#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i28 s ALA 5 N 0.00 1.33 -0.03 7.54 0.00 -0.26 -2.01 121.76 128.33 3i28 s ALA 5 Ca 0.00 -1.17 0.02 0.00 0.00 0.00 0.00 51.96 50.80 3i28 s ALA 5 Cb 0.00 -0.07 0.01 0.00 0.00 0.00 0.00 23.12 23.06 3i28 s ALA 5 CO 0.00 0.11 -0.06 0.00 0.00 0.00 0.00 175.76 175.80 3i28 s ALA 6 N -1.87 0.69 -0.08 0.00 0.00 -0.64 -1.05 121.76 118.81 3i28 s ALA 6 Ca 0.04 -0.19 0.03 0.00 0.00 0.00 0.00 51.96 51.85 3i28 s ALA 6 Cb -0.06 -0.31 0.01 0.00 0.00 0.00 0.00 23.12 22.75 3i28 s ALA 6 CO 0.02 0.07 -0.16 0.08 0.00 0.00 0.00 175.76 175.77 3i28 s VAL 7 N 0.41 1.46 -0.05 0.00 1.01 0.64 -1.90 120.40 121.98 3i28 s VAL 7 Ca -0.06 -0.68 0.06 0.00 0.00 0.00 0.00 61.98 61.31 3i28 s VAL 7 Cb -0.10 -1.30 -0.02 0.00 0.00 0.00 0.00 36.38 34.97 3i28 s VAL 7 CO 0.00 0.43 -0.23 -0.36 0.00 0.00 0.00 175.10 174.94 3i28 s PHE 8 N 0.51 2.48 0.90 5.22 0.40 -0.10 -0.76 117.98 126.64 3i28 s PHE 8 Ca -0.15 -0.53 -0.12 0.00 -0.60 0.00 0.00 56.93 55.52 3i28 s PHE 8 Cb -0.16 -1.59 0.13 0.00 0.51 0.00 0.00 43.02 41.91 3i28 s PHE 8 CO 0.05 -0.09 1.10 0.34 0.70 0.00 0.00 175.22 177.32 3i28 s ASP 9 N -0.36 3.46 -0.03 1.36 2.15 -0.96 -1.26 116.67 121.03 3i28 s ASP 9 Ca 0.03 1.34 -0.02 0.00 0.43 0.00 0.00 52.55 54.33 3i28 s ASP 9 Cb -0.12 -2.02 -0.01 0.00 -0.30 0.00 0.00 42.92 40.47 3i28 s ASP 9 CO 0.02 -2.63 -0.05 -0.11 -0.17 0.00 0.00 175.17 172.24 3i28 n LEU 10 N -3.86 0.35 -4.66 -1.34 7.94 -1.26 -3.11 117.00 111.06 3i28 n LEU 10 Ca 0.07 0.23 -0.42 0.00 -1.11 0.00 0.00 56.01 54.77 3i28 n LEU 10 Cb 0.56 -0.56 -0.03 0.00 0.53 0.00 0.00 43.42 43.92 3i28 n LEU 10 CO 0.56 -0.48 1.37 -0.62 -1.11 0.00 0.00 177.39 177.11 3i28 s ASP 11 N -4.09 6.66 0.00 1.96 3.68 -1.26 -1.52 116.67 122.10 3i28 s ASP 11 Ca -0.04 2.26 0.00 0.00 2.13 0.00 0.00 52.55 56.91 3i28 s ASP 11 Cb 0.01 -2.54 0.00 0.00 -1.45 0.00 0.00 42.92 38.94 3i28 s ASP 11 CO 0.06 -0.92 0.00 0.61 0.13 0.00 0.00 175.17 175.05 3i28 n GLY 12 N 4.12 0.77 1.46 2.66 0.00 -0.27 -4.68 105.19 109.26 3i28 n GLY 12 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.19 3i28 n GLY 12 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3i28 n VAL 13 N -2.27 0.00 0.83 1.61 0.31 -0.84 -4.64 118.33 113.33 3i28 n VAL 13 Ca 0.00 0.00 0.13 0.00 -0.01 0.00 0.00 64.34 64.46 3i28 n VAL 13 Cb 0.00 -0.43 0.36 0.00 -0.91 0.00 0.00 33.84 32.86 3i28 n VAL 13 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 3i28 n LEU 14 N -2.41 0.46 -3.85 7.52 4.77 -0.80 -4.74 117.00 117.95 3i28 n LEU 14 Ca 0.00 0.30 -0.15 0.00 -0.03 0.00 0.00 56.01 56.12 3i28 n LEU 14 Cb 0.00 -0.32 -0.15 0.00 -2.33 0.00 0.00 43.42 40.62 3i28 n LEU 14 CO 0.00 -0.01 -0.37 0.00 -1.33 0.00 0.00 177.39 175.68 3i28 s ALA 15 N -3.06 0.24 0.04 -1.18 0.00 -0.58 -0.57 121.76 116.65 3i28 s ALA 15 Ca 0.11 0.08 0.02 0.00 0.00 0.00 0.00 51.96 52.16 3i28 s ALA 15 Cb 0.16 -0.20 -0.02 0.00 0.00 0.00 0.00 23.12 23.06 3i28 s ALA 15 CO 0.64 -0.02 -0.07 -0.51 0.00 0.00 0.00 175.76 175.79 3i28 s LEU 16 N 0.58 2.27 0.59 0.00 1.43 0.18 -1.12 118.68 122.62 3i28 s LEU 16 Ca -0.06 -0.57 -0.15 0.00 -1.03 0.00 0.00 54.13 52.32 3i28 s LEU 16 Cb -0.08 -0.12 -0.04 0.00 0.03 0.00 0.00 46.19 45.97 3i28 s LEU 16 CO -0.01 -0.23 1.04 -2.16 0.23 0.00 0.00 176.35 175.21 3i28 s PRO 17 N -1.72 3.45 0.02 1.29 0.04 -1.26 -0.35 135.00 136.47 3i28 s PRO 17 Ca -0.09 1.07 -0.30 0.00 0.04 0.00 0.00 61.00 61.72 3i28 s PRO 17 Cb -0.09 -2.06 -0.09 0.00 0.04 0.00 0.00 34.50 32.30 3i28 s PRO 17 CO -0.00 -0.69 1.98 0.00 0.04 0.00 0.00 177.00 178.32 3i28 n ALA 18 N -2.12 1.54 -0.32 8.56 0.00 -1.26 -4.62 120.51 122.29 3i28 n ALA 18 Ca 0.08 0.21 0.23 0.00 0.00 0.00 0.00 53.44 53.95 3i28 n ALA 18 Cb 0.53 -2.68 0.45 0.00 0.00 0.00 0.00 19.45 17.75 3i28 n ALA 18 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3i28 h VAL 19 N 5.66 0.21 -0.34 0.00 2.07 -1.90 1.36 116.25 123.32 3i28 h VAL 19 Ca -0.50 -0.07 0.10 0.00 0.82 0.00 0.00 66.70 67.05 3i28 h VAL 19 Cb 1.24 -0.01 -0.01 0.00 -1.52 0.00 0.00 31.29 30.99 3i28 h VAL 19 CO 0.94 0.04 0.33 0.15 0.02 0.00 0.00 177.57 179.04 3i28 h PHE 20 N 0.20 0.00 -0.00 1.57 3.57 -1.98 0.88 116.94 121.18 3i28 h PHE 20 Ca 0.71 0.00 0.00 0.00 3.53 0.00 0.00 57.97 62.21 3i28 h PHE 20 Cb 1.65 0.00 0.00 0.00 2.79 0.00 0.00 35.95 40.39 3i28 h PHE 20 CO -0.10 0.00 -0.02 0.41 -2.23 0.00 0.00 178.31 176.36 3i28 n GLY 21 N -1.49 -1.31 0.08 2.40 0.00 0.47 -3.09 105.19 102.25 3i28 n GLY 21 Ca 0.05 -0.15 -0.08 0.00 0.00 0.00 0.00 46.02 45.85 3i28 n GLY 21 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 3i28 h VAL 22 N 0.05 1.63 -0.36 1.61 3.04 -0.83 -3.04 116.25 118.35 3i28 h VAL 22 Ca 0.00 -3.15 0.05 0.00 -1.01 0.00 0.00 66.70 62.59 3i28 h VAL 22 Cb 0.35 2.75 -0.04 0.00 -2.01 0.00 0.00 31.29 32.33 3i28 h VAL 22 CO 0.00 0.90 0.10 -0.07 -1.01 0.00 0.00 177.57 177.49 3i28 h LEU 23 N 0.02 0.07 -0.30 3.16 3.38 -1.64 0.40 115.31 120.40 3i28 h LEU 23 Ca -0.03 0.05 0.00 0.00 0.09 0.00 0.00 57.88 57.99 3i28 h LEU 23 Cb 1.70 0.06 -0.02 0.00 0.09 0.00 0.00 40.66 42.49 3i28 h LEU 23 CO 0.14 0.07 0.20 1.23 0.09 0.00 0.00 178.44 180.16 3i28 h GLY 24 N 0.23 0.42 1.58 0.83 0.00 -1.71 0.02 103.07 104.44 3i28 h GLY 24 Ca 0.17 -0.15 -0.12 0.00 0.00 0.00 0.00 47.33 47.22 3i28 h GLY 24 CO -0.20 0.15 -0.39 3.21 0.00 0.00 0.00 176.54 179.31 3i28 h ARG 25 N 0.40 0.47 -0.46 4.80 3.08 -1.36 -2.73 114.38 118.57 3i28 h ARG 25 Ca 0.11 -0.23 -0.04 0.00 0.07 0.00 0.00 59.98 59.89 3i28 h ARG 25 Cb -0.04 -0.00 -0.02 0.00 0.08 0.00 0.00 29.97 29.99 3i28 h ARG 25 CO -0.03 0.79 0.13 1.15 -1.07 0.00 0.00 179.97 180.94 3i28 h THR 26 N 0.39 1.23 -0.43 2.04 2.02 0.12 -1.44 112.91 116.84 3i28 h THR 26 Ca 0.04 -0.78 0.07 0.00 0.77 0.00 0.00 66.41 66.51 3i28 h THR 26 Cb 0.86 0.87 -0.06 0.00 -1.74 0.00 0.00 68.15 68.08 3i28 h THR 26 CO 0.07 0.28 0.07 -0.33 0.37 0.00 0.00 175.52 175.98 3i28 h GLU 27 N 0.60 0.19 0.20 6.66 5.08 -0.86 -1.18 114.58 125.26 3i28 h GLU 27 Ca 0.15 -0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.48 3i28 h GLU 27 Cb 0.29 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.50 3i28 h GLU 27 CO -0.00 0.13 -0.09 1.49 -1.00 0.00 0.00 179.01 179.53 3i28 h GLU 28 N 0.20 -0.26 -0.88 2.33 4.81 -1.29 0.49 114.58 119.98 3i28 h GLU 28 Ca 0.21 0.02 0.15 0.00 -0.13 0.00 0.00 59.36 59.61 3i28 h GLU 28 Cb 0.27 0.06 -0.09 0.00 0.63 0.00 0.00 28.75 29.61 3i28 h GLU 28 CO -0.29 -0.09 0.47 0.00 -0.73 0.00 0.00 179.01 178.37 3i28 h ALA 29 N 0.41 1.34 -0.04 2.92 0.00 -0.98 0.28 119.26 123.20 3i28 h ALA 29 Ca -0.03 0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.96 3i28 h ALA 29 Cb 0.28 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.04 3i28 h ALA 29 CO 0.04 -0.06 0.00 1.28 0.00 0.00 0.00 179.25 180.51 3i28 n LEU 30 N -4.84 1.14 -3.79 0.00 4.77 -0.47 -4.91 117.00 108.90 3i28 n LEU 30 Ca 0.18 -0.40 -0.27 0.00 -0.03 0.00 0.00 56.01 55.48 3i28 n LEU 30 Cb 0.44 -0.02 0.05 0.00 -2.33 0.00 0.00 43.42 41.56 3i28 n LEU 30 CO 0.22 0.20 0.14 0.00 -1.33 0.00 0.00 177.39 176.62 3i28 n ALA 31 N -0.09 -1.36 -2.32 -1.18 0.00 0.98 -4.97 120.51 111.56 3i28 n ALA 31 Ca 0.19 0.23 -0.26 0.00 0.00 0.00 0.00 53.44 53.60 3i28 n ALA 31 Cb 0.29 -4.60 0.00 0.00 0.00 0.00 0.00 19.45 15.14 3i28 n ALA 31 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3i28 s LEU 32 N -7.23 3.64 0.33 0.00 1.43 0.15 -5.00 118.68 112.00 3i28 s LEU 32 Ca 0.58 0.75 -0.29 0.00 -1.03 0.00 0.00 54.13 54.14 3i28 s LEU 32 Cb -0.28 -3.66 -0.12 0.00 0.03 0.00 0.00 46.19 42.16 3i28 s LEU 32 CO 0.80 -0.61 1.39 -2.65 0.23 0.00 0.00 176.35 175.51 3i28 n PRO 33 N -2.20 2.34 -1.64 1.29 -0.02 -1.26 -4.62 135.00 128.88 3i28 n PRO 33 Ca 0.00 0.82 -0.47 0.00 -2.02 0.00 0.00 63.50 61.83 3i28 n PRO 33 Cb 0.56 -2.48 -0.04 0.00 -0.02 0.00 0.00 33.50 31.52 3i28 n PRO 33 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 3i28 n ARG 34 N 0.88 1.82 0.00 -0.52 5.12 -1.26 -2.21 116.66 120.48 3i28 n ARG 34 Ca 0.05 0.65 0.00 0.00 -1.93 0.00 0.00 57.85 56.62 3i28 n ARG 34 Cb 0.36 -2.33 0.00 0.00 -1.16 0.00 0.00 32.46 29.33 3i28 n ARG 34 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3i28 n GLY 35 N 2.70 2.34 0.23 -0.13 0.00 -1.26 -4.91 105.19 104.16 3i28 n GLY 35 Ca 0.15 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.12 3i28 n GLY 35 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3i28 h LEU 36 N 0.00 -0.59 -0.46 0.99 7.12 -1.81 0.24 115.31 120.80 3i28 h LEU 36 Ca 0.00 0.15 -0.11 0.00 0.13 0.00 0.00 57.88 58.04 3i28 h LEU 36 Cb 0.00 0.33 -0.01 0.00 -0.53 0.00 0.00 40.66 40.45 3i28 h LEU 36 CO 0.00 -0.20 -0.16 -0.07 -0.13 0.00 0.00 178.44 177.87 3i28 h LEU 37 N -0.09 0.93 -1.16 2.25 3.38 -1.89 -1.38 115.31 117.35 3i28 h LEU 37 Ca 0.20 -0.38 -0.08 0.00 0.09 0.00 0.00 57.88 57.71 3i28 h LEU 37 Cb 0.40 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.88 3i28 h LEU 37 CO -0.47 1.10 -0.32 0.78 0.09 0.00 0.00 178.44 179.62 3i28 h ASN 38 N 0.75 0.17 -0.16 -0.43 2.35 -1.76 -1.30 115.58 115.21 3i28 h ASN 38 Ca 0.11 -0.06 -0.04 0.00 -0.55 0.00 0.00 56.30 55.77 3i28 h ASN 38 Cb 0.72 -0.05 -0.00 0.00 0.05 0.00 0.00 38.32 39.04 3i28 h ASN 38 CO 0.06 0.49 -0.04 -0.78 -1.65 0.00 0.00 177.43 175.51 3i28 h ASP 39 N 0.15 0.31 -0.56 5.81 -0.00 -0.30 -2.64 116.42 119.19 3i28 h ASP 39 Ca 0.02 -0.37 -0.04 0.00 -0.00 0.00 0.00 57.03 56.64 3i28 h ASP 39 Cb 0.65 -0.08 -0.03 0.00 -0.00 0.00 0.00 39.33 39.86 3i28 h ASP 39 CO 0.05 0.61 0.22 0.00 -0.00 0.00 0.00 179.24 180.12 3i28 h ALA 40 N 0.71 1.27 -0.83 -0.78 0.00 -1.01 -1.31 119.26 117.32 3i28 h ALA 40 Ca 0.04 -0.17 -0.02 0.00 0.00 0.00 0.00 54.91 54.76 3i28 h ALA 40 Cb 0.47 -0.24 -0.04 0.00 0.00 0.00 0.00 17.79 17.98 3i28 h ALA 40 CO 0.02 0.53 0.42 0.35 0.00 0.00 0.00 179.25 180.57 3i28 h PHE 41 N 0.86 1.16 -0.02 0.00 3.57 -1.16 -2.99 116.94 118.36 3i28 h PHE 41 Ca 0.20 -0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.66 3i28 h PHE 41 Cb 0.19 -0.37 0.00 0.00 2.79 0.00 0.00 35.95 38.57 3i28 h PHE 41 CO 0.01 0.83 -0.21 0.00 -2.23 0.00 0.00 178.31 176.71 3i28 n GLN 42 N -4.36 1.65 -1.57 1.11 -0.00 -1.00 -4.49 117.38 108.72 3i28 n GLN 42 Ca 0.08 -1.29 -0.50 0.00 -0.00 0.00 0.00 57.00 55.29 3i28 n GLN 42 Cb 0.12 -1.47 -0.05 0.00 -0.00 0.00 0.00 30.24 28.84 3i28 n GLN 42 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.06 178.23 3i28 n LYS 43 N 0.45 1.08 -0.14 2.61 4.81 -0.52 -1.16 118.16 125.29 3i28 n LYS 43 Ca 0.13 0.39 0.00 0.00 -0.87 0.00 0.00 58.31 57.95 3i28 n LYS 43 Cb 0.49 -1.91 0.00 0.00 0.02 0.00 0.00 35.03 33.63 3i28 n LYS 43 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3i28 n GLY 44 N 2.11 1.20 7.00 3.14 0.00 -1.26 -4.14 105.19 113.24 3i28 n GLY 44 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.18 3i28 n GLY 44 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i28 n GLY 45 N -2.00 2.16 0.52 -0.02 0.00 -0.31 -1.71 105.19 103.84 3i28 n GLY 45 Ca 0.00 -0.25 0.38 0.00 0.00 0.00 0.00 46.02 46.15 3i28 n GLY 45 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3i28 h PRO 46 N 0.00 0.10 -0.37 1.61 0.11 -1.93 0.20 132.00 131.72 3i28 h PRO 46 Ca 0.00 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.10 3i28 h PRO 46 Cb 0.00 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 31.09 3i28 h PRO 46 CO 0.00 0.06 0.00 0.39 -0.21 0.00 0.00 178.00 178.24 3i28 n GLU 47 N -4.40 2.35 -2.02 1.05 -0.58 -0.69 -4.76 120.64 111.58 3i28 n GLU 47 Ca 0.34 -2.14 -0.28 0.00 -0.42 0.00 0.00 57.16 54.65 3i28 n GLU 47 Cb 1.42 -1.43 0.13 0.00 -0.57 0.00 0.00 31.44 30.99 3i28 n GLU 47 CO 0.00 0.00 0.00 0.20 -0.48 0.00 0.00 177.13 176.85 3i28 s GLY 48 N -1.26 1.71 0.24 0.62 0.00 0.71 -4.89 107.32 104.45 3i28 s GLY 48 Ca 0.34 -1.04 -0.06 0.00 0.00 0.00 0.00 44.72 43.96 3i28 s GLY 48 CO 0.26 -0.42 1.90 0.00 0.00 0.00 0.00 173.10 174.84 3i28 h ALA 49 N -1.22 1.23 -0.19 3.20 0.00 -1.86 -2.67 119.26 117.75 3i28 h ALA 49 Ca -0.44 -0.05 -0.13 0.00 0.00 0.00 0.00 54.91 54.29 3i28 h ALA 49 Cb 1.28 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 18.72 3i28 h ALA 49 CO 0.50 0.51 -0.44 1.15 0.00 0.00 0.00 179.25 180.97 3i28 h THR 50 N 1.20 1.31 -0.56 0.00 2.02 -1.84 -1.37 112.91 113.68 3i28 h THR 50 Ca 0.37 -1.62 -0.11 0.00 0.77 0.00 0.00 66.41 65.82 3i28 h THR 50 Cb -0.03 1.65 -0.02 0.00 -1.74 0.00 0.00 68.15 68.01 3i28 h THR 50 CO -0.11 0.50 -0.07 0.74 0.37 0.00 0.00 175.52 176.94 3i28 h THR 51 N 0.37 1.27 -0.49 3.16 2.02 -1.72 -0.77 112.91 116.74 3i28 h THR 51 Ca 0.03 -1.23 0.04 0.00 0.77 0.00 0.00 66.41 66.02 3i28 h THR 51 Cb 0.92 0.91 -0.04 0.00 -1.74 0.00 0.00 68.15 68.20 3i28 h THR 51 CO 0.08 0.44 0.25 0.03 0.37 0.00 0.00 175.52 176.69 3i28 h ARG 52 N 0.92 0.48 -0.22 6.66 3.08 -1.16 -0.75 114.38 123.39 3i28 h ARG 52 Ca 0.15 -0.03 0.05 0.00 0.07 0.00 0.00 59.98 60.22 3i28 h ARG 52 Cb 0.64 -0.11 -0.05 0.00 0.08 0.00 0.00 29.97 30.53 3i28 h ARG 52 CO 0.04 0.32 -0.09 1.25 -1.07 0.00 0.00 179.97 180.42 3i28 h LEU 53 N 0.50 -0.32 -1.24 3.04 5.85 -0.98 -0.29 115.31 121.87 3i28 h LEU 53 Ca 0.21 0.08 -0.00 0.00 0.84 0.00 0.00 57.88 59.01 3i28 h LEU 53 Cb 0.10 0.19 -0.00 0.00 0.37 0.00 0.00 40.66 41.32 3i28 h LEU 53 CO -0.14 -0.12 -0.01 0.24 -0.34 0.00 0.00 178.44 178.06 3i28 h MET 54 N -0.06 0.00 -0.01 1.25 2.86 -0.65 -2.07 114.93 116.25 3i28 h MET 54 Ca 0.12 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.76 3i28 h MET 54 Cb 0.24 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.90 3i28 h MET 54 CO -0.27 0.01 -0.12 1.63 1.06 0.00 0.00 176.91 179.22 3i28 n LYS 55 N -3.11 0.89 -0.80 1.72 5.02 -0.33 -1.56 118.16 119.99 3i28 n LYS 55 Ca 0.01 -0.39 0.00 0.00 -2.02 0.00 0.00 58.31 55.91 3i28 n LYS 55 Cb 0.34 -1.49 0.00 0.00 -0.02 0.00 0.00 35.03 33.86 3i28 n LYS 55 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3i28 n GLY 56 N 1.26 0.53 0.16 0.72 0.00 -0.78 -3.89 105.19 103.19 3i28 n GLY 56 Ca 0.15 -0.67 -0.06 0.00 0.00 0.00 0.00 46.02 45.44 3i28 n GLY 56 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3i28 h GLU 57 N 0.38 0.24 -4.26 1.61 5.08 -1.26 -3.46 114.58 112.91 3i28 h GLU 57 Ca 0.00 -0.18 -0.14 0.00 -1.00 0.00 0.00 59.36 58.04 3i28 h GLU 57 Cb 0.00 0.03 -0.15 0.00 0.50 0.00 0.00 28.75 29.14 3i28 h GLU 57 CO 0.00 0.82 -0.63 0.96 -1.00 0.00 0.00 179.01 179.17 3i28 s ILE 58 N -3.63 0.16 0.56 3.13 -4.36 -1.24 -5.01 121.20 110.81 3i28 s ILE 58 Ca -0.04 -1.78 -0.02 0.00 -0.26 0.00 0.00 60.65 58.55 3i28 s ILE 58 Cb 0.11 -1.72 0.02 0.00 1.25 0.00 0.00 42.46 42.13 3i28 s ILE 58 CO 0.81 -0.74 0.82 0.42 0.24 0.00 0.00 174.94 176.48 3i28 s THR 59 N -3.97 3.25 0.28 8.37 -4.23 -1.26 -4.56 115.64 113.53 3i28 s THR 59 Ca 0.14 -0.38 -0.01 0.00 -1.18 0.00 0.00 61.69 60.26 3i28 s THR 59 Cb 0.07 -3.26 0.28 0.00 1.34 0.00 0.00 72.50 70.93 3i28 s THR 59 CO -0.05 -0.22 1.89 0.25 -0.54 0.00 0.00 174.62 175.94 3i28 h LEU 60 N -0.01 0.98 -0.85 4.79 5.85 -1.55 -1.26 115.31 123.26 3i28 h LEU 60 Ca -0.44 0.01 -0.12 0.00 0.84 0.00 0.00 57.88 58.17 3i28 h LEU 60 Cb 1.28 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 42.10 3i28 h LEU 60 CO 0.57 0.61 -0.45 0.28 -0.34 0.00 0.00 178.44 179.11 3i28 h SER 61 N 1.10 0.30 0.43 1.25 0.02 -1.91 -1.72 113.55 113.03 3i28 h SER 61 Ca 0.43 -0.14 -0.08 0.00 -0.84 0.00 0.00 61.79 61.16 3i28 h SER 61 Cb 0.23 -0.08 -0.01 0.00 0.14 0.00 0.00 62.40 62.67 3i28 h SER 61 CO -0.18 0.71 -0.38 1.56 -1.14 0.00 0.00 176.83 177.40 3i28 h GLN 62 N 0.23 0.00 -0.08 3.45 4.20 -1.79 -3.28 115.11 117.85 3i28 h GLN 62 Ca 0.02 0.00 -0.23 0.00 0.06 0.00 0.00 58.65 58.50 3i28 h GLN 62 Cb 0.89 0.00 0.01 0.00 0.30 0.00 0.00 27.48 28.68 3i28 h GLN 62 CO 0.07 0.38 -0.86 2.35 -0.67 0.00 0.00 178.83 180.11 3i28 h TRP 63 N 0.00 0.88 -0.76 2.96 7.01 -0.40 -3.36 115.95 122.29 3i28 h TRP 63 Ca -0.00 -0.43 0.11 0.00 2.11 0.00 0.00 58.89 60.68 3i28 h TRP 63 Cb 0.70 -0.12 -0.12 0.00 -2.10 0.00 0.00 29.16 27.51 3i28 h TRP 63 CO 0.00 1.24 -0.44 0.82 -2.79 0.00 0.00 178.44 177.28 3i28 h ILE 64 N 0.40 0.06 -0.84 2.65 1.08 -1.44 0.12 117.51 119.54 3i28 h ILE 64 Ca -0.07 0.00 0.07 0.00 -0.39 0.00 0.00 64.86 64.47 3i28 h ILE 64 Cb 1.48 0.06 -0.05 0.00 -3.07 0.00 0.00 36.82 35.24 3i28 h ILE 64 CO 0.16 0.00 0.55 -0.65 -0.69 0.00 0.00 178.15 177.52 3i28 h PRO 65 N -0.12 0.88 -0.57 2.37 0.11 -1.77 -0.79 132.00 132.11 3i28 h PRO 65 Ca 0.23 -0.05 -0.09 0.00 0.11 0.00 0.00 66.00 66.19 3i28 h PRO 65 Cb 0.55 -0.20 -0.02 0.00 0.11 0.00 0.00 31.00 31.44 3i28 h PRO 65 CO -0.81 0.58 -0.01 -0.07 -0.21 0.00 0.00 178.00 177.49 3i28 h LEU 66 N 0.91 1.00 -0.50 2.35 -0.00 -1.00 -2.28 115.31 115.79 3i28 h LEU 66 Ca 0.36 -0.31 -0.05 0.00 -0.00 0.00 0.00 57.88 57.88 3i28 h LEU 66 Cb 0.25 -0.27 -0.02 0.00 -0.00 0.00 0.00 40.66 40.62 3i28 h LEU 66 CO -0.13 1.06 0.11 -0.03 -0.00 0.00 0.00 178.44 179.44 3i28 h MET 67 N 0.90 0.82 -0.52 1.13 4.05 -0.34 -2.17 114.93 118.80 3i28 h MET 67 Ca 0.16 -0.21 0.10 0.00 -0.28 0.00 0.00 59.70 59.48 3i28 h MET 67 Cb 0.56 -0.10 -0.10 0.00 -0.80 0.00 0.00 31.60 31.16 3i28 h MET 67 CO 0.03 0.80 -0.13 0.93 0.23 0.00 0.00 176.91 178.77 3i28 h GLU 68 N 0.70 -0.00 -0.83 0.39 4.39 -1.03 -0.63 114.58 117.58 3i28 h GLU 68 Ca 0.16 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.86 3i28 h GLU 68 Cb 0.36 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 28.97 3i28 h GLU 68 CO 0.01 -0.00 0.53 0.93 -1.16 0.00 0.00 179.01 179.31 3i28 h GLU 69 N -0.00 1.10 -0.37 2.33 5.08 -1.09 -1.02 114.58 120.61 3i28 h GLU 69 Ca 0.25 -0.08 -0.10 0.00 -1.00 0.00 0.00 59.36 58.43 3i28 h GLU 69 Cb 0.38 -0.24 -0.02 0.00 0.50 0.00 0.00 28.75 29.37 3i28 h GLU 69 CO -0.54 0.75 -0.17 -0.91 -1.00 0.00 0.00 179.01 177.14 3i28 h ASN 70 N 1.13 0.68 -0.70 1.42 2.35 -0.75 -1.87 115.58 117.84 3i28 h ASN 70 Ca 0.30 -0.22 -0.04 0.00 -0.55 0.00 0.00 56.30 55.80 3i28 h ASN 70 Cb -0.10 -0.18 -0.03 0.00 0.05 0.00 0.00 38.32 38.06 3i28 h ASN 70 CO -0.06 0.86 0.30 0.00 -1.65 0.00 0.00 177.43 176.87 3i28 h ARG 72 N 0.98 0.75 -0.42 0.00 -0.00 -0.88 -1.14 114.38 113.68 3i28 h ARG 72 Ca 0.23 -0.13 -0.02 0.00 -0.50 0.00 0.00 59.98 59.56 3i28 h ARG 72 Cb 0.18 -0.12 -0.02 0.00 0.00 0.00 0.00 29.97 30.01 3i28 h ARG 72 CO -0.02 0.66 0.17 0.87 0.00 0.00 0.00 179.97 181.65 3i28 h LYS 73 N 0.67 0.62 -0.55 0.04 1.79 -1.11 -0.46 116.57 117.57 3i28 h LYS 73 Ca 0.17 -0.11 -0.03 0.00 -2.18 0.00 0.00 60.65 58.50 3i28 h LYS 73 Cb 0.19 -0.10 -0.02 0.00 -1.58 0.00 0.00 32.23 30.71 3i28 h LYS 73 CO -0.01 0.57 0.22 0.00 -1.08 0.00 0.00 179.45 179.15 3i28 h SER 75 N 0.75 1.00 -0.20 0.00 4.64 -1.05 -1.12 113.55 117.57 3i28 h SER 75 Ca 0.18 -0.25 0.04 0.00 -0.47 0.00 0.00 61.79 61.29 3i28 h SER 75 Cb 0.19 -0.27 -0.03 0.00 -0.31 0.00 0.00 62.40 61.98 3i28 h SER 75 CO -0.02 1.02 -0.01 -0.08 -0.87 0.00 0.00 176.83 176.87 3i28 h GLU 76 N 0.97 0.05 -0.54 4.77 4.81 -0.81 -0.48 114.58 123.34 3i28 h GLU 76 Ca 0.19 -0.00 -0.05 0.00 -0.13 0.00 0.00 59.36 59.36 3i28 h GLU 76 Cb 0.47 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.82 3i28 h GLU 76 CO 0.02 0.03 0.14 1.15 -0.73 0.00 0.00 179.01 179.62 3i28 h THR 77 N 0.05 1.24 0.00 0.32 2.02 -1.04 -2.14 112.91 113.37 3i28 h THR 77 Ca 0.10 -0.86 0.00 0.00 0.77 0.00 0.00 66.41 66.42 3i28 h THR 77 Cb 0.13 0.76 0.00 0.00 -1.74 0.00 0.00 68.15 67.30 3i28 h THR 77 CO -0.17 0.32 0.00 0.00 0.37 0.00 0.00 175.52 176.03 3i28 n ALA 78 N -2.39 2.43 -2.82 6.16 0.00 -0.44 -4.89 120.51 118.55 3i28 n ALA 78 Ca 0.02 -0.16 -0.21 0.00 0.00 0.00 0.00 53.44 53.09 3i28 n ALA 78 Cb 0.22 -1.41 0.02 0.00 0.00 0.00 0.00 19.45 18.29 3i28 n ALA 78 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3i28 n LYS 79 N -1.02 -3.90 -4.49 0.00 4.01 -0.35 -4.99 118.16 107.42 3i28 n LYS 79 Ca 0.18 0.92 -0.24 0.00 -0.51 0.00 0.00 58.31 58.66 3i28 n LYS 79 Cb 0.09 -5.68 -0.10 0.00 -0.51 0.00 0.00 35.03 28.83 3i28 n LYS 79 CO 0.00 0.00 0.00 0.08 -1.11 0.00 0.00 177.40 176.37 3i28 s VAL 80 N -3.13 2.33 -0.07 -0.18 1.01 -0.34 -5.04 120.40 114.98 3i28 s VAL 80 Ca 0.21 -2.32 -0.00 0.00 0.00 0.00 0.00 61.98 59.87 3i28 s VAL 80 Cb -0.09 -2.42 -0.03 0.00 0.00 0.00 0.00 36.38 33.83 3i28 s VAL 80 CO 0.26 -0.33 -0.04 0.00 0.00 0.00 0.00 175.10 174.99 3i28 s LEU 82 N -0.86 4.21 1.00 0.00 2.34 -1.26 -5.05 118.68 119.05 3i28 s LEU 82 Ca 0.13 1.20 -0.16 0.00 0.06 0.00 0.00 54.13 55.37 3i28 s LEU 82 Cb -0.11 -3.73 0.02 0.00 -0.56 0.00 0.00 46.19 41.81 3i28 s LEU 82 CO 0.02 -0.06 0.03 -2.65 -1.06 0.00 0.00 176.35 172.63 3i28 n PRO 83 N 0.17 -0.57 0.01 1.48 -0.02 -1.26 -4.90 135.00 129.92 3i28 n PRO 83 Ca -0.00 -0.14 -0.11 0.00 -2.02 0.00 0.00 63.50 61.23 3i28 n PRO 83 Cb 0.52 -1.65 -0.06 0.00 -0.02 0.00 0.00 33.50 32.29 3i28 n PRO 83 CO 0.00 0.00 0.00 1.57 1.98 0.00 0.00 175.50 179.05 3i28 h LYS 84 N -1.58 0.07 -0.89 -0.52 2.10 -2.04 -3.02 116.57 110.70 3i28 h LYS 84 Ca -0.46 -0.00 -0.61 0.00 -2.00 0.00 0.00 60.65 57.58 3i28 h LYS 84 Cb 1.31 -0.02 -0.33 0.00 -0.90 0.00 0.00 32.23 32.29 3i28 h LYS 84 CO 0.33 0.05 0.23 -1.71 -2.00 0.00 0.00 179.45 176.35 3i28 n ASN 85 N -5.06 6.41 -4.68 7.07 2.85 -1.26 -5.01 115.26 115.59 3i28 n ASN 85 Ca -0.06 -3.77 -0.46 0.00 -0.11 0.00 0.00 54.58 50.18 3i28 n ASN 85 Cb 0.04 -0.73 -0.04 0.00 1.24 0.00 0.00 39.78 40.28 3i28 n ASN 85 CO 0.00 0.00 0.00 0.33 -2.11 0.00 0.00 177.26 175.48 3i28 n PHE 86 N -0.86 2.38 -3.57 1.20 7.35 -1.14 -4.97 117.46 117.86 3i28 n PHE 86 Ca 0.55 0.06 -0.24 0.00 -0.76 0.00 0.00 57.45 57.06 3i28 n PHE 86 Cb 0.81 -2.64 -0.15 0.00 0.35 0.00 0.00 39.48 37.85 3i28 n PHE 86 CO 0.00 0.00 0.00 0.45 -0.76 0.00 0.00 176.76 176.45 3i28 s SER 87 N 2.55 2.20 0.27 -2.13 0.15 -1.26 -5.01 113.70 110.47 3i28 s SER 87 Ca 0.85 -0.59 -0.02 0.00 0.70 0.00 0.00 55.95 56.90 3i28 s SER 87 Cb -0.63 -0.07 0.38 0.00 -1.71 0.00 0.00 66.02 63.99 3i28 s SER 87 CO 0.43 -0.35 1.80 0.40 1.20 0.00 0.00 173.24 176.72 3i28 h ILE 88 N 6.39 1.23 -0.12 6.45 2.04 -1.93 -2.17 117.51 129.39 3i28 h ILE 88 Ca -0.16 -0.87 0.04 0.00 1.00 0.00 0.00 64.86 64.87 3i28 h ILE 88 Cb 1.13 0.73 -0.06 0.00 -0.74 0.00 0.00 36.82 37.88 3i28 h ILE 88 CO 0.31 0.32 -0.35 0.50 0.00 0.00 0.00 178.15 178.92 3i28 h LYS 89 N 0.78 -0.42 -0.69 2.37 1.63 -1.95 -1.93 116.57 116.37 3i28 h LYS 89 Ca 0.17 0.03 0.01 0.00 -0.85 0.00 0.00 60.65 60.00 3i28 h LYS 89 Cb 0.34 0.10 -0.03 0.00 -0.60 0.00 0.00 32.23 32.03 3i28 h LYS 89 CO 0.00 -0.28 0.45 1.49 -3.45 0.00 0.00 179.45 177.67 3i28 h GLU 90 N -0.44 0.91 -0.43 1.90 4.81 -1.92 -1.53 114.58 117.87 3i28 h GLU 90 Ca 0.09 -0.06 0.02 0.00 -0.13 0.00 0.00 59.36 59.28 3i28 h GLU 90 Cb 0.58 -0.20 -0.03 0.00 0.63 0.00 0.00 28.75 29.73 3i28 h GLU 90 CO -0.36 0.60 0.27 0.82 -0.73 0.00 0.00 179.01 179.61 3i28 h ILE 91 N 0.93 1.06 -0.00 2.32 2.04 -1.09 -2.57 117.51 120.20 3i28 h ILE 91 Ca 0.25 -0.18 -0.21 0.00 1.00 0.00 0.00 64.86 65.72 3i28 h ILE 91 Cb -0.10 0.48 -0.01 0.00 -0.74 0.00 0.00 36.82 36.45 3i28 h ILE 91 CO -0.05 0.10 -0.89 -0.26 0.00 0.00 0.00 178.15 177.04 3i28 h PHE 92 N 0.54 0.44 -0.53 1.37 -1.00 -1.20 -2.18 116.94 114.38 3i28 h PHE 92 Ca 0.17 -0.24 0.11 0.00 2.81 0.00 0.00 57.97 60.82 3i28 h PHE 92 Cb -0.01 -0.05 -0.10 0.00 3.61 0.00 0.00 35.95 39.40 3i28 h PHE 92 CO -0.06 1.05 -0.15 -0.44 -1.61 0.00 0.00 178.31 177.10 3i28 h ASP 93 N 0.17 -0.54 -0.19 2.17 5.19 -1.13 0.16 116.42 122.26 3i28 h ASP 93 Ca -0.06 0.16 -0.04 0.00 -0.62 0.00 0.00 57.03 56.47 3i28 h ASP 93 Cb 1.52 0.35 -0.01 0.00 0.18 0.00 0.00 39.33 41.37 3i28 h ASP 93 CO 0.14 -0.19 -0.04 0.50 -3.12 0.00 0.00 179.24 176.53 3i28 h LYS 94 N -0.02 0.36 -0.33 3.56 3.64 -1.37 -2.01 116.57 120.41 3i28 h LYS 94 Ca 0.25 -0.14 0.03 0.00 -1.27 0.00 0.00 60.65 59.53 3i28 h LYS 94 Cb 0.40 -0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 32.17 3i28 h LYS 94 CO -0.56 0.62 0.14 0.00 -2.27 0.00 0.00 179.45 177.38 3i28 h ALA 95 N 0.73 0.39 -0.56 5.00 0.00 -1.10 -0.09 119.26 123.64 3i28 h ALA 95 Ca 0.05 0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.96 3i28 h ALA 95 Cb 0.49 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.23 3i28 h ALA 95 CO 0.02 -0.25 0.25 0.82 0.00 0.00 0.00 179.25 180.09 3i28 h ILE 96 N 0.30 1.21 -0.16 0.00 2.04 -0.96 -2.75 117.51 117.19 3i28 h ILE 96 Ca 0.14 -0.63 -0.12 0.00 1.00 0.00 0.00 64.86 65.26 3i28 h ILE 96 Cb 0.09 0.59 -0.01 0.00 -0.74 0.00 0.00 36.82 36.75 3i28 h ILE 96 CO -0.12 0.25 -0.40 -1.28 0.00 0.00 0.00 178.15 176.59 3i28 h SER 97 N 0.75 0.38 0.40 1.72 0.87 -1.09 -2.94 113.55 113.64 3i28 h SER 97 Ca 0.19 -0.16 -0.07 0.00 -1.23 0.00 0.00 61.79 60.52 3i28 h SER 97 Cb 0.16 -0.11 -0.01 0.00 -0.44 0.00 0.00 62.40 62.00 3i28 h SER 97 CO -0.02 0.75 -0.33 0.00 -0.53 0.00 0.00 176.83 176.70 3i28 h ALA 98 N 1.27 1.37 -2.37 6.23 0.00 -0.74 -3.44 119.26 121.58 3i28 h ALA 98 Ca 0.03 -0.30 -0.54 0.00 0.00 0.00 0.00 54.91 54.10 3i28 h ALA 98 Cb 0.84 -0.05 0.01 0.00 0.00 0.00 0.00 17.79 18.59 3i28 h ALA 98 CO 0.07 0.41 1.05 0.50 0.00 0.00 0.00 179.25 181.28 3i28 s ARG 99 N -4.18 4.19 0.29 0.00 3.52 -1.07 -4.52 118.95 117.18 3i28 s ARG 99 Ca -0.03 2.31 0.10 0.00 -0.13 0.00 0.00 55.73 57.98 3i28 s ARG 99 Cb 0.14 -3.80 -0.06 0.00 -1.56 0.00 0.00 34.95 29.67 3i28 s ARG 99 CO 0.70 -0.80 -0.13 0.21 -0.81 0.00 0.00 175.30 174.47 3i28 s LYS 100 N 3.35 1.64 0.26 5.12 2.36 0.52 -4.89 119.74 128.10 3i28 s LYS 100 Ca 0.75 -1.80 -0.30 0.00 -2.55 0.00 0.00 55.97 52.08 3i28 s LYS 100 Cb -0.38 -1.53 -0.10 0.00 -1.05 0.00 0.00 37.83 34.77 3i28 s LYS 100 CO 0.32 0.19 1.40 0.42 1.55 0.00 0.00 175.35 179.23 3i28 s ILE 101 N -2.71 2.73 -0.80 5.43 1.01 -1.26 -0.65 121.20 124.95 3i28 s ILE 101 Ca 0.30 0.64 -0.24 0.00 0.00 0.00 0.00 60.65 61.34 3i28 s ILE 101 Cb -0.00 -3.41 0.06 0.00 0.01 0.00 0.00 42.46 39.12 3i28 s ILE 101 CO 0.14 0.11 1.22 0.21 0.00 0.00 0.00 174.94 176.62 3i28 s ASN 102 N 0.17 6.30 0.21 3.58 3.84 0.26 -4.79 114.94 124.50 3i28 s ASN 102 Ca 0.57 -1.01 -0.10 0.00 0.21 0.00 0.00 52.86 52.52 3i28 s ASN 102 Cb -0.41 -2.51 0.18 0.00 -0.55 0.00 0.00 41.25 37.96 3i28 s ASN 102 CO 0.45 -1.57 1.87 0.03 -2.79 0.00 0.00 177.10 175.09 3i28 h ARG 103 N 9.71 0.94 -0.36 0.43 2.47 -1.92 -1.73 114.38 123.92 3i28 h ARG 103 Ca -0.12 -0.06 -0.06 0.00 -1.26 0.00 0.00 59.98 58.48 3i28 h ARG 103 Cb 1.04 -0.21 -0.02 0.00 -1.65 0.00 0.00 29.97 29.13 3i28 h ARG 103 CO 1.27 0.62 -0.02 -1.35 0.56 0.00 0.00 179.97 181.05 3i28 h PRO 104 N 0.97 0.58 -0.05 0.04 0.11 -1.99 -0.05 132.00 131.61 3i28 h PRO 104 Ca 0.28 -0.14 -0.01 0.00 0.11 0.00 0.00 66.00 66.24 3i28 h PRO 104 Cb -0.06 -0.08 -0.00 0.00 0.11 0.00 0.00 31.00 30.97 3i28 h PRO 104 CO -0.08 0.62 -0.03 1.98 -0.21 0.00 0.00 178.00 180.29 3i28 h MET 105 N 0.55 0.11 -0.62 1.05 4.05 -1.72 -1.80 114.93 116.55 3i28 h MET 105 Ca 0.11 -0.05 0.13 0.00 -0.28 0.00 0.00 59.70 59.61 3i28 h MET 105 Cb 0.39 -0.00 -0.10 0.00 -0.80 0.00 0.00 31.60 31.08 3i28 h MET 105 CO 0.02 0.49 0.03 1.25 0.23 0.00 0.00 176.91 178.93 3i28 h LEU 106 N -0.28 -0.22 -0.77 3.39 6.46 -1.22 -0.57 115.31 122.10 3i28 h LEU 106 Ca 0.01 0.15 0.02 0.00 -0.12 0.00 0.00 57.88 57.94 3i28 h LEU 106 Cb 0.46 0.25 -0.04 0.00 -0.73 0.00 0.00 40.66 40.60 3i28 h LEU 106 CO 0.01 -0.09 0.50 -0.61 -0.62 0.00 0.00 178.44 177.63 3i28 h GLN 107 N 0.14 0.97 -0.40 1.25 4.15 -0.82 0.04 115.11 120.44 3i28 h GLN 107 Ca 0.32 -0.06 -0.00 0.00 0.77 0.00 0.00 58.65 59.69 3i28 h GLN 107 Cb 0.52 -0.22 -0.02 0.00 0.21 0.00 0.00 27.48 27.98 3i28 h GLN 107 CO -0.51 0.64 0.24 0.00 -1.93 0.00 0.00 178.83 177.28 3i28 h ALA 108 N 1.31 0.51 -0.99 3.38 0.00 -0.48 -1.62 119.26 121.37 3i28 h ALA 108 Ca 0.30 -0.05 0.08 0.00 0.00 0.00 0.00 54.91 55.24 3i28 h ALA 108 Cb -0.04 -0.16 -0.07 0.00 0.00 0.00 0.00 17.79 17.52 3i28 h ALA 108 CO -0.09 -0.01 0.64 0.00 0.00 0.00 0.00 179.25 179.79 3i28 h ALA 109 N 1.11 1.45 -0.54 0.00 0.00 -0.03 -1.29 119.26 119.97 3i28 h ALA 109 Ca 0.14 -0.01 -0.12 0.00 0.00 0.00 0.00 54.91 54.92 3i28 h ALA 109 Cb -0.01 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.48 3i28 h ALA 109 CO -0.03 0.38 -0.13 -0.07 0.00 0.00 0.00 179.25 179.41 3i28 h LEU 110 N 1.12 1.04 -0.38 0.00 -0.00 -0.64 -2.08 115.31 114.37 3i28 h LEU 110 Ca 0.44 -0.35 -0.01 0.00 -0.00 0.00 0.00 57.88 57.96 3i28 h LEU 110 Cb 0.24 -0.28 -0.02 0.00 -0.00 0.00 0.00 40.66 40.60 3i28 h LEU 110 CO -0.19 1.16 0.20 -0.03 -0.00 0.00 0.00 178.44 179.58 3i28 h MET 111 N 0.91 0.53 -0.47 1.13 4.05 -0.61 -0.59 114.93 119.89 3i28 h MET 111 Ca 0.14 -0.07 -0.01 0.00 -0.28 0.00 0.00 59.70 59.48 3i28 h MET 111 Cb 0.70 -0.10 -0.02 0.00 -0.80 0.00 0.00 31.60 31.38 3i28 h MET 111 CO 0.05 0.45 0.26 -0.07 0.23 0.00 0.00 176.91 177.83 3i28 h LEU 112 N 0.48 0.58 -0.51 3.39 3.38 -1.13 -0.25 115.31 121.25 3i28 h LEU 112 Ca 0.13 -0.09 -0.03 0.00 0.09 0.00 0.00 57.88 57.98 3i28 h LEU 112 Cb 0.08 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.66 3i28 h LEU 112 CO -0.02 0.51 0.20 -0.09 0.09 0.00 0.00 178.44 179.13 3i28 h ARG 113 N 0.62 0.75 -0.89 1.13 2.43 -1.28 0.15 114.38 117.29 3i28 h ARG 113 Ca 0.16 -0.14 0.07 0.00 -0.81 0.00 0.00 59.98 59.27 3i28 h ARG 113 Cb 0.05 -0.12 -0.06 0.00 -0.42 0.00 0.00 29.97 29.42 3i28 h ARG 113 CO -0.03 0.67 0.58 -0.22 -1.51 0.00 0.00 179.97 179.46 3i28 h LYS 114 N 0.68 0.95 -0.16 0.20 3.64 -0.71 0.07 116.57 121.24 3i28 h LYS 114 Ca 0.17 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.49 3i28 h LYS 114 Cb 0.19 -0.21 0.00 0.00 -0.41 0.00 0.00 32.23 31.80 3i28 h LYS 114 CO -0.01 0.63 0.00 1.63 -2.27 0.00 0.00 179.45 179.42 3i28 n LYS 115 N -4.50 1.39 0.00 1.90 4.76 -0.14 -4.88 118.16 116.70 3i28 n LYS 115 Ca 0.14 -0.61 0.00 0.00 -2.87 0.00 0.00 58.31 54.97 3i28 n LYS 115 Cb 0.22 -1.17 0.00 0.00 -1.84 0.00 0.00 35.03 32.24 3i28 n LYS 115 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3i28 n GLY 116 N 0.81 0.82 3.78 0.72 0.00 0.01 -5.05 105.19 106.29 3i28 n GLY 116 Ca 0.08 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.73 3i28 n GLY 116 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3i28 s PHE 117 N -2.00 3.26 -0.04 1.61 0.40 0.00 -4.69 117.98 116.52 3i28 s PHE 117 Ca 0.00 1.64 -0.22 0.00 -0.60 0.00 0.00 56.93 57.75 3i28 s PHE 117 Cb 0.00 -3.14 -0.05 0.00 0.51 0.00 0.00 43.02 40.34 3i28 s PHE 117 CO 0.00 -0.66 0.64 0.99 0.70 0.00 0.00 175.22 176.89 3i28 s THR 118 N -1.64 4.98 0.16 0.64 2.01 -0.85 -4.22 115.64 116.73 3i28 s THR 118 Ca 0.57 1.33 0.09 0.00 0.31 0.00 0.00 61.69 64.00 3i28 s THR 118 Cb -0.23 -3.98 -0.04 0.00 0.01 0.00 0.00 72.50 68.26 3i28 s THR 118 CO 0.28 0.33 -0.20 0.42 -0.69 0.00 0.00 174.62 174.77 3i28 s THR 119 N 0.32 1.96 0.04 -0.82 -4.23 -1.26 -1.61 115.64 110.03 3i28 s THR 119 Ca 0.34 -1.90 -0.20 0.00 -1.18 0.00 0.00 61.69 58.75 3i28 s THR 119 Cb -0.18 -1.89 0.04 0.00 1.34 0.00 0.00 72.50 71.82 3i28 s THR 119 CO 0.17 -0.22 0.45 0.00 -0.54 0.00 0.00 174.62 174.48 3i28 s ALA 120 N -1.82 -1.13 -0.17 3.99 0.00 -0.80 -1.67 121.76 120.17 3i28 s ALA 120 Ca 0.16 0.45 -0.04 0.00 0.00 0.00 0.00 51.96 52.52 3i28 s ALA 120 Cb -0.07 0.32 -0.03 0.00 0.00 0.00 0.00 23.12 23.35 3i28 s ALA 120 CO 0.07 -0.45 -0.03 0.42 0.00 0.00 0.00 175.76 175.77 3i28 s ILE 121 N -2.33 3.91 -0.21 0.00 1.01 -0.60 -0.92 121.20 122.06 3i28 s ILE 121 Ca -0.06 -0.35 0.01 0.00 0.00 0.00 0.00 60.65 60.25 3i28 s ILE 121 Cb -0.01 -2.72 0.03 0.00 0.01 0.00 0.00 42.46 39.76 3i28 s ILE 121 CO -0.01 0.48 -0.15 -0.22 0.00 0.00 0.00 174.94 175.04 3i28 s LEU 122 N 0.50 2.65 -0.01 2.97 0.20 -0.39 -0.14 118.68 124.46 3i28 s LEU 122 Ca -0.03 -0.85 0.01 0.00 0.69 0.00 0.00 54.13 53.95 3i28 s LEU 122 Cb -0.14 -1.54 0.00 0.00 -0.43 0.00 0.00 46.19 44.08 3i28 s LEU 122 CO 0.03 -0.07 -0.02 0.28 -0.29 0.00 0.00 176.35 176.28 3i28 s THR 123 N 1.26 0.17 -0.37 3.68 -1.32 -0.61 -4.11 115.64 114.33 3i28 s THR 123 Ca 0.01 -0.05 -0.29 0.00 -1.21 0.00 0.00 61.69 60.15 3i28 s THR 123 Cb -0.15 -0.17 0.01 0.00 -1.51 0.00 0.00 72.50 70.68 3i28 s THR 123 CO -0.09 0.07 1.23 0.20 -2.21 0.00 0.00 174.62 173.82 3i28 s ASN 124 N 0.19 6.65 0.35 8.08 0.01 -1.26 -1.22 114.94 127.74 3i28 s ASN 124 Ca -0.02 0.90 0.02 0.00 -0.71 0.00 0.00 52.86 53.06 3i28 s ASN 124 Cb -0.04 -2.54 -0.01 0.00 0.41 0.00 0.00 41.25 39.07 3i28 s ASN 124 CO -0.01 -1.15 0.41 1.07 -1.51 0.00 0.00 177.10 175.92 3i28 n THR 125 N 6.47 0.00 -4.36 1.60 5.66 -1.26 -4.93 114.28 117.46 3i28 n THR 125 Ca 0.14 -2.13 -0.18 0.00 -3.05 0.00 0.00 64.05 58.83 3i28 n THR 125 Cb 0.48 1.19 -0.10 0.00 -1.55 0.00 0.00 70.33 70.34 3i28 n THR 125 CO 0.00 0.00 0.00 -1.66 -3.05 0.00 0.00 175.07 170.36 3i28 s TRP 126 N -3.07 1.68 -0.37 1.09 -2.14 -1.26 -3.65 118.94 111.22 3i28 s TRP 126 Ca 0.35 -0.79 -0.27 0.00 2.66 0.00 0.00 56.10 58.04 3i28 s TRP 126 Cb 0.00 -0.94 0.02 0.00 -3.10 0.00 0.00 33.47 29.45 3i28 s TRP 126 CO 0.25 0.12 1.00 -0.51 -2.66 0.00 0.00 176.95 175.16 3i28 s LEU 127 N -3.34 3.92 -0.42 -4.66 1.43 -1.26 -4.98 118.68 109.37 3i28 s LEU 127 Ca 0.27 0.69 -0.14 0.00 -1.03 0.00 0.00 54.13 53.92 3i28 s LEU 127 Cb 0.04 -3.39 0.04 0.00 0.03 0.00 0.00 46.19 42.91 3i28 s LEU 127 CO 0.09 -0.93 0.31 -0.62 0.23 0.00 0.00 176.35 175.42 3i28 s ASP 128 N 1.91 6.04 -0.15 2.29 -1.08 -1.26 -1.23 116.67 123.19 3i28 s ASP 128 Ca 0.42 -1.05 0.16 0.00 -0.52 0.00 0.00 52.55 51.56 3i28 s ASP 128 Cb -0.11 -2.14 0.47 0.00 -1.46 0.00 0.00 42.92 39.68 3i28 s ASP 128 CO 0.20 -0.49 1.37 -0.90 0.52 0.00 0.00 175.17 175.87 3i28 n ASP 129 N 5.13 3.61 -4.72 -0.34 5.75 -1.26 -4.85 116.55 119.87 3i28 n ASP 129 Ca -0.11 -2.87 -0.34 0.00 -0.01 0.00 0.00 54.79 51.46 3i28 n ASP 129 Cb 0.46 -0.48 0.09 0.00 -1.03 0.00 0.00 41.12 40.16 3i28 n ASP 129 CO 0.00 0.00 0.00 -0.13 -0.11 0.00 0.00 177.20 176.96 3i28 s ARG 130 N -2.55 2.14 0.51 0.11 0.52 -1.26 -4.91 118.95 113.51 3i28 s ARG 130 Ca 0.38 1.74 0.19 0.00 -0.52 0.00 0.00 55.73 57.52 3i28 s ARG 130 Cb 0.30 -1.84 1.28 0.00 0.52 0.00 0.00 34.95 35.21 3i28 s ARG 130 CO 0.09 -1.83 2.07 0.00 0.02 0.00 0.00 175.30 175.65 3i28 h ALA 131 N -0.32 2.19 -0.61 2.13 0.00 -2.05 -2.20 119.26 118.39 3i28 h ALA 131 Ca -0.47 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.36 3i28 h ALA 131 Cb 1.29 -0.00 -0.04 0.00 0.00 0.00 0.00 17.79 19.04 3i28 h ALA 131 CO 0.50 -0.26 0.09 -0.85 0.00 0.00 0.00 179.25 178.72 3i28 n GLU 132 N -4.47 4.44 0.29 0.00 0.00 -1.26 -4.62 120.64 115.03 3i28 n GLU 132 Ca 0.04 -3.03 0.16 0.00 0.00 0.00 0.00 57.16 54.33 3i28 n GLU 132 Cb 0.32 -2.23 0.95 0.00 0.00 0.00 0.00 31.44 30.48 3i28 n GLU 132 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 177.13 177.20 3i28 h ARG 133 N 3.47 0.00 -0.16 3.44 0.11 -1.72 -2.83 114.38 116.69 3i28 h ARG 133 Ca 0.08 0.00 -0.00 0.00 0.10 0.00 0.00 59.98 60.16 3i28 h ARG 133 Cb 2.06 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 33.13 3i28 h ARG 133 CO 0.56 0.00 0.09 0.22 0.10 0.00 0.00 179.97 180.94 3i28 h ASP 134 N 0.00 0.18 -0.36 0.08 -0.00 -1.85 -1.79 116.42 112.68 3i28 h ASP 134 Ca 0.01 -0.01 0.04 0.00 -0.00 0.00 0.00 57.03 57.07 3i28 h ASP 134 Cb 0.07 -0.05 -0.04 0.00 -0.00 0.00 0.00 39.33 39.31 3i28 h ASP 134 CO -0.00 0.15 0.14 1.23 -0.00 0.00 0.00 179.24 180.75 3i28 h GLY 135 N 0.25 0.46 0.97 -0.78 0.00 -1.90 0.11 103.07 102.18 3i28 h GLY 135 Ca 0.06 -0.08 -0.06 0.00 0.00 0.00 0.00 47.33 47.24 3i28 h GLY 135 CO -0.01 0.04 0.03 -2.00 0.00 0.00 0.00 176.54 174.60 3i28 h LEU 136 N 0.29 0.74 -0.63 3.11 6.46 -1.62 -2.13 115.31 121.53 3i28 h LEU 136 Ca 0.16 -0.29 0.10 0.00 -0.12 0.00 0.00 57.88 57.74 3i28 h LEU 136 Cb 0.12 -0.20 -0.08 0.00 -0.73 0.00 0.00 40.66 39.78 3i28 h LEU 136 CO -0.15 0.84 0.22 0.00 -0.62 0.00 0.00 178.44 178.73 3i28 h ALA 137 N 0.92 0.81 -0.69 1.25 0.00 -0.78 -0.37 119.26 120.41 3i28 h ALA 137 Ca 0.13 0.10 -0.06 0.00 0.00 0.00 0.00 54.91 55.08 3i28 h ALA 137 Cb 0.44 0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.29 3i28 h ALA 137 CO 0.02 -0.22 0.19 1.96 0.00 0.00 0.00 179.25 181.20 3i28 h GLN 138 N 0.38 1.07 0.20 0.00 4.20 -0.61 -2.02 115.11 118.34 3i28 h GLN 138 Ca 0.33 -0.23 -0.01 0.00 0.06 0.00 0.00 58.65 58.79 3i28 h GLN 138 Cb 0.43 -0.15 0.00 0.00 0.30 0.00 0.00 27.48 28.06 3i28 h GLN 138 CO -0.34 0.93 -0.10 1.25 -0.67 0.00 0.00 178.83 179.90 3i28 h LEU 139 N 1.02 -0.23 -0.84 1.46 5.85 -0.45 -2.37 115.31 119.76 3i28 h LEU 139 Ca 0.22 -0.00 0.02 0.00 0.84 0.00 0.00 57.88 58.96 3i28 h LEU 139 Cb 0.32 0.06 -0.05 0.00 0.37 0.00 0.00 40.66 41.37 3i28 h LEU 139 CO -0.00 -0.15 0.55 0.24 -0.34 0.00 0.00 178.44 178.73 3i28 h MET 140 N -0.28 1.06 -0.10 1.25 2.86 -1.09 -2.11 114.93 116.51 3i28 h MET 140 Ca -0.03 -0.06 0.02 0.00 -2.06 0.00 0.00 59.70 57.57 3i28 h MET 140 Cb 0.22 -0.24 -0.02 0.00 0.06 0.00 0.00 31.60 31.62 3i28 h MET 140 CO 0.04 0.70 -0.03 0.00 1.06 0.00 0.00 176.91 178.69 3i28 h GLU 142 N -0.00 0.70 0.06 0.00 4.81 -1.14 -3.16 114.58 115.86 3i28 h GLU 142 Ca 0.05 -0.04 -0.00 0.00 -0.13 0.00 0.00 59.36 59.23 3i28 h GLU 142 Cb 0.08 -0.16 0.00 0.00 0.63 0.00 0.00 28.75 29.30 3i28 h GLU 142 CO -0.11 0.46 -0.03 -0.07 -0.73 0.00 0.00 179.01 178.54 3i28 h LEU 143 N 0.72 -0.07 -1.94 1.64 3.38 -1.17 -3.36 115.31 114.52 3i28 h LEU 143 Ca 0.22 -0.38 -0.02 0.00 0.09 0.00 0.00 57.88 57.80 3i28 h LEU 143 Cb -0.02 0.02 -0.00 0.00 0.09 0.00 0.00 40.66 40.75 3i28 h LEU 143 CO -0.08 0.35 -0.07 0.50 0.09 0.00 0.00 178.44 179.23 3i28 h LYS 144 N -0.51 0.00 0.00 1.13 3.64 -0.60 -1.43 116.57 118.80 3i28 h LYS 144 Ca -0.01 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.37 3i28 h LYS 144 Cb 0.44 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.26 3i28 h LYS 144 CO 0.01 0.07 0.00 0.00 -2.27 0.00 0.00 179.45 177.27 3i28 h MET 145 N 0.00 0.00 -0.07 1.90 -0.00 -1.69 -2.45 114.93 112.62 3i28 h MET 145 Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.70 3i28 h MET 145 Cb 0.14 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 31.74 3i28 h MET 145 CO 0.01 0.00 0.00 0.72 -0.00 0.00 0.00 176.91 177.64 3i28 n HIS 146 N -2.91 0.08 -4.36 -0.10 8.25 -0.54 -4.93 115.22 110.71 3i28 n HIS 146 Ca -0.01 -0.04 -0.23 0.00 -0.26 0.00 0.00 57.72 57.18 3i28 n HIS 146 Cb 0.18 0.00 -0.11 0.00 1.12 0.00 0.00 29.99 31.18 3i28 n HIS 146 CO 0.00 0.00 0.00 -0.06 0.64 0.00 0.00 176.34 176.92 3i28 s PHE 147 N -1.92 1.96 0.19 4.41 0.40 -0.92 -4.86 117.98 117.23 3i28 s PHE 147 Ca 0.35 -0.43 -0.01 0.00 -0.60 0.00 0.00 56.93 56.24 3i28 s PHE 147 Cb 0.20 -0.98 0.09 0.00 0.51 0.00 0.00 43.02 42.84 3i28 s PHE 147 CO 0.31 0.37 1.46 -0.44 0.70 0.00 0.00 175.22 177.62 3i28 h ASP 148 N 3.29 0.47 -4.85 1.36 5.19 -1.61 -3.46 116.42 116.80 3i28 h ASP 148 Ca -0.44 -0.30 -0.16 0.00 -0.62 0.00 0.00 57.03 55.52 3i28 h ASP 148 Cb 1.21 -0.14 -0.21 0.00 0.18 0.00 0.00 39.33 40.36 3i28 h ASP 148 CO 0.49 1.02 -0.58 -0.36 -3.12 0.00 0.00 179.24 176.69 3i28 s PHE 149 N -3.67 0.11 -0.13 4.55 0.08 -1.02 -5.03 117.98 112.88 3i28 s PHE 149 Ca -0.06 -0.25 0.00 0.00 0.12 0.00 0.00 56.93 56.75 3i28 s PHE 149 Cb 0.11 -0.09 0.02 0.00 -0.57 0.00 0.00 43.02 42.48 3i28 s PHE 149 CO 0.83 -0.23 -0.12 -1.17 -0.10 0.00 0.00 175.22 174.44 3i28 s LEU 150 N -1.27 1.48 -0.24 -0.37 2.96 -1.26 -1.55 118.68 118.43 3i28 s LEU 150 Ca -0.14 -0.39 -0.03 0.00 -0.22 0.00 0.00 54.13 53.35 3i28 s LEU 150 Cb -0.08 -1.01 0.01 0.00 0.50 0.00 0.00 46.19 45.61 3i28 s LEU 150 CO 0.00 -0.07 -0.04 -0.63 -1.32 0.00 0.00 176.35 174.30 3i28 s ILE 151 N 1.48 3.19 -0.15 6.68 1.01 0.80 -4.97 121.20 129.24 3i28 s ILE 151 Ca 0.03 -0.77 -0.02 0.00 0.00 0.00 0.00 60.65 59.88 3i28 s ILE 151 Cb -0.13 -2.55 -0.02 0.00 0.01 0.00 0.00 42.46 39.77 3i28 s ILE 151 CO -0.08 0.28 -0.08 -1.61 0.00 0.00 0.00 174.94 173.45 3i28 s GLU 152 N 1.41 3.52 0.27 2.79 2.02 -1.26 -1.58 118.70 125.87 3i28 s GLU 152 Ca 0.03 -0.60 -0.00 0.00 0.02 0.00 0.00 54.97 54.41 3i28 s GLU 152 Cb -0.16 -2.79 0.60 0.00 0.10 0.00 0.00 34.13 31.88 3i28 s GLU 152 CO -0.03 0.19 1.70 0.66 0.02 0.00 0.00 175.26 177.80 3i28 h SER 153 N 6.82 0.24 1.06 -0.19 4.64 -1.36 -1.26 113.55 123.50 3i28 h SER 153 Ca -0.29 0.14 0.00 0.00 -0.47 0.00 0.00 61.79 61.17 3i28 h SER 153 Cb 1.20 0.14 0.00 0.00 -0.31 0.00 0.00 62.40 63.43 3i28 h SER 153 CO 0.59 0.02 0.00 0.00 -0.87 0.00 0.00 176.83 176.57 3i28 h GLN 155 N 0.00 0.18 -0.00 0.00 1.08 -1.52 -3.34 115.11 111.50 3i28 h GLN 155 Ca 0.00 -0.30 0.00 0.00 -1.45 0.00 0.00 58.65 56.90 3i28 h GLN 155 Cb 0.53 0.11 0.00 0.00 -0.05 0.00 0.00 27.48 28.07 3i28 h GLN 155 CO 0.00 0.96 -0.45 1.33 -0.95 0.00 0.00 178.83 179.72 3i28 n VAL 156 N -3.33 0.00 -1.77 -0.54 0.24 -0.93 -4.96 118.33 107.04 3i28 n VAL 156 Ca -0.23 -0.06 -0.11 0.00 -2.04 0.00 0.00 64.34 61.90 3i28 n VAL 156 Cb 1.05 0.40 -0.03 0.00 -1.47 0.00 0.00 33.84 33.80 3i28 n VAL 156 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3i28 n GLY 157 N 1.44 0.56 3.12 7.63 0.00 -0.03 -5.01 105.19 112.90 3i28 n GLY 157 Ca 0.08 -0.49 -0.11 0.00 0.00 0.00 0.00 46.02 45.50 3i28 n GLY 157 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3i28 s MET 158 N -3.74 0.69 0.01 1.61 -1.94 -1.17 -4.91 119.30 109.85 3i28 s MET 158 Ca 0.00 -1.08 0.01 0.00 -1.71 0.00 0.00 55.69 52.91 3i28 s MET 158 Cb 0.00 -0.21 -0.01 0.00 2.01 0.00 0.00 34.83 36.62 3i28 s MET 158 CO 0.00 0.00 -0.05 0.54 -0.01 0.00 0.00 175.02 175.50 3i28 s VAL 159 N -2.70 0.38 0.39 -6.03 0.11 -1.26 -4.34 120.40 106.94 3i28 s VAL 159 Ca 0.02 -0.51 -0.27 0.00 -2.93 0.00 0.00 61.98 58.29 3i28 s VAL 159 Cb -0.01 -0.38 -0.10 0.00 -1.53 0.00 0.00 36.38 34.36 3i28 s VAL 159 CO -0.03 -0.09 1.41 -0.54 -3.33 0.00 0.00 175.10 172.52 3i28 s LYS 160 N -0.64 4.06 -0.48 1.54 1.02 -1.26 0.18 119.74 124.15 3i28 s LYS 160 Ca -0.03 2.41 0.02 0.00 0.02 0.00 0.00 55.97 58.38 3i28 s LYS 160 Cb -0.05 -2.90 0.57 0.00 -0.52 0.00 0.00 37.83 34.93 3i28 s LYS 160 CO -0.00 -0.51 1.92 -0.35 -0.92 0.00 0.00 175.35 175.49 3i28 n PRO 161 N 0.36 2.30 -2.01 -1.68 -0.04 -1.26 -5.03 135.00 127.64 3i28 n PRO 161 Ca 0.02 -2.90 -0.42 0.00 -0.04 0.00 0.00 63.50 60.16 3i28 n PRO 161 Cb 0.41 -2.14 -0.03 0.00 -0.04 0.00 0.00 33.50 31.70 3i28 n PRO 161 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 3i28 s GLU 162 N -3.25 4.26 0.50 0.54 2.02 0.13 -4.84 118.70 118.06 3i28 s GLU 162 Ca 0.56 2.29 0.17 0.00 0.02 0.00 0.00 54.97 58.00 3i28 s GLU 162 Cb 0.46 -3.14 1.23 0.00 0.10 0.00 0.00 34.13 32.78 3i28 s GLU 162 CO 0.07 -0.47 2.08 -1.35 0.02 0.00 0.00 175.26 175.61 3i28 h PRO 163 N 5.78 0.11 -0.27 0.39 0.11 -1.99 -2.49 132.00 133.65 3i28 h PRO 163 Ca -0.44 -0.01 -0.03 0.00 0.11 0.00 0.00 66.00 65.63 3i28 h PRO 163 Cb 1.21 -0.02 -0.01 0.00 0.11 0.00 0.00 31.00 32.28 3i28 h PRO 163 CO 0.83 0.07 0.02 -0.56 -0.21 0.00 0.00 178.00 178.15 3i28 h GLN 164 N 0.11 0.39 -0.05 1.05 3.07 -1.93 -2.38 115.11 115.37 3i28 h GLN 164 Ca 0.11 -0.07 -0.12 0.00 0.09 0.00 0.00 58.65 58.66 3i28 h GLN 164 Cb 0.30 -0.07 -0.01 0.00 0.08 0.00 0.00 27.48 27.78 3i28 h GLN 164 CO -0.01 0.41 -0.51 0.97 0.09 0.00 0.00 178.83 179.77 3i28 h ILE 165 N 0.39 1.36 -0.39 1.86 2.10 -1.75 -0.91 117.51 120.16 3i28 h ILE 165 Ca 0.09 -1.76 -0.14 0.00 1.08 0.00 0.00 64.86 64.13 3i28 h ILE 165 Cb 0.23 1.89 -0.01 0.00 -1.09 0.00 0.00 36.82 37.84 3i28 h ILE 165 CO 0.00 0.52 -0.31 1.88 -1.08 0.00 0.00 178.15 179.16 3i28 h TYR 166 N 0.11 1.01 -0.68 2.19 -1.99 -1.55 0.52 116.97 116.58 3i28 h TYR 166 Ca 0.00 -0.27 -0.06 0.00 2.00 0.00 0.00 58.73 60.40 3i28 h TYR 166 Cb 0.94 -0.22 -0.03 0.00 2.00 0.00 0.00 36.73 39.42 3i28 h TYR 166 CO 0.01 1.06 0.19 0.87 -0.00 0.00 0.00 178.16 180.29 3i28 h LYS 167 N 0.72 1.07 -0.72 4.88 1.79 -1.31 -1.89 116.57 121.11 3i28 h LYS 167 Ca 0.08 -0.24 -0.07 0.00 -2.18 0.00 0.00 60.65 58.25 3i28 h LYS 167 Cb 0.87 -0.15 -0.03 0.00 -1.58 0.00 0.00 32.23 31.34 3i28 h LYS 167 CO 0.08 0.93 0.20 0.35 -1.08 0.00 0.00 179.45 179.93 3i28 h PHE 168 N 1.02 1.20 0.08 -1.35 3.57 -0.80 -1.40 116.94 119.27 3i28 h PHE 168 Ca 0.22 -0.13 0.01 0.00 3.53 0.00 0.00 57.97 61.59 3i28 h PHE 168 Cb 0.33 -0.34 -0.01 0.00 2.79 0.00 0.00 35.95 38.71 3i28 h PHE 168 CO 0.02 0.96 -0.10 1.25 -2.23 0.00 0.00 178.31 178.22 3i28 h LEU 169 N 1.09 -0.27 -1.09 0.59 5.85 -0.65 -1.27 115.31 119.57 3i28 h LEU 169 Ca 0.23 0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.98 3i28 h LEU 169 Cb 0.35 0.10 -0.04 0.00 0.37 0.00 0.00 40.66 41.43 3i28 h LEU 169 CO -0.00 -0.15 0.58 -0.07 -0.34 0.00 0.00 178.44 178.46 3i28 h LEU 170 N -0.21 1.05 -0.34 2.25 4.07 -1.19 0.11 115.31 121.05 3i28 h LEU 170 Ca 0.01 -0.04 -0.02 0.00 0.08 0.00 0.00 57.88 57.92 3i28 h LEU 170 Cb 0.21 -0.26 -0.01 0.00 1.08 0.00 0.00 40.66 41.68 3i28 h LEU 170 CO -0.04 0.77 0.14 -0.78 -1.08 0.00 0.00 178.44 177.45 3i28 h ASP 171 N 1.23 0.46 0.63 -0.43 3.58 -1.04 -0.13 116.42 120.71 3i28 h ASP 171 Ca 0.33 -0.16 -0.15 0.00 0.42 0.00 0.00 57.03 57.47 3i28 h ASP 171 Cb -0.11 -0.12 -0.02 0.00 1.72 0.00 0.00 39.33 40.80 3i28 h ASP 171 CO -0.07 0.49 -0.70 0.00 -2.88 0.00 0.00 179.24 176.08 3i28 h THR 172 N 0.40 1.48 0.00 2.25 1.03 -0.64 -2.40 112.91 115.03 3i28 h THR 172 Ca 0.11 -2.33 0.00 0.00 -0.01 0.00 0.00 66.41 64.18 3i28 h THR 172 Cb 0.17 2.25 0.00 0.00 -1.07 0.00 0.00 68.15 69.50 3i28 h THR 172 CO -0.01 0.67 0.00 -0.07 -0.01 0.00 0.00 175.52 176.10 3i28 h LEU 173 N 0.04 0.00 -2.16 0.00 4.07 -0.71 -3.47 115.31 113.08 3i28 h LEU 173 Ca -0.01 0.00 -0.48 0.00 0.08 0.00 0.00 57.88 57.47 3i28 h LEU 173 Cb 1.23 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 42.96 3i28 h LEU 173 CO 0.10 0.00 -0.89 0.29 -1.08 0.00 0.00 178.44 176.85 3i28 n LYS 174 N -2.98 -3.07 -3.94 1.13 5.02 -0.09 -4.98 118.16 109.26 3i28 n LYS 174 Ca -0.00 0.44 -0.09 0.00 -2.02 0.00 0.00 58.31 56.64 3i28 n LYS 174 Cb 0.24 -4.50 -0.09 0.00 -0.02 0.00 0.00 35.03 30.66 3i28 n LYS 174 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3i28 s ALA 175 N -3.83 0.00 0.29 7.82 0.00 -1.07 -5.07 121.76 119.91 3i28 s ALA 175 Ca 0.10 -0.71 -0.09 0.00 0.00 0.00 0.00 51.96 51.26 3i28 s ALA 175 Cb -0.04 0.33 -0.07 0.00 0.00 0.00 0.00 23.12 23.35 3i28 s ALA 175 CO 0.88 -0.39 0.62 -1.54 0.00 0.00 0.00 175.76 175.32 3i28 s SER 176 N -2.53 6.57 0.27 0.00 1.04 -1.26 -4.75 113.70 113.04 3i28 s SER 176 Ca 0.01 0.95 -0.01 0.00 0.48 0.00 0.00 55.95 57.37 3i28 s SER 176 Cb 0.03 -2.24 0.58 0.00 0.10 0.00 0.00 66.02 64.49 3i28 s SER 176 CO -0.08 -0.19 1.68 -0.65 0.98 0.00 0.00 173.24 174.98 3i28 h PRO 177 N 2.00 0.29 0.00 4.02 0.11 -1.90 0.09 132.00 136.62 3i28 h PRO 177 Ca -0.47 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.62 3i28 h PRO 177 Cb 1.18 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.22 3i28 h PRO 177 CO 0.67 0.20 0.00 -1.13 -0.21 0.00 0.00 178.00 177.52 3i28 n SER 178 N -5.13 0.41 -0.51 -2.05 3.41 -1.25 -1.53 113.62 106.96 3i28 n SER 178 Ca 0.18 0.63 0.13 0.00 -0.26 0.00 0.00 58.87 59.56 3i28 n SER 178 Cb 0.55 -0.71 0.43 0.00 -0.26 0.00 0.00 64.21 64.22 3i28 n SER 178 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3i28 n GLU 179 N -1.99 1.63 -5.29 4.33 1.02 0.02 -4.82 120.64 115.54 3i28 n GLU 179 Ca 0.01 -1.03 -0.31 0.00 -0.02 0.00 0.00 57.16 55.80 3i28 n GLU 179 Cb 0.13 -1.48 -0.16 0.00 -0.02 0.00 0.00 31.44 29.91 3i28 n GLU 179 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 3i28 s VAL 180 N -2.09 2.05 -0.11 2.62 1.01 -0.58 -1.10 120.40 122.20 3i28 s VAL 180 Ca 0.34 -1.09 -0.04 0.00 0.00 0.00 0.00 61.98 61.19 3i28 s VAL 180 Cb 0.21 -1.71 -0.04 0.00 0.00 0.00 0.00 36.38 34.84 3i28 s VAL 180 CO 0.36 0.57 0.04 -0.69 0.00 0.00 0.00 175.10 175.39 3i28 s VAL 181 N -0.40 4.67 -0.12 2.92 1.01 -0.21 -1.20 120.40 127.06 3i28 s VAL 181 Ca 0.04 -0.10 -0.01 0.00 0.00 0.00 0.00 61.98 61.91 3i28 s VAL 181 Cb -0.12 -3.01 0.03 0.00 0.00 0.00 0.00 36.38 33.28 3i28 s VAL 181 CO 0.01 0.58 -0.06 0.12 0.00 0.00 0.00 175.10 175.75 3i28 s PHE 182 N -0.67 1.47 -0.13 5.22 2.19 0.27 -0.26 117.98 126.08 3i28 s PHE 182 Ca 0.11 -0.78 -0.02 0.00 0.33 0.00 0.00 56.93 56.57 3i28 s PHE 182 Cb -0.12 -1.22 -0.03 0.00 -1.31 0.00 0.00 43.02 40.35 3i28 s PHE 182 CO 0.02 -0.53 -0.05 -0.51 1.83 0.00 0.00 175.22 175.99 3i28 s LEU 183 N 1.71 3.23 0.01 6.12 1.43 0.06 -0.81 118.68 130.44 3i28 s LEU 183 Ca 0.04 -0.09 -0.20 0.00 -1.03 0.00 0.00 54.13 52.85 3i28 s LEU 183 Cb -0.13 -1.76 0.04 0.00 0.03 0.00 0.00 46.19 44.37 3i28 s LEU 183 CO -0.08 0.23 0.44 -0.62 0.23 0.00 0.00 176.35 176.55 3i28 s ASP 184 N 0.00 -0.34 0.00 2.29 -1.08 -0.83 -2.27 116.67 114.44 3i28 s ASP 184 Ca 0.00 0.18 0.25 0.00 -0.52 0.00 0.00 52.55 52.46 3i28 s ASP 184 Cb -0.13 0.42 0.47 0.00 -1.46 0.00 0.00 42.92 42.21 3i28 s ASP 184 CO 0.03 -0.60 1.39 -0.90 0.52 0.00 0.00 175.17 175.61 3i28 n ASP 185 N 0.79 1.53 -4.19 -0.34 5.75 -1.26 -0.52 116.55 118.30 3i28 n ASP 185 Ca -0.19 -1.22 -0.36 0.00 -0.01 0.00 0.00 54.79 53.00 3i28 n ASP 185 Cb 0.58 0.25 -0.13 0.00 -1.03 0.00 0.00 41.12 40.80 3i28 n ASP 185 CO 0.00 0.00 0.00 -0.63 -0.11 0.00 0.00 177.20 176.46 3i28 s ILE 186 N -2.43 3.37 0.28 2.12 1.01 -1.26 -4.74 121.20 119.54 3i28 s ILE 186 Ca 0.23 -1.48 0.01 0.00 0.00 0.00 0.00 60.65 59.41 3i28 s ILE 186 Cb 0.19 -3.03 0.27 0.00 0.01 0.00 0.00 42.46 39.89 3i28 s ILE 186 CO 0.52 -0.30 1.78 1.23 0.00 0.00 0.00 174.94 178.17 3i28 h GLY 187 N 8.10 1.55 1.31 6.18 0.00 -1.98 0.19 103.07 118.42 3i28 h GLY 187 Ca -0.20 -0.32 0.06 0.00 0.00 0.00 0.00 47.33 46.87 3i28 h GLY 187 CO 0.61 0.00 0.32 0.00 0.00 0.00 0.00 176.54 177.47 3i28 h ALA 188 N 1.58 1.93 0.00 3.60 0.00 -2.00 -1.59 119.26 122.77 3i28 h ALA 188 Ca 0.50 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.40 3i28 h ALA 188 Cb 0.68 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.37 3i28 h ALA 188 CO -0.34 -0.02 -0.17 0.09 0.00 0.00 0.00 179.25 178.81 3i28 n ASN 189 N -4.47 0.72 0.08 0.00 3.02 0.04 -3.25 115.26 111.39 3i28 n ASN 189 Ca 0.06 0.44 -0.14 0.00 -0.03 0.00 0.00 54.58 54.91 3i28 n ASN 189 Cb 0.25 -0.51 -0.14 0.00 -0.61 0.00 0.00 39.78 38.77 3i28 n ASN 189 CO 0.00 0.00 0.00 -0.07 -2.62 0.00 0.00 177.26 174.57 3i28 h LEU 190 N 0.00 0.32 -0.48 3.41 3.38 -1.07 -3.39 115.31 117.48 3i28 h LEU 190 Ca 0.00 -0.37 0.10 0.00 0.09 0.00 0.00 57.88 57.69 3i28 h LEU 190 Cb 0.72 -0.11 -0.09 0.00 0.09 0.00 0.00 40.66 41.27 3i28 h LEU 190 CO 0.00 1.30 -0.08 0.50 0.09 0.00 0.00 178.44 180.25 3i28 h LYS 191 N 0.06 0.03 -0.09 1.13 3.64 -1.47 -0.10 116.57 119.76 3i28 h LYS 191 Ca -0.14 -0.00 -0.04 0.00 -1.27 0.00 0.00 60.65 59.19 3i28 h LYS 191 Cb 1.95 -0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 33.75 3i28 h LYS 191 CO 0.18 0.02 -0.14 -1.35 -2.27 0.00 0.00 179.45 175.89 3i28 h PRO 192 N 0.03 0.14 0.09 1.90 0.11 -1.76 0.70 132.00 133.21 3i28 h PRO 192 Ca 0.24 -0.03 -0.00 0.00 0.11 0.00 0.00 66.00 66.31 3i28 h PRO 192 Cb 0.36 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 31.45 3i28 h PRO 192 CO -0.47 0.29 -0.04 0.00 -0.21 0.00 0.00 178.00 177.57 3i28 h ALA 193 N 1.73 -0.12 -0.47 -0.75 0.00 -1.40 -1.53 119.26 116.72 3i28 h ALA 193 Ca 0.03 -0.14 0.04 0.00 0.00 0.00 0.00 54.91 54.84 3i28 h ALA 193 Cb 0.33 0.05 -0.04 0.00 0.00 0.00 0.00 17.79 18.13 3i28 h ALA 193 CO 0.02 -0.44 0.24 -0.09 0.00 0.00 0.00 179.25 178.98 3i28 h ARG 194 N -0.38 0.46 -0.87 0.00 2.43 -0.08 -1.87 114.38 114.07 3i28 h ARG 194 Ca -0.01 -0.03 0.11 0.00 -0.81 0.00 0.00 59.98 59.24 3i28 h ARG 194 Cb 0.32 -0.10 -0.06 0.00 -0.42 0.00 0.00 29.97 29.70 3i28 h ARG 194 CO 0.02 0.30 0.56 0.22 -1.51 0.00 0.00 179.97 179.56 3i28 h ASP 195 N 0.47 0.72 1.00 -3.80 3.58 0.46 0.23 116.42 119.07 3i28 h ASP 195 Ca 0.20 0.03 0.00 0.00 0.42 0.00 0.00 57.03 57.68 3i28 h ASP 195 Cb 0.10 -0.12 0.00 0.00 1.72 0.00 0.00 39.33 41.04 3i28 h ASP 195 CO -0.14 0.40 0.00 -0.11 -2.88 0.00 0.00 179.24 176.51 3i28 n LEU 196 N -4.54 0.20 0.00 2.28 7.94 -0.58 -4.91 117.00 117.40 3i28 n LEU 196 Ca 0.16 0.53 0.00 0.00 -1.11 0.00 0.00 56.01 55.58 3i28 n LEU 196 Cb 0.37 -0.47 0.00 0.00 0.53 0.00 0.00 43.42 43.85 3i28 n LEU 196 CO 0.31 -0.11 0.00 0.61 -1.11 0.00 0.00 177.39 177.09 3i28 n GLY 197 N 1.12 1.00 3.88 -3.96 0.00 0.81 -4.72 105.19 103.32 3i28 n GLY 197 Ca 0.06 -0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.78 3i28 n GLY 197 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 3i28 s MET 198 N -0.97 3.71 0.19 1.61 0.23 -0.77 -3.77 119.30 119.52 3i28 s MET 198 Ca 0.00 0.41 -0.30 0.00 -1.03 0.00 0.00 55.69 54.77 3i28 s MET 198 Cb 0.00 -2.37 -0.08 0.00 -1.53 0.00 0.00 34.83 30.85 3i28 s MET 198 CO 0.00 -0.10 1.19 0.08 -2.03 0.00 0.00 175.02 174.16 3i28 s VAL 199 N -2.51 3.57 0.02 5.16 1.01 -0.34 -4.26 120.40 123.04 3i28 s VAL 199 Ca 0.50 1.33 0.05 0.00 0.00 0.00 0.00 61.98 63.86 3i28 s VAL 199 Cb -0.10 -3.85 -0.02 0.00 0.00 0.00 0.00 36.38 32.41 3i28 s VAL 199 CO 0.36 0.21 -0.16 0.42 0.00 0.00 0.00 175.10 175.93 3i28 s THR 200 N -0.08 1.28 -0.11 3.92 -4.23 -1.26 -0.56 115.64 114.59 3i28 s THR 200 Ca 0.53 -0.88 0.01 0.00 -1.18 0.00 0.00 61.69 60.17 3i28 s THR 200 Cb -0.33 -1.10 0.02 0.00 1.34 0.00 0.00 72.50 72.43 3i28 s THR 200 CO 0.37 0.21 -0.13 -0.63 -0.54 0.00 0.00 174.62 173.90 3i28 s ILE 201 N -0.60 1.36 -0.51 2.99 1.01 0.01 -4.93 121.20 120.52 3i28 s ILE 201 Ca 0.05 -0.53 -0.24 0.00 0.00 0.00 0.00 60.65 59.93 3i28 s ILE 201 Cb -0.07 -1.27 0.04 0.00 0.01 0.00 0.00 42.46 41.16 3i28 s ILE 201 CO 0.00 0.42 0.87 -0.22 0.00 0.00 0.00 174.94 176.01 3i28 s LEU 202 N 1.24 4.22 -0.49 2.97 0.20 -1.26 -1.96 118.68 123.59 3i28 s LEU 202 Ca -0.02 -0.29 -0.25 0.00 0.69 0.00 0.00 54.13 54.25 3i28 s LEU 202 Cb -0.14 -2.87 0.03 0.00 -0.43 0.00 0.00 46.19 42.78 3i28 s LEU 202 CO -0.05 -1.09 0.94 -0.69 -0.29 0.00 0.00 176.35 175.17 3i28 s VAL 203 N 3.63 4.43 0.00 1.68 1.01 0.33 -4.87 120.40 126.60 3i28 s VAL 203 Ca 0.29 0.63 0.00 0.00 0.00 0.00 0.00 61.98 62.90 3i28 s VAL 203 Cb -0.13 -4.48 0.00 0.00 0.00 0.00 0.00 36.38 31.78 3i28 s VAL 203 CO 0.20 -0.93 0.00 0.00 0.00 0.00 0.00 175.10 174.37 3i28 n GLN 204 N 7.31 0.00 -2.86 2.72 6.02 -1.26 -4.35 117.38 124.96 3i28 n GLN 204 Ca 0.05 0.00 -0.40 0.00 -0.01 0.00 0.00 57.00 56.64 3i28 n GLN 204 Cb 0.48 0.00 -0.06 0.00 1.02 0.00 0.00 30.24 31.69 3i28 n GLN 204 CO 0.00 0.00 0.00 0.16 -1.01 0.00 0.00 177.06 176.21 3i28 s ASP 205 N -0.88 7.46 0.22 1.08 -4.77 -1.26 -4.97 116.67 113.56 3i28 s ASP 205 Ca 0.00 1.74 -0.09 0.00 -3.30 0.00 0.00 52.55 50.90 3i28 s ASP 205 Cb 0.00 -2.55 0.21 0.00 -1.09 0.00 0.00 42.92 39.49 3i28 s ASP 205 CO 0.00 0.11 1.88 0.74 0.70 0.00 0.00 175.17 178.60 3i28 h THR 206 N 3.54 1.17 -0.74 2.11 2.02 -1.97 -2.80 112.91 116.24 3i28 h THR 206 Ca -0.45 -0.37 -0.00 0.00 0.77 0.00 0.00 66.41 66.36 3i28 h THR 206 Cb 1.20 0.02 -0.04 0.00 -1.74 0.00 0.00 68.15 67.59 3i28 h THR 206 CO 0.69 0.19 0.45 -0.78 0.37 0.00 0.00 175.52 176.44 3i28 h ASP 207 N 1.06 0.89 -0.43 4.18 1.82 -1.99 -0.66 116.42 121.30 3i28 h ASP 207 Ca 0.31 -0.06 -0.11 0.00 -0.39 0.00 0.00 57.03 56.78 3i28 h ASP 207 Cb -0.07 -0.22 -0.02 0.00 0.68 0.00 0.00 39.33 39.70 3i28 h ASP 207 CO -0.09 0.69 -0.16 0.74 -1.61 0.00 0.00 179.24 178.81 3i28 h THR 208 N 1.02 1.27 -0.70 2.25 2.02 -1.95 -1.10 112.91 115.72 3i28 h THR 208 Ca 0.27 -1.29 -0.00 0.00 0.77 0.00 0.00 66.41 66.15 3i28 h THR 208 Cb -0.05 1.07 -0.03 0.00 -1.74 0.00 0.00 68.15 67.40 3i28 h THR 208 CO -0.05 0.45 0.43 0.00 0.37 0.00 0.00 175.52 176.71 3i28 h ALA 209 N 1.01 0.89 -0.01 6.16 0.00 -1.14 -0.71 119.26 125.46 3i28 h ALA 209 Ca 0.12 -0.08 -0.12 0.00 0.00 0.00 0.00 54.91 54.83 3i28 h ALA 209 Cb 0.70 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 18.19 3i28 h ALA 209 CO 0.05 0.35 -0.58 -0.07 0.00 0.00 0.00 179.25 179.01 3i28 h LEU 210 N 0.95 0.03 0.05 0.00 3.38 -1.00 0.08 115.31 118.80 3i28 h LEU 210 Ca 0.25 -0.02 -0.00 0.00 0.09 0.00 0.00 57.88 58.20 3i28 h LEU 210 Cb -0.04 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 40.70 3i28 h LEU 210 CO -0.05 0.60 -0.02 0.50 0.09 0.00 0.00 178.44 179.56 3i28 h LYS 211 N 0.02 -0.07 -0.82 1.13 3.64 -0.60 0.67 116.57 120.55 3i28 h LYS 211 Ca -0.01 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.37 3i28 h LYS 211 Cb 1.03 0.02 -0.04 0.00 -0.41 0.00 0.00 32.23 32.82 3i28 h LYS 211 CO 0.08 0.01 0.47 0.93 -2.27 0.00 0.00 179.45 178.67 3i28 h GLU 212 N -0.13 1.12 -0.54 1.90 5.08 -0.92 -1.70 114.58 119.40 3i28 h GLU 212 Ca -0.01 -0.11 -0.10 0.00 -1.00 0.00 0.00 59.36 58.14 3i28 h GLU 212 Cb 0.11 -0.23 -0.02 0.00 0.50 0.00 0.00 28.75 29.11 3i28 h GLU 212 CO 0.01 0.80 -0.07 1.25 -1.00 0.00 0.00 179.01 180.00 3i28 h LEU 213 N 1.13 0.99 -0.43 1.33 6.46 -0.64 -1.83 115.31 122.32 3i28 h LEU 213 Ca 0.29 -0.34 -0.17 0.00 -0.12 0.00 0.00 57.88 57.54 3i28 h LEU 213 Cb -0.01 -0.27 -0.01 0.00 -0.73 0.00 0.00 40.66 39.63 3i28 h LEU 213 CO -0.05 1.09 -0.78 1.05 -0.62 0.00 0.00 178.44 179.13 3i28 h GLU 214 N 0.87 0.16 -0.64 1.25 4.11 -0.65 -1.62 114.58 118.05 3i28 h GLU 214 Ca 0.14 -0.15 -0.01 0.00 0.07 0.00 0.00 59.36 59.41 3i28 h GLU 214 Cb 0.63 0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.89 3i28 h GLU 214 CO 0.04 0.86 0.36 -0.22 0.07 0.00 0.00 179.01 180.12 3i28 h LYS 215 N 0.10 0.89 0.00 1.06 1.63 -1.17 0.94 116.57 120.02 3i28 h LYS 215 Ca -0.03 -0.10 -0.21 0.00 -0.85 0.00 0.00 60.65 59.47 3i28 h LYS 215 Cb 1.36 -0.18 -0.03 0.00 -0.60 0.00 0.00 32.23 32.79 3i28 h LYS 215 CO 0.12 0.66 -1.10 -0.24 -3.45 0.00 0.00 179.45 175.44 3i28 h VAL 216 N 0.87 1.35 0.00 2.00 3.04 -1.22 -3.29 116.25 119.01 3i28 h VAL 216 Ca 0.23 -3.03 0.00 0.00 -1.01 0.00 0.00 66.70 62.89 3i28 h VAL 216 Cb 0.02 2.66 0.00 0.00 -2.01 0.00 0.00 31.29 31.96 3i28 h VAL 216 CO -0.04 0.77 -0.80 0.71 -1.01 0.00 0.00 177.57 177.20 3i28 h THR 217 N 0.00 0.00 -0.40 3.17 1.35 -1.24 -3.48 112.91 112.31 3i28 h THR 217 Ca -0.07 -0.87 -0.17 0.00 -0.55 0.00 0.00 66.41 64.74 3i28 h THR 217 Cb 1.76 1.44 -0.07 0.00 -1.73 0.00 0.00 68.15 69.55 3i28 h THR 217 CO 0.11 0.00 -0.16 0.61 -0.25 0.00 0.00 175.52 175.83 3i28 n GLY 218 N 1.21 1.03 3.28 5.82 0.00 0.32 -5.03 105.19 111.82 3i28 n GLY 218 Ca 0.01 -0.62 -0.32 0.00 0.00 0.00 0.00 46.02 45.09 3i28 n GLY 218 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3i28 s ILE 219 N -2.30 2.23 -0.04 -0.61 1.01 -1.20 -5.05 121.20 115.23 3i28 s ILE 219 Ca 0.00 -0.99 -0.30 0.00 0.00 0.00 0.00 60.65 59.37 3i28 s ILE 219 Cb 0.00 -1.84 -0.06 0.00 0.01 0.00 0.00 42.46 40.57 3i28 s ILE 219 CO 0.00 0.56 1.70 -1.10 0.00 0.00 0.00 174.94 176.10 3i28 s GLN 220 N 0.03 4.17 0.00 2.79 -0.21 -1.26 -4.47 119.66 120.71 3i28 s GLN 220 Ca -0.09 2.24 0.00 0.00 0.02 0.00 0.00 55.36 57.54 3i28 s GLN 220 Cb -0.15 -4.01 0.00 0.00 1.00 0.00 0.00 33.01 29.84 3i28 s GLN 220 CO 0.06 -0.87 0.00 1.28 -2.12 0.00 0.00 175.29 173.64 3i28 n LEU 221 N 7.21 0.00 -4.86 2.90 4.77 -1.26 -4.89 117.00 120.87 3i28 n LEU 221 Ca 0.18 0.00 -0.37 0.00 -0.03 0.00 0.00 56.01 55.78 3i28 n LEU 221 Cb 0.43 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.45 3i28 n LEU 221 CO 0.63 0.00 -0.04 -0.22 -1.33 0.00 0.00 177.39 176.43 3i28 s LEU 222 N -2.96 4.42 -1.31 2.23 2.96 -1.26 -4.38 118.68 118.39 3i28 s LEU 222 Ca 0.00 0.69 -0.09 0.00 -0.22 0.00 0.00 54.13 54.50 3i28 s LEU 222 Cb 0.00 -2.31 0.07 0.00 0.50 0.00 0.00 46.19 44.46 3i28 s LEU 222 CO 0.00 0.36 0.50 -0.46 -1.32 0.00 0.00 176.35 175.44 3i28 n ASN 223 N 1.97 -3.83 -4.82 3.68 2.04 -1.26 -4.97 115.26 108.06 3i28 n ASN 223 Ca -0.17 -0.40 -0.30 0.00 -0.44 0.00 0.00 54.58 53.27 3i28 n ASN 223 Cb 0.54 -3.17 0.08 0.00 -2.53 0.00 0.00 39.78 34.70 3i28 n ASN 223 CO 0.00 0.00 0.00 0.28 -0.44 0.00 0.00 177.26 177.10 3i28 s THR 224 N -2.95 3.23 0.89 5.53 -1.32 -1.26 -5.03 115.64 114.72 3i28 s THR 224 Ca 0.40 0.40 -0.11 0.00 -1.21 0.00 0.00 61.69 61.17 3i28 s THR 224 Cb -0.21 -3.19 0.13 0.00 -1.51 0.00 0.00 72.50 67.71 3i28 s THR 224 CO 0.50 -0.52 1.12 -2.65 -2.21 0.00 0.00 174.62 170.86 3i28 n PRO 225 N -3.32 -0.29 -1.68 7.08 -0.02 -1.26 -4.89 135.00 130.62 3i28 n PRO 225 Ca 0.07 -0.01 -0.46 0.00 -2.02 0.00 0.00 63.50 61.08 3i28 n PRO 225 Cb 0.56 -2.36 -0.04 0.00 -0.02 0.00 0.00 33.50 31.64 3i28 n PRO 225 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3i28 n ALA 226 N -3.97 1.37 -1.59 3.55 0.00 -1.26 -4.97 120.51 113.64 3i28 n ALA 226 Ca 0.12 0.35 -0.31 0.00 0.00 0.00 0.00 53.44 53.60 3i28 n ALA 226 Cb 0.52 -2.47 0.05 0.00 0.00 0.00 0.00 19.45 17.54 3i28 n ALA 226 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 3i28 s PRO 227 N 2.65 2.93 0.68 0.00 0.04 -1.26 -5.05 135.00 134.99 3i28 s PRO 227 Ca 0.85 0.92 -0.11 0.00 0.04 0.00 0.00 61.00 62.70 3i28 s PRO 227 Cb -0.63 -1.99 -0.00 0.00 0.04 0.00 0.00 34.50 31.91 3i28 s PRO 227 CO 0.43 -1.10 1.05 -0.51 0.04 0.00 0.00 177.00 176.92 3i28 s LEU 228 N -5.54 3.13 0.99 -3.56 1.43 -1.26 -5.02 118.68 108.86 3i28 s LEU 228 Ca 0.58 1.54 -0.11 0.00 -1.03 0.00 0.00 54.13 55.11 3i28 s LEU 228 Cb -0.14 -4.46 0.19 0.00 0.03 0.00 0.00 46.19 41.82 3i28 s LEU 228 CO 0.55 -1.31 1.11 -2.84 0.23 0.00 0.00 176.35 174.09 3i28 s PRO 229 N -5.09 0.40 0.41 1.29 0.02 -1.26 -4.94 135.00 125.83 3i28 s PRO 229 Ca 0.57 1.35 -0.27 0.00 0.02 0.00 0.00 61.00 62.67 3i28 s PRO 229 Cb -0.13 -1.67 -0.10 0.00 0.02 0.00 0.00 34.50 32.62 3i28 s PRO 229 CO 0.55 -2.99 1.46 2.41 -0.33 0.00 0.00 177.00 178.10 3i28 n THR 230 N -4.46 2.32 -3.26 0.99 -1.04 -1.26 -4.96 114.28 102.61 3i28 n THR 230 Ca 0.09 -0.50 -0.08 0.00 -2.04 0.00 0.00 64.05 61.52 3i28 n THR 230 Cb 0.53 -1.91 0.01 0.00 -1.82 0.00 0.00 70.33 67.14 3i28 n THR 230 CO 0.00 0.00 0.00 -0.24 -0.64 0.00 0.00 175.07 174.19 3i28 n SER 231 N 0.20 1.10 -4.40 8.00 2.88 -1.26 -4.43 113.62 115.70 3i28 n SER 231 Ca 0.03 -1.60 -0.33 0.00 -1.33 0.00 0.00 58.87 55.64 3i28 n SER 231 Cb 0.40 -0.10 -0.14 0.00 -0.75 0.00 0.00 64.21 63.62 3i28 n SER 231 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3i28 s ASN 233 N -0.23 6.24 0.36 0.00 3.04 -1.26 -4.97 114.94 118.12 3i28 s ASN 233 Ca 0.00 -0.12 0.11 0.00 0.04 0.00 0.00 52.86 52.90 3i28 s ASN 233 Cb -0.13 -2.23 0.89 0.00 -1.54 0.00 0.00 41.25 38.24 3i28 s ASN 233 CO 0.03 -0.39 1.82 -0.65 -3.04 0.00 0.00 177.10 174.87 3i28 h PRO 234 N 8.44 0.59 0.00 0.43 0.11 -1.98 0.95 132.00 140.55 3i28 h PRO 234 Ca -0.29 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.78 3i28 h PRO 234 Cb 1.14 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 32.11 3i28 h PRO 234 CO 0.73 0.39 0.00 0.77 -0.21 0.00 0.00 178.00 179.68 3i28 h SER 235 N 0.61 0.00 -0.25 -2.05 0.02 -2.04 -2.60 113.55 107.24 3i28 h SER 235 Ca 0.51 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.46 3i28 h SER 235 Cb 0.99 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.53 3i28 h SER 235 CO -0.26 0.00 0.00 0.47 -1.14 0.00 0.00 176.83 175.90 3i28 n ASP 236 N -2.71 3.04 -4.95 3.07 8.00 0.33 -4.98 116.55 118.35 3i28 n ASP 236 Ca 0.00 -1.94 -0.24 0.00 0.71 0.00 0.00 54.79 53.32 3i28 n ASP 236 Cb 0.21 -0.15 -0.02 0.00 -0.02 0.00 0.00 41.12 41.13 3i28 n ASP 236 CO 0.00 0.00 0.00 -0.04 -0.39 0.00 0.00 177.20 176.77 3i28 s MET 237 N -1.70 3.46 -0.17 -1.24 -1.94 -0.98 -5.01 119.30 111.71 3i28 s MET 237 Ca 0.35 -0.61 -0.29 0.00 -1.71 0.00 0.00 55.69 53.43 3i28 s MET 237 Cb 0.21 -2.88 -0.00 0.00 2.01 0.00 0.00 34.83 34.18 3i28 s MET 237 CO 0.31 0.42 1.03 0.45 -0.01 0.00 0.00 175.02 177.21 3i28 s SER 238 N -3.67 7.16 -0.20 3.03 0.15 -1.26 -5.01 113.70 113.91 3i28 s SER 238 Ca 0.35 1.45 -0.07 0.00 0.70 0.00 0.00 55.95 58.39 3i28 s SER 238 Cb -0.10 -2.55 -0.04 0.00 -1.71 0.00 0.00 66.02 61.63 3i28 s SER 238 CO 0.30 -0.57 0.06 -1.00 1.20 0.00 0.00 173.24 173.23 3i28 s HIS 239 N 2.67 3.19 0.13 3.44 3.76 -1.26 -1.74 115.29 125.47 3i28 s HIS 239 Ca 0.46 -0.08 0.08 0.00 -0.15 0.00 0.00 55.06 55.37 3i28 s HIS 239 Cb -0.17 -2.12 -0.04 0.00 1.11 0.00 0.00 32.58 31.36 3i28 s HIS 239 CO 0.12 -0.01 -0.11 0.20 -0.85 0.00 0.00 174.74 174.08 3i28 s GLY 240 N 0.76 1.76 -0.02 -2.22 0.00 0.16 -4.97 107.32 102.78 3i28 s GLY 240 Ca 0.03 -1.32 0.00 0.00 0.00 0.00 0.00 44.72 43.43 3i28 s GLY 240 CO 0.02 -1.32 0.02 -0.19 0.00 0.00 0.00 173.10 171.64 3i28 s TYR 241 N -1.33 0.13 -0.06 1.90 1.51 -1.26 -0.99 117.35 117.24 3i28 s TYR 241 Ca 0.22 0.09 0.00 0.00 -1.01 0.00 0.00 57.07 56.36 3i28 s TYR 241 Cb -0.10 -0.30 0.02 0.00 -0.11 0.00 0.00 41.96 41.47 3i28 s TYR 241 CO 0.14 -0.11 -0.03 0.08 -1.11 0.00 0.00 175.55 174.52 3i28 s VAL 242 N 1.08 0.55 -0.30 0.71 1.01 -0.61 -4.98 120.40 117.86 3i28 s VAL 242 Ca -0.09 -0.06 -0.24 0.00 0.00 0.00 0.00 61.98 61.59 3i28 s VAL 242 Cb -0.13 -0.62 0.00 0.00 0.00 0.00 0.00 36.38 35.63 3i28 s VAL 242 CO -0.03 0.26 0.82 -0.89 0.00 0.00 0.00 175.10 175.26 3i28 s THR 243 N 1.38 4.77 -0.12 3.92 2.01 -1.26 -0.39 115.64 125.95 3i28 s THR 243 Ca -0.04 1.28 0.18 0.00 0.31 0.00 0.00 61.69 63.42 3i28 s THR 243 Cb -0.13 -4.17 -0.20 0.00 0.01 0.00 0.00 72.50 68.01 3i28 s THR 243 CO -0.03 -0.25 0.57 1.33 -0.69 0.00 0.00 174.62 175.56 3i28 n VAL 244 N 5.53 1.03 -3.69 3.82 0.24 -0.23 -4.98 118.33 120.05 3i28 n VAL 244 Ca 0.05 -0.70 -0.11 0.00 -2.04 0.00 0.00 64.34 61.54 3i28 n VAL 244 Cb 0.48 -0.54 -0.06 0.00 -1.47 0.00 0.00 33.84 32.25 3i28 n VAL 244 CO 0.00 0.00 0.00 -0.54 -2.14 0.00 0.00 176.83 174.15 3i28 s LYS 245 N -2.92 0.96 0.27 7.34 1.02 -1.07 -4.99 119.74 120.35 3i28 s LYS 245 Ca -0.06 -0.62 -0.07 0.00 0.02 0.00 0.00 55.97 55.24 3i28 s LYS 245 Cb 0.09 0.42 0.46 0.00 -0.52 0.00 0.00 37.83 38.28 3i28 s LYS 245 CO 0.83 -0.35 1.47 -2.30 -0.92 0.00 0.00 175.35 174.09 3i28 n PRO 246 N 0.10 -0.08 -0.61 -1.68 -0.02 -1.26 -0.01 135.00 131.44 3i28 n PRO 246 Ca -0.17 1.47 0.08 0.00 -2.02 0.00 0.00 63.50 62.86 3i28 n PRO 246 Cb 0.62 -2.20 0.33 0.00 -0.02 0.00 0.00 33.50 32.23 3i28 n PRO 246 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 3i28 n ARG 247 N -5.52 3.78 -4.00 -0.52 5.12 -1.26 -4.92 116.66 109.34 3i28 n ARG 247 Ca 0.16 -2.87 -0.24 0.00 -1.93 0.00 0.00 57.85 52.97 3i28 n ARG 247 Cb 0.50 -1.92 -0.17 0.00 -1.16 0.00 0.00 32.46 29.71 3i28 n ARG 247 CO 0.00 0.00 0.00 0.08 -1.93 0.00 0.00 177.63 175.78 3i28 s VAL 248 N -2.21 0.73 -0.03 1.55 1.01 0.98 -4.85 120.40 117.58 3i28 s VAL 248 Ca 0.47 -0.14 0.06 0.00 0.00 0.00 0.00 61.98 62.37 3i28 s VAL 248 Cb 0.33 -0.78 -0.01 0.00 0.00 0.00 0.00 36.38 35.93 3i28 s VAL 248 CO 0.18 0.30 -0.20 -0.60 0.00 0.00 0.00 175.10 174.79 3i28 s ARG 249 N 1.49 1.77 -0.15 2.72 3.52 -1.26 -1.07 118.95 125.96 3i28 s ARG 249 Ca -0.01 -0.70 -0.04 0.00 -0.13 0.00 0.00 55.73 54.85 3i28 s ARG 249 Cb -0.13 -1.63 -0.03 0.00 -1.56 0.00 0.00 34.95 31.60 3i28 s ARG 249 CO -0.04 0.37 -0.01 -0.51 -0.81 0.00 0.00 175.30 174.29 3i28 s LEU 250 N -0.28 3.39 -0.03 -0.88 1.43 0.48 -0.67 118.68 122.12 3i28 s LEU 250 Ca 0.03 -0.06 -0.03 0.00 -1.03 0.00 0.00 54.13 53.04 3i28 s LEU 250 Cb -0.09 -1.82 -0.04 0.00 0.03 0.00 0.00 46.19 44.26 3i28 s LEU 250 CO 0.01 0.19 0.16 -2.28 0.23 0.00 0.00 176.35 174.65 3i28 s HIS 251 N 0.25 3.51 0.06 0.29 5.65 -1.26 -1.58 115.29 122.22 3i28 s HIS 251 Ca -0.01 0.36 -0.12 0.00 0.25 0.00 0.00 55.06 55.54 3i28 s HIS 251 Cb -0.14 -1.83 0.01 0.00 -1.18 0.00 0.00 32.58 29.45 3i28 s HIS 251 CO 0.02 0.65 0.27 -0.59 -0.65 0.00 0.00 174.74 174.44 3i28 s PHE 252 N -1.25 -0.03 -0.05 3.88 -0.71 -0.16 -0.83 117.98 118.82 3i28 s PHE 252 Ca 0.24 -0.21 -0.01 0.00 -1.04 0.00 0.00 56.93 55.92 3i28 s PHE 252 Cb -0.12 0.06 -0.03 0.00 -1.21 0.00 0.00 43.02 41.71 3i28 s PHE 252 CO 0.15 -0.53 0.00 0.08 -1.34 0.00 0.00 175.22 173.59 3i28 s VAL 253 N -3.02 4.27 -0.05 -2.49 1.01 -0.42 0.36 120.40 120.06 3i28 s VAL 253 Ca -0.02 -0.37 0.02 0.00 0.00 0.00 0.00 61.98 61.62 3i28 s VAL 253 Cb 0.01 -2.84 0.01 0.00 0.00 0.00 0.00 36.38 33.56 3i28 s VAL 253 CO -0.06 0.52 -0.11 -0.70 0.00 0.00 0.00 175.10 174.75 3i28 s GLU 254 N -1.13 1.37 -0.18 2.72 2.12 -0.71 -0.74 118.70 122.15 3i28 s GLU 254 Ca 0.16 -0.37 -0.12 0.00 0.36 0.00 0.00 54.97 55.00 3i28 s GLU 254 Cb -0.11 -1.20 0.06 0.00 0.26 0.00 0.00 34.13 33.13 3i28 s GLU 254 CO 0.05 0.07 0.45 -1.17 -0.54 0.00 0.00 175.26 174.12 3i28 s LEU 255 N 0.46 -0.04 0.00 2.70 2.96 -0.76 -4.09 118.68 119.92 3i28 s LEU 255 Ca -0.09 0.95 0.00 0.00 -0.22 0.00 0.00 54.13 54.77 3i28 s LEU 255 Cb -0.13 1.50 0.00 0.00 0.50 0.00 0.00 46.19 48.06 3i28 s LEU 255 CO 0.02 -0.19 0.00 0.61 -1.32 0.00 0.00 176.35 175.48 3i28 n GLY 256 N 3.80 0.83 3.22 7.98 0.00 -1.26 -0.76 105.19 118.99 3i28 n GLY 256 Ca -0.20 -2.07 -0.14 0.00 0.00 0.00 0.00 46.02 43.62 3i28 n GLY 256 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3i28 s SER 257 N 0.00 1.60 0.00 1.61 1.04 -1.18 -4.47 113.70 112.30 3i28 s SER 257 Ca 0.00 -0.97 0.00 0.00 0.48 0.00 0.00 55.95 55.46 3i28 s SER 257 Cb 0.00 0.01 0.00 0.00 0.10 0.00 0.00 66.02 66.13 3i28 s SER 257 CO 0.00 -0.34 0.00 0.61 0.98 0.00 0.00 173.24 174.49 3i28 n GLY 258 N -0.02 0.44 3.72 7.32 0.00 -1.26 -2.68 105.19 112.71 3i28 n GLY 258 Ca -0.12 -2.28 -0.43 0.00 0.00 0.00 0.00 46.02 43.19 3i28 n GLY 258 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3i28 n PRO 259 N 0.00 2.43 -2.21 1.61 -0.02 -1.26 -3.74 135.00 131.81 3i28 n PRO 259 Ca 0.00 0.86 -0.42 0.00 -2.02 0.00 0.00 63.50 61.93 3i28 n PRO 259 Cb 0.00 -2.58 -0.03 0.00 -0.02 0.00 0.00 33.50 30.87 3i28 n PRO 259 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3i28 s ALA 260 N -0.20 3.54 -0.19 3.55 0.00 -1.26 -1.58 121.76 125.62 3i28 s ALA 260 Ca 0.64 1.10 -0.00 0.00 0.00 0.00 0.00 51.96 53.70 3i28 s ALA 260 Cb -0.55 -3.50 0.05 0.00 0.00 0.00 0.00 23.12 19.12 3i28 s ALA 260 CO 0.51 -0.55 -0.06 0.08 0.00 0.00 0.00 175.76 175.74 3i28 s VAL 261 N 0.47 1.29 -0.33 0.00 1.01 0.57 -1.01 120.40 122.39 3i28 s VAL 261 Ca 0.59 -0.82 -0.13 0.00 0.00 0.00 0.00 61.98 61.62 3i28 s VAL 261 Cb -0.36 -1.47 -0.02 0.00 0.00 0.00 0.00 36.38 34.53 3i28 s VAL 261 CO 0.35 0.08 0.27 0.00 0.00 0.00 0.00 175.10 175.80 3i28 s LEU 263 N 1.80 4.20 -0.25 0.00 1.43 -0.03 -1.49 118.68 124.35 3i28 s LEU 263 Ca 0.08 0.47 0.03 0.00 -1.03 0.00 0.00 54.13 53.68 3i28 s LEU 263 Cb -0.17 -2.39 0.06 0.00 0.03 0.00 0.00 46.19 43.71 3i28 s LEU 263 CO 0.11 0.04 -0.11 0.00 0.23 0.00 0.00 176.35 176.62 3i28 s HIS 265 N 1.15 1.72 0.00 0.00 -3.43 -1.26 -1.59 115.29 111.87 3i28 s HIS 265 Ca -0.07 0.45 0.00 0.00 -0.80 0.00 0.00 55.06 54.64 3i28 s HIS 265 Cb -0.19 -3.87 0.00 0.00 -1.43 0.00 0.00 32.58 27.08 3i28 s HIS 265 CO -0.06 -2.67 0.00 0.41 -2.00 0.00 0.00 174.74 170.42 3i28 n GLY 266 N -3.18 4.91 3.77 -1.38 0.00 -1.16 -2.46 105.19 105.71 3i28 n GLY 266 Ca 0.13 -2.06 -0.36 0.00 0.00 0.00 0.00 46.02 43.74 3i28 n GLY 266 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3i28 s PHE 267 N 1.21 3.48 -0.64 1.61 2.19 -1.26 -1.47 117.98 123.10 3i28 s PHE 267 Ca 0.00 0.47 -0.08 0.00 0.33 0.00 0.00 56.93 57.65 3i28 s PHE 267 Cb 0.00 -2.16 0.17 0.00 -1.31 0.00 0.00 43.02 39.72 3i28 s PHE 267 CO 0.00 0.40 0.51 -1.25 1.83 0.00 0.00 175.22 176.71 3i28 s PRO 268 N -0.01 2.83 0.00 10.12 0.05 -1.26 -4.99 135.00 141.75 3i28 s PRO 268 Ca 0.12 -2.30 0.00 0.00 0.05 0.00 0.00 61.00 58.87 3i28 s PRO 268 Cb -0.12 -3.98 0.00 0.00 0.05 0.00 0.00 34.50 30.45 3i28 s PRO 268 CO 0.02 -1.21 0.00 0.39 0.05 0.00 0.00 177.00 176.24 3i28 n GLU 269 N 4.01 2.90 -3.60 4.56 1.02 -0.54 -5.12 120.64 123.86 3i28 n GLU 269 Ca 0.05 0.00 -0.04 0.00 -0.02 0.00 0.00 57.16 57.15 3i28 n GLU 269 Cb 0.41 0.00 -0.02 0.00 -0.02 0.00 0.00 31.44 31.82 3i28 n GLU 269 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 3i28 s SER 270 N 1.00 -0.18 0.41 1.62 0.15 -1.26 -4.85 113.70 110.60 3i28 s SER 270 Ca 0.00 -0.08 0.19 0.00 0.70 0.00 0.00 55.95 56.76 3i28 s SER 270 Cb 0.00 0.25 1.12 0.00 -1.71 0.00 0.00 66.02 65.67 3i28 s SER 270 CO 0.00 -0.42 1.81 4.11 1.20 0.00 0.00 173.24 179.94 3i28 h TRP 271 N 2.00 0.57 0.00 3.44 5.08 -1.85 -1.43 115.95 123.76 3i28 h TRP 271 Ca -0.19 0.02 0.00 0.00 1.08 0.00 0.00 58.89 59.80 3i28 h TRP 271 Cb 1.20 -0.17 0.00 0.00 -3.00 0.00 0.00 29.16 27.19 3i28 h TRP 271 CO 0.30 0.09 0.00 -0.92 -1.28 0.00 0.00 178.44 176.63 3i28 h TYR 272 N 0.38 0.00 0.00 0.12 3.20 -1.94 -1.51 116.97 117.22 3i28 h TYR 272 Ca 0.54 0.00 -0.00 0.00 3.14 0.00 0.00 58.73 62.41 3i28 h TYR 272 Cb 1.41 0.00 -0.00 0.00 1.54 0.00 0.00 36.73 39.68 3i28 h TYR 272 CO -0.00 0.00 -0.00 0.77 -1.64 0.00 0.00 178.16 177.28 3i28 h SER 273 N 0.00 0.00 -0.46 -2.11 0.02 -1.64 -1.19 113.55 108.17 3i28 h SER 273 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 3i28 h SER 273 Cb 0.26 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.80 3i28 h SER 273 CO 0.00 0.00 0.00 0.79 -1.14 0.00 0.00 176.83 176.48 3i28 n TRP 274 N -3.24 0.81 -0.16 3.45 7.02 -0.57 -4.61 117.44 120.14 3i28 n TRP 274 Ca -0.03 -0.35 0.23 0.00 -1.02 0.00 0.00 57.50 56.33 3i28 n TRP 274 Cb 0.09 -0.09 0.65 0.00 -2.42 0.00 0.00 31.31 29.54 3i28 n TRP 274 CO 0.00 0.00 0.00 0.07 -2.02 0.00 0.00 177.69 175.74 3i28 h ARG 275 N 2.75 0.13 0.00 -0.99 0.11 -1.38 0.64 114.38 115.65 3i28 h ARG 275 Ca 0.00 -0.01 -0.03 0.00 0.10 0.00 0.00 59.98 60.04 3i28 h ARG 275 Cb 0.83 -0.03 -0.00 0.00 1.11 0.00 0.00 29.97 31.88 3i28 h ARG 275 CO 0.07 0.09 -0.32 1.88 0.10 0.00 0.00 179.97 181.79 3i28 h TYR 276 N 0.14 0.00 0.00 4.08 0.05 -1.82 -3.25 116.97 116.17 3i28 h TYR 276 Ca 0.40 0.00 -0.14 0.00 0.05 0.00 0.00 58.73 59.04 3i28 h TYR 276 Cb 1.36 0.00 -0.03 0.00 1.01 0.00 0.00 36.73 39.07 3i28 h TYR 276 CO -0.00 0.14 -1.59 0.00 -1.05 0.00 0.00 178.16 175.66 3i28 n GLN 277 N -3.06 0.63 0.28 4.88 0.00 0.13 -4.31 117.38 115.94 3i28 n GLN 277 Ca 0.02 0.10 -0.17 0.00 0.00 0.00 0.00 57.00 56.96 3i28 n GLN 277 Cb 0.59 -1.72 -0.08 0.00 0.00 0.00 0.00 30.24 29.03 3i28 n GLN 277 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.06 177.88 3i28 h ILE 278 N 0.00 0.25 -0.62 -0.39 2.04 -1.43 0.42 117.51 117.77 3i28 h ILE 278 Ca -0.16 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 65.69 3i28 h ILE 278 Cb 1.48 0.25 -0.03 0.00 -0.74 0.00 0.00 36.82 37.78 3i28 h ILE 278 CO 0.03 0.00 0.38 -0.65 0.00 0.00 0.00 178.15 177.91 3i28 h PRO 279 N -0.84 0.85 -0.10 2.37 0.11 -1.80 -2.28 132.00 130.31 3i28 h PRO 279 Ca -0.05 -0.08 0.02 0.00 0.11 0.00 0.00 66.00 66.00 3i28 h PRO 279 Cb 0.71 -0.18 -0.02 0.00 0.11 0.00 0.00 31.00 31.63 3i28 h PRO 279 CO -0.00 0.60 -0.02 0.00 -0.21 0.00 0.00 178.00 178.37 3i28 h ALA 280 N 1.19 0.07 -0.60 -0.75 0.00 -1.70 -0.70 119.26 116.77 3i28 h ALA 280 Ca 0.22 0.04 -0.04 0.00 0.00 0.00 0.00 54.91 55.13 3i28 h ALA 280 Cb -0.02 0.07 -0.03 0.00 0.00 0.00 0.00 17.79 17.81 3i28 h ALA 280 CO -0.04 -0.48 0.21 -0.07 0.00 0.00 0.00 179.25 178.86 3i28 h LEU 281 N 0.01 0.86 -0.25 0.00 3.38 -0.86 -1.15 115.31 117.29 3i28 h LEU 281 Ca 0.05 -0.20 0.02 0.00 0.09 0.00 0.00 57.88 57.84 3i28 h LEU 281 Cb 0.07 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.57 3i28 h LEU 281 CO -0.10 0.83 0.10 0.00 0.09 0.00 0.00 178.44 179.36 3i28 h ALA 282 N 1.07 0.29 0.00 1.53 0.00 -1.29 -2.53 119.26 118.33 3i28 h ALA 282 Ca 0.20 0.02 -0.03 0.00 0.00 0.00 0.00 54.91 55.10 3i28 h ALA 282 Cb 0.26 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.04 3i28 h ALA 282 CO -0.01 -0.31 -0.15 0.37 0.00 0.00 0.00 179.25 179.15 3i28 h GLN 283 N 0.22 0.00 0.00 0.00 5.75 -0.88 -0.96 115.11 119.24 3i28 h GLN 283 Ca 0.11 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.61 3i28 h GLN 283 Cb 0.06 0.00 0.00 0.00 1.07 0.00 0.00 27.48 28.61 3i28 h GLN 283 CO -0.10 0.15 0.00 0.00 -2.65 0.00 0.00 178.83 176.23 3i28 n ALA 284 N -2.51 2.08 0.00 3.38 0.00 -0.46 -4.88 120.51 118.13 3i28 n ALA 284 Ca -0.03 -0.09 0.00 0.00 0.00 0.00 0.00 53.44 53.32 3i28 n ALA 284 Cb 0.22 -1.36 0.00 0.00 0.00 0.00 0.00 19.45 18.31 3i28 n ALA 284 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i28 n GLY 285 N 0.67 1.97 3.38 0.00 0.00 -0.37 -5.07 105.19 105.77 3i28 n GLY 285 Ca 0.08 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.86 3i28 n GLY 285 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3i28 s TYR 286 N -2.00 2.05 -0.49 1.61 1.51 -1.00 -4.12 117.35 114.91 3i28 s TYR 286 Ca 0.00 -0.41 -0.16 0.00 -1.01 0.00 0.00 57.07 55.48 3i28 s TYR 286 Cb 0.00 -1.01 0.08 0.00 -0.11 0.00 0.00 41.96 40.92 3i28 s TYR 286 CO 0.00 0.42 0.46 0.50 -1.11 0.00 0.00 175.55 175.83 3i28 s ARG 287 N -2.77 3.01 -0.09 -0.62 3.52 -0.62 -3.09 118.95 118.29 3i28 s ARG 287 Ca 0.19 -1.30 -0.18 0.00 -0.13 0.00 0.00 55.73 54.31 3i28 s ARG 287 Cb -0.07 -4.15 -0.04 0.00 -1.56 0.00 0.00 34.95 29.13 3i28 s ARG 287 CO 0.08 -1.12 0.49 0.08 -0.81 0.00 0.00 175.30 174.02 3i28 s VAL 288 N 1.87 5.14 -0.30 7.11 1.01 0.06 -0.32 120.40 134.97 3i28 s VAL 288 Ca 0.06 0.98 0.03 0.00 0.00 0.00 0.00 61.98 63.05 3i28 s VAL 288 Cb -0.24 -3.82 0.08 0.00 0.00 0.00 0.00 36.38 32.40 3i28 s VAL 288 CO 0.07 0.36 -0.01 -0.76 0.00 0.00 0.00 175.10 174.76 3i28 s LEU 289 N 0.35 3.80 -0.38 3.92 1.43 0.82 -1.82 118.68 126.79 3i28 s LEU 289 Ca 0.26 -1.72 -0.15 0.00 -1.03 0.00 0.00 54.13 51.49 3i28 s LEU 289 Cb -0.16 -1.47 0.00 0.00 0.03 0.00 0.00 46.19 44.60 3i28 s LEU 289 CO 0.11 -0.30 0.32 0.00 0.23 0.00 0.00 176.35 176.71 3i28 s ALA 290 N 1.10 3.48 0.36 4.21 0.00 0.08 -0.85 121.76 130.14 3i28 s ALA 290 Ca 0.02 -1.51 -0.24 0.00 0.00 0.00 0.00 51.96 50.23 3i28 s ALA 290 Cb -0.19 -2.84 -0.10 0.00 0.00 0.00 0.00 23.12 19.99 3i28 s ALA 290 CO -0.08 -1.28 0.96 -1.64 0.00 0.00 0.00 175.76 173.72 3i28 s MET 291 N 1.82 4.43 -0.33 0.00 1.00 -0.89 -1.30 119.30 124.03 3i28 s MET 291 Ca 0.08 1.30 -0.24 0.00 0.00 0.00 0.00 55.69 56.83 3i28 s MET 291 Cb -0.18 -2.60 0.00 0.00 0.00 0.00 0.00 34.83 32.06 3i28 s MET 291 CO 0.11 0.13 0.80 -0.51 0.00 0.00 0.00 175.02 175.55 3i28 s ASP 292 N -1.75 6.64 0.83 3.03 1.01 -0.01 -2.97 116.67 123.45 3i28 s ASP 292 Ca 0.54 0.58 -0.11 0.00 0.71 0.00 0.00 52.55 54.28 3i28 s ASP 292 Cb -0.17 -2.41 0.09 0.00 1.01 0.00 0.00 42.92 41.45 3i28 s ASP 292 CO 0.22 -0.66 1.09 -0.04 0.21 0.00 0.00 175.17 175.98 3i28 s MET 293 N 3.04 1.77 0.16 8.23 -1.94 -1.26 -4.35 119.30 124.94 3i28 s MET 293 Ca 0.33 0.95 -0.34 0.00 -1.71 0.00 0.00 55.69 54.92 3i28 s MET 293 Cb -0.14 -1.86 -0.14 0.00 2.01 0.00 0.00 34.83 34.71 3i28 s MET 293 CO 0.14 -1.92 1.61 1.17 -0.01 0.00 0.00 175.02 176.00 3i28 n LYS 294 N -3.68 2.22 0.00 2.03 4.81 -1.26 -1.35 118.16 120.92 3i28 n LYS 294 Ca 0.08 0.80 0.00 0.00 -0.87 0.00 0.00 58.31 58.32 3i28 n LYS 294 Cb 0.54 -2.58 0.00 0.00 0.02 0.00 0.00 35.03 33.01 3i28 n LYS 294 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3i28 n GLY 295 N 3.51 0.29 3.35 3.14 0.00 -0.68 -4.69 105.19 110.11 3i28 n GLY 295 Ca 0.17 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.89 3i28 n GLY 295 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3i28 s TYR 296 N -2.02 2.35 0.00 1.61 1.51 -0.46 -4.22 117.35 116.12 3i28 s TYR 296 Ca 0.00 -0.40 0.00 0.00 -1.01 0.00 0.00 57.07 55.66 3i28 s TYR 296 Cb 0.00 -1.43 0.00 0.00 -0.11 0.00 0.00 41.96 40.42 3i28 s TYR 296 CO 0.00 0.09 0.00 0.41 -1.11 0.00 0.00 175.55 174.94 3i28 n GLY 297 N 1.95 3.77 0.46 0.71 0.00 -1.26 -1.09 105.19 109.73 3i28 n GLY 297 Ca -0.17 0.09 0.14 0.00 0.00 0.00 0.00 46.02 46.08 3i28 n GLY 297 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3i28 n GLU 298 N 14.00 1.63 -2.12 1.61 1.02 -1.26 -4.83 120.64 130.69 3i28 n GLU 298 Ca 0.00 -0.92 -0.32 0.00 -0.02 0.00 0.00 57.16 55.91 3i28 n GLU 298 Cb 0.00 -1.47 -0.01 0.00 -0.02 0.00 0.00 31.44 29.95 3i28 n GLU 298 CO 0.00 0.00 0.00 -1.12 1.18 0.00 0.00 177.13 177.19 3i28 s SER 299 N -1.93 6.33 0.61 1.62 0.01 -0.25 -4.45 113.70 115.65 3i28 s SER 299 Ca 0.38 1.53 -0.18 0.00 1.31 0.00 0.00 55.95 58.98 3i28 s SER 299 Cb 0.20 -2.49 -0.03 0.00 0.21 0.00 0.00 66.02 63.91 3i28 s SER 299 CO 0.32 -0.79 1.21 -0.44 0.41 0.00 0.00 173.24 173.96 3i28 s SER 300 N -3.53 5.06 -0.45 2.44 0.01 0.15 -4.37 113.70 113.01 3i28 s SER 300 Ca 0.58 2.40 0.07 0.00 1.31 0.00 0.00 55.95 60.30 3i28 s SER 300 Cb -0.11 -2.60 0.23 0.00 0.21 0.00 0.00 66.02 63.75 3i28 s SER 300 CO 0.42 -1.68 0.52 0.00 0.41 0.00 0.00 173.24 172.90 3i28 n ALA 301 N -1.72 2.83 -1.70 1.44 0.00 -1.26 -1.68 120.51 118.41 3i28 n ALA 301 Ca 0.14 -3.61 -0.36 0.00 0.00 0.00 0.00 53.44 49.61 3i28 n ALA 301 Cb 0.50 -0.82 0.06 0.00 0.00 0.00 0.00 19.45 19.18 3i28 n ALA 301 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 3i28 s PRO 302 N -1.13 2.61 0.24 0.00 0.04 -1.26 -4.86 135.00 130.64 3i28 s PRO 302 Ca 0.35 1.98 0.13 0.00 0.04 0.00 0.00 61.00 63.49 3i28 s PRO 302 Cb 0.13 -1.86 0.07 0.00 0.04 0.00 0.00 34.50 32.88 3i28 s PRO 302 CO -0.12 -1.53 1.44 -1.00 0.04 0.00 0.00 177.00 175.83 3i28 h PRO 303 N 0.55 0.00 -6.68 0.56 0.13 -1.99 -3.44 132.00 121.12 3i28 h PRO 303 Ca -0.51 0.00 -0.53 0.00 -0.87 0.00 0.00 66.00 64.10 3i28 h PRO 303 Cb 1.32 0.00 0.05 0.00 0.13 0.00 0.00 31.00 32.51 3i28 h PRO 303 CO 0.53 0.66 0.81 -1.21 -0.23 0.00 0.00 178.00 178.56 3i28 s GLU 304 N -3.00 4.24 0.20 0.86 8.01 -1.26 -4.90 118.70 122.84 3i28 s GLU 304 Ca 0.02 2.33 -0.11 0.00 0.01 0.00 0.00 54.97 57.22 3i28 s GLU 304 Cb 0.09 -3.13 0.21 0.00 -4.31 0.00 0.00 34.13 26.99 3i28 s GLU 304 CO 0.76 -0.51 1.77 0.82 0.01 0.00 0.00 175.26 178.12 3i28 h ILE 305 N 3.75 0.89 -0.03 -1.63 2.04 -1.94 -2.60 117.51 117.99 3i28 h ILE 305 Ca -0.44 -0.17 0.01 0.00 1.00 0.00 0.00 64.86 65.25 3i28 h ILE 305 Cb 1.21 0.34 -0.00 0.00 -0.74 0.00 0.00 36.82 37.64 3i28 h ILE 305 CO 0.84 0.09 0.09 -0.33 0.00 0.00 0.00 178.15 178.84 3i28 h GLU 306 N 0.50 0.00 0.00 2.37 3.07 -1.91 -1.20 114.58 117.40 3i28 h GLU 306 Ca 0.27 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.13 3i28 h GLU 306 Cb 0.24 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.15 3i28 h GLU 306 CO -0.22 0.00 0.00 0.39 -1.40 0.00 0.00 179.01 177.78 3i28 n GLU 307 N -3.31 0.01 -0.05 2.33 -0.58 -0.98 -3.09 120.64 114.98 3i28 n GLU 307 Ca -0.02 0.30 0.06 0.00 -0.42 0.00 0.00 57.16 57.08 3i28 n GLU 307 Cb 0.17 -1.50 0.09 0.00 -0.57 0.00 0.00 31.44 29.63 3i28 n GLU 307 CO 0.00 0.00 0.00 0.66 -0.48 0.00 0.00 177.13 177.31 3i28 n TYR 308 N -1.49 0.00 -1.99 -0.32 4.02 -0.45 -4.61 117.16 112.33 3i28 n TYR 308 Ca 0.03 -0.80 -0.33 0.00 -0.01 0.00 0.00 57.90 56.79 3i28 n TYR 308 Cb 0.13 -0.11 0.02 0.00 -0.02 0.00 0.00 39.34 39.35 3i28 n TYR 308 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 3i28 h MET 310 N 0.38 1.08 -0.33 0.00 2.86 -1.93 -0.88 114.93 116.12 3i28 h MET 310 Ca -0.47 -0.06 0.01 0.00 -2.06 0.00 0.00 59.70 57.12 3i28 h MET 310 Cb 1.23 -0.24 -0.02 0.00 0.06 0.00 0.00 31.60 32.62 3i28 h MET 310 CO 0.57 0.71 0.19 1.49 1.06 0.00 0.00 176.91 180.93 3i28 h GLU 311 N 1.11 0.37 -0.19 1.72 4.81 -1.93 -0.24 114.58 120.23 3i28 h GLU 311 Ca 0.34 -0.02 -0.17 0.00 -0.13 0.00 0.00 59.36 59.37 3i28 h GLU 311 Cb -0.02 -0.08 -0.00 0.00 0.63 0.00 0.00 28.75 29.27 3i28 h GLU 311 CO -0.09 0.25 -0.59 -0.39 -0.73 0.00 0.00 179.01 177.46 3i28 h VAL 312 N 0.38 1.31 -0.44 0.32 -1.51 -1.78 -2.12 116.25 112.42 3i28 h VAL 312 Ca 0.13 -1.84 -0.04 0.00 -1.23 0.00 0.00 66.70 63.73 3i28 h VAL 312 Cb 0.01 1.79 -0.02 0.00 -2.13 0.00 0.00 31.29 30.94 3i28 h VAL 312 CO -0.07 0.58 0.13 -0.07 -1.23 0.00 0.00 177.57 176.91 3i28 h LEU 313 N 0.48 0.64 -0.33 4.19 3.38 -0.97 -1.61 115.31 121.09 3i28 h LEU 313 Ca 0.00 -0.21 -0.02 0.00 0.09 0.00 0.00 57.88 57.74 3i28 h LEU 313 Cb 1.16 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.73 3i28 h LEU 313 CO 0.12 0.68 0.12 0.00 0.09 0.00 0.00 178.44 179.44 3i28 h LYS 315 N 0.38 0.82 -0.28 0.00 3.11 -1.27 -1.54 116.57 117.78 3i28 h LYS 315 Ca 0.11 -0.05 -0.09 0.00 -2.81 0.00 0.00 60.65 57.81 3i28 h LYS 315 Cb 0.22 -0.19 -0.01 0.00 -1.00 0.00 0.00 32.23 31.25 3i28 h LYS 315 CO -0.01 0.54 -0.21 0.93 -2.81 0.00 0.00 179.45 177.90 3i28 h GLU 316 N 0.85 0.52 -0.59 1.90 5.08 -1.06 -1.07 114.58 120.20 3i28 h GLU 316 Ca 0.37 -0.18 -0.07 0.00 -1.00 0.00 0.00 59.36 58.48 3i28 h GLU 316 Cb 0.25 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.44 3i28 h GLU 316 CO -0.20 0.69 0.08 0.52 -1.00 0.00 0.00 179.01 179.10 3i28 h MET 317 N 0.46 0.97 -0.23 2.33 2.86 -0.69 0.14 114.93 120.78 3i28 h MET 317 Ca 0.07 -0.25 -0.01 0.00 -2.06 0.00 0.00 59.70 57.45 3i28 h MET 317 Cb 0.62 -0.12 -0.01 0.00 0.06 0.00 0.00 31.60 32.15 3i28 h MET 317 CO 0.04 0.91 0.10 0.28 1.06 0.00 0.00 176.91 179.30 3i28 h VAL 318 N 0.91 1.16 -0.74 -2.22 2.07 -1.03 -1.58 116.25 114.83 3i28 h VAL 318 Ca 0.18 -0.48 0.05 0.00 0.82 0.00 0.00 66.70 67.26 3i28 h VAL 318 Cb 0.43 1.06 -0.05 0.00 -1.52 0.00 0.00 31.29 31.20 3i28 h VAL 318 CO 0.01 0.16 0.45 0.74 0.02 0.00 0.00 177.57 178.95 3i28 h THR 319 N 0.22 1.05 -0.28 2.57 2.02 -0.99 -0.03 112.91 117.47 3i28 h THR 319 Ca 0.08 -0.29 0.06 0.00 0.77 0.00 0.00 66.41 67.03 3i28 h THR 319 Cb 0.16 0.12 -0.07 0.00 -1.74 0.00 0.00 68.15 66.63 3i28 h THR 319 CO -0.01 0.16 -0.16 0.15 0.37 0.00 0.00 175.52 176.03 3i28 h PHE 320 N 0.85 -0.40 -0.10 3.16 3.57 -0.50 0.32 116.94 123.84 3i28 h PHE 320 Ca 0.31 0.03 0.02 0.00 3.53 0.00 0.00 57.97 61.87 3i28 h PHE 320 Cb 0.10 0.22 -0.02 0.00 2.79 0.00 0.00 35.95 39.04 3i28 h PHE 320 CO -0.05 -0.23 -0.04 -0.07 -2.23 0.00 0.00 178.31 175.69 3i28 h LEU 321 N -0.13 -0.14 -0.59 0.59 3.38 -0.54 -2.55 115.31 115.33 3i28 h LEU 321 Ca 0.15 0.04 0.12 0.00 0.09 0.00 0.00 57.88 58.27 3i28 h LEU 321 Cb 0.36 0.08 -0.11 0.00 0.09 0.00 0.00 40.66 41.08 3i28 h LEU 321 CO -0.36 -0.06 -0.22 0.44 0.09 0.00 0.00 178.44 178.33 3i28 h ASP 322 N -0.03 -0.78 0.39 -0.43 3.32 -0.38 -1.56 116.42 116.95 3i28 h ASP 322 Ca 0.06 0.20 -0.08 0.00 0.02 0.00 0.00 57.03 57.23 3i28 h ASP 322 Cb 0.11 0.45 -0.01 0.00 0.22 0.00 0.00 39.33 40.10 3i28 h ASP 322 CO -0.12 -0.25 -0.36 0.11 -1.72 0.00 0.00 179.24 176.90 3i28 h LYS 323 N -0.07 0.00 -0.00 3.56 1.79 -0.74 -2.22 116.57 118.88 3i28 h LYS 323 Ca 0.27 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.74 3i28 h LYS 323 Cb 0.49 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.14 3i28 h LYS 323 CO -0.64 0.36 -0.19 1.28 -1.08 0.00 0.00 179.45 179.19 3i28 n LEU 324 N -4.05 0.26 -0.57 2.94 4.77 -0.88 -4.95 117.00 114.51 3i28 n LEU 324 Ca -0.02 0.23 -0.03 0.00 -0.03 0.00 0.00 56.01 56.16 3i28 n LEU 324 Cb 0.40 -0.35 0.00 0.00 -2.33 0.00 0.00 43.42 41.15 3i28 n LEU 324 CO 0.38 0.06 -0.01 0.61 -1.33 0.00 0.00 177.39 177.10 3i28 n GLY 325 N 1.45 0.41 3.46 -0.72 0.00 -0.65 -5.04 105.19 104.10 3i28 n GLY 325 Ca 0.08 -0.68 -0.35 0.00 0.00 0.00 0.00 46.02 45.08 3i28 n GLY 325 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3i28 s LEU 326 N -1.28 3.27 0.19 0.99 1.43 -0.79 -4.99 118.68 117.50 3i28 s LEU 326 Ca 0.03 -0.18 0.09 0.00 -1.03 0.00 0.00 54.13 53.04 3i28 s LEU 326 Cb -0.01 -1.82 0.04 0.00 0.03 0.00 0.00 46.19 44.43 3i28 s LEU 326 CO 0.04 0.08 1.43 0.77 0.23 0.00 0.00 176.35 178.90 3i28 h SER 327 N 7.34 0.00 -5.12 2.29 4.64 -1.95 -3.38 113.55 117.37 3i28 h SER 327 Ca -0.35 0.00 -0.09 0.00 -0.47 0.00 0.00 61.79 60.88 3i28 h SER 327 Cb 1.18 0.00 -0.15 0.00 -0.31 0.00 0.00 62.40 63.12 3i28 h SER 327 CO 0.62 0.82 -0.33 -1.10 -0.87 0.00 0.00 176.83 175.96 3i28 s GLN 328 N -3.09 0.83 0.05 4.77 -0.21 -1.26 -4.39 119.66 116.36 3i28 s GLN 328 Ca 0.00 -0.81 -0.02 0.00 0.02 0.00 0.00 55.36 54.55 3i28 s GLN 328 Cb 0.11 0.35 -0.03 0.00 1.00 0.00 0.00 33.01 34.44 3i28 s GLN 328 CO 0.79 -0.27 0.02 0.00 -2.12 0.00 0.00 175.29 173.71 3i28 s ALA 329 N -3.42 0.28 0.10 6.09 0.00 -0.66 -4.70 121.76 119.45 3i28 s ALA 329 Ca 0.01 -0.96 -0.30 0.00 0.00 0.00 0.00 51.96 50.72 3i28 s ALA 329 Cb 0.03 0.28 -0.06 0.00 0.00 0.00 0.00 23.12 23.37 3i28 s ALA 329 CO -0.09 -0.35 0.99 0.54 0.00 0.00 0.00 175.76 176.85 3i28 s VAL 330 N -3.39 4.46 -0.22 0.00 0.11 -0.18 -1.27 120.40 119.91 3i28 s VAL 330 Ca 0.02 1.99 -0.05 0.00 -2.93 0.00 0.00 61.98 61.01 3i28 s VAL 330 Cb 0.04 -4.27 -0.02 0.00 -1.53 0.00 0.00 36.38 30.60 3i28 s VAL 330 CO -0.08 0.28 0.00 -0.36 -3.33 0.00 0.00 175.10 171.61 3i28 s PHE 331 N 0.15 3.02 -0.19 1.54 0.40 -0.16 -0.06 117.98 122.68 3i28 s PHE 331 Ca 0.48 -0.63 -0.00 0.00 -0.60 0.00 0.00 56.93 56.18 3i28 s PHE 331 Cb -0.24 -2.13 0.01 0.00 0.51 0.00 0.00 43.02 41.18 3i28 s PHE 331 CO 0.30 -0.38 -0.16 0.42 0.70 0.00 0.00 175.22 176.10 3i28 s ILE 332 N 1.33 2.40 0.19 0.64 1.01 -0.55 -1.11 121.20 125.10 3i28 s ILE 332 Ca 0.04 -0.85 0.11 0.00 0.00 0.00 0.00 60.65 59.95 3i28 s ILE 332 Cb -0.15 -2.04 -0.04 0.00 0.01 0.00 0.00 42.46 40.24 3i28 s ILE 332 CO 0.00 0.49 -0.22 -0.83 0.00 0.00 0.00 174.94 174.39 3i28 s GLY 333 N 1.33 1.63 -0.02 6.18 0.00 -0.11 -0.55 107.32 115.78 3i28 s GLY 333 Ca 0.05 -1.61 0.04 0.00 0.00 0.00 0.00 44.72 43.19 3i28 s GLY 333 CO -0.10 -1.65 -0.12 -1.58 0.00 0.00 0.00 173.10 169.65 3i28 s HIS 334 N -1.81 1.19 0.00 1.90 2.46 -0.62 -0.20 115.29 118.21 3i28 s HIS 334 Ca 0.20 -0.27 0.00 0.00 0.47 0.00 0.00 55.06 55.45 3i28 s HIS 334 Cb -0.07 -0.80 0.00 0.00 -0.13 0.00 0.00 32.58 31.58 3i28 s HIS 334 CO 0.09 -0.07 0.00 -3.47 -2.47 0.00 0.00 174.74 168.82 3i28 n ASP 335 N 3.01 0.00 -0.07 9.88 -0.08 -1.15 -1.31 116.55 126.82 3i28 n ASP 335 Ca -0.16 0.00 0.10 0.00 -1.51 0.00 0.00 54.79 53.22 3i28 n ASP 335 Cb 0.55 0.00 0.48 0.00 2.34 0.00 0.00 41.12 44.48 3i28 n ASP 335 CO 0.00 0.00 0.00 -0.50 0.12 0.00 0.00 177.20 176.82 3i28 h TRP 336 N 0.00 0.47 -0.26 -0.67 4.06 -1.90 0.10 115.95 117.76 3i28 h TRP 336 Ca 0.00 0.01 -0.02 0.00 2.06 0.00 0.00 58.89 60.94 3i28 h TRP 336 Cb 0.00 -0.15 -0.01 0.00 -1.00 0.00 0.00 29.16 27.99 3i28 h TRP 336 CO 0.00 0.24 0.06 0.78 -3.56 0.00 0.00 178.44 175.96 3i28 h GLY 337 N 0.46 0.39 1.14 1.49 0.00 -0.87 -1.81 103.07 103.87 3i28 h GLY 337 Ca 0.25 -0.19 -0.12 0.00 0.00 0.00 0.00 47.33 47.27 3i28 h GLY 337 CO -0.07 0.18 -0.18 -1.33 0.00 0.00 0.00 176.54 175.14 3i28 h GLY 338 N 0.57 1.08 1.03 4.60 0.00 -0.65 -1.85 103.07 107.86 3i28 h GLY 338 Ca 0.09 -0.92 -0.08 0.00 0.00 0.00 0.00 47.33 46.42 3i28 h GLY 338 CO -0.00 0.84 0.03 1.98 0.00 0.00 0.00 176.54 179.38 3i28 h MET 339 N 0.87 0.95 -0.57 4.80 -1.53 -1.05 -2.49 114.93 115.91 3i28 h MET 339 Ca 0.12 -0.29 0.04 0.00 -3.44 0.00 0.00 59.70 56.13 3i28 h MET 339 Cb 0.75 -0.09 -0.04 0.00 -0.55 0.00 0.00 31.60 31.66 3i28 h MET 339 CO 0.06 0.95 0.32 1.25 0.14 0.00 0.00 176.91 179.63 3i28 h LEU 340 N 0.84 0.51 -0.92 3.39 7.12 -1.17 -2.53 115.31 122.54 3i28 h LEU 340 Ca 0.16 0.01 -0.10 0.00 0.13 0.00 0.00 57.88 58.08 3i28 h LEU 340 Cb 0.50 -0.09 -0.01 0.00 -0.53 0.00 0.00 40.66 40.53 3i28 h LEU 340 CO 0.02 0.35 -0.31 0.58 -0.13 0.00 0.00 178.44 178.95 3i28 h VAL 341 N 0.63 1.28 -0.74 1.05 2.07 -1.18 -1.18 116.25 118.18 3i28 h VAL 341 Ca 0.24 -1.36 0.02 0.00 0.82 0.00 0.00 66.70 66.42 3i28 h VAL 341 Cb 0.08 1.46 -0.04 0.00 -1.52 0.00 0.00 31.29 31.27 3i28 h VAL 341 CO -0.13 0.42 0.47 -0.50 0.02 0.00 0.00 177.57 177.86 3i28 h TRP 342 N 0.36 0.89 -0.16 1.57 -0.00 -1.18 -1.65 115.95 115.79 3i28 h TRP 342 Ca 0.05 0.02 -0.11 0.00 -0.00 0.00 0.00 58.89 58.85 3i28 h TRP 342 Cb 0.73 -0.30 -0.01 0.00 -0.00 0.00 0.00 29.16 29.58 3i28 h TRP 342 CO 0.02 0.53 -0.39 1.88 -0.00 0.00 0.00 178.44 180.48 3i28 h TYR 343 N 0.94 0.41 -0.36 0.49 0.99 -1.00 -1.54 116.97 116.90 3i28 h TYR 343 Ca 0.29 -0.11 0.03 0.00 2.00 0.00 0.00 58.73 60.94 3i28 h TYR 343 Cb -0.03 -0.09 -0.03 0.00 1.00 0.00 0.00 36.73 37.57 3i28 h TYR 343 CO -0.03 0.70 0.16 0.52 -0.00 0.00 0.00 178.16 179.50 3i28 h MET 344 N 0.30 0.32 -0.90 4.88 2.86 -0.95 0.19 114.93 121.62 3i28 h MET 344 Ca 0.03 -0.02 0.04 0.00 -2.06 0.00 0.00 59.70 57.69 3i28 h MET 344 Cb 0.83 -0.07 -0.06 0.00 0.06 0.00 0.00 31.60 32.36 3i28 h MET 344 CO 0.07 0.21 0.58 0.00 1.06 0.00 0.00 176.91 178.83 3i28 h ALA 345 N 1.21 1.21 -0.04 6.32 0.00 -0.95 0.30 119.26 127.31 3i28 h ALA 345 Ca 0.16 -0.03 -0.19 0.00 0.00 0.00 0.00 54.91 54.84 3i28 h ALA 345 Cb 0.10 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 17.59 3i28 h ALA 345 CO -0.14 0.41 -0.80 -0.07 0.00 0.00 0.00 179.25 178.65 3i28 h LEU 346 N 1.10 0.44 0.00 0.00 3.38 -0.78 -3.22 115.31 116.23 3i28 h LEU 346 Ca 0.37 -0.31 -0.04 0.00 0.09 0.00 0.00 57.88 57.99 3i28 h LEU 346 Cb 0.06 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.67 3i28 h LEU 346 CO -0.14 1.07 -1.58 0.49 0.09 0.00 0.00 178.44 178.38 3i28 n PHE 347 N -3.78 0.00 -2.69 1.13 3.72 0.01 -4.73 117.46 111.11 3i28 n PHE 347 Ca -0.05 0.00 -0.16 0.00 -0.05 0.00 0.00 57.45 57.19 3i28 n PHE 347 Cb 0.75 -0.32 0.01 0.00 -0.94 0.00 0.00 39.48 38.98 3i28 n PHE 347 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 176.76 177.37 3i28 n TYR 348 N -2.00 1.84 -0.04 1.38 4.02 0.11 -4.93 117.16 117.54 3i28 n TYR 348 Ca -0.05 -3.07 0.08 0.00 -0.01 0.00 0.00 57.90 54.85 3i28 n TYR 348 Cb 0.41 -0.31 0.46 0.00 -0.02 0.00 0.00 39.34 39.89 3i28 n TYR 348 CO 0.00 0.00 0.00 -1.35 -1.01 0.00 0.00 176.86 174.50 3i28 h PRO 349 N 2.88 0.46 -0.08 -0.72 0.11 -1.59 -0.98 132.00 132.09 3i28 h PRO 349 Ca 0.05 -0.03 0.02 0.00 0.11 0.00 0.00 66.00 66.15 3i28 h PRO 349 Cb 1.04 -0.10 -0.00 0.00 0.11 0.00 0.00 31.00 32.05 3i28 h PRO 349 CO 0.62 0.31 0.06 0.93 -0.21 0.00 0.00 178.00 179.70 3i28 h GLU 350 N 0.48 0.00 -0.00 1.05 3.07 -1.91 -2.13 114.58 115.13 3i28 h GLU 350 Ca 0.21 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.07 3i28 h GLU 350 Cb 0.23 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.14 3i28 h GLU 350 CO -0.05 0.00 -0.56 0.54 -1.40 0.00 0.00 179.01 177.53 3i28 n ARG 351 N -4.34 0.41 -3.75 2.33 5.12 -0.38 -4.77 116.66 111.29 3i28 n ARG 351 Ca -0.01 -0.29 -0.38 0.00 -1.93 0.00 0.00 57.85 55.24 3i28 n ARG 351 Cb 0.17 -1.49 -0.12 0.00 -1.16 0.00 0.00 32.46 29.85 3i28 n ARG 351 CO 0.00 0.00 0.00 0.08 -1.93 0.00 0.00 177.63 175.78 3i28 s VAL 352 N -2.79 3.93 0.19 1.55 1.01 -0.80 -1.66 120.40 121.83 3i28 s VAL 352 Ca 0.15 -0.86 -0.05 0.00 0.00 0.00 0.00 61.98 61.22 3i28 s VAL 352 Cb 0.18 -3.10 -0.03 0.00 0.00 0.00 0.00 36.38 33.42 3i28 s VAL 352 CO 0.68 -0.03 1.53 -0.09 0.00 0.00 0.00 175.10 177.19 3i28 h ARG 353 N 8.24 0.67 -2.07 2.72 2.43 -1.45 -3.47 114.38 121.45 3i28 h ARG 353 Ca -0.28 -0.37 0.15 0.00 -0.81 0.00 0.00 59.98 58.67 3i28 h ARG 353 Cb 1.11 0.02 -0.16 0.00 -0.42 0.00 0.00 29.97 30.52 3i28 h ARG 353 CO 0.61 0.98 0.58 0.00 -1.51 0.00 0.00 179.97 180.62 3i28 s ALA 354 N -4.21 -1.88 -0.01 2.80 0.00 -1.26 -4.54 121.76 112.66 3i28 s ALA 354 Ca -0.08 1.11 0.01 0.00 0.00 0.00 0.00 51.96 53.00 3i28 s ALA 354 Cb 0.12 0.30 -0.00 0.00 0.00 0.00 0.00 23.12 23.53 3i28 s ALA 354 CO 0.85 -0.69 -0.04 0.54 0.00 0.00 0.00 175.76 176.41 3i28 s VAL 355 N -2.94 0.34 -0.04 0.00 0.11 -0.53 -0.99 120.40 116.35 3i28 s VAL 355 Ca 0.07 -0.17 -0.04 0.00 -2.93 0.00 0.00 61.98 58.91 3i28 s VAL 355 Cb -0.01 -0.31 0.01 0.00 -1.53 0.00 0.00 36.38 34.55 3i28 s VAL 355 CO -0.07 0.11 0.12 0.00 -3.33 0.00 0.00 175.10 171.92 3i28 s ALA 356 N 0.02 -0.27 -0.06 1.54 0.00 -0.26 -1.23 121.76 121.49 3i28 s ALA 356 Ca 0.00 0.36 0.05 0.00 0.00 0.00 0.00 51.96 52.38 3i28 s ALA 356 Cb -0.03 -0.22 -0.01 0.00 0.00 0.00 0.00 23.12 22.86 3i28 s ALA 356 CO -0.00 -0.07 -0.23 0.45 0.00 0.00 0.00 175.76 175.91 3i28 s SER 357 N 0.22 2.87 -0.25 0.00 0.15 -0.61 -0.93 113.70 115.15 3i28 s SER 357 Ca -0.01 -0.48 -0.18 0.00 0.70 0.00 0.00 55.95 55.97 3i28 s SER 357 Cb -0.02 -0.88 -0.03 0.00 -1.71 0.00 0.00 66.02 63.37 3i28 s SER 357 CO -0.01 0.21 0.52 -0.76 1.20 0.00 0.00 173.24 174.40 3i28 s LEU 358 N -0.03 4.07 0.00 3.45 1.43 0.73 -1.27 118.68 127.05 3i28 s LEU 358 Ca -0.06 0.56 0.00 0.00 -1.03 0.00 0.00 54.13 53.60 3i28 s LEU 358 Cb -0.14 -2.68 0.00 0.00 0.03 0.00 0.00 46.19 43.40 3i28 s LEU 358 CO 0.04 -0.27 0.00 0.59 0.23 0.00 0.00 176.35 176.94 3i28 n ASN 359 N 5.39 0.00 -4.65 2.29 4.13 0.76 -2.94 115.26 120.24 3i28 n ASN 359 Ca -0.04 0.00 -0.43 0.00 1.68 0.00 0.00 54.58 55.79 3i28 n ASN 359 Cb 0.50 0.00 -0.02 0.00 -1.54 0.00 0.00 39.78 38.72 3i28 n ASN 359 CO 0.00 0.00 0.00 -0.89 0.28 0.00 0.00 177.26 176.65 3i28 s THR 360 N 0.00 4.59 0.62 3.41 2.01 -1.26 -4.80 115.64 120.20 3i28 s THR 360 Ca 0.00 1.89 -0.11 0.00 0.31 0.00 0.00 61.69 63.78 3i28 s THR 360 Cb 0.00 -4.32 -0.04 0.00 0.01 0.00 0.00 72.50 68.15 3i28 s THR 360 CO 0.00 -0.28 1.02 -2.16 -0.69 0.00 0.00 174.62 172.51 3i28 s PRO 361 N 3.39 3.53 -0.33 4.92 0.04 -1.26 -4.82 135.00 140.47 3i28 s PRO 361 Ca 0.45 0.70 -0.21 0.00 0.04 0.00 0.00 61.00 61.98 3i28 s PRO 361 Cb -0.15 -2.09 -0.00 0.00 0.04 0.00 0.00 34.50 32.30 3i28 s PRO 361 CO 0.10 -0.59 0.66 0.12 0.04 0.00 0.00 177.00 177.33 3i28 s PHE 362 N -3.17 3.18 -0.25 0.56 5.36 -1.26 -4.89 117.98 117.50 3i28 s PHE 362 Ca 0.55 0.52 0.00 0.00 -0.96 0.00 0.00 56.93 57.04 3i28 s PHE 362 Cb -0.11 -3.11 0.04 0.00 -0.34 0.00 0.00 43.02 39.50 3i28 s PHE 362 CO 0.53 -0.56 -0.09 0.42 -1.46 0.00 0.00 175.22 174.06 3i28 s ILE 363 N 2.73 2.55 0.64 3.12 -1.09 -1.26 -4.73 121.20 123.16 3i28 s ILE 363 Ca 0.26 -1.27 -0.18 0.00 -2.23 0.00 0.00 60.65 57.23 3i28 s ILE 363 Cb -0.14 -2.36 -0.01 0.00 -1.58 0.00 0.00 42.46 38.36 3i28 s ILE 363 CO 0.13 0.12 1.27 -2.16 -1.23 0.00 0.00 174.94 173.07 3i28 s PRO 364 N 1.23 2.60 0.44 2.79 0.04 -1.26 -4.94 135.00 135.90 3i28 s PRO 364 Ca -0.03 1.98 -0.25 0.00 0.04 0.00 0.00 61.00 62.74 3i28 s PRO 364 Cb -0.18 -1.86 -0.08 0.00 0.04 0.00 0.00 34.50 32.42 3i28 s PRO 364 CO -0.05 -1.54 1.40 0.00 0.04 0.00 0.00 177.00 176.85 3i28 s ALA 365 N -1.49 3.24 -0.53 8.56 0.00 -1.26 -4.98 121.76 125.29 3i28 s ALA 365 Ca 0.81 1.42 -0.18 0.00 0.00 0.00 0.00 51.96 54.01 3i28 s ALA 365 Cb -0.35 -3.57 0.09 0.00 0.00 0.00 0.00 23.12 19.28 3i28 s ALA 365 CO 0.39 -1.12 0.59 1.21 0.00 0.00 0.00 175.76 176.83 3i28 s ASN 366 N -0.55 6.19 0.09 0.00 3.84 -1.26 -4.94 114.94 118.32 3i28 s ASN 366 Ca 0.60 -1.28 0.12 0.00 0.21 0.00 0.00 52.86 52.50 3i28 s ASN 366 Cb -0.43 -2.26 0.54 0.00 -0.55 0.00 0.00 41.25 38.55 3i28 s ASN 366 CO 0.55 -0.91 1.36 -0.81 -2.79 0.00 0.00 177.10 174.49 3i28 n PRO 367 N 5.92 0.05 -0.41 0.43 -0.04 -1.26 -1.95 135.00 137.74 3i28 n PRO 367 Ca -0.10 0.44 0.08 0.00 -0.04 0.00 0.00 63.50 63.88 3i28 n PRO 367 Cb 0.43 -1.64 0.25 0.00 -0.04 0.00 0.00 33.50 32.51 3i28 n PRO 367 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 3i28 n ASN 368 N -1.74 3.83 -3.71 3.54 3.02 -1.26 -4.94 115.26 114.00 3i28 n ASN 368 Ca 0.01 -2.49 -0.11 0.00 -0.03 0.00 0.00 54.58 51.96 3i28 n ASN 368 Cb 0.09 -0.45 -0.11 0.00 -0.61 0.00 0.00 39.78 38.71 3i28 n ASN 368 CO 0.00 0.00 0.00 -0.04 -2.62 0.00 0.00 177.26 174.60 3i28 s MET 369 N -1.89 0.39 0.42 3.52 -1.94 -0.82 -5.14 119.30 113.84 3i28 s MET 369 Ca 0.38 0.72 -0.25 0.00 -1.71 0.00 0.00 55.69 54.83 3i28 s MET 369 Cb 0.26 0.02 -0.08 0.00 2.01 0.00 0.00 34.83 37.04 3i28 s MET 369 CO 0.16 -0.14 1.23 -1.12 -0.01 0.00 0.00 175.02 175.15 3i28 s SER 370 N 1.15 6.27 0.37 3.03 0.01 -1.26 -4.71 113.70 118.56 3i28 s SER 370 Ca -0.08 2.49 0.08 0.00 1.31 0.00 0.00 55.95 59.76 3i28 s SER 370 Cb -0.07 -2.62 0.82 0.00 0.21 0.00 0.00 66.02 64.35 3i28 s SER 370 CO -0.10 -0.86 1.94 -0.65 0.41 0.00 0.00 173.24 173.98 3i28 h PRO 371 N 2.45 0.65 -0.37 12.44 0.11 -1.91 -1.38 132.00 143.99 3i28 h PRO 371 Ca -0.49 -0.04 0.02 0.00 0.11 0.00 0.00 66.00 65.60 3i28 h PRO 371 Cb 1.25 -0.15 -0.03 0.00 0.11 0.00 0.00 31.00 32.18 3i28 h PRO 371 CO 0.62 0.43 0.21 1.25 -0.21 0.00 0.00 178.00 180.30 3i28 h LEU 372 N 0.67 0.33 -0.26 2.35 5.85 -1.94 -1.15 115.31 121.16 3i28 h LEU 372 Ca 0.35 0.01 0.03 0.00 0.84 0.00 0.00 57.88 59.11 3i28 h LEU 372 Cb 0.45 -0.06 -0.03 0.00 0.37 0.00 0.00 40.66 41.39 3i28 h LEU 372 CO -0.13 0.24 0.05 -0.33 -0.34 0.00 0.00 178.44 177.94 3i28 h GLU 373 N 0.42 0.15 -0.86 1.25 5.08 -1.65 -1.84 114.58 117.13 3i28 h GLU 373 Ca 0.15 -0.01 0.05 0.00 -1.00 0.00 0.00 59.36 58.55 3i28 h GLU 373 Cb 0.02 -0.03 -0.05 0.00 0.50 0.00 0.00 28.75 29.19 3i28 h GLU 373 CO -0.08 0.10 0.57 0.77 -1.00 0.00 0.00 179.01 179.36 3i28 h SER 374 N 0.15 0.89 -0.56 1.42 0.02 -0.97 -1.97 113.55 112.53 3i28 h SER 374 Ca 0.12 -0.00 -0.11 0.00 -0.84 0.00 0.00 61.79 60.96 3i28 h SER 374 Cb 0.12 -0.20 -0.02 0.00 0.14 0.00 0.00 62.40 62.44 3i28 h SER 374 CO -0.16 0.59 -0.06 0.40 -1.14 0.00 0.00 176.83 176.47 3i28 h ILE 375 N 1.02 1.27 -0.96 3.27 1.08 -0.74 -2.75 117.51 119.70 3i28 h ILE 375 Ca 0.36 -1.22 0.05 0.00 -0.39 0.00 0.00 64.86 63.66 3i28 h ILE 375 Cb 0.12 0.88 -0.06 0.00 -3.07 0.00 0.00 36.82 34.69 3i28 h ILE 375 CO -0.12 0.44 0.62 0.11 -0.69 0.00 0.00 178.15 178.51 3i28 h LYS 376 N 0.94 1.14 -1.82 2.37 1.79 -0.63 -3.13 116.57 117.23 3i28 h LYS 376 Ca 0.16 -0.07 0.00 0.00 -2.18 0.00 0.00 60.65 58.56 3i28 h LYS 376 Cb 0.62 -0.26 0.00 0.00 -1.58 0.00 0.00 32.23 31.01 3i28 h LYS 376 CO 0.04 0.76 0.00 0.00 -1.08 0.00 0.00 179.45 179.17 3i28 n ALA 377 N -2.36 2.74 -3.15 3.86 0.00 -0.87 -4.40 120.51 116.33 3i28 n ALA 377 Ca 0.13 0.00 0.05 0.00 0.00 0.00 0.00 53.44 53.62 3i28 n ALA 377 Cb 0.12 -1.28 -0.01 0.00 0.00 0.00 0.00 19.45 18.29 3i28 n ALA 377 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 3i28 s ASN 378 N 1.70 -0.72 0.26 0.00 3.84 -1.19 -5.05 114.94 113.78 3i28 s ASN 378 Ca 0.00 0.24 -0.03 0.00 0.21 0.00 0.00 52.86 53.28 3i28 s ASN 378 Cb 0.00 1.52 0.53 0.00 -0.55 0.00 0.00 41.25 42.75 3i28 s ASN 378 CO 0.00 -0.13 1.70 -0.65 -2.79 0.00 0.00 177.10 175.23 3i28 h PRO 379 N 7.71 0.35 0.00 0.43 0.11 -1.85 -0.97 132.00 137.79 3i28 h PRO 379 Ca -0.11 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.98 3i28 h PRO 379 Cb 1.18 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.21 3i28 h PRO 379 CO -0.02 0.23 0.00 1.33 -0.21 0.00 0.00 178.00 179.33 3i28 n VAL 380 N -5.07 0.60 0.69 3.15 0.24 -1.26 -2.02 118.33 114.66 3i28 n VAL 380 Ca 0.16 0.15 0.11 0.00 -2.04 0.00 0.00 64.34 62.72 3i28 n VAL 380 Cb 0.49 -0.89 0.28 0.00 -1.47 0.00 0.00 33.84 32.25 3i28 n VAL 380 CO 0.00 0.00 0.00 0.49 -2.14 0.00 0.00 176.83 175.18 3i28 n PHE 381 N -1.31 0.40 -0.21 6.34 3.01 -0.37 -4.59 117.46 120.74 3i28 n PHE 381 Ca 0.07 -0.20 0.05 0.00 1.01 0.00 0.00 57.45 58.38 3i28 n PHE 381 Cb 0.13 0.00 0.31 0.00 -0.01 0.00 0.00 39.48 39.91 3i28 n PHE 381 CO 0.00 0.00 0.00 0.22 1.01 0.00 0.00 176.76 177.99 3i28 h ASP 382 N 3.41 0.75 -0.05 4.37 3.58 -1.48 -1.14 116.42 125.87 3i28 h ASP 382 Ca 0.00 0.00 0.01 0.00 0.42 0.00 0.00 57.03 57.47 3i28 h ASP 382 Cb 0.75 -0.16 -0.00 0.00 1.72 0.00 0.00 39.33 41.64 3i28 h ASP 382 CO 0.00 0.49 0.07 0.10 -2.88 0.00 0.00 179.24 177.03 3i28 h TYR 383 N 0.85 0.00 -0.12 0.28 -0.00 -1.77 -1.91 116.97 114.30 3i28 h TYR 383 Ca 0.32 0.00 -0.11 0.00 0.00 0.00 0.00 58.73 58.94 3i28 h TYR 383 Cb 0.18 0.00 -0.01 0.00 0.00 0.00 0.00 36.73 36.90 3i28 h TYR 383 CO -0.00 0.00 -0.41 1.96 -0.00 0.00 0.00 178.16 179.71 3i28 h GLN 384 N 0.00 0.27 -0.43 0.10 4.20 -1.54 -2.11 115.11 115.60 3i28 h GLN 384 Ca 0.02 -0.13 -0.15 0.00 0.06 0.00 0.00 58.65 58.46 3i28 h GLN 384 Cb 0.17 -0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.94 3i28 h GLN 384 CO -0.00 0.64 -0.31 -0.07 -0.67 0.00 0.00 178.83 178.42 3i28 h LEU 385 N 0.23 1.01 -1.14 1.46 3.38 -1.49 -2.50 115.31 116.25 3i28 h LEU 385 Ca 0.02 -0.43 0.16 0.00 0.09 0.00 0.00 57.88 57.72 3i28 h LEU 385 Cb 0.82 -0.28 -0.09 0.00 0.09 0.00 0.00 40.66 41.20 3i28 h LEU 385 CO 0.06 1.23 0.61 0.22 0.09 0.00 0.00 178.44 180.65 3i28 h TYR 386 N 0.81 0.96 0.00 1.13 3.20 -1.42 -1.26 116.97 120.39 3i28 h TYR 386 Ca 0.08 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.98 3i28 h TYR 386 Cb 0.90 -0.30 0.00 0.00 1.54 0.00 0.00 36.73 38.87 3i28 h TYR 386 CO 0.06 0.31 0.00 0.74 -1.64 0.00 0.00 178.16 177.63 3i28 h PHE 387 N 0.77 0.00 0.27 -3.82 0.04 -0.93 -3.37 116.94 109.90 3i28 h PHE 387 Ca 0.51 0.00 -0.01 0.00 2.80 0.00 0.00 57.97 61.26 3i28 h PHE 387 Cb 0.77 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.92 3i28 h PHE 387 CO -0.00 0.00 -0.13 1.96 -0.60 0.00 0.00 178.31 179.54 3i28 h GLN 388 N 0.00 -0.35 -6.27 1.51 1.08 -1.13 -3.42 115.11 106.52 3i28 h GLN 388 Ca 0.00 0.02 -0.56 0.00 -1.45 0.00 0.00 58.65 56.66 3i28 h GLN 388 Cb 0.45 0.08 -0.03 0.00 -0.05 0.00 0.00 27.48 27.94 3i28 h GLN 388 CO 0.00 -0.13 1.07 -2.00 -0.95 0.00 0.00 178.83 176.82 3i28 s GLU 389 N -5.49 3.93 0.15 1.46 2.56 -1.26 -4.92 118.70 115.12 3i28 s GLU 389 Ca -0.15 1.68 -0.33 0.00 0.00 0.00 0.00 54.97 56.16 3i28 s GLU 389 Cb 0.04 -3.97 -0.13 0.00 2.00 0.00 0.00 34.13 32.07 3i28 s GLU 389 CO 0.62 -1.12 1.64 -2.30 -0.56 0.00 0.00 175.26 173.53 3i28 n PRO 390 N 7.39 2.29 0.00 4.30 -0.02 -1.26 -2.83 135.00 144.87 3i28 n PRO 390 Ca 0.17 0.83 0.00 0.00 -2.02 0.00 0.00 63.50 62.48 3i28 n PRO 390 Cb 0.45 -2.62 0.00 0.00 -0.02 0.00 0.00 33.50 31.31 3i28 n PRO 390 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3i28 n GLY 391 N 3.62 2.91 0.35 -1.23 0.00 -1.26 -4.93 105.19 104.64 3i28 n GLY 391 Ca 0.17 -0.81 -0.13 0.00 0.00 0.00 0.00 46.02 45.24 3i28 n GLY 391 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3i28 h VAL 392 N 0.00 0.00 -0.16 1.61 2.07 -1.87 -2.41 116.25 115.48 3i28 h VAL 392 Ca 0.00 0.00 -0.06 0.00 0.82 0.00 0.00 66.70 67.46 3i28 h VAL 392 Cb 0.00 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 29.76 3i28 h VAL 392 CO 0.00 0.00 -0.16 0.00 0.02 0.00 0.00 177.57 177.43 3i28 h ALA 393 N -1.40 1.42 -0.73 1.67 0.00 -1.79 -2.88 119.26 115.56 3i28 h ALA 393 Ca -0.07 -0.24 0.04 0.00 0.00 0.00 0.00 54.91 54.64 3i28 h ALA 393 Cb 0.66 -0.09 -0.05 0.00 0.00 0.00 0.00 17.79 18.31 3i28 h ALA 393 CO 0.07 0.40 0.45 0.93 0.00 0.00 0.00 179.25 181.10 3i28 h GLU 394 N 0.25 0.84 -0.63 0.00 3.07 -1.89 -0.46 114.58 115.77 3i28 h GLU 394 Ca 0.05 -0.05 -0.05 0.00 -0.50 0.00 0.00 59.36 58.80 3i28 h GLU 394 Cb 0.44 -0.19 -0.03 0.00 -0.84 0.00 0.00 28.75 28.14 3i28 h GLU 394 CO 0.03 0.56 0.18 0.00 -1.40 0.00 0.00 179.01 178.38 3i28 h ALA 395 N 1.32 0.83 -0.23 3.43 0.00 -1.21 0.41 119.26 123.80 3i28 h ALA 395 Ca 0.30 -0.22 -0.18 0.00 0.00 0.00 0.00 54.91 54.81 3i28 h ALA 395 Cb 0.05 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 17.60 3i28 h ALA 395 CO -0.12 0.51 -0.59 1.49 0.00 0.00 0.00 179.25 180.54 3i28 h GLU 396 N 0.91 0.73 0.00 0.00 4.81 -1.36 -2.45 114.58 117.23 3i28 h GLU 396 Ca 0.20 -0.49 -0.17 0.00 -0.13 0.00 0.00 59.36 58.77 3i28 h GLU 396 Cb 0.31 0.07 -0.02 0.00 0.63 0.00 0.00 28.75 29.74 3i28 h GLU 396 CO -0.00 1.11 -0.81 -0.07 -0.73 0.00 0.00 179.01 178.50 3i28 h LEU 397 N 0.55 0.05 0.00 1.64 3.38 -0.93 -3.28 115.31 116.72 3i28 h LEU 397 Ca 0.00 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.93 3i28 h LEU 397 Cb 1.18 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.91 3i28 h LEU 397 CO 0.12 0.84 -0.50 -0.33 0.09 0.00 0.00 178.44 178.66 3i28 h GLU 398 N 0.02 0.00 -0.21 1.13 5.08 -0.95 -3.39 114.58 116.26 3i28 h GLU 398 Ca -0.01 0.00 0.05 0.00 -1.00 0.00 0.00 59.36 58.40 3i28 h GLU 398 Cb 1.43 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 30.63 3i28 h GLU 398 CO 0.11 0.00 -0.15 0.37 -1.00 0.00 0.00 179.01 178.34 3i28 h GLN 399 N 0.00 -0.14 -2.94 2.33 5.75 -1.49 -3.37 115.11 115.25 3i28 h GLN 399 Ca 0.00 0.01 -0.55 0.00 -0.15 0.00 0.00 58.65 57.96 3i28 h GLN 399 Cb 0.92 0.03 -0.40 0.00 1.07 0.00 0.00 27.48 29.10 3i28 h GLN 399 CO 0.00 -0.10 -0.78 1.21 -2.65 0.00 0.00 178.83 176.51 3i28 s ASN 400 N -5.09 3.57 0.11 -0.69 3.84 -1.26 -5.04 114.94 110.38 3i28 s ASN 400 Ca -0.14 -1.55 -0.16 0.00 0.21 0.00 0.00 52.86 51.21 3i28 s ASN 400 Cb 0.11 -0.50 -0.04 0.00 -0.55 0.00 0.00 41.25 40.27 3i28 s ASN 400 CO 0.68 -0.41 1.57 -0.07 -2.79 0.00 0.00 177.10 176.08 3i28 h LEU 401 N 8.06 0.56 -0.75 3.21 3.38 -1.78 -0.31 115.31 127.69 3i28 h LEU 401 Ca -0.14 -0.29 0.07 0.00 0.09 0.00 0.00 57.88 57.62 3i28 h LEU 401 Cb 1.00 -0.15 -0.06 0.00 0.09 0.00 0.00 40.66 41.54 3i28 h LEU 401 CO 0.42 0.71 0.43 -1.28 0.09 0.00 0.00 178.44 178.81 3i28 h SER 402 N 0.39 0.64 -0.35 -0.43 0.87 -1.94 -1.58 113.55 111.15 3i28 h SER 402 Ca 0.10 0.03 -0.01 0.00 -1.23 0.00 0.00 61.79 60.68 3i28 h SER 402 Cb 0.40 -0.09 -0.02 0.00 -0.44 0.00 0.00 62.40 62.25 3i28 h SER 402 CO 0.01 0.40 0.16 -0.09 -0.53 0.00 0.00 176.83 176.78 3i28 h ARG 403 N 0.77 0.51 -0.31 2.24 2.43 -1.74 -1.37 114.38 116.91 3i28 h ARG 403 Ca 0.34 -0.08 0.07 0.00 -0.81 0.00 0.00 59.98 59.51 3i28 h ARG 403 Cb 0.24 -0.09 -0.08 0.00 -0.42 0.00 0.00 29.97 29.62 3i28 h ARG 403 CO -0.20 0.47 -0.23 1.15 -1.51 0.00 0.00 179.97 179.65 3i28 h THR 404 N 0.43 0.40 0.03 0.20 2.02 -0.15 -0.55 112.91 115.29 3i28 h THR 404 Ca 0.12 0.00 -0.22 0.00 0.77 0.00 0.00 66.41 67.08 3i28 h THR 404 Cb 0.14 0.40 -0.01 0.00 -1.74 0.00 0.00 68.15 66.94 3i28 h THR 404 CO -0.01 0.00 -0.99 -0.26 0.37 0.00 0.00 175.52 174.63 3i28 h PHE 405 N -0.20 0.36 -0.01 3.16 0.04 -1.25 -1.56 116.94 117.48 3i28 h PHE 405 Ca 0.16 -0.22 -0.07 0.00 2.80 0.00 0.00 57.97 60.64 3i28 h PHE 405 Cb 0.45 -0.03 -0.01 0.00 2.20 0.00 0.00 35.95 38.55 3i28 h PHE 405 CO -0.41 1.08 -0.33 0.87 -0.60 0.00 0.00 178.31 178.91 3i28 h LYS 406 N 0.11 0.01 0.04 1.51 1.57 -1.11 -0.96 116.57 117.75 3i28 h LYS 406 Ca -0.07 -0.00 -0.25 0.00 -1.87 0.00 0.00 60.65 58.46 3i28 h LYS 406 Cb 1.66 -0.00 0.01 0.00 0.08 0.00 0.00 32.23 33.97 3i28 h LYS 406 CO 0.16 0.35 -1.06 0.77 -0.57 0.00 0.00 179.45 179.10 3i28 h SER 407 N 0.01 0.59 0.10 0.86 0.02 -0.88 -3.38 113.55 110.87 3i28 h SER 407 Ca -0.00 -0.51 -0.00 0.00 -0.84 0.00 0.00 61.79 60.43 3i28 h SER 407 Cb 0.60 -0.18 0.00 0.00 0.14 0.00 0.00 62.40 62.95 3i28 h SER 407 CO 0.04 1.33 -0.05 -0.07 -1.14 0.00 0.00 176.83 176.95 3i28 h LEU 408 N 0.22 -0.11 -7.90 5.07 3.38 -1.13 -3.39 115.31 111.44 3i28 h LEU 408 Ca -0.11 -0.43 -0.62 0.00 0.09 0.00 0.00 57.88 56.81 3i28 h LEU 408 Cb 1.72 0.03 -0.08 0.00 0.09 0.00 0.00 40.66 42.42 3i28 h LEU 408 CO 0.19 0.53 1.98 -0.36 0.09 0.00 0.00 178.44 180.86 3i28 s PHE 409 N -2.86 2.63 0.00 1.13 0.08 -0.38 -4.89 117.98 113.70 3i28 s PHE 409 Ca -0.12 -1.24 0.01 0.00 0.12 0.00 0.00 56.93 55.70 3i28 s PHE 409 Cb -0.00 -4.64 -0.01 0.00 -0.57 0.00 0.00 43.02 37.80 3i28 s PHE 409 CO 0.44 -1.73 -0.05 1.03 -0.10 0.00 0.00 175.22 174.82 3i28 s ARG 410 N 4.64 0.36 0.90 0.44 0.52 -1.26 -4.58 118.95 119.97 3i28 s ARG 410 Ca 0.56 -0.22 -0.11 0.00 -0.52 0.00 0.00 55.73 55.44 3i28 s ARG 410 Cb 0.03 -0.31 0.13 0.00 0.52 0.00 0.00 34.95 35.32 3i28 s ARG 410 CO 0.07 0.08 1.11 0.00 0.02 0.00 0.00 175.30 176.59 3i28 s ALA 411 N -0.27 1.50 0.54 2.13 0.00 -1.26 -4.85 121.76 119.55 3i28 s ALA 411 Ca -0.00 0.35 0.24 0.00 0.00 0.00 0.00 51.96 52.55 3i28 s ALA 411 Cb -0.03 -3.35 1.40 0.00 0.00 0.00 0.00 23.12 21.14 3i28 s ALA 411 CO -0.00 -2.55 2.03 0.66 0.00 0.00 0.00 175.76 175.90 3i28 h SER 412 N -1.71 0.00 0.84 0.00 4.64 -1.91 0.08 113.55 115.49 3i28 h SER 412 Ca -0.46 0.00 -0.24 0.00 -0.47 0.00 0.00 61.79 60.63 3i28 h SER 412 Cb 1.27 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 63.33 3i28 h SER 412 CO 0.47 0.00 -1.16 -2.24 -0.87 0.00 0.00 176.83 173.02 3i28 h ASP 413 N 0.00 0.09 -0.05 4.97 3.04 -1.98 -3.34 116.42 119.15 3i28 h ASP 413 Ca 0.19 -0.11 0.00 0.00 -3.24 0.00 0.00 57.03 53.87 3i28 h ASP 413 Cb 0.79 -0.03 0.00 0.00 -1.04 0.00 0.00 39.33 39.04 3i28 h ASP 413 CO -0.00 1.09 0.00 -0.62 -2.04 0.00 0.00 179.24 177.67 3i28 n GLU 414 N -3.35 1.17 -0.78 4.15 1.02 0.01 -4.95 120.64 117.90 3i28 n GLU 414 Ca -0.05 -0.25 -0.19 0.00 -0.02 0.00 0.00 57.16 56.66 3i28 n GLU 414 Cb 0.97 -1.23 0.05 0.00 -0.02 0.00 0.00 31.44 31.21 3i28 n GLU 414 CO 0.00 0.00 0.00 0.43 1.18 0.00 0.00 177.13 178.74 3i28 n SER 415 N -0.46 -2.55 -0.71 1.62 7.64 -1.21 -4.87 113.62 113.08 3i28 n SER 415 Ca 0.11 -0.08 0.00 0.00 1.01 0.00 0.00 58.87 59.90 3i28 n SER 415 Cb 0.10 -0.58 0.00 0.00 -1.01 0.00 0.00 64.21 62.72 3i28 n SER 415 CO 0.00 0.00 0.00 1.33 -3.01 0.00 0.00 175.04 173.36 3i28 n VAL 416 N -3.54 0.00 -2.32 0.44 0.24 -1.26 -5.12 118.33 106.77 3i28 n VAL 416 Ca 0.00 0.00 -0.26 0.00 -2.04 0.00 0.00 64.34 62.05 3i28 n VAL 416 Cb 0.36 0.00 0.05 0.00 -1.47 0.00 0.00 33.84 32.78 3i28 n VAL 416 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 3i28 s LEU 417 N 0.00 3.02 -0.57 1.34 1.02 -1.26 -4.87 118.68 117.36 3i28 s LEU 417 Ca 0.00 0.51 -0.05 0.00 0.02 0.00 0.00 54.13 54.61 3i28 s LEU 417 Cb 0.00 -3.25 0.15 0.00 0.02 0.00 0.00 46.19 43.11 3i28 s LEU 417 CO 0.00 -1.35 0.40 -0.94 0.02 0.00 0.00 176.35 174.48 3i28 s SER 418 N -4.43 5.51 0.00 2.29 1.04 -1.26 -4.97 113.70 111.88 3i28 s SER 418 Ca 0.57 -2.45 0.00 0.00 0.48 0.00 0.00 55.95 54.55 3i28 s SER 418 Cb -0.11 -1.92 0.00 0.00 0.10 0.00 0.00 66.02 64.09 3i28 s SER 418 CO 0.44 -0.50 0.43 0.23 0.98 0.00 0.00 173.24 174.82 3i28 n MET 419 N 4.09 0.51 -4.00 4.02 2.81 -1.26 -4.69 117.12 118.61 3i28 n MET 419 Ca 0.03 0.00 -0.36 0.00 -1.81 0.00 0.00 57.70 55.56 3i28 n MET 419 Cb 0.40 -1.08 -0.08 0.00 -0.71 0.00 0.00 33.22 31.75 3i28 n MET 419 CO 0.00 0.00 0.00 -3.38 1.51 0.00 0.00 175.97 174.10 3i28 s HIS 420 N -1.67 3.43 -1.06 2.03 -3.43 -1.26 -2.83 115.29 110.49 3i28 s HIS 420 Ca 0.00 0.37 -0.03 0.00 -0.80 0.00 0.00 55.06 54.59 3i28 s HIS 420 Cb 0.00 -1.95 0.00 0.00 -1.43 0.00 0.00 32.58 29.20 3i28 s HIS 420 CO 0.00 0.54 0.41 1.17 -2.00 0.00 0.00 174.74 174.86 3i28 n LYS 421 N 2.41 -3.30 -0.05 -0.38 4.81 -1.26 -4.93 118.16 115.46 3i28 n LYS 421 Ca -0.19 0.62 -0.16 0.00 -0.87 0.00 0.00 58.31 57.72 3i28 n LYS 421 Cb 0.54 -4.88 -0.06 0.00 0.02 0.00 0.00 35.03 30.65 3i28 n LYS 421 CO 0.00 0.00 0.00 0.28 1.17 0.00 0.00 177.40 178.85 3i28 h VAL 422 N -0.93 1.31 0.03 3.15 2.07 -1.84 -1.90 116.25 118.13 3i28 h VAL 422 Ca -0.36 -1.76 0.01 0.00 0.82 0.00 0.00 66.70 65.40 3i28 h VAL 422 Cb 1.25 1.90 -0.01 0.00 -1.52 0.00 0.00 31.29 32.91 3i28 h VAL 422 CO 0.39 0.55 -0.06 0.00 0.02 0.00 0.00 177.57 178.47 3i28 h GLU 424 N -0.12 0.81 0.00 0.00 4.81 -1.97 -1.08 114.58 117.04 3i28 h GLU 424 Ca 0.02 -0.17 -0.06 0.00 -0.13 0.00 0.00 59.36 59.01 3i28 h GLU 424 Cb 0.13 -0.12 -0.01 0.00 0.63 0.00 0.00 28.75 29.39 3i28 h GLU 424 CO -0.04 0.75 -0.28 0.00 -0.73 0.00 0.00 179.01 178.71 3i28 h ALA 425 N 1.33 1.11 0.00 2.92 0.00 -1.07 -3.47 119.26 120.08 3i28 h ALA 425 Ca 0.17 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.83 3i28 h ALA 425 Cb 0.32 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.07 3i28 h ALA 425 CO 0.00 0.35 0.00 0.41 0.00 0.00 0.00 179.25 180.01 3i28 n GLY 426 N -0.08 0.65 0.00 0.00 0.00 0.59 -4.93 105.19 101.42 3i28 n GLY 426 Ca -0.01 -0.55 0.00 0.00 0.00 0.00 0.00 46.02 45.47 3i28 n GLY 426 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i28 n GLY 427 N -2.58 2.54 0.22 -0.02 0.00 -0.76 -4.94 105.19 99.65 3i28 n GLY 427 Ca 0.00 -1.00 -0.13 0.00 0.00 0.00 0.00 46.02 44.89 3i28 n GLY 427 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3i28 h LEU 428 N 0.00 0.79 -3.12 0.99 -0.00 -1.96 -3.33 115.31 108.68 3i28 h LEU 428 Ca 0.00 -0.47 0.00 0.00 -0.00 0.00 0.00 57.88 57.41 3i28 h LEU 428 Cb 0.00 -0.22 0.00 0.00 -0.00 0.00 0.00 40.66 40.44 3i28 h LEU 428 CO 0.00 1.09 0.00 0.49 -0.00 0.00 0.00 178.44 180.02 3i28 n PHE 429 N -4.24 0.83 0.30 1.13 0.99 -1.26 -4.61 117.46 110.60 3i28 n PHE 429 Ca -0.03 -0.71 0.16 0.00 -0.00 0.00 0.00 57.45 56.86 3i28 n PHE 429 Cb 0.48 -0.21 0.94 0.00 -1.00 0.00 0.00 39.48 39.69 3i28 n PHE 429 CO 0.00 0.00 0.00 -0.24 -0.00 0.00 0.00 176.76 176.52 3i28 h VAL 430 N 2.11 0.46 -0.27 -4.37 3.04 -1.92 0.12 116.25 115.42 3i28 h VAL 430 Ca 0.00 -0.06 0.00 0.00 -1.01 0.00 0.00 66.70 65.63 3i28 h VAL 430 Cb 1.19 1.04 0.00 0.00 -2.01 0.00 0.00 31.29 31.51 3i28 h VAL 430 CO 0.15 0.01 0.00 0.59 -1.01 0.00 0.00 177.57 177.31 3i28 n ASN 431 N -3.72 3.48 -4.80 3.17 3.02 -1.26 -5.02 115.26 110.13 3i28 n ASN 431 Ca -0.03 -2.69 -0.31 0.00 -0.03 0.00 0.00 54.58 51.52 3i28 n ASN 431 Cb 0.10 -0.43 -0.06 0.00 -0.61 0.00 0.00 39.78 38.77 3i28 n ASN 431 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 3i28 s SER 432 N -1.67 5.69 0.62 6.41 0.15 0.42 -5.10 113.70 120.22 3i28 s SER 432 Ca 0.35 0.08 -0.17 0.00 0.70 0.00 0.00 55.95 56.91 3i28 s SER 432 Cb 0.26 -1.60 -0.02 0.00 -1.71 0.00 0.00 66.02 62.96 3i28 s SER 432 CO 0.10 0.21 1.14 -2.16 1.20 0.00 0.00 173.24 173.73 3i28 s PRO 433 N -2.19 2.91 0.22 5.44 0.04 -1.26 -4.95 135.00 135.22 3i28 s PRO 433 Ca 0.28 1.55 0.00 0.00 0.04 0.00 0.00 61.00 62.87 3i28 s PRO 433 Cb -0.12 -1.95 0.21 0.00 0.04 0.00 0.00 34.50 32.68 3i28 s PRO 433 CO 0.20 -1.19 1.56 0.93 0.04 0.00 0.00 177.00 178.54 3i28 h GLU 434 N 0.45 0.44 -2.93 4.56 4.39 -1.99 -3.37 114.58 116.14 3i28 h GLU 434 Ca -0.48 -0.26 -0.61 0.00 0.34 0.00 0.00 59.36 58.34 3i28 h GLU 434 Cb 1.26 0.02 -0.41 0.00 -0.10 0.00 0.00 28.75 29.52 3i28 h GLU 434 CO 0.55 0.85 -0.65 -0.85 -1.16 0.00 0.00 179.01 177.75 3i28 n GLU 435 N -3.96 1.56 -1.70 2.33 -0.00 -1.26 -4.76 120.64 112.85 3i28 n GLU 435 Ca -0.02 -4.26 -0.37 0.00 -0.00 0.00 0.00 57.16 52.50 3i28 n GLU 435 Cb 0.57 -2.17 0.06 0.00 -0.00 0.00 0.00 31.44 29.90 3i28 n GLU 435 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.13 174.83 3i28 n PRO 436 N 2.08 1.06 -1.39 3.44 -0.02 -1.26 -4.98 135.00 133.94 3i28 n PRO 436 Ca 0.22 0.42 -0.33 0.00 -2.02 0.00 0.00 63.50 61.79 3i28 n PRO 436 Cb 0.37 -2.44 0.09 0.00 -0.02 0.00 0.00 33.50 31.51 3i28 n PRO 436 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 3i28 s SER 437 N -1.34 4.31 -0.17 2.55 1.04 -1.26 -4.97 113.70 113.87 3i28 s SER 437 Ca 0.81 2.14 -0.29 0.00 0.48 0.00 0.00 55.95 59.09 3i28 s SER 437 Cb -0.39 -2.56 -0.00 0.00 0.10 0.00 0.00 66.02 63.16 3i28 s SER 437 CO 0.42 -2.17 1.05 -0.22 0.98 0.00 0.00 173.24 173.30 3i28 s LEU 438 N -5.41 4.17 0.69 2.42 2.96 -1.26 -4.90 118.68 117.35 3i28 s LEU 438 Ca 0.69 1.48 -0.17 0.00 -0.22 0.00 0.00 54.13 55.92 3i28 s LEU 438 Cb -0.24 -3.55 0.00 0.00 0.50 0.00 0.00 46.19 42.91 3i28 s LEU 438 CO 0.48 -0.58 1.10 -0.24 -1.32 0.00 0.00 176.35 175.78 3i28 n SER 439 N 5.76 1.09 0.10 3.68 2.88 -1.26 -4.90 113.62 120.97 3i28 n SER 439 Ca 0.11 0.73 0.11 0.00 -1.33 0.00 0.00 58.87 58.49 3i28 n SER 439 Cb 0.47 -1.46 0.44 0.00 -0.75 0.00 0.00 64.21 62.91 3i28 n SER 439 CO 0.00 0.00 0.00 -2.11 -1.23 0.00 0.00 175.04 171.70 3i28 n ARG 440 N -1.89 0.14 0.18 -1.46 1.85 -1.26 -2.89 116.66 111.34 3i28 n ARG 440 Ca 0.14 0.37 0.07 0.00 -1.00 0.00 0.00 57.85 57.43 3i28 n ARG 440 Cb 0.49 -1.77 0.24 0.00 -1.05 0.00 0.00 32.46 30.36 3i28 n ARG 440 CO 0.00 0.00 0.00 0.52 -0.01 0.00 0.00 177.63 178.14 3i28 h MET 441 N 0.00 0.00 -5.32 2.89 2.86 -1.90 -3.47 114.93 109.99 3i28 h MET 441 Ca 0.00 0.00 -0.41 0.00 -2.06 0.00 0.00 59.70 57.23 3i28 h MET 441 Cb 0.34 0.00 -0.14 0.00 0.06 0.00 0.00 31.60 31.86 3i28 h MET 441 CO 0.00 0.33 -0.70 0.14 1.06 0.00 0.00 176.91 177.74 3i28 s VAL 442 N -3.31 1.41 0.34 -2.22 -7.23 -1.14 -4.95 120.40 103.30 3i28 s VAL 442 Ca 0.03 -2.11 0.07 0.00 -1.81 0.00 0.00 61.98 58.15 3i28 s VAL 442 Cb 0.09 -2.17 -0.02 0.00 0.56 0.00 0.00 36.38 34.84 3i28 s VAL 442 CO 0.69 -0.50 0.40 0.42 -0.31 0.00 0.00 175.10 175.80 3i28 s THR 443 N -3.17 3.79 0.40 5.32 -4.23 -1.26 -4.72 115.64 111.77 3i28 s THR 443 Ca 0.24 -1.16 0.09 0.00 -1.18 0.00 0.00 61.69 59.68 3i28 s THR 443 Cb 0.03 -3.30 0.30 0.00 1.34 0.00 0.00 72.50 70.87 3i28 s THR 443 CO 0.07 -0.16 2.00 -0.08 -0.54 0.00 0.00 174.62 175.91 3i28 h GLU 444 N 1.04 0.55 -0.38 3.99 4.57 -1.99 -1.76 114.58 120.60 3i28 h GLU 444 Ca -0.45 -0.03 -0.15 0.00 -1.18 0.00 0.00 59.36 57.54 3i28 h GLU 444 Cb 1.26 -0.13 -0.01 0.00 -0.16 0.00 0.00 28.75 29.71 3i28 h GLU 444 CO 0.55 0.37 -0.37 0.93 -1.18 0.00 0.00 179.01 179.31 3i28 h GLU 445 N 0.57 0.90 -0.45 1.92 3.07 -1.99 -1.54 114.58 117.06 3i28 h GLU 445 Ca 0.25 -0.46 -0.05 0.00 -0.50 0.00 0.00 59.36 58.60 3i28 h GLU 445 Cb 0.26 0.01 -0.02 0.00 -0.84 0.00 0.00 28.75 28.16 3i28 h GLU 445 CO -0.07 1.11 0.08 0.93 -1.40 0.00 0.00 179.01 179.65 3i28 h GLU 446 N 0.74 0.75 -0.88 2.33 5.08 -1.82 -1.95 114.58 118.82 3i28 h GLU 446 Ca 0.07 -0.20 0.07 0.00 -1.00 0.00 0.00 59.36 58.30 3i28 h GLU 446 Cb 0.95 -0.09 -0.06 0.00 0.50 0.00 0.00 28.75 30.04 3i28 h GLU 446 CO 0.09 0.76 0.55 0.82 -1.00 0.00 0.00 179.01 180.23 3i28 h ILE 447 N 0.61 1.03 0.00 3.13 1.08 -1.21 -2.01 117.51 120.14 3i28 h ILE 447 Ca 0.14 -0.34 -0.05 0.00 -0.39 0.00 0.00 64.86 64.22 3i28 h ILE 447 Cb 0.38 -0.04 -0.01 0.00 -3.07 0.00 0.00 36.82 34.08 3i28 h ILE 447 CO 0.01 0.18 -0.25 1.56 -0.69 0.00 0.00 178.15 178.96 3i28 h GLN 448 N 0.98 0.00 0.17 2.37 1.08 -1.03 -1.06 115.11 117.63 3i28 h GLN 448 Ca 0.39 0.00 -0.01 0.00 -1.45 0.00 0.00 58.65 57.58 3i28 h GLN 448 Cb 0.21 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.64 3i28 h GLN 448 CO -0.19 0.25 -0.08 0.35 -0.95 0.00 0.00 178.83 178.21 3i28 h PHE 449 N 0.00 -0.22 -0.94 2.96 3.57 -0.61 -0.77 116.94 120.93 3i28 h PHE 449 Ca -0.00 -0.01 0.02 0.00 3.53 0.00 0.00 57.97 61.51 3i28 h PHE 449 Cb 0.75 0.07 -0.05 0.00 2.79 0.00 0.00 35.95 39.52 3i28 h PHE 449 CO 0.00 -0.04 0.62 1.88 -2.23 0.00 0.00 178.31 178.55 3i28 h TYR 450 N -0.36 1.17 -0.05 0.41 -1.99 -1.20 -0.92 116.97 114.04 3i28 h TYR 450 Ca -0.02 0.03 0.03 0.00 2.00 0.00 0.00 58.73 60.77 3i28 h TYR 450 Cb 0.28 -0.40 -0.04 0.00 2.00 0.00 0.00 36.73 38.58 3i28 h TYR 450 CO -0.03 0.72 -0.16 0.28 -0.00 0.00 0.00 178.16 178.97 3i28 h VAL 451 N 1.25 0.60 -0.46 -2.88 2.07 -1.07 -1.74 116.25 114.02 3i28 h VAL 451 Ca 0.36 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.85 3i28 h VAL 451 Cb -0.09 0.60 -0.02 0.00 -1.52 0.00 0.00 31.29 30.25 3i28 h VAL 451 CO -0.09 0.00 0.16 0.06 0.02 0.00 0.00 177.57 177.72 3i28 h GLN 452 N -0.24 0.66 -0.55 1.57 3.07 -0.58 -2.50 115.11 116.54 3i28 h GLN 452 Ca 0.07 -0.10 -0.04 0.00 0.09 0.00 0.00 58.65 58.67 3i28 h GLN 452 Cb 0.33 -0.12 -0.02 0.00 0.08 0.00 0.00 27.48 27.75 3i28 h GLN 452 CO -0.19 0.57 0.20 1.96 0.09 0.00 0.00 178.83 181.46 3i28 h GLN 453 N 0.65 0.83 0.00 0.06 1.08 -0.65 -2.85 115.11 114.23 3i28 h GLN 453 Ca 0.16 -0.16 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 3i28 h GLN 453 Cb 0.17 -0.13 0.00 0.00 -0.05 0.00 0.00 27.48 27.47 3i28 h GLN 453 CO -0.01 0.73 0.00 1.19 -0.95 0.00 0.00 178.83 179.79 3i28 n PHE 454 N -4.49 0.00 0.24 2.96 3.01 -0.70 -3.02 117.46 115.46 3i28 n PHE 454 Ca 0.03 0.00 0.12 0.00 1.01 0.00 0.00 57.45 58.60 3i28 n PHE 454 Cb 0.17 -0.30 0.61 0.00 -0.01 0.00 0.00 39.48 39.95 3i28 n PHE 454 CO 0.00 0.00 0.00 0.87 1.01 0.00 0.00 176.76 178.64 3i28 h LYS 455 N 0.00 0.00 0.08 -1.08 1.57 -1.20 -1.48 116.57 114.46 3i28 h LYS 455 Ca 0.00 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3i28 h LYS 455 Cb 0.29 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.60 3i28 h LYS 455 CO 0.00 0.17 -0.04 -0.22 -0.57 0.00 0.00 179.45 178.79 3i28 h LYS 456 N 0.00 -0.10 0.00 3.15 3.64 -1.69 -3.41 116.57 118.17 3i28 h LYS 456 Ca -0.00 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.39 3i28 h LYS 456 Cb 0.53 0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.37 3i28 h LYS 456 CO 0.02 0.41 -0.15 0.43 -2.27 0.00 0.00 179.45 177.90 3i28 n SER 457 N -4.87 0.73 0.00 4.20 7.64 -1.24 -5.12 113.62 114.96 3i28 n SER 457 Ca -0.08 -0.36 0.00 0.00 1.01 0.00 0.00 58.87 59.44 3i28 n SER 457 Cb 0.28 0.87 0.00 0.00 -1.01 0.00 0.00 64.21 64.35 3i28 n SER 457 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3i28 n GLY 458 N 1.08 0.86 0.66 0.23 0.00 -0.56 -4.18 105.19 103.28 3i28 n GLY 458 Ca 0.00 -0.72 0.08 0.00 0.00 0.00 0.00 46.02 45.38 3i28 n GLY 458 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3i28 n PHE 459 N 2.15 0.10 0.17 1.61 3.01 -1.26 -4.61 117.46 118.64 3i28 n PHE 459 Ca 0.00 -0.08 -0.14 0.00 1.01 0.00 0.00 57.45 58.24 3i28 n PHE 459 Cb 0.00 -0.00 -0.08 0.00 -0.01 0.00 0.00 39.48 39.39 3i28 n PHE 459 CO 0.00 0.00 0.00 -0.09 1.01 0.00 0.00 176.76 177.68 3i28 h ARG 460 N 2.98 -0.35 0.44 -1.08 2.43 -1.94 -0.41 114.38 116.45 3i28 h ARG 460 Ca 0.00 0.02 -0.01 0.00 -0.81 0.00 0.00 59.98 59.18 3i28 h ARG 460 Cb 0.67 0.08 -0.02 0.00 -0.42 0.00 0.00 29.97 30.28 3i28 h ARG 460 CO 0.00 -0.18 -0.38 0.78 -1.51 0.00 0.00 179.97 178.68 3i28 h GLY 461 N -0.44 -0.92 0.30 2.80 0.00 -1.82 -1.31 103.07 101.68 3i28 h GLY 461 Ca -0.04 0.43 0.12 0.00 0.00 0.00 0.00 47.33 47.84 3i28 h GLY 461 CO 0.06 -0.32 0.37 -2.55 0.00 0.00 0.00 176.54 174.10 3i28 h PRO 462 N -0.82 0.56 -0.01 4.80 0.11 -1.72 -1.87 132.00 133.04 3i28 h PRO 462 Ca -0.04 -0.03 -0.09 0.00 0.11 0.00 0.00 66.00 65.94 3i28 h PRO 462 Cb 0.71 -0.13 -0.01 0.00 0.11 0.00 0.00 31.00 31.68 3i28 h PRO 462 CO -0.02 0.37 -0.42 -0.07 -0.21 0.00 0.00 178.00 177.64 3i28 h LEU 463 N 0.57 0.03 -2.71 2.35 3.38 -0.92 -2.75 115.31 115.26 3i28 h LEU 463 Ca 0.41 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.37 3i28 h LEU 463 Cb 0.53 -0.01 -0.00 0.00 0.09 0.00 0.00 40.66 41.27 3i28 h LEU 463 CO -0.34 0.45 0.07 0.78 0.09 0.00 0.00 178.44 179.49 3i28 h ASN 464 N 0.02 0.00 -0.02 -0.43 2.35 -0.36 -0.50 115.58 116.64 3i28 h ASN 464 Ca -0.00 0.00 0.01 0.00 -0.55 0.00 0.00 56.30 55.75 3i28 h ASN 464 Cb 0.76 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 39.13 3i28 h ASN 464 CO 0.06 0.00 0.01 -0.50 -1.65 0.00 0.00 177.43 175.35 3i28 h TRP 465 N 0.00 0.00 -0.00 1.19 4.06 -1.51 -1.40 115.95 118.29 3i28 h TRP 465 Ca 0.01 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.96 3i28 h TRP 465 Cb 0.14 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.30 3i28 h TRP 465 CO 0.00 0.00 -0.24 0.66 -3.56 0.00 0.00 178.44 175.30 3i28 n TYR 466 N -4.31 0.00 -1.15 0.49 4.01 -0.20 -4.31 117.16 111.70 3i28 n TYR 466 Ca -0.03 0.00 -0.08 0.00 -0.16 0.00 0.00 57.90 57.63 3i28 n TYR 466 Cb 0.11 -0.33 0.26 0.00 -0.31 0.00 0.00 39.34 39.06 3i28 n TYR 466 CO 0.00 0.00 0.00 0.54 -0.46 0.00 0.00 176.86 176.94 3i28 n ARG 467 N -1.38 2.99 -1.27 -0.72 1.74 -0.53 -4.25 116.66 113.25 3i28 n ARG 467 Ca 0.08 -3.07 0.03 0.00 -0.77 0.00 0.00 57.85 54.12 3i28 n ARG 467 Cb 0.33 -2.10 0.10 0.00 -1.02 0.00 0.00 32.46 29.76 3i28 n ARG 467 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 3i28 n ASN 468 N -0.59 1.53 0.01 0.55 3.02 -1.26 -4.91 115.26 113.61 3i28 n ASN 468 Ca 0.42 -2.84 -0.10 0.00 -0.03 0.00 0.00 54.58 52.03 3i28 n ASN 468 Cb 1.35 -0.40 -0.04 0.00 -0.61 0.00 0.00 39.78 40.07 3i28 n ASN 468 CO 0.00 0.00 0.00 0.24 -2.62 0.00 0.00 177.26 174.88 3i28 h MET 469 N 1.17 -0.08 -0.59 3.52 2.86 -1.89 0.07 114.93 120.00 3i28 h MET 469 Ca -0.10 0.01 -0.04 0.00 -2.06 0.00 0.00 59.70 57.51 3i28 h MET 469 Cb 1.49 0.02 -0.03 0.00 0.06 0.00 0.00 31.60 33.14 3i28 h MET 469 CO 0.10 -0.05 0.23 1.49 1.06 0.00 0.00 176.91 179.74 3i28 h GLU 470 N -0.08 0.88 -0.39 1.72 4.57 -1.96 -1.39 114.58 117.93 3i28 h GLU 470 Ca 0.06 -0.17 -0.07 0.00 -1.18 0.00 0.00 59.36 58.00 3i28 h GLU 470 Cb 0.16 -0.14 -0.01 0.00 -0.16 0.00 0.00 28.75 28.60 3i28 h GLU 470 CO -0.14 0.76 -0.04 -0.09 -1.18 0.00 0.00 179.01 178.33 3i28 h ARG 471 N 0.81 0.72 -0.65 1.92 2.43 -1.89 -1.39 114.38 116.33 3i28 h ARG 471 Ca 0.19 -0.25 -0.09 0.00 -0.81 0.00 0.00 59.98 59.03 3i28 h ARG 471 Cb 0.22 -0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 29.69 3i28 h ARG 471 CO -0.01 0.83 0.06 -0.91 -1.51 0.00 0.00 179.97 178.43 3i28 h ASN 472 N 0.53 1.06 -0.11 -3.80 2.35 -0.94 -2.40 115.58 112.27 3i28 h ASN 472 Ca 0.11 -0.27 -0.00 0.00 -0.55 0.00 0.00 56.30 55.58 3i28 h ASN 472 Cb 0.53 -0.28 -0.01 0.00 0.05 0.00 0.00 38.32 38.61 3i28 h ASN 472 CO 0.03 1.07 0.06 -0.25 -1.65 0.00 0.00 177.43 176.69 3i28 h TRP 473 N 1.01 0.16 -0.52 1.19 7.01 -1.11 0.14 115.95 123.83 3i28 h TRP 473 Ca 0.19 -0.01 0.06 0.00 2.11 0.00 0.00 58.89 61.25 3i28 h TRP 473 Cb 0.49 -0.05 -0.06 0.00 -2.10 0.00 0.00 29.16 27.44 3i28 h TRP 473 CO 0.04 0.20 0.21 0.87 -2.79 0.00 0.00 178.44 176.97 3i28 h LYS 474 N 0.07 0.39 -0.42 2.65 1.57 -1.22 -0.48 116.57 119.14 3i28 h LYS 474 Ca 0.04 -0.02 -0.09 0.00 -1.87 0.00 0.00 60.65 58.71 3i28 h LYS 474 Cb 0.10 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.31 3i28 h LYS 474 CO -0.01 0.26 -0.09 2.35 -0.57 0.00 0.00 179.45 181.40 3i28 h TRP 475 N 0.41 0.89 -0.10 -1.35 7.01 -1.22 -2.98 115.95 118.61 3i28 h TRP 475 Ca 0.25 -0.19 -0.04 0.00 2.11 0.00 0.00 58.89 61.01 3i28 h TRP 475 Cb 0.24 -0.22 -0.01 0.00 -2.10 0.00 0.00 29.16 27.07 3i28 h TRP 475 CO -0.14 0.91 -0.14 0.00 -2.79 0.00 0.00 178.44 176.27 3i28 h ALA 476 N 0.86 1.58 0.00 2.65 0.00 -0.41 -2.21 119.26 121.73 3i28 h ALA 476 Ca 0.11 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.81 3i28 h ALA 476 Cb 0.62 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.34 3i28 h ALA 476 CO 0.04 0.31 -0.06 0.00 0.00 0.00 0.00 179.25 179.54 3i28 h LYS 478 N 0.00 0.00 -0.32 0.00 1.57 -1.46 -2.37 116.57 113.99 3i28 h LYS 478 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3i28 h LYS 478 Cb 0.11 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.42 3i28 h LYS 478 CO 0.01 0.00 0.00 -1.13 -0.57 0.00 0.00 179.45 177.76 3i28 n SER 479 N -3.10 3.35 0.18 0.86 3.41 -0.35 -4.57 113.62 113.40 3i28 n SER 479 Ca -0.03 -1.99 0.13 0.00 -0.26 0.00 0.00 58.87 56.73 3i28 n SER 479 Cb 0.10 -0.20 0.66 0.00 -0.26 0.00 0.00 64.21 64.50 3i28 n SER 479 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 3i28 h LEU 480 N 4.49 0.00 0.00 1.04 3.38 -1.51 -0.19 115.31 122.52 3i28 h LEU 480 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3i28 h LEU 480 Cb 0.98 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.73 3i28 h LEU 480 CO 0.00 0.00 -0.58 0.61 0.09 0.00 0.00 178.44 178.56 3i28 n GLY 481 N -0.93 -1.22 3.92 0.83 0.00 -1.26 -4.97 105.19 101.56 3i28 n GLY 481 Ca -0.01 -0.38 -0.26 0.00 0.00 0.00 0.00 46.02 45.37 3i28 n GLY 481 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3i28 s ARG 482 N -3.01 2.99 0.17 1.61 0.52 -0.08 -5.11 118.95 116.04 3i28 s ARG 482 Ca 0.10 -0.05 0.08 0.00 -0.52 0.00 0.00 55.73 55.35 3i28 s ARG 482 Cb 0.17 -2.32 -0.04 0.00 0.52 0.00 0.00 34.95 33.28 3i28 s ARG 482 CO 0.72 -0.61 -0.17 0.15 0.02 0.00 0.00 175.30 175.42 3i28 s LYS 483 N -4.92 1.28 -0.29 3.54 1.02 -1.26 -5.01 119.74 114.10 3i28 s LYS 483 Ca 0.53 -1.44 -0.18 0.00 0.02 0.00 0.00 55.97 54.89 3i28 s LYS 483 Cb -0.10 -1.27 -0.02 0.00 -0.52 0.00 0.00 37.83 35.91 3i28 s LYS 483 CO 0.44 0.25 0.54 0.42 -0.92 0.00 0.00 175.35 176.08 3i28 s ILE 484 N -2.24 5.03 0.00 2.17 1.01 -0.34 -4.91 121.20 121.93 3i28 s ILE 484 Ca 0.17 0.76 0.00 0.00 0.00 0.00 0.00 60.65 61.58 3i28 s ILE 484 Cb -0.05 -3.89 0.00 0.00 0.01 0.00 0.00 42.46 38.54 3i28 s ILE 484 CO 0.07 -0.02 0.67 0.18 0.00 0.00 0.00 174.94 175.84 3i28 n LEU 485 N 5.65 1.24 -4.92 2.97 4.77 -1.26 -4.33 117.00 121.11 3i28 n LEU 485 Ca -0.04 -1.24 -0.26 0.00 -0.03 0.00 0.00 56.01 54.44 3i28 n LEU 485 Cb 0.49 0.00 0.03 0.00 -2.33 0.00 0.00 43.42 41.62 3i28 n LEU 485 CO 0.42 0.31 0.53 0.27 -1.33 0.00 0.00 177.39 177.60 3i28 s ILE 486 N -0.43 3.50 0.18 -0.08 -4.36 -1.26 -5.01 121.20 113.75 3i28 s ILE 486 Ca 0.00 -0.05 -0.33 0.00 -0.26 0.00 0.00 60.65 60.01 3i28 s ILE 486 Cb 0.00 -3.40 -0.13 0.00 1.25 0.00 0.00 42.46 40.18 3i28 s ILE 486 CO 0.00 -0.41 1.59 -2.65 0.24 0.00 0.00 174.94 173.71 3i28 n PRO 487 N -2.60 2.27 -3.86 0.37 -0.02 -1.26 -4.89 135.00 125.00 3i28 n PRO 487 Ca 0.05 0.82 -0.12 0.00 -2.02 0.00 0.00 63.50 62.23 3i28 n PRO 487 Cb 0.58 -2.59 -0.12 0.00 -0.02 0.00 0.00 33.50 31.35 3i28 n PRO 487 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3i28 s ALA 488 N 0.85 -0.27 -0.04 3.55 0.00 -1.26 -1.45 121.76 123.15 3i28 s ALA 488 Ca 0.77 0.11 0.01 0.00 0.00 0.00 0.00 51.96 52.85 3i28 s ALA 488 Cb -0.64 -0.07 0.02 0.00 0.00 0.00 0.00 23.12 22.42 3i28 s ALA 488 CO 0.38 -0.12 -0.05 -1.17 0.00 0.00 0.00 175.76 174.81 3i28 s LEU 489 N -0.54 1.45 -0.22 0.00 0.20 -0.36 -1.54 118.68 117.68 3i28 s LEU 489 Ca -0.06 -0.12 -0.02 0.00 0.69 0.00 0.00 54.13 54.62 3i28 s LEU 489 Cb -0.04 -0.42 0.01 0.00 -0.43 0.00 0.00 46.19 45.31 3i28 s LEU 489 CO 0.00 -0.03 -0.10 -0.32 -0.29 0.00 0.00 176.35 175.62 3i28 s MET 490 N 0.71 3.06 -0.25 1.98 -2.45 -0.28 -1.57 119.30 120.50 3i28 s MET 490 Ca -0.09 -0.82 -0.07 0.00 -1.25 0.00 0.00 55.69 53.46 3i28 s MET 490 Cb -0.12 -2.87 -0.02 0.00 1.25 0.00 0.00 34.83 33.06 3i28 s MET 490 CO 0.00 -0.28 0.05 0.08 1.05 0.00 0.00 175.02 175.93 3i28 s VAL 491 N 1.37 4.10 0.13 10.11 1.01 -0.40 -0.81 120.40 135.90 3i28 s VAL 491 Ca 0.03 -0.32 0.02 0.00 0.00 0.00 0.00 61.98 61.72 3i28 s VAL 491 Cb -0.15 -2.94 -0.04 0.00 0.00 0.00 0.00 36.38 33.25 3i28 s VAL 491 CO -0.07 0.31 0.26 0.42 0.00 0.00 0.00 175.10 176.02 3i28 s THR 492 N 1.57 5.31 -0.17 3.92 -4.23 -0.47 -0.17 115.64 121.40 3i28 s THR 492 Ca 0.06 -0.63 0.01 0.00 -1.18 0.00 0.00 61.69 59.94 3i28 s THR 492 Cb -0.15 -3.70 0.02 0.00 1.34 0.00 0.00 72.50 70.01 3i28 s THR 492 CO 0.02 -0.04 -0.17 0.00 -0.54 0.00 0.00 174.62 173.89 3i28 s ALA 493 N -1.69 2.14 0.27 3.99 0.00 -1.26 -0.87 121.76 124.34 3i28 s ALA 493 Ca 0.34 -1.10 0.00 0.00 0.00 0.00 0.00 51.96 51.21 3i28 s ALA 493 Cb -0.11 -1.13 0.58 0.00 0.00 0.00 0.00 23.12 22.45 3i28 s ALA 493 CO 0.28 -0.37 1.76 1.49 0.00 0.00 0.00 175.76 178.92 3i28 h GLU 494 N 7.98 0.62 -0.48 0.00 4.81 -1.32 -2.76 114.58 123.44 3i28 h GLU 494 Ca -0.43 -0.04 -0.17 0.00 -0.13 0.00 0.00 59.36 58.59 3i28 h GLU 494 Cb 1.14 -0.14 -0.10 0.00 0.63 0.00 0.00 28.75 30.27 3i28 h GLU 494 CO 0.59 0.41 0.10 1.63 -0.73 0.00 0.00 179.01 181.02 3i28 n LYS 495 N -4.86 2.60 -2.73 1.92 4.76 0.47 -4.77 118.16 115.56 3i28 n LYS 495 Ca 0.18 -3.05 -0.43 0.00 -2.87 0.00 0.00 58.31 52.15 3i28 n LYS 495 Cb 0.47 -1.95 -0.03 0.00 -1.84 0.00 0.00 35.03 31.67 3i28 n LYS 495 CO 0.00 0.00 0.00 0.34 -1.37 0.00 0.00 177.40 176.37 3i28 s ASP 496 N -1.91 6.61 0.00 4.39 -1.08 -1.04 -4.24 116.67 119.40 3i28 s ASP 496 Ca 0.48 0.39 0.23 0.00 -0.52 0.00 0.00 52.55 53.13 3i28 s ASP 496 Cb 0.40 -2.49 0.80 0.00 -1.46 0.00 0.00 42.92 40.17 3i28 s ASP 496 CO 0.07 -1.08 1.59 0.49 0.52 0.00 0.00 175.17 176.76 3i28 n PHE 497 N 7.32 0.16 -0.03 -5.34 0.99 -1.26 -3.34 117.46 115.95 3i28 n PHE 497 Ca 0.09 -0.08 -0.08 0.00 -0.00 0.00 0.00 57.45 57.38 3i28 n PHE 497 Cb 0.48 0.00 -0.03 0.00 -1.00 0.00 0.00 39.48 38.94 3i28 n PHE 497 CO 0.00 0.00 0.00 0.28 -0.00 0.00 0.00 176.76 177.04 3i28 n VAL 498 N 0.39 0.85 -2.76 -4.37 0.31 -1.26 -4.77 118.33 106.71 3i28 n VAL 498 Ca 0.17 0.02 -0.43 0.00 -0.01 0.00 0.00 64.34 64.09 3i28 n VAL 498 Cb 0.36 -1.73 0.00 0.00 -0.91 0.00 0.00 33.84 31.57 3i28 n VAL 498 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 3i28 n LEU 499 N -3.61 6.11 -4.79 7.52 4.77 -1.25 -5.01 117.00 120.74 3i28 n LEU 499 Ca -0.15 -4.78 -0.35 0.00 -0.03 0.00 0.00 56.01 50.70 3i28 n LEU 499 Cb 0.48 -1.47 -0.04 0.00 -2.33 0.00 0.00 43.42 40.06 3i28 n LEU 499 CO 0.04 1.29 0.73 0.54 -1.33 0.00 0.00 177.39 178.65 3i28 s VAL 500 N -0.25 3.73 0.48 4.08 0.11 -1.21 -4.68 120.40 122.66 3i28 s VAL 500 Ca 0.37 1.18 0.19 0.00 -2.93 0.00 0.00 61.98 60.79 3i28 s VAL 500 Cb 0.03 -3.54 0.35 0.00 -1.53 0.00 0.00 36.38 31.69 3i28 s VAL 500 CO 0.02 -0.13 2.00 -0.65 -3.33 0.00 0.00 175.10 173.01 3i28 h PRO 501 N 1.95 0.19 0.00 1.54 0.11 -1.81 -1.81 132.00 132.17 3i28 h PRO 501 Ca -0.49 -0.01 -0.00 0.00 0.11 0.00 0.00 66.00 65.60 3i28 h PRO 501 Cb 1.22 -0.04 -0.00 0.00 0.11 0.00 0.00 31.00 32.29 3i28 h PRO 501 CO 0.60 0.13 -0.02 -0.56 -0.21 0.00 0.00 178.00 177.94 3i28 h GLN 502 N 0.20 0.00 0.00 1.05 -0.00 -1.97 -2.20 115.11 112.19 3i28 h GLN 502 Ca 0.24 0.00 -0.00 0.00 -0.00 0.00 0.00 58.65 58.89 3i28 h GLN 502 Cb 0.69 0.00 -0.00 0.00 -0.00 0.00 0.00 27.48 28.17 3i28 h GLN 502 CO -0.04 0.02 -0.01 0.52 -0.00 0.00 0.00 178.83 179.32 3i28 h MET 503 N 0.00 0.00 -0.05 0.06 2.86 -1.70 -2.21 114.93 113.89 3i28 h MET 503 Ca -0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 3i28 h MET 503 Cb 0.41 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.07 3i28 h MET 503 CO 0.00 0.01 0.00 -1.13 1.06 0.00 0.00 176.91 176.85 3i28 n SER 504 N -3.24 2.17 0.06 1.22 3.41 -0.83 -4.61 113.62 111.80 3i28 n SER 504 Ca -0.02 -1.73 0.18 0.00 -0.26 0.00 0.00 58.87 57.04 3i28 n SER 504 Cb 0.12 -0.02 0.70 0.00 -0.26 0.00 0.00 64.21 64.74 3i28 n SER 504 CO 0.00 0.00 0.00 0.06 -0.16 0.00 0.00 175.04 174.94 3i28 h GLN 505 N 3.32 0.00 -0.36 4.33 3.07 -1.55 -2.43 115.11 121.50 3i28 h GLN 505 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.74 3i28 h GLN 505 Cb 0.71 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.27 3i28 h GLN 505 CO 0.00 0.00 0.00 0.72 0.09 0.00 0.00 178.83 179.64 3i28 n HIS 506 N -4.33 0.47 0.13 0.06 8.25 -1.26 -4.60 115.22 113.94 3i28 n HIS 506 Ca 0.07 -0.25 0.15 0.00 -0.26 0.00 0.00 57.72 57.44 3i28 n HIS 506 Cb 0.51 -0.00 0.71 0.00 1.12 0.00 0.00 29.99 32.33 3i28 n HIS 506 CO 0.00 0.00 0.00 0.52 0.64 0.00 0.00 176.34 177.50 3i28 h MET 507 N 4.31 0.00 0.00 -0.41 2.86 -1.72 -0.67 114.93 119.30 3i28 h MET 507 Ca 0.00 0.00 -0.00 0.00 -2.06 0.00 0.00 59.70 57.64 3i28 h MET 507 Cb 0.96 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.62 3i28 h MET 507 CO 0.00 0.00 -0.01 0.93 1.06 0.00 0.00 176.91 178.89 3i28 h GLU 508 N 0.00 0.00 -0.26 1.72 4.39 -1.81 0.67 114.58 119.29 3i28 h GLU 508 Ca 0.13 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.82 3i28 h GLU 508 Cb 0.55 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.19 3i28 h GLU 508 CO -0.00 0.01 0.11 -0.44 -1.16 0.00 0.00 179.01 177.52 3i28 h ASP 509 N 0.00 0.31 0.00 1.42 3.32 -1.48 -3.02 116.42 116.98 3i28 h ASP 509 Ca -0.00 -0.02 -0.07 0.00 0.02 0.00 0.00 57.03 56.96 3i28 h ASP 509 Cb 0.03 -0.08 -0.01 0.00 0.22 0.00 0.00 39.33 39.48 3i28 h ASP 509 CO 0.00 0.29 -1.94 0.79 -1.72 0.00 0.00 179.24 176.66 3i28 n TRP 510 N -4.43 0.00 -3.41 4.55 7.02 -0.29 -4.71 117.44 116.16 3i28 n TRP 510 Ca 0.01 0.00 -0.26 0.00 -1.02 0.00 0.00 57.50 56.23 3i28 n TRP 510 Cb 0.12 -0.53 -0.09 0.00 -2.42 0.00 0.00 31.31 28.39 3i28 n TRP 510 CO 0.00 0.00 0.00 -0.89 -2.02 0.00 0.00 177.69 174.78 3i28 n ILE 511 N -2.27 0.09 -0.28 -0.99 5.41 0.07 -1.19 119.36 120.19 3i28 n ILE 511 Ca -0.09 -4.19 0.10 0.00 1.00 0.00 0.00 62.75 59.57 3i28 n ILE 511 Cb 0.62 -1.93 0.26 0.00 -0.71 0.00 0.00 39.64 37.88 3i28 n ILE 511 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 176.55 175.90 3i28 h PRO 512 N 4.75 0.29 -0.64 0.38 0.11 -1.72 -0.99 132.00 134.18 3i28 h PRO 512 Ca 0.17 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.26 3i28 h PRO 512 Cb 0.83 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 31.87 3i28 h PRO 512 CO 0.54 0.19 0.00 0.72 -0.21 0.00 0.00 178.00 179.25 3i28 n HIS 513 N -5.14 1.41 -1.57 0.65 8.25 -1.26 -4.98 115.22 112.58 3i28 n HIS 513 Ca 0.19 -0.54 -0.50 0.00 -0.26 0.00 0.00 57.72 56.60 3i28 n HIS 513 Cb 0.59 -0.27 -0.05 0.00 1.12 0.00 0.00 29.99 31.39 3i28 n HIS 513 CO 0.00 0.00 0.00 -0.11 0.64 0.00 0.00 176.34 176.87 3i28 n LEU 514 N 0.89 1.34 -4.89 2.41 -0.00 -0.37 -4.75 117.00 111.62 3i28 n LEU 514 Ca 0.23 1.14 -0.26 0.00 -0.00 0.00 0.00 56.01 57.11 3i28 n LEU 514 Cb 0.85 -1.18 -0.04 0.00 -0.00 0.00 0.00 43.42 43.05 3i28 n LEU 514 CO 0.23 -1.35 -0.14 -0.54 -0.00 0.00 0.00 177.39 175.58 3i28 s LYS 515 N -0.18 3.24 0.12 1.96 -0.14 -0.59 -5.02 119.74 119.12 3i28 s LYS 515 Ca 0.77 -0.69 0.05 0.00 -1.36 0.00 0.00 55.97 54.74 3i28 s LYS 515 Cb -0.91 -2.85 -0.04 0.00 -1.68 0.00 0.00 37.83 32.36 3i28 s LYS 515 CO 0.51 0.51 -0.13 1.03 -0.76 0.00 0.00 175.35 176.51 3i28 s ARG 516 N -3.17 0.98 0.14 1.68 0.52 -1.26 -1.12 118.95 116.72 3i28 s ARG 516 Ca 0.33 -1.22 0.03 0.00 -0.52 0.00 0.00 55.73 54.36 3i28 s ARG 516 Cb -0.11 -0.81 -0.04 0.00 0.52 0.00 0.00 34.95 34.50 3i28 s ARG 516 CO 0.27 0.15 -0.07 0.20 0.02 0.00 0.00 175.30 175.87 3i28 s GLY 517 N -2.44 1.02 -0.14 -3.53 0.00 0.01 -4.92 107.32 97.32 3i28 s GLY 517 Ca 0.08 -1.48 -0.09 0.00 0.00 0.00 0.00 44.72 43.24 3i28 s GLY 517 CO 0.02 -1.55 0.34 -1.58 0.00 0.00 0.00 173.10 170.34 3i28 s HIS 518 N -3.47 -0.45 -0.26 1.90 5.04 -1.26 -1.37 115.29 115.42 3i28 s HIS 518 Ca 0.17 1.03 0.00 0.00 -1.54 0.00 0.00 55.06 54.71 3i28 s HIS 518 Cb 0.04 0.16 0.04 0.00 0.04 0.00 0.00 32.58 32.86 3i28 s HIS 518 CO -0.00 -0.26 -0.08 0.42 -2.34 0.00 0.00 174.74 172.48 3i28 s ILE 519 N 1.01 2.60 0.59 0.89 1.01 -0.05 -4.96 121.20 122.28 3i28 s ILE 519 Ca -0.07 -1.28 -0.08 0.00 0.00 0.00 0.00 60.65 59.22 3i28 s ILE 519 Cb -0.07 -2.40 -0.02 0.00 0.01 0.00 0.00 42.46 39.98 3i28 s ILE 519 CO -0.08 0.10 0.94 -1.83 0.00 0.00 0.00 174.94 174.08 3i28 s GLU 520 N 1.24 3.35 -1.54 2.79 -1.05 -1.26 -1.58 118.70 120.65 3i28 s GLU 520 Ca -0.03 0.41 0.00 0.00 -0.15 0.00 0.00 54.97 55.19 3i28 s GLU 520 Cb -0.18 -2.19 0.00 0.00 -0.44 0.00 0.00 34.13 31.32 3i28 s GLU 520 CO -0.05 -0.56 0.00 -3.47 0.95 0.00 0.00 175.26 172.14 3i28 n ASP 521 N -2.61 -4.87 -4.36 0.83 2.03 -1.26 -4.87 116.55 101.44 3i28 n ASP 521 Ca 0.04 0.17 -0.34 0.00 0.52 0.00 0.00 54.79 55.18 3i28 n ASP 521 Cb 0.55 -4.16 -0.14 0.00 -0.72 0.00 0.00 41.12 36.66 3i28 n ASP 521 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3i28 n GLY 523 N 4.13 -0.21 0.22 0.00 0.00 -1.26 -0.39 105.19 107.67 3i28 n GLY 523 Ca -0.18 -1.72 -0.02 0.00 0.00 0.00 0.00 46.02 44.10 3i28 n GLY 523 CO 0.00 0.00 0.00 0.84 0.00 0.00 0.00 173.32 174.16 3i28 h HIS 524 N -0.07 0.36 -1.00 1.61 -0.00 -1.89 -3.36 115.15 110.80 3i28 h HIS 524 Ca 0.00 -0.08 -0.74 0.00 -0.00 0.00 0.00 60.37 59.55 3i28 h HIS 524 Cb 0.00 -0.09 -0.11 0.00 -0.00 0.00 0.00 27.41 27.21 3i28 h HIS 524 CO 0.00 0.61 2.52 0.91 -0.00 0.00 0.00 177.93 181.97 3i28 n TRP 525 N -4.09 2.76 -0.32 5.26 7.02 -1.26 -4.80 117.44 122.01 3i28 n TRP 525 Ca -0.01 -2.86 0.05 0.00 -1.02 0.00 0.00 57.50 53.66 3i28 n TRP 525 Cb 0.43 -2.01 0.20 0.00 -2.42 0.00 0.00 31.31 27.50 3i28 n TRP 525 CO 0.00 0.00 0.00 1.15 -2.02 0.00 0.00 177.69 176.82 3i28 h THR 526 N 3.17 0.89 -0.40 -0.99 2.02 -1.97 -0.17 112.91 115.47 3i28 h THR 526 Ca 0.60 -0.29 -0.09 0.00 0.77 0.00 0.00 66.41 67.41 3i28 h THR 526 Cb 0.44 -0.03 -0.02 0.00 -1.74 0.00 0.00 68.15 66.81 3i28 h THR 526 CO 1.60 0.16 -0.10 1.56 0.37 0.00 0.00 175.52 179.11 3i28 h GLN 527 N 0.85 0.71 0.00 6.66 7.50 -1.87 -1.85 115.11 127.11 3i28 h GLN 527 Ca 0.44 -0.22 0.00 0.00 0.50 0.00 0.00 58.65 59.37 3i28 h GLN 527 Cb 0.44 -0.07 0.00 0.00 0.05 0.00 0.00 27.48 27.90 3i28 h GLN 527 CO -0.27 0.79 -1.37 0.00 -1.50 0.00 0.00 178.83 176.49 3i28 n MET 528 N -4.18 0.46 0.07 1.46 0.00 -1.00 -3.05 117.12 110.88 3i28 n MET 528 Ca 0.01 -0.08 -0.10 0.00 0.00 0.00 0.00 57.70 57.54 3i28 n MET 528 Cb 0.35 -1.47 -0.07 0.00 0.00 0.00 0.00 33.22 32.03 3i28 n MET 528 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 175.97 176.19 3i28 h ASP 529 N 0.00 -0.22 -2.14 3.17 1.82 -0.85 -3.40 116.42 114.80 3i28 h ASP 529 Ca 0.00 -0.27 -0.56 0.00 -0.39 0.00 0.00 57.03 55.81 3i28 h ASP 529 Cb 0.67 0.06 -0.41 0.00 0.68 0.00 0.00 39.33 40.33 3i28 h ASP 529 CO 0.00 0.32 -0.85 0.29 -1.61 0.00 0.00 179.24 177.39 3i28 n LYS 530 N -4.95 2.06 -0.15 0.28 4.76 -0.71 -4.97 118.16 114.49 3i28 n LYS 530 Ca -0.07 -4.16 -0.06 0.00 -2.87 0.00 0.00 58.31 51.15 3i28 n LYS 530 Cb 0.24 -1.93 0.03 0.00 -1.84 0.00 0.00 35.03 31.53 3i28 n LYS 530 CO 0.00 0.00 0.00 -1.00 -1.37 0.00 0.00 177.40 175.03 3i28 h PRO 531 N 3.44 0.50 -0.50 1.97 0.13 -1.69 -0.70 132.00 135.15 3i28 h PRO 531 Ca 0.13 -0.03 0.06 0.00 -0.87 0.00 0.00 66.00 65.29 3i28 h PRO 531 Cb 0.72 -0.11 -0.05 0.00 0.13 0.00 0.00 31.00 31.69 3i28 h PRO 531 CO 0.68 0.33 0.20 1.15 -0.23 0.00 0.00 178.00 180.14 3i28 h THR 532 N 0.52 0.86 -0.13 1.56 2.02 -1.93 0.23 112.91 116.04 3i28 h THR 532 Ca 0.19 -0.14 -0.22 0.00 0.77 0.00 0.00 66.41 67.01 3i28 h THR 532 Cb 0.05 0.43 0.01 0.00 -1.74 0.00 0.00 68.15 66.90 3i28 h THR 532 CO -0.10 0.07 -0.79 1.05 0.37 0.00 0.00 175.52 176.12 3i28 h GLU 533 N 0.40 0.73 -0.35 6.66 9.09 -1.90 -1.92 114.58 127.28 3i28 h GLU 533 Ca 0.24 -0.61 0.07 0.00 0.05 0.00 0.00 59.36 59.11 3i28 h GLU 533 Cb 0.22 0.13 -0.06 0.00 -1.65 0.00 0.00 28.75 27.39 3i28 h GLU 533 CO -0.22 1.21 -0.06 0.28 0.05 0.00 0.00 179.01 180.28 3i28 h VAL 534 N 0.49 0.68 -0.62 -1.06 2.07 -0.92 -1.13 116.25 115.77 3i28 h VAL 534 Ca -0.05 -0.01 -0.01 0.00 0.82 0.00 0.00 66.70 67.44 3i28 h VAL 534 Cb 1.41 0.64 -0.03 0.00 -1.52 0.00 0.00 31.29 31.79 3i28 h VAL 534 CO 0.16 0.01 0.35 0.78 0.02 0.00 0.00 177.57 178.88 3i28 h ASN 535 N 0.04 0.76 -0.37 0.57 2.35 -0.81 -0.58 115.58 117.53 3i28 h ASN 535 Ca 0.17 -0.09 0.00 0.00 -0.55 0.00 0.00 56.30 55.84 3i28 h ASN 535 Cb 0.26 -0.19 -0.02 0.00 0.05 0.00 0.00 38.32 38.41 3i28 h ASN 535 CO -0.34 0.63 0.24 -0.61 -1.65 0.00 0.00 177.43 175.70 3i28 h GLN 536 N 0.84 0.50 -0.09 0.81 -0.00 -1.10 -0.98 115.11 115.08 3i28 h GLN 536 Ca 0.22 -0.03 -0.00 0.00 -0.00 0.00 0.00 58.65 58.83 3i28 h GLN 536 Cb 0.03 -0.11 -0.00 0.00 0.00 0.00 0.00 27.48 27.39 3i28 h GLN 536 CO -0.04 0.34 0.04 0.82 0.00 0.00 0.00 178.83 180.00 3i28 h ILE 537 N 0.50 1.11 -0.44 2.39 2.04 -0.80 -2.19 117.51 120.11 3i28 h ILE 537 Ca 0.14 -0.33 -0.03 0.00 1.00 0.00 0.00 64.86 65.64 3i28 h ILE 537 Cb -0.04 1.18 -0.02 0.00 -0.74 0.00 0.00 36.82 37.20 3i28 h ILE 537 CO -0.03 0.10 0.16 -0.07 0.00 0.00 0.00 178.15 178.31 3i28 h LEU 538 N 0.01 0.62 -0.40 1.44 3.38 -1.04 -2.12 115.31 117.21 3i28 h LEU 538 Ca 0.03 -0.18 -0.08 0.00 0.09 0.00 0.00 57.88 57.73 3i28 h LEU 538 Cb 0.12 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.70 3i28 h LEU 538 CO -0.00 0.64 -0.08 0.40 0.09 0.00 0.00 178.44 179.48 3i28 h ILE 539 N 0.57 1.27 -0.64 1.22 2.04 -1.15 0.15 117.51 120.98 3i28 h ILE 539 Ca 0.15 -1.16 0.04 0.00 1.00 0.00 0.00 64.86 64.89 3i28 h ILE 539 Cb 0.22 1.20 -0.05 0.00 -0.74 0.00 0.00 36.82 37.45 3i28 h ILE 539 CO -0.01 0.39 0.38 0.50 0.00 0.00 0.00 178.15 179.41 3i28 h LYS 540 N 0.58 0.70 -0.33 2.37 3.64 -1.38 -1.55 116.57 120.60 3i28 h LYS 540 Ca 0.10 -0.04 -0.13 0.00 -1.27 0.00 0.00 60.65 59.31 3i28 h LYS 540 Cb 0.60 -0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 32.25 3i28 h LYS 540 CO 0.04 0.46 -0.29 2.35 -2.27 0.00 0.00 179.45 179.74 3i28 h TRP 541 N 0.72 0.93 -0.30 1.91 7.01 -1.02 -2.16 115.95 123.04 3i28 h TRP 541 Ca 0.27 -0.27 0.03 0.00 2.11 0.00 0.00 58.89 61.03 3i28 h TRP 541 Cb 0.10 -0.20 -0.03 0.00 -2.10 0.00 0.00 29.16 26.93 3i28 h TRP 541 CO -0.06 1.04 0.13 -0.07 -2.79 0.00 0.00 178.44 176.68 3i28 h LEU 542 N 0.56 0.18 -1.48 0.65 3.38 -0.53 0.14 115.31 118.22 3i28 h LEU 542 Ca 0.06 0.02 -0.04 0.00 0.09 0.00 0.00 57.88 58.01 3i28 h LEU 542 Cb 0.86 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.60 3i28 h LEU 542 CO 0.07 0.14 -0.21 0.44 0.09 0.00 0.00 178.44 178.97 3i28 h ASP 543 N 0.28 0.00 0.01 -0.43 3.32 -1.22 0.99 116.42 119.36 3i28 h ASP 543 Ca 0.13 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.18 3i28 h ASP 543 Cb 0.07 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.62 3i28 h ASP 543 CO -0.11 0.21 -0.00 -1.28 -1.72 0.00 0.00 179.24 176.34 3i28 h SER 544 N 0.00 -0.01 0.00 6.45 0.87 -0.90 -3.37 113.55 116.60 3i28 h SER 544 Ca -0.00 -0.71 0.00 0.00 -1.23 0.00 0.00 61.79 59.85 3i28 h SER 544 Cb 0.57 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.53 3i28 h SER 544 CO 0.03 0.84 -0.74 0.47 -0.53 0.00 0.00 176.83 176.89 3i28 n ASP 545 N -4.67 1.61 -0.00 6.23 10.43 0.44 -4.48 116.55 126.10 3i28 n ASP 545 Ca -0.07 -0.38 -0.01 0.00 2.57 0.00 0.00 54.79 56.89 3i28 n ASP 545 Cb 0.35 1.14 -0.00 0.00 1.84 0.00 0.00 41.12 44.44 3i28 n ASP 545 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 3i28 n ALA 546 N -1.41 1.72 0.19 2.24 0.00 -0.19 -4.73 120.51 118.34 3i28 n ALA 546 Ca 0.00 -0.20 0.18 0.00 0.00 0.00 0.00 53.44 53.42 3i28 n ALA 546 Cb 0.14 0.05 0.79 0.00 0.00 0.00 0.00 19.45 20.42 3i28 n ALA 546 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 3i28 h ARG 547 N -0.15 0.00 0.00 0.00 9.65 -1.13 -3.50 114.38 119.26 3i28 h ARG 547 Ca 0.00 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.88 3i28 h ARG 547 Cb 0.15 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 28.73 3i28 h ARG 547 CO 0.00 0.00 0.00 -1.71 2.80 0.00 0.00 179.97 181.06