#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i1y s ALA 5 N 0.00 0.40 -0.03 7.54 0.00 -0.88 -2.75 121.76 126.04 3i1y s ALA 5 Ca 0.00 -1.12 0.03 0.00 0.00 0.00 0.00 51.96 50.87 3i1y s ALA 5 Cb 0.00 0.30 0.00 0.00 0.00 0.00 0.00 23.12 23.42 3i1y s ALA 5 CO 0.00 -0.39 -0.10 0.00 0.00 0.00 0.00 175.76 175.27 3i1y s ALA 6 N -3.89 0.97 -0.07 0.00 0.00 -0.31 -1.11 121.76 117.34 3i1y s ALA 6 Ca 0.07 -0.37 0.04 0.00 0.00 0.00 0.00 51.96 51.70 3i1y s ALA 6 Cb 0.07 -0.37 0.00 0.00 0.00 0.00 0.00 23.12 22.83 3i1y s ALA 6 CO -0.10 0.15 -0.20 0.08 0.00 0.00 0.00 175.76 175.69 3i1y s VAL 7 N 0.24 1.70 -0.03 0.00 1.01 -0.08 -1.35 120.40 121.90 3i1y s VAL 7 Ca -0.04 -0.83 0.07 0.00 0.00 0.00 0.00 61.98 61.17 3i1y s VAL 7 Cb -0.10 -1.48 -0.02 0.00 0.00 0.00 0.00 36.38 34.79 3i1y s VAL 7 CO 0.01 0.48 -0.24 -0.36 0.00 0.00 0.00 175.10 174.99 3i1y s PHE 8 N 0.30 2.17 0.75 5.22 0.40 -0.25 -1.13 117.98 125.45 3i1y s PHE 8 Ca -0.13 -0.48 -0.11 0.00 -0.60 0.00 0.00 56.93 55.61 3i1y s PHE 8 Cb -0.16 -1.41 0.04 0.00 0.51 0.00 0.00 43.02 42.01 3i1y s PHE 8 CO 0.06 -0.09 1.08 0.34 0.70 0.00 0.00 175.22 177.31 3i1y s ASP 9 N -0.42 4.83 0.00 1.36 2.15 -0.87 -1.34 116.67 122.38 3i1y s ASP 9 Ca 0.05 1.57 0.00 0.00 0.43 0.00 0.00 52.55 54.60 3i1y s ASP 9 Cb -0.10 -2.36 0.00 0.00 -0.30 0.00 0.00 42.92 40.16 3i1y s ASP 9 CO 0.00 -1.79 0.00 -0.11 -0.17 0.00 0.00 175.17 173.10 3i1y n LEU 10 N -3.35 0.98 -4.66 -1.34 7.94 -1.26 -2.61 117.00 112.70 3i1y n LEU 10 Ca 0.08 0.10 -0.45 0.00 -1.11 0.00 0.00 56.01 54.63 3i1y n LEU 10 Cb 0.54 -0.20 -0.04 0.00 0.53 0.00 0.00 43.42 44.26 3i1y n LEU 10 CO 0.55 -0.20 1.60 -0.67 -1.11 0.00 0.00 177.39 177.57 3i1y n ASP 11 N -1.46 3.77 0.00 1.96 4.64 -1.26 -0.64 116.55 123.56 3i1y n ASP 11 Ca 0.00 0.85 0.00 0.00 -1.38 0.00 0.00 54.79 54.26 3i1y n ASP 11 Cb 0.00 -1.47 0.00 0.00 -1.04 0.00 0.00 41.12 38.61 3i1y n ASP 11 CO 0.00 0.00 0.00 0.61 -0.82 0.00 0.00 177.20 176.99 3i1y n GLY 12 N 4.68 1.64 1.14 0.27 0.00 0.13 -4.67 105.19 108.38 3i1y n GLY 12 Ca 0.23 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.25 3i1y n GLY 12 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3i1y n VAL 13 N -2.00 1.09 1.06 1.61 0.31 -0.34 -4.71 118.33 115.36 3i1y n VAL 13 Ca 0.00 0.36 0.11 0.00 -0.01 0.00 0.00 64.34 64.81 3i1y n VAL 13 Cb 0.00 -1.47 0.09 0.00 -0.91 0.00 0.00 33.84 31.55 3i1y n VAL 13 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 3i1y n LEU 14 N -3.48 1.44 -3.75 7.52 4.77 0.19 -4.77 117.00 118.92 3i1y n LEU 14 Ca 0.00 -0.52 -0.14 0.00 -0.03 0.00 0.00 56.01 55.32 3i1y n LEU 14 Cb 0.00 -0.05 -0.15 0.00 -2.33 0.00 0.00 43.42 40.89 3i1y n LEU 14 CO 0.00 0.28 -0.25 0.00 -1.33 0.00 0.00 177.39 176.09 3i1y s ALA 15 N -2.64 -0.19 0.08 -1.18 0.00 -0.50 -0.65 121.76 116.68 3i1y s ALA 15 Ca 0.17 0.60 0.03 0.00 0.00 0.00 0.00 51.96 52.76 3i1y s ALA 15 Cb 0.18 -0.44 -0.03 0.00 0.00 0.00 0.00 23.12 22.82 3i1y s ALA 15 CO 0.63 -0.17 -0.08 -0.51 0.00 0.00 0.00 175.76 175.62 3i1y s LEU 16 N 1.23 2.38 0.43 0.00 1.43 0.22 -0.69 118.68 123.69 3i1y s LEU 16 Ca -0.08 -0.78 -0.23 0.00 -1.03 0.00 0.00 54.13 52.01 3i1y s LEU 16 Cb -0.12 -0.19 -0.09 0.00 0.03 0.00 0.00 46.19 45.83 3i1y s LEU 16 CO -0.05 -0.30 1.07 -2.16 0.23 0.00 0.00 176.35 175.13 3i1y s PRO 17 N -2.68 4.00 -0.11 1.29 0.04 -1.26 0.63 135.00 136.91 3i1y s PRO 17 Ca 0.02 1.52 -0.37 0.00 0.04 0.00 0.00 61.00 62.21 3i1y s PRO 17 Cb -0.03 -2.40 -0.14 0.00 0.04 0.00 0.00 34.50 31.97 3i1y s PRO 17 CO -0.01 -0.29 1.72 0.00 0.04 0.00 0.00 177.00 178.47 3i1y n ALA 18 N -0.37 0.27 -0.31 8.56 0.00 -1.26 -4.57 120.51 122.83 3i1y n ALA 18 Ca 0.06 0.37 0.08 0.00 0.00 0.00 0.00 53.44 53.96 3i1y n ALA 18 Cb 0.50 -2.32 0.30 0.00 0.00 0.00 0.00 19.45 17.93 3i1y n ALA 18 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3i1y h VAL 19 N 4.89 0.92 -1.06 0.00 2.07 -1.88 0.18 116.25 121.37 3i1y h VAL 19 Ca -0.47 -0.30 0.28 0.00 0.82 0.00 0.00 66.70 67.03 3i1y h VAL 19 Cb 1.30 -0.04 -0.09 0.00 -1.52 0.00 0.00 31.29 30.94 3i1y h VAL 19 CO 0.92 0.16 0.69 -0.26 0.02 0.00 0.00 177.57 179.11 3i1y h PHE 20 N 0.88 0.54 0.00 1.57 -1.00 -1.97 -0.49 116.94 116.47 3i1y h PHE 20 Ca 0.45 0.02 0.00 0.00 2.81 0.00 0.00 57.97 61.25 3i1y h PHE 20 Cb 0.51 -0.16 0.00 0.00 3.61 0.00 0.00 35.95 39.91 3i1y h PHE 20 CO -0.00 0.05 0.00 0.41 -1.61 0.00 0.00 178.31 177.15 3i1y n GLY 21 N -1.52 1.51 0.02 -1.45 0.00 0.63 -2.56 105.19 101.82 3i1y n GLY 21 Ca 0.25 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.36 3i1y n GLY 21 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 3i1y n VAL 22 N 0.10 0.15 1.96 1.61 3.14 -0.19 -3.53 118.33 121.57 3i1y n VAL 22 Ca 0.00 -0.53 0.13 0.00 -2.96 0.00 0.00 64.34 60.98 3i1y n VAL 22 Cb 0.28 -0.04 0.76 0.00 -1.06 0.00 0.00 33.84 33.78 3i1y n VAL 22 CO 0.00 0.00 0.00 0.18 -6.46 0.00 0.00 176.83 170.55 3i1y n LEU 23 N -2.30 0.00 -0.09 6.55 4.77 -1.06 -1.14 117.00 123.73 3i1y n LEU 23 Ca -0.07 0.00 -0.16 0.00 -0.03 0.00 0.00 56.01 55.75 3i1y n LEU 23 Cb 0.62 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.66 3i1y n LEU 23 CO 0.45 0.00 -0.94 0.61 -1.33 0.00 0.00 177.39 176.17 3i1y n GLY 24 N 0.87 -0.38 0.22 -0.72 0.00 -1.26 -4.22 105.19 99.71 3i1y n GLY 24 Ca 0.19 -0.17 -0.05 0.00 0.00 0.00 0.00 46.02 45.99 3i1y n GLY 24 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3i1y h ARG 25 N -0.77 -0.08 -0.76 1.61 2.47 -1.59 -1.51 114.38 113.75 3i1y h ARG 25 Ca -0.32 0.01 0.09 0.00 -1.26 0.00 0.00 59.98 58.50 3i1y h ARG 25 Cb 1.19 0.02 -0.07 0.00 -1.65 0.00 0.00 29.97 29.45 3i1y h ARG 25 CO -0.19 -0.06 0.41 1.15 0.56 0.00 0.00 179.97 181.84 3i1y h THR 26 N -0.09 0.87 0.34 2.04 2.02 -1.39 0.21 112.91 116.91 3i1y h THR 26 Ca 0.19 -0.23 -0.02 0.00 0.77 0.00 0.00 66.41 67.12 3i1y h THR 26 Cb 0.38 0.13 0.00 0.00 -1.74 0.00 0.00 68.15 66.92 3i1y h THR 26 CO -0.45 0.12 -0.16 -0.33 0.37 0.00 0.00 175.52 175.08 3i1y h GLU 27 N 0.68 -0.44 -0.15 6.66 5.08 -1.60 -0.58 114.58 124.24 3i1y h GLU 27 Ca 0.37 0.03 0.04 0.00 -1.00 0.00 0.00 59.36 58.80 3i1y h GLU 27 Cb 0.37 0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.71 3i1y h GLU 27 CO -0.26 -0.20 0.11 0.93 -1.00 0.00 0.00 179.01 178.59 3i1y h GLU 28 N -0.61 0.00 0.13 2.33 5.08 -0.68 0.60 114.58 121.44 3i1y h GLU 28 Ca -0.05 0.00 -0.29 0.00 -1.00 0.00 0.00 59.36 58.02 3i1y h GLU 28 Cb 0.44 0.00 0.02 0.00 0.50 0.00 0.00 28.75 29.71 3i1y h GLU 28 CO 0.08 0.00 -1.25 0.00 -1.00 0.00 0.00 179.01 176.84 3i1y h ALA 29 N 1.91 0.04 -0.34 3.43 0.00 -0.37 -3.24 119.26 120.69 3i1y h ALA 29 Ca 0.07 -0.80 0.00 0.00 0.00 0.00 0.00 54.91 54.18 3i1y h ALA 29 Cb 0.30 0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.17 3i1y h ALA 29 CO -0.00 0.77 0.00 -0.11 0.00 0.00 0.00 179.25 179.91 3i1y n LEU 30 N -3.72 2.92 -3.98 0.00 0.00 -0.24 -4.94 117.00 107.04 3i1y n LEU 30 Ca -0.12 -1.26 -0.29 0.00 0.00 0.00 0.00 56.01 54.34 3i1y n LEU 30 Cb 1.00 -0.22 -0.00 0.00 0.00 0.00 0.00 43.42 44.19 3i1y n LEU 30 CO 0.57 0.63 -0.08 0.00 0.00 0.00 0.00 177.39 178.51 3i1y n ALA 31 N 1.14 -1.66 -2.51 1.96 0.00 0.19 -4.97 120.51 114.66 3i1y n ALA 31 Ca 0.18 -0.08 -0.31 0.00 0.00 0.00 0.00 53.44 53.23 3i1y n ALA 31 Cb 0.52 -2.74 -0.04 0.00 0.00 0.00 0.00 19.45 17.18 3i1y n ALA 31 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3i1y s LEU 32 N -7.07 4.15 0.06 0.00 2.01 -0.04 -5.01 118.68 112.78 3i1y s LEU 32 Ca 0.34 0.77 -0.37 0.00 0.01 0.00 0.00 54.13 54.88 3i1y s LEU 32 Cb -0.18 -3.54 -0.17 0.00 0.01 0.00 0.00 46.19 42.30 3i1y s LEU 32 CO 0.87 -0.09 1.31 -2.65 1.01 0.00 0.00 176.35 176.81 3i1y n PRO 33 N -0.36 0.98 -1.62 1.29 -0.02 -1.26 -4.60 135.00 129.40 3i1y n PRO 33 Ca -0.01 0.35 -0.58 0.00 -2.02 0.00 0.00 63.50 61.25 3i1y n PRO 33 Cb 0.53 -1.98 -0.07 0.00 -0.02 0.00 0.00 33.50 31.96 3i1y n PRO 33 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 3i1y n ARG 34 N 2.46 0.68 0.00 -0.52 5.12 -1.26 -1.75 116.66 121.38 3i1y n ARG 34 Ca 0.19 0.25 0.00 0.00 -1.93 0.00 0.00 57.85 56.36 3i1y n ARG 34 Cb 0.17 -1.84 0.00 0.00 -1.16 0.00 0.00 32.46 29.63 3i1y n ARG 34 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3i1y n GLY 35 N 2.92 2.94 0.34 -0.13 0.00 -1.26 -4.91 105.19 105.10 3i1y n GLY 35 Ca 0.23 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.38 3i1y n GLY 35 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3i1y h LEU 36 N 0.00 -0.52 0.43 0.99 7.12 -1.68 -0.35 115.31 121.30 3i1y h LEU 36 Ca 0.00 0.28 -0.02 0.00 0.13 0.00 0.00 57.88 58.27 3i1y h LEU 36 Cb 0.00 0.50 0.00 0.00 -0.53 0.00 0.00 40.66 40.63 3i1y h LEU 36 CO 0.00 -0.35 -0.21 -0.07 -0.13 0.00 0.00 178.44 177.68 3i1y h LEU 37 N 0.01 -0.49 0.00 2.25 3.38 -1.82 -2.69 115.31 115.94 3i1y h LEU 37 Ca 0.58 0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.57 3i1y h LEU 37 Cb 1.17 0.13 0.00 0.00 0.09 0.00 0.00 40.66 42.05 3i1y h LEU 37 CO -0.93 -0.16 0.10 0.59 0.09 0.00 0.00 178.44 178.14 3i1y n ASN 38 N -4.65 0.00 -0.11 -0.43 3.02 -0.77 -0.89 115.26 111.43 3i1y n ASN 38 Ca -0.07 0.35 -0.22 0.00 -0.03 0.00 0.00 54.58 54.60 3i1y n ASN 38 Cb 0.23 -0.35 -0.10 0.00 -0.61 0.00 0.00 39.78 38.95 3i1y n ASN 38 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 3i1y n ASP 39 N -1.33 1.88 0.29 6.41 8.00 -0.21 -3.49 116.55 128.09 3i1y n ASP 39 Ca 0.00 0.42 0.16 0.00 0.71 0.00 0.00 54.79 56.08 3i1y n ASP 39 Cb 0.10 -0.93 0.90 0.00 -0.02 0.00 0.00 41.12 41.17 3i1y n ASP 39 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3i1y h ALA 40 N -0.64 1.32 -0.28 2.24 0.00 -0.94 0.40 119.26 121.36 3i1y h ALA 40 Ca -0.39 -0.04 -0.16 0.00 0.00 0.00 0.00 54.91 54.33 3i1y h ALA 40 Cb 1.30 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 19.08 3i1y h ALA 40 CO -0.24 0.05 -0.45 0.35 0.00 0.00 0.00 179.25 178.97 3i1y h PHE 41 N 0.00 0.89 -0.36 0.00 3.57 -1.16 -3.22 116.94 116.66 3i1y h PHE 41 Ca -0.00 -0.28 0.00 0.00 3.53 0.00 0.00 57.97 61.22 3i1y h PHE 41 Cb 0.14 -0.18 0.00 0.00 2.79 0.00 0.00 35.95 38.70 3i1y h PHE 41 CO 0.00 1.05 0.00 0.00 -2.23 0.00 0.00 178.31 177.13 3i1y n GLN 42 N -4.02 2.32 -1.68 1.11 10.64 -0.78 -4.52 117.38 120.45 3i1y n GLN 42 Ca -0.03 -2.10 -0.45 0.00 -1.83 0.00 0.00 57.00 52.59 3i1y n GLN 42 Cb 0.56 -1.41 -0.04 0.00 -0.86 0.00 0.00 30.24 28.49 3i1y n GLN 42 CO 0.00 0.00 0.00 1.17 -1.83 0.00 0.00 177.06 176.40 3i1y n LYS 43 N 1.14 2.36 0.00 2.61 4.81 0.06 -1.74 118.16 127.41 3i1y n LYS 43 Ca 0.16 0.86 0.00 0.00 -0.87 0.00 0.00 58.31 58.46 3i1y n LYS 43 Cb 0.51 -2.68 0.00 0.00 0.02 0.00 0.00 35.03 32.89 3i1y n LYS 43 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3i1y n GLY 44 N 3.85 0.09 7.00 3.14 0.00 -1.26 -4.11 105.19 113.90 3i1y n GLY 44 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.20 3i1y n GLY 44 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i1y n GLY 45 N -1.99 3.18 0.31 -0.02 0.00 -0.71 -1.28 105.19 104.68 3i1y n GLY 45 Ca 0.00 -0.01 0.01 0.00 0.00 0.00 0.00 46.02 46.02 3i1y n GLY 45 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3i1y h PRO 46 N 0.00 0.84 0.00 1.61 0.11 -1.94 -0.18 132.00 132.44 3i1y h PRO 46 Ca 0.00 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 66.06 3i1y h PRO 46 Cb 0.00 -0.19 0.00 0.00 0.11 0.00 0.00 31.00 30.92 3i1y h PRO 46 CO 0.00 0.56 0.00 0.39 -0.21 0.00 0.00 178.00 178.74 3i1y n GLU 47 N -4.68 0.17 -1.43 1.05 -0.58 -0.61 -4.50 120.64 110.05 3i1y n GLU 47 Ca 0.12 0.21 -0.34 0.00 -0.42 0.00 0.00 57.16 56.73 3i1y n GLU 47 Cb 0.20 -1.72 0.09 0.00 -0.57 0.00 0.00 31.44 29.44 3i1y n GLU 47 CO 0.00 0.00 0.00 0.20 -0.48 0.00 0.00 177.13 176.85 3i1y s GLY 48 N -3.39 2.35 0.22 0.62 0.00 -0.08 -4.86 107.32 102.17 3i1y s GLY 48 Ca 0.10 0.88 -0.08 0.00 0.00 0.00 0.00 44.72 45.62 3i1y s GLY 48 CO 0.51 1.29 1.76 0.00 0.00 0.00 0.00 173.10 176.67 3i1y h ALA 49 N -0.29 0.89 -0.93 3.20 0.00 -1.85 -2.52 119.26 117.76 3i1y h ALA 49 Ca -0.48 0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.50 3i1y h ALA 49 Cb 1.30 -0.00 -0.05 0.00 0.00 0.00 0.00 17.79 19.04 3i1y h ALA 49 CO 0.50 -0.11 0.59 1.15 0.00 0.00 0.00 179.25 181.37 3i1y h THR 50 N 0.51 1.25 -0.62 0.00 2.02 -1.85 0.22 112.91 114.44 3i1y h THR 50 Ca 0.33 -0.51 -0.04 0.00 0.77 0.00 0.00 66.41 66.97 3i1y h THR 50 Cb 0.37 -0.09 -0.03 0.00 -1.74 0.00 0.00 68.15 66.66 3i1y h THR 50 CO -0.28 0.25 0.24 0.74 0.37 0.00 0.00 175.52 176.84 3i1y h THR 51 N 1.28 1.23 -0.67 3.16 2.02 -1.66 0.86 112.91 119.13 3i1y h THR 51 Ca 0.34 -0.74 -0.03 0.00 0.77 0.00 0.00 66.41 66.75 3i1y h THR 51 Cb -0.10 0.56 -0.03 0.00 -1.74 0.00 0.00 68.15 66.84 3i1y h THR 51 CO -0.07 0.29 0.32 0.03 0.37 0.00 0.00 175.52 176.46 3i1y h ARG 52 N 0.87 0.97 -0.97 6.66 3.08 -1.06 -0.49 114.38 123.43 3i1y h ARG 52 Ca 0.21 -0.14 0.07 0.00 0.07 0.00 0.00 59.98 60.18 3i1y h ARG 52 Cb 0.22 -0.17 -0.07 0.00 0.08 0.00 0.00 29.97 30.03 3i1y h ARG 52 CO -0.02 0.77 0.63 1.25 -1.07 0.00 0.00 179.97 181.54 3i1y h LEU 53 N 0.93 1.00 0.00 3.04 7.12 -0.08 -0.53 115.31 126.79 3i1y h LEU 53 Ca 0.23 0.01 0.00 0.00 0.13 0.00 0.00 57.88 58.25 3i1y h LEU 53 Cb 0.12 -0.20 0.00 0.00 -0.53 0.00 0.00 40.66 40.05 3i1y h LEU 53 CO -0.03 0.63 -0.21 -0.03 -0.13 0.00 0.00 178.44 178.67 3i1y h MET 54 N 1.13 0.00 -0.00 1.25 4.05 -0.14 -3.13 114.93 118.08 3i1y h MET 54 Ca 0.42 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.84 3i1y h MET 54 Cb 0.19 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 30.99 3i1y h MET 54 CO -0.17 0.00 -0.55 1.63 0.23 0.00 0.00 176.91 178.06 3i1y n LYS 55 N -2.43 0.36 -0.46 0.39 5.02 -0.26 -1.67 118.16 119.11 3i1y n LYS 55 Ca 0.04 -0.25 0.00 0.00 -2.02 0.00 0.00 58.31 56.09 3i1y n LYS 55 Cb 0.46 -1.49 0.00 0.00 -0.02 0.00 0.00 35.03 33.98 3i1y n LYS 55 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3i1y n GLY 56 N 1.45 0.75 0.18 0.72 0.00 -0.95 -3.89 105.19 103.45 3i1y n GLY 56 Ca 0.07 -0.19 -0.11 0.00 0.00 0.00 0.00 46.02 45.80 3i1y n GLY 56 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3i1y h GLU 57 N 1.64 0.43 -4.90 1.61 5.08 -1.35 -3.46 114.58 113.64 3i1y h GLU 57 Ca 0.00 -0.36 -0.28 0.00 -1.00 0.00 0.00 59.36 57.72 3i1y h GLU 57 Cb 0.00 0.08 -0.15 0.00 0.50 0.00 0.00 28.75 29.18 3i1y h GLU 57 CO 0.00 1.00 -0.71 0.96 -1.00 0.00 0.00 179.01 179.26 3i1y s ILE 58 N -3.60 0.97 0.63 3.13 -4.36 -1.22 -5.00 121.20 111.75 3i1y s ILE 58 Ca -0.06 -2.00 -0.06 0.00 -0.26 0.00 0.00 60.65 58.27 3i1y s ILE 58 Cb 0.10 -1.77 0.03 0.00 1.25 0.00 0.00 42.46 42.07 3i1y s ILE 58 CO 0.85 -0.80 0.94 0.42 0.24 0.00 0.00 174.94 176.59 3i1y s THR 59 N -3.44 2.99 0.12 8.37 -4.23 -1.26 -4.56 115.64 113.64 3i1y s THR 59 Ca 0.15 -0.17 -0.20 0.00 -1.18 0.00 0.00 61.69 60.28 3i1y s THR 59 Cb 0.04 -3.22 -0.07 0.00 1.34 0.00 0.00 72.50 70.59 3i1y s THR 59 CO -0.02 -0.23 1.76 0.25 -0.54 0.00 0.00 174.62 175.84 3i1y h LEU 60 N -0.33 0.11 -1.50 4.79 5.85 -1.56 -0.81 115.31 121.86 3i1y h LEU 60 Ca -0.45 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.29 3i1y h LEU 60 Cb 1.29 -0.01 -0.02 0.00 0.37 0.00 0.00 40.66 42.28 3i1y h LEU 60 CO 0.60 0.09 0.30 0.28 -0.34 0.00 0.00 178.44 179.37 3i1y h SER 61 N 0.18 0.56 -0.33 1.25 0.02 -1.90 0.18 113.55 113.51 3i1y h SER 61 Ca 0.08 -0.02 -0.06 0.00 -0.84 0.00 0.00 61.79 60.95 3i1y h SER 61 Cb 0.03 -0.14 -0.02 0.00 0.14 0.00 0.00 62.40 62.41 3i1y h SER 61 CO -0.06 0.42 0.01 1.56 -1.14 0.00 0.00 176.83 177.62 3i1y h GLN 62 N 0.65 0.68 0.00 3.45 4.20 -1.80 -3.16 115.11 119.13 3i1y h GLN 62 Ca 0.17 -0.16 -0.19 0.00 0.06 0.00 0.00 58.65 58.54 3i1y h GLN 62 Cb -0.05 -0.09 -0.02 0.00 0.30 0.00 0.00 27.48 27.62 3i1y h GLN 62 CO -0.04 0.69 -0.87 2.35 -0.67 0.00 0.00 178.83 180.29 3i1y h TRP 63 N 0.65 0.08 -0.48 2.96 7.01 0.69 -3.35 115.95 123.51 3i1y h TRP 63 Ca 0.13 -0.05 0.10 0.00 2.11 0.00 0.00 58.89 61.18 3i1y h TRP 63 Cb 0.38 -0.01 -0.09 0.00 -2.10 0.00 0.00 29.16 27.34 3i1y h TRP 63 CO 0.02 0.89 -0.14 0.82 -2.79 0.00 0.00 178.44 177.24 3i1y h ILE 64 N 0.03 0.48 -0.70 2.65 1.08 -0.87 -0.94 117.51 119.25 3i1y h ILE 64 Ca -0.02 0.00 -0.02 0.00 -0.39 0.00 0.00 64.86 64.43 3i1y h ILE 64 Cb 1.52 0.48 -0.03 0.00 -3.07 0.00 0.00 36.82 35.72 3i1y h ILE 64 CO 0.12 0.00 0.37 -0.65 -0.69 0.00 0.00 178.15 177.30 3i1y h PRO 65 N -0.02 0.98 -0.92 2.37 0.11 -1.74 -2.85 132.00 129.93 3i1y h PRO 65 Ca 0.23 -0.12 0.02 0.00 0.11 0.00 0.00 66.00 66.24 3i1y h PRO 65 Cb 0.38 -0.19 -0.05 0.00 0.11 0.00 0.00 31.00 31.25 3i1y h PRO 65 CO -0.51 0.74 0.61 -0.07 -0.21 0.00 0.00 178.00 178.56 3i1y h LEU 66 N 0.96 1.03 -1.02 2.35 -0.00 -1.36 -1.99 115.31 115.29 3i1y h LEU 66 Ca 0.24 -0.02 -0.10 0.00 -0.00 0.00 0.00 57.88 58.01 3i1y h LEU 66 Cb 0.05 -0.25 -0.01 0.00 -0.00 0.00 0.00 40.66 40.45 3i1y h LEU 66 CO -0.04 0.73 -0.35 -0.03 -0.00 0.00 0.00 178.44 178.74 3i1y h MET 67 N 1.20 0.25 -0.15 1.13 1.85 -1.17 -2.88 114.93 115.16 3i1y h MET 67 Ca 0.35 -0.11 -0.06 0.00 -0.61 0.00 0.00 59.70 59.27 3i1y h MET 67 Cb -0.08 -0.01 -0.00 0.00 0.43 0.00 0.00 31.60 31.94 3i1y h MET 67 CO -0.09 0.58 -0.13 0.93 -0.40 0.00 0.00 176.91 177.81 3i1y h GLU 68 N 0.22 0.36 -0.68 0.39 5.08 -1.15 -1.70 114.58 117.11 3i1y h GLU 68 Ca 0.03 -0.18 0.09 0.00 -1.00 0.00 0.00 59.36 58.29 3i1y h GLU 68 Cb 0.73 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 29.92 3i1y h GLU 68 CO 0.06 0.72 0.33 0.93 -1.00 0.00 0.00 179.01 180.05 3i1y h GLU 69 N 0.00 0.56 -0.70 2.33 5.08 -1.42 -0.47 114.58 119.95 3i1y h GLU 69 Ca 0.03 -0.03 -0.00 0.00 -1.00 0.00 0.00 59.36 58.35 3i1y h GLU 69 Cb 0.64 -0.13 -0.03 0.00 0.50 0.00 0.00 28.75 29.73 3i1y h GLU 69 CO 0.03 0.37 0.43 -0.91 -1.00 0.00 0.00 179.01 177.93 3i1y h ASN 70 N 0.58 0.84 -0.32 1.42 4.21 -1.41 1.00 115.58 121.89 3i1y h ASN 70 Ca 0.33 -0.06 -0.05 0.00 1.21 0.00 0.00 56.30 57.73 3i1y h ASN 70 Cb 0.34 -0.21 -0.02 0.00 -1.12 0.00 0.00 38.32 37.30 3i1y h ASN 70 CO -0.26 0.66 0.06 0.00 -1.29 0.00 0.00 177.43 176.60 3i1y h ARG 72 N 0.61 -0.18 0.00 0.00 3.08 -0.69 -1.40 114.38 115.79 3i1y h ARG 72 Ca 0.13 0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.20 3i1y h ARG 72 Cb 0.29 0.04 0.00 0.00 0.08 0.00 0.00 29.97 30.38 3i1y h ARG 72 CO 0.00 0.17 0.00 0.87 -1.07 0.00 0.00 179.97 179.94 3i1y h LYS 73 N -0.55 0.00 0.03 0.04 1.79 -0.43 -0.81 116.57 116.65 3i1y h LYS 73 Ca -0.02 0.00 -0.31 0.00 -2.18 0.00 0.00 60.65 58.14 3i1y h LYS 73 Cb 0.43 0.00 -0.04 0.00 -1.58 0.00 0.00 32.23 31.03 3i1y h LYS 73 CO 0.03 0.00 -1.80 0.00 -1.08 0.00 0.00 179.45 176.60 3i1y h SER 75 N 0.02 0.00 -0.09 0.00 4.64 -0.97 -3.04 113.55 114.11 3i1y h SER 75 Ca -0.33 -0.04 -0.16 0.00 -0.47 0.00 0.00 61.79 60.79 3i1y h SER 75 Cb 2.03 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 64.12 3i1y h SER 75 CO 0.08 0.02 -0.57 -0.08 -0.87 0.00 0.00 176.83 175.41 3i1y h GLU 76 N 0.00 0.55 -0.32 4.77 4.81 -1.26 0.39 114.58 123.52 3i1y h GLU 76 Ca 0.00 -0.47 -0.15 0.00 -0.13 0.00 0.00 59.36 58.62 3i1y h GLU 76 Cb 0.91 0.10 -0.01 0.00 0.63 0.00 0.00 28.75 30.38 3i1y h GLU 76 CO 0.00 1.10 -0.39 0.00 -0.73 0.00 0.00 179.01 178.99 3i1y h THR 77 N 0.16 1.29 0.00 0.32 1.03 -1.67 -2.39 112.91 111.64 3i1y h THR 77 Ca -0.05 -1.56 0.00 0.00 -0.01 0.00 0.00 66.41 64.79 3i1y h THR 77 Cb 1.22 1.45 0.00 0.00 -1.07 0.00 0.00 68.15 69.76 3i1y h THR 77 CO 0.12 0.51 0.00 0.00 -0.01 0.00 0.00 175.52 176.14 3i1y n ALA 78 N -2.52 2.23 -3.48 0.00 0.00 -1.15 -4.91 120.51 110.68 3i1y n ALA 78 Ca -0.02 -0.12 -0.18 0.00 0.00 0.00 0.00 53.44 53.12 3i1y n ALA 78 Cb 0.53 -1.37 0.07 0.00 0.00 0.00 0.00 19.45 18.68 3i1y n ALA 78 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3i1y n LYS 79 N -1.21 -5.54 -4.31 0.00 5.02 -0.50 -5.03 118.16 106.58 3i1y n LYS 79 Ca 0.13 0.78 -0.19 0.00 -2.02 0.00 0.00 58.31 57.02 3i1y n LYS 79 Cb 0.15 -5.65 -0.09 0.00 -0.02 0.00 0.00 35.03 29.43 3i1y n LYS 79 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 3i1y s VAL 80 N -3.44 0.16 -0.09 -0.18 1.01 0.13 -5.02 120.40 112.96 3i1y s VAL 80 Ca 0.07 -2.00 -0.05 0.00 0.00 0.00 0.00 61.98 60.00 3i1y s VAL 80 Cb -0.01 -2.49 0.04 0.00 0.00 0.00 0.00 36.38 33.92 3i1y s VAL 80 CO 0.75 0.00 0.21 0.00 0.00 0.00 0.00 175.10 176.06 3i1y s LEU 82 N 1.09 3.66 0.00 0.00 2.34 -1.26 -5.03 118.68 119.47 3i1y s LEU 82 Ca -0.08 2.23 -0.05 0.00 0.06 0.00 0.00 54.13 56.29 3i1y s LEU 82 Cb -0.10 -4.58 0.08 0.00 -0.56 0.00 0.00 46.19 41.03 3i1y s LEU 82 CO -0.07 -1.44 0.19 -2.65 -1.06 0.00 0.00 176.35 171.32 3i1y n PRO 83 N -1.60 -2.38 0.00 1.48 -0.02 -1.26 -4.96 135.00 126.26 3i1y n PRO 83 Ca 0.12 -0.32 0.00 0.00 -2.02 0.00 0.00 63.50 61.29 3i1y n PRO 83 Cb 0.51 -0.38 0.00 0.00 -0.02 0.00 0.00 33.50 33.60 3i1y n PRO 83 CO 0.00 0.00 0.00 0.36 1.98 0.00 0.00 175.50 177.84 3i1y n LYS 84 N -2.68 0.00 -1.34 -0.52 2.85 -1.26 -3.88 118.16 111.33 3i1y n LYS 84 Ca 0.03 0.01 -0.23 0.00 -1.05 0.00 0.00 58.31 57.06 3i1y n LYS 84 Cb 0.12 -0.56 -0.09 0.00 -0.65 0.00 0.00 35.03 33.85 3i1y n LYS 84 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 177.40 177.44 3i1y n ASN 85 N -0.07 6.26 -4.56 -5.58 3.02 -1.26 -4.89 115.26 108.17 3i1y n ASN 85 Ca 0.00 -2.90 -0.39 0.00 -0.03 0.00 0.00 54.58 51.27 3i1y n ASN 85 Cb 0.00 -1.33 -0.03 0.00 -0.61 0.00 0.00 39.78 37.81 3i1y n ASN 85 CO 0.00 0.00 0.00 0.12 -2.62 0.00 0.00 177.26 174.76 3i1y s PHE 86 N -0.45 1.40 -0.35 3.10 5.36 -1.25 -4.94 117.98 120.85 3i1y s PHE 86 Ca 0.62 1.04 -0.10 0.00 -0.96 0.00 0.00 56.93 57.53 3i1y s PHE 86 Cb 0.33 -3.88 0.02 0.00 -0.34 0.00 0.00 43.02 39.15 3i1y s PHE 86 CO -0.12 -2.68 0.17 0.45 -1.46 0.00 0.00 175.22 171.57 3i1y s SER 87 N 9.40 5.58 0.23 6.13 0.15 -1.26 -4.95 113.70 128.99 3i1y s SER 87 Ca 0.84 -0.89 -0.02 0.00 0.70 0.00 0.00 55.95 56.58 3i1y s SER 87 Cb -0.18 -1.98 0.25 0.00 -1.71 0.00 0.00 66.02 62.40 3i1y s SER 87 CO 0.26 -0.32 1.65 -0.29 1.20 0.00 0.00 173.24 175.74 3i1y h ILE 88 N 5.87 1.27 -0.40 6.45 6.09 -1.95 -1.93 117.51 132.92 3i1y h ILE 88 Ca -0.27 -1.35 -0.05 0.00 -1.37 0.00 0.00 64.86 61.81 3i1y h ILE 88 Cb 1.11 1.30 -0.02 0.00 0.47 0.00 0.00 36.82 39.69 3i1y h ILE 88 CO 0.64 0.44 0.04 0.50 -3.07 0.00 0.00 178.15 176.70 3i1y h LYS 89 N 0.57 0.68 -0.52 2.19 3.64 -1.93 -2.04 116.57 119.16 3i1y h LYS 89 Ca 0.08 -0.20 0.04 0.00 -1.27 0.00 0.00 60.65 59.30 3i1y h LYS 89 Cb 0.74 -0.07 -0.04 0.00 -0.41 0.00 0.00 32.23 32.45 3i1y h LYS 89 CO 0.06 0.75 0.29 1.49 -2.27 0.00 0.00 179.45 179.77 3i1y h GLU 90 N 0.52 0.56 -0.24 1.90 4.81 -1.93 0.13 114.58 120.32 3i1y h GLU 90 Ca 0.12 -0.03 -0.01 0.00 -0.13 0.00 0.00 59.36 59.31 3i1y h GLU 90 Cb 0.41 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 29.66 3i1y h GLU 90 CO 0.01 0.37 0.12 0.82 -0.73 0.00 0.00 179.01 179.60 3i1y h ILE 91 N 0.57 1.13 -0.12 2.32 2.04 -1.24 -2.85 117.51 119.38 3i1y h ILE 91 Ca 0.22 -0.38 -0.13 0.00 1.00 0.00 0.00 64.86 65.57 3i1y h ILE 91 Cb 0.08 0.94 -0.01 0.00 -0.74 0.00 0.00 36.82 37.09 3i1y h ILE 91 CO -0.13 0.13 -0.51 -0.26 0.00 0.00 0.00 178.15 177.38 3i1y h PHE 92 N 0.26 0.39 0.54 1.37 -1.00 -1.09 -2.29 116.94 115.12 3i1y h PHE 92 Ca 0.08 -0.13 -0.02 0.00 2.81 0.00 0.00 57.97 60.72 3i1y h PHE 92 Cb 0.10 -0.08 -0.01 0.00 3.61 0.00 0.00 35.95 39.57 3i1y h PHE 92 CO -0.03 0.77 -0.38 -0.44 -1.61 0.00 0.00 178.31 176.62 3i1y h ASP 93 N 0.25 -0.99 0.76 2.17 3.32 -0.64 -0.56 116.42 120.72 3i1y h ASP 93 Ca 0.01 0.07 -0.04 0.00 0.02 0.00 0.00 57.03 57.09 3i1y h ASP 93 Cb 0.99 0.31 -0.01 0.00 0.22 0.00 0.00 39.33 40.84 3i1y h ASP 93 CO 0.08 -0.57 -0.18 0.07 -1.72 0.00 0.00 179.24 176.92 3i1y h LYS 94 N -0.89 0.00 0.17 3.56 2.10 -1.53 -0.82 116.57 119.16 3i1y h LYS 94 Ca -0.06 0.00 -0.01 0.00 -2.00 0.00 0.00 60.65 58.58 3i1y h LYS 94 Cb 0.75 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.08 3i1y h LYS 94 CO 0.03 0.18 -0.08 0.00 -2.00 0.00 0.00 179.45 177.57 3i1y h ALA 95 N 1.82 -0.23 -0.84 0.07 0.00 -1.17 -0.15 119.26 118.75 3i1y h ALA 95 Ca -0.00 -0.20 -0.02 0.00 0.00 0.00 0.00 54.91 54.68 3i1y h ALA 95 Cb 0.61 0.09 -0.04 0.00 0.00 0.00 0.00 17.79 18.45 3i1y h ALA 95 CO 0.02 -0.41 0.45 0.82 0.00 0.00 0.00 179.25 180.14 3i1y h ILE 96 N -0.67 1.25 -0.26 0.00 2.04 -0.96 -2.33 117.51 116.58 3i1y h ILE 96 Ca -0.02 -0.63 -0.12 0.00 1.00 0.00 0.00 64.86 65.09 3i1y h ILE 96 Cb 0.49 0.13 -0.01 0.00 -0.74 0.00 0.00 36.82 36.68 3i1y h ILE 96 CO 0.04 0.28 -0.32 -1.28 0.00 0.00 0.00 178.15 176.87 3i1y h SER 97 N 1.17 0.57 0.27 1.72 0.87 -1.17 -2.92 113.55 114.07 3i1y h SER 97 Ca 0.29 -0.22 -0.12 0.00 -1.23 0.00 0.00 61.79 60.51 3i1y h SER 97 Cb 0.04 -0.16 -0.01 0.00 -0.44 0.00 0.00 62.40 61.83 3i1y h SER 97 CO -0.05 0.85 -0.46 0.00 -0.53 0.00 0.00 176.83 176.64 3i1y h ALA 98 N 1.18 1.04 -2.33 6.23 0.00 -0.73 -3.43 119.26 121.21 3i1y h ALA 98 Ca 0.06 -0.45 -0.54 0.00 0.00 0.00 0.00 54.91 53.98 3i1y h ALA 98 Cb 0.79 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.49 3i1y h ALA 98 CO 0.06 0.63 1.05 0.50 0.00 0.00 0.00 179.25 181.49 3i1y s ARG 99 N -4.03 4.19 0.32 0.00 3.52 -0.90 -4.49 118.95 117.56 3i1y s ARG 99 Ca -0.04 2.24 0.05 0.00 -0.13 0.00 0.00 55.73 57.85 3i1y s ARG 99 Cb 0.13 -3.85 -0.06 0.00 -1.56 0.00 0.00 34.95 29.61 3i1y s ARG 99 CO 0.78 -0.80 0.03 0.15 -0.81 0.00 0.00 175.30 174.65 3i1y s LYS 100 N 3.51 1.66 0.42 5.12 1.02 0.21 -4.88 119.74 126.79 3i1y s LYS 100 Ca 0.74 -1.91 -0.26 0.00 0.02 0.00 0.00 55.97 54.56 3i1y s LYS 100 Cb -0.36 -1.01 -0.09 0.00 -0.52 0.00 0.00 37.83 35.85 3i1y s LYS 100 CO 0.31 -0.12 1.41 0.42 -0.92 0.00 0.00 175.35 176.45 3i1y s ILE 101 N -3.17 2.20 -1.02 2.17 1.01 -1.26 -0.61 121.20 120.52 3i1y s ILE 101 Ca 0.35 0.18 -0.19 0.00 0.00 0.00 0.00 60.65 60.99 3i1y s ILE 101 Cb 0.08 -3.11 0.12 0.00 0.01 0.00 0.00 42.46 39.55 3i1y s ILE 101 CO 0.15 0.03 1.29 0.21 0.00 0.00 0.00 174.94 176.62 3i1y s ASN 102 N -0.45 6.68 0.22 3.58 3.84 0.18 -4.72 114.94 124.27 3i1y s ASN 102 Ca 0.57 -2.09 -0.10 0.00 0.21 0.00 0.00 52.86 51.46 3i1y s ASN 102 Cb -0.43 -2.45 0.33 0.00 -0.55 0.00 0.00 41.25 38.15 3i1y s ASN 102 CO 0.57 -1.12 1.66 0.03 -2.79 0.00 0.00 177.10 175.45 3i1y h ARG 103 N 8.70 0.13 -0.53 0.43 2.47 -1.92 -0.76 114.38 122.90 3i1y h ARG 103 Ca 0.21 -0.01 -0.03 0.00 -1.26 0.00 0.00 59.98 58.90 3i1y h ARG 103 Cb 0.99 -0.03 -0.03 0.00 -1.65 0.00 0.00 29.97 29.25 3i1y h ARG 103 CO 1.22 0.08 0.21 -1.35 0.56 0.00 0.00 179.97 180.70 3i1y h PRO 104 N 0.13 0.75 -0.20 0.04 0.11 -1.99 -1.32 132.00 129.53 3i1y h PRO 104 Ca 0.34 -0.11 -0.13 0.00 0.11 0.00 0.00 66.00 66.22 3i1y h PRO 104 Cb 0.57 -0.14 -0.01 0.00 0.11 0.00 0.00 31.00 31.53 3i1y h PRO 104 CO -0.55 0.62 -0.41 1.98 -0.21 0.00 0.00 178.00 179.43 3i1y h MET 105 N 0.75 0.47 -0.32 1.05 4.05 -1.50 -2.48 114.93 116.96 3i1y h MET 105 Ca 0.18 -0.24 -0.06 0.00 -0.28 0.00 0.00 59.70 59.30 3i1y h MET 105 Cb 0.15 0.00 -0.01 0.00 -0.80 0.00 0.00 31.60 30.94 3i1y h MET 105 CO -0.02 0.80 -0.04 1.25 0.23 0.00 0.00 176.91 179.13 3i1y h LEU 106 N 0.39 0.58 -0.46 3.39 6.46 -0.82 -2.13 115.31 122.72 3i1y h LEU 106 Ca 0.03 -0.34 0.09 0.00 -0.12 0.00 0.00 57.88 57.54 3i1y h LEU 106 Cb 0.89 -0.16 -0.09 0.00 -0.73 0.00 0.00 40.66 40.57 3i1y h LEU 106 CO 0.08 0.79 -0.11 1.56 -0.62 0.00 0.00 178.44 180.13 3i1y h GLN 107 N 0.37 -0.00 -0.21 1.25 4.20 -1.17 0.23 115.11 119.78 3i1y h GLN 107 Ca 0.08 0.00 0.05 0.00 0.06 0.00 0.00 58.65 58.84 3i1y h GLN 107 Cb 0.51 0.00 -0.05 0.00 0.30 0.00 0.00 27.48 28.25 3i1y h GLN 107 CO 0.02 -0.00 -0.08 0.00 -0.67 0.00 0.00 178.83 178.10 3i1y h ALA 108 N 1.46 0.10 -0.56 3.87 0.00 -1.23 0.98 119.26 123.88 3i1y h ALA 108 Ca 0.22 0.08 0.07 0.00 0.00 0.00 0.00 54.91 55.28 3i1y h ALA 108 Cb 0.33 0.22 -0.06 0.00 0.00 0.00 0.00 17.79 18.28 3i1y h ALA 108 CO -0.47 -0.51 0.25 0.00 0.00 0.00 0.00 179.25 178.52 3i1y h ALA 109 N 1.14 0.72 0.35 0.00 0.00 -0.79 -0.68 119.26 120.00 3i1y h ALA 109 Ca 0.11 0.05 -0.00 0.00 0.00 0.00 0.00 54.91 55.06 3i1y h ALA 109 Cb 0.22 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 3i1y h ALA 109 CO -0.24 -0.12 -0.31 -0.07 0.00 0.00 0.00 179.25 178.50 3i1y h LEU 110 N 0.47 -0.83 -0.40 0.00 -0.00 0.61 -0.63 115.31 114.54 3i1y h LEU 110 Ca 0.26 0.07 0.06 0.00 -0.00 0.00 0.00 57.88 58.27 3i1y h LEU 110 Cb 0.24 0.27 -0.05 0.00 -0.00 0.00 0.00 40.66 41.12 3i1y h LEU 110 CO -0.22 -0.45 0.11 -0.03 -0.00 0.00 0.00 178.44 177.85 3i1y h MET 111 N -0.68 0.25 -0.61 1.13 4.05 -0.69 0.32 114.93 118.70 3i1y h MET 111 Ca -0.02 -0.01 0.09 0.00 -0.28 0.00 0.00 59.70 59.47 3i1y h MET 111 Cb 0.60 -0.06 -0.07 0.00 -0.80 0.00 0.00 31.60 31.28 3i1y h MET 111 CO -0.04 0.16 0.26 -0.07 0.23 0.00 0.00 176.91 177.46 3i1y h LEU 112 N 0.26 0.30 -0.55 3.39 3.38 -0.91 -0.54 115.31 120.64 3i1y h LEU 112 Ca 0.19 0.07 -0.13 0.00 0.09 0.00 0.00 57.88 58.09 3i1y h LEU 112 Cb 0.20 0.03 -0.01 0.00 0.09 0.00 0.00 40.66 40.97 3i1y h LEU 112 CO -0.22 0.18 -0.28 -0.09 0.09 0.00 0.00 178.44 178.12 3i1y h ARG 113 N 0.46 0.88 0.00 1.13 2.43 -0.33 -1.23 114.38 117.73 3i1y h ARG 113 Ca 0.30 -0.40 -0.01 0.00 -0.81 0.00 0.00 59.98 59.06 3i1y h ARG 113 Cb 0.33 -0.02 -0.00 0.00 -0.42 0.00 0.00 29.97 29.86 3i1y h ARG 113 CO -0.27 1.04 -0.06 -0.22 -1.51 0.00 0.00 179.97 178.95 3i1y h LYS 114 N 0.75 0.00 -0.69 0.20 3.64 0.73 -2.17 116.57 119.03 3i1y h LYS 114 Ca 0.09 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.47 3i1y h LYS 114 Cb 0.83 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.65 3i1y h LYS 114 CO 0.07 0.06 0.00 1.63 -2.27 0.00 0.00 179.45 178.94 3i1y n LYS 115 N -4.23 3.52 0.00 1.90 5.02 -0.32 -4.92 118.16 119.13 3i1y n LYS 115 Ca -0.03 -2.86 0.00 0.00 -2.02 0.00 0.00 58.31 53.40 3i1y n LYS 115 Cb 0.14 -1.83 0.00 0.00 -0.02 0.00 0.00 35.03 33.32 3i1y n LYS 115 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3i1y n GLY 116 N 1.31 1.50 3.77 0.72 0.00 -0.82 -5.06 105.19 106.61 3i1y n GLY 116 Ca 0.26 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.88 3i1y n GLY 116 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3i1y s PHE 117 N -2.03 3.08 -0.17 1.61 0.40 -0.49 -4.89 117.98 115.48 3i1y s PHE 117 Ca 0.00 1.47 -0.26 0.00 -0.60 0.00 0.00 56.93 57.54 3i1y s PHE 117 Cb 0.00 -3.59 -0.01 0.00 0.51 0.00 0.00 43.02 39.93 3i1y s PHE 117 CO 0.00 -1.66 0.86 0.99 0.70 0.00 0.00 175.22 176.12 3i1y s THR 118 N -1.20 4.85 0.15 0.64 2.01 -1.11 -4.26 115.64 116.73 3i1y s THR 118 Ca 0.51 1.70 0.07 0.00 0.31 0.00 0.00 61.69 64.27 3i1y s THR 118 Cb -0.37 -4.17 -0.04 0.00 0.01 0.00 0.00 72.50 67.93 3i1y s THR 118 CO 0.49 0.00 0.01 0.42 -0.69 0.00 0.00 174.62 174.85 3i1y s THR 119 N 2.25 3.85 -0.07 -0.82 -4.23 -1.26 -1.16 115.64 114.18 3i1y s THR 119 Ca 0.40 -1.30 -0.28 0.00 -1.18 0.00 0.00 61.69 59.33 3i1y s THR 119 Cb -0.17 -2.91 0.06 0.00 1.34 0.00 0.00 72.50 70.83 3i1y s THR 119 CO 0.12 -0.06 0.63 0.00 -0.54 0.00 0.00 174.62 174.77 3i1y s ALA 120 N -1.63 -1.61 -0.22 3.99 0.00 -0.45 -1.66 121.76 120.18 3i1y s ALA 120 Ca 0.27 1.26 -0.07 0.00 0.00 0.00 0.00 51.96 53.42 3i1y s ALA 120 Cb -0.10 -0.15 -0.03 0.00 0.00 0.00 0.00 23.12 22.84 3i1y s ALA 120 CO 0.19 -0.35 0.06 0.42 0.00 0.00 0.00 175.76 176.09 3i1y s ILE 121 N -0.98 4.52 -0.21 0.00 1.01 -0.49 -1.09 121.20 123.96 3i1y s ILE 121 Ca -0.10 -0.11 0.02 0.00 0.00 0.00 0.00 60.65 60.45 3i1y s ILE 121 Cb -0.01 -3.07 0.04 0.00 0.01 0.00 0.00 42.46 39.42 3i1y s ILE 121 CO 0.08 0.40 -0.13 -0.22 0.00 0.00 0.00 174.94 175.06 3i1y s LEU 122 N 1.01 2.61 0.02 2.97 1.98 -0.45 -0.33 118.68 126.49 3i1y s LEU 122 Ca 0.04 -0.98 0.01 0.00 -2.89 0.00 0.00 54.13 50.31 3i1y s LEU 122 Cb -0.14 -1.41 -0.01 0.00 0.66 0.00 0.00 46.19 45.29 3i1y s LEU 122 CO 0.03 -0.12 -0.05 0.28 -1.89 0.00 0.00 176.35 174.60 3i1y s THR 123 N 1.27 0.35 -0.21 3.68 -1.32 -0.92 -4.16 115.64 114.33 3i1y s THR 123 Ca -0.02 -0.63 -0.26 0.00 -1.21 0.00 0.00 61.69 59.57 3i1y s THR 123 Cb -0.16 -0.38 -0.01 0.00 -1.51 0.00 0.00 72.50 70.44 3i1y s THR 123 CO -0.09 -0.19 0.88 0.20 -2.21 0.00 0.00 174.62 173.22 3i1y s ASN 124 N -0.88 6.95 0.36 8.08 0.01 -1.26 -1.33 114.94 126.88 3i1y s ASN 124 Ca -0.06 1.18 -0.08 0.00 -0.71 0.00 0.00 52.86 53.19 3i1y s ASN 124 Cb -0.06 -2.47 0.03 0.00 0.41 0.00 0.00 41.25 39.16 3i1y s ASN 124 CO -0.00 -0.51 0.62 0.28 -1.51 0.00 0.00 177.10 175.98 3i1y s THR 125 N 2.66 0.00 0.29 1.60 -1.32 -1.26 -4.92 115.64 112.68 3i1y s THR 125 Ca 0.39 -1.33 0.05 0.00 -1.21 0.00 0.00 61.69 59.59 3i1y s THR 125 Cb -0.16 -2.74 -0.06 0.00 -1.51 0.00 0.00 72.50 68.03 3i1y s THR 125 CO 0.09 0.00 -0.01 -1.66 -2.21 0.00 0.00 174.62 170.83 3i1y s TRP 126 N -2.73 1.91 -0.53 9.09 -2.14 -1.26 -3.32 118.94 119.95 3i1y s TRP 126 Ca 0.24 -0.82 -0.26 0.00 2.66 0.00 0.00 56.10 57.92 3i1y s TRP 126 Cb -0.03 -1.16 0.03 0.00 -3.10 0.00 0.00 33.47 29.22 3i1y s TRP 126 CO 0.16 0.14 1.00 -0.51 -2.66 0.00 0.00 176.95 175.08 3i1y s LEU 127 N -3.44 3.92 -0.45 -4.66 1.43 -1.26 -4.97 118.68 109.25 3i1y s LEU 127 Ca 0.32 -0.10 -0.23 0.00 -1.03 0.00 0.00 54.13 53.09 3i1y s LEU 127 Cb 0.06 -3.03 0.03 0.00 0.03 0.00 0.00 46.19 43.28 3i1y s LEU 127 CO 0.13 -1.24 0.76 -0.62 0.23 0.00 0.00 176.35 175.60 3i1y s ASP 128 N 2.71 6.39 -0.10 2.29 -1.08 -1.26 -1.30 116.67 124.31 3i1y s ASP 128 Ca 0.36 -0.18 0.14 0.00 -0.52 0.00 0.00 52.55 52.34 3i1y s ASP 128 Cb -0.11 -2.37 0.41 0.00 -1.46 0.00 0.00 42.92 39.39 3i1y s ASP 128 CO 0.23 -0.89 1.32 -0.90 0.52 0.00 0.00 175.17 175.45 3i1y n ASP 129 N 6.63 3.34 -4.68 -0.34 5.75 -1.26 -4.87 116.55 121.13 3i1y n ASP 129 Ca 0.01 -2.59 -0.34 0.00 -0.01 0.00 0.00 54.79 51.86 3i1y n ASP 129 Cb 0.48 -0.39 0.12 0.00 -1.03 0.00 0.00 41.12 40.30 3i1y n ASP 129 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 3i1y n ARG 130 N -0.19 0.26 0.24 0.11 1.74 -1.26 -4.87 116.66 112.70 3i1y n ARG 130 Ca 0.16 0.16 0.10 0.00 -0.77 0.00 0.00 57.85 57.51 3i1y n ARG 130 Cb 0.67 -2.41 0.69 0.00 -1.02 0.00 0.00 32.46 30.40 3i1y n ARG 130 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3i1y h ALA 131 N -0.76 1.96 -0.70 7.54 0.00 -2.05 -2.37 119.26 122.88 3i1y h ALA 131 Ca -0.47 -0.00 -0.39 0.00 0.00 0.00 0.00 54.91 54.05 3i1y h ALA 131 Cb 1.30 0.00 -0.23 0.00 0.00 0.00 0.00 17.79 18.87 3i1y h ALA 131 CO 0.46 -0.06 0.26 -0.85 0.00 0.00 0.00 179.25 179.07 3i1y n GLU 132 N -4.41 2.19 0.29 0.00 0.00 -1.26 -4.66 120.64 112.80 3i1y n GLU 132 Ca -0.02 -3.20 0.18 0.00 0.00 0.00 0.00 57.16 54.13 3i1y n GLU 132 Cb 0.13 -2.04 0.85 0.00 0.00 0.00 0.00 31.44 30.39 3i1y n GLU 132 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 177.13 177.20 3i1y h ARG 133 N 1.18 0.00 0.00 3.44 0.11 -1.76 -3.11 114.38 114.24 3i1y h ARG 133 Ca 0.44 0.00 -0.04 0.00 0.10 0.00 0.00 59.98 60.48 3i1y h ARG 133 Cb 2.03 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 33.11 3i1y h ARG 133 CO 0.83 0.02 -0.18 0.22 0.10 0.00 0.00 179.97 180.96 3i1y h ASP 134 N 0.00 0.00 -0.62 0.08 -0.00 -1.85 -2.15 116.42 111.88 3i1y h ASP 134 Ca -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 57.03 57.03 3i1y h ASP 134 Cb 0.34 0.00 -0.03 0.00 -0.00 0.00 0.00 39.33 39.64 3i1y h ASP 134 CO 0.00 0.18 0.39 1.23 -0.00 0.00 0.00 179.24 181.04 3i1y h GLY 135 N 0.53 0.90 1.04 -0.78 0.00 -1.95 -0.31 103.07 102.51 3i1y h GLY 135 Ca -0.00 -0.36 -0.11 0.00 0.00 0.00 0.00 47.33 46.86 3i1y h GLY 135 CO 0.02 0.35 -0.14 -2.00 0.00 0.00 0.00 176.54 174.77 3i1y h LEU 136 N 0.85 0.91 -1.13 3.11 6.46 -1.62 -2.88 115.31 121.01 3i1y h LEU 136 Ca 0.23 -0.37 -0.05 0.00 -0.12 0.00 0.00 57.88 57.56 3i1y h LEU 136 Cb -0.05 -0.25 -0.02 0.00 -0.73 0.00 0.00 40.66 39.61 3i1y h LEU 136 CO -0.04 1.08 0.03 0.00 -0.62 0.00 0.00 178.44 178.89 3i1y h ALA 137 N 0.86 1.29 -0.33 1.25 0.00 -1.10 -1.75 119.26 119.48 3i1y h ALA 137 Ca 0.11 -0.21 -0.02 0.00 0.00 0.00 0.00 54.91 54.79 3i1y h ALA 137 Cb 0.70 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.30 3i1y h ALA 137 CO 0.05 0.48 0.12 1.96 0.00 0.00 0.00 179.25 181.86 3i1y h GLN 138 N 0.61 0.51 -0.02 0.00 4.20 -0.96 -1.39 115.11 118.06 3i1y h GLN 138 Ca 0.13 -0.10 -0.00 0.00 0.06 0.00 0.00 58.65 58.74 3i1y h GLN 138 Cb 0.34 -0.08 -0.00 0.00 0.30 0.00 0.00 27.48 28.04 3i1y h GLN 138 CO 0.01 0.53 0.01 1.25 -0.67 0.00 0.00 178.83 179.96 3i1y h LEU 139 N 0.39 0.02 -0.83 1.46 6.46 -1.27 -2.32 115.31 119.22 3i1y h LEU 139 Ca 0.11 -0.10 0.08 0.00 -0.12 0.00 0.00 57.88 57.85 3i1y h LEU 139 Cb 0.22 -0.01 -0.07 0.00 -0.73 0.00 0.00 40.66 40.08 3i1y h LEU 139 CO -0.01 0.12 0.50 0.24 -0.62 0.00 0.00 178.44 178.67 3i1y h MET 140 N -0.07 0.85 -0.34 1.25 2.86 -1.26 -1.12 114.93 117.10 3i1y h MET 140 Ca 0.01 -0.05 -0.00 0.00 -2.06 0.00 0.00 59.70 57.59 3i1y h MET 140 Cb 0.10 -0.19 -0.02 0.00 0.06 0.00 0.00 31.60 31.55 3i1y h MET 140 CO -0.00 0.56 0.20 0.00 1.06 0.00 0.00 176.91 178.74 3i1y h GLU 142 N 0.44 0.43 -0.13 0.00 4.81 -0.79 -3.00 114.58 116.35 3i1y h GLU 142 Ca 0.12 -0.03 -0.03 0.00 -0.13 0.00 0.00 59.36 59.29 3i1y h GLU 142 Cb 0.02 -0.09 -0.00 0.00 0.63 0.00 0.00 28.75 29.30 3i1y h GLU 142 CO -0.02 0.30 -0.03 -0.07 -0.73 0.00 0.00 179.01 178.45 3i1y h LEU 143 N 0.43 0.25 -0.89 1.64 3.38 -1.10 -3.32 115.31 115.70 3i1y h LEU 143 Ca 0.12 -0.37 0.12 0.00 0.09 0.00 0.00 57.88 57.84 3i1y h LEU 143 Cb -0.03 -0.07 -0.14 0.00 0.09 0.00 0.00 40.66 40.51 3i1y h LEU 143 CO -0.02 0.56 -0.45 0.50 0.09 0.00 0.00 178.44 179.12 3i1y h LYS 144 N -0.07 -0.05 -0.39 1.13 3.64 -0.02 -0.97 116.57 119.84 3i1y h LYS 144 Ca 0.03 0.00 0.11 0.00 -1.27 0.00 0.00 60.65 59.53 3i1y h LYS 144 Cb 0.45 0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 32.27 3i1y h LYS 144 CO 0.01 -0.04 0.52 0.00 -2.27 0.00 0.00 179.45 177.68 3i1y h MET 145 N -0.06 0.00 -0.01 1.90 -0.00 -1.63 -1.69 114.93 113.44 3i1y h MET 145 Ca 0.26 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.96 3i1y h MET 145 Cb 0.54 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.14 3i1y h MET 145 CO -0.90 0.00 -0.05 0.72 -0.00 0.00 0.00 176.91 176.68 3i1y n HIS 146 N -3.47 0.00 -4.31 -0.10 8.25 -0.37 -4.91 115.22 110.32 3i1y n HIS 146 Ca 0.07 0.00 -0.23 0.00 -0.26 0.00 0.00 57.72 57.30 3i1y n HIS 146 Cb 0.68 -0.02 -0.13 0.00 1.12 0.00 0.00 29.99 31.65 3i1y n HIS 146 CO 0.00 0.00 0.00 -0.06 0.64 0.00 0.00 176.34 176.92 3i1y s PHE 147 N -2.09 1.69 0.32 4.41 0.40 -0.64 -4.83 117.98 117.24 3i1y s PHE 147 Ca 0.35 -0.42 0.05 0.00 -0.60 0.00 0.00 56.93 56.32 3i1y s PHE 147 Cb 0.21 -0.94 0.54 0.00 0.51 0.00 0.00 43.02 43.33 3i1y s PHE 147 CO 0.37 0.17 1.79 -0.44 0.70 0.00 0.00 175.22 177.80 3i1y h ASP 148 N 4.21 0.37 -4.58 1.36 5.19 -1.61 -3.45 116.42 117.91 3i1y h ASP 148 Ca -0.45 -0.11 -0.17 0.00 -0.62 0.00 0.00 57.03 55.69 3i1y h ASP 148 Cb 1.18 -0.10 -0.23 0.00 0.18 0.00 0.00 39.33 40.36 3i1y h ASP 148 CO 0.40 0.60 -0.55 -0.36 -3.12 0.00 0.00 179.24 176.21 3i1y s PHE 149 N -4.55 0.02 -0.25 4.55 0.08 -1.05 -5.03 117.98 111.75 3i1y s PHE 149 Ca -0.06 -0.04 -0.00 0.00 0.12 0.00 0.00 56.93 56.94 3i1y s PHE 149 Cb 0.14 -0.04 0.07 0.00 -0.57 0.00 0.00 43.02 42.63 3i1y s PHE 149 CO 0.77 -0.20 0.02 -1.17 -0.10 0.00 0.00 175.22 174.54 3i1y s LEU 150 N -0.92 2.29 -0.31 -0.37 2.96 -1.26 -1.40 118.68 119.67 3i1y s LEU 150 Ca -0.10 -1.29 -0.10 0.00 -0.22 0.00 0.00 54.13 52.43 3i1y s LEU 150 Cb -0.06 -0.98 -0.01 0.00 0.50 0.00 0.00 46.19 45.65 3i1y s LEU 150 CO 0.01 -0.31 0.15 -0.63 -1.32 0.00 0.00 176.35 174.24 3i1y s ILE 151 N 1.54 4.60 -0.15 6.68 1.01 0.55 -4.98 121.20 130.45 3i1y s ILE 151 Ca 0.01 -0.41 -0.03 0.00 0.00 0.00 0.00 60.65 60.22 3i1y s ILE 151 Cb -0.18 -3.34 -0.03 0.00 0.01 0.00 0.00 42.46 38.93 3i1y s ILE 151 CO -0.12 0.08 -0.03 -1.61 0.00 0.00 0.00 174.94 173.25 3i1y s GLU 152 N 1.61 3.58 0.20 2.79 2.02 -1.26 -2.16 118.70 125.49 3i1y s GLU 152 Ca 0.05 -0.51 -0.11 0.00 0.02 0.00 0.00 54.97 54.42 3i1y s GLU 152 Cb -0.17 -2.89 0.24 0.00 0.10 0.00 0.00 34.13 31.41 3i1y s GLU 152 CO 0.06 0.30 1.72 0.66 0.02 0.00 0.00 175.26 178.02 3i1y h SER 153 N 6.51 0.07 0.40 -0.19 4.64 -1.41 -0.43 113.55 123.14 3i1y h SER 153 Ca -0.33 0.09 0.00 0.00 -0.47 0.00 0.00 61.79 61.08 3i1y h SER 153 Cb 1.19 0.11 0.00 0.00 -0.31 0.00 0.00 62.40 63.39 3i1y h SER 153 CO 0.62 0.06 0.00 0.00 -0.87 0.00 0.00 176.83 176.64 3i1y n GLN 155 N -1.46 0.67 0.00 0.00 -0.06 -0.24 -4.00 117.38 112.28 3i1y n GLN 155 Ca 0.04 0.12 0.13 0.00 -2.00 0.00 0.00 57.00 55.29 3i1y n GLN 155 Cb 0.14 -1.55 0.37 0.00 -4.06 0.00 0.00 30.24 25.14 3i1y n GLN 155 CO 0.00 0.00 0.00 1.33 -0.20 0.00 0.00 177.06 178.19 3i1y n VAL 156 N -3.14 0.00 -0.81 1.69 0.24 -0.79 -4.92 118.33 110.59 3i1y n VAL 156 Ca -0.40 -0.13 0.00 0.00 -2.04 0.00 0.00 64.34 61.77 3i1y n VAL 156 Cb 1.04 0.41 0.00 0.00 -1.47 0.00 0.00 33.84 33.82 3i1y n VAL 156 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3i1y n GLY 157 N 1.35 0.58 3.72 7.63 0.00 -0.41 -4.98 105.19 113.08 3i1y n GLY 157 Ca 0.12 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.91 3i1y n GLY 157 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3i1y s MET 158 N -0.42 2.58 0.02 1.61 -1.94 -1.20 -4.85 119.30 115.09 3i1y s MET 158 Ca 0.00 -1.25 0.06 0.00 -1.71 0.00 0.00 55.69 52.79 3i1y s MET 158 Cb 0.00 -2.34 -0.02 0.00 2.01 0.00 0.00 34.83 34.48 3i1y s MET 158 CO 0.00 0.38 -0.17 0.08 -0.01 0.00 0.00 175.02 175.30 3i1y s VAL 159 N -2.23 1.39 0.32 -6.03 1.01 -1.26 -4.39 120.40 109.21 3i1y s VAL 159 Ca 0.32 -0.95 0.31 0.00 0.00 0.00 0.00 61.98 61.66 3i1y s VAL 159 Cb -0.07 -1.20 0.33 0.00 0.00 0.00 0.00 36.38 35.44 3i1y s VAL 159 CO 0.22 0.23 2.05 0.07 0.00 0.00 0.00 175.10 177.66 3i1y h LYS 160 N 5.24 0.00 -0.48 2.72 2.10 -1.96 -0.12 116.57 124.07 3i1y h LYS 160 Ca -0.39 0.00 -0.00 0.00 -2.00 0.00 0.00 60.65 58.26 3i1y h LYS 160 Cb 1.16 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 32.47 3i1y h LYS 160 CO 0.46 0.09 0.29 -1.35 -2.00 0.00 0.00 179.45 176.94 3i1y h PRO 161 N 0.00 0.64 -6.61 0.07 0.11 -1.92 -3.44 132.00 120.85 3i1y h PRO 161 Ca -0.00 -0.05 -0.58 0.00 0.11 0.00 0.00 66.00 65.48 3i1y h PRO 161 Cb 0.41 -0.14 0.08 0.00 0.11 0.00 0.00 31.00 31.47 3i1y h PRO 161 CO 0.01 0.46 0.61 0.39 -0.21 0.00 0.00 178.00 179.26 3i1y n GLU 162 N -4.72 2.06 0.27 1.05 1.02 -0.06 -4.85 120.64 115.40 3i1y n GLU 162 Ca 0.02 0.73 0.14 0.00 -0.02 0.00 0.00 57.16 58.03 3i1y n GLU 162 Cb 0.05 -2.39 0.71 0.00 -0.02 0.00 0.00 31.44 29.79 3i1y n GLU 162 CO 0.00 0.00 0.00 -1.35 1.18 0.00 0.00 177.13 176.96 3i1y h PRO 163 N 4.10 0.00 -0.87 3.49 0.11 -1.85 -3.01 132.00 133.97 3i1y h PRO 163 Ca -0.45 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.66 3i1y h PRO 163 Cb 1.27 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 32.34 3i1y h PRO 163 CO 0.75 0.10 0.54 -0.56 -0.21 0.00 0.00 178.00 178.62 3i1y h GLN 164 N 0.00 1.17 0.00 1.05 3.07 -1.90 -2.24 115.11 116.25 3i1y h GLN 164 Ca -0.00 -0.09 -0.08 0.00 0.09 0.00 0.00 58.65 58.57 3i1y h GLN 164 Cb 0.44 -0.25 -0.01 0.00 0.08 0.00 0.00 27.48 27.74 3i1y h GLN 164 CO 0.01 0.80 -0.36 0.97 0.09 0.00 0.00 178.83 180.35 3i1y h ILE 165 N 1.19 1.00 -0.29 1.86 2.10 -1.80 -1.98 117.51 119.58 3i1y h ILE 165 Ca 0.31 -1.36 -0.19 0.00 1.08 0.00 0.00 64.86 64.71 3i1y h ILE 165 Cb -0.07 1.79 0.00 0.00 -1.09 0.00 0.00 36.82 37.45 3i1y h ILE 165 CO -0.06 0.35 -0.54 1.88 -1.08 0.00 0.00 178.15 178.70 3i1y h TYR 166 N 0.00 1.11 -0.47 2.19 -1.99 -1.55 0.33 116.97 116.59 3i1y h TYR 166 Ca -0.00 -0.39 -0.07 0.00 2.00 0.00 0.00 58.73 60.26 3i1y h TYR 166 Cb 0.76 -0.21 -0.02 0.00 2.00 0.00 0.00 36.73 39.26 3i1y h TYR 166 CO 0.00 1.23 -0.00 0.87 -0.00 0.00 0.00 178.16 180.25 3i1y h LYS 167 N 0.68 0.78 -0.33 4.88 1.79 -1.31 -2.11 116.57 120.95 3i1y h LYS 167 Ca 0.02 -0.21 -0.01 0.00 -2.18 0.00 0.00 60.65 58.27 3i1y h LYS 167 Cb 1.15 -0.09 -0.02 0.00 -1.58 0.00 0.00 32.23 31.70 3i1y h LYS 167 CO 0.12 0.79 0.16 0.35 -1.08 0.00 0.00 179.45 179.79 3i1y h PHE 168 N 0.73 0.48 -0.05 -1.35 3.57 -1.13 -1.06 116.94 118.12 3i1y h PHE 168 Ca 0.14 -0.02 0.04 0.00 3.53 0.00 0.00 57.97 61.66 3i1y h PHE 168 Cb 0.45 -0.15 -0.05 0.00 2.79 0.00 0.00 35.95 38.99 3i1y h PHE 168 CO 0.02 0.42 -0.26 1.25 -2.23 0.00 0.00 178.31 177.51 3i1y h LEU 169 N 0.40 -0.79 -1.08 0.59 5.85 -0.60 0.61 115.31 120.28 3i1y h LEU 169 Ca 0.11 0.11 -0.02 0.00 0.84 0.00 0.00 57.88 58.93 3i1y h LEU 169 Cb 0.12 0.33 -0.03 0.00 0.37 0.00 0.00 40.66 41.45 3i1y h LEU 169 CO -0.01 -0.32 0.36 -0.07 -0.34 0.00 0.00 178.44 178.05 3i1y h LEU 170 N -0.38 0.91 -0.69 2.25 4.07 -1.31 0.39 115.31 120.55 3i1y h LEU 170 Ca 0.08 -0.09 -0.05 0.00 0.08 0.00 0.00 57.88 57.89 3i1y h LEU 170 Cb 0.49 -0.23 -0.03 0.00 1.08 0.00 0.00 40.66 41.97 3i1y h LEU 170 CO -0.26 0.75 0.22 -0.78 -1.08 0.00 0.00 178.44 177.29 3i1y h ASP 171 N 1.01 1.00 -0.70 -0.43 3.58 -0.66 0.19 116.42 120.40 3i1y h ASP 171 Ca 0.25 -0.21 -0.05 0.00 0.42 0.00 0.00 57.03 57.44 3i1y h ASP 171 Cb 0.07 -0.26 -0.03 0.00 1.72 0.00 0.00 39.33 40.83 3i1y h ASP 171 CO -0.04 0.94 0.24 0.74 -2.88 0.00 0.00 179.24 178.24 3i1y h THR 172 N 1.00 1.25 0.00 2.25 2.02 -0.20 -2.98 112.91 116.25 3i1y h THR 172 Ca 0.22 -0.86 -0.00 0.00 0.77 0.00 0.00 66.41 66.54 3i1y h THR 172 Cb 0.30 0.49 -0.00 0.00 -1.74 0.00 0.00 68.15 67.19 3i1y h THR 172 CO -0.01 0.34 -0.00 -0.07 0.37 0.00 0.00 175.52 176.15 3i1y h LEU 173 N 1.03 0.00 -1.43 2.58 4.07 -0.41 -3.47 115.31 117.67 3i1y h LEU 173 Ca 0.23 0.00 -0.38 0.00 0.08 0.00 0.00 57.88 57.81 3i1y h LEU 173 Cb 0.28 0.00 0.12 0.00 1.08 0.00 0.00 40.66 42.14 3i1y h LEU 173 CO -0.01 0.00 -0.76 0.29 -1.08 0.00 0.00 178.44 176.88 3i1y n LYS 174 N -3.10 -6.50 -3.91 1.13 4.76 0.61 -5.01 118.16 106.15 3i1y n LYS 174 Ca 0.03 0.78 -0.10 0.00 -2.87 0.00 0.00 58.31 56.14 3i1y n LYS 174 Cb 0.44 -5.70 -0.10 0.00 -1.84 0.00 0.00 35.03 27.83 3i1y n LYS 174 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3i1y s ALA 175 N -3.41 -0.15 0.44 7.82 0.00 -1.09 -5.07 121.76 120.30 3i1y s ALA 175 Ca 0.20 -0.34 -0.22 0.00 0.00 0.00 0.00 51.96 51.60 3i1y s ALA 175 Cb -0.09 0.14 -0.10 0.00 0.00 0.00 0.00 23.12 23.08 3i1y s ALA 175 CO 0.76 -0.21 1.00 -1.12 0.00 0.00 0.00 175.76 176.19 3i1y s SER 176 N -1.51 6.73 0.19 0.00 0.01 -1.26 -4.77 113.70 113.09 3i1y s SER 176 Ca -0.14 1.85 -0.14 0.00 1.31 0.00 0.00 55.95 58.82 3i1y s SER 176 Cb -0.08 -2.56 0.19 0.00 0.21 0.00 0.00 66.02 63.78 3i1y s SER 176 CO 0.00 -0.51 1.65 -0.65 0.41 0.00 0.00 173.24 174.14 3i1y h PRO 177 N 1.99 0.02 0.00 12.44 0.11 -1.90 0.35 132.00 145.01 3i1y h PRO 177 Ca -0.49 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.62 3i1y h PRO 177 Cb 1.20 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.31 3i1y h PRO 177 CO 0.61 0.01 0.20 0.45 -0.21 0.00 0.00 178.00 179.06 3i1y n SER 178 N -5.36 0.37 -0.23 -2.05 2.88 -1.24 -1.67 113.62 106.32 3i1y n SER 178 Ca 0.06 0.60 0.11 0.00 -1.33 0.00 0.00 58.87 58.30 3i1y n SER 178 Cb 0.29 -0.58 0.05 0.00 -0.75 0.00 0.00 64.21 63.21 3i1y n SER 178 CO 0.00 0.00 0.00 1.21 -1.23 0.00 0.00 175.04 175.02 3i1y n GLU 179 N -2.04 0.59 -4.49 -1.46 2.13 0.12 -4.81 120.64 110.67 3i1y n GLU 179 Ca -0.01 -0.46 -0.23 0.00 0.66 0.00 0.00 57.16 57.13 3i1y n GLU 179 Cb 0.22 -1.49 -0.14 0.00 0.27 0.00 0.00 31.44 30.30 3i1y n GLU 179 CO 0.00 0.00 0.00 0.14 -0.41 0.00 0.00 177.13 176.86 3i1y s VAL 180 N -2.72 1.39 0.12 6.31 -7.23 -0.67 -2.07 120.40 115.52 3i1y s VAL 180 Ca 0.15 -1.10 -0.02 0.00 -1.81 0.00 0.00 61.98 59.20 3i1y s VAL 180 Cb 0.17 -1.23 -0.05 0.00 0.56 0.00 0.00 36.38 35.84 3i1y s VAL 180 CO 0.68 0.11 0.31 -0.69 -0.31 0.00 0.00 175.10 175.19 3i1y s VAL 181 N -0.82 5.27 -0.15 1.32 1.01 -0.27 -2.18 120.40 124.58 3i1y s VAL 181 Ca 0.05 -0.20 -0.04 0.00 0.00 0.00 0.00 61.98 61.78 3i1y s VAL 181 Cb -0.08 -3.64 0.06 0.00 0.00 0.00 0.00 36.38 32.72 3i1y s VAL 181 CO 0.02 0.05 0.12 0.12 0.00 0.00 0.00 175.10 175.41 3i1y s PHE 182 N -1.62 0.02 -0.14 5.22 2.19 0.25 -0.90 117.98 122.99 3i1y s PHE 182 Ca 0.38 0.00 -0.04 0.00 0.33 0.00 0.00 56.93 57.60 3i1y s PHE 182 Cb -0.12 -0.53 -0.03 0.00 -1.31 0.00 0.00 43.02 41.02 3i1y s PHE 182 CO 0.27 -0.46 -0.00 -0.51 1.83 0.00 0.00 175.22 176.34 3i1y s LEU 183 N 2.21 3.48 -0.04 6.12 1.43 -0.28 -1.19 118.68 130.41 3i1y s LEU 183 Ca 0.04 0.00 -0.16 0.00 -1.03 0.00 0.00 54.13 52.98 3i1y s LEU 183 Cb -0.15 -1.84 0.03 0.00 0.03 0.00 0.00 46.19 44.27 3i1y s LEU 183 CO -0.08 0.23 0.35 -0.62 0.23 0.00 0.00 176.35 176.46 3i1y s ASP 184 N -0.02 -0.26 0.17 2.29 -1.08 -0.95 -2.04 116.67 114.77 3i1y s ASP 184 Ca 0.03 0.24 0.24 0.00 -0.52 0.00 0.00 52.55 52.54 3i1y s ASP 184 Cb -0.13 0.40 0.36 0.00 -1.46 0.00 0.00 42.92 42.10 3i1y s ASP 184 CO 0.02 -0.42 1.38 -2.24 0.52 0.00 0.00 175.17 174.43 3i1y h ASP 185 N 4.03 0.00 -3.60 -0.34 2.03 -1.83 0.14 116.42 116.84 3i1y h ASP 185 Ca -0.29 -0.13 -0.65 0.00 -0.73 0.00 0.00 57.03 55.23 3i1y h ASP 185 Cb 1.17 0.00 -0.23 0.00 -0.83 0.00 0.00 39.33 39.44 3i1y h ASP 185 CO 0.38 0.06 -0.64 -0.63 -1.03 0.00 0.00 179.24 177.38 3i1y s ILE 186 N -3.19 4.16 0.21 4.15 1.01 -1.26 -4.64 121.20 121.64 3i1y s ILE 186 Ca 0.06 -0.22 -0.07 0.00 0.00 0.00 0.00 60.65 60.41 3i1y s ILE 186 Cb 0.12 -2.94 0.15 0.00 0.01 0.00 0.00 42.46 39.80 3i1y s ILE 186 CO 0.71 0.35 1.77 1.23 0.00 0.00 0.00 174.94 179.00 3i1y h GLY 187 N 8.20 1.26 0.23 6.18 0.00 -2.00 -2.41 103.07 114.53 3i1y h GLY 187 Ca -0.39 -0.71 0.14 0.00 0.00 0.00 0.00 47.33 46.37 3i1y h GLY 187 CO 0.58 0.67 0.42 0.00 0.00 0.00 0.00 176.54 178.21 3i1y h ALA 188 N 1.16 1.25 0.00 3.60 0.00 -2.00 0.32 119.26 123.59 3i1y h ALA 188 Ca 0.25 0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.25 3i1y h ALA 188 Cb 0.26 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.05 3i1y h ALA 188 CO -0.01 -0.10 0.00 0.09 0.00 0.00 0.00 179.25 179.23 3i1y n ASN 189 N -4.88 0.00 -0.10 0.00 3.02 -0.91 -3.29 115.26 109.09 3i1y n ASN 189 Ca 0.17 -1.42 -0.22 0.00 -0.03 0.00 0.00 54.58 53.08 3i1y n ASN 189 Cb 0.43 0.00 -0.12 0.00 -0.61 0.00 0.00 39.78 39.48 3i1y n ASN 189 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 3i1y n LEU 190 N -0.74 2.55 -0.34 3.41 4.77 0.11 -4.64 117.00 122.12 3i1y n LEU 190 Ca 0.11 0.10 -0.09 0.00 -0.03 0.00 0.00 56.01 56.10 3i1y n LEU 190 Cb 0.05 -0.93 -0.08 0.00 -2.33 0.00 0.00 43.42 40.13 3i1y n LEU 190 CO 0.08 0.77 0.43 0.29 -1.33 0.00 0.00 177.39 177.63 3i1y n LYS 191 N -3.66 -0.36 -0.32 3.23 4.01 -0.99 -1.63 118.16 118.43 3i1y n LYS 191 Ca -0.44 1.31 0.05 0.00 -0.51 0.00 0.00 58.31 58.72 3i1y n LYS 191 Cb 0.95 -1.93 0.20 0.00 -0.51 0.00 0.00 35.03 33.74 3i1y n LYS 191 CO 0.00 0.00 0.00 -1.35 -1.11 0.00 0.00 177.40 174.94 3i1y h PRO 192 N 0.00 0.85 -0.34 1.97 0.11 -1.82 0.80 132.00 133.56 3i1y h PRO 192 Ca 0.13 -0.05 -0.02 0.00 0.11 0.00 0.00 66.00 66.16 3i1y h PRO 192 Cb 0.33 -0.19 -0.01 0.00 0.11 0.00 0.00 31.00 31.24 3i1y h PRO 192 CO -0.76 0.56 0.12 0.00 -0.21 0.00 0.00 178.00 177.72 3i1y h ALA 193 N 1.50 0.45 0.32 -0.75 0.00 -1.57 -0.19 119.26 119.02 3i1y h ALA 193 Ca 0.45 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 55.20 3i1y h ALA 193 Cb 0.44 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.09 3i1y h ALA 193 CO -0.26 0.07 -0.19 -0.09 0.00 0.00 0.00 179.25 178.77 3i1y h ARG 194 N 0.41 -0.48 -0.50 0.00 2.43 0.13 -1.60 114.38 114.77 3i1y h ARG 194 Ca 0.11 0.03 0.14 0.00 -0.81 0.00 0.00 59.98 59.46 3i1y h ARG 194 Cb 0.22 0.11 -0.02 0.00 -0.42 0.00 0.00 29.97 29.85 3i1y h ARG 194 CO -0.01 -0.32 0.39 -0.44 -1.51 0.00 0.00 179.97 178.09 3i1y h ASP 195 N -0.49 0.00 1.13 -3.80 5.19 0.59 0.53 116.42 119.57 3i1y h ASP 195 Ca -0.03 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.38 3i1y h ASP 195 Cb 0.40 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.91 3i1y h ASP 195 CO 0.04 0.00 -0.03 -0.11 -3.12 0.00 0.00 179.24 176.02 3i1y n LEU 196 N -4.19 0.29 0.00 1.55 7.94 -0.09 -4.90 117.00 117.58 3i1y n LEU 196 Ca 0.09 0.50 0.00 0.00 -1.11 0.00 0.00 56.01 55.49 3i1y n LEU 196 Cb 0.61 -0.43 0.00 0.00 0.53 0.00 0.00 43.42 44.13 3i1y n LEU 196 CO 0.34 -0.05 0.00 0.61 -1.11 0.00 0.00 177.39 177.18 3i1y n GLY 197 N 1.44 0.77 3.90 -3.96 0.00 0.19 -4.67 105.19 102.85 3i1y n GLY 197 Ca 0.06 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.79 3i1y n GLY 197 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 3i1y s MET 198 N -0.72 3.66 0.29 1.61 0.23 -0.67 -3.67 119.30 120.04 3i1y s MET 198 Ca 0.00 0.03 -0.29 0.00 -1.03 0.00 0.00 55.69 54.40 3i1y s MET 198 Cb 0.00 -2.69 -0.10 0.00 -1.53 0.00 0.00 34.83 30.51 3i1y s MET 198 CO 0.00 0.28 1.40 0.08 -2.03 0.00 0.00 175.02 174.75 3i1y s VAL 199 N -1.95 2.60 0.19 5.16 1.01 -0.93 -3.96 120.40 122.53 3i1y s VAL 199 Ca 0.44 0.55 0.08 0.00 0.00 0.00 0.00 61.98 63.05 3i1y s VAL 199 Cb -0.11 -3.35 -0.04 0.00 0.00 0.00 0.00 36.38 32.87 3i1y s VAL 199 CO 0.27 0.11 -0.15 0.42 0.00 0.00 0.00 175.10 175.75 3i1y s THR 200 N -0.52 1.70 -0.23 3.92 -4.23 -1.26 -0.59 115.64 114.43 3i1y s THR 200 Ca 0.55 -2.11 -0.03 0.00 -1.18 0.00 0.00 61.69 58.91 3i1y s THR 200 Cb -0.42 -1.96 0.10 0.00 1.34 0.00 0.00 72.50 71.57 3i1y s THR 200 CO 0.49 -0.54 0.24 -0.63 -0.54 0.00 0.00 174.62 173.64 3i1y s ILE 201 N -2.76 -0.34 0.02 2.99 1.01 -0.33 -4.88 121.20 116.92 3i1y s ILE 201 Ca 0.20 -0.23 -0.30 0.00 0.00 0.00 0.00 60.65 60.32 3i1y s ILE 201 Cb -0.02 -0.77 -0.07 0.00 0.01 0.00 0.00 42.46 41.61 3i1y s ILE 201 CO 0.06 -0.29 1.65 -0.22 0.00 0.00 0.00 174.94 176.15 3i1y s LEU 202 N 2.33 4.35 -0.58 2.97 0.20 -1.26 -2.25 118.68 124.44 3i1y s LEU 202 Ca 0.08 2.39 -0.16 0.00 0.69 0.00 0.00 54.13 57.12 3i1y s LEU 202 Cb -0.15 -3.55 0.14 0.00 -0.43 0.00 0.00 46.19 42.19 3i1y s LEU 202 CO -0.18 -0.90 0.57 -0.69 -0.29 0.00 0.00 176.35 174.86 3i1y s VAL 203 N 3.21 5.19 0.00 1.68 1.01 0.48 -4.83 120.40 127.13 3i1y s VAL 203 Ca 0.74 -1.54 0.00 0.00 0.00 0.00 0.00 61.98 61.18 3i1y s VAL 203 Cb -0.37 -4.38 0.00 0.00 0.00 0.00 0.00 36.38 31.63 3i1y s VAL 203 CO 0.32 -0.93 0.00 0.00 0.00 0.00 0.00 175.10 174.48 3i1y n GLN 204 N 5.28 0.00 -2.96 2.72 6.02 -1.26 -4.43 117.38 122.75 3i1y n GLN 204 Ca -0.10 0.00 -0.37 0.00 -0.01 0.00 0.00 57.00 56.52 3i1y n GLN 204 Cb 0.41 0.00 -0.06 0.00 1.02 0.00 0.00 30.24 31.61 3i1y n GLN 204 CO 0.00 0.00 0.00 0.16 -1.01 0.00 0.00 177.06 176.21 3i1y s ASP 205 N -1.00 7.21 0.12 1.08 -4.77 -1.26 -4.99 116.67 113.05 3i1y s ASP 205 Ca 0.00 1.61 -0.19 0.00 -3.30 0.00 0.00 52.55 50.67 3i1y s ASP 205 Cb 0.00 -2.49 -0.06 0.00 -1.09 0.00 0.00 42.92 39.28 3i1y s ASP 205 CO 0.00 0.01 1.72 0.74 0.70 0.00 0.00 175.17 178.34 3i1y h THR 206 N 2.76 1.12 -0.65 2.11 2.02 -1.96 -2.82 112.91 115.49 3i1y h THR 206 Ca -0.47 -0.31 -0.04 0.00 0.77 0.00 0.00 66.41 66.36 3i1y h THR 206 Cb 1.19 0.88 -0.03 0.00 -1.74 0.00 0.00 68.15 68.45 3i1y h THR 206 CO 0.65 0.11 0.26 -2.24 0.37 0.00 0.00 175.52 174.68 3i1y h ASP 207 N 0.29 0.86 -0.45 4.18 2.03 -1.98 -0.57 116.42 120.77 3i1y h ASP 207 Ca 0.09 -0.12 -0.08 0.00 -0.73 0.00 0.00 57.03 56.19 3i1y h ASP 207 Cb 0.06 -0.22 -0.02 0.00 -0.83 0.00 0.00 39.33 38.33 3i1y h ASP 207 CO -0.01 0.77 -0.05 0.74 -1.03 0.00 0.00 179.24 179.66 3i1y h THR 208 N 0.93 1.27 -0.89 1.15 2.02 -1.97 -0.42 112.91 115.00 3i1y h THR 208 Ca 0.22 -1.13 -0.01 0.00 0.77 0.00 0.00 66.41 66.26 3i1y h THR 208 Cb 0.17 1.09 -0.04 0.00 -1.74 0.00 0.00 68.15 67.63 3i1y h THR 208 CO -0.02 0.39 0.51 0.00 0.37 0.00 0.00 175.52 176.77 3i1y h ALA 209 N 0.89 1.24 0.00 6.16 0.00 -1.17 -0.87 119.26 125.51 3i1y h ALA 209 Ca 0.12 -0.11 -0.10 0.00 0.00 0.00 0.00 54.91 54.82 3i1y h ALA 209 Cb 0.57 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 3i1y h ALA 209 CO 0.03 0.64 -0.48 -0.07 0.00 0.00 0.00 179.25 179.37 3i1y h LEU 210 N 1.23 0.00 0.20 0.00 3.38 -0.92 0.17 115.31 119.37 3i1y h LEU 210 Ca 0.32 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.28 3i1y h LEU 210 Cb -0.02 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.73 3i1y h LEU 210 CO -0.06 0.48 -0.10 0.11 0.09 0.00 0.00 178.44 178.97 3i1y h LYS 211 N 0.00 -0.26 -0.69 1.13 1.57 -0.10 0.39 116.57 118.62 3i1y h LYS 211 Ca -0.00 0.02 0.03 0.00 -1.87 0.00 0.00 60.65 58.82 3i1y h LYS 211 Cb 0.86 0.06 -0.04 0.00 0.08 0.00 0.00 32.23 33.18 3i1y h LYS 211 CO 0.06 -0.07 0.43 0.93 -0.57 0.00 0.00 179.45 180.23 3i1y h GLU 212 N -0.40 0.82 0.90 3.15 5.08 -0.98 0.42 114.58 123.57 3i1y h GLU 212 Ca -0.03 -0.05 -0.04 0.00 -1.00 0.00 0.00 59.36 58.24 3i1y h GLU 212 Cb 0.31 -0.18 0.01 0.00 0.50 0.00 0.00 28.75 29.38 3i1y h GLU 212 CO 0.04 0.54 -0.43 1.25 -1.00 0.00 0.00 179.01 179.41 3i1y h LEU 213 N 0.84 -1.02 -1.05 1.33 6.46 -0.43 0.13 115.31 121.57 3i1y h LEU 213 Ca 0.28 0.04 0.15 0.00 -0.12 0.00 0.00 57.88 58.22 3i1y h LEU 213 Cb 0.02 0.26 -0.09 0.00 -0.73 0.00 0.00 40.66 40.12 3i1y h LEU 213 CO -0.11 -0.73 0.62 -0.08 -0.62 0.00 0.00 178.44 177.52 3i1y h GLU 214 N -1.21 0.83 -0.21 1.25 4.81 -0.13 0.16 114.58 120.08 3i1y h GLU 214 Ca -0.12 -0.05 0.01 0.00 -0.13 0.00 0.00 59.36 59.07 3i1y h GLU 214 Cb 0.93 -0.19 -0.02 0.00 0.63 0.00 0.00 28.75 30.10 3i1y h GLU 214 CO 0.20 0.55 0.11 -0.22 -0.73 0.00 0.00 179.01 178.92 3i1y h LYS 215 N 0.85 0.22 0.00 1.92 3.64 0.48 -1.64 116.57 122.05 3i1y h LYS 215 Ca 0.53 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.89 3i1y h LYS 215 Cb 0.71 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 32.48 3i1y h LYS 215 CO -0.31 0.15 -0.70 -0.24 -2.27 0.00 0.00 179.45 176.08 3i1y h VAL 216 N 0.23 0.00 0.00 2.00 3.04 -0.16 -3.33 116.25 118.03 3i1y h VAL 216 Ca 0.08 -0.92 -0.03 0.00 -1.01 0.00 0.00 66.70 64.82 3i1y h VAL 216 Cb 0.01 1.56 -0.01 0.00 -2.01 0.00 0.00 31.29 30.85 3i1y h VAL 216 CO -0.05 0.00 -1.22 0.35 -1.01 0.00 0.00 177.57 175.64 3i1y n THR 217 N -2.70 0.65 -2.21 3.17 -2.24 -0.01 -4.97 114.28 105.97 3i1y n THR 217 Ca 0.01 -0.57 -0.12 0.00 -2.27 0.00 0.00 64.05 61.11 3i1y n THR 217 Cb 0.53 -0.36 -0.01 0.00 -2.10 0.00 0.00 70.33 68.39 3i1y n THR 217 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3i1y n GLY 218 N 1.23 -0.10 3.02 3.38 0.00 -0.62 -5.02 105.19 107.08 3i1y n GLY 218 Ca -0.03 -0.39 -0.24 0.00 0.00 0.00 0.00 46.02 45.37 3i1y n GLY 218 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3i1y s ILE 219 N -2.59 1.08 -0.20 -0.61 1.01 -1.20 -5.09 121.20 113.59 3i1y s ILE 219 Ca 0.00 -0.47 -0.29 0.00 0.00 0.00 0.00 60.65 59.90 3i1y s ILE 219 Cb 0.00 -0.98 -0.04 0.00 0.01 0.00 0.00 42.46 41.45 3i1y s ILE 219 CO 0.00 0.34 1.87 -1.58 0.00 0.00 0.00 174.94 175.56 3i1y s GLN 220 N 0.54 3.57 -0.01 2.79 0.74 -1.26 -4.42 119.66 121.60 3i1y s GLN 220 Ca -0.11 1.85 0.01 0.00 0.05 0.00 0.00 55.36 57.15 3i1y s GLN 220 Cb -0.14 -4.18 -0.01 0.00 1.10 0.00 0.00 33.01 29.78 3i1y s GLN 220 CO 0.03 -1.58 -0.00 1.28 -0.55 0.00 0.00 175.29 174.47 3i1y n LEU 221 N 9.56 0.97 -4.89 3.68 4.77 -1.26 -4.91 117.00 124.93 3i1y n LEU 221 Ca 0.23 -0.00 -0.33 0.00 -0.03 0.00 0.00 56.01 55.88 3i1y n LEU 221 Cb 0.45 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.49 3i1y n LEU 221 CO 0.66 0.19 0.02 -0.22 -1.33 0.00 0.00 177.39 176.71 3i1y s LEU 222 N -4.41 4.31 -1.78 2.23 2.96 -1.26 -4.17 118.68 116.56 3i1y s LEU 222 Ca -0.01 0.63 0.00 0.00 -0.22 0.00 0.00 54.13 54.53 3i1y s LEU 222 Cb 0.00 -3.10 0.00 0.00 0.50 0.00 0.00 46.19 43.59 3i1y s LEU 222 CO 0.04 0.12 0.00 0.59 -1.32 0.00 0.00 176.35 175.78 3i1y n ASN 223 N 0.49 -5.56 -4.83 3.68 3.02 -1.26 -4.94 115.26 105.86 3i1y n ASN 223 Ca -0.05 0.42 -0.33 0.00 -0.03 0.00 0.00 54.58 54.59 3i1y n ASN 223 Cb 0.52 -4.57 -0.04 0.00 -0.61 0.00 0.00 39.78 35.08 3i1y n ASN 223 CO 0.00 0.00 0.00 0.28 -2.62 0.00 0.00 177.26 174.92 3i1y s THR 224 N -2.42 4.36 0.85 3.41 -1.32 -1.26 -5.00 115.64 114.25 3i1y s THR 224 Ca 0.00 1.25 -0.14 0.00 -1.21 0.00 0.00 61.69 61.59 3i1y s THR 224 Cb 0.00 -3.63 0.02 0.00 -1.51 0.00 0.00 72.50 67.38 3i1y s THR 224 CO 0.00 -0.52 0.58 -2.65 -2.21 0.00 0.00 174.62 169.81 3i1y n PRO 225 N -1.29 -0.01 -1.83 7.08 -0.02 -1.26 -4.88 135.00 132.79 3i1y n PRO 225 Ca 0.07 0.05 -0.42 0.00 -2.02 0.00 0.00 63.50 61.18 3i1y n PRO 225 Cb 0.54 -1.94 -0.03 0.00 -0.02 0.00 0.00 33.50 32.05 3i1y n PRO 225 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3i1y s ALA 226 N -2.18 3.67 0.59 3.55 0.00 -1.26 -4.98 121.76 121.14 3i1y s ALA 226 Ca 0.63 1.25 -0.13 0.00 0.00 0.00 0.00 51.96 53.71 3i1y s ALA 226 Cb -0.27 -3.76 -0.05 0.00 0.00 0.00 0.00 23.12 19.04 3i1y s ALA 226 CO 0.61 -1.30 1.02 -2.14 0.00 0.00 0.00 175.76 173.95 3i1y s PRO 227 N 3.34 3.68 0.66 0.00 0.02 -1.26 -5.05 135.00 136.40 3i1y s PRO 227 Ca 0.79 0.84 -0.15 0.00 0.02 0.00 0.00 61.00 62.50 3i1y s PRO 227 Cb -0.41 -2.09 0.00 0.00 0.02 0.00 0.00 34.50 32.02 3i1y s PRO 227 CO 0.35 -0.50 1.13 -0.51 -0.33 0.00 0.00 177.00 177.14 3i1y s LEU 228 N -4.80 3.40 0.87 -5.54 1.43 -1.26 -5.00 118.68 107.78 3i1y s LEU 228 Ca 0.57 2.08 -0.12 0.00 -1.03 0.00 0.00 54.13 55.62 3i1y s LEU 228 Cb -0.11 -4.56 0.09 0.00 0.03 0.00 0.00 46.19 41.64 3i1y s LEU 228 CO 0.46 -1.72 0.97 -2.65 0.23 0.00 0.00 176.35 173.64 3i1y n PRO 229 N -2.39 -0.15 -1.69 1.29 -0.02 -1.26 -4.91 135.00 125.87 3i1y n PRO 229 Ca 0.11 0.02 -0.43 0.00 -2.02 0.00 0.00 63.50 61.18 3i1y n PRO 229 Cb 0.52 -2.25 -0.01 0.00 -0.02 0.00 0.00 33.50 31.73 3i1y n PRO 229 CO 0.00 0.00 0.00 2.41 1.98 0.00 0.00 175.50 179.89 3i1y n THR 230 N -3.65 1.67 -3.05 3.45 -1.04 -1.26 -4.93 114.28 105.47 3i1y n THR 230 Ca 0.11 -0.42 0.00 0.00 -2.04 0.00 0.00 64.05 61.71 3i1y n THR 230 Cb 0.52 -1.57 0.00 0.00 -1.82 0.00 0.00 70.33 67.46 3i1y n THR 230 CO 0.00 0.00 0.00 -0.24 -0.64 0.00 0.00 175.07 174.19 3i1y n SER 231 N 1.21 0.21 -4.12 8.00 2.88 -1.26 -4.40 113.62 116.14 3i1y n SER 231 Ca 0.07 -0.95 -0.32 0.00 -1.33 0.00 0.00 58.87 56.34 3i1y n SER 231 Cb 0.35 0.00 -0.16 0.00 -0.75 0.00 0.00 64.21 63.65 3i1y n SER 231 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3i1y s ASN 233 N 1.08 6.45 0.32 0.00 3.04 -1.26 -4.95 114.94 119.63 3i1y s ASN 233 Ca -0.01 -0.01 0.09 0.00 0.04 0.00 0.00 52.86 52.97 3i1y s ASN 233 Cb -0.14 -2.44 0.96 0.00 -1.54 0.00 0.00 41.25 38.09 3i1y s ASN 233 CO -0.07 -1.07 1.62 -0.65 -3.04 0.00 0.00 177.10 173.89 3i1y h PRO 234 N 9.12 0.14 -0.02 0.43 0.11 -1.98 0.17 132.00 139.97 3i1y h PRO 234 Ca -0.25 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.86 3i1y h PRO 234 Cb 1.08 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.16 3i1y h PRO 234 CO 1.03 0.09 0.00 -1.13 -0.21 0.00 0.00 178.00 177.78 3i1y n SER 235 N -5.25 0.36 -1.03 -2.05 3.41 -1.26 -2.41 113.62 105.38 3i1y n SER 235 Ca 0.28 -1.25 0.09 0.00 -0.26 0.00 0.00 58.87 57.74 3i1y n SER 235 Cb 0.92 -0.01 0.24 0.00 -0.26 0.00 0.00 64.21 65.09 3i1y n SER 235 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 3i1y n ASP 236 N -0.66 3.44 -4.82 4.04 8.00 0.61 -5.01 116.55 122.14 3i1y n ASP 236 Ca 0.20 -1.98 -0.30 0.00 0.71 0.00 0.00 54.79 53.42 3i1y n ASP 236 Cb 0.15 -0.34 -0.06 0.00 -0.02 0.00 0.00 41.12 40.85 3i1y n ASP 236 CO 0.00 0.00 0.00 -0.04 -0.39 0.00 0.00 177.20 176.77 3i1y s MET 237 N -1.06 3.06 -0.20 -1.24 -1.94 -1.01 -5.00 119.30 111.90 3i1y s MET 237 Ca 0.37 -0.63 -0.29 0.00 -1.71 0.00 0.00 55.69 53.43 3i1y s MET 237 Cb 0.20 -2.82 -0.00 0.00 2.01 0.00 0.00 34.83 34.22 3i1y s MET 237 CO 0.26 0.57 1.15 0.45 -0.01 0.00 0.00 175.02 177.44 3i1y s SER 238 N -2.49 7.02 -0.21 3.03 0.15 -1.26 -5.01 113.70 114.93 3i1y s SER 238 Ca 0.31 1.54 -0.06 0.00 0.70 0.00 0.00 55.95 58.44 3i1y s SER 238 Cb -0.12 -2.54 -0.03 0.00 -1.71 0.00 0.00 66.02 61.62 3i1y s SER 238 CO 0.24 -0.71 0.03 -1.00 1.20 0.00 0.00 173.24 173.00 3i1y s HIS 239 N 3.34 3.09 0.05 3.44 3.76 -1.26 -1.76 115.29 125.95 3i1y s HIS 239 Ca 0.49 -0.33 0.03 0.00 -0.15 0.00 0.00 55.06 55.11 3i1y s HIS 239 Cb -0.18 -2.12 -0.04 0.00 1.11 0.00 0.00 32.58 31.35 3i1y s HIS 239 CO 0.10 -0.19 -0.01 0.20 -0.85 0.00 0.00 174.74 174.00 3i1y s GLY 240 N 1.03 1.89 -0.05 -2.22 0.00 0.85 -4.98 107.32 103.84 3i1y s GLY 240 Ca 0.03 -1.04 -0.01 0.00 0.00 0.00 0.00 44.72 43.69 3i1y s GLY 240 CO 0.02 -0.97 0.02 -0.19 0.00 0.00 0.00 173.10 171.98 3i1y s TYR 241 N -1.19 0.42 -0.09 1.90 1.51 -1.26 -1.61 117.35 117.03 3i1y s TYR 241 Ca 0.23 -0.01 0.01 0.00 -1.01 0.00 0.00 57.07 56.29 3i1y s TYR 241 Cb -0.12 -0.63 0.02 0.00 -0.11 0.00 0.00 41.96 41.12 3i1y s TYR 241 CO 0.14 -0.25 -0.11 0.08 -1.11 0.00 0.00 175.55 174.30 3i1y s VAL 242 N 1.85 1.18 -0.19 0.71 1.01 -0.51 -4.98 120.40 119.47 3i1y s VAL 242 Ca 0.02 -0.46 -0.26 0.00 0.00 0.00 0.00 61.98 61.28 3i1y s VAL 242 Cb -0.12 -1.11 -0.01 0.00 0.00 0.00 0.00 36.38 35.14 3i1y s VAL 242 CO -0.04 0.38 0.90 -0.89 0.00 0.00 0.00 175.10 175.45 3i1y s THR 243 N 1.05 4.82 -1.50 3.92 2.01 -1.26 0.03 115.64 124.70 3i1y s THR 243 Ca -0.07 1.76 0.15 0.00 0.31 0.00 0.00 61.69 63.84 3i1y s THR 243 Cb -0.15 -4.19 0.02 0.00 0.01 0.00 0.00 72.50 68.19 3i1y s THR 243 CO -0.01 -0.04 0.86 1.33 -0.69 0.00 0.00 174.62 176.07 3i1y n VAL 244 N 4.94 0.00 -3.57 3.82 0.24 -0.13 -4.98 118.33 118.65 3i1y n VAL 244 Ca 0.07 -0.37 -0.09 0.00 -2.04 0.00 0.00 64.34 61.90 3i1y n VAL 244 Cb 0.48 1.21 -0.04 0.00 -1.47 0.00 0.00 33.84 34.01 3i1y n VAL 244 CO 0.00 0.00 0.00 -0.75 -2.14 0.00 0.00 176.83 173.94 3i1y s LYS 245 N -1.72 0.58 0.03 7.34 2.20 -1.17 -4.98 119.74 122.03 3i1y s LYS 245 Ca 0.14 0.05 -0.02 0.00 -0.36 0.00 0.00 55.97 55.77 3i1y s LYS 245 Cb 0.12 0.27 0.04 0.00 -1.51 0.00 0.00 37.83 36.75 3i1y s LYS 245 CO 0.35 -0.20 0.22 -2.30 -0.36 0.00 0.00 175.35 173.05 3i1y n PRO 246 N 0.50 -0.03 -1.74 4.03 -0.02 -1.26 -1.22 135.00 135.26 3i1y n PRO 246 Ca -0.09 0.21 0.02 0.00 -2.02 0.00 0.00 63.50 61.63 3i1y n PRO 246 Cb 0.59 -0.32 0.05 0.00 -0.02 0.00 0.00 33.50 33.80 3i1y n PRO 246 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 3i1y n ARG 247 N -4.21 0.80 -4.07 -0.52 1.74 -1.26 -5.02 116.66 104.13 3i1y n ARG 247 Ca 0.02 -2.64 -0.33 0.00 -0.77 0.00 0.00 57.85 54.13 3i1y n ARG 247 Cb 0.06 -0.71 -0.15 0.00 -1.02 0.00 0.00 32.46 30.64 3i1y n ARG 247 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 3i1y s VAL 248 N -1.56 2.25 -0.08 1.55 1.01 -0.36 -4.90 120.40 118.31 3i1y s VAL 248 Ca 0.34 -1.27 0.03 0.00 0.00 0.00 0.00 61.98 61.07 3i1y s VAL 248 Cb 0.37 -2.16 -0.02 0.00 0.00 0.00 0.00 36.38 34.58 3i1y s VAL 248 CO -0.12 0.22 -0.17 -0.60 0.00 0.00 0.00 175.10 174.43 3i1y s ARG 249 N 1.21 2.86 -0.12 2.72 3.52 -1.26 -0.96 118.95 126.92 3i1y s ARG 249 Ca -0.02 -0.76 -0.04 0.00 -0.13 0.00 0.00 55.73 54.78 3i1y s ARG 249 Cb -0.17 -2.40 -0.03 0.00 -1.56 0.00 0.00 34.95 30.78 3i1y s ARG 249 CO -0.08 0.38 0.02 -0.51 -0.81 0.00 0.00 175.30 174.30 3i1y s LEU 250 N -0.12 3.64 0.03 -0.88 1.43 0.10 -0.32 118.68 122.56 3i1y s LEU 250 Ca -0.03 0.11 0.02 0.00 -1.03 0.00 0.00 54.13 53.21 3i1y s LEU 250 Cb -0.14 -1.86 -0.04 0.00 0.03 0.00 0.00 46.19 44.18 3i1y s LEU 250 CO 0.04 0.30 0.02 -2.28 0.23 0.00 0.00 176.35 174.66 3i1y s HIS 251 N -0.41 3.09 0.12 0.29 5.65 -1.26 -1.42 115.29 121.35 3i1y s HIS 251 Ca 0.08 0.07 -0.15 0.00 0.25 0.00 0.00 55.06 55.31 3i1y s HIS 251 Cb -0.12 -1.64 0.03 0.00 -1.18 0.00 0.00 32.58 29.67 3i1y s HIS 251 CO 0.02 0.48 0.38 -0.59 -0.65 0.00 0.00 174.74 174.38 3i1y s PHE 252 N -1.19 -0.16 -0.02 3.88 -0.71 -0.63 -0.57 117.98 118.59 3i1y s PHE 252 Ca 0.22 -0.18 0.02 0.00 -1.04 0.00 0.00 56.93 55.96 3i1y s PHE 252 Cb -0.12 0.22 -0.03 0.00 -1.21 0.00 0.00 43.02 41.88 3i1y s PHE 252 CO 0.14 -0.69 -0.03 0.08 -1.34 0.00 0.00 175.22 173.38 3i1y s VAL 253 N -3.81 3.93 -0.04 -2.49 1.01 0.04 -0.11 120.40 118.94 3i1y s VAL 253 Ca 0.03 -0.61 0.02 0.00 0.00 0.00 0.00 61.98 61.43 3i1y s VAL 253 Cb 0.02 -2.71 0.01 0.00 0.00 0.00 0.00 36.38 33.70 3i1y s VAL 253 CO -0.12 0.43 -0.10 -0.70 0.00 0.00 0.00 175.10 174.62 3i1y s GLU 254 N -1.34 1.16 -0.18 2.72 2.12 -0.72 -0.55 118.70 121.90 3i1y s GLU 254 Ca 0.17 -0.33 -0.12 0.00 0.36 0.00 0.00 54.97 55.05 3i1y s GLU 254 Cb -0.11 -1.05 0.06 0.00 0.26 0.00 0.00 34.13 33.29 3i1y s GLU 254 CO 0.07 0.09 0.45 -1.17 -0.54 0.00 0.00 175.26 174.17 3i1y s LEU 255 N 0.33 -0.10 0.00 2.70 2.96 -0.64 -4.19 118.68 119.75 3i1y s LEU 255 Ca -0.06 0.97 0.00 0.00 -0.22 0.00 0.00 54.13 54.82 3i1y s LEU 255 Cb -0.11 1.51 0.00 0.00 0.50 0.00 0.00 46.19 48.10 3i1y s LEU 255 CO 0.01 -0.19 0.00 0.61 -1.32 0.00 0.00 176.35 175.46 3i1y n GLY 256 N 3.91 -0.13 3.28 7.98 0.00 -1.26 -0.39 105.19 118.58 3i1y n GLY 256 Ca -0.20 -1.86 -0.15 0.00 0.00 0.00 0.00 46.02 43.80 3i1y n GLY 256 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3i1y s SER 257 N -1.20 1.89 0.00 1.61 1.04 -1.15 -4.39 113.70 111.49 3i1y s SER 257 Ca 0.00 -1.06 0.00 0.00 0.48 0.00 0.00 55.95 55.37 3i1y s SER 257 Cb 0.00 -0.02 0.00 0.00 0.10 0.00 0.00 66.02 66.10 3i1y s SER 257 CO 0.00 -0.35 0.00 0.61 0.98 0.00 0.00 173.24 174.48 3i1y n GLY 258 N -0.26 0.29 3.68 7.32 0.00 -1.26 -2.08 105.19 112.87 3i1y n GLY 258 Ca -0.09 -2.28 -0.42 0.00 0.00 0.00 0.00 46.02 43.24 3i1y n GLY 258 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3i1y n PRO 259 N 0.00 1.88 -2.65 1.61 -0.02 -1.26 -3.90 135.00 130.66 3i1y n PRO 259 Ca 0.00 0.67 -0.42 0.00 -2.02 0.00 0.00 63.50 61.72 3i1y n PRO 259 Cb 0.00 -2.28 -0.03 0.00 -0.02 0.00 0.00 33.50 31.17 3i1y n PRO 259 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3i1y s ALA 260 N -1.17 3.29 -0.24 3.55 0.00 -1.26 -1.27 121.76 124.66 3i1y s ALA 260 Ca 0.59 0.52 0.01 0.00 0.00 0.00 0.00 51.96 53.09 3i1y s ALA 260 Cb -0.55 -3.40 0.05 0.00 0.00 0.00 0.00 23.12 19.22 3i1y s ALA 260 CO 0.59 -0.42 -0.11 0.08 0.00 0.00 0.00 175.76 175.90 3i1y s VAL 261 N 1.45 2.32 -0.32 0.00 1.01 0.31 -1.25 120.40 123.91 3i1y s VAL 261 Ca 0.52 -1.38 -0.16 0.00 0.00 0.00 0.00 61.98 60.97 3i1y s VAL 261 Cb -0.21 -2.25 -0.02 0.00 0.00 0.00 0.00 36.38 33.90 3i1y s VAL 261 CO 0.24 0.12 0.39 0.00 0.00 0.00 0.00 175.10 175.85 3i1y s LEU 263 N 2.09 4.08 -0.32 0.00 1.43 -0.31 -0.84 118.68 124.81 3i1y s LEU 263 Ca 0.14 0.09 0.01 0.00 -1.03 0.00 0.00 54.13 53.33 3i1y s LEU 263 Cb -0.16 -2.14 0.08 0.00 0.03 0.00 0.00 46.19 44.00 3i1y s LEU 263 CO 0.11 0.01 0.03 0.00 0.23 0.00 0.00 176.35 176.73 3i1y s HIS 265 N 1.09 1.26 0.00 0.00 -3.43 -1.26 -1.21 115.29 111.73 3i1y s HIS 265 Ca 0.01 0.70 0.00 0.00 -0.80 0.00 0.00 55.06 54.97 3i1y s HIS 265 Cb -0.20 -3.39 0.00 0.00 -1.43 0.00 0.00 32.58 27.56 3i1y s HIS 265 CO -0.05 -3.41 0.00 0.41 -2.00 0.00 0.00 174.74 169.69 3i1y n GLY 266 N -1.11 4.43 3.66 -1.38 0.00 -1.09 -2.63 105.19 107.07 3i1y n GLY 266 Ca 0.09 -1.96 -0.35 0.00 0.00 0.00 0.00 46.02 43.81 3i1y n GLY 266 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3i1y s PHE 267 N 1.90 3.27 -0.45 1.61 2.19 -1.26 -1.85 117.98 123.38 3i1y s PHE 267 Ca 0.00 0.12 -0.06 0.00 0.33 0.00 0.00 56.93 57.32 3i1y s PHE 267 Cb 0.00 -2.02 0.12 0.00 -1.31 0.00 0.00 43.02 39.81 3i1y s PHE 267 CO 0.00 0.25 0.29 -1.25 1.83 0.00 0.00 175.22 176.34 3i1y s PRO 268 N 0.05 2.28 0.00 10.12 0.05 -1.26 -4.96 135.00 141.28 3i1y s PRO 268 Ca 0.05 -1.83 0.00 0.00 0.05 0.00 0.00 61.00 59.27 3i1y s PRO 268 Cb -0.12 -3.77 0.00 0.00 0.05 0.00 0.00 34.50 30.65 3i1y s PRO 268 CO 0.01 -1.14 0.00 0.39 0.05 0.00 0.00 177.00 176.31 3i1y n GLU 269 N 4.70 1.70 -3.79 4.56 1.02 -0.77 -5.12 120.64 122.93 3i1y n GLU 269 Ca -0.04 0.00 0.03 0.00 -0.02 0.00 0.00 57.16 57.12 3i1y n GLU 269 Cb 0.41 0.00 0.01 0.00 -0.02 0.00 0.00 31.44 31.84 3i1y n GLU 269 CO 0.00 0.00 0.00 -1.13 1.18 0.00 0.00 177.13 177.18 3i1y n SER 270 N 0.00 -1.07 -0.08 1.62 3.41 -1.26 -4.82 113.62 111.41 3i1y n SER 270 Ca 0.00 -1.22 0.14 0.00 -0.26 0.00 0.00 58.87 57.54 3i1y n SER 270 Cb 0.00 1.66 0.54 0.00 -0.26 0.00 0.00 64.21 66.15 3i1y n SER 270 CO 0.00 0.00 0.00 4.11 -0.16 0.00 0.00 175.04 178.99 3i1y h TRP 271 N 1.90 0.36 0.00 7.33 5.08 -1.81 -1.07 115.95 127.73 3i1y h TRP 271 Ca -0.19 0.01 0.00 0.00 1.08 0.00 0.00 58.89 59.79 3i1y h TRP 271 Cb 1.06 -0.12 0.00 0.00 -3.00 0.00 0.00 29.16 27.10 3i1y h TRP 271 CO 0.00 0.16 0.00 -0.92 -1.28 0.00 0.00 178.44 176.40 3i1y h TYR 272 N 0.33 0.00 0.00 0.12 3.20 -1.94 -1.41 116.97 117.27 3i1y h TYR 272 Ca 0.29 0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.16 3i1y h TYR 272 Cb 0.71 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.98 3i1y h TYR 272 CO -0.00 0.00 0.00 0.43 -1.64 0.00 0.00 178.16 176.95 3i1y n SER 273 N -2.81 0.00 -0.98 -2.11 7.64 -0.41 -1.78 113.62 113.17 3i1y n SER 273 Ca -0.02 0.30 0.08 0.00 1.01 0.00 0.00 58.87 60.24 3i1y n SER 273 Cb 0.11 -0.39 0.24 0.00 -1.01 0.00 0.00 64.21 63.15 3i1y n SER 273 CO 0.00 0.00 0.00 0.79 -3.01 0.00 0.00 175.04 172.82 3i1y n TRP 274 N -1.39 0.85 -0.20 1.43 7.02 -0.53 -4.62 117.44 120.01 3i1y n TRP 274 Ca 0.05 -0.61 0.24 0.00 -1.02 0.00 0.00 57.50 56.17 3i1y n TRP 274 Cb 0.13 -0.14 0.64 0.00 -2.42 0.00 0.00 31.31 29.52 3i1y n TRP 274 CO 0.00 0.00 0.00 0.07 -2.02 0.00 0.00 177.69 175.74 3i1y h ARG 275 N 2.68 0.16 0.00 -0.99 0.11 -1.51 0.72 114.38 115.55 3i1y h ARG 275 Ca 0.00 -0.01 0.00 0.00 0.10 0.00 0.00 59.98 60.07 3i1y h ARG 275 Cb 1.08 -0.03 0.00 0.00 1.11 0.00 0.00 29.97 32.12 3i1y h ARG 275 CO 0.10 0.10 -0.45 1.88 0.10 0.00 0.00 179.97 181.71 3i1y h TYR 276 N 0.16 0.00 0.00 4.08 0.05 -1.85 -3.28 116.97 116.13 3i1y h TYR 276 Ca 0.44 0.00 -0.12 0.00 0.05 0.00 0.00 58.73 59.10 3i1y h TYR 276 Cb 1.47 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 39.18 3i1y h TYR 276 CO -0.00 0.00 -1.96 0.00 -1.05 0.00 0.00 178.16 175.15 3i1y n GLN 277 N -2.41 0.83 0.03 4.88 0.00 0.12 -4.31 117.38 116.52 3i1y n GLN 277 Ca 0.03 -0.10 -0.11 0.00 0.00 0.00 0.00 57.00 56.82 3i1y n GLN 277 Cb 0.47 -1.43 -0.04 0.00 0.00 0.00 0.00 30.24 29.24 3i1y n GLN 277 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.06 177.88 3i1y h ILE 278 N 0.00 0.40 -0.44 -0.39 2.04 -1.36 0.16 117.51 117.92 3i1y h ILE 278 Ca -0.18 0.00 -0.05 0.00 1.00 0.00 0.00 64.86 65.63 3i1y h ILE 278 Cb 1.30 0.40 -0.02 0.00 -0.74 0.00 0.00 36.82 37.77 3i1y h ILE 278 CO 0.01 0.00 0.09 -0.65 0.00 0.00 0.00 178.15 177.60 3i1y h PRO 279 N -0.37 0.71 -0.17 2.37 0.11 -1.82 -2.21 132.00 130.63 3i1y h PRO 279 Ca 0.08 -0.18 0.03 0.00 0.11 0.00 0.00 66.00 66.04 3i1y h PRO 279 Cb 0.48 -0.09 -0.03 0.00 0.11 0.00 0.00 31.00 31.47 3i1y h PRO 279 CO -0.27 0.72 -0.03 0.00 -0.21 0.00 0.00 178.00 178.21 3i1y h ALA 280 N 0.96 0.12 -0.26 -0.75 0.00 -1.66 0.43 119.26 118.10 3i1y h ALA 280 Ca 0.14 0.06 -0.11 0.00 0.00 0.00 0.00 54.91 55.00 3i1y h ALA 280 Cb 0.34 0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 3i1y h ALA 280 CO 0.00 -0.47 -0.31 -0.07 0.00 0.00 0.00 179.25 178.41 3i1y h LEU 281 N 0.01 0.55 -0.35 0.00 3.38 -0.70 -1.29 115.31 116.91 3i1y h LEU 281 Ca 0.08 -0.21 -0.03 0.00 0.09 0.00 0.00 57.88 57.81 3i1y h LEU 281 Cb 0.12 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.70 3i1y h LEU 281 CO -0.16 0.83 0.10 0.00 0.09 0.00 0.00 178.44 179.30 3i1y h ALA 282 N 1.21 0.46 -0.38 1.53 0.00 -1.16 -2.52 119.26 118.39 3i1y h ALA 282 Ca 0.06 -0.17 0.03 0.00 0.00 0.00 0.00 54.91 54.83 3i1y h ALA 282 Cb 0.76 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.40 3i1y h ALA 282 CO 0.06 0.12 0.26 0.37 0.00 0.00 0.00 179.25 180.05 3i1y h GLN 283 N 0.42 0.38 -0.01 0.00 5.75 -0.48 -0.96 115.11 120.22 3i1y h GLN 283 Ca 0.11 -0.02 0.00 0.00 -0.15 0.00 0.00 58.65 58.59 3i1y h GLN 283 Cb 0.27 -0.09 0.00 0.00 1.07 0.00 0.00 27.48 28.73 3i1y h GLN 283 CO -0.00 0.25 0.00 0.00 -2.65 0.00 0.00 178.83 176.43 3i1y n ALA 284 N -2.50 2.52 -1.08 3.38 0.00 -0.52 -4.84 120.51 117.46 3i1y n ALA 284 Ca 0.04 -0.04 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3i1y n ALA 284 Cb 0.16 -1.06 0.00 0.00 0.00 0.00 0.00 19.45 18.55 3i1y n ALA 284 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i1y n GLY 285 N 0.57 1.04 3.22 0.00 0.00 -0.37 -5.05 105.19 104.59 3i1y n GLY 285 Ca 0.03 -0.32 -0.16 0.00 0.00 0.00 0.00 46.02 45.57 3i1y n GLY 285 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3i1y s TYR 286 N -2.37 1.24 -0.53 1.61 1.51 -0.89 -4.22 117.35 113.71 3i1y s TYR 286 Ca 0.00 -0.63 -0.15 0.00 -1.01 0.00 0.00 57.07 55.28 3i1y s TYR 286 Cb 0.00 -0.66 0.13 0.00 -0.11 0.00 0.00 41.96 41.32 3i1y s TYR 286 CO 0.00 0.08 0.48 0.50 -1.11 0.00 0.00 175.55 175.50 3i1y s ARG 287 N -2.89 2.91 -0.15 -0.62 3.52 -0.39 -2.93 118.95 118.39 3i1y s ARG 287 Ca 0.09 -1.72 -0.24 0.00 -0.13 0.00 0.00 55.73 53.73 3i1y s ARG 287 Cb -0.03 -4.24 -0.02 0.00 -1.56 0.00 0.00 34.95 29.10 3i1y s ARG 287 CO 0.01 -1.31 0.76 0.08 -0.81 0.00 0.00 175.30 174.04 3i1y s VAL 288 N 1.57 4.94 -0.40 7.11 1.01 0.48 -0.53 120.40 134.58 3i1y s VAL 288 Ca 0.03 1.50 -0.03 0.00 0.00 0.00 0.00 61.98 63.49 3i1y s VAL 288 Cb -0.29 -4.08 0.11 0.00 0.00 0.00 0.00 36.38 32.11 3i1y s VAL 288 CO 0.02 0.09 0.19 -0.76 0.00 0.00 0.00 175.10 174.64 3i1y s LEU 289 N 1.82 5.15 -0.36 3.92 1.43 0.84 -1.62 118.68 129.87 3i1y s LEU 289 Ca 0.36 -1.98 -0.19 0.00 -1.03 0.00 0.00 54.13 51.29 3i1y s LEU 289 Cb -0.17 -1.82 0.00 0.00 0.03 0.00 0.00 46.19 44.24 3i1y s LEU 289 CO 0.13 -0.52 0.57 0.00 0.23 0.00 0.00 176.35 176.76 3i1y s ALA 290 N 1.14 3.46 0.36 4.21 0.00 0.28 -1.16 121.76 130.06 3i1y s ALA 290 Ca 0.07 -0.96 -0.21 0.00 0.00 0.00 0.00 51.96 50.87 3i1y s ALA 290 Cb -0.22 -3.10 -0.10 0.00 0.00 0.00 0.00 23.12 19.70 3i1y s ALA 290 CO -0.04 -1.30 0.88 -1.64 0.00 0.00 0.00 175.76 173.65 3i1y s MET 291 N 2.54 4.25 -0.47 0.00 1.00 -0.87 -0.78 119.30 124.97 3i1y s MET 291 Ca 0.21 1.04 -0.21 0.00 0.00 0.00 0.00 55.69 56.73 3i1y s MET 291 Cb -0.15 -2.43 0.04 0.00 0.00 0.00 0.00 34.83 32.28 3i1y s MET 291 CO 0.14 0.12 0.69 -0.51 0.00 0.00 0.00 175.02 175.46 3i1y s ASP 292 N -2.03 6.31 0.76 3.03 1.01 0.26 -2.56 116.67 123.44 3i1y s ASP 292 Ca 0.56 -0.47 -0.14 0.00 0.71 0.00 0.00 52.55 53.21 3i1y s ASP 292 Cb -0.12 -2.33 0.05 0.00 1.01 0.00 0.00 42.92 41.53 3i1y s ASP 292 CO 0.17 -0.88 1.18 -0.04 0.21 0.00 0.00 175.17 175.81 3i1y s MET 293 N 2.96 2.02 0.02 8.23 -1.94 -1.26 -4.29 119.30 125.03 3i1y s MET 293 Ca 0.22 1.65 -0.37 0.00 -1.71 0.00 0.00 55.69 55.48 3i1y s MET 293 Cb -0.15 -1.83 -0.16 0.00 2.01 0.00 0.00 34.83 34.70 3i1y s MET 293 CO 0.17 -1.91 1.45 1.17 -0.01 0.00 0.00 175.02 175.90 3i1y n LYS 294 N -3.00 1.26 0.00 2.03 4.81 -1.26 -1.45 118.16 120.55 3i1y n LYS 294 Ca 0.13 0.45 0.00 0.00 -0.87 0.00 0.00 58.31 58.02 3i1y n LYS 294 Cb 0.51 -2.12 0.00 0.00 0.02 0.00 0.00 35.03 33.44 3i1y n LYS 294 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3i1y n GLY 295 N 2.95 0.22 3.39 3.14 0.00 -0.91 -4.71 105.19 109.27 3i1y n GLY 295 Ca 0.20 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.93 3i1y n GLY 295 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3i1y s TYR 296 N -2.00 2.27 0.00 1.61 1.51 -0.53 -4.28 117.35 115.94 3i1y s TYR 296 Ca 0.00 -0.38 0.00 0.00 -1.01 0.00 0.00 57.07 55.68 3i1y s TYR 296 Cb 0.00 -1.22 0.00 0.00 -0.11 0.00 0.00 41.96 40.63 3i1y s TYR 296 CO 0.00 0.35 0.00 0.41 -1.11 0.00 0.00 175.55 175.20 3i1y n GLY 297 N 0.86 3.07 0.53 0.71 0.00 -1.26 -1.36 105.19 107.74 3i1y n GLY 297 Ca -0.18 0.08 0.10 0.00 0.00 0.00 0.00 46.02 46.03 3i1y n GLY 297 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3i1y n GLU 298 N 14.00 1.69 -2.69 1.61 1.02 -1.26 -4.83 120.64 130.18 3i1y n GLU 298 Ca 0.00 -1.05 -0.31 0.00 -0.02 0.00 0.00 57.16 55.78 3i1y n GLU 298 Cb 0.00 -1.37 -0.04 0.00 -0.02 0.00 0.00 31.44 30.01 3i1y n GLU 298 CO 0.00 0.00 0.00 -1.12 1.18 0.00 0.00 177.13 177.19 3i1y s SER 299 N -1.50 6.62 0.59 1.62 0.01 -0.46 -4.44 113.70 116.15 3i1y s SER 299 Ca 0.31 1.38 -0.19 0.00 1.31 0.00 0.00 55.95 58.76 3i1y s SER 299 Cb 0.16 -2.42 -0.04 0.00 0.21 0.00 0.00 66.02 63.93 3i1y s SER 299 CO 0.25 -0.45 1.19 -0.44 0.41 0.00 0.00 173.24 174.19 3i1y s SER 300 N -2.95 5.27 -0.47 2.44 0.01 0.57 -4.41 113.70 114.16 3i1y s SER 300 Ca 0.56 2.34 0.06 0.00 1.31 0.00 0.00 55.95 60.22 3i1y s SER 300 Cb -0.10 -2.59 0.21 0.00 0.21 0.00 0.00 66.02 63.75 3i1y s SER 300 CO 0.28 -1.54 0.48 0.00 0.41 0.00 0.00 173.24 172.88 3i1y n ALA 301 N -1.57 2.92 -1.78 1.44 0.00 -1.26 -2.13 120.51 118.12 3i1y n ALA 301 Ca 0.13 -3.60 -0.41 0.00 0.00 0.00 0.00 53.44 49.56 3i1y n ALA 301 Cb 0.50 -0.83 -0.01 0.00 0.00 0.00 0.00 19.45 19.11 3i1y n ALA 301 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 3i1y s PRO 302 N -0.93 4.15 0.46 0.00 0.04 -1.26 -4.87 135.00 132.60 3i1y s PRO 302 Ca 0.34 2.52 0.23 0.00 0.04 0.00 0.00 61.00 64.13 3i1y s PRO 302 Cb 0.09 -3.01 1.09 0.00 0.04 0.00 0.00 34.50 32.72 3i1y s PRO 302 CO -0.14 -0.52 1.92 -1.00 0.04 0.00 0.00 177.00 177.29 3i1y h PRO 303 N 3.84 0.00 -6.81 0.56 0.13 -1.99 -3.44 132.00 124.28 3i1y h PRO 303 Ca -0.49 0.00 -0.52 0.00 -0.87 0.00 0.00 66.00 64.12 3i1y h PRO 303 Cb 1.23 0.00 0.05 0.00 0.13 0.00 0.00 31.00 32.41 3i1y h PRO 303 CO 0.71 0.22 0.63 -1.21 -0.23 0.00 0.00 178.00 178.12 3i1y s GLU 304 N -3.93 4.39 0.14 0.86 8.01 -1.26 -4.92 118.70 122.00 3i1y s GLU 304 Ca -0.01 2.13 -0.14 0.00 0.01 0.00 0.00 54.97 56.96 3i1y s GLU 304 Cb 0.12 -3.12 0.02 0.00 -4.31 0.00 0.00 34.13 26.84 3i1y s GLU 304 CO 0.63 -0.17 1.67 0.82 0.01 0.00 0.00 175.26 178.22 3i1y h ILE 305 N 3.25 1.22 0.00 -1.63 2.04 -1.93 -2.84 117.51 117.62 3i1y h ILE 305 Ca -0.47 -0.73 0.00 0.00 1.00 0.00 0.00 64.86 64.65 3i1y h ILE 305 Cb 1.22 0.83 0.00 0.00 -0.74 0.00 0.00 36.82 38.14 3i1y h ILE 305 CO 0.70 0.27 0.00 -0.33 0.00 0.00 0.00 178.15 178.78 3i1y h GLU 306 N 0.60 0.00 0.00 2.37 3.07 -1.91 -1.25 114.58 117.46 3i1y h GLU 306 Ca 0.15 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.01 3i1y h GLU 306 Cb 0.26 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.17 3i1y h GLU 306 CO -0.01 0.00 0.00 0.39 -1.40 0.00 0.00 179.01 177.99 3i1y n GLU 307 N -2.29 0.09 -0.07 2.33 -0.58 -1.07 -2.81 120.64 116.23 3i1y n GLU 307 Ca 0.00 0.24 0.03 0.00 -0.42 0.00 0.00 57.16 57.02 3i1y n GLU 307 Cb 0.15 -1.50 0.04 0.00 -0.57 0.00 0.00 31.44 29.56 3i1y n GLU 307 CO 0.00 0.00 0.00 0.66 -0.48 0.00 0.00 177.13 177.31 3i1y n TYR 308 N -1.33 0.00 -2.09 -0.32 4.02 -0.47 -4.62 117.16 112.34 3i1y n TYR 308 Ca 0.03 -0.53 -0.33 0.00 -0.01 0.00 0.00 57.90 57.06 3i1y n TYR 308 Cb 0.07 -0.07 0.01 0.00 -0.02 0.00 0.00 39.34 39.32 3i1y n TYR 308 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 3i1y h MET 310 N 0.59 0.30 -0.58 0.00 2.86 -1.92 -1.99 114.93 114.18 3i1y h MET 310 Ca -0.47 -0.02 -0.03 0.00 -2.06 0.00 0.00 59.70 57.12 3i1y h MET 310 Cb 1.23 -0.07 -0.03 0.00 0.06 0.00 0.00 31.60 32.79 3i1y h MET 310 CO 0.57 0.20 0.26 1.49 1.06 0.00 0.00 176.91 180.49 3i1y h GLU 311 N 0.31 0.85 0.07 1.72 4.81 -1.95 0.48 114.58 120.87 3i1y h GLU 311 Ca 0.17 -0.14 -0.24 0.00 -0.13 0.00 0.00 59.36 59.01 3i1y h GLU 311 Cb 0.27 -0.15 -0.01 0.00 0.63 0.00 0.00 28.75 29.49 3i1y h GLU 311 CO -0.04 0.71 -1.12 -0.39 -0.73 0.00 0.00 179.01 177.44 3i1y h VAL 312 N 0.80 1.59 -0.54 0.32 -1.51 -1.76 -2.23 116.25 112.92 3i1y h VAL 312 Ca 0.20 -3.19 -0.03 0.00 -1.23 0.00 0.00 66.70 62.45 3i1y h VAL 312 Cb 0.15 2.88 -0.02 0.00 -2.13 0.00 0.00 31.29 32.17 3i1y h VAL 312 CO -0.02 0.92 0.23 -0.07 -1.23 0.00 0.00 177.57 177.40 3i1y h LEU 313 N 0.05 0.74 -0.28 4.19 3.38 -1.24 -0.92 115.31 121.22 3i1y h LEU 313 Ca -0.08 -0.16 -0.15 0.00 0.09 0.00 0.00 57.88 57.59 3i1y h LEU 313 Cb 1.86 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 42.42 3i1y h LEU 313 CO 0.17 0.69 -0.40 0.00 0.09 0.00 0.00 178.44 178.99 3i1y h LYS 315 N 0.53 1.28 -0.41 0.00 3.11 -1.30 -0.98 116.57 118.79 3i1y h LYS 315 Ca 0.03 -0.11 -0.10 0.00 -2.81 0.00 0.00 60.65 57.65 3i1y h LYS 315 Cb 1.00 -0.27 -0.02 0.00 -1.00 0.00 0.00 32.23 31.94 3i1y h LYS 315 CO 0.09 0.89 -0.16 0.93 -2.81 0.00 0.00 179.45 178.40 3i1y h GLU 316 N 1.30 0.78 -0.83 1.90 5.08 -1.07 -1.05 114.58 120.69 3i1y h GLU 316 Ca 0.34 -0.28 -0.04 0.00 -1.00 0.00 0.00 59.36 58.38 3i1y h GLU 316 Cb -0.06 -0.05 -0.04 0.00 0.50 0.00 0.00 28.75 29.10 3i1y h GLU 316 CO -0.06 0.89 0.37 0.52 -1.00 0.00 0.00 179.01 179.72 3i1y h MET 317 N 0.69 1.21 -0.59 2.33 2.86 -0.71 0.73 114.93 121.46 3i1y h MET 317 Ca 0.11 -0.20 -0.01 0.00 -2.06 0.00 0.00 59.70 57.54 3i1y h MET 317 Cb 0.65 -0.21 -0.03 0.00 0.06 0.00 0.00 31.60 32.07 3i1y h MET 317 CO 0.05 0.95 0.34 0.28 1.06 0.00 0.00 176.91 179.59 3i1y h VAL 318 N 1.19 1.18 -0.48 -2.22 2.07 -0.89 -2.15 116.25 114.95 3i1y h VAL 318 Ca 0.28 -0.45 -0.04 0.00 0.82 0.00 0.00 66.70 67.31 3i1y h VAL 318 Cb 0.16 0.41 -0.02 0.00 -1.52 0.00 0.00 31.29 30.32 3i1y h VAL 318 CO -0.03 0.20 0.12 0.74 0.02 0.00 0.00 177.57 178.62 3i1y h THR 319 N 0.80 1.21 -0.49 2.57 2.02 -0.72 -1.82 112.91 116.47 3i1y h THR 319 Ca 0.21 -0.73 0.03 0.00 0.77 0.00 0.00 66.41 66.69 3i1y h THR 319 Cb 0.02 0.71 -0.04 0.00 -1.74 0.00 0.00 68.15 67.10 3i1y h THR 319 CO -0.04 0.27 0.28 0.15 0.37 0.00 0.00 175.52 176.55 3i1y h PHE 320 N 0.70 0.52 -0.46 3.16 3.57 -0.29 -0.01 116.94 124.13 3i1y h PHE 320 Ca 0.16 0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.66 3i1y h PHE 320 Cb 0.25 -0.16 -0.02 0.00 2.79 0.00 0.00 35.95 38.81 3i1y h PHE 320 CO 0.01 0.28 0.22 -0.07 -2.23 0.00 0.00 178.31 176.53 3i1y h LEU 321 N 0.55 0.61 -0.06 0.59 3.38 -1.09 -2.59 115.31 116.70 3i1y h LEU 321 Ca 0.20 -0.13 0.04 0.00 0.09 0.00 0.00 57.88 58.08 3i1y h LEU 321 Cb 0.05 -0.16 -0.05 0.00 0.09 0.00 0.00 40.66 40.59 3i1y h LEU 321 CO -0.11 0.57 -0.30 0.44 0.09 0.00 0.00 178.44 179.13 3i1y h ASP 322 N 0.61 -0.92 0.15 -0.43 3.32 -0.59 0.39 116.42 118.96 3i1y h ASP 322 Ca 0.16 0.13 -0.01 0.00 0.02 0.00 0.00 57.03 57.32 3i1y h ASP 322 Cb 0.12 0.38 -0.00 0.00 0.22 0.00 0.00 39.33 40.05 3i1y h ASP 322 CO -0.02 -0.36 -0.07 0.11 -1.72 0.00 0.00 179.24 177.18 3i1y h LYS 323 N -0.42 0.00 -0.00 3.56 1.79 -0.99 -1.70 116.57 118.81 3i1y h LYS 323 Ca 0.08 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.55 3i1y h LYS 323 Cb 0.53 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.18 3i1y h LYS 323 CO -0.29 0.07 -0.33 1.28 -1.08 0.00 0.00 179.45 179.10 3i1y n LEU 324 N -3.93 0.68 -1.54 2.94 4.77 -0.69 -4.94 117.00 114.29 3i1y n LEU 324 Ca -0.03 -0.08 -0.10 0.00 -0.03 0.00 0.00 56.01 55.78 3i1y n LEU 324 Cb 0.16 -0.20 0.02 0.00 -2.33 0.00 0.00 43.42 41.07 3i1y n LEU 324 CO 0.30 0.14 0.03 0.61 -1.33 0.00 0.00 177.39 177.15 3i1y n GLY 325 N 1.41 0.22 3.33 -0.72 0.00 -0.45 -5.03 105.19 103.95 3i1y n GLY 325 Ca 0.09 -0.36 -0.35 0.00 0.00 0.00 0.00 46.02 45.40 3i1y n GLY 325 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3i1y s LEU 326 N -3.28 2.95 0.35 0.99 1.43 0.00 -4.96 118.68 116.16 3i1y s LEU 326 Ca 0.16 -0.36 0.19 0.00 -1.03 0.00 0.00 54.13 53.09 3i1y s LEU 326 Cb -0.07 -1.75 0.43 0.00 0.03 0.00 0.00 46.19 44.83 3i1y s LEU 326 CO 0.20 -0.01 1.61 0.77 0.23 0.00 0.00 176.35 179.16 3i1y h SER 327 N 8.05 0.00 -5.04 2.29 4.64 -1.95 -3.38 113.55 118.16 3i1y h SER 327 Ca -0.41 0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 60.83 3i1y h SER 327 Cb 1.16 0.00 -0.17 0.00 -0.31 0.00 0.00 62.40 63.09 3i1y h SER 327 CO 0.60 0.38 -0.13 -1.58 -0.87 0.00 0.00 176.83 175.22 3i1y s GLN 328 N -3.29 0.90 0.00 4.77 0.74 -1.26 -4.40 119.66 117.12 3i1y s GLN 328 Ca 0.02 -0.38 -0.20 0.00 0.05 0.00 0.00 55.36 54.85 3i1y s GLN 328 Cb 0.09 0.40 0.04 0.00 1.10 0.00 0.00 33.01 34.64 3i1y s GLN 328 CO 0.70 -0.30 0.44 0.00 -0.55 0.00 0.00 175.29 175.58 3i1y s ALA 329 N -2.47 -1.12 -0.02 1.58 0.00 -0.22 -4.74 121.76 114.78 3i1y s ALA 329 Ca -0.05 0.56 -0.27 0.00 0.00 0.00 0.00 51.96 52.20 3i1y s ALA 329 Cb -0.01 0.17 -0.04 0.00 0.00 0.00 0.00 23.12 23.25 3i1y s ALA 329 CO -0.02 -0.37 0.84 0.54 0.00 0.00 0.00 175.76 176.75 3i1y s VAL 330 N -1.76 4.91 -0.29 0.00 0.11 -0.38 -0.96 120.40 122.04 3i1y s VAL 330 Ca -0.10 1.77 -0.06 0.00 -2.93 0.00 0.00 61.98 60.66 3i1y s VAL 330 Cb -0.02 -4.19 0.01 0.00 -1.53 0.00 0.00 36.38 30.65 3i1y s VAL 330 CO 0.03 0.22 0.07 -0.36 -3.33 0.00 0.00 175.10 171.73 3i1y s PHE 331 N 0.78 3.14 -0.24 1.54 0.40 0.50 -0.06 117.98 124.03 3i1y s PHE 331 Ca 0.45 -1.02 -0.03 0.00 -0.60 0.00 0.00 56.93 55.73 3i1y s PHE 331 Cb -0.20 -2.23 0.01 0.00 0.51 0.00 0.00 43.02 41.11 3i1y s PHE 331 CO 0.24 -0.58 -0.05 0.42 0.70 0.00 0.00 175.22 175.95 3i1y s ILE 332 N 1.49 3.12 0.19 0.64 1.01 -0.02 -1.26 121.20 126.36 3i1y s ILE 332 Ca 0.02 -0.81 0.11 0.00 0.00 0.00 0.00 60.65 59.97 3i1y s ILE 332 Cb -0.17 -2.52 -0.04 0.00 0.01 0.00 0.00 42.46 39.74 3i1y s ILE 332 CO 0.02 0.27 -0.23 -0.83 0.00 0.00 0.00 174.94 174.17 3i1y s GLY 333 N 1.39 1.67 0.00 6.18 0.00 -0.00 0.04 107.32 116.60 3i1y s GLY 333 Ca 0.03 -1.62 0.04 0.00 0.00 0.00 0.00 44.72 43.17 3i1y s GLY 333 CO -0.04 -1.64 -0.12 -1.58 0.00 0.00 0.00 173.10 169.72 3i1y s HIS 334 N -1.68 1.09 0.00 1.90 5.04 -0.35 -0.51 115.29 120.79 3i1y s HIS 334 Ca 0.20 -0.24 0.00 0.00 -1.54 0.00 0.00 55.06 53.48 3i1y s HIS 334 Cb -0.08 -0.69 0.00 0.00 0.04 0.00 0.00 32.58 31.85 3i1y s HIS 334 CO 0.09 -0.01 0.00 -3.47 -2.34 0.00 0.00 174.74 169.01 3i1y n ASP 335 N 2.58 0.00 0.05 9.88 -0.08 -1.18 -0.86 116.55 126.93 3i1y n ASP 335 Ca -0.15 0.00 -0.01 0.00 -1.51 0.00 0.00 54.79 53.12 3i1y n ASP 335 Cb 0.56 0.00 0.27 0.00 2.34 0.00 0.00 41.12 44.29 3i1y n ASP 335 CO 0.00 0.00 0.00 -0.50 0.12 0.00 0.00 177.20 176.82 3i1y h TRP 336 N 0.00 0.44 -0.66 -0.67 4.06 -1.89 -2.13 115.95 115.10 3i1y h TRP 336 Ca 0.00 -0.07 -0.01 0.00 2.06 0.00 0.00 58.89 60.86 3i1y h TRP 336 Cb 0.00 -0.11 -0.03 0.00 -1.00 0.00 0.00 29.16 28.01 3i1y h TRP 336 CO 0.00 0.57 0.35 0.78 -3.56 0.00 0.00 178.44 176.58 3i1y h GLY 337 N 0.94 0.97 1.04 1.49 0.00 -0.75 -0.89 103.07 105.86 3i1y h GLY 337 Ca 0.06 -0.43 -0.05 0.00 0.00 0.00 0.00 47.33 46.92 3i1y h GLY 337 CO 0.04 0.41 0.29 -1.33 0.00 0.00 0.00 176.54 175.94 3i1y h GLY 338 N 0.97 1.19 0.80 4.60 0.00 -1.22 0.85 103.07 110.27 3i1y h GLY 338 Ca 0.23 -0.66 0.01 0.00 0.00 0.00 0.00 47.33 46.91 3i1y h GLY 338 CO -0.04 0.62 -0.14 1.98 0.00 0.00 0.00 176.54 178.96 3i1y h MET 339 N 1.07 -0.29 -0.61 4.80 -1.53 -1.00 -1.92 114.93 115.45 3i1y h MET 339 Ca 0.24 0.02 0.10 0.00 -3.44 0.00 0.00 59.70 56.62 3i1y h MET 339 Cb 0.23 0.07 -0.07 0.00 -0.55 0.00 0.00 31.60 31.27 3i1y h MET 339 CO -0.02 -0.19 0.21 1.25 0.14 0.00 0.00 176.91 178.30 3i1y h LEU 340 N -0.30 0.20 -1.07 3.39 7.12 -0.85 -2.12 115.31 121.69 3i1y h LEU 340 Ca 0.01 0.08 -0.01 0.00 0.13 0.00 0.00 57.88 58.10 3i1y h LEU 340 Cb 0.30 0.07 -0.04 0.00 -0.53 0.00 0.00 40.66 40.46 3i1y h LEU 340 CO -0.05 0.12 0.49 0.58 -0.13 0.00 0.00 178.44 179.44 3i1y h VAL 341 N 0.39 1.23 -0.24 1.05 2.07 -0.52 -0.66 116.25 119.57 3i1y h VAL 341 Ca 0.31 -0.53 -0.07 0.00 0.82 0.00 0.00 66.70 67.23 3i1y h VAL 341 Cb 0.39 0.08 -0.01 0.00 -1.52 0.00 0.00 31.29 30.22 3i1y h VAL 341 CO -0.32 0.25 -0.14 -0.50 0.02 0.00 0.00 177.57 176.88 3i1y h TRP 342 N 1.15 0.44 0.01 1.57 -0.00 -0.68 -2.14 115.95 116.29 3i1y h TRP 342 Ca 0.30 -0.06 -0.20 0.00 -0.00 0.00 0.00 58.89 58.92 3i1y h TRP 342 Cb -0.03 -0.12 -0.01 0.00 -0.00 0.00 0.00 29.16 29.00 3i1y h TRP 342 CO 0.01 0.54 -0.92 1.88 -0.00 0.00 0.00 178.44 179.95 3i1y h TYR 343 N 0.38 0.29 -0.63 0.49 0.99 -1.07 -1.95 116.97 115.48 3i1y h TYR 343 Ca 0.07 -0.17 0.08 0.00 2.00 0.00 0.00 58.73 60.71 3i1y h TYR 343 Cb 0.48 -0.03 -0.06 0.00 1.00 0.00 0.00 36.73 38.11 3i1y h TYR 343 CO 0.01 1.00 0.29 0.52 -0.00 0.00 0.00 178.16 179.98 3i1y h MET 344 N 0.10 0.50 -0.55 4.88 2.86 -0.87 0.23 114.93 122.08 3i1y h MET 344 Ca -0.05 -0.03 -0.08 0.00 -2.06 0.00 0.00 59.70 57.48 3i1y h MET 344 Cb 1.56 -0.11 -0.02 0.00 0.06 0.00 0.00 31.60 33.09 3i1y h MET 344 CO 0.14 0.33 0.00 0.00 1.06 0.00 0.00 176.91 178.44 3i1y h ALA 345 N 1.39 0.97 0.00 6.32 0.00 -1.16 0.12 119.26 126.90 3i1y h ALA 345 Ca 0.30 -0.29 -0.20 0.00 0.00 0.00 0.00 54.91 54.73 3i1y h ALA 345 Cb 0.31 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.86 3i1y h ALA 345 CO -0.25 0.62 -0.94 -0.07 0.00 0.00 0.00 179.25 178.62 3i1y h LEU 346 N 0.86 0.00 0.00 0.00 3.38 -0.95 -3.29 115.31 115.31 3i1y h LEU 346 Ca 0.16 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.13 3i1y h LEU 346 Cb 0.50 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.25 3i1y h LEU 346 CO 0.02 0.94 -1.48 0.49 0.09 0.00 0.00 178.44 178.50 3i1y n PHE 347 N -3.39 0.00 -3.04 1.13 3.72 0.03 -4.75 117.46 111.17 3i1y n PHE 347 Ca 0.00 0.00 -0.15 0.00 -0.05 0.00 0.00 57.45 57.25 3i1y n PHE 347 Cb 0.90 -0.25 -0.01 0.00 -0.94 0.00 0.00 39.48 39.18 3i1y n PHE 347 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 176.76 177.37 3i1y n TYR 348 N -1.87 0.36 -0.21 1.38 4.02 0.40 -4.96 117.16 116.30 3i1y n TYR 348 Ca -0.02 -3.51 0.17 0.00 -0.01 0.00 0.00 57.90 54.53 3i1y n TYR 348 Cb 0.29 -0.36 0.50 0.00 -0.02 0.00 0.00 39.34 39.75 3i1y n TYR 348 CO 0.00 0.00 0.00 -1.35 -1.01 0.00 0.00 176.86 174.50 3i1y h PRO 349 N 2.99 0.41 0.00 -0.72 0.11 -1.64 0.19 132.00 133.35 3i1y h PRO 349 Ca 0.04 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 66.12 3i1y h PRO 349 Cb 1.03 -0.09 -0.00 0.00 0.11 0.00 0.00 31.00 32.04 3i1y h PRO 349 CO 0.49 0.27 -0.05 0.93 -0.21 0.00 0.00 178.00 179.44 3i1y h GLU 350 N 0.42 0.00 0.00 1.05 3.07 -1.92 -2.64 114.58 114.57 3i1y h GLU 350 Ca 0.42 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.28 3i1y h GLU 350 Cb 0.99 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.90 3i1y h GLU 350 CO -0.15 0.05 -1.22 0.54 -1.40 0.00 0.00 179.01 176.83 3i1y n ARG 351 N -3.71 0.32 -3.62 2.33 5.12 0.05 -4.72 116.66 112.43 3i1y n ARG 351 Ca -0.03 -0.04 -0.40 0.00 -1.93 0.00 0.00 57.85 55.46 3i1y n ARG 351 Cb 0.14 -1.57 -0.10 0.00 -1.16 0.00 0.00 32.46 29.77 3i1y n ARG 351 CO 0.00 0.00 0.00 0.08 -1.93 0.00 0.00 177.63 175.78 3i1y s VAL 352 N -3.23 4.23 0.22 1.55 1.01 -1.00 -1.05 120.40 122.13 3i1y s VAL 352 Ca 0.02 -1.29 -0.09 0.00 0.00 0.00 0.00 61.98 60.63 3i1y s VAL 352 Cb 0.14 -3.54 0.16 0.00 0.00 0.00 0.00 36.38 33.15 3i1y s VAL 352 CO 0.84 -0.43 1.84 -0.09 0.00 0.00 0.00 175.10 177.26 3i1y h ARG 353 N 8.39 0.84 -2.25 2.72 9.65 -1.32 -3.46 114.38 128.96 3i1y h ARG 353 Ca -0.23 -0.05 0.02 0.00 -1.10 0.00 0.00 59.98 58.61 3i1y h ARG 353 Cb 1.09 -0.19 -0.17 0.00 -1.39 0.00 0.00 29.97 29.31 3i1y h ARG 353 CO 0.73 0.56 0.33 0.00 2.80 0.00 0.00 179.97 184.39 3i1y s ALA 354 N -6.10 -1.77 -0.02 2.80 0.00 -1.26 -4.46 121.76 110.95 3i1y s ALA 354 Ca -0.13 1.08 0.08 0.00 0.00 0.00 0.00 51.96 52.99 3i1y s ALA 354 Cb 0.16 0.20 -0.02 0.00 0.00 0.00 0.00 23.12 23.46 3i1y s ALA 354 CO 0.77 -0.54 -0.25 0.14 0.00 0.00 0.00 175.76 175.89 3i1y s VAL 355 N -2.30 2.16 -0.05 0.00 -7.23 -0.52 -0.37 120.40 112.10 3i1y s VAL 355 Ca -0.02 -1.09 -0.04 0.00 -1.81 0.00 0.00 61.98 59.02 3i1y s VAL 355 Cb -0.01 -1.76 0.02 0.00 0.56 0.00 0.00 36.38 35.19 3i1y s VAL 355 CO -0.02 0.56 0.12 0.00 -0.31 0.00 0.00 175.10 175.45 3i1y s ALA 356 N -0.64 -0.26 -0.00 1.32 0.00 -0.39 -0.87 121.76 120.91 3i1y s ALA 356 Ca 0.10 0.38 0.07 0.00 0.00 0.00 0.00 51.96 52.52 3i1y s ALA 356 Cb -0.10 -0.24 -0.02 0.00 0.00 0.00 0.00 23.12 22.76 3i1y s ALA 356 CO -0.01 -0.07 -0.22 0.45 0.00 0.00 0.00 175.76 175.91 3i1y s SER 357 N 0.29 2.61 -0.23 0.00 0.15 -0.55 -0.82 113.70 115.15 3i1y s SER 357 Ca -0.02 -0.44 -0.08 0.00 0.70 0.00 0.00 55.95 56.11 3i1y s SER 357 Cb -0.03 -0.27 -0.04 0.00 -1.71 0.00 0.00 66.02 63.97 3i1y s SER 357 CO -0.01 0.25 0.09 -0.76 1.20 0.00 0.00 173.24 174.01 3i1y s LEU 358 N -0.70 3.67 0.00 3.45 1.43 0.34 -1.20 118.68 125.67 3i1y s LEU 358 Ca 0.09 -0.07 0.00 0.00 -1.03 0.00 0.00 54.13 53.11 3i1y s LEU 358 Cb -0.09 -1.97 0.00 0.00 0.03 0.00 0.00 46.19 44.16 3i1y s LEU 358 CO -0.00 0.04 0.00 0.59 0.23 0.00 0.00 176.35 177.21 3i1y n ASN 359 N 4.46 0.00 -4.58 2.29 4.13 0.11 -3.13 115.26 118.53 3i1y n ASN 359 Ca -0.16 0.00 -0.43 0.00 1.68 0.00 0.00 54.58 55.67 3i1y n ASN 359 Cb 0.52 0.00 -0.03 0.00 -1.54 0.00 0.00 39.78 38.72 3i1y n ASN 359 CO 0.00 0.00 0.00 -0.89 0.28 0.00 0.00 177.26 176.65 3i1y s THR 360 N 0.00 4.43 0.77 3.41 2.01 -1.26 -4.75 115.64 120.26 3i1y s THR 360 Ca 0.00 1.00 -0.11 0.00 0.31 0.00 0.00 61.69 62.88 3i1y s THR 360 Cb 0.00 -4.45 0.05 0.00 0.01 0.00 0.00 72.50 68.11 3i1y s THR 360 CO 0.00 -0.80 1.09 -2.16 -0.69 0.00 0.00 174.62 172.06 3i1y s PRO 361 N 3.86 2.30 -0.46 4.92 0.04 -1.26 -4.81 135.00 139.59 3i1y s PRO 361 Ca 0.40 0.66 -0.17 0.00 0.04 0.00 0.00 61.00 61.93 3i1y s PRO 361 Cb -0.10 -1.94 0.05 0.00 0.04 0.00 0.00 34.50 32.55 3i1y s PRO 361 CO 0.26 -1.47 0.48 0.12 0.04 0.00 0.00 177.00 176.42 3i1y s PHE 362 N -3.17 3.16 -0.27 0.56 5.36 -1.26 -4.90 117.98 117.46 3i1y s PHE 362 Ca 0.60 -0.59 -0.06 0.00 -0.96 0.00 0.00 56.93 55.92 3i1y s PHE 362 Cb -0.14 -3.15 -0.00 0.00 -0.34 0.00 0.00 43.02 39.39 3i1y s PHE 362 CO 0.54 -0.82 0.05 0.42 -1.46 0.00 0.00 175.22 173.95 3i1y s ILE 363 N 2.13 3.93 0.41 3.12 -1.09 -1.26 -4.73 121.20 123.71 3i1y s ILE 363 Ca 0.10 -0.51 -0.26 0.00 -2.23 0.00 0.00 60.65 57.75 3i1y s ILE 363 Cb -0.20 -2.93 -0.08 0.00 -1.58 0.00 0.00 42.46 37.67 3i1y s ILE 363 CO 0.11 0.22 1.26 -2.16 -1.23 0.00 0.00 174.94 173.14 3i1y s PRO 364 N 1.53 3.96 0.62 2.79 0.04 -1.26 -4.97 135.00 137.70 3i1y s PRO 364 Ca 0.04 2.06 -0.19 0.00 0.04 0.00 0.00 61.00 62.96 3i1y s PRO 364 Cb -0.16 -2.71 -0.02 0.00 0.04 0.00 0.00 34.50 31.64 3i1y s PRO 364 CO 0.02 -0.47 1.29 0.00 0.04 0.00 0.00 177.00 177.88 3i1y n ALA 365 N 0.07 1.21 -2.54 8.56 0.00 -1.26 -4.98 120.51 121.56 3i1y n ALA 365 Ca 0.04 0.03 -0.43 0.00 0.00 0.00 0.00 53.44 53.08 3i1y n ALA 365 Cb 0.44 -2.32 -0.08 0.00 0.00 0.00 0.00 19.45 17.49 3i1y n ALA 365 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 3i1y s ASN 366 N -1.25 6.21 0.65 0.00 3.84 -1.26 -4.94 114.94 118.19 3i1y s ASN 366 Ca 0.80 -0.70 0.43 0.00 0.21 0.00 0.00 52.86 53.60 3i1y s ASN 366 Cb -0.39 -2.24 2.30 0.00 -0.55 0.00 0.00 41.25 40.36 3i1y s ASN 366 CO 0.43 -0.65 2.33 -0.65 -2.79 0.00 0.00 177.10 175.77 3i1y h PRO 367 N 8.78 0.00 0.00 0.43 0.11 -1.97 -3.21 132.00 136.14 3i1y h PRO 367 Ca -0.26 0.00 -0.08 0.00 0.11 0.00 0.00 66.00 65.76 3i1y h PRO 367 Cb 1.11 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.20 3i1y h PRO 367 CO 0.83 0.00 -0.90 0.09 -0.21 0.00 0.00 178.00 177.82 3i1y n ASN 368 N -3.15 1.85 -4.75 -2.05 3.02 -1.26 -4.94 115.26 103.97 3i1y n ASN 368 Ca -0.03 0.52 -0.40 0.00 -0.03 0.00 0.00 54.58 54.65 3i1y n ASN 368 Cb 0.09 -0.87 -0.06 0.00 -0.61 0.00 0.00 39.78 38.34 3i1y n ASN 368 CO 0.00 0.00 0.00 -0.04 -2.62 0.00 0.00 177.26 174.60 3i1y s MET 369 N -2.40 4.82 0.63 3.52 -1.94 -1.21 -5.03 119.30 117.68 3i1y s MET 369 Ca -0.22 1.46 -0.18 0.00 -1.71 0.00 0.00 55.69 55.04 3i1y s MET 369 Cb 0.04 -3.23 -0.02 0.00 2.01 0.00 0.00 34.83 33.63 3i1y s MET 369 CO 0.35 0.50 1.25 -1.12 -0.01 0.00 0.00 175.02 175.99 3i1y s SER 370 N -1.22 4.82 0.00 3.03 0.01 -1.26 -4.71 113.70 114.36 3i1y s SER 370 Ca 0.42 2.50 0.11 0.00 1.31 0.00 0.00 55.95 60.28 3i1y s SER 370 Cb -0.25 -2.61 0.52 0.00 0.21 0.00 0.00 66.02 63.89 3i1y s SER 370 CO 0.31 -1.85 1.26 -2.65 0.41 0.00 0.00 173.24 170.71 3i1y n PRO 371 N -1.84 0.12 -0.08 12.44 -0.02 -1.26 -1.89 135.00 142.46 3i1y n PRO 371 Ca 0.15 0.22 -0.22 0.00 -2.02 0.00 0.00 63.50 61.62 3i1y n PRO 371 Cb 0.49 -1.50 -0.12 0.00 -0.02 0.00 0.00 33.50 32.35 3i1y n PRO 371 CO 0.00 0.00 0.00 -0.11 1.98 0.00 0.00 175.50 177.37 3i1y n LEU 372 N -1.34 2.12 -0.04 2.45 7.94 -1.26 -3.04 117.00 123.83 3i1y n LEU 372 Ca 0.04 0.34 -0.08 0.00 -1.11 0.00 0.00 56.01 55.20 3i1y n LEU 372 Cb 0.09 -0.99 -0.02 0.00 0.53 0.00 0.00 43.42 43.03 3i1y n LEU 372 CO 0.09 0.48 0.74 -0.33 -1.11 0.00 0.00 177.39 177.25 3i1y h GLU 373 N -0.68 -0.18 -0.89 1.96 5.08 -1.86 0.26 114.58 118.27 3i1y h GLU 373 Ca -0.41 0.01 0.05 0.00 -1.00 0.00 0.00 59.36 58.01 3i1y h GLU 373 Cb 1.55 0.04 -0.06 0.00 0.50 0.00 0.00 28.75 30.78 3i1y h GLU 373 CO -0.15 -0.12 0.56 0.77 -1.00 0.00 0.00 179.01 179.07 3i1y h SER 374 N -0.19 0.91 0.72 1.42 0.02 -1.55 0.15 113.55 115.03 3i1y h SER 374 Ca 0.13 0.01 -0.24 0.00 -0.84 0.00 0.00 61.79 60.84 3i1y h SER 374 Cb 0.38 -0.19 -0.01 0.00 0.14 0.00 0.00 62.40 62.73 3i1y h SER 374 CO -0.33 0.60 -1.10 0.40 -1.14 0.00 0.00 176.83 175.26 3i1y h ILE 375 N 1.05 1.56 -0.22 3.27 1.08 -1.40 -3.01 117.51 119.84 3i1y h ILE 375 Ca 0.37 -3.07 -0.05 0.00 -0.39 0.00 0.00 64.86 61.73 3i1y h ILE 375 Cb 0.11 2.82 -0.01 0.00 -3.07 0.00 0.00 36.82 36.66 3i1y h ILE 375 CO -0.15 0.89 -0.08 0.11 -0.69 0.00 0.00 178.15 178.23 3i1y h LYS 376 N 0.06 0.35 0.00 2.37 1.57 -0.04 -2.80 116.57 118.08 3i1y h LYS 376 Ca -0.08 -0.08 0.00 0.00 -1.87 0.00 0.00 60.65 58.62 3i1y h LYS 376 Cb 1.82 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 34.08 3i1y h LYS 376 CO 0.17 0.44 0.00 0.00 -0.57 0.00 0.00 179.45 179.49 3i1y n ALA 377 N -2.49 1.83 -3.89 3.86 0.00 0.49 -4.31 120.51 116.00 3i1y n ALA 377 Ca 0.00 -0.05 -0.30 0.00 0.00 0.00 0.00 53.44 53.09 3i1y n ALA 377 Cb 0.26 -1.14 -0.16 0.00 0.00 0.00 0.00 19.45 18.41 3i1y n ALA 377 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 3i1y s ASN 378 N -1.98 3.69 0.35 0.00 3.84 -1.06 -5.02 114.94 114.76 3i1y s ASN 378 Ca 0.13 -1.16 0.11 0.00 0.21 0.00 0.00 52.86 52.14 3i1y s ASN 378 Cb 0.06 -1.05 0.89 0.00 -0.55 0.00 0.00 41.25 40.60 3i1y s ASN 378 CO 0.10 -0.27 1.81 -0.65 -2.79 0.00 0.00 177.10 175.30 3i1y h PRO 379 N 8.01 0.59 0.00 0.43 0.11 -1.85 0.21 132.00 139.51 3i1y h PRO 379 Ca -0.17 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 65.90 3i1y h PRO 379 Cb 1.08 -0.13 -0.00 0.00 0.11 0.00 0.00 31.00 32.05 3i1y h PRO 379 CO 0.40 0.39 -0.04 -0.39 -0.21 0.00 0.00 178.00 178.15 3i1y h VAL 380 N 0.61 0.15 -0.45 3.15 -1.51 -1.93 -2.49 116.25 113.78 3i1y h VAL 380 Ca 0.54 -0.44 -0.05 0.00 -1.23 0.00 0.00 66.70 65.52 3i1y h VAL 380 Cb 1.04 1.37 -0.03 0.00 -2.13 0.00 0.00 31.29 31.54 3i1y h VAL 380 CO -0.29 0.04 0.07 0.49 -1.23 0.00 0.00 177.57 176.65 3i1y n PHE 381 N -3.22 1.59 -0.06 5.19 3.72 0.06 -4.41 117.46 120.33 3i1y n PHE 381 Ca -0.01 -0.65 -0.00 0.00 -0.05 0.00 0.00 57.45 56.74 3i1y n PHE 381 Cb 0.24 -0.45 0.28 0.00 -0.94 0.00 0.00 39.48 38.62 3i1y n PHE 381 CO 0.00 0.00 0.00 0.22 -0.05 0.00 0.00 176.76 176.93 3i1y h ASP 382 N 2.52 0.61 0.57 4.37 3.58 -1.54 -2.31 116.42 124.21 3i1y h ASP 382 Ca 0.07 -0.08 0.00 0.00 0.42 0.00 0.00 57.03 57.43 3i1y h ASP 382 Cb 1.67 -0.16 0.00 0.00 1.72 0.00 0.00 39.33 42.56 3i1y h ASP 382 CO 0.42 0.58 0.00 0.00 -2.88 0.00 0.00 179.24 177.36 3i1y n TYR 383 N -4.33 0.29 0.17 0.28 0.18 -1.26 -2.41 117.16 110.09 3i1y n TYR 383 Ca 0.03 0.11 0.08 0.00 1.88 0.00 0.00 57.90 60.01 3i1y n TYR 383 Cb 0.18 -0.68 0.09 0.00 -0.38 0.00 0.00 39.34 38.55 3i1y n TYR 383 CO 0.00 0.00 0.00 1.96 -2.08 0.00 0.00 176.86 176.74 3i1y h GLN 384 N 0.00 0.00 0.03 -3.48 4.20 -1.75 -2.26 115.11 111.85 3i1y h GLN 384 Ca 0.00 0.00 -0.22 0.00 0.06 0.00 0.00 58.65 58.49 3i1y h GLN 384 Cb 0.28 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.06 3i1y h GLN 384 CO 0.00 0.19 -0.99 -0.07 -0.67 0.00 0.00 178.83 177.30 3i1y h LEU 385 N 0.00 0.38 -1.60 1.46 3.38 -1.60 -3.11 115.31 114.21 3i1y h LEU 385 Ca -0.01 -0.33 -0.01 0.00 0.09 0.00 0.00 57.88 57.62 3i1y h LEU 385 Cb 1.16 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.78 3i1y h LEU 385 CO 0.03 1.16 0.11 0.22 0.09 0.00 0.00 178.44 180.04 3i1y h TYR 386 N 0.14 0.36 0.00 1.13 3.20 -1.52 -2.63 116.97 117.65 3i1y h TYR 386 Ca -0.07 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.79 3i1y h TYR 386 Cb 1.65 -0.12 0.00 0.00 1.54 0.00 0.00 36.73 39.80 3i1y h TYR 386 CO 0.05 0.29 0.00 1.19 -1.64 0.00 0.00 178.16 178.05 3i1y n PHE 387 N -4.43 0.87 0.04 -3.82 3.72 -0.87 -4.15 117.46 108.82 3i1y n PHE 387 Ca 0.01 0.27 -0.13 0.00 -0.05 0.00 0.00 57.45 57.55 3i1y n PHE 387 Cb 0.13 -0.93 -0.08 0.00 -0.94 0.00 0.00 39.48 37.65 3i1y n PHE 387 CO 0.00 0.00 0.00 1.96 -0.05 0.00 0.00 176.76 178.67 3i1y h GLN 388 N 0.00 -0.07 -6.37 -1.08 1.08 -1.48 -3.42 115.11 103.78 3i1y h GLN 388 Ca 0.00 0.00 -0.57 0.00 -1.45 0.00 0.00 58.65 56.63 3i1y h GLN 388 Cb 0.66 0.01 -0.04 0.00 -0.05 0.00 0.00 27.48 28.06 3i1y h GLN 388 CO 0.00 0.15 1.13 -2.00 -0.95 0.00 0.00 178.83 177.15 3i1y s GLU 389 N -5.36 3.63 0.21 1.46 2.56 -1.26 -4.95 118.70 115.00 3i1y s GLU 389 Ca -0.14 1.33 -0.32 0.00 0.00 0.00 0.00 54.97 55.83 3i1y s GLU 389 Cb 0.04 -4.05 -0.13 0.00 2.00 0.00 0.00 34.13 31.99 3i1y s GLU 389 CO 0.65 -1.49 1.62 -2.30 -0.56 0.00 0.00 175.26 173.18 3i1y n PRO 390 N 7.93 2.49 0.00 4.30 -0.02 -1.26 -2.96 135.00 145.48 3i1y n PRO 390 Ca 0.19 0.89 0.00 0.00 -2.02 0.00 0.00 63.50 62.56 3i1y n PRO 390 Cb 0.47 -2.68 0.00 0.00 -0.02 0.00 0.00 33.50 31.26 3i1y n PRO 390 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3i1y n GLY 391 N 3.23 3.08 0.33 -1.23 0.00 -1.26 -4.91 105.19 104.43 3i1y n GLY 391 Ca 0.14 -0.89 -0.12 0.00 0.00 0.00 0.00 46.02 45.15 3i1y n GLY 391 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3i1y h VAL 392 N 0.00 0.00 -0.49 1.61 2.07 -1.90 -0.93 116.25 116.61 3i1y h VAL 392 Ca 0.00 0.00 -0.06 0.00 0.82 0.00 0.00 66.70 67.46 3i1y h VAL 392 Cb 0.00 0.00 -0.02 0.00 -1.52 0.00 0.00 31.29 29.75 3i1y h VAL 392 CO 0.00 0.00 0.08 0.00 0.02 0.00 0.00 177.57 177.67 3i1y h ALA 393 N -1.37 1.22 -0.68 1.67 0.00 -1.79 -2.03 119.26 116.28 3i1y h ALA 393 Ca -0.06 -0.22 0.10 0.00 0.00 0.00 0.00 54.91 54.74 3i1y h ALA 393 Cb 0.60 -0.20 -0.08 0.00 0.00 0.00 0.00 17.79 18.11 3i1y h ALA 393 CO 0.03 0.53 0.29 0.93 0.00 0.00 0.00 179.25 181.03 3i1y h GLU 394 N 0.73 0.47 -0.06 0.00 3.07 -1.88 -1.85 114.58 115.07 3i1y h GLU 394 Ca 0.16 -0.03 0.00 0.00 -0.50 0.00 0.00 59.36 58.99 3i1y h GLU 394 Cb 0.33 -0.11 -0.00 0.00 -0.84 0.00 0.00 28.75 28.13 3i1y h GLU 394 CO 0.00 0.31 0.03 0.00 -1.40 0.00 0.00 179.01 177.96 3i1y h ALA 395 N 1.45 0.07 0.00 3.43 0.00 -0.40 0.22 119.26 124.03 3i1y h ALA 395 Ca 0.35 -0.00 -0.14 0.00 0.00 0.00 0.00 54.91 55.12 3i1y h ALA 395 Cb 0.43 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.18 3i1y h ALA 395 CO -0.31 -0.44 -0.64 1.05 0.00 0.00 0.00 179.25 178.91 3i1y h GLU 396 N 0.07 0.00 0.00 0.00 4.11 -1.51 -1.32 114.58 115.94 3i1y h GLU 396 Ca 0.02 0.00 -0.21 0.00 0.07 0.00 0.00 59.36 59.24 3i1y h GLU 396 Cb -0.01 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.24 3i1y h GLU 396 CO -0.01 0.64 -0.90 -0.07 0.07 0.00 0.00 179.01 178.75 3i1y h LEU 397 N 0.00 0.36 0.00 3.06 3.38 -1.10 -3.24 115.31 117.78 3i1y h LEU 397 Ca -0.01 -0.29 0.00 0.00 0.09 0.00 0.00 57.88 57.67 3i1y h LEU 397 Cb 1.42 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 42.06 3i1y h LEU 397 CO 0.08 1.09 -0.57 -0.62 0.09 0.00 0.00 178.44 178.51 3i1y n GLU 398 N -3.69 0.27 -0.13 1.13 1.02 0.75 -4.22 120.64 115.76 3i1y n GLU 398 Ca -0.05 0.09 -0.06 0.00 -0.02 0.00 0.00 57.16 57.13 3i1y n GLU 398 Cb 0.82 -1.68 0.03 0.00 -0.02 0.00 0.00 31.44 30.58 3i1y n GLU 398 CO 0.00 0.00 0.00 0.37 1.18 0.00 0.00 177.13 178.68 3i1y h GLN 399 N 0.00 0.38 -2.53 3.49 5.75 -1.26 -3.38 115.11 117.57 3i1y h GLN 399 Ca 0.00 -0.02 -0.49 0.00 -0.15 0.00 0.00 58.65 57.98 3i1y h GLN 399 Cb 0.73 -0.09 -0.38 0.00 1.07 0.00 0.00 27.48 28.81 3i1y h GLN 399 CO 0.00 0.25 -0.77 1.21 -2.65 0.00 0.00 178.83 176.88 3i1y s ASN 400 N -5.44 2.79 0.07 -0.69 3.84 -1.26 -5.05 114.94 109.20 3i1y s ASN 400 Ca -0.13 -1.50 -0.28 0.00 0.21 0.00 0.00 52.86 51.16 3i1y s ASN 400 Cb 0.13 -0.12 -0.17 0.00 -0.55 0.00 0.00 41.25 40.54 3i1y s ASN 400 CO 0.72 -0.37 1.61 -0.07 -2.79 0.00 0.00 177.10 176.19 3i1y h LEU 401 N 7.82 -0.39 -0.72 3.21 3.38 -1.77 0.67 115.31 127.51 3i1y h LEU 401 Ca -0.08 -0.03 0.13 0.00 0.09 0.00 0.00 57.88 57.99 3i1y h LEU 401 Cb 1.01 0.10 -0.09 0.00 0.09 0.00 0.00 40.66 41.78 3i1y h LEU 401 CO 0.34 -0.23 0.29 0.77 0.09 0.00 0.00 178.44 179.70 3i1y h SER 402 N -0.53 0.29 0.10 -0.43 4.64 -1.94 -1.84 113.55 113.85 3i1y h SER 402 Ca -0.05 0.10 -0.01 0.00 -0.47 0.00 0.00 61.79 61.36 3i1y h SER 402 Cb 0.40 0.07 0.00 0.00 -0.31 0.00 0.00 62.40 62.56 3i1y h SER 402 CO 0.08 0.13 -0.05 -0.09 -0.87 0.00 0.00 176.83 176.03 3i1y h ARG 403 N 0.46 -0.13 -0.73 4.77 2.43 -1.84 -0.99 114.38 118.35 3i1y h ARG 403 Ca 0.39 0.01 0.16 0.00 -0.81 0.00 0.00 59.98 59.73 3i1y h ARG 403 Cb 0.55 0.03 -0.12 0.00 -0.42 0.00 0.00 29.97 30.01 3i1y h ARG 403 CO -0.37 0.02 0.12 1.15 -1.51 0.00 0.00 179.97 179.38 3i1y h THR 404 N -0.26 0.46 0.22 0.20 2.02 -0.13 -0.40 112.91 115.02 3i1y h THR 404 Ca -0.01 -0.07 -0.31 0.00 0.77 0.00 0.00 66.41 66.79 3i1y h THR 404 Cb 0.21 0.24 0.04 0.00 -1.74 0.00 0.00 68.15 66.90 3i1y h THR 404 CO 0.02 0.04 -1.33 -0.26 0.37 0.00 0.00 175.52 174.36 3i1y h PHE 405 N 0.20 0.92 -0.55 3.16 0.04 -1.28 -2.45 116.94 116.98 3i1y h PHE 405 Ca 0.41 -0.66 0.07 0.00 2.80 0.00 0.00 57.97 60.59 3i1y h PHE 405 Cb 0.71 -0.04 -0.03 0.00 2.20 0.00 0.00 35.95 38.78 3i1y h PHE 405 CO -0.31 1.51 0.37 0.87 -0.60 0.00 0.00 178.31 180.14 3i1y h LYS 406 N 0.07 0.47 -0.10 1.51 1.57 -0.85 0.18 116.57 119.42 3i1y h LYS 406 Ca -0.23 -0.03 -0.13 0.00 -1.87 0.00 0.00 60.65 58.39 3i1y h LYS 406 Cb 2.04 -0.11 0.01 0.00 0.08 0.00 0.00 32.23 34.25 3i1y h LYS 406 CO 0.25 0.31 -0.46 0.77 -0.57 0.00 0.00 179.45 179.75 3i1y h SER 407 N 0.48 0.57 0.32 0.86 0.02 -1.09 -3.38 113.55 111.33 3i1y h SER 407 Ca 0.24 -0.64 -0.02 0.00 -0.84 0.00 0.00 61.79 60.53 3i1y h SER 407 Cb 0.33 -0.17 0.00 0.00 0.14 0.00 0.00 62.40 62.70 3i1y h SER 407 CO -0.07 1.12 -0.16 -0.07 -1.14 0.00 0.00 176.83 176.52 3i1y h LEU 408 N 0.06 -0.37 -7.83 5.07 3.38 -0.88 -3.40 115.31 111.34 3i1y h LEU 408 Ca -0.03 -0.07 -0.38 0.00 0.09 0.00 0.00 57.88 57.48 3i1y h LEU 408 Cb 1.11 0.10 -0.03 0.00 0.09 0.00 0.00 40.66 41.92 3i1y h LEU 408 CO 0.10 0.10 1.26 0.49 0.09 0.00 0.00 178.44 180.47 3i1y n PHE 409 N -5.07 2.78 -4.15 1.13 3.72 0.55 -4.87 117.46 111.56 3i1y n PHE 409 Ca -0.07 -1.59 -0.15 0.00 -0.05 0.00 0.00 57.45 55.60 3i1y n PHE 409 Cb 0.21 -2.54 -0.11 0.00 -0.94 0.00 0.00 39.48 36.10 3i1y n PHE 409 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 176.76 177.74 3i1y s ARG 410 N 6.18 0.77 0.95 -1.08 0.52 -1.26 -4.62 118.95 120.42 3i1y s ARG 410 Ca 0.66 -1.02 -0.14 0.00 -0.52 0.00 0.00 55.73 54.72 3i1y s ARG 410 Cb 0.01 -0.57 0.17 0.00 0.52 0.00 0.00 34.95 35.08 3i1y s ARG 410 CO 0.13 0.10 1.18 0.00 0.02 0.00 0.00 175.30 176.73 3i1y s ALA 411 N -1.89 1.79 0.31 2.13 0.00 -1.26 -4.81 121.76 118.03 3i1y s ALA 411 Ca 0.00 -0.74 0.08 0.00 0.00 0.00 0.00 51.96 51.31 3i1y s ALA 411 Cb -0.06 -2.95 0.86 0.00 0.00 0.00 0.00 23.12 20.96 3i1y s ALA 411 CO 0.01 -2.44 1.71 0.77 0.00 0.00 0.00 175.76 175.80 3i1y h SER 412 N -1.64 0.53 0.00 0.00 0.02 -1.91 -3.07 113.55 107.49 3i1y h SER 412 Ca -0.48 0.15 0.00 0.00 -0.84 0.00 0.00 61.79 60.62 3i1y h SER 412 Cb 1.31 0.08 0.00 0.00 0.14 0.00 0.00 62.40 63.93 3i1y h SER 412 CO 0.54 0.03 -0.15 -2.24 -1.14 0.00 0.00 176.83 173.87 3i1y h ASP 413 N 0.48 0.00 0.00 3.07 3.04 -1.96 -3.40 116.42 117.65 3i1y h ASP 413 Ca 0.63 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 54.42 3i1y h ASP 413 Cb 1.23 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 39.52 3i1y h ASP 413 CO -0.51 0.53 0.00 -1.84 -2.04 0.00 0.00 179.24 175.37 3i1y n GLU 414 N -4.48 0.48 -1.73 4.15 0.28 -1.16 -4.87 120.64 113.31 3i1y n GLU 414 Ca -0.02 0.00 -0.33 0.00 -0.16 0.00 0.00 57.16 56.65 3i1y n GLU 414 Cb 0.08 -1.26 0.05 0.00 1.43 0.00 0.00 31.44 31.74 3i1y n GLU 414 CO 0.00 0.00 0.00 0.45 -0.16 0.00 0.00 177.13 177.42 3i1y s SER 415 N 1.90 4.97 0.00 -1.84 0.15 -1.25 -4.64 113.70 112.99 3i1y s SER 415 Ca 0.00 2.09 0.00 0.00 0.70 0.00 0.00 55.95 58.74 3i1y s SER 415 Cb 0.00 -2.56 0.00 0.00 -1.71 0.00 0.00 66.02 61.75 3i1y s SER 415 CO 0.00 -1.73 0.02 1.33 1.20 0.00 0.00 173.24 174.06 3i1y n VAL 416 N -2.39 0.00 -3.64 4.45 0.24 -1.26 -5.09 118.33 110.64 3i1y n VAL 416 Ca 0.11 -0.04 -0.36 0.00 -2.04 0.00 0.00 64.34 62.01 3i1y n VAL 416 Cb 0.52 1.41 -0.08 0.00 -1.47 0.00 0.00 33.84 34.21 3i1y n VAL 416 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 3i1y s LEU 417 N -0.09 4.18 -0.68 1.34 1.43 -1.26 -4.64 118.68 118.96 3i1y s LEU 417 Ca 0.00 0.27 -0.27 0.00 -1.03 0.00 0.00 54.13 53.10 3i1y s LEU 417 Cb 0.00 -2.18 0.03 0.00 0.03 0.00 0.00 46.19 44.07 3i1y s LEU 417 CO 0.00 0.11 1.22 -0.94 0.23 0.00 0.00 176.35 176.97 3i1y s SER 418 N 0.66 6.26 0.04 2.29 1.04 -1.26 -4.87 113.70 117.85 3i1y s SER 418 Ca 0.10 -0.30 0.24 0.00 0.48 0.00 0.00 55.95 56.47 3i1y s SER 418 Cb -0.12 -2.54 0.25 0.00 0.10 0.00 0.00 66.02 63.70 3i1y s SER 418 CO 0.02 -1.68 1.21 0.80 0.98 0.00 0.00 173.24 174.57 3i1y n MET 419 N 8.91 0.15 -3.80 4.02 1.56 -1.26 -4.71 117.12 121.98 3i1y n MET 419 Ca 0.04 0.01 -0.31 0.00 -0.27 0.00 0.00 57.70 57.17 3i1y n MET 419 Cb 0.49 -1.56 -0.04 0.00 2.15 0.00 0.00 33.22 34.25 3i1y n MET 419 CO 0.00 0.00 0.00 -3.38 -0.73 0.00 0.00 175.97 171.86 3i1y s HIS 420 N -3.10 3.50 -1.08 1.12 -3.43 -1.26 -4.36 115.29 106.68 3i1y s HIS 420 Ca 0.07 0.40 -0.16 0.00 -0.80 0.00 0.00 55.06 54.57 3i1y s HIS 420 Cb 0.16 -1.88 -0.02 0.00 -1.43 0.00 0.00 32.58 29.41 3i1y s HIS 420 CO 0.76 0.52 0.80 1.17 -2.00 0.00 0.00 174.74 175.99 3i1y n LYS 421 N 0.24 -1.40 -0.07 -0.38 4.81 -1.26 -4.96 118.16 115.14 3i1y n LYS 421 Ca -0.04 0.61 -0.05 0.00 -0.87 0.00 0.00 58.31 57.95 3i1y n LYS 421 Cb 0.51 -4.42 -0.02 0.00 0.02 0.00 0.00 35.03 31.13 3i1y n LYS 421 CO 0.00 0.00 0.00 0.28 1.17 0.00 0.00 177.40 178.85 3i1y n VAL 422 N -3.80 1.32 0.22 3.15 0.31 -1.26 -4.05 118.33 114.22 3i1y n VAL 422 Ca -0.09 0.22 -0.15 0.00 -0.01 0.00 0.00 64.34 64.31 3i1y n VAL 422 Cb 0.59 -2.31 -0.07 0.00 -0.91 0.00 0.00 33.84 31.14 3i1y n VAL 422 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3i1y h GLU 424 N -0.65 0.18 -0.29 0.00 4.22 -1.95 -2.47 114.58 113.62 3i1y h GLU 424 Ca -0.03 -0.08 0.00 0.00 0.08 0.00 0.00 59.36 59.34 3i1y h GLU 424 Cb 0.57 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.81 3i1y h GLU 424 CO -0.02 0.53 0.00 0.00 -2.18 0.00 0.00 179.01 177.35 3i1y n ALA 425 N -2.47 2.52 0.00 2.92 0.00 -1.11 -4.94 120.51 117.42 3i1y n ALA 425 Ca -0.01 -0.12 0.00 0.00 0.00 0.00 0.00 53.44 53.30 3i1y n ALA 425 Cb 0.44 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.89 3i1y n ALA 425 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i1y n GLY 426 N 0.46 1.48 0.00 0.00 0.00 -0.93 -4.82 105.19 101.38 3i1y n GLY 426 Ca 0.02 -0.75 0.00 0.00 0.00 0.00 0.00 46.02 45.29 3i1y n GLY 426 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i1y n GLY 427 N 0.00 4.31 0.26 -0.02 0.00 -1.12 -4.53 105.19 104.08 3i1y n GLY 427 Ca 0.00 -1.30 -0.02 0.00 0.00 0.00 0.00 46.02 44.69 3i1y n GLY 427 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3i1y h LEU 428 N 0.00 0.53 -3.94 0.99 7.12 -1.92 -3.10 115.31 114.99 3i1y h LEU 428 Ca 0.00 -0.14 -0.63 0.00 0.13 0.00 0.00 57.88 57.24 3i1y h LEU 428 Cb 0.00 -0.14 -0.35 0.00 -0.53 0.00 0.00 40.66 39.64 3i1y h LEU 428 CO 0.00 0.68 0.18 0.49 -0.13 0.00 0.00 178.44 179.66 3i1y n PHE 429 N -4.20 3.04 0.00 1.25 0.99 -1.26 -4.52 117.46 112.77 3i1y n PHE 429 Ca 0.01 -2.70 0.00 0.00 -0.00 0.00 0.00 57.45 54.76 3i1y n PHE 429 Cb 0.32 -0.98 0.00 0.00 -1.00 0.00 0.00 39.48 37.82 3i1y n PHE 429 CO 0.00 0.00 0.00 0.28 -0.00 0.00 0.00 176.76 177.04 3i1y n VAL 430 N -0.82 0.00 -1.90 -4.37 0.31 -1.17 -2.74 118.33 107.64 3i1y n VAL 430 Ca 0.55 1.22 -0.36 0.00 -0.01 0.00 0.00 64.34 65.74 3i1y n VAL 430 Cb 0.77 -1.81 0.04 0.00 -0.91 0.00 0.00 33.84 31.93 3i1y n VAL 430 CO 0.00 0.00 0.00 0.59 -1.32 0.00 0.00 176.83 176.10 3i1y n ASN 431 N -1.76 6.92 -4.81 4.52 3.02 -1.26 -4.98 115.26 116.91 3i1y n ASN 431 Ca 0.00 -3.80 -0.36 0.00 -0.03 0.00 0.00 54.58 50.39 3i1y n ASN 431 Cb 0.00 -0.90 -0.07 0.00 -0.61 0.00 0.00 39.78 38.20 3i1y n ASN 431 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 3i1y s SER 432 N -1.82 5.95 0.31 6.41 0.15 -1.11 -4.94 113.70 118.65 3i1y s SER 432 Ca 0.54 0.32 -0.30 0.00 0.70 0.00 0.00 55.95 57.22 3i1y s SER 432 Cb 0.45 -1.83 -0.12 0.00 -1.71 0.00 0.00 66.02 62.81 3i1y s SER 432 CO -0.26 0.37 1.54 -0.81 1.20 0.00 0.00 173.24 175.27 3i1y n PRO 433 N 1.85 2.60 0.00 5.44 -0.04 -1.26 -4.86 135.00 138.73 3i1y n PRO 433 Ca -0.18 0.92 0.15 0.00 -0.04 0.00 0.00 63.50 64.35 3i1y n PRO 433 Cb 0.54 -2.67 0.83 0.00 -0.04 0.00 0.00 33.50 32.16 3i1y n PRO 433 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 3i1y n GLU 434 N 1.66 0.94 -3.01 0.54 1.02 -1.26 -3.83 120.64 116.71 3i1y n GLU 434 Ca 0.07 -0.14 -0.24 0.00 -0.02 0.00 0.00 57.16 56.83 3i1y n GLU 434 Cb 0.37 -1.50 -0.03 0.00 -0.02 0.00 0.00 31.44 30.25 3i1y n GLU 434 CO 0.00 0.00 0.00 -0.85 1.18 0.00 0.00 177.13 177.46 3i1y n GLU 435 N -0.91 2.47 -1.73 3.49 -0.00 -1.26 -4.94 120.64 117.76 3i1y n GLU 435 Ca 0.21 -4.34 -0.42 0.00 -0.00 0.00 0.00 57.16 52.60 3i1y n GLU 435 Cb 0.18 -2.05 -0.01 0.00 -0.00 0.00 0.00 31.44 29.56 3i1y n GLU 435 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.13 174.83 3i1y n PRO 436 N -0.08 2.48 -0.58 3.44 -0.02 -1.25 -4.98 135.00 134.02 3i1y n PRO 436 Ca 0.29 0.88 -0.30 0.00 -2.02 0.00 0.00 63.50 62.35 3i1y n PRO 436 Cb 0.49 -2.59 0.21 0.00 -0.02 0.00 0.00 33.50 31.59 3i1y n PRO 436 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 3i1y n SER 437 N 1.48 -0.78 -4.66 2.55 2.88 -1.26 -4.98 113.62 108.85 3i1y n SER 437 Ca 0.06 0.12 -0.40 0.00 -1.33 0.00 0.00 58.87 57.33 3i1y n SER 437 Cb 0.36 -1.36 -0.06 0.00 -0.75 0.00 0.00 64.21 62.40 3i1y n SER 437 CO 0.00 0.00 0.00 -0.22 -1.23 0.00 0.00 175.04 173.59 3i1y s LEU 438 N -6.69 4.14 0.87 2.46 2.96 -1.26 -4.82 118.68 116.34 3i1y s LEU 438 Ca 0.67 0.75 -0.12 0.00 -0.22 0.00 0.00 54.13 55.21 3i1y s LEU 438 Cb -0.24 -2.80 0.10 0.00 0.50 0.00 0.00 46.19 43.75 3i1y s LEU 438 CO 0.62 -0.24 1.05 -0.24 -1.32 0.00 0.00 176.35 176.22 3i1y n SER 439 N 4.99 0.23 0.07 3.68 2.88 -1.26 -4.91 113.62 119.29 3i1y n SER 439 Ca -0.03 0.48 0.13 0.00 -1.33 0.00 0.00 58.87 58.12 3i1y n SER 439 Cb 0.50 -1.44 0.36 0.00 -0.75 0.00 0.00 64.21 62.87 3i1y n SER 439 CO 0.00 0.00 0.00 -2.11 -1.23 0.00 0.00 175.04 171.70 3i1y n ARG 440 N -3.42 0.22 0.17 -1.46 1.85 -1.26 -3.34 116.66 109.42 3i1y n ARG 440 Ca 0.12 0.14 0.04 0.00 -1.00 0.00 0.00 57.85 57.15 3i1y n ARG 440 Cb 0.51 -1.71 0.25 0.00 -1.05 0.00 0.00 32.46 30.46 3i1y n ARG 440 CO 0.00 0.00 0.00 0.52 -0.01 0.00 0.00 177.63 178.14 3i1y h MET 441 N 0.00 0.00 -4.99 2.89 2.86 -1.91 -3.46 114.93 110.32 3i1y h MET 441 Ca 0.00 0.00 -0.39 0.00 -2.06 0.00 0.00 59.70 57.25 3i1y h MET 441 Cb 0.69 0.00 -0.25 0.00 0.06 0.00 0.00 31.60 32.11 3i1y h MET 441 CO 0.00 0.43 -0.78 0.14 1.06 0.00 0.00 176.91 177.77 3i1y s VAL 442 N -3.42 0.87 0.52 -2.22 -7.23 -1.21 -4.96 120.40 102.75 3i1y s VAL 442 Ca 0.01 -0.86 -0.04 0.00 -1.81 0.00 0.00 61.98 59.28 3i1y s VAL 442 Cb 0.10 -0.81 -0.01 0.00 0.56 0.00 0.00 36.38 36.23 3i1y s VAL 442 CO 0.71 -0.04 0.80 0.42 -0.31 0.00 0.00 175.10 176.67 3i1y s THR 443 N -0.81 4.08 0.41 5.32 -4.23 -1.26 -4.52 115.64 114.63 3i1y s THR 443 Ca -0.01 -0.12 0.08 0.00 -1.18 0.00 0.00 61.69 60.47 3i1y s THR 443 Cb -0.07 -3.57 0.27 0.00 1.34 0.00 0.00 72.50 70.48 3i1y s THR 443 CO 0.01 -0.52 2.05 -0.08 -0.54 0.00 0.00 174.62 175.54 3i1y h GLU 444 N 0.11 0.52 -0.05 3.99 4.57 -2.00 -2.77 114.58 118.95 3i1y h GLU 444 Ca -0.46 -0.03 -0.00 0.00 -1.18 0.00 0.00 59.36 57.69 3i1y h GLU 444 Cb 1.24 -0.12 -0.00 0.00 -0.16 0.00 0.00 28.75 29.71 3i1y h GLU 444 CO 0.60 0.35 0.03 0.93 -1.18 0.00 0.00 179.01 179.73 3i1y h GLU 445 N 0.54 0.07 -0.69 1.92 3.07 -1.99 -1.88 114.58 115.62 3i1y h GLU 445 Ca 0.17 -0.01 0.01 0.00 -0.50 0.00 0.00 59.36 59.03 3i1y h GLU 445 Cb 0.01 -0.01 -0.03 0.00 -0.84 0.00 0.00 28.75 27.87 3i1y h GLU 445 CO -0.04 0.16 0.46 0.93 -1.40 0.00 0.00 179.01 179.12 3i1y h GLU 446 N -0.03 0.90 -0.65 2.33 5.08 -1.89 -1.77 114.58 118.55 3i1y h GLU 446 Ca 0.02 -0.05 -0.09 0.00 -1.00 0.00 0.00 59.36 58.24 3i1y h GLU 446 Cb 0.11 -0.20 -0.02 0.00 0.50 0.00 0.00 28.75 29.14 3i1y h GLU 446 CO -0.00 0.59 0.07 0.82 -1.00 0.00 0.00 179.01 179.50 3i1y h ILE 447 N 0.93 1.26 0.00 3.13 1.08 -1.28 -2.67 117.51 119.96 3i1y h ILE 447 Ca 0.26 -1.08 -0.03 0.00 -0.39 0.00 0.00 64.86 63.62 3i1y h ILE 447 Cb -0.09 0.69 -0.00 0.00 -3.07 0.00 0.00 36.82 34.35 3i1y h ILE 447 CO -0.06 0.40 -0.12 1.56 -0.69 0.00 0.00 178.15 179.24 3i1y h GLN 448 N 1.02 0.00 -0.02 2.37 1.08 -0.53 -1.50 115.11 117.52 3i1y h GLN 448 Ca 0.19 0.00 -0.00 0.00 -1.45 0.00 0.00 58.65 57.39 3i1y h GLN 448 Cb 0.48 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 27.91 3i1y h GLN 448 CO 0.02 0.12 -0.00 0.35 -0.95 0.00 0.00 178.83 178.37 3i1y h PHE 449 N 0.00 0.04 -0.36 2.96 3.57 -1.01 -1.54 116.94 120.61 3i1y h PHE 449 Ca -0.00 -0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.47 3i1y h PHE 449 Cb 0.51 -0.01 -0.02 0.00 2.79 0.00 0.00 35.95 39.22 3i1y h PHE 449 CO 0.00 0.39 0.14 1.88 -2.23 0.00 0.00 178.31 178.49 3i1y h TYR 450 N -0.32 0.50 0.00 0.41 -1.99 -1.35 -1.31 116.97 112.92 3i1y h TYR 450 Ca 0.01 -0.02 -0.00 0.00 2.00 0.00 0.00 58.73 60.72 3i1y h TYR 450 Cb 0.38 -0.16 0.00 0.00 2.00 0.00 0.00 36.73 38.95 3i1y h TYR 450 CO 0.05 0.41 -0.00 0.28 -0.00 0.00 0.00 178.16 178.90 3i1y h VAL 451 N 0.51 1.12 -0.51 -2.88 2.07 -1.13 -1.32 116.25 114.10 3i1y h VAL 451 Ca 0.13 -0.35 -0.08 0.00 0.82 0.00 0.00 66.70 67.22 3i1y h VAL 451 Cb 0.12 1.35 -0.02 0.00 -1.52 0.00 0.00 31.29 31.22 3i1y h VAL 451 CO -0.01 0.09 0.01 0.06 0.02 0.00 0.00 177.57 177.74 3i1y h GLN 452 N -0.15 0.86 -0.12 1.57 3.07 -1.04 -2.61 115.11 116.68 3i1y h GLN 452 Ca -0.00 -0.24 0.00 0.00 0.09 0.00 0.00 58.65 58.50 3i1y h GLN 452 Cb 0.15 -0.10 -0.01 0.00 0.08 0.00 0.00 27.48 27.61 3i1y h GLN 452 CO 0.00 0.85 0.08 1.96 0.09 0.00 0.00 178.83 181.81 3i1y h GLN 453 N 0.80 0.16 0.00 0.06 1.08 -1.07 -2.85 115.11 113.29 3i1y h GLN 453 Ca 0.15 -0.01 0.00 0.00 -1.45 0.00 0.00 58.65 57.34 3i1y h GLN 453 Cb 0.47 -0.04 0.00 0.00 -0.05 0.00 0.00 27.48 27.86 3i1y h GLN 453 CO 0.02 0.12 0.00 1.19 -0.95 0.00 0.00 178.83 179.21 3i1y n PHE 454 N -5.00 0.07 0.40 2.96 3.01 -0.51 -2.41 117.46 115.98 3i1y n PHE 454 Ca -0.05 0.02 0.10 0.00 1.01 0.00 0.00 57.45 58.54 3i1y n PHE 454 Cb 0.03 -0.54 0.44 0.00 -0.01 0.00 0.00 39.48 39.40 3i1y n PHE 454 CO 0.00 0.00 0.00 1.63 1.01 0.00 0.00 176.76 179.40 3i1y n LYS 455 N -1.56 0.14 -0.06 -1.08 5.02 -1.00 -1.29 118.16 118.34 3i1y n LYS 455 Ca 0.05 0.39 -0.10 0.00 -2.02 0.00 0.00 58.31 56.63 3i1y n LYS 455 Cb 0.25 -1.77 -0.10 0.00 -0.02 0.00 0.00 35.03 33.40 3i1y n LYS 455 CO 0.00 0.00 0.00 -0.22 -0.52 0.00 0.00 177.40 176.66 3i1y h LYS 456 N 0.00 -0.01 0.00 1.97 3.64 -1.61 -3.42 116.57 117.14 3i1y h LYS 456 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 3i1y h LYS 456 Cb 0.31 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.13 3i1y h LYS 456 CO 0.00 0.70 -0.27 0.43 -2.27 0.00 0.00 179.45 178.04 3i1y n SER 457 N -4.68 1.37 0.00 4.20 7.64 -1.24 -5.12 113.62 115.79 3i1y n SER 457 Ca -0.07 -0.30 0.00 0.00 1.01 0.00 0.00 58.87 59.50 3i1y n SER 457 Cb 0.35 0.88 0.00 0.00 -1.01 0.00 0.00 64.21 64.42 3i1y n SER 457 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3i1y n GLY 458 N 1.29 0.35 0.20 0.23 0.00 -0.41 -4.34 105.19 102.50 3i1y n GLY 458 Ca 0.00 -0.91 0.04 0.00 0.00 0.00 0.00 46.02 45.16 3i1y n GLY 458 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3i1y n PHE 459 N 3.76 0.00 0.16 1.61 3.01 -1.26 -4.68 117.46 120.06 3i1y n PHE 459 Ca 0.00 0.00 -0.15 0.00 1.01 0.00 0.00 57.45 58.31 3i1y n PHE 459 Cb 0.00 0.00 -0.07 0.00 -0.01 0.00 0.00 39.48 39.40 3i1y n PHE 459 CO 0.00 0.00 0.00 -0.09 1.01 0.00 0.00 176.76 177.68 3i1y h ARG 460 N 0.99 -0.66 0.13 -1.08 2.43 -1.94 0.12 114.38 114.37 3i1y h ARG 460 Ca 0.00 0.04 0.02 0.00 -0.81 0.00 0.00 59.98 59.23 3i1y h ARG 460 Cb 0.30 0.15 -0.04 0.00 -0.42 0.00 0.00 29.97 29.96 3i1y h ARG 460 CO 0.00 -0.44 -0.30 0.78 -1.51 0.00 0.00 179.97 178.51 3i1y h GLY 461 N -0.68 -0.56 0.22 2.80 0.00 -1.83 -0.05 103.07 102.97 3i1y h GLY 461 Ca 0.01 0.35 0.09 0.00 0.00 0.00 0.00 47.33 47.78 3i1y h GLY 461 CO -0.17 -0.24 0.01 -2.55 0.00 0.00 0.00 176.54 173.58 3i1y h PRO 462 N -0.52 0.12 0.00 4.80 0.11 -1.72 -1.93 132.00 132.86 3i1y h PRO 462 Ca 0.03 -0.01 -0.05 0.00 0.11 0.00 0.00 66.00 66.08 3i1y h PRO 462 Cb 0.54 -0.03 -0.01 0.00 0.11 0.00 0.00 31.00 31.62 3i1y h PRO 462 CO -0.17 0.08 -0.26 -0.07 -0.21 0.00 0.00 178.00 177.37 3i1y h LEU 463 N 0.12 0.00 -2.62 2.35 3.38 -0.45 -2.42 115.31 115.67 3i1y h LEU 463 Ca 0.24 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.21 3i1y h LEU 463 Cb 0.36 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.10 3i1y h LEU 463 CO -0.39 0.26 -0.00 0.78 0.09 0.00 0.00 178.44 179.17 3i1y h ASN 464 N 0.00 0.00 0.03 -0.43 2.35 -0.17 0.73 115.58 118.09 3i1y h ASN 464 Ca -0.00 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.74 3i1y h ASN 464 Cb 0.53 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.90 3i1y h ASN 464 CO 0.03 0.00 -0.03 -0.50 -1.65 0.00 0.00 177.43 175.29 3i1y h TRP 465 N 0.00 0.00 0.00 1.19 4.06 -1.43 -1.91 115.95 117.86 3i1y h TRP 465 Ca -0.00 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.95 3i1y h TRP 465 Cb 0.12 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.28 3i1y h TRP 465 CO 0.00 0.03 -0.24 0.66 -3.56 0.00 0.00 178.44 175.33 3i1y n TYR 466 N -4.42 0.04 -1.09 0.49 4.01 0.25 -4.21 117.16 112.23 3i1y n TYR 466 Ca -0.03 0.01 -0.00 0.00 -0.16 0.00 0.00 57.90 57.72 3i1y n TYR 466 Cb 0.11 -0.40 0.28 0.00 -0.31 0.00 0.00 39.34 39.02 3i1y n TYR 466 CO 0.00 0.00 0.00 0.54 -0.46 0.00 0.00 176.86 176.94 3i1y n ARG 467 N -1.54 3.28 -0.85 -0.72 1.74 -0.72 -4.30 116.66 113.56 3i1y n ARG 467 Ca 0.06 -3.04 0.05 0.00 -0.77 0.00 0.00 57.85 54.16 3i1y n ARG 467 Cb 0.34 -2.05 0.15 0.00 -1.02 0.00 0.00 32.46 29.89 3i1y n ARG 467 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 3i1y n ASN 468 N -0.36 1.50 -0.03 0.55 3.02 -1.26 -4.89 115.26 113.79 3i1y n ASN 468 Ca 0.33 -3.33 -0.08 0.00 -0.03 0.00 0.00 54.58 51.46 3i1y n ASN 468 Cb 1.17 -0.46 -0.02 0.00 -0.61 0.00 0.00 39.78 39.86 3i1y n ASN 468 CO 0.00 0.00 0.00 0.24 -2.62 0.00 0.00 177.26 174.88 3i1y h MET 469 N 0.98 -0.16 -0.22 3.52 2.86 -1.88 0.22 114.93 120.25 3i1y h MET 469 Ca -0.07 0.01 -0.08 0.00 -2.06 0.00 0.00 59.70 57.50 3i1y h MET 469 Cb 1.26 0.04 -0.01 0.00 0.06 0.00 0.00 31.60 32.95 3i1y h MET 469 CO 0.03 -0.11 -0.23 1.49 1.06 0.00 0.00 176.91 179.15 3i1y h GLU 470 N -0.17 0.40 -0.05 1.72 4.57 -1.95 -0.34 114.58 118.76 3i1y h GLU 470 Ca 0.12 -0.14 -0.01 0.00 -1.18 0.00 0.00 59.36 58.15 3i1y h GLU 470 Cb 0.34 -0.03 -0.00 0.00 -0.16 0.00 0.00 28.75 28.90 3i1y h GLU 470 CO -0.29 0.61 -0.02 0.00 -1.18 0.00 0.00 179.01 178.12 3i1y h ARG 471 N 0.36 0.10 -0.91 1.92 3.08 -1.77 -2.49 114.38 114.66 3i1y h ARG 471 Ca 0.06 -0.04 -0.01 0.00 0.07 0.00 0.00 59.98 60.05 3i1y h ARG 471 Cb 0.60 -0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.61 3i1y h ARG 471 CO 0.04 0.48 0.53 -0.91 -1.07 0.00 0.00 179.97 179.04 3i1y h ASN 472 N -0.28 1.11 -0.14 7.04 2.35 -0.46 -1.90 115.58 123.30 3i1y h ASN 472 Ca 0.01 -0.08 -0.00 0.00 -0.55 0.00 0.00 56.30 55.68 3i1y h ASN 472 Cb 0.45 -0.28 -0.01 0.00 0.05 0.00 0.00 38.32 38.53 3i1y h ASN 472 CO 0.01 0.86 0.08 -0.25 -1.65 0.00 0.00 177.43 176.48 3i1y h TRP 473 N 1.26 0.18 -0.62 1.19 7.01 -1.06 0.15 115.95 124.06 3i1y h TRP 473 Ca 0.33 -0.00 0.03 0.00 2.11 0.00 0.00 58.89 61.35 3i1y h TRP 473 Cb -0.03 -0.06 -0.04 0.00 -2.10 0.00 0.00 29.16 26.94 3i1y h TRP 473 CO 0.01 0.18 0.38 0.87 -2.79 0.00 0.00 178.44 177.09 3i1y h LYS 474 N 0.13 0.73 -0.11 2.65 1.57 -1.22 -1.38 116.57 118.95 3i1y h LYS 474 Ca 0.05 -0.04 -0.01 0.00 -1.87 0.00 0.00 60.65 58.77 3i1y h LYS 474 Cb 0.05 -0.17 -0.00 0.00 0.08 0.00 0.00 32.23 32.19 3i1y h LYS 474 CO -0.01 0.49 0.01 2.35 -0.57 0.00 0.00 179.45 181.72 3i1y h TRP 475 N 0.76 0.19 -0.99 -1.35 7.01 -1.09 -3.06 115.95 117.42 3i1y h TRP 475 Ca 0.25 -0.03 0.07 0.00 2.11 0.00 0.00 58.89 61.29 3i1y h TRP 475 Cb 0.02 -0.05 -0.07 0.00 -2.10 0.00 0.00 29.16 26.96 3i1y h TRP 475 CO -0.05 0.40 0.63 0.00 -2.79 0.00 0.00 178.44 176.63 3i1y h ALA 476 N 0.77 1.37 -0.12 2.65 0.00 -0.53 -1.98 119.26 121.42 3i1y h ALA 476 Ca 0.03 -0.02 0.03 0.00 0.00 0.00 0.00 54.91 54.96 3i1y h ALA 476 Cb 0.32 -0.29 -0.00 0.00 0.00 0.00 0.00 17.79 17.81 3i1y h ALA 476 CO 0.00 0.41 0.34 0.00 0.00 0.00 0.00 179.25 180.00 3i1y h LYS 478 N 0.00 0.00 -0.36 0.00 1.57 -1.44 -3.07 116.57 113.27 3i1y h LYS 478 Ca 0.06 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.84 3i1y h LYS 478 Cb 0.73 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.04 3i1y h LYS 478 CO -0.00 0.44 0.00 -1.13 -0.57 0.00 0.00 179.45 178.19 3i1y n SER 479 N -3.99 2.41 0.17 0.86 3.41 0.73 -4.36 113.62 112.85 3i1y n SER 479 Ca -0.02 -1.90 0.13 0.00 -0.26 0.00 0.00 58.87 56.82 3i1y n SER 479 Cb 0.47 -0.23 0.62 0.00 -0.26 0.00 0.00 64.21 64.80 3i1y n SER 479 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 3i1y h LEU 480 N 2.90 0.00 -0.48 1.04 3.38 -1.58 -0.09 115.31 120.47 3i1y h LEU 480 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3i1y h LEU 480 Cb 0.65 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.40 3i1y h LEU 480 CO 0.00 0.00 -0.44 0.61 0.09 0.00 0.00 178.44 178.70 3i1y n GLY 481 N -0.72 -0.59 3.94 0.83 0.00 -1.26 -4.98 105.19 102.41 3i1y n GLY 481 Ca -0.00 -0.48 -0.24 0.00 0.00 0.00 0.00 46.02 45.30 3i1y n GLY 481 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3i1y s ARG 482 N -2.64 3.41 0.16 1.61 0.52 -0.05 -5.12 118.95 116.84 3i1y s ARG 482 Ca 0.19 -0.33 0.09 0.00 -0.52 0.00 0.00 55.73 55.15 3i1y s ARG 482 Cb 0.18 -2.62 -0.04 0.00 0.52 0.00 0.00 34.95 32.99 3i1y s ARG 482 CO 0.61 0.04 -0.19 0.15 0.02 0.00 0.00 175.30 175.93 3i1y s LYS 483 N -4.39 1.28 -0.35 3.54 1.02 -1.26 -5.01 119.74 114.57 3i1y s LYS 483 Ca 0.42 -1.40 -0.19 0.00 0.02 0.00 0.00 55.97 54.82 3i1y s LYS 483 Cb -0.10 -1.36 -0.00 0.00 -0.52 0.00 0.00 37.83 35.85 3i1y s LYS 483 CO 0.37 0.28 0.58 0.42 -0.92 0.00 0.00 175.35 176.08 3i1y s ILE 484 N -1.97 4.95 0.00 2.17 1.01 -0.60 -4.90 121.20 121.86 3i1y s ILE 484 Ca 0.15 0.52 0.00 0.00 0.00 0.00 0.00 60.65 61.32 3i1y s ILE 484 Cb -0.06 -4.02 0.00 0.00 0.01 0.00 0.00 42.46 38.39 3i1y s ILE 484 CO 0.07 -0.25 0.59 0.18 0.00 0.00 0.00 174.94 175.53 3i1y n LEU 485 N 5.90 1.12 -4.89 2.97 4.77 -1.26 -4.24 117.00 121.36 3i1y n LEU 485 Ca -0.03 -1.12 -0.29 0.00 -0.03 0.00 0.00 56.01 54.54 3i1y n LEU 485 Cb 0.49 0.00 0.04 0.00 -2.33 0.00 0.00 43.42 41.61 3i1y n LEU 485 CO 0.47 0.28 0.66 0.27 -1.33 0.00 0.00 177.39 177.74 3i1y s ILE 486 N -0.29 3.70 0.13 -0.08 -4.36 -1.26 -4.99 121.20 114.05 3i1y s ILE 486 Ca 0.00 0.34 -0.35 0.00 -0.26 0.00 0.00 60.65 60.38 3i1y s ILE 486 Cb 0.00 -3.52 -0.15 0.00 1.25 0.00 0.00 42.46 40.05 3i1y s ILE 486 CO 0.00 -0.62 1.49 -2.65 0.24 0.00 0.00 174.94 173.40 3i1y n PRO 487 N -2.82 1.79 -3.81 0.37 -0.02 -1.26 -4.88 135.00 124.38 3i1y n PRO 487 Ca 0.06 0.65 -0.13 0.00 -2.02 0.00 0.00 63.50 62.06 3i1y n PRO 487 Cb 0.57 -2.37 -0.13 0.00 -0.02 0.00 0.00 33.50 31.55 3i1y n PRO 487 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3i1y s ALA 488 N 0.78 -0.40 -0.04 3.55 0.00 -1.26 -1.44 121.76 122.95 3i1y s ALA 488 Ca 0.81 0.51 0.00 0.00 0.00 0.00 0.00 51.96 53.28 3i1y s ALA 488 Cb -0.78 -0.30 0.03 0.00 0.00 0.00 0.00 23.12 22.07 3i1y s ALA 488 CO 0.41 -0.09 -0.00 -1.17 0.00 0.00 0.00 175.76 174.91 3i1y s LEU 489 N 0.22 1.08 -0.15 0.00 1.98 -0.05 -1.19 118.68 120.57 3i1y s LEU 489 Ca -0.01 -0.04 -0.02 0.00 -2.89 0.00 0.00 54.13 51.17 3i1y s LEU 489 Cb -0.02 -0.28 -0.02 0.00 0.66 0.00 0.00 46.19 46.53 3i1y s LEU 489 CO -0.01 -0.11 -0.10 -0.32 -1.89 0.00 0.00 176.35 173.93 3i1y s MET 490 N 1.16 3.46 -0.18 1.98 -2.45 -0.23 -1.49 119.30 121.56 3i1y s MET 490 Ca -0.08 -0.63 0.01 0.00 -1.25 0.00 0.00 55.69 53.73 3i1y s MET 490 Cb -0.13 -2.75 0.01 0.00 1.25 0.00 0.00 34.83 33.20 3i1y s MET 490 CO -0.02 0.17 -0.18 0.08 1.05 0.00 0.00 175.02 176.12 3i1y s VAL 491 N 0.50 2.30 0.05 10.11 1.01 -0.34 -0.73 120.40 133.31 3i1y s VAL 491 Ca -0.07 -0.87 0.01 0.00 0.00 0.00 0.00 61.98 61.05 3i1y s VAL 491 Cb -0.15 -1.97 -0.04 0.00 0.00 0.00 0.00 36.38 34.22 3i1y s VAL 491 CO 0.04 0.52 0.14 0.42 0.00 0.00 0.00 175.10 176.22 3i1y s THR 492 N 1.19 4.99 -0.23 3.92 -4.23 -0.15 0.06 115.64 121.19 3i1y s THR 492 Ca 0.02 -0.50 -0.00 0.00 -1.18 0.00 0.00 61.69 60.03 3i1y s THR 492 Cb -0.14 -3.39 0.03 0.00 1.34 0.00 0.00 72.50 70.34 3i1y s THR 492 CO -0.08 0.19 -0.11 0.00 -0.54 0.00 0.00 174.62 174.08 3i1y s ALA 493 N -1.40 2.58 0.21 3.99 0.00 -1.26 -1.06 121.76 124.82 3i1y s ALA 493 Ca 0.30 -1.45 -0.18 0.00 0.00 0.00 0.00 51.96 50.63 3i1y s ALA 493 Cb -0.13 -1.54 0.19 0.00 0.00 0.00 0.00 23.12 21.65 3i1y s ALA 493 CO 0.23 -0.75 1.58 1.49 0.00 0.00 0.00 175.76 178.30 3i1y h GLU 494 N 7.95 -0.09 -0.66 0.00 4.81 -1.45 -1.89 114.58 123.25 3i1y h GLU 494 Ca -0.34 0.01 0.00 0.00 -0.13 0.00 0.00 59.36 58.90 3i1y h GLU 494 Cb 1.10 0.02 0.00 0.00 0.63 0.00 0.00 28.75 30.51 3i1y h GLU 494 CO 0.57 -0.06 0.00 1.63 -0.73 0.00 0.00 179.01 180.42 3i1y n LYS 495 N -5.46 3.33 -2.58 1.92 4.76 0.36 -4.77 118.16 115.73 3i1y n LYS 495 Ca 0.07 -2.11 -0.43 0.00 -2.87 0.00 0.00 58.31 52.97 3i1y n LYS 495 Cb 0.38 -1.87 -0.02 0.00 -1.84 0.00 0.00 35.03 31.67 3i1y n LYS 495 CO 0.00 0.00 0.00 0.34 -1.37 0.00 0.00 177.40 176.37 3i1y s ASP 496 N -0.66 6.55 0.00 4.39 -1.08 -0.71 -4.51 116.67 120.65 3i1y s ASP 496 Ca 0.37 0.36 0.22 0.00 -0.52 0.00 0.00 52.55 52.98 3i1y s ASP 496 Cb 0.26 -2.55 0.69 0.00 -1.46 0.00 0.00 42.92 39.86 3i1y s ASP 496 CO 0.14 -1.34 1.52 0.49 0.52 0.00 0.00 175.17 176.50 3i1y n PHE 497 N 8.11 0.24 0.00 -5.34 0.99 -1.26 -3.22 117.46 116.98 3i1y n PHE 497 Ca 0.11 -0.12 0.00 0.00 -0.00 0.00 0.00 57.45 57.44 3i1y n PHE 497 Cb 0.49 0.00 0.00 0.00 -1.00 0.00 0.00 39.48 38.97 3i1y n PHE 497 CO 0.00 0.00 0.00 1.55 -0.00 0.00 0.00 176.76 178.31 3i1y n VAL 498 N 0.57 0.00 -2.50 -4.37 3.14 -1.26 -4.77 118.33 109.14 3i1y n VAL 498 Ca 0.17 0.00 -0.43 0.00 -2.96 0.00 0.00 64.34 61.12 3i1y n VAL 498 Cb 0.39 -1.08 0.01 0.00 -1.06 0.00 0.00 33.84 32.10 3i1y n VAL 498 CO 0.00 0.00 0.00 0.18 -6.46 0.00 0.00 176.83 170.55 3i1y n LEU 499 N -2.77 6.58 -4.75 6.55 4.77 -1.26 -5.01 117.00 121.10 3i1y n LEU 499 Ca 0.00 -4.77 -0.40 0.00 -0.03 0.00 0.00 56.01 50.81 3i1y n LEU 499 Cb 0.48 -1.44 -0.05 0.00 -2.33 0.00 0.00 43.42 40.08 3i1y n LEU 499 CO 0.00 1.44 0.70 -0.69 -1.33 0.00 0.00 177.39 177.51 3i1y s VAL 500 N -0.30 3.89 0.36 4.08 1.01 -1.20 -4.69 120.40 123.55 3i1y s VAL 500 Ca 0.38 1.89 0.18 0.00 0.00 0.00 0.00 61.98 64.42 3i1y s VAL 500 Cb 0.08 -4.20 0.36 0.00 0.00 0.00 0.00 36.38 32.62 3i1y s VAL 500 CO 0.03 0.45 1.67 -0.65 0.00 0.00 0.00 175.10 176.59 3i1y h PRO 501 N 4.09 0.29 0.00 2.72 0.11 -1.80 -0.57 132.00 136.83 3i1y h PRO 501 Ca -0.45 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 65.62 3i1y h PRO 501 Cb 1.20 -0.06 -0.00 0.00 0.11 0.00 0.00 31.00 32.25 3i1y h PRO 501 CO 0.68 0.19 -0.07 -0.56 -0.21 0.00 0.00 178.00 178.03 3i1y h GLN 502 N 0.29 0.00 0.00 1.05 3.07 -1.97 -2.01 115.11 115.54 3i1y h GLN 502 Ca 0.73 0.00 -0.01 0.00 0.09 0.00 0.00 58.65 59.47 3i1y h GLN 502 Cb 1.80 0.00 -0.00 0.00 0.08 0.00 0.00 27.48 29.36 3i1y h GLN 502 CO -0.54 0.07 -0.03 0.52 0.09 0.00 0.00 178.83 178.93 3i1y h MET 503 N 0.00 0.00 -0.01 0.06 2.86 -1.48 -2.33 114.93 114.03 3i1y h MET 503 Ca -0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 3i1y h MET 503 Cb 0.17 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.83 3i1y h MET 503 CO 0.01 0.03 -0.08 -1.13 1.06 0.00 0.00 176.91 176.80 3i1y n SER 504 N -3.31 1.46 0.26 1.22 3.41 -0.76 -4.52 113.62 111.38 3i1y n SER 504 Ca -0.02 -1.35 0.17 0.00 -0.26 0.00 0.00 58.87 57.42 3i1y n SER 504 Cb 0.17 0.05 0.91 0.00 -0.26 0.00 0.00 64.21 65.08 3i1y n SER 504 CO 0.00 0.00 0.00 0.06 -0.16 0.00 0.00 175.04 174.94 3i1y h GLN 505 N 2.15 0.00 -0.14 4.33 3.07 -1.55 -1.65 115.11 121.31 3i1y h GLN 505 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.74 3i1y h GLN 505 Cb 0.54 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.10 3i1y h GLN 505 CO 0.00 0.00 0.00 0.72 0.09 0.00 0.00 178.83 179.64 3i1y n HIS 506 N -3.62 0.16 0.17 0.06 8.25 -1.26 -4.59 115.22 114.39 3i1y n HIS 506 Ca -0.00 -0.09 0.15 0.00 -0.26 0.00 0.00 57.72 57.52 3i1y n HIS 506 Cb 0.24 -0.00 0.74 0.00 1.12 0.00 0.00 29.99 32.08 3i1y n HIS 506 CO 0.00 0.00 0.00 0.52 0.64 0.00 0.00 176.34 177.50 3i1y h MET 507 N 4.21 0.00 -0.96 -0.41 2.86 -1.58 -2.00 114.93 117.05 3i1y h MET 507 Ca 0.00 0.00 0.14 0.00 -2.06 0.00 0.00 59.70 57.78 3i1y h MET 507 Cb 0.91 0.00 -0.08 0.00 0.06 0.00 0.00 31.60 32.49 3i1y h MET 507 CO 0.00 0.00 0.61 0.93 1.06 0.00 0.00 176.91 179.51 3i1y h GLU 508 N 0.00 0.79 -0.79 1.72 4.39 -1.81 0.18 114.58 119.06 3i1y h GLU 508 Ca 0.10 -0.05 0.11 0.00 0.34 0.00 0.00 59.36 59.86 3i1y h GLU 508 Cb 0.44 -0.18 -0.06 0.00 -0.10 0.00 0.00 28.75 28.85 3i1y h GLU 508 CO -0.00 0.53 0.52 -0.44 -1.16 0.00 0.00 179.01 178.45 3i1y h ASP 509 N 0.82 0.62 0.13 1.42 3.45 -1.73 -2.69 116.42 118.44 3i1y h ASP 509 Ca 0.49 0.02 -0.16 0.00 0.43 0.00 0.00 57.03 57.81 3i1y h ASP 509 Cb 0.68 -0.11 -0.03 0.00 -0.56 0.00 0.00 39.33 39.31 3i1y h ASP 509 CO -0.26 0.36 -2.03 0.79 -1.57 0.00 0.00 179.24 176.53 3i1y n TRP 510 N -4.51 0.17 -3.62 4.55 7.02 -0.25 -4.69 117.44 116.11 3i1y n TRP 510 Ca 0.14 0.06 -0.28 0.00 -1.02 0.00 0.00 57.50 56.39 3i1y n TRP 510 Cb 0.37 -0.79 -0.11 0.00 -2.42 0.00 0.00 31.31 28.36 3i1y n TRP 510 CO 0.00 0.00 0.00 0.42 -2.02 0.00 0.00 177.69 176.09 3i1y s ILE 511 N -3.04 1.32 0.22 -0.99 1.01 0.46 -1.56 121.20 118.62 3i1y s ILE 511 Ca -0.08 -3.06 -0.08 0.00 0.00 0.00 0.00 60.65 57.43 3i1y s ILE 511 Cb 0.10 -1.90 0.17 0.00 0.01 0.00 0.00 42.46 40.84 3i1y s ILE 511 CO 0.86 -1.08 1.82 -0.65 0.00 0.00 0.00 174.94 175.89 3i1y h PRO 512 N 5.88 0.75 -0.69 2.79 0.11 -1.66 -1.73 132.00 137.44 3i1y h PRO 512 Ca 0.16 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 66.22 3i1y h PRO 512 Cb 0.87 -0.17 0.00 0.00 0.11 0.00 0.00 31.00 31.81 3i1y h PRO 512 CO 0.49 0.49 0.00 0.72 -0.21 0.00 0.00 178.00 179.50 3i1y n HIS 513 N -4.74 1.45 -1.68 0.65 8.25 -1.26 -4.96 115.22 112.93 3i1y n HIS 513 Ca 0.10 -0.51 -0.48 0.00 -0.26 0.00 0.00 57.72 56.57 3i1y n HIS 513 Cb 0.19 -0.38 -0.05 0.00 1.12 0.00 0.00 29.99 30.88 3i1y n HIS 513 CO 0.00 0.00 0.00 -0.11 0.64 0.00 0.00 176.34 176.87 3i1y n LEU 514 N 0.48 3.33 -4.89 2.41 -0.00 -0.65 -4.71 117.00 112.97 3i1y n LEU 514 Ca 0.20 1.00 -0.30 0.00 -0.00 0.00 0.00 56.01 56.90 3i1y n LEU 514 Cb 0.90 -1.37 -0.04 0.00 -0.00 0.00 0.00 43.42 42.91 3i1y n LEU 514 CO 0.23 -0.12 0.26 -0.54 -0.00 0.00 0.00 177.39 177.22 3i1y s LYS 515 N 3.41 3.73 0.17 1.96 1.02 -0.33 -4.98 119.74 124.72 3i1y s LYS 515 Ca 0.90 0.22 0.07 0.00 0.02 0.00 0.00 55.97 57.18 3i1y s LYS 515 Cb -0.70 -2.59 -0.04 0.00 -0.52 0.00 0.00 37.83 33.98 3i1y s LYS 515 CO 0.49 0.20 -0.14 1.03 -0.92 0.00 0.00 175.35 176.01 3i1y s ARG 516 N -3.34 1.21 0.05 1.68 0.52 -1.26 -1.06 118.95 116.75 3i1y s ARG 516 Ca 0.47 -1.46 -0.08 0.00 -0.52 0.00 0.00 55.73 54.14 3i1y s ARG 516 Cb -0.11 -1.02 -0.00 0.00 0.52 0.00 0.00 34.95 34.34 3i1y s ARG 516 CO 0.27 0.18 0.15 0.20 0.02 0.00 0.00 175.30 176.11 3i1y s GLY 517 N -3.01 0.12 -0.06 -3.53 0.00 0.10 -4.91 107.32 96.02 3i1y s GLY 517 Ca 0.18 -0.51 -0.12 0.00 0.00 0.00 0.00 44.72 44.27 3i1y s GLY 517 CO 0.05 -0.67 0.29 -1.58 0.00 0.00 0.00 173.10 171.19 3i1y s HIS 518 N -3.00 -0.23 -0.10 1.90 5.04 -1.26 -0.98 115.29 116.67 3i1y s HIS 518 Ca -0.02 0.48 0.02 0.00 -1.54 0.00 0.00 55.06 54.00 3i1y s HIS 518 Cb 0.01 0.09 0.02 0.00 0.04 0.00 0.00 32.58 32.73 3i1y s HIS 518 CO -0.06 -0.27 -0.14 0.42 -2.34 0.00 0.00 174.74 172.35 3i1y s ILE 519 N -0.63 1.37 0.37 0.89 1.01 -0.23 -4.94 121.20 119.04 3i1y s ILE 519 Ca -0.07 -0.57 -0.26 0.00 0.00 0.00 0.00 60.65 59.75 3i1y s ILE 519 Cb -0.04 -1.26 -0.09 0.00 0.01 0.00 0.00 42.46 41.08 3i1y s ILE 519 CO 0.02 0.41 1.11 -1.61 0.00 0.00 0.00 174.94 174.88 3i1y s GLU 520 N 0.99 4.23 -1.03 2.79 0.41 -1.26 -2.01 118.70 122.82 3i1y s GLU 520 Ca -0.07 1.72 -0.02 0.00 -0.41 0.00 0.00 54.97 56.18 3i1y s GLU 520 Cb -0.15 -2.75 0.02 0.00 -1.78 0.00 0.00 34.13 29.47 3i1y s GLU 520 CO -0.01 -0.13 0.13 -3.47 -0.49 0.00 0.00 175.26 171.29 3i1y n ASP 521 N 0.28 -3.68 -4.66 -0.19 2.03 -1.26 -4.90 116.55 104.17 3i1y n ASP 521 Ca 0.03 0.07 -0.35 0.00 0.52 0.00 0.00 54.79 55.07 3i1y n ASP 521 Cb 0.47 -3.11 -0.09 0.00 -0.72 0.00 0.00 41.12 37.67 3i1y n ASP 521 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3i1y n GLY 523 N 3.57 0.61 0.13 0.00 0.00 -1.26 -0.49 105.19 107.74 3i1y n GLY 523 Ca -0.16 -1.53 0.04 0.00 0.00 0.00 0.00 46.02 44.36 3i1y n GLY 523 CO 0.00 0.00 0.00 0.84 0.00 0.00 0.00 173.32 174.16 3i1y h HIS 524 N 0.00 0.00 -1.52 1.61 -0.00 -1.88 -3.38 115.15 109.98 3i1y h HIS 524 Ca 0.00 0.00 -0.76 0.00 -0.00 0.00 0.00 60.37 59.61 3i1y h HIS 524 Cb 0.00 0.00 -0.17 0.00 -0.00 0.00 0.00 27.41 27.24 3i1y h HIS 524 CO 0.00 0.40 1.98 0.91 -0.00 0.00 0.00 177.93 181.23 3i1y n TRP 525 N -3.01 2.66 -0.25 5.26 7.02 -1.26 -4.85 117.44 123.02 3i1y n TRP 525 Ca -0.02 -2.75 0.05 0.00 -1.02 0.00 0.00 57.50 53.75 3i1y n TRP 525 Cb 0.73 -1.71 0.17 0.00 -2.42 0.00 0.00 31.31 28.08 3i1y n TRP 525 CO 0.00 0.00 0.00 1.15 -2.02 0.00 0.00 177.69 176.82 3i1y h THR 526 N 2.84 0.64 -0.70 -0.99 2.02 -1.97 -1.84 112.91 112.91 3i1y h THR 526 Ca 0.57 -0.13 0.06 0.00 0.77 0.00 0.00 66.41 67.68 3i1y h THR 526 Cb 0.40 0.21 -0.06 0.00 -1.74 0.00 0.00 68.15 66.96 3i1y h THR 526 CO 1.45 0.07 0.39 1.56 0.37 0.00 0.00 175.52 179.36 3i1y h GLN 527 N 0.39 0.70 0.00 6.66 7.50 -1.88 -1.60 115.11 126.87 3i1y h GLN 527 Ca 0.40 -0.04 0.00 0.00 0.50 0.00 0.00 58.65 59.51 3i1y h GLN 527 Cb 0.61 -0.16 0.00 0.00 0.05 0.00 0.00 27.48 27.98 3i1y h GLN 527 CO -0.42 0.46 -1.24 0.00 -1.50 0.00 0.00 178.83 176.13 3i1y n MET 528 N -4.77 0.33 -0.05 1.46 0.00 -1.05 -2.89 117.12 110.15 3i1y n MET 528 Ca 0.09 -0.04 -0.14 0.00 0.00 0.00 0.00 57.70 57.61 3i1y n MET 528 Cb 0.18 -1.57 -0.12 0.00 0.00 0.00 0.00 33.22 31.71 3i1y n MET 528 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 175.97 176.19 3i1y h ASP 529 N 0.00 0.05 -1.75 3.17 1.82 -1.08 -3.41 116.42 115.22 3i1y h ASP 529 Ca 0.00 -0.90 -0.49 0.00 -0.39 0.00 0.00 57.03 55.25 3i1y h ASP 529 Cb 0.76 -0.02 -0.41 0.00 0.68 0.00 0.00 39.33 40.35 3i1y h ASP 529 CO 0.00 0.94 -1.01 0.29 -1.61 0.00 0.00 179.24 177.85 3i1y n LYS 530 N -4.61 1.86 -0.19 0.28 4.76 -0.63 -4.96 118.16 114.67 3i1y n LYS 530 Ca -0.10 -3.84 -0.02 0.00 -2.87 0.00 0.00 58.31 51.48 3i1y n LYS 530 Cb 0.47 -1.79 0.08 0.00 -1.84 0.00 0.00 35.03 31.95 3i1y n LYS 530 CO 0.00 0.00 0.00 -1.00 -1.37 0.00 0.00 177.40 175.03 3i1y h PRO 531 N 2.94 0.46 -0.22 1.97 0.13 -1.68 -0.60 132.00 134.99 3i1y h PRO 531 Ca 0.09 -0.03 0.04 0.00 -0.87 0.00 0.00 66.00 65.23 3i1y h PRO 531 Cb 0.91 -0.10 -0.04 0.00 0.13 0.00 0.00 31.00 31.90 3i1y h PRO 531 CO 0.62 0.31 -0.02 1.15 -0.23 0.00 0.00 178.00 179.82 3i1y h THR 532 N 0.47 0.81 -0.16 1.56 2.02 -1.93 0.75 112.91 116.44 3i1y h THR 532 Ca 0.27 -0.01 -0.19 0.00 0.77 0.00 0.00 66.41 67.25 3i1y h THR 532 Cb 0.26 0.77 -0.00 0.00 -1.74 0.00 0.00 68.15 67.43 3i1y h THR 532 CO -0.23 0.01 -0.67 1.05 0.37 0.00 0.00 175.52 176.05 3i1y h GLU 533 N 0.04 0.61 -0.38 6.66 9.09 -1.92 -1.92 114.58 126.76 3i1y h GLU 533 Ca 0.11 -0.45 0.05 0.00 0.05 0.00 0.00 59.36 59.12 3i1y h GLU 533 Cb 0.15 0.08 -0.05 0.00 -1.65 0.00 0.00 28.75 27.28 3i1y h GLU 533 CO -0.20 1.07 0.11 0.28 0.05 0.00 0.00 179.01 180.32 3i1y h VAL 534 N 0.44 0.85 -0.59 -1.06 2.07 -0.87 -0.56 116.25 116.53 3i1y h VAL 534 Ca -0.02 -0.09 -0.04 0.00 0.82 0.00 0.00 66.70 67.38 3i1y h VAL 534 Cb 1.25 0.58 -0.03 0.00 -1.52 0.00 0.00 31.29 31.57 3i1y h VAL 534 CO 0.13 0.05 0.23 0.78 0.02 0.00 0.00 177.57 178.77 3i1y h ASN 535 N 0.25 0.83 -0.64 0.57 2.35 -0.72 -1.42 115.58 116.79 3i1y h ASN 535 Ca 0.18 -0.18 0.00 0.00 -0.55 0.00 0.00 56.30 55.76 3i1y h ASN 535 Cb 0.18 -0.21 -0.03 0.00 0.05 0.00 0.00 38.32 38.31 3i1y h ASN 535 CO -0.21 0.78 0.42 -0.61 -1.65 0.00 0.00 177.43 176.16 3i1y h GLN 536 N 0.83 0.86 -0.25 0.81 -0.00 -1.01 -0.77 115.11 115.57 3i1y h GLN 536 Ca 0.20 -0.06 -0.05 0.00 -0.00 0.00 0.00 58.65 58.74 3i1y h GLN 536 Cb 0.22 -0.19 -0.01 0.00 0.00 0.00 0.00 27.48 27.50 3i1y h GLN 536 CO -0.01 0.58 -0.05 0.82 0.00 0.00 0.00 178.83 180.16 3i1y h ILE 537 N 0.87 1.28 -0.22 2.39 2.04 -0.81 -2.27 117.51 120.79 3i1y h ILE 537 Ca 0.23 -1.04 -0.12 0.00 1.00 0.00 0.00 64.86 64.94 3i1y h ILE 537 Cb -0.08 1.46 -0.00 0.00 -0.74 0.00 0.00 36.82 37.46 3i1y h ILE 537 CO -0.05 0.32 -0.33 -0.07 0.00 0.00 0.00 178.15 178.03 3i1y h LEU 538 N 0.21 0.67 -0.98 1.44 3.38 -1.20 -1.87 115.31 116.96 3i1y h LEU 538 Ca 0.06 -0.52 -0.03 0.00 0.09 0.00 0.00 57.88 57.48 3i1y h LEU 538 Cb 0.50 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 41.03 3i1y h LEU 538 CO 0.02 1.06 0.34 0.40 0.09 0.00 0.00 178.44 180.35 3i1y h ILE 539 N 0.30 1.24 -0.33 1.22 2.04 -1.19 0.27 117.51 121.06 3i1y h ILE 539 Ca 0.02 -0.70 -0.15 0.00 1.00 0.00 0.00 64.86 65.04 3i1y h ILE 539 Cb 0.91 0.31 -0.01 0.00 -0.74 0.00 0.00 36.82 37.29 3i1y h ILE 539 CO 0.08 0.29 -0.38 0.50 0.00 0.00 0.00 178.15 178.63 3i1y h LYS 540 N 1.06 0.77 -0.12 2.37 3.64 -1.39 -2.01 116.57 120.90 3i1y h LYS 540 Ca 0.25 -0.40 -0.20 0.00 -1.27 0.00 0.00 60.65 59.04 3i1y h LYS 540 Cb 0.13 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 31.96 3i1y h LYS 540 CO -0.03 1.02 -0.74 2.35 -2.27 0.00 0.00 179.45 179.79 3i1y h TRP 541 N 0.64 0.78 -0.30 1.91 7.01 -0.77 -3.04 115.95 122.18 3i1y h TRP 541 Ca 0.06 -0.34 -0.01 0.00 2.11 0.00 0.00 58.89 60.70 3i1y h TRP 541 Cb 0.94 -0.12 -0.01 0.00 -2.10 0.00 0.00 29.16 27.86 3i1y h TRP 541 CO 0.05 1.13 0.13 -0.07 -2.79 0.00 0.00 178.44 176.89 3i1y h LEU 542 N 0.40 0.40 -1.38 0.65 3.38 -0.44 0.62 115.31 118.93 3i1y h LEU 542 Ca -0.04 -0.14 0.07 0.00 0.09 0.00 0.00 57.88 57.86 3i1y h LEU 542 Cb 1.33 -0.10 -0.05 0.00 0.09 0.00 0.00 40.66 41.94 3i1y h LEU 542 CO 0.14 0.43 0.48 0.44 0.09 0.00 0.00 178.44 180.02 3i1y h ASP 543 N 0.34 0.66 0.24 -0.43 3.32 -1.37 0.12 116.42 119.30 3i1y h ASP 543 Ca 0.10 0.00 -0.23 0.00 0.02 0.00 0.00 57.03 56.93 3i1y h ASP 543 Cb 0.15 -0.14 -0.04 0.00 0.22 0.00 0.00 39.33 39.52 3i1y h ASP 543 CO -0.01 0.43 -1.98 -1.54 -1.72 0.00 0.00 179.24 174.42 3i1y n SER 544 N -4.48 0.31 -0.00 6.45 3.41 -1.15 -4.09 113.62 114.07 3i1y n SER 544 Ca 0.11 0.14 0.00 0.00 -0.26 0.00 0.00 58.87 58.86 3i1y n SER 544 Cb 0.23 0.90 -0.01 0.00 -0.26 0.00 0.00 64.21 65.08 3i1y n SER 544 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 3i1y n ASP 545 N -2.70 4.81 -0.08 4.04 8.00 0.20 -4.31 116.55 126.51 3i1y n ASP 545 Ca -0.19 0.00 -0.07 0.00 0.71 0.00 0.00 54.79 55.24 3i1y n ASP 545 Cb 0.93 0.77 -0.03 0.00 -0.02 0.00 0.00 41.12 42.78 3i1y n ASP 545 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3i1y n ALA 546 N -1.78 0.54 0.24 2.24 0.00 0.31 -4.18 120.51 117.87 3i1y n ALA 546 Ca -0.01 -0.47 0.08 0.00 0.00 0.00 0.00 53.44 53.04 3i1y n ALA 546 Cb 0.28 -0.04 0.59 0.00 0.00 0.00 0.00 19.45 20.27 3i1y n ALA 546 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 3i1y h ARG 547 N -1.00 0.00 0.00 0.00 9.65 -1.44 -3.49 114.38 118.10 3i1y h ARG 547 Ca -0.05 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.83 3i1y h ARG 547 Cb 0.66 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.24 3i1y h ARG 547 CO -0.03 0.17 0.00 -1.71 2.80 0.00 0.00 179.97 181.21