32 Ca 0.48 2.29 -0.01 0.00 0.04 0.00 0.00 61.00 63.80 1i2d s PRO 32 Cb -0.10 -3.17 -0.04 0.00 0.04 0.00 0.00 34.50 31.23 1i2d s PRO 32 CO 0.44 -0.55 0.19 0.00 0.04 0.00 0.00 177.00 177.12 1i2d s ALA 33 N 1.03 3.97 -0.09 8.56 0.00 -1.26 -1.56 121.76 132.40 1i2d s ALA 33 Ca 0.68 -0.81 0.03 0.00 0.00 0.00 0.00 51.96 51.87 1i2d s ALA 33 Cb -0.42 -1.84 -0.01 0.00 0.00 0.00 0.00 23.12 20.85 1i2d s ALA 33 CO 0.32 0.79 -0.20 0.08 0.00 0.00 0.00 175.76 176.75 1i2d s VAL 34 N -1.41 2.44 -0.21 0.00 1.01 0.30 -4.87 120.40 117.66 1i2d s VAL 34 Ca 0.31 -0.90 -0.16 0.00 0.00 0.00 0.00 61.98 61.23 1i2d s VAL 34 Cb -0.13 -1.95 -0.04 0.00 0.00 0.00 0.00 36.38 34.26 1i2d s VAL 34 CO 0.23 0.56 0.39 -0.89 0.00 0.00 0.00 175.10 175.39 1i2d s THR 35 N 0.07 5.20 0.42 3.92 2.01 -1.26 -0.76 115.64 125.24 1i2d s THR 35 Ca -0.09 0.67 -0.23 0.00 0.31 0.00 0.00 61.69 62.36 1i2d s THR 35 Cb -0.15 -3.72 -0.09 0.00 0.01 0.00 0.00 72.50 68.55 1i2d s THR 35 CO 0.06 0.24 1.04 -0.76 -0.69 0.00 0.00 174.62 174.51 1i2d s LEU 36 N 1.41 4.05 0.81 4.42 1.43 -0.51 -4.95 118.68 125.35 1i2d s LEU 36 Ca 0.18 1.99 -0.11 0.00 -1.03 0.00 0.00 54.13 55.16 1i2d s LEU 36 Cb -0.15 -4.31 0.10 0.00 0.03 0.00 0.00 46.19 41.87 1i2d s LEU 36 CO 0.08 -0.57 1.16 0.42 0.23 0.00 0.00 176.35 177.67 1i2d s THR 37 N -1.77 2.06 0.22 5.49 -4.23 -1.26 -4.27 115.64 111.88 1i2d s THR 37 Ca 0.61 -0.08 -0.07 0.00 -1.18 0.00 0.00 61.69 60.97 1i2d s THR 37 Cb -0.20 -2.99 0.14 0.00 1.34 0.00 0.00 72.50 70.79 1i2d s THR 37 CO 0.25 0.00 1.75 -0.08 -0.54 0.00 0.00 174.62 176.00 1i2d h GLU 38 N -1.05 1.12 -0.51 3.99 4.81 -1.99 -1.18 114.58 119.78 1i2d h GLU 38 Ca -0.45 -0.24 -0.10 0.00 -0.13 0.00 0.00 59.36 58.44 1i2d h GLU 38 Cb 1.31 -0.16 -0.02 0.00 0.63 0.00 0.00 28.75 30.51 1i2d h GLU 38 CO 0.59 0.96 -0.09 -0.09 -0.73 0.00 0.00 179.01 179.64 1i2d h ARG 39 N 1.07 0.93 -0.07 1.92 2.43 -1.98 -2.21 114.38 116.46 1i2d h ARG 39 Ca 0.23 -0.32 -0.10 0.00 -0.81 0.00 0.00 59.98 58.98 1i2d h ARG 39 Cb 0.31 -0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 29.78 1i2d h ARG 39 CO -0.01 0.97 -0.42 1.96 -1.51 0.00 0.00 179.97 180.96 1i2d h GLN 40 N 0.83 0.17 0.00 0.20 4.20 -1.91 -1.87 115.11 116.74 1i2d h GLN 40 Ca 0.14 -0.08 -0.04 0.00 0.06 0.00 0.00 58.65 58.73 1i2d h GLN 40 Cb 0.62 -0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.40 1i2d h GLN 40 CO 0.04 0.56 -0.19 -0.07 -0.67 0.00 0.00 178.83 178.50 1i2d h LEU 41 N 0.14 0.00 0.02 1.46 3.38 -0.83 0.39 115.31 119.88 1i2d h LEU 41 Ca 0.01 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.86 1i2d h LEU 41 Cb 0.81 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.57 1i2d h LEU 41 CO 0.06 0.19 -0.49 0.00 0.09 0.00 0.00 178.44 178.29 1i2d h ASP 43 N -0.31 0.39 -0.26 0.00 3.32 -1.23 -2.39 116.42 115.94 1i2d h ASP 43 Ca -0.07 -0.05 -0.03 0.00 0.02 0.00 0.00 57.03 56.90 1i2d h ASP 43 Cb 1.25 -0.10 -0.02 0.00 0.22 0.00 0.00 39.33 40.68 1i2d h ASP 43 CO 0.10 0.33 0.07 0.25 -1.72 0.00 0.00 179.24 178.26 1i2d h LEU 44 N 0.41 0.45 -0.57 1.55 5.85 -0.22 0.33 115.31 123.13 1i2d h LEU 44 Ca 0.12 -0.06 -0.11 0.00 0.84 0.00 0.00 57.88 58.67 1i2d h LEU 44 Cb 0.01 -0.12 -0.02 0.00 0.37 0.00 0.00 40.66 40.90 1i2d h LEU 44 CO -0.02 0.47 -0.06 -0.08 -0.34 0.00 0.00 178.44 178.41 1i2d h GLU 45 N 0.49 1.05 0.00 1.25 4.81 -0.92 -1.92 114.58 119.34 1i2d h GLU 45 Ca 0.11 -0.37 -0.13 0.00 -0.13 0.00 0.00 59.36 58.84 1i2d h GLU 45 Cb 0.21 -0.08 -0.02 0.00 0.63 0.00 0.00 28.75 29.50 1i2d h GLU 45 CO -0.00 1.06 -0.63 -0.07 -0.73 0.00 0.00 179.01 178.64 1i2d h LEU 46 N 0.93 0.00 0.05 1.64 3.38 -0.95 -2.63 115.31 117.73 1i2d h LEU 46 Ca 0.15 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.12 1i2d h LEU 46 Cb 0.63 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.38 1i2d h LEU 46 CO 0.04 0.63 -0.02 0.40 0.09 0.00 0.00 178.44 179.58 1i2d h ILE 47 N 0.00 0.00 -0.66 1.22 2.04 -0.71 -0.30 117.51 119.11 1i2d h ILE 47 Ca -0.01 -0.03 0.19 0.00 1.00 0.00 0.00 64.86 66.01 1i2d h ILE 47 Cb 1.24 0.00 -0.03 0.00 -0.74 0.00 0.00 36.82 37.29 1i2d h ILE 47 CO 0.08 0.00 0.84 0.24 0.00 0.00 0.00 178.15 179.31 1i2d h MET 48 N -0.10 0.00 -0.02 2.37 2.86 -1.41 -0.64 114.93 117.99 1i2d h MET 48 Ca -0.01 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.63 1i2d h MET 48 Cb 0.05 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.71 1i2d h MET 48 CO 0.01 0.00 -0.17 0.27 1.06 0.00 0.00 176.91 178.08 1i2d n ASN 49 N -3.36 2.48 0.00 1.22 0.23 -0.99 -1.71 115.26 113.13 1i2d n ASN 49 Ca 0.14 -1.74 0.00 0.00 -0.53 0.00 0.00 54.58 52.45 1i2d n ASN 49 Cb 1.06 0.19 0.00 0.00 -2.08 0.00 0.00 39.78 38.95 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 1.28 0.14 0.36 4.83 0.00 -0.25 -4.36 105.19 107.20 1i2d n GLY 50 Ca 0.11 0.00 0.19 0.00 0.00 0.00 0.00 46.02 46.32 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 0.00 -2.30 -0.02 0.00 -1.27 0.81 103.07 100.30 1i2d h GLY 51 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1i2d h GLY 51 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 176.54 177.23 1i2d n PHE 52 N -3.92 0.77 -1.35 5.60 0.99 -0.94 -4.35 117.46 114.26 1i2d n PHE 52 Ca 0.05 -0.44 -0.46 0.00 -0.00 0.00 0.00 57.45 56.60 1i2d n PHE 52 Cb 0.49 -0.01 -0.02 0.00 -1.00 0.00 0.00 39.48 38.94 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 1.37 -1.60 0.24 4.37 7.64 0.28 -1.66 113.62 124.25 1i2d n SER 53 Ca 0.21 1.04 0.13 0.00 1.01 0.00 0.00 58.87 61.25 1i2d n SER 53 Cb 0.57 -0.92 0.46 0.00 -1.01 0.00 0.00 64.21 63.32 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 0.83 0.00 -5.68 1.43 0.13 -1.84 -3.41 132.00 123.46 1i2d h PRO 54 Ca -0.30 0.00 -0.60 0.00 -0.87 0.00 0.00 66.00 64.23 1i2d h PRO 54 Cb 1.42 0.00 0.13 0.00 0.13 0.00 0.00 31.00 32.68 1i2d h PRO 54 CO 0.54 0.12 -0.76 -0.11 -0.23 0.00 0.00 178.00 177.55 1i2d n LEU 55 N -3.21 -2.19 -1.87 1.56 7.94 -0.67 -4.84 117.00 113.72 1i2d n LEU 55 Ca 0.01 0.87 -0.01 0.00 -1.11 0.00 0.00 56.01 55.77 1i2d n LEU 55 Cb 0.42 -0.86 0.02 0.00 0.53 0.00 0.00 43.42 43.54 1i2d n LEU 55 CO 0.32 -3.58 0.24 -1.84 -1.11 0.00 0.00 177.39 171.41 1i2d n GLU 56 N 1.16 0.63 0.00 1.96 0.28 -1.26 -4.80 120.64 118.61 1i2d n GLU 56 Ca 0.13 -1.88 0.00 0.00 -0.16 0.00 0.00 57.16 55.24 1i2d n GLU 56 Cb 0.33 -0.12 0.00 0.00 1.43 0.00 0.00 31.44 33.08 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 -0.28 0.02 3.75 -1.84 0.00 -1.26 -1.82 105.19 103.77 1i2d n GLY 57 Ca -0.08 -1.02 -0.41 0.00 0.00 0.00 0.00 46.02 44.52 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 3.44 0.20 1.61 0.40 -0.84 -4.89 117.98 115.91 1i2d s PHE 58 Ca 0.00 1.57 -0.32 0.00 -0.60 0.00 0.00 56.93 57.57 1i2d s PHE 58 Cb 0.00 -3.40 -0.14 0.00 0.51 0.00 0.00 43.02 40.00 1i2d s PHE 58 CO 0.00 -0.97 1.50 -1.33 0.70 0.00 0.00 175.22 175.12 1i2d n MET 59 N 1.52 2.13 -2.95 0.44 2.81 -0.60 -1.00 117.12 119.47 1i2d n MET 59 Ca 0.01 0.76 -0.23 0.00 -1.81 0.00 0.00 57.70 56.43 1i2d n MET 59 Cb 0.44 -2.48 0.01 0.00 -0.71 0.00 0.00 33.22 30.48 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 0.61 5.86 0.57 7.83 2.20 -1.26 -3.75 114.94 127.00 1i2d s ASN 60 Ca 0.73 0.35 0.29 0.00 -0.94 0.00 0.00 52.86 53.29 1i2d s ASN 60 Cb -0.66 -1.60 1.48 0.00 -2.00 0.00 0.00 41.25 38.47 1i2d s ASN 60 CO 0.44 -0.70 1.93 -0.61 -2.94 0.00 0.00 177.10 175.22 1i2d h GLN 61 N 0.37 0.00 0.25 3.55 4.15 -1.95 0.22 115.11 121.71 1i2d h GLN 61 Ca -0.46 0.00 -0.01 0.00 0.77 0.00 0.00 58.65 58.94 1i2d h GLN 61 Cb 1.25 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.94 1i2d h GLN 61 CO 0.58 0.00 -0.12 0.00 -1.93 0.00 0.00 178.83 177.36 1i2d h ALA 62 N 1.56 -0.34 0.06 3.38 0.00 -1.99 -0.28 119.26 121.64 1i2d h ALA 62 Ca 0.25 -0.19 -0.00 0.00 0.00 0.00 0.00 54.91 54.96 1i2d h ALA 62 Cb 1.18 0.13 0.00 0.00 0.00 0.00 0.00 17.79 19.10 1i2d h ALA 62 CO -0.00 -0.49 -0.03 -0.44 0.00 0.00 0.00 179.25 178.29 1i2d h ASP 63 N -0.74 -0.07 0.04 0.00 3.32 -1.71 -2.86 116.42 114.40 1i2d h ASP 63 Ca -0.03 -0.02 0.01 0.00 0.02 0.00 0.00 57.03 57.01 1i2d h ASP 63 Cb 0.50 0.02 -0.05 0.00 0.22 0.00 0.00 39.33 40.02 1i2d h ASP 63 CO 0.06 -0.03 -0.46 0.22 -1.72 0.00 0.00 179.24 177.31 1i2d h TYR 64 N -0.11 -1.35 -0.95 4.55 3.20 -0.59 -2.61 116.97 119.11 1i2d h TYR 64 Ca -0.01 0.04 0.11 0.00 3.14 0.00 0.00 58.73 62.01 1i2d h TYR 64 Cb 0.09 0.58 -0.08 0.00 1.54 0.00 0.00 36.73 38.86 1i2d h TYR 64 CO -0.07 -0.51 0.58 -0.44 -1.64 0.00 0.00 178.16 176.09 1i2d h ASP 65 N -0.61 0.84 0.44 -2.11 3.32 -1.07 0.30 116.42 117.53 1i2d h ASP 65 Ca 0.00 0.05 0.00 0.00 0.02 0.00 0.00 57.03 57.10 1i2d h ASP 65 Cb 0.64 -0.12 0.00 0.00 0.22 0.00 0.00 39.33 40.07 1i2d h ASP 65 CO -0.29 0.46 0.00 -0.09 -1.72 0.00 0.00 179.24 177.60 1i2d h ARG 66 N 0.93 0.00 0.00 3.56 9.65 -1.25 -2.46 114.38 124.80 1i2d h ARG 66 Ca 0.46 0.00 -0.21 0.00 -1.10 0.00 0.00 59.98 59.13 1i2d h ARG 66 Cb 0.44 0.00 -0.03 0.00 -1.39 0.00 0.00 29.97 28.99 1i2d h ARG 66 CO -0.26 0.00 -1.50 0.28 2.80 0.00 0.00 179.97 181.29 1i2d n VAL 67 N -2.39 1.50 -0.52 0.20 0.31 0.24 -0.75 118.33 116.92 1i2d n VAL 67 Ca 0.00 -0.06 0.40 0.00 -0.01 0.00 0.00 64.34 64.67 1i2d n VAL 67 Cb 0.15 -2.13 0.61 0.00 -0.91 0.00 0.00 33.84 31.57 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 -3.43 2.83 0.00 0.00 0.28 -0.94 -4.50 120.64 114.87 1i2d n GLU 69 Ca 0.33 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.33 1i2d n GLU 69 Cb 1.56 -0.27 0.00 0.00 1.43 0.00 0.00 31.44 34.16 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 -0.10 1.41 -2.66 -1.84 9.92 0.07 -4.99 116.55 118.35 1i2d n ASP 70 Ca 0.00 -1.64 -0.18 0.00 -0.53 0.00 0.00 54.79 52.44 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 -0.32 -4.73 -3.94 -2.24 3.02 -0.72 -4.90 115.26 101.43 1i2d n ASN 71 Ca 0.00 -0.02 -0.10 0.00 -0.03 0.00 0.00 54.58 54.44 1i2d n ASN 71 Cb 0.27 -3.94 -0.10 0.00 -0.61 0.00 0.00 39.78 35.40 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 -5.29 0.48 0.38 3.52 0.52 -0.74 -1.22 118.95 116.60 1i2d s ARG 72 Ca 0.11 -0.65 -0.06 0.00 -0.52 0.00 0.00 55.73 54.60 1i2d s ARG 72 Cb -0.05 0.18 -0.05 0.00 0.52 0.00 0.00 34.95 35.55 1i2d s ARG 72 CO 0.13 -0.11 0.68 -0.51 0.02 0.00 0.00 175.30 175.51 1i2d s LEU 73 N -1.79 3.88 0.34 2.53 1.43 0.28 -2.65 118.68 122.70 1i2d s LEU 73 Ca -0.10 0.88 0.14 0.00 -1.03 0.00 0.00 54.13 54.01 1i2d s LEU 73 Cb -0.05 -3.75 1.08 0.00 0.03 0.00 0.00 46.19 43.50 1i2d s LEU 73 CO -0.02 -0.36 1.65 0.00 0.23 0.00 0.00 176.35 177.85 1i2d h ALA 74 N 1.12 1.90 0.00 4.21 0.00 -1.79 0.65 119.26 125.36 1i2d h ALA 74 Ca -0.48 0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.64 1i2d h ALA 74 Cb 1.20 0.19 0.00 0.00 0.00 0.00 0.00 17.79 19.18 1i2d h ALA 74 CO 0.64 -0.60 0.00 -0.40 0.00 0.00 0.00 179.25 178.89 1i2d n ASP 75 N -5.10 0.00 0.00 0.00 3.85 -1.26 -4.85 116.55 109.19 1i2d n ASP 75 Ca 0.31 -0.63 0.00 0.00 -0.71 0.00 0.00 54.79 53.76 1i2d n ASP 75 Cb 0.98 0.00 0.00 0.00 -1.35 0.00 0.00 41.12 40.75 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 -0.12 2.74 3.59 6.12 0.00 0.23 -5.05 105.19 112.70 1i2d n GLY 76 Ca 0.05 -0.21 -0.41 0.00 0.00 0.00 0.00 46.02 45.44 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 0.62 0.96 -4.76 1.61 4.13 -1.26 -4.51 115.26 112.06 1i2d n ASN 77 Ca 0.00 1.01 -0.40 0.00 1.68 0.00 0.00 54.58 56.86 1i2d n ASN 77 Cb 0.00 -1.32 -0.04 0.00 -1.54 0.00 0.00 39.78 36.87 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 -1.31 3.47 -0.30 2.41 1.01 -1.26 -0.56 120.40 123.86 1i2d s VAL 78 Ca 0.64 1.46 -0.06 0.00 0.00 0.00 0.00 61.98 64.02 1i2d s VAL 78 Cb -0.56 -3.93 0.19 0.00 0.00 0.00 0.00 36.38 32.08 1i2d s VAL 78 CO 0.56 0.34 0.82 0.12 0.00 0.00 0.00 175.10 176.95 1i2d s PHE 79 N -1.10 -1.11 -2.30 5.22 5.36 -0.35 -4.83 117.98 118.87 1i2d s PHE 79 Ca 0.45 1.06 0.20 0.00 -0.96 0.00 0.00 56.93 57.68 1i2d s PHE 79 Cb -0.32 0.35 0.60 0.00 -0.34 0.00 0.00 43.02 43.31 1i2d s PHE 79 CO 0.41 -0.62 1.47 -1.13 -1.46 0.00 0.00 175.22 173.90 1i2d n SER 80 N 5.42 2.25 -3.89 6.13 3.41 -1.26 -3.45 113.62 122.23 1i2d n SER 80 Ca -0.02 -1.83 -0.23 0.00 -0.26 0.00 0.00 58.87 56.53 1i2d n SER 80 Cb 0.53 -0.17 -0.17 0.00 -0.26 0.00 0.00 64.21 64.14 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 -1.66 1.13 0.00 4.33 -2.45 -1.26 -4.79 119.30 114.60 1i2d s MET 81 Ca 0.33 -0.15 -0.30 0.00 -1.25 0.00 0.00 55.69 54.32 1i2d s MET 81 Cb 0.18 -1.18 -0.06 0.00 1.25 0.00 0.00 34.83 35.02 1i2d s MET 81 CO 0.27 -0.17 1.56 -1.25 1.05 0.00 0.00 175.02 176.49 1i2d s PRO 82 N 1.34 4.22 -0.50 4.11 0.04 -1.26 -4.96 135.00 137.99 1i2d s PRO 82 Ca -0.03 2.15 0.02 0.00 0.04 0.00 0.00 61.00 63.18 1i2d s PRO 82 Cb -0.14 -3.72 0.13 0.00 0.04 0.00 0.00 34.50 30.81 1i2d s PRO 82 CO -0.03 -0.72 0.25 0.42 0.04 0.00 0.00 177.00 176.96 1i2d s ILE 83 N 3.04 2.80 0.30 0.56 -1.09 -1.26 -5.09 121.20 120.45 1i2d s ILE 83 Ca 0.70 -2.96 0.08 0.00 -2.23 0.00 0.00 60.65 56.24 1i2d s ILE 83 Cb -0.35 -2.93 -0.06 0.00 -1.58 0.00 0.00 42.46 37.54 1i2d s ILE 83 CO 0.29 -0.77 -0.09 0.42 -1.23 0.00 0.00 174.94 173.57 1i2d s THR 84 N 0.10 1.92 -0.40 2.92 -4.23 -1.26 -1.56 115.64 113.12 1i2d s THR 84 Ca 0.15 -2.18 -0.06 0.00 -1.18 0.00 0.00 61.69 58.42 1i2d s THR 84 Cb -0.23 -2.47 0.09 0.00 1.34 0.00 0.00 72.50 71.23 1i2d s THR 84 CO -0.03 -0.30 0.21 -0.22 -0.54 0.00 0.00 174.62 173.75 1i2d s LEU 85 N -3.49 5.07 0.20 4.79 2.96 -1.26 -4.97 118.68 121.97 1i2d s LEU 85 Ca 0.30 -1.68 -0.13 0.00 -0.22 0.00 0.00 54.13 52.39 1i2d s LEU 85 Cb 0.02 -1.90 -0.07 0.00 0.50 0.00 0.00 46.19 44.74 1i2d s LEU 85 CO 0.13 -0.52 0.58 1.51 -1.32 0.00 0.00 176.35 176.74 1i2d s ASP 86 N 1.96 6.77 0.08 3.68 -4.77 -1.26 -0.54 116.67 122.60 1i2d s ASP 86 Ca 0.04 1.07 -0.08 0.00 -3.30 0.00 0.00 52.55 50.28 1i2d s ASP 86 Cb -0.23 -2.29 -0.01 0.00 -1.09 0.00 0.00 42.92 39.31 1i2d s ASP 86 CO -0.01 0.01 0.16 0.00 0.70 0.00 0.00 175.17 176.04 1i2d s ALA 87 N -1.63 -0.15 0.34 2.11 0.00 -0.22 -4.75 121.76 117.45 1i2d s ALA 87 Ca 0.43 -0.67 0.01 0.00 0.00 0.00 0.00 51.96 51.74 1i2d s ALA 87 Cb -0.13 0.45 -0.03 0.00 0.00 0.00 0.00 23.12 23.40 1i2d s ALA 87 CO 0.20 -0.48 0.52 -1.54 0.00 0.00 0.00 175.76 174.46 1i2d s SER 88 N -2.82 6.25 0.20 0.00 1.04 -1.26 -1.60 113.70 115.52 1i2d s SER 88 Ca 0.04 0.35 -0.11 0.00 0.48 0.00 0.00 55.95 56.71 1i2d s SER 88 Cb 0.05 -1.94 0.25 0.00 0.10 0.00 0.00 66.02 64.49 1i2d s SER 88 CO -0.10 -0.29 1.70 -0.61 0.98 0.00 0.00 173.24 174.92 1i2d h GLN 89 N 0.80 0.22 -0.78 4.02 5.75 -1.98 -1.45 115.11 121.69 1i2d h GLN 89 Ca -0.50 -0.01 0.11 0.00 -0.15 0.00 0.00 58.65 58.10 1i2d h GLN 89 Cb 1.22 -0.05 -0.05 0.00 1.07 0.00 0.00 27.48 29.67 1i2d h GLN 89 CO 0.61 0.15 0.51 0.93 -2.65 0.00 0.00 178.83 178.37 1i2d h GLU 90 N 0.23 0.63 0.06 1.69 3.07 -1.99 -0.08 114.58 118.18 1i2d h GLU 90 Ca 0.29 -0.04 -0.28 0.00 -0.50 0.00 0.00 59.36 58.83 1i2d h GLU 90 Cb 0.43 -0.14 0.03 0.00 -0.84 0.00 0.00 28.75 28.22 1i2d h GLU 90 CO -0.39 0.42 -1.14 0.28 -1.40 0.00 0.00 179.01 176.78 1i2d h VAL 91 N 0.65 1.28 -0.94 3.13 2.07 -1.69 -0.58 116.25 120.17 1i2d h VAL 91 Ca 0.37 -2.34 0.05 0.00 0.82 0.00 0.00 66.70 65.59 1i2d h VAL 91 Cb 0.55 2.53 -0.06 0.00 -1.52 0.00 0.00 31.29 32.80 1i2d h VAL 91 CO -0.14 0.72 0.61 0.40 0.02 0.00 0.00 177.57 179.18 1i2d h ILE 92 N 0.33 1.13 0.15 4.57 2.04 -0.49 -1.13 117.51 124.11 1i2d h ILE 92 Ca -0.16 -0.39 -0.01 0.00 1.00 0.00 0.00 64.86 65.30 1i2d h ILE 92 Cb 1.80 -0.11 0.00 0.00 -0.74 0.00 0.00 36.82 37.77 1i2d h ILE 92 CO 0.22 0.21 -0.07 0.44 0.00 0.00 0.00 178.15 178.95 1i2d h ASP 93 N 1.14 -0.17 -1.28 1.72 3.32 -1.04 0.35 116.42 120.47 1i2d h ASP 93 Ca 0.38 0.01 0.38 0.00 0.02 0.00 0.00 57.03 57.82 1i2d h ASP 93 Cb 0.08 0.04 -0.09 0.00 0.22 0.00 0.00 39.33 39.58 1i2d h ASP 93 CO -0.13 0.16 0.86 -0.08 -1.72 0.00 0.00 179.24 178.33 1i2d h GLU 94 N -0.76 0.15 0.00 3.56 4.22 -1.09 1.18 114.58 121.83 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 0.15 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.37 1i2d h GLU 94 CO 0.03 0.10 -0.89 1.63 -2.18 0.00 0.00 179.01 177.70 1i2d n LYS 95 N -4.47 0.04 -3.24 1.92 4.76 -0.43 -4.98 118.16 111.76 1i2d n LYS 95 Ca 0.32 -0.01 -0.15 0.00 -2.87 0.00 0.00 58.31 55.60 1i2d n LYS 95 Cb 1.28 -1.51 0.08 0.00 -1.84 0.00 0.00 35.03 33.04 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 -1.55 -5.33 -2.94 1.97 5.02 0.41 -4.94 118.16 110.78 1i2d n LYS 96 Ca 0.04 0.76 -0.40 0.00 -2.02 0.00 0.00 58.31 56.69 1i2d n LYS 96 Cb 0.35 -5.49 -0.05 0.00 -0.02 0.00 0.00 35.03 29.82 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 -5.78 4.48 0.22 -0.35 1.43 0.12 -5.02 118.68 113.77 1i2d s LEU 97 Ca 0.06 1.53 -0.22 0.00 -1.03 0.00 0.00 54.13 54.47 1i2d s LEU 97 Cb -0.01 -3.29 0.04 0.00 0.03 0.00 0.00 46.19 42.96 1i2d s LEU 97 CO 0.65 0.03 0.66 0.00 0.23 0.00 0.00 176.35 177.92 1i2d s GLN 98 N -0.19 1.53 0.42 1.70 -2.07 -1.26 -4.86 119.66 114.94 1i2d s GLN 98 Ca 0.39 -0.73 -0.22 0.00 -1.82 0.00 0.00 55.36 52.98 1i2d s GLN 98 Cb -0.21 0.60 -0.13 0.00 -1.09 0.00 0.00 33.01 32.18 1i2d s GLN 98 CO 0.24 -0.69 0.44 0.00 -1.32 0.00 0.00 175.29 173.97 1i2d n ALA 99 N -0.42 -1.83 0.00 2.60 0.00 -1.26 -1.03 120.51 118.58 1i2d n ALA 99 Ca -0.10 0.14 0.00 0.00 0.00 0.00 0.00 53.44 53.48 1i2d n ALA 99 Cb 0.62 -1.71 0.00 0.00 0.00 0.00 0.00 19.45 18.36 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 1.91 2.83 3.72 0.00 0.00 0.01 -4.99 105.19 108.67 1i2d n GLY 100 Ca 0.11 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.79 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 -2.45 4.31 -0.28 1.61 0.01 -0.19 -4.71 113.70 112.00 1i2d s SER 101 Ca 0.00 2.40 0.03 0.00 1.31 0.00 0.00 55.95 59.69 1i2d s SER 101 Cb 0.00 -2.59 0.07 0.00 0.21 0.00 0.00 66.02 63.71 1i2d s SER 101 CO 0.00 -2.19 -0.07 -0.13 0.41 0.00 0.00 173.24 171.26 1i2d s ARG 102 N -3.80 2.03 0.14 12.44 0.52 -1.26 -1.38 118.95 127.65 1i2d s ARG 102 Ca 0.76 -1.45 0.04 0.00 -0.52 0.00 0.00 55.73 54.55 1i2d s ARG 102 Cb -0.30 -2.95 -0.04 0.00 0.52 0.00 0.00 34.95 32.18 1i2d s ARG 102 CO 0.44 -0.66 0.19 0.96 0.02 0.00 0.00 175.30 176.25 1i2d s ILE 103 N 1.07 4.87 -0.14 1.52 -4.36 -0.57 -4.35 121.20 119.24 1i2d s ILE 103 Ca -0.04 -0.86 -0.08 0.00 -0.26 0.00 0.00 60.65 59.41 1i2d s ILE 103 Cb -0.20 -3.48 -0.04 0.00 1.25 0.00 0.00 42.46 39.99 1i2d s ILE 103 CO -0.06 -0.07 0.14 -0.89 0.24 0.00 0.00 174.94 174.31 1i2d s THR 104 N -1.70 5.48 -0.27 8.37 2.01 -0.60 -1.50 115.64 127.43 1i2d s THR 104 Ca 0.32 0.21 -0.10 0.00 0.31 0.00 0.00 61.69 62.43 1i2d s THR 104 Cb -0.11 -3.42 -0.05 0.00 0.01 0.00 0.00 72.50 68.93 1i2d s THR 104 CO 0.26 0.57 0.16 -0.76 -0.69 0.00 0.00 174.62 174.16 1i2d s LEU 105 N -0.67 3.94 -0.06 4.42 1.43 0.10 0.11 118.68 127.96 1i2d s LEU 105 Ca 0.13 -0.02 0.03 0.00 -1.03 0.00 0.00 54.13 53.24 1i2d s LEU 105 Cb -0.12 -2.08 -0.03 0.00 0.03 0.00 0.00 46.19 43.99 1i2d s LEU 105 CO 0.03 -0.02 -0.12 -0.60 0.23 0.00 0.00 176.35 175.87 1i2d s ARG 106 N 1.58 2.60 -0.44 1.70 3.52 0.06 -0.53 118.95 127.44 1i2d s ARG 106 Ca 0.07 -0.64 -0.29 0.00 -0.13 0.00 0.00 55.73 54.74 1i2d s ARG 106 Cb -0.15 -2.46 0.01 0.00 -1.56 0.00 0.00 34.95 30.79 1i2d s ARG 106 CO 0.08 0.63 1.44 0.34 -0.81 0.00 0.00 175.30 176.99 1i2d s ASP 107 N -0.74 6.26 0.62 -2.12 -1.08 -0.10 -1.42 116.67 118.08 1i2d s ASP 107 Ca 0.11 0.75 0.41 0.00 -0.52 0.00 0.00 52.55 53.31 1i2d s ASP 107 Cb -0.11 -2.54 2.12 0.00 -1.46 0.00 0.00 42.92 40.94 1i2d s ASP 107 CO 0.01 -1.51 2.24 2.19 0.52 0.00 0.00 175.17 178.62 1i2d h PHE 108 N 10.96 0.00 0.15 -5.34 -5.15 -1.90 0.46 116.94 116.12 1i2d h PHE 108 Ca -0.28 0.00 -0.01 0.00 -0.20 0.00 0.00 57.97 57.49 1i2d h PHE 108 Cb 1.11 0.00 0.00 0.00 0.22 0.00 0.00 35.95 37.28 1i2d h PHE 108 CO 0.98 0.00 -0.07 0.00 -2.00 0.00 0.00 178.31 177.22 1i2d h ARG 109 N 0.00 -0.20 0.00 6.09 3.08 -1.92 -3.38 114.38 118.06 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 0.11 0.04 0.00 0.00 0.08 0.00 0.00 29.97 30.20 1i2d h ARG 109 CO 0.00 0.24 -0.03 -0.40 -1.07 0.00 0.00 179.97 178.71 1i2d n ASP 110 N -4.94 2.10 0.00 7.04 5.68 -1.14 -4.99 116.55 120.30 1i2d n ASP 110 Ca -0.08 -2.80 0.00 0.00 -0.50 0.00 0.00 54.79 51.41 1i2d n ASP 110 Cb 0.27 -0.33 0.00 0.00 -1.14 0.00 0.00 41.12 39.91 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 -1.16 -3.28 -4.76 -1.12 8.00 0.16 -4.97 116.55 109.42 1i2d n ASP 111 Ca 0.12 0.00 -0.36 0.00 0.71 0.00 0.00 54.79 55.26 1i2d n ASP 111 Cb 0.58 -2.89 0.02 0.00 -0.02 0.00 0.00 41.12 38.80 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 -1.47 3.20 -0.40 -1.24 0.52 -1.24 -4.64 118.95 113.67 1i2d s ARG 112 Ca 0.00 1.76 -0.22 0.00 -0.52 0.00 0.00 55.73 56.75 1i2d s ARG 112 Cb 0.00 -2.02 0.02 0.00 0.52 0.00 0.00 34.95 33.47 1i2d s ARG 112 CO 0.00 -1.01 0.74 -0.80 0.02 0.00 0.00 175.30 174.25 1i2d s ASN 113 N -1.61 6.45 -0.21 0.23 0.01 -1.26 -0.93 114.94 117.62 1i2d s ASN 113 Ca 0.74 0.06 -0.19 0.00 -0.71 0.00 0.00 52.86 52.77 1i2d s ASN 113 Cb -0.28 -2.37 -0.19 0.00 0.41 0.00 0.00 41.25 38.82 1i2d s ASN 113 CO 0.31 -0.79 0.14 0.18 -1.51 0.00 0.00 177.10 175.44 1i2d n LEU 114 N 6.46 1.97 -3.97 0.60 4.77 0.31 -3.83 117.00 123.31 1i2d n LEU 114 Ca 0.01 0.38 -0.10 0.00 -0.03 0.00 0.00 56.01 56.28 1i2d n LEU 114 Cb 0.48 -0.96 -0.07 0.00 -2.33 0.00 0.00 43.42 40.54 1i2d n LEU 114 CO 0.55 0.39 -0.02 0.00 -1.33 0.00 0.00 177.39 176.98 1i2d s ALA 115 N -2.41 0.03 -0.17 -1.18 0.00 -1.19 0.25 121.76 117.09 1i2d s ALA 115 Ca -0.30 -0.91 0.01 0.00 0.00 0.00 0.00 51.96 50.76 1i2d s ALA 115 Cb 0.07 0.89 0.01 0.00 0.00 0.00 0.00 23.12 24.09 1i2d s ALA 115 CO 0.60 -0.65 -0.18 0.42 0.00 0.00 0.00 175.76 175.94 1i2d s ILE 116 N -3.98 2.35 -0.07 0.00 1.01 -0.42 0.02 121.20 120.10 1i2d s ILE 116 Ca 0.18 -0.86 -0.02 0.00 0.00 0.00 0.00 60.65 59.95 1i2d s ILE 116 Cb 0.03 -1.98 -0.03 0.00 0.01 0.00 0.00 42.46 40.48 1i2d s ILE 116 CO 0.01 0.52 0.01 -0.22 0.00 0.00 0.00 174.94 175.27 1i2d s LEU 117 N 1.06 3.63 -0.38 2.97 0.20 -0.57 -0.85 118.68 124.75 1i2d s LEU 117 Ca -0.01 0.15 -0.05 0.00 0.69 0.00 0.00 54.13 54.90 1i2d s LEU 117 Cb -0.14 -1.88 0.07 0.00 -0.43 0.00 0.00 46.19 43.81 1i2d s LEU 117 CO -0.06 0.36 0.16 -0.89 -0.29 0.00 0.00 176.35 175.64 1i2d s THR 118 N -0.93 3.62 0.03 3.68 2.01 -0.65 -1.51 115.64 121.88 1i2d s THR 118 Ca 0.15 -1.54 -0.33 0.00 0.31 0.00 0.00 61.69 60.27 1i2d s THR 118 Cb -0.11 -3.24 -0.12 0.00 0.01 0.00 0.00 72.50 69.04 1i2d s THR 118 CO 0.04 -0.42 1.78 -0.38 -0.69 0.00 0.00 174.62 174.95 1i2d n ILE 119 N 4.74 0.38 -0.05 1.82 5.41 -0.48 -3.30 119.36 127.88 1i2d n ILE 119 Ca -0.09 -0.07 -0.03 0.00 1.00 0.00 0.00 62.75 63.56 1i2d n ILE 119 Cb 0.43 -1.82 -0.01 0.00 -0.71 0.00 0.00 39.64 37.53 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 5.52 1.33 -2.76 4.38 10.43 0.52 -0.81 116.55 135.15 1i2d n ASP 120 Ca 0.20 0.54 -0.15 0.00 2.57 0.00 0.00 54.79 57.95 1i2d n ASP 120 Cb 0.31 -0.78 -0.05 0.00 1.84 0.00 0.00 41.12 42.44 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 -3.99 0.37 -3.10 -2.24 5.68 -1.24 -4.54 116.55 107.49 1i2d n ASP 121 Ca -0.05 -2.43 -0.12 0.00 -0.50 0.00 0.00 54.79 51.69 1i2d n ASP 121 Cb 0.19 0.87 -0.04 0.00 -1.14 0.00 0.00 41.12 41.01 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 -2.71 -0.52 0.24 2.12 1.01 -1.26 -2.72 121.20 117.36 1i2d s ILE 122 Ca 0.19 -1.29 0.05 0.00 0.00 0.00 0.00 60.65 59.61 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 0.14 -0.44 0.36 -0.72 0.00 0.00 0.00 174.94 174.28 1i2d s TYR 123 N 0.91 3.43 -0.43 3.97 -0.85 -0.78 -4.90 117.35 118.69 1i2d s TYR 123 Ca 0.26 -0.03 -0.08 0.00 -0.52 0.00 0.00 57.07 56.70 1i2d s TYR 123 Cb -0.03 -1.58 0.10 0.00 0.38 0.00 0.00 41.96 40.83 1i2d s TYR 123 CO -0.08 0.42 0.28 0.50 -1.52 0.00 0.00 175.55 175.15 1i2d s ARG 124 N -3.98 2.50 0.55 -3.49 3.52 -1.26 -0.29 118.95 116.49 1i2d s ARG 124 Ca 0.34 -1.60 -0.18 0.00 -0.13 0.00 0.00 55.73 54.17 1i2d s ARG 124 Cb -0.09 -3.80 -0.06 0.00 -1.56 0.00 0.00 34.95 29.45 1i2d s ARG 124 CO 0.29 -1.04 1.06 -1.25 -0.81 0.00 0.00 175.30 173.55 1i2d s PRO 125 N 1.37 3.48 -1.04 5.12 0.04 -1.26 -4.99 135.00 137.73 1i2d s PRO 125 Ca 0.04 1.32 -0.21 0.00 0.04 0.00 0.00 61.00 62.19 1i2d s PRO 125 Cb -0.24 -2.05 0.08 0.00 0.04 0.00 0.00 34.50 32.33 1i2d s PRO 125 CO 0.00 -0.69 1.39 0.34 0.04 0.00 0.00 177.00 178.09 1i2d s ASP 126 N -2.36 6.61 0.66 6.66 2.15 -1.26 -4.87 116.67 124.25 1i2d s ASP 126 Ca 0.66 -1.82 0.33 0.00 0.43 0.00 0.00 52.55 52.15 1i2d s ASP 126 Cb -0.17 -2.51 1.78 0.00 -0.30 0.00 0.00 42.92 41.72 1i2d s ASP 126 CO 0.30 -1.30 2.02 0.11 -0.17 0.00 0.00 175.17 176.12 1i2d h LYS 127 N 9.13 0.00 0.10 4.34 1.57 -1.97 0.09 116.57 129.82 1i2d h LYS 127 Ca 0.22 0.00 -0.26 0.00 -1.87 0.00 0.00 60.65 58.74 1i2d h LYS 127 Cb 0.99 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.30 1i2d h LYS 127 CO 1.33 0.00 -1.16 1.15 -0.57 0.00 0.00 179.45 180.20 1i2d h THR 128 N 0.00 1.47 -0.13 -0.16 2.02 -1.99 -1.79 112.91 112.33 1i2d h THR 128 Ca 0.01 -2.88 -0.15 0.00 0.77 0.00 0.00 66.41 64.16 1i2d h THR 128 Cb 0.55 2.80 -0.01 0.00 -1.74 0.00 0.00 68.15 69.75 1i2d h THR 128 CO -0.00 0.84 -0.57 0.11 0.37 0.00 0.00 175.52 176.27 1i2d h LYS 129 N 0.12 0.42 0.45 6.66 6.56 -1.41 -1.25 116.57 128.11 1i2d h LYS 129 Ca -0.12 -0.27 -0.02 0.00 -1.06 0.00 0.00 60.65 59.17 1i2d h LYS 129 Cb 1.86 0.03 0.00 0.00 -0.57 0.00 0.00 32.23 33.56 1i2d h LYS 129 CO 0.19 0.88 -0.21 1.49 -2.06 0.00 0.00 179.45 179.73 1i2d h GLU 130 N 0.32 -0.58 -0.75 3.15 4.81 -1.47 0.81 114.58 120.88 1i2d h GLU 130 Ca 0.00 0.04 0.13 0.00 -0.13 0.00 0.00 59.36 59.40 1i2d h GLU 130 Cb 1.09 0.13 -0.13 0.00 0.63 0.00 0.00 28.75 30.47 1i2d h GLU 130 CO 0.10 -0.28 -0.34 0.00 -0.73 0.00 0.00 179.01 177.77 1i2d h ALA 131 N -0.47 0.09 0.03 2.92 0.00 -1.28 0.59 119.26 121.15 1i2d h ALA 131 Ca -0.06 0.22 -0.17 0.00 0.00 0.00 0.00 54.91 54.89 1i2d h ALA 131 Cb 0.57 0.84 0.02 0.00 0.00 0.00 0.00 17.79 19.21 1i2d h ALA 131 CO 0.10 -0.63 -0.70 -0.22 0.00 0.00 0.00 179.25 177.81 1i2d h LYS 132 N -0.09 0.42 0.00 0.00 3.11 -0.92 -2.68 116.57 116.40 1i2d h LYS 132 Ca 0.29 -0.49 -0.17 0.00 -2.81 0.00 0.00 60.65 57.46 1i2d h LYS 132 Cb 0.57 0.15 -0.02 0.00 -1.00 0.00 0.00 32.23 31.93 1i2d h LYS 132 CO -0.80 1.15 -0.82 -0.07 -2.81 0.00 0.00 179.45 176.11 1i2d h LEU 133 N -0.10 0.00 0.00 5.20 3.38 0.95 -3.28 115.31 121.46 1i2d h LEU 133 Ca -0.10 0.00 -0.40 0.00 0.09 0.00 0.00 57.88 57.48 1i2d h LEU 133 Cb 1.42 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 42.11 1i2d h LEU 133 CO 0.14 0.82 -2.19 0.52 0.09 0.00 0.00 178.44 177.81 1i2d n VAL 134 N -3.49 1.53 -1.98 1.22 0.31 0.17 -4.67 118.33 111.43 1i2d n VAL 134 Ca -0.00 -0.28 -0.33 0.00 -0.01 0.00 0.00 64.34 63.72 1i2d n VAL 134 Cb 0.81 -1.93 0.03 0.00 -0.91 0.00 0.00 33.84 31.84 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 -4.30 3.12 -4.88 3.52 3.01 -1.01 -4.82 117.46 112.09 1i2d n PHE 135 Ca -0.48 -2.68 0.00 0.00 1.01 0.00 0.00 57.45 55.30 1i2d n PHE 135 Cb 0.83 -0.79 0.00 0.00 -0.01 0.00 0.00 39.48 39.51 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 -0.63 1.76 0.00 1.37 0.00 -1.23 -4.32 105.19 102.15 1i2d n GLY 136 Ca 0.50 -0.51 0.00 0.00 0.00 0.00 0.00 46.02 46.01 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 0.91 3.68 -0.02 0.00 -1.26 -2.52 105.19 105.98 1i2d n GLY 137 Ca 0.00 0.00 -0.49 0.00 0.00 0.00 0.00 46.02 45.53 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 -0.16 3.20 0.21 1.61 4.64 -1.26 -4.78 116.55 119.99 1i2d n ASP 138 Ca 0.00 1.02 0.15 0.00 -1.38 0.00 0.00 54.79 54.57 1i2d n ASP 138 Cb 0.04 -1.36 0.70 0.00 -1.04 0.00 0.00 41.12 39.45 1i2d n ASP 138 CO 0.00 0.00 0.00 -0.65 -0.82 0.00 0.00 177.20 175.73 1i2d h PRO 139 N 7.95 0.00 0.00 -0.67 0.11 -1.98 -1.55 132.00 135.86 1i2d h PRO 139 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 1i2d h PRO 139 Cb 1.27 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.38 1i2d h PRO 139 CO 0.93 0.00 -0.65 1.49 -0.21 0.00 0.00 178.00 179.56 1i2d h GLU 140 N 0.00 0.00 -6.68 1.05 4.81 -1.99 -3.38 114.58 108.40 1i2d h GLU 140 Ca 0.00 0.00 -0.55 0.00 -0.13 0.00 0.00 59.36 58.68 1i2d h GLU 140 Cb 0.20 0.00 0.08 0.00 0.63 0.00 0.00 28.75 29.66 1i2d h GLU 140 CO 0.00 0.00 0.81 1.58 -0.73 0.00 0.00 179.01 180.67 1i2d n HIS 141 N -2.34 2.56 -0.12 0.92 -0.00 -0.59 -4.82 115.22 110.82 1i2d n HIS 141 Ca 0.03 0.28 -0.05 0.00 0.46 0.00 0.00 57.72 58.43 1i2d n HIS 141 Cb 0.48 -2.56 0.01 0.00 -0.12 0.00 0.00 29.99 27.80 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 5.04 -0.13 -0.98 1.57 0.11 -1.89 -0.49 132.00 135.24 1i2d h PRO 142 Ca -0.46 0.01 0.03 0.00 0.11 0.00 0.00 66.00 65.70 1i2d h PRO 142 Cb 1.24 0.03 -0.06 0.00 0.11 0.00 0.00 31.00 32.32 1i2d h PRO 142 CO 0.82 -0.08 0.64 0.00 -0.21 0.00 0.00 178.00 179.16 1i2d h ALA 143 N 1.13 1.29 -0.06 -0.75 0.00 -1.91 -0.74 119.26 118.22 1i2d h ALA 143 Ca 0.20 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 55.04 1i2d h ALA 143 Cb 0.44 -0.36 -0.00 0.00 0.00 0.00 0.00 17.79 17.88 1i2d h ALA 143 CO -0.50 0.55 -0.03 0.82 0.00 0.00 0.00 179.25 180.09 1i2d h ILE 144 N 1.25 1.31 -0.83 0.00 2.04 -1.72 0.22 117.51 119.79 1i2d h ILE 144 Ca 0.39 -1.00 0.12 0.00 1.00 0.00 0.00 64.86 65.36 1i2d h ILE 144 Cb -0.02 1.85 -0.06 0.00 -0.74 0.00 0.00 36.82 37.85 1i2d h ILE 144 CO -0.12 0.27 0.54 0.58 0.00 0.00 0.00 178.15 179.43 1i2d h VAL 145 N -0.24 0.90 -0.09 1.67 2.07 -0.77 -0.45 116.25 119.34 1i2d h VAL 145 Ca 0.02 -0.24 -0.06 0.00 0.82 0.00 0.00 66.70 67.23 1i2d h VAL 145 Cb 0.45 0.14 0.00 0.00 -1.52 0.00 0.00 31.29 30.36 1i2d h VAL 145 CO 0.01 0.13 -0.18 0.22 0.02 0.00 0.00 177.57 177.77 1i2d h TYR 146 N 0.70 0.36 -0.84 1.57 3.20 -0.86 -1.61 116.97 119.49 1i2d h TYR 146 Ca 0.40 -0.13 0.20 0.00 3.14 0.00 0.00 58.73 62.34 1i2d h TYR 146 Cb 0.57 -0.07 -0.13 0.00 1.54 0.00 0.00 36.73 38.64 1i2d h TYR 146 CO -0.00 0.78 0.27 1.25 -1.64 0.00 0.00 178.16 178.82 1i2d h LEU 147 N -0.16 0.11 0.04 2.82 5.85 0.96 0.27 115.31 125.20 1i2d h LEU 147 Ca 0.00 0.17 -0.29 0.00 0.84 0.00 0.00 57.88 58.60 1i2d h LEU 147 Cb 0.76 0.20 -0.03 0.00 0.37 0.00 0.00 40.66 41.96 1i2d h LEU 147 CO 0.04 -0.07 -1.59 0.78 -0.34 0.00 0.00 178.44 177.26 1i2d h ASN 148 N 0.29 0.15 0.19 1.25 2.35 -1.20 -3.31 115.58 115.29 1i2d h ASN 148 Ca 0.51 -0.25 -0.23 0.00 -0.55 0.00 0.00 56.30 55.78 1i2d h ASN 148 Cb 0.96 -0.05 -0.04 0.00 0.05 0.00 0.00 38.32 39.24 1i2d h ASN 148 CO -0.57 1.22 -2.03 0.59 -1.65 0.00 0.00 177.43 174.99 1i2d n ASN 149 N -3.25 0.25 -0.04 5.81 4.13 -0.61 -4.74 115.26 116.81 1i2d n ASN 149 Ca -0.16 0.11 -0.06 0.00 1.68 0.00 0.00 54.58 56.15 1i2d n ASN 149 Cb 1.03 0.98 -0.04 0.00 -1.54 0.00 0.00 39.78 40.22 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 -2.68 0.47 -1.87 3.41 -1.04 0.85 -4.99 114.28 108.44 1i2d n THR 150 Ca -0.20 -0.17 -0.41 0.00 -2.04 0.00 0.00 64.05 61.22 1i2d n THR 150 Cb 0.94 -0.88 -0.02 0.00 -1.82 0.00 0.00 70.33 68.55 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 -2.16 2.27 0.00 12.58 1.01 -0.66 -5.01 120.40 128.43 1i2d s VAL 151 Ca -0.11 0.24 0.00 0.00 0.00 0.00 0.00 61.98 62.10 1i2d s VAL 151 Cb 0.03 -3.15 0.00 0.00 0.00 0.00 0.00 36.38 33.26 1i2d s VAL 151 CO 0.19 0.04 0.00 0.29 0.00 0.00 0.00 175.10 175.62 1i2d n LYS 152 N 1.98 0.27 0.05 2.72 4.76 -1.26 -4.75 118.16 121.93 1i2d n LYS 152 Ca 0.07 0.00 -0.13 0.00 -2.87 0.00 0.00 58.31 55.38 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 0.14 -6.48 1.97 4.81 -1.94 -3.46 114.58 109.62 1i2d h GLU 153 Ca 0.00 -0.24 -0.64 0.00 -0.13 0.00 0.00 59.36 58.35 1i2d h GLU 153 Cb 0.00 0.09 -0.16 0.00 0.63 0.00 0.00 28.75 29.31 1i2d h GLU 153 CO 0.00 0.97 -0.77 -0.06 -0.73 0.00 0.00 179.01 178.42 1i2d s PHE 154 N -2.64 2.42 -0.08 0.92 0.40 -0.63 -4.15 117.98 114.23 1i2d s PHE 154 Ca -0.06 -0.31 -0.00 0.00 -0.60 0.00 0.00 56.93 55.96 1i2d s PHE 154 Cb 0.08 -1.17 -0.03 0.00 0.51 0.00 0.00 43.02 42.41 1i2d s PHE 154 CO 0.84 0.54 -0.04 0.71 0.70 0.00 0.00 175.22 177.98 1i2d s TYR 155 N -1.84 3.04 -0.37 0.36 4.12 0.60 -1.06 117.35 122.20 1i2d s TYR 155 Ca 0.24 0.10 0.00 0.00 0.02 0.00 0.00 57.07 57.43 1i2d s TYR 155 Cb -0.08 -1.75 0.10 0.00 -1.52 0.00 0.00 41.96 38.72 1i2d s TYR 155 CO 0.13 0.39 0.13 0.42 0.02 0.00 0.00 175.55 176.64 1i2d s ILE 156 N -0.83 2.79 0.53 2.71 1.01 0.30 -1.86 121.20 125.84 1i2d s ILE 156 Ca 0.13 -2.19 -0.18 0.00 0.00 0.00 0.00 60.65 58.41 1i2d s ILE 156 Cb -0.11 -2.97 -0.07 0.00 0.01 0.00 0.00 42.46 39.32 1i2d s ILE 156 CO 0.02 -0.64 1.02 -0.83 0.00 0.00 0.00 174.94 174.51 1i2d s GLY 157 N 1.37 2.23 0.00 6.18 0.00 -1.10 -4.37 107.32 111.62 1i2d s GLY 157 Ca 0.09 0.38 0.00 0.00 0.00 0.00 0.00 44.72 45.20 1i2d s GLY 157 CO -0.06 0.69 0.00 0.61 0.00 0.00 0.00 173.10 174.34 1i2d n GLY 158 N -0.94 3.07 3.86 0.20 0.00 -0.17 -0.35 105.19 110.86 1i2d n GLY 158 Ca 0.08 -0.53 -0.30 0.00 0.00 0.00 0.00 46.02 45.26 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 -2.00 3.05 0.07 1.61 1.02 -1.21 -1.98 119.74 120.31 1i2d s LYS 159 Ca 0.00 0.63 0.10 0.00 0.02 0.00 0.00 55.97 56.72 1i2d s LYS 159 Cb 0.00 -2.03 -0.03 0.00 -0.52 0.00 0.00 37.83 35.25 1i2d s LYS 159 CO 0.00 -0.94 -0.26 0.42 -0.92 0.00 0.00 175.35 173.65 1i2d s ILE 160 N -3.24 2.22 -0.04 2.17 -1.09 -0.76 -1.64 121.20 118.82 1i2d s ILE 160 Ca 0.57 -1.51 0.05 0.00 -2.23 0.00 0.00 60.65 57.54 1i2d s ILE 160 Cb -0.12 -1.91 -0.01 0.00 -1.58 0.00 0.00 42.46 38.84 1i2d s ILE 160 CO 0.53 0.27 -0.20 -1.61 -1.23 0.00 0.00 174.94 172.70 1i2d s GLU 161 N -1.54 1.94 -0.19 2.79 2.02 -0.03 -4.91 118.70 118.77 1i2d s GLU 161 Ca 0.13 -0.72 -0.20 0.00 0.02 0.00 0.00 54.97 54.20 1i2d s GLU 161 Cb -0.10 -1.72 -0.03 0.00 0.10 0.00 0.00 34.13 32.38 1i2d s GLU 161 CO 0.04 0.34 0.59 0.00 0.02 0.00 0.00 175.26 176.24 1i2d s ALA 162 N -0.16 3.53 -0.25 5.21 0.00 -1.26 -1.30 121.76 127.52 1i2d s ALA 162 Ca -0.00 -0.28 -0.17 0.00 0.00 0.00 0.00 51.96 51.51 1i2d s ALA 162 Cb -0.11 -2.90 -0.14 0.00 0.00 0.00 0.00 23.12 19.97 1i2d s ALA 162 CO 0.02 -0.46 -0.16 0.28 0.00 0.00 0.00 175.76 175.44 1i2d n VAL 163 N 4.53 1.53 -3.84 0.00 0.31 0.14 -4.80 118.33 116.20 1i2d n VAL 163 Ca -0.03 -0.23 -0.11 0.00 -0.01 0.00 0.00 64.34 63.96 1i2d n VAL 163 Cb 0.50 -1.97 -0.09 0.00 -0.91 0.00 0.00 33.84 31.37 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 -7.18 -0.02 0.10 4.52 0.01 0.10 -4.90 114.94 107.58 1i2d s ASN 164 Ca -0.35 -0.19 -0.25 0.00 -0.71 0.00 0.00 52.86 51.36 1i2d s ASN 164 Cb 0.11 0.25 -0.07 0.00 0.41 0.00 0.00 41.25 41.96 1i2d s ASN 164 CO 0.52 -0.44 0.78 -1.59 -1.51 0.00 0.00 177.10 174.86 1i2d s LYS 165 N -1.71 4.54 0.61 -0.60 -2.85 -1.26 -4.71 119.74 113.76 1i2d s LYS 165 Ca -0.12 1.13 -0.18 0.00 -1.00 0.00 0.00 55.97 55.81 1i2d s LYS 165 Cb -0.05 -3.32 -0.10 0.00 -2.06 0.00 0.00 37.83 32.30 1i2d s LYS 165 CO 0.01 0.40 0.28 1.28 0.10 0.00 0.00 175.35 177.42 1i2d n LEU 166 N 2.28 -0.75 -4.88 2.77 4.77 -1.26 -4.96 117.00 114.97 1i2d n LEU 166 Ca -0.04 0.65 -0.36 0.00 -0.03 0.00 0.00 56.01 56.23 1i2d n LEU 166 Cb 0.49 -1.08 -0.06 0.00 -2.33 0.00 0.00 43.42 40.45 1i2d n LEU 166 CO 0.47 -3.69 -0.17 0.20 -1.33 0.00 0.00 177.39 172.87 1i2d s ASN 167 N -1.19 6.34 -0.03 -1.43 0.02 -1.26 -5.10 114.94 112.29 1i2d s ASN 167 Ca 0.63 0.43 0.02 0.00 -1.02 0.00 0.00 52.86 52.92 1i2d s ASN 167 Cb -0.42 -2.03 0.01 0.00 0.02 0.00 0.00 41.25 38.83 1i2d s ASN 167 CO 0.60 0.38 -0.06 -1.00 0.02 0.00 0.00 177.10 177.03 1i2d s HIS 168 N -1.08 0.81 -2.41 2.20 3.76 -1.26 -5.04 115.29 112.26 1i2d s HIS 168 Ca 0.17 -0.21 0.21 0.00 -0.15 0.00 0.00 55.06 55.08 1i2d s HIS 168 Cb -0.12 -0.64 0.12 0.00 1.11 0.00 0.00 32.58 33.05 1i2d s HIS 168 CO 0.07 -0.14 1.12 0.66 -0.85 0.00 0.00 174.74 175.60 1i2d n TYR 169 N 3.64 0.00 -4.08 1.40 4.02 -1.26 -4.74 117.16 116.14 1i2d n TYR 169 Ca -0.22 0.00 -0.35 0.00 -0.01 0.00 0.00 57.90 57.33 1i2d n TYR 169 Cb 0.53 0.00 -0.12 0.00 -0.02 0.00 0.00 39.34 39.73 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 -1.89 5.07 -1.36 7.72 -4.77 -1.26 -4.65 116.67 115.54 1i2d s ASP 170 Ca 0.22 -0.12 -0.04 0.00 -3.30 0.00 0.00 52.55 49.32 1i2d s ASP 170 Cb 0.17 -1.87 0.02 0.00 -1.09 0.00 0.00 42.92 40.16 1i2d s ASP 170 CO 0.33 0.10 0.81 -1.22 0.70 0.00 0.00 175.17 175.89 1i2d n TYR 171 N 4.03 -2.08 -0.07 2.11 4.02 -1.26 -4.89 117.16 119.03 1i2d n TYR 171 Ca -0.17 0.87 0.02 0.00 -0.01 0.00 0.00 57.90 58.62 1i2d n TYR 171 Cb 0.52 -4.38 0.35 0.00 -0.02 0.00 0.00 39.34 35.80 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 -1.97 1.15 0.00 -0.72 -1.51 -1.85 -1.75 116.25 109.60 1i2d h VAL 172 Ca -0.60 -0.34 0.00 0.00 -1.23 0.00 0.00 66.70 64.53 1i2d h VAL 172 Cb 1.36 0.45 0.00 0.00 -2.13 0.00 0.00 31.29 30.97 1i2d h VAL 172 CO 0.58 0.16 0.00 0.00 -1.23 0.00 0.00 177.57 177.08 1i2d n ALA 173 N -2.46 1.78 0.70 5.19 0.00 -1.26 -2.75 120.51 121.71 1i2d n ALA 173 Ca 0.04 0.00 0.08 0.00 0.00 0.00 0.00 53.44 53.56 1i2d n ALA 173 Cb 0.08 -1.34 -0.00 0.00 0.00 0.00 0.00 19.45 18.19 1i2d n ALA 173 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1i2d n LEU 174 N -1.86 1.60 -4.83 0.00 4.77 -0.69 -4.94 117.00 111.05 1i2d n LEU 174 Ca 0.03 -0.77 -0.35 0.00 -0.03 0.00 0.00 56.01 54.90 1i2d n LEU 174 Cb 0.23 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.26 1i2d n LEU 174 CO 0.19 0.31 0.36 -0.13 -1.33 0.00 0.00 177.39 176.78 1i2d s ARG 175 N -1.86 4.12 -0.07 3.23 0.52 -1.04 0.28 118.95 124.13 1i2d s ARG 175 Ca 0.13 0.71 -0.09 0.00 -0.52 0.00 0.00 55.73 55.95 1i2d s ARG 175 Cb 0.13 -2.81 0.02 0.00 0.52 0.00 0.00 34.95 32.80 1i2d s ARG 175 CO 0.39 0.38 0.24 0.71 0.02 0.00 0.00 175.30 177.04 1i2d s TYR 176 N -1.59 -0.21 0.25 -0.53 1.51 -1.25 -4.88 117.35 110.65 1i2d s TYR 176 Ca 0.44 0.48 -0.03 0.00 -1.01 0.00 0.00 57.07 56.95 1i2d s TYR 176 Cb -0.15 0.07 -0.05 0.00 -0.11 0.00 0.00 41.96 41.73 1i2d s TYR 176 CO 0.20 -0.19 0.47 0.95 -1.11 0.00 0.00 175.55 175.87 1i2d s THR 177 N -0.30 5.12 0.26 -0.71 -4.23 -1.26 -4.86 115.64 109.66 1i2d s THR 177 Ca -0.04 -0.18 -0.05 0.00 -1.18 0.00 0.00 61.69 60.24 1i2d s THR 177 Cb -0.03 -3.74 0.31 0.00 1.34 0.00 0.00 72.50 70.38 1i2d s THR 177 CO 0.01 -0.26 1.63 -0.65 -0.54 0.00 0.00 174.62 174.81 1i2d h PRO 178 N 1.80 0.09 -0.39 3.99 0.11 -1.87 0.30 132.00 136.02 1i2d h PRO 178 Ca -0.48 -0.01 0.02 0.00 0.11 0.00 0.00 66.00 65.64 1i2d h PRO 178 Cb 1.19 -0.02 -0.03 0.00 0.11 0.00 0.00 31.00 32.25 1i2d h PRO 178 CO 0.67 0.06 0.23 0.00 -0.21 0.00 0.00 178.00 178.75 1i2d h ALA 179 N 1.76 0.50 -0.39 -0.75 0.00 -1.88 -0.83 119.26 117.67 1i2d h ALA 179 Ca 0.45 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 55.33 1i2d h ALA 179 Cb 0.82 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.49 1i2d h ALA 179 CO -0.71 -0.11 0.15 0.93 0.00 0.00 0.00 179.25 179.51 1i2d h GLU 180 N 0.46 0.58 0.01 0.00 5.08 -0.96 -1.48 114.58 118.28 1i2d h GLU 180 Ca 0.16 -0.11 0.02 0.00 -1.00 0.00 0.00 59.36 58.43 1i2d h GLU 180 Cb 0.01 -0.09 -0.03 0.00 0.50 0.00 0.00 28.75 29.14 1i2d h GLU 180 CO -0.08 0.56 -0.18 1.25 -1.00 0.00 0.00 179.01 179.56 1i2d h LEU 181 N 0.48 -0.53 -0.33 1.33 5.85 -0.40 0.13 115.31 121.84 1i2d h LEU 181 Ca 0.13 0.08 0.07 0.00 0.84 0.00 0.00 57.88 59.00 1i2d h LEU 181 Cb 0.20 0.22 -0.07 0.00 0.37 0.00 0.00 40.66 41.37 1i2d h LEU 181 CO -0.01 -0.25 -0.17 0.03 -0.34 0.00 0.00 178.44 177.70 1i2d h ARG 182 N -0.31 -0.11 -0.13 1.25 3.08 -0.95 0.59 114.38 117.80 1i2d h ARG 182 Ca 0.05 0.01 0.04 0.00 0.07 0.00 0.00 59.98 60.15 1i2d h ARG 182 Cb 0.37 0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.44 1i2d h ARG 182 CO -0.16 -0.08 0.10 0.28 -1.07 0.00 0.00 179.97 179.04 1i2d h VAL 183 N -0.12 0.87 -0.06 2.04 2.07 -0.69 -1.04 116.25 119.32 1i2d h VAL 183 Ca 0.17 0.00 -0.12 0.00 0.82 0.00 0.00 66.70 67.57 1i2d h VAL 183 Cb 0.37 0.93 0.01 0.00 -1.52 0.00 0.00 31.29 31.08 1i2d h VAL 183 CO -0.40 0.00 -0.42 -0.74 0.02 0.00 0.00 177.57 176.03 1i2d h HIS 184 N 0.00 0.54 -0.76 1.57 -0.00 0.27 -0.05 115.15 116.72 1i2d h HIS 184 Ca 0.06 -0.25 0.09 0.00 -0.00 0.00 0.00 60.37 60.27 1i2d h HIS 184 Cb 0.26 -0.08 -0.05 0.00 -0.00 0.00 0.00 27.41 27.54 1i2d h HIS 184 CO 0.00 1.02 0.50 0.74 -0.00 0.00 0.00 177.93 180.19 1i2d h PHE 185 N -0.10 0.75 0.57 5.26 0.05 0.13 -0.13 116.94 123.47 1i2d h PHE 185 Ca -0.04 0.02 -0.03 0.00 3.82 0.00 0.00 57.97 61.75 1i2d h PHE 185 Cb 1.09 -0.25 0.01 0.00 2.00 0.00 0.00 35.95 38.80 1i2d h PHE 185 CO 0.13 0.37 -0.28 0.22 -0.18 0.00 0.00 178.31 178.58 1i2d h ASP 186 N 0.72 -0.65 -1.01 2.17 3.58 -1.11 0.25 116.42 120.37 1i2d h ASP 186 Ca 0.34 -0.04 0.29 0.00 0.42 0.00 0.00 57.03 58.05 1i2d h ASP 186 Cb 0.39 0.17 -0.14 0.00 1.72 0.00 0.00 39.33 41.47 1i2d h ASP 186 CO -0.12 -0.28 0.59 0.50 -2.88 0.00 0.00 179.24 177.04 1i2d h LYS 187 N -1.08 0.42 0.00 0.28 3.64 -0.18 0.70 116.57 120.35 1i2d h LYS 187 Ca -0.08 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.28 1i2d h LYS 187 Cb 0.65 -0.10 0.00 0.00 -0.41 0.00 0.00 32.23 32.37 1i2d h LYS 187 CO 0.13 0.28 0.00 1.28 -2.27 0.00 0.00 179.45 178.87 1i2d n LEU 188 N -4.97 0.66 -0.11 5.20 4.77 -0.14 -4.92 117.00 117.50 1i2d n LEU 188 Ca 0.30 0.58 -0.01 0.00 -0.03 0.00 0.00 56.01 56.85 1i2d n LEU 188 Cb 0.88 -0.39 -0.00 0.00 -2.33 0.00 0.00 43.42 41.58 1i2d n LEU 188 CO 0.13 -0.23 -0.01 0.61 -1.33 0.00 0.00 177.39 176.56 1i2d n GLY 189 N 1.06 0.33 3.90 -0.72 0.00 0.24 -5.04 105.19 104.97 1i2d n GLY 189 Ca 0.05 -0.86 -0.30 0.00 0.00 0.00 0.00 46.02 44.92 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 -2.05 3.47 0.00 1.61 0.52 -0.01 -5.00 118.94 117.47 1i2d s TRP 190 Ca 0.00 0.63 0.00 0.00 0.02 0.00 0.00 56.10 56.75 1i2d s TRP 190 Cb 0.00 -2.08 0.00 0.00 -1.15 0.00 0.00 33.47 30.24 1i2d s TRP 190 CO 0.00 0.27 0.00 -1.13 0.02 0.00 0.00 176.95 176.11 1i2d n SER 191 N -0.54 1.36 -4.11 2.95 3.41 -1.26 -4.17 113.62 111.25 1i2d n SER 191 Ca -0.02 0.00 -0.29 0.00 -0.26 0.00 0.00 58.87 58.30 1i2d n SER 191 Cb 0.53 0.22 -0.17 0.00 -0.26 0.00 0.00 64.21 64.53 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 -0.84 2.41 -0.08 4.33 0.52 -1.26 -3.80 118.95 120.23 1i2d s ARG 192 Ca 0.00 -0.65 -0.02 0.00 -0.52 0.00 0.00 55.73 54.54 1i2d s ARG 192 Cb 0.00 -1.92 0.03 0.00 0.52 0.00 0.00 34.95 33.59 1i2d s ARG 192 CO 0.00 0.06 0.04 0.08 0.02 0.00 0.00 175.30 175.50 1i2d s VAL 193 N 0.62 0.10 -0.12 3.52 1.01 -1.26 -1.60 120.40 122.67 1i2d s VAL 193 Ca -0.14 0.19 -0.19 0.00 0.00 0.00 0.00 61.98 61.84 1i2d s VAL 193 Cb -0.16 -0.38 -0.04 0.00 0.00 0.00 0.00 36.38 35.79 1i2d s VAL 193 CO 0.04 0.13 0.53 -0.69 0.00 0.00 0.00 175.10 175.11 1i2d s VAL 194 N 2.08 5.15 -0.04 2.92 1.01 -0.34 -1.01 120.40 130.16 1i2d s VAL 194 Ca 0.04 1.05 -0.01 0.00 0.00 0.00 0.00 61.98 63.06 1i2d s VAL 194 Cb -0.13 -3.86 -0.04 0.00 0.00 0.00 0.00 36.38 32.35 1i2d s VAL 194 CO -0.05 0.29 0.03 0.00 0.00 0.00 0.00 175.10 175.37 1i2d s ALA 195 N 0.82 3.41 -0.23 5.51 0.00 0.07 -0.98 121.76 130.36 1i2d s ALA 195 Ca 0.28 -0.85 -0.01 0.00 0.00 0.00 0.00 51.96 51.38 1i2d s ALA 195 Cb -0.16 -1.51 0.02 0.00 0.00 0.00 0.00 23.12 21.48 1i2d s ALA 195 CO 0.12 0.63 -0.09 0.12 0.00 0.00 0.00 175.76 176.53 1i2d s PHE 196 N -1.03 2.98 0.32 0.00 5.36 -0.02 -2.09 117.98 123.50 1i2d s PHE 196 Ca 0.18 -1.48 -0.13 0.00 -0.96 0.00 0.00 56.93 54.54 1i2d s PHE 196 Cb -0.12 -2.03 -0.08 0.00 -0.34 0.00 0.00 43.02 40.46 1i2d s PHE 196 CO 0.08 -0.72 0.70 -1.14 -1.46 0.00 0.00 175.22 172.68 1i2d s GLN 197 N 1.34 3.90 -0.23 10.12 2.00 -1.26 -1.76 119.66 133.77 1i2d s GLN 197 Ca 0.02 0.53 -0.30 0.00 -2.00 0.00 0.00 55.36 53.61 1i2d s GLN 197 Cb -0.15 -2.47 0.16 0.00 0.80 0.00 0.00 33.01 31.35 1i2d s GLN 197 CO -0.06 0.14 1.22 -0.08 -0.50 0.00 0.00 175.29 176.01 1i2d s THR 198 N -2.05 0.00 -0.05 -0.34 -1.32 -1.26 -4.96 115.64 105.66 1i2d s THR 198 Ca 0.52 0.00 0.09 0.00 -1.21 0.00 0.00 61.69 61.09 1i2d s THR 198 Cb -0.10 -1.00 0.16 0.00 -1.51 0.00 0.00 72.50 70.05 1i2d s THR 198 CO 0.22 0.00 1.08 -2.11 -2.21 0.00 0.00 174.62 171.59 1i2d n ARG 199 N 0.52 0.45 -4.18 7.08 1.85 -1.26 -1.23 116.66 119.89 1i2d n ARG 199 Ca -0.03 -1.71 -0.11 0.00 -1.00 0.00 0.00 57.85 55.00 1i2d n ARG 199 Cb 0.58 -0.78 -0.10 0.00 -1.05 0.00 0.00 32.46 31.12 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 -1.79 0.44 0.61 2.89 0.01 -1.26 -4.74 114.94 111.11 1i2d s ASN 200 Ca 0.16 -1.24 -0.18 0.00 -0.71 0.00 0.00 52.86 50.89 1i2d s ASN 200 Cb 0.15 0.28 -0.02 0.00 0.41 0.00 0.00 41.25 42.07 1i2d s ASN 200 CO -0.02 -0.73 1.17 -2.16 -1.51 0.00 0.00 177.10 173.85 1i2d s PRO 201 N -4.05 2.91 -0.21 -0.60 0.04 -1.26 -4.94 135.00 126.89 1i2d s PRO 201 Ca 0.27 1.67 -0.16 0.00 0.04 0.00 0.00 61.00 62.82 1i2d s PRO 201 Cb 0.07 -1.94 -0.04 0.00 0.04 0.00 0.00 34.50 32.64 1i2d s PRO 201 CO 0.04 -1.21 0.42 -1.64 0.04 0.00 0.00 177.00 174.65 1i2d s MET 202 N -3.57 4.15 0.08 4.56 -1.94 -1.26 -5.07 119.30 116.26 1i2d s MET 202 Ca 0.74 0.23 0.01 0.00 -1.71 0.00 0.00 55.69 54.95 1i2d s MET 202 Cb -0.26 -3.56 0.01 0.00 2.01 0.00 0.00 34.83 33.03 1i2d s MET 202 CO 0.35 -0.10 0.11 0.72 -0.01 0.00 0.00 175.02 176.09 1i2d n HIS 203 N 4.68 -2.73 -0.21 -0.03 8.25 -1.26 -4.88 115.22 119.05 1i2d n HIS 203 Ca -0.07 -0.30 -0.01 0.00 -0.26 0.00 0.00 57.72 57.07 1i2d n HIS 203 Cb 0.51 -0.08 0.10 0.00 1.12 0.00 0.00 29.99 31.64 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 0.51 -0.37 -0.41 2.47 -1.71 -1.89 114.38 112.97 1i2d h ARG 204 Ca -0.04 -0.03 0.07 0.00 -1.26 0.00 0.00 59.98 58.72 1i2d h ARG 204 Cb 0.18 -0.11 -0.07 0.00 -1.65 0.00 0.00 29.97 28.31 1i2d h ARG 204 CO 0.06 0.34 -0.06 0.00 0.56 0.00 0.00 179.97 180.86 1i2d h ALA 205 N 1.38 0.28 0.00 0.04 0.00 -1.88 -1.61 119.26 117.47 1i2d h ALA 205 Ca 0.30 0.13 -0.05 0.00 0.00 0.00 0.00 54.91 55.29 1i2d h ALA 205 Cb 0.30 0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.33 1i2d h ALA 205 CO -0.25 -0.44 -0.24 0.45 0.00 0.00 0.00 179.25 178.77 1i2d h HIS 206 N 0.03 0.00 -0.30 0.00 3.86 -1.73 -1.07 115.15 115.93 1i2d h HIS 206 Ca 0.18 0.00 -0.11 0.00 -1.16 0.00 0.00 60.37 59.28 1i2d h HIS 206 Cb 0.27 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.73 1i2d h HIS 206 CO -0.31 0.24 -0.28 -0.09 0.86 0.00 0.00 177.93 178.35 1i2d h ARG 207 N 0.00 0.62 -0.25 2.45 1.12 -0.83 -2.63 114.38 114.85 1i2d h ARG 207 Ca -0.00 -0.26 -0.06 0.00 -1.11 0.00 0.00 59.98 58.55 1i2d h ARG 207 Cb 0.49 -0.02 -0.01 0.00 -0.01 0.00 0.00 29.97 30.42 1i2d h ARG 207 CO 0.03 0.84 -0.06 0.93 -3.11 0.00 0.00 179.97 178.60 1i2d h GLU 208 N 0.54 0.49 -0.12 0.20 4.39 -0.33 -1.78 114.58 117.97 1i2d h GLU 208 Ca 0.07 -0.19 0.04 0.00 0.34 0.00 0.00 59.36 59.62 1i2d h GLU 208 Cb 0.76 -0.03 -0.06 0.00 -0.10 0.00 0.00 28.75 29.32 1i2d h GLU 208 CO 0.06 0.71 -0.42 -0.07 -1.16 0.00 0.00 179.01 178.13 1i2d h LEU 209 N 0.24 -1.33 -0.95 1.33 3.38 -1.21 0.55 115.31 117.31 1i2d h LEU 209 Ca 0.06 0.17 0.06 0.00 0.09 0.00 0.00 57.88 58.27 1i2d h LEU 209 Cb 0.53 0.54 -0.06 0.00 0.09 0.00 0.00 40.66 41.75 1i2d h LEU 209 CO 0.03 -0.43 0.61 0.71 0.09 0.00 0.00 178.44 179.44 1i2d h THR 210 N -0.50 1.08 0.00 0.22 1.35 -1.42 0.18 112.91 113.82 1i2d h THR 210 Ca 0.07 -0.38 -0.12 0.00 -0.55 0.00 0.00 66.41 65.43 1i2d h THR 210 Cb 0.63 -0.13 -0.02 0.00 -1.73 0.00 0.00 68.15 66.91 1i2d h THR 210 CO -0.39 0.20 -0.56 0.58 -0.25 0.00 0.00 175.52 175.10 1i2d h VAL 211 N 1.11 1.19 -0.11 6.82 2.07 -0.74 -1.76 116.25 124.82 1i2d h VAL 211 Ca 0.41 -2.07 -0.03 0.00 0.82 0.00 0.00 66.70 65.83 1i2d h VAL 211 Cb 0.15 2.18 -0.00 0.00 -1.52 0.00 0.00 31.29 32.10 1i2d h VAL 211 CO -0.17 0.55 -0.03 0.03 0.02 0.00 0.00 177.57 177.97 1i2d h ARG 212 N 0.00 0.22 -0.67 1.57 3.08 0.52 -1.17 114.38 117.93 1i2d h ARG 212 Ca -0.01 -0.09 -0.02 0.00 0.07 0.00 0.00 59.98 59.93 1i2d h ARG 212 Cb 1.14 -0.01 -0.03 0.00 0.08 0.00 0.00 29.97 31.15 1i2d h ARG 212 CO 0.07 0.53 0.32 0.00 -1.07 0.00 0.00 179.97 179.82 1i2d h ALA 213 N 0.68 1.30 -0.54 0.04 0.00 -0.65 0.11 119.26 120.20 1i2d h ALA 213 Ca 0.03 -0.14 -0.09 0.00 0.00 0.00 0.00 54.91 54.72 1i2d h ALA 213 Cb 0.45 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 1i2d h ALA 213 CO 0.01 0.54 0.00 0.00 0.00 0.00 0.00 179.25 179.81 1i2d h ALA 214 N 1.40 0.73 -0.08 0.00 0.00 -1.16 0.31 119.26 120.46 1i2d h ALA 214 Ca 0.23 -0.29 -0.03 0.00 0.00 0.00 0.00 54.91 54.82 1i2d h ALA 214 Cb 0.10 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 17.69 1i2d h ALA 214 CO -0.03 0.55 -0.07 -0.09 0.00 0.00 0.00 179.25 179.61 1i2d h ARG 215 N 0.83 0.18 0.85 0.00 2.43 -0.69 0.28 114.38 118.26 1i2d h ARG 215 Ca 0.15 -0.09 -0.04 0.00 -0.81 0.00 0.00 59.98 59.19 1i2d h ARG 215 Cb 0.53 0.00 0.01 0.00 -0.42 0.00 0.00 29.97 30.09 1i2d h ARG 215 CO 0.03 0.60 -0.41 0.66 -1.51 0.00 0.00 179.97 179.34 1i2d h SER 216 N -0.23 -0.97 0.00 -3.80 4.64 -0.71 -2.77 113.55 109.71 1i2d h SER 216 Ca 0.01 0.03 0.00 0.00 -0.47 0.00 0.00 61.79 61.36 1i2d h SER 216 Cb 0.56 0.25 0.00 0.00 -0.31 0.00 0.00 62.40 62.90 1i2d h SER 216 CO 0.02 -0.62 0.00 0.54 -0.87 0.00 0.00 176.83 175.90 1i2d n ARG 217 N -5.54 0.92 -3.96 4.77 5.12 0.09 -4.86 116.66 113.20 1i2d n ARG 217 Ca -0.14 0.00 -0.27 0.00 -1.93 0.00 0.00 57.85 55.51 1i2d n ARG 217 Cb 0.45 -1.05 -0.02 0.00 -1.16 0.00 0.00 32.46 30.68 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 -0.44 -2.80 -4.49 5.56 1.13 -0.44 -4.96 117.38 110.94 1i2d n GLN 218 Ca 0.00 0.37 -0.23 0.00 -1.94 0.00 0.00 57.00 55.20 1i2d n GLN 218 Cb 0.03 -4.35 -0.11 0.00 0.11 0.00 0.00 30.24 25.92 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 -3.93 2.58 0.36 -1.58 0.00 -0.04 -4.81 121.76 114.34 1i2d s ALA 219 Ca 0.07 -2.10 0.00 0.00 0.00 0.00 0.00 51.96 49.93 1i2d s ALA 219 Cb -0.03 0.44 -0.03 0.00 0.00 0.00 0.00 23.12 23.50 1i2d s ALA 219 CO 0.90 -0.21 0.56 -0.80 0.00 0.00 0.00 175.76 176.20 1i2d s ASN 220 N -3.54 6.25 -0.16 0.00 0.01 -0.63 -4.62 114.94 112.26 1i2d s ASN 220 Ca 0.35 0.44 -0.07 0.00 -0.71 0.00 0.00 52.86 52.86 1i2d s ASN 220 Cb 0.08 -1.98 -0.04 0.00 0.41 0.00 0.00 41.25 39.72 1i2d s ASN 220 CO 0.16 -0.34 0.08 -0.69 -1.51 0.00 0.00 177.10 174.80 1i2d s VAL 221 N -2.34 5.00 -0.31 1.60 1.01 -0.25 -1.20 120.40 123.91 1i2d s VAL 221 Ca 0.41 0.03 -0.00 0.00 0.00 0.00 0.00 61.98 62.42 1i2d s VAL 221 Cb -0.10 -3.22 0.07 0.00 0.00 0.00 0.00 36.38 33.13 1i2d s VAL 221 CO 0.36 0.52 0.01 -0.22 0.00 0.00 0.00 175.10 175.77 1i2d s LEU 222 N -0.14 4.10 -0.41 3.92 2.96 -0.15 -0.89 118.68 128.07 1i2d s LEU 222 Ca 0.08 -1.50 -0.24 0.00 -0.22 0.00 0.00 54.13 52.24 1i2d s LEU 222 Cb -0.12 -1.69 0.02 0.00 0.50 0.00 0.00 46.19 44.90 1i2d s LEU 222 CO 0.01 -0.30 0.86 -0.63 -1.32 0.00 0.00 176.35 174.97 1i2d s ILE 223 N 1.17 4.60 -0.67 6.68 1.01 0.45 -0.84 121.20 133.60 1i2d s ILE 223 Ca -0.02 0.81 0.06 0.00 0.00 0.00 0.00 60.65 61.50 1i2d s ILE 223 Cb -0.20 -4.33 0.23 0.00 0.01 0.00 0.00 42.46 38.17 1i2d s ILE 223 CO -0.03 -0.64 0.68 1.57 0.00 0.00 0.00 174.94 176.52 1i2d n HIS 224 N 6.78 3.54 -2.47 3.97 -0.00 -0.72 -1.06 115.22 125.27 1i2d n HIS 224 Ca 0.05 -4.20 -0.33 0.00 0.46 0.00 0.00 57.72 53.70 1i2d n HIS 224 Cb 0.48 -0.59 -0.03 0.00 -0.12 0.00 0.00 29.99 29.73 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 -2.17 3.84 0.09 1.57 0.04 -1.23 -4.09 135.00 133.05 1i2d s PRO 225 Ca 0.35 1.17 -0.27 0.00 0.04 0.00 0.00 61.00 62.29 1i2d s PRO 225 Cb 0.09 -2.11 -0.06 0.00 0.04 0.00 0.00 34.50 32.46 1i2d s PRO 225 CO -0.06 -0.38 0.86 0.08 0.04 0.00 0.00 177.00 177.54 1i2d s VAL 226 N -2.28 4.58 0.00 -0.36 1.01 -0.37 -1.53 120.40 121.45 1i2d s VAL 226 Ca 0.63 1.84 0.00 0.00 0.00 0.00 0.00 61.98 64.46 1i2d s VAL 226 Cb -0.13 -4.21 0.00 0.00 0.00 0.00 0.00 36.38 32.04 1i2d s VAL 226 CO 0.25 0.36 0.30 0.52 0.00 0.00 0.00 175.10 176.52 1i2d n VAL 227 N 2.65 0.00 0.00 2.92 0.31 -0.36 -4.86 118.33 119.00 1i2d n VAL 227 Ca -0.01 -0.30 0.00 0.00 -0.01 0.00 0.00 64.34 64.03 1i2d n VAL 227 Cb 0.49 1.41 0.00 0.00 -0.91 0.00 0.00 33.84 34.83 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 -0.00 1.12 3.03 2.92 0.00 -1.19 -4.93 105.19 106.14 1i2d n GLY 228 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.89 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 -1.47 2.20 0.00 0.99 1.43 -0.46 -4.94 118.68 116.42 1i2d s LEU 229 Ca 0.00 -0.44 0.00 0.00 -1.03 0.00 0.00 54.13 52.66 1i2d s LEU 229 Cb 0.00 -0.17 0.00 0.00 0.03 0.00 0.00 46.19 46.05 1i2d s LEU 229 CO 0.00 -0.15 0.00 0.41 0.23 0.00 0.00 176.35 176.84 1i2d n THR 230 N 1.82 0.00 -2.01 5.49 -1.04 -1.26 -1.79 114.28 115.49 1i2d n THR 230 Ca -0.21 0.00 -0.38 0.00 -2.04 0.00 0.00 64.05 61.43 1i2d n THR 230 Cb 0.55 0.00 0.02 0.00 -1.82 0.00 0.00 70.33 69.08 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 0.50 3.46 0.26 -2.82 2.20 -1.26 -4.90 119.74 117.18 1i2d s LYS 231 Ca 0.00 2.03 -0.07 0.00 -0.36 0.00 0.00 55.97 57.56 1i2d s LYS 231 Cb 0.00 -2.35 0.43 0.00 -1.51 0.00 0.00 37.83 34.40 1i2d s LYS 231 CO 0.00 -0.87 1.44 -2.30 -0.36 0.00 0.00 175.35 173.25 1i2d n PRO 232 N -0.73 -0.08 -1.64 4.03 -0.02 -1.26 -2.82 135.00 132.48 1i2d n PRO 232 Ca 0.09 1.44 -0.27 0.00 -2.02 0.00 0.00 63.50 62.74 1i2d n PRO 232 Cb 0.46 -2.14 0.06 0.00 -0.02 0.00 0.00 33.50 31.86 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 -1.58 6.05 3.94 -1.23 0.00 -1.26 -5.04 105.19 106.07 1i2d n GLY 233 Ca 0.15 -2.39 -0.26 0.00 0.00 0.00 0.00 46.02 43.53 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 -2.80 4.69 0.20 1.61 -0.00 -1.13 -4.96 116.67 114.28 1i2d s ASP 234 Ca 0.56 0.34 -0.32 0.00 -0.00 0.00 0.00 52.55 53.13 1i2d s ASP 234 Cb 0.45 -0.94 -0.12 0.00 -0.00 0.00 0.00 42.92 42.31 1i2d s ASP 234 CO 0.02 -1.67 1.72 -0.38 -0.00 0.00 0.00 175.17 174.86 1i2d n ILE 235 N -2.93 0.01 -1.32 0.77 5.41 -1.26 -4.91 119.36 115.13 1i2d n ILE 235 Ca 0.09 -0.00 -0.37 0.00 1.00 0.00 0.00 62.75 63.47 1i2d n ILE 235 Cb 0.60 -1.97 0.05 0.00 -0.71 0.00 0.00 39.64 37.61 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 4.00 -1.71 0.21 4.38 5.68 -1.26 -4.73 116.55 123.12 1i2d n ASP 236 Ca 0.16 0.63 0.08 0.00 -0.50 0.00 0.00 54.79 55.16 1i2d n ASP 236 Cb 0.35 -1.13 0.45 0.00 -1.14 0.00 0.00 41.12 39.65 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 -0.14 0.00 -0.55 2.11 2.07 -1.91 -2.06 115.15 114.66 1i2d h HIS 237 Ca -0.45 0.00 -0.09 0.00 -2.85 0.00 0.00 60.37 56.98 1i2d h HIS 237 Cb 1.38 0.00 -0.02 0.00 2.57 0.00 0.00 27.41 31.34 1i2d h HIS 237 CO 0.31 0.29 -0.01 0.74 -3.07 0.00 0.00 177.93 176.18 1i2d h PHE 238 N 0.00 1.07 -0.56 6.12 -1.00 -1.97 0.19 116.94 120.78 1i2d h PHE 238 Ca -0.00 -0.19 -0.05 0.00 2.81 0.00 0.00 57.97 60.53 1i2d h PHE 238 Cb 0.71 -0.28 -0.02 0.00 3.61 0.00 0.00 35.95 39.97 1i2d h PHE 238 CO 0.00 0.97 0.14 1.15 -1.61 0.00 0.00 178.31 178.96 1i2d h THR 239 N 0.85 1.25 -0.64 -1.55 2.02 -1.87 -1.61 112.91 111.36 1i2d h THR 239 Ca 0.15 -0.88 -0.04 0.00 0.77 0.00 0.00 66.41 66.41 1i2d h THR 239 Cb 0.56 0.75 -0.03 0.00 -1.74 0.00 0.00 68.15 67.69 1i2d h THR 239 CO 0.03 0.33 0.25 0.03 0.37 0.00 0.00 175.52 176.53 1i2d h ARG 240 N 0.80 0.96 -0.57 6.66 3.08 -1.06 0.38 114.38 124.62 1i2d h ARG 240 Ca 0.18 -0.18 -0.06 0.00 0.07 0.00 0.00 59.98 59.98 1i2d h ARG 240 Cb 0.34 -0.15 -0.02 0.00 0.08 0.00 0.00 29.97 30.21 1i2d h ARG 240 CO 0.00 0.81 0.10 0.28 -1.07 0.00 0.00 179.97 180.09 1i2d h VAL 241 N 0.90 1.24 -0.73 2.04 2.07 -0.48 0.58 116.25 121.88 1i2d h VAL 241 Ca 0.21 -0.93 -0.02 0.00 0.82 0.00 0.00 66.70 66.78 1i2d h VAL 241 Cb 0.21 0.70 -0.03 0.00 -1.52 0.00 0.00 31.29 30.64 1i2d h VAL 241 CO -0.02 0.34 0.39 -0.09 0.02 0.00 0.00 177.57 178.22 1i2d h ARG 242 N 0.87 1.03 -0.41 1.57 2.43 -1.00 0.13 114.38 119.00 1i2d h ARG 242 Ca 0.18 -0.13 -0.10 0.00 -0.81 0.00 0.00 59.98 59.13 1i2d h ARG 242 Cb 0.37 -0.20 -0.01 0.00 -0.42 0.00 0.00 29.97 29.71 1i2d h ARG 242 CO 0.01 0.78 -0.12 0.00 -1.51 0.00 0.00 179.97 179.12 1i2d h ALA 243 N 1.20 0.56 -0.47 2.80 0.00 0.51 -2.02 119.26 121.84 1i2d h ALA 243 Ca 0.26 -0.33 -0.00 0.00 0.00 0.00 0.00 54.91 54.83 1i2d h ALA 243 Cb 0.06 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 1i2d h ALA 243 CO -0.04 0.46 0.28 1.88 0.00 0.00 0.00 179.25 181.82 1i2d h TYR 244 N 0.62 0.63 -0.15 0.00 0.99 0.55 -2.12 116.97 117.48 1i2d h TYR 244 Ca 0.10 -0.01 -0.00 0.00 2.00 0.00 0.00 58.73 60.82 1i2d h TYR 244 Cb 0.66 -0.20 -0.01 0.00 1.00 0.00 0.00 36.73 38.17 1i2d h TYR 244 CO 0.05 0.45 0.08 1.96 -0.00 0.00 0.00 178.16 180.70 1i2d h GLN 245 N 0.62 0.21 0.00 4.88 4.20 -0.63 -0.96 115.11 123.43 1i2d h GLN 245 Ca 0.17 -0.02 -0.03 0.00 0.06 0.00 0.00 58.65 58.84 1i2d h GLN 245 Cb 0.01 -0.04 -0.00 0.00 0.30 0.00 0.00 27.48 27.74 1i2d h GLN 245 CO -0.03 0.16 -0.12 0.00 -0.67 0.00 0.00 178.83 178.16 1i2d h ALA 246 N 1.88 1.04 0.10 3.87 0.00 -0.70 -3.20 119.26 122.27 1i2d h ALA 246 Ca 0.06 -0.11 -0.31 0.00 0.00 0.00 0.00 54.91 54.54 1i2d h ALA 246 Cb 0.01 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 1i2d h ALA 246 CO -0.01 0.15 -1.61 1.25 0.00 0.00 0.00 179.25 179.03 1i2d h LEU 247 N 0.00 0.34 -0.94 0.00 5.85 -0.85 -3.40 115.31 116.30 1i2d h LEU 247 Ca -0.00 -0.53 0.16 0.00 0.84 0.00 0.00 57.88 58.35 1i2d h LEU 247 Cb 0.59 -0.11 -0.16 0.00 0.37 0.00 0.00 40.66 41.35 1i2d h LEU 247 CO 0.02 1.45 -0.33 0.18 -0.34 0.00 0.00 178.44 179.41 1i2d n LEU 248 N -3.41 -0.54 0.00 2.25 4.77 -0.93 0.01 117.00 119.15 1i2d n LEU 248 Ca -0.18 1.64 0.00 0.00 -0.03 0.00 0.00 56.01 57.44 1i2d n LEU 248 Cb 1.04 -0.41 0.00 0.00 -2.33 0.00 0.00 43.42 41.73 1i2d n LEU 248 CO 0.49 -1.50 0.50 -2.65 -1.33 0.00 0.00 177.39 172.89 1i2d n PRO 249 N -5.43 0.00 -0.01 3.23 -0.02 -1.26 -0.91 135.00 130.60 1i2d n PRO 249 Ca 0.11 0.36 0.14 0.00 -2.02 0.00 0.00 63.50 62.10 1i2d n PRO 249 Cb 0.40 -1.63 0.70 0.00 -0.02 0.00 0.00 33.50 32.95 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 -1.36 1.32 -4.14 -0.52 5.12 0.10 -4.82 116.66 112.36 1i2d n ARG 250 Ca 0.00 -0.47 -0.25 0.00 -1.93 0.00 0.00 57.85 55.20 1i2d n ARG 250 Cb 0.13 -1.46 -0.06 0.00 -1.16 0.00 0.00 32.46 29.91 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 -1.98 3.03 0.45 -1.55 1.51 -0.08 -5.07 117.35 113.65 1i2d s TYR 251 Ca 0.41 -0.08 -0.24 0.00 -1.01 0.00 0.00 57.07 56.14 1i2d s TYR 251 Cb 0.20 -1.43 -0.08 0.00 -0.11 0.00 0.00 41.96 40.55 1i2d s TYR 251 CO 0.33 0.53 1.28 -1.25 -1.11 0.00 0.00 175.55 175.33 1i2d s PRO 252 N -3.23 3.74 0.07 -1.71 0.04 -1.26 -4.84 135.00 127.81 1i2d s PRO 252 Ca 0.30 2.07 -0.29 0.00 0.04 0.00 0.00 61.00 63.13 1i2d s PRO 252 Cb -0.09 -2.56 -0.15 0.00 0.04 0.00 0.00 34.50 31.73 1i2d s PRO 252 CO 0.22 -0.65 0.69 0.09 0.04 0.00 0.00 177.00 177.39 1i2d n ASN 253 N -0.28 -0.44 -3.09 6.66 3.02 -1.26 -2.12 115.26 117.77 1i2d n ASN 253 Ca 0.06 0.94 -0.22 0.00 -0.03 0.00 0.00 54.58 55.33 1i2d n ASN 253 Cb 0.45 -0.77 0.02 0.00 -0.61 0.00 0.00 39.78 38.88 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 1.41 -0.51 0.05 7.41 0.00 -1.26 -4.87 105.19 107.41 1i2d n GLY 254 Ca 0.16 0.11 -0.04 0.00 0.00 0.00 0.00 46.02 46.25 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 -3.88 2.05 -4.36 1.61 1.56 -0.90 -5.00 117.12 108.20 1i2d n MET 255 Ca -0.09 -0.01 -0.24 0.00 -0.27 0.00 0.00 57.70 57.08 1i2d n MET 255 Cb 0.60 -1.28 -0.12 0.00 2.15 0.00 0.00 33.22 34.57 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 -2.31 2.16 -0.01 -5.12 0.00 -1.26 -1.08 121.76 114.13 1i2d s ALA 256 Ca -0.05 -1.49 0.03 0.00 0.00 0.00 0.00 51.96 50.45 1i2d s ALA 256 Cb 0.04 -0.26 -0.01 0.00 0.00 0.00 0.00 23.12 22.89 1i2d s ALA 256 CO 0.45 0.34 -0.10 0.08 0.00 0.00 0.00 175.76 176.53 1i2d s VAL 257 N -1.68 0.80 -0.17 0.00 1.01 -0.06 -4.96 120.40 115.33 1i2d s VAL 257 Ca 0.15 -0.42 -0.07 0.00 0.00 0.00 0.00 61.98 61.64 1i2d s VAL 257 Cb -0.08 -0.67 -0.04 0.00 0.00 0.00 0.00 36.38 35.59 1i2d s VAL 257 CO 0.07 0.23 0.05 -0.22 0.00 0.00 0.00 175.10 175.23 1i2d s LEU 258 N -0.18 3.80 -0.07 3.92 2.96 -1.26 -0.41 118.68 127.44 1i2d s LEU 258 Ca 0.03 0.10 -0.05 0.00 -0.22 0.00 0.00 54.13 53.99 1i2d s LEU 258 Cb -0.05 -1.94 0.02 0.00 0.50 0.00 0.00 46.19 44.72 1i2d s LEU 258 CO -0.00 0.21 0.17 -0.83 -1.32 0.00 0.00 176.35 174.58 1i2d s GLY 259 N 0.13 -0.11 0.07 7.98 0.00 -0.22 -4.91 107.32 110.25 1i2d s GLY 259 Ca 0.04 0.57 -0.11 0.00 0.00 0.00 0.00 44.72 45.23 1i2d s GLY 259 CO 0.01 0.60 0.40 1.08 0.00 0.00 0.00 173.10 175.19 1i2d s LEU 260 N 0.40 4.37 -0.16 0.66 1.43 0.14 -3.50 118.68 122.02 1i2d s LEU 260 Ca -0.03 0.82 0.00 0.00 -1.03 0.00 0.00 54.13 53.90 1i2d s LEU 260 Cb -0.04 -2.91 0.00 0.00 0.03 0.00 0.00 46.19 43.27 1i2d s LEU 260 CO -0.02 0.20 -0.16 -0.22 0.23 0.00 0.00 176.35 176.38 1i2d s LEU 261 N -1.77 2.44 0.00 1.79 2.96 -0.58 -3.86 118.68 119.66 1i2d s LEU 261 Ca 0.31 -0.49 0.00 0.00 -0.22 0.00 0.00 54.13 53.73 1i2d s LEU 261 Cb -0.14 -1.56 0.00 0.00 0.50 0.00 0.00 46.19 44.99 1i2d s LEU 261 CO 0.17 0.07 0.78 0.61 -1.32 0.00 0.00 176.35 176.66 1i2d n GLY 262 N 4.15 1.43 3.79 7.98 0.00 -1.26 -1.22 105.19 120.06 1i2d n GLY 262 Ca -0.19 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.48 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 3.94 -0.74 0.99 2.96 -1.26 -4.47 118.68 120.11 1i2d s LEU 263 Ca 0.00 2.00 -0.06 0.00 -0.22 0.00 0.00 54.13 55.85 1i2d s LEU 263 Cb 0.00 -4.42 0.19 0.00 0.50 0.00 0.00 46.19 42.46 1i2d s LEU 263 CO 0.00 -0.73 0.60 0.00 -1.32 0.00 0.00 176.35 174.90 1i2d s ALA 264 N -1.84 3.85 0.87 5.97 0.00 -1.26 -1.36 121.76 127.99 1i2d s ALA 264 Ca 0.64 -3.39 -0.14 0.00 0.00 0.00 0.00 51.96 49.08 1i2d s ALA 264 Cb -0.19 -2.96 0.02 0.00 0.00 0.00 0.00 23.12 19.99 1i2d s ALA 264 CO 0.24 -2.17 0.52 -1.33 0.00 0.00 0.00 175.76 173.02 1i2d n MET 265 N 3.43 -0.07 -0.00 0.00 2.81 -0.74 -4.88 117.12 117.66 1i2d n MET 265 Ca 0.12 0.03 0.01 0.00 -1.81 0.00 0.00 57.70 56.04 1i2d n MET 265 Cb 0.40 -1.90 -0.01 0.00 -0.71 0.00 0.00 33.22 31.00 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 -1.57 0.41 -2.69 0.03 3.00 -1.26 -4.72 116.66 109.86 1i2d n ARG 266 Ca 0.08 -0.01 -0.08 0.00 -0.01 0.00 0.00 57.85 57.84 1i2d n ARG 266 Cb 0.52 -1.00 0.03 0.00 0.00 0.00 0.00 32.46 32.01 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 -1.51 -2.81 -0.65 5.56 2.81 -1.26 -3.86 117.12 115.39 1i2d n MET 267 Ca -0.00 0.33 -0.05 0.00 -1.81 0.00 0.00 57.70 56.17 1i2d n MET 267 Cb 0.03 -3.84 0.18 0.00 -0.71 0.00 0.00 33.22 28.88 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 -1.07 2.96 6.23 3.03 0.00 -1.21 -4.37 105.19 110.76 1i2d n GLY 268 Ca -0.08 -0.62 0.00 0.00 0.00 0.00 0.00 46.02 45.33 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 -0.05 1.94 0.28 -0.02 0.00 -0.60 -1.50 105.19 105.24 1i2d n GLY 269 Ca 0.27 0.24 0.03 0.00 0.00 0.00 0.00 46.02 46.56 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 0.04 -0.26 1.61 0.11 -1.90 0.22 132.00 131.82 1i2d h PRO 270 Ca 0.00 -0.00 -0.05 0.00 0.11 0.00 0.00 66.00 66.06 1i2d h PRO 270 Cb 0.00 -0.01 -0.01 0.00 0.11 0.00 0.00 31.00 31.09 1i2d h PRO 270 CO 0.00 0.03 -0.04 0.00 -0.21 0.00 0.00 178.00 177.78 1i2d h ARG 271 N 0.04 0.49 -0.51 1.05 3.08 -1.59 -2.22 114.38 114.73 1i2d h ARG 271 Ca 0.38 -0.17 0.10 0.00 0.07 0.00 0.00 59.98 60.36 1i2d h ARG 271 Cb 0.64 -0.03 -0.03 0.00 0.08 0.00 0.00 29.97 30.62 1i2d h ARG 271 CO -0.72 0.68 0.35 1.49 -1.07 0.00 0.00 179.97 180.70 1i2d h GLU 272 N 0.25 0.26 -0.31 0.04 4.81 -0.83 -0.24 114.58 118.57 1i2d h GLU 272 Ca 0.07 -0.02 -0.02 0.00 -0.13 0.00 0.00 59.36 59.27 1i2d h GLU 272 Cb 0.49 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 29.79 1i2d h GLU 272 CO 0.02 0.18 0.13 0.00 -0.73 0.00 0.00 179.01 178.60 1i2d h ALA 273 N 1.74 0.40 0.17 2.92 0.00 -0.06 0.38 119.26 124.80 1i2d h ALA 273 Ca 0.24 -0.12 -0.00 0.00 0.00 0.00 0.00 54.91 55.02 1i2d h ALA 273 Cb 0.58 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 1i2d h ALA 273 CO -0.05 -0.01 -0.13 0.82 0.00 0.00 0.00 179.25 179.88 1i2d h ILE 274 N 0.35 0.71 -0.65 0.00 2.04 -0.67 -1.43 117.51 117.87 1i2d h ILE 274 Ca 0.10 0.00 0.14 0.00 1.00 0.00 0.00 64.86 66.10 1i2d h ILE 274 Cb 0.17 0.71 -0.11 0.00 -0.74 0.00 0.00 36.82 36.86 1i2d h ILE 274 CO -0.01 0.00 0.00 -0.25 0.00 0.00 0.00 178.15 177.89 1i2d h TRP 275 N -0.31 -0.04 -0.83 1.37 7.01 -0.91 -1.11 115.95 121.13 1i2d h TRP 275 Ca -0.01 0.05 -0.01 0.00 2.11 0.00 0.00 58.89 61.03 1i2d h TRP 275 Cb 0.28 0.12 -0.04 0.00 -2.10 0.00 0.00 29.16 27.42 1i2d h TRP 275 CO -0.11 -0.18 0.49 0.45 -2.79 0.00 0.00 178.44 176.30 1i2d h HIS 276 N 0.12 1.10 -0.76 2.65 3.86 0.54 -0.79 115.15 121.86 1i2d h HIS 276 Ca 0.34 -0.01 -0.01 0.00 -1.16 0.00 0.00 60.37 59.54 1i2d h HIS 276 Cb 0.56 -0.36 -0.04 0.00 1.06 0.00 0.00 27.41 28.64 1i2d h HIS 276 CO -0.38 0.74 0.44 0.00 0.86 0.00 0.00 177.93 179.59 1i2d h ALA 277 N 1.39 0.97 -0.06 2.45 0.00 -0.21 0.17 119.26 123.98 1i2d h ALA 277 Ca 0.30 -0.10 -0.00 0.00 0.00 0.00 0.00 54.91 55.10 1i2d h ALA 277 Cb -0.03 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 17.45 1i2d h ALA 277 CO -0.05 0.46 0.03 0.82 0.00 0.00 0.00 179.25 180.50 1i2d h ILE 278 N 1.05 1.12 -0.43 0.00 2.04 -0.66 -0.37 117.51 120.26 1i2d h ILE 278 Ca 0.27 -0.34 0.00 0.00 1.00 0.00 0.00 64.86 65.79 1i2d h ILE 278 Cb -0.00 1.25 -0.02 0.00 -0.74 0.00 0.00 36.82 37.30 1i2d h ILE 278 CO -0.05 0.10 0.27 0.40 0.00 0.00 0.00 178.15 178.87 1i2d h ILE 279 N -0.04 1.13 -0.13 -0.67 2.04 -0.79 0.84 117.51 119.88 1i2d h ILE 279 Ca 0.02 -0.27 -0.07 0.00 1.00 0.00 0.00 64.86 65.54 1i2d h ILE 279 Cb 0.13 0.54 -0.01 0.00 -0.74 0.00 0.00 36.82 36.74 1i2d h ILE 279 CO -0.00 0.13 -0.22 0.03 0.00 0.00 0.00 178.15 178.08 1i2d h ARG 280 N 0.57 0.22 -0.13 2.37 -0.00 -0.60 -1.31 114.38 115.51 1i2d h ARG 280 Ca 0.15 -0.07 -0.01 0.00 -0.50 0.00 0.00 59.98 59.56 1i2d h ARG 280 Cb -0.03 -0.02 -0.01 0.00 0.00 0.00 0.00 29.97 29.91 1i2d h ARG 280 CO -0.03 0.44 0.04 -0.22 0.00 0.00 0.00 179.97 180.20 1i2d h LYS 281 N 0.20 0.20 -0.68 0.04 3.64 -0.01 -0.62 116.57 119.34 1i2d h LYS 281 Ca 0.04 -0.04 0.06 0.00 -1.27 0.00 0.00 60.65 59.43 1i2d h LYS 281 Cb 0.51 -0.03 -0.04 0.00 -0.41 0.00 0.00 32.23 32.26 1i2d h LYS 281 CO 0.03 0.33 0.45 -0.91 -2.27 0.00 0.00 179.45 177.09 1i2d h ASN 282 N 0.02 0.63 0.35 4.20 2.35 -0.40 0.23 115.58 122.96 1i2d h ASN 282 Ca 0.04 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.79 1i2d h ASN 282 Cb 0.22 -0.13 0.00 0.00 0.05 0.00 0.00 38.32 38.45 1i2d h ASN 282 CO -0.00 0.41 0.00 1.41 -1.65 0.00 0.00 177.43 177.60 1i2d n HIS 283 N -4.48 0.00 -0.12 1.19 8.25 -0.54 -4.80 115.22 114.73 1i2d n HIS 283 Ca 0.10 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.56 1i2d n HIS 283 Cb 0.21 -0.22 0.00 0.00 1.12 0.00 0.00 29.99 31.11 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 0.74 0.94 3.75 -1.41 0.00 0.81 -4.24 105.19 105.78 1i2d n GLY 284 Ca 0.13 -0.03 -0.40 0.00 0.00 0.00 0.00 46.02 45.72 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 3.36 -0.11 4.61 0.00 -0.30 -3.45 121.76 123.86 1i2d s ALA 285 Ca 0.00 0.42 0.15 0.00 0.00 0.00 0.00 51.96 52.52 1i2d s ALA 285 Cb 0.00 -3.08 -0.03 0.00 0.00 0.00 0.00 23.12 20.01 1i2d s ALA 285 CO 0.00 0.13 1.22 1.79 0.00 0.00 0.00 175.76 178.90 1i2d h THR 286 N 3.73 0.84 -3.92 0.00 1.35 -1.54 -3.40 112.91 109.97 1i2d h THR 286 Ca -0.45 -2.28 -0.20 0.00 -0.55 0.00 0.00 66.41 62.92 1i2d h THR 286 Cb 1.21 2.35 -0.15 0.00 -1.73 0.00 0.00 68.15 69.82 1i2d h THR 286 CO 0.69 0.48 -0.70 -1.00 -0.25 0.00 0.00 175.52 174.74 1i2d s HIS 287 N -2.92 0.79 -0.14 4.73 3.76 -0.18 -1.72 115.29 119.61 1i2d s HIS 287 Ca 0.01 -0.91 -0.06 0.00 -0.15 0.00 0.00 55.06 53.96 1i2d s HIS 287 Cb 0.08 -0.48 0.06 0.00 1.11 0.00 0.00 32.58 33.36 1i2d s HIS 287 CO 0.78 -0.20 0.30 0.12 -0.85 0.00 0.00 174.74 174.89 1i2d s PHE 288 N -3.50 -0.48 0.17 1.40 5.36 -0.36 -0.75 117.98 119.84 1i2d s PHE 288 Ca 0.09 1.04 -0.30 0.00 -0.96 0.00 0.00 56.93 56.80 1i2d s PHE 288 Cb 0.05 0.06 -0.08 0.00 -0.34 0.00 0.00 43.02 42.71 1i2d s PHE 288 CO -0.05 -0.35 1.13 0.42 -1.46 0.00 0.00 175.22 174.91 1i2d s ILE 289 N 2.12 3.80 -0.06 3.12 1.01 -0.89 -1.77 121.20 128.53 1i2d s ILE 289 Ca -0.02 1.53 -0.00 0.00 0.00 0.00 0.00 60.65 62.15 1i2d s ILE 289 Cb -0.11 -3.98 0.03 0.00 0.01 0.00 0.00 42.46 38.41 1i2d s ILE 289 CO -0.10 0.25 -0.02 -0.69 0.00 0.00 0.00 174.94 174.39 1i2d s VAL 290 N -0.14 0.43 0.00 2.92 1.01 -0.30 -4.66 120.40 119.66 1i2d s VAL 290 Ca 0.51 0.02 0.00 0.00 0.00 0.00 0.00 61.98 62.51 1i2d s VAL 290 Cb -0.30 -0.53 0.00 0.00 0.00 0.00 0.00 36.38 35.55 1i2d s VAL 290 CO 0.35 0.24 0.00 0.61 0.00 0.00 0.00 175.10 176.30 1i2d n GLY 291 N 4.66 5.73 3.74 4.51 0.00 -1.26 -2.56 105.19 120.02 1i2d n GLY 291 Ca -0.15 -1.86 -0.41 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 1.75 4.46 -1.50 1.61 3.52 -1.25 -3.54 118.95 124.01 1i2d s ARG 292 Ca 0.00 1.95 0.00 0.00 -0.13 0.00 0.00 55.73 57.55 1i2d s ARG 292 Cb 0.00 -3.21 0.00 0.00 -1.56 0.00 0.00 34.95 30.18 1i2d s ARG 292 CO 0.00 -0.12 0.00 -0.25 -0.81 0.00 0.00 175.30 174.12 1i2d n ASP 293 N 2.28 -4.80 -4.55 -2.12 8.00 -1.26 -4.89 116.55 109.20 1i2d n ASP 293 Ca 0.04 0.16 -0.51 0.00 0.71 0.00 0.00 54.79 55.19 1i2d n ASP 293 Cb 0.44 -4.10 -0.05 0.00 -0.02 0.00 0.00 41.12 37.40 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 -3.36 1.07 -1.55 1.24 -0.00 -1.23 -0.74 115.22 110.65 1i2d n HIS 294 Ca -0.19 0.76 -0.08 0.00 -0.00 0.00 0.00 57.72 58.20 1i2d n HIS 294 Cb 0.63 -2.23 -0.03 0.00 -0.00 0.00 0.00 29.99 28.36 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 1.50 -0.31 -2.31 1.57 0.00 -1.26 -4.33 120.51 115.37 1i2d n ALA 295 Ca 0.16 0.12 -0.37 0.00 0.00 0.00 0.00 53.44 53.35 1i2d n ALA 295 Cb 0.21 -1.02 -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 2.56 -0.35 0.00 0.00 0.09 -1.56 107.32 106.28 1i2d s GLY 296 Ca 0.00 -0.05 0.04 0.00 0.00 0.00 0.00 44.72 44.71 1i2d s GLY 296 CO 0.00 0.30 1.72 -1.55 0.00 0.00 0.00 173.10 173.57 1i2d n PRO 297 N 1.20 2.12 0.00 2.90 -0.04 -1.26 -4.99 135.00 134.93 1i2d n PRO 297 Ca -0.07 -2.41 0.00 0.00 -0.04 0.00 0.00 63.50 60.98 1i2d n PRO 297 Cb 0.51 -1.95 0.00 0.00 -0.04 0.00 0.00 33.50 32.02 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 -0.74 1.11 3.18 0.55 0.00 -1.26 -4.90 105.19 103.13 1i2d n GLY 298 Ca 0.46 -0.63 -0.15 0.00 0.00 0.00 0.00 46.02 45.70 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 1.53 0.83 1.61 1.04 -1.26 -2.40 113.70 111.04 1i2d s SER 299 Ca 0.00 -0.77 0.00 0.00 0.48 0.00 0.00 55.95 55.66 1i2d s SER 299 Cb 0.00 -0.01 0.00 0.00 0.10 0.00 0.00 66.02 66.11 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 0.72 -0.22 -0.10 7.02 0.23 0.12 -4.89 115.26 118.15 1i2d n ASN 300 Ca -0.17 -0.72 -0.13 0.00 -0.53 0.00 0.00 54.58 53.03 1i2d n ASN 300 Cb 0.57 0.00 -0.04 0.00 -2.08 0.00 0.00 39.78 38.23 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 -0.22 0.80 0.00 0.53 0.87 -1.97 -2.48 113.55 111.08 1i2d h SER 301 Ca 0.00 -0.46 0.00 0.00 -1.23 0.00 0.00 61.79 60.10 1i2d h SER 301 Cb 0.00 -0.23 0.00 0.00 -0.44 0.00 0.00 62.40 61.73 1i2d h SER 301 CO 0.00 1.10 0.00 0.29 -0.53 0.00 0.00 176.83 177.69 1i2d n LYS 302 N -4.23 0.66 -0.77 2.24 4.01 -1.26 -4.81 118.16 114.01 1i2d n LYS 302 Ca -0.03 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.77 1i2d n LYS 302 Cb 0.48 -1.24 0.00 0.00 -0.51 0.00 0.00 35.03 33.76 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 0.17 0.49 3.70 0.72 0.00 -0.93 -4.98 105.19 104.34 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 -0.53 4.41 -0.14 1.61 4.04 -1.26 -4.70 118.70 122.13 1i2d s GLU 304 Ca 0.00 1.00 -0.22 0.00 0.04 0.00 0.00 54.97 55.79 1i2d s GLU 304 Cb 0.00 -3.49 -0.03 0.00 0.02 0.00 0.00 34.13 30.63 1i2d s GLU 304 CO 0.00 -0.09 0.66 0.16 -1.84 0.00 0.00 175.26 174.15 1i2d s ASP 305 N 0.96 6.83 0.24 0.83 1.47 -1.26 0.15 116.67 125.88 1i2d s ASP 305 Ca 0.40 1.00 -0.01 0.00 1.18 0.00 0.00 52.55 55.12 1i2d s ASP 305 Cb -0.18 -2.38 0.52 0.00 -0.34 0.00 0.00 42.92 40.55 1i2d s ASP 305 CO 0.18 -0.19 1.24 0.49 0.68 0.00 0.00 175.17 177.56 1i2d n PHE 306 N 4.42 0.43 -4.32 2.11 3.01 -1.01 -4.53 117.46 117.57 1i2d n PHE 306 Ca -0.01 0.96 -0.17 0.00 1.01 0.00 0.00 57.45 59.24 1i2d n PHE 306 Cb 0.50 -1.05 -0.10 0.00 -0.01 0.00 0.00 39.48 38.82 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 -5.82 1.51 0.38 1.38 1.51 -1.26 -5.00 117.35 110.05 1i2d s TYR 307 Ca -0.11 -0.94 0.00 0.00 -1.01 0.00 0.00 57.07 55.02 1i2d s TYR 307 Cb 0.23 -0.87 -0.03 0.00 -0.11 0.00 0.00 41.96 41.18 1i2d s TYR 307 CO 0.62 -0.06 0.58 0.20 -1.11 0.00 0.00 175.55 175.78 1i2d s GLY 308 N -3.29 1.40 0.94 0.71 0.00 -1.26 -5.02 107.32 100.81 1i2d s GLY 308 Ca 0.28 -0.95 -0.10 0.00 0.00 0.00 0.00 44.72 43.95 1i2d s GLY 308 CO 0.08 -0.85 1.13 -4.14 0.00 0.00 0.00 173.10 169.32 1i2d s PRO 309 N -4.38 0.78 0.00 2.90 0.02 -1.26 -2.54 135.00 130.52 1i2d s PRO 309 Ca 0.42 1.45 0.00 0.00 0.02 0.00 0.00 61.00 62.90 1i2d s PRO 309 Cb -0.10 -1.71 0.00 0.00 0.02 0.00 0.00 34.50 32.72 1i2d s PRO 309 CO 0.37 -2.76 0.00 0.66 -0.33 0.00 0.00 177.00 174.93 1i2d n TYR 310 N -4.32 0.00 -0.19 6.54 4.02 -1.26 -4.73 117.16 117.23 1i2d n TYR 310 Ca 0.11 0.00 -0.04 0.00 -0.01 0.00 0.00 57.90 57.96 1i2d n TYR 310 Cb 0.52 -0.93 0.06 0.00 -0.02 0.00 0.00 39.34 38.97 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 0.44 -0.44 7.72 3.32 -1.87 -0.03 116.42 125.56 1i2d h ASP 311 Ca 0.00 0.02 0.10 0.00 0.02 0.00 0.00 57.03 57.17 1i2d h ASP 311 Cb 0.00 -0.06 -0.02 0.00 0.22 0.00 0.00 39.33 39.47 1i2d h ASP 311 CO 0.00 0.30 0.31 0.00 -1.72 0.00 0.00 179.24 178.13 1i2d h ALA 312 N 1.29 2.22 -0.25 3.45 0.00 -1.85 0.29 119.26 124.40 1i2d h ALA 312 Ca 0.24 -0.01 -0.09 0.00 0.00 0.00 0.00 54.91 55.04 1i2d h ALA 312 Cb 0.12 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 1i2d h ALA 312 CO -0.15 -0.33 -0.25 1.96 0.00 0.00 0.00 179.25 180.48 1i2d h GLN 313 N 0.14 0.48 0.21 0.00 4.20 -1.31 -1.42 115.11 117.42 1i2d h GLN 313 Ca 0.20 -0.18 -0.01 0.00 0.06 0.00 0.00 58.65 58.72 1i2d h GLN 313 Cb 0.62 -0.03 0.00 0.00 0.30 0.00 0.00 27.48 28.38 1i2d h GLN 313 CO -0.03 0.70 -0.10 0.45 -0.67 0.00 0.00 178.83 179.18 1i2d h HIS 314 N 0.43 -0.26 -0.22 2.96 3.86 -0.71 -2.25 115.15 118.97 1i2d h HIS 314 Ca 0.06 -0.01 0.04 0.00 -1.16 0.00 0.00 60.37 59.31 1i2d h HIS 314 Cb 0.66 0.08 -0.04 0.00 1.06 0.00 0.00 27.41 29.17 1i2d h HIS 314 CO 0.02 0.12 -0.06 0.00 0.86 0.00 0.00 177.93 178.87 1i2d h ALA 315 N -0.06 0.13 0.00 2.45 0.00 -1.09 0.20 119.26 120.89 1i2d h ALA 315 Ca -0.03 0.08 -0.00 0.00 0.00 0.00 0.00 54.91 54.96 1i2d h ALA 315 Cb 0.49 0.18 -0.00 0.00 0.00 0.00 0.00 17.79 18.46 1i2d h ALA 315 CO 0.05 -0.48 -0.02 -0.24 0.00 0.00 0.00 179.25 178.55 1i2d h VAL 316 N -0.02 0.17 -0.05 0.00 3.04 -1.29 -1.09 116.25 117.02 1i2d h VAL 316 Ca 0.11 -0.17 -0.11 0.00 -1.01 0.00 0.00 66.70 65.52 1i2d h VAL 316 Cb 0.18 1.14 0.01 0.00 -2.01 0.00 0.00 31.29 30.60 1i2d h VAL 316 CO -0.23 0.02 -0.38 -0.08 -1.01 0.00 0.00 177.57 175.88 1i2d h GLU 317 N 0.00 0.36 -1.42 4.17 4.57 -0.12 -3.19 114.58 118.94 1i2d h GLU 317 Ca -0.00 -0.31 0.41 0.00 -1.18 0.00 0.00 59.36 58.28 1i2d h GLU 317 Cb 0.14 0.07 -0.06 0.00 -0.16 0.00 0.00 28.75 28.74 1i2d h GLU 317 CO 0.00 0.96 1.13 -0.22 -1.18 0.00 0.00 179.01 179.70 1i2d h LYS 318 N -0.15 0.00 -0.16 1.92 1.63 0.57 0.60 116.57 120.98 1i2d h LYS 318 Ca -0.03 0.00 -0.06 0.00 -0.85 0.00 0.00 60.65 59.71 1i2d h LYS 318 Cb 1.05 0.00 -0.03 0.00 -0.60 0.00 0.00 32.23 32.65 1i2d h LYS 318 CO 0.08 0.00 -0.15 0.66 -3.45 0.00 0.00 179.45 176.59 1i2d n TYR 319 N -3.86 0.52 -0.33 1.91 4.02 -1.21 -4.78 117.16 113.43 1i2d n TYR 319 Ca 0.31 -1.30 0.26 0.00 -0.01 0.00 0.00 57.90 57.17 1i2d n TYR 319 Cb 1.57 -0.32 0.51 0.00 -0.02 0.00 0.00 39.34 41.08 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 0.91 0.22 0.00 -0.72 1.57 0.20 0.23 116.57 118.99 1i2d h LYS 320 Ca 0.07 -0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 58.83 1i2d h LYS 320 Cb 1.29 -0.05 -0.00 0.00 0.08 0.00 0.00 32.23 33.55 1i2d h LYS 320 CO 0.17 0.15 -0.05 -0.44 -0.57 0.00 0.00 179.45 178.70 1i2d h ASP 321 N 0.23 0.00 0.00 0.86 3.32 -1.86 -3.33 116.42 115.64 1i2d h ASP 321 Ca 0.77 0.00 -0.08 0.00 0.02 0.00 0.00 57.03 57.74 1i2d h ASP 321 Cb 1.84 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 41.38 1i2d h ASP 321 CO -0.65 0.05 -1.88 -0.62 -1.72 0.00 0.00 179.24 174.42 1i2d n GLU 322 N -3.12 0.74 -3.02 3.56 1.02 0.68 -4.86 120.64 115.63 1i2d n GLU 322 Ca 0.03 -0.12 -0.42 0.00 -0.02 0.00 0.00 57.16 56.63 1i2d n GLU 322 Cb 0.49 -1.42 -0.06 0.00 -0.02 0.00 0.00 31.44 30.43 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 -4.47 4.17 -0.00 -4.62 1.43 -0.44 -4.91 118.68 109.85 1i2d s LEU 323 Ca -0.07 0.32 -0.05 0.00 -1.03 0.00 0.00 54.13 53.30 1i2d s LEU 323 Cb 0.10 -2.93 -0.23 0.00 0.03 0.00 0.00 46.19 43.16 1i2d s LEU 323 CO 0.71 -0.65 3.38 0.61 0.23 0.00 0.00 176.35 180.63 1i2d n GLY 324 N 4.54 2.93 3.46 -3.19 0.00 -1.26 -4.76 105.19 106.91 1i2d n GLY 324 Ca 0.01 -1.03 -0.11 0.00 0.00 0.00 0.00 46.02 44.89 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 0.83 -0.01 -0.33 -0.61 2.07 -1.26 -4.88 121.20 117.02 1i2d s ILE 325 Ca 0.57 0.02 -0.29 0.00 -1.41 0.00 0.00 60.65 59.54 1i2d s ILE 325 Cb 0.27 -0.80 0.01 0.00 0.13 0.00 0.00 42.46 42.07 1i2d s ILE 325 CO -0.00 0.01 1.18 -0.70 -1.91 0.00 0.00 174.94 173.51 1i2d s GLU 326 N 0.91 3.96 0.27 3.50 2.12 -0.70 -4.87 118.70 123.89 1i2d s GLU 326 Ca -0.05 1.08 -0.29 0.00 0.36 0.00 0.00 54.97 56.07 1i2d s GLU 326 Cb -0.05 -3.82 -0.09 0.00 0.26 0.00 0.00 34.13 30.43 1i2d s GLU 326 CO -0.08 -1.05 1.12 0.08 -0.54 0.00 0.00 175.26 174.80 1i2d s VAL 327 N 4.04 3.45 -0.25 3.70 1.01 -1.26 -1.22 120.40 129.87 1i2d s VAL 327 Ca 0.50 1.43 -0.01 0.00 0.00 0.00 0.00 61.98 63.90 1i2d s VAL 327 Cb -0.13 -3.91 0.03 0.00 0.00 0.00 0.00 36.38 32.37 1i2d s VAL 327 CO 0.20 0.33 -0.07 -0.69 0.00 0.00 0.00 175.10 174.87 1i2d s VAL 328 N -1.02 2.75 0.37 2.92 1.01 -0.73 -4.87 120.40 120.83 1i2d s VAL 328 Ca 0.46 -1.11 -0.02 0.00 0.00 0.00 0.00 61.98 61.30 1i2d s VAL 328 Cb -0.32 -2.42 -0.04 0.00 0.00 0.00 0.00 36.38 33.60 1i2d s VAL 328 CO 0.41 0.17 0.61 -1.61 0.00 0.00 0.00 175.10 174.68 1i2d s GLU 329 N 1.29 3.54 -0.05 2.72 2.02 -1.26 -1.15 118.70 125.81 1i2d s GLU 329 Ca -0.01 -0.12 -0.18 0.00 0.02 0.00 0.00 54.97 54.68 1i2d s GLU 329 Cb -0.17 -2.59 0.04 0.00 0.10 0.00 0.00 34.13 31.51 1i2d s GLU 329 CO -0.05 0.08 0.41 -0.06 0.02 0.00 0.00 175.26 175.66 1i2d s PHE 330 N -2.36 -0.34 0.20 1.61 0.40 -1.06 -4.92 117.98 111.51 1i2d s PHE 330 Ca 0.43 0.62 0.05 0.00 -0.60 0.00 0.00 56.93 57.43 1i2d s PHE 330 Cb -0.10 0.17 -0.03 0.00 0.51 0.00 0.00 43.02 43.57 1i2d s PHE 330 CO 0.37 -0.40 0.28 -0.65 0.70 0.00 0.00 175.22 175.51 1i2d s GLN 331 N -0.99 3.28 -0.12 0.44 -1.52 -1.26 -3.74 119.66 115.75 1i2d s GLN 331 Ca -0.10 -0.77 -0.25 0.00 -1.95 0.00 0.00 55.36 52.29 1i2d s GLN 331 Cb -0.04 -2.83 -0.12 0.00 -0.22 0.00 0.00 33.01 29.81 1i2d s GLN 331 CO 0.05 0.46 0.76 -0.12 -0.25 0.00 0.00 175.29 176.18 1i2d n MET 332 N -0.95 0.00 -3.72 2.91 0.00 -1.26 -4.51 117.12 109.60 1i2d n MET 332 Ca -0.08 0.00 -0.37 0.00 -0.00 0.00 0.00 57.70 57.25 1i2d n MET 332 Cb 0.56 -0.87 -0.06 0.00 0.00 0.00 0.00 33.22 32.85 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 0.74 5.29 0.31 1.12 1.01 -1.26 -1.16 120.40 126.45 1i2d s VAL 333 Ca 0.57 0.43 0.04 0.00 0.00 0.00 0.00 61.98 63.01 1i2d s VAL 333 Cb -0.80 -3.55 -0.04 0.00 0.00 0.00 0.00 36.38 32.00 1i2d s VAL 333 CO 0.39 0.55 0.18 0.42 0.00 0.00 0.00 175.10 176.64 1i2d s THR 334 N -1.11 0.23 -0.21 3.92 -4.23 -0.43 -4.93 115.64 108.88 1i2d s THR 334 Ca 0.21 -2.00 -0.08 0.00 -1.18 0.00 0.00 61.69 58.64 1i2d s THR 334 Cb -0.14 -2.49 -0.04 0.00 1.34 0.00 0.00 72.50 71.16 1i2d s THR 334 CO 0.10 0.00 0.09 -0.47 -0.54 0.00 0.00 174.62 173.80 1i2d s TYR 335 N -3.60 3.25 -0.49 3.99 5.04 -1.20 -1.59 117.35 122.75 1i2d s TYR 335 Ca 0.36 0.06 -0.12 0.00 -2.44 0.00 0.00 57.07 54.93 1i2d s TYR 335 Cb 0.04 -2.15 0.12 0.00 0.35 0.00 0.00 41.96 40.32 1i2d s TYR 335 CO 0.19 0.07 0.39 -0.51 -1.34 0.00 0.00 175.55 174.35 1i2d s LEU 336 N 0.70 5.81 0.16 6.97 1.43 0.19 -0.85 118.68 133.09 1i2d s LEU 336 Ca 0.05 -1.81 -0.20 0.00 -1.03 0.00 0.00 54.13 51.13 1i2d s LEU 336 Cb -0.13 -2.08 0.06 0.00 0.03 0.00 0.00 46.19 44.07 1i2d s LEU 336 CO 0.02 -0.73 1.64 -0.65 0.23 0.00 0.00 176.35 176.86 1i2d h PRO 337 N 8.60 -0.15 -0.24 1.29 0.11 -1.84 0.65 132.00 140.43 1i2d h PRO 337 Ca -0.24 0.01 0.02 0.00 0.11 0.00 0.00 66.00 65.90 1i2d h PRO 337 Cb 1.08 0.03 -0.01 0.00 0.11 0.00 0.00 31.00 32.22 1i2d h PRO 337 CO 0.91 -0.10 0.16 -0.44 -0.21 0.00 0.00 178.00 178.32 1i2d h ASP 338 N -0.15 0.20 0.00 -2.05 3.32 -1.93 -2.51 116.42 113.30 1i2d h ASP 338 Ca 0.16 -0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.21 1i2d h ASP 338 Cb 0.40 -0.05 0.00 0.00 0.22 0.00 0.00 39.33 39.90 1i2d h ASP 338 CO -0.40 0.14 -1.55 0.41 -1.72 0.00 0.00 179.24 176.12 1i2d n THR 339 N -4.50 0.00 -3.05 0.35 -1.04 -1.08 -5.02 114.28 99.94 1i2d n THR 339 Ca 0.01 -0.32 -0.04 0.00 -2.04 0.00 0.00 64.05 61.66 1i2d n THR 339 Cb 0.14 0.36 0.00 0.00 -1.82 0.00 0.00 70.33 69.01 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 -1.93 -7.65 -3.52 8.00 2.03 0.22 -5.03 116.55 108.68 1i2d n ASP 340 Ca -0.01 0.05 -0.09 0.00 0.52 0.00 0.00 54.79 55.25 1i2d n ASP 340 Cb 0.42 -5.07 -0.02 0.00 -0.72 0.00 0.00 41.12 35.73 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 -2.99 1.11 0.10 -0.67 -1.05 -0.95 -4.99 118.70 109.27 1i2d s GLU 341 Ca 0.08 -0.45 0.09 0.00 -0.15 0.00 0.00 54.97 54.54 1i2d s GLU 341 Cb -0.02 0.48 -0.04 0.00 -0.44 0.00 0.00 34.13 34.12 1i2d s GLU 341 CO 0.77 -0.49 -0.22 0.71 0.95 0.00 0.00 175.26 176.97 1i2d s TYR 342 N -3.45 2.43 0.11 4.83 1.51 -1.26 0.57 117.35 122.10 1i2d s TYR 342 Ca 0.04 -0.32 -0.25 0.00 -1.01 0.00 0.00 57.07 55.53 1i2d s TYR 342 Cb -0.01 -1.34 0.07 0.00 -0.11 0.00 0.00 41.96 40.57 1i2d s TYR 342 CO -0.08 0.31 0.81 -0.98 -1.11 0.00 0.00 175.55 174.50 1i2d s ARG 343 N -1.86 1.15 0.55 -0.62 1.70 -0.62 -4.94 118.95 114.30 1i2d s ARG 343 Ca 0.15 -0.52 -0.20 0.00 -0.47 0.00 0.00 55.73 54.70 1i2d s ARG 343 Cb -0.10 0.47 -0.05 0.00 -0.57 0.00 0.00 34.95 34.69 1i2d s ARG 343 CO 0.07 -0.51 1.17 -2.14 -1.08 0.00 0.00 175.30 172.81 1i2d s PRO 344 N -3.42 3.27 0.11 3.89 0.02 -1.26 -1.32 135.00 136.29 1i2d s PRO 344 Ca 0.07 1.73 -0.23 0.00 0.02 0.00 0.00 61.00 62.59 1i2d s PRO 344 Cb -0.02 -2.04 -0.10 0.00 0.02 0.00 0.00 34.50 32.36 1i2d s PRO 344 CO -0.05 -0.95 1.71 -0.39 -0.33 0.00 0.00 177.00 176.99 1i2d h VAL 345 N 1.19 0.85 0.00 3.83 -1.51 -1.37 -1.89 116.25 117.36 1i2d h VAL 345 Ca -0.50 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 64.97 1i2d h VAL 345 Cb 1.27 0.85 0.00 0.00 -2.13 0.00 0.00 31.29 31.29 1i2d h VAL 345 CO 0.57 0.00 0.01 -0.90 -1.23 0.00 0.00 177.57 176.02 1i2d n ASP 346 N -5.17 0.00 -0.72 4.19 3.85 -1.26 0.27 116.55 117.70 1i2d n ASP 346 Ca -0.05 0.03 0.06 0.00 -0.71 0.00 0.00 54.79 54.12 1i2d n ASP 346 Cb 0.10 -0.03 0.18 0.00 -1.35 0.00 0.00 41.12 40.03 1i2d n ASP 346 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 1i2d n GLN 347 N -0.89 2.91 -3.86 0.11 6.02 -0.71 -4.92 117.38 116.03 1i2d n GLN 347 Ca 0.00 -2.27 -0.36 0.00 -0.01 0.00 0.00 57.00 54.36 1i2d n GLN 347 Cb 0.01 -1.43 -0.14 0.00 1.02 0.00 0.00 30.24 29.71 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 -1.49 3.57 0.61 5.09 1.01 0.75 -4.98 120.40 124.96 1i2d s VAL 348 Ca 0.29 -0.53 -0.18 0.00 0.00 0.00 0.00 61.98 61.55 1i2d s VAL 348 Cb 0.18 -2.69 -0.04 0.00 0.00 0.00 0.00 36.38 33.83 1i2d s VAL 348 CO 0.14 0.33 1.01 -2.65 0.00 0.00 0.00 175.10 173.94 1i2d n PRO 349 N 4.82 0.93 0.18 2.72 -0.02 -1.26 -4.86 135.00 137.51 1i2d n PRO 349 Ca -0.17 0.36 0.14 0.00 -2.02 0.00 0.00 63.50 61.81 1i2d n PRO 349 Cb 0.50 -2.22 0.62 0.00 -0.02 0.00 0.00 33.50 32.38 1i2d n PRO 349 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1i2d h ALA 350 N 0.50 1.00 -0.29 3.55 0.00 -1.99 -2.92 119.26 119.10 1i2d h ALA 350 Ca -0.49 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.40 1i2d h ALA 350 Cb 1.36 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.14 1i2d h ALA 350 CO 0.51 0.00 0.11 0.78 0.00 0.00 0.00 179.25 180.65 1i2d h GLY 351 N 1.38 0.47 -2.74 0.00 0.00 -2.05 -3.47 103.07 96.67 1i2d h GLY 351 Ca 0.00 -0.26 -0.53 0.00 0.00 0.00 0.00 47.33 46.54 1i2d h GLY 351 CO 0.00 0.24 0.54 0.14 0.00 0.00 0.00 176.54 177.46 1i2d s VAL 352 N -5.52 2.63 0.01 4.60 1.01 -1.11 -5.06 120.40 116.96 1i2d s VAL 352 Ca -0.13 0.47 -0.20 0.00 0.00 0.00 0.00 61.98 62.12 1i2d s VAL 352 Cb 0.09 -3.24 -0.06 0.00 0.00 0.00 0.00 36.38 33.17 1i2d s VAL 352 CO 0.73 -0.01 0.57 -0.75 0.00 0.00 0.00 175.10 175.64 1i2d s LYS 353 N -2.80 4.27 -0.10 2.72 2.20 -1.26 -4.96 119.74 119.80 1i2d s LYS 353 Ca 0.67 0.70 0.04 0.00 -0.36 0.00 0.00 55.97 57.02 1i2d s LYS 353 Cb -0.34 -3.32 0.00 0.00 -1.51 0.00 0.00 37.83 32.67 1i2d s LYS 353 CO 0.41 0.44 -0.23 0.95 -0.36 0.00 0.00 175.35 176.55 1i2d s THR 354 N -0.41 1.99 -0.13 3.43 -4.23 -1.26 -4.30 115.64 110.73 1i2d s THR 354 Ca 0.30 -0.97 -0.07 0.00 -1.18 0.00 0.00 61.69 59.77 1i2d s THR 354 Cb -0.18 -1.73 -0.04 0.00 1.34 0.00 0.00 72.50 71.89 1i2d s THR 354 CO 0.17 0.54 0.12 -0.76 -0.54 0.00 0.00 174.62 174.15 1i2d s LEU 355 N 0.45 4.22 -0.20 4.79 1.43 -0.03 -4.98 118.68 124.35 1i2d s LEU 355 Ca -0.17 0.37 -0.16 0.00 -1.03 0.00 0.00 54.13 53.14 1i2d s LEU 355 Cb -0.17 -2.03 0.06 0.00 0.03 0.00 0.00 46.19 44.07 1i2d s LEU 355 CO 0.07 0.36 0.53 0.21 0.23 0.00 0.00 176.35 177.74 1i2d s ASN 356 N -0.71 -0.60 -0.26 2.29 2.47 -1.26 -3.28 114.94 113.59 1i2d s ASN 356 Ca 0.13 1.09 -0.07 0.00 0.42 0.00 0.00 52.86 54.44 1i2d s ASN 356 Cb -0.12 1.06 -0.01 0.00 -1.45 0.00 0.00 41.25 40.73 1i2d s ASN 356 CO 0.03 -0.19 0.06 -0.63 -3.72 0.00 0.00 177.10 172.64 1i2d s ILE 357 N 0.68 4.05 0.94 -5.21 1.01 -1.26 -5.10 121.20 116.31 1i2d s ILE 357 Ca -0.03 -0.41 -0.14 0.00 0.00 0.00 0.00 60.65 60.07 1i2d s ILE 357 Cb -0.05 -2.96 0.16 0.00 0.01 0.00 0.00 42.46 39.62 1i2d s ILE 357 CO -0.05 0.25 1.17 -0.94 0.00 0.00 0.00 174.94 175.38 1i2d s SER 358 N 1.55 3.31 0.20 3.58 1.04 -1.26 -4.84 113.70 117.29 1i2d s SER 358 Ca 0.05 0.79 -0.10 0.00 0.48 0.00 0.00 55.95 57.17 1i2d s SER 358 Cb -0.16 -1.24 0.19 0.00 0.10 0.00 0.00 66.02 64.91 1i2d s SER 358 CO 0.02 -2.66 1.84 1.23 0.98 0.00 0.00 173.24 174.66 1i2d h GLY 359 N -1.57 0.98 0.96 7.32 0.00 -1.99 -1.26 103.07 107.50 1i2d h GLY 359 Ca -0.48 -0.31 -0.07 0.00 0.00 0.00 0.00 47.33 46.46 1i2d h GLY 359 CO 0.56 0.26 -0.04 -0.84 0.00 0.00 0.00 176.54 176.48 1i2d h THR 360 N 0.81 1.27 -0.70 4.70 2.02 -1.99 -1.89 112.91 117.14 1i2d h THR 360 Ca 0.28 -1.08 -0.02 0.00 0.77 0.00 0.00 66.41 66.35 1i2d h THR 360 Cb 0.04 1.17 -0.03 0.00 -1.74 0.00 0.00 68.15 67.59 1i2d h THR 360 CO -0.11 0.36 0.35 -0.08 0.37 0.00 0.00 175.52 176.41 1i2d h GLU 361 N 0.54 0.98 0.14 6.66 4.57 -1.82 -0.12 114.58 125.53 1i2d h GLU 361 Ca 0.11 -0.12 -0.01 0.00 -1.18 0.00 0.00 59.36 58.16 1i2d h GLU 361 Cb 0.53 -0.19 0.00 0.00 -0.16 0.00 0.00 28.75 28.94 1i2d h GLU 361 CO 0.03 0.74 -0.07 1.25 -1.18 0.00 0.00 179.01 179.78 1i2d h LEU 362 N 0.98 -0.16 -2.05 1.64 5.85 -1.04 -0.70 115.31 119.83 1i2d h LEU 362 Ca 0.24 -0.24 -0.01 0.00 0.84 0.00 0.00 57.88 58.72 1i2d h LEU 362 Cb 0.08 0.04 -0.00 0.00 0.37 0.00 0.00 40.66 41.15 1i2d h LEU 362 CO -0.03 0.16 -0.03 0.03 -0.34 0.00 0.00 178.44 178.23 1i2d h ARG 363 N -0.50 0.00 -0.25 1.25 3.08 -1.17 0.14 114.38 116.94 1i2d h ARG 363 Ca -0.02 0.00 -0.09 0.00 0.07 0.00 0.00 59.98 59.94 1i2d h ARG 363 Cb 0.39 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.44 1i2d h ARG 363 CO 0.03 0.03 -0.21 -0.09 -1.07 0.00 0.00 179.97 178.66 1i2d h ARG 364 N 0.00 0.58 -0.17 0.04 2.43 -0.59 -1.51 114.38 115.16 1i2d h ARG 364 Ca -0.00 -0.29 -0.17 0.00 -0.81 0.00 0.00 59.98 58.70 1i2d h ARG 364 Cb 0.05 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 29.60 1i2d h ARG 364 CO 0.00 0.88 -0.60 0.00 -1.51 0.00 0.00 179.97 178.74 1i2d h ARG 365 N 0.30 0.57 -0.37 0.20 3.08 -0.12 -1.94 114.38 116.10 1i2d h ARG 365 Ca 0.04 -0.39 -0.04 0.00 0.07 0.00 0.00 59.98 59.67 1i2d h ARG 365 Cb 0.75 0.06 -0.02 0.00 0.08 0.00 0.00 29.97 30.85 1i2d h ARG 365 CO 0.05 1.00 0.09 -0.07 -1.07 0.00 0.00 179.97 179.97 1i2d h LEU 366 N 0.43 0.56 -1.64 3.04 3.38 -0.73 0.30 115.31 120.65 1i2d h LEU 366 Ca -0.00 -0.24 -0.04 0.00 0.09 0.00 0.00 57.88 57.69 1i2d h LEU 366 Cb 1.16 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.76 1i2d h LEU 366 CO 0.11 0.65 -0.18 -0.09 0.09 0.00 0.00 178.44 179.02 1i2d h ARG 367 N 0.45 0.00 -0.00 1.13 2.43 -1.19 -3.05 114.38 114.14 1i2d h ARG 367 Ca 0.12 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.29 1i2d h ARG 367 Cb 0.31 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.86 1i2d h ARG 367 CO 0.00 0.18 -0.78 -1.13 -1.51 0.00 0.00 179.97 176.74 1i2d n SER 368 N -4.31 1.18 0.00 -3.80 3.41 -0.74 -1.03 113.62 108.33 1i2d n SER 368 Ca -0.02 -1.09 0.00 0.00 -0.26 0.00 0.00 58.87 57.50 1i2d n SER 368 Cb 0.25 0.86 0.00 0.00 -0.26 0.00 0.00 64.21 65.05 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 1.22 3.68 5.00 0.00 0.97 -4.97 105.19 112.50 1i2d n GLY 369 Ca 0.05 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.70 1i2d n GLY 369 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1i2d n ALA 370 N 0.20 0.52 -1.76 4.61 0.00 -0.74 -4.95 120.51 118.38 1i2d n ALA 370 Ca 0.00 -0.08 -0.38 0.00 0.00 0.00 0.00 53.44 52.98 1i2d n ALA 370 Cb 0.00 -2.23 0.02 0.00 0.00 0.00 0.00 19.45 17.25 1i2d n ALA 370 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 1i2d s HIS 371 N -1.58 2.50 -0.27 0.00 5.65 -1.26 -4.67 115.29 115.66 1i2d s HIS 371 Ca 0.79 1.41 0.00 0.00 0.25 0.00 0.00 55.06 57.51 1i2d s HIS 371 Cb -0.37 -3.69 0.08 0.00 -1.18 0.00 0.00 32.58 27.42 1i2d s HIS 371 CO 0.45 -2.47 0.02 0.42 -0.65 0.00 0.00 174.74 172.51 1i2d s ILE 372 N -1.35 1.33 0.13 0.89 1.01 -1.26 -5.01 121.20 116.92 1i2d s ILE 372 Ca 0.67 -1.35 -0.29 0.00 0.00 0.00 0.00 60.65 59.67 1i2d s ILE 372 Cb -0.37 -1.79 -0.17 0.00 0.01 0.00 0.00 42.46 40.14 1i2d s ILE 372 CO 0.45 -0.35 0.64 -2.65 0.00 0.00 0.00 174.94 173.02 1i2d n PRO 373 N 4.71 0.00 0.23 2.79 -0.02 -1.26 -4.85 135.00 136.60 1i2d n PRO 373 Ca -0.06 0.00 0.15 0.00 -2.02 0.00 0.00 63.50 61.57 1i2d n PRO 373 Cb 0.44 -1.07 0.54 0.00 -0.02 0.00 0.00 33.50 33.39 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 1.49 0.00 0.00 -0.52 5.08 -1.99 -2.06 114.58 116.57 1i2d h GLU 374 Ca -0.32 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.03 1i2d h GLU 374 Cb 1.33 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.58 1i2d h GLU 374 CO 0.55 0.00 -0.03 0.11 -1.00 0.00 0.00 179.01 178.64 1i2d h TRP 375 N 0.00 0.00 0.12 4.33 5.08 -2.02 -3.23 115.95 120.23 1i2d h TRP 375 Ca 0.00 0.00 -0.22 0.00 1.08 0.00 0.00 58.89 59.75 1i2d h TRP 375 Cb 0.58 0.00 0.01 0.00 -3.00 0.00 0.00 29.16 26.75 1i2d h TRP 375 CO 0.00 0.03 -1.06 0.35 -1.28 0.00 0.00 178.44 176.47 1i2d h PHE 376 N 0.00 0.44 -2.43 0.12 3.57 -1.73 -3.45 116.94 113.46 1i2d h PHE 376 Ca -0.00 -0.32 -0.09 0.00 3.53 0.00 0.00 57.97 61.09 1i2d h PHE 376 Cb 0.72 -0.02 -0.21 0.00 2.79 0.00 0.00 35.95 39.23 1i2d h PHE 376 CO 0.00 1.41 -0.04 0.45 -2.23 0.00 0.00 178.31 177.90 1i2d s SER 377 N -6.96 -0.51 0.50 0.41 0.15 -1.15 -2.04 113.70 104.10 1i2d s SER 377 Ca -0.17 0.78 -0.22 0.00 0.70 0.00 0.00 55.95 57.03 1i2d s SER 377 Cb 0.02 0.78 -0.06 0.00 -1.71 0.00 0.00 66.02 65.06 1i2d s SER 377 CO 0.78 -0.36 1.23 -0.31 1.20 0.00 0.00 173.24 175.78 1i2d s TYR 378 N -0.47 2.63 0.23 3.44 1.51 -1.26 -4.44 117.35 118.99 1i2d s TYR 378 Ca -0.06 1.48 -0.07 0.00 -1.01 0.00 0.00 57.07 57.41 1i2d s TYR 378 Cb -0.03 -3.52 0.40 0.00 -0.11 0.00 0.00 41.96 38.70 1i2d s TYR 378 CO 0.04 -2.02 1.67 -1.35 -1.11 0.00 0.00 175.55 172.79 1i2d h PRO 379 N 1.70 0.20 -0.10 -1.71 0.11 -1.95 -0.95 132.00 129.30 1i2d h PRO 379 Ca -0.50 -0.01 -0.07 0.00 0.11 0.00 0.00 66.00 65.52 1i2d h PRO 379 Cb 1.27 -0.04 -0.01 0.00 0.11 0.00 0.00 31.00 32.32 1i2d h PRO 379 CO 0.59 0.13 -0.28 1.05 -0.21 0.00 0.00 178.00 179.28 1i2d h GLU 380 N 0.20 0.18 -0.23 1.05 9.09 -1.92 -0.06 114.58 122.89 1i2d h GLU 380 Ca 0.38 -0.06 -0.09 0.00 0.05 0.00 0.00 59.36 59.64 1i2d h GLU 380 Cb 0.64 -0.01 -0.00 0.00 -1.65 0.00 0.00 28.75 27.72 1i2d h GLU 380 CO -0.53 0.45 -0.21 0.28 0.05 0.00 0.00 179.01 179.05 1i2d h VAL 381 N 0.16 1.32 -0.72 -1.06 2.07 -1.54 -2.61 116.25 113.87 1i2d h VAL 381 Ca 0.02 -1.37 -0.02 0.00 0.82 0.00 0.00 66.70 66.15 1i2d h VAL 381 Cb 0.58 1.69 -0.03 0.00 -1.52 0.00 0.00 31.29 32.01 1i2d h VAL 381 CO 0.04 0.42 0.36 0.58 0.02 0.00 0.00 177.57 178.99 1i2d h VAL 382 N 0.25 1.23 -0.25 2.57 2.07 -1.07 -1.19 116.25 119.87 1i2d h VAL 382 Ca 0.04 -0.65 0.06 0.00 0.82 0.00 0.00 66.70 66.97 1i2d h VAL 382 Cb 0.76 0.33 -0.06 0.00 -1.52 0.00 0.00 31.29 30.80 1i2d h VAL 382 CO 0.05 0.27 -0.17 0.50 0.02 0.00 0.00 177.57 178.25 1i2d h LYS 383 N 1.01 -0.15 -0.88 1.57 3.64 -0.86 0.46 116.57 121.37 1i2d h LYS 383 Ca 0.25 0.01 0.04 0.00 -1.27 0.00 0.00 60.65 59.68 1i2d h LYS 383 Cb 0.11 0.03 -0.05 0.00 -0.41 0.00 0.00 32.23 31.91 1i2d h LYS 383 CO -0.03 -0.10 0.57 0.82 -2.27 0.00 0.00 179.45 178.44 1i2d h ILE 384 N -0.15 1.12 -0.44 2.00 2.04 -1.06 -1.64 117.51 119.36 1i2d h ILE 384 Ca 0.14 -0.36 -0.11 0.00 1.00 0.00 0.00 64.86 65.53 1i2d h ILE 384 Cb 0.36 -0.03 -0.02 0.00 -0.74 0.00 0.00 36.82 36.39 1i2d h ILE 384 CO -0.34 0.19 -0.15 -0.07 0.00 0.00 0.00 178.15 177.78 1i2d h LEU 385 N 1.06 0.83 -1.09 1.44 3.38 0.09 -2.56 115.31 118.45 1i2d h LEU 385 Ca 0.36 -0.27 -0.09 0.00 0.09 0.00 0.00 57.88 57.97 1i2d h LEU 385 Cb 0.08 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.60 1i2d h LEU 385 CO -0.12 0.98 -0.35 0.03 0.09 0.00 0.00 178.44 179.07 1i2d h ARG 386 N 0.74 0.19 -0.03 1.13 3.08 -0.28 -0.92 114.38 118.28 1i2d h ARG 386 Ca 0.11 -0.08 -0.03 0.00 0.07 0.00 0.00 59.98 60.05 1i2d h ARG 386 Cb 0.66 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.69 1i2d h ARG 386 CO 0.05 0.52 -0.14 1.49 -1.07 0.00 0.00 179.97 180.82 1i2d h GLU 387 N 0.17 0.05 0.00 0.04 4.81 -0.92 -3.04 114.58 115.69 1i2d h GLU 387 Ca 0.02 -0.01 -0.21 0.00 -0.13 0.00 0.00 59.36 59.03 1i2d h GLU 387 Cb 0.70 -0.01 -0.04 0.00 0.63 0.00 0.00 28.75 30.04 1i2d h GLU 387 CO 0.05 0.19 -1.57 0.43 -0.73 0.00 0.00 179.01 177.38 1i2d n SER 388 N -4.35 0.78 -3.62 1.04 7.64 -0.94 -4.55 113.62 109.61 1i2d n SER 388 Ca -0.02 0.35 -0.28 0.00 1.01 0.00 0.00 58.87 59.93 1i2d n SER 388 Cb 0.22 0.21 -0.12 0.00 -1.01 0.00 0.00 64.21 63.52 1i2d n SER 388 CO 0.00 0.00 0.00 0.20 -3.01 0.00 0.00 175.04 172.23 1i2d s ASN 389 N -5.80 3.09 0.81 6.43 0.01 -0.39 -5.10 114.94 113.98 1i2d s ASN 389 Ca -0.04 -3.03 -0.11 0.00 -0.71 0.00 0.00 52.86 48.97 1i2d s ASN 389 Cb 0.08 -0.91 0.08 0.00 0.41 0.00 0.00 41.25 40.91 1i2d s ASN 389 CO 0.82 -0.19 1.09 -2.84 -1.51 0.00 0.00 177.10 174.46 1i2d s PRO 390 N -0.11 1.97 0.79 -0.60 0.02 -1.16 -4.52 135.00 131.40 1i2d s PRO 390 Ca 0.25 0.88 -0.11 0.00 0.02 0.00 0.00 61.00 62.03 1i2d s PRO 390 Cb -0.10 -1.89 0.07 0.00 0.02 0.00 0.00 34.50 32.60 1i2d s PRO 390 CO -0.11 -1.76 1.09 -2.14 -0.33 0.00 0.00 177.00 173.75 1i2d s PRO 391 N -5.00 2.11 0.55 5.54 0.02 -1.23 -4.55 135.00 132.43 1i2d s PRO 391 Ca 0.61 0.95 0.26 0.00 0.02 0.00 0.00 61.00 62.84 1i2d s PRO 391 Cb -0.16 -1.90 1.44 0.00 0.02 0.00 0.00 34.50 33.90 1i2d s PRO 391 CO 0.56 -1.68 2.01 0.00 -0.33 0.00 0.00 177.00 177.55 1i2d h ARG 392 N -1.15 0.00 -0.63 5.54 2.47 -1.33 0.29 114.38 119.57 1i2d h ARG 392 Ca -0.46 0.00 0.17 0.00 -1.26 0.00 0.00 59.98 58.43 1i2d h ARG 392 Cb 1.25 0.00 -0.03 0.00 -1.65 0.00 0.00 29.97 29.54 1i2d h ARG 392 CO 0.55 0.00 0.45 0.00 0.56 0.00 0.00 179.97 181.52 1i2d h ALA 393 N 1.72 2.49 -0.02 0.04 0.00 -1.74 -2.85 119.26 118.90 1i2d h ALA 393 Ca 0.21 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.10 1i2d h ALA 393 Cb 0.90 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.71 1i2d h ALA 393 CO -0.00 -0.66 0.00 0.25 0.00 0.00 0.00 179.25 178.83 1i2d n THR 394 N -4.38 0.32 -2.19 0.00 -2.24 0.05 -4.80 114.28 101.03 1i2d n THR 394 Ca 0.12 -0.66 -0.35 0.00 -2.27 0.00 0.00 64.05 60.89 1i2d n THR 394 Cb 0.65 0.87 0.01 0.00 -2.10 0.00 0.00 70.33 69.76 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 -0.42 3.29 0.94 -0.78 -0.21 -0.93 -4.75 119.66 116.79 1i2d s GLN 395 Ca 0.03 1.68 -0.14 0.00 0.02 0.00 0.00 55.36 56.95 1i2d s GLN 395 Cb 0.02 -2.02 0.20 0.00 1.00 0.00 0.00 33.01 32.21 1i2d s GLN 395 CO 0.02 -0.92 1.28 0.20 -2.12 0.00 0.00 175.29 173.76 1i2d s GLY 396 N -1.69 1.79 0.09 3.09 0.00 -1.24 -4.81 107.32 104.56 1i2d s GLY 396 Ca 0.73 -1.35 -0.26 0.00 0.00 0.00 0.00 44.72 43.85 1i2d s GLY 396 CO 0.29 -0.58 0.84 -0.11 0.00 0.00 0.00 173.10 173.54 1i2d s PHE 397 N -3.79 -0.31 -0.04 1.90 -0.12 -0.64 -4.06 117.98 110.92 1i2d s PHE 397 Ca 0.74 0.09 0.06 0.00 -0.05 0.00 0.00 56.93 57.77 1i2d s PHE 397 Cb -0.03 0.58 -0.01 0.00 -0.63 0.00 0.00 43.02 42.93 1i2d s PHE 397 CO 0.52 -0.73 -0.22 0.99 -0.05 0.00 0.00 175.22 175.73 1i2d s THR 398 N -3.35 1.78 -0.26 -4.49 2.01 0.17 -1.05 115.64 110.45 1i2d s THR 398 Ca 0.07 -0.93 -0.04 0.00 0.31 0.00 0.00 61.69 61.09 1i2d s THR 398 Cb -0.01 -1.50 0.01 0.00 0.01 0.00 0.00 72.50 71.00 1i2d s THR 398 CO -0.06 0.50 0.00 -0.63 -0.69 0.00 0.00 174.62 173.75 1i2d s ILE 399 N -0.27 3.49 -0.27 1.82 -1.09 0.17 -1.32 121.20 123.72 1i2d s ILE 399 Ca 0.01 -0.73 -0.08 0.00 -2.23 0.00 0.00 60.65 57.63 1i2d s ILE 399 Cb -0.11 -2.73 -0.01 0.00 -1.58 0.00 0.00 42.46 38.02 1i2d s ILE 399 CO 0.01 0.21 0.09 0.12 -1.23 0.00 0.00 174.94 174.15 1i2d s PHE 400 N 1.44 3.12 -0.13 3.97 5.36 0.37 -1.42 117.98 130.70 1i2d s PHE 400 Ca 0.03 -0.60 -0.05 0.00 -0.96 0.00 0.00 56.93 55.35 1i2d s PHE 400 Cb -0.16 -2.27 -0.04 0.00 -0.34 0.00 0.00 43.02 40.21 1i2d s PHE 400 CO -0.01 -0.44 0.04 -0.51 -1.46 0.00 0.00 175.22 172.84 1i2d s LEU 401 N 1.59 3.75 -0.01 6.12 1.43 0.21 -0.53 118.68 131.23 1i2d s LEU 401 Ca 0.05 0.15 0.01 0.00 -1.03 0.00 0.00 54.13 53.31 1i2d s LEU 401 Cb -0.16 -1.90 0.01 0.00 0.03 0.00 0.00 46.19 44.17 1i2d s LEU 401 CO 0.04 0.30 -0.01 0.28 0.23 0.00 0.00 176.35 177.19 1i2d s THR 402 N -0.40 0.14 0.00 5.49 -1.32 -0.93 -3.35 115.64 115.26 1i2d s THR 402 Ca 0.09 -0.02 0.00 0.00 -1.21 0.00 0.00 61.69 60.55 1i2d s THR 402 Cb -0.12 -0.16 0.00 0.00 -1.51 0.00 0.00 72.50 70.71 1i2d s THR 402 CO 0.02 0.07 0.00 0.61 -2.21 0.00 0.00 174.62 173.11 1i2d n GLY 403 N 3.38 -0.93 3.74 6.08 0.00 -1.15 -0.87 105.19 115.45 1i2d n GLY 403 Ca -0.17 -1.01 -0.31 0.00 0.00 0.00 0.00 46.02 44.53 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 2.37 0.35 1.61 1.51 -1.26 -4.55 117.35 115.38 1i2d s TYR 404 Ca 0.00 1.58 -0.28 0.00 -1.01 0.00 0.00 57.07 57.35 1i2d s TYR 404 Cb 0.00 -3.11 -0.11 0.00 -0.11 0.00 0.00 41.96 38.62 1i2d s TYR 404 CO 0.00 -2.04 1.47 -0.12 -1.11 0.00 0.00 175.55 173.75 1i2d n MET 405 N -3.69 2.56 -2.53 -0.62 0.00 -1.26 -1.61 117.12 109.96 1i2d n MET 405 Ca 0.09 0.90 -0.21 0.00 -0.00 0.00 0.00 57.70 58.49 1i2d n MET 405 Cb 0.53 -2.61 0.00 0.00 0.00 0.00 0.00 33.22 31.14 1i2d n MET 405 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 175.97 174.26 1i2d n ASN 406 N 0.88 -5.83 -0.25 6.12 5.15 -1.26 -4.83 115.26 115.25 1i2d n ASN 406 Ca 0.04 -0.08 0.14 0.00 -0.60 0.00 0.00 54.58 54.07 1i2d n ASN 406 Cb 0.38 -4.80 0.57 0.00 -0.53 0.00 0.00 39.78 35.40 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 -1.99 0.87 0.00 1.20 3.41 -0.63 -4.52 113.62 111.96 1i2d n SER 407 Ca -0.21 -0.99 0.00 0.00 -0.26 0.00 0.00 58.87 57.41 1i2d n SER 407 Cb 0.67 0.01 0.00 0.00 -0.26 0.00 0.00 64.21 64.63 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 1.23 0.31 0.31 5.00 0.00 -1.26 -4.37 105.19 106.40 1i2d n GLY 408 Ca 0.16 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.27 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 4.58 0.31 -0.27 1.61 2.10 -1.91 0.13 116.57 123.12 1i2d h LYS 409 Ca 0.00 -0.02 -0.17 0.00 -2.00 0.00 0.00 60.65 58.46 1i2d h LYS 409 Cb 0.00 -0.07 -0.00 0.00 -0.90 0.00 0.00 32.23 31.26 1i2d h LYS 409 CO 0.00 0.20 -0.51 -0.44 -2.00 0.00 0.00 179.45 176.70 1i2d h ASP 410 N 0.31 0.83 -0.03 7.07 5.19 -1.92 -1.54 116.42 126.33 1i2d h ASP 410 Ca 0.15 -0.43 -0.24 0.00 -0.62 0.00 0.00 57.03 55.89 1i2d h ASP 410 Cb 0.20 -0.24 0.01 0.00 0.18 0.00 0.00 39.33 39.48 1i2d h ASP 410 CO -0.03 1.19 -0.90 0.00 -3.12 0.00 0.00 179.24 176.38 1i2d h ALA 411 N 0.83 0.25 -0.56 3.45 0.00 -1.77 -2.52 119.26 118.94 1i2d h ALA 411 Ca 0.02 -0.65 0.08 0.00 0.00 0.00 0.00 54.91 54.36 1i2d h ALA 411 Cb 1.09 0.01 -0.06 0.00 0.00 0.00 0.00 17.79 18.83 1i2d h ALA 411 CO 0.11 0.70 0.22 0.82 0.00 0.00 0.00 179.25 181.10 1i2d h ILE 412 N 0.45 0.82 0.24 0.00 2.04 -0.73 -2.03 117.51 118.30 1i2d h ILE 412 Ca -0.09 -0.14 0.01 0.00 1.00 0.00 0.00 64.86 65.64 1i2d h ILE 412 Cb 1.54 0.37 -0.03 0.00 -0.74 0.00 0.00 36.82 37.96 1i2d h ILE 412 CO 0.18 0.08 -0.32 0.00 0.00 0.00 0.00 178.15 178.08 1i2d h ALA 413 N 1.37 -0.63 -0.73 1.87 0.00 -1.12 0.44 119.26 120.46 1i2d h ALA 413 Ca 0.27 -0.08 0.04 0.00 0.00 0.00 0.00 54.91 55.14 1i2d h ALA 413 Cb 0.30 0.49 -0.04 0.00 0.00 0.00 0.00 17.79 18.54 1i2d h ALA 413 CO -0.26 -0.90 0.48 0.00 0.00 0.00 0.00 179.25 178.57 1i2d h ARG 414 N -0.62 0.86 -0.28 0.00 3.08 -1.30 -0.64 114.38 115.47 1i2d h ARG 414 Ca 0.00 -0.05 -0.09 0.00 0.07 0.00 0.00 59.98 59.91 1i2d h ARG 414 Cb 0.60 -0.19 -0.01 0.00 0.08 0.00 0.00 29.97 30.45 1i2d h ARG 414 CO -0.12 0.57 -0.17 0.00 -1.07 0.00 0.00 179.97 179.18 1i2d h ALA 415 N 1.57 0.40 -0.95 0.04 0.00 -0.90 -1.81 119.26 117.61 1i2d h ALA 415 Ca 0.29 -0.34 0.03 0.00 0.00 0.00 0.00 54.91 54.89 1i2d h ALA 415 Cb 0.07 -0.10 -0.05 0.00 0.00 0.00 0.00 17.79 17.71 1i2d h ALA 415 CO -0.09 0.32 0.63 1.25 0.00 0.00 0.00 179.25 181.36 1i2d h LEU 416 N 0.36 1.05 0.29 0.00 5.85 -0.42 0.33 115.31 122.77 1i2d h LEU 416 Ca 0.06 -0.02 -0.01 0.00 0.84 0.00 0.00 57.88 58.75 1i2d h LEU 416 Cb 0.70 -0.25 0.00 0.00 0.37 0.00 0.00 40.66 41.49 1i2d h LEU 416 CO 0.05 0.73 -0.14 -0.61 -0.34 0.00 0.00 178.44 178.13 1i2d h GLN 417 N 1.23 -0.38 -0.65 1.25 4.15 -0.82 0.76 115.11 120.65 1i2d h GLN 417 Ca 0.37 0.03 0.03 0.00 0.77 0.00 0.00 58.65 59.84 1i2d h GLN 417 Cb -0.04 0.09 -0.04 0.00 0.21 0.00 0.00 27.48 27.70 1i2d h GLN 417 CO -0.10 -0.25 0.40 0.28 -1.93 0.00 0.00 178.83 177.22 1i2d h VAL 418 N -0.40 1.09 -0.21 2.39 2.07 -0.77 -0.44 116.25 119.97 1i2d h VAL 418 Ca -0.04 -0.27 0.04 0.00 0.82 0.00 0.00 66.70 67.25 1i2d h VAL 418 Cb 0.30 0.23 -0.04 0.00 -1.52 0.00 0.00 31.29 30.26 1i2d h VAL 418 CO 0.07 0.14 -0.05 0.74 0.02 0.00 0.00 177.57 178.49 1i2d h THR 419 N 0.79 0.79 -0.19 2.57 2.02 -0.04 -0.00 112.91 118.85 1i2d h THR 419 Ca 0.26 -0.00 -0.07 0.00 0.77 0.00 0.00 66.41 67.37 1i2d h THR 419 Cb 0.01 0.78 -0.01 0.00 -1.74 0.00 0.00 68.15 67.19 1i2d h THR 419 CO -0.10 0.00 -0.18 -0.07 0.37 0.00 0.00 175.52 175.54 1i2d h LEU 420 N 0.01 0.31 -1.05 2.58 3.38 -0.58 0.07 115.31 120.02 1i2d h LEU 420 Ca 0.10 -0.08 -0.07 0.00 0.09 0.00 0.00 57.88 57.92 1i2d h LEU 420 Cb 0.15 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 40.80 1i2d h LEU 420 CO -0.21 0.52 -0.05 0.78 0.09 0.00 0.00 178.44 179.56 1i2d h ASN 421 N 0.30 0.58 0.18 -0.43 2.35 -0.31 -0.39 115.58 117.86 1i2d h ASN 421 Ca 0.05 -0.14 -0.01 0.00 -0.55 0.00 0.00 56.30 55.66 1i2d h ASN 421 Cb 0.50 -0.16 0.00 0.00 0.05 0.00 0.00 38.32 38.71 1i2d h ASN 421 CO 0.03 0.69 -0.09 -0.61 -1.65 0.00 0.00 177.43 175.81 1i2d h GLN 422 N 0.57 -0.23 -0.90 0.81 4.15 -0.10 -3.08 115.11 116.32 1i2d h GLN 422 Ca 0.11 0.02 0.24 0.00 0.77 0.00 0.00 58.65 59.79 1i2d h GLN 422 Cb 0.45 0.05 -0.14 0.00 0.21 0.00 0.00 27.48 28.05 1i2d h GLN 422 CO 0.02 0.02 0.35 0.37 -1.93 0.00 0.00 178.83 177.66 1i2d h GLN 423 N -0.46 0.29 0.00 1.69 5.75 -0.67 -3.47 115.11 118.25 1i2d h GLN 423 Ca -0.02 -0.02 0.00 0.00 -0.15 0.00 0.00 58.65 58.46 1i2d h GLN 423 Cb 0.35 -0.07 0.00 0.00 1.07 0.00 0.00 27.48 28.84 1i2d h GLN 423 CO 0.04 0.19 0.00 0.41 -2.65 0.00 0.00 178.83 176.82 1i2d n GLY 424 N -1.35 2.85 0.36 2.39 0.00 -0.19 -5.00 105.19 104.26 1i2d n GLY 424 Ca 0.23 -0.08 0.08 0.00 0.00 0.00 0.00 46.02 46.26 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 1.16 -1.83 -0.02 0.00 -1.91 -3.46 103.07 97.01 1i2d h GLY 425 Ca 0.00 -0.33 -0.47 0.00 0.00 0.00 0.00 47.33 46.53 1i2d h GLY 425 CO 0.00 0.18 -0.51 1.09 0.00 0.00 0.00 176.54 177.29 1i2d s ARG 426 N -5.73 1.74 0.19 4.80 1.70 -1.26 -5.06 118.95 115.33 1i2d s ARG 426 Ca -0.10 -2.02 -0.30 0.00 -0.47 0.00 0.00 55.73 52.84 1i2d s ARG 426 Cb 0.21 0.03 -0.08 0.00 -0.57 0.00 0.00 34.95 34.54 1i2d s ARG 426 CO 0.79 -0.57 1.18 0.45 -1.08 0.00 0.00 175.30 176.07 1i2d s SER 427 N -3.42 7.12 -0.20 -2.89 0.15 -1.26 -4.88 113.70 108.33 1i2d s SER 427 Ca 0.36 2.21 -0.03 0.00 0.70 0.00 0.00 55.95 59.18 1i2d s SER 427 Cb 0.03 -2.61 -0.01 0.00 -1.71 0.00 0.00 66.02 61.72 1i2d s SER 427 CO 0.22 -0.34 -0.06 -0.69 1.20 0.00 0.00 173.24 173.58 1i2d s VAL 428 N -0.13 3.41 -0.20 4.45 1.01 -1.26 -1.05 120.40 126.63 1i2d s VAL 428 Ca 0.52 -0.50 -0.04 0.00 0.00 0.00 0.00 61.98 61.96 1i2d s VAL 428 Cb -0.32 -2.52 -0.02 0.00 0.00 0.00 0.00 36.38 33.52 1i2d s VAL 428 CO 0.37 0.45 -0.02 -0.44 0.00 0.00 0.00 175.10 175.45 1i2d s SER 429 N 1.11 4.58 -0.23 3.32 0.01 -0.24 -4.97 113.70 117.28 1i2d s SER 429 Ca 0.01 -0.28 -0.07 0.00 1.31 0.00 0.00 55.95 56.92 1i2d s SER 429 Cb -0.15 -1.78 -0.03 0.00 0.21 0.00 0.00 66.02 64.27 1i2d s SER 429 CO -0.01 0.04 0.06 -0.22 0.41 0.00 0.00 173.24 173.52 1i2d s LEU 430 N 1.14 3.51 -0.55 2.44 2.96 -1.26 -1.05 118.68 125.88 1i2d s LEU 430 Ca 0.02 -0.13 0.04 0.00 -0.22 0.00 0.00 54.13 53.84 1i2d s LEU 430 Cb -0.15 -1.92 0.14 0.00 0.50 0.00 0.00 46.19 44.76 1i2d s LEU 430 CO 0.00 0.03 0.31 -0.76 -1.32 0.00 0.00 176.35 174.61 1i2d s LEU 431 N 1.23 4.27 0.43 -0.68 1.43 0.20 -4.99 118.68 120.57 1i2d s LEU 431 Ca 0.04 -3.16 -0.20 0.00 -1.03 0.00 0.00 54.13 49.79 1i2d s LEU 431 Cb -0.14 -1.58 -0.11 0.00 0.03 0.00 0.00 46.19 44.39 1i2d s LEU 431 CO 0.03 -0.20 0.93 -0.76 0.23 0.00 0.00 176.35 176.58 1i2d s LEU 432 N -0.48 3.92 0.21 1.79 1.43 -1.26 -0.37 118.68 123.93 1i2d s LEU 432 Ca 0.19 1.64 -0.18 0.00 -1.03 0.00 0.00 54.13 54.75 1i2d s LEU 432 Cb -0.21 -4.50 0.19 0.00 0.03 0.00 0.00 46.19 41.70 1i2d s LEU 432 CO -0.03 -0.37 1.58 1.23 0.23 0.00 0.00 176.35 178.99 1i2d h GLY 433 N 1.85 0.08 1.93 -3.19 0.00 -1.09 0.18 103.07 102.83 1i2d h GLY 433 Ca -0.49 0.41 -0.08 0.00 0.00 0.00 0.00 47.33 47.17 1i2d h GLY 433 CO 0.61 -0.23 -0.35 -0.55 0.00 0.00 0.00 176.54 176.03 1i2d h ASP 434 N -0.10 0.08 -0.20 0.19 5.19 -1.93 -0.74 116.42 118.91 1i2d h ASP 434 Ca 0.29 -0.03 -0.11 0.00 -0.62 0.00 0.00 57.03 56.56 1i2d h ASP 434 Cb 0.56 -0.02 -0.00 0.00 0.18 0.00 0.00 39.33 40.05 1i2d h ASP 434 CO -0.76 0.43 -0.31 0.74 -3.12 0.00 0.00 179.24 176.22 1i2d h THR 435 N 0.07 1.33 0.01 0.35 2.02 -1.13 -0.74 112.91 114.82 1i2d h THR 435 Ca 0.01 -1.52 0.02 0.00 0.77 0.00 0.00 66.41 65.68 1i2d h THR 435 Cb 0.65 1.83 -0.02 0.00 -1.74 0.00 0.00 68.15 68.87 1i2d h THR 435 CO 0.05 0.47 -0.10 0.58 0.37 0.00 0.00 175.52 176.89 1i2d h VAL 436 N 0.24 0.76 -0.82 3.16 2.07 -0.72 0.41 116.25 121.34 1i2d h VAL 436 Ca 0.02 0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.62 1i2d h VAL 436 Cb 0.89 0.76 -0.07 0.00 -1.52 0.00 0.00 31.29 31.35 1i2d h VAL 436 CO 0.07 0.00 0.48 0.03 0.02 0.00 0.00 177.57 178.17 1i2d h ARG 437 N -0.17 0.80 -0.01 1.57 2.47 -1.07 0.37 114.38 118.33 1i2d h ARG 437 Ca 0.03 -0.05 -0.07 0.00 -1.26 0.00 0.00 59.98 58.64 1i2d h ARG 437 Cb 0.21 -0.18 0.01 0.00 -1.65 0.00 0.00 29.97 28.36 1i2d h ARG 437 CO -0.09 0.53 -0.26 1.25 0.56 0.00 0.00 179.97 181.95 1i2d h HIS 438 N 0.82 0.29 0.02 3.04 2.76 -0.60 -0.78 115.15 120.69 1i2d h HIS 438 Ca 0.38 -0.15 -0.21 0.00 -2.20 0.00 0.00 60.37 58.20 1i2d h HIS 438 Cb 0.31 -0.04 -0.01 0.00 1.55 0.00 0.00 27.41 29.22 1i2d h HIS 438 CO -0.06 0.93 -0.94 0.93 -1.30 0.00 0.00 177.93 177.50 1i2d h GLU 439 N -0.44 0.16 0.00 5.26 4.39 0.06 -3.35 114.58 120.66 1i2d h GLU 439 Ca -0.03 -0.20 -0.04 0.00 0.34 0.00 0.00 59.36 59.43 1i2d h GLU 439 Cb 0.99 0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 29.70 1i2d h GLU 439 CO 0.05 0.98 -1.15 1.28 -1.16 0.00 0.00 179.01 179.01 1i2d n LEU 440 N -3.59 0.00 -2.29 1.33 4.77 0.12 -4.84 117.00 112.50 1i2d n LEU 440 Ca -0.03 0.00 -0.19 0.00 -0.03 0.00 0.00 56.01 55.76 1i2d n LEU 440 Cb 0.85 0.05 0.02 0.00 -2.33 0.00 0.00 43.42 42.02 1i2d n LEU 440 CO 0.48 0.05 0.13 -1.20 -1.33 0.00 0.00 177.39 175.52 1i2d n SER 441 N -2.07 4.05 0.31 -1.43 7.64 -0.73 -4.86 113.62 116.53 1i2d n SER 441 Ca -0.04 -3.35 0.19 0.00 1.01 0.00 0.00 58.87 56.68 1i2d n SER 441 Cb 0.56 -0.40 1.02 0.00 -1.01 0.00 0.00 64.21 64.38 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 2.38 0.00 -0.01 6.43 4.64 -1.27 -2.45 113.55 123.26 1i2d h SER 442 Ca 0.23 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.55 1i2d h SER 442 Cb 1.36 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.45 1i2d h SER 442 CO 0.65 0.00 -0.11 -0.62 -0.87 0.00 0.00 176.83 175.88 1i2d n GLU 443 N -3.25 1.31 -1.79 4.77 -0.58 -1.26 -5.01 120.64 114.83 1i2d n GLU 443 Ca -0.02 -1.10 -0.29 0.00 -0.42 0.00 0.00 57.16 55.33 1i2d n GLU 443 Cb 0.20 -1.24 0.09 0.00 -0.57 0.00 0.00 31.44 29.93 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 -1.44 2.46 0.00 -4.62 1.43 -0.93 -5.09 118.68 110.50 1i2d s LEU 444 Ca 0.14 0.92 0.00 0.00 -1.03 0.00 0.00 54.13 54.16 1i2d s LEU 444 Cb 0.11 -3.42 0.00 0.00 0.03 0.00 0.00 46.19 42.91 1i2d s LEU 444 CO 0.24 -1.97 0.00 0.61 0.23 0.00 0.00 176.35 175.46 1i2d n GLY 445 N -2.93 4.88 0.58 -3.19 0.00 -1.26 -5.07 105.19 98.20 1i2d n GLY 445 Ca 0.07 -1.83 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 -2.74 1.61 3.01 -1.26 -4.35 117.46 113.73 1i2d n PHE 446 Ca 0.00 -1.28 -0.38 0.00 1.01 0.00 0.00 57.45 56.80 1i2d n PHE 446 Cb 0.00 -0.22 -0.06 0.00 -0.01 0.00 0.00 39.48 39.19 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 -2.80 4.10 0.22 4.37 -4.23 -1.26 -4.78 115.64 111.26 1i2d s THR 447 Ca 0.36 1.82 -0.05 0.00 -1.18 0.00 0.00 61.69 62.64 1i2d s THR 447 Cb 0.35 -4.05 0.35 0.00 1.34 0.00 0.00 72.50 70.48 1i2d s THR 447 CO -0.06 0.22 1.20 -1.14 -0.54 0.00 0.00 174.62 174.30 1i2d n ARG 448 N 0.74 -0.07 -0.12 3.99 0.00 -1.26 -0.17 116.66 119.77 1i2d n ARG 448 Ca 0.01 1.19 -0.09 0.00 -0.00 0.00 0.00 57.85 58.96 1i2d n ARG 448 Cb 0.49 -1.80 -0.01 0.00 0.00 0.00 0.00 32.46 31.14 1i2d n ARG 448 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.63 178.56 1i2d h GLU 449 N 0.00 0.54 -0.84 -0.14 4.39 -1.99 -1.39 114.58 115.16 1i2d h GLU 449 Ca 0.39 -0.09 -0.03 0.00 0.34 0.00 0.00 59.36 59.96 1i2d h GLU 449 Cb 0.64 -0.09 -0.04 0.00 -0.10 0.00 0.00 28.75 29.17 1i2d h GLU 449 CO -0.78 0.51 0.39 -0.44 -1.16 0.00 0.00 179.01 177.54 1i2d h ASP 450 N 0.44 1.10 0.09 1.42 5.19 -0.88 0.55 116.42 124.34 1i2d h ASP 450 Ca 0.12 -0.14 -0.00 0.00 -0.62 0.00 0.00 57.03 56.39 1i2d h ASP 450 Cb 0.17 -0.28 0.00 0.00 0.18 0.00 0.00 39.33 39.40 1i2d h ASP 450 CO -0.01 0.94 -0.04 0.03 -3.12 0.00 0.00 179.24 177.03 1i2d h ARG 451 N 1.20 -0.11 -1.00 3.56 3.08 -1.05 -1.47 114.38 118.59 1i2d h ARG 451 Ca 0.29 0.01 0.20 0.00 0.07 0.00 0.00 59.98 60.54 1i2d h ARG 451 Cb 0.13 0.03 -0.11 0.00 0.08 0.00 0.00 29.97 30.10 1i2d h ARG 451 CO -0.03 0.30 0.61 1.25 -1.07 0.00 0.00 179.97 181.03 1i2d h HIS 452 N -0.57 1.05 -0.14 3.04 2.76 -1.12 0.16 115.15 120.33 1i2d h HIS 452 Ca -0.01 0.03 -0.00 0.00 -2.20 0.00 0.00 60.37 58.19 1i2d h HIS 452 Cb 0.47 -0.32 -0.01 0.00 1.55 0.00 0.00 27.41 29.11 1i2d h HIS 452 CO 0.07 0.22 0.07 1.15 -1.30 0.00 0.00 177.93 178.14 1i2d h THR 453 N 0.74 1.11 -0.13 6.26 2.02 -0.53 -2.01 112.91 120.37 1i2d h THR 453 Ca 0.58 -0.32 0.05 0.00 0.77 0.00 0.00 66.41 67.50 1i2d h THR 453 Cb 0.94 1.07 -0.06 0.00 -1.74 0.00 0.00 68.15 68.36 1i2d h THR 453 CO -0.39 0.10 -0.27 -1.13 0.37 0.00 0.00 175.52 174.21 1i2d h ASN 454 N 0.11 -0.84 -0.24 4.18 -0.00 0.04 -0.45 115.58 118.38 1i2d h ASN 454 Ca 0.05 0.13 0.02 0.00 -0.00 0.00 0.00 56.30 56.50 1i2d h ASN 454 Cb 0.10 0.36 -0.01 0.00 -0.00 0.00 0.00 38.32 38.77 1i2d h ASN 454 CO -0.01 -0.32 0.16 0.40 -0.00 0.00 0.00 177.43 177.67 1i2d h ILE 455 N -0.34 1.00 -0.43 2.57 1.08 -1.02 -0.52 117.51 119.85 1i2d h ILE 455 Ca 0.10 -0.08 -0.13 0.00 -0.39 0.00 0.00 64.86 64.36 1i2d h ILE 455 Cb 0.49 0.76 -0.01 0.00 -3.07 0.00 0.00 36.82 34.99 1i2d h ILE 455 CO -0.32 0.04 -0.26 1.56 -0.69 0.00 0.00 178.15 178.48 1i2d h GLN 456 N 0.23 0.91 -0.91 2.37 4.20 -0.37 -1.31 115.11 120.22 1i2d h GLN 456 Ca 0.10 -0.40 0.02 0.00 0.06 0.00 0.00 58.65 58.42 1i2d h GLN 456 Cb 0.12 -0.02 -0.05 0.00 0.30 0.00 0.00 27.48 27.83 1i2d h GLN 456 CO -0.02 1.06 0.60 0.00 -0.67 0.00 0.00 178.83 179.79 1i2d h ARG 457 N 0.77 1.17 0.12 1.46 3.08 0.24 0.12 114.38 121.34 1i2d h ARG 457 Ca 0.09 -0.07 -0.01 0.00 0.07 0.00 0.00 59.98 60.07 1i2d h ARG 457 Cb 0.82 -0.26 0.00 0.00 0.08 0.00 0.00 29.97 30.61 1i2d h ARG 457 CO 0.07 0.77 -0.06 0.82 -1.07 0.00 0.00 179.97 180.51 1i2d h ILE 458 N 1.20 0.98 -0.79 2.04 2.04 -0.88 -2.71 117.51 119.39 1i2d h ILE 458 Ca 0.34 -0.35 0.15 0.00 1.00 0.00 0.00 64.86 66.00 1i2d h ILE 458 Cb -0.10 1.20 -0.06 0.00 -0.74 0.00 0.00 36.82 37.13 1i2d h ILE 458 CO -0.09 0.09 0.52 0.00 0.00 0.00 0.00 178.15 178.67 1i2d h ALA 459 N 0.55 2.03 -0.21 1.87 0.00 -0.48 0.12 119.26 123.13 1i2d h ALA 459 Ca -0.02 0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.87 1i2d h ALA 459 Cb 0.26 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 1i2d h ALA 459 CO 0.03 -0.24 0.03 0.35 0.00 0.00 0.00 179.25 179.42 1i2d h PHE 460 N 0.50 0.38 -0.31 0.00 3.57 -0.52 -0.81 116.94 119.76 1i2d h PHE 460 Ca 0.39 -0.05 -0.10 0.00 3.53 0.00 0.00 57.97 61.74 1i2d h PHE 460 Cb 0.80 -0.10 -0.01 0.00 2.79 0.00 0.00 35.95 39.43 1i2d h PHE 460 CO -0.00 0.50 -0.19 0.28 -2.23 0.00 0.00 178.31 176.67 1i2d h VAL 461 N 0.15 1.29 -0.55 1.41 2.07 -1.10 -2.90 116.25 116.62 1i2d h VAL 461 Ca 0.06 -1.31 0.04 0.00 0.82 0.00 0.00 66.70 66.31 1i2d h VAL 461 Cb 0.32 1.48 -0.04 0.00 -1.52 0.00 0.00 31.29 31.53 1i2d h VAL 461 CO 0.00 0.42 0.31 0.00 0.02 0.00 0.00 177.57 178.33 1i2d h ALA 462 N 0.75 0.71 -0.11 1.67 0.00 -0.70 -1.68 119.26 119.90 1i2d h ALA 462 Ca 0.06 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.98 1i2d h ALA 462 Cb 0.73 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.39 1i2d h ALA 462 CO 0.05 -0.00 0.07 1.15 0.00 0.00 0.00 179.25 180.52 1i2d h THR 463 N 0.60 1.06 -0.79 0.00 2.02 -1.13 0.49 112.91 115.15 1i2d h THR 463 Ca 0.23 -0.14 0.03 0.00 0.77 0.00 0.00 66.41 67.30 1i2d h THR 463 Cb 0.09 0.94 -0.05 0.00 -1.74 0.00 0.00 68.15 67.40 1i2d h THR 463 CO -0.13 0.05 0.51 -0.33 0.37 0.00 0.00 175.52 175.99 1i2d h GLU 464 N 0.12 0.98 -0.27 6.66 4.39 -1.29 -0.50 114.58 124.67 1i2d h GLU 464 Ca 0.04 -0.06 -0.06 0.00 0.34 0.00 0.00 59.36 59.62 1i2d h GLU 464 Cb 0.02 -0.22 -0.01 0.00 -0.10 0.00 0.00 28.75 28.44 1i2d h GLU 464 CO -0.01 0.65 -0.07 -0.07 -1.16 0.00 0.00 179.01 178.35 1i2d h LEU 465 N 1.01 0.54 -0.81 1.33 3.38 -0.94 -2.57 115.31 117.25 1i2d h LEU 465 Ca 0.31 -0.37 0.08 0.00 0.09 0.00 0.00 57.88 57.99 1i2d h LEU 465 Cb -0.03 -0.15 -0.07 0.00 0.09 0.00 0.00 40.66 40.51 1i2d h LEU 465 CO -0.10 0.78 0.47 0.74 0.09 0.00 0.00 178.44 180.43 1i2d h THR 466 N 0.28 0.95 0.00 0.22 2.02 0.35 0.76 112.91 117.48 1i2d h THR 466 Ca 0.07 -0.28 -0.02 0.00 0.77 0.00 0.00 66.41 66.94 1i2d h THR 466 Cb 0.55 0.05 -0.00 0.00 -1.74 0.00 0.00 68.15 67.01 1i2d h THR 466 CO 0.03 0.15 -0.11 -0.09 0.37 0.00 0.00 175.52 175.87 1i2d h ARG 467 N 0.82 0.00 -0.37 6.66 2.43 -0.98 -0.89 114.38 122.05 1i2d h ARG 467 Ca 0.38 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.55 1i2d h ARG 467 Cb 0.30 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.85 1i2d h ARG 467 CO -0.22 0.11 0.00 0.00 -1.51 0.00 0.00 179.97 178.35 1i2d n ALA 468 N -2.45 2.45 -0.96 2.80 0.00 0.19 -4.91 120.51 117.63 1i2d n ALA 468 Ca -0.03 -0.68 0.00 0.00 0.00 0.00 0.00 53.44 52.73 1i2d n ALA 468 Cb 0.19 -0.98 0.00 0.00 0.00 0.00 0.00 19.45 18.65 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 1.14 0.49 3.94 0.00 0.00 -0.34 -4.93 105.19 105.50 1i2d n GLY 469 Ca 0.14 -0.91 -0.26 0.00 0.00 0.00 0.00 46.02 44.99 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 -2.00 3.15 -0.24 4.61 0.00 -0.80 -4.12 121.76 122.36 1i2d s ALA 470 Ca 0.00 -1.14 -0.02 0.00 0.00 0.00 0.00 51.96 50.81 1i2d s ALA 470 Cb 0.00 -2.49 0.02 0.00 0.00 0.00 0.00 23.12 20.65 1i2d s ALA 470 CO 0.00 -1.48 -0.07 0.00 0.00 0.00 0.00 175.76 174.22 1i2d s ALA 471 N -3.30 2.69 -0.13 0.00 0.00 -0.22 -1.62 121.76 119.19 1i2d s ALA 471 Ca 0.63 -1.39 -0.03 0.00 0.00 0.00 0.00 51.96 51.17 1i2d s ALA 471 Cb -0.09 -1.65 -0.03 0.00 0.00 0.00 0.00 23.12 21.35 1i2d s ALA 471 CO 0.46 -0.71 -0.01 0.08 0.00 0.00 0.00 175.76 175.58 1i2d s VAL 472 N 1.35 4.18 -0.19 0.00 1.01 -0.22 -1.08 120.40 125.45 1i2d s VAL 472 Ca 0.02 -0.27 0.01 0.00 0.00 0.00 0.00 61.98 61.73 1i2d s VAL 472 Cb -0.16 -2.81 0.04 0.00 0.00 0.00 0.00 36.38 33.45 1i2d s VAL 472 CO -0.05 0.53 -0.12 -0.63 0.00 0.00 0.00 175.10 174.83 1i2d s ILE 473 N -0.15 1.71 -0.02 2.22 1.01 -0.21 0.42 121.20 126.18 1i2d s ILE 473 Ca 0.04 -0.95 0.07 0.00 0.00 0.00 0.00 60.65 59.81 1i2d s ILE 473 Cb -0.13 -1.71 -0.02 0.00 0.01 0.00 0.00 42.46 40.62 1i2d s ILE 473 CO 0.02 0.27 -0.21 0.00 0.00 0.00 0.00 174.94 175.02 1i2d s ALA 474 N 1.39 1.79 -0.42 9.38 0.00 -0.51 0.61 121.76 134.00 1i2d s ALA 474 Ca 0.01 -0.92 0.05 0.00 0.00 0.00 0.00 51.96 51.10 1i2d s ALA 474 Cb -0.15 -0.46 0.20 0.00 0.00 0.00 0.00 23.12 22.70 1i2d s ALA 474 CO -0.09 0.44 0.45 0.00 0.00 0.00 0.00 175.76 176.55 1i2d n ALA 475 N 2.57 2.13 -2.02 0.00 0.00 0.51 -0.62 120.51 123.07 1i2d n ALA 475 Ca -0.15 -2.91 -0.19 0.00 0.00 0.00 0.00 53.44 50.18 1i2d n ALA 475 Cb 0.53 -0.86 0.04 0.00 0.00 0.00 0.00 19.45 19.16 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 -0.16 2.48 0.05 0.00 0.04 -1.21 -0.42 135.00 135.78 1i2d s PRO 476 Ca 0.33 -1.47 -0.20 0.00 0.04 0.00 0.00 61.00 59.71 1i2d s PRO 476 Cb 0.08 -2.67 -0.13 0.00 0.04 0.00 0.00 34.50 31.82 1i2d s PRO 476 CO -0.16 -0.67 1.38 0.82 0.04 0.00 0.00 177.00 178.41 1i2d h ILE 477 N 0.32 1.32 -6.27 0.56 2.04 -1.85 -3.39 117.51 110.24 1i2d h ILE 477 Ca -0.34 -1.23 -0.38 0.00 1.00 0.00 0.00 64.86 63.91 1i2d h ILE 477 Cb 1.28 1.75 0.04 0.00 -0.74 0.00 0.00 36.82 39.15 1i2d h ILE 477 CO 0.42 0.37 -0.81 0.00 0.00 0.00 0.00 178.15 178.14 1i2d n ALA 478 N -2.41 -2.63 0.19 1.87 0.00 -1.26 -2.94 120.51 113.33 1i2d n ALA 478 Ca -0.05 -0.23 0.04 0.00 0.00 0.00 0.00 53.44 53.19 1i2d n ALA 478 Cb 0.35 -2.46 0.43 0.00 0.00 0.00 0.00 19.45 17.76 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 -1.01 0.05 -5.22 0.00 0.11 -1.91 -3.44 132.00 120.58 1i2d h PRO 479 Ca -0.53 -0.01 -0.62 0.00 0.11 0.00 0.00 66.00 64.95 1i2d h PRO 479 Cb 1.30 -0.01 -0.17 0.00 0.11 0.00 0.00 31.00 32.23 1i2d h PRO 479 CO 0.41 0.29 -0.58 0.71 -0.21 0.00 0.00 178.00 178.62 1i2d s TYR 480 N -4.49 3.20 0.55 0.65 1.51 -1.26 0.79 117.35 118.30 1i2d s TYR 480 Ca -0.04 -0.03 0.28 0.00 -1.01 0.00 0.00 57.07 56.27 1i2d s TYR 480 Cb 0.15 -2.10 1.46 0.00 -0.11 0.00 0.00 41.96 41.36 1i2d s TYR 480 CO 0.71 0.05 1.94 1.49 -1.11 0.00 0.00 175.55 178.64 1i2d h GLU 481 N 6.97 0.00 -0.04 -0.62 4.57 -1.85 -1.79 114.58 121.82 1i2d h GLU 481 Ca -0.36 0.00 -0.00 0.00 -1.18 0.00 0.00 59.36 57.82 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 0.02 1.49 -1.18 0.00 0.00 179.01 180.01 1i2d h GLU 482 N 0.00 0.06 -0.69 1.92 4.81 -1.98 -1.66 114.58 117.04 1i2d h GLU 482 Ca 0.30 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.52 1i2d h GLU 482 Cb 1.27 -0.01 -0.03 0.00 0.63 0.00 0.00 28.75 30.61 1i2d h GLU 482 CO -0.00 0.15 0.44 0.77 -0.73 0.00 0.00 179.01 179.64 1i2d h SER 483 N -0.05 0.81 -0.45 1.04 0.02 -1.71 -1.67 113.55 111.55 1i2d h SER 483 Ca 0.01 -0.04 -0.01 0.00 -0.84 0.00 0.00 61.79 60.91 1i2d h SER 483 Cb 0.11 -0.20 -0.02 0.00 0.14 0.00 0.00 62.40 62.43 1i2d h SER 483 CO -0.00 0.61 0.23 0.03 -1.14 0.00 0.00 176.83 176.57 1i2d h ARG 484 N 0.94 0.64 -0.22 3.45 3.08 -1.26 -0.40 114.38 120.61 1i2d h ARG 484 Ca 0.25 -0.08 -0.07 0.00 0.07 0.00 0.00 59.98 60.14 1i2d h ARG 484 Cb -0.07 -0.12 -0.01 0.00 0.08 0.00 0.00 29.97 29.85 1i2d h ARG 484 CO -0.05 0.52 -0.19 -0.22 -1.07 0.00 0.00 179.97 178.97 1i2d h LYS 485 N 0.59 0.38 0.09 0.04 3.64 -1.07 0.88 116.57 121.12 1i2d h LYS 485 Ca 0.16 -0.12 -0.00 0.00 -1.27 0.00 0.00 60.65 59.42 1i2d h LYS 485 Cb 0.08 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 31.86 1i2d h LYS 485 CO -0.02 0.56 -0.04 0.35 -2.27 0.00 0.00 179.45 178.02 1i2d h PHE 486 N 0.35 -0.11 0.08 1.91 3.57 -0.52 0.61 116.94 122.82 1i2d h PHE 486 Ca 0.06 -0.00 0.02 0.00 3.53 0.00 0.00 57.97 61.58 1i2d h PHE 486 Cb 0.53 0.04 -0.04 0.00 2.79 0.00 0.00 35.95 39.27 1i2d h PHE 486 CO 0.01 -0.03 -0.32 0.00 -2.23 0.00 0.00 178.31 175.74 1i2d h ALA 487 N 0.76 -0.51 -0.94 2.41 0.00 -0.41 -1.31 119.26 119.25 1i2d h ALA 487 Ca -0.01 -0.04 0.11 0.00 0.00 0.00 0.00 54.91 54.97 1i2d h ALA 487 Cb 0.12 0.53 -0.08 0.00 0.00 0.00 0.00 17.79 18.36 1i2d h ALA 487 CO 0.02 -0.85 0.58 -0.09 0.00 0.00 0.00 179.25 178.91 1i2d h ARG 488 N -0.51 0.90 -0.48 0.00 2.43 -0.65 -1.77 114.38 114.29 1i2d h ARG 488 Ca 0.04 -0.05 -0.12 0.00 -0.81 0.00 0.00 59.98 59.04 1i2d h ARG 488 Cb 0.56 -0.20 -0.02 0.00 -0.42 0.00 0.00 29.97 29.90 1i2d h ARG 488 CO -0.21 0.59 -0.17 -0.44 -1.51 0.00 0.00 179.97 178.23 1i2d h ASP 489 N 0.92 0.94 -0.05 -3.80 3.32 -0.03 -1.85 116.42 115.87 1i2d h ASP 489 Ca 0.46 -0.33 -0.01 0.00 0.02 0.00 0.00 57.03 57.18 1i2d h ASP 489 Cb 0.45 -0.26 -0.00 0.00 0.22 0.00 0.00 39.33 39.74 1i2d h ASP 489 CO -0.26 1.09 0.00 0.00 -1.72 0.00 0.00 179.24 178.35 1i2d h ALA 490 N 0.98 0.07 -0.52 3.45 0.00 -0.78 -3.11 119.26 119.36 1i2d h ALA 490 Ca 0.12 -0.16 -0.02 0.00 0.00 0.00 0.00 54.91 54.85 1i2d h ALA 490 Cb 0.72 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.46 1i2d h ALA 490 CO 0.05 -0.27 0.25 0.28 0.00 0.00 0.00 179.25 179.56 1i2d h VAL 491 N -0.18 1.20 -0.17 0.00 2.07 -1.36 -2.29 116.25 115.53 1i2d h VAL 491 Ca 0.02 -0.56 0.05 0.00 0.82 0.00 0.00 66.70 67.02 1i2d h VAL 491 Cb 0.30 0.61 -0.01 0.00 -1.52 0.00 0.00 31.29 30.68 1i2d h VAL 491 CO 0.00 0.22 0.40 0.28 0.02 0.00 0.00 177.57 178.49 1i2d h SER 492 N 0.70 0.00 0.55 0.57 0.02 -1.29 0.85 113.55 114.95 1i2d h SER 492 Ca 0.18 0.00 -0.05 0.00 -0.84 0.00 0.00 61.79 61.07 1i2d h SER 492 Cb 0.12 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.66 1i2d h SER 492 CO -0.02 0.00 -0.26 1.56 -1.14 0.00 0.00 176.83 176.97 1i2d h GLN 493 N 0.00 0.00 0.00 3.45 1.08 -1.34 -3.28 115.11 115.02 1i2d h GLN 493 Ca 0.08 0.00 -0.00 0.00 -1.45 0.00 0.00 58.65 57.28 1i2d h GLN 493 Cb 0.87 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 28.30 1i2d h GLN 493 CO -0.00 0.26 -1.40 0.00 -0.95 0.00 0.00 178.83 176.74 1i2d n ALA 494 N -2.33 2.31 0.00 3.87 0.00 0.28 -5.10 120.51 119.54 1i2d n ALA 494 Ca -0.01 -0.21 0.00 0.00 0.00 0.00 0.00 53.44 53.21 1i2d n ALA 494 Cb 0.37 -0.29 0.00 0.00 0.00 0.00 0.00 19.45 19.53 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 2.01 -1.09 3.78 0.00 0.00 -0.03 -4.50 105.19 105.37 1i2d n GLY 495 Ca -0.02 -0.88 -0.37 0.00 0.00 0.00 0.00 46.02 44.75 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 7.14 -0.05 1.61 0.01 -1.26 -3.46 113.70 113.70 1i2d s SER 496 Ca 0.00 1.89 0.05 0.00 1.31 0.00 0.00 55.95 59.21 1i2d s SER 496 Cb 0.00 -2.58 -0.01 0.00 0.21 0.00 0.00 66.02 63.64 1i2d s SER 496 CO 0.00 -0.21 -0.21 0.12 0.41 0.00 0.00 173.24 173.35 1i2d s PHE 497 N -1.66 2.07 -0.08 2.43 5.36 -1.26 -0.66 117.98 124.17 1i2d s PHE 497 Ca 0.53 -0.59 0.02 0.00 -0.96 0.00 0.00 56.93 55.92 1i2d s PHE 497 Cb -0.19 -1.37 0.02 0.00 -0.34 0.00 0.00 43.02 41.14 1i2d s PHE 497 CO 0.24 -0.18 -0.12 -0.06 -1.46 0.00 0.00 175.22 173.64 1i2d s PHE 498 N -0.09 1.58 -0.25 10.12 0.40 -0.44 -4.95 117.98 124.36 1i2d s PHE 498 Ca -0.03 -0.66 -0.09 0.00 -0.60 0.00 0.00 56.93 55.56 1i2d s PHE 498 Cb -0.12 -1.18 -0.04 0.00 0.51 0.00 0.00 43.02 42.19 1i2d s PHE 498 CO 0.03 -0.36 0.11 -1.17 0.70 0.00 0.00 175.22 174.53 1i2d s LEU 499 N 0.90 3.73 -0.27 -0.37 2.96 -1.26 -0.48 118.68 123.89 1i2d s LEU 499 Ca -0.10 -0.07 -0.03 0.00 -0.22 0.00 0.00 54.13 53.71 1i2d s LEU 499 Cb -0.15 -2.00 0.03 0.00 0.50 0.00 0.00 46.19 44.56 1i2d s LEU 499 CO 0.01 0.00 -0.02 -0.69 -1.32 0.00 0.00 176.35 174.33 1i2d s VAL 500 N 1.40 3.14 -0.45 1.68 1.01 0.30 -0.53 120.40 126.96 1i2d s VAL 500 Ca 0.06 -1.02 -0.22 0.00 0.00 0.00 0.00 61.98 60.80 1i2d s VAL 500 Cb -0.15 -2.64 0.03 0.00 0.00 0.00 0.00 36.38 33.62 1i2d s VAL 500 CO 0.05 0.11 0.71 -2.28 0.00 0.00 0.00 175.10 173.70 1i2d s HIS 501 N 1.35 3.03 -1.02 5.22 2.46 0.13 -2.19 115.29 124.27 1i2d s HIS 501 Ca -0.00 0.04 -0.21 0.00 0.47 0.00 0.00 55.06 55.36 1i2d s HIS 501 Cb -0.17 -3.50 0.09 0.00 -0.13 0.00 0.00 32.58 28.86 1i2d s HIS 501 CO -0.02 -0.93 1.36 0.08 -2.47 0.00 0.00 174.74 172.76 1i2d s VAL 502 N 3.04 4.27 -0.70 0.89 1.01 -0.05 -1.61 120.40 127.26 1i2d s VAL 502 Ca 0.26 -1.23 0.00 0.00 0.00 0.00 0.00 61.98 61.01 1i2d s VAL 502 Cb -0.13 -4.97 0.00 0.00 0.00 0.00 0.00 36.38 31.28 1i2d s VAL 502 CO 0.21 -1.78 0.54 0.00 0.00 0.00 0.00 175.10 174.07 1i2d n ALA 503 N 7.89 2.28 -1.68 5.51 0.00 0.15 -4.36 120.51 130.30 1i2d n ALA 503 Ca 0.31 0.00 -0.47 0.00 0.00 0.00 0.00 53.44 53.28 1i2d n ALA 503 Cb 0.50 -1.00 -0.04 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 0.23 0.40 -1.69 0.00 -1.04 -1.25 -4.86 114.28 106.07 1i2d n THR 504 Ca 0.00 -0.07 -0.43 0.00 -2.04 0.00 0.00 64.05 61.51 1i2d n THR 504 Cb 0.27 -1.78 -0.01 0.00 -1.82 0.00 0.00 70.33 66.99 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 5.62 2.09 -0.33 -2.82 -0.02 -1.26 -4.69 135.00 133.59 1i2d n PRO 505 Ca 0.21 0.74 0.16 0.00 -2.02 0.00 0.00 63.50 62.59 1i2d n PRO 505 Cb 0.29 -2.34 0.40 0.00 -0.02 0.00 0.00 33.50 31.83 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 3.15 0.65 0.27 2.45 5.85 -1.99 -1.43 115.31 124.26 1i2d h LEU 506 Ca -0.45 0.09 -0.01 0.00 0.84 0.00 0.00 57.88 58.35 1i2d h LEU 506 Cb 1.28 -0.02 -0.00 0.00 0.37 0.00 0.00 40.66 42.28 1i2d h LEU 506 CO 0.67 0.20 -0.17 -0.33 -0.34 0.00 0.00 178.44 178.48 1i2d h GLU 507 N 0.61 -0.41 -0.47 1.25 3.07 -1.99 0.11 114.58 116.75 1i2d h GLU 507 Ca 0.57 0.03 0.08 0.00 -0.50 0.00 0.00 59.36 59.54 1i2d h GLU 507 Cb 1.10 0.09 -0.07 0.00 -0.84 0.00 0.00 28.75 29.03 1i2d h GLU 507 CO -0.34 -0.27 0.08 1.25 -1.40 0.00 0.00 179.01 178.33 1i2d h HIS 508 N -0.43 0.13 -0.22 4.33 2.76 -1.66 0.25 115.15 120.30 1i2d h HIS 508 Ca -0.03 0.03 0.01 0.00 -2.20 0.00 0.00 60.37 58.18 1i2d h HIS 508 Cb 0.35 0.01 -0.01 0.00 1.55 0.00 0.00 27.41 29.31 1i2d h HIS 508 CO -0.09 -0.02 0.13 0.00 -1.30 0.00 0.00 177.93 176.66 1i2d h GLU 510 N 0.27 0.72 0.00 0.00 4.81 -0.20 -2.77 114.58 117.41 1i2d h GLU 510 Ca 0.09 -0.21 -0.01 0.00 -0.13 0.00 0.00 59.36 59.10 1i2d h GLU 510 Cb -0.00 -0.08 -0.00 0.00 0.63 0.00 0.00 28.75 29.30 1i2d h GLU 510 CO -0.04 0.77 -0.03 1.96 -0.73 0.00 0.00 179.01 180.94 1i2d h GLN 511 N 0.57 0.00 -0.25 1.92 4.20 -0.30 -2.84 115.11 118.41 1i2d h GLN 511 Ca 0.12 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.83 1i2d h GLN 511 Cb 0.42 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.20 1i2d h GLN 511 CO 0.01 0.03 0.00 -1.13 -0.67 0.00 0.00 178.83 177.07 1i2d n SER 512 N -3.19 2.86 -4.57 1.46 3.41 -0.78 -4.94 113.62 107.87 1i2d n SER 512 Ca -0.01 -1.84 -0.40 0.00 -0.26 0.00 0.00 58.87 56.36 1i2d n SER 512 Cb 0.22 -0.16 -0.03 0.00 -0.26 0.00 0.00 64.21 63.98 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 -1.23 5.33 0.00 4.04 2.15 -1.07 -4.83 116.67 121.07 1i2d s ASP 513 Ca 0.27 1.07 0.30 0.00 0.43 0.00 0.00 52.55 54.61 1i2d s ASP 513 Cb 0.16 -2.52 1.49 0.00 -0.30 0.00 0.00 42.92 41.75 1i2d s ASP 513 CO 0.23 -2.19 2.00 0.29 -0.17 0.00 0.00 175.17 175.33 1i2d n LYS 514 N 8.82 1.01 -0.09 4.34 5.02 -1.26 -3.61 118.16 132.39 1i2d n LYS 514 Ca 0.26 -0.28 0.10 0.00 -2.02 0.00 0.00 58.31 56.38 1i2d n LYS 514 Cb 0.50 -1.49 0.14 0.00 -0.02 0.00 0.00 35.03 34.15 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 -0.75 2.13 -3.24 1.97 1.74 -1.26 -4.98 116.66 112.26 1i2d n ARG 515 Ca 0.19 -1.95 -0.23 0.00 -0.77 0.00 0.00 57.85 55.10 1i2d n ARG 515 Cb 0.22 -1.43 0.01 0.00 -1.02 0.00 0.00 32.46 30.24 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 1.24 -0.50 0.12 -0.13 0.00 -1.24 -4.86 105.19 99.82 1i2d n GLY 516 Ca 0.15 0.10 -0.21 0.00 0.00 0.00 0.00 46.02 46.06 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 -1.06 1.12 0.00 -0.61 2.04 -1.93 -2.69 117.51 114.38 1i2d h ILE 517 Ca -0.45 -2.39 -0.02 0.00 1.00 0.00 0.00 64.86 63.01 1i2d h ILE 517 Cb 1.31 2.76 -0.00 0.00 -0.74 0.00 0.00 36.82 40.15 1i2d h ILE 517 CO 0.54 0.66 -0.08 1.88 0.00 0.00 0.00 178.15 181.15 1i2d h TYR 518 N -0.44 0.00 0.74 1.37 -1.99 -1.92 -1.94 116.97 112.79 1i2d h TYR 518 Ca -0.27 0.00 -0.04 0.00 2.00 0.00 0.00 58.73 60.42 1i2d h TYR 518 Cb 1.64 0.00 0.01 0.00 2.00 0.00 0.00 36.73 40.38 1i2d h TYR 518 CO 0.14 0.08 -0.35 0.00 -0.00 0.00 0.00 178.16 178.02 1i2d h ALA 519 N 1.92 -0.99 -0.19 3.88 0.00 -1.92 -0.99 119.26 120.98 1i2d h ALA 519 Ca -0.00 -0.23 0.05 0.00 0.00 0.00 0.00 54.91 54.74 1i2d h ALA 519 Cb 0.17 0.38 -0.01 0.00 0.00 0.00 0.00 17.79 18.34 1i2d h ALA 519 CO 0.01 -0.98 0.14 0.00 0.00 0.00 0.00 179.25 178.41 1i2d h ALA 520 N -0.98 2.13 -0.19 0.00 0.00 -1.12 -0.78 119.26 118.33 1i2d h ALA 520 Ca -0.10 -0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.73 1i2d h ALA 520 Cb 0.78 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.58 1i2d h ALA 520 CO 0.17 -0.23 -0.18 0.00 0.00 0.00 0.00 179.25 179.00 1i2d h ALA 521 N 1.90 0.27 -0.30 0.00 0.00 -1.21 0.56 119.26 120.48 1i2d h ALA 521 Ca 0.09 -0.34 -0.02 0.00 0.00 0.00 0.00 54.91 54.64 1i2d h ALA 521 Cb 0.36 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.08 1i2d h ALA 521 CO -0.00 0.19 0.12 0.00 0.00 0.00 0.00 179.25 179.56 1i2d h ARG 522 N 0.11 0.41 -0.99 0.00 2.47 0.18 -0.81 114.38 115.75 1i2d h ARG 522 Ca 0.03 -0.05 -0.61 0.00 -1.26 0.00 0.00 59.98 58.09 1i2d h ARG 522 Cb 0.72 -0.08 -0.30 0.00 -1.65 0.00 0.00 29.97 28.66 1i2d h ARG 522 CO 0.05 0.35 0.77 2.89 0.56 0.00 0.00 179.97 184.58 1i2d n ARG 523 N -4.42 2.52 -0.68 0.04 1.85 -0.53 -4.92 116.66 110.53 1i2d n ARG 523 Ca 0.01 -3.19 -0.01 0.00 -1.00 0.00 0.00 57.85 53.66 1i2d n ARG 523 Cb 0.13 -2.24 -0.00 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 0.09 0.19 2.89 0.00 -0.31 -4.81 105.19 102.24 1i2d n GLY 524 Ca 0.61 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.78 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 -4.02 1.61 5.08 -0.08 -3.38 114.58 113.79 1i2d h GLU 525 Ca -0.02 0.00 -0.59 0.00 -1.00 0.00 0.00 59.36 57.75 1i2d h GLU 525 Cb 0.64 0.00 -0.39 0.00 0.50 0.00 0.00 28.75 29.50 1i2d h GLU 525 CO 0.03 0.00 -0.77 0.42 -1.00 0.00 0.00 179.01 177.69 1i2d s ILE 526 N -3.46 1.24 0.48 3.13 1.01 -1.12 -4.96 121.20 117.52 1i2d s ILE 526 Ca 0.03 -1.25 -0.21 0.00 0.00 0.00 0.00 60.65 59.22 1i2d s ILE 526 Cb 0.09 -1.70 -0.08 0.00 0.01 0.00 0.00 42.46 40.78 1i2d s ILE 526 CO 0.47 -0.32 1.06 -1.59 0.00 0.00 0.00 174.94 174.55 1i2d s LYS 527 N 1.49 3.76 -1.22 2.79 0.00 -1.26 -4.00 119.74 121.30 1i2d s LYS 527 Ca 0.01 1.45 -0.03 0.00 0.00 0.00 0.00 55.97 57.40 1i2d s LYS 527 Cb -0.18 -2.16 0.02 0.00 0.00 0.00 0.00 37.83 35.52 1i2d s LYS 527 CO -0.12 -0.48 0.22 0.41 0.00 0.00 0.00 175.35 175.39 1i2d n GLY 528 N -0.05 -0.50 3.69 0.59 0.00 -1.26 -4.93 105.19 102.72 1i2d n GLY 528 Ca 0.09 0.04 -0.42 0.00 0.00 0.00 0.00 46.02 45.73 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 -2.80 3.04 0.11 1.61 5.36 -1.26 -3.49 117.98 120.55 1i2d s PHE 529 Ca 0.16 1.03 -0.35 0.00 -0.96 0.00 0.00 56.93 56.80 1i2d s PHE 529 Cb -0.08 -3.54 -0.17 0.00 -0.34 0.00 0.00 43.02 38.89 1i2d s PHE 529 CO 0.20 -1.86 1.09 2.41 -1.46 0.00 0.00 175.22 175.60 1i2d n THR 530 N 4.61 0.59 0.00 0.12 -1.04 -1.26 -0.68 114.28 116.62 1i2d n THR 530 Ca 0.12 -0.15 0.00 0.00 -2.04 0.00 0.00 64.05 61.98 1i2d n THR 530 Cb 0.45 -0.50 0.00 0.00 -1.82 0.00 0.00 70.33 68.46 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 1.97 2.70 0.13 3.41 0.00 -0.60 -4.69 105.19 108.11 1i2d n GLY 531 Ca 0.17 -0.02 -0.28 0.00 0.00 0.00 0.00 46.02 45.89 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 0.00 1.53 0.00 1.61 0.31 -0.02 -4.95 118.33 116.80 1i2d n VAL 532 Ca 0.00 -0.33 0.00 0.00 -0.01 0.00 0.00 64.34 64.00 1i2d n VAL 532 Cb 0.00 -1.90 0.00 0.00 -0.91 0.00 0.00 33.84 31.03 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 -4.27 0.00 -4.53 4.52 8.00 0.14 -4.96 116.55 115.45 1i2d n ASP 533 Ca -0.51 0.00 -0.36 0.00 0.71 0.00 0.00 54.79 54.64 1i2d n ASP 533 Cb 0.85 -0.01 0.08 0.00 -0.02 0.00 0.00 41.12 42.02 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 -1.65 -0.54 -4.37 -2.24 9.92 -1.19 -4.92 116.55 111.57 1i2d n ASP 534 Ca 0.00 0.60 -0.27 0.00 -0.53 0.00 0.00 54.79 54.58 1i2d n ASP 534 Cb 0.00 -1.30 0.15 0.00 -0.64 0.00 0.00 41.12 39.33 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 1.08 -0.33 -0.24 0.04 -1.26 -1.56 135.00 129.62 1i2d s PRO 535 Ca 0.68 -0.65 -0.00 0.00 0.04 0.00 0.00 61.00 61.07 1i2d s PRO 535 Cb -0.33 -2.03 0.13 0.00 0.04 0.00 0.00 34.50 32.31 1i2d s PRO 535 CO 0.56 -2.02 0.24 -0.47 0.04 0.00 0.00 177.00 175.35 1i2d s TYR 536 N -3.60 0.19 -0.25 0.56 5.04 -1.26 -4.51 117.35 113.51 1i2d s TYR 536 Ca 0.71 -1.01 -0.29 0.00 -2.44 0.00 0.00 57.07 54.03 1i2d s TYR 536 Cb -0.05 -0.72 -0.03 0.00 0.35 0.00 0.00 41.96 41.52 1i2d s TYR 536 CO 0.50 -0.88 1.83 -1.21 -1.34 0.00 0.00 175.55 174.45 1i2d s GLU 537 N 1.62 3.49 0.26 4.97 2.02 0.24 -4.91 118.70 126.38 1i2d s GLU 537 Ca 0.14 1.68 -0.30 0.00 0.02 0.00 0.00 54.97 56.51 1i2d s GLU 537 Cb -0.18 -4.18 -0.11 0.00 0.10 0.00 0.00 34.13 29.77 1i2d s GLU 537 CO -0.15 -1.67 1.53 0.99 0.02 0.00 0.00 175.26 175.98 1i2d s THR 538 N 6.45 2.38 0.24 3.63 2.01 -1.26 -4.58 115.64 124.52 1i2d s THR 538 Ca 0.81 0.31 -0.30 0.00 0.31 0.00 0.00 61.69 62.82 1i2d s THR 538 Cb -0.26 -3.20 -0.10 0.00 0.01 0.00 0.00 72.50 68.95 1i2d s THR 538 CO 0.33 0.05 1.47 -2.84 -0.69 0.00 0.00 174.62 172.94 1i2d s PRO 539 N -0.20 4.24 -0.18 4.92 0.02 -1.26 -4.95 135.00 137.59 1i2d s PRO 539 Ca 0.63 2.34 -0.20 0.00 0.02 0.00 0.00 61.00 63.78 1i2d s PRO 539 Cb -0.45 -3.10 -0.21 0.00 0.02 0.00 0.00 34.50 30.75 1i2d s PRO 539 CO 0.43 -0.46 0.32 0.93 -0.33 0.00 0.00 177.00 177.89 1i2d h GLU 540 N 5.20 0.05 -2.68 5.54 4.39 -2.03 -3.43 114.58 121.61 1i2d h GLU 540 Ca -0.46 -0.08 -0.60 0.00 0.34 0.00 0.00 59.36 58.56 1i2d h GLU 540 Cb 1.22 0.03 -0.40 0.00 -0.10 0.00 0.00 28.75 29.49 1i2d h GLU 540 CO 0.79 1.04 -0.74 0.36 -1.16 0.00 0.00 179.01 179.30 1i2d n LYS 541 N -4.32 1.28 -2.63 2.33 0.00 -1.26 -5.10 118.16 108.46 1i2d n LYS 541 Ca -0.29 -3.99 -0.26 0.00 -0.00 0.00 0.00 58.31 53.77 1i2d n LYS 541 Cb 0.72 -2.01 0.02 0.00 -0.00 0.00 0.00 35.03 33.75 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 -1.04 3.45 -0.33 0.58 0.00 -1.26 -4.98 121.76 118.17 1i2d s ALA 542 Ca 0.30 -0.73 0.22 0.00 0.00 0.00 0.00 51.96 51.74 1i2d s ALA 542 Cb 0.02 -2.48 0.37 0.00 0.00 0.00 0.00 23.12 21.03 1i2d s ALA 542 CO -0.16 -0.56 1.61 -0.44 0.00 0.00 0.00 175.76 176.21 1i2d h ASP 543 N 0.10 0.00 -3.61 0.00 3.32 -1.19 -3.46 116.42 111.58 1i2d h ASP 543 Ca -0.46 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 56.58 1i2d h ASP 543 Cb 1.24 0.00 -0.22 0.00 0.22 0.00 0.00 39.33 40.57 1i2d h ASP 543 CO 0.60 0.11 0.17 -0.22 -1.72 0.00 0.00 179.24 178.18 1i2d s LEU 544 N -6.27 -0.73 -0.08 1.55 2.96 -1.01 -5.00 118.68 110.10 1i2d s LEU 544 Ca 0.06 1.35 0.04 0.00 -0.22 0.00 0.00 54.13 55.35 1i2d s LEU 544 Cb 0.06 2.33 0.00 0.00 0.50 0.00 0.00 46.19 49.08 1i2d s LEU 544 CO 0.68 -0.23 -0.20 -0.69 -1.32 0.00 0.00 176.35 174.59 1i2d s VAL 545 N 0.66 1.75 0.18 1.68 1.01 -1.26 -0.69 120.40 123.72 1i2d s VAL 545 Ca -0.02 -0.85 0.00 0.00 0.00 0.00 0.00 61.98 61.12 1i2d s VAL 545 Cb -0.05 -1.52 -0.04 0.00 0.00 0.00 0.00 36.38 34.76 1i2d s VAL 545 CO -0.05 0.49 0.06 0.68 0.00 0.00 0.00 175.10 176.28 1i2d s VAL 546 N 0.36 0.36 -0.19 2.92 -7.23 -0.63 -4.98 120.40 111.02 1i2d s VAL 546 Ca -0.15 -1.96 -0.04 0.00 -1.81 0.00 0.00 61.98 58.01 1i2d s VAL 546 Cb -0.16 -2.26 0.09 0.00 0.56 0.00 0.00 36.38 34.61 1i2d s VAL 546 CO 0.07 -0.31 0.23 -0.62 -0.31 0.00 0.00 175.10 174.16 1i2d s ASP 547 N -3.16 1.15 0.00 4.85 2.15 -1.26 0.32 116.67 120.72 1i2d s ASP 547 Ca 0.29 -0.06 0.11 0.00 0.43 0.00 0.00 52.55 53.33 1i2d s ASP 547 Cb 0.07 0.44 0.66 0.00 -0.30 0.00 0.00 42.92 43.79 1i2d s ASP 547 CO 0.06 -0.31 1.09 0.33 -0.17 0.00 0.00 175.17 176.18 1i2d n PHE 548 N 5.33 0.00 0.01 -5.34 7.35 -1.26 -0.30 117.46 123.24 1i2d n PHE 548 Ca -0.05 0.00 -0.19 0.00 -0.76 0.00 0.00 57.45 56.45 1i2d n PHE 548 Cb 0.50 0.00 -0.14 0.00 0.35 0.00 0.00 39.48 40.19 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 0.35 0.00 -2.13 0.02 -1.94 -3.41 113.55 106.44 1i2d h SER 549 Ca 0.00 -0.74 -0.17 0.00 -0.84 0.00 0.00 61.79 60.04 1i2d h SER 549 Cb 0.00 -0.11 -0.03 0.00 0.14 0.00 0.00 62.40 62.39 1i2d h SER 549 CO 0.00 1.66 -1.94 0.29 -1.14 0.00 0.00 176.83 175.70 1i2d n LYS 550 N -3.40 1.11 -4.50 3.45 5.02 -0.58 -5.02 118.16 114.23 1i2d n LYS 550 Ca -0.27 -0.06 -0.25 0.00 -2.02 0.00 0.00 58.31 55.70 1i2d n LYS 550 Cb 1.05 -1.40 -0.10 0.00 -0.02 0.00 0.00 35.03 34.56 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 -2.67 1.79 0.28 1.97 -0.21 0.58 -5.05 119.66 116.34 1i2d s GLN 551 Ca -0.07 -1.85 0.06 0.00 0.02 0.00 0.00 55.36 53.52 1i2d s GLN 551 Cb 0.07 -1.75 -0.02 0.00 1.00 0.00 0.00 33.01 32.30 1i2d s GLN 551 CO 0.65 0.22 0.37 -1.54 -2.12 0.00 0.00 175.29 172.87 1i2d s SER 552 N -3.57 6.03 0.20 5.90 1.04 -1.26 -4.31 113.70 117.72 1i2d s SER 552 Ca 0.32 -0.09 -0.15 0.00 0.48 0.00 0.00 55.95 56.51 1i2d s SER 552 Cb -0.01 -1.55 0.19 0.00 0.10 0.00 0.00 66.02 64.76 1i2d s SER 552 CO 0.16 -0.19 1.64 0.58 0.98 0.00 0.00 173.24 176.41 1i2d h VAL 553 N 1.14 0.44 -0.82 5.02 2.07 -1.96 0.79 116.25 122.92 1i2d h VAL 553 Ca -0.49 0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.11 1i2d h VAL 553 Cb 1.24 0.44 -0.06 0.00 -1.52 0.00 0.00 31.29 31.39 1i2d h VAL 553 CO 0.58 0.00 0.53 -0.09 0.02 0.00 0.00 177.57 178.62 1i2d h ARG 554 N -0.00 0.80 0.00 1.57 2.43 -1.98 0.12 114.38 117.32 1i2d h ARG 554 Ca 0.27 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.39 1i2d h ARG 554 Cb 0.41 -0.18 0.00 0.00 -0.42 0.00 0.00 29.97 29.78 1i2d h ARG 554 CO -0.58 0.53 -0.76 0.66 -1.51 0.00 0.00 179.97 178.31 1i2d h SER 555 N 0.83 0.00 -0.03 -3.80 4.64 -1.46 -2.16 113.55 111.57 1i2d h SER 555 Ca 0.37 -0.05 -0.01 0.00 -0.47 0.00 0.00 61.79 61.63 1i2d h SER 555 Cb 0.34 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.43 1i2d h SER 555 CO -0.14 0.02 -0.02 0.40 -0.87 0.00 0.00 176.83 176.22 1i2d h ILE 556 N 0.00 1.35 -0.99 0.95 2.04 0.20 0.99 117.51 122.04 1i2d h ILE 556 Ca 0.00 -1.07 0.13 0.00 1.00 0.00 0.00 64.86 64.93 1i2d h ILE 556 Cb 0.94 1.99 -0.09 0.00 -0.74 0.00 0.00 36.82 38.93 1i2d h ILE 556 CO 0.00 0.29 0.62 0.58 0.00 0.00 0.00 178.15 179.64 1i2d h VAL 557 N -0.35 0.88 -0.06 1.67 2.07 -0.84 0.13 116.25 119.76 1i2d h VAL 557 Ca 0.01 -0.32 -0.09 0.00 0.82 0.00 0.00 66.70 67.13 1i2d h VAL 557 Cb 0.47 -0.12 -0.01 0.00 -1.52 0.00 0.00 31.29 30.11 1i2d h VAL 557 CO 0.01 0.17 -0.36 -0.74 0.02 0.00 0.00 177.57 176.66 1i2d h HIS 558 N 0.92 0.13 -0.15 1.57 -0.00 -0.84 -0.92 115.15 115.85 1i2d h HIS 558 Ca 0.50 -0.03 -0.18 0.00 -0.00 0.00 0.00 60.37 60.67 1i2d h HIS 558 Cb 0.58 -0.03 -0.00 0.00 -0.00 0.00 0.00 27.41 27.96 1i2d h HIS 558 CO -0.00 0.46 -0.65 1.49 -0.00 0.00 0.00 177.93 179.23 1i2d h GLU 559 N 0.10 0.56 0.14 5.26 4.81 0.18 -1.69 114.58 123.93 1i2d h GLU 559 Ca 0.01 -0.40 -0.01 0.00 -0.13 0.00 0.00 59.36 58.83 1i2d h GLU 559 Cb 0.69 0.07 0.00 0.00 0.63 0.00 0.00 28.75 30.14 1i2d h GLU 559 CO 0.05 1.02 -0.07 0.82 -0.73 0.00 0.00 179.01 180.10 1i2d h ILE 560 N 0.41 0.96 -0.75 2.32 2.04 -0.76 -2.66 117.51 119.06 1i2d h ILE 560 Ca -0.01 -0.41 0.15 0.00 1.00 0.00 0.00 64.86 65.59 1i2d h ILE 560 Cb 1.22 1.21 -0.10 0.00 -0.74 0.00 0.00 36.82 38.41 1i2d h ILE 560 CO 0.12 0.10 0.28 0.40 0.00 0.00 0.00 178.15 179.04 1i2d h ILE 561 N -0.38 0.62 -0.37 -0.67 1.08 -1.18 0.21 117.51 116.83 1i2d h ILE 561 Ca -0.02 -0.14 0.00 0.00 -0.39 0.00 0.00 64.86 64.31 1i2d h ILE 561 Cb 0.30 0.18 -0.02 0.00 -3.07 0.00 0.00 36.82 34.22 1i2d h ILE 561 CO 0.03 0.07 0.23 -0.07 -0.69 0.00 0.00 178.15 177.73 1i2d h LEU 562 N 0.40 0.43 -0.08 1.44 3.38 -1.10 -0.44 115.31 119.34 1i2d h LEU 562 Ca 0.42 -0.02 -0.02 0.00 0.09 0.00 0.00 57.88 58.35 1i2d h LEU 562 Cb 0.66 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 41.30 1i2d h LEU 562 CO -0.43 0.32 -0.04 0.58 0.09 0.00 0.00 178.44 178.97 1i2d h VAL 563 N 0.50 1.33 -0.84 1.22 2.07 -0.29 -0.57 116.25 119.68 1i2d h VAL 563 Ca 0.13 -1.06 0.05 0.00 0.82 0.00 0.00 66.70 66.65 1i2d h VAL 563 Cb -0.04 1.87 -0.05 0.00 -1.52 0.00 0.00 31.29 31.55 1i2d h VAL 563 CO -0.03 0.29 0.55 -0.07 0.02 0.00 0.00 177.57 178.33 1i2d h LEU 564 N -0.21 0.85 -0.20 2.57 3.38 -1.00 -2.51 115.31 118.18 1i2d h LEU 564 Ca 0.02 -0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.93 1i2d h LEU 564 Cb 0.49 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.05 1i2d h LEU 564 CO 0.01 0.56 -0.11 -0.08 0.09 0.00 0.00 178.44 178.91 1i2d h GLU 565 N 0.97 0.43 -0.17 1.13 4.22 -0.87 -2.29 114.58 118.01 1i2d h GLU 565 Ca 0.35 -0.19 0.05 0.00 0.08 0.00 0.00 59.36 59.64 1i2d h GLU 565 Cb 0.14 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.37 1i2d h GLU 565 CO -0.12 0.73 0.13 0.66 -2.18 0.00 0.00 179.01 178.23 1i2d h SER 566 N 0.13 0.00 -0.15 1.04 4.64 -0.77 -1.53 113.55 116.90 1i2d h SER 566 Ca 0.04 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.36 1i2d h SER 566 Cb 0.61 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.70 1i2d h SER 566 CO 0.03 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 175.99 1i2d n GLN 567 N -4.38 1.81 -0.37 4.77 6.02 -0.98 -4.94 117.38 119.30 1i2d n GLN 567 Ca 0.01 -1.20 0.00 0.00 -0.01 0.00 0.00 57.00 55.80 1i2d n GLN 567 Cb 0.26 -1.42 0.00 0.00 1.02 0.00 0.00 30.24 30.10 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 1.18 0.70 0.25 1.08 0.00 -0.58 -4.92 105.19 102.90 1i2d n GLY 568 Ca 0.17 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 -0.29 1.61 -1.00 -1.60 -3.04 116.94 112.62 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 0.14 0.00 1.28 -1.61 0.00 0.00 178.31 178.12 1i2d n LEU 570 N -3.42 3.24 -4.11 1.54 4.77 -1.26 -4.42 117.00 113.35 1i2d n LEU 570 Ca -0.01 -1.40 -0.23 0.00 -0.03 0.00 0.00 56.01 54.35 1i2d n LEU 570 Cb 0.32 -0.18 0.20 0.00 -2.33 0.00 0.00 43.42 41.42 1i2d n LEU 570 CO 0.30 0.67 0.08 -0.62 -1.33 0.00 0.00 177.39 176.50 1i2d n GLU 571 N 1.36 -2.94 -3.70 3.23 -0.58 -1.18 -4.96 120.64 111.86 1i2d n GLU 571 Ca 0.17 -0.87 -0.37 0.00 -0.42 0.00 0.00 57.16 55.67 1i2d n GLU 571 Cb 0.57 -1.64 -0.06 0.00 -0.57 0.00 0.00 31.44 29.74 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 -3.94 3.72 0.00 3.49 3.00 -1.26 -4.86 118.95 119.09 1i2d s ARG 572 Ca 0.48 0.10 0.30 0.00 0.00 0.00 0.00 55.73 56.60 1i2d s ARG 572 Cb -0.09 -3.23 1.45 0.00 0.00 0.00 0.00 34.95 33.08 1i2d s ARG 572 CO 0.44 0.68 1.97 0.00 0.00 0.00 0.00 175.30 178.39